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 1tzz_1_B DATA FIRST_RESID 2005 DATA SEQUENCE SVRIVDVREI TKPISSXXXX XXXXXTKMTT SLVAVVTDVV REGKRVVGYG DATA SEQUENCE FNSNGRYGQG GLIRERFASR ILEADPKKLL NEAGDNLDPD KVWAAMMINE DATA SEQUENCE KPGGHGERSV AVGTIDMAVW DAVAKIAGKP LFRLLAERHG VKANPRVFVY DATA SEQUENCE AAGGYYYPGK GLSMLRGEMR GYLDRGYNVV KMKIGGAPIE EDRMRIEAVL DATA SEQUENCE EEIGKDAQLA VDANGRFNLE TGIAYAKMLR DYPLFWYEEV GDPLDYALQA DATA SEQUENCE ALAEFYPGPM ATGENLFSHQ DARNLLRYGG MRPDRDWLQF DCALSYGLCE DATA SEQUENCE YQRTLEVLKT HGWSPSRCIP HGGHQMSLNI AAGLGLGGNE SYPDLFQPYG DATA SEQUENCE GFPDGVRVEN GHITMPDLPG IGFEGKSDLY KEMKALAE 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 2005 S HA 0.000 nan 4.470 nan 0.000 0.327 2005 S C 0.000 174.597 174.600 -0.006 0.000 1.055 2005 S CA 0.000 58.198 58.200 -0.004 0.000 1.107 2005 S CB 0.000 63.199 63.200 -0.002 0.000 0.593 2006 V N 6.169 126.078 119.914 -0.009 0.000 2.409 2006 V HA 0.777 4.897 4.120 0.001 0.000 0.290 2006 V C -0.180 175.907 176.094 -0.013 0.000 1.017 2006 V CA -0.548 61.745 62.300 -0.012 0.000 0.841 2006 V CB 1.198 33.011 31.823 -0.017 0.000 1.003 2006 V HN 0.936 nan 8.190 nan 0.000 0.426 2007 R N 4.095 124.588 120.500 -0.012 0.000 2.680 2007 R HA 0.700 5.040 4.340 0.001 0.000 0.269 2007 R C -1.741 174.552 176.300 -0.011 0.000 1.026 2007 R CA -0.972 55.122 56.100 -0.011 0.000 0.889 2007 R CB 1.829 32.125 30.300 -0.007 0.000 1.241 2007 R HN 0.441 nan 8.270 nan 0.000 0.463 2008 I N 3.295 123.858 120.570 -0.011 0.000 2.322 2008 I HA 0.113 4.283 4.170 0.001 0.000 0.292 2008 I C 0.726 176.840 176.117 -0.004 0.000 1.060 2008 I CA -0.570 60.724 61.300 -0.010 0.000 1.309 2008 I CB 1.784 39.779 38.000 -0.009 0.000 1.415 2008 I HN 0.522 nan 8.210 nan 0.000 0.492 2009 V N 4.121 124.032 119.914 -0.004 0.000 3.052 2009 V HA 0.070 4.191 4.120 0.001 0.000 0.254 2009 V C 0.224 176.320 176.094 0.003 0.000 1.100 2009 V CA 1.087 63.387 62.300 0.000 0.000 1.112 2009 V CB -0.440 31.384 31.823 0.002 0.000 0.738 2009 V HN 0.795 nan 8.190 nan 0.000 0.469 2010 D N -1.841 118.561 120.400 0.003 0.000 2.663 2010 D HA 0.377 5.018 4.640 0.001 0.000 0.233 2010 D C -1.542 174.764 176.300 0.010 0.000 1.240 2010 D CA -0.164 53.842 54.000 0.009 0.000 0.774 2010 D CB 2.548 43.355 40.800 0.012 0.000 1.443 2010 D HN -0.206 nan 8.370 nan 0.000 0.441 2011 V N 3.251 123.177 119.914 0.019 0.000 2.385 2011 V HA 0.481 4.601 4.120 0.001 0.000 0.277 2011 V C 0.083 176.200 176.094 0.038 0.000 1.012 2011 V CA -0.640 61.676 62.300 0.028 0.000 0.832 2011 V CB 1.186 33.030 31.823 0.035 0.000 1.028 2011 V HN 0.383 nan 8.190 nan 0.000 0.436 2012 R N 2.713 123.240 120.500 0.045 0.000 2.573 2012 R HA 0.765 5.105 4.340 0.001 0.000 0.272 2012 R C -0.470 175.871 176.300 0.069 0.000 1.009 2012 R CA -0.643 55.490 56.100 0.054 0.000 1.059 2012 R CB 1.865 32.201 30.300 0.061 0.000 1.112 2012 R HN 0.626 nan 8.270 nan 0.000 0.517 2013 E N 2.361 122.599 120.200 0.063 0.000 2.372 2013 E HA 0.366 4.716 4.350 0.001 0.000 0.279 2013 E C -1.713 174.920 176.600 0.056 0.000 0.946 2013 E CA -0.683 55.758 56.400 0.067 0.000 0.769 2013 E CB 2.261 31.997 29.700 0.059 0.000 1.230 2013 E HN 0.565 nan 8.360 nan 0.000 0.442 2014 I N 2.128 122.733 120.570 0.059 0.000 2.644 2014 I HA 0.374 4.545 4.170 0.001 0.000 0.291 2014 I C -1.333 174.808 176.117 0.041 0.000 1.180 2014 I CA -0.243 61.084 61.300 0.046 0.000 1.040 2014 I CB 2.189 40.216 38.000 0.045 0.000 1.255 2014 I HN 0.399 nan 8.210 nan 0.000 0.422 2015 T N 6.763 121.334 114.554 0.029 0.000 2.823 2015 T HA 0.566 4.916 4.350 0.001 0.000 0.279 2015 T C -0.837 173.876 174.700 0.022 0.000 0.998 2015 T CA -0.661 61.452 62.100 0.020 0.000 0.994 2015 T CB 1.485 70.364 68.868 0.018 0.000 0.960 2015 T HN 0.477 nan 8.240 nan 0.000 0.448 2016 K N 2.517 122.928 120.400 0.019 0.000 2.508 2016 K HA 0.524 4.844 4.320 0.001 0.000 0.260 2016 K C -2.971 173.644 176.600 0.026 0.000 0.949 2016 K CA -2.239 54.065 56.287 0.029 0.000 0.834 2016 K CB 2.050 34.578 32.500 0.048 0.000 1.365 2016 K HN 0.250 nan 8.250 nan 0.000 0.437 2017 P HA 0.081 nan 4.420 nan 0.000 0.272 2017 P C -0.483 176.842 177.300 0.042 0.000 1.223 2017 P CA -0.454 62.667 63.100 0.036 0.000 0.784 2017 P CB 0.428 32.147 31.700 0.032 0.000 0.923 2018 I N 1.507 122.103 120.570 0.044 0.000 3.138 2018 I HA 0.086 4.256 4.170 0.001 0.000 0.288 2018 I C 0.549 176.706 176.117 0.066 0.000 1.148 2018 I CA 0.341 61.687 61.300 0.076 0.000 1.315 2018 I CB 0.492 38.562 38.000 0.116 0.000 1.426 2018 I HN 0.424 nan 8.210 nan 0.000 0.615 2019 S N 3.477 119.221 115.700 0.074 0.000 2.608 2019 S HA 0.370 4.841 4.470 0.001 0.000 0.261 2019 S C 0.307 174.884 174.600 -0.039 0.000 1.314 2019 S CA -0.185 58.021 58.200 0.011 0.000 0.992 2019 S CB 0.346 63.544 63.200 -0.002 0.000 0.935 2019 S HN 0.838 nan 8.310 nan 0.000 0.564 2031 K N 0.974 121.442 120.400 0.114 0.000 2.570 2031 K HA 0.416 4.736 4.320 0.001 0.000 0.210 2031 K C 0.053 176.799 176.600 0.244 0.000 1.048 2031 K CA -0.368 56.006 56.287 0.144 0.000 1.167 2031 K CB 0.236 32.810 32.500 0.123 0.000 0.892 2031 K HN 0.143 nan 8.250 nan 0.000 0.480 2032 M N 2.147 121.831 119.600 0.139 0.000 2.252 2032 M HA -0.024 4.456 4.480 0.001 0.000 0.333 2032 M C 0.183 176.514 176.300 0.053 0.000 1.111 2032 M CA 0.658 55.961 55.300 0.004 0.000 1.140 2032 M CB 0.411 32.947 32.600 -0.106 0.000 1.538 2032 M HN 0.252 nan 8.290 nan 0.000 0.448 2033 T N 0.569 115.146 114.554 0.038 0.000 2.901 2033 T HA 0.816 5.166 4.350 0.001 0.000 0.293 2033 T C -0.693 173.963 174.700 -0.074 0.000 1.084 2033 T CA -0.941 61.173 62.100 0.024 0.000 1.008 2033 T CB 1.599 70.522 68.868 0.091 0.000 1.170 2033 T HN 0.596 nan 8.240 nan 0.000 0.509 2034 T N 1.715 116.197 114.554 -0.121 0.000 2.879 2034 T HA 0.615 4.965 4.350 0.001 0.000 0.290 2034 T C -0.643 173.959 174.700 -0.163 0.000 0.993 2034 T CA -0.642 61.303 62.100 -0.258 0.000 0.975 2034 T CB 1.564 70.049 68.868 -0.639 0.000 0.981 2034 T HN 0.666 nan 8.240 nan 0.000 0.439 2035 S N 2.670 118.309 115.700 -0.102 0.000 2.437 2035 S HA 0.578 5.048 4.470 0.001 0.000 0.305 2035 S C -0.636 173.978 174.600 0.023 0.000 1.109 2035 S CA -0.677 57.511 58.200 -0.021 0.000 1.099 2035 S CB 0.713 63.917 63.200 0.006 0.000 1.004 2035 S HN 0.560 nan 8.310 nan 0.000 0.475 2036 L N 5.307 126.572 121.223 0.070 0.000 2.295 2036 L HA 0.794 5.134 4.340 0.001 0.000 0.285 2036 L C -0.583 176.379 176.870 0.152 0.000 1.035 2036 L CA -0.340 54.597 54.840 0.162 0.000 0.806 2036 L CB 1.454 43.627 42.059 0.189 0.000 1.214 2036 L HN 0.445 nan 8.230 nan 0.000 0.426 2037 V N 4.705 124.728 119.914 0.182 0.000 2.864 2037 V HA 0.957 5.078 4.120 0.001 0.000 0.314 2037 V C -0.748 175.466 176.094 0.200 0.000 1.073 2037 V CA -0.041 62.349 62.300 0.151 0.000 0.956 2037 V CB 1.965 33.848 31.823 0.101 0.000 1.023 2037 V HN 1.085 nan 8.190 nan 0.000 0.435 2038 A N 4.728 127.628 122.820 0.134 0.000 2.359 2038 A HA 0.756 5.076 4.320 0.001 0.000 0.303 2038 A C -1.223 176.344 177.584 -0.028 0.000 1.066 2038 A CA -0.446 51.617 52.037 0.044 0.000 0.730 2038 A CB 1.759 20.829 19.000 0.117 0.000 1.211 2038 A HN 0.895 nan 8.150 nan 0.000 0.439 2039 V N 4.078 123.934 119.914 -0.097 0.000 2.288 2039 V HA 0.211 4.331 4.120 0.001 0.000 0.266 2039 V C -0.017 176.022 176.094 -0.092 0.000 1.048 2039 V CA -0.373 61.892 62.300 -0.059 0.000 0.842 2039 V CB 0.937 32.739 31.823 -0.034 0.000 1.064 2039 V HN 0.631 nan 8.190 nan 0.000 0.472 2040 V N 5.192 125.072 119.914 -0.057 0.000 2.488 2040 V HA 0.363 4.483 4.120 0.001 0.000 0.277 2040 V C 0.891 176.969 176.094 -0.028 0.000 1.046 2040 V CA -0.014 62.258 62.300 -0.045 0.000 0.986 2040 V CB 1.206 33.020 31.823 -0.015 0.000 0.989 2040 V HN 0.957 nan 8.190 nan 0.000 0.475 2041 T N 0.079 114.617 114.554 -0.027 0.000 2.889 2041 T HA 0.359 4.709 4.350 0.001 0.000 0.278 2041 T C 0.591 175.287 174.700 -0.007 0.000 0.995 2041 T CA -0.384 61.705 62.100 -0.017 0.000 0.966 2041 T CB 1.836 70.692 68.868 -0.020 0.000 1.237 2041 T HN 0.471 nan 8.240 nan 0.000 0.591 2042 D N -0.531 119.865 120.400 -0.006 0.000 2.259 2042 D HA 0.046 4.687 4.640 0.001 0.000 0.216 2042 D C 1.026 177.327 176.300 0.001 0.000 0.961 2042 D CA 0.294 54.294 54.000 -0.001 0.000 0.878 2042 D CB -0.110 40.688 40.800 -0.003 0.000 1.009 2042 D HN 0.449 nan 8.370 nan 0.000 0.490 2043 V N 1.748 121.662 119.914 -0.001 0.000 2.740 2043 V HA 0.305 4.425 4.120 0.001 0.000 0.303 2043 V C -0.039 176.060 176.094 0.008 0.000 1.054 2043 V CA -0.232 62.069 62.300 0.002 0.000 1.106 2043 V CB 1.179 33.001 31.823 -0.002 0.000 0.957 2043 V HN 0.023 nan 8.190 nan 0.000 0.486 2044 V N 5.543 125.464 119.914 0.011 0.000 2.604 2044 V HA 0.792 4.912 4.120 0.001 0.000 0.305 2044 V C -0.476 175.628 176.094 0.017 0.000 1.043 2044 V CA -0.999 61.311 62.300 0.018 0.000 0.888 2044 V CB 1.980 33.814 31.823 0.019 0.000 0.995 2044 V HN 0.919 nan 8.190 nan 0.000 0.429 2045 R N 2.709 123.223 120.500 0.023 0.000 2.435 2045 R HA 0.457 4.797 4.340 0.001 0.000 0.308 2045 R C -0.330 175.985 176.300 0.025 0.000 0.975 2045 R CA -0.246 55.866 56.100 0.020 0.000 0.867 2045 R CB 1.157 31.469 30.300 0.019 0.000 1.171 2045 R HN 1.095 nan 8.270 nan 0.000 0.470 2046 E N 1.094 121.306 120.200 0.021 0.000 2.553 2046 E HA -0.260 4.090 4.350 0.001 0.000 0.264 2046 E C 0.635 177.252 176.600 0.028 0.000 1.068 2046 E CA 0.637 57.051 56.400 0.023 0.000 0.774 2046 E CB -1.198 28.516 29.700 0.024 0.000 1.349 2046 E HN 1.144 nan 8.360 nan 0.000 0.404 2047 G N -0.105 108.711 108.800 0.027 0.000 2.267 2047 G HA2 -0.384 3.577 3.960 0.001 0.000 0.257 2047 G HA3 -0.384 3.577 3.960 0.001 0.000 0.257 2047 G C 0.271 175.194 174.900 0.037 0.000 0.998 2047 G CA 0.798 45.916 45.100 0.029 0.000 0.620 2047 G HN 0.221 nan 8.290 nan 0.000 0.529 2048 K N 0.885 121.311 120.400 0.044 0.000 2.211 2048 K HA 0.404 4.725 4.320 0.001 0.000 0.275 2048 K C 0.570 177.203 176.600 0.054 0.000 1.024 2048 K CA -0.771 55.551 56.287 0.058 0.000 0.887 2048 K CB 1.315 33.860 32.500 0.075 0.000 1.084 2048 K HN 0.310 nan 8.250 nan 0.000 0.463 2049 R N 2.543 123.076 120.500 0.055 0.000 2.491 2049 R HA 0.070 4.411 4.340 0.001 0.000 0.283 2049 R C -0.382 175.948 176.300 0.050 0.000 1.072 2049 R CA -0.258 55.868 56.100 0.044 0.000 1.048 2049 R CB 0.800 31.124 30.300 0.039 0.000 0.983 2049 R HN 0.373 nan 8.270 nan 0.000 0.450 2050 V N 6.099 126.031 119.914 0.030 0.000 2.488 2050 V HA 0.346 4.466 4.120 0.001 0.000 0.277 2050 V C -0.807 175.279 176.094 -0.013 0.000 1.046 2050 V CA -0.151 62.163 62.300 0.023 0.000 0.986 2050 V CB 1.338 33.169 31.823 0.013 0.000 0.989 2050 V HN 0.553 nan 8.190 nan 0.000 0.475 2051 V N 6.427 126.314 119.914 -0.045 0.000 2.577 2051 V HA 0.697 4.817 4.120 0.001 0.000 0.303 2051 V C 0.593 176.472 176.094 -0.357 0.000 1.042 2051 V CA -0.053 62.122 62.300 -0.208 0.000 0.872 2051 V CB 1.628 33.293 31.823 -0.262 0.000 0.998 2051 V HN 1.062 nan 8.190 nan 0.000 0.423 2052 G N 2.916 111.533 108.800 -0.304 0.000 2.367 2052 G HA2 0.630 4.591 3.960 0.001 0.000 0.314 2052 G HA3 0.630 4.591 3.960 0.001 0.000 0.314 2052 G C -1.526 173.195 174.900 -0.299 0.000 1.130 2052 G CA -0.187 44.813 45.100 -0.167 0.000 0.864 2052 G HN 0.479 nan 8.290 nan 0.000 0.486 2053 Y N -0.266 120.202 120.300 0.280 0.000 2.524 2053 Y HA 0.743 5.294 4.550 0.001 0.000 0.344 2053 Y C 0.703 176.732 175.900 0.216 0.000 1.012 2053 Y CA -0.422 57.803 58.100 0.208 0.000 1.068 2053 Y CB 2.845 41.372 38.460 0.112 0.000 1.249 2053 Y HN 0.859 nan 8.280 nan 0.000 0.468 2054 G N 0.920 109.875 108.800 0.259 0.000 2.677 2054 G HA2 0.696 4.656 3.960 0.001 0.000 0.291 2054 G HA3 0.696 4.656 3.960 0.001 0.000 0.291 2054 G C -2.003 172.933 174.900 0.060 0.000 1.435 2054 G CA -0.841 44.282 45.100 0.038 0.000 0.826 2054 G HN 0.616 nan 8.290 nan 0.000 0.491 2055 F N -1.274 118.658 119.950 -0.030 0.000 2.807 2055 F HA 0.589 5.117 4.527 0.001 0.000 0.316 2055 F C -0.823 174.881 175.800 -0.160 0.000 1.162 2055 F CA -1.756 56.174 58.000 -0.117 0.000 0.910 2055 F CB 0.955 39.844 39.000 -0.186 0.000 1.314 2055 F HN 0.581 nan 8.300 nan 0.000 0.454 2056 N N 0.854 119.609 118.700 0.093 0.000 2.524 2056 N HA 0.334 5.074 4.740 0.001 0.000 0.283 2056 N C -0.607 174.955 175.510 0.086 0.000 1.142 2056 N CA -0.361 52.699 53.050 0.017 0.000 0.984 2056 N CB 1.634 40.099 38.487 -0.037 0.000 1.155 2056 N HN 0.688 nan 8.380 nan 0.000 0.467 2057 S N 0.722 116.488 115.700 0.110 0.000 2.596 2057 S HA 0.023 4.493 4.470 0.001 0.000 0.260 2057 S C 0.786 175.337 174.600 -0.081 0.000 1.336 2057 S CA -0.852 57.446 58.200 0.163 0.000 0.993 2057 S CB 0.133 63.512 63.200 0.298 0.000 0.923 2057 S HN 0.812 nan 8.310 nan 0.000 0.567 2058 N N -0.134 118.360 118.700 -0.344 0.000 2.371 2058 N HA 0.231 4.972 4.740 0.001 0.000 0.243 2058 N C 0.969 176.303 175.510 -0.293 0.000 1.287 2058 N CA 0.492 53.144 53.050 -0.662 0.000 0.911 2058 N CB 0.367 37.780 38.487 -1.790 0.000 1.142 2058 N HN 0.838 nan 8.380 nan 0.000 0.451 2059 G N 0.113 108.733 108.800 -0.299 0.000 2.308 2059 G HA2 -0.232 3.729 3.960 0.001 0.000 0.221 2059 G HA3 -0.232 3.729 3.960 0.001 0.000 0.221 2059 G C -0.069 174.692 174.900 -0.233 0.000 1.032 2059 G CA -0.035 44.966 45.100 -0.165 0.000 0.623 2059 G HN 0.743 nan 8.290 nan 0.000 0.506 2060 R N -0.348 120.008 120.500 -0.240 0.000 2.750 2060 R HA 0.566 4.906 4.340 0.001 0.000 0.281 2060 R C -0.722 175.397 176.300 -0.302 0.000 0.972 2060 R CA -0.907 55.031 56.100 -0.270 0.000 0.912 2060 R CB 1.224 31.427 30.300 -0.162 0.000 1.187 2060 R HN 0.171 nan 8.270 