============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 87 rings ring int. center anis. iso. PHE 26 1.000 17.352 44.225 -50.908 -99.200 -91.000 TYR 28 0.840 23.924 39.536 -56.880 -99.200 -91.000 TYR 42 0.840 19.393 53.889 -70.701 -99.200 -91.000 TYR 65 0.840 23.922 63.081 -55.349 -99.200 -91.000 HIS 70 0.900 13.238 62.611 -44.974 -99.200 -91.000 TRP 71 1.040 9.640 63.172 -47.808 -99.200 -91.000 TRP6 71 1.020 9.042 65.127 -48.962 -99.200 -91.000 PHE 111 1.000 12.173 68.674 -58.899 -99.200 -91.000 PHE 132 1.000 -0.888 39.161 -53.009 -99.200 -91.000 HIS 150 0.900 -7.499 49.870 -41.832 -99.200 -91.000 PHE 164 1.000 -5.495 34.506 -30.067 -99.200 -91.000 PHE 172 1.000 2.978 49.950 -49.128 -99.200 -91.000 TYR 183 0.840 2.010 30.249 -31.050 -99.200 -91.000 PHE 188 1.000 -4.573 39.847 -32.190 -99.200 -91.000 TRP 213 1.040 -1.357 23.830 -44.557 -99.200 -91.000 TRP6 213 1.020 -2.812 24.480 -46.282 -99.200 -91.000 TYR 216 0.840 6.717 23.940 -52.455 -99.200 -91.000 PHE 237 1.000 15.303 20.856 -43.285 -99.200 -91.000 HIS 243 0.900 10.505 36.082 -43.562 -99.200 -91.000 TYR 261 0.840 7.782 23.815 -61.190 -99.200 -91.000 PHE 286 1.000 2.385 30.423 -55.406 -99.200 -91.000 PHE 317 1.000 17.598 34.742 -66.042 -99.200 -91.000 TYR 330 0.840 17.891 46.571 -74.161 -99.200 -91.000 PHE 348 1.000 17.785 30.359 -69.920 -99.200 -91.000 TYR 354 0.840 23.547 23.351 -59.790 -99.200 -91.000 PHE 362 1.000 18.631 31.895 -37.263 -99.200 -91.000 PHE 364 1.000 18.198 33.799 -32.156 -99.200 -91.000 PHE 367 1.000 21.466 40.795 -30.666 -99.200 -91.000 PHE 409 1.000 22.996 17.010 -40.232 -99.200 -91.000 TRP 437 1.040 24.097 21.305 -36.057 -99.200 -91.000 TRP6 437 1.020 23.613 23.570 -36.457 -99.200 -91.000 TYR 438 0.840 19.144 20.606 -29.766 -99.200 -91.000 PHE 443 1.000 15.882 11.293 -37.862 -99.200 -91.000 PHE 453 1.000 5.176 15.344 -41.163 -99.200 -91.000 TRP 461 1.040 12.860 13.853 -51.197 -99.200 -91.000 TRP6 461 1.020 14.595 15.505 -51.385 -99.200 -91.000 PHE 462 1.000 13.686 18.931 -47.675 -99.200 -91.000 PHE 488 1.000 32.060 3.632 -44.253 -99.200 -91.000 PHE 497 1.000 28.876 11.816 -43.356 -99.200 -91.000 TYR 520 0.840 42.126 5.213 -48.914 -99.200 -91.000 HIS 523 0.900 42.837 14.461 -53.775 -99.200 -91.000 TYR 526 0.840 36.834 21.933 -57.349 -99.200 -91.000 PHE 536 1.000 21.631 25.360 -74.900 -99.200 -91.000 TYR 542 0.840 28.369 30.466 -59.864 -99.200 -91.000 TYR 544 0.840 28.432 22.220 -58.435 -99.200 -91.000 TYR 547 0.840 34.947 14.162 -52.513 -99.200 -91.000 PHE 578 1.000 35.536 42.429 -41.828 -99.200 -91.000 TYR 580 0.840 34.081 48.786 -50.424 -99.200 -91.000 HIS 584 0.900 37.100 48.332 -53.688 -99.200 -91.000 TYR 594 0.840 49.175 39.732 -60.044 -99.200 -91.000 TYR 610 0.840 27.688 35.557 -63.803 -99.200 -91.000 TYR 617 0.840 37.594 26.945 -57.892 -99.200 -91.000 PHE 618 1.000 27.944 30.339 -53.755 -99.200 -91.000 TYR 642 0.840 42.190 42.929 -48.601 -99.200 -91.000 PHE 678 1.000 49.238 44.607 -28.867 -99.200 -91.000 HIS 680 0.900 55.750 38.729 -24.046 -99.200 -91.000 TYR 710 0.840 38.262 46.436 -9.080 -99.200 -91.000 TYR 722 0.840 32.213 50.843 -13.716 -99.200 -91.000 TYR 730 0.840 32.817 38.378 -15.553 -99.200 -91.000 PHE 731 1.000 36.413 35.762 -12.370 -99.200 -91.000 HIS 739 0.900 42.279 51.070 -14.783 -99.200 -91.000 PHE 740 1.000 36.060 51.442 -19.048 -99.200 -91.000 HIS 766 0.900 35.936 54.770 -31.969 -99.200 -91.000 HIS 773 0.900 33.518 46.401 -30.934 -99.200 -91.000 TYR 784 0.840 33.835 64.967 -32.373 -99.200 -91.000 PHE 803 1.000 58.243 50.895 -41.290 -99.200 -91.000 PHE 815 1.000 46.806 54.438 -31.488 -99.200 -91.000 TYR 823 0.840 46.761 55.307 -21.206 -99.200 -91.000 PHE 837 1.000 33.710 56.890 -42.239 -99.200 -91.000 TYR 872 0.840 34.907 65.259 -48.198 -99.200 -91.000 TYR 873 0.840 34.831 67.920 -39.564 -99.200 -91.000 PHE 882 1.000 20.481 47.313 -28.898 -99.200 -91.000 PHE 885 1.000 17.212 39.926 -32.135 -99.200 -91.000 PHE 909 1.000 30.830 65.981 -35.019 -99.200 -91.000 PHE 913 1.000 26.169 62.746 -34.441 -99.200 -91.000 HIS 927 0.900 9.150 69.864 -32.218 -99.200 -91.000 PHE 954 1.000 14.653 69.661 -27.919 -99.200 -91.000 HIS 960 0.900 15.611 63.559 -5.675 -99.200 -91.000 HIS 980 0.900 12.456 53.778 -7.748 -99.200 -91.000 HIS 985 0.900 5.335 55.258 -14.394 -99.200 -91.000 TYR 995 0.840 9.749 62.609 -21.495 -99.200 -91.000 TYR 997 0.840 18.054 63.907 -26.855 -99.200 -91.000 TYR 1021 0.840 5.369 53.368 -26.019 -99.200 -91.000 HIS 1024 0.900 18.151 60.101 -31.341 -99.200 -91.000 TYR 1025 0.840 17.577 54.736 -26.893 -99.200 -91.000 PHE 1033 1.000 27.797 67.881 -24.023 -99.200 -91.000 HIS 1054 0.900 36.024 60.001 -53.568 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1a9xC1 MET 2001 HA 0.00 -0.07 0.23 -0.75 4.52 3.92 1a9xC1 MET 2001 HB2 0.01 -0.04 0.04 -0.04 2.15 2.12 1a9xC1 MET 2001 HB3 0.03 -0.03 -0.13 -0.04 2.03 1.86 1a9xC1 MET 2001 HG2 0.04 -0.07 -0.03 -0.04 2.63 2.53 1a9xC1 MET 2001 HG3 0.03 -0.03 0.03 -0.04 2.56 2.55 1a9xC1 MET 2001 HE3 0.01 0.01 0.01 -0.04 2.10 2.09 1a9xC1 PRO 2002 HA -0.17 -0.00 0.47 -0.51 4.44 4.23 1a9xC1 PRO 2002 HB2 -0.09 0.01 0.14 -0.04 2.28 2.30 1a9xC1 PRO 2002 HB3 0.03 -0.02 0.10 -0.04 2.02 2.10 1a9xC1 PRO 2002 HG2 -0.02 0.03 0.02 -0.04 2.03 2.02 1a9xC1 PRO 2002 HG3 0.01 -0.04 0.02 -0.04 2.03 1.99 1a9xC1 PRO 2002 HD2 -0.03 0.18 0.09 -0.04 3.68 3.88 1a9xC1 PRO 2002 HD3 -0.00 -0.01 0.08 -0.04 3.65 3.68 1a9xC1 LYS 2003 H -0.39 0.03 0.07 -0.55 8.42 7.58 1a9xC1 LYS 2003 HA -0.52 0.15 0.42 -0.75 4.32 3.61 1a9xC1 LYS 2003 HB2 0.14 0.18 0.03 -0.04 1.87 2.17 1a9xC1 LYS 2003 HB3 -0.13 -0.06 0.10 -0.04 1.79 1.67 1a9xC1 LYS 2003 HG2 -0.00 -0.13 0.11 -0.04 1.46 1.40 1a9xC1 LYS 2003 HG3 -0.03 -0.02 0.02 -0.04 1.46 1.39 1a9xC1 LYS 2003 HD2 0.03 0.13 0.05 -0.04 1.69 1.85 1a9xC1 LYS 2003 HD3 0.17 -0.06 0.07 -0.04 1.68 1.82 1a9xC1 LYS 2003 HE2 0.01 -0.11 0.02 -0.04 2.99 2.87 1a9xC1 LYS 2003 HE3 -0.06 -0.04 0.01 -0.04 2.99 2.86 1a9xC1 ARG 2004 H -0.04 0.76 0.41 -0.55 8.46 9.04 1a9xC1 ARG 2004 HA -0.02 -0.02 0.40 -0.75 4.34 3.95 1a9xC1 ARG 2004 HB2 -0.00 0.12 0.12 -0.04 1.90 2.09 1a9xC1 ARG 2004 HB3 0.05 -0.13 -0.14 -0.04 1.80 1.54 1a9xC1 ARG 2004 HG2 -0.00 -0.13 0.02 -0.04 1.67 1.52 1a9xC1 ARG 2004 HG3 -0.03 0.10 -0.12 -0.04 1.67 1.59 1a9xC1 ARG 2004 HD2 -0.02 0.04 -0.08 -0.04 3.22 3.11 1a9xC1 ARG 2004 HD3 -0.02 0.01 -0.07 -0.04 3.22 3.09 1a9xC1 THR 2005 H 0.01 0.03 0.22 -0.55 8.28 7.99 1a9xC1 THR 2005 HA 0.02 0.28 0.81 -0.75 4.39 4.75 1a9xC1 THR 2005 HB 0.00 -0.00 0.16 -0.04 4.32 4.43 1a9xC1 THR 2005 HG23 0.01 -0.02 -0.11 -0.04 1.22 1.05 1a9xC1 ASP 2006 H 0.03 0.03 0.08 -0.55 8.40 7.99 1a9xC1 ASP 2006 HA 0.03 0.11 0.49 -0.75 4.63 4.50 1a9xC1 ASP 2006 HB2 0.02 0.03 0.18 -0.04 2.71 2.90 1a9xC1 ASP 2006 HB3 0.02 -0.03 0.11 -0.04 2.70 2.76 1a9xC1 ILE 2007 H 0.10 0.27 -0.89 -0.55 8.25 7.18 1a9xC1 ILE 2007 HA 0.07 0.19 1.00 -0.75 4.18 4.70 1a9xC1 ILE 2007 HB 0.10 0.03 -0.12 -0.04 1.89 1.86 1a9xC1 ILE 2007 HG12 0.02 0.00 -0.09 -0.04 1.49 1.38 1a9xC1 ILE 2007 HG13 0.03 0.07 -0.58 -0.04 1.21 0.69 1a9xC1 ILE 2007 HG23 0.07 -0.01 -0.23 -0.04 0.93 0.71 1a9xC1 ILE 2007 HD13 -0.02 -0.02 -0.13 -0.04 0.88 0.68 1a9xC1 LYS 2008 H 0.11 -0.06 0.23 -0.55 8.42 8.14 1a9xC1 LYS 2008 HA 0.14 0.35 1.05 -0.75 4.32 5.11 1a9xC1 LYS 2008 HB2 0.05 -0.03 0.09 -0.04 1.87 1.94 1a9xC1 LYS 2008 HB3 0.04 -0.00 0.08 -0.04 1.79 1.86 1a9xC1 LYS 2008 HG2 0.01 -0.04 0.00 -0.04 1.46 1.39 1a9xC1 LYS 2008 HG3 0.01 0.19 -0.02 -0.04 1.46 1.61 1a9xC1 LYS 2008 HD2 0.04 0.22 -0.32 -0.04 1.69 1.59 1a9xC1 LYS 2008 HD3 0.05 -0.09 -0.24 -0.04 1.68 1.35 1a9xC1 LYS 2008 HE2 0.02 -0.02 -0.04 -0.04 2.99 2.91 1a9xC1 LYS 2008 HE3 0.02 -0.03 -0.03 -0.04 2.99 2.92 1a9xC1 SER 2009 H 0.10 -0.04 0.34 -0.55 8.46 8.31 1a9xC1 SER 2009 HA 0.11 0.32 1.10 -0.75 4.49 5.26 1a9xC1 SER 2009 HB2 0.05 0.07 0.04 -0.04 3.95 4.08 1a9xC1 SER 2009 HB3 0.06 0.06 0.08 -0.04 3.93 4.09 1a9xC1 ILE 2010 H 0.06 0.82 0.42 -0.55 8.25 9.00 1a9xC1 ILE 2010 HA 0.01 0.17 0.98 -0.75 4.18 4.58 1a9xC1 ILE 2010 HB -0.01 -0.04 -0.05 -0.04 1.89 1.75 1a9xC1 ILE 2010 HG12 -0.14 0.03 -0.24 -0.04 1.49 1.10 1a9xC1 ILE 2010 HG13 0.01 -0.16 -1.03 -0.04 1.21 -0.01 1a9xC1 ILE 2010 