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 1fwn_1_B DATA FIRST_RESID 2002 DATA SEQUENCE EKFLVIAGPC AIESEELLLK VGEEIKRLSE KFKEVEFVFK SSFDKANRSS DATA SEQUENCE IHSFRGHGLE YGVKALRKVK EEFGLKITTD IHESWQAEPV AEVADIIQIP DATA SEQUENCE AFLCRQTDLL LAAAKTGRAV NVKKGQFLAP WDTKNVVEKL KFGGAKEIYL DATA SEQUENCE TERGTTFGYN NLVVDFRSLP IMKQWAKVIY DATHSVQLPG XXXXXXXGMR DATA SEQUENCE EFIFPLIRAA VAVGCDGVFM ETHPEPEKAL SDASTQLPLS QLEGIIEAIL DATA SEQUENCE EIREVASKYY ETI 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 2002 E HA 0.000 nan 4.350 nan 0.000 0.291 2002 E C 0.000 176.656 176.600 0.094 0.000 1.382 2002 E CA 0.000 56.445 56.400 0.076 0.000 0.976 2002 E CB 0.000 29.749 29.700 0.082 0.000 0.812 2003 K N 0.433 120.894 120.400 0.102 0.000 2.168 2003 K HA 0.528 4.848 4.320 0.001 0.000 0.239 2003 K C -0.010 176.681 176.600 0.152 0.000 0.999 2003 K CA -0.624 55.742 56.287 0.131 0.000 0.900 2003 K CB 0.954 33.527 32.500 0.122 0.000 1.111 2003 K HN 0.347 nan 8.250 nan 0.000 0.452 2004 F N 1.492 121.454 119.950 0.020 0.000 2.608 2004 F HA 0.061 4.588 4.527 0.001 0.000 0.380 2004 F C -0.233 175.530 175.800 -0.062 0.000 1.083 2004 F CA -0.475 57.521 58.000 -0.006 0.000 1.266 2004 F CB 0.470 39.458 39.000 -0.020 0.000 1.076 2004 F HN 0.390 nan 8.300 nan 0.000 0.574 2005 L N 6.680 127.533 121.223 -0.618 0.000 2.307 2005 L HA 0.557 4.898 4.340 0.001 0.000 0.282 2005 L C -1.170 175.320 176.870 -0.634 0.000 1.051 2005 L CA -0.426 54.120 54.840 -0.491 0.000 0.804 2005 L CB 1.539 43.387 42.059 -0.352 0.000 1.197 2005 L HN 0.384 nan 8.230 nan 0.000 0.431 2006 V N 6.679 126.301 119.914 -0.488 0.000 2.419 2006 V HA 0.417 4.537 4.120 0.001 0.000 0.287 2006 V C -0.183 175.737 176.094 -0.290 0.000 1.017 2006 V CA -0.422 61.617 62.300 -0.435 0.000 0.844 2006 V CB 1.415 32.841 31.823 -0.662 0.000 1.011 2006 V HN 0.549 nan 8.190 nan 0.000 0.429 2007 I N 4.578 125.004 120.570 -0.240 0.000 2.321 2007 I HA 0.811 4.982 4.170 0.001 0.000 0.291 2007 I C 0.355 176.246 176.117 -0.376 0.000 0.998 2007 I CA -0.084 61.067 61.300 -0.249 0.000 1.227 2007 I CB 1.503 39.375 38.000 -0.213 0.000 1.368 2007 I HN 0.696 nan 8.210 nan 0.000 0.466 2008 A N 4.578 127.203 122.820 -0.326 0.000 2.594 2008 A HA 1.013 5.333 4.320 0.001 0.000 0.291 2008 A C -0.424 176.849 177.584 -0.518 0.000 1.105 2008 A CA -0.254 51.551 52.037 -0.386 0.000 0.694 2008 A CB 2.003 20.901 19.000 -0.171 0.000 1.291 2008 A HN 0.927 nan 8.150 nan 0.000 0.410 2009 G N -0.431 108.055 108.800 -0.522 0.000 2.356 2009 G HA2 0.487 4.448 3.960 0.001 0.000 0.300 2009 G HA3 0.487 4.448 3.960 0.001 0.000 0.300 2009 G C -3.567 171.100 174.900 -0.387 0.000 1.331 2009 G CA -0.201 44.483 45.100 -0.694 0.000 0.905 2009 G HN 0.746 nan 8.290 nan 0.000 0.587 2010 P HA 0.233 nan 4.420 nan 0.000 0.275 2010 P C 1.336 178.627 177.300 -0.016 0.000 1.227 2010 P CA 0.009 63.080 63.100 -0.048 0.000 0.781 2010 P CB 1.618 33.336 31.700 0.029 0.000 0.906 2011 C N 3.370 122.697 119.300 0.045 0.000 2.367 2011 C HA -0.046 4.415 4.460 0.001 0.000 0.276 2011 C C 1.330 176.399 174.990 0.131 0.000 1.195 2011 C CA 1.800 60.867 59.018 0.082 0.000 1.756 2011 C CB -1.340 26.456 27.740 0.094 0.000 2.046 2011 C HN 0.705 nan 8.230 nan 0.000 0.453 2012 A N -0.661 122.275 122.820 0.194 0.000 2.356 2012 A HA 0.707 5.028 4.320 0.001 0.000 0.323 2012 A C -0.393 177.386 177.584 0.324 0.000 1.119 2012 A CA -0.590 51.613 52.037 0.276 0.000 0.790 2012 A CB 0.469 19.724 19.000 0.426 0.000 1.273 2012 A HN 0.443 nan 8.150 nan 0.000 0.452 2013 I N 2.247 123.043 120.570 0.377 0.000 2.270 2013 I HA 0.043 4.214 4.170 0.001 0.000 0.300 2013 I C 0.749 177.181 176.117 0.525 0.000 1.186 2013 I CA 0.239 61.788 61.300 0.414 0.000 1.431 2013 I CB -0.082 38.186 38.000 0.447 0.000 1.485 2013 I HN 0.835 nan 8.210 nan 0.000 0.650 2014 E N 3.343 123.779 120.200 0.393 0.000 2.347 2014 E HA -0.046 4.305 4.350 0.001 0.000 0.196 2014 E C 0.216 176.986 176.600 0.282 0.000 1.008 2014 E CA 0.335 56.921 56.400 0.311 0.000 0.852 2014 E CB 0.090 29.838 29.700 0.080 0.000 0.783 2014 E HN 0.702 nan 8.360 nan 0.000 0.505 2015 S N -0.532 115.321 115.700 0.255 0.000 2.714 2015 S HA -0.007 4.463 4.470 0.001 0.000 0.297 2015 S C 0.224 174.959 174.600 0.225 0.000 0.993 2015 S CA -0.692 57.629 58.200 0.202 0.000 0.844 2015 S CB 0.818 64.077 63.200 0.099 0.000 1.043 2015 S HN 0.237 nan 8.310 nan 0.000 0.457 2016 E N 1.200 121.526 120.200 0.210 0.000 2.333 2016 E HA -0.199 4.152 4.350 0.001 0.000 0.198 2016 E C 1.334 177.964 176.600 0.051 0.000 1.007 2016 E CA 1.272 57.706 56.400 0.056 0.000 0.845 2016 E CB -0.125 29.499 29.700 -0.127 0.000 0.766 2016 E HN 0.787 nan 8.360 nan 0.000 0.507 2017 E N 0.709 120.948 120.200 0.065 0.000 2.051 2017 E HA -0.222 4.128 4.350 0.001 0.000 0.192 2017 E C 2.114 178.743 176.600 0.048 0.000 0.991 2017 E CA 1.148 57.575 56.400 0.046 0.000 0.799 2017 E CB -0.113 29.612 29.700 0.042 0.000 0.748 2017 E HN 0.377 nan 8.360 nan 0.000 0.449 2018 L N 1.135 122.391 121.223 0.056 0.000 2.042 2018 L HA -0.179 4.161 4.340 0.001 0.000 0.210 2018 L C 2.178 179.091 176.870 0.072 0.000 1.076 2018 L CA 1.583 56.439 54.840 0.026 0.000 0.749 2018 L CB -0.386 41.684 42.059 0.019 0.000 0.893 2018 L HN 0.247 nan 8.230 nan 0.000 0.432 2019 L N -1.322 119.984 121.223 0.138 0.000 2.083 2019 L HA -0.235 4.105 4.340 0.001 0.000 0.209 2019 L C 2.550 179.471 176.870 0.084 0.000 1.083 2019 L CA 1.288 56.260 54.840 0.219 0.000 0.752 2019 L CB -0.734 41.428 42.059 0.170 0.000 0.899 2019 L HN 0.344 nan 8.230 nan 0.000 0.433 2020 L N -0.131 121.137 121.223 0.074 0.000 2.056 2020 L HA -0.211 4.129 4.340 0.001 0.000 0.207 2020 L C 2.738 179.669 176.870 0.102 0.000 1.078 2020 L CA 1.292 56.225 54.840 0.156 0.000 0.749 2020 L CB -0.503 41.630 42.059 0.123 0.000 0.901 2020 L HN 0.253 nan 8.230 nan 0.000 0.433 2021 K N 0.238 120.666 120.400 0.046 0.000 2.009 2021 K HA -0.169 4.152 4.320 0.001 0.000 0.210 2021 K C 2.021 178.594 176.600 -0.045 0.000 1.049 2021 K CA 1.617 57.902 56.287 -0.003 0.000 0.929 2021 K CB -0.047 32.443 32.500 -0.017 0.000 0.714 2021 K HN 0.044 nan 8.250 nan 0.000 0.440 2022 V N 0.632 120.549 119.914 0.005 0.000 2.407 2022 V HA -0.178 3.942 4.120 0.001 0.000 0.248 2022 V C 2.368 178.485 176.094 0.039 0.000 1.055 2022 V CA 2.106 64.432 62.300 0.043 0.000 1.049 2022 V CB -0.860 31.044 31.823 0.134 0.000 0.662 2022 V HN 0.624 nan 8.190 nan 0.000 0.455 2023 G N -0.804 107.981 108.800 -0.025 0.000 2.432 2023 G HA2 -0.286 3.674 3.960 0.001 0.000 0.219 2023 G HA3 -0.286 3.674 3.960 0.001 0.000 0.219 2023 G C 1.523 175.806 174.900 -1.029 0.000 1.135 2023 G CA 0.920 45.766 45.100 -0.422 0.000 0.767 2023 G HN 0.583 nan 8.290 nan 0.000 0.550 2024 E N 0.085 119.728 120.200 -0.927 0.000 2.072 2024 E HA -0.154 4.197 4.350 0.001 0.000 0.191 2024 E C 2.289 178.630 176.600 -0.432 0.000 0.985 2024 E CA 1.265 57.184 56.400 -0.802 0.000 0.801 2024 E CB -0.057 29.468 29.700 -0.291 0.000 0.750 2024 E HN 0.408 nan 8.360 nan 0.000 0.452 2025 E N 0.856 120.890 120.200 -0.277 0.000 2.072 2025 E HA -0.121 4.229 4.350 0.001 0.000 0.191 2025 E C 1.918 178.394 176.600 -0.208 0.000 0.985 2025 E CA 1.148 57.440 56.400 -0.180 0.000 0.801 2025 E CB -0.273 29.363 29.700 -0.106 0.000 0.750 2025 E HN 0.371 nan 8.360 nan 0.000 0.452 2026 I N 0.356 120.801 120.570 -0.208 0.000 2.454 2026 I HA -0.222 3.948 4.170 0.001 0.000 0.254 2026 I C 2.157 178.045 176.117 -0.383 0.000 1.156 2026 I CA 0.991 62.152 61.300 -0.231 0.000 1.433 2026 I CB -0.217 37.769 38.000 -0.024 0.000 1.082 2026 I HN 0.078 nan 8.210 nan 0.000 0.432 2027 K N 1.528 121.705 120.400 -0.371 0.000 2.062 2027 K HA -0.165 4.156 4.320 0.001 0.000 0.205 2027 K C 2.178 178.623 176.600 -0.259 0.000 1.051 2027 K CA 1.414 57.515 56.287 -0.309 0.000 0.941 2027 K CB -0.277 32.006 32.500 -0.361 0.000 0.719 2027 K HN 0.074 nan 8.250 nan 0.000 0.440 2028 R N -0.254 120.100 120.500 -0.243 0.000 2.070 2028 R HA -0.100 4.240 4.340 0.001 0.000 0.233 2028 R C 1.909 178.078 176.300 -0.217 0.000 1.137 2028 R CA 1.601 57.590 56.100 -0.184 0.000 0.945 2028 R CB -0.387 29.826 30.300 -0.145 0.000 0.845 2028 R HN 0.132 nan 8.270 nan 0.000 0.430 2029 L N 0.681 121.754 121.223 -0.251 0.000 2.127 2029 L HA -0.133 4.207 4.340 0.001 0.000 0.211 2029 L C 2.498 179.153 176.870 -0.359 0.000 1.089 2029 L CA 1.708 56.431 54.840 -0.194 0.000 0.757 2029 L CB -1.069 40.930 42.059 -0.100 0.000 0.899 2029 L HN 0.217 nan 8.230 nan 0.000 0.434 2030 S N -0.894 114.410 115.700 -0.661 0.000 2.383 2030 S HA -0.172 4.299 4.470 0.001 0.000 0.229 2030 S C 1.867 176.407 174.600 -0.100 0.000 1.030 2030 S CA 1.195 59.103 58.200 -0.485 0.000 1.002 2030 S CB -0.042 62.952 63.200 -0.343 0.000 0.829 2030 S HN 0.449 nan 8.310 nan 0.000 0.467 2031 E N 0.717 120.837 120.200 -0.133 0.000 2.285 2031 E HA -0.001 4.349 4.350 0.001 0.000 0.194 2031 E C 1.922 178.451 176.600 -0.118 0.000 0.997 2031 E CA 0.567 56.918 56.400 -0.082 0.000 0.845 2031 E CB -0.172 29.477 29.700 -0.085 0.000 0.782 2031 E HN 0.589 nan 8.360 nan 0.000 0.491 2032 K N -0.166 120.097 120.400 -0.228 0.000 2.137 2032 K HA 0.008 4.329 4.320 0.001 0.000 0.202 2032 