nan 0.000 0.464 2061 Y N 0.310 120.563 120.300 -0.080 0.000 2.597 2061 Y HA 0.066 4.617 4.550 0.001 0.000 0.336 2061 Y C 1.646 177.497 175.900 -0.082 0.000 1.216 2061 Y CA 0.589 58.645 58.100 -0.073 0.000 1.463 2061 Y CB 0.284 38.708 38.460 -0.059 0.000 1.303 2061 Y HN 0.711 nan 8.280 nan 0.000 0.576 2062 G N 1.770 110.612 108.800 0.071 0.000 2.380 2062 G HA2 0.123 4.084 3.960 0.001 0.000 0.242 2062 G HA3 0.123 4.084 3.960 0.001 0.000 0.242 2062 G C 0.001 174.919 174.900 0.031 0.000 1.298 2062 G CA -0.492 44.615 45.100 0.013 0.000 0.878 2062 G HN 0.627 nan 8.290 nan 0.000 0.542 2063 Q N 1.431 121.234 119.800 0.005 0.000 2.268 2063 Q HA 0.256 4.596 4.340 0.001 0.000 0.289 2063 Q C 1.938 177.957 176.000 0.031 0.000 0.893 2063 Q CA 0.335 56.145 55.803 0.012 0.000 1.057 2063 Q CB 0.315 29.042 28.738 -0.018 0.000 1.173 2063 Q HN 0.675 nan 8.270 nan 0.000 0.449 2064 G N -0.779 108.039 108.800 0.029 0.000 2.450 2064 G HA2 -0.259 3.701 3.960 0.001 0.000 0.220 2064 G HA3 -0.259 3.701 3.960 0.001 0.000 0.220 2064 G C 1.208 176.135 174.900 0.045 0.000 1.130 2064 G CA 0.757 45.880 45.100 0.039 0.000 0.760 2064 G HN 0.559 nan 8.290 nan 0.000 0.557 2065 G N 1.050 109.870 108.800 0.034 0.000 2.459 2065 G HA2 -0.187 3.774 3.960 0.001 0.000 0.217 2065 G HA3 -0.187 3.774 3.960 0.001 0.000 0.217 2065 G C 1.777 176.704 174.900 0.045 0.000 1.183 2065 G CA 0.805 45.921 45.100 0.027 0.000 0.776 2065 G HN 0.423 nan 8.290 nan 0.000 0.552 2066 L N 0.081 121.352 121.223 0.079 0.000 2.083 2066 L HA -0.016 4.325 4.340 0.001 0.000 0.209 2066 L C 2.886 179.898 176.870 0.236 0.000 1.083 2066 L CA 0.529 55.456 54.840 0.144 0.000 0.752 2066 L CB -0.400 41.812 42.059 0.256 0.000 0.899 2066 L HN 0.219 nan 8.230 nan 0.000 0.433 2067 I N -0.312 120.393 120.570 0.225 0.000 2.127 2067 I HA -0.321 3.849 4.170 0.001 0.000 0.241 2067 I C 2.843 179.041 176.117 0.134 0.000 1.075 2067 I CA 1.468 62.904 61.300 0.226 0.000 1.334 2067 I CB -0.292 37.779 38.000 0.119 0.000 1.040 2067 I HN 0.219 nan 8.210 nan 0.000 0.405 2068 R N 0.277 120.822 120.500 0.075 0.000 2.066 2068 R HA -0.196 4.144 4.340 0.001 0.000 0.232 2068 R C 2.267 178.572 176.300 0.008 0.000 1.131 2068 R CA 1.591 57.713 56.100 0.038 0.000 0.955 2068 R CB -0.424 29.892 30.300 0.026 0.000 0.851 2068 R HN 0.424 nan 8.270 nan 0.000 0.432 2069 E N 0.205 120.402 120.200 -0.006 0.000 2.106 2069 E HA -0.177 4.173 4.350 0.001 0.000 0.192 2069 E C 2.014 178.547 176.600 -0.112 0.000 0.984 2069 E CA 1.048 57.419 56.400 -0.048 0.000 0.806 2069 E CB 0.283 29.956 29.700 -0.045 0.000 0.750 2069 E HN 0.151 nan 8.360 nan 0.000 0.458 2070 R N -1.802 118.588 120.500 -0.183 0.000 2.437 2070 R HA 0.082 4.423 4.340 0.001 0.000 0.184 2070 R C 1.852 177.886 176.300 -0.444 0.000 0.850 2070 R CA 0.125 55.988 56.100 -0.395 0.000 1.073 2070 R CB -0.009 29.879 30.300 -0.687 0.000 1.336 2070 R HN 0.068 nan 8.270 nan 0.000 0.640 2071 F N 1.113 121.044 119.950 -0.031 0.000 2.187 2071 F HA 0.218 4.745 4.527 0.001 0.000 0.295 2071 F C 2.435 178.217 175.800 -0.029 0.000 1.091 2071 F CA 1.020 58.996 58.000 -0.039 0.000 1.308 2071 F CB -0.572 38.401 39.000 -0.045 0.000 1.030 2071 F HN 0.123 nan 8.300 nan 0.000 0.487 2072 A N 0.467 123.373 122.820 0.143 0.000 1.892 2072 A HA -0.256 4.064 4.320 0.001 0.000 0.218 2072 A C 2.413 180.021 177.584 0.040 0.000 1.188 2072 A CA 2.540 54.626 52.037 0.081 0.000 0.631 2072 A CB -1.347 17.690 19.000 0.061 0.000 0.822 2072 A HN 0.423 nan 8.150 nan 0.000 0.447 2073 S N -0.232 115.475 115.700 0.011 0.000 2.382 2073 S HA -0.195 4.275 4.470 0.001 0.000 0.228 2073 S C 1.986 176.583 174.600 -0.006 0.000 1.027 2073 S CA 1.237 59.433 58.200 -0.006 0.000 0.991 2073 S CB -0.484 62.700 63.200 -0.027 0.000 0.823 2073 S HN 0.614 nan 8.310 nan 0.000 0.469 2074 R N 0.724 121.220 120.500 -0.007 0.000 2.096 2074 R HA 0.095 4.436 4.340 0.001 0.000 0.235 2074 R C 2.304 178.612 176.300 0.014 0.000 1.127 2074 R CA 1.787 57.886 56.100 -0.002 0.000 0.968 2074 R CB -0.579 29.721 30.300 0.000 0.000 0.861 2074 R HN 0.490 nan 8.270 nan 0.000 0.440 2075 I N 0.633 121.220 120.570 0.028 0.000 2.193 2075 I HA -0.259 3.911 4.170 0.001 0.000 0.240 2075 I C 2.124 178.249 176.117 0.014 0.000 1.084 2075 I CA 1.229 62.544 61.300 0.025 0.000 1.365 2075 I CB -0.264 37.755 38.000 0.032 0.000 1.064 2075 I HN 0.124 nan 8.210 nan 0.000 0.410 2076 L N 0.345 121.575 121.223 0.013 0.000 2.191 2076 L HA -0.177 4.164 4.340 0.001 0.000 0.212 2076 L C 1.959 178.830 176.870 0.003 0.000 1.103 2076 L CA 1.322 56.166 54.840 0.007 0.000 0.769 2076 L CB -0.487 41.576 42.059 0.008 0.000 0.908 2076 L HN 0.311 nan 8.230 nan 0.000 0.438 2077 E N -0.031 120.169 120.200 0.001 0.000 2.474 2077 E HA 0.169 4.520 4.350 0.001 0.000 0.194 2077 E C 0.766 177.366 176.600 -0.001 0.000 1.041 2077 E CA -0.141 56.258 56.400 -0.002 0.000 0.874 2077 E CB 0.343 30.039 29.700 -0.007 0.000 0.914 2077 E HN 0.390 nan 8.360 nan 0.000 0.498 2078 A N 1.732 124.553 122.820 0.002 0.000 2.351 2078 A HA 0.053 4.374 4.320 0.001 0.000 0.257 2078 A C -0.016 177.569 177.584 0.002 0.000 1.087 2078 A CA -0.477 51.562 52.037 0.004 0.000 0.798 2078 A CB 0.409 19.414 19.000 0.008 0.000 1.033 2078 A HN -0.017 nan 8.150 nan 0.000 0.488 2079 D N 1.790 122.191 120.400 0.002 0.000 2.349 2079 D HA 0.195 4.835 4.640 0.001 0.000 0.266 2079 D C -1.574 174.726 176.300 -0.001 0.000 1.293 2079 D CA -1.670 52.330 54.000 0.001 0.000 0.926 2079 D CB 0.798 41.598 40.800 0.001 0.000 1.090 2079 D HN 0.105 nan 8.370 nan 0.000 0.502 2080 P HA -0.191 nan 4.420 nan 0.000 0.217 2080 P C 0.806 178.102 177.300 -0.006 0.000 1.151 2080 P CA 1.518 64.616 63.100 -0.005 0.000 0.849 2080 P CB 0.200 31.897 31.700 -0.005 0.000 0.787 2081 K N -0.628 119.770 120.400 -0.005 0.000 2.439 2081 K HA -0.053 4.268 4.320 0.001 0.000 0.197 2081 K C 1.332 177.929 176.600 -0.005 0.000 1.041 2081 K CA 0.836 57.120 56.287 -0.005 0.000 0.970 2081 K CB -0.083 32.415 32.500 -0.004 0.000 0.773 2081 K HN 0.227 nan 8.250 nan 0.000 0.479 2082 K N 0.541 120.939 120.400 -0.003 0.000 2.397 2082 K HA 0.171 4.491 4.320 0.001 0.000 0.202 2082 K C 0.675 177.274 176.600 -0.001 0.000 1.022 2082 K CA 0.061 56.348 56.287 -0.000 0.000 1.141 2082 K CB 0.535 33.038 32.500 0.004 0.000 0.857 2082 K HN 0.067 nan 8.250 nan 0.000 0.514 2083 L N 0.903 122.122 121.223 -0.007 0.000 2.906 2083 L HA 0.284 4.624 4.340 0.001 0.000 0.255 2083 L C 0.030 176.884 176.870 -0.028 0.000 1.166 2083 L CA -0.098 54.734 54.840 -0.013 0.000 0.977 2083 L CB 0.277 42.328 42.059 -0.013 0.000 1.313 2083 L HN 0.033 nan 8.230 nan 0.000 0.549 2084 L N 0.034 121.242 121.223 -0.025 0.000 2.400 2084 L HA 0.382 4.722 4.340 0.001 0.000 0.264 2084 L C 0.260 177.110 176.870 -0.034 0.000 1.061 2084 L CA -0.928 53.893 54.840 -0.032 0.000 0.799 2084 L CB 0.664 42.708 42.059 -0.024 0.000 1.240 2084 L HN 0.158 nan 8.230 nan 0.000 0.461 2085 N N -0.295 118.382 118.700 -0.039 0.000 2.322 2085 N HA -0.045 4.696 4.740 0.001 0.000 0.270 2085 N C 0.510 176.007 175.510 -0.023 0.000 1.286 2085 N CA -0.408 52.620 53.050 -0.035 0.000 0.948 2085 N CB 0.299 38.763 38.487 -0.038 0.000 1.164 2085 N HN 0.581 nan 8.380 nan 0.000 0.551 2086 E N -0.516 119.672 120.200 -0.019 0.000 2.085 2086 E HA -0.112 4.238 4.350 0.001 0.000 0.194 2086 E C 1.680 178.273 176.600 -0.012 0.000 0.994 2086 E CA 1.972 58.364 56.400 -0.014 0.000 0.801 2086 E CB -0.724 28.969 29.700 -0.012 0.000 0.743 2086 E HN 0.682 nan 8.360 nan 0.000 0.453 2087 A N -0.658 122.155 122.820 -0.013 0.000 2.119 2087 A HA 0.188 4.509 4.320 0.001 0.000 0.217 2087 A C 1.878 179.455 177.584 -0.011 0.000 1.153 2087 A CA 1.205 53.236 52.037 -0.011 0.000 0.692 2087 A CB -0.776 18.218 19.000 -0.010 0.000 0.799 2087 A HN 0.523 nan 8.150 nan 0.000 0.458 2088 G N 0.248 109.039 108.800 -0.014 0.000 2.160 2088 G HA2 -0.297 3.663 3.960 0.001 0.000 0.251 2088 G HA3 -0.297 3.663 3.960 0.001 0.000 0.251 2088 G C 0.154 175.045 174.900 -0.014 0.000 1.008 2088 G CA 0.936 46.027 45.100 -0.014 0.000 0.724 2088 G HN 0.878 nan 8.290 nan 0.000 0.514 2089 D N -1.053 119.337 120.400 -0.016 0.000 2.431 2089 D HA 0.285 4.925 4.640 0.001 0.000 0.213 2089 D C 0.526 176.814 176.300 -0.020 0.000 1.130 2089 D CA -0.175 53.816 54.000 -0.015 0.000 0.834 2089 D CB 0.348 41.141 40.800 -0.011 0.000 0.985 2089 D HN 0.283 nan 8.370 nan 0.000 0.504 2090 N N -0.208 118.476 118.700 -0.028 0.000 2.961 2090 N HA 0.280 5.020 4.740 0.001 0.000 0.245 2090 N C -1.552 173.926 175.510 -0.054 0.000 1.404 2090 N CA -0.568 52.459 53.050 -0.039 0.000 0.880 2090 N CB 1.394 39.856 38.487 -0.041 0.000 1.461 2090 N HN -0.085 nan 8.380 nan 0.000 0.510 2091 L N 0.873 122.053 121.223 -0.071 0.000 2.397 2091 L HA 0.246 4.586 4.340 0.001 0.000 0.271 2091 L C 0.410 177.199 176.870 -0.135 0.000 1.148 2091 L CA -0.256 54.529 54.840 -0.091 0.000 0.825 2091 L CB 0.423 42.422 42.059 -0.100 0.000 1.117 2091 L HN 0.467 nan 8.230 nan 0.000 0.456 2092 D N 4.111 124.437 120.400 -0.123 0.000 2.359 2092 D HA 0.193 4.833 4.640 0.001 0.000 0.230 2092 D C -1.858 174.318 176.300 -0.206 0.000 1.118 2092 D CA -1.974 51.936 54.000 -0.149 0.000 0.844 2092 D CB 2.012 42.763 40.800 -0.082 0.000 1.059 2092 D HN 0.169 nan 8.370 nan 0.000 0.493 2093 P HA -0.132 nan 4.420 nan 0.000 0.215 2093 P C 0.800 178.008 177.300 -0.154 0.000 1.157 2093 P CA 1.013 63.794 63.100 -0.532 0.000 0.874 2093 P CB 0.376 31.242 31.700 -1.391 0.000 0.790 2094 D N -0.655 119.696 120.400 -0.082 0.000 2.178 2094 D HA -0.129 4.511 4.640 0.001 0.000 0.201 2094 D C 1.739 178.108 176.300 0.115 0.000 0.980 2094 D CA 1.078 55.108 54.000 0.050 0.000 0.842 2094 D CB -0.152 40.652 40.800 0.006 0.000 0.948 2094 D HN 0.308 nan 8.370 nan 0.000 0.472 2095 K N 0.454 120.882 120.400 0.046 0.000 2.103 2095 K HA -0.032 4.288 4.320 0.001 0.000 0.204 2095 K C 2.228 178.877 176.600 0.082 0.000 1.052 2095 K CA 0.383 56.705 56.287 0.059 0.000 0.945 2095 K CB 0.126 32.634 32.500 0.013 0.000 0.722 2095 K HN -0.040 nan 8.250 nan 0.000 0.443 2096 V N 0.131 120.079 119.914 0.058 0.000 2.427 2096 V HA -0.218 3.902 4.120 0.001 0.000 0.248 2096 V C 1.837 178.008 176.094 0.129 0.000 1.051 2096 V CA 1.444 63.780 62.300 0.060 0.000 1.048 2096 V CB -0.452 31.378 31.823 0.012 0.000 0.666 2096 V HN 0.449 nan 8.190 nan 0.000 0.456 2097 W N 0.948 122.253 121.300 0.009 0.000 2.354 2097 W HA -0.164 4.496 4.660 0.000 0.000 0.315 2097 W C 2.508 179.064 176.519 0.061 0.000 1.206 2097 W CA 2.135 59.511 57.345 0.052 0.000 1.290 2097 W CB -0.303 29.200 29.460 0.071 0.000 1.152 2097 W HN 0.176 nan 8.180 nan 0.000 0.489 2098 A N 0.364 123.420 122.820 0.394 0.000 1.933 2098 A HA -0.089 4.231 4.320 0.001 0.000 0.218 2098 A C 2.017 179.652 177.584 0.085 0.000 1.175 2098 A CA 2.365 54.556 52.037 0.256 0.000 0.628 2098 A CB -1.473 17.663 19.000 0.227 0.000 0.814 2098 A HN 0.377 nan 8.150 nan 0.000 0.444 2099 A N 0.468 123.331 122.820 0.072 0.000 1.902 2099 A HA -0.124 4.196 4.320 0.001 0.000 0.217 2099 A C 2.265 179.861 177.584 0.020 0.000 1.181 2099 A CA 1.929 53.989 52.037 0.038 0.000 0.623 2099 A CB -0.639 18.382 19.000 0.036 0.000 0.818 2099 A HN 0.851 nan 8.150 nan 0.000 0.443 2100 M N -3.180 116.422 119.600 0.003 0.000 2.558 2100 M HA 0.243 4.723 4.480 0.001 0.000 0.255 2100 M C 1.061 177.410 176.300 0.081 0.000 1.113 2100 M CA 1.042 56.380 55.300 0.063 0.000 1.097 2100 M CB 0.064 32.710 32.600 0.077 0.000 1.426 2100 M HN 0.103 nan 8.290 nan 0.000 0.488 2101 M N 2.361 121.901 119.600 -0.099 0.000 2.453 2101 M HA 0.375 4.855 4.480 0.001 0.000 0.239 2101 M C 0.498 176.784 176.300 -0.022 0.000 1.151 2101 M CA -0.335 54.891 55.300 -0.123 0.000 0.989 2101 M CB -0.695 31.611 32.600 -0.490 0.000 1.548 2101 M HN 0.427 nan 8.290 nan 0.000 0.479 2102 I N -0.738 119.831 120.570 -0.002 0.000 2.779 2102 I HA 0.132 4.302 4.170 0.001 0.000 0.285 2102 I C 0.336 176.448 176.117 -0.009 0.000 1.134 2102 I CA -0.124 61.178 61.300 0.004 0.000 1.398 2102 I CB 0.227 38.228 38.000 0.002 0.000 1.404 2102 I HN 0.291 nan 8.210 nan 0.000 0.587 2103 N N 1.880 120.578 118.700 -0.004 0.000 2.735 2103 N HA -0.170 4.570 4.740 0.001 0.000 0.248 2103 N C -0.888 174.615 175.510 -0.012 0.000 1.083 2103 N CA 0.928 53.969 53.050 -0.015 0.000 0.703 2103 N CB -1.002 37.462 38.487 -0.038 0.000 1.005 2103 N HN 0.683 nan 8.380 nan 0.000 0.550 2104 E N 0.767 120.977 120.200 0.017 0.000 2.185 2104 E HA 0.290 4.641 4.350 0.001 0.000 0.261 2104 E C 0.319 176.948 176.600 0.048 0.000 0.879 2104 E CA -0.419 56.008 56.400 0.044 0.000 0.756 2104 E CB 1.588 31.343 29.700 0.091 0.000 1.152 2104 E HN 0.123 nan 8.360 nan 0.000 0.416 2105 K N 2.523 122.945 120.400 0.037 0.000 2.219 2105 K HA 0.266 4.586 4.320 0.001 0.000 0.258 2105 K C -2.095 174.527 176.600 0.038 0.000 1.008 2105 K CA -1.393 54.912 56.287 0.030 0.000 0.928 2105 K CB 0.007 32.515 32.500 0.013 0.000 0.983 2105 K HN 0.166 nan 8.250 nan 0.000 0.484 2106 P HA 0.022 nan 4.420 nan 0.000 0.269 2106 P C 0.011 177.285 177.300 -0.042 0.000 1.215 2106 P CA 0.217 63.338 63.100 0.035 0.000 0.780 2106 P CB 0.433 32.156 31.700 0.038 0.000 0.898 2107 G N 0.600 109.316 108.800 -0.140 0.000 2.804 2107 G HA2 0.220 4.180 3.960 0.001 0.000 0.230 2107 G HA3 0.220 4.180 3.960 0.001 0.000 0.230 2107 G C 0.408 175.009 174.900 -0.497 0.000 1.386 2107 G CA 0.216 45.065 45.100 -0.418 0.000 0.875 2107 G HN 1.274 nan 8.290 nan 0.000 0.557 2108 G N -1.706 106.864 108.800 -0.384 0.000 2.326 2108 G HA2 -0.049 3.912 3.960 0.001 0.000 0.286 2108 G HA3 -0.049 3.912 3.960 0.001 0.000 0.286 