HG23 -0.04 -0.01 -0.24 -0.04 0.93 0.60 1a9xC1 ILE 2010 HD13 -0.32 0.03 -0.23 -0.04 0.88 0.32 1a9xC1 LEU 2011 H 0.01 0.85 0.38 -0.55 8.37 9.06 1a9xC1 LEU 2011 HA 0.03 0.34 1.04 -0.75 4.35 5.00 1a9xC1 LEU 2011 HB2 0.01 0.02 -0.01 -0.04 1.64 1.61 1a9xC1 LEU 2011 HB3 0.00 0.06 0.19 -0.04 1.64 1.85 1a9xC1 LEU 2011 HG 0.01 -0.10 -0.56 -0.04 1.64 0.94 1a9xC1 LEU 2011 HD13 0.02 0.02 -0.24 -0.04 0.93 0.68 1a9xC1 LEU 2011 HD23 -0.02 -0.01 -0.16 -0.04 0.89 0.66 1a9xC1 ILE 2012 H 0.03 0.91 0.55 -0.55 8.25 9.19 1a9xC1 ILE 2012 HA 0.01 0.20 1.07 -0.75 4.18 4.70 1a9xC1 ILE 2012 HB 0.02 -0.06 0.07 -0.04 1.89 1.88 1a9xC1 ILE 2012 HG12 0.00 0.00 -0.20 -0.04 1.49 1.25 1a9xC1 ILE 2012 HG13 0.01 0.12 -0.21 -0.04 1.21 1.10 1a9xC1 ILE 2012 HG23 0.01 -0.00 -0.18 -0.04 0.93 0.72 1a9xC1 ILE 2012 HD13 0.01 -0.00 -0.18 -0.04 0.88 0.66 1a9xC1 LEU 2013 H 0.00 0.40 0.22 -0.55 8.37 8.44 1a9xC1 LEU 2013 HA 0.01 0.06 0.74 -0.75 4.35 4.41 1a9xC1 LEU 2013 HB2 -0.01 -0.08 0.21 -0.04 1.64 1.71 1a9xC1 LEU 2013 HB3 -0.01 0.05 0.04 -0.04 1.64 1.68 1a9xC1 LEU 2013 HG 0.00 0.05 -0.05 -0.04 1.64 1.60 1a9xC1 LEU 2013 HD13 0.00 -0.01 -0.05 -0.04 0.93 0.84 1a9xC1 LEU 2013 HD23 0.00 0.00 -0.13 -0.04 0.89 0.72 1a9xC1 GLY 2014 H 0.01 0.76 0.41 -0.55 8.43 9.06 1a9xC1 GLY 2014 HA2 0.01 0.05 0.47 -0.51 4.01 4.04 1a9xC1 GLY 2014 HA3 0.02 -0.01 0.45 -0.51 4.01 3.96 1a9xC1 ALA 2015 H 0.02 0.06 0.14 -0.55 8.40 8.07 1a9xC1 ALA 2015 HA -0.09 0.34 1.04 -0.75 4.34 4.87 1a9xC1 ALA 2015 HB3 -0.11 -0.07 -0.05 -0.04 1.41 1.14 1a9xC1 GLY 2016 H 0.01 -0.10 -0.03 -0.55 8.43 7.77 1a9xC1 GLY 2016 HA2 0.00 -0.19 0.32 -0.51 4.01 3.63 1a9xC1 GLY 2016 HA3 -0.01 0.30 0.60 -0.51 4.01 4.40 1a9xC1 PRO 2017 HA -0.00 -0.04 0.37 -0.51 4.44 4.25 1a9xC1 PRO 2017 HB2 -0.02 0.02 -0.24 -0.04 2.28 2.00 1a9xC1 PRO 2017 HB3 -0.02 0.06 -0.24 -0.04 2.02 1.78 1a9xC1 PRO 2017 HG2 -0.02 0.07 -0.09 -0.04 2.03 1.95 1a9xC1 PRO 2017 HG3 -0.02 0.14 -0.11 -0.04 2.03 2.00 1a9xC1 PRO 2017 HD2 -0.01 0.20 0.12 -0.04 3.68 3.95 1a9xC1 PRO 2017 HD3 -0.01 0.10 0.18 -0.04 3.65 3.88 1a9xC1 ILE 2018 H 0.00 -0.05 0.18 -0.55 8.25 7.83 1a9xC1 ILE 2018 HA 0.04 0.24 0.52 -0.75 4.18 4.22 1a9xC1 ILE 2018 HB -0.00 0.12 0.14 -0.04 1.89 2.11 1a9xC1 ILE 2018 HG12 0.01 -0.02 0.13 -0.04 1.49 1.57 1a9xC1 ILE 2018 HG13 0.01 -0.11 0.11 -0.04 1.21 1.18 1a9xC1 ILE 2018 HG23 0.01 -0.05 -0.13 -0.04 0.93 0.72 1a9xC1 ILE 2018 HD13 0.05 -0.03 -0.14 -0.04 0.88 0.72 1a9xC1 VAL 2019 H 0.02 0.72 0.31 -0.55 8.24 8.74 1a9xC1 VAL 2019 HA -0.03 0.07 0.66 -0.75 4.13 4.08 1a9xC1 VAL 2019 HB -0.05 0.00 0.04 -0.04 2.12 2.07 1a9xC1 VAL 2019 HG13 -0.03 0.02 -0.33 -0.04 0.97 0.60 1a9xC1 VAL 2019 HG23 -0.01 0.03 -0.08 -0.04 0.95 0.85 1a9xC1 ILE 2020 H -0.07 0.15 0.07 -0.55 8.25 7.85 1a9xC1 ILE 2020 HA -0.05 0.06 0.37 -0.75 4.18 3.81 1a9xC1 ILE 2020 HB -0.13 -0.01 0.12 -0.04 1.89 1.83 1a9xC1 ILE 2020 HG12 -0.04 0.15 -0.21 -0.04 1.49 1.35 1a9xC1 ILE 2020 HG13 -0.04 -0.11 -0.03 -0.04 1.21 0.99 1a9xC1 ILE 2020 HG23 -0.12 0.06 -0.29 -0.04 0.93 0.54 1a9xC1 ILE 2020 HD13 -0.08 0.00 -0.08 -0.04 0.88 0.68 1a9xC1 GLY 2021 H -0.05 0.12 0.09 -0.55 8.43 8.04 1a9xC1 GLY 2021 HA2 -0.06 -0.10 0.36 -0.51 4.01 3.70 1a9xC1 GLY 2021 HA3 -0.06 0.24 0.56 -0.51 4.01 4.24 1a9xC1 GLN 2022 H 0.02 0.62 -0.62 -0.55 8.47 7.94 1a9xC1 GLN 2022 HA 0.32 -0.08 0.65 -0.75 4.36 4.49 1a9xC1 GLN 2022 HB2 0.07 0.01 -0.21 -0.04 2.15 1.98 1a9xC1 GLN 2022 HB3 0.06 0.12 0.09 -0.04 2.02 2.25 1a9xC1 GLN 2022 HG2 0.20 0.03 -0.11 -0.04 2.40 2.48 1a9xC1 GLN 2022 HG3 0.15 -0.12 0.05 -0.04 2.39 2.42 1a9xC1 GLN 2022 HE21 -0.07 0.09 0.11 -0.04 6.97 7.06 1a9xC1 GLN 2022 HE22 -0.01 0.09 -0.05 -0.04 7.69 7.69 1a9xC1 ALA 2023 H 0.08 0.02 -0.01 -0.55 8.40 7.94 1a9xC1 ALA 2023 HA 0.07 0.33 1.05 -0.75 4.34 5.04 1a9xC1 ALA 2023 HB3 -0.01 0.00 0.04 -0.04 1.41 1.41 1a9xC1 CYS 2024 H -0.00 0.22 0.13 -0.55 8.50 8.30 1a9xC1 CYS 2024 HA 0.05 0.10 0.40 -0.75 4.58 4.37 1a9xC1 CYS 2024 HB2 -0.01 0.06 -0.23 -0.04 2.97 2.76 1a9xC1 CYS 2024 HB3 0.03 -0.02 0.12 -0.04 2.97 3.06 1a9xC1 GLU 2025 H -0.17 0.03 -0.44 -0.55 8.60 7.48 1a9xC1 GLU 2025 HA -0.05 0.34 