K C 0.085 176.375 176.600 -0.517 0.000 1.052 2032 K CA 0.496 56.511 56.287 -0.453 0.000 0.961 2032 K CB 0.209 32.271 32.500 -0.730 0.000 0.741 2032 K HN -0.070 nan 8.250 nan 0.000 0.452 2033 F N 1.672 121.697 119.950 0.125 0.000 2.334 2033 F HA 0.307 4.834 4.527 0.001 0.000 0.343 2033 F C 0.603 176.536 175.800 0.221 0.000 1.136 2033 F CA -0.922 57.197 58.000 0.198 0.000 1.237 2033 F CB 1.265 40.453 39.000 0.314 0.000 1.525 2033 F HN -0.233 nan 8.300 nan 0.000 0.528 2034 K N 0.436 120.978 120.400 0.236 0.000 2.281 2034 K HA -0.181 4.139 4.320 0.001 0.000 0.203 2034 K C 1.644 178.363 176.600 0.198 0.000 1.046 2034 K CA 0.930 57.331 56.287 0.189 0.000 0.938 2034 K CB 0.118 32.682 32.500 0.108 0.000 0.737 2034 K HN 0.417 nan 8.250 nan 0.000 0.458 2035 E N 0.496 120.823 120.200 0.211 0.000 2.481 2035 E HA -0.004 4.347 4.350 0.001 0.000 0.195 2035 E C -0.359 176.349 176.600 0.179 0.000 1.047 2035 E CA 0.053 56.555 56.400 0.169 0.000 0.867 2035 E CB 0.366 30.152 29.700 0.143 0.000 0.858 2035 E HN -0.136 nan 8.360 nan 0.000 0.513 2036 V N 1.304 121.353 119.914 0.225 0.000 2.472 2036 V HA 0.239 4.359 4.120 0.001 0.000 0.290 2036 V C -0.019 176.141 176.094 0.111 0.000 1.037 2036 V CA -0.780 61.591 62.300 0.119 0.000 0.908 2036 V CB 1.672 33.474 31.823 -0.036 0.000 0.985 2036 V HN 0.047 nan 8.190 nan 0.000 0.454 2037 E N 3.590 123.788 120.200 -0.003 0.000 2.081 2037 E HA 0.374 4.724 4.350 0.001 0.000 0.281 2037 E C -1.392 175.172 176.600 -0.060 0.000 0.986 2037 E CA -0.455 55.974 56.400 0.049 0.000 0.796 2037 E CB 0.558 30.279 29.700 0.034 0.000 1.085 2037 E HN 0.502 nan 8.360 nan 0.000 0.398 2038 F N 2.892 122.871 119.950 0.048 0.000 2.385 2038 F HA 0.337 4.864 4.527 0.001 0.000 0.336 2038 F C 0.044 175.857 175.800 0.023 0.000 1.100 2038 F CA -0.520 57.498 58.000 0.029 0.000 1.116 2038 F CB 1.481 40.514 39.000 0.056 0.000 1.166 2038 F HN 0.128 nan 8.300 nan 0.000 0.511 2039 V N 4.111 124.122 119.914 0.161 0.000 2.569 2039 V HA 0.215 4.335 4.120 0.001 0.000 0.301 2039 V C -0.831 175.329 176.094 0.111 0.000 1.044 2039 V CA -1.040 61.325 62.300 0.108 0.000 0.874 2039 V CB 1.628 33.448 31.823 -0.005 0.000 1.002 2039 V HN 0.552 nan 8.190 nan 0.000 0.424 2040 F N 5.482 125.450 119.950 0.030 0.000 2.456 2040 F HA 0.626 5.154 4.527 0.001 0.000 0.358 2040 F C 0.207 176.000 175.800 -0.011 0.000 1.095 2040 F CA 0.035 58.039 58.000 0.006 0.000 1.216 2040 F CB 0.781 39.798 39.000 0.028 0.000 1.125 2040 F HN 0.574 nan 8.300 nan 0.000 0.549 2041 K N 3.984 124.061 120.400 -0.538 0.000 2.422 2041 K HA 0.737 5.058 4.320 0.001 0.000 0.251 2041 K C -1.637 174.749 176.600 -0.356 0.000 0.933 2041 K CA -0.565 55.548 56.287 -0.290 0.000 0.798 2041 K CB 2.120 34.454 32.500 -0.277 0.000 1.238 2041 K HN 0.522 nan 8.250 nan 0.000 0.428 2042 S N 1.605 117.284 115.700 -0.035 0.000 2.578 2042 S HA 0.419 4.889 4.470 0.001 0.000 0.285 2042 S C -1.573 173.114 174.600 0.145 0.000 1.126 2042 S CA -0.767 57.468 58.200 0.058 0.000 0.878 2042 S CB 0.998 64.305 63.200 0.179 0.000 1.091 2042 S HN 0.610 nan 8.310 nan 0.000 0.450 2043 S N 3.328 119.100 115.700 0.121 0.000 2.499 2043 S HA 0.375 4.846 4.470 0.001 0.000 0.279 2043 S C 0.812 175.479 174.600 0.112 0.000 1.219 2043 S CA -0.579 57.651 58.200 0.049 0.000 1.062 2043 S CB 0.321 63.515 63.200 -0.009 0.000 0.978 2043 S HN 0.689 nan 8.310 nan 0.000 0.489 2044 F N 0.467 120.520 119.950 0.171 0.000 2.710 2044 F HA 0.434 4.962 4.527 0.001 0.000 0.298 2044 F C 0.386 176.246 175.800 0.099 0.000 1.137 2044 F CA -0.333 57.771 58.000 0.173 0.000 1.444 2044 F CB -0.012 39.088 39.000 0.167 0.000 1.111 2044 F HN 0.448 nan 8.300 nan 0.000 0.580 2045 D N 0.353 120.534 120.400 -0.366 0.000 2.931 2045 D HA 0.205 4.845 4.640 0.001 0.000 0.215 2045 D C -1.435 174.623 176.300 -0.405 0.000 1.297 2045 D CA -0.610 53.189 54.000 -0.336 0.000 0.892 2045 D CB 1.297 41.922 40.800 -0.291 0.000 1.642 2045 D HN -0.099 nan 8.370 nan 0.000 0.560 2046 K N 3.128 123.338 120.400 -0.317 0.000 2.231 2046 K HA 0.470 4.791 4.320 0.001 0.000 0.255 2046 K C 0.327 176.756 176.600 -0.285 0.000 1.108 2046 K CA -0.311 55.838 56.287 -0.231 0.000 0.997 2046 K CB 1.174 33.597 32.500 -0.130 0.000 1.549 2046 K HN 0.459 nan 8.250 nan 0.000 0.419 2047 A N 2.676 125.226 122.820 -0.450 0.000 2.235 2047 A HA -0.093 4.228 4.320 0.001 0.000 0.208 2047 A C 1.054 178.551 177.584 -0.144 0.000 1.172 2047 A CA 0.638 52.445 52.037 -0.383 0.000 0.786 2047 A CB -0.567 18.012 19.000 -0.703 0.000 0.804 2047 A HN 0.825 nan 8.150 nan 0.000 0.479 2048 N N -1.457 117.202 118.700 -0.069 0.000 2.365 2048 N HA 0.124 4.864 4.740 0.001 0.000 0.257 2048 N C -0.330 175.223 175.510 0.071 0.000 1.287 2048 N CA -0.748 52.338 53.050 0.060 0.000 0.882 2048 N CB 0.491 39.088 38.487 0.184 0.000 1.250 2048 N HN -0.064 nan 8.380 nan 0.000 0.507 2049 R N 0.660 121.168 120.500 0.013 0.000 2.756 2049 R HA 0.081 4.421 4.340 0.001 0.000 0.264 2049 R C 0.940 177.264 176.300 0.040 0.000 1.026 2049 R CA 0.080 56.198 56.100 0.030 0.000 1.121 2049 R CB 0.520 30.824 30.300 0.007 0.000 0.999 2049 R HN 0.206 nan 8.270 nan 0.000 0.449 2050 S N 0.452 116.184 115.700 0.052 0.000 2.368 2050 S HA -0.098 4.373 4.470 0.001 0.000 0.224 2050 S C 1.053 175.657 174.600 0.007 0.000 1.029 2050 S CA 1.045 59.269 58.200 0.040 0.000 0.988 2050 S CB 0.030 63.259 63.200 0.048 0.000 0.838 2050 S HN 0.644 nan 8.310 nan 0.000 0.462 2051 S N 0.088 115.793 115.700 0.007 0.000 2.541 2051 S HA 0.378 4.848 4.470 0.001 0.000 0.283 2051 S C 0.708 175.269 174.600 -0.064 0.000 1.196 2051 S CA -0.696 57.490 58.200 -0.023 0.000 1.062 2051 S CB 0.937 64.151 63.200 0.024 0.000 1.009 2051 S HN 0.169 nan 8.310 nan 0.000 0.502 2052 I N 4.004 124.471 120.570 -0.171 0.000 2.614 2052 I HA 0.015 4.186 4.170 0.001 0.000 0.258 2052 I C 1.245 177.253 176.117 -0.182 0.000 1.189 2052 I CA 1.672 62.843 61.300 -0.214 0.000 1.462 2052 I CB -0.342 37.466 38.000 -0.320 0.000 1.092 2052 I HN 0.838 nan 8.210 nan 0.000 0.442 2053 H N -1.229 117.847 119.070 0.010 0.000 2.526 2053 H HA 0.316 4.872 4.556 0.001 0.000 0.274 2053 H C 0.861 176.208 175.328 0.032 0.000 0.999 2053 H CA -0.274 55.784 56.048 0.017 0.000 1.157 2053 H CB 0.158 29.930 29.762 0.017 0.000 1.407 2053 H HN 0.158 nan 8.280 nan 0.000 0.568 2054 S N 0.475 116.244 115.700 0.115 0.000 2.672 2054 S HA 0.116 4.586 4.470 0.001 0.000 0.276 2054 S C -0.346 174.327 174.600 0.122 0.000 1.207 2054 S CA -0.809 57.461 58.200 0.116 0.000 1.002 2054 S CB 0.816 64.067 63.200 0.085 0.000 0.998 2054 S HN 0.248 nan 8.310 nan 0.000 0.542 2055 F N 2.110 122.062 119.950 0.003 0.000 2.543 2055 F HA 0.194 4.722 4.527 0.001 0.000 0.375 2055 F C 1.258 177.041 175.800 -0.029 0.000 1.075 2055 F CA 0.248 58.236 58.000 -0.020 0.000 1.225 2055 F CB 0.363 39.355 39.000 -0.014 0.000 1.099 2055 F HN 0.562 nan 8.300 nan 0.000 0.561 2056 R N 3.238 123.261 120.500 -0.794 0.000 2.140 2056 R HA 0.481 4.821 4.340 0.001 0.000 0.200 2056 R C 0.598 176.278 176.300 -1.034 0.000 1.069 2056 R CA 0.217 55.908 56.100 -0.681 0.000 1.088 2056 R CB 0.154 30.231 30.300 -0.372 0.000 1.012 2056 R HN 0.885 nan 8.270 nan 0.000 0.500 2057 G N -0.760 107.235 108.800 -1.342 0.000 2.362 2057 G HA2 -0.056 3.905 3.960 0.001 0.000 0.288 2057 G HA3 -0.056 3.905 3.960 0.001 0.000 0.288 2057 G C -1.169 173.442 174.900 -0.481 0.000 1.305 2057 G CA -0.825 43.762 45.100 -0.856 0.000 0.910 2057 G HN 0.294 nan 8.290 nan 0.000 0.518 2058 H N 0.161 119.220 119.070 -0.018 0.000 2.542 2058 H HA 0.517 5.073 4.556 0.001 0.000 0.283 2058 H C 1.149 176.505 175.328 0.047 0.000 1.059 2058 H CA 1.097 57.103 56.048 -0.070 0.000 1.162 2058 H CB 0.617 30.124 29.762 -0.425 0.000 1.539 2058 H HN 1.721 nan 8.280 nan 0.000 0.543 2059 G N 0.081 109.003 108.800 0.204 0.000 2.662 2059 G HA2 -0.224 3.737 3.960 0.001 0.000 0.686 2059 G HA3 -0.224 3.737 3.960 0.001 0.000 0.686 2059 G C 0.179 175.247 174.900 0.280 0.000 1.271 2059 G CA -0.294 44.949 45.100 0.239 0.000 0.816 2059 G HN 0.195 nan 8.290 nan 0.000 0.608 2060 L N 0.352 121.657 121.223 0.136 0.000 2.056 2060 L HA 0.139 4.480 4.340 0.001 0.000 0.207 2060 L C 2.501 179.276 176.870 -0.157 0.000 1.078 2060 L CA 3.016 57.664 54.840 -0.319 0.000 0.749 2060 L CB -0.797 41.021 42.059 -0.402 0.000 0.901 2060 L HN 0.811 nan 8.230 nan 0.000 0.433 2061 E N -1.450 118.761 120.200 0.018 0.000 2.017 2061 E HA -0.306 4.045 4.350 0.001 0.000 0.193 2061 E C 2.145 178.798 176.600 0.088 0.000 0.997 2061 E CA 1.847 58.273 56.400 0.043 0.000 0.804 2061 E CB -0.462 29.286 29.700 0.079 0.000 0.757 2061 E HN 0.610 nan 8.360 nan 0.000 0.448 2062 Y N 1.002 121.332 120.300 0.049 0.000 2.165 2062 Y HA -0.226 4.325 4.550 0.001 0.000 0.286 2062 Y C 2.214 178.161 175.900 0.078 0.000 1.155 2062 Y CA 1.920 60.061 58.100 0.068 0.000 1.164 2062 Y CB -0.583 37.947 38.460 0.117 0.000 0.978 2062 Y HN 0.030 nan 8.280 nan 0.000 0.513 2063 G N -0.505 108.491 108.800 0.326 0.000 2.433 2063 G HA2 -0.265 3.696 3.960 0.001 0.000 0.216 2063 G HA3 -0.265 3.696 3.960 0.001 0.000 0.216 2063 G C 1.677 176.635 174.900 0.095 0.000 1.186 2063 G CA 1.510 46.779 45.100 0.282 0.000 0.779 2063 G HN 0.355 nan 