2108 G C 0.152 174.988 174.900 -0.108 0.000 1.096 2108 G CA 0.876 45.875 45.100 -0.169 0.000 1.003 2108 G HN 1.684 nan 8.290 nan 0.000 0.503 2109 H N 0.432 119.610 119.070 0.180 0.000 2.982 2109 H HA 0.492 5.049 4.556 0.001 0.000 0.261 2109 H C 1.038 176.435 175.328 0.116 0.000 1.603 2109 H CA 0.697 56.889 56.048 0.241 0.000 1.398 2109 H CB 0.343 30.319 29.762 0.357 0.000 1.693 2109 H HN 0.569 nan 8.280 nan 0.000 0.535 2110 G N 1.384 110.213 108.800 0.048 0.000 3.359 2110 G HA2 0.047 4.007 3.960 0.001 0.000 0.187 2110 G HA3 0.047 4.007 3.960 0.001 0.000 0.187 2110 G C 0.806 175.551 174.900 -0.258 0.000 1.294 2110 G CA -0.339 44.679 45.100 -0.136 0.000 0.769 2110 G HN 0.238 nan 8.290 nan 0.000 0.733 2111 E N 0.538 120.635 120.200 -0.172 0.000 2.136 2111 E HA -0.234 4.116 4.350 0.001 0.000 0.202 2111 E C 2.477 178.987 176.600 -0.150 0.000 1.019 2111 E CA 1.921 58.232 56.400 -0.148 0.000 0.819 2111 E CB -0.245 29.420 29.700 -0.057 0.000 0.739 2111 E HN 0.553 nan 8.360 nan 0.000 0.458 2112 R N 0.459 120.908 120.500 -0.084 0.000 2.152 2112 R HA -0.083 4.257 4.340 0.001 0.000 0.232 2112 R C 2.174 178.238 176.300 -0.393 0.000 1.117 2112 R CA 1.657 57.716 56.100 -0.067 0.000 0.981 2112 R CB -0.645 29.771 30.300 0.193 0.000 0.870 2112 R HN 0.243 nan 8.270 nan 0.000 0.451 2113 S N 0.748 116.080 115.700 -0.614 0.000 2.399 2113 S HA -0.081 4.390 4.470 0.001 0.000 0.231 2113 S C 2.041 176.303 174.600 -0.563 0.000 1.022 2113 S CA 1.140 58.656 58.200 -1.140 0.000 0.983 2113 S CB -0.382 62.236 63.200 -0.970 0.000 0.803 2113 S HN 0.184 nan 8.310 nan 0.000 0.480 2114 V N 2.320 121.995 119.914 -0.399 0.000 2.379 2114 V HA -0.006 4.114 4.120 0.001 0.000 0.245 2114 V C 3.153 179.121 176.094 -0.209 0.000 1.044 2114 V CA 1.441 63.591 62.300 -0.251 0.000 1.036 2114 V CB -1.473 30.218 31.823 -0.219 0.000 0.664 2114 V HN 0.664 nan 8.190 nan 0.000 0.453 2115 A N 0.001 122.673 122.820 -0.247 0.000 1.877 2115 A HA -0.154 4.166 4.320 0.001 0.000 0.216 2115 A C 2.385 179.743 177.584 -0.376 0.000 1.186 2115 A CA 2.107 53.995 52.037 -0.250 0.000 0.620 2115 A CB -0.724 18.150 19.000 -0.210 0.000 0.822 2115 A HN 0.319 nan 8.150 nan 0.000 0.443 2116 V N -0.050 119.531 119.914 -0.555 0.000 2.427 2116 V HA -0.159 3.962 4.120 0.001 0.000 0.248 2116 V C 2.788 178.817 176.094 -0.108 0.000 1.051 2116 V CA 1.890 63.922 62.300 -0.446 0.000 1.048 2116 V CB -1.390 30.211 31.823 -0.370 0.000 0.666 2116 V HN 0.624 nan 8.190 nan 0.000 0.456 2117 G N 0.388 109.150 108.800 -0.064 0.000 2.422 2117 G HA2 -0.271 3.690 3.960 0.001 0.000 0.218 2117 G HA3 -0.271 3.690 3.960 0.001 0.000 0.218 2117 G C 1.783 176.692 174.900 0.014 0.000 1.146 2117 G CA 1.636 46.766 45.100 0.051 0.000 0.769 2117 G HN 0.574 nan 8.290 nan 0.000 0.547 2118 T N -0.060 114.467 114.554 -0.046 0.000 2.746 2118 T HA -0.001 4.349 4.350 0.001 0.000 0.267 2118 T C 2.386 177.089 174.700 0.004 0.000 1.039 2118 T CA 1.098 63.172 62.100 -0.043 0.000 1.142 2118 T CB -0.260 68.587 68.868 -0.035 0.000 0.866 2118 T HN 0.256 nan 8.240 nan 0.000 0.444 2119 I N 2.118 122.689 120.570 0.001 0.000 2.252 2119 I HA -0.129 4.041 4.170 0.001 0.000 0.245 2119 I C 2.845 179.020 176.117 0.096 0.000 1.102 2119 I CA 1.741 63.061 61.300 0.033 0.000 1.385 2119 I CB -0.518 37.478 38.000 -0.007 0.000 1.064 2119 I HN 0.347 nan 8.210 nan 0.000 0.414 2120 D N 1.296 121.785 120.400 0.150 0.000 2.123 2120 D HA -0.277 4.363 4.640 0.001 0.000 0.196 2120 D C 2.253 178.762 176.300 0.347 0.000 0.992 2120 D CA 1.558 55.742 54.000 0.307 0.000 0.833 2120 D CB -0.021 41.036 40.800 0.429 0.000 0.954 2120 D HN 0.307 nan 8.370 nan 0.000 0.455 2121 M N 0.460 120.181 119.600 0.201 0.000 2.080 2121 M HA -0.194 4.286 4.480 0.001 0.000 0.260 2121 M C 2.245 178.677 176.300 0.219 0.000 1.068 2121 M CA 2.070 57.464 55.300 0.156 0.000 1.109 2121 M CB -0.089 32.498 32.600 -0.020 0.000 1.342 2121 M HN 0.089 nan 8.290 nan 0.000 0.405 2122 A N -0.596 122.330 122.820 0.176 0.000 1.930 2122 A HA -0.087 4.233 4.320 0.001 0.000 0.217 2122 A C 2.019 179.679 177.584 0.127 0.000 1.175 2122 A CA 1.647 53.783 52.037 0.165 0.000 0.627 2122 A CB -1.002 18.061 19.000 0.105 0.000 0.815 2122 A HN 0.433 nan 8.150 nan 0.000 0.443 2123 V N -2.182 117.803 119.914 0.119 0.000 2.343 2123 V HA -0.281 3.840 4.120 0.001 0.000 0.247 2123 V C 2.240 178.337 176.094 0.005 0.000 1.051 2123 V CA 1.859 64.174 62.300 0.025 0.000 1.036 2123 V CB -0.985 30.824 31.823 -0.024 0.000 0.654 2123 V HN 0.805 nan 8.190 nan 0.000 0.451 2124 W N 0.211 121.544 121.300 0.055 0.000 2.436 2124 W HA -0.088 4.572 4.660 0.001 0.000 0.284 2124 W C 2.304 178.839 176.519 0.027 0.000 1.225 2124 W CA 1.342 58.712 57.345 0.042 0.000 1.271 2124 W CB -0.376 29.109 29.460 0.043 0.000 1.114 2124 W HN 0.312 nan 8.180 nan 0.000 0.559 2125 D N -0.011 120.541 120.400 0.253 0.000 2.097 2125 D HA -0.181 4.459 4.640 0.001 0.000 0.195 2125 D C 2.203 178.567 176.300 0.107 0.000 0.989 2125 D CA 2.081 56.179 54.000 0.163 0.000 0.827 2125 D CB -0.416 40.520 40.800 0.226 0.000 0.966 2125 D HN -0.013 nan 8.370 nan 0.000 0.456 2126 A N -0.086 122.777 122.820 0.072 0.000 1.877 2126 A HA -0.097 4.224 4.320 0.001 0.000 0.216 2126 A C 2.575 180.163 177.584 0.007 0.000 1.186 2126 A CA 1.634 53.682 52.037 0.019 0.000 0.620 2126 A CB -0.908 18.082 19.000 -0.016 0.000 0.822 2126 A HN 0.201 nan 8.150 nan 0.000 0.443 2127 V N -0.049 119.858 119.914 -0.012 0.000 2.332 2127 V HA -0.287 3.833 4.120 0.001 0.000 0.248 2127 V C 3.051 179.154 176.094 0.016 0.000 1.055 2127 V CA 2.090 64.366 62.300 -0.040 0.000 1.038 2127 V CB -1.233 30.501 31.823 -0.147 0.000 0.651 2127 V HN 0.628 nan 8.190 nan 0.000 0.450 2128 A N -0.406 122.456 122.820 0.070 0.000 1.898 2128 A HA -0.218 4.102 4.320 0.001 0.000 0.216 2128 A C 2.287 179.885 177.584 0.024 0.000 1.181 2128 A CA 1.882 53.956 52.037 0.062 0.000 0.620 2128 A CB -0.420 18.628 19.000 0.081 0.000 0.819 2128 A HN 0.544 nan 8.150 nan 0.000 0.442 2129 K N -0.391 120.025 120.400 0.027 0.000 2.057 2129 K HA -0.043 4.277 4.320 0.001 0.000 0.207 2129 K C 1.741 178.347 176.600 0.010 0.000 1.049 2129 K CA 1.512 57.810 56.287 0.019 0.000 0.931 2129 K CB -0.362 32.158 32.500 0.032 0.000 0.714 2129 K HN 0.526 nan 8.250 nan 0.000 0.440 2130 I N 0.811 121.385 120.570 0.006 0.000 2.361 2130 I HA -0.232 3.939 4.170 0.001 0.000 0.251 2130 I C 2.189 178.304 176.117 -0.003 0.000 1.133 2130 I CA 0.915 62.214 61.300 -0.001 0.000 1.413 2130 I CB -0.216 37.777 38.000 -0.011 0.000 1.073 2130 I HN 0.138 nan 8.210 nan 0.000 0.424 2131 A N 0.289 123.108 122.820 -0.001 0.000 2.208 2131 A HA 0.268 4.588 4.320 0.001 0.000 0.209 2131 A C 1.810 179.390 177.584 -0.007 0.000 1.161 2131 A CA 0.722 52.757 52.037 -0.003 0.000 0.782 2131 A CB -0.584 18.418 19.000 0.003 0.000 0.816 2131 A HN 0.534 nan 8.150 nan 0.000 0.477 2132 G N -0.379 108.417 108.800 -0.007 0.000 2.221 2132 G HA2 -0.261 3.699 3.960 0.001 0.000 0.265 2132 G HA3 -0.261 3.699 3.960 0.001 0.000 0.265 2132 G C -0.034 174.849 174.900 -0.028 0.000 1.041 2132 G CA 0.846 45.938 45.100 -0.012 0.000 0.807 2132 G HN 0.656 nan 8.290 nan 0.000 0.502 2133 K N -0.570 119.807 120.400 -0.039 0.000 2.482 2133 K HA 0.558 4.878 4.320 0.001 0.000 0.257 2133 K C -3.022 173.511 176.600 -0.113 0.000 0.969 2133 K CA -2.416 53.822 56.287 -0.081 0.000 0.842 2133 K CB 2.538 34.989 32.500 -0.081 0.000 1.359 2133 K HN -0.091 nan 8.250 nan 0.000 0.441 2134 P HA 0.010 nan 4.420 nan 0.000 0.271 2134 P C 0.331 177.475 177.300 -0.260 0.000 1.216 2134 P CA -0.374 62.563 63.100 -0.271 0.000 0.776 2134 P CB 0.557 31.908 31.700 -0.582 0.000 0.881 2135 L N 4.768 125.943 121.223 -0.080 0.000 2.043 2135 L HA -0.184 4.156 4.340 0.001 0.000 0.212 2135 L C 1.826 178.698 176.870 0.004 0.000 1.075 2135 L CA 2.004 56.849 54.840 0.009 0.000 0.752 2135 L CB -1.457 40.639 42.059 0.062 0.000 0.891 2135 L HN 0.430 nan 8.230 nan 0.000 0.432 2136 F N -1.402 118.541 119.950 -0.011 0.000 2.234 2136 F HA -0.052 4.475 4.527 0.001 0.000 0.299 2136 F C 2.199 178.004 175.800 0.008 0.000 1.087 2136 F CA 0.767 58.758 58.000 -0.016 0.000 1.340 2136 F CB -0.859 38.130 39.000 -0.019 0.000 1.031 2136 F HN -0.087 nan 8.300 nan 0.000 0.500 2137 R N 0.923 121.061 120.500 -0.603 0.000 2.073 2137 R HA -0.021 4.319 4.340 0.001 0.000 0.229 2137 R C 2.242 178.474 176.300 -0.113 0.000 1.120 2137 R CA 1.194 57.078 56.100 -0.361 0.000 0.967 2137 R CB -1.251 28.755 30.300 -0.490 0.000 0.862 2137 R HN 0.409 nan 8.270 nan 0.000 0.436 2138 L N 1.278 122.448 121.223 -0.088 0.000 2.046 2138 L HA -0.114 4.227 4.340 0.001 0.000 0.208 2138 L C 2.182 179.113 176.870 0.103 0.000 1.077 2138 L CA 1.546 56.403 54.840 0.028 0.000 0.747 2138 L CB -0.533 41.572 42.059 0.075 0.000 0.896 2138 L HN 0.076 nan 8.230 nan 0.000 0.432 2139 L N -0.805 120.479 121.223 0.102 0.000 2.017 2139 L HA -0.207 4.133 4.340 0.001 0.000 0.208 2139 L C 2.684 179.669 176.870 0.191 0.000 1.073 2139 L CA 1.300 56.227 54.840 0.144 0.000 0.745 2139 L CB -0.927 41.143 42.059 0.018 0.000 0.894 2139 L HN 0.396 nan 8.230 nan 0.000 0.432 2140 A N -0.369 122.520 122.820 0.115 0.000 1.908 2140 A HA -0.281 4.039 4.320 0.001 0.000 0.218 2140 A C 2.224 179.890 177.584 0.136 0.000 1.181 2140 A CA 1.986 54.093 52.037 0.118 0.000 0.627 2140 A CB -0.553 18.509 19.000 0.104 0.000 0.818 2140 A HN 0.482 nan 8.150 nan 0.000 0.445 2141 E N -0.372 119.889 120.200 0.101 0.000 2.038 2141 E HA -0.220 4.130 4.350 0.001 0.000 0.195 2141 E C 2.232 178.889 176.600 0.094 0.000 1.000 2141 E CA 1.276 57.722 56.400 0.078 0.000 0.803 2141 E CB -0.098 29.632 29.700 0.049 0.000 0.750 2141 E HN 0.594 nan 8.360 nan 0.000 0.448 2142 R N -0.934 119.644 120.500 0.129 0.000 2.193 2142 R HA -0.106 4.234 4.340 0.001 0.000 0.229 2142 R C 1.414 177.712 176.300 -0.003 0.000 1.110 2142 R CA 1.216 57.366 56.100 0.084 0.000 0.988 2142 R CB -0.146 30.236 30.300 0.137 0.000 0.871 2142 R HN 0.290 nan 8.270 nan 0.000 0.458 2143 H N -1.275 117.823 119.070 0.047 0.000 2.529 2143 H HA 0.224 4.781 4.556 0.001 0.000 0.277 2143 H C 0.920 176.269 175.328 0.034 0.000 1.004 2143 H CA 0.486 56.557 56.048 0.039 0.000 1.167 2143 H CB 0.852 30.638 29.762 0.040 0.000 1.445 2143 H HN 0.351 nan 8.280 nan 0.000 0.554 2144 G N 0.853 109.718 108.800 0.109 0.000 2.198 2144 G HA2 -0.251 3.709 3.960 0.001 0.000 0.260 2144 G HA3 -0.251 3.709 3.960 0.001 0.000 0.260 2144 G C 0.266 175.212 174.900 0.077 0.000 1.025 2144 G CA 0.662 45.805 45.100 0.072 0.000 0.769 2144 G HN 0.539 nan 8.290 nan 0.000 0.507 2145 V N -5.075 114.896 119.914 0.095 0.000 3.158 2145 V HA 0.881 5.002 4.120 0.001 0.000 0.311 2145 V C 0.041 176.180 176.094 0.075 0.000 1.181 2145 V CA -1.859 60.488 62.300 0.079 0.000 1.054 2145 V CB 1.688 33.560 31.823 0.083 0.000 1.085 2145 V HN 0.212 nan 8.190 nan 0.000 0.446 2146 K N 1.235 121.675 120.400 0.067 0.000 2.143 2146 K HA 0.784 5.104 4.320 0.001 0.000 0.272 2146 K C -0.054 176.599 176.600 0.089 0.000 1.001 2146 K CA -0.046 56.283 56.287 0.071 0.000 0.915 2146 K CB 1.809 34.345 32.500 0.059 0.000 1.047 2146 K HN 1.079 nan 8.250 nan 0.000 0.458 2147 A N 2.212 125.105 122.820 0.122 0.000 2.322 2147 A HA 0.200 4.520 4.320 0.001 0.000 0.269 2147 A C -0.286 177.383 177.584 0.142 0.000 1.094 2147 A CA -0.454 51.684 52.037 0.169 0.000 0.807 2147 A CB 0.326 19.524 19.000 0.329 0.000 1.047 2147 A HN 0.714 nan 8.150 nan 0.000 0.487 2148 N N 1.586 120.344 118.700 0.097 0.000 2.518 2148 N HA 0.324 5.064 4.740 0.001 0.000 0.254 2148 N C -2.014 173.482 175.510 -0.024 0.000 0.979 2148 N CA -2.142 50.937 53.050 0.049 0.000 0.930 2148 N CB 1.702 40.216 38.487 0.044 0.000 1.152 2148 N HN 0.294 nan 8.380 nan 0.000 0.505 2149 P HA -0.052 nan 4.420 nan 0.000 0.230 2149 P C 0.055 177.255 177.300 -0.167 0.000 1.158 2149 P CA 0.377 63.341 63.100 -0.227 0.000 0.769 2149 P CB 0.523 32.156 31.700 -0.110 0.000 0.807 2150 R N 0.962 121.423 120.500 -0.065 0.000 2.216 2150 R HA 0.369 4.709 4.340 0.001 0.000 0.332 2150 R C -1.003 175.336 176.300 0.066 0.000 1.056 2150 R CA -0.208 55.885 56.100 -0.012 0.000 0.901 2150 R CB 0.357 30.650 30.300 -0.011 0.000 1.039 2150 R HN -0.161 nan 8.270 nan 0.000 0.456 2151 V N 6.652 126.601 119.914 0.058 0.000 2.448 2151 V HA 0.247 4.368 4.120 0.001 0.000 0.295 2151 V C -0.242 175.891 176.094 0.065 0.000 1.025 2151 V CA -0.900 61.445 62.300 0.075 0.000 0.859 2151 V CB 1.244 33.044 31.823 -0.038 0.000 0.988 2151 V HN 0.656 nan 8.190 nan 0.000 0.431 2152 F N 6.936 126.827 119.950 -0.098 0.000 2.495 2152 F HA 0.557 5.084 4.527 0.001 0.000 0.365 2152 F C 0.050 175.716 175.800 -0.225 0.000 1.090 2152 F CA -0.079 57.628 58.000 -0.489 0.000 1.235 2152 F CB 0.913 39.698 39.000 -0.358 0.000 1.119 2152 F HN 0.417 nan 8.300 nan 0.000 0.562 2153 V N 5.494 124.805 119.914 -1.004 0.000 2.686 2153 V HA 0.544 4.665 4.120 0.001 0.000 0.306 2153 V C -1.488 174.157 176.094 -0.748 0.000 1.065 2153 V CA -0.874 60.971 62.300 -0.758 0.000 0.894 2153 V CB 0.921 32.591 31.823 -0.255 0.000 1.004 2153 V HN 0.902 nan 8.190 nan 0.000 0.424 2154 Y N 3.155 122.996 120.300 -0.765 0.000 2.528 2154 Y HA 0.962 5.512 4.550 0.001 0.000 0.335 2154 Y C 0.059 175.600 175.900 -0.598 0.000 1.093 2154 Y CA -0.929 56.833 58.100 -0.563 0.000 1.134 2154 Y CB 1.787 39.896 38.460 -0.585 0.000 1.253 2154 Y HN 1.029 nan 8.280 nan 0.000 0.478 2155 A N 2.120 124.463 122.820 -0.794 0.000 2.260 2155 A HA 0.771 5.092 4.320 0.001 0.000 0.308 2155 A C -0.477 176.651 177.584 -0.759 0.000 1.254 2155 A CA -0.308 50.971 52.037 -1.263 0.000 0.874 