0.51 -0.75 4.29 4.34 1a9xC1 GLU 2025 HB2 -0.27 0.07 0.02 -0.04 2.09 1.87 1a9xC1 GLU 2025 HB3 -0.20 0.01 0.08 -0.04 1.99 1.85 1a9xC1 GLU 2025 HG2 -1.53 0.09 -0.21 -0.04 2.34 0.65 1a9xC1 GLU 2025 HG3 -0.76 -0.06 -0.32 -0.04 2.34 1.15 1a9xC1 PHE 2026 H -0.15 0.44 -0.41 -0.55 8.34 7.67 1a9xC1 PHE 2026 HA 0.05 0.11 0.55 -0.75 4.62 4.57 1a9xC1 PHE 2026 HB2 0.03 0.12 -0.04 -0.04 3.15 3.22 1a9xC1 PHE 2026 HB3 0.02 0.10 0.03 -0.04 3.06 3.17 1a9xC1 PHE 2026 HD2 0.02 0.14 -0.20 -0.04 7.28 7.20 1a9xC1 PHE 2026 HE2 0.02 0.11 -0.20 -0.04 7.38 7.27 1a9xC1 PHE 2026 HZ 0.02 0.01 -0.04 -0.04 7.32 7.26 1a9xC1 ASP 2027 H 0.12 0.30 -0.07 -0.55 8.40 8.20 1a9xC1 ASP 2027 HA 0.10 0.12 0.62 -0.75 4.63 4.72 1a9xC1 ASP 2027 HB2 0.09 0.05 0.10 -0.04 2.71 2.91 1a9xC1 ASP 2027 HB3 0.09 0.09 0.17 -0.04 2.70 3.01 1a9xC1 TYR 2028 H 0.16 0.45 -0.14 -0.55 8.29 8.21 1a9xC1 TYR 2028 HA 0.00 0.01 0.33 -0.75 4.56 4.15 1a9xC1 TYR 2028 HB2 -0.02 -0.11 -0.22 -0.04 3.06 2.67 1a9xC1 TYR 2028 HB3 -0.04 0.10 0.11 -0.04 2.98 3.12 1a9xC1 TYR 2028 HD2 -0.03 -0.04 -0.11 -0.04 7.15 6.93 1a9xC1 TYR 2028 HE2 -0.03 -0.06 -0.06 -0.04 6.85 6.66 1a9xC1 SER 2029 H 0.07 0.51 -0.14 -0.55 8.46 8.36 1a9xC1 SER 2029 HA -0.25 -0.05 0.29 -0.75 4.49 3.73 1a9xC1 SER 2029 HB2 0.19 0.05 0.16 -0.04 3.95 4.31 1a9xC1 SER 2029 HB3 0.10 0.01 -0.03 -0.04 3.93 3.96 1a9xC1 GLY 2030 H 0.08 0.61 -0.12 -0.55 8.43 8.46 1a9xC1 GLY 2030 HA2 0.02 0.03 0.41 -0.51 4.01 3.96 1a9xC1 GLY 2030 HA3 0.05 0.08 0.32 -0.51 4.01 3.94 1a9xC1 ALA 2031 H 0.00 0.69 -0.20 -0.55 8.40 8.35 1a9xC1 ALA 2031 HA 0.00 0.06 0.30 -0.75 4.34 3.96 1a9xC1 ALA 2031 HB3 0.00 -0.01 0.03 -0.04 1.41 1.38 1a9xC1 GLN 2032 H -0.15 0.36 -0.36 -0.55 8.47 7.77 1a9xC1 GLN 2032 HA -0.11 0.08 0.40 -0.75 4.36 3.98 1a9xC1 GLN 2032 HB2 -0.28 0.09 0.07 -0.04 2.15 1.99 1a9xC1 GLN 2032 HB3 -0.16 -0.10 -0.23 -0.04 2.02 1.49 1a9xC1 GLN 2032 HG2 -0.21 0.04 -0.03 -0.04 2.40 2.16 1a9xC1 GLN 2032 HG3 -0.48 0.13 -0.03 -0.04 2.39 1.97 1a9xC1 GLN 2032 HE21 -0.04 -0.06 -0.06 -0.04 6.97 6.77 1a9xC1 GLN 2032 HE22 -0.19 0.07 -0.05 -0.04 7.69 7.48 1a9xC1 ALA 2033 H -0.05 0.49 -0.14 -0.55 8.40 8.15 1a9xC1 ALA 2033 HA -0.02 0.05 0.36 -0.75 4.34 3.98 1a9xC1 ALA 2033 HB3 -0.00 0.03 0.07 -0.04 1.41 1.46 1a9xC1 CYS 2034 H -0.01 0.54 -0.23 -0.55 8.50 8.25 1a9xC1 CYS 2034 HA 0.01 0.00 0.30 -0.75 4.58 4.14 1a9xC1 CYS 2034 HB2 0.00 0.07 0.14 -0.04 2.97 3.14 1a9xC1 CYS 2034 HB3 0.01 0.21 -0.08 -0.04 2.97 3.08 1a9xC1 LYS 2035 H -0.02 0.45 -0.18 -0.55 8.42 8.13 1a9xC1 LYS 2035 HA 0.00 0.09 0.44 -0.75 4.32 4.09 1a9xC1 LYS 2035 HB2 -0.03 0.07 0.13 -0.04 1.87 2.00 1a9xC1 LYS 2035 HB3 -0.03 0.08 0.17 -0.04 1.79 1.96 1a9xC1 LYS 2035 HG2 -0.02 -0.01 -0.21 -0.04 1.46 1.18 1a9xC1 LYS 2035 HG3 -0.01 0.02 0.01 -0.04 1.46 1.44 1a9xC1 LYS 2035 HD2 -0.03 0.01 -0.05 -0.04 1.69 1.58 1a9xC1 LYS 2035 HD3 -0.05 -0.10 -0.06 -0.04 1.68 1.43 1a9xC1 LYS 2035 HE2 -0.03 -0.07 -0.07 -0.04 2.99 2.79 1a9xC1 LYS 2035 HE3 -0.01 0.02 -0.07 -0.04 2.99 2.89 1a9xC1 ALA 2036 H -0.01 0.49 -0.25 -0.55 8.40 8.08 1a9xC1 ALA 2036 HA 0.01 0.04 0.44 -0.75 4.34 4.07 1a9xC1 ALA 2036 HB3 -0.00 -0.01 0.10 -0.04 1.41 1.45 1a9xC1 LEU 2037 H 0.03 0.53 -0.17 -0.55 8.37 8.21 1a9xC1 LEU 2037 HA 0.15 0.05 0.39 -0.75 4.35 4.18 1a9xC1 LEU 2037 HB2 0.04 0.02 0.03 -0.04 1.64 1.69 1a9xC1 LEU 2037 HB3 0.05 -0.03 -0.08 -0.04 1.64 1.53 1a9xC1 LEU 2037 HG 0.00 0.18 0.04 -0.04 1.64 1.82 1a9xC1 LEU 2037 HD13 -0.03 -0.05 -0.14 -0.04 0.93 0.67 1a9xC1 LEU 2037 HD23 -0.11 0.02 -0.16 -0.04 0.89 0.60 1a9xC1 ARG 2038 H 0.06 0.64 -0.08 -0.55 8.46 8.53 1a9xC1 ARG 2038 HA 0.07 0.10 0.42 -0.75 4.34 4.18 1a9xC1 ARG 2038 HB2 0.04 -0.04 0.11 -0.04 1.90 1.96 1a9xC1 ARG 2038 HB3 0.03 0.12 0.21 -0.04 1.80 2.12 1a9xC1 ARG 2038 HG2 0.02 -0.00 -0.24 -0.04 1.67 1.41 1a9xC1 ARG 2038 HG3 0.02 -0.04 -0.06 -0.04 1.67 1.55 1a9xC1 ARG 2038 HD2 0.01 0.13 -0.05 -0.04 3.22 3.27 1a9xC1 ARG 2038 HD3 0.01 -0.07 -0.03 -0.04 3.22 3.09 1a9xC1 GLU 2039 H 0.04 0.63 -0.10 -0.55 8.60 8.63 1a9xC1 GLU 2039 HA 0.02 -0.03 0.33 -0.75 4.29 3.86 1a9xC1 GLU 2039 HB2 0.03 0.15 0.07 -0.04 2.09 2.30 1a9xC1 GLU 