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 1fwt_1_B DATA FIRST_RESID 2003 DATA SEQUENCE KFLVIAGPCA IESEELLLKV GEEIKRLSEK FKEVEFVFKS SFDKANRSSI DATA SEQUENCE HSFRGHGLEY GVKALRKVKE EFGLKITTDI HESWQAEPVA EVADIIQIPA DATA SEQUENCE FLCRQTDLLL AAAKTGRAVN VKKGQFLAPW DTKNVVEKLK FGGAKEIYLT DATA SEQUENCE ERGTTFGYNN LVVDFRSLPI MKQWAKVIYD ATHSVQLPGX XXXXXXXMRE DATA SEQUENCE FIFPLIRAAV AVGCDGVFME THPEPEKALS DASTQLPLSQ LEGIIEAILE DATA SEQUENCE IREVASKYYE TI 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 2003 K HA 0.000 nan 4.320 nan 0.000 0.191 2003 K C 0.000 176.692 176.600 0.153 0.000 0.988 2003 K CA 0.000 56.367 56.287 0.133 0.000 0.838 2003 K CB 0.000 32.575 32.500 0.125 0.000 1.064 2004 F N 1.760 121.724 119.950 0.024 0.000 2.623 2004 F HA 0.121 4.648 4.527 0.001 0.000 0.383 2004 F C -0.115 175.650 175.800 -0.059 0.000 1.077 2004 F CA -0.234 57.764 58.000 -0.004 0.000 1.268 2004 F CB 0.461 39.449 39.000 -0.020 0.000 1.053 2004 F HN 0.431 nan 8.300 nan 0.000 0.571 2005 L N 6.849 127.706 121.223 -0.611 0.000 2.307 2005 L HA 0.550 4.891 4.340 0.001 0.000 0.282 2005 L C -1.153 175.333 176.870 -0.639 0.000 1.051 2005 L CA -0.398 54.149 54.840 -0.489 0.000 0.804 2005 L CB 1.488 43.333 42.059 -0.357 0.000 1.197 2005 L HN 0.368 nan 8.230 nan 0.000 0.431 2006 V N 6.763 126.382 119.914 -0.492 0.000 2.447 2006 V HA 0.415 4.536 4.120 0.001 0.000 0.292 2006 V C -0.176 175.730 176.094 -0.313 0.000 1.021 2006 V CA -0.426 61.602 62.300 -0.453 0.000 0.850 2006 V CB 1.445 32.853 31.823 -0.692 0.000 1.005 2006 V HN 0.551 nan 8.190 nan 0.000 0.426 2007 I N 4.630 125.048 120.570 -0.253 0.000 2.312 2007 I HA 0.793 4.963 4.170 0.001 0.000 0.290 2007 I C 0.355 176.240 176.117 -0.387 0.000 1.008 2007 I CA -0.090 61.055 61.300 -0.259 0.000 1.226 2007 I CB 1.458 39.333 38.000 -0.209 0.000 1.371 2007 I HN 0.694 nan 8.210 nan 0.000 0.468 2008 A N 4.659 127.285 122.820 -0.324 0.000 2.556 2008 A HA 1.017 5.338 4.320 0.001 0.000 0.294 2008 A C -0.380 176.904 177.584 -0.500 0.000 1.091 2008 A CA -0.320 51.495 52.037 -0.371 0.000 0.704 2008 A CB 2.047 20.958 19.000 -0.149 0.000 1.300 2008 A HN 0.900 nan 8.150 nan 0.000 0.406 2009 G N -0.197 108.299 108.800 -0.508 0.000 2.352 2009 G HA2 0.489 4.450 3.960 0.001 0.000 0.302 2009 G HA3 0.489 4.450 3.960 0.001 0.000 0.302 2009 G C -3.575 171.095 174.900 -0.383 0.000 1.370 2009 G CA -0.268 44.429 45.100 -0.672 0.000 0.918 2009 G HN 0.719 nan 8.290 nan 0.000 0.610 2010 P HA 0.234 nan 4.420 nan 0.000 0.275 2010 P C 1.372 178.659 177.300 -0.021 0.000 1.227 2010 P CA 0.041 63.105 63.100 -0.060 0.000 0.781 2010 P CB 1.627 33.326 31.700 -0.000 0.000 0.906 2011 C N 3.439 122.767 119.300 0.046 0.000 2.367 2011 C HA -0.049 4.412 4.460 0.001 0.000 0.276 2011 C C 1.296 176.367 174.990 0.135 0.000 1.195 2011 C CA 1.790 60.862 59.018 0.091 0.000 1.756 2011 C CB -1.384 26.422 27.740 0.109 0.000 2.046 2011 C HN 0.702 nan 8.230 nan 0.000 0.453 2012 A N -0.566 122.370 122.820 0.194 0.000 2.356 2012 A HA 0.706 5.027 4.320 0.001 0.000 0.323 2012 A C -0.315 177.461 177.584 0.319 0.000 1.119 2012 A CA -0.601 51.603 52.037 0.279 0.000 0.790 2012 A CB 0.460 19.722 19.000 0.437 0.000 1.273 2012 A HN 0.465 nan 8.150 nan 0.000 0.452 2013 I N 2.372 123.169 120.570 0.379 0.000 2.268 2013 I HA 0.030 4.200 4.170 0.001 0.000 0.298 2013 I C 0.796 177.231 176.117 0.531 0.000 1.185 2013 I CA 0.237 61.786 61.300 0.415 0.000 1.548 2013 I CB -0.216 38.052 38.000 0.448 0.000 1.492 2013 I HN 0.840 nan 8.210 nan 0.000 0.711 2014 E N 3.032 123.463 120.200 0.384 0.000 2.268 2014 E HA -0.080 4.271 4.350 0.001 0.000 0.195 2014 E C 0.315 177.089 176.600 0.290 0.000 0.995 2014 E CA 0.491 57.062 56.400 0.285 0.000 0.836 2014 E CB 0.070 29.796 29.700 0.043 0.000 0.763 2014 E HN 0.708 nan 8.360 nan 0.000 0.491 2015 S N -0.726 115.133 115.700 0.264 0.000 2.678 2015 S HA 0.008 4.479 4.470 0.001 0.000 0.290 2015 S C 0.214 174.948 174.600 0.223 0.000 1.047 2015 S CA -0.696 57.635 58.200 0.218 0.000 0.851 2015 S CB 0.924 64.185 63.200 0.101 0.000 1.058 2015 S HN 0.228 nan 8.310 nan 0.000 0.451 2016 E N 0.956 121.273 120.200 0.195 0.000 2.338 2016 E HA -0.168 4.183 4.350 0.001 0.000 0.197 2016 E C 1.351 177.980 176.600 0.048 0.000 1.007 2016 E CA 1.144 57.573 56.400 0.048 0.000 0.849 2016 E CB -0.131 29.498 29.700 -0.119 0.000 0.774 2016 E HN 0.778 nan 8.360 nan 0.000 0.506 2017 E N 0.819 121.056 120.200 0.063 0.000 2.051 2017 E HA -0.220 4.131 4.350 0.001 0.000 0.192 2017 E C 2.127 178.752 176.600 0.042 0.000 0.991 2017 E CA 1.103 57.529 56.400 0.043 0.000 0.799 2017 E CB -0.094 29.630 29.700 0.040 0.000 0.748 2017 E HN 0.377 nan 8.360 nan 0.000 0.449 2018 L N 1.118 122.370 121.223 0.048 0.000 2.046 2018 L HA -0.168 4.173 4.340 0.001 0.000 0.208 2018 L C 2.209 179.113 176.870 0.056 0.000 1.077 2018 L CA 1.585 56.433 54.840 0.012 0.000 0.747 2018 L CB -0.388 41.670 42.059 -0.002 0.000 0.896 2018 L HN 0.237 nan 8.230 nan 0.000 0.432 2019 L N -1.222 120.076 121.223 0.124 0.000 2.131 2019 L HA -0.225 4.116 4.340 0.001 0.000 0.210 2019 L C 2.514 179.422 176.870 0.064 0.000 1.092 2019 L CA 1.164 56.126 54.840 0.203 0.000 0.759 2019 L CB -0.678 41.485 42.059 0.172 0.000 0.903 2019 L HN 0.358 nan 8.230 nan 0.000 0.435 2020 L N -0.246 121.017 121.223 0.066 0.000 2.109 2020 L HA -0.171 4.170 4.340 0.001 0.000 0.207 2020 L C 2.704 179.631 176.870 0.094 0.000 1.086 2020 L CA 1.098 56.025 54.840 0.145 0.000 0.760 2020 L CB -0.409 41.721 42.059 0.119 0.000 0.910 2020 L HN 0.234 nan 8.230 nan 0.000 0.437 2021 K N 0.209 120.633 120.400 0.040 0.000 2.025 2021 K HA -0.139 4.181 4.320 0.001 0.000 0.207 2021 K C 1.992 178.565 176.600 -0.046 0.000 1.049 2021 K CA 1.328 57.612 56.287 -0.004 0.000 0.933 2021 K CB 0.066 32.557 32.500 -0.016 0.000 0.714 2021 K HN 0.051 nan 8.250 nan 0.000 0.438 2022 V N 0.550 120.461 119.914 -0.005 0.000 2.427 2022 V HA -0.138 3.983 4.120 0.001 0.000 0.248 2022 V C 2.348 178.449 176.094 0.011 0.000 1.051 2022 V CA 2.011 64.328 62.300 0.028 0.000 1.048 2022 V CB -0.706 31.184 31.823 0.112 0.000 0.666 2022 V HN 0.588 nan 8.190 nan 0.000 0.456 2023 G N -0.682 108.071 108.800 -0.078 0.000 2.422 2023 G HA2 -0.276 3.684 3.960 0.001 0.000 0.218 2023 G HA3 -0.276 3.684 3.960 0.001 0.000 0.218 2023 G C 1.518 175.776 174.900 -1.069 0.000 1.146 2023 G CA 0.901 45.706 45.100 -0.491 0.000 0.769 2023 G HN 0.564 nan 8.290 nan 0.000 0.547 2024 E N 0.180 119.809 120.200 -0.950 0.000 2.051 2024 E HA -0.182 4.169 4.350 0.001 0.000 0.192 2024 E C 2.309 178.654 176.600 -0.424 0.000 0.991 2024 E CA 1.367 57.302 56.400 -0.774 0.000 0.799 2024 E CB -0.085 29.473 29.700 -0.238 0.000 0.748 2024 E HN 0.402 nan 8.360 nan 0.000 0.449 2025 E N 0.872 120.910 120.200 -0.272 0.000 2.077 2025 E HA -0.145 4.206 4.350 0.001 0.000 0.193 2025 E C 1.951 178.427 176.600 -0.206 0.000 0.989 2025 E CA 1.230 57.525 56.400 -0.176 0.000 0.800 2025 E CB -0.295 29.344 29.700 -0.101 0.000 0.746 2025 E HN 0.388 nan 8.360 nan 0.000 0.452 2026 I N 0.210 120.650 120.570 -0.218 0.000 2.394 2026 I HA -0.224 3.946 4.170 0.001 0.000 0.251 2026 I C 2.221 178.103 176.117 -0.391 0.000 1.136 2026 I CA 1.084 62.243 61.300 -0.234 0.000 1.425 2026 I CB -0.245 37.737 38.000 -0.031 0.000 1.079 2026 I HN 0.087 nan 8.210 nan 0.000 0.425 2027 K N 1.543 121.714 120.400 -0.382 0.000 2.057 2027 K HA -0.178 4.143 4.320 0.001 0.000 0.206 2027 K C 2.186 178.628 176.600 -0.263 0.000 1.050 2027 K CA 1.434 57.540 56.287 -0.303 0.000 0.935 2027 K CB -0.298 32.027 32.500 -0.293 0.000 0.715 2027 K HN 0.061 nan 8.250 nan 0.000 0.439 2028 R N -0.166 120.188 120.500 -0.244 0.000 2.082 2028 R HA -0.113 4.227 4.340 0.001 0.000 0.234 2028 R C 1.920 178.079 176.300 -0.235 0.000 1.136 2028 R CA 1.680 57.666 56.100 -0.190 0.000 0.935 2028 R CB -0.393 29.817 30.300 -0.150 0.000 0.842 2028 R HN 0.156 nan 8.270 nan 0.000 0.430 2029 L N 0.746 121.807 121.223 -0.270 0.000 2.079 2029 L HA -0.159 4.181 4.340 0.001 0.000 0.210 2029 L C 2.541 179.174 176.870 -0.395 0.000 1.081 2029 L CA 1.779 56.482 54.840 -0.229 0.000 0.752 2029 L CB -1.545 40.453 42.059 -0.102 0.000 0.896 2029 L HN 0.300 nan 8.230 nan 0.000 0.433 2030 S N -0.674 114.596 115.700 -0.716 0.000 2.383 2030 S HA -0.183 4.288 4.470 0.001 0.000 0.229 2030 S C 1.789 176.313 174.600 -0.128 0.000 1.030 2030 S CA 1.247 59.123 58.200 -0.540 0.000 1.002 2030 S CB 0.036 63.006 63.200 -0.383 0.000 0.829 2030 S HN 0.430 nan 8.310 nan 0.000 0.467 2031 E N 0.714 120.823 120.200 -0.152 0.000 2.216 2031 E HA -0.001 4.349 4.350 0.001 0.000 0.192 2031 E C 1.937 178.462 176.600 -0.125 0.000 0.988 2031 E CA 0.598 56.942 56.400 -0.093 0.000 0.834 2031 E CB -0.194 29.451 29.700 -0.091 0.000 0.772 2031 E HN 0.615 nan 8.360 nan 0.000 0.479 2032 K N -0.244 120.009 120.400 -0.244 0.000 2.186 2032 K HA 0.020 4.341 4.320 0.001 0.000 0.202 2032 K C 0.091 176.400 176.600 -0.486 0.000 1.052 2032 K CA 0.394 56.415 56.287 -0.444 0.000 0.965 2032 K CB 0.225 32.291 32.500 -0.723 0.000 0.746 2032 K HN -0.059 nan 8.250 nan 0.000 0.457 2033 F N 1.753 121.769 119.950 