2155 A CB -0.477 17.379 19.000 -1.907 0.000 1.153 2155 A HN 1.225 nan 8.150 nan 0.000 0.527 2156 A N 2.322 124.656 122.820 -0.811 0.000 2.276 2156 A HA 0.837 5.157 4.320 0.001 0.000 0.316 2156 A C 0.705 178.120 177.584 -0.283 0.000 1.229 2156 A CA 0.339 52.119 52.037 -0.428 0.000 0.851 2156 A CB 0.605 19.274 19.000 -0.552 0.000 1.165 2156 A HN 2.117 nan 8.150 nan 0.000 0.513 2157 G N 0.584 109.259 108.800 -0.208 0.000 2.927 2157 G HA2 0.524 4.484 3.960 0.001 0.000 0.111 2157 G HA3 0.524 4.484 3.960 0.001 0.000 0.111 2157 G C 0.621 175.182 174.900 -0.566 0.000 1.198 2157 G CA 0.715 45.585 45.100 -0.383 0.000 1.382 2157 G HN 2.246 nan 8.290 nan 0.000 0.663 2158 G N 0.007 108.650 108.800 -0.263 0.000 2.351 2158 G HA2 -0.111 3.849 3.960 0.001 0.000 0.297 2158 G HA3 -0.111 3.849 3.960 0.001 0.000 0.297 2158 G C 0.079 174.766 174.900 -0.356 0.000 1.054 2158 G CA 0.711 45.697 45.100 -0.189 0.000 1.123 2158 G HN 0.893 nan 8.290 nan 0.000 0.512 2159 Y N -1.291 118.959 120.300 -0.083 0.000 2.289 2159 Y HA 0.584 5.134 4.550 0.001 0.000 0.332 2159 Y C 1.082 176.682 175.900 -0.500 0.000 1.324 2159 Y CA -0.529 57.390 58.100 -0.301 0.000 1.478 2159 Y CB 0.500 38.714 38.460 -0.411 0.000 1.378 2159 Y HN 0.299 nan 8.280 nan 0.000 0.558 2160 Y N -0.473 119.734 120.300 -0.155 0.000 2.334 2160 Y HA 0.289 4.839 4.550 0.001 0.000 0.328 2160 Y C -0.980 174.718 175.900 -0.337 0.000 1.130 2160 Y CA -0.504 57.531 58.100 -0.108 0.000 1.163 2160 Y CB 0.604 39.057 38.460 -0.013 0.000 1.207 2160 Y HN 0.373 nan 8.280 nan 0.000 0.471 2161 Y N 3.539 123.963 120.300 0.208 0.000 2.658 2161 Y HA 0.270 4.820 4.550 0.001 0.000 0.362 2161 Y C -2.277 173.688 175.900 0.108 0.000 1.017 2161 Y CA -2.871 55.304 58.100 0.124 0.000 1.134 2161 Y CB 0.155 38.659 38.460 0.073 0.000 1.144 2161 Y HN 0.404 nan 8.280 nan 0.000 0.655 2162 P HA 0.061 nan 4.420 nan 0.000 0.263 2162 P C 0.979 178.345 177.300 0.110 0.000 1.195 2162 P CA 1.377 64.556 63.100 0.131 0.000 0.762 2162 P CB 1.262 33.010 31.700 0.081 0.000 0.799 2163 G N 1.734 110.589 108.800 0.092 0.000 2.176 2163 G HA2 -0.178 3.782 3.960 0.001 0.000 0.253 2163 G HA3 -0.178 3.782 3.960 0.001 0.000 0.253 2163 G C 0.165 175.107 174.900 0.069 0.000 0.979 2163 G CA 0.025 45.167 45.100 0.069 0.000 0.641 2163 G HN 0.588 nan 8.290 nan 0.000 0.530 2164 K N 0.173 120.630 120.400 0.095 0.000 2.313 2164 K HA 0.748 5.068 4.320 0.001 0.000 0.235 2164 K C 0.815 177.450 176.600 0.058 0.000 1.035 2164 K CA -0.062 56.266 56.287 0.069 0.000 0.868 2164 K CB 0.936 33.485 32.500 0.083 0.000 1.232 2164 K HN 0.363 nan 8.250 nan 0.000 0.459 2165 G N -0.197 108.612 108.800 0.016 0.000 2.537 2165 G HA2 0.349 4.310 3.960 0.001 0.000 0.297 2165 G HA3 0.349 4.310 3.960 0.001 0.000 0.297 2165 G C 0.667 175.567 174.900 -0.001 0.000 1.310 2165 G CA -0.626 44.480 45.100 0.010 0.000 1.027 2165 G HN 0.374 nan 8.290 nan 0.000 0.505 2166 L N 0.566 121.789 121.223 -0.001 0.000 2.552 2166 L HA -0.032 4.308 4.340 0.001 0.000 0.227 2166 L C 3.026 179.858 176.870 -0.064 0.000 1.146 2166 L CA 1.003 55.837 54.840 -0.010 0.000 0.858 2166 L CB -0.131 41.929 42.059 0.001 0.000 0.969 2166 L HN 0.667 nan 8.230 nan 0.000 0.451 2167 S N -0.310 115.344 115.700 -0.077 0.000 2.399 2167 S HA -0.274 4.196 4.470 0.001 0.000 0.231 2167 S C 1.915 176.408 174.600 -0.178 0.000 1.022 2167 S CA 1.127 59.265 58.200 -0.103 0.000 0.983 2167 S CB -0.280 62.870 63.200 -0.083 0.000 0.803 2167 S HN 0.363 nan 8.310 nan 0.000 0.480 2168 M N 1.115 120.554 119.600 -0.268 0.000 2.117 2168 M HA 0.150 4.630 4.480 0.001 0.000 0.262 2168 M C 2.088 178.050 176.300 -0.563 0.000 1.065 2168 M CA 1.320 56.302 55.300 -0.531 0.000 1.114 2168 M CB -0.356 31.714 32.600 -0.883 0.000 1.361 2168 M HN 0.410 nan 8.290 nan 0.000 0.408 2169 L N -0.600 120.420 121.223 -0.339 0.000 2.027 2169 L HA -0.231 4.110 4.340 0.001 0.000 0.206 2169 L C 2.436 179.233 176.870 -0.122 0.000 1.074 2169 L CA 1.504 56.281 54.840 -0.105 0.000 0.745 2169 L CB -0.349 41.720 42.059 0.017 0.000 0.898 2169 L HN 0.301 nan 8.230 nan 0.000 0.433 2170 R N -0.562 119.866 120.500 -0.120 0.000 2.083 2170 R HA -0.156 4.184 4.340 0.001 0.000 0.237 2170 R C 2.176 178.396 176.300 -0.133 0.000 1.137 2170 R CA 1.382 57.420 56.100 -0.104 0.000 0.951 2170 R CB -0.811 29.439 30.300 -0.082 0.000 0.851 2170 R HN 0.484 nan 8.270 nan 0.000 0.434 2171 G N 0.817 109.519 108.800 -0.162 0.000 2.422 2171 G HA2 -0.296 3.664 3.960 0.001 0.000 0.218 2171 G HA3 -0.296 3.664 3.960 0.001 0.000 0.218 2171 G C 1.266 176.032 174.900 -0.223 0.000 1.146 2171 G CA 0.517 45.516 45.100 -0.169 0.000 0.769 2171 G HN 0.383 nan 8.290 nan 0.000 0.547 2172 E N -0.300 119.742 120.200 -0.263 0.000 2.058 2172 E HA -0.153 4.197 4.350 0.001 0.000 0.194 2172 E C 2.512 178.716 176.600 -0.660 0.000 0.997 2172 E CA 1.074 57.245 56.400 -0.382 0.000 0.801 2172 E CB -0.100 29.486 29.700 -0.190 0.000 0.746 2172 E HN 0.264 nan 8.360 nan 0.000 0.450 2173 M N 0.367 119.735 119.600 -0.386 0.000 2.175 2173 M HA -0.087 4.393 4.480 0.001 0.000 0.264 2173 M C 2.281 178.475 176.300 -0.177 0.000 1.063 2173 M CA 1.099 56.237 55.300 -0.270 0.000 1.119 2173 M CB -1.077 31.472 32.600 -0.085 0.000 1.377 2173 M HN 0.006 nan 8.290 nan 0.000 0.415 2174 R N 0.987 121.395 120.500 -0.154 0.000 2.096 2174 R HA -0.042 4.298 4.340 0.001 0.000 0.235 2174 R C 2.161 178.418 176.300 -0.072 0.000 1.127 2174 R CA 1.968 58.019 56.100 -0.082 0.000 0.968 2174 R CB -1.381 28.873 30.300 -0.076 0.000 0.861 2174 R HN 0.385 nan 8.270 nan 0.000 0.440 2175 G N -0.696 108.006 108.800 -0.163 0.000 2.440 2175 G HA2 -0.268 3.692 3.960 0.001 0.000 0.218 2175 G HA3 -0.268 3.692 3.960 0.001 0.000 0.218 2175 G C 0.975 175.912 174.900 0.063 0.000 1.154 2175 G CA 0.968 46.008 45.100 -0.100 0.000 0.767 2175 G HN 0.345 nan 8.290 nan 0.000 0.552 2176 Y N 0.243 120.573 120.300 0.049 0.000 2.145 2176 Y HA 0.023 4.574 4.550 0.001 0.000 0.286 2176 Y C 2.745 178.762 175.900 0.195 0.000 1.145 2176 Y CA 0.095 58.264 58.100 0.114 0.000 1.148 2176 Y CB -1.110 37.316 38.460 -0.057 0.000 0.981 2176 Y HN 0.044 nan 8.280 nan 0.000 0.507 2177 L N 0.204 121.571 121.223 0.240 0.000 2.083 2177 L HA -0.205 4.136 4.340 0.001 0.000 0.209 2177 L C 1.898 178.836 176.870 0.113 0.000 1.083 2177 L CA 1.722 56.655 54.840 0.156 0.000 0.752 2177 L CB -0.878 41.230 42.059 0.081 0.000 0.899 2177 L HN 0.142 nan 8.230 nan 0.000 0.433 2178 D N -0.718 119.739 120.400 0.094 0.000 2.218 2178 D HA -0.119 4.522 4.640 0.001 0.000 0.204 2178 D C 2.025 178.368 176.300 0.071 0.000 0.976 2178 D CA 0.661 54.697 54.000 0.062 0.000 0.853 2178 D CB -0.062 40.764 40.800 0.043 0.000 0.939 2178 D HN 0.241 nan 8.370 nan 0.000 0.481 2179 R N -0.328 120.253 120.500 0.135 0.000 2.313 2179 R HA 0.126 4.466 4.340 0.001 0.000 0.199 2179 R C 1.394 177.664 176.300 -0.051 0.000 0.958 2179 R CA 0.678 56.844 56.100 0.110 0.000 1.047 2179 R CB 0.229 30.707 30.300 0.296 0.000 0.955 2179 R HN 0.248 nan 8.270 nan 0.000 0.481 2180 G N 0.041 108.822 108.800 -0.031 0.000 2.179 2180 G HA2 -0.268 3.692 3.960 0.001 0.000 0.220 2180 G HA3 -0.268 3.692 3.960 0.001 0.000 0.220 2180 G C -0.227 174.572 174.900 -0.168 0.000 0.990 2180 G CA -0.386 44.638 45.100 -0.127 0.000 0.646 2180 G HN 0.266 nan 8.290 nan 0.000 0.517 2181 Y N 1.535 121.830 120.300 -0.008 0.000 2.411 2181 Y HA 0.353 4.903 4.550 0.001 0.000 0.333 2181 Y C 1.628 177.515 175.900 -0.022 0.000 1.186 2181 Y CA 0.652 58.726 58.100 -0.043 0.000 1.381 2181 Y CB 0.588 39.010 38.460 -0.063 0.000 1.273 2181 Y HN 0.376 nan 8.280 nan 0.000 0.546 2182 N N -0.283 118.492 118.700 0.125 0.000 2.200 2182 N HA 0.282 5.023 4.740 0.001 0.000 0.224 2182 N C -1.348 174.153 175.510 -0.015 0.000 1.179 2182 N CA -0.002 53.085 53.050 0.061 0.000 0.877 2182 N CB 0.690 39.212 38.487 0.059 0.000 1.072 2182 N HN 0.244 nan 8.380 nan 0.000 0.519 2183 V N 1.571 121.469 119.914 -0.028 0.000 2.655 2183 V HA 0.378 4.498 4.120 0.001 0.000 0.301 2183 V C -0.533 175.458 176.094 -0.170 0.000 1.082 2183 V CA -0.885 61.283 62.300 -0.221 0.000 0.899 2183 V CB 1.778 33.354 31.823 -0.413 0.000 1.014 2183 V HN 0.158 nan 8.190 nan 0.000 0.429 2184 V N 1.798 121.598 119.914 -0.190 0.000 2.914 2184 V HA 0.813 4.933 4.120 0.001 0.000 0.314 2184 V C -0.752 175.227 176.094 -0.192 0.000 1.084 2184 V CA -0.928 61.285 62.300 -0.144 0.000 0.963 2184 V CB 2.069 33.891 31.823 -0.002 0.000 1.025 2184 V HN 0.867 nan 8.190 nan 0.000 0.432 2185 K N 3.833 124.147 120.400 -0.144 0.000 2.316 2185 K HA 0.829 5.149 4.320 0.001 0.000 0.251 2185 K C -0.811 175.728 176.600 -0.103 0.000 0.934 2185 K CA -0.892 55.302 56.287 -0.156 0.000 0.802 2185 K CB 2.122 34.558 32.500 -0.107 0.000 1.171 2185 K HN 1.053 nan 8.250 nan 0.000 0.426 2186 M N 0.975 120.515 119.600 -0.099 0.000 2.644 2186 M HA 0.512 4.993 4.480 0.001 0.000 0.304 2186 M C -1.229 175.010 176.300 -0.102 0.000 1.215 2186 M CA -0.967 54.256 55.300 -0.129 0.000 0.871 2186 M CB 2.136 34.664 32.600 -0.120 0.000 1.740 2186 M HN 0.247 nan 8.290 nan 0.000 0.464 2187 K N 2.302 122.603 120.400 -0.165 0.000 2.185 2187 K HA 0.729 5.049 4.320 0.001 0.000 0.271 2187 K C -0.617 175.972 176.600 -0.019 0.000 1.013 2187 K CA -0.456 55.794 56.287 -0.061 0.000 0.943 2187 K CB 1.274 33.766 32.500 -0.014 0.000 0.998 2187 K HN 0.770 nan 8.250 nan 0.000 0.468 2188 I N -3.508 117.133 120.570 0.119 0.000 3.074 2188 I HA 0.629 4.799 4.170 0.001 0.000 0.310 2188 I C 0.519 176.770 176.117 0.225 0.000 1.153 2188 I CA -0.803 60.640 61.300 0.238 0.000 0.993 2188 I CB 2.227 40.357 38.000 0.218 0.000 1.237 2188 I HN 0.709 nan 8.210 nan 0.000 0.443 2189 G N 1.739 110.730 108.800 0.319 0.000 2.175 2189 G HA2 -0.206 3.754 3.960 0.001 0.000 0.244 2189 G HA3 -0.206 3.754 3.960 0.001 0.000 0.244 2189 G C 0.803 175.807 174.900 0.174 0.000 0.982 2189 G CA 0.167 45.435 45.100 0.280 0.000 0.641 2189 G HN 1.426 nan 8.290 nan 0.000 0.527 2190 G N -0.328 108.523 108.800 0.085 0.000 3.233 2190 G HA2 0.742 4.702 3.960 0.001 0.000 0.227 2190 G HA3 0.742 4.702 3.960 0.001 0.000 0.227 2190 G C 0.377 174.959 174.900 -0.530 0.000 1.175 2190 G CA 1.601 46.453 45.100 -0.414 0.000 0.781 2190 G HN 1.806 nan 8.290 nan 0.000 0.542 2191 A N -0.584 122.181 122.820 -0.091 0.000 2.586 2191 A HA 0.764 5.084 4.320 0.001 0.000 0.290 2191 A C -3.082 174.596 177.584 0.157 0.000 1.086 2191 A CA -1.120 50.927 52.037 0.018 0.000 0.665 2191 A CB 0.549 19.616 19.000 0.113 0.000 1.279 2191 A HN -0.016 nan 8.150 nan 0.000 0.423 2192 P HA 0.125 nan 4.420 nan 0.000 0.266 2192 P C 1.080 178.451 177.300 0.119 0.000 1.193 2192 P CA -0.092 63.070 63.100 0.104 0.000 0.770 2192 P CB 0.438 32.170 31.700 0.055 0.000 0.836 2193 I N 1.736 122.322 120.570 0.025 0.000 2.248 2193 I HA -0.292 3.879 4.170 0.001 0.000 0.248 2193 I C 1.638 177.687 176.117 -0.112 0.000 1.107 2193 I CA 1.739 62.922 61.300 -0.196 0.000 1.373 2193 I CB 0.107 37.784 38.000 -0.538 0.000 1.055 2193 I HN 0.340 nan 8.210 nan 0.000 0.418 2194 E N 0.322 120.490 120.200 -0.053 0.000 2.152 2194 E HA -0.255 4.095 4.350 0.001 0.000 0.192 2194 E C 1.888 178.501 176.600 0.023 0.000 0.983 2194 E CA 0.949 57.337 56.400 -0.020 0.000 0.818 2194 E CB -0.178 29.516 29.700 -0.011 0.000 0.758 2194 E HN 0.625 nan 8.360 nan 0.000 0.467 2195 E N 0.696 120.929 120.200 0.056 0.000 2.072 2195 E HA -0.174 4.177 4.350 0.001 0.000 0.191 2195 E C 1.316 177.984 176.600 0.114 0.000 0.985 2195 E CA 1.012 57.466 56.400 0.091 0.000 0.801 2195 E CB 0.177 29.950 29.700 0.122 0.000 0.750 2195 E HN 0.056 nan 8.360 nan 0.000 0.452 2196 D N 0.145 120.637 120.400 0.153 0.000 2.144 2196 D HA -0.170 4.471 4.640 0.001 0.000 0.199 2196 D C 1.956 178.291 176.300 0.058 0.000 0.984 2196 D CA 0.677 54.782 54.000 0.175 0.000 0.834 2196 D CB -0.239 40.761 40.800 0.334 0.000 0.955 2196 D HN 0.153 nan 8.370 nan 0.000 0.465 2197 R N 0.097 120.605 120.500 0.014 0.000 2.096 2197 R HA -0.117 4.223 4.340 0.001 0.000 0.235 2197 R C 1.954 178.219 176.300 -0.058 0.000 1.127 2197 R CA 1.001 57.075 56.100 -0.044 0.000 0.968 2197 R CB -0.033 30.269 30.300 0.004 0.000 0.861 2197 R HN 0.077 nan 8.270 nan 0.000 0.440 2198 M N 0.242 119.838 119.600 -0.006 0.000 2.175 2198 M HA -0.097 4.383 4.480 0.001 0.000 0.264 2198 M C 2.105 178.394 176.300 -0.019 0.000 1.063 2198 M CA 1.516 56.815 55.300 -0.003 0.000 1.119 2198 M CB -0.757 31.857 32.600 0.023 0.000 1.377 2198 M HN 0.157 nan 8.290 nan 0.000 0.415 2199 R N -0.045 120.450 120.500 -0.009 0.000 2.092 2199 R HA -0.010 4.330 4.340 0.001 0.000 0.231 2199 R C 2.210 178.468 176.300 -0.070 0.000 1.119 2199 R CA 1.078 57.164 56.100 -0.024 0.000 0.970 2199 R CB -0.348 29.942 30.300 -0.017 0.000 0.864 2199 R HN 0.323 nan 8.270 nan 0.000 0.440 2200 I N 0.945 121.447 120.570 -0.113 0.000 2.202 2200 I HA -0.238 3.933 4.170 0.001 0.000 0.242 2200 I C 2.041 178.031 176.117 -0.212 0.000 1.091 2200 I CA 1.408 62.592 61.300 -0.194 0.000 1.368 2200 I CB -0.241 37.565 38.000 -0.324 0.000 1.058 2200 I HN 0.205 nan 8.210 nan 0.000 0.410 2201 E N 1.031 121.110 120.200 -0.202 0.000 2.110 2201 E HA -0.198 4.152 4.350 0.001 0.000 0.193 2201 E C 2.344 178.914 176.600 -0.050 0.000 0.988 2201 E CA 1.227 57.563 56.400 -0.108 0.000 0.804 2201 E CB -0.183 29.499 29.700 -0.029 0.000 0.745 2201 E HN 0.517 nan 8.360 nan 0.000 0.458 2202 A N 1.198 123.990 122.820 -0.047 0.000 1.877 2202 A HA -0.144 4.176 4.320 0.001 0.000 0.216 2202 A C 2.542 180.103 177.584 -0.038 0.000 1.186 2202 A CA 1.242 53.260 52.037 -0.032 0.000 0.620 2202 A CB -0.678 18.305 19.000 -0.028 