8.290 nan 0.000 0.543 2064 V N 1.075 120.984 119.914 -0.010 0.000 2.392 2064 V HA -0.187 3.934 4.120 0.001 0.000 0.249 2064 V C 2.670 178.736 176.094 -0.047 0.000 1.059 2064 V CA 2.307 64.583 62.300 -0.040 0.000 1.051 2064 V CB -0.408 31.360 31.823 -0.091 0.000 0.658 2064 V HN 0.489 nan 8.190 nan 0.000 0.455 2065 K N 0.483 120.833 120.400 -0.084 0.000 2.025 2065 K HA -0.148 4.173 4.320 0.001 0.000 0.207 2065 K C 2.236 178.737 176.600 -0.164 0.000 1.049 2065 K CA 1.531 57.740 56.287 -0.129 0.000 0.933 2065 K CB -0.349 32.047 32.500 -0.173 0.000 0.714 2065 K HN 0.391 nan 8.250 nan 0.000 0.438 2066 A N 1.159 123.845 122.820 -0.223 0.000 1.908 2066 A HA -0.142 4.178 4.320 0.001 0.000 0.218 2066 A C 2.023 179.555 177.584 -0.087 0.000 1.181 2066 A CA 1.249 53.171 52.037 -0.191 0.000 0.627 2066 A CB -0.527 18.369 19.000 -0.173 0.000 0.818 2066 A HN 0.296 nan 8.150 nan 0.000 0.445 2067 L N -0.443 120.767 121.223 -0.021 0.000 2.046 2067 L HA -0.092 4.248 4.340 0.001 0.000 0.208 2067 L C 2.602 179.445 176.870 -0.044 0.000 1.077 2067 L CA 1.604 56.449 54.840 0.009 0.000 0.747 2067 L CB -0.748 41.363 42.059 0.088 0.000 0.896 2067 L HN 0.335 nan 8.230 nan 0.000 0.432 2068 R N -0.487 119.981 120.500 -0.054 0.000 2.083 2068 R HA -0.236 4.104 4.340 0.001 0.000 0.237 2068 R C 2.284 178.525 176.300 -0.099 0.000 1.137 2068 R CA 1.573 57.635 56.100 -0.064 0.000 0.951 2068 R CB -0.300 29.961 30.300 -0.065 0.000 0.851 2068 R HN 0.128 nan 8.270 nan 0.000 0.434 2069 K N 0.668 120.994 120.400 -0.124 0.000 2.044 2069 K HA -0.145 4.175 4.320 0.001 0.000 0.210 2069 K C 1.858 178.337 176.600 -0.202 0.000 1.049 2069 K CA 1.537 57.727 56.287 -0.161 0.000 0.927 2069 K CB -0.512 31.892 32.500 -0.159 0.000 0.713 2069 K HN -0.016 nan 8.250 nan 0.000 0.443 2070 V N 1.148 120.954 119.914 -0.179 0.000 2.295 2070 V HA -0.233 3.888 4.120 0.001 0.000 0.246 2070 V C 2.493 178.526 176.094 -0.101 0.000 1.049 2070 V CA 2.174 64.374 62.300 -0.166 0.000 1.024 2070 V CB -0.513 31.061 31.823 -0.414 0.000 0.648 2070 V HN 0.452 nan 8.190 nan 0.000 0.447 2071 K N -0.142 120.204 120.400 -0.089 0.000 2.147 2071 K HA -0.207 4.114 4.320 0.001 0.000 0.205 2071 K C 2.038 178.596 176.600 -0.069 0.000 1.049 2071 K CA 1.720 57.984 56.287 -0.038 0.000 0.936 2071 K CB -0.020 32.469 32.500 -0.017 0.000 0.722 2071 K HN 0.622 nan 8.250 nan 0.000 0.446 2072 E N 0.238 120.364 120.200 -0.123 0.000 2.051 2072 E HA -0.138 4.213 4.350 0.001 0.000 0.189 2072 E C 1.923 178.390 176.600 -0.222 0.000 0.979 2072 E CA 0.924 57.239 56.400 -0.142 0.000 0.803 2072 E CB 0.067 29.684 29.700 -0.138 0.000 0.761 2072 E HN 0.371 nan 8.360 nan 0.000 0.451 2073 E N -0.337 119.627 120.200 -0.394 0.000 2.152 2073 E HA -0.090 4.261 4.350 0.001 0.000 0.192 2073 E C 1.073 177.231 176.600 -0.737 0.000 0.983 2073 E CA 0.805 56.797 56.400 -0.680 0.000 0.818 2073 E CB 0.166 29.196 29.700 -1.117 0.000 0.758 2073 E HN 0.206 nan 8.360 nan 0.000 0.467 2074 F N -1.268 118.627 119.950 -0.091 0.000 2.728 2074 F HA 0.325 4.853 4.527 0.001 0.000 0.314 2074 F C 1.224 176.992 175.800 -0.054 0.000 1.094 2074 F CA 0.238 58.191 58.000 -0.079 0.000 1.217 2074 F CB 0.812 39.750 39.000 -0.104 0.000 1.056 2074 F HN -0.065 nan 8.300 nan 0.000 0.577 2075 G N 2.044 110.885 108.800 0.070 0.000 2.295 2075 G HA2 -0.291 3.669 3.960 0.001 0.000 0.287 2075 G HA3 -0.291 3.669 3.960 0.001 0.000 0.287 2075 G C -0.215 174.736 174.900 0.084 0.000 1.055 2075 G CA -0.029 45.103 45.100 0.054 0.000 0.922 2075 G HN 0.306 nan 8.290 nan 0.000 0.503 2076 L N -0.510 120.774 121.223 0.101 0.000 2.322 2076 L HA 0.470 4.810 4.340 0.001 0.000 0.279 2076 L C 1.066 178.002 176.870 0.110 0.000 1.036 2076 L CA -1.018 53.893 54.840 0.118 0.000 0.807 2076 L CB 1.313 43.454 42.059 0.137 0.000 1.226 2076 L HN 0.049 nan 8.230 nan 0.000 0.433 2077 K N 2.545 123.018 120.400 0.121 0.000 2.276 2077 K HA 0.447 4.768 4.320 0.001 0.000 0.259 2077 K C -0.676 176.004 176.600 0.133 0.000 1.001 2077 K CA 0.013 56.363 56.287 0.105 0.000 0.927 2077 K CB 0.857 33.412 32.500 0.092 0.000 0.969 2077 K HN 0.396 nan 8.250 nan 0.000 0.490 2078 I N 0.127 120.766 120.570 0.115 0.000 2.785 2078 I HA 0.276 4.446 4.170 0.001 0.000 0.302 2078 I C -0.252 175.931 176.117 0.109 0.000 1.069 2078 I CA -0.683 60.707 61.300 0.149 0.000 1.045 2078 I CB 2.432 40.518 38.000 0.143 0.000 1.236 2078 I HN 0.505 nan 8.210 nan 0.000 0.429 2079 T N 1.972 116.598 114.554 0.120 0.000 2.982 2079 T HA 0.565 4.916 4.350 0.001 0.000 0.321 2079 T C -1.197 173.565 174.700 0.103 0.000 1.229 2079 T CA -0.261 61.887 62.100 0.081 0.000 1.044 2079 T CB 1.739 70.627 68.868 0.032 0.000 1.184 2079 T HN 0.788 nan 8.240 nan 0.000 0.477 2080 T N 2.331 116.945 114.554 0.100 0.000 2.821 2080 T HA 0.559 4.910 4.350 0.001 0.000 0.306 2080 T C -2.015 172.710 174.700 0.043 0.000 1.313 2080 T CA -0.702 61.467 62.100 0.114 0.000 1.012 2080 T CB 1.485 70.498 68.868 0.241 0.000 1.298 2080 T HN 0.801 nan 8.240 nan 0.000 0.502 2081 D N 2.485 122.848 120.400 -0.060 0.000 2.229 2081 D HA 0.524 5.165 4.640 0.001 0.000 0.249 2081 D C 0.276 176.313 176.300 -0.439 0.000 1.027 2081 D CA -0.651 53.215 54.000 -0.223 0.000 0.923 2081 D CB 1.054 41.699 40.800 -0.258 0.000 1.174 2081 D HN 0.773 nan 8.370 nan 0.000 0.443 2082 I N -2.352 117.939 120.570 -0.466 0.000 2.750 2082 I HA 0.491 4.662 4.170 0.001 0.000 0.308 2082 I C -0.396 175.252 176.117 -0.780 0.000 1.016 2082 I CA -0.946 60.064 61.300 -0.484 0.000 1.098 2082 I CB 1.871 39.754 38.000 -0.195 0.000 1.279 2082 I HN 0.318 nan 8.210 nan 0.000 0.454 2083 H N 0.525 119.533 119.070 -0.103 0.000 3.255 2083 H HA 0.444 5.001 4.556 0.001 0.000 0.256 2083 H C -0.571 174.727 175.328 -0.050 0.000 1.049 2083 H CA -0.228 55.776 56.048 -0.073 0.000 1.202 2083 H CB 0.747 30.469 29.762 -0.066 0.000 1.497 2083 H HN 0.595 nan 8.280 nan 0.000 0.503 2084 E N -0.284 119.883 120.200 -0.055 0.000 2.356 2084 E HA 0.278 4.629 4.350 0.001 0.000 0.275 2084 E C 0.068 176.568 176.600 -0.167 0.000 0.904 2084 E CA -0.312 56.066 56.400 -0.037 0.000 0.757 2084 E CB 2.502 32.280 29.700 0.130 0.000 1.232 2084 E HN -0.027 nan 8.360 nan 0.000 0.442 2085 S N 1.672 117.372 115.700 -0.000 0.000 2.381 2085 S HA -0.199 4.271 4.470 0.001 0.000 0.230 2085 S C 1.652 176.265 174.600 0.022 0.000 1.052 2085 S CA 2.019 60.233 58.200 0.023 0.000 1.068 2085 S CB -0.339 62.919 63.200 0.097 0.000 0.918 2085 S HN 0.755 nan 8.310 nan 0.000 0.448 2086 W N 2.078 123.411 121.300 0.055 0.000 2.341 2086 W HA -0.178 4.483 4.660 0.001 0.000 0.283 2086 W C 1.354 177.903 176.519 0.049 0.000 1.215 2086 W CA 1.123 58.496 57.345 0.047 0.000 1.211 2086 W CB -1.059 28.427 29.460 0.044 0.000 1.131 2086 W HN 0.424 nan 8.180 nan 0.000 0.552 2087 Q N 0.980 120.341 119.800 -0.731 0.000 2.297 2087 Q HA -0.024 4.317 4.340 0.001 0.000 0.204 2087 Q C 2.693 178.552 176.000 -0.236 0.000 0.962 2087 Q CA 1.416 56.819 55.803 -0.668 0.000 0.879 2087 Q CB -0.430 27.834 28.738 -0.789 0.000 0.947 2087 Q HN 0.348 nan 8.270 nan 0.000 0.462 2088 A N 1.873 124.610 122.820 -0.138 0.000 1.873 2088 A HA -0.307 4.014 4.320 0.001 0.000 0.218 2088 A C 1.989 179.560 177.584 -0.022 0.000 1.193 2088 A CA 1.832 53.835 52.037 -0.057 0.000 0.629 2088 A CB -0.603 18.382 19.000 -0.025 0.000 0.826 2088 A HN 0.447 nan 8.150 nan 0.000 0.447 2089 E N -0.433 119.771 120.200 0.008 0.000 2.023 2089 E HA -0.165 4.185 4.350 0.001 0.000 0.196 2089 E C -0.463 176.145 176.600 0.014 0.000 1.003 2089 E CA 1.541 57.955 56.400 0.024 0.000 0.809 2089 E CB -0.642 29.089 29.700 0.051 0.000 0.755 2089 E HN 0.497 nan 8.360 nan 0.000 0.449 2090 P HA -0.131 nan 4.420 nan 0.000 0.216 2090 P C 1.620 178.896 177.300 -0.041 0.000 1.150 2090 P CA 1.076 64.175 63.100 -0.002 0.000 0.837 2090 P CB -0.006 31.706 31.700 0.020 0.000 0.786 2091 V N 0.945 120.821 119.914 -0.064 0.000 2.427 2091 V HA -0.168 3.953 4.120 0.001 0.000 0.248 2091 V C 2.821 178.912 176.094 -0.005 0.000 1.051 2091 V CA 1.932 64.203 62.300 -0.049 0.000 1.048 2091 V CB -1.670 30.141 31.823 -0.020 0.000 0.666 2091 V HN 0.098 nan 8.190 nan 0.000 0.456 2092 A N -0.344 122.476 122.820 0.000 0.000 2.131 2092 A HA -0.197 4.123 4.320 0.001 0.000 0.220 2092 A C 2.090 179.681 177.584 0.013 0.000 1.158 2092 A CA 1.402 53.446 52.037 0.013 0.000 0.665 2092 A CB -0.355 18.653 19.000 0.014 0.000 0.795 2092 A HN 0.555 nan 8.150 nan 0.000 0.460 2093 E N -0.376 119.827 120.200 0.005 0.000 2.153 2093 E HA -0.117 4.234 4.350 0.001 0.000 0.194 2093 E C 1.772 178.376 176.600 0.006 0.000 0.988 2093 E CA 1.625 58.028 56.400 0.004 0.000 0.811 2093 E CB -0.228 29.470 29.700 -0.004 0.000 0.746 2093 E HN 0.505 nan 8.360 nan 0.000 0.466 2094 V N -0.091 119.829 119.914 0.011 0.000 3.359 2094 V HA 0.233 4.354 4.120 0.001 0.000 0.245 2094 V C 0.876 176.994 176.094 0.040 0.000 1.247 2094 V CA 0.425 62.736 62.300 0.020 0.000 1.145 2094 V CB 0.254 32.086 31.823 0.016 0.000 0.906 2094 V HN 0.071 nan 8.190 nan 0.000 0.464 2095 A N 0.824 123.672 122.820 0.046 0.000 2.451 2095 A HA 0.184 4.505 4.320 0.001 0.000 0.266 2095 A C 0.949 178.564 177.584 0.052 0.000 1.119 2095 A CA -0.003 52.070 52.037 0.060 0.000 0.786 