0.111 0.000 2.366 2033 F HA 0.294 4.822 4.527 0.001 0.000 0.328 2033 F C 0.674 176.603 175.800 0.216 0.000 1.180 2033 F CA -0.940 57.176 58.000 0.193 0.000 1.232 2033 F CB 1.200 40.396 39.000 0.326 0.000 1.513 2033 F HN -0.227 nan 8.300 nan 0.000 0.540 2034 K N 0.366 120.909 120.400 0.239 0.000 2.281 2034 K HA -0.185 4.136 4.320 0.001 0.000 0.203 2034 K C 1.637 178.358 176.600 0.201 0.000 1.046 2034 K CA 0.953 57.352 56.287 0.187 0.000 0.938 2034 K CB 0.120 32.685 32.500 0.108 0.000 0.737 2034 K HN 0.393 nan 8.250 nan 0.000 0.458 2035 E N 0.588 120.918 120.200 0.216 0.000 2.502 2035 E HA 0.004 4.355 4.350 0.001 0.000 0.194 2035 E C -0.414 176.299 176.600 0.187 0.000 1.062 2035 E CA 0.030 56.534 56.400 0.174 0.000 0.867 2035 E CB 0.344 30.130 29.700 0.144 0.000 0.888 2035 E HN -0.142 nan 8.360 nan 0.000 0.510 2036 V N 1.231 121.289 119.914 0.241 0.000 2.483 2036 V HA 0.255 4.376 4.120 0.001 0.000 0.295 2036 V C -0.090 176.091 176.094 0.146 0.000 1.035 2036 V CA -0.840 61.550 62.300 0.149 0.000 0.896 2036 V CB 1.733 33.569 31.823 0.021 0.000 0.986 2036 V HN 0.047 nan 8.190 nan 0.000 0.447 2037 E N 3.571 123.785 120.200 0.023 0.000 2.081 2037 E HA 0.380 4.731 4.350 0.001 0.000 0.281 2037 E C -1.422 175.153 176.600 -0.042 0.000 0.986 2037 E CA -0.461 55.980 56.400 0.068 0.000 0.796 2037 E CB 0.612 30.338 29.700 0.044 0.000 1.085 2037 E HN 0.491 nan 8.360 nan 0.000 0.398 2038 F N 2.883 122.863 119.950 0.049 0.000 2.379 2038 F HA 0.329 4.857 4.527 0.001 0.000 0.332 2038 F C 0.064 175.877 175.800 0.022 0.000 1.096 2038 F CA -0.515 57.502 58.000 0.030 0.000 1.105 2038 F CB 1.476 40.510 39.000 0.056 0.000 1.189 2038 F HN 0.131 nan 8.300 nan 0.000 0.515 2039 V N 4.043 124.046 119.914 0.148 0.000 2.569 2039 V HA 0.220 4.341 4.120 0.001 0.000 0.301 2039 V C -0.878 175.279 176.094 0.105 0.000 1.044 2039 V CA -1.028 61.331 62.300 0.099 0.000 0.874 2039 V CB 1.662 33.475 31.823 -0.016 0.000 1.002 2039 V HN 0.542 nan 8.190 nan 0.000 0.424 2040 F N 5.772 125.738 119.950 0.026 0.000 2.438 2040 F HA 0.534 5.061 4.527 0.001 0.000 0.356 2040 F C 0.272 176.063 175.800 -0.014 0.000 1.099 2040 F CA 0.254 58.256 58.000 0.003 0.000 1.185 2040 F CB 0.513 39.527 39.000 0.023 0.000 1.115 2040 F HN 0.393 nan 8.300 nan 0.000 0.526 2041 K N 4.681 124.719 120.400 -0.602 0.000 2.316 2041 K HA 0.608 4.928 4.320 0.001 0.000 0.251 2041 K C -1.640 174.703 176.600 -0.429 0.000 0.934 2041 K CA -0.466 55.604 56.287 -0.361 0.000 0.802 2041 K CB 1.840 34.139 32.500 -0.335 0.000 1.171 2041 K HN 0.674 nan 8.250 nan 0.000 0.426 2042 S N 1.332 116.982 115.700 -0.084 0.000 2.583 2042 S HA 0.265 4.735 4.470 0.001 0.000 0.294 2042 S C -1.702 172.982 174.600 0.140 0.000 1.121 2042 S CA -0.544 57.674 58.200 0.031 0.000 0.910 2042 S CB 0.909 64.191 63.200 0.137 0.000 1.102 2042 S HN 0.514 nan 8.310 nan 0.000 0.451 2043 S N 3.652 119.425 115.700 0.122 0.000 2.513 2043 S HA 0.338 4.808 4.470 0.001 0.000 0.276 2043 S C 0.867 175.543 174.600 0.127 0.000 1.254 2043 S CA -0.541 57.697 58.200 0.064 0.000 1.053 2043 S CB 0.164 63.368 63.200 0.006 0.000 0.958 2043 S HN 0.698 nan 8.310 nan 0.000 0.491 2044 F N 0.454 120.507 119.950 0.173 0.000 2.780 2044 F HA 0.440 4.968 4.527 0.001 0.000 0.299 2044 F C 0.367 176.236 175.800 0.115 0.000 1.146 2044 F CA -0.386 57.722 58.000 0.179 0.000 1.428 2044 F CB -0.022 39.077 39.000 0.165 0.000 1.115 2044 F HN 0.454 nan 8.300 nan 0.000 0.583 2045 D N 0.262 120.450 120.400 -0.353 0.000 2.878 2045 D HA 0.201 4.842 4.640 0.001 0.000 0.211 2045 D C -1.527 174.537 176.300 -0.394 0.000 1.271 2045 D CA -0.609 53.186 54.000 -0.341 0.000 0.845 2045 D CB 1.200 41.802 40.800 -0.331 0.000 1.679 2045 D HN -0.157 nan 8.370 nan 0.000 0.536 2046 K N 3.027 123.244 120.400 -0.306 0.000 2.231 2046 K HA 0.527 4.848 4.320 0.001 0.000 0.255 2046 K C 0.471 176.897 176.600 -0.289 0.000 1.108 2046 K CA -0.343 55.808 56.287 -0.226 0.000 0.997 2046 K CB 0.884 33.319 32.500 -0.109 0.000 1.549 2046 K HN 0.457 nan 8.250 nan 0.000 0.419 2047 A N 2.561 125.098 122.820 -0.473 0.000 2.235 2047 A HA -0.101 4.220 4.320 0.001 0.000 0.208 2047 A C 1.012 178.502 177.584 -0.157 0.000 1.172 2047 A CA 0.725 52.520 52.037 -0.403 0.000 0.786 2047 A CB -0.608 17.955 19.000 -0.729 0.000 0.804 2047 A HN 0.809 nan 8.150 nan 0.000 0.479 2048 N N -1.445 117.207 118.700 -0.080 0.000 2.365 2048 N HA 0.127 4.868 4.740 0.001 0.000 0.257 2048 N C -0.274 175.275 175.510 0.065 0.000 1.287 2048 N CA -0.752 52.329 53.050 0.052 0.000 0.882 2048 N CB 0.501 39.092 38.487 0.173 0.000 1.250 2048 N HN -0.058 nan 8.380 nan 0.000 0.507 2049 R N 0.585 121.090 120.500 0.008 0.000 2.756 2049 R HA 0.086 4.427 4.340 0.001 0.000 0.264 2049 R C 0.954 177.277 176.300 0.038 0.000 1.026 2049 R CA 0.061 56.177 56.100 0.026 0.000 1.121 2049 R CB 0.457 30.759 30.300 0.003 0.000 0.999 2049 R HN 0.200 nan 8.270 nan 0.000 0.449 2050 S N 0.304 116.033 115.700 0.048 0.000 2.355 2050 S HA -0.090 4.381 4.470 0.001 0.000 0.222 2050 S C 1.045 175.647 174.600 0.003 0.000 1.031 2050 S CA 0.957 59.179 58.200 0.037 0.000 0.993 2050 S CB 0.026 63.254 63.200 0.046 0.000 0.859 2050 S HN 0.643 nan 8.310 nan 0.000 0.453 2051 S N 0.185 115.887 115.700 0.002 0.000 2.541 2051 S HA 0.369 4.840 4.470 0.001 0.000 0.283 2051 S C 0.730 175.285 174.600 -0.075 0.000 1.196 2051 S CA -0.690 57.492 58.200 -0.030 0.000 1.062 2051 S CB 0.922 64.133 63.200 0.018 0.000 1.009 2051 S HN 0.184 nan 8.310 nan 0.000 0.502 2052 I N 4.032 124.488 120.570 -0.189 0.000 2.614 2052 I HA 0.002 4.173 4.170 0.001 0.000 0.258 2052 I C 1.275 177.273 176.117 -0.198 0.000 1.189 2052 I CA 1.707 62.868 61.300 -0.232 0.000 1.462 2052 I CB -0.300 37.495 38.000 -0.342 0.000 1.092 2052 I HN 0.847 nan 8.210 nan 0.000 0.442 2053 H N -1.221 117.853 119.070 0.007 0.000 2.526 2053 H HA 0.312 4.869 4.556 0.001 0.000 0.274 2053 H C 0.917 176.263 175.328 0.030 0.000 0.999 2053 H CA -0.239 55.818 56.048 0.015 0.000 1.157 2053 H CB 0.147 29.919 29.762 0.016 0.000 1.407 2053 H HN 0.172 nan 8.280 nan 0.000 0.568 2054 S N 0.476 116.242 115.700 0.111 0.000 2.652 2054 S HA 0.104 4.575 4.470 0.001 0.000 0.270 2054 S C -0.303 174.366 174.600 0.115 0.000 1.243 2054 S CA -0.805 57.464 58.200 0.114 0.000 0.999 2054 S CB 0.803 64.055 63.200 0.085 0.000 0.973 2054 S HN 0.236 nan 8.310 nan 0.000 0.544 2055 F N 1.918 121.870 119.950 0.004 0.000 2.538 2055 F HA 0.189 4.716 4.527 0.001 0.000 0.371 2055 F C 1.276 177.058 175.800 -0.030 0.000 1.087 2055 F CA 0.272 58.261 58.000 -0.019 0.000 1.250 2055 F CB 0.374 39.368 39.000 -0.010 0.000 1.110 2055 F HN 0.555 nan 8.300 nan 0.000 0.570 2056 R N 3.164 123.156 120.500 -0.848 0.000 2.140 2056 R HA 0.479 4.820 4.340 0.001 0.000 0.200 2056 R C 0.567 176.266 176.300 -1.001 0.000 1.069 2056 R CA 0.189 55.876 56.100 -0.689 0.000 1.088 2056 R CB 0.244 30.310 30.300 -0.389 0.000 1.012 2056 R HN 0.886 nan 8.270 nan 0.000 0.500 2057 G N -0.723 107.248 108.800 -1.382 0.000 2.362 2057 G HA2 -0.057 3.904 3.960 0.001 0.000 0.288 2057 G HA3 -0.057 3.904 3.960 0.001 0.000 0.288 2057 G C -1.166 173.416 174.900 -0.530 0.000 1.305 2057 G CA -0.826 43.771 45.100 -0.839 0.000 0.910 2057 G HN 0.289 nan 8.290 nan 0.000 0.518 2058 H N 0.116 119.187 119.070 0.002 0.000 2.542 2058 H HA 0.520 5.076 4.556 0.001 0.000 0.283 2058 H C 1.130 176.503 175.328 0.074 0.000 1.059 2058 H CA 1.064 57.085 56.048 -0.044 0.000 1.162 2058 H CB 0.694 30.231 29.762 -0.375 0.000 1.539 2058 H HN 1.734 nan 8.280 nan 0.000 0.543 2059 G N 0.080 109.013 108.800 0.222 0.000 2.619 2059 G HA2 -0.217 3.744 3.960 0.001 0.000 0.686 2059 G HA3 -0.217 3.744 3.960 0.001 0.000 0.686 2059 G C 0.159 175.245 174.900 0.310 0.000 1.256 2059 G CA -0.310 44.945 45.100 0.258 0.000 0.826 2059 G HN 0.183 nan 8.290 nan 0.000 0.619 2060 L N 0.419 121.753 121.223 0.186 0.000 2.046 2060 L HA 0.126 4.467 4.340 0.001 0.000 0.208 2060 L C 2.509 179.308 176.870 -0.119 0.000 1.077 2060 L CA 3.057 57.758 54.840 -0.232 0.000 0.747 2060 L CB -0.827 41.050 42.059 -0.303 0.000 0.896 2060 L HN 0.818 nan 8.230 nan 0.000 0.432 2061 E N -1.541 118.682 120.200 0.039 0.000 2.031 2061 E HA -0.306 4.045 4.350 0.001 0.000 0.193 2061 E C 2.143 178.798 176.600 0.092 0.000 0.994 2061 E CA 1.823 58.254 56.400 0.053 0.000 0.800 2061 E CB -0.455 29.298 29.700 0.087 0.000 0.752 2061 E HN 0.604 nan 8.360 nan 0.000 0.447 2062 Y N 0.974 121.311 120.300 0.061 0.000 2.165 2062 Y HA -0.209 4.342 4.550 0.001 0.000 0.286 2062 Y C 2.199 178.152 175.900 0.089 0.000 1.155 2062 Y CA 1.866 60.013 58.100 0.079 0.000 1.164 2062 Y CB -0.545 37.993 38.460 0.130 0.000 0.978 2062 Y HN 0.024 nan 8.280 nan 0.000 0.513 2063 G N -0.619 108.357 108.800 0.292 0.000 2.433 2063 G HA2 -0.244 3.716 3.960 0.001 0.000 0.216 2063 G HA3 -0.244 3.716 3.960 0.001 0.000 0.216 2063 G C 1.683 176.625 174.900 0.071 0.000 1.186 2063 G CA 1.361 46.612 45.100 0.252 0.000 0.779 2063 G HN 0.347 nan 8.290 nan 0.000 0.543 2064 V N 1.092 120.990 119.914 -0.026 0.000 2.407 2064 V HA -0.174 3.946 4.120 0.001 0.000 0.248 2064 V C 2.688 178.747 176.094 -0.058 