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 1vg8_1_B DATA FIRST_RESID 2006 DATA SEQUENCE KVLLKVIILG DSGVGKTSLM NQYVNKKFSN QYKATIGADF LTKEVMVDDR DATA SEQUENCE LVTMQIWDTA GQERFQSLGV AFYRGADCCV LVFDVTAPNT FKTLDSWRDE DATA SEQUENCE FLIQASPRDP ENFPFVVLGN KIDLENRQVA TKRAQAWCYS KNNIPYFETS DATA SEQUENCE AKEAINVEQA FQTIARNALK QETEVELYN 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 2006 K HA 0.000 nan 4.320 nan 0.000 0.191 2006 K C 0.000 176.611 176.600 0.019 0.000 0.988 2006 K CA 0.000 56.297 56.287 0.016 0.000 0.838 2006 K CB 0.000 32.509 32.500 0.015 0.000 1.064 2007 V N 4.549 124.475 119.914 0.020 0.000 2.257 2007 V HA 0.430 4.549 4.120 -0.003 0.000 0.269 2007 V C -0.015 176.095 176.094 0.026 0.000 1.040 2007 V CA -0.553 61.761 62.300 0.024 0.000 0.813 2007 V CB 0.774 32.611 31.823 0.024 0.000 1.065 2007 V HN 0.049 nan 8.190 nan 0.000 0.457 2008 L N 5.519 126.758 121.223 0.027 0.000 2.292 2008 L HA 0.577 4.915 4.340 -0.003 0.000 0.284 2008 L C -0.448 176.447 176.870 0.042 0.000 1.065 2008 L CA -0.340 54.517 54.840 0.028 0.000 0.806 2008 L CB 1.305 43.376 42.059 0.019 0.000 1.175 2008 L HN 0.393 nan 8.230 nan 0.000 0.431 2009 L N 4.176 125.432 121.223 0.055 0.000 2.325 2009 L HA 0.454 4.793 4.340 -0.003 0.000 0.281 2009 L C -0.163 176.771 176.870 0.107 0.000 1.004 2009 L CA -0.486 54.398 54.840 0.073 0.000 0.823 2009 L CB 2.050 44.152 42.059 0.072 0.000 1.236 2009 L HN 0.560 nan 8.230 nan 0.000 0.415 2010 K N 3.413 123.890 120.400 0.129 0.000 2.263 2010 K HA 0.591 4.909 4.320 -0.003 0.000 0.272 2010 K C -1.352 175.380 176.600 0.221 0.000 1.033 2010 K CA -0.452 55.954 56.287 0.198 0.000 0.884 2010 K CB 1.476 34.073 32.500 0.160 0.000 1.107 2010 K HN 0.354 nan 8.250 nan 0.000 0.460 2011 V N 5.970 126.057 119.914 0.288 0.000 2.495 2011 V HA 0.428 4.547 4.120 -0.003 0.000 0.298 2011 V C -0.372 175.917 176.094 0.325 0.000 1.031 2011 V CA -1.000 61.448 62.300 0.247 0.000 0.871 2011 V CB 1.657 33.615 31.823 0.226 0.000 0.988 2011 V HN 0.667 nan 8.190 nan 0.000 0.432 2012 I N 5.462 126.185 120.570 0.255 0.000 2.404 2012 I HA 0.507 4.675 4.170 -0.003 0.000 0.293 2012 I C -0.180 176.065 176.117 0.213 0.000 0.992 2012 I CA -0.580 60.895 61.300 0.293 0.000 1.149 2012 I CB 1.749 39.953 38.000 0.339 0.000 1.315 2012 I HN 0.433 nan 8.210 nan 0.000 0.446 2013 I N 6.733 127.433 120.570 0.215 0.000 2.339 2013 I HA 0.443 4.611 4.170 -0.003 0.000 0.290 2013 I C -0.309 175.852 176.117 0.074 0.000 0.994 2013 I CA -0.447 60.931 61.300 0.130 0.000 1.191 2013 I CB 1.467 39.547 38.000 0.132 0.000 1.343 2013 I HN 0.284 nan 8.210 nan 0.000 0.458 2014 L N 5.269 126.484 121.223 -0.013 0.000 2.323 2014 L HA 0.971 5.309 4.340 -0.003 0.000 0.265 2014 L C 0.115 176.639 176.870 -0.577 0.000 1.012 2014 L CA -0.622 54.062 54.840 -0.261 0.000 0.820 2014 L CB 2.256 44.297 42.059 -0.030 0.000 1.334 2014 L HN 0.794 nan 8.230 nan 0.000 0.427 2015 G N 0.218 108.214 108.800 -1.341 0.000 2.350 2015 G HA2 0.110 4.068 3.960 -0.003 0.000 0.305 2015 G HA3 0.110 4.068 3.960 -0.003 0.000 0.305 2015 G C -2.024 172.466 174.900 -0.683 0.000 1.479 2015 G CA -0.914 43.545 45.100 -1.069 0.000 0.949 2015 G HN 0.398 nan 8.290 nan 0.000 0.651 2016 D N 0.128 120.510 120.400 -0.030 0.000 2.368 2016 D HA 0.402 5.040 4.640 -0.003 0.000 0.240 2016 D C 1.045 177.441 176.300 0.159 0.000 1.169 2016 D CA 0.444 54.621 54.000 0.295 0.000 0.906 2016 D CB 1.453 42.446 40.800 0.322 0.000 1.187 2016 D HN 0.438 nan 8.370 nan 0.000 0.435 2017 S N -0.233 115.590 115.700 0.206 0.000 2.552 2017 S HA 0.331 4.800 4.470 -0.003 0.000 0.289 2017 S C 1.278 175.917 174.600 0.064 0.000 1.304 2017 S CA 0.690 58.989 58.200 0.164 0.000 1.063 2017 S CB 0.097 63.423 63.200 0.209 0.000 0.848 2017 S HN 0.666 nan 8.310 nan 0.000 0.499 2018 G N 2.193 110.996 108.800 0.005 0.000 2.195 2018 G HA2 -0.299 3.659 3.960 -0.003 0.000 0.246 2018 G HA3 -0.299 3.659 3.960 -0.003 0.000 0.246 2018 G C 0.808 175.695 174.900 -0.022 0.000 0.984 2018 G CA 0.588 45.620 45.100 -0.113 0.000 0.633 2018 G HN 1.743 nan 8.290 nan 0.000 0.525 2019 V N -1.712 118.219 119.914 0.028 0.000 2.970 2019 V HA 0.493 4.612 4.120 -0.003 0.000 0.260 2019 V C 1.946 178.060 176.094 0.033 0.000 1.100 2019 V CA 1.924 64.245 62.300 0.035 0.000 1.122 2019 V CB -0.266 31.586 31.823 0.047 0.000 0.721 2019 V HN 2.319 nan 8.190 nan 0.000 0.483 2020 G N -0.020 108.814 108.800 0.056 0.000 2.141 2020 G HA2 -0.201 3.757 3.960 -0.003 0.000 0.164 2020 G HA3 -0.201 3.757 3.960 -0.003 0.000 0.164 2020 G C 0.537 175.494 174.900 0.094 0.000 1.009 2020 G CA 0.274 45.429 45.100 0.092 0.000 0.677 2020 G HN 0.477 nan 8.290 nan 0.000 0.508 2021 K N -0.216 120.228 120.400 0.074 0.000 2.020 2021 K HA -0.105 4.213 4.320 -0.003 0.000 0.212 2021 K C 2.533 179.192 176.600 0.100 0.000 1.050 2021 K CA 2.025 58.358 56.287 0.077 0.000 0.929 2021 K CB -0.356 32.171 32.500 0.045 0.000 0.714 2021 K HN 0.319 nan 8.250 nan 0.000 0.443 2022 T N 0.863 115.470 114.554 0.088 0.000 2.788 2022 T HA -0.095 4.253 4.350 -0.003 0.000 0.268 2022 T C 2.120 176.864 174.700 0.073 0.000 1.044 2022 T CA 1.450 63.588 62.100 0.063 0.000 1.139 2022 T CB -0.146 68.745 68.868 0.037 0.000 0.867 2022 T HN 0.149 nan 8.240 nan 0.000 0.454 2023 S N 1.270 117.034 115.700 0.107 0.000 2.368 2023 S HA 0.065 4.533 4.470 -0.003 0.000 0.224 2023 S C 2.023 176.741 174.600 0.196 0.000 1.029 2023 S CA 0.786 59.086 58.200 0.167 0.000 0.988 2023 S CB -0.409 62.958 63.200 0.279 0.000 0.838 2023 S HN 0.350 nan 8.310 nan 0.000 0.462 2024 L N 1.040 122.370 121.223 0.178 0.000 2.046 2024 L HA -0.096 4.242 4.340 -0.003 0.000 0.208 2024 L C 2.583 179.572 176.870 0.199 0.000 1.077 2024 L CA 1.315 56.277 54.840 0.204 0.000 0.747 2024 L CB -0.441 41.748 42.059 0.216 0.000 0.896 2024 L HN 0.391 nan 8.230 nan 0.000 0.432 2025 M N 0.022 119.719 119.600 0.163 0.000 2.099 2025 M HA -0.230 4.248 4.480 -0.003 0.000 0.262 2025 M C 1.808 178.125 176.300 0.029 0.000 1.067 2025 M CA 2.021 57.375 55.300 0.090 0.000 1.124 2025 M CB -0.270 32.383 32.600 0.088 0.000 1.353 2025 M HN 0.250 nan 8.290 nan 0.000 0.410 2026 N N -0.474 118.249 118.700 0.038 0.000 2.244 2026 N HA -0.224 4.515 4.740 -0.003 0.000 0.183 2026 N C 1.781 177.306 175.510 0.024 0.000 1.016 2026 N CA 1.211 54.264 53.050 0.006 0.000 0.866 2026 N CB -0.085 38.401 38.487 -0.001 0.000 0.980 2026 N HN 0.381 nan 8.380 nan 0.000 0.430 2027 Q N 0.365 120.216 119.800 0.085 0.000 2.046 2027 Q HA -0.174 4.164 4.340 -0.003 0.000 0.200 