2095 A CB -0.123 18.916 19.000 0.065 0.000 1.061 2095 A HN 0.405 nan 8.150 nan 0.000 0.503 2096 D N 1.722 122.156 120.400 0.057 0.000 2.194 2096 D HA 0.037 4.677 4.640 0.001 0.000 0.204 2096 D C 0.183 176.517 176.300 0.056 0.000 0.964 2096 D CA 1.421 55.454 54.000 0.055 0.000 0.846 2096 D CB 0.250 41.085 40.800 0.058 0.000 0.962 2096 D HN 0.584 nan 8.370 nan 0.000 0.490 2097 I N 1.495 122.093 120.570 0.048 0.000 2.447 2097 I HA 0.268 4.439 4.170 0.001 0.000 0.287 2097 I C -0.400 175.739 176.117 0.036 0.000 1.023 2097 I CA -0.600 60.725 61.300 0.041 0.000 1.083 2097 I CB 2.722 40.714 38.000 -0.013 0.000 1.245 2097 I HN -0.298 nan 8.210 nan 0.000 0.434 2098 I N 5.704 126.296 120.570 0.038 0.000 2.342 2098 I HA 0.220 4.390 4.170 0.001 0.000 0.291 2098 I C 0.131 176.248 176.117 0.001 0.000 1.010 2098 I CA -0.251 61.061 61.300 0.019 0.000 1.308 2098 I CB 1.285 39.293 38.000 0.013 0.000 1.400 2098 I HN 0.590 nan 8.210 nan 0.000 0.488 2099 Q N 6.367 126.154 119.800 -0.023 0.000 2.257 2099 Q HA 0.410 4.751 4.340 0.001 0.000 0.255 2099 Q C -1.086 174.852 176.000 -0.105 0.000 0.920 2099 Q CA -0.738 55.032 55.803 -0.054 0.000 0.927 2099 Q CB 1.429 30.141 28.738 -0.043 0.000 1.229 2099 Q HN 0.475 nan 8.270 nan 0.000 0.433 2100 I N 6.572 127.082 120.570 -0.100 0.000 2.330 2100 I HA 0.333 4.503 4.170 0.001 0.000 0.289 2100 I C -2.175 173.857 176.117 -0.141 0.000 1.001 2100 I CA -2.627 58.607 61.300 -0.110 0.000 1.193 2100 I CB 0.887 38.850 38.000 -0.062 0.000 1.345 2100 I HN 0.500 nan 8.210 nan 0.000 0.461 2101 P HA 0.033 nan 4.420 nan 0.000 0.266 2101 P C 0.636 177.840 177.300 -0.161 0.000 1.193 2101 P CA 0.155 63.149 63.100 -0.177 0.000 0.770 2101 P CB 0.881 32.521 31.700 -0.101 0.000 0.836 2102 A N 2.726 125.376 122.820 -0.283 0.000 1.865 2102 A HA -0.227 4.094 4.320 0.001 0.000 0.217 2102 A C 1.715 179.305 177.584 0.009 0.000 1.191 2102 A CA 1.783 53.666 52.037 -0.257 0.000 0.623 2102 A CB -1.678 17.070 19.000 -0.419 0.000 0.826 2102 A HN 0.508 nan 8.150 nan 0.000 0.444 2103 F N -0.184 119.793 119.950 0.045 0.000 2.333 2103 F HA -0.022 4.506 4.527 0.001 0.000 0.300 2103 F C 1.653 177.567 175.800 0.190 0.000 1.083 2103 F CA 0.468 58.589 58.000 0.202 0.000 1.395 2103 F CB -0.642 38.427 39.000 0.114 0.000 1.056 2103 F HN 0.104 nan 8.300 nan 0.000 0.529 2104 L N -0.344 121.037 121.223 0.263 0.000 2.700 2104 L HA 0.082 4.423 4.340 0.001 0.000 0.234 2104 L C 1.912 178.853 176.870 0.118 0.000 1.156 2104 L CA -0.047 54.891 54.840 0.164 0.000 0.946 2104 L CB -0.755 41.361 42.059 0.095 0.000 1.216 2104 L HN 0.245 nan 8.230 nan 0.000 0.493 2105 C N -1.470 117.911 119.300 0.135 0.000 2.430 2105 C HA 0.002 4.463 4.460 0.001 0.000 0.288 2105 C C 2.171 177.219 174.990 0.098 0.000 1.448 2105 C CA -0.058 59.003 59.018 0.072 0.000 1.784 2105 C CB -0.899 26.842 27.740 0.002 0.000 1.776 2105 C HN 0.469 nan 8.230 nan 0.000 0.547 2106 R N 0.000 120.590 120.500 0.150 0.000 2.397 2106 R HA 0.150 4.490 4.340 0.001 0.000 0.241 2106 R C 0.084 176.417 176.300 0.055 0.000 0.914 2106 R CA 0.005 56.167 56.100 0.103 0.000 1.071 2106 R CB -0.004 30.371 30.300 0.125 0.000 1.116 2106 R HN 0.571 nan 8.270 nan 0.000 0.524 2107 Q N 1.275 121.109 119.800 0.057 0.000 2.402 2107 Q HA 0.079 4.420 4.340 0.001 0.000 0.238 2107 Q C 0.791 176.810 176.000 0.031 0.000 1.126 2107 Q CA 0.249 56.076 55.803 0.039 0.000 0.904 2107 Q CB 1.000 29.766 28.738 0.047 0.000 1.357 2107 Q HN 0.057 nan 8.270 nan 0.000 0.491 2108 T N 1.583 116.150 114.554 0.022 0.000 2.620 2108 T HA -0.200 4.150 4.350 0.001 0.000 0.267 2108 T C 0.939 175.660 174.700 0.035 0.000 1.044 2108 T CA 1.846 63.959 62.100 0.021 0.000 1.161 2108 T CB 0.050 68.921 68.868 0.005 0.000 0.862 2108 T HN 0.493 nan 8.240 nan 0.000 0.438 2109 D N 0.670 121.093 120.400 0.038 0.000 2.149 2109 D HA -0.042 4.598 4.640 0.001 0.000 0.198 2109 D C 2.030 178.356 176.300 0.043 0.000 0.990 2109 D CA 0.561 54.590 54.000 0.048 0.000 0.839 2109 D CB -0.418 40.414 40.800 0.053 0.000 0.948 2109 D HN 0.197 nan 8.370 nan 0.000 0.460 2110 L N 0.481 121.724 121.223 0.033 0.000 2.056 2110 L HA -0.067 4.274 4.340 0.001 0.000 0.207 2110 L C 2.215 179.092 176.870 0.013 0.000 1.078 2110 L CA 1.194 56.043 54.840 0.015 0.000 0.749 2110 L CB -0.401 41.662 42.059 0.007 0.000 0.901 2110 L HN -0.015 nan 8.230 nan 0.000 0.433 2111 L N -1.391 119.845 121.223 0.023 0.000 2.046 2111 L HA -0.232 4.109 4.340 0.001 0.000 0.208 2111 L C 2.444 179.338 176.870 0.041 0.000 1.077 2111 L CA 1.229 56.085 54.840 0.027 0.000 0.747 2111 L CB -0.536 41.542 42.059 0.031 0.000 0.896 2111 L HN 0.281 nan 8.230 nan 0.000 0.432 2112 L N -0.596 120.660 121.223 0.056 0.000 2.056 2112 L HA -0.157 4.184 4.340 0.001 0.000 0.207 2112 L C 2.879 179.779 176.870 0.050 0.000 1.078 2112 L CA 1.051 55.934 54.840 0.071 0.000 0.749 2112 L CB -0.753 41.364 42.059 0.096 0.000 0.901 2112 L HN 0.226 nan 8.230 nan 0.000 0.433 2113 A N 0.123 122.968 122.820 0.041 0.000 1.933 2113 A HA -0.165 4.155 4.320 0.001 0.000 0.218 2113 A C 2.512 180.107 177.584 0.020 0.000 1.175 2113 A CA 1.793 53.849 52.037 0.032 0.000 0.628 2113 A CB -0.604 18.413 19.000 0.028 0.000 0.814 2113 A HN 0.408 nan 8.150 nan 0.000 0.444 2114 A N -0.255 122.573 122.820 0.014 0.000 1.897 2114 A HA 0.254 4.575 4.320 0.001 0.000 0.215 2114 A C 2.497 180.094 177.584 0.021 0.000 1.181 2114 A CA 1.799 53.842 52.037 0.010 0.000 0.620 2114 A CB -0.996 18.006 19.000 0.004 0.000 0.821 2114 A HN 1.034 nan 8.150 nan 0.000 0.443 2115 A N -0.062 122.774 122.820 0.027 0.000 1.933 2115 A HA -0.181 4.140 4.320 0.001 0.000 0.218 2115 A C 2.109 179.704 177.584 0.018 0.000 1.175 2115 A CA 1.988 54.042 52.037 0.027 0.000 0.628 2115 A CB -0.459 18.563 19.000 0.036 0.000 0.814 2115 A HN 0.554 nan 8.150 nan 0.000 0.444 2116 K N -0.017 120.394 120.400 0.018 0.000 2.209 2116 K HA -0.149 4.171 4.320 0.001 0.000 0.204 2116 K C 1.929 178.536 176.600 0.012 0.000 1.048 2116 K CA 1.819 58.112 56.287 0.011 0.000 0.940 2116 K CB -0.341 32.169 32.500 0.018 0.000 0.729 2116 K HN 0.629 nan 8.250 nan 0.000 0.451 2117 T N -3.079 111.485 114.554 0.017 0.000 3.007 2117 T HA 0.022 4.372 4.350 0.001 0.000 0.270 2117 T C 1.492 176.203 174.700 0.017 0.000 1.107 2117 T CA 1.134 63.244 62.100 0.017 0.000 1.118 2117 T CB -0.316 68.563 68.868 0.018 0.000 0.889 2117 T HN 0.451 nan 8.240 nan 0.000 0.506 2118 G N 1.242 110.052 108.800 0.017 0.000 2.225 2118 G HA2 -0.247 3.713 3.960 0.001 0.000 0.254 2118 G HA3 -0.247 3.713 3.960 0.001 0.000 0.254 2118 G C 0.400 175.316 174.900 0.027 0.000 0.988 2118 G CA 0.018 45.129 45.100 0.018 0.000 0.625 2118 G HN 0.637 nan 8.290 nan 0.000 0.527 2119 R N 0.768 121.288 120.500 0.032 0.000 2.652 2119 R HA 0.680 5.021 4.340 0.001 0.000 0.271 2119 R C 0.917 177.253 176.300 0.060 0.000 1.129 2119 R CA 0.301 56.428 56.100 0.045 0.000 1.200 2119 R CB -0.067 30.259 30.300 0.043 0.000 1.146 2119 R HN 0.712 nan 8.270 nan 0.000 0.581 2120 A N 0.655 123.527 122.820 0.087 0.000 2.351 2120 A HA 0.438 4.758 4.320 0.001 0.000 0.257 2120 A C -0.366 177.296 177.584 0.129 0.000 1.087 2120 A CA -0.416 51.702 52.037 0.136 0.000 0.798 2120 A CB 0.651 19.788 19.000 0.228 0.000 1.033 2120 A HN 0.324 nan 8.150 nan 0.000 0.488 2121 V N 2.340 122.347 119.914 0.156 0.000 2.531 2121 V HA 0.352 4.472 4.120 0.001 0.000 0.301 2121 V C -0.104 176.097 176.094 0.179 0.000 1.034 2121 V CA -0.748 61.624 62.300 0.119 0.000 0.865 2121 V CB 1.674 33.539 31.823 0.070 0.000 0.995 2121 V HN 0.972 nan 8.190 nan 0.000 0.424 2122 N N 3.333 122.098 118.700 0.109 0.000 2.476 2122 N HA 0.548 5.288 4.740 0.001 0.000 0.257 2122 N C -1.313 174.201 175.510 0.007 0.000 0.970 2122 N CA -0.402 52.702 53.050 0.090 0.000 0.938 2122 N CB 1.736 40.216 38.487 -0.011 0.000 1.144 2122 N HN 0.459 nan 8.380 nan 0.000 0.500 2123 V N 4.160 124.079 119.914 0.009 0.000 2.370 2123 V HA 0.246 4.367 4.120 0.001 0.000 0.279 2123 V C 0.135 176.167 176.094 -0.102 0.000 1.029 2123 V CA -0.807 61.466 62.300 -0.045 0.000 0.870 2123 V CB 1.065 32.875 31.823 -0.021 0.000 0.984 2123 V HN 0.571 nan 8.190 nan 0.000 0.451 2124 K N 3.960 124.256 120.400 -0.172 0.000 2.383 2124 K HA 0.149 4.470 4.320 0.001 0.000 0.286 2124 K C 0.102 176.566 176.600 -0.227 0.000 1.051 2124 K CA -0.182 55.953 56.287 -0.253 0.000 0.974 2124 K CB 0.616 32.906 32.500 -0.350 0.000 0.968 2124 K HN 0.620 nan 8.250 nan 0.000 0.475 2125 K N 1.846 122.110 120.400 -0.227 0.000 2.412 2125 K HA 0.063 4.384 4.320 0.001 0.000 0.284 2125 K C 0.325 176.711 176.600 -0.356 0.000 1.046 2125 K CA -0.076 56.065 56.287 -0.244 0.000 0.999 2125 K CB 0.342 32.719 32.500 -0.205 0.000 0.941 2125 K HN 0.704 nan 8.250 nan 0.000 0.474 2126 G N 3.285 111.782 108.800 -0.505 0.000 2.474 2126 G HA2 -0.109 3.851 3.960 0.001 0.000 0.233 2126 G HA3 -0.109 3.851 3.960 0.001 0.000 0.233 2126 G C 0.183 174.613 174.900 -0.783 0.000 1.278 2126 G CA -0.393 44.174 45.100 -0.887 0.000 0.861 2126 G HN 0.813 nan 8.290 nan 0.000 0.567 2127 Q N 0.705 120.214 119.800 -0.485 0.000 2.437 2127 Q HA -0.032 4.308 4.340 0.001 0.000 0.210 2127 Q C 1.631 177.548 176.000 -0.138 0.000 0.972 2127 Q CA 1.285 56.969 55.803 -0.198 