0.000 0.822 2202 A HN 0.109 nan 8.150 nan 0.000 0.443 2203 V N -0.332 119.550 119.914 -0.052 0.000 2.307 2203 V HA -0.198 3.922 4.120 0.001 0.000 0.245 2203 V C 2.476 178.548 176.094 -0.036 0.000 1.045 2203 V CA 1.695 63.966 62.300 -0.049 0.000 1.024 2203 V CB -0.765 31.023 31.823 -0.059 0.000 0.651 2203 V HN 0.469 nan 8.190 nan 0.000 0.449 2204 L N 0.143 121.342 121.223 -0.041 0.000 2.079 2204 L HA -0.198 4.142 4.340 0.001 0.000 0.210 2204 L C 2.470 179.343 176.870 0.005 0.000 1.081 2204 L CA 2.119 56.952 54.840 -0.011 0.000 0.752 2204 L CB -0.979 41.079 42.059 -0.001 0.000 0.896 2204 L HN 0.506 nan 8.230 nan 0.000 0.433 2205 E N -0.960 119.240 120.200 0.000 0.000 2.072 2205 E HA -0.252 4.098 4.350 0.001 0.000 0.190 2205 E C 2.024 178.623 176.600 -0.002 0.000 0.982 2205 E CA 0.915 57.318 56.400 0.006 0.000 0.803 2205 E CB 0.146 29.849 29.700 0.005 0.000 0.755 2205 E HN 0.430 nan 8.360 nan 0.000 0.453 2206 E N 1.145 121.337 120.200 -0.013 0.000 2.051 2206 E HA -0.189 4.161 4.350 0.001 0.000 0.192 2206 E C 2.123 178.716 176.600 -0.011 0.000 0.991 2206 E CA 1.923 58.312 56.400 -0.018 0.000 0.799 2206 E CB -0.416 29.264 29.700 -0.033 0.000 0.748 2206 E HN 0.581 nan 8.360 nan 0.000 0.449 2207 I N -3.036 117.529 120.570 -0.008 0.000 2.761 2207 I HA 0.200 4.370 4.170 0.001 0.000 0.261 2207 I C 1.643 177.764 176.117 0.007 0.000 1.198 2207 I CA 0.687 61.988 61.300 0.001 0.000 1.482 2207 I CB -0.866 37.135 38.000 0.001 0.000 1.100 2207 I HN 0.222 nan 8.210 nan 0.000 0.445 2208 G N 2.734 111.540 108.800 0.009 0.000 2.652 2208 G HA2 -0.398 3.563 3.960 0.001 0.000 0.318 2208 G HA3 -0.398 3.563 3.960 0.001 0.000 0.318 2208 G C 0.706 175.617 174.900 0.019 0.000 1.295 2208 G CA 0.861 45.970 45.100 0.015 0.000 0.999 2208 G HN 0.520 nan 8.290 nan 0.000 0.548 2209 K N 0.965 121.377 120.400 0.019 0.000 2.444 2209 K HA 0.125 4.446 4.320 0.001 0.000 0.193 2209 K C 1.085 177.697 176.600 0.019 0.000 1.024 2209 K CA 0.551 56.850 56.287 0.021 0.000 1.077 2209 K CB 0.218 32.730 32.500 0.019 0.000 0.833 2209 K HN 0.397 nan 8.250 nan 0.000 0.517 2210 D N 0.585 120.996 120.400 0.017 0.000 2.349 2210 D HA 0.058 4.699 4.640 0.001 0.000 0.215 2210 D C 0.234 176.546 176.300 0.019 0.000 1.016 2210 D CA 0.369 54.380 54.000 0.019 0.000 0.870 2210 D CB 0.644 41.456 40.800 0.020 0.000 0.917 2210 D HN 0.161 nan 8.370 nan 0.000 0.524 2211 A N -0.030 122.796 122.820 0.011 0.000 2.601 2211 A HA 0.519 4.839 4.320 0.001 0.000 0.291 2211 A C -1.269 176.302 177.584 -0.022 0.000 1.075 2211 A CA -0.722 51.312 52.037 -0.006 0.000 0.671 2211 A CB 1.563 20.566 19.000 0.005 0.000 1.277 2211 A HN -0.099 nan 8.150 nan 0.000 0.417 2212 Q N -0.508 119.246 119.800 -0.076 0.000 2.297 2212 Q HA 0.668 5.008 4.340 0.001 0.000 0.268 2212 Q C -1.466 174.465 176.000 -0.116 0.000 1.045 2212 Q CA -0.883 54.881 55.803 -0.066 0.000 0.861 2212 Q CB 2.553 31.254 28.738 -0.062 0.000 1.344 2212 Q HN 0.640 nan 8.270 nan 0.000 0.452 2213 L N 1.029 122.224 121.223 -0.046 0.000 2.341 2213 L HA 0.785 5.126 4.340 0.001 0.000 0.278 2213 L C -1.476 175.342 176.870 -0.087 0.000 1.005 2213 L CA -0.229 54.561 54.840 -0.083 0.000 0.818 2213 L CB 1.545 43.578 42.059 -0.044 0.000 1.259 2213 L HN 0.717 nan 8.230 nan 0.000 0.418 2214 A N 4.319 126.994 122.820 -0.241 0.000 2.330 2214 A HA 0.869 5.189 4.320 0.001 0.000 0.329 2214 A C -1.013 176.482 177.584 -0.147 0.000 1.135 2214 A CA -0.174 51.657 52.037 -0.344 0.000 0.817 2214 A CB 1.675 20.007 19.000 -1.113 0.000 1.269 2214 A HN 1.177 nan 8.150 nan 0.000 0.469 2215 V N -1.036 118.898 119.914 0.033 0.000 2.823 2215 V HA 0.797 4.917 4.120 0.001 0.000 0.312 2215 V C -1.353 174.886 176.094 0.242 0.000 1.072 2215 V CA -0.748 61.619 62.300 0.111 0.000 0.937 2215 V CB 1.990 33.882 31.823 0.115 0.000 1.013 2215 V HN 0.788 nan 8.190 nan 0.000 0.430 2216 D N 2.563 123.060 120.400 0.162 0.000 2.620 2216 D HA 0.709 5.349 4.640 0.001 0.000 0.252 2216 D C 0.454 176.768 176.300 0.024 0.000 1.207 2216 D CA 0.082 54.169 54.000 0.144 0.000 0.884 2216 D CB 2.209 43.096 40.800 0.145 0.000 1.262 2216 D HN 0.872 nan 8.370 nan 0.000 0.552 2217 A N 3.661 126.425 122.820 -0.092 0.000 2.218 2217 A HA 0.071 4.391 4.320 0.001 0.000 0.209 2217 A C 0.926 178.282 177.584 -0.379 0.000 1.168 2217 A CA -0.019 51.765 52.037 -0.422 0.000 0.804 2217 A CB -0.312 18.141 19.000 -0.912 0.000 0.834 2217 A HN 0.746 nan 8.150 nan 0.000 0.482 2218 N N -1.050 117.541 118.700 -0.182 0.000 2.721 2218 N HA -0.221 4.520 4.740 0.001 0.000 0.249 2218 N C 0.866 176.278 175.510 -0.164 0.000 1.072 2218 N CA 1.232 54.211 53.050 -0.118 0.000 0.710 2218 N CB -1.509 36.949 38.487 -0.050 0.000 0.993 2218 N HN 1.301 nan 8.380 nan 0.000 0.547 2219 G N -0.526 108.140 108.800 -0.224 0.000 2.187 2219 G HA2 -0.398 3.562 3.960 0.001 0.000 0.261 2219 G HA3 -0.398 3.562 3.960 0.001 0.000 0.261 2219 G C 1.073 175.856 174.900 -0.196 0.000 1.000 2219 G CA 0.935 45.919 45.100 -0.193 0.000 0.718 2219 G HN 0.603 nan 8.290 nan 0.000 0.519 2220 R N -1.242 119.060 120.500 -0.329 0.000 2.115 2220 R HA 0.150 4.490 4.340 0.001 0.000 0.226 2220 R C 0.730 177.038 176.300 0.013 0.000 1.100 2220 R CA 0.795 56.766 56.100 -0.215 0.000 0.980 2220 R CB -0.049 30.076 30.300 -0.292 0.000 0.875 2220 R HN 0.376 nan 8.270 nan 0.000 0.445 2221 F N 1.908 121.825 119.950 -0.056 0.000 2.375 2221 F HA 0.146 4.673 4.527 0.001 0.000 0.333 2221 F C 0.778 176.566 175.800 -0.019 0.000 1.104 2221 F CA -2.227 55.752 58.000 -0.035 0.000 1.149 2221 F CB 0.053 39.032 39.000 -0.034 0.000 1.190 2221 F HN 0.037 nan 8.300 nan 0.000 0.533 2222 N N 1.278 120.100 118.700 0.204 0.000 2.448 2222 N HA 0.238 4.978 4.740 0.001 0.000 0.274 2222 N C 0.802 176.372 175.510 0.099 0.000 1.239 2222 N CA -0.703 52.410 53.050 0.106 0.000 0.982 2222 N CB 0.082 38.609 38.487 0.067 0.000 1.199 2222 N HN 0.475 nan 8.380 nan 0.000 0.576 2223 L N -0.131 121.131 121.223 0.065 0.000 1.990 2223 L HA -0.156 4.185 4.340 0.001 0.000 0.213 2223 L C 1.871 178.753 176.870 0.021 0.000 1.072 2223 L CA 1.941 56.815 54.840 0.056 0.000 0.755 2223 L CB -0.982 41.108 42.059 0.053 0.000 0.889 2223 L HN 0.674 nan 8.230 nan 0.000 0.432 2224 E N -1.235 118.964 120.200 -0.001 0.000 2.058 2224 E HA -0.225 4.126 4.350 0.001 0.000 0.194 2224 E C 1.942 178.505 176.600 -0.062 0.000 0.997 2224 E CA 1.936 58.310 56.400 -0.043 0.000 0.801 2224 E CB -0.268 29.414 29.700 -0.030 0.000 0.746 2224 E HN 0.588 nan 8.360 nan 0.000 0.450 2225 T N 0.051 114.575 114.554 -0.051 0.000 2.821 2225 T HA -0.092 4.258 4.350 0.001 0.000 0.267 2225 T C 1.868 176.462 174.700 -0.177 0.000 1.046 2225 T CA 1.086 63.099 62.100 -0.146 0.000 1.139 2225 T CB -0.436 68.306 68.868 -0.210 0.000 0.871 2225 T HN 0.353 nan 8.240 nan 0.000 0.454 2226 G N 1.304 110.110 108.800 0.009 0.000 2.422 2226 G HA2 -0.132 3.828 3.960 0.001 0.000 0.218 2226 G HA3 -0.132 3.828 3.960 0.001 0.000 0.218 2226 G C 1.507 176.512 174.900 0.175 0.000 1.146 2226 G CA 0.455 45.684 45.100 0.215 0.000 0.769 2226 G HN 0.486 nan 8.290 nan 0.000 0.547 2227 I N 1.176 121.746 120.570 -0.001 0.000 2.286 2227 I HA -0.102 4.069 4.170 0.001 0.000 0.245 2227 I C 3.292 179.333 176.117 -0.126 0.000 1.104 2227 I CA 0.812 62.007 61.300 -0.174 0.000 1.397 2227 I CB -0.235 37.465 38.000 -0.500 0.000 1.072 2227 I HN 0.235 nan 8.210 nan 0.000 0.417 2228 A N 0.370 123.123 122.820 -0.112 0.000 1.883 2228 A HA -0.266 4.054 4.320 0.001 0.000 0.217 2228 A C 2.193 179.708 177.584 -0.115 0.000 1.186 2228 A CA 1.701 53.663 52.037 -0.126 0.000 0.624 2228 A CB -1.112 17.799 19.000 -0.148 0.000 0.822 2228 A HN 0.408 nan 8.150 nan 0.000 0.444 2229 Y N -0.257 119.952 120.300 -0.151 0.000 2.242 2229 Y HA -0.063 4.487 4.550 0.001 0.000 0.291 2229 Y C 2.890 178.740 175.900 -0.083 0.000 1.137 2229 Y CA 1.003 59.034 58.100 -0.115 0.000 1.181 2229 Y CB -0.296 38.101 38.460 -0.105 0.000 0.989 2229 Y HN 0.351 nan 8.280 nan 0.000 0.527 2230 A N 0.241 123.157 122.820 0.159 0.000 1.908 2230 A HA -0.245 4.076 4.320 0.001 0.000 0.218 2230 A C 2.146 179.885 177.584 0.259 0.000 1.181 2230 A CA 1.967 54.136 52.037 0.220 0.000 0.627 2230 A CB -0.494 18.744 19.000 0.397 0.000 0.818 2230 A HN 0.410 nan 8.150 nan 0.000 0.445 2231 K N -1.240 119.242 120.400 0.137 0.000 2.097 2231 K HA -0.086 4.235 4.320 0.001 0.000 0.206 2231 K C 2.171 178.816 176.600 0.075 0.000 1.049 2231 K CA 1.382 57.732 56.287 0.104 0.000 0.933 2231 K CB -0.228 32.289 32.500 0.029 0.000 0.717 2231 K HN 0.530 nan 8.250 nan 0.000 0.442 2232 M N 0.702 120.324 119.600 0.036 0.000 2.123 2232 M HA -0.095 4.385 4.480 0.001 0.000 0.263 2232 M C 1.761 178.183 176.300 0.204 0.000 1.069 2232 M CA 1.474 56.809 55.300 0.059 0.000 1.133 2232 M CB -0.204 32.361 32.600 -0.058 0.000 1.356 2232 M HN 0.044 nan 8.290 nan 0.000 0.415 2233 L N 1.288 122.625 121.223 0.191 0.000 2.083 2233 L HA -0.160 4.181 4.340 0.001 0.000 0.209 2233 L C 2.652 179.756 176.870 0.391 0.000 1.083 2233 L CA 1.879 56.895 54.840 0.294 0.000 0.752 2233 L CB -1.227 40.858 42.059 0.044 0.000 0.899 2233 L HN 0.448 nan 8.230 nan 0.000 0.433 2234 R N -0.971 119.733 120.500 0.339 0.000 2.241 2234 R HA -0.127 4.213 4.340 0.001 0.000 0.224 2234 R C 0.819 177.124 176.300 0.009 0.000 1.101 2234 R CA 1.361 57.540 56.100 0.132 0.000 0.995 2234 R CB -0.637 29.706 30.300 0.071 0.000 0.870 2234 R HN 0.291 nan 8.270 nan 0.000 0.463 2235 D N -0.158 120.208 120.400 -0.057 0.000 2.349 2235 D HA 0.013 4.653 4.640 0.001 0.000 0.224 2235 D C -0.449 175.567 176.300 -0.475 0.000 1.029 2235 D CA 0.708 54.529 54.000 -0.299 0.000 0.879 2235 D CB 0.070 40.597 40.800 -0.454 0.000 0.906 2235 D HN 0.237 nan 8.370 nan 0.000 0.528 2236 Y N -0.012 120.314 120.300 0.043 0.000 2.468 2236 Y HA 0.314 4.865 4.550 0.001 0.000 0.342 2236 Y C -1.762 174.169 175.900 0.053 0.000 1.021 2236 Y CA -2.588 55.539 58.100 0.046 0.000 1.079 2236 Y CB 1.296 39.788 38.460 0.053 0.000 1.226 2236 Y HN -0.233 nan 8.280 nan 0.000 0.460 2237 P HA 0.081 nan 4.420 nan 0.000 0.225 2237 P C -0.763 176.639 177.300 0.170 0.000 1.768 2237 P CA 0.058 63.243 63.100 0.142 0.000 0.943 2237 P CB -0.281 31.485 31.700 0.110 0.000 1.936 2238 L N 0.487 121.833 121.223 0.205 0.000 2.439 2238 L HA 0.124 4.465 4.340 0.001 0.000 0.269 2238 L C 1.771 178.792 176.870 0.251 0.000 1.179 2238 L CA 0.080 55.051 54.840 0.218 0.000 0.828 2238 L CB -0.673 41.547 42.059 0.268 0.000 1.106 2238 L HN 0.049 nan 8.230 nan 0.000 0.467 2239 F N 2.028 121.999 119.950 0.035 0.000 2.163 2239 F HA 0.028 4.555 4.527 0.001 0.000 0.297 2239 F C 0.194 176.163 175.800 0.282 0.000 1.094 2239 F CA 0.727 58.746 58.000 0.031 0.000 1.290 2239 F CB 0.254 39.102 39.000 -0.254 0.000 1.017 2239 F HN 0.556 nan 8.300 nan 0.000 0.483 2240 W N -1.863 119.578 121.300 0.235 0.000 3.057 2240 W HA 0.367 5.027 4.660 0.001 0.000 0.328 2240 W C -2.475 174.226 176.519 0.304 0.000 1.232 2240 W CA -2.176 55.318 57.345 0.248 0.000 1.187 2240 W CB -0.378 29.201 29.460 0.198 0.000 1.417 2240 W HN -0.141 nan 8.180 nan 0.000 0.569 2241 Y N 2.978 123.608 120.300 0.549 0.000 2.345 2241 Y HA 0.559 5.109 4.550 0.001 0.000 0.331 2241 Y C -0.587 175.435 175.900 0.203 0.000 0.959 2241 Y CA -2.073 56.176 58.100 0.248 0.000 1.204 2241 Y CB 1.056 39.403 38.460 -0.187 0.000 1.135 2241 Y HN 0.665 nan 8.280 nan 0.000 0.477 2242 E N 4.156 124.579 120.200 0.373 0.000 2.204 2242 E HA 0.229 4.579 4.350 0.001 0.000 0.276 2242 E C -0.610 175.929 176.600 -0.101 0.000 0.974 2242 E CA -0.601 55.835 56.400 0.060 0.000 0.815 2242 E CB 0.898 30.724 29.700 0.211 0.000 1.119 2242 E HN 0.748 nan 8.360 nan 0.000 0.393 2243 E N 2.492 122.587 120.200 -0.175 0.000 2.131 2243 E HA -0.234 4.116 4.350 0.001 0.000 0.166 2243 E C 0.395 176.833 176.600 -0.269 0.000 1.514 2243 E CA 0.106 56.389 56.400 -0.193 0.000 0.646 2243 E CB -0.604 29.014 29.700 -0.137 0.000 1.051 2243 E HN 0.492 nan 8.360 nan 0.000 0.315 2244 V N 1.122 120.827 119.914 -0.348 0.000 2.255 2244 V HA -0.153 3.967 4.120 0.001 0.000 0.247 2244 V C 1.475 177.440 176.094 -0.215 0.000 1.051 2244 V CA 2.218 64.311 62.300 -0.345 0.000 1.018 2244 V CB -0.395 31.213 31.823 -0.359 0.000 0.641 2244 V HN 0.604 nan 8.190 nan 0.000 0.445 2245 G N -1.729 106.988 108.800 -0.138 0.000 3.211 2245 G HA2 0.334 4.294 3.960 0.001 0.000 0.262 2245 G HA3 0.334 4.294 3.960 0.001 0.000 0.262 2245 G C -1.319 173.523 174.900 -0.098 0.000 1.352 2245 G CA -0.335 44.717 45.100 -0.081 0.000 1.004 2245 G HN 0.143 nan 8.290 nan 0.000 0.559 2246 D N 0.818 121.173 120.400 -0.075 0.000 2.648 2246 D HA -0.024 4.616 4.640 0.001 0.000 0.229 2246 D C -0.722 175.506 176.300 -0.119 0.000 1.119 2246 D CA -0.773 53.175 54.000 -0.087 0.000 0.850 2246 D CB 1.595 42.348 40.800 -0.078 0.000 1.169 2246 D HN 0.009 nan 8.370 nan 0.000 0.489 2247 P HA -0.141 nan 4.420 nan 0.000 0.220 2247 P C 1.385 178.563 177.300 -0.202 0.000 1.144 2247 P CA 0.934 63.962 63.100 -0.121 0.000 0.800 2247 P CB 0.252 31.893 31.700 -0.098 0.000 0.772 2248 L N -1.045 120.004 121.223 -0.290 0.000 2.607 2248 L HA 0.197 4.537 4.340 0.001 0.000 0.228 2248 L C 1.070 177.467 176.870 -0.788 0.000 1.123 2248 L CA 0.027 54.512 54.840 -0.591 0.000 0.890 2248 L CB -0.293 41.579 42.059 -0.311 0.000 1.103 2248 L HN -0.166 nan 8.230 nan 0.000 0.468 2249 D N -0.400 119.745 120.400 -0.425 0.000 2.558 2249 D HA -0.010 4.630 4.640 0.001 0.000 0.221 2249 D C 0.871 177.074 176.300 -0.161 0.000 1.143 2249 D CA -0.168 53.677 54.000 -0.258 0.000 1.010 2249 D CB 0.349 41.081 40.800 -0.115 0.000 1.068 2249 D HN 0.089 nan 8.370 nan 0.000 