0.000 1.055 2064 V CA 2.234 64.502 62.300 -0.054 0.000 1.049 2064 V CB -0.361 31.401 31.823 -0.102 0.000 0.662 2064 V HN 0.464 nan 8.190 nan 0.000 0.455 2065 K N 0.489 120.832 120.400 -0.094 0.000 2.025 2065 K HA -0.166 4.155 4.320 0.001 0.000 0.207 2065 K C 2.211 178.710 176.600 -0.168 0.000 1.049 2065 K CA 1.617 57.823 56.287 -0.135 0.000 0.933 2065 K CB -0.309 32.084 32.500 -0.177 0.000 0.714 2065 K HN 0.404 nan 8.250 nan 0.000 0.438 2066 A N 1.562 124.246 122.820 -0.227 0.000 1.902 2066 A HA -0.108 4.213 4.320 0.001 0.000 0.217 2066 A C 2.166 179.699 177.584 -0.085 0.000 1.181 2066 A CA 1.269 53.191 52.037 -0.191 0.000 0.623 2066 A CB -0.580 18.307 19.000 -0.188 0.000 0.818 2066 A HN 0.341 nan 8.150 nan 0.000 0.443 2067 L N -1.228 119.984 121.223 -0.018 0.000 2.141 2067 L HA -0.137 4.203 4.340 0.001 0.000 0.209 2067 L C 2.850 179.699 176.870 -0.035 0.000 1.094 2067 L CA 0.782 55.632 54.840 0.017 0.000 0.763 2067 L CB -0.463 41.656 42.059 0.100 0.000 0.908 2067 L HN 0.314 nan 8.230 nan 0.000 0.437 2068 R N 0.435 120.905 120.500 -0.051 0.000 2.073 2068 R HA -0.191 4.150 4.340 0.001 0.000 0.234 2068 R C 2.275 178.521 176.300 -0.090 0.000 1.134 2068 R CA 1.325 57.389 56.100 -0.060 0.000 0.952 2068 R CB -0.314 29.948 30.300 -0.064 0.000 0.850 2068 R HN 0.136 nan 8.270 nan 0.000 0.433 2069 K N 0.779 121.110 120.400 -0.115 0.000 2.032 2069 K HA -0.108 4.213 4.320 0.001 0.000 0.209 2069 K C 1.967 178.460 176.600 -0.177 0.000 1.048 2069 K CA 1.481 57.680 56.287 -0.147 0.000 0.927 2069 K CB -0.560 31.851 32.500 -0.148 0.000 0.712 2069 K HN -0.043 nan 8.250 nan 0.000 0.441 2070 V N 1.327 121.145 119.914 -0.159 0.000 2.255 2070 V HA -0.270 3.851 4.120 0.001 0.000 0.247 2070 V C 2.520 178.569 176.094 -0.074 0.000 1.051 2070 V CA 2.325 64.540 62.300 -0.140 0.000 1.018 2070 V CB -0.593 30.971 31.823 -0.431 0.000 0.641 2070 V HN 0.492 nan 8.190 nan 0.000 0.445 2071 K N 0.095 120.450 120.400 -0.075 0.000 2.057 2071 K HA -0.234 4.087 4.320 0.001 0.000 0.207 2071 K C 2.086 178.655 176.600 -0.052 0.000 1.049 2071 K CA 2.029 58.300 56.287 -0.026 0.000 0.931 2071 K CB -0.156 32.339 32.500 -0.009 0.000 0.714 2071 K HN 0.608 nan 8.250 nan 0.000 0.440 2072 E N 0.224 120.367 120.200 -0.096 0.000 2.072 2072 E HA -0.196 4.155 4.350 0.001 0.000 0.191 2072 E C 2.029 178.518 176.600 -0.184 0.000 0.985 2072 E CA 1.154 57.485 56.400 -0.115 0.000 0.801 2072 E CB 0.020 29.652 29.700 -0.114 0.000 0.750 2072 E HN 0.433 nan 8.360 nan 0.000 0.452 2073 E N -0.444 119.565 120.200 -0.318 0.000 2.152 2073 E HA -0.109 4.241 4.350 0.001 0.000 0.192 2073 E C 0.912 177.100 176.600 -0.686 0.000 0.983 2073 E CA 0.754 56.811 56.400 -0.573 0.000 0.818 2073 E CB 0.218 29.401 29.700 -0.861 0.000 0.758 2073 E HN 0.161 nan 8.360 nan 0.000 0.467 2074 F N -1.340 118.552 119.950 -0.096 0.000 2.746 2074 F HA 0.355 4.883 4.527 0.001 0.000 0.313 2074 F C 1.263 177.027 175.800 -0.059 0.000 1.095 2074 F CA 0.350 58.299 58.000 -0.085 0.000 1.224 2074 F CB 1.091 40.023 39.000 -0.114 0.000 1.060 2074 F HN 0.046 nan 8.300 nan 0.000 0.584 2075 G N 1.869 110.715 108.800 0.076 0.000 2.221 2075 G HA2 -0.296 3.665 3.960 0.001 0.000 0.265 2075 G HA3 -0.296 3.665 3.960 0.001 0.000 0.265 2075 G C -0.110 174.840 174.900 0.083 0.000 1.041 2075 G CA -0.019 45.115 45.100 0.057 0.000 0.807 2075 G HN 0.291 nan 8.290 nan 0.000 0.502 2076 L N -0.292 120.993 121.223 0.102 0.000 2.322 2076 L HA 0.451 4.791 4.340 0.001 0.000 0.279 2076 L C 1.122 178.059 176.870 0.111 0.000 1.036 2076 L CA -0.967 53.942 54.840 0.115 0.000 0.807 2076 L CB 1.184 43.319 42.059 0.127 0.000 1.226 2076 L HN 0.039 nan 8.230 nan 0.000 0.433 2077 K N 2.501 122.974 120.400 0.122 0.000 2.276 2077 K HA 0.351 4.672 4.320 0.001 0.000 0.259 2077 K C -0.610 176.072 176.600 0.138 0.000 1.001 2077 K CA -0.256 56.095 56.287 0.107 0.000 0.927 2077 K CB 0.772 33.327 32.500 0.092 0.000 0.969 2077 K HN 0.303 nan 8.250 nan 0.000 0.490 2078 I N 0.653 121.294 120.570 0.118 0.000 2.740 2078 I HA 0.288 4.459 4.170 0.001 0.000 0.303 2078 I C 0.040 176.223 176.117 0.111 0.000 1.044 2078 I CA -0.401 60.991 61.300 0.153 0.000 1.064 2078 I CB 1.905 39.988 38.000 0.139 0.000 1.249 2078 I HN 0.574 nan 8.210 nan 0.000 0.433 2079 T N 2.648 117.274 114.554 0.120 0.000 3.041 2079 T HA 0.606 4.957 4.350 0.001 0.000 0.321 2079 T C -1.065 173.695 174.700 0.100 0.000 1.184 2079 T CA -0.204 61.943 62.100 0.078 0.000 1.050 2079 T CB 1.545 70.430 68.868 0.030 0.000 1.159 2079 T HN 0.851 nan 8.240 nan 0.000 0.469 2080 T N 2.452 117.067 114.554 0.101 0.000 2.821 2080 T HA 0.564 4.915 4.350 0.001 0.000 0.306 2080 T C -1.977 172.757 174.700 0.056 0.000 1.313 2080 T CA -0.702 61.472 62.100 0.124 0.000 1.012 2080 T CB 1.480 70.501 68.868 0.255 0.000 1.298 2080 T HN 0.801 nan 8.240 nan 0.000 0.502 2081 D N 2.383 122.760 120.400 -0.039 0.000 2.229 2081 D HA 0.551 5.192 4.640 0.001 0.000 0.249 2081 D C 0.257 176.323 176.300 -0.391 0.000 1.027 2081 D CA -0.649 53.228 54.000 -0.205 0.000 0.923 2081 D CB 1.085 41.729 40.800 -0.260 0.000 1.174 2081 D HN 0.770 nan 8.370 nan 0.000 0.443 2082 I N -2.798 117.498 120.570 -0.456 0.000 2.910 2082 I HA 0.504 4.675 4.170 0.001 0.000 0.310 2082 I C -0.405 175.233 176.117 -0.798 0.000 1.043 2082 I CA -0.984 60.033 61.300 -0.471 0.000 1.053 2082 I CB 1.968 39.856 38.000 -0.186 0.000 1.242 2082 I HN 0.317 nan 8.210 nan 0.000 0.452 2083 H N 0.030 119.039 119.070 -0.103 0.000 3.457 2083 H HA 0.450 5.007 4.556 0.001 0.000 0.255 2083 H C -0.617 174.682 175.328 -0.049 0.000 1.082 2083 H CA -0.234 55.769 56.048 -0.074 0.000 1.189 2083 H CB 0.806 30.524 29.762 -0.073 0.000 1.511 2083 H HN 0.586 nan 8.280 nan 0.000 0.527 2084 E N -0.319 119.850 120.200 -0.051 0.000 2.356 2084 E HA 0.276 4.627 4.350 0.001 0.000 0.275 2084 E C 0.046 176.551 176.600 -0.158 0.000 0.904 2084 E CA -0.300 56.082 56.400 -0.030 0.000 0.757 2084 E CB 2.449 32.233 29.700 0.139 0.000 1.232 2084 E HN -0.026 nan 8.360 nan 0.000 0.442 2085 S N 1.499 117.202 115.700 0.005 0.000 2.380 2085 S HA -0.186 4.285 4.470 0.001 0.000 0.229 2085 S C 1.601 176.218 174.600 0.030 0.000 1.043 2085 S CA 1.870 60.085 58.200 0.025 0.000 1.038 2085 S CB -0.292 62.965 63.200 0.096 0.000 0.872 2085 S HN 0.738 nan 8.310 nan 0.000 0.456 2086 W N 1.991 123.325 121.300 0.056 0.000 2.387 2086 W HA -0.112 4.548 4.660 0.001 0.000 0.272 2086 W C 1.245 177.793 176.519 0.050 0.000 1.224 2086 W CA 0.873 58.247 57.345 0.047 0.000 1.210 2086 W CB -0.918 28.569 29.460 0.045 0.000 1.125 2086 W HN 0.417 nan 8.180 nan 0.000 0.572 2087 Q N 0.928 120.299 119.800 -0.716 0.000 2.297 2087 Q HA 0.002 4.343 4.340 0.001 0.000 0.204 2087 Q C 2.691 178.545 176.000 -0.243 0.000 0.962 2087 Q CA 1.285 56.683 55.803 -0.675 0.000 0.879 2087 Q CB -0.352 27.914 28.738 -0.788 0.000 0.947 2087 Q HN 0.317 nan 8.270 nan 0.000 0.462 2088 A N 1.920 124.655 122.820 -0.141 0.000 1.873 2088 A HA -0.309 4.012 4.320 0.001 0.000 0.218 2088 A C 1.988 179.556 177.584 -0.026 0.000 1.193 2088 A CA 1.848 53.849 52.037 -0.060 0.000 0.629 2088 A CB -0.617 18.367 19.000 -0.026 0.000 0.826 2088 A HN 0.444 nan 8.150 nan 0.000 0.447 2089 E N -0.421 119.782 120.200 0.004 0.000 2.023 2089 E HA -0.170 4.180 4.350 0.001 0.000 0.196 2089 E C -0.461 176.144 176.600 0.009 0.000 1.003 2089 E CA 1.589 58.002 56.400 0.021 0.000 0.809 2089 E CB -0.663 29.066 29.700 0.049 0.000 0.755 2089 E HN 0.500 nan 8.360 nan 0.000 0.449 2090 P HA -0.127 nan 4.420 nan 0.000 0.218 2090 P C 1.604 178.874 177.300 -0.051 0.000 1.148 2090 P CA 1.056 64.151 63.100 -0.008 0.000 0.822 2090 P CB 0.012 31.723 31.700 0.017 0.000 0.784 2091 V N 0.809 120.676 119.914 -0.078 0.000 2.453 2091 V HA -0.134 3.987 4.120 0.001 0.000 0.247 2091 V C 2.775 178.859 176.094 -0.017 0.000 1.048 2091 V CA 1.833 64.091 62.300 -0.070 0.000 1.049 2091 V CB -1.585 30.208 31.823 -0.049 0.000 0.672 2091 V HN 0.094 nan 8.190 nan 0.000 0.457 2092 A N -0.429 122.386 122.820 -0.008 0.000 2.178 2092 A HA -0.171 4.149 4.320 0.001 0.000 0.218 2092 A C 2.084 179.674 177.584 0.009 0.000 1.157 2092 A CA 1.237 53.279 52.037 0.008 0.000 0.689 2092 A CB -0.326 18.680 19.000 0.010 0.000 0.787 2092 A HN 0.563 nan 8.150 nan 0.000 0.465 2093 E N -0.363 119.837 120.200 0.001 0.000 2.153 2093 E HA -0.108 4.243 4.350 0.001 0.000 0.194 2093 E C 1.680 178.283 176.600 0.004 0.000 0.988 2093 E CA 1.630 58.031 56.400 0.001 0.000 0.811 2093 E CB -0.147 29.549 29.700 -0.007 0.000 0.746 2093 E HN 0.509 nan 8.360 nan 0.000 0.466 2094 V N -0.057 119.861 119.914 0.007 0.000 3.359 2094 V HA 0.226 4.347 4.120 0.001 0.000 0.245 2094 V C 0.863 176.979 176.094 0.037 0.000 1.247 2094 V CA 0.405 62.715 62.300 0.016 0.000 1.145 2094 V CB 0.348 32.178 31.823 0.012 0.000 0.906 2094 V HN 0.061 nan 8.190 nan 0.000 0.464 2095 A N 0.826 123.671 122.820 0.041 0.000 2.404 2095 A HA 0.203 4.523 4.320 0.001 0.000 0.273 2095 A C 0.927 178.541 177.584 0.049 0.000 1.144 2095 A CA -0.036 52.035 52.037 0.056 0.000 0.806 2095 A CB -0.115 18.921 19.000 0.060 0.000 1.080 2095 A HN 0.396 nan 8.150 nan 0.000 0.509 