0.000 0.903 2127 Q CB -0.158 28.599 28.738 0.032 0.000 0.967 2127 Q HN 0.824 nan 8.270 nan 0.000 0.486 2128 F N -2.896 117.067 119.950 0.022 0.000 2.721 2128 F HA 0.348 4.875 4.527 0.001 0.000 0.301 2128 F C 0.264 176.048 175.800 -0.027 0.000 1.096 2128 F CA -0.842 57.160 58.000 0.004 0.000 1.308 2128 F CB -0.020 38.987 39.000 0.011 0.000 1.086 2128 F HN -0.127 nan 8.300 nan 0.000 0.587 2129 L N 1.784 122.828 121.223 -0.297 0.000 2.334 2129 L HA 0.716 5.057 4.340 0.001 0.000 0.277 2129 L C 0.296 177.032 176.870 -0.224 0.000 1.075 2129 L CA -1.002 53.736 54.840 -0.171 0.000 0.804 2129 L CB 1.108 42.998 42.059 -0.281 0.000 1.174 2129 L HN 0.226 nan 8.230 nan 0.000 0.438 2130 A N 5.237 127.895 122.820 -0.270 0.000 2.286 2130 A HA 0.586 4.906 4.320 0.001 0.000 0.286 2130 A C -1.891 175.296 177.584 -0.661 0.000 1.097 2130 A CA -1.145 50.537 52.037 -0.592 0.000 0.821 2130 A CB 0.002 18.521 19.000 -0.802 0.000 1.076 2130 A HN 0.726 nan 8.150 nan 0.000 0.490 2131 P HA -0.166 nan 4.420 nan 0.000 0.215 2131 P C 0.961 178.230 177.300 -0.053 0.000 1.157 2131 P CA 2.054 64.932 63.100 -0.370 0.000 0.868 2131 P CB -0.139 31.369 31.700 -0.322 0.000 0.788 2132 W N -0.341 121.100 121.300 0.235 0.000 2.465 2132 W HA -0.003 4.658 4.660 0.001 0.000 0.268 2132 W C 0.907 177.474 176.519 0.080 0.000 1.242 2132 W CA 0.607 58.141 57.345 0.315 0.000 1.248 2132 W CB -1.919 27.675 29.460 0.223 0.000 1.118 2132 W HN -0.110 nan 8.180 nan 0.000 0.587 2133 D N 0.852 121.264 120.400 0.020 0.000 2.371 2133 D HA -0.116 4.525 4.640 0.001 0.000 0.221 2133 D C 2.065 178.324 176.300 -0.069 0.000 0.986 2133 D CA 1.891 55.897 54.000 0.009 0.000 0.899 2133 D CB -0.463 40.327 40.800 -0.017 0.000 0.902 2133 D HN 0.404 nan 8.370 nan 0.000 0.530 2134 T N -2.205 112.318 114.554 -0.051 0.000 3.088 2134 T HA -0.011 4.339 4.350 0.001 0.000 0.259 2134 T C 1.705 176.189 174.700 -0.360 0.000 1.122 2134 T CA 0.311 62.371 62.100 -0.067 0.000 1.095 2134 T CB 0.255 69.207 68.868 0.141 0.000 0.930 2134 T HN 0.043 nan 8.240 nan 0.000 0.508 2135 K N 1.652 121.563 120.400 -0.815 0.000 2.032 2135 K HA -0.129 4.192 4.320 0.001 0.000 0.209 2135 K C 2.111 178.362 176.600 -0.582 0.000 1.048 2135 K CA 1.726 57.199 56.287 -1.356 0.000 0.927 2135 K CB -0.361 31.211 32.500 -1.546 0.000 0.712 2135 K HN 0.491 nan 8.250 nan 0.000 0.441 2136 N N -0.216 118.273 118.700 -0.351 0.000 2.223 2136 N HA -0.135 4.605 4.740 0.001 0.000 0.185 2136 N C 1.650 177.076 175.510 -0.139 0.000 1.016 2136 N CA 0.853 53.786 53.050 -0.195 0.000 0.863 2136 N CB 0.138 38.550 38.487 -0.126 0.000 0.983 2136 N HN -0.014 nan 8.380 nan 0.000 0.429 2137 V N 0.594 120.428 119.914 -0.133 0.000 2.343 2137 V HA -0.181 3.940 4.120 0.001 0.000 0.247 2137 V C 2.221 178.284 176.094 -0.052 0.000 1.051 2137 V CA 1.274 63.533 62.300 -0.067 0.000 1.036 2137 V CB -0.379 31.417 31.823 -0.045 0.000 0.654 2137 V HN 0.135 nan 8.190 nan 0.000 0.451 2138 V N 0.084 119.947 119.914 -0.086 0.000 2.295 2138 V HA -0.301 3.820 4.120 0.001 0.000 0.246 2138 V C 2.469 178.552 176.094 -0.019 0.000 1.049 2138 V CA 2.344 64.625 62.300 -0.032 0.000 1.024 2138 V CB -0.648 31.162 31.823 -0.021 0.000 0.648 2138 V HN 0.692 nan 8.190 nan 0.000 0.447 2139 E N 0.261 120.426 120.200 -0.058 0.000 2.118 2139 E HA -0.277 4.073 4.350 0.001 0.000 0.195 2139 E C 2.238 178.862 176.600 0.040 0.000 0.992 2139 E CA 1.456 57.847 56.400 -0.015 0.000 0.804 2139 E CB -0.047 29.618 29.700 -0.059 0.000 0.741 2139 E HN 0.584 nan 8.360 nan 0.000 0.458 2140 K N 0.133 120.541 120.400 0.013 0.000 2.026 2140 K HA -0.126 4.194 4.320 0.001 0.000 0.208 2140 K C 2.313 178.987 176.600 0.123 0.000 1.048 2140 K CA 1.346 57.664 56.287 0.051 0.000 0.929 2140 K CB -0.133 32.374 32.500 0.012 0.000 0.713 2140 K HN 0.212 nan 8.250 nan 0.000 0.439 2141 L N 1.098 122.366 121.223 0.074 0.000 2.046 2141 L HA -0.204 4.137 4.340 0.001 0.000 0.208 2141 L C 2.344 179.259 176.870 0.076 0.000 1.077 2141 L CA 1.375 56.257 54.840 0.070 0.000 0.747 2141 L CB -0.344 41.742 42.059 0.045 0.000 0.896 2141 L HN 0.142 nan 8.230 nan 0.000 0.432 2142 K N -0.463 119.984 120.400 0.078 0.000 2.057 2142 K HA -0.207 4.113 4.320 0.001 0.000 0.207 2142 K C 2.086 178.735 176.600 0.082 0.000 1.049 2142 K CA 1.525 57.851 56.287 0.065 0.000 0.931 2142 K CB -0.299 32.238 32.500 0.063 0.000 0.714 2142 K HN 0.109 nan 8.250 nan 0.000 0.440 2143 F N 1.226 121.173 119.950 -0.006 0.000 2.216 2143 F HA -0.094 4.434 4.527 0.001 0.000 0.300 2143 F C 1.789 177.589 175.800 0.001 0.000 1.085 2143 F CA 1.486 59.484 58.000 -0.003 0.000 1.326 2143 F CB -0.217 38.779 39.000 -0.007 0.000 1.027 2143 F HN -0.029 nan 8.300 nan 0.000 0.497 2144 G N -1.125 107.726 108.800 0.086 0.000 2.920 2144 G HA2 0.292 4.253 3.960 0.001 0.000 0.208 2144 G HA3 0.292 4.253 3.960 0.001 0.000 0.208 2144 G C 1.327 176.199 174.900 -0.048 0.000 1.159 2144 G CA 0.336 45.442 45.100 0.011 0.000 0.784 2144 G HN 0.915 nan 8.290 nan 0.000 0.535 2145 G N -1.339 107.426 108.800 -0.059 0.000 2.176 2145 G HA2 0.115 4.075 3.960 0.001 0.000 0.232 2145 G HA3 0.115 4.075 3.960 0.001 0.000 0.232 2145 G C 0.559 175.451 174.900 -0.014 0.000 0.986 2145 G CA 0.153 45.223 45.100 -0.049 0.000 0.643 2145 G HN 1.310 nan 8.290 nan 0.000 0.522 2146 A N -0.056 122.767 122.820 0.005 0.000 2.477 2146 A HA 0.701 5.022 4.320 0.001 0.000 0.246 2146 A C 1.062 178.650 177.584 0.008 0.000 1.078 2146 A CA 1.394 53.440 52.037 0.015 0.000 0.770 2146 A CB 0.569 19.585 19.000 0.027 0.000 1.011 2146 A HN 0.399 nan 8.150 nan 0.000 0.494 2147 K N 0.178 120.581 120.400 0.005 0.000 2.474 2147 K HA 0.113 4.433 4.320 0.001 0.000 0.202 2147 K C 0.159 176.744 176.600 -0.026 0.000 1.248 2147 K CA 0.293 56.577 56.287 -0.005 0.000 0.946 2147 K CB 0.449 32.947 32.500 -0.002 0.000 1.102 2147 K HN 0.815 nan 8.250 nan 0.000 0.541 2148 E N 1.789 121.976 120.200 -0.021 0.000 2.101 2148 E HA 0.278 4.628 4.350 0.001 0.000 0.260 2148 E C -1.290 175.253 176.600 -0.095 0.000 0.897 2148 E CA -0.302 56.054 56.400 -0.074 0.000 0.744 2148 E CB 0.618 30.330 29.700 0.020 0.000 1.140 2148 E HN 0.119 nan 8.360 nan 0.000 0.419 2149 I N 4.472 124.907 120.570 -0.224 0.000 2.433 2149 I HA 0.363 4.534 4.170 0.001 0.000 0.292 2149 I C -1.067 174.866 176.117 -0.306 0.000 1.001 2149 I CA -0.916 60.299 61.300 -0.141 0.000 1.119 2149 I CB 1.163 39.139 38.000 -0.040 0.000 1.289 2149 I HN 0.481 nan 8.210 nan 0.000 0.438 2150 Y N 5.524 125.834 120.300 0.016 0.000 2.499 2150 Y HA 0.665 5.215 4.550 0.001 0.000 0.347 2150 Y C -0.515 175.384 175.900 -0.002 0.000 0.987 2150 Y CA -0.850 57.253 58.100 0.004 0.000 1.044 2150 Y CB 1.883 40.334 38.460 -0.014 0.000 1.245 2150 Y HN 0.264 nan 8.280 nan 0.000 0.461 2151 L N 2.513 123.828 121.223 0.154 0.000 2.356 2151 L HA 0.595 4.936 4.340 0.001 0.000 0.277 2151 L C -0.701 176.184 176.870 0.025 0.000 0.996 2151 L CA -0.569 54.314 54.840 0.072 0.000 0.822 2151 L CB 2.134 44.246 42.059 0.089 0.000 1.256 2151 L HN 0.650 nan 8.230 nan 0.000 0.413 2152 T N 1.176 115.697 114.554 -0.055 0.000 2.779 2152 T HA 0.230 4.581 4.350 0.001 0.000 0.280 2152 T C -0.354 174.251 174.700 -0.160 0.000 0.987 2152 T CA -0.446 61.582 62.100 -0.121 0.000 0.966 2152 T CB 1.634 70.361 68.868 -0.236 0.000 0.933 2152 T HN 0.405 nan 8.240 nan 0.000 0.442 2153 E N 2.663 122.793 120.200 -0.116 0.000 2.223 2153 E HA 0.275 4.625 4.350 0.001 0.000 0.282 2153 E C 0.449 176.918 176.600 -0.218 0.000 1.046 2153 E CA -0.543 55.784 56.400 -0.122 0.000 0.857 2153 E CB 0.424 30.122 29.700 -0.003 0.000 1.055 2153 E HN 0.606 nan 8.360 nan 0.000 0.409 2154 R N 3.119 123.474 120.500 -0.241 0.000 2.642 2154 R HA 0.508 4.849 4.340 0.001 0.000 0.435 2154 R C 0.181 176.372 176.300 -0.183 0.000 1.046 2154 R CA -0.194 55.748 56.100 -0.264 0.000 1.103 2154 R CB 0.115 30.211 30.300 -0.341 0.000 1.425 2154 R HN 0.627 nan 8.270 nan 0.000 0.586 2155 G N -0.069 108.633 108.800 -0.162 0.000 2.662 2155 G HA2 -0.026 3.935 3.960 0.001 0.000 0.686 2155 G HA3 -0.026 3.935 3.960 0.001 0.000 0.686 2155 G C -0.901 173.923 174.900 -0.127 0.000 1.271 2155 G CA -0.465 44.558 45.100 -0.128 0.000 0.816 2155 G HN 0.184 nan 8.290 nan 0.000 0.608 2156 T N 0.874 115.373 114.554 -0.092 0.000 2.893 2156 T HA 0.643 4.993 4.350 0.001 0.000 0.293 2156 T C 0.409 175.128 174.700 0.031 0.000 1.027 2156 T CA -0.025 62.038 62.100 -0.062 0.000 0.988 2156 T CB 1.685 70.502 68.868 -0.085 0.000 1.043 2156 T HN 0.891 nan 8.240 nan 0.000 0.461 2157 T N 3.090 117.681 114.554 0.062 0.000 2.822 2157 T HA 0.126 4.477 4.350 0.001 0.000 0.288 2157 T C -0.684 174.117 174.700 0.168 0.000 0.991 2157 T CA 0.520 62.688 62.100 0.113 0.000 1.176 2157 T CB -0.473 68.461 68.868 0.111 0.000 0.951 2157 T HN 0.413 nan 8.240 nan 0.000 0.526 2158 F N 4.160 124.100 119.950 -0.018 0.000 2.564 2158 F HA 0.527 5.054 4.527 0.001 0.000 0.368 2158 F C 0.743 176.509 175.800 -0.056 0.000 1.127 2158 F CA 0.004 57.980 58.000 -0.039 0.000 1.170 2158 F CB -0.175 38.804 39.000 -0.036 0.000 1.397 2158 F HN 0.921 nan 8.300 nan 0.000 0.493 2159 G N 2.878 111.442 108.800 -0.393 0.000 2.598 2159 G HA2 -0.291 3.670 3.960 0.001 0.000 0.244 2159 G HA3 -0.291 