2027 Q C 1.763 177.791 176.000 0.046 0.000 0.975 2027 Q CA 1.443 57.299 55.803 0.089 0.000 0.836 2027 Q CB -0.438 28.378 28.738 0.131 0.000 0.896 2027 Q HN 0.466 nan 8.270 nan 0.000 0.428 2028 Y N -0.448 119.763 120.300 -0.148 0.000 2.145 2028 Y HA -0.130 4.419 4.550 -0.003 0.000 0.286 2028 Y C 1.881 177.626 175.900 -0.260 0.000 1.145 2028 Y CA 1.729 59.646 58.100 -0.303 0.000 1.148 2028 Y CB -0.317 37.666 38.460 -0.794 0.000 0.981 2028 Y HN 0.016 nan 8.280 nan 0.000 0.507 2029 V N 0.318 120.036 119.914 -0.328 0.000 2.535 2029 V HA -0.185 3.933 4.120 -0.003 0.000 0.246 2029 V C 1.032 176.981 176.094 -0.241 0.000 1.045 2029 V CA 2.168 64.241 62.300 -0.378 0.000 1.058 2029 V CB -0.469 31.215 31.823 -0.232 0.000 0.689 2029 V HN 0.440 nan 8.190 nan 0.000 0.461 2030 N N -0.909 117.703 118.700 -0.148 0.000 2.171 2030 N HA 0.104 4.842 4.740 -0.003 0.000 0.212 2030 N C -0.132 175.338 175.510 -0.066 0.000 1.184 2030 N CA -0.234 52.755 53.050 -0.102 0.000 0.888 2030 N CB 0.493 38.934 38.487 -0.077 0.000 1.038 2030 N HN 0.008 nan 8.380 nan 0.000 0.517 2031 K N 0.602 120.970 120.400 -0.053 0.000 3.071 2031 K HA -0.187 4.131 4.320 -0.003 0.000 0.265 2031 K C -0.798 175.812 176.600 0.017 0.000 1.060 2031 K CA 1.078 57.355 56.287 -0.017 0.000 0.767 2031 K CB -1.685 30.796 32.500 -0.031 0.000 1.241 2031 K HN 0.428 nan 8.250 nan 0.000 0.486 2032 K N -0.488 119.934 120.400 0.036 0.000 2.395 2032 K HA 0.688 5.006 4.320 -0.003 0.000 0.247 2032 K C -0.854 175.838 176.600 0.154 0.000 0.973 2032 K CA -0.885 55.442 56.287 0.067 0.000 0.828 2032 K CB 1.647 34.155 32.500 0.014 0.000 1.272 2032 K HN -0.003 nan 8.250 nan 0.000 0.439 2033 F N 0.471 120.415 119.950 -0.010 0.000 2.615 2033 F HA 0.349 4.874 4.527 -0.003 0.000 0.312 2033 F C -1.263 174.537 175.800 0.001 0.000 1.119 2033 F CA -0.411 57.589 58.000 0.000 0.000 0.979 2033 F CB 1.997 41.000 39.000 0.005 0.000 1.266 2033 F HN 0.407 nan 8.300 nan 0.000 0.444 2034 S N 4.802 120.018 115.700 -0.807 0.000 2.500 2034 S HA 0.396 4.864 4.470 -0.003 0.000 0.301 2034 S C -0.030 174.084 174.600 -0.809 0.000 1.092 2034 S CA -0.706 57.161 58.200 -0.555 0.000 1.030 2034 S CB 1.186 64.198 63.200 -0.313 0.000 1.031 2034 S HN 0.792 nan 8.310 nan 0.000 0.483 2035 N N 2.670 121.162 118.700 -0.346 0.000 2.409 2035 N HA 0.002 4.740 4.740 -0.003 0.000 0.179 2035 N C -0.031 175.429 175.510 -0.083 0.000 1.032 2035 N CA 0.537 53.500 53.050 -0.144 0.000 0.898 2035 N CB 0.076 38.596 38.487 0.054 0.000 0.971 2035 N HN 0.692 nan 8.380 nan 0.000 0.441 2036 Q N 0.269 120.015 119.800 -0.090 0.000 2.332 2036 Q HA 0.082 4.420 4.340 -0.003 0.000 0.263 2036 Q C -0.715 175.294 176.000 0.015 0.000 0.979 2036 Q CA 0.020 55.810 55.803 -0.022 0.000 0.885 2036 Q CB 0.764 29.476 28.738 -0.044 0.000 1.218 2036 Q HN 0.287 nan 8.270 nan 0.000 0.405 2037 Y N 2.203 122.465 120.300 -0.063 0.000 2.313 2037 Y HA 0.271 4.819 4.550 -0.003 0.000 0.332 2037 Y C -0.593 175.278 175.900 -0.048 0.000 1.071 2037 Y CA -0.515 57.554 58.100 -0.051 0.000 1.169 2037 Y CB 0.747 39.201 38.460 -0.010 0.000 1.192 2037 Y HN 0.436 nan 8.280 nan 0.000 0.487 2038 K N 5.919 125.953 120.400 -0.609 0.000 2.604 2038 K HA 0.634 4.952 4.320 -0.003 0.000 0.247 2038 K C -1.216 174.898 176.600 -0.810 0.000 0.956 2038 K CA -0.696 55.206 56.287 -0.641 0.000 0.896 2038 K CB 0.894 33.200 32.500 -0.325 0.000 1.131 2038 K HN 0.815 nan 8.250 nan 0.000 0.440 2039 A N 3.007 125.199 122.820 -1.046 0.000 2.511 2039 A HA 0.142 4.460 4.320 -0.003 0.000 0.242 2039 A C -0.042 177.333 177.584 -0.348 0.000 1.069 2039 A CA 0.275 51.993 52.037 -0.531 0.000 0.763 2039 A CB 0.106 18.975 19.000 -0.218 0.000 1.001 2039 A HN 0.726 nan 8.150 nan 0.000 0.498 2040 T N 3.133 117.606 114.554 -0.135 0.000 2.814 2040 T HA 0.392 4.741 4.350 -0.003 0.000 0.297 2040 T C 0.070 174.684 174.700 -0.143 0.000 0.956 2040 T CA 0.622 62.652 62.100 -0.117 0.000 1.123 2040 T CB -0.166 68.698 68.868 -0.007 0.000 0.902 2040 T HN 0.390 nan 8.240 nan 0.000 0.528 2041 I N 3.279 123.727 120.570 -0.203 0.000 2.362 2041 I HA 0.547 4.715 4.170 -0.003 0.000 0.289 2041 I C 0.956 177.053 176.117 -0.033 0.000 0.994 2041 I CA -0.200 61.009 61.300 -0.152 0.000 1.158 2041 I CB 1.032 38.867 38.000 -0.276 0.000 1.315 2041 I HN 0.904 nan 8.210 nan 0.000 0.451 2042 G N 4.608 113.446 108.800 0.063 0.000 2.782 2042 G HA2 0.061 4.019 3.960 -0.003 0.000 0.228 2042 G HA3 0.061 4.019 3.960 -0.003 0.000 0.228 2042 G C -0.656 174.253 174.900 0.016 0.000 1.372 2042 G CA -0.299 44.840 45.100 0.065 0.000 0.862 2042 G HN 1.020 nan 8.290 nan 0.000 0.547 2043 A N 0.130 122.928 122.820 -0.038 0.000 2.324 2043 A HA 0.831 5.149 4.320 -0.003 0.000 0.330 2043 A C -0.149 177.391 177.584 -0.074 0.000 1.165 2043 A CA 0.644 52.582 52.037 -0.166 0.000 0.813 2043 A CB 1.904 20.445 19.000 -0.764 0.000 1.197 2043 A HN 1.330 nan 8.150 nan 0.000 0.484 2044 D N -0.522 119.805 120.400 -0.123 0.000 2.671 2044 D HA 0.603 5.242 4.640 -0.003 0.000 0.273 2044 D C -1.399 174.515 176.300 -0.643 0.000 1.264 2044 D CA -0.181 53.559 54.000 -0.433 0.000 0.788 2044 D CB 1.344 41.921 40.800 -0.372 0.000 1.324 2044 D HN 0.443 nan 8.370 nan 0.000 0.424 2045 F N -0.453 118.921 119.950 -0.959 0.000 2.611 2045 F HA 0.790 5.315 4.527 -0.003 0.000 0.324 2045 F C -1.336 174.190 175.800 -0.456 0.000 1.061 2045 F CA -0.945 56.548 58.000 -0.844 0.000 0.954 2045 F CB 1.065 39.245 39.000 -1.367 0.000 1.301 2045 F HN 0.160 nan 8.300 nan 0.000 0.482 2046 L N 0.779 121.959 121.223 -0.073 0.000 2.323 2046 L HA 0.700 5.038 4.340 -0.003 0.000 0.265 2046 L C -0.660 176.274 176.870 0.106 0.000 1.012 2046 L CA -0.822 53.989 54.840 -0.049 0.000 0.820 2046 L CB 2.610 44.621 42.059 -0.080 0.000 1.334 2046 L HN 0.794 nan 8.230 nan 0.000 0.427 2047 T N 1.342 115.935 114.554 0.065 0.000 2.876 2047 T HA 0.440 4.789 4.350 -0.003 0.000 0.289 2047 T C -0.959 173.732 174.700 -0.015 0.000 1.014 2047 T CA -0.665 61.474 62.100 0.064 0.000 0.986 2047 T CB 2.167 71.093 68.868 0.097 0.000 1.021 2047 T HN 0.399 nan 8.240 nan 0.000 0.458 2048 K N 1.937 122.324 120.400 -0.022 0.000 2.501 2048 K HA 0.361 4.680 4.320 -0.003 0.000 0.252 2048 K C -1.052 175.521 176.600 -0.044 0.000 0.934 2048 K CA -0.592 55.644 56.287 -0.086 0.000 0.797 2048 K CB 1.866 34.244 32.500 -0.202 0.000 1.270 2048 K HN 0.564 nan 8.250 nan 0.000 0.431 2049 E N 2.326 122.493 120.200 -0.055 0.000 2.249 2049 E HA 0.327 4.675 4.350 -0.003 0.000 0.280 2049 E C -0.613 175.971 176.600 -0.027 0.000 1.016 