2096 D N 1.719 122.152 120.400 0.055 0.000 2.194 2096 D HA 0.037 4.678 4.640 0.001 0.000 0.204 2096 D C 0.160 176.493 176.300 0.055 0.000 0.964 2096 D CA 1.423 55.456 54.000 0.054 0.000 0.846 2096 D CB 0.258 41.093 40.800 0.058 0.000 0.962 2096 D HN 0.584 nan 8.370 nan 0.000 0.490 2097 I N 1.499 122.097 120.570 0.046 0.000 2.478 2097 I HA 0.265 4.436 4.170 0.001 0.000 0.287 2097 I C -0.418 175.720 176.117 0.035 0.000 1.042 2097 I CA -0.590 60.733 61.300 0.040 0.000 1.067 2097 I CB 2.696 40.687 38.000 -0.015 0.000 1.233 2097 I HN -0.303 nan 8.210 nan 0.000 0.431 2098 I N 5.684 126.276 120.570 0.037 0.000 2.342 2098 I HA 0.218 4.389 4.170 0.001 0.000 0.291 2098 I C 0.145 176.262 176.117 0.000 0.000 1.010 2098 I CA -0.229 61.083 61.300 0.019 0.000 1.308 2098 I CB 1.303 39.310 38.000 0.012 0.000 1.400 2098 I HN 0.596 nan 8.210 nan 0.000 0.488 2099 Q N 6.375 126.161 119.800 -0.023 0.000 2.241 2099 Q HA 0.418 4.759 4.340 0.001 0.000 0.254 2099 Q C -1.127 174.809 176.000 -0.107 0.000 0.917 2099 Q CA -0.732 55.036 55.803 -0.057 0.000 0.919 2099 Q CB 1.439 30.148 28.738 -0.048 0.000 1.237 2099 Q HN 0.472 nan 8.270 nan 0.000 0.434 2100 I N 6.438 126.945 120.570 -0.104 0.000 2.330 2100 I HA 0.342 4.513 4.170 0.001 0.000 0.289 2100 I C -2.191 173.839 176.117 -0.145 0.000 1.001 2100 I CA -2.641 58.591 61.300 -0.114 0.000 1.193 2100 I CB 0.935 38.896 38.000 -0.064 0.000 1.345 2100 I HN 0.515 nan 8.210 nan 0.000 0.461 2101 P HA 0.041 nan 4.420 nan 0.000 0.267 2101 P C 0.639 177.844 177.300 -0.158 0.000 1.200 2101 P CA 0.157 63.149 63.100 -0.180 0.000 0.772 2101 P CB 0.893 32.531 31.700 -0.104 0.000 0.855 2102 A N 2.826 125.481 122.820 -0.276 0.000 1.883 2102 A HA -0.224 4.097 4.320 0.001 0.000 0.217 2102 A C 1.682 179.278 177.584 0.020 0.000 1.186 2102 A CA 1.770 53.660 52.037 -0.245 0.000 0.624 2102 A CB -1.638 17.123 19.000 -0.398 0.000 0.822 2102 A HN 0.507 nan 8.150 nan 0.000 0.444 2103 F N -0.244 119.734 119.950 0.048 0.000 2.333 2103 F HA -0.002 4.525 4.527 0.001 0.000 0.300 2103 F C 1.599 177.516 175.800 0.195 0.000 1.083 2103 F CA 0.429 58.555 58.000 0.209 0.000 1.395 2103 F CB -0.591 38.481 39.000 0.120 0.000 1.056 2103 F HN 0.113 nan 8.300 nan 0.000 0.529 2104 L N -0.557 120.827 121.223 0.267 0.000 2.769 2104 L HA 0.098 4.438 4.340 0.001 0.000 0.240 2104 L C 1.933 178.873 176.870 0.118 0.000 1.163 2104 L CA -0.033 54.906 54.840 0.165 0.000 0.962 2104 L CB -0.702 41.414 42.059 0.096 0.000 1.258 2104 L HN 0.221 nan 8.230 nan 0.000 0.513 2105 C N -1.296 118.082 119.300 0.130 0.000 2.430 2105 C HA -0.015 4.446 4.460 0.001 0.000 0.288 2105 C C 2.144 177.188 174.990 0.090 0.000 1.448 2105 C CA 0.023 59.080 59.018 0.065 0.000 1.784 2105 C CB -0.958 26.778 27.740 -0.007 0.000 1.776 2105 C HN 0.474 nan 8.230 nan 0.000 0.547 2106 R N -0.102 120.484 120.500 0.143 0.000 2.437 2106 R HA 0.149 4.490 4.340 0.001 0.000 0.257 2106 R C 0.080 176.411 176.300 0.053 0.000 0.927 2106 R CA -0.020 56.139 56.100 0.098 0.000 1.078 2106 R CB 0.009 30.383 30.300 0.124 0.000 1.161 2106 R HN 0.561 nan 8.270 nan 0.000 0.529 2107 Q N 1.280 121.113 119.800 0.055 0.000 2.452 2107 Q HA 0.080 4.421 4.340 0.001 0.000 0.230 2107 Q C 0.788 176.806 176.000 0.029 0.000 1.180 2107 Q CA 0.241 56.067 55.803 0.038 0.000 0.914 2107 Q CB 0.959 29.724 28.738 0.046 0.000 1.408 2107 Q HN 0.067 nan 8.270 nan 0.000 0.520 2108 T N 1.395 115.961 114.554 0.019 0.000 2.620 2108 T HA -0.204 4.147 4.350 0.001 0.000 0.267 2108 T C 0.917 175.637 174.700 0.033 0.000 1.044 2108 T CA 1.880 63.990 62.100 0.017 0.000 1.161 2108 T CB 0.063 68.931 68.868 -0.001 0.000 0.862 2108 T HN 0.482 nan 8.240 nan 0.000 0.438 2109 D N 0.558 120.980 120.400 0.036 0.000 2.178 2109 D HA -0.014 4.627 4.640 0.001 0.000 0.201 2109 D C 2.006 178.332 176.300 0.043 0.000 0.980 2109 D CA 0.452 54.480 54.000 0.047 0.000 0.842 2109 D CB -0.368 40.463 40.800 0.052 0.000 0.948 2109 D HN 0.201 nan 8.370 nan 0.000 0.472 2110 L N 0.468 121.711 121.223 0.033 0.000 2.072 2110 L HA -0.053 4.288 4.340 0.001 0.000 0.205 2110 L C 2.168 179.046 176.870 0.013 0.000 1.079 2110 L CA 1.199 56.048 54.840 0.015 0.000 0.752 2110 L CB -0.427 41.636 42.059 0.007 0.000 0.906 2110 L HN -0.027 nan 8.230 nan 0.000 0.436 2111 L N -1.402 119.834 121.223 0.022 0.000 2.017 2111 L HA -0.233 4.108 4.340 0.001 0.000 0.208 2111 L C 2.465 179.360 176.870 0.042 0.000 1.073 2111 L CA 1.277 56.133 54.840 0.027 0.000 0.745 2111 L CB -0.603 41.474 42.059 0.030 0.000 0.894 2111 L HN 0.260 nan 8.230 nan 0.000 0.432 2112 L N -0.475 120.783 121.223 0.057 0.000 2.046 2112 L HA -0.191 4.149 4.340 0.001 0.000 0.208 2112 L C 2.908 179.810 176.870 0.052 0.000 1.077 2112 L CA 1.136 56.021 54.840 0.076 0.000 0.747 2112 L CB -0.801 41.319 42.059 0.102 0.000 0.896 2112 L HN 0.248 nan 8.230 nan 0.000 0.432 2113 A N 0.160 123.005 122.820 0.043 0.000 1.908 2113 A HA -0.207 4.114 4.320 0.001 0.000 0.218 2113 A C 2.534 180.130 177.584 0.021 0.000 1.181 2113 A CA 1.919 53.976 52.037 0.033 0.000 0.627 2113 A CB -0.715 18.302 19.000 0.028 0.000 0.818 2113 A HN 0.416 nan 8.150 nan 0.000 0.445 2114 A N -0.235 122.594 122.820 0.014 0.000 1.873 2114 A HA 0.189 4.509 4.320 0.001 0.000 0.215 2114 A C 2.524 180.121 177.584 0.021 0.000 1.186 2114 A CA 2.062 54.105 52.037 0.010 0.000 0.616 2114 A CB -1.070 17.933 19.000 0.004 0.000 0.823 2114 A HN 1.098 nan 8.150 nan 0.000 0.442 2115 A N -0.147 122.690 122.820 0.028 0.000 1.940 2115 A HA -0.195 4.125 4.320 0.001 0.000 0.219 2115 A C 2.125 179.720 177.584 0.018 0.000 1.176 2115 A CA 2.023 54.077 52.037 0.028 0.000 0.631 2115 A CB -0.481 18.541 19.000 0.037 0.000 0.814 2115 A HN 0.561 nan 8.150 nan 0.000 0.446 2116 K N -0.039 120.372 120.400 0.019 0.000 2.209 2116 K HA -0.157 4.164 4.320 0.001 0.000 0.204 2116 K C 1.917 178.525 176.600 0.012 0.000 1.048 2116 K CA 1.847 58.141 56.287 0.012 0.000 0.940 2116 K CB -0.348 32.162 32.500 0.018 0.000 0.729 2116 K HN 0.641 nan 8.250 nan 0.000 0.451 2117 T N -3.133 111.431 114.554 0.016 0.000 3.007 2117 T HA 0.026 4.377 4.350 0.001 0.000 0.270 2117 T C 1.486 176.196 174.700 0.017 0.000 1.107 2117 T CA 1.128 63.237 62.100 0.016 0.000 1.118 2117 T CB -0.292 68.586 68.868 0.016 0.000 0.889 2117 T HN 0.447 nan 8.240 nan 0.000 0.506 2118 G N 1.245 110.054 108.800 0.016 0.000 2.199 2118 G HA2 -0.243 3.717 3.960 0.001 0.000 0.254 2118 G HA3 -0.243 3.717 3.960 0.001 0.000 0.254 2118 G C 0.374 175.290 174.900 0.027 0.000 0.982 2118 G CA -0.003 45.107 45.100 0.017 0.000 0.632 2118 G HN 0.635 nan 8.290 nan 0.000 0.529 2119 R N 0.765 121.284 120.500 0.032 0.000 2.649 2119 R HA 0.700 5.041 4.340 0.001 0.000 0.270 2119 R C 0.914 177.250 176.300 0.059 0.000 1.105 2119 R CA 0.253 56.379 56.100 0.044 0.000 1.193 2119 R CB -0.011 30.313 30.300 0.041 0.000 1.120 2119 R HN 0.707 nan 8.270 nan 0.000 0.561 2120 A N 0.699 123.571 122.820 0.087 0.000 2.386 2120 A HA 0.414 4.734 4.320 0.001 0.000 0.248 2120 A C -0.342 177.319 177.584 0.129 0.000 1.082 2120 A CA -0.375 51.743 52.037 0.135 0.000 0.789 2120 A CB 0.596 19.735 19.000 0.231 0.000 1.025 2120 A HN 0.326 nan 8.150 nan 0.000 0.490 2121 V N 2.480 122.486 119.914 0.154 0.000 2.531 2121 V HA 0.342 4.463 4.120 0.001 0.000 0.301 2121 V C -0.088 176.114 176.094 0.180 0.000 1.034 2121 V CA -0.729 61.642 62.300 0.118 0.000 0.865 2121 V CB 1.619 33.483 31.823 0.068 0.000 0.995 2121 V HN 0.973 nan 8.190 nan 0.000 0.424 2122 N N 3.532 122.302 118.700 0.116 0.000 2.446 2122 N HA 0.550 5.291 4.740 0.001 0.000 0.265 2122 N C -1.327 174.188 175.510 0.009 0.000 0.975 2122 N CA -0.404 52.706 53.050 0.099 0.000 0.928 2122 N CB 1.770 40.254 38.487 -0.006 0.000 1.160 2122 N HN 0.446 nan 8.380 nan 0.000 0.495 2123 V N 4.002 123.921 119.914 0.009 0.000 2.370 2123 V HA 0.246 4.367 4.120 0.001 0.000 0.279 2123 V C 0.201 176.232 176.094 -0.105 0.000 1.029 2123 V CA -0.784 61.488 62.300 -0.047 0.000 0.870 2123 V CB 1.131 32.940 31.823 -0.023 0.000 0.984 2123 V HN 0.586 nan 8.190 nan 0.000 0.451 2124 K N 3.919 124.216 120.400 -0.173 0.000 2.379 2124 K HA 0.143 4.464 4.320 0.001 0.000 0.284 2124 K C 0.121 176.587 176.600 -0.225 0.000 1.044 2124 K CA -0.102 56.033 56.287 -0.253 0.000 0.974 2124 K CB 0.585 32.880 32.500 -0.342 0.000 0.962 2124 K HN 0.617 nan 8.250 nan 0.000 0.474 2125 K N 1.847 122.112 120.400 -0.226 0.000 2.378 2125 K HA 0.081 4.402 4.320 0.001 0.000 0.288 2125 K C 0.324 176.713 176.600 -0.352 0.000 1.057 2125 K CA -0.112 56.031 56.287 -0.241 0.000 0.971 2125 K CB 0.369 32.748 32.500 -0.201 0.000 0.975 2125 K HN 0.694 nan 8.250 nan 0.000 0.475 2126 G N 3.234 111.735 108.800 -0.499 0.000 2.474 2126 G HA2 -0.110 3.851 3.960 0.001 0.000 0.233 2126 G HA3 -0.110 3.851 3.960 0.001 0.000 0.233 2126 G C 0.185 174.604 174.900 -0.801 0.000 1.278 2126 G CA -0.384 44.177 45.100 -0.899 0.000 0.861 2126 G HN 0.810 nan 8.290 nan 0.000 0.567 2127 Q N 0.653 120.141 119.800 -0.519 0.000 2.437 2127 Q HA -0.025 4.315 4.340 0.001 0.000 0.210 2127 Q C 1.633 177.548 176.000 -0.141 0.000 0.972 2127 Q CA 1.268 56.949 55.803 -0.204 0.000 0.903 2127 