3.670 3.960 0.001 0.000 0.244 2159 G C -1.301 173.433 174.900 -0.276 0.000 1.302 2159 G CA -0.376 44.428 45.100 -0.492 0.000 0.903 2159 G HN 0.487 nan 8.290 nan 0.000 0.575 2160 Y N 1.710 121.969 120.300 -0.068 0.000 2.310 2160 Y HA 0.466 5.017 4.550 0.001 0.000 0.326 2160 Y C 1.463 177.370 175.900 0.012 0.000 1.151 2160 Y CA -0.497 57.592 58.100 -0.018 0.000 1.195 2160 Y CB 0.946 39.395 38.460 -0.019 0.000 1.210 2160 Y HN 0.638 nan 8.280 nan 0.000 0.483 2161 N N 1.879 120.709 118.700 0.217 0.000 2.721 2161 N HA -0.324 4.417 4.740 0.001 0.000 0.249 2161 N C -0.778 174.812 175.510 0.133 0.000 1.072 2161 N CA 1.043 54.181 53.050 0.147 0.000 0.710 2161 N CB -1.078 37.480 38.487 0.118 0.000 0.993 2161 N HN 0.890 nan 8.380 nan 0.000 0.547 2162 N N -0.414 118.371 118.700 0.142 0.000 2.405 2162 N HA 0.546 5.286 4.740 0.001 0.000 0.274 2162 N C -1.511 174.101 175.510 0.170 0.000 1.170 2162 N CA -0.546 52.596 53.050 0.154 0.000 0.848 2162 N CB 1.581 40.180 38.487 0.187 0.000 1.629 2162 N HN -0.022 nan 8.380 nan 0.000 0.481 2163 L N 2.035 123.339 121.223 0.134 0.000 2.381 2163 L HA 0.680 5.021 4.340 0.001 0.000 0.268 2163 L C -0.767 176.113 176.870 0.017 0.000 0.997 2163 L CA -1.000 53.893 54.840 0.088 0.000 0.818 2163 L CB 2.080 44.164 42.059 0.043 0.000 1.310 2163 L HN 0.275 nan 8.230 nan 0.000 0.416 2164 V N 2.950 122.828 119.914 -0.060 0.000 2.769 2164 V HA 0.538 4.659 4.120 0.001 0.000 0.312 2164 V C -0.717 175.256 176.094 -0.202 0.000 1.061 2164 V CA -0.498 61.669 62.300 -0.221 0.000 0.931 2164 V CB 2.548 34.059 31.823 -0.520 0.000 1.010 2164 V HN 0.413 nan 8.190 nan 0.000 0.433 2165 V N 5.257 125.033 119.914 -0.231 0.000 2.333 2165 V HA 0.354 4.475 4.120 0.001 0.000 0.274 2165 V C -0.262 175.584 176.094 -0.413 0.000 1.028 2165 V CA -0.450 61.634 62.300 -0.360 0.000 0.851 2165 V CB 1.329 32.849 31.823 -0.505 0.000 1.000 2165 V HN 0.911 nan 8.190 nan 0.000 0.456 2166 D N 4.074 124.272 120.400 -0.337 0.000 2.411 2166 D HA 0.234 4.875 4.640 0.001 0.000 0.225 2166 D C 0.663 176.818 176.300 -0.242 0.000 1.156 2166 D CA -0.330 53.543 54.000 -0.211 0.000 0.874 2166 D CB 0.637 41.346 40.800 -0.153 0.000 1.034 2166 D HN 0.404 nan 8.370 nan 0.000 0.502 2167 F N 2.047 121.948 119.950 -0.082 0.000 2.641 2167 F HA 0.023 4.550 4.527 0.001 0.000 0.298 2167 F C 2.235 177.993 175.800 -0.069 0.000 1.146 2167 F CA 0.359 58.307 58.000 -0.087 0.000 1.464 2167 F CB 0.077 39.010 39.000 -0.112 0.000 1.101 2167 F HN 0.281 nan 8.300 nan 0.000 0.585 2168 R N -0.246 120.295 120.500 0.068 0.000 2.189 2168 R HA -0.126 4.215 4.340 0.001 0.000 0.223 2168 R C 2.488 178.794 176.300 0.010 0.000 1.092 2168 R CA 1.257 57.386 56.100 0.049 0.000 0.989 2168 R CB -0.489 29.848 30.300 0.061 0.000 0.876 2168 R HN 0.347 nan 8.270 nan 0.000 0.457 2169 S N 0.729 116.402 115.700 -0.045 0.000 2.382 2169 S HA -0.126 4.344 4.470 0.001 0.000 0.228 2169 S C 1.875 176.438 174.600 -0.061 0.000 1.027 2169 S CA 0.797 58.949 58.200 -0.080 0.000 0.991 2169 S CB -0.189 62.929 63.200 -0.137 0.000 0.823 2169 S HN 0.064 nan 8.310 nan 0.000 0.469 2170 L N 2.545 123.747 121.223 -0.035 0.000 1.970 2170 L HA 0.063 4.403 4.340 0.001 0.000 0.212 2170 L C -0.507 176.315 176.870 -0.079 0.000 1.071 2170 L CA 1.901 56.721 54.840 -0.035 0.000 0.751 2170 L CB -1.795 40.271 42.059 0.012 0.000 0.889 2170 L HN 0.239 nan 8.230 nan 0.000 0.432 2171 P HA -0.124 nan 4.420 nan 0.000 0.217 2171 P C 2.053 179.259 177.300 -0.156 0.000 1.150 2171 P CA 1.359 64.403 63.100 -0.094 0.000 0.832 2171 P CB 0.060 31.732 31.700 -0.046 0.000 0.787 2172 I N -1.640 118.853 120.570 -0.129 0.000 2.163 2172 I HA -0.229 3.941 4.170 0.001 0.000 0.240 2172 I C 2.336 178.154 176.117 -0.498 0.000 1.081 2172 I CA 1.627 62.812 61.300 -0.191 0.000 1.353 2172 I CB -0.607 37.410 38.000 0.028 0.000 1.054 2172 I HN -0.092 nan 8.210 nan 0.000 0.407 2173 M N 0.168 119.574 119.600 -0.323 0.000 2.296 2173 M HA -0.167 4.314 4.480 0.001 0.000 0.265 2173 M C 2.130 178.091 176.300 -0.565 0.000 1.064 2173 M CA 1.206 56.276 55.300 -0.383 0.000 1.109 2173 M CB -0.390 32.180 32.600 -0.051 0.000 1.396 2173 M HN 0.007 nan 8.290 nan 0.000 0.430 2174 K N 1.156 121.321 120.400 -0.391 0.000 2.360 2174 K HA -0.131 4.190 4.320 0.001 0.000 0.201 2174 K C 1.629 178.012 176.600 -0.362 0.000 1.046 2174 K CA 1.347 57.462 56.287 -0.287 0.000 0.945 2174 K CB -0.150 32.238 32.500 -0.186 0.000 0.750 2174 K HN 0.437 nan 8.250 nan 0.000 0.464 2175 Q N -1.214 118.201 119.800 -0.642 0.000 2.291 2175 Q HA -0.116 4.225 4.340 0.001 0.000 0.205 2175 Q C 0.470 176.311 176.000 -0.266 0.000 0.970 2175 Q CA 1.531 57.019 55.803 -0.525 0.000 0.876 2175 Q CB -0.046 28.241 28.738 -0.752 0.000 0.935 2175 Q HN 0.639 nan 8.270 nan 0.000 0.455 2176 W N -2.185 119.119 121.300 0.006 0.000 2.304 2176 W HA 0.727 5.388 4.660 0.001 0.000 0.326 2176 W C -0.241 176.264 176.519 -0.024 0.000 0.920 2176 W CA -0.326 57.017 57.345 -0.003 0.000 1.518 2176 W CB 0.209 29.675 29.460 0.010 0.000 1.112 2176 W HN -0.082 nan 8.180 nan 0.000 0.528 2177 A N 0.578 123.442 122.820 0.073 0.000 2.567 2177 A HA 0.534 4.854 4.320 0.001 0.000 0.291 2177 A C -1.105 176.451 177.584 -0.047 0.000 1.048 2177 A CA -1.258 50.800 52.037 0.033 0.000 0.661 2177 A CB 0.773 19.847 19.000 0.123 0.000 1.288 2177 A HN 0.036 nan 8.150 nan 0.000 0.424 2178 K N 0.435 120.770 120.400 -0.109 0.000 2.326 2178 K HA 0.489 4.810 4.320 0.001 0.000 0.275 2178 K C -0.749 175.881 176.600 0.050 0.000 1.018 2178 K CA -0.182 56.067 56.287 -0.063 0.000 0.962 2178 K CB 1.128 33.528 32.500 -0.167 0.000 0.953 2178 K HN 0.392 nan 8.250 nan 0.000 0.475 2179 V N 4.862 124.807 119.914 0.052 0.000 2.459 2179 V HA 0.337 4.457 4.120 0.001 0.000 0.295 2179 V C -0.118 176.020 176.094 0.074 0.000 1.029 2179 V CA -0.869 61.465 62.300 0.057 0.000 0.874 2179 V CB 1.308 33.135 31.823 0.007 0.000 0.985 2179 V HN 0.579 nan 8.190 nan 0.000 0.438 2180 I N 4.326 124.937 120.570 0.068 0.000 2.474 2180 I HA 0.376 4.546 4.170 0.001 0.000 0.294 2180 I C -0.825 175.335 176.117 0.073 0.000 1.005 2180 I CA -0.801 60.522 61.300 0.037 0.000 1.113 2180 I CB 1.772 39.762 38.000 -0.017 0.000 1.289 2180 I HN 0.693 nan 8.210 nan 0.000 0.436 2181 Y N 5.053 125.356 120.300 0.006 0.000 2.342 2181 Y HA 0.306 4.857 4.550 0.001 0.000 0.338 2181 Y C 0.044 175.979 175.900 0.058 0.000 0.965 2181 Y CA -0.763 57.351 58.100 0.024 0.000 1.159 2181 Y CB 0.780 39.298 38.460 0.097 0.000 1.157 2181 Y HN 0.499 nan 8.280 nan 0.000 0.486 2182 D N 5.264 125.260 120.400 -0.675 0.000 2.374 2182 D HA 0.194 4.834 4.640 0.001 0.000 0.240 2182 D C 0.606 176.418 176.300 -0.814 0.000 1.229 2182 D CA 0.397 54.087 54.000 -0.516 0.000 0.895 2182 D CB 1.245 41.728 40.800 -0.528 0.000 1.046 2182 D HN 0.816 nan 8.370 nan 0.000 0.498 2183 A N 2.931 125.479 122.820 -0.453 0.000 2.119 2183 A HA -0.077 4.244 4.320 0.001 0.000 0.216 2183 A C 1.866 179.442 177.584 -0.014 0.000 1.152 2183 A CA 1.511 53.443 52.037 -0.176 0.000 0.708 2183 A CB -0.135 18.980 19.000 0.191 0.000 0.805 2183 A HN 0.612 nan 8.150 nan 0.000 0.460 2184 T N -4.468 110.076 114.554 -0.017 0.000 3.042 2184 T HA 0.068 4.418 4.350 0.001 0.000 0.245 2184 T C 1.640 176.275 174.700 -0.108 0.000 1.029 2184 T CA 1.066 63.139 62.100 -0.045 0.000 1.120 2184 T CB -0.479 68.341 68.868 -0.081 0.000 0.917 2184 T HN 0.530 nan 8.240 nan 0.000 0.467 2185 H N 1.290 120.327 119.070 -0.055 0.000 2.470 2185 H HA 0.287 4.843 4.556 0.001 0.000 0.289 2185 H C 2.425 177.696 175.328 -0.094 0.000 1.033 2185 H CA 1.132 57.127 56.048 -0.089 0.000 1.331 2185 H CB 0.046 29.702 29.762 -0.177 0.000 1.414 2185 H HN 0.279 nan 8.280 nan 0.000 0.545 2186 S N 0.134 115.822 115.700 -0.019 0.000 2.442 2186 S HA -0.104 4.367 4.470 0.001 0.000 0.236 2186 S C 1.859 176.486 174.600 0.044 0.000 1.007 2186 S CA 1.228 59.413 58.200 -0.024 0.000 0.965 2186 S CB -0.055 63.114 63.200 -0.053 0.000 0.773 2186 S HN 0.450 nan 8.310 nan 0.000 0.504 2187 V N -0.001 119.960 119.914 0.077 0.000 3.427 2187 V HA 0.260 4.380 4.120 0.001 0.000 0.305 2187 V C 0.373 176.533 176.094 0.111 0.000 1.412 2187 V CA -0.571 61.802 62.300 0.121 0.000 1.086 2187 V CB -0.766 31.181 31.823 0.208 0.000 0.964 2187 V HN 0.486 nan 8.190 nan 0.000 0.439 2188 Q N 1.543 121.388 119.800 0.076 0.000 2.293 2188 Q HA 0.543 4.883 4.340 0.001 0.000 0.251 2188 Q C -0.833 175.219 176.000 0.086 0.000 0.930 2188 Q CA -0.575 55.271 55.803 0.072 0.000 0.893 2188 Q CB 1.540 30.312 28.738 0.057 0.000 1.215 2188 Q HN 0.567 nan 8.270 nan 0.000 0.425 2189 L N 4.153 125.430 121.223 0.090 0.000 2.255 2189 L HA 0.395 4.736 4.340 0.001 0.000 0.289 2189 L C -2.080 174.848 176.870 0.095 0.000 1.046 2189 L CA -2.290 52.608 54.840 0.097 0.000 0.816 2189 L CB 0.757 42.874 42.059 0.097 0.000 1.197 2189 L HN 0.544 nan 8.230 nan 0.000 0.427 2190 P HA 0.021 nan 4.420 nan 0.000 0.262 2190 P C 0.661 178.023 177.300 0.102 0.000 1.182 2190 P CA 0.531 63.703 63.100 0.119 0.000 0.761 2190 P CB 0.542 32.328 31.700 0.144 0.000 0.795 2200 M N 0.368 120.029 119.600 0.101 0.000 2.081 2200 M HA 0.125 4.605 4.480 0.001 0.000 0.261 2200 M C 2.411 178.766 176.300 0.093 0.000 1.075 2200 M CA 