0.511 2250 Y N 1.420 121.739 120.300 0.033 0.000 2.274 2250 Y HA -0.101 4.450 4.550 0.000 0.000 0.290 2250 Y C 2.443 178.383 175.900 0.067 0.000 1.145 2250 Y CA 0.918 59.055 58.100 0.062 0.000 1.203 2250 Y CB -0.772 37.764 38.460 0.127 0.000 0.984 2250 Y HN 0.435 nan 8.280 nan 0.000 0.533 2251 A N 0.037 122.965 122.820 0.180 0.000 1.930 2251 A HA -0.139 4.182 4.320 0.001 0.000 0.217 2251 A C 2.320 179.970 177.584 0.109 0.000 1.175 2251 A CA 1.381 53.496 52.037 0.130 0.000 0.627 2251 A CB -1.035 18.013 19.000 0.080 0.000 0.815 2251 A HN 0.525 nan 8.150 nan 0.000 0.443 2252 L N -0.909 120.361 121.223 0.080 0.000 2.017 2252 L HA -0.230 4.110 4.340 0.001 0.000 0.208 2252 L C 2.707 179.630 176.870 0.089 0.000 1.073 2252 L CA 2.316 57.201 54.840 0.074 0.000 0.745 2252 L CB -0.289 41.794 42.059 0.040 0.000 0.894 2252 L HN 0.496 nan 8.230 nan 0.000 0.432 2253 Q N 0.206 120.057 119.800 0.085 0.000 2.084 2253 Q HA -0.195 4.145 4.340 0.001 0.000 0.202 2253 Q C 2.053 178.120 176.000 0.112 0.000 0.978 2253 Q CA 2.249 58.100 55.803 0.081 0.000 0.844 2253 Q CB -0.392 28.402 28.738 0.093 0.000 0.898 2253 Q HN 0.595 nan 8.270 nan 0.000 0.426 2254 A N 0.197 123.097 122.820 0.133 0.000 1.933 2254 A HA -0.025 4.295 4.320 0.001 0.000 0.218 2254 A C 2.260 179.921 177.584 0.127 0.000 1.175 2254 A CA 1.791 53.905 52.037 0.128 0.000 0.628 2254 A CB -1.087 17.994 19.000 0.136 0.000 0.814 2254 A HN 0.526 nan 8.150 nan 0.000 0.444 2255 A N -0.983 121.922 122.820 0.142 0.000 2.067 2255 A HA 0.104 4.424 4.320 0.001 0.000 0.219 2255 A C 1.820 179.558 177.584 0.256 0.000 1.158 2255 A CA 1.297 53.441 52.037 0.177 0.000 0.661 2255 A CB -0.390 18.723 19.000 0.189 0.000 0.801 2255 A HN 0.374 nan 8.150 nan 0.000 0.452 2256 L N -0.622 120.745 121.223 0.239 0.000 2.275 2256 L HA -0.037 4.303 4.340 0.001 0.000 0.215 2256 L C 2.820 179.879 176.870 0.315 0.000 1.119 2256 L CA 1.337 56.368 54.840 0.319 0.000 0.790 2256 L CB -0.953 41.228 42.059 0.203 0.000 0.919 2256 L HN 0.397 nan 8.230 nan 0.000 0.443 2257 A N -0.422 122.515 122.820 0.195 0.000 1.908 2257 A HA -0.291 4.030 4.320 0.001 0.000 0.218 2257 A C 2.342 179.964 177.584 0.064 0.000 1.181 2257 A CA 1.885 54.005 52.037 0.138 0.000 0.627 2257 A CB -0.584 18.464 19.000 0.080 0.000 0.818 2257 A HN 0.543 nan 8.150 nan 0.000 0.445 2258 E N -1.454 118.711 120.200 -0.059 0.000 2.204 2258 E HA -0.182 4.168 4.350 0.001 0.000 0.195 2258 E C 1.062 177.401 176.600 -0.435 0.000 0.990 2258 E CA 1.352 57.547 56.400 -0.342 0.000 0.821 2258 E CB -0.175 29.140 29.700 -0.641 0.000 0.750 2258 E HN 0.670 nan 8.360 nan 0.000 0.477 2259 F N -1.471 118.570 119.950 0.151 0.000 2.704 2259 F HA 0.228 4.756 4.527 0.000 0.000 0.304 2259 F C -0.070 175.890 175.800 0.266 0.000 1.094 2259 F CA -0.260 57.847 58.000 0.178 0.000 1.275 2259 F CB 0.602 39.715 39.000 0.188 0.000 1.073 2259 F HN -0.071 nan 8.300 nan 0.000 0.586 2260 Y N 2.834 123.291 120.300 0.261 0.000 2.445 2260 Y HA 0.355 4.906 4.550 0.001 0.000 0.332 2260 Y C -2.058 173.935 175.900 0.154 0.000 1.037 2260 Y CA -2.685 55.556 58.100 0.235 0.000 1.296 2260 Y CB 1.316 39.986 38.460 0.349 0.000 1.099 2260 Y HN -0.206 nan 8.280 nan 0.000 0.496 2261 P HA 0.069 nan 4.420 nan 0.000 0.231 2261 P C 0.778 178.005 177.300 -0.122 0.000 1.168 2261 P CA 0.572 63.625 63.100 -0.079 0.000 0.779 2261 P CB 0.523 32.168 31.700 -0.092 0.000 0.844 2262 G N 1.779 110.362 108.800 -0.362 0.000 2.636 2262 G HA2 0.275 4.235 3.960 0.001 0.000 0.246 2262 G HA3 0.275 4.235 3.960 0.001 0.000 0.246 2262 G C -2.590 172.399 174.900 0.148 0.000 1.216 2262 G CA -0.884 44.088 45.100 -0.214 0.000 0.854 2262 G HN 0.064 nan 8.290 nan 0.000 0.572 2263 P HA 0.099 nan 4.420 nan 0.000 0.266 2263 P C -0.169 177.396 177.300 0.441 0.000 1.195 2263 P CA 0.643 63.892 63.100 0.248 0.000 0.768 2263 P CB 0.521 32.355 31.700 0.223 0.000 0.838 2264 M N 1.668 121.434 119.600 0.278 0.000 2.619 2264 M HA 0.752 5.232 4.480 0.001 0.000 0.297 2264 M C -0.681 175.628 176.300 0.015 0.000 1.229 2264 M CA -0.761 54.656 55.300 0.194 0.000 0.860 2264 M CB 2.789 35.459 32.600 0.115 0.000 1.741 2264 M HN 0.291 nan 8.290 nan 0.000 0.462 2265 A N 0.743 123.464 122.820 -0.164 0.000 2.556 2265 A HA 0.955 5.275 4.320 0.001 0.000 0.294 2265 A C -0.869 176.543 177.584 -0.286 0.000 1.091 2265 A CA -0.563 51.272 52.037 -0.338 0.000 0.704 2265 A CB 2.345 20.801 19.000 -0.906 0.000 1.300 2265 A HN 0.772 nan 8.150 nan 0.000 0.406 2266 T N -1.493 112.886 114.554 -0.291 0.000 2.663 2266 T HA 0.574 4.924 4.350 0.001 0.000 0.305 2266 T C 0.403 174.904 174.700 -0.332 0.000 1.660 2266 T CA 0.910 62.863 62.100 -0.246 0.000 0.976 2266 T CB 0.578 69.342 68.868 -0.173 0.000 1.705 2266 T HN 2.628 nan 8.240 nan 0.000 0.494 2267 G N 1.103 109.742 108.800 -0.268 0.000 2.255 2267 G HA2 -0.174 3.786 3.960 0.001 0.000 0.196 2267 G HA3 -0.174 3.786 3.960 0.001 0.000 0.196 2267 G C 0.752 175.524 174.900 -0.214 0.000 0.998 2267 G CA 1.204 46.113 45.100 -0.318 0.000 0.656 2267 G HN 1.073 nan 8.290 nan 0.000 0.490 2268 E N 0.397 120.469 120.200 -0.214 0.000 2.265 2268 E HA -0.062 4.289 4.350 0.001 0.000 0.196 2268 E C 1.168 177.530 176.600 -0.396 0.000 0.996 2268 E CA 1.126 57.384 56.400 -0.236 0.000 0.832 2268 E CB -0.196 29.345 29.700 -0.265 0.000 0.756 2268 E HN 0.399 nan 8.360 nan 0.000 0.491 2269 N N 0.654 119.116 118.700 -0.398 0.000 2.273 2269 N HA 0.212 4.953 4.740 0.001 0.000 0.231 2269 N C -0.731 174.264 175.510 -0.857 0.000 1.134 2269 N CA 0.107 52.818 53.050 -0.565 0.000 0.856 2269 N CB 0.754 39.149 38.487 -0.152 0.000 1.068 2269 N HN 0.197 nan 8.380 nan 0.000 0.510 2270 L N 0.463 121.221 121.223 -0.774 0.000 2.313 2270 L HA 0.427 4.768 4.340 0.001 0.000 0.283 2270 L C -0.206 176.297 176.870 -0.610 0.000 1.013 2270 L CA -0.563 54.017 54.840 -0.433 0.000 0.816 2270 L CB 0.885 42.950 42.059 0.009 0.000 1.236 2270 L HN -0.060 nan 8.230 nan 0.000 0.419 2271 F N 0.692 120.704 119.950 0.103 0.000 2.708 2271 F HA 0.209 4.736 4.527 0.001 0.000 0.300 2271 F C 0.806 176.668 175.800 0.103 0.000 1.118 2271 F CA -0.402 57.655 58.000 0.094 0.000 1.307 2271 F CB 0.561 39.602 39.000 0.067 0.000 0.986 2271 F HN 0.428 nan 8.300 nan 0.000 0.522 2272 S N -2.386 113.339 115.700 0.042 0.000 2.570 2272 S HA 0.261 4.731 4.470 0.001 0.000 0.270 2272 S C 0.301 174.742 174.600 -0.265 0.000 1.149 2272 S CA -0.605 57.510 58.200 -0.141 0.000 0.837 2272 S CB 0.858 63.664 63.200 -0.656 0.000 1.124 2272 S HN 0.356 nan 8.310 nan 0.000 0.465 2273 H N 0.375 119.279 119.070 -0.277 0.000 2.491 2273 H HA 0.138 4.694 4.556 0.001 0.000 0.290 2273 H C 1.519 176.686 175.328 -0.268 0.000 1.050 2273 H CA 1.601 57.453 56.048 -0.327 0.000 1.309 2273 H CB -0.267 29.331 29.762 -0.272 0.000 1.392 2273 H HN 0.560 nan 8.280 nan 0.000 0.554 2274 Q N 0.676 120.042 119.800 -0.725 0.000 2.083 2274 Q HA -0.087 4.253 4.340 0.001 0.000 0.198 2274 Q C 1.692 177.568 176.000 -0.206 0.000 0.969 2274 Q CA 1.517 57.058 55.803 -0.437 0.000 0.838 2274 Q CB 0.136 28.683 28.738 -0.319 0.000 0.900 2274 Q HN 0.576 nan 8.270 nan 0.000 0.436 2275 D N -0.022 120.286 120.400 -0.155 0.000 2.144 2275 D HA -0.088 4.552 4.640 0.001 0.000 0.200 2275 D C 1.710 177.943 176.300 -0.112 0.000 0.978 2275 D CA 1.244 55.235 54.000 -0.015 0.000 0.833 2275 D CB -0.024 40.808 40.800 0.054 0.000 0.961 2275 D HN 0.269 nan 8.370 nan 0.000 0.470 2276 A N 1.320 123.951 122.820 -0.314 0.000 1.902 2276 A HA -0.201 4.119 4.320 0.001 0.000 0.217 2276 A C 2.194 179.541 177.584 -0.394 0.000 1.181 2276 A CA 1.512 53.262 52.037 -0.479 0.000 0.623 2276 A CB -0.534 17.849 19.000 -1.028 0.000 0.818 2276 A HN 0.115 nan 8.150 nan 0.000 0.443 2277 R N -0.309 119.970 120.500 -0.368 0.000 2.096 2277 R HA -0.161 4.180 4.340 0.001 0.000 0.235 2277 R C 1.683 177.695 176.300 -0.480 0.000 1.127 2277 R CA 1.756 57.611 56.100 -0.409 0.000 0.968 2277 R CB -0.287 29.869 30.300 -0.240 0.000 0.861 2277 R HN 0.511 nan 8.270 nan 0.000 0.440 2278 N N 0.810 119.289 118.700 -0.369 0.000 2.188 2278 N HA -0.162 4.578 4.740 0.001 0.000 0.184 2278 N C 1.648 176.613 175.510 -0.909 0.000 1.018 2278 N CA 0.852 53.632 53.050 -0.450 0.000 0.858 2278 N CB -0.295 38.126 38.487 -0.111 0.000 0.989 2278 N HN 0.183 nan 8.380 nan 0.000 0.426 2279 L N 1.271 121.999 121.223 -0.826 0.000 2.046 2279 L HA -0.040 4.300 4.340 0.001 0.000 0.208 2279 L C 1.905 178.478 176.870 -0.495 0.000 1.077 2279 L CA 1.418 55.848 54.840 -0.685 0.000 0.747 2279 L CB -0.608 41.354 42.059 -0.161 0.000 0.896 2279 L HN 0.110 nan 8.230 nan 0.000 0.432 2280 L N -1.012 119.885 121.223 -0.543 0.000 2.217 2280 L HA -0.109 4.231 4.340 0.001 0.000 0.211 2280 L C 2.687 179.298 176.870 -0.432 0.000 1.107 2280 L CA 0.834 55.358 54.840 -0.527 0.000 0.783 2280 L CB -0.565 41.025 42.059 -0.782 0.000 0.919 2280 L HN 0.287 nan 8.230 nan 0.000 0.442 2281 R N -0.759 119.355 120.500 -0.645 0.000 2.093 2281 R HA -0.062 4.279 4.340 0.001 0.000 0.224 2281 R C 1.434 177.339 176.300 -0.658 0.000 1.101 2281 R CA 1.156 56.843 56.100 -0.687 0.000 0.979 2281 R CB -0.021 29.599 30.300 -1.134 0.000 0.877 2281 R HN 0.351 nan 8.270 nan 0.000 0.441 2282 Y N -1.538 118.648 120.300 -0.190 0.000 2.453 2282 Y HA 0.328 4.878 4.550 0.001 0.000 0.247 2282 Y C 2.024 177.919 175.900 -0.007 0.000 1.124 2282 Y CA -0.200 57.851 58.100 -0.081 0.000 1.243 2282 Y CB -0.036 38.392 38.460 -0.053 0.000 1.213 2282 Y HN 0.026 nan 8.280 nan 0.000 0.523 2283 G N 0.005 108.825 108.800 0.033 0.000 2.744 2283 G HA2 0.186 4.146 3.960 0.001 0.000 0.211 2283 G HA3 0.186 4.146 3.960 0.001 0.000 0.211 2283 G C 1.599 176.571 174.900 0.120 0.000 1.143 2283 G CA 0.377 45.550 45.100 0.121 0.000 0.788 2283 G HN 0.533 nan 8.290 nan 0.000 0.534 2284 G N 0.095 108.959 108.800 0.107 0.000 2.321 2284 G HA2 -0.328 3.632 3.960 0.001 0.000 0.287 2284 G HA3 -0.328 3.632 3.960 0.001 0.000 0.287 2284 G C 0.449 175.424 174.900 0.125 0.000 1.018 2284 G CA 0.652 45.819 45.100 0.111 0.000 0.855 2284 G HN 0.459 nan 8.290 nan 0.000 0.507 2285 M N -1.230 118.477 119.600 0.178 0.000 2.227 2285 M HA 0.483 4.964 4.480 0.001 0.000 0.316 2285 M C 0.782 177.198 176.300 0.192 0.000 1.144 2285 M CA -0.270 55.167 55.300 0.228 0.000 1.121 2285 M CB 0.742 33.538 32.600 0.326 0.000 1.440 2285 M HN 0.055 nan 8.290 nan 0.000 0.473 2286 R N 1.657 122.186 120.500 0.049 0.000 2.204 2286 R HA 0.265 4.606 4.340 0.001 0.000 0.341 2286 R C -2.065 173.918 176.300 -0.529 0.000 1.035 2286 R CA -1.652 54.344 56.100 -0.174 0.000 0.887 2286 R CB -0.077 30.145 30.300 -0.130 0.000 1.114 2286 R HN 0.287 nan 8.270 nan 0.000 0.473 2287 P HA -0.196 nan 4.420 nan 0.000 0.218 2287 P C 0.350 177.122 177.300 -0.881 0.000 1.146 2287 P CA 1.197 63.297 63.100 -1.666 0.000 0.813 2287 P CB 0.284 31.086 31.700 -1.497 0.000 0.778 2288 D N -0.906 119.160 120.400 -0.556 0.000 2.347 2288 D HA -0.108 4.532 4.640 0.001 0.000 0.213 2288 D C 1.464 177.533 176.300 -0.384 0.000 0.985 2288 D CA 0.773 54.539 54.000 -0.390 0.000 0.879 2288 D CB -0.322 40.315 40.800 -0.272 0.000 0.919 2288 D HN 0.253 nan 8.370 nan 0.000 0.526 2289 R N -0.728 119.517 120.500 -0.425 0.000 2.504 2289 R HA 0.165 4.506 4.340 0.001 0.000 0.341 2289 R C -0.792 175.158 176.300 -0.583 0.000 0.905 2289 R CA -0.383 55.445 56.100 -0.453 0.000 1.133 2289 R CB -0.118 30.026 30.300 -0.259 0.000 1.704 2289 R HN -0.130 nan 8.270 nan 0.000 0.503 2290 D N 1.066 121.192 120.400 -0.458 0.000 2.387 2290 D HA 0.317 4.958 4.640 0.001 0.000 0.251 2290 D C -0.756 175.259 176.300 -0.475 0.000 1.141 2290 D CA 0.287 54.097 54.000 -0.317 0.000 0.987 2290 D CB 0.673 41.489 40.800 0.027 0.000 1.116 2290 D HN 0.034 nan 8.370 nan 0.000 0.491 2291 W N 0.162 121.403 121.300 -0.098 0.000 2.702 2291 W HA 0.508 5.168 4.660 0.001 0.000 0.331 2291 W C -0.590 175.742 176.519 -0.312 0.000 1.049 2291 W CA -0.751 56.473 57.345 -0.202 0.000 1.230 2291 W CB 0.979 30.162 29.460 -0.462 0.000 1.408 2291 W HN -0.082 nan 8.180 nan 0.000 0.492 2292 L N 2.813 123.991 121.223 -0.074 0.000 2.287 2292 L HA 0.359 4.700 4.340 0.001 0.000 0.287 2292 L C 0.505 177.108 176.870 -0.446 0.000 1.022 2292 L CA -0.610 53.940 54.840 -0.483 0.000 0.814 2292 L CB 1.379 43.085 42.059 -0.588 0.000 1.217 2292 L HN 0.560 nan 8.230 nan 0.000 0.420 2293 Q N 2.584 122.051 119.800 -0.555 0.000 2.189 2293 Q HA 0.239 4.580 4.340 0.001 0.000 0.221 2293 Q C -0.707 175.214 176.000 -0.132 0.000 0.848 2293 Q CA -0.454 55.198 55.803 -0.251 0.000 1.007 2293 Q CB 0.256 28.900 28.738 -0.157 0.000 1.116 2293 Q HN 0.429 nan 8.270 nan 0.000 0.481 2294 F N 1.819 121.800 119.950 0.052 0.000 2.623 2294 F HA -0.103 4.424 4.527 0.001 0.000 0.386 2294 F C 0.986 176.901 175.800 0.192 0.000 1.068 2294 F CA -0.173 57.870 58.000 0.072 0.000 1.265 2294 F CB 0.120 39.175 39.000 0.090 0.000 1.026 2294 F HN 0.002 nan 8.300 nan 0.000 0.568 2295 D N 3.139 123.738 120.400 0.331 0.000 2.359 2295 D HA 0.075 4.715 4.640 0.001 0.000 0.230 2295 D C 0.882 177.351 176.300 0.282 0.000 1.118 2295 D CA -0.315 53.865 54.000 0.301 0.000 0.844 2295 D CB 1.194 42.200 40.800 0.344 0.000 1.059 2295 D HN 0.721 nan 8.370 nan 0.000 0.493 2296 C N 4.183 123.563 119.300 0.133 0.000 2.393 2296 C HA -0.153 4.307 4.460 0.001 0.000 0.276 2296 C C 2.625 177.686 174.990 0.118 0.000 1.215 2296 C CA 1.654 60.696 59.018 0.040 0.000 1.743 2296 C CB -1.130 26.391 27.740 -0.366 0.000 2.044 2296 C HN 0.778 nan 8.230 nan 0.000 0.464 2297 A N -0.008 122.881 122.820 0.114 0.000 1.933 2297 A HA -0.033 4.287 4.320 0.001 0.000 0.218 2297 A C 2.125 179.762 177.584 