Q CB -0.148 28.615 28.738 0.042 0.000 0.967 2127 Q HN 0.820 nan 8.270 nan 0.000 0.486 2128 F N -2.864 117.099 119.950 0.021 0.000 2.695 2128 F HA 0.349 4.877 4.527 0.001 0.000 0.303 2128 F C 0.233 176.013 175.800 -0.033 0.000 1.091 2128 F CA -0.831 57.169 58.000 0.000 0.000 1.300 2128 F CB -0.004 39.000 39.000 0.006 0.000 1.071 2128 F HN -0.132 nan 8.300 nan 0.000 0.578 2129 L N 1.780 122.829 121.223 -0.289 0.000 2.334 2129 L HA 0.708 5.048 4.340 0.001 0.000 0.277 2129 L C 0.280 177.006 176.870 -0.240 0.000 1.075 2129 L CA -1.073 53.654 54.840 -0.188 0.000 0.804 2129 L CB 1.117 42.999 42.059 -0.295 0.000 1.174 2129 L HN 0.226 nan 8.230 nan 0.000 0.438 2130 A N 5.214 127.852 122.820 -0.304 0.000 2.293 2130 A HA 0.606 4.927 4.320 0.001 0.000 0.302 2130 A C -1.873 175.293 177.584 -0.697 0.000 1.119 2130 A CA -1.208 50.446 52.037 -0.637 0.000 0.823 2130 A CB 0.100 18.554 19.000 -0.910 0.000 1.097 2130 A HN 0.718 nan 8.150 nan 0.000 0.491 2131 P HA -0.187 nan 4.420 nan 0.000 0.215 2131 P C 0.972 178.254 177.300 -0.030 0.000 1.157 2131 P CA 2.202 65.094 63.100 -0.346 0.000 0.874 2131 P CB -0.136 31.403 31.700 -0.269 0.000 0.790 2132 W N -0.463 120.979 121.300 0.237 0.000 2.465 2132 W HA -0.006 4.655 4.660 0.001 0.000 0.268 2132 W C 0.972 177.524 176.519 0.055 0.000 1.242 2132 W CA 0.600 58.127 57.345 0.303 0.000 1.248 2132 W CB -1.863 27.728 29.460 0.219 0.000 1.118 2132 W HN -0.111 nan 8.180 nan 0.000 0.587 2133 D N 0.907 121.290 120.400 -0.028 0.000 2.350 2133 D HA -0.135 4.506 4.640 0.001 0.000 0.216 2133 D C 2.141 178.384 176.300 -0.095 0.000 0.968 2133 D CA 2.035 56.020 54.000 -0.026 0.000 0.894 2133 D CB -0.583 40.184 40.800 -0.054 0.000 0.909 2133 D HN 0.399 nan 8.370 nan 0.000 0.520 2134 T N -1.960 112.549 114.554 -0.075 0.000 3.085 2134 T HA -0.041 4.310 4.350 0.001 0.000 0.263 2134 T C 1.709 176.177 174.700 -0.387 0.000 1.127 2134 T CA 0.463 62.511 62.100 -0.088 0.000 1.103 2134 T CB 0.157 69.099 68.868 0.123 0.000 0.921 2134 T HN 0.060 nan 8.240 nan 0.000 0.510 2135 K N 1.588 121.472 120.400 -0.860 0.000 2.063 2135 K HA -0.133 4.188 4.320 0.001 0.000 0.208 2135 K C 2.095 178.340 176.600 -0.593 0.000 1.048 2135 K CA 1.730 57.177 56.287 -1.399 0.000 0.928 2135 K CB -0.351 31.189 32.500 -1.600 0.000 0.713 2135 K HN 0.516 nan 8.250 nan 0.000 0.442 2136 N N -0.241 118.241 118.700 -0.363 0.000 2.223 2136 N HA -0.135 4.606 4.740 0.001 0.000 0.185 2136 N C 1.665 177.089 175.510 -0.144 0.000 1.016 2136 N CA 0.901 53.830 53.050 -0.202 0.000 0.863 2136 N CB 0.130 38.537 38.487 -0.132 0.000 0.983 2136 N HN -0.027 nan 8.380 nan 0.000 0.429 2137 V N 0.665 120.496 119.914 -0.137 0.000 2.295 2137 V HA -0.186 3.935 4.120 0.001 0.000 0.246 2137 V C 2.241 178.302 176.094 -0.054 0.000 1.049 2137 V CA 1.303 63.561 62.300 -0.071 0.000 1.024 2137 V CB -0.430 31.363 31.823 -0.050 0.000 0.648 2137 V HN 0.136 nan 8.190 nan 0.000 0.447 2138 V N 0.108 119.972 119.914 -0.084 0.000 2.295 2138 V HA -0.313 3.807 4.120 0.001 0.000 0.246 2138 V C 2.483 178.566 176.094 -0.017 0.000 1.049 2138 V CA 2.385 64.668 62.300 -0.029 0.000 1.024 2138 V CB -0.652 31.165 31.823 -0.012 0.000 0.648 2138 V HN 0.705 nan 8.190 nan 0.000 0.447 2139 E N 0.308 120.474 120.200 -0.057 0.000 2.118 2139 E HA -0.284 4.067 4.350 0.001 0.000 0.195 2139 E C 2.247 178.871 176.600 0.039 0.000 0.992 2139 E CA 1.551 57.942 56.400 -0.015 0.000 0.804 2139 E CB -0.068 29.596 29.700 -0.061 0.000 0.741 2139 E HN 0.593 nan 8.360 nan 0.000 0.458 2140 K N 0.159 120.565 120.400 0.010 0.000 2.026 2140 K HA -0.133 4.187 4.320 0.001 0.000 0.208 2140 K C 2.326 179.001 176.600 0.125 0.000 1.048 2140 K CA 1.369 57.685 56.287 0.048 0.000 0.929 2140 K CB -0.142 32.362 32.500 0.007 0.000 0.713 2140 K HN 0.219 nan 8.250 nan 0.000 0.439 2141 L N 1.094 122.362 121.223 0.076 0.000 2.046 2141 L HA -0.201 4.140 4.340 0.001 0.000 0.208 2141 L C 2.348 179.265 176.870 0.079 0.000 1.077 2141 L CA 1.379 56.262 54.840 0.072 0.000 0.747 2141 L CB -0.351 41.735 42.059 0.045 0.000 0.896 2141 L HN 0.141 nan 8.230 nan 0.000 0.432 2142 K N -0.475 119.972 120.400 0.079 0.000 2.057 2142 K HA -0.218 4.103 4.320 0.001 0.000 0.207 2142 K C 2.081 178.731 176.600 0.083 0.000 1.049 2142 K CA 1.569 57.896 56.287 0.066 0.000 0.931 2142 K CB -0.298 32.239 32.500 0.063 0.000 0.714 2142 K HN 0.113 nan 8.250 nan 0.000 0.440 2143 F N 1.154 121.101 119.950 -0.005 0.000 2.216 2143 F HA -0.094 4.434 4.527 0.001 0.000 0.300 2143 F C 1.799 177.599 175.800 0.001 0.000 1.085 2143 F CA 1.539 59.537 58.000 -0.003 0.000 1.326 2143 F CB -0.243 38.753 39.000 -0.007 0.000 1.027 2143 F HN -0.034 nan 8.300 nan 0.000 0.497 2144 G N -1.143 107.713 108.800 0.092 0.000 2.920 2144 G HA2 0.299 4.260 3.960 0.001 0.000 0.208 2144 G HA3 0.299 4.260 3.960 0.001 0.000 0.208 2144 G C 1.300 176.174 174.900 -0.044 0.000 1.159 2144 G CA 0.312 45.419 45.100 0.013 0.000 0.784 2144 G HN 0.933 nan 8.290 nan 0.000 0.535 2145 G N -1.364 107.401 108.800 -0.058 0.000 2.176 2145 G HA2 0.107 4.067 3.960 0.001 0.000 0.232 2145 G HA3 0.107 4.067 3.960 0.001 0.000 0.232 2145 G C 0.559 175.451 174.900 -0.013 0.000 0.986 2145 G CA 0.147 45.218 45.100 -0.047 0.000 0.643 2145 G HN 1.320 nan 8.290 nan 0.000 0.522 2146 A N -0.069 122.754 122.820 0.006 0.000 2.440 2146 A HA 0.688 5.008 4.320 0.001 0.000 0.251 2146 A C 1.138 178.726 177.584 0.006 0.000 1.089 2146 A CA 1.129 53.174 52.037 0.014 0.000 0.779 2146 A CB 0.380 19.395 19.000 0.026 0.000 1.022 2146 A HN 0.394 nan 8.150 nan 0.000 0.492 2147 K N 0.622 121.024 120.400 0.003 0.000 2.474 2147 K HA 0.116 4.437 4.320 0.001 0.000 0.202 2147 K C 0.122 176.704 176.600 -0.030 0.000 1.248 2147 K CA 0.199 56.481 56.287 -0.008 0.000 0.946 2147 K CB 0.775 33.273 32.500 -0.003 0.000 1.102 2147 K HN 0.799 nan 8.250 nan 0.000 0.541 2148 E N 2.103 122.287 120.200 -0.026 0.000 2.063 2148 E HA 0.303 4.654 4.350 0.001 0.000 0.265 2148 E C -1.252 175.283 176.600 -0.109 0.000 0.919 2148 E CA -0.241 56.108 56.400 -0.085 0.000 0.756 2148 E CB 0.568 30.275 29.700 0.012 0.000 1.120 2148 E HN 0.089 nan 8.360 nan 0.000 0.414 2149 I N 4.443 124.874 120.570 -0.231 0.000 2.465 2149 I HA 0.337 4.508 4.170 0.001 0.000 0.291 2149 I C -1.051 174.887 176.117 -0.297 0.000 1.014 2149 I CA -0.864 60.350 61.300 -0.143 0.000 1.093 2149 I CB 1.109 39.084 38.000 -0.042 0.000 1.267 2149 I HN 0.459 nan 8.210 nan 0.000 0.431 2150 Y N 5.667 125.975 120.300 0.013 0.000 2.485 2150 Y HA 0.671 5.222 4.550 0.001 0.000 0.345 2150 Y C -0.435 175.462 175.900 -0.005 0.000 0.998 2150 Y CA -0.850 57.251 58.100 0.000 0.000 1.059 2150 Y CB 1.851 40.300 38.460 -0.018 0.000 1.234 2150 Y HN 0.279 nan 8.280 nan 0.000 0.461 2151 L N 2.324 123.637 121.223 0.151 0.000 2.362 2151 L HA 0.585 4.925 4.340 0.001 0.000 0.275 2151 L C -0.720 176.164 176.870 0.023 0.000 0.998 2151 L CA -0.558 54.324 54.840 0.069 0.000 0.820 2151 L CB 2.157 44.268 42.059 0.086 0.000 1.270 2151 L HN 0.647 nan 8.230 nan 0.000 0.415 2152 T N 1.222 115.742 114.554 -0.057 0.000 2.779 2152 T HA 0.231 4.582 4.350 0.001 0.000 0.280 2152 T C -0.379 174.225 174.700 -0.160 0.000 0.987 2152 T CA -0.445 61.580 62.100 -0.124 0.000 0.966 2152 T CB 1.584 70.306 68.868 -0.243 0.000 0.933 2152 T HN 0.404 nan 8.240 nan 0.000 0.442 2153 E N 2.708 122.839 120.200 -0.114 0.000 2.223 2153 E HA 0.280 4.631 4.350 0.001 0.000 0.282 2153 E C 0.436 176.914 176.600 -0.205 0.000 1.046 2153 E CA -0.519 55.812 56.400 -0.114 0.000 0.857 2153 E CB 0.430 30.132 29.700 0.004 0.000 1.055 2153 E HN 0.616 nan 8.360 nan 0.000 0.409 2154 R N 3.057 123.421 120.500 -0.227 0.000 2.615 2154 R HA 0.502 4.843 4.340 0.001 0.000 0.448 2154 R C 0.123 176.323 176.300 -0.168 0.000 1.009 2154 R CA -0.213 55.739 56.100 -0.247 0.000 1.111 2154 R CB 0.103 30.209 30.300 -0.323 0.000 1.461 2154 R HN 0.639 nan 8.270 nan 0.000 0.587 2155 G N 0.010 108.722 108.800 -0.148 0.000 2.663 2155 G HA2 -0.031 3.930 3.960 0.001 0.000 0.686 2155 G HA3 -0.031 3.930 3.960 0.001 0.000 0.686 2155 G C -0.870 173.960 174.900 -0.115 0.000 1.246 2155 G CA -0.461 44.570 45.100 -0.115 0.000 0.795 2155 G HN 0.182 nan 8.290 nan 0.000 0.627 2156 T N 1.031 115.536 114.554 -0.081 0.000 2.876 2156 T HA 0.652 5.003 4.350 0.001 0.000 0.289 2156 T C 0.459 175.182 174.700 0.038 0.000 1.014 2156 T CA -0.035 62.032 62.100 -0.054 0.000 0.986 2156 T CB 1.679 70.501 68.868 -0.077 0.000 1.021 2156 T HN 0.891 nan 8.240 nan 0.000 0.458 2157 T N 3.022 117.616 114.554 0.067 0.000 2.866 2157 T HA 0.139 4.490 4.350 0.001 0.000 0.293 2157 T C -0.693 174.109 174.700 0.170 0.000 1.005 2157 T CA 0.534 62.704 62.100 0.116 0.000 1.162 2157 T CB -0.440 68.496 68.868 0.113 0.000 0.968 2157 T HN 0.432 nan 8.240 nan 0.000 0.530 2158 F N 3.924 123.864 119.950 -0.016 0.000 2.691 2158 F HA 0.522 5.050 4.527 0.001 0.000 0.371 2158 F C 0.666 176.431 175.800 -0.058 0.000 1.159 2158 F CA 0.119 58.096 58.000 -0.039 0.000 1.174 2158 F CB -0.103 38.877 39.000 -0.034 0.000 1.419 2158 F HN 0.938 nan 8.300 nan 0.000 0.514 2159 G N 2.759 111.315 108.800 -0.407 0.000 2.642 2159 G HA2 -0.282 