2049 E CA -0.702 55.684 56.400 -0.025 0.000 0.830 2049 E CB 1.762 31.448 29.700 -0.024 0.000 1.081 2049 E HN 0.423 nan 8.360 nan 0.000 0.395 2050 V N -0.257 119.662 119.914 0.008 0.000 3.159 2050 V HA 0.570 4.688 4.120 -0.003 0.000 0.308 2050 V C -0.931 175.181 176.094 0.030 0.000 1.190 2050 V CA -1.275 61.038 62.300 0.022 0.000 1.037 2050 V CB 1.969 33.837 31.823 0.075 0.000 1.060 2050 V HN 0.549 nan 8.190 nan 0.000 0.437 2051 M N 2.715 122.335 119.600 0.033 0.000 2.088 2051 M HA 0.709 5.188 4.480 -0.003 0.000 0.346 2051 M C -1.056 175.270 176.300 0.042 0.000 1.111 2051 M CA -0.661 54.657 55.300 0.030 0.000 1.017 2051 M CB 0.975 33.587 32.600 0.021 0.000 1.568 2051 M HN 0.629 nan 8.290 nan 0.000 0.445 2052 V N 5.400 125.337 119.914 0.038 0.000 2.350 2052 V HA 0.311 4.430 4.120 -0.003 0.000 0.285 2052 V C -0.292 175.820 176.094 0.030 0.000 1.014 2052 V CA -0.870 61.454 62.300 0.039 0.000 0.831 2052 V CB 1.179 33.026 31.823 0.039 0.000 1.000 2052 V HN 0.907 nan 8.190 nan 0.000 0.433 2053 D N 3.778 124.195 120.400 0.029 0.000 2.720 2053 D HA -0.204 4.434 4.640 -0.003 0.000 0.229 2053 D C 0.345 176.658 176.300 0.021 0.000 1.198 2053 D CA 1.331 55.346 54.000 0.025 0.000 0.639 2053 D CB -0.624 40.190 40.800 0.023 0.000 1.003 2053 D HN 0.956 nan 8.370 nan 0.000 0.411 2054 D N -1.212 119.200 120.400 0.020 0.000 2.809 2054 D HA -0.221 4.418 4.640 -0.003 0.000 0.234 2054 D C 0.339 176.649 176.300 0.016 0.000 1.111 2054 D CA 1.058 55.069 54.000 0.017 0.000 0.726 2054 D CB -0.633 40.176 40.800 0.015 0.000 1.089 2054 D HN 0.571 nan 8.370 nan 0.000 0.436 2055 R N 0.455 120.967 120.500 0.019 0.000 2.535 2055 R HA 0.421 4.759 4.340 -0.003 0.000 0.274 2055 R C -1.340 174.972 176.300 0.020 0.000 1.090 2055 R CA -0.783 55.328 56.100 0.018 0.000 0.930 2055 R CB 1.184 31.496 30.300 0.019 0.000 1.223 2055 R HN 0.014 nan 8.270 nan 0.000 0.441 2056 L N 6.034 127.266 121.223 0.017 0.000 2.361 2056 L HA 0.469 4.807 4.340 -0.003 0.000 0.278 2056 L C -0.872 176.010 176.870 0.020 0.000 1.113 2056 L CA 0.113 54.962 54.840 0.016 0.000 0.849 2056 L CB 1.289 43.354 42.059 0.011 0.000 1.155 2056 L HN 0.467 nan 8.230 nan 0.000 0.452 2057 V N 1.119 121.048 119.914 0.025 0.000 3.007 2057 V HA 0.669 4.787 4.120 -0.003 0.000 0.311 2057 V C -0.209 175.903 176.094 0.031 0.000 1.120 2057 V CA -0.538 61.780 62.300 0.030 0.000 0.980 2057 V CB 1.854 33.700 31.823 0.039 0.000 1.033 2057 V HN 0.674 nan 8.190 nan 0.000 0.429 2058 T N 5.352 119.925 114.554 0.030 0.000 2.767 2058 T HA 0.564 4.912 4.350 -0.003 0.000 0.284 2058 T C -0.217 174.511 174.700 0.046 0.000 0.973 2058 T CA -0.311 61.806 62.100 0.028 0.000 0.996 2058 T CB 0.872 69.750 68.868 0.017 0.000 0.927 2058 T HN 0.661 nan 8.240 nan 0.000 0.456 2059 M N 3.451 123.088 119.600 0.063 0.000 2.129 2059 M HA 0.301 4.780 4.480 -0.003 0.000 0.348 2059 M C -0.029 176.324 176.300 0.089 0.000 1.116 2059 M CA -0.368 54.993 55.300 0.103 0.000 1.022 2059 M CB 1.478 34.176 32.600 0.164 0.000 1.599 2059 M HN 0.575 nan 8.290 nan 0.000 0.449 2060 Q N 4.317 124.171 119.800 0.089 0.000 2.400 2060 Q HA 0.513 4.852 4.340 -0.003 0.000 0.255 2060 Q C -1.382 174.720 176.000 0.170 0.000 1.008 2060 Q CA -0.280 55.542 55.803 0.033 0.000 0.841 2060 Q CB 0.900 29.581 28.738 -0.095 0.000 1.220 2060 Q HN 0.681 nan 8.270 nan 0.000 0.474 2061 I N 3.965 124.626 120.570 0.152 0.000 2.330 2061 I HA 0.271 4.439 4.170 -0.003 0.000 0.289 2061 I C -0.924 175.299 176.117 0.177 0.000 1.001 2061 I CA -0.650 60.792 61.300 0.237 0.000 1.193 2061 I CB 0.743 38.870 38.000 0.212 0.000 1.345 2061 I HN 0.539 nan 8.210 nan 0.000 0.461 2062 W N 5.331 126.721 121.300 0.150 0.000 2.361 2062 W HA 0.313 4.972 4.660 -0.002 0.000 0.309 2062 W C 0.131 176.677 176.519 0.045 0.000 1.122 2062 W CA -0.161 57.241 57.345 0.094 0.000 1.208 2062 W CB 0.775 30.267 29.460 0.055 0.000 1.246 2062 W HN 0.329 nan 8.180 nan 0.000 0.490 2063 D N 1.823 122.315 120.400 0.154 0.000 2.193 2063 D HA 0.506 5.144 4.640 -0.003 0.000 0.249 2063 D C -0.182 176.162 176.300 0.072 0.000 1.034 2063 D CA -0.075 53.982 54.000 0.095 0.000 0.902 2063 D CB 1.330 42.144 40.800 0.025 0.000 1.182 2063 D HN 0.312 nan 8.370 nan 0.000 0.436 2064 T N -0.745 113.857 114.554 0.080 0.000 2.901 2064 T HA 0.767 5.115 4.350 -0.003 0.000 0.293 2064 T C -0.393 174.375 174.700 0.113 0.000 1.084 2064 T CA -1.076 61.081 62.100 0.094 0.000 1.008 2064 T CB 1.327 70.296 68.868 0.167 0.000 1.170 2064 T HN 0.381 nan 8.240 nan 0.000 0.509 2065 A N 0.447 123.370 122.820 0.171 0.000 2.354 2065 A HA 0.620 4.938 4.320 -0.003 0.000 0.281 2065 A C 1.411 179.163 177.584 0.280 0.000 1.174 2065 A CA -0.141 52.033 52.037 0.229 0.000 0.828 2065 A CB -0.250 18.923 19.000 0.288 0.000 1.099 2065 A HN 1.186 nan 8.150 nan 0.000 0.516 2066 G N 1.460 110.415 108.800 0.259 0.000 2.494 2066 G HA2 0.023 3.981 3.960 -0.003 0.000 0.216 2066 G HA3 0.023 3.981 3.960 -0.003 0.000 0.216 2066 G C 0.657 175.777 174.900 0.367 0.000 1.140 2066 G CA 0.127 45.407 45.100 0.299 0.000 0.801 2066 G HN 0.773 nan 8.290 nan 0.000 0.536 2067 Q N 0.209 120.207 119.800 0.329 0.000 2.296 2067 Q HA 0.196 4.534 4.340 -0.003 0.000 0.262 2067 Q C 0.814 176.919 176.000 0.174 0.000 0.981 2067 Q CA -0.240 55.696 55.803 0.220 0.000 0.905 2067 Q CB 1.856 30.691 28.738 0.161 0.000 1.186 2067 Q HN 0.472 nan 8.270 nan 0.000 0.399 2068 E N 3.457 123.722 120.200 0.110 0.000 2.160 2068 E HA -0.248 4.100 4.350 -0.003 0.000 0.195 2068 E C 1.723 178.339 176.600 0.026 0.000 0.991 2068 E CA 1.381 57.834 56.400 0.088 0.000 0.810 2068 E CB 0.207 29.934 29.700 0.045 0.000 0.742 2068 E HN 0.580 nan 8.360 nan 0.000 0.466 2069 R N -0.531 119.896 120.500 -0.122 0.000 2.193 2069 R HA -0.110 4.228 4.340 -0.003 0.000 0.229 2069 R C 0.949 177.186 176.300 -0.105 0.000 1.110 2069 R CA 1.197 57.170 56.100 -0.211 0.000 0.988 2069 R CB -0.277 29.742 30.300 -0.467 0.000 0.871 2069 R HN 0.150 nan 8.270 nan 0.000 0.458 2070 F N 1.361 121.368 119.950 0.096 0.000 2.695 2070 F HA 0.316 4.842 4.527 -0.002 0.000 0.303 2070 F C 0.315 176.177 175.800 0.105 0.000 1.091 2070 F CA -0.652 57.400 58.000 0.088 0.000 1.300 2070 F CB -0.024 39.026 39.000 0.083 0.000 1.071 2070 F HN -0.041 nan 8.300 nan 0.000 0.578 2071 Q N 0.177 120.147 119.800 0.282 0.000 2.261 2071 Q HA 0.341 4.679 4.340 -0.003 0.000 0.252 2071 Q C 0.380 176.506 176.000 0.210 0.000 0.915 2071 Q CA -0.268 55.686 55.803 0.252 0.000 0.915 2071 Q CB 1.310 30.204 28.738 0.259 0.000 1.204 2071 Q HN 0.046 