2039 HB3 0.02 -0.08 -0.03 -0.04 1.99 1.86 1a9xC1 GLU 2039 HG2 0.01 -0.08 0.02 -0.04 2.34 2.25 1a9xC1 GLU 2039 HG3 0.01 0.32 0.08 -0.04 2.34 2.71 1a9xC1 GLU 2040 H 0.12 0.32 -0.50 -0.55 8.60 7.99 1a9xC1 GLU 2040 HA 0.08 0.07 0.63 -0.75 4.29 4.32 1a9xC1 GLU 2040 HB2 0.41 0.03 0.10 -0.04 2.09 2.59 1a9xC1 GLU 2040 HB3 0.34 -0.06 0.18 -0.04 1.99 2.41 1a9xC1 GLU 2040 HG2 0.10 0.16 0.04 -0.04 2.34 2.60 1a9xC1 GLU 2040 HG3 0.23 -0.11 -0.01 -0.04 2.34 2.42 1a9xC1 GLY 2041 H 0.02 0.55 -0.48 -0.55 8.43 7.98 1a9xC1 GLY 2041 HA2 -0.05 -0.01 0.30 -0.51 4.01 3.75 1a9xC1 GLY 2041 HA3 -0.13 -0.01 0.40 -0.51 4.01 3.76 1a9xC1 TYR 2042 H 0.13 0.38 -0.12 -0.55 8.29 8.13 1a9xC1 TYR 2042 HA 0.02 0.27 0.78 -0.75 4.56 4.87 1a9xC1 TYR 2042 HB2 0.03 -0.09 -0.17 -0.04 3.06 2.78 1a9xC1 TYR 2042 HB3 0.02 -0.06 -0.17 -0.04 2.98 2.73 1a9xC1 TYR 2042 HD2 0.03 -0.01 -0.23 -0.04 7.15 6.91 1a9xC1 TYR 2042 HE2 0.05 0.05 -0.07 -0.04 6.85 6.84 1a9xC1 ARG 2043 H 0.15 0.82 0.48 -0.55 8.46 9.36 1a9xC1 ARG 2043 HA 0.05 0.09 0.75 -0.75 4.34 4.48 1a9xC1 ARG 2043 HB2 0.04 0.10 0.11 -0.04 1.90 2.12 1a9xC1 ARG 2043 HB3 0.06 -0.13 0.17 -0.04 1.80 1.86 1a9xC1 ARG 2043 HG2 0.03 -0.08 -0.03 -0.04 1.67 1.55 1a9xC1 ARG 2043 HG3 0.02 0.04 0.04 -0.04 1.67 1.73 1a9xC1 ARG 2043 HD2 0.02 0.01 -0.02 -0.04 3.22 3.19 1a9xC1 ARG 2043 HD3 0.03 0.01 -0.02 -0.04 3.22 3.20 1a9xC1 VAL 2044 H 0.05 0.18 0.21 -0.55 8.24 8.12 1a9xC1 VAL 2044 HA 0.05 0.27 1.14 -0.75 4.13 4.84 1a9xC1 VAL 2044 HB 0.03 -0.13 0.16 -0.04 2.12 2.14 1a9xC1 VAL 2044 HG13 0.03 -0.00 -0.12 -0.04 0.97 0.84 1a9xC1 VAL 2044 HG23 0.08 0.08 -0.23 -0.04 0.95 0.83 1a9xC1 ILE 2045 H 0.04 0.90 0.44 -0.55 8.25 9.08 1a9xC1 ILE 2045 HA 0.05 0.22 0.96 -0.75 4.18 4.65 1a9xC1 ILE 2045 HB 0.05 -0.02 0.08 -0.04 1.89 1.96 1a9xC1 ILE 2045 HG12 0.08 0.05 -0.11 -0.04 1.49 1.47 1a9xC1 ILE 2045 HG13 0.05 -0.11 -0.37 -0.04 1.21 0.74 1a9xC1 ILE 2045 HG23 0.17 -0.00 -0.14 -0.04 0.93 0.91 1a9xC1 ILE 2045 HD13 0.04 0.04 -0.23 -0.04 0.88 0.69 1a9xC1 ASN 2046 H 0.06 0.55 0.36 -0.55 8.53 8.95 1a9xC1 ASN 2046 HA 0.05 0.15 1.03 -0.75 4.76 5.23 1a9xC1 ASN 2046 HB2 0.03 0.07 0.07 -0.04 2.88 3.01 1a9xC1 ASN 2046 HB3 0.03 -0.01 -0.19 -0.04 2.79 2.58 1a9xC1 ASN 2046 HD21 0.03 -0.03 -0.38 -0.04 7.03 6.61 1a9xC1 ASN 2046 HD22 0.03 0.01 -0.49 -0.04 7.74 7.25 1a9xC1 VAL 2047 H 0.04 0.65 0.32 -0.55 8.24 8.70 1a9xC1 VAL 2047 HA 0.11 0.34 1.17 -0.75 4.13 4.98 1a9xC1 VAL 2047 HB 0.04 0.03 -0.05 -0.04 2.12 2.10 1a9xC1 VAL 2047 HG13 0.01 -0.02 0.04 -0.04 0.97 0.96 1a9xC1 VAL 2047 HG23 0.02 0.00 -0.13 -0.04 0.95 0.80 1a9xC1 ASN 2048 H 0.04 0.73 0.19 -0.55 8.53 8.95 1a9xC1 ASN 2048 HA 0.02 -0.02 0.53 -0.75 4.76 4.54 1a9xC1 ASN 2048 HB2 0.03 0.07 -0.17 -0.04 2.88 2.77 1a9xC1 ASN 2048 HB3 0.03 0.11 -0.03 -0.04 2.79 2.85 1a9xC1 ASN 2048 HD21 0.06 -0.05 0.01 -0.04 7.03 7.00 1a9xC1 ASN 2048 HD22 0.05 0.09 -0.05 -0.04 7.74 7.79 1a9xC1 SER 2049 H 0.01 0.11 0.09 -0.55 8.46 8.12 1a9xC1 SER 2049 HA 0.00 0.14 0.40 -0.75 4.49 4.28 1a9xC1 SER 2049 HB2 -0.02 -0.02 0.05 -0.04 3.95 3.92 1a9xC1 SER 2049 HB3 -0.01 0.12 -0.13 -0.04 3.93 3.87 1a9xC1 ASN 2050 H 0.01 -0.05 -0.39 -0.55 8.53 7.56 1a9xC1 ASN 2050 HA -0.01 0.31 0.70 -0.75 4.76 5.01 1a9xC1 ASN 2050 HB2 0.00 0.04 -0.36 -0.04 2.88 2.52 1a9xC1 ASN 2050 HB3 0.02 -0.08 -0.06 -0.04 2.79 2.63 1a9xC1 ASN 2050 HD21 0.01 -0.09 -0.08 -0.04 7.03 6.83 1a9xC1 ASN 2050 HD22 0.03 0.15 -0.10 -0.04 7.74 7.78 1a9xC1 PRO 2051 HA -0.01 0.22 0.31 -0.51 4.44 4.44 1a9xC1 PRO 2051 HB2 0.00 0.01 -0.21 -0.04 2.28 2.05 1a9xC1 PRO 2051 HB3 0.05 0.12 -0.05 -0.04 2.02 2.10 1a9xC1 PRO 2051 HG2 0.04 -0.07 -0.15 -0.04 2.03 1.81 1a9xC1 PRO 2051 HG3 0.16 0.11 -0.20 -0.04 2.03 2.05 1a9xC1 PRO 2051 HD2 -0.02 0.03 -0.04 -0.04 3.68 3.61 1a9xC1 PRO 2051 HD3 0.01 0.25 0.11 -0.04 3.65 3.98 1a9xC1 ALA 2052 H -0.09 0.10 -0.33 -0.55 8.40 7.54 1a9xC1 ALA 2052 HA -0.61 0.18 0.49 -0.75 4.34 3.64 1a9xC1 ALA 2052 HB3 -0.19 -0.02 -0.01 -0.04 1.41 1.15 1a9xC1 THR 2053 H 0.01 0.53 -0.63 -0.55 8.28 7.64 1a9xC1 THR 2053 HA 0.14 0.17 1.13 -0.75 4.39 5.07 1a9xC1 THR 2053 HB 0.09 -0.19 -0.02 -0.04 4.32 4.16 