3.679 3.960 0.001 0.000 0.231 2159 G HA3 -0.282 3.679 3.960 0.001 0.000 0.231 2159 G C -1.369 173.359 174.900 -0.288 0.000 1.338 2159 G CA -0.416 44.380 45.100 -0.507 0.000 0.883 2159 G HN 0.496 nan 8.290 nan 0.000 0.570 2160 Y N 1.668 121.928 120.300 -0.067 0.000 2.308 2160 Y HA 0.466 5.016 4.550 0.001 0.000 0.329 2160 Y C 1.468 177.376 175.900 0.014 0.000 1.111 2160 Y CA -0.498 57.592 58.100 -0.016 0.000 1.179 2160 Y CB 0.943 39.392 38.460 -0.018 0.000 1.201 2160 Y HN 0.647 nan 8.280 nan 0.000 0.483 2161 N N 1.828 120.659 118.700 0.218 0.000 2.721 2161 N HA -0.321 4.420 4.740 0.001 0.000 0.249 2161 N C -0.773 174.818 175.510 0.135 0.000 1.072 2161 N CA 1.024 54.163 53.050 0.149 0.000 0.710 2161 N CB -1.109 37.451 38.487 0.121 0.000 0.993 2161 N HN 0.896 nan 8.380 nan 0.000 0.547 2162 N N -0.433 118.353 118.700 0.144 0.000 2.598 2162 N HA 0.565 5.306 4.740 0.001 0.000 0.263 2162 N C -1.538 174.075 175.510 0.172 0.000 1.254 2162 N CA -0.552 52.591 53.050 0.156 0.000 0.863 2162 N CB 1.598 40.199 38.487 0.189 0.000 1.586 2162 N HN -0.016 nan 8.380 nan 0.000 0.491 2163 L N 1.905 123.210 121.223 0.137 0.000 2.370 2163 L HA 0.690 5.030 4.340 0.001 0.000 0.266 2163 L C -0.831 176.051 176.870 0.021 0.000 1.002 2163 L CA -0.998 53.898 54.840 0.094 0.000 0.818 2163 L CB 2.103 44.191 42.059 0.048 0.000 1.325 2163 L HN 0.281 nan 8.230 nan 0.000 0.418 2164 V N 2.762 122.644 119.914 -0.054 0.000 2.823 2164 V HA 0.559 4.680 4.120 0.001 0.000 0.312 2164 V C -0.799 175.183 176.094 -0.186 0.000 1.072 2164 V CA -0.492 61.680 62.300 -0.213 0.000 0.937 2164 V CB 2.550 34.065 31.823 -0.513 0.000 1.013 2164 V HN 0.412 nan 8.190 nan 0.000 0.430 2165 V N 5.200 124.988 119.914 -0.210 0.000 2.333 2165 V HA 0.377 4.498 4.120 0.001 0.000 0.274 2165 V C -0.299 175.573 176.094 -0.371 0.000 1.028 2165 V CA -0.454 61.648 62.300 -0.330 0.000 0.851 2165 V CB 1.378 32.924 31.823 -0.462 0.000 1.000 2165 V HN 0.912 nan 8.190 nan 0.000 0.456 2166 D N 4.037 124.248 120.400 -0.314 0.000 2.441 2166 D HA 0.253 4.893 4.640 0.001 0.000 0.221 2166 D C 0.673 176.843 176.300 -0.217 0.000 1.156 2166 D CA -0.386 53.502 54.000 -0.187 0.000 0.896 2166 D CB 0.602 41.321 40.800 -0.135 0.000 1.028 2166 D HN 0.396 nan 8.370 nan 0.000 0.509 2167 F N 1.946 121.847 119.950 -0.080 0.000 2.583 2167 F HA 0.003 4.530 4.527 0.001 0.000 0.297 2167 F C 2.250 178.011 175.800 -0.065 0.000 1.131 2167 F CA 0.419 58.367 58.000 -0.087 0.000 1.467 2167 F CB 0.028 38.960 39.000 -0.113 0.000 1.097 2167 F HN 0.282 nan 8.300 nan 0.000 0.586 2168 R N -0.176 120.369 120.500 0.075 0.000 2.189 2168 R HA -0.134 4.207 4.340 0.001 0.000 0.223 2168 R C 2.491 178.803 176.300 0.020 0.000 1.092 2168 R CA 1.290 57.424 56.100 0.057 0.000 0.989 2168 R CB -0.504 29.838 30.300 0.071 0.000 0.876 2168 R HN 0.362 nan 8.270 nan 0.000 0.457 2169 S N 0.724 116.403 115.700 -0.035 0.000 2.382 2169 S HA -0.133 4.338 4.470 0.001 0.000 0.228 2169 S C 1.870 176.438 174.600 -0.054 0.000 1.027 2169 S CA 0.805 58.965 58.200 -0.066 0.000 0.991 2169 S CB -0.223 62.903 63.200 -0.123 0.000 0.823 2169 S HN 0.058 nan 8.310 nan 0.000 0.469 2170 L N 2.892 124.093 121.223 -0.037 0.000 1.971 2170 L HA 0.002 4.342 4.340 0.001 0.000 0.215 2170 L C -0.323 176.499 176.870 -0.079 0.000 1.072 2170 L CA 2.075 56.892 54.840 -0.038 0.000 0.758 2170 L CB -1.719 40.341 42.059 0.002 0.000 0.889 2170 L HN 0.284 nan 8.230 nan 0.000 0.433 2171 P HA -0.144 nan 4.420 nan 0.000 0.218 2171 P C 2.041 179.248 177.300 -0.155 0.000 1.149 2171 P CA 1.568 64.611 63.100 -0.095 0.000 0.817 2171 P CB 0.094 31.765 31.700 -0.048 0.000 0.785 2172 I N -0.680 119.815 120.570 -0.126 0.000 2.163 2172 I HA -0.184 3.986 4.170 0.001 0.000 0.240 2172 I C 2.756 178.582 176.117 -0.485 0.000 1.081 2172 I CA 1.478 62.666 61.300 -0.185 0.000 1.353 2172 I CB -0.632 37.394 38.000 0.043 0.000 1.054 2172 I HN -0.169 nan 8.210 nan 0.000 0.407 2173 M N 0.213 119.633 119.600 -0.301 0.000 2.296 2173 M HA -0.175 4.306 4.480 0.001 0.000 0.265 2173 M C 2.155 178.129 176.300 -0.543 0.000 1.064 2173 M CA 1.235 56.326 55.300 -0.348 0.000 1.109 2173 M CB -0.388 32.191 32.600 -0.034 0.000 1.396 2173 M HN 0.015 nan 8.290 nan 0.000 0.430 2174 K N 1.137 121.307 120.400 -0.384 0.000 2.280 2174 K HA -0.144 4.177 4.320 0.001 0.000 0.202 2174 K C 1.665 178.044 176.600 -0.368 0.000 1.047 2174 K CA 1.431 57.546 56.287 -0.287 0.000 0.942 2174 K CB -0.156 32.230 32.500 -0.190 0.000 0.739 2174 K HN 0.434 nan 8.250 nan 0.000 0.457 2175 Q N -1.189 118.225 119.800 -0.644 0.000 2.226 2175 Q HA -0.134 4.207 4.340 0.001 0.000 0.204 2175 Q C 0.624 176.451 176.000 -0.290 0.000 0.975 2175 Q CA 1.649 57.129 55.803 -0.539 0.000 0.866 2175 Q CB -0.084 28.190 28.738 -0.773 0.000 0.915 2175 Q HN 0.656 nan 8.270 nan 0.000 0.440 2176 W N -2.196 119.108 121.300 0.006 0.000 2.324 2176 W HA 0.718 5.379 4.660 0.001 0.000 0.316 2176 W C -0.158 176.346 176.519 -0.024 0.000 0.927 2176 W CA -0.257 57.086 57.345 -0.003 0.000 1.438 2176 W CB 0.271 29.737 29.460 0.009 0.000 1.085 2176 W HN -0.084 nan 8.180 nan 0.000 0.532 2177 A N 0.635 123.498 122.820 0.072 0.000 2.566 2177 A HA 0.559 4.880 4.320 0.001 0.000 0.290 2177 A C -1.072 176.483 177.584 -0.048 0.000 1.071 2177 A CA -1.243 50.815 52.037 0.034 0.000 0.658 2177 A CB 0.852 19.925 19.000 0.123 0.000 1.285 2177 A HN 0.027 nan 8.150 nan 0.000 0.427 2178 K N 0.454 120.789 120.400 -0.108 0.000 2.326 2178 K HA 0.487 4.808 4.320 0.001 0.000 0.275 2178 K C -0.768 175.859 176.600 0.045 0.000 1.018 2178 K CA -0.174 56.073 56.287 -0.067 0.000 0.962 2178 K CB 1.117 33.512 32.500 -0.176 0.000 0.953 2178 K HN 0.388 nan 8.250 nan 0.000 0.475 2179 V N 4.853 124.795 119.914 0.047 0.000 2.435 2179 V HA 0.345 4.465 4.120 0.001 0.000 0.290 2179 V C -0.103 176.032 176.094 0.069 0.000 1.030 2179 V CA -0.884 61.448 62.300 0.053 0.000 0.881 2179 V CB 1.309 33.133 31.823 0.002 0.000 0.983 2179 V HN 0.578 nan 8.190 nan 0.000 0.445 2180 I N 4.208 124.816 120.570 0.063 0.000 2.530 2180 I HA 0.387 4.558 4.170 0.001 0.000 0.297 2180 I C -0.834 175.325 176.117 0.070 0.000 1.011 2180 I CA -0.832 60.488 61.300 0.033 0.000 1.107 2180 I CB 1.792 39.779 38.000 -0.022 0.000 1.285 2180 I HN 0.694 nan 8.210 nan 0.000 0.436 2181 Y N 4.867 125.166 120.300 -0.003 0.000 2.342 2181 Y HA 0.323 4.874 4.550 0.001 0.000 0.338 2181 Y C -0.039 175.890 175.900 0.049 0.000 0.965 2181 Y CA -0.854 57.254 58.100 0.012 0.000 1.159 2181 Y CB 0.815 39.325 38.460 0.082 0.000 1.157 2181 Y HN 0.504 nan 8.280 nan 0.000 0.486 2182 D N 5.199 125.193 120.400 -0.677 0.000 2.374 2182 D HA 0.219 4.859 4.640 0.001 0.000 0.240 2182 D C 0.597 176.407 176.300 -0.817 0.000 1.229 2182 D CA 0.389 54.081 54.000 -0.513 0.000 0.895 2182 D CB 1.295 41.783 40.800 -0.519 0.000 1.046 2182 D HN 0.808 nan 8.370 nan 0.000 0.498 2183 A N 2.943 125.479 122.820 -0.473 0.000 2.067 2183 A HA -0.086 4.235 4.320 0.001 0.000 0.217 2183 A C 1.905 179.467 177.584 -0.036 0.000 1.156 2183 A CA 1.603 53.509 52.037 -0.217 0.000 0.683 2183 A CB -0.193 18.892 19.000 0.140 0.000 0.808 2183 A HN 0.617 nan 8.150 nan 0.000 0.455 2184 T N -4.131 110.402 114.554 -0.034 0.000 3.033 2184 T HA 0.041 4.392 4.350 0.001 0.000 0.248 2184 T C 1.619 176.236 174.700 -0.138 0.000 1.040 2184 T CA 1.157 63.213 62.100 -0.073 0.000 1.133 2184 T CB -0.507 68.287 68.868 -0.122 0.000 0.895 2184 T HN 0.548 nan 8.240 nan 0.000 0.465 2185 H N 1.214 120.255 119.070 -0.049 0.000 2.502 2185 H HA 0.313 4.869 4.556 0.001 0.000 0.283 2185 H C 2.371 177.644 175.328 -0.090 0.000 1.015 2185 H CA 0.997 56.994 56.048 -0.084 0.000 1.298 2185 H CB 0.043 29.704 29.762 -0.169 0.000 1.411 2185 H HN 0.289 nan 8.280 nan 0.000 0.556 2186 S N 0.170 115.860 115.700 -0.016 0.000 2.474 2186 S HA -0.093 4.378 4.470 0.001 0.000 0.235 2186 S C 1.927 176.557 174.600 0.050 0.000 0.997 2186 S CA 1.117 59.309 58.200 -0.013 0.000 0.949 2186 S CB -0.032 63.153 63.200 -0.025 0.000 0.766 2186 S HN 0.462 nan 8.310 nan 0.000 0.517 2187 V N 0.170 120.131 119.914 0.078 0.000 3.578 2187 V HA 0.232 4.353 4.120 0.001 0.000 0.290 2187 V C 0.418 176.578 176.094 0.109 0.000 1.376 2187 V CA -0.539 61.834 62.300 0.123 0.000 1.083 2187 V CB -0.870 31.072 31.823 0.198 0.000 0.911 2187 V HN 0.491 nan 8.190 nan 0.000 0.433 2188 Q N 1.308 121.154 119.800 0.077 0.000 2.354 2188 Q HA 0.577 4.917 4.340 0.001 0.000 0.244 2188 Q C -0.686 175.368 176.000 0.089 0.000 0.969 2188 Q CA -0.496 55.353 55.803 0.076 0.000 0.885 2188 Q CB 1.396 30.176 28.738 0.070 0.000 1.241 2188 Q HN 0.504 nan 8.270 nan 0.000 0.461 2189 L N 2.664 123.942 121.223 0.091 0.000 2.297 2189 L HA 0.416 4.757 4.340 0.001 0.000 0.277 2189 L C -2.214 174.714 176.870 0.096 0.000 1.040 2189 L CA -2.325 52.574 54.840 0.098 0.000 0.867 2189 L CB 0.971 43.089 42.059 0.098 0.000 1.244 2189 L HN 0.510 nan 8.230 nan 0.000 0.433 2190 P HA 0.098 nan 4.420 nan 0.000 0.261 2190 P C 0.558 177.919 177.300 0.102 0.000 1.173 2190 P CA 0.702 63.874 63.100 0.119 0.000 0.760 2190 P CB 0.624 32.413 31.700 0.148 0.000 0.783 2201 R N 1.930 122.439 120.500 0.015 