nan 8.270 nan 0.000 0.421 2072 S N 1.556 117.382 115.700 0.210 0.000 2.645 2072 S HA 0.109 4.578 4.470 -0.003 0.000 0.266 2072 S C 0.637 175.348 174.600 0.184 0.000 1.258 2072 S CA -0.610 57.698 58.200 0.179 0.000 0.990 2072 S CB 0.635 63.939 63.200 0.172 0.000 0.967 2072 S HN 0.528 nan 8.310 nan 0.000 0.556 2073 L N 1.543 122.853 121.223 0.146 0.000 2.341 2073 L HA 0.264 4.603 4.340 -0.003 0.000 0.214 2073 L C 1.349 178.304 176.870 0.141 0.000 1.115 2073 L CA 0.688 55.603 54.840 0.125 0.000 0.820 2073 L CB -1.115 40.997 42.059 0.088 0.000 0.944 2073 L HN 0.743 nan 8.230 nan 0.000 0.452 2074 G N -0.878 108.024 108.800 0.170 0.000 2.365 2074 G HA2 0.367 4.325 3.960 -0.003 0.000 0.249 2074 G HA3 0.367 4.325 3.960 -0.003 0.000 0.249 2074 G C 0.387 175.441 174.900 0.256 0.000 1.288 2074 G CA 0.409 45.621 45.100 0.186 0.000 0.887 2074 G HN 0.287 nan 8.290 nan 0.000 0.524 2075 V N -0.551 119.446 119.914 0.139 0.000 3.199 2075 V HA 0.513 4.631 4.120 -0.003 0.000 0.331 2075 V C 1.662 177.683 176.094 -0.121 0.000 1.446 2075 V CA 0.695 63.006 62.300 0.018 0.000 1.120 2075 V CB 0.076 31.901 31.823 0.003 0.000 1.051 2075 V HN 0.806 nan 8.190 nan 0.000 0.495 2076 A N 1.574 124.386 122.820 -0.012 0.000 2.067 2076 A HA -0.035 4.283 4.320 -0.003 0.000 0.219 2076 A C 1.760 179.272 177.584 -0.120 0.000 1.158 2076 A CA 1.866 53.877 52.037 -0.044 0.000 0.661 2076 A CB -0.794 18.226 19.000 0.033 0.000 0.801 2076 A HN 1.089 nan 8.150 nan 0.000 0.452 2077 F N -2.188 117.622 119.950 -0.233 0.000 2.333 2077 F HA -0.122 4.403 4.527 -0.003 0.000 0.300 2077 F C 1.739 177.165 175.800 -0.624 0.000 1.083 2077 F CA 0.828 58.444 58.000 -0.640 0.000 1.395 2077 F CB -0.864 37.385 39.000 -1.251 0.000 1.056 2077 F HN 0.209 nan 8.300 nan 0.000 0.529 2078 Y N 0.764 120.518 120.300 -0.910 0.000 2.439 2078 Y HA 0.070 4.619 4.550 -0.002 0.000 0.292 2078 Y C 1.168 176.822 175.900 -0.410 0.000 1.130 2078 Y CA 0.374 58.077 58.100 -0.662 0.000 1.254 2078 Y CB -0.312 37.700 38.460 -0.747 0.000 1.000 2078 Y HN -0.089 nan 8.280 nan 0.000 0.554 2079 R N 0.020 120.413 120.500 -0.178 0.000 2.442 2079 R HA 0.302 4.640 4.340 -0.003 0.000 0.291 2079 R C 1.113 177.363 176.300 -0.083 0.000 1.069 2079 R CA 0.918 56.934 56.100 -0.140 0.000 1.022 2079 R CB 0.258 30.486 30.300 -0.119 0.000 0.976 2079 R HN 0.378 nan 8.270 nan 0.000 0.443 2080 G N 1.186 109.954 108.800 -0.053 0.000 2.159 2080 G HA2 -0.298 3.660 3.960 -0.003 0.000 0.256 2080 G HA3 -0.298 3.660 3.960 -0.003 0.000 0.256 2080 G C 0.280 175.223 174.900 0.072 0.000 0.977 2080 G CA -0.084 45.021 45.100 0.009 0.000 0.652 2080 G HN 0.878 nan 8.290 nan 0.000 0.531 2081 A N -0.121 122.759 122.820 0.100 0.000 2.520 2081 A HA 0.497 4.815 4.320 -0.003 0.000 0.235 2081 A C 1.107 178.923 177.584 0.386 0.000 1.065 2081 A CA 1.029 53.216 52.037 0.250 0.000 0.764 2081 A CB 0.296 19.557 19.000 0.436 0.000 1.002 2081 A HN 0.248 nan 8.150 nan 0.000 0.502 2082 D N -0.616 119.961 120.400 0.294 0.000 2.423 2082 D HA 0.181 4.820 4.640 -0.003 0.000 0.208 2082 D C -0.167 176.108 176.300 -0.041 0.000 1.068 2082 D CA 0.671 54.762 54.000 0.152 0.000 0.860 2082 D CB 0.577 41.413 40.800 0.060 0.000 0.992 2082 D HN 0.483 nan 8.370 nan 0.000 0.504 2083 C N 0.365 119.718 119.300 0.089 0.000 3.241 2083 C HA 0.491 4.949 4.460 -0.003 0.000 0.348 2083 C C -1.432 173.517 174.990 -0.069 0.000 1.180 2083 C CA -0.988 57.946 59.018 -0.140 0.000 1.273 2083 C CB 0.774 28.436 27.740 -0.130 0.000 1.620 2083 C HN 0.332 nan 8.230 nan 0.000 0.510 2084 C N 5.591 124.720 119.300 -0.285 0.000 2.319 2084 C HA 0.820 5.278 4.460 -0.003 0.000 0.323 2084 C C -0.537 174.422 174.990 -0.051 0.000 1.277 2084 C CA -0.148 58.635 59.018 -0.393 0.000 1.517 2084 C CB 0.025 27.031 27.740 -1.223 0.000 2.206 2084 C HN 0.787 nan 8.230 nan 0.000 0.486 2085 V N 7.846 127.773 119.914 0.021 0.000 2.394 2085 V HA 0.422 4.540 4.120 -0.003 0.000 0.282 2085 V C -0.048 176.113 176.094 0.111 0.000 1.031 2085 V CA -0.240 62.092 62.300 0.052 0.000 0.881 2085 V CB 1.311 33.109 31.823 -0.042 0.000 0.982 2085 V HN 0.757 nan 8.190 nan 0.000 0.451 2086 L N 5.826 127.157 121.223 0.181 0.000 2.287 2086 L HA 0.648 4.986 4.340 -0.003 0.000 0.287 2086 L C -0.602 176.365 176.870 0.163 0.000 1.022 2086 L CA -0.596 54.347 54.840 0.171 0.000 0.814 2086 L CB 1.820 44.040 42.059 0.268 0.000 1.217 2086 L HN 0.358 nan 8.230 nan 0.000 0.420 2087 V N 3.792 123.749 119.914 0.072 0.000 2.555 2087 V HA 0.564 4.682 4.120 -0.003 0.000 0.302 2087 V C -0.385 175.804 176.094 0.159 0.000 1.038 2087 V CA -0.588 61.758 62.300 0.077 0.000 0.887 2087 V CB 1.635 33.456 31.823 -0.004 0.000 0.991 2087 V HN 0.592 nan 8.190 nan 0.000 0.434 2088 F N 0.830 120.827 119.950 0.078 0.000 2.650 2088 F HA 0.828 5.354 4.527 -0.002 0.000 0.320 2088 F C -0.876 174.984 175.800 0.100 0.000 1.091 2088 F CA -1.148 56.908 58.000 0.093 0.000 0.962 2088 F CB 1.658 40.748 39.000 0.149 0.000 1.363 2088 F HN 0.420 nan 8.300 nan 0.000 0.482 2089 D N 1.284 121.782 120.400 0.163 0.000 2.303 2089 D HA 0.242 4.880 4.640 -0.003 0.000 0.236 2089 D C 0.943 177.336 176.300 0.155 0.000 1.068 2089 D CA -0.557 53.466 54.000 0.038 0.000 0.830 2089 D CB 2.049 42.901 40.800 0.087 0.000 1.109 2089 D HN 0.661 nan 8.370 nan 0.000 0.496 2090 V N 2.124 122.035 119.914 -0.005 0.000 3.026 2090 V HA -0.099 4.019 4.120 -0.003 0.000 0.265 2090 V C 1.533 177.695 176.094 0.113 0.000 1.121 2090 V CA 2.054 64.430 62.300 0.127 0.000 1.142 2090 V CB -1.369 30.474 31.823 0.034 0.000 0.730 2090 V HN 0.696 nan 8.190 nan 0.000 0.503 2091 T N -2.589 112.012 114.554 0.079 0.000 3.086 2091 T HA 0.568 4.917 4.350 -0.003 0.000 0.250 2091 T C 0.701 175.446 174.700 0.075 0.000 1.074 2091 T CA 0.501 62.638 62.100 0.061 0.000 0.988 2091 T CB 0.107 68.997 68.868 0.037 0.000 0.988 2091 T HN 1.041 nan 8.240 nan 0.000 0.530 2092 A N 2.137 125.026 122.820 0.116 0.000 2.709 2092 A HA 0.689 5.007 4.320 -0.003 0.000 0.332 2092 A C -2.005 175.670 177.584 0.153 0.000 1.241 2092 A CA -1.534 50.572 52.037 0.114 0.000 0.782 2092 A CB 1.229 20.293 19.000 0.106 0.000 1.109 2092 A HN 0.077 nan 8.150 nan 0.000 0.472 2093 P HA -0.175 nan 4.420 nan 0.000 0.217 2093 P C 1.110 178.483 177.300 0.120 0.000 1.148 2093 P CA 1.280 64.448 63.100 0.113 0.000 0.828 2093 P CB 0.247 31.985 31.700 0.063 0.000 0.783 2094 N N -1.236 117.518 118.700 0.090 0.000 2.289 2094 N HA -0.111 4.627 4.740 -0.003 0.000 0.184 2094 N C 1.641 177.202 175.510 0.085 0.000 1.016 2094 N CA 1.914 55.004 