1a9xC1 THR 2053 HG23 0.05 -0.03 -0.25 -0.04 1.22 0.95 1a9xC1 ILE 2054 H 0.14 0.10 0.08 -0.55 8.25 8.03 1a9xC1 ILE 2054 HA 0.14 0.17 0.43 -0.75 4.18 4.17 1a9xC1 ILE 2054 HB 0.07 -0.06 0.06 -0.04 1.89 1.91 1a9xC1 ILE 2054 HG12 0.06 -0.12 -0.02 -0.04 1.49 1.37 1a9xC1 ILE 2054 HG13 0.01 0.02 -0.05 -0.04 1.21 1.14 1a9xC1 ILE 2054 HG23 0.03 0.05 -0.12 -0.04 0.93 0.85 1a9xC1 ILE 2054 HD13 -0.23 0.05 -0.09 -0.04 0.88 0.57 1a9xC1 MET 2055 H 0.08 -0.04 -0.20 -0.55 8.47 7.77 1a9xC1 MET 2055 HA 0.04 0.20 0.18 -0.75 4.52 4.19 1a9xC1 MET 2055 HB2 0.03 0.14 -0.15 -0.04 2.15 2.13 1a9xC1 MET 2055 HB3 0.04 -0.08 -0.11 -0.04 2.03 1.84 1a9xC1 MET 2055 HG2 0.06 -0.16 -0.12 -0.04 2.63 2.36 1a9xC1 MET 2055 HG3 0.04 0.13 -0.49 -0.04 2.56 2.20 1a9xC1 MET 2055 HE3 0.03 0.04 -0.18 -0.04 2.10 1.96 1a9xC1 THR 2056 H 0.09 0.12 -0.76 -0.55 8.28 7.17 1a9xC1 THR 2056 HA 0.02 0.18 0.59 -0.75 4.39 4.43 1a9xC1 THR 2056 HB 0.01 -0.01 -0.01 -0.04 4.32 4.26 1a9xC1 THR 2056 HG23 0.03 -0.02 -0.19 -0.04 1.22 1.01 1a9xC1 ASP 2057 H 0.09 0.53 -0.34 -0.55 8.40 8.13 1a9xC1 ASP 2057 HA 0.14 0.10 0.47 -0.75 4.63 4.58 1a9xC1 ASP 2057 HB2 0.08 0.11 0.11 -0.04 2.71 2.96 1a9xC1 ASP 2057 HB3 0.08 -0.05 -0.01 -0.04 2.70 2.69 1a9xC1 PRO 2058 HA -0.02 0.01 0.30 -0.51 4.44 4.21 1a9xC1 PRO 2058 HB2 0.06 0.09 -0.05 -0.04 2.28 2.34 1a9xC1 PRO 2058 HB3 0.01 -0.03 -0.00 -0.04 2.02 1.96 1a9xC1 PRO 2058 HG2 0.16 0.06 0.06 -0.04 2.03 2.27 1a9xC1 PRO 2058 HG3 0.24 0.10 0.07 -0.04 2.03 2.40 1a9xC1 PRO 2058 HD2 0.12 0.03 0.15 -0.04 3.68 3.94 1a9xC1 PRO 2058 HD3 0.12 0.21 0.24 -0.04 3.65 4.18 1a9xC1 GLU 2059 H 0.03 0.05 -0.25 -0.55 8.60 7.89 1a9xC1 GLU 2059 HA 0.01 0.16 0.42 -0.75 4.29 4.13 1a9xC1 GLU 2059 HB2 -0.00 0.05 0.07 -0.04 2.09 2.17 1a9xC1 GLU 2059 HB3 0.01 -0.03 0.04 -0.04 1.99 1.97 1a9xC1 GLU 2059 HG2 -0.00 0.07 -0.41 -0.04 2.34 1.95 1a9xC1 GLU 2059 HG3 -0.02 0.03 -0.12 -0.04 2.34 2.19 1a9xC1 MET 2060 H 0.02 0.51 -0.46 -0.55 8.47 7.98 1a9xC1 MET 2060 HA 0.01 0.09 0.53 -0.75 4.52 4.39 1a9xC1 MET 2060 HB2 0.02 0.20 -0.07 -0.04 2.15 2.26 1a9xC1 MET 2060 HB3 0.01 -0.11 -0.01 -0.04 2.03 1.89 1a9xC1 MET 2060 HG2 0.03 -0.11 -0.07 -0.04 2.63 2.44 1a9xC1 MET 2060 HG3 0.03 0.06 -0.03 -0.04 2.56 2.58 1a9xC1 MET 2060 HE3 -0.01 0.05 -0.34 -0.04 2.10 1.76 1a9xC1 ALA 2061 H -0.00 0.42 -0.22 -0.55 8.40 8.06 1a9xC1 ALA 2061 HA 0.01 0.15 0.65 -0.75 4.34 4.39 1a9xC1 ALA 2061 HB3 0.00 0.00 -0.19 -0.04 1.41 1.19 1a9xC1 ASP 2062 H 0.01 0.29 0.29 -0.55 8.40 8.44 1a9xC1 ASP 2062 HA -0.01 0.13 0.60 -0.75 4.63 4.60 1a9xC1 ASP 2062 HB2 0.02 0.06 0.17 -0.04 2.71 2.92 1a9xC1 ASP 2062 HB3 0.01 0.00 0.04 -0.04 2.70 2.70 1a9xC1 ALA 2063 H -0.02 0.56 0.26 -0.55 8.40 8.65 1a9xC1 ALA 2063 HA -0.16 0.02 0.81 -0.75 4.34 4.25 1a9xC1 ALA 2063 HB3 -0.01 0.02 -0.01 -0.04 1.41 1.37 1a9xC1 THR 2064 H -0.27 0.04 0.14 -0.55 8.28 7.65 1a9xC1 THR 2064 HA -0.11 0.27 1.16 -0.75 4.39 4.96 1a9xC1 THR 2064 HB -0.16 -0.19 0.14 -0.04 4.32 4.07 1a9xC1 THR 2064 HG23 -0.04 0.04 -0.20 -0.04 1.22 0.98 1a9xC1 TYR 2065 H 0.04 0.82 0.36 -0.55 8.29 8.97 1a9xC1 TYR 2065 HA -0.06 0.22 1.13 -0.75 4.56 5.10 1a9xC1 TYR 2065 HB2 -0.04 0.05 0.18 -0.04 3.06 3.21 1a9xC1 TYR 2065 HB3 -0.05 -0.03 -0.07 -0.04 2.98 2.79 1a9xC1 TYR 2065 HD2 -0.05 0.16 -0.20 -0.04 7.15 7.02 1a9xC1 TYR 2065 HE2 -0.05 -0.02 -0.45 -0.04 6.85 6.30 1a9xC1 ILE 2066 H -0.02 0.25 0.03 -0.55 8.25 7.96 1a9xC1 ILE 2066 HA 0.01 0.41 0.65 -0.75 4.18 4.50 1a9xC1 ILE 2066 HB -0.05 -0.00 0.13 -0.04 1.89 1.93 1a9xC1 ILE 2066 HG12 -0.00 0.06 -0.14 -0.04 1.49 1.36 1a9xC1 ILE 2066 HG13 -0.03 -0.07 -0.18 -0.04 1.21 0.88 1a9xC1 ILE 2066 HG23 -0.00 -0.01 -0.08 -0.04 0.93 0.80 1a9xC1 ILE 2066 HD13 -0.04 0.00 -0.06 -0.04 0.88 0.74 1a9xC1 GLU 2067 H 0.04 0.31 -0.20 -0.55 8.60 8.20 1a9xC1 GLU 2067 HA -0.01 0.20 0.83 -0.75 4.29 4.56 1a9xC1 GLU 2067 HB2 0.01 -0.05 -0.18 -0.04 2.09 1.83 1a9xC1 GLU 2067 HB3 -0.04 0.08 -0.04 -0.04 1.99 1.95 1a9xC1 GLU 2067 HG2 0.10 -0.06 -0.48 -0.04 2.34 1.86 1a9xC1 GLU 2067 HG3 0.05 -0.01 -0.11 -0.04 2.34 2.23 1a9xC1 PRO 2068 HA -0.02 0.02 0.38 -0.51 4.44 4.31 1a9xC1 PRO 2068 HB2 -0.02 -0.07 -0.08 -0.04 2.28 2.06 1a9xC1 PRO 2068 HB3 -0.04 0.06 -0.09 -0.04 2.02 1.90 1a9xC1 PRO 2068 HG2 -0.08 0.02 0.10 -0.04 2.03 2.03 1a9xC1 PRO 2068 HG3 -0.07 0.20 0.23 -0.04 2.03 2.35 1a9xC1 PRO 2068 HD2 -0.05 0.14 0.24 -0.04 3.68 3.97 1a9xC1 PRO 2068 HD3 -0.05 0.17 0.26 -0.04 3.65 3.99 1a9xC1 ILE 2069 H 0.00 0.17 0.12 -0.55 8.25 7.99 1a9xC1 ILE 2069 HA 0.01 0.18 0.71 -0.75 4.18 4.33 1a9xC1 ILE 2069 HB 0.00 0.04 0.17 -0.04 1.89 2.06 1a9xC1 ILE 2069 HG12 0.00 0.07 -0.18 -0.04 1.49 1.34 1a9xC1 ILE 2069 HG13 0.00 -0.08 0.04 -0.04 1.21 1.13 1a9xC1 ILE 2069 HG23 -0.00 0.02 -0.12 -0.04 0.93 0.78 1a9xC1 ILE 2069 HD13 -0.01 0.00 -0.23 -0.04 0.88 0.60 1a9xC1 HIS 2070 H 0.06 0.52 -0.06 -0.55 8.41 8.39 1a9xC1 HIS 2070 HA 0.03 0.21 0.76 -0.75 4.63 4.88 1a9xC1 HIS 2070 HB2 -0.06 0.11 -0.17 -0.04 3.26 3.10 1a9xC1 HIS 2070 HB3 -0.13 -0.09 -0.00 -0.04 3.20 2.93 1a9xC1 HIS 2070 HD2 -0.01 0.14 0.01 -0.04 6.97 7.06 1a9xC1 HIS 2070 HE1 -0.61 0.08 0.02 -0.04 7.75 7.20 1a9xC1 TRP 2071 H -0.29 0.27 0.13 -0.55 7.97 7.53 1a9xC1 TRP 2071 HA -0.06 0.08 0.30 -0.75 4.62 4.18 1a9xC1 TRP 2071 HB2 -0.06 0.02 0.04 -0.04 3.23 3.18 1a9xC1 TRP 2071 HB3 -0.16 0.05 0.12 -0.04 3.23 3.19 1a9xC1 TRP 2071 HD1 -0.43 0.03 0.08 -0.04 7.22 6.86 1a9xC1 TRP 2071 HE1 0.04 0.07 0.01 -0.04 10.20 10.27 1a9xC1 TRP 2071 HE3 0.01 -0.06 -0.17 -0.04 7.59 7.32 1a9xC1 TRP 2071 HZ2 0.04 0.03 -0.01 -0.04 7.44 7.46 1a9xC1 TRP 2071 HZ3 0.04 0.05 -0.05 -0.04 7.13 7.13 1a9xC1 TRP 2071 HH2 0.03 0.05 -0.01 -0.04 7.19 7.22 1a9xC1 GLU 2072 H -0.27 0.09 -0.25 -0.55 8.60 7.62 1a9xC1 GLU 2072 HA -0.86 0.15 0.44 -0.75 4.29 3.27 1a9xC1 GLU 2072 HB2 -0.51 -0.03 0.04 -0.04 2.09 1.54 1a9xC1 GLU 2072 HB3 -0.49 0.08 -0.01 -0.04 1.99 1.53 1a9xC1 GLU 2072 HG2 -1.57 0.07 -0.00 -0.04 2.34 0.79 1a9xC1 GLU 2072 HG3 -2.18 -0.07 0.00 -0.04 2.34 0.05 1a9xC1 VAL 2073 H -0.07 0.12 -0.23 -0.55 8.24 7.51 1a9xC1 VAL 2073 HA -0.15 0.15 0.46 -0.75 4.13 3.82 1a9xC1 VAL 2073 HB -0.04 0.03 0.15 -0.04 2.12 2.22 1a9xC1 VAL 2073 HG13 -0.10 0.01 -0.13 -0.04 0.97 0.71 1a9xC1 VAL 2073 HG23 -0.15 -0.00 -0.07 -0.04 0.95 0.69 1a9xC1 VAL 2074 H -0.05 0.50 -0.14 -0.55 8.24 8.00 1a9xC1 VAL 2074 HA -0.11 0.03 0.37 -0.75 4.13 3.67 1a9xC1 VAL 2074 HB 0.04 0.05 0.02 -0.04 2.12 2.19 1a9xC1 VAL 2074 HG13 -0.01 -0.01 -0.16 -0.04 0.97 0.75 1a9xC1 VAL 2074 HG23 -0.00 0.03 -0.11 -0.04 0.95 0.83 1a9xC1 ARG 2075 H -0.03 0.62 -0.23 -0.55 8.46 8.27 1a9xC1 ARG 2075 HA -0.02 -0.02 0.34 -0.75 4.34 3.88 1a9xC1 ARG 2075 HB2 0.15 0.08 0.15 -0.04 1.90 2.24 1a9xC1 ARG 2075 HB3 -0.09 0.19 0.16 -0.04 1.80 2.02 1a9xC1 ARG 2075 HG2 0.11 -0.02 -0.01 -0.04 1.67 1.70 1a9xC1 ARG 2075 HG3 0.28 -0.05 0.04 -0.04 1.67 1.90 1a9xC1 ARG 2075 HD2 0.38 -0.03 -0.01 -0.04 3.22 3.52 1a9xC1 ARG 2075 HD3 0.04 0.02 -0.01 -0.04 3.22 3.23 1a9xC1 LYS 2076 H -0.15 0.32 -0.40 -0.55 8.42 7.64 1a9xC1 LYS 2076 HA -0.14 0.02 0.37 -0.75 4.32 3.82 1a9xC1 LYS 2076 HB2 -0.17 0.17 0.12 -0.04 1.87 1.95 1a9xC1 LYS 2076 HB3 -0.16 -0.08 -0.11 -0.04 1.79 1.40 1a9xC1 LYS 2076 HG2 -0.13 -0.01 0.07 -0.04 1.46 1.35 1a9xC1 LYS 2076 HG3 -0.12 0.15 -0.01 -0.04 1.46 1.44 1a9xC1 LYS 2076 HD2 -0.08 -0.04 0.03 -0.04 1.69 1.56 1a9xC1 LYS 2076 HD3 -0.07 -0.09 0.04 -0.04 1.68 1.52 1a9xC1 LYS 2076 HE2 -0.06 0.33 0.19 -0.04 2.99 3.41 1a9xC1 LYS 2076 HE3 -0.04 -0.11 0.06 -0.04 2.99 2.86 1a9xC1 ILE 2077 H -0.23 0.43 -0.25 -0.55 8.25 7.65 1a9xC1 ILE 2077 HA -0.42 0.01 0.39 -0.75 4.18 3.41 1a9xC1 ILE 2077 HB -0.24 0.08 0.13 -0.04 1.89 1.82 1a9xC1 ILE 2077 HG12 -1.26 -0.05 -0.11 -0.04 1.49 0.02 1a9xC1 ILE 2077 HG13 -0.43 0.16 -0.03 -0.04 1.21 0.87 1a9xC1 ILE 2077 HG23 -0.29 -0.02 -0.25 -0.04 0.93 0.33 1a9xC1 ILE 2077 HD13 -0.29 -0.04 -0.15 -0.04 0.88 0.37 1a9xC1 ILE 2078 H -0.23 0.61 -0.14 -0.55 8.25 7.94 1a9xC1 ILE 2078 HA -0.19 -0.00 0.37 -0.75 4.18 3.61 1a9xC1 ILE 2078 HB -0.39 0.09 0.14 -0.04 1.89 1.68 1a9xC1 ILE 2078 HG12 -0.10 -0.05 -0.08 -0.04 1.49 1.22 1a9xC1 ILE 2078 HG13 -0.11 0.20 -0.10 -0.04 1.21 1.15 1a9xC1 ILE 2078 HG23 -0.42 0.02 -0.19 -0.04 0.93 0.30 1a9xC1 ILE 2078 HD13 0.00 -0.02 -0.17 -0.04 0.88 0.64 1a9xC1 GLU 2079 