0.089 0.000 1.175 2297 A CA 1.846 53.928 52.037 0.074 0.000 0.628 2297 A CB -0.621 18.399 19.000 0.033 0.000 0.814 2297 A HN 0.721 nan 8.150 nan 0.000 0.444 2298 L N -0.598 120.725 121.223 0.167 0.000 2.509 2298 L HA 0.063 4.403 4.340 0.001 0.000 0.222 2298 L C 0.615 177.587 176.870 0.171 0.000 1.123 2298 L CA 0.349 55.273 54.840 0.141 0.000 0.856 2298 L CB 0.131 42.351 42.059 0.269 0.000 0.985 2298 L HN 0.165 nan 8.230 nan 0.000 0.456 2299 S N -0.702 115.158 115.700 0.266 0.000 2.460 2299 S HA 0.244 4.715 4.470 0.001 0.000 0.211 2299 S C -0.356 174.477 174.600 0.388 0.000 1.312 2299 S CA -0.496 57.894 58.200 0.317 0.000 1.256 2299 S CB -0.191 63.233 63.200 0.375 0.000 1.086 2299 S HN 0.350 nan 8.310 nan 0.000 0.507 2300 Y N 0.012 120.450 120.300 0.230 0.000 4.907 2300 Y HA -0.279 4.272 4.550 0.001 0.000 0.246 2300 Y C 1.164 177.313 175.900 0.416 0.000 0.968 2300 Y CA 0.968 59.269 58.100 0.334 0.000 1.961 2300 Y CB -1.969 36.804 38.460 0.522 0.000 1.487 2300 Y HN 0.808 nan 8.280 nan 0.000 0.575 2301 G N -0.410 108.611 108.800 0.368 0.000 2.725 2301 G HA2 -0.136 3.825 3.960 0.001 0.000 0.220 2301 G HA3 -0.136 3.825 3.960 0.001 0.000 0.220 2301 G C 0.280 175.310 174.900 0.218 0.000 1.357 2301 G CA -0.245 45.023 45.100 0.280 0.000 0.866 2301 G HN 0.727 nan 8.290 nan 0.000 0.548 2302 L N 0.135 121.412 121.223 0.090 0.000 2.083 2302 L HA 0.016 4.356 4.340 0.001 0.000 0.209 2302 L C 3.098 179.985 176.870 0.029 0.000 1.083 2302 L CA 3.086 57.872 54.840 -0.091 0.000 0.752 2302 L CB -0.989 40.667 42.059 -0.671 0.000 0.899 2302 L HN 0.786 nan 8.230 nan 0.000 0.433 2303 C N -0.367 119.044 119.300 0.183 0.000 2.413 2303 C HA -0.151 4.309 4.460 0.001 0.000 0.277 2303 C C 2.720 177.528 174.990 -0.304 0.000 1.265 2303 C CA 1.135 60.130 59.018 -0.038 0.000 1.752 2303 C CB -0.860 26.678 27.740 -0.335 0.000 1.998 2303 C HN 0.671 nan 8.230 nan 0.000 0.489 2304 E N -0.480 119.577 120.200 -0.238 0.000 2.112 2304 E HA -0.145 4.206 4.350 0.001 0.000 0.190 2304 E C 1.863 178.435 176.600 -0.046 0.000 0.979 2304 E CA 0.962 57.254 56.400 -0.180 0.000 0.814 2304 E CB -0.534 29.237 29.700 0.119 0.000 0.762 2304 E HN 0.674 nan 8.360 nan 0.000 0.460 2305 Y N 1.370 121.631 120.300 -0.065 0.000 2.207 2305 Y HA -0.225 4.325 4.550 0.001 0.000 0.287 2305 Y C 2.009 177.859 175.900 -0.083 0.000 1.156 2305 Y CA 2.194 60.261 58.100 -0.055 0.000 1.182 2305 Y CB -0.030 38.410 38.460 -0.033 0.000 0.979 2305 Y HN 0.154 nan 8.280 nan 0.000 0.521 2306 Q N -0.623 119.182 119.800 0.007 0.000 2.170 2306 Q HA -0.198 4.143 4.340 0.001 0.000 0.203 2306 Q C 2.291 178.209 176.000 -0.136 0.000 0.976 2306 Q CA 1.408 57.195 55.803 -0.027 0.000 0.858 2306 Q CB -0.181 28.582 28.738 0.041 0.000 0.907 2306 Q HN 0.483 nan 8.270 nan 0.000 0.433 2307 R N -0.274 120.092 120.500 -0.224 0.000 2.090 2307 R HA -0.051 4.289 4.340 0.001 0.000 0.228 2307 R C 2.250 178.368 176.300 -0.303 0.000 1.110 2307 R CA 1.433 57.334 56.100 -0.331 0.000 0.973 2307 R CB -0.118 29.845 30.300 -0.562 0.000 0.869 2307 R HN 0.177 nan 8.270 nan 0.000 0.440 2308 T N 1.508 115.881 114.554 -0.301 0.000 2.788 2308 T HA -0.055 4.295 4.350 0.001 0.000 0.268 2308 T C 1.779 176.280 174.700 -0.331 0.000 1.044 2308 T CA 0.890 62.776 62.100 -0.357 0.000 1.139 2308 T CB -0.038 68.508 68.868 -0.538 0.000 0.867 2308 T HN 0.140 nan 8.240 nan 0.000 0.454 2309 L N 0.701 121.732 121.223 -0.320 0.000 2.141 2309 L HA -0.038 4.303 4.340 0.001 0.000 0.209 2309 L C 2.771 179.583 176.870 -0.098 0.000 1.094 2309 L CA 0.949 55.672 54.840 -0.194 0.000 0.763 2309 L CB -0.416 41.561 42.059 -0.138 0.000 0.908 2309 L HN 0.153 nan 8.230 nan 0.000 0.437 2310 E N -0.122 120.014 120.200 -0.107 0.000 2.150 2310 E HA -0.130 4.220 4.350 0.001 0.000 0.193 2310 E C 2.349 178.919 176.600 -0.049 0.000 0.985 2310 E CA 0.830 57.190 56.400 -0.067 0.000 0.814 2310 E CB -0.137 29.507 29.700 -0.093 0.000 0.752 2310 E HN 0.280 nan 8.360 nan 0.000 0.466 2311 V N 1.661 121.524 119.914 -0.085 0.000 2.358 2311 V HA -0.230 3.890 4.120 0.001 0.000 0.246 2311 V C 2.482 178.578 176.094 0.003 0.000 1.047 2311 V CA 1.190 63.464 62.300 -0.043 0.000 1.035 2311 V CB -0.479 31.267 31.823 -0.129 0.000 0.658 2311 V HN 0.238 nan 8.190 nan 0.000 0.452 2312 L N -0.055 121.135 121.223 -0.054 0.000 2.012 2312 L HA -0.258 4.082 4.340 0.001 0.000 0.210 2312 L C 2.560 179.519 176.870 0.148 0.000 1.073 2312 L CA 2.302 57.152 54.840 0.016 0.000 0.748 2312 L CB -0.929 41.151 42.059 0.034 0.000 0.891 2312 L HN 0.358 nan 8.230 nan 0.000 0.431 2313 K N 0.065 120.518 120.400 0.089 0.000 2.063 2313 K HA -0.179 4.141 4.320 0.001 0.000 0.208 2313 K C 1.913 178.555 176.600 0.071 0.000 1.048 2313 K CA 1.943 58.278 56.287 0.080 0.000 0.928 2313 K CB -0.043 32.481 32.500 0.041 0.000 0.713 2313 K HN 0.195 nan 8.250 nan 0.000 0.442 2314 T N -0.014 114.581 114.554 0.067 0.000 2.962 2314 T HA -0.083 4.267 4.350 0.001 0.000 0.270 2314 T C 0.882 175.528 174.700 -0.090 0.000 1.088 2314 T CA 0.871 62.974 62.100 0.006 0.000 1.127 2314 T CB -0.154 68.731 68.868 0.028 0.000 0.883 2314 T HN 0.361 nan 8.240 nan 0.000 0.493 2315 H N -0.598 118.502 119.070 0.050 0.000 2.592 2315 H HA 0.343 4.899 4.556 0.001 0.000 0.279 2315 H C 1.662 177.120 175.328 0.218 0.000 1.089 2315 H CA 0.272 56.388 56.048 0.112 0.000 1.150 2315 H CB 0.500 30.316 29.762 0.091 0.000 1.575 2315 H HN 0.458 nan 8.280 nan 0.000 0.547 2316 G N 1.018 109.939 108.800 0.200 0.000 2.160 2316 G HA2 -0.258 3.703 3.960 0.001 0.000 0.251 2316 G HA3 -0.258 3.703 3.960 0.001 0.000 0.251 2316 G C -0.486 174.482 174.900 0.114 0.000 1.008 2316 G CA 0.045 45.212 45.100 0.111 0.000 0.724 2316 G HN 0.264 nan 8.290 nan 0.000 0.514 2317 W N 0.198 121.500 121.300 0.003 0.000 2.512 2317 W HA 0.718 5.379 4.660 0.000 0.000 0.335 2317 W C 0.659 177.169 176.519 -0.014 0.000 1.088 2317 W CA -0.286 57.049 57.345 -0.016 0.000 1.236 2317 W CB 1.653 31.106 29.460 -0.011 0.000 1.307 2317 W HN 0.248 nan 8.180 nan 0.000 0.567 2318 S N 2.252 118.071 115.700 0.198 0.000 2.578 2318 S HA 0.348 4.818 4.470 0.001 0.000 0.283 2318 S C -1.655 173.047 174.600 0.169 0.000 1.195 2318 S CA -1.471 56.806 58.200 0.129 0.000 1.050 2318 S CB 1.178 64.409 63.200 0.053 0.000 1.012 2318 S HN 0.207 nan 8.310 nan 0.000 0.511 2319 P HA -0.056 nan 4.420 nan 0.000 0.225 2319 P C 1.277 178.683 177.300 0.177 0.000 1.148 2319 P CA 0.860 64.043 63.100 0.138 0.000 0.779 2319 P CB -0.036 31.724 31.700 0.099 0.000 0.780 2320 S N -1.262 114.534 115.700 0.159 0.000 2.547 2320 S HA -0.053 4.418 4.470 0.001 0.000 0.235 2320 S C 1.713 176.470 174.600 0.261 0.000 0.980 2320 S CA 0.535 58.852 58.200 0.194 0.000 0.941 2320 S CB -0.651 62.632 63.200 0.138 0.000 0.763 2320 S HN 0.039 nan 8.310 nan 0.000 0.532 2321 R N 0.148 120.781 120.500 0.221 0.000 2.297 2321 R HA 0.269 4.609 4.340 0.001 0.000 0.197 2321 R C -0.058 176.477 176.300 0.391 0.000 0.943 2321 R CA -0.025 56.202 56.100 0.211 0.000 1.038 2321 R CB -0.873 29.574 30.300 0.245 0.000 0.957 2321 R HN 0.415 nan 8.270 nan 0.000 0.484 2322 C N 1.609 121.114 119.300 0.341 0.000 2.369 2322 C HA 0.500 4.961 4.460 0.001 0.000 0.358 2322 C C 0.725 175.909 174.990 0.323 0.000 1.274 2322 C CA -0.573 58.622 59.018 0.296 0.000 1.935 2322 C CB -0.059 27.861 27.740 0.300 0.000 2.431 2322 C HN 0.258 nan 8.230 nan 0.000 0.545 2323 I N 4.961 125.676 120.570 0.241 0.000 2.641 2323 I HA 0.230 4.400 4.170 0.001 0.000 0.275 2323 I C -2.406 173.797 176.117 0.143 0.000 1.129 2323 I CA -1.550 59.868 61.300 0.197 0.000 1.094 2323 I CB 1.135 39.237 38.000 0.171 0.000 1.232 2323 I HN 0.343 nan 8.210 nan 0.000 0.503 2324 P HA -0.087 nan 4.420 nan 0.000 0.264 2324 P C -0.271 177.090 177.300 0.102 0.000 1.183 2324 P CA 0.397 63.571 63.100 0.123 0.000 0.763 2324 P CB 0.256 31.970 31.700 0.023 0.000 0.807 2325 H N 2.900 121.999 119.070 0.049 0.000 2.690 2325 H HA 0.370 4.927 4.556 0.001 0.000 0.365 2325 H C 0.384 175.718 175.328 0.011 0.000 1.142 2325 H CA 1.025 57.108 56.048 0.059 0.000 1.417 2325 H CB 0.181 29.995 29.762 0.086 0.000 1.446 2325 H HN 0.721 nan 8.280 nan 0.000 0.599 2326 G N 2.138 110.641 108.800 -0.496 0.000 3.199 2326 G HA2 -0.038 3.923 3.960 0.001 0.000 0.680 2326 G HA3 -0.038 3.923 3.960 0.001 0.000 0.680 2326 G C 0.014 174.581 174.900 -0.556 0.000 1.197 2326 G CA -0.288 44.567 45.100 -0.408 0.000 1.143 2326 G HN 0.894 nan 8.290 nan 0.000 0.492 2327 G N 1.959 110.606 108.800 -0.254 0.000 2.807 2327 G HA2 0.744 4.704 3.960 0.001 0.000 0.316 2327 G HA3 0.744 4.704 3.960 0.001 0.000 0.316 2327 G C 0.052 174.909 174.900 -0.071 0.000 0.900 2327 G CA 0.430 45.420 45.100 -0.183 0.000 1.499 2327 G HN 1.771 nan 8.290 nan 0.000 0.484 2328 H N -2.439 116.683 119.070 0.086 0.000 2.918 2328 H HA 0.346 4.903 4.556 0.001 0.000 0.303 2328 H C 0.794 176.217 175.328 0.158 0.000 1.380 2328 H CA -0.949 55.214 56.048 0.191 0.000 1.134 2328 H CB 0.641 30.653 29.762 0.416 0.000 1.842 2328 H HN 0.064 nan 8.280 nan 0.000 0.533 2329 Q N -0.674 119.406 119.800 0.466 0.000 2.291 2329 Q HA -0.096 4.244 4.340 0.001 0.000 0.205 2329 Q C 1.536 177.640 176.000 0.173 0.000 0.970 2329 Q CA 1.688 57.648 55.803 0.261 0.000 0.876 2329 Q CB -0.058 28.794 28.738 0.190 0.000 0.935 2329 Q HN 0.555 nan 8.270 nan 0.000 0.455 2330 M N -0.082 119.688 119.600 0.283 0.000 2.132 2330 M HA -0.090 4.390 4.480 0.001 0.000 0.263 2330 M C 1.892 178.253 176.300 0.102 0.000 1.065 2330 M CA 1.652 57.020 55.300 0.114 0.000 1.122 2330 M CB -0.139 32.467 32.600 0.011 0.000 1.365 2330 M HN -0.086 nan 8.290 nan 0.000 0.411 2331 S N 0.432 116.241 115.700 0.181 0.000 2.382 2331 S HA -0.067 4.404 4.470 0.001 0.000 0.228 2331 S C 1.856 176.434 174.600 -0.036 0.000 1.027 2331 S CA 1.441 59.617 58.200 -0.040 0.000 0.991 2331 S CB -0.560 62.507 63.200 -0.222 0.000 0.823 2331 S HN 0.547 nan 8.310 nan 0.000 0.469 2332 L N 1.647 122.877 121.223 0.012 0.000 2.046 2332 L HA -0.126 4.214 4.340 0.001 0.000 0.208 2332 L C 2.343 179.186 176.870 -0.045 0.000 1.077 2332 L CA 0.990 55.828 54.840 -0.004 0.000 0.747 2332 L CB -0.581 41.510 42.059 0.052 0.000 0.896 2332 L HN 0.343 nan 8.230 nan 0.000 0.432 2333 N N 0.538 119.234 118.700 -0.007 0.000 2.142 2333 N HA -0.148 4.592 4.740 0.001 0.000 0.186 2333 N C 1.944 177.462 175.510 0.013 0.000 1.023 2333 N CA 1.812 54.888 53.050 0.042 0.000 0.852 2333 N CB -0.038 38.494 38.487 0.076 0.000 0.998 2333 N HN 0.489 nan 8.380 nan 0.000 0.424 2334 I N -1.204 119.329 120.570 -0.063 0.000 2.439 2334 I HA -0.006 4.165 4.170 0.001 0.000 0.251 2334 I C 2.315 178.402 176.117 -0.051 0.000 1.139 2334 I CA 0.848 62.083 61.300 -0.109 0.000 1.438 2334 I CB -0.320 37.532 38.000 -0.247 0.000 1.085 2334 I HN -0.137 nan 8.210 nan 0.000 0.427 2335 A N 1.808 124.607 122.820 -0.035 0.000 1.855 2335 A HA 0.034 4.354 4.320 0.001 0.000 0.215 2335 A C 2.589 180.178 177.584 0.009 0.000 1.191 2335 A CA 1.914 53.957 52.037 0.011 0.000 0.613 2335 A CB -1.103 17.905 19.000 0.013 0.000 0.829 2335 A HN 0.563 nan 8.150 nan 0.000 0.442 2336 A N -0.829 121.965 122.820 -0.044 0.000 1.969 2336 A HA 0.175 4.496 4.320 0.001 0.000 0.218 2336 A C 2.264 179.884 177.584 0.061 0.000 1.169 2336 A CA 1.809 53.805 52.037 -0.068 0.000 0.635 2336 A CB -1.046 17.737 19.000 -0.363 0.000 0.810 2336 A HN 0.737 nan 8.150 nan 0.000 0.445 2337 G N -1.174 107.683 108.800 0.094 0.000 2.603 2337 G HA2 0.214 4.175 3.960 0.001 0.000 0.214 2337 G HA3 0.214 4.175 3.960 0.001 0.000 0.214 2337 G C 1.129 176.012 174.900 -0.028 0.000 1.140 2337 G CA 0.563 45.722 45.100 0.099 0.000 0.800 2337 G HN 0.414 nan 8.290 nan 0.000 0.533 2338 L N -0.085 121.109 121.223 -0.049 0.000 2.906 2338 L HA 0.342 4.682 4.340 0.001 0.000 0.255 2338 L C 1.510 178.371 176.870 -0.015 0.000 1.166 2338 L CA 0.158 54.931 54.840 -0.113 0.000 0.977 2338 L CB 0.508 42.510 42.059 -0.095 0.000 1.313 2338 L HN 0.219 nan 8.230 nan 0.000 0.549 2339 G N 1.491 110.309 108.800 0.032 0.000 2.272 2339 G HA2 -0.251 3.709 3.960 0.001 0.000 0.280 2339 G HA3 -0.251 3.709 3.960 0.001 0.000 0.280 2339 G C 0.148 175.113 174.900 0.110 0.000 1.067 2339 G CA 0.056 45.197 45.100 0.068 0.000 0.902 2339 G HN 0.230 nan 8.290 nan 0.000 0.500 2340 L N -1.057 120.242 121.223 0.128 0.000 2.479 2340 L HA 0.552 4.892 4.340 0.001 0.000 0.248 2340 L C 2.021 179.028 176.870 0.229 0.000 1.205 2340 L CA -0.040 54.913 54.840 0.188 0.000 0.817 2340 L CB 0.299 42.472 42.059 0.190 0.000 1.162 2340 L HN 0.169 nan 8.230 nan 0.000 0.486 2341 G N -1.177 107.812 108.800 0.315 0.000 2.712 2341 G HA2 0.415 4.375 3.960 0.001 0.000 0.212 2341 G HA3 0.415 4.375 3.960 0.001 0.000 0.212 2341 G C 0.487 175.621 174.900 0.390 0.000 1.142 2341 G CA 0.687 46.034 45.100 0.412 0.000 0.789 2341 G HN 0.947 nan 8.290 nan 0.000 0.535 2342 G N -1.048 107.935 108.800 0.306 0.000 2.350 2342 G HA2 0.221 4.181 3.960 0.001 0.000 0.276 2342 G HA3 0.221 4.181 3.960 0.001 0.000 0.276 2342 G C -1.671 173.300 174.900 0.117 0.000 1.313 2342 G CA -0.698 44.565 45.100 0.272 0.000 0.903 2342 G HN 0.276 nan 8.290 nan 0.000 0.490 2343 N N -0.494 118.192 118.700 -0.023 0.000 2.774 2343 N HA 0.540 5.280 4.740 0.001 0.000 0.264 2343 N C -1.234 174.104 175.510 -0.287 0.000 1.415 2343 N CA -0.511 52.477 53.050 -0.103 0.000 0.815 2343 N CB 2.700 41.123 38.487 -0.108 0.000 1.514 2343 N HN 0.786 nan 8.380 nan 0.000 0.523 2344 E N -0.585 119.350 120.200 -0.442 0.000 2.320 2344 E HA 0.656 5.007 4.350 0.001 0.000 0.264 2344 E C -1.389 174.775 176.600 -0.728 0.000 0.923 2344 E CA -0.735 55.066 56.400 -0.998 0.000 0.796 2344 