53.050 0.067 0.000 0.872 2094 N CB -1.194 37.326 38.487 0.056 0.000 0.973 2094 N HN 0.322 nan 8.380 nan 0.000 0.433 2095 T N -2.505 112.137 114.554 0.147 0.000 2.995 2095 T HA -0.047 4.302 4.350 -0.003 0.000 0.269 2095 T C 1.749 176.546 174.700 0.162 0.000 1.091 2095 T CA 0.265 62.483 62.100 0.198 0.000 1.128 2095 T CB -0.510 68.511 68.868 0.255 0.000 0.891 2095 T HN 0.225 nan 8.240 nan 0.000 0.492 2096 F N 1.679 121.564 119.950 -0.109 0.000 2.293 2096 F HA 0.314 4.840 4.527 -0.003 0.000 0.297 2096 F C 2.203 177.721 175.800 -0.472 0.000 1.089 2096 F CA 0.516 58.193 58.000 -0.538 0.000 1.377 2096 F CB 0.046 38.602 39.000 -0.740 0.000 1.051 2096 F HN -0.020 nan 8.300 nan 0.000 0.511 2097 K N -0.250 119.964 120.400 -0.311 0.000 2.288 2097 K HA -0.083 4.236 4.320 -0.003 0.000 0.201 2097 K C 1.626 178.031 176.600 -0.324 0.000 1.048 2097 K CA 1.543 57.617 56.287 -0.356 0.000 0.956 2097 K CB -0.276 32.149 32.500 -0.125 0.000 0.746 2097 K HN 0.374 nan 8.250 nan 0.000 0.461 2098 T N -1.312 113.121 114.554 -0.203 0.000 3.129 2098 T HA 0.139 4.487 4.350 -0.003 0.000 0.251 2098 T C 1.589 176.238 174.700 -0.084 0.000 1.117 2098 T CA 0.008 62.034 62.100 -0.124 0.000 1.034 2098 T CB -0.146 68.730 68.868 0.014 0.000 0.968 2098 T HN 0.036 nan 8.240 nan 0.000 0.526 2099 L N 0.843 121.870 121.223 -0.327 0.000 2.083 2099 L HA -0.076 4.263 4.340 -0.003 0.000 0.209 2099 L C 2.584 179.426 176.870 -0.048 0.000 1.083 2099 L CA 1.363 56.016 54.840 -0.312 0.000 0.752 2099 L CB -0.522 40.825 42.059 -1.187 0.000 0.899 2099 L HN 0.253 nan 8.230 nan 0.000 0.433 2100 D N -0.357 120.013 120.400 -0.049 0.000 2.144 2100 D HA -0.139 4.500 4.640 -0.003 0.000 0.200 2100 D C 2.371 178.700 176.300 0.049 0.000 0.978 2100 D CA 1.739 55.832 54.000 0.156 0.000 0.833 2100 D CB 0.132 41.014 40.800 0.137 0.000 0.961 2100 D HN 0.375 nan 8.370 nan 0.000 0.470 2101 S N -0.652 115.009 115.700 -0.064 0.000 2.383 2101 S HA -0.153 4.315 4.470 -0.003 0.000 0.227 2101 S C 2.046 176.573 174.600 -0.122 0.000 1.026 2101 S CA 0.409 58.515 58.200 -0.157 0.000 0.981 2101 S CB -0.952 62.061 63.200 -0.312 0.000 0.818 2101 S HN 0.379 nan 8.310 nan 0.000 0.472 2102 W N 1.995 123.326 121.300 0.051 0.000 2.388 2102 W HA 0.200 4.859 4.660 -0.002 0.000 0.294 2102 W C 2.975 179.606 176.519 0.186 0.000 1.212 2102 W CA 0.514 57.934 57.345 0.125 0.000 1.271 2102 W CB -0.108 29.428 29.460 0.127 0.000 1.126 2102 W HN 0.259 nan 8.180 nan 0.000 0.535 2103 R N 0.766 121.478 120.500 0.352 0.000 2.075 2103 R HA -0.162 4.177 4.340 -0.003 0.000 0.232 2103 R C 1.540 177.993 176.300 0.255 0.000 1.126 2103 R CA 2.164 58.408 56.100 0.239 0.000 0.963 2103 R CB -0.440 29.845 30.300 -0.025 0.000 0.858 2103 R HN 0.016 nan 8.270 nan 0.000 0.435 2104 D N 0.224 120.709 120.400 0.142 0.000 2.117 2104 D HA -0.178 4.460 4.640 -0.003 0.000 0.197 2104 D C 1.735 178.071 176.300 0.059 0.000 0.987 2104 D CA 1.313 55.357 54.000 0.073 0.000 0.829 2104 D CB -0.242 40.561 40.800 0.006 0.000 0.961 2104 D HN 0.306 nan 8.370 nan 0.000 0.460 2105 E N 0.086 120.334 120.200 0.080 0.000 2.085 2105 E HA -0.185 4.163 4.350 -0.003 0.000 0.194 2105 E C 1.873 178.469 176.600 -0.008 0.000 0.994 2105 E CA 0.793 57.210 56.400 0.029 0.000 0.801 2105 E CB -0.549 29.214 29.700 0.106 0.000 0.743 2105 E HN 0.293 nan 8.360 nan 0.000 0.453 2106 F N 0.615 120.620 119.950 0.092 0.000 2.102 2106 F HA -0.127 4.398 4.527 -0.003 0.000 0.298 2106 F C 1.878 177.601 175.800 -0.128 0.000 1.105 2106 F CA 1.617 59.636 58.000 0.031 0.000 1.239 2106 F CB -0.272 38.915 39.000 0.310 0.000 0.991 2106 F HN 0.050 nan 8.300 nan 0.000 0.474 2107 L N -0.049 121.212 121.223 0.063 0.000 2.042 2107 L HA -0.258 4.080 4.340 -0.003 0.000 0.210 2107 L C 2.494 179.198 176.870 -0.276 0.000 1.076 2107 L CA 1.539 56.316 54.840 -0.104 0.000 0.749 2107 L CB -0.747 41.362 42.059 0.085 0.000 0.893 2107 L HN 0.224 nan 8.230 nan 0.000 0.432 2108 I N -0.822 119.606 120.570 -0.236 0.000 2.252 2108 I HA -0.261 3.908 4.170 -0.003 0.000 0.245 2108 I C 2.671 178.560 176.117 -0.379 0.000 1.102 2108 I CA 1.036 62.185 61.300 -0.251 0.000 1.385 2108 I CB -0.241 37.646 38.000 -0.189 0.000 1.064 2108 I HN 0.346 nan 8.210 nan 0.000 0.414 2109 Q N 0.374 119.823 119.800 -0.586 0.000 2.137 2109 Q HA -0.001 4.338 4.340 -0.003 0.000 0.198 2109 Q C 2.293 177.864 176.000 -0.715 0.000 0.960 2109 Q CA 1.601 56.946 55.803 -0.764 0.000 0.847 2109 Q CB -0.291 27.581 28.738 -1.443 0.000 0.915 2109 Q HN 0.535 nan 8.270 nan 0.000 0.448 2110 A N 0.273 122.567 122.820 -0.876 0.000 2.081 2110 A HA 0.077 4.395 4.320 -0.003 0.000 0.214 2110 A C 0.888 178.163 177.584 -0.515 0.000 1.158 2110 A CA 0.433 52.017 52.037 -0.754 0.000 0.724 2110 A CB 0.114 18.327 19.000 -1.313 0.000 0.826 2110 A HN 0.183 nan 8.150 nan 0.000 0.463 2111 S N 0.748 116.173 115.700 -0.457 0.000 3.447 2111 S HA -0.093 4.376 4.470 -0.003 0.000 0.371 2111 S C -2.059 172.391 174.600 -0.251 0.000 0.951 2111 S CA 0.645 58.670 58.200 -0.291 0.000 1.269 2111 S CB -1.516 61.555 63.200 -0.215 0.000 0.919 2111 S HN 0.746 nan 8.310 nan 0.000 0.516 2112 P HA 0.166 nan 4.420 nan 0.000 0.275 2112 P C 1.099 178.339 177.300 -0.100 0.000 1.228 2112 P CA -0.733 62.249 63.100 -0.198 0.000 0.786 2112 P CB 0.650 32.172 31.700 -0.296 0.000 0.927 2113 R N 1.438 121.880 120.500 -0.097 0.000 2.094 2113 R HA -0.164 4.175 4.340 -0.003 0.000 0.239 2113 R C 0.317 176.606 176.300 -0.020 0.000 1.137 2113 R CA 1.670 57.713 56.100 -0.096 0.000 0.943 2113 R CB -0.660 29.490 30.300 -0.250 0.000 0.850 2113 R HN 0.335 nan 8.270 nan 0.000 0.433 2114 D N 0.923 121.338 120.400 0.025 0.000 2.456 2114 D HA 0.216 4.854 4.640 -0.003 0.000 0.287 2114 D C -1.705 174.669 176.300 0.122 0.000 1.186 2114 D CA -2.836 51.203 54.000 0.065 0.000 0.916 2114 D CB 1.420 42.260 40.800 0.067 0.000 1.029 2114 D HN 0.001 nan 8.370 nan 0.000 0.498 2115 P HA -0.180 nan 4.420 nan 0.000 0.216 2115 P C 0.905 178.350 177.300 0.242 0.000 1.150 2115 P CA 0.999 64.207 63.100 0.180 0.000 0.843 2115 P CB 0.567 32.333 31.700 0.110 0.000 0.787 2116 E N -0.428 119.858 120.200 0.143 0.000 2.347 2116 E HA -0.082 4.266 4.350 -0.003 0.000 0.196 2116 E C 1.176 177.853 176.600 0.128 0.000 1.008 2116 E CA 0.709 57.177 56.400 0.114 0.000 0.852 2116 E CB -0.619 29.104 29.700 0.038 0.000 0.783 2116 E HN 0.368 nan 8.360 nan 0.000 0.505 2117 N N -0.453 118.328 118.700 0.136 0.000 2.236 2117 N HA 0.047 4.785 4.740 -0.003 0.000 0.196 2117 N C -0.207 175.367 175.510 0.107 0.000 1.114 