1.668 57.072 55.300 0.173 0.000 1.133 2200 M CB -0.270 32.401 32.600 0.119 0.000 1.330 2200 M HN 0.181 nan 8.290 nan 0.000 0.414 2201 R N 1.316 121.820 120.500 0.008 0.000 2.117 2201 R HA -0.213 4.127 4.340 0.001 0.000 0.243 2201 R C 1.984 178.252 176.300 -0.054 0.000 1.143 2201 R CA 2.174 58.267 56.100 -0.011 0.000 0.968 2201 R CB -0.353 29.931 30.300 -0.026 0.000 0.863 2201 R HN 0.597 nan 8.270 nan 0.000 0.444 2202 E N -0.730 119.342 120.200 -0.214 0.000 2.333 2202 E HA -0.202 4.148 4.350 0.001 0.000 0.198 2202 E C 1.092 177.505 176.600 -0.312 0.000 1.007 2202 E CA 1.075 57.281 56.400 -0.322 0.000 0.845 2202 E CB -0.242 29.137 29.700 -0.534 0.000 0.766 2202 E HN 0.510 nan 8.360 nan 0.000 0.507 2203 F N 0.508 120.513 119.950 0.091 0.000 2.749 2203 F HA 0.277 4.804 4.527 0.001 0.000 0.300 2203 F C 1.919 177.810 175.800 0.152 0.000 1.103 2203 F CA -0.431 57.633 58.000 0.106 0.000 1.342 2203 F CB 0.110 39.165 39.000 0.092 0.000 1.098 2203 F HN -0.089 nan 8.300 nan 0.000 0.586 2204 I N -0.236 120.501 120.570 0.277 0.000 2.099 2204 I HA -0.344 3.826 4.170 0.001 0.000 0.239 2204 I C 2.475 178.802 176.117 0.351 0.000 1.066 2204 I CA 1.409 62.870 61.300 0.270 0.000 1.324 2204 I CB -0.464 37.634 38.000 0.163 0.000 1.037 2204 I HN 0.104 nan 8.210 nan 0.000 0.401 2205 F N 2.175 122.196 119.950 0.118 0.000 2.102 2205 F HA -0.072 4.455 4.527 0.001 0.000 0.298 2205 F C -0.427 175.432 175.800 0.097 0.000 1.105 2205 F CA 1.055 59.112 58.000 0.095 0.000 1.239 2205 F CB -2.141 36.891 39.000 0.053 0.000 0.991 2205 F HN -0.018 nan 8.300 nan 0.000 0.474 2206 P HA -0.180 nan 4.420 nan 0.000 0.215 2206 P C 2.197 179.531 177.300 0.056 0.000 1.157 2206 P CA 1.778 64.895 63.100 0.030 0.000 0.868 2206 P CB -0.118 31.656 31.700 0.123 0.000 0.788 2207 L N -1.604 119.733 121.223 0.189 0.000 2.217 2207 L HA -0.061 4.280 4.340 0.001 0.000 0.211 2207 L C 2.412 179.356 176.870 0.124 0.000 1.107 2207 L CA 0.924 55.886 54.840 0.202 0.000 0.783 2207 L CB -0.604 41.691 42.059 0.393 0.000 0.919 2207 L HN -0.030 nan 8.230 nan 0.000 0.442 2208 I N -0.118 120.614 120.570 0.270 0.000 2.439 2208 I HA -0.234 3.937 4.170 0.001 0.000 0.251 2208 I C 2.742 178.924 176.117 0.110 0.000 1.139 2208 I CA 0.953 62.423 61.300 0.284 0.000 1.438 2208 I CB -0.014 38.236 38.000 0.416 0.000 1.085 2208 I HN 0.215 nan 8.210 nan 0.000 0.427 2209 R N 0.507 121.036 120.500 0.048 0.000 2.092 2209 R HA -0.104 4.236 4.340 0.001 0.000 0.231 2209 R C 2.338 178.544 176.300 -0.157 0.000 1.119 2209 R CA 1.338 57.402 56.100 -0.061 0.000 0.970 2209 R CB -0.427 29.767 30.300 -0.175 0.000 0.864 2209 R HN 0.396 nan 8.270 nan 0.000 0.440 2210 A N 1.472 124.126 122.820 -0.277 0.000 1.902 2210 A HA -0.102 4.219 4.320 0.001 0.000 0.217 2210 A C 2.408 179.660 177.584 -0.553 0.000 1.181 2210 A CA 1.626 53.339 52.037 -0.541 0.000 0.623 2210 A CB -0.608 17.816 19.000 -0.959 0.000 0.818 2210 A HN 0.376 nan 8.150 nan 0.000 0.443 2211 A N -0.583 121.990 122.820 -0.411 0.000 1.908 2211 A HA -0.064 4.256 4.320 0.001 0.000 0.218 2211 A C 2.221 179.765 177.584 -0.067 0.000 1.181 2211 A CA 1.994 53.921 52.037 -0.183 0.000 0.627 2211 A CB -0.942 17.872 19.000 -0.311 0.000 0.818 2211 A HN 0.432 nan 8.150 nan 0.000 0.445 2212 V N -0.471 119.432 119.914 -0.019 0.000 2.548 2212 V HA -0.150 3.971 4.120 0.001 0.000 0.249 2212 V C 2.973 179.118 176.094 0.085 0.000 1.055 2212 V CA 1.649 63.979 62.300 0.049 0.000 1.065 2212 V CB -0.986 30.852 31.823 0.026 0.000 0.681 2212 V HN 0.619 nan 8.190 nan 0.000 0.462 2213 A N -0.221 122.596 122.820 -0.004 0.000 1.930 2213 A HA -0.115 4.205 4.320 0.001 0.000 0.217 2213 A C 2.353 179.985 177.584 0.080 0.000 1.175 2213 A CA 1.869 53.928 52.037 0.036 0.000 0.627 2213 A CB -0.471 18.478 19.000 -0.085 0.000 0.815 2213 A HN 0.337 nan 8.150 nan 0.000 0.443 2214 V N -0.928 118.944 119.914 -0.070 0.000 2.323 2214 V HA 0.280 4.400 4.120 0.001 0.000 0.244 2214 V C 1.328 177.295 176.094 -0.211 0.000 1.041 2214 V CA 1.344 63.592 62.300 -0.087 0.000 1.025 2214 V CB -1.217 30.545 31.823 -0.102 0.000 0.656 2214 V HN 1.248 nan 8.190 nan 0.000 0.451 2215 G N -0.335 108.247 108.800 -0.364 0.000 3.313 2215 G HA2 0.131 4.092 3.960 0.001 0.000 0.659 2215 G HA3 0.131 4.092 3.960 0.001 0.000 0.659 2215 G C -0.786 173.888 174.900 -0.376 0.000 1.286 2215 G CA -0.639 43.924 45.100 -0.895 0.000 1.077 2215 G HN 1.027 nan 8.290 nan 0.000 0.551 2216 C N 0.324 119.519 119.300 -0.174 0.000 3.323 2216 C HA 0.881 5.342 4.460 0.001 0.000 0.324 2216 C C 0.523 175.595 174.990 0.137 0.000 1.428 2216 C CA -0.472 58.556 59.018 0.017 0.000 1.368 2216 C CB 1.854 29.663 27.740 0.115 0.000 1.731 2216 C HN 0.630 nan 8.230 nan 0.000 0.455 2217 D N 0.266 120.709 120.400 0.073 0.000 2.360 2217 D HA 0.397 5.037 4.640 0.001 0.000 0.210 2217 D C 0.768 176.891 176.300 -0.295 0.000 1.047 2217 D CA 1.317 55.343 54.000 0.042 0.000 0.854 2217 D CB 1.020 41.858 40.800 0.063 0.000 0.936 2217 D HN 1.096 nan 8.370 nan 0.000 0.514 2218 G N -0.376 108.167 108.800 -0.428 0.000 2.356 2218 G HA2 0.405 4.365 3.960 0.001 0.000 0.294 2218 G HA3 0.405 4.365 3.960 0.001 0.000 0.294 2218 G C -1.810 172.874 174.900 -0.360 0.000 1.423 2218 G CA -0.523 44.027 45.100 -0.916 0.000 0.806 2218 G HN -0.058 nan 8.290 nan 0.000 0.527 2219 V N 0.108 119.843 119.914 -0.299 0.000 2.823 2219 V HA 0.757 4.878 4.120 0.001 0.000 0.312 2219 V C -1.276 174.828 176.094 0.017 0.000 1.072 2219 V CA -0.731 61.590 62.300 0.035 0.000 0.937 2219 V CB 1.987 33.932 31.823 0.204 0.000 1.013 2219 V HN 0.838 nan 8.190 nan 0.000 0.430 2220 F N 4.818 124.701 119.950 -0.111 0.000 2.467 2220 F HA 0.839 5.367 4.527 0.001 0.000 0.336 2220 F C -0.506 175.230 175.800 -0.107 0.000 1.123 2220 F CA -0.744 57.177 58.000 -0.130 0.000 0.964 2220 F CB 1.527 40.438 39.000 -0.148 0.000 1.136 2220 F HN 0.393 nan 8.300 nan 0.000 0.447 2221 M N 5.410 124.812 119.600 -0.330 0.000 2.271 2221 M HA 0.286 4.767 4.480 0.001 0.000 0.285 2221 M C -1.203 174.888 176.300 -0.347 0.000 1.059 2221 M CA -0.560 54.623 55.300 -0.195 0.000 0.940 2221 M CB 2.639 35.180 32.600 -0.100 0.000 1.636 2221 M HN 0.532 nan 8.290 nan 0.000 0.460 2222 E N 1.484 121.558 120.200 -0.209 0.000 2.289 2222 E HA 0.398 4.749 4.350 0.001 0.000 0.278 2222 E C -0.488 176.039 176.600 -0.123 0.000 1.032 2222 E CA -0.161 56.125 56.400 -0.190 0.000 0.854 2222 E CB 1.635 31.270 29.700 -0.109 0.000 1.046 2222 E HN 0.422 nan 8.360 nan 0.000 0.409 2223 T N 2.414 116.900 114.554 -0.115 0.000 2.909 2223 T HA 0.259 4.609 4.350 0.001 0.000 0.299 2223 T C -1.733 172.979 174.700 0.020 0.000 1.073 2223 T CA -0.637 61.432 62.100 -0.051 0.000 0.999 2223 T CB 1.085 69.907 68.868 -0.076 0.000 1.098 2223 T HN 0.469 nan 8.240 nan 0.000 0.477 2224 H N 3.604 122.641 119.070 -0.055 0.000 2.954 2224 H HA 0.347 4.904 4.556 0.001 0.000 0.361 2224 H C -2.509 172.804 175.328 -0.024 0.000 1.122 2224 H CA -1.651 54.378 56.048 -0.032 0.000 1.217 2224 H CB 2.702 32.446 29.762 -0.029 0.000 1.776 2224 H HN 0.318 nan 8.280 nan 0.000 0.533 2225 P HA -0.101 nan 4.420 nan 0.000 0.216 2225 P C -0.642 176.763 177.300 0.176 0.000 1.150 2225 P CA 1.515 64.640 63.100 0.041 0.000 0.843 2225 P CB 0.400 32.062 31.700 -0.064 0.000 0.787 2226 E N -2.581 117.889 120.200 0.449 0.000 3.117 2226 E HA 0.149 4.499 4.350 0.001 0.000 0.262 2226 E C -2.227 174.366 176.600 -0.012 0.000 1.202 2226 E CA -1.526 54.990 56.400 0.195 0.000 0.853 2226 E CB 1.001 30.780 29.700 0.132 0.000 1.426 2226 E HN 0.077 nan 8.360 nan 0.000 0.387 2227 P HA -0.306 nan 4.420 nan 0.000 0.218 2227 P C 1.221 178.383 177.300 -0.229 0.000 1.152 2227 P CA 1.491 64.456 63.100 -0.225 0.000 0.857 2227 P CB 0.155 31.807 31.700 -0.080 0.000 0.787 2228 E N 0.195 120.318 120.200 -0.129 0.000 2.333 2228 E HA -0.181 4.170 4.350 0.001 0.000 0.198 2228 E C 1.224 177.754 176.600 -0.117 0.000 1.007 2228 E CA 1.112 57.454 56.400 -0.098 0.000 0.845 2228 E CB -0.561 29.107 29.700 -0.054 0.000 0.766 2228 E HN 0.272 nan 8.360 nan 0.000 0.507 2229 K N 0.388 120.687 120.400 -0.167 0.000 2.358 2229 K HA 0.305 4.625 4.320 0.001 0.000 0.200 2229 K C 0.296 176.759 176.600 -0.228 0.000 1.030 2229 K CA 0.112 56.315 56.287 -0.142 0.000 1.097 2229 K CB 0.955 33.421 32.500 -0.057 0.000 0.862 2229 K HN 0.123 nan 8.250 nan 0.000 0.534 2230 A N 1.236 123.805 122.820 -0.418 0.000 2.520 2230 A HA 0.066 4.386 4.320 0.001 0.000 0.235 2230 A C 0.883 178.355 177.584 -0.185 0.000 1.065 2230 A CA 0.056 51.845 52.037 -0.412 0.000 0.764 2230 A CB 0.070 18.799 19.000 -0.452 0.000 1.002 2230 A HN 0.300 nan 8.150 nan 0.000 0.502 2231 L N 1.226 122.356 121.223 -0.154 0.000 2.591 2231 L HA 0.167 4.508 4.340 0.001 0.000 0.228 2231 L C 0.928 177.822 176.870 0.039 0.000 1.133 2231 L CA 0.554 55.303 54.840 -0.152 0.000 0.880 2231 L CB -0.265 41.459 42.059 -0.558 0.000 1.033 2231 L HN 0.650 nan 8.230 nan 0.000 0.450 2232 S N -0.815 114.912 115.700 0.044 0.000 2.537 2232 S HA 0.236 4.706 4.470 0.001 0.000 0.270 2232 S C -0.835 173.781 174.600 0.026 0.000 1.142 2232 S CA -0.694 57.561 58.200 0.092 0.000 0.870 2232 S CB 1.094 64.400 63.200 0.176 0.000 1.112 2232 S HN 0.273 nan 8.310 nan 0.000 0.466 