H -0.59 0.59 -0.07 -0.55 8.60 7.99 1a9xC1 GLU 2079 HA -0.93 0.02 0.32 -0.75 4.29 2.95 1a9xC1 GLU 2079 HB2 -0.31 -0.05 0.09 -0.04 2.09 1.78 1a9xC1 GLU 2079 HB3 -0.24 0.10 0.17 -0.04 1.99 1.98 1a9xC1 GLU 2079 HG2 -0.02 0.05 -0.34 -0.04 2.34 1.99 1a9xC1 GLU 2079 HG3 0.19 -0.04 -0.02 -0.04 2.34 2.44 1a9xC1 LYS 2080 H -0.20 0.49 -0.31 -0.55 8.42 7.84 1a9xC1 LYS 2080 HA -0.04 0.05 0.52 -0.75 4.32 4.09 1a9xC1 LYS 2080 HB2 -0.06 -0.08 0.07 -0.04 1.87 1.76 1a9xC1 LYS 2080 HB3 -0.13 0.13 0.13 -0.04 1.79 1.87 1a9xC1 LYS 2080 HG2 0.03 -0.01 -0.27 -0.04 1.46 1.17 1a9xC1 LYS 2080 HG3 0.01 -0.01 0.01 -0.04 1.46 1.42 1a9xC1 LYS 2080 HD2 0.01 -0.02 0.01 -0.04 1.69 1.64 1a9xC1 LYS 2080 HD3 0.01 -0.01 -0.06 -0.04 1.68 1.58 1a9xC1 LYS 2080 HE2 0.10 0.02 -0.07 -0.04 2.99 3.00 1a9xC1 LYS 2080 HE3 0.05 -0.02 -0.00 -0.04 2.99 2.98 1a9xC1 GLU 2081 H -0.12 0.67 -0.01 -0.55 8.60 8.60 1a9xC1 GLU 2081 HA 0.01 0.21 1.05 -0.75 4.29 4.81 1a9xC1 GLU 2081 HB2 -0.00 -0.02 -0.05 -0.04 2.09 1.98 1a9xC1 GLU 2081 HB3 0.05 -0.09 -0.03 -0.04 1.99 1.88 1a9xC1 GLU 2081 HG2 0.04 0.02 -0.19 -0.04 2.34 2.17 1a9xC1 GLU 2081 HG3 0.22 -0.13 -0.10 -0.04 2.34 2.29 1a9xC1 ARG 2082 H -0.10 0.97 0.04 -0.55 8.46 8.83 1a9xC1 ARG 2082 HA 0.00 0.07 0.32 -0.75 4.34 3.98 1a9xC1 ARG 2082 HB2 0.04 0.01 -0.09 -0.04 1.90 1.81 1a9xC1 ARG 2082 HB3 0.07 -0.03 0.09 -0.04 1.80 1.89 1a9xC1 ARG 2082 HG2 0.01 0.10 -0.31 -0.04 1.67 1.44 1a9xC1 ARG 2082 HG3 0.08 -0.13 -0.05 -0.04 1.67 1.53 1a9xC1 ARG 2082 HD2 -0.04 0.16 0.03 -0.04 3.22 3.33 1a9xC1 ARG 2082 HD3 0.22 -0.03 0.09 -0.04 3.22 3.45 1a9xC1 PRO 2083 HA 0.03 0.03 0.42 -0.51 4.44 4.41 1a9xC1 PRO 2083 HB2 0.02 0.08 -0.16 -0.04 2.28 2.17 1a9xC1 PRO 2083 HB3 0.02 -0.06 -0.15 -0.04 2.02 1.79 1a9xC1 PRO 2083 HG2 -0.01 0.02 -0.09 -0.04 2.03 1.91 1a9xC1 PRO 2083 HG3 -0.02 -0.07 -0.09 -0.04 2.03 1.81 1a9xC1 PRO 2083 HD2 -0.07 0.14 0.15 -0.04 3.68 3.86 1a9xC1 PRO 2083 HD3 -0.04 0.03 -0.13 -0.04 3.65 3.47 1a9xC1 ASP 2084 H 0.04 0.17 0.30 -0.55 8.40 8.36 1a9xC1 ASP 2084 HA 0.04 0.28 0.65 -0.75 4.63 4.85 1a9xC1 ASP 2084 HB2 0.05 -0.02 0.37 -0.04 2.71 3.06 1a9xC1 ASP 2084 HB3 0.04 0.10 0.24 -0.04 2.70 3.03 1a9xC1 ALA 2085 H 0.02 0.23 0.20 -0.55 8.40 8.31 1a9xC1 ALA 2085 HA 0.01 0.14 0.81 -0.75 4.34 4.55 1a9xC1 ALA 2085 HB3 -0.01 0.00 0.03 -0.04 1.41 1.39 1a9xC1 VAL 2086 H 0.00 0.67 0.22 -0.55 8.24 8.58 1a9xC1 VAL 2086 HA 0.00 0.26 1.13 -0.75 4.13 4.78 1a9xC1 VAL 2086 HB 0.01 0.02 -0.15 -0.04 2.12 1.96 1a9xC1 VAL 2086 HG13 0.01 -0.01 -0.12 -0.04 0.97 0.81 1a9xC1 VAL 2086 HG23 0.00 0.00 -0.15 -0.04 0.95 0.77 1a9xC1 LEU 2087 H -0.00 0.62 0.25 -0.55 8.37 8.69 1a9xC1 LEU 2087 HA -0.01 0.35 0.79 -0.75 4.35 4.74 1a9xC1 LEU 2087 HB2 -0.02 0.07 -0.04 -0.04 1.64 1.61 1a9xC1 LEU 2087 HB3 -0.01 -0.03 0.16 -0.04 1.64 1.72 1a9xC1 LEU 2087 HG 0.00 -0.23 -0.13 -0.04 1.64 1.24 1a9xC1 LEU 2087 HD13 -0.00 0.07 -0.05 -0.04 0.93 0.91 1a9xC1 LEU 2087 HD23 -0.01 0.01 -0.06 -0.04 0.89 0.79 1a9xC1 PRO 2088 HA -0.01 0.16 0.92 -0.51 4.44 5.00 1a9xC1 PRO 2088 HB2 0.00 0.00 0.01 -0.04 2.28 2.25 1a9xC1 PRO 2088 HB3 0.00 0.02 0.02 -0.04 2.02 2.02 1a9xC1 PRO 2088 HG2 0.01 0.01 -0.03 -0.04 2.03 1.98 1a9xC1 PRO 2088 HG3 0.01 0.05 0.01 -0.04 2.03 2.06 1a9xC1 PRO 2088 HD2 0.00 0.24 0.42 -0.04 3.68 4.29 1a9xC1 PRO 2088 HD3 0.00 0.31 0.20 -0.04 3.65 4.12 1a9xC1 THR 2089 H 0.00 0.18 -0.11 -0.55 8.28 7.81 1a9xC1 THR 2089 HA -0.00 0.22 0.77 -0.75 4.39 4.62 1a9xC1 THR 2089 HB 0.03 -0.14 0.23 -0.04 4.32 4.40 1a9xC1 THR 2089 HG23 0.01 0.08 -0.01 -0.04 1.22 1.26 1a9xC1 MET 2090 H -0.00 0.26 -0.29 -0.55 8.47 7.89 1a9xC1 MET 2090 HA 0.10 0.08 0.83 -0.75 4.52 4.77 1a9xC1 MET 2090 HB2 0.02 0.15 -0.08 -0.04 2.15 2.20 1a9xC1 MET 2090 HB3 0.06 -0.06 -0.04 -0.04 2.03 1.94 1a9xC1 MET 2090 HG2 0.02 -0.13 -0.31 -0.04 2.63 2.17 1a9xC1 MET 2090 HG3 0.01 0.10 -0.10 -0.04 2.56 2.53 1a9xC1 MET 2090 HE3 0.03 0.04 -0.11 -0.04 2.10 2.01 1a9xC1 GLY 2091 H -0.10 0.23 -0.24 -0.55 8.43 7.77 1a9xC1 GLY 2091 HA2 -0.17 0.10 0.80 -0.51 4.01 4.24 1a9xC1 GLY 2091 HA3 -0.13 0.28 -0.00 -0.51 4.01 3.65 1a9xC1 GLY 2092 H -0.66 0.11 -0.23 -0.55 8.43