2117 N CA -0.215 52.896 53.050 0.101 0.000 0.859 2117 N CB 0.116 38.639 38.487 0.060 0.000 0.982 2117 N HN 0.003 nan 8.380 nan 0.000 0.493 2118 F N 2.682 122.671 119.950 0.065 0.000 2.572 2118 F HA 0.209 4.734 4.527 -0.003 0.000 0.370 2118 F C -1.933 173.820 175.800 -0.078 0.000 1.103 2118 F CA -2.196 55.791 58.000 -0.021 0.000 1.286 2118 F CB 0.556 39.534 39.000 -0.037 0.000 1.105 2118 F HN 0.007 nan 8.300 nan 0.000 0.583 2119 P HA 0.121 nan 4.420 nan 0.000 0.269 2119 P C -1.258 175.768 177.300 -0.458 0.000 1.252 2119 P CA 0.515 63.279 63.100 -0.560 0.000 0.780 2119 P CB -0.086 31.265 31.700 -0.582 0.000 0.829 2120 F N 1.997 121.933 119.950 -0.023 0.000 2.522 2120 F HA 0.539 5.064 4.527 -0.003 0.000 0.324 2120 F C 0.173 176.003 175.800 0.050 0.000 1.077 2120 F CA -0.891 57.130 58.000 0.035 0.000 0.944 2120 F CB 1.929 40.988 39.000 0.099 0.000 1.175 2120 F HN -0.030 nan 8.300 nan 0.000 0.468 2121 V N 3.085 123.163 119.914 0.273 0.000 2.638 2121 V HA 0.489 4.607 4.120 -0.003 0.000 0.306 2121 V C -0.869 175.398 176.094 0.288 0.000 1.052 2121 V CA -0.863 61.583 62.300 0.243 0.000 0.885 2121 V CB 2.027 33.919 31.823 0.115 0.000 0.999 2121 V HN 0.487 nan 8.190 nan 0.000 0.424 2122 V N 6.048 126.196 119.914 0.390 0.000 2.427 2122 V HA 0.535 4.654 4.120 -0.003 0.000 0.286 2122 V C -0.312 176.058 176.094 0.461 0.000 1.034 2122 V CA -0.497 62.083 62.300 0.468 0.000 0.893 2122 V CB 1.635 33.830 31.823 0.621 0.000 0.982 2122 V HN 0.630 nan 8.190 nan 0.000 0.452 2123 L N 4.203 125.608 121.223 0.302 0.000 2.325 2123 L HA 0.668 5.006 4.340 -0.003 0.000 0.281 2123 L C 0.613 177.425 176.870 -0.096 0.000 1.004 2123 L CA -0.482 54.421 54.840 0.105 0.000 0.823 2123 L CB 1.800 43.843 42.059 -0.027 0.000 1.236 2123 L HN 0.758 nan 8.230 nan 0.000 0.415 2124 G N 2.517 111.173 108.800 -0.240 0.000 2.475 2124 G HA2 0.173 4.131 3.960 -0.003 0.000 0.322 2124 G HA3 0.173 4.131 3.960 -0.003 0.000 0.322 2124 G C -0.586 174.032 174.900 -0.471 0.000 1.044 2124 G CA -0.318 44.252 45.100 -0.883 0.000 1.047 2124 G HN 0.688 nan 8.290 nan 0.000 0.436 2125 N N 1.670 120.113 118.700 -0.429 0.000 2.476 2125 N HA 0.262 5.001 4.740 -0.003 0.000 0.276 2125 N C 0.048 175.472 175.510 -0.143 0.000 1.204 2125 N CA -0.581 52.348 53.050 -0.203 0.000 0.974 2125 N CB 0.563 38.977 38.487 -0.122 0.000 1.204 2125 N HN 0.438 nan 8.380 nan 0.000 0.543 2126 K N 0.743 121.092 120.400 -0.085 0.000 3.299 2126 K HA -0.107 4.211 4.320 -0.003 0.000 0.284 2126 K C 1.076 177.643 176.600 -0.056 0.000 1.235 2126 K CA 0.527 56.780 56.287 -0.056 0.000 0.833 2126 K CB -2.085 30.399 32.500 -0.026 0.000 1.330 2126 K HN 0.647 nan 8.250 nan 0.000 0.510 2127 I N -1.367 119.162 120.570 -0.067 0.000 2.916 2127 I HA -0.160 4.008 4.170 -0.003 0.000 0.267 2127 I C 1.746 177.836 176.117 -0.044 0.000 1.263 2127 I CA 1.564 62.833 61.300 -0.051 0.000 1.471 2127 I CB -0.322 37.646 38.000 -0.054 0.000 1.089 2127 I HN 0.182 nan 8.210 nan 0.000 0.468 2128 D N 1.860 122.226 120.400 -0.057 0.000 2.347 2128 D HA -0.038 4.600 4.640 -0.003 0.000 0.215 2128 D C 0.910 177.188 176.300 -0.037 0.000 0.976 2128 D CA 0.269 54.236 54.000 -0.056 0.000 0.884 2128 D CB -0.026 40.721 40.800 -0.087 0.000 0.915 2128 D HN 0.420 nan 8.370 nan 0.000 0.526 2129 L N 1.859 123.066 121.223 -0.027 0.000 2.349 2129 L HA 0.105 4.444 4.340 -0.003 0.000 0.275 2129 L C 2.017 178.884 176.870 -0.006 0.000 1.115 2129 L CA -0.478 54.355 54.840 -0.012 0.000 0.820 2129 L CB 1.520 43.578 42.059 -0.003 0.000 1.135 2129 L HN 0.013 nan 8.230 nan 0.000 0.445 2130 E N 2.080 122.279 120.200 -0.002 0.000 2.274 2130 E HA -0.167 4.182 4.350 -0.003 0.000 0.194 2130 E C 0.298 176.900 176.600 0.004 0.000 0.996 2130 E CA 0.732 57.132 56.400 -0.000 0.000 0.840 2130 E CB -0.156 29.544 29.700 0.001 0.000 0.772 2130 E HN 0.728 nan 8.360 nan 0.000 0.491 2131 N N 2.044 120.748 118.700 0.007 0.000 2.802 2131 N HA 0.003 4.741 4.740 -0.003 0.000 0.288 2131 N C -0.341 175.178 175.510 0.015 0.000 1.268 2131 N CA -0.248 52.808 53.050 0.011 0.000 1.035 2131 N CB -0.122 38.373 38.487 0.013 0.000 1.353 2131 N HN 0.082 nan 8.380 nan 0.000 0.522 2132 R N 0.588 121.096 120.500 0.013 0.000 2.538 2132 R HA -0.028 4.310 4.340 -0.003 0.000 0.282 2132 R C 0.357 176.668 176.300 0.018 0.000 1.009 2132 R CA 0.673 56.785 56.100 0.019 0.000 1.063 2132 R CB 0.497 30.806 30.300 0.015 0.000 0.945 2132 R HN 0.357 nan 8.270 nan 0.000 0.414 2133 Q N 2.553 122.369 119.800 0.026 0.000 2.140 2133 Q HA 0.168 4.507 4.340 -0.003 0.000 0.227 2133 Q C -0.828 175.165 176.000 -0.011 0.000 0.798 2133 Q CA -0.129 55.682 55.803 0.013 0.000 0.987 2133 Q CB 1.670 30.422 28.738 0.022 0.000 1.161 2133 Q HN 0.365 nan 8.270 nan 0.000 0.480 2134 V N 1.681 121.590 119.914 -0.008 0.000 2.357 2134 V HA 0.499 4.617 4.120 -0.003 0.000 0.284 2134 V C -0.015 176.022 176.094 -0.095 0.000 1.018 2134 V CA -0.738 61.490 62.300 -0.119 0.000 0.841 2134 V CB 1.187 32.922 31.823 -0.146 0.000 0.991 2134 V HN 0.215 nan 8.190 nan 0.000 0.437 2135 A N 3.913 126.653 122.820 -0.133 0.000 2.462 2135 A HA 0.344 4.662 4.320 -0.003 0.000 0.243 2135 A C 1.490 179.035 177.584 -0.064 0.000 1.076 2135 A CA 0.321 52.314 52.037 -0.073 0.000 0.773 2135 A CB 0.176 19.137 19.000 -0.066 0.000 1.010 2135 A HN 0.868 nan 8.150 nan 0.000 0.493 2136 T N 1.278 115.847 114.554 0.026 0.000 2.720 2136 T HA -0.166 4.183 4.350 -0.003 0.000 0.268 2136 T C 1.943 176.668 174.700 0.042 0.000 1.037 2136 T CA 1.886 64.053 62.100 0.111 0.000 1.144 2136 T CB -0.180 68.769 68.868 0.135 0.000 0.864 2136 T HN 0.761 nan 8.240 nan 0.000 0.444 2137 K N 0.926 121.329 120.400 0.005 0.000 2.057 2137 K HA -0.118 4.200 4.320 -0.003 0.000 0.207 2137 K C 2.513 179.093 176.600 -0.034 0.000 1.049 2137 K CA 1.190 57.472 56.287 -0.008 0.000 0.931 2137 K CB -0.100 32.393 32.500 -0.011 0.000 0.714 2137 K HN 0.175 nan 8.250 nan 0.000 0.440 2138 R N 0.125 120.577 120.500 -0.080 0.000 2.081 2138 R HA -0.129 4.210 4.340 -0.003 0.000 0.235 2138 R C 2.124 178.354 176.300 -0.116 0.000 1.131 2138 R CA 1.477 57.516 56.100 -0.102 0.000 0.960 2138 R CB -0.319 29.861 30.300 -0.200 0.000 0.856 2138 R HN 0.280 nan 8.270 nan 0.000 0.436 2139 A N 0.656 123.287 122.820 -0.316 0.000 1.898 2139 A HA -0.179 4.139 4.320 -0.003 0.000 0.216 2139 A C 2.050 179.496 177.584 -0.230 0.000 1.181 2139 A CA 1.333 53.165 52.037 -0.342 0.000 0.620 2139 A CB -0.410 18.250 19.000 -0.566 0.000 0.819 2139 A HN 0.502 nan 8.150 nan 0.000 0.442 2140 Q N -0.580 119.096 