2233 D N 1.777 122.190 120.400 0.022 0.000 2.706 2233 D HA -0.198 4.442 4.640 0.001 0.000 0.230 2233 D C 1.143 177.413 176.300 -0.049 0.000 1.184 2233 D CA 0.956 54.944 54.000 -0.020 0.000 0.628 2233 D CB -1.049 39.715 40.800 -0.061 0.000 1.019 2233 D HN 0.685 nan 8.370 nan 0.000 0.415 2234 A N -0.314 122.475 122.820 -0.052 0.000 1.972 2234 A HA -0.145 4.176 4.320 0.001 0.000 0.219 2234 A C 2.342 179.887 177.584 -0.064 0.000 1.169 2234 A CA 1.644 53.630 52.037 -0.086 0.000 0.635 2234 A CB 0.008 18.958 19.000 -0.083 0.000 0.810 2234 A HN 0.312 nan 8.150 nan 0.000 0.446 2235 S N -0.833 114.845 115.700 -0.037 0.000 2.489 2235 S HA -0.040 4.431 4.470 0.001 0.000 0.228 2235 S C 1.647 176.233 174.600 -0.022 0.000 0.995 2235 S CA 1.478 59.664 58.200 -0.022 0.000 0.934 2235 S CB -0.111 63.088 63.200 -0.001 0.000 0.771 2235 S HN 0.887 nan 8.310 nan 0.000 0.522 2236 T N -1.653 112.879 114.554 -0.038 0.000 3.004 2236 T HA 0.261 4.612 4.350 0.001 0.000 0.266 2236 T C 0.288 174.954 174.700 -0.056 0.000 0.986 2236 T CA -0.339 61.737 62.100 -0.041 0.000 0.902 2236 T CB 0.058 68.893 68.868 -0.055 0.000 1.118 2236 T HN 0.113 nan 8.240 nan 0.000 0.522 2237 Q N 1.371 121.134 119.800 -0.062 0.000 2.311 2237 Q HA 0.370 4.711 4.340 0.001 0.000 0.272 2237 Q C -0.731 175.250 176.000 -0.031 0.000 1.012 2237 Q CA -0.489 55.284 55.803 -0.050 0.000 0.891 2237 Q CB 1.084 29.802 28.738 -0.033 0.000 1.201 2237 Q HN 0.312 nan 8.270 nan 0.000 0.391 2238 L N 5.953 127.158 121.223 -0.031 0.000 2.410 2238 L HA 0.231 4.571 4.340 0.001 0.000 0.273 2238 L C -2.346 174.516 176.870 -0.013 0.000 1.152 2238 L CA -1.372 53.450 54.840 -0.030 0.000 0.855 2238 L CB 0.590 42.621 42.059 -0.048 0.000 1.129 2238 L HN 0.398 nan 8.230 nan 0.000 0.463 2239 P HA 0.009 nan 4.420 nan 0.000 0.267 2239 P C 0.961 178.257 177.300 -0.008 0.000 1.205 2239 P CA 0.052 63.154 63.100 0.004 0.000 0.765 2239 P CB 0.615 32.312 31.700 -0.006 0.000 0.828 2240 L N 2.911 124.135 121.223 0.003 0.000 2.051 2240 L HA -0.289 4.051 4.340 0.001 0.000 0.214 2240 L C 2.127 178.986 176.870 -0.018 0.000 1.076 2240 L CA 2.574 57.405 54.840 -0.015 0.000 0.758 2240 L CB -0.697 41.350 42.059 -0.021 0.000 0.890 2240 L HN 0.460 nan 8.230 nan 0.000 0.433 2241 S N -1.427 114.265 115.700 -0.014 0.000 2.440 2241 S HA -0.255 4.215 4.470 0.001 0.000 0.238 2241 S C 1.613 176.201 174.600 -0.020 0.000 1.010 2241 S CA 1.109 59.301 58.200 -0.013 0.000 0.972 2241 S CB -0.269 62.926 63.200 -0.009 0.000 0.774 2241 S HN 0.580 nan 8.310 nan 0.000 0.501 2242 Q N -0.067 119.711 119.800 -0.036 0.000 2.392 2242 Q HA 0.365 4.705 4.340 0.001 0.000 0.203 2242 Q C 1.888 177.836 176.000 -0.087 0.000 0.917 2242 Q CA -0.087 55.675 55.803 -0.069 0.000 0.939 2242 Q CB -0.084 28.598 28.738 -0.094 0.000 1.063 2242 Q HN 0.508 nan 8.270 nan 0.000 0.516 2243 L N 0.952 122.146 121.223 -0.049 0.000 2.012 2243 L HA -0.254 4.087 4.340 0.001 0.000 0.210 2243 L C 2.401 179.273 176.870 0.003 0.000 1.073 2243 L CA 1.629 56.450 54.840 -0.031 0.000 0.748 2243 L CB -0.150 41.911 42.059 0.003 0.000 0.891 2243 L HN 0.366 nan 8.230 nan 0.000 0.431 2244 E N -0.548 119.684 120.200 0.054 0.000 2.038 2244 E HA -0.229 4.121 4.350 0.001 0.000 0.195 2244 E C 1.974 178.629 176.600 0.092 0.000 1.000 2244 E CA 1.333 57.822 56.400 0.149 0.000 0.803 2244 E CB -0.249 29.550 29.700 0.165 0.000 0.750 2244 E HN 0.598 nan 8.360 nan 0.000 0.448 2245 G N 1.322 110.136 108.800 0.023 0.000 2.440 2245 G HA2 -0.251 3.710 3.960 0.001 0.000 0.218 2245 G HA3 -0.251 3.710 3.960 0.001 0.000 0.218 2245 G C 1.612 176.466 174.900 -0.076 0.000 1.154 2245 G CA 0.918 46.016 45.100 -0.004 0.000 0.767 2245 G HN 0.264 nan 8.290 nan 0.000 0.552 2246 I N 0.335 120.778 120.570 -0.212 0.000 2.315 2246 I HA -0.073 4.098 4.170 0.001 0.000 0.248 2246 I C 2.638 178.690 176.117 -0.107 0.000 1.117 2246 I CA 0.640 61.749 61.300 -0.319 0.000 1.404 2246 I CB -0.172 37.559 38.000 -0.448 0.000 1.071 2246 I HN 0.174 nan 8.210 nan 0.000 0.419 2247 I N 0.668 121.164 120.570 -0.124 0.000 2.202 2247 I HA -0.277 3.894 4.170 0.001 0.000 0.242 2247 I C 2.622 178.559 176.117 -0.300 0.000 1.091 2247 I CA 1.286 62.452 61.300 -0.223 0.000 1.368 2247 I CB -0.284 37.506 38.000 -0.351 0.000 1.058 2247 I HN 0.201 nan 8.210 nan 0.000 0.410 2248 E N 1.605 121.677 120.200 -0.214 0.000 2.085 2248 E HA -0.218 4.132 4.350 0.001 0.000 0.194 2248 E C 2.059 178.657 176.600 -0.003 0.000 0.994 2248 E CA 1.809 58.173 56.400 -0.061 0.000 0.801 2248 E CB -0.188 29.603 29.700 0.151 0.000 0.743 2248 E HN 0.412 nan 8.360 nan 0.000 0.453 2249 A N 1.258 124.112 122.820 0.057 0.000 1.858 2249 A HA -0.155 4.165 4.320 0.001 0.000 0.216 2249 A C 2.402 180.030 177.584 0.074 0.000 1.190 2249 A CA 1.952 54.071 52.037 0.136 0.000 0.617 2249 A CB -1.087 18.145 19.000 0.386 0.000 0.827 2249 A HN 0.535 nan 8.150 nan 0.000 0.443 2250 I N -2.680 117.924 120.570 0.055 0.000 2.493 2250 I HA -0.127 4.043 4.170 0.001 0.000 0.254 2250 I C 2.045 178.068 176.117 -0.155 0.000 1.160 2250 I CA 1.124 62.414 61.300 -0.017 0.000 1.445 2250 I CB -0.428 37.586 38.000 0.022 0.000 1.086 2250 I HN 0.207 nan 8.210 nan 0.000 0.433 2251 L N 1.074 122.193 121.223 -0.174 0.000 2.109 2251 L HA -0.107 4.234 4.340 0.001 0.000 0.207 2251 L C 2.672 179.471 176.870 -0.118 0.000 1.086 2251 L CA 1.456 56.173 54.840 -0.206 0.000 0.760 2251 L CB -0.509 41.451 42.059 -0.165 0.000 0.910 2251 L HN 0.276 nan 8.230 nan 0.000 0.437 2252 E N 0.353 120.518 120.200 -0.059 0.000 2.047 2252 E HA -0.190 4.161 4.350 0.001 0.000 0.191 2252 E C 2.271 178.843 176.600 -0.047 0.000 0.987 2252 E CA 1.121 57.501 56.400 -0.032 0.000 0.799 2252 E CB -0.052 29.649 29.700 0.001 0.000 0.752 2252 E HN 0.447 nan 8.360 nan 0.000 0.449 2253 I N 0.918 121.460 120.570 -0.047 0.000 2.226 2253 I HA -0.269 3.901 4.170 0.001 0.000 0.245 2253 I C 2.746 178.829 176.117 -0.057 0.000 1.100 2253 I CA 1.025 62.297 61.300 -0.045 0.000 1.374 2253 I CB -0.233 37.744 38.000 -0.038 0.000 1.057 2253 I HN 0.040 nan 8.210 nan 0.000 0.413 2254 R N 1.026 121.471 120.500 -0.092 0.000 2.081 2254 R HA -0.225 4.116 4.340 0.001 0.000 0.235 2254 R C 2.358 178.569 176.300 -0.149 0.000 1.131 2254 R CA 1.583 57.623 56.100 -0.100 0.000 0.960 2254 R CB -0.260 29.896 30.300 -0.240 0.000 0.856 2254 R HN 0.249 nan 8.270 nan 0.000 0.436 2255 E N 0.350 120.473 120.200 -0.129 0.000 2.070 2255 E HA -0.168 4.182 4.350 0.001 0.000 0.197 2255 E C 1.860 178.381 176.600 -0.132 0.000 1.004 2255 E CA 1.824 58.153 56.400 -0.118 0.000 0.805 2255 E CB -0.035 29.620 29.700 -0.075 0.000 0.744 2255 E HN 0.288 nan 8.360 nan 0.000 0.451 2256 V N 0.956 120.812 119.914 -0.096 0.000 2.346 2256 V HA -0.153 3.968 4.120 0.001 0.000 0.244 2256 V C 2.558 178.610 176.094 -0.070 0.000 1.037 2256 V CA 1.639 63.900 62.300 -0.066 0.000 1.029 2256 V CB -0.799 31.014 31.823 -0.017 0.000 0.663 2256 V HN 0.339 nan 8.190 nan 0.000 0.454 2257 A N 0.909 123.679 122.820 -0.084 0.000 1.969 2257 A HA -0.178 4.142 4.320 0.001 0.000 0.218 2257 A C 2.513 179.804 177.584 -0.489 0.000 1.169 2257 A CA 1.925 53.923 52.037 -0.064 0.000 0.635 2257 A CB -0.768 18.259 19.000 0.045 0.000 0.810 2257 A HN 0.679 nan 8.150 nan 0.000 0.445 2258 S N 0.455 115.618 115.700 -0.895 0.000 2.407 2258 S HA -0.300 4.170 4.470 0.001 0.000 0.235 2258 S C 1.853 175.963 174.600 -0.817 0.000 1.036 2258 S CA 1.757 59.055 58.200 -1.503 0.000 1.013 2258 S CB -0.503 62.265 63.200 -0.721 0.000 0.820 2258 S HN 0.671 nan 8.310 nan 0.000 0.476 2259 K N 0.516 120.570 120.400 -0.577 0.000 2.211 2259 K HA -0.152 4.168 4.320 0.001 0.000 0.204 2259 K C 0.864 177.058 176.600 -0.677 0.000 1.047 2259 K CA 1.534 57.449 56.287 -0.620 0.000 0.935 2259 K CB -0.243 31.781 32.500 -0.795 0.000 0.728 2259 K HN 0.661 nan 8.250 nan 0.000 0.452 2260 Y N -0.907 119.289 120.300 -0.174 0.000 2.458 2260 Y HA 0.146 4.696 4.550 0.001 0.000 0.256 2260 Y C -0.283 175.671 175.900 0.089 0.000 1.159 2260 Y CA -0.993 57.083 58.100 -0.040 0.000 1.261 2260 Y CB 0.192 38.637 38.460 -0.024 0.000 1.119 2260 Y HN -0.136 nan 8.280 nan 0.000 0.524 2261 Y N 2.192 122.529 120.300 0.062 0.000 2.620 2261 Y HA 0.074 4.624 4.550 0.001 0.000 0.330 2261 Y C 0.755 176.671 175.900 0.026 0.000 1.186 2261 Y CA -0.994 57.131 58.100 0.040 0.000 1.467 2261 Y CB -0.059 38.413 38.460 0.019 0.000 1.262 2261 Y HN 0.140 nan 8.280 nan 0.000 0.550 2262 E N 0.693 120.998 120.200 0.175 0.000 2.404 2262 E HA 0.152 4.502 4.350 0.001 0.000 0.261 2262 E C -0.171 176.467 176.600 0.063 0.000 1.074 2262 E CA -0.025 56.429 56.400 0.091 0.000 0.917 2262 E CB 0.322 30.054 29.700 0.053 0.000 0.965 2262 E HN 0.428 nan 8.360 nan 0.000 0.433 2263 T N 3.315 117.893 114.554 0.041 0.000 2.794 2263 T HA 0.290 4.640 4.350 0.001 0.000 0.296 2263 T C 0.788 175.489 174.700 0.002 0.000 0.949 2263 T CA -0.360 61.755 62.100 0.024 0.000 1.101 2263 T CB -0.085 68.795 68.868 0.020 0.000 0.905 2263 T HN 0.557 nan 8.240 nan 0.000 0.516 2264 I N 0.000 120.563 120.570 -0.011 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 -0.039 0.000 1.566 2264 I CB 0.000 37.984 38.000 -0.026 0.000 1.214 2264 I HN 0.000 nan 8.210 nan 0.000 0.494