0.000 2.133 2201 R HA -0.193 4.147 4.340 0.001 0.000 0.247 2201 R C 1.648 177.919 176.300 -0.048 0.000 1.151 2201 R CA 2.621 58.717 56.100 -0.006 0.000 0.971 2201 R CB -0.273 30.012 30.300 -0.024 0.000 0.866 2201 R HN 0.614 nan 8.270 nan 0.000 0.447 2202 E N -0.700 119.376 120.200 -0.207 0.000 2.401 2202 E HA -0.199 4.152 4.350 0.001 0.000 0.199 2202 E C 0.976 177.386 176.600 -0.317 0.000 1.023 2202 E CA 1.038 57.244 56.400 -0.322 0.000 0.859 2202 E CB -0.212 29.167 29.700 -0.535 0.000 0.780 2202 E HN 0.521 nan 8.360 nan 0.000 0.523 2203 F N 0.389 120.393 119.950 0.090 0.000 2.695 2203 F HA 0.303 4.831 4.527 0.001 0.000 0.303 2203 F C 1.859 177.749 175.800 0.151 0.000 1.091 2203 F CA -0.496 57.567 58.000 0.105 0.000 1.300 2203 F CB 0.156 39.211 39.000 0.091 0.000 1.071 2203 F HN -0.089 nan 8.300 nan 0.000 0.578 2204 I N -0.273 120.465 120.570 0.279 0.000 2.127 2204 I HA -0.325 3.845 4.170 0.001 0.000 0.241 2204 I C 2.476 178.804 176.117 0.352 0.000 1.075 2204 I CA 1.361 62.822 61.300 0.268 0.000 1.334 2204 I CB -0.424 37.672 38.000 0.160 0.000 1.040 2204 I HN 0.114 nan 8.210 nan 0.000 0.405 2205 F N 2.282 122.304 119.950 0.120 0.000 2.102 2205 F HA -0.055 4.472 4.527 0.001 0.000 0.298 2205 F C -0.451 175.410 175.800 0.102 0.000 1.105 2205 F CA 0.978 59.037 58.000 0.098 0.000 1.239 2205 F CB -2.148 36.885 39.000 0.055 0.000 0.991 2205 F HN -0.024 nan 8.300 nan 0.000 0.474 2206 P HA -0.183 nan 4.420 nan 0.000 0.215 2206 P C 2.214 179.552 177.300 0.063 0.000 1.157 2206 P CA 1.794 64.909 63.100 0.026 0.000 0.874 2206 P CB -0.124 31.644 31.700 0.112 0.000 0.790 2207 L N -1.557 119.784 121.223 0.198 0.000 2.217 2207 L HA -0.077 4.264 4.340 0.001 0.000 0.211 2207 L C 2.429 179.397 176.870 0.163 0.000 1.107 2207 L CA 0.995 55.967 54.840 0.220 0.000 0.783 2207 L CB -0.630 41.672 42.059 0.404 0.000 0.919 2207 L HN -0.026 nan 8.230 nan 0.000 0.442 2208 I N -0.127 120.626 120.570 0.306 0.000 2.439 2208 I HA -0.239 3.931 4.170 0.001 0.000 0.251 2208 I C 2.758 178.964 176.117 0.148 0.000 1.139 2208 I CA 0.963 62.458 61.300 0.325 0.000 1.438 2208 I CB -0.022 38.239 38.000 0.434 0.000 1.085 2208 I HN 0.220 nan 8.210 nan 0.000 0.427 2209 R N 0.552 121.106 120.500 0.090 0.000 2.092 2209 R HA -0.122 4.219 4.340 0.001 0.000 0.231 2209 R C 2.333 178.558 176.300 -0.124 0.000 1.119 2209 R CA 1.388 57.474 56.100 -0.023 0.000 0.970 2209 R CB -0.443 29.768 30.300 -0.147 0.000 0.864 2209 R HN 0.404 nan 8.270 nan 0.000 0.440 2210 A N 1.413 124.087 122.820 -0.243 0.000 1.902 2210 A HA -0.092 4.229 4.320 0.001 0.000 0.217 2210 A C 2.401 179.691 177.584 -0.490 0.000 1.181 2210 A CA 1.592 53.327 52.037 -0.504 0.000 0.623 2210 A CB -0.571 17.870 19.000 -0.932 0.000 0.818 2210 A HN 0.379 nan 8.150 nan 0.000 0.443 2211 A N 0.021 122.650 122.820 -0.318 0.000 1.883 2211 A HA -0.075 4.246 4.320 0.001 0.000 0.217 2211 A C 2.314 179.883 177.584 -0.025 0.000 1.186 2211 A CA 2.485 54.451 52.037 -0.117 0.000 0.624 2211 A CB -1.267 17.566 19.000 -0.277 0.000 0.822 2211 A HN 1.159 nan 8.150 nan 0.000 0.444 2212 V N -2.831 117.095 119.914 0.019 0.000 2.719 2212 V HA 0.115 4.235 4.120 0.001 0.000 0.252 2212 V C 2.465 178.628 176.094 0.115 0.000 1.065 2212 V CA 1.499 63.848 62.300 0.080 0.000 1.086 2212 V CB -1.284 30.572 31.823 0.054 0.000 0.700 2212 V HN 0.498 nan 8.190 nan 0.000 0.467 2213 A N 0.548 123.383 122.820 0.024 0.000 1.930 2213 A HA -0.026 4.295 4.320 0.001 0.000 0.217 2213 A C 2.340 179.991 177.584 0.111 0.000 1.175 2213 A CA 2.027 54.097 52.037 0.055 0.000 0.627 2213 A CB -0.697 18.261 19.000 -0.070 0.000 0.815 2213 A HN 0.424 nan 8.150 nan 0.000 0.443 2214 V N -0.923 118.976 119.914 -0.025 0.000 2.323 2214 V HA 0.275 4.395 4.120 0.001 0.000 0.244 2214 V C 1.326 177.332 176.094 -0.148 0.000 1.041 2214 V CA 1.389 63.665 62.300 -0.040 0.000 1.025 2214 V CB -1.154 30.636 31.823 -0.056 0.000 0.656 2214 V HN 1.249 nan 8.190 nan 0.000 0.451 2215 G N -0.291 108.327 108.800 -0.305 0.000 3.305 2215 G HA2 0.117 4.078 3.960 0.001 0.000 0.649 2215 G HA3 0.117 4.078 3.960 0.001 0.000 0.649 2215 G C -0.781 173.887 174.900 -0.386 0.000 1.255 2215 G CA -0.641 43.935 45.100 -0.872 0.000 1.137 2215 G HN 1.017 nan 8.290 nan 0.000 0.535 2216 C N 0.413 119.603 119.300 -0.183 0.000 3.291 2216 C HA 0.862 5.323 4.460 0.001 0.000 0.316 2216 C C 0.586 175.649 174.990 0.121 0.000 1.391 2216 C CA -0.576 58.445 59.018 0.005 0.000 1.394 2216 C CB 1.946 29.749 27.740 0.105 0.000 1.744 2216 C HN 0.644 nan 8.230 nan 0.000 0.461 2217 D N 0.396 120.832 120.400 0.059 0.000 2.350 2217 D HA 0.379 5.020 4.640 0.001 0.000 0.213 2217 D C 0.804 176.939 176.300 -0.274 0.000 1.031 2217 D CA 1.347 55.368 54.000 0.036 0.000 0.861 2217 D CB 0.857 41.693 40.800 0.059 0.000 0.926 2217 D HN 1.086 nan 8.370 nan 0.000 0.520 2218 G N -0.425 108.129 108.800 -0.411 0.000 2.368 2218 G HA2 0.389 4.350 3.960 0.001 0.000 0.293 2218 G HA3 0.389 4.350 3.960 0.001 0.000 0.293 2218 G C -1.828 172.850 174.900 -0.370 0.000 1.467 2218 G CA -0.547 44.021 45.100 -0.886 0.000 0.804 2218 G HN -0.051 nan 8.290 nan 0.000 0.535 2219 V N 0.192 119.912 119.914 -0.324 0.000 2.823 2219 V HA 0.736 4.856 4.120 0.001 0.000 0.312 2219 V C -1.260 174.834 176.094 -0.000 0.000 1.072 2219 V CA -0.726 61.582 62.300 0.013 0.000 0.937 2219 V CB 1.964 33.898 31.823 0.186 0.000 1.013 2219 V HN 0.829 nan 8.190 nan 0.000 0.430 2220 F N 5.006 124.881 119.950 -0.125 0.000 2.444 2220 F HA 0.817 5.345 4.527 0.001 0.000 0.342 2220 F C -0.419 175.311 175.800 -0.117 0.000 1.121 2220 F CA -0.679 57.237 58.000 -0.140 0.000 0.997 2220 F CB 1.449 40.357 39.000 -0.153 0.000 1.130 2220 F HN 0.394 nan 8.300 nan 0.000 0.454 2221 M N 5.875 125.264 119.600 -0.352 0.000 2.224 2221 M HA 0.259 4.739 4.480 0.001 0.000 0.281 2221 M C -1.151 174.928 176.300 -0.367 0.000 1.025 2221 M CA -0.464 54.702 55.300 -0.222 0.000 0.954 2221 M CB 2.393 34.923 32.600 -0.116 0.000 1.639 2221 M HN 0.547 nan 8.290 nan 0.000 0.461 2222 E N 1.697 121.744 120.200 -0.255 0.000 2.289 2222 E HA 0.351 4.702 4.350 0.001 0.000 0.278 2222 E C -0.472 176.047 176.600 -0.135 0.000 1.032 2222 E CA -0.116 56.149 56.400 -0.225 0.000 0.854 2222 E CB 1.817 31.437 29.700 -0.134 0.000 1.046 2222 E HN 0.421 nan 8.360 nan 0.000 0.409 2223 T N 2.256 116.739 114.554 -0.119 0.000 2.900 2223 T HA 0.262 4.612 4.350 0.001 0.000 0.295 2223 T C -1.634 173.080 174.700 0.025 0.000 1.044 2223 T CA -0.637 61.434 62.100 -0.048 0.000 0.995 2223 T CB 1.204 70.032 68.868 -0.068 0.000 1.072 2223 T HN 0.455 nan 8.240 nan 0.000 0.473 2224 H N 3.420 122.458 119.070 -0.053 0.000 2.974 2224 H HA 0.356 4.913 4.556 0.001 0.000 0.366 2224 H C -2.511 172.803 175.328 -0.022 0.000 1.155 2224 H CA -1.652 54.377 56.048 -0.030 0.000 1.186 2224 H CB 2.650 32.395 29.762 -0.029 0.000 1.799 2224 H HN 0.319 nan 8.280 nan 0.000 0.541 2225 P HA -0.101 nan 4.420 nan 0.000 0.216 2225 P C -0.644 176.777 177.300 0.203 0.000 1.153 2225 P CA 1.534 64.691 63.100 0.095 0.000 0.858 2225 P CB 0.406 32.099 31.700 -0.011 0.000 0.789 2226 E N -2.524 117.943 120.200 0.445 0.000 3.117 2226 E HA 0.151 4.502 4.350 0.001 0.000 0.262 2226 E C -2.229 174.301 176.600 -0.116 0.000 1.202 2226 E CA -1.570 54.917 56.400 0.145 0.000 0.853 2226 E CB 1.056 30.818 29.700 0.102 0.000 1.426 2226 E HN 0.076 nan 8.360 nan 0.000 0.387 2227 P HA -0.315 nan 4.420 nan 0.000 0.218 2227 P C 1.169 178.319 177.300 -0.251 0.000 1.152 2227 P CA 1.569 64.506 63.100 -0.272 0.000 0.857 2227 P CB 0.173 31.809 31.700 -0.106 0.000 0.787 2228 E N 0.402 120.515 120.200 -0.145 0.000 2.171 2228 E HA -0.230 4.121 4.350 0.001 0.000 0.197 2228 E C 1.277 177.804 176.600 -0.121 0.000 0.997 2228 E CA 1.315 57.653 56.400 -0.103 0.000 0.810 2228 E CB -0.794 28.871 29.700 -0.059 0.000 0.738 2228 E HN 0.318 nan 8.360 nan 0.000 0.467 2229 K N 0.540 120.841 120.400 -0.164 0.000 2.374 2229 K HA 0.309 4.630 4.320 0.001 0.000 0.196 2229 K C 0.381 176.855 176.600 -0.209 0.000 1.023 2229 K CA 0.123 56.328 56.287 -0.136 0.000 1.103 2229 K CB 0.777 33.243 32.500 -0.057 0.000 0.848 2229 K HN 0.128 nan 8.250 nan 0.000 0.528 2230 A N 1.166 123.750 122.820 -0.394 0.000 2.520 2230 A HA 0.054 4.375 4.320 0.001 0.000 0.235 2230 A C 0.870 178.356 177.584 -0.163 0.000 1.065 2230 A CA 0.086 51.899 52.037 -0.373 0.000 0.764 2230 A CB 0.090 18.834 19.000 -0.427 0.000 1.002 2230 A HN 0.307 nan 8.150 nan 0.000 0.502 2231 L N 1.084 122.228 121.223 -0.132 0.000 2.592 2231 L HA 0.187 4.528 4.340 0.001 0.000 0.227 2231 L C 0.911 177.811 176.870 0.049 0.000 1.127 2231 L CA 0.528 55.289 54.840 -0.130 0.000 0.884 2231 L CB -0.165 41.583 42.059 -0.517 0.000 1.065 2231 L HN 0.644 nan 8.230 nan 0.000 0.457 2232 S N -0.844 114.889 115.700 0.055 0.000 2.537 2232 S HA 0.264 4.734 4.470 0.001 0.000 0.270 2232 S C -0.842 173.782 174.600 0.041 0.000 1.142 2232 S CA -0.654 57.606 58.200 0.101 0.000 0.870 2232 S CB 1.107 64.417 63.200 0.183 0.000 1.112 2232 S HN 0.250 nan 8.310 nan 0.000 0.466 2233 D N 1.710 122.132 120.400 0.037 0.000 2.713 2233 D HA -0.194 4.447 4.640 0.001 0.000 0.231 