119.800 -0.206 0.000 2.124 2140 Q HA -0.090 4.248 4.340 -0.003 0.000 0.202 2140 Q C 2.379 178.419 176.000 0.066 0.000 0.977 2140 Q CA 1.342 57.114 55.803 -0.052 0.000 0.850 2140 Q CB -0.388 28.373 28.738 0.038 0.000 0.901 2140 Q HN 0.687 nan 8.270 nan 0.000 0.429 2141 A N 0.102 122.972 122.820 0.082 0.000 1.933 2141 A HA -0.197 4.121 4.320 -0.003 0.000 0.218 2141 A C 1.709 179.396 177.584 0.171 0.000 1.175 2141 A CA 1.145 53.256 52.037 0.123 0.000 0.628 2141 A CB -0.929 18.130 19.000 0.098 0.000 0.814 2141 A HN 0.647 nan 8.150 nan 0.000 0.444 2142 W N 0.118 121.453 121.300 0.059 0.000 2.381 2142 W HA -0.208 4.450 4.660 -0.003 0.000 0.301 2142 W C 2.247 178.762 176.519 -0.007 0.000 1.205 2142 W CA 1.808 59.170 57.345 0.029 0.000 1.285 2142 W CB -0.543 28.950 29.460 0.055 0.000 1.133 2142 W HN 0.351 nan 8.180 nan 0.000 0.521 2143 C N -0.879 118.497 119.300 0.125 0.000 2.425 2143 C HA -0.202 4.257 4.460 -0.003 0.000 0.277 2143 C C 2.492 177.417 174.990 -0.109 0.000 1.280 2143 C CA 1.205 60.205 59.018 -0.030 0.000 1.744 2143 C CB -1.798 26.029 27.740 0.145 0.000 1.989 2143 C HN 0.510 nan 8.230 nan 0.000 0.491 2144 Y N 2.335 122.568 120.300 -0.110 0.000 2.274 2144 Y HA -0.197 4.351 4.550 -0.003 0.000 0.290 2144 Y C 2.668 178.472 175.900 -0.161 0.000 1.145 2144 Y CA 1.833 59.873 58.100 -0.100 0.000 1.203 2144 Y CB -0.145 38.282 38.460 -0.054 0.000 0.984 2144 Y HN 0.418 nan 8.280 nan 0.000 0.533 2145 S N -0.820 114.743 115.700 -0.229 0.000 2.515 2145 S HA -0.047 4.421 4.470 -0.003 0.000 0.231 2145 S C 0.994 175.329 174.600 -0.442 0.000 0.987 2145 S CA 0.421 58.431 58.200 -0.317 0.000 0.936 2145 S CB -0.173 62.867 63.200 -0.266 0.000 0.766 2145 S HN 0.177 nan 8.310 nan 0.000 0.528 2146 K N 2.258 122.334 120.400 -0.539 0.000 3.101 2146 K HA 0.264 4.582 4.320 -0.003 0.000 0.229 2146 K C 0.039 176.441 176.600 -0.330 0.000 1.232 2146 K CA -0.206 55.773 56.287 -0.514 0.000 1.210 2146 K CB -0.794 31.251 32.500 -0.757 0.000 1.284 2146 K HN 0.379 nan 8.250 nan 0.000 0.448 2147 N N 2.400 120.907 118.700 -0.322 0.000 2.740 2147 N HA -0.260 4.478 4.740 -0.003 0.000 0.248 2147 N C -0.533 174.838 175.510 -0.230 0.000 1.062 2147 N CA 0.982 53.876 53.050 -0.259 0.000 0.704 2147 N CB -1.813 36.592 38.487 -0.137 0.000 0.968 2147 N HN 0.759 nan 8.380 nan 0.000 0.547 2148 N N -1.056 117.450 118.700 -0.323 0.000 2.746 2148 N HA -0.224 4.514 4.740 -0.003 0.000 0.250 2148 N C -0.138 175.356 175.510 -0.027 0.000 1.055 2148 N CA 0.757 53.706 53.050 -0.167 0.000 0.699 2148 N CB -1.211 37.193 38.487 -0.139 0.000 0.919 2148 N HN 0.633 nan 8.380 nan 0.000 0.548 2149 I N -2.058 118.503 120.570 -0.016 0.000 2.662 2149 I HA 0.523 4.692 4.170 -0.003 0.000 0.291 2149 I C -2.092 174.099 176.117 0.124 0.000 1.046 2149 I CA -1.825 59.521 61.300 0.076 0.000 1.361 2149 I CB 0.569 38.638 38.000 0.115 0.000 1.429 2149 I HN -0.073 nan 8.210 nan 0.000 0.558 2150 P HA 0.101 nan 4.420 nan 0.000 0.268 2150 P C -1.445 175.967 177.300 0.187 0.000 1.204 2150 P CA 0.413 63.577 63.100 0.106 0.000 0.768 2150 P CB 0.173 31.972 31.700 0.166 0.000 0.842 2151 Y N 3.767 123.975 120.300 -0.152 0.000 2.425 2151 Y HA 0.660 5.208 4.550 -0.003 0.000 0.344 2151 Y C -1.689 173.990 175.900 -0.368 0.000 0.969 2151 Y CA -1.422 56.647 58.100 -0.051 0.000 1.052 2151 Y CB 1.043 39.541 38.460 0.064 0.000 1.215 2151 Y HN 0.220 nan 8.280 nan 0.000 0.451 2152 F N 3.216 122.888 119.950 -0.463 0.000 2.569 2152 F HA 0.437 4.963 4.527 -0.003 0.000 0.312 2152 F C -0.435 174.956 175.800 -0.682 0.000 1.109 2152 F CA -0.942 56.764 58.000 -0.491 0.000 0.919 2152 F CB 2.119 40.973 39.000 -0.243 0.000 1.211 2152 F HN 0.402 nan 8.300 nan 0.000 0.446 2153 E N 1.431 121.390 120.200 -0.401 0.000 2.197 2153 E HA 0.554 4.902 4.350 -0.003 0.000 0.281 2153 E C -0.569 175.957 176.600 -0.122 0.000 0.995 2153 E CA -0.545 55.684 56.400 -0.285 0.000 0.808 2153 E CB 1.853 31.425 29.700 -0.214 0.000 1.093 2153 E HN 0.667 nan 8.360 nan 0.000 0.394 2154 T N -0.938 113.546 114.554 -0.116 0.000 2.883 2154 T HA 0.551 4.899 4.350 -0.003 0.000 0.296 2154 T C -0.549 174.104 174.700 -0.079 0.000 1.117 2154 T CA -0.955 61.099 62.100 -0.077 0.000 1.006 2154 T CB 1.818 70.646 68.868 -0.067 0.000 1.191 2154 T HN 0.220 nan 8.240 nan 0.000 0.508 2155 S N -0.372 115.287 115.700 -0.069 0.000 2.779 2155 S HA 0.601 5.070 4.470 -0.003 0.000 0.293 2155 S C 1.023 175.563 174.600 -0.100 0.000 1.150 2155 S CA -0.168 57.975 58.200 -0.094 0.000 1.057 2155 S CB 0.668 63.799 63.200 -0.114 0.000 1.021 2155 S HN 1.144 nan 8.310 nan 0.000 0.485 2156 A N 4.964 127.736 122.820 -0.081 0.000 1.968 2156 A HA 0.035 4.354 4.320 -0.003 0.000 0.217 2156 A C 1.971 179.364 177.584 -0.317 0.000 1.169 2156 A CA 1.436 53.449 52.037 -0.040 0.000 0.638 2156 A CB -0.401 18.684 19.000 0.143 0.000 0.812 2156 A HN 0.813 nan 8.150 nan 0.000 0.446 2157 K N -0.341 119.639 120.400 -0.699 0.000 2.025 2157 K HA -0.118 4.200 4.320 -0.003 0.000 0.207 2157 K C 1.063 177.298 176.600 -0.607 0.000 1.049 2157 K CA 1.534 57.006 56.287 -1.358 0.000 0.933 2157 K CB -0.006 31.839 32.500 -1.093 0.000 0.714 2157 K HN 0.309 nan 8.250 nan 0.000 0.438 2158 E N -0.401 119.600 120.200 -0.331 0.000 2.463 2158 E HA 0.115 4.464 4.350 -0.003 0.000 0.193 2158 E C -0.189 176.343 176.600 -0.114 0.000 1.041 2158 E CA 0.514 56.806 56.400 -0.180 0.000 0.879 2158 E CB 0.935 30.556 29.700 -0.132 0.000 0.997 2158 E HN 0.398 nan 8.360 nan 0.000 0.478 2159 A N 1.407 124.161 122.820 -0.110 0.000 2.610 2159 A HA -0.218 4.100 4.320 -0.003 0.000 0.299 2159 A C 0.179 177.746 177.584 -0.029 0.000 1.487 2159 A CA 0.544 52.555 52.037 -0.044 0.000 0.743 2159 A CB -2.464 16.523 19.000 -0.021 0.000 1.070 2159 A HN 0.297 nan 8.150 nan 0.000 0.439 2160 I N -0.010 120.537 120.570 -0.039 0.000 2.339 2160 I HA 0.312 4.480 4.170 -0.003 0.000 0.290 2160 I C 1.123 177.229 176.117 -0.017 0.000 0.994 2160 I CA -0.493 60.791 61.300 -0.027 0.000 1.191 2160 I CB 1.221 39.197 38.000 -0.040 0.000 1.343 2160 I HN 0.465 nan 8.210 nan 0.000 0.458 2161 N N 3.339 122.038 118.700 -0.003 0.000 2.778 2161 N HA -0.162 4.576 4.740 -0.003 0.000 0.249 2161 N C 0.845 176.328 175.510 -0.045 0.000 1.069 2161 N CA 0.886 53.933 53.050 -0.005 0.000 0.831 2161 N CB -0.706 37.793 38.487 0.021 0.000 1.142 2161 N HN 0.441 nan 8.380 nan 0.000 0.573 2162 V N -0.170 119.746 119.914 0.004 0.000 2.323 2162 V HA -0.142 3.976 4.120 -0.003 0.000 0.244 2162 V C 2.207 178.362 176.094 0.103 0.000 1.041 2162 V CA 2.218 