E CB 2.348 31.410 29.700 -1.064 0.000 1.262 2344 E HN 0.234 nan 8.360 nan 0.000 0.428 2345 S N 0.366 115.531 115.700 -0.891 0.000 2.541 2345 S HA 0.453 4.924 4.470 0.001 0.000 0.271 2345 S C -1.985 172.156 174.600 -0.765 0.000 1.133 2345 S CA -0.659 57.193 58.200 -0.581 0.000 0.876 2345 S CB 0.811 63.880 63.200 -0.218 0.000 1.105 2345 S HN 0.521 nan 8.310 nan 0.000 0.470 2346 Y N 2.452 122.617 120.300 -0.224 0.000 2.919 2346 Y HA 0.358 4.908 4.550 0.001 0.000 0.341 2346 Y C -2.364 173.451 175.900 -0.142 0.000 1.045 2346 Y CA -2.065 55.947 58.100 -0.146 0.000 1.218 2346 Y CB 0.582 39.111 38.460 0.115 0.000 1.137 2346 Y HN 0.434 nan 8.280 nan 0.000 0.577 2347 P HA -0.121 nan 4.420 nan 0.000 0.257 2347 P C 0.070 177.413 177.300 0.070 0.000 1.162 2347 P CA 1.248 64.362 63.100 0.023 0.000 0.762 2347 P CB 0.382 32.133 31.700 0.085 0.000 0.753 2348 D N 0.000 120.421 120.400 0.034 0.000 2.978 2348 D HA -0.172 4.468 4.640 0.001 0.000 0.205 2348 D C 0.053 176.306 176.300 -0.079 0.000 1.093 2348 D CA 1.064 55.063 54.000 -0.002 0.000 1.006 2348 D CB -1.186 39.628 40.800 0.023 0.000 1.116 2348 D HN 0.336 nan 8.370 nan 0.000 0.419 2349 L N -0.893 120.246 121.223 -0.139 0.000 2.332 2349 L HA 0.491 4.831 4.340 0.001 0.000 0.269 2349 L C 1.089 177.782 176.870 -0.295 0.000 1.016 2349 L CA -0.983 53.605 54.840 -0.420 0.000 0.809 2349 L CB 0.473 42.027 42.059 -0.842 0.000 1.280 2349 L HN -0.040 nan 8.230 nan 0.000 0.447 2350 F N -0.934 118.997 119.950 -0.031 0.000 3.100 2350 F HA -0.235 4.293 4.527 0.001 0.000 0.283 2350 F C 0.638 176.464 175.800 0.045 0.000 0.900 2350 F CA -0.122 57.872 58.000 -0.010 0.000 1.010 2350 F CB -1.445 37.523 39.000 -0.053 0.000 1.029 2350 F HN 0.537 nan 8.300 nan 0.000 0.637 2351 Q N 1.885 121.738 119.800 0.088 0.000 2.354 2351 Q HA 0.162 4.502 4.340 0.001 0.000 0.244 2351 Q C -1.161 174.783 176.000 -0.094 0.000 0.969 2351 Q CA -1.379 54.417 55.803 -0.012 0.000 0.885 2351 Q CB 0.513 29.218 28.738 -0.054 0.000 1.241 2351 Q HN 0.047 nan 8.270 nan 0.000 0.461 2352 P HA 0.045 nan 4.420 nan 0.000 0.261 2352 P C 0.150 177.209 177.300 -0.402 0.000 1.352 2352 P CA 0.374 63.267 63.100 -0.345 0.000 0.891 2352 P CB 0.158 31.640 31.700 -0.363 0.000 1.383 2353 Y N 0.889 121.041 120.300 -0.247 0.000 2.200 2353 Y HA 0.074 4.624 4.550 0.001 0.000 0.290 2353 Y C 2.075 177.939 175.900 -0.061 0.000 1.137 2353 Y CA 0.933 58.781 58.100 -0.419 0.000 1.163 2353 Y CB -1.238 36.717 38.460 -0.842 0.000 0.988 2353 Y HN -0.028 nan 8.280 nan 0.000 0.518 2354 G N -0.329 108.577 108.800 0.176 0.000 2.503 2354 G HA2 0.463 4.423 3.960 0.001 0.000 0.257 2354 G HA3 0.463 4.423 3.960 0.001 0.000 0.257 2354 G C 0.278 175.170 174.900 -0.014 0.000 1.214 2354 G CA 0.391 45.590 45.100 0.164 0.000 0.839 2354 G HN 0.631 nan 8.290 nan 0.000 0.559 2355 G N -0.352 108.328 108.800 -0.200 0.000 2.306 2355 G HA2 0.314 4.275 3.960 0.001 0.000 0.262 2355 G HA3 0.314 4.275 3.960 0.001 0.000 0.262 2355 G C -0.865 173.657 174.900 -0.629 0.000 1.263 2355 G CA -0.595 44.154 45.100 -0.584 0.000 1.088 2355 G HN 0.864 nan 8.290 nan 0.000 0.489 2356 F N 0.184 120.182 119.950 0.080 0.000 2.639 2356 F HA 0.752 5.279 4.527 0.001 0.000 0.339 2356 F C -2.059 173.781 175.800 0.067 0.000 1.071 2356 F CA -2.215 55.820 58.000 0.059 0.000 0.994 2356 F CB 0.862 39.870 39.000 0.013 0.000 1.341 2356 F HN 0.316 nan 8.300 nan 0.000 0.498 2357 P HA 0.060 nan 4.420 nan 0.000 0.270 2357 P C -0.964 176.423 177.300 0.144 0.000 1.223 2357 P CA -0.121 63.078 63.100 0.165 0.000 0.785 2357 P CB 0.397 32.171 31.700 0.124 0.000 0.923 2358 D N 0.861 121.325 120.400 0.106 0.000 2.488 2358 D HA 0.208 4.848 4.640 0.001 0.000 0.238 2358 D C 1.661 178.004 176.300 0.071 0.000 1.138 2358 D CA 1.781 55.832 54.000 0.085 0.000 0.873 2358 D CB -0.037 40.803 40.800 0.067 0.000 1.183 2358 D HN 0.666 nan 8.370 nan 0.000 0.458 2359 G N 0.734 109.572 108.800 0.063 0.000 2.284 2359 G HA2 -0.275 3.686 3.960 0.001 0.000 0.247 2359 G HA3 -0.275 3.686 3.960 0.001 0.000 0.247 2359 G C 0.441 175.356 174.900 0.025 0.000 1.012 2359 G CA 0.346 45.470 45.100 0.040 0.000 0.618 2359 G HN 0.851 nan 8.290 nan 0.000 0.521 2360 V N 0.381 120.317 119.914 0.037 0.000 2.461 2360 V HA 0.819 4.940 4.120 0.001 0.000 0.275 2360 V C 0.388 176.445 176.094 -0.061 0.000 1.047 2360 V CA -0.197 62.087 62.300 -0.026 0.000 0.955 2360 V CB 1.024 32.825 31.823 -0.037 0.000 0.988 2360 V HN 0.898 nan 8.190 nan 0.000 0.471 2361 R N 3.331 123.751 120.500 -0.134 0.000 2.892 2361 R HA 0.847 5.188 4.340 0.001 0.000 0.265 2361 R C -1.323 174.785 176.300 -0.319 0.000 1.025 2361 R CA -0.947 55.054 56.100 -0.165 0.000 0.982 2361 R CB 1.857 32.108 30.300 -0.082 0.000 1.185 2361 R HN 0.458 nan 8.270 nan 0.000 0.484 2362 V N 1.544 121.230 119.914 -0.379 0.000 2.530 2362 V HA 0.199 4.319 4.120 0.001 0.000 0.282 2362 V C -0.118 175.796 176.094 -0.299 0.000 1.048 2362 V CA -0.003 62.009 62.300 -0.479 0.000 0.997 2362 V CB 0.799 32.144 31.823 -0.798 0.000 0.987 2362 V HN 0.749 nan 8.190 nan 0.000 0.477 2363 E N 4.333 124.406 120.200 -0.212 0.000 2.263 2363 E HA 0.383 4.734 4.350 0.001 0.000 0.268 2363 E C -0.503 176.073 176.600 -0.040 0.000 0.884 2363 E CA -0.848 55.483 56.400 -0.114 0.000 0.766 2363 E CB 1.325 30.970 29.700 -0.090 0.000 1.196 2363 E HN 0.666 nan 8.360 nan 0.000 0.416 2364 N N 1.756 120.449 118.700 -0.013 0.000 2.735 2364 N HA -0.226 4.514 4.740 0.001 0.000 0.248 2364 N C 0.674 176.303 175.510 0.198 0.000 1.083 2364 N CA 1.359 54.448 53.050 0.065 0.000 0.703 2364 N CB -1.178 37.336 38.487 0.045 0.000 1.005 2364 N HN 1.086 nan 8.380 nan 0.000 0.550 2365 G N -1.350 107.483 108.800 0.054 0.000 2.166 2365 G HA2 -0.341 3.619 3.960 0.001 0.000 0.260 2365 G HA3 -0.341 3.619 3.960 0.001 0.000 0.260 2365 G C -0.135 174.678 174.900 -0.146 0.000 0.986 2365 G CA 1.196 46.296 45.100 0.000 0.000 0.683 2365 G HN 0.814 nan 8.290 nan 0.000 0.527 2366 H N -1.072 117.931 119.070 -0.112 0.000 2.928 2366 H HA 0.714 5.270 4.556 0.001 0.000 0.371 2366 H C 0.165 175.341 175.328 -0.254 0.000 1.186 2366 H CA -0.307 55.667 56.048 -0.123 0.000 1.134 2366 H CB 1.538 31.281 29.762 -0.032 0.000 1.824 2366 H HN 0.568 nan 8.280 nan 0.000 0.554 2367 I N -1.939 118.534 120.570 -0.163 0.000 2.846 2367 I HA 0.695 4.866 4.170 0.001 0.000 0.307 2367 I C -0.591 175.424 176.117 -0.171 0.000 1.053 2367 I CA -0.514 60.608 61.300 -0.296 0.000 1.050 2367 I CB 2.276 39.919 38.000 -0.595 0.000 1.239 2367 I HN 0.422 nan 8.210 nan 0.000 0.439 2368 T N 5.386 119.842 114.554 -0.164 0.000 2.770 2368 T HA 0.473 4.823 4.350 0.001 0.000 0.283 2368 T C -0.062 174.560 174.700 -0.131 0.000 0.988 2368 T CA -0.450 61.577 62.100 -0.122 0.000 0.957 2368 T CB 0.802 69.622 68.868 -0.081 0.000 0.930 2368 T HN 0.431 nan 8.240 nan 0.000 0.443 2369 M N 5.925 125.413 119.600 -0.188 0.000 2.217 2369 M HA 0.236 4.716 4.480 0.001 0.000 0.352 2369 M C -1.960 174.321 176.300 -0.032 0.000 1.376 2369 M CA -2.611 52.568 55.300 -0.201 0.000 1.107 2369 M CB 0.018 32.267 32.600 -0.585 0.000 1.723 2369 M HN 0.331 nan 8.290 nan 0.000 0.461 2370 P HA 0.168 nan 4.420 nan 0.000 0.281 2370 P C -0.833 176.601 177.300 0.224 0.000 1.249 2370 P CA -0.346 62.821 63.100 0.111 0.000 0.810 2370 P CB 1.015 32.758 31.700 0.072 0.000 1.008 2371 D N 2.281 122.789 120.400 0.180 0.000 2.551 2371 D HA 0.200 4.841 4.640 0.001 0.000 0.223 2371 D C 0.032 176.371 176.300 0.065 0.000 1.144 2371 D CA 0.274 54.357 54.000 0.139 0.000 1.025 2371 D CB -0.013 40.828 40.800 0.068 0.000 1.085 2371 D HN 0.230 nan 8.370 nan 0.000 0.506 2372 L N 2.956 124.229 121.223 0.085 0.000 2.322 2372 L HA 0.369 4.709 4.340 0.001 0.000 0.279 2372 L C -1.962 174.907 176.870 -0.002 0.000 1.036 2372 L CA -1.975 52.886 54.840 0.035 0.000 0.807 2372 L CB 1.603 43.686 42.059 0.041 0.000 1.226 2372 L HN -0.031 nan 8.230 nan 0.000 0.433 2373 P HA 0.112 nan 4.420 nan 0.000 0.269 2373 P C 0.407 177.693 177.300 -0.023 0.000 1.209 2373 P CA 0.576 63.660 63.100 -0.027 0.000 0.776 2373 P CB 1.052 32.743 31.700 -0.014 0.000 0.876 2374 G N 2.574 111.363 108.800 -0.019 0.000 2.539 2374 G HA2 -0.308 3.653 3.960 0.001 0.000 0.256 2374 G HA3 -0.308 3.653 3.960 0.001 0.000 0.256 2374 G C 0.883 175.746 174.900 -0.062 0.000 1.233 2374 G CA 0.117 45.211 45.100 -0.011 0.000 0.936 2374 G HN 0.442 nan 8.290 nan 0.000 0.571 2375 I N 1.819 122.279 120.570 -0.184 0.000 2.546 2375 I HA 0.231 4.401 4.170 0.001 0.000 0.255 2375 I C 2.296 178.215 176.117 -0.331 0.000 1.163 2375 I CA 1.582 62.669 61.300 -0.355 0.000 1.457 2375 I CB -0.332 37.163 38.000 -0.841 0.000 1.092 2375 I HN 1.904 nan 8.210 nan 0.000 0.434 2376 G N 0.028 108.666 108.800 -0.270 0.000 2.138 2376 G HA2 -0.257 3.703 3.960 0.001 0.000 0.193 2376 G HA3 -0.257 3.703 3.960 0.001 0.000 0.193 2376 G C 0.610 175.490 174.900 -0.034 0.000 0.998 2376 G CA -0.232 44.806 45.100 -0.104 0.000 0.668 2376 G HN 0.316 nan 8.290 nan 0.000 0.516 2377 F N 0.793 120.788 119.950 0.076 0.000 2.126 2377 F HA -0.052 4.475 4.527 0.001 0.000 0.299 2377 F C 2.526 178.285 175.800 -0.070 0.000 1.096 2377 F CA 1.457 59.496 58.000 0.065 0.000 1.255 2377 F CB -0.064 39.017 39.000 0.134 0.000 0.997 2377 F HN 0.222 nan 8.300 nan 0.000 0.479 2378 E N 0.180 120.326 120.200 -0.089 0.000 2.273 2378 E HA -0.157 4.194 4.350 0.001 0.000 0.198 2378 E C 2.183 178.693 176.600 -0.150 0.000 1.002 2378 E CA 0.984 57.082 56.400 -0.503 0.000 0.828 2378 E CB -0.696 28.692 29.700 -0.520 0.000 0.747 2378 E HN 0.390 nan 8.360 nan 0.000 0.491 2379 G N -0.078 108.716 108.800 -0.011 0.000 2.985 2379 G HA2 -0.101 3.859 3.960 0.001 0.000 0.209 2379 G HA3 -0.101 3.859 3.960 0.001 0.000 0.209 2379 G C 0.433 175.384 174.900 0.086 0.000 1.165 2379 G CA -0.293 44.831 45.100 0.041 0.000 0.776 2379 G HN 0.053 nan 8.290 nan 0.000 0.541 2380 K N 1.354 121.826 120.400 0.120 0.000 2.540 2380 K HA 0.271 4.591 4.320 0.001 0.000 0.218 2380 K C 1.715 178.389 176.600 0.123 0.000 1.017 2380 K CA 0.092 56.453 56.287 0.123 0.000 1.029 2380 K CB 0.616 33.208 32.500 0.153 0.000 1.348 2380 K HN 0.139 nan 8.250 nan 0.000 0.508 2381 S N 2.523 118.288 115.700 0.108 0.000 2.393 2381 S HA -0.279 4.192 4.470 0.001 0.000 0.235 2381 S C 1.193 175.823 174.600 0.049 0.000 1.061 2381 S CA 2.049 60.315 58.200 0.110 0.000 1.129 2381 S CB -0.441 62.802 63.200 0.071 0.000 1.011 2381 S HN 0.644 nan 8.310 nan 0.000 0.436 2382 D N 1.322 121.722 120.400 -0.001 0.000 2.133 2382 D HA -0.044 4.596 4.640 0.001 0.000 0.195 2382 D C 1.935 178.157 176.300 -0.129 0.000 0.997 2382 D CA 1.263 55.223 54.000 -0.067 0.000 0.840 2382 D CB -0.420 40.335 40.800 -0.075 0.000 0.947 2382 D HN 0.355 nan 8.370 nan 0.000 0.452 2383 L N -0.697 120.457 121.223 -0.115 0.000 2.072 2383 L HA -0.178 4.163 4.340 0.001 0.000 0.205 2383 L C 2.184 178.963 176.870 -0.151 0.000 1.079 2383 L CA 1.078 55.787 54.840 -0.218 0.000 0.752 2383 L CB -0.230 41.740 42.059 -0.149 0.000 0.906 2383 L HN 0.127 nan 8.230 nan 0.000 0.436 2384 Y N 1.770 121.976 120.300 -0.157 0.000 2.224 2384 Y HA -0.305 4.246 4.550 0.001 0.000 0.289 2384 Y C 2.576 178.370 175.900 -0.176 0.000 1.146 2384 Y CA 2.097 60.101 58.100 -0.160 0.000 1.182 2384 Y CB -0.366 38.071 38.460 -0.038 0.000 0.983 2384 Y HN 0.270 nan 8.280 nan 0.000 0.524 2385 K N -0.403 119.851 120.400 -0.243 0.000 2.097 2385 K HA -0.237 4.084 4.320 0.001 0.000 0.206 2385 K C 1.926 178.356 176.600 -0.283 0.000 1.049 2385 K CA 1.817 57.922 56.287 -0.303 0.000 0.933 2385 K CB -0.427 31.970 32.500 -0.170 0.000 0.717 2385 K HN 0.240 nan 8.250 nan 0.000 0.442 2386 E N 1.230 121.274 120.200 -0.260 0.000 2.106 2386 E HA -0.094 4.257 4.350 0.001 0.000 0.192 2386 E C 2.004 178.453 176.600 -0.251 0.000 0.984 2386 E CA 1.474 57.730 56.400 -0.240 0.000 0.806 2386 E CB -0.112 29.409 29.700 -0.298 0.000 0.750 2386 E HN 0.410 nan 8.360 nan 0.000 0.458 2387 M N -0.178 119.203 119.600 -0.365 0.000 2.156 2387 M HA -0.084 4.396 4.480 0.001 0.000 0.264 2387 M C 2.120 178.209 176.300 -0.351 0.000 1.067 2387 M CA 1.425 56.419 55.300 -0.511 0.000 1.131 2387 M CB -0.128 31.841 32.600 -1.052 0.000 1.368 2387 M HN -0.050 nan 8.290 nan 0.000 0.416 2388 K N 0.706 120.853 120.400 -0.421 0.000 2.097 2388 K HA -0.078 4.243 4.320 0.001 0.000 0.206 2388 K C 2.090 178.616 176.600 -0.124 0.000 1.049 2388 K CA 1.463 57.582 56.287 -0.280 0.000 0.933 2388 K CB -0.346 31.864 32.500 -0.483 0.000 0.717 2388 K HN 0.292 nan 8.250 nan 0.000 0.442 2389 A N 1.086 123.820 122.820 -0.143 0.000 1.978 2389 A HA -0.154 4.166 4.320 0.001 0.000 0.220 2389 A C 2.058 179.629 177.584 -0.023 0.000 1.170 2389 A CA 1.228 53.218 52.037 -0.078 0.000 0.636 2389 A CB -0.378 18.569 19.000 -0.088 0.000 0.810 2389 A HN 0.248 nan 8.150 nan 0.000 0.448 2390 L N -1.917 119.308 121.223 0.003 0.000 2.095 2390 L HA 0.448 4.788 4.340 0.001 0.000 0.204 2390 L C 0.803 177.734 176.870 0.102 0.000 1.080 2390 L CA 1.668 56.545 54.840 0.062 0.000 0.759 2390 L CB -0.250 41.871 42.059 0.103 0.000 0.914 2390 L HN 0.479 nan 8.230 nan 0.000 0.439 2391 A N -1.314 121.602 122.820 0.160 0.000 2.605 2391 A HA 0.671 4.991 4.320 0.001 0.000 0.294 2391 A C -0.930 176.779 177.584 0.208 0.000 1.062 2391 A CA -0.318 51.816 52.037 0.162 0.000 0.682 2391 A CB 1.043 20.137 19.000 0.158 0.000 1.278 2391 A HN 0.205 nan 8.150 nan 0.000 0.410 2392 E N 0.000 120.284 120.200 0.140 0.000 2.725 2392 E HA 0.000 4.350 4.350 0.001 0.000 0.291 2392 E CA 0.000 56.490 56.400 0.150 0.000 0.976 2392 E CB 0.000 29.758 29.700 0.096 0.000 0.812 2392 E HN 0.000 nan 8.360 nan 0.000 0.440