2233 D C 1.178 177.456 176.300 -0.038 0.000 1.173 2233 D CA 1.012 55.010 54.000 -0.003 0.000 0.628 2233 D CB -1.128 39.652 40.800 -0.034 0.000 1.033 2233 D HN 0.681 nan 8.370 nan 0.000 0.419 2234 A N -0.341 122.453 122.820 -0.043 0.000 1.940 2234 A HA -0.192 4.129 4.320 0.001 0.000 0.219 2234 A C 2.370 179.918 177.584 -0.061 0.000 1.176 2234 A CA 1.861 53.850 52.037 -0.081 0.000 0.631 2234 A CB -0.167 18.787 19.000 -0.077 0.000 0.814 2234 A HN 0.325 nan 8.150 nan 0.000 0.446 2235 S N -0.838 114.842 115.700 -0.033 0.000 2.447 2235 S HA -0.073 4.397 4.470 0.001 0.000 0.233 2235 S C 1.743 176.331 174.600 -0.020 0.000 1.006 2235 S CA 1.677 59.866 58.200 -0.019 0.000 0.957 2235 S CB -0.238 62.964 63.200 0.003 0.000 0.773 2235 S HN 0.909 nan 8.310 nan 0.000 0.507 2236 T N -1.812 112.720 114.554 -0.036 0.000 3.004 2236 T HA 0.261 4.612 4.350 0.001 0.000 0.266 2236 T C 0.277 174.941 174.700 -0.061 0.000 0.986 2236 T CA -0.347 61.728 62.100 -0.042 0.000 0.902 2236 T CB 0.054 68.887 68.868 -0.058 0.000 1.118 2236 T HN 0.123 nan 8.240 nan 0.000 0.522 2237 Q N 1.319 121.080 119.800 -0.065 0.000 2.313 2237 Q HA 0.385 4.726 4.340 0.001 0.000 0.266 2237 Q C -0.769 175.209 176.000 -0.036 0.000 0.989 2237 Q CA -0.496 55.274 55.803 -0.055 0.000 0.890 2237 Q CB 1.180 29.896 28.738 -0.036 0.000 1.200 2237 Q HN 0.322 nan 8.270 nan 0.000 0.396 2238 L N 5.839 127.040 121.223 -0.035 0.000 2.367 2238 L HA 0.234 4.575 4.340 0.001 0.000 0.275 2238 L C -2.336 174.527 176.870 -0.013 0.000 1.129 2238 L CA -1.408 53.413 54.840 -0.032 0.000 0.839 2238 L CB 0.631 42.660 42.059 -0.049 0.000 1.133 2238 L HN 0.398 nan 8.230 nan 0.000 0.453 2239 P HA 0.008 nan 4.420 nan 0.000 0.267 2239 P C 0.957 178.256 177.300 -0.002 0.000 1.209 2239 P CA 0.067 63.170 63.100 0.006 0.000 0.763 2239 P CB 0.616 32.313 31.700 -0.004 0.000 0.816 2240 L N 3.068 124.297 121.223 0.010 0.000 2.064 2240 L HA -0.291 4.050 4.340 0.001 0.000 0.216 2240 L C 2.046 178.909 176.870 -0.010 0.000 1.077 2240 L CA 2.545 57.381 54.840 -0.006 0.000 0.766 2240 L CB -0.621 41.432 42.059 -0.010 0.000 0.890 2240 L HN 0.446 nan 8.230 nan 0.000 0.435 2241 S N -1.669 114.026 115.700 -0.007 0.000 2.500 2241 S HA -0.221 4.250 4.470 0.001 0.000 0.239 2241 S C 1.568 176.159 174.600 -0.014 0.000 0.989 2241 S CA 0.880 59.075 58.200 -0.008 0.000 0.951 2241 S CB -0.171 63.027 63.200 -0.004 0.000 0.759 2241 S HN 0.581 nan 8.310 nan 0.000 0.523 2242 Q N -0.391 119.392 119.800 -0.029 0.000 2.319 2242 Q HA 0.338 4.679 4.340 0.001 0.000 0.202 2242 Q C 1.632 177.583 176.000 -0.081 0.000 0.896 2242 Q CA -0.124 55.643 55.803 -0.059 0.000 0.942 2242 Q CB 0.016 28.706 28.738 -0.079 0.000 1.083 2242 Q HN 0.438 nan 8.270 nan 0.000 0.510 2243 L N 1.446 122.643 121.223 -0.043 0.000 2.017 2243 L HA -0.197 4.144 4.340 0.001 0.000 0.208 2243 L C 2.153 179.028 176.870 0.008 0.000 1.073 2243 L CA 1.989 56.812 54.840 -0.028 0.000 0.745 2243 L CB -0.384 41.679 42.059 0.008 0.000 0.894 2243 L HN 0.213 nan 8.230 nan 0.000 0.432 2244 E N -0.879 119.359 120.200 0.063 0.000 2.049 2244 E HA -0.233 4.118 4.350 0.001 0.000 0.198 2244 E C 2.070 178.731 176.600 0.102 0.000 1.007 2244 E CA 1.340 57.838 56.400 0.163 0.000 0.809 2244 E CB -0.553 29.249 29.700 0.169 0.000 0.749 2244 E HN 0.619 nan 8.360 nan 0.000 0.450 2245 G N 1.241 110.058 108.800 0.029 0.000 2.440 2245 G HA2 -0.253 3.708 3.960 0.001 0.000 0.218 2245 G HA3 -0.253 3.708 3.960 0.001 0.000 0.218 2245 G C 1.615 176.464 174.900 -0.085 0.000 1.154 2245 G CA 0.964 46.063 45.100 -0.002 0.000 0.767 2245 G HN 0.278 nan 8.290 nan 0.000 0.552 2246 I N 0.315 120.750 120.570 -0.224 0.000 2.315 2246 I HA -0.071 4.099 4.170 0.001 0.000 0.248 2246 I C 2.632 178.665 176.117 -0.140 0.000 1.117 2246 I CA 0.632 61.716 61.300 -0.360 0.000 1.404 2246 I CB -0.151 37.555 38.000 -0.489 0.000 1.071 2246 I HN 0.168 nan 8.210 nan 0.000 0.419 2247 I N 0.622 121.109 120.570 -0.137 0.000 2.252 2247 I HA -0.276 3.895 4.170 0.001 0.000 0.245 2247 I C 2.613 178.542 176.117 -0.314 0.000 1.102 2247 I CA 1.243 62.407 61.300 -0.227 0.000 1.385 2247 I CB -0.278 37.526 38.000 -0.327 0.000 1.064 2247 I HN 0.211 nan 8.210 nan 0.000 0.414 2248 E N 1.645 121.708 120.200 -0.229 0.000 2.085 2248 E HA -0.220 4.131 4.350 0.001 0.000 0.194 2248 E C 2.084 178.671 176.600 -0.021 0.000 0.994 2248 E CA 1.883 58.231 56.400 -0.087 0.000 0.801 2248 E CB -0.224 29.555 29.700 0.133 0.000 0.743 2248 E HN 0.403 nan 8.360 nan 0.000 0.453 2249 A N 1.288 124.133 122.820 0.043 0.000 1.883 2249 A HA -0.158 4.163 4.320 0.001 0.000 0.217 2249 A C 2.419 180.048 177.584 0.075 0.000 1.186 2249 A CA 1.969 54.083 52.037 0.128 0.000 0.624 2249 A CB -1.101 18.120 19.000 0.369 0.000 0.822 2249 A HN 0.548 nan 8.150 nan 0.000 0.444 2250 I N -2.779 117.821 120.570 0.050 0.000 2.493 2250 I HA -0.124 4.047 4.170 0.001 0.000 0.254 2250 I C 2.030 178.053 176.117 -0.156 0.000 1.160 2250 I CA 1.147 62.440 61.300 -0.012 0.000 1.445 2250 I CB -0.404 37.614 38.000 0.029 0.000 1.086 2250 I HN 0.209 nan 8.210 nan 0.000 0.433 2251 L N 1.067 122.179 121.223 -0.186 0.000 2.109 2251 L HA -0.104 4.237 4.340 0.001 0.000 0.207 2251 L C 2.670 179.464 176.870 -0.128 0.000 1.086 2251 L CA 1.433 56.139 54.840 -0.223 0.000 0.760 2251 L CB -0.528 41.416 42.059 -0.191 0.000 0.910 2251 L HN 0.278 nan 8.230 nan 0.000 0.437 2252 E N 0.386 120.547 120.200 -0.065 0.000 2.047 2252 E HA -0.196 4.154 4.350 0.001 0.000 0.191 2252 E C 2.271 178.844 176.600 -0.045 0.000 0.987 2252 E CA 1.176 57.555 56.400 -0.034 0.000 0.799 2252 E CB -0.060 29.640 29.700 0.001 0.000 0.752 2252 E HN 0.453 nan 8.360 nan 0.000 0.449 2253 I N 0.853 121.397 120.570 -0.042 0.000 2.226 2253 I HA -0.266 3.905 4.170 0.001 0.000 0.245 2253 I C 2.746 178.833 176.117 -0.049 0.000 1.100 2253 I CA 1.015 62.293 61.300 -0.037 0.000 1.374 2253 I CB -0.253 37.731 38.000 -0.025 0.000 1.057 2253 I HN 0.037 nan 8.210 nan 0.000 0.413 2254 R N 1.079 121.529 120.500 -0.084 0.000 2.091 2254 R HA -0.230 4.111 4.340 0.001 0.000 0.238 2254 R C 2.368 178.586 176.300 -0.137 0.000 1.136 2254 R CA 1.636 57.682 56.100 -0.089 0.000 0.959 2254 R CB -0.271 29.889 30.300 -0.234 0.000 0.856 2254 R HN 0.251 nan 8.270 nan 0.000 0.437 2255 E N 0.337 120.462 120.200 -0.124 0.000 2.070 2255 E HA -0.169 4.181 4.350 0.001 0.000 0.197 2255 E C 1.868 178.391 176.600 -0.129 0.000 1.004 2255 E CA 1.864 58.195 56.400 -0.114 0.000 0.805 2255 E CB -0.048 29.608 29.700 -0.074 0.000 0.744 2255 E HN 0.293 nan 8.360 nan 0.000 0.451 2256 V N 0.981 120.838 119.914 -0.094 0.000 2.323 2256 V HA -0.157 3.964 4.120 0.001 0.000 0.244 2256 V C 2.567 178.614 176.094 -0.078 0.000 1.041 2256 V CA 1.696 63.954 62.300 -0.069 0.000 1.025 2256 V CB -0.839 30.974 31.823 -0.018 0.000 0.656 2256 V HN 0.341 nan 8.190 nan 0.000 0.451 2257 A N 0.890 123.661 122.820 -0.082 0.000 1.969 2257 A HA -0.165 4.156 4.320 0.001 0.000 0.218 2257 A C 2.498 179.786 177.584 -0.492 0.000 1.169 2257 A CA 1.820 53.820 52.037 -0.062 0.000 0.635 2257 A CB -0.742 18.285 19.000 0.044 0.000 0.810 2257 A HN 0.678 nan 8.150 nan 0.000 0.445 2258 S N 0.405 115.591 115.700 -0.856 0.000 2.420 2258 S HA -0.282 4.189 4.470 0.001 0.000 0.237 2258 S C 1.827 175.928 174.600 -0.830 0.000 1.023 2258 S CA 1.714 59.031 58.200 -1.473 0.000 0.991 2258 S CB -0.471 62.320 63.200 -0.682 0.000 0.792 2258 S HN 0.672 nan 8.310 nan 0.000 0.488 2259 K N 0.480 120.523 120.400 -0.595 0.000 2.211 2259 K HA -0.130 4.191 4.320 0.001 0.000 0.204 2259 K C 0.865 177.060 176.600 -0.676 0.000 1.047 2259 K CA 1.436 57.345 56.287 -0.631 0.000 0.935 2259 K CB -0.230 31.785 32.500 -0.809 0.000 0.728 2259 K HN 0.652 nan 8.250 nan 0.000 0.452 2260 Y N -0.817 119.366 120.300 -0.195 0.000 2.458 2260 Y HA 0.139 4.689 4.550 0.001 0.000 0.256 2260 Y C -0.281 175.662 175.900 0.072 0.000 1.159 2260 Y CA -1.014 57.051 58.100 -0.057 0.000 1.261 2260 Y CB 0.192 38.631 38.460 -0.035 0.000 1.119 2260 Y HN -0.136 nan 8.280 nan 0.000 0.524 2261 Y N 2.154 122.495 120.300 0.068 0.000 2.620 2261 Y HA 0.069 4.619 4.550 0.001 0.000 0.330 2261 Y C 0.706 176.624 175.900 0.031 0.000 1.186 2261 Y CA -1.003 57.124 58.100 0.045 0.000 1.467 2261 Y CB -0.076 38.398 38.460 0.024 0.000 1.262 2261 Y HN 0.130 nan 8.280 nan 0.000 0.550 2262 E N 0.697 121.007 120.200 0.183 0.000 2.383 2262 E HA 0.141 4.491 4.350 0.001 0.000 0.264 2262 E C -0.119 176.522 176.600 0.069 0.000 1.050 2262 E CA -0.058 56.401 56.400 0.097 0.000 0.896 2262 E CB 0.316 30.051 29.700 0.059 0.000 0.982 2262 E HN 0.428 nan 8.360 nan 0.000 0.424 2263 T N 3.672 118.254 114.554 0.046 0.000 2.834 2263 T HA 0.216 4.567 4.350 0.001 0.000 0.298 2263 T C 0.827 175.530 174.700 0.005 0.000 0.966 2263 T CA -0.173 61.944 62.100 0.028 0.000 1.141 2263 T CB -0.176 68.705 68.868 0.022 0.000 0.905 2263 T HN 0.543 nan 8.240 nan 0.000 0.535 2264 I N 0.000 120.565 120.570 -0.009 0.000 2.984 2264 I HA 0.000 4.171 4.170 0.001 0.000 0.288 2264 I CA 0.000 61.277 61.300 -0.038 0.000 1.566 2264 I CB 0.000 37.983 38.000 -0.029 0.000 1.214 2264 I HN 0.000 nan 8.210 nan 0.000 0.494