64.559 62.300 0.069 0.000 1.025 2162 V CB -0.311 31.589 31.823 0.127 0.000 0.656 2162 V HN 0.332 nan 8.190 nan 0.000 0.451 2163 E N 0.326 120.586 120.200 0.100 0.000 2.110 2163 E HA -0.240 4.109 4.350 -0.003 0.000 0.193 2163 E C 2.164 178.775 176.600 0.018 0.000 0.988 2163 E CA 1.441 57.919 56.400 0.130 0.000 0.804 2163 E CB -0.176 29.593 29.700 0.116 0.000 0.745 2163 E HN 0.654 nan 8.360 nan 0.000 0.458 2164 Q N -0.156 119.611 119.800 -0.055 0.000 2.046 2164 Q HA -0.018 4.320 4.340 -0.003 0.000 0.200 2164 Q C 2.161 177.892 176.000 -0.448 0.000 0.975 2164 Q CA 1.788 57.517 55.803 -0.124 0.000 0.836 2164 Q CB -0.408 28.317 28.738 -0.021 0.000 0.896 2164 Q HN 0.371 nan 8.270 nan 0.000 0.428 2165 A N -0.042 122.341 122.820 -0.729 0.000 1.902 2165 A HA -0.159 4.159 4.320 -0.003 0.000 0.217 2165 A C 1.786 178.865 177.584 -0.842 0.000 1.181 2165 A CA 1.260 52.472 52.037 -1.375 0.000 0.623 2165 A CB -0.816 17.563 19.000 -1.034 0.000 0.818 2165 A HN 0.386 nan 8.150 nan 0.000 0.443 2166 F N -0.094 119.518 119.950 -0.563 0.000 2.502 2166 F HA -0.107 4.418 4.527 -0.003 0.000 0.298 2166 F C 2.688 178.306 175.800 -0.303 0.000 1.111 2166 F CA 1.160 58.829 58.000 -0.553 0.000 1.445 2166 F CB 0.075 38.369 39.000 -1.177 0.000 1.081 2166 F HN 0.226 nan 8.300 nan 0.000 0.558 2167 Q N -0.490 119.262 119.800 -0.080 0.000 2.123 2167 Q HA -0.108 4.230 4.340 -0.003 0.000 0.199 2167 Q C 2.239 178.217 176.000 -0.037 0.000 0.966 2167 Q CA 1.682 57.480 55.803 -0.009 0.000 0.845 2167 Q CB -0.699 28.043 28.738 0.008 0.000 0.907 2167 Q HN 0.298 nan 8.270 nan 0.000 0.439 2168 T N 1.511 115.999 114.554 -0.110 0.000 2.812 2168 T HA -0.015 4.333 4.350 -0.003 0.000 0.264 2168 T C 2.038 176.703 174.700 -0.058 0.000 1.042 2168 T CA 0.603 62.690 62.100 -0.023 0.000 1.140 2168 T CB -0.126 68.810 68.868 0.114 0.000 0.870 2168 T HN 0.161 nan 8.240 nan 0.000 0.445 2169 I N 1.444 121.916 120.570 -0.163 0.000 2.163 2169 I HA -0.230 3.938 4.170 -0.003 0.000 0.243 2169 I C 2.874 178.964 176.117 -0.044 0.000 1.085 2169 I CA 1.263 62.478 61.300 -0.141 0.000 1.347 2169 I CB -0.462 37.357 38.000 -0.301 0.000 1.044 2169 I HN 0.190 nan 8.210 nan 0.000 0.408 2170 A N 0.769 123.592 122.820 0.005 0.000 1.877 2170 A HA -0.263 4.055 4.320 -0.003 0.000 0.216 2170 A C 2.442 180.038 177.584 0.021 0.000 1.186 2170 A CA 2.005 54.072 52.037 0.049 0.000 0.620 2170 A CB -0.697 18.357 19.000 0.090 0.000 0.822 2170 A HN 0.398 nan 8.150 nan 0.000 0.443 2171 R N -0.376 120.131 120.500 0.012 0.000 2.081 2171 R HA -0.166 4.172 4.340 -0.003 0.000 0.235 2171 R C 1.664 177.957 176.300 -0.011 0.000 1.131 2171 R CA 1.929 58.034 56.100 0.009 0.000 0.960 2171 R CB -0.314 29.997 30.300 0.019 0.000 0.856 2171 R HN 0.509 nan 8.270 nan 0.000 0.436 2172 N N 0.534 119.217 118.700 -0.029 0.000 2.216 2172 N HA -0.069 4.670 4.740 -0.003 0.000 0.183 2172 N C 1.539 176.984 175.510 -0.109 0.000 1.017 2172 N CA 1.398 54.408 53.050 -0.067 0.000 0.861 2172 N CB -0.376 38.066 38.487 -0.074 0.000 0.986 2172 N HN 0.333 nan 8.380 nan 0.000 0.428 2173 A N 0.995 123.763 122.820 -0.087 0.000 1.902 2173 A HA -0.092 4.226 4.320 -0.003 0.000 0.217 2173 A C 2.174 179.730 177.584 -0.046 0.000 1.181 2173 A CA 1.020 53.010 52.037 -0.079 0.000 0.623 2173 A CB -0.764 18.227 19.000 -0.014 0.000 0.818 2173 A HN 0.235 nan 8.150 nan 0.000 0.443 2174 L N 0.138 121.350 121.223 -0.019 0.000 2.012 2174 L HA -0.161 4.177 4.340 -0.003 0.000 0.210 2174 L C 2.321 179.183 176.870 -0.014 0.000 1.073 2174 L CA 2.740 57.578 54.840 -0.003 0.000 0.748 2174 L CB -0.626 41.439 42.059 0.009 0.000 0.891 2174 L HN 0.486 nan 8.230 nan 0.000 0.431 2175 K N -1.059 119.325 120.400 -0.027 0.000 2.063 2175 K HA -0.288 4.031 4.320 -0.003 0.000 0.208 2175 K C 2.232 178.808 176.600 -0.041 0.000 1.048 2175 K CA 1.814 58.085 56.287 -0.027 0.000 0.928 2175 K CB -0.173 32.307 32.500 -0.033 0.000 0.713 2175 K HN 0.433 nan 8.250 nan 0.000 0.442 2176 Q N 1.262 121.011 119.800 -0.085 0.000 2.050 2176 Q HA -0.201 4.137 4.340 -0.003 0.000 0.202 2176 Q C 1.982 177.962 176.000 -0.034 0.000 0.980 2176 Q CA 1.920 57.662 55.803 -0.102 0.000 0.840 2176 Q CB -0.247 28.349 28.738 -0.236 0.000 0.898 2176 Q HN 0.329 nan 8.270 nan 0.000 0.424 2177 E N -0.708 119.482 120.200 -0.017 0.000 2.085 2177 E HA -0.167 4.181 4.350 -0.003 0.000 0.194 2177 E C 1.647 178.260 176.600 0.023 0.000 0.994 2177 E CA 1.833 58.242 56.400 0.014 0.000 0.801 2177 E CB -0.140 29.572 29.700 0.020 0.000 0.743 2177 E HN 0.495 nan 8.360 nan 0.000 0.453 2178 T N 1.080 115.644 114.554 0.017 0.000 2.777 2178 T HA -0.117 4.231 4.350 -0.003 0.000 0.266 2178 T C 1.685 176.409 174.700 0.041 0.000 1.040 2178 T CA 1.420 63.536 62.100 0.027 0.000 1.141 2178 T CB -0.154 68.725 68.868 0.019 0.000 0.868 2178 T HN 0.303 nan 8.240 nan 0.000 0.444 2179 E N 0.679 120.902 120.200 0.038 0.000 2.106 2179 E HA -0.092 4.257 4.350 -0.003 0.000 0.192 2179 E C 2.494 179.157 176.600 0.104 0.000 0.984 2179 E CA 1.294 57.735 56.400 0.068 0.000 0.806 2179 E CB -0.193 29.537 29.700 0.050 0.000 0.750 2179 E HN 0.506 nan 8.360 nan 0.000 0.458 2180 V N -1.130 118.821 119.914 0.062 0.000 2.719 2180 V HA -0.104 4.015 4.120 -0.003 0.000 0.252 2180 V C 2.003 178.161 176.094 0.108 0.000 1.065 2180 V CA 1.442 63.779 62.300 0.061 0.000 1.086 2180 V CB -0.282 31.546 31.823 0.008 0.000 0.700 2180 V HN 0.106 nan 8.190 nan 0.000 0.467 2181 E N 0.481 120.729 120.200 0.080 0.000 2.110 2181 E HA -0.106 4.242 4.350 -0.003 0.000 0.193 2181 E C 2.053 178.705 176.600 0.086 0.000 0.988 2181 E CA 1.531 57.974 56.400 0.072 0.000 0.804 2181 E CB -0.113 29.617 29.700 0.051 0.000 0.745 2181 E HN 0.666 nan 8.360 nan 0.000 0.458 2182 L N -0.133 121.148 121.223 0.098 0.000 2.492 2182 L HA -0.037 4.301 4.340 -0.003 0.000 0.223 2182 L C 1.755 178.692 176.870 0.111 0.000 1.132 2182 L CA 0.138 55.029 54.840 0.086 0.000 0.850 2182 L CB -0.112 41.988 42.059 0.069 0.000 0.966 2182 L HN 0.222 nan 8.230 nan 0.000 0.454 2183 Y N 0.233 120.542 120.300 0.016 0.000 2.380 2183 Y HA 0.043 4.592 4.550 -0.003 0.000 0.255 2183 Y C 1.459 177.368 175.900 0.014 0.000 1.051 2183 Y CA 0.495 58.604 58.100 0.016 0.000 1.097 2183 Y CB 0.279 38.752 38.460 0.021 0.000 1.034 2183 Y HN 0.073 nan 8.280 nan 0.000 0.479 2184 N N 0.000 118.983 118.700 0.472 0.000 1.763 2184 N HA 0.000 4.738 4.740 -0.003 0.000 0.220 2184 N CA 0.000 53.216 53.050 0.276 0.000 0.885 2184 N CB 0.000 38.671 38.487 0.306 0.000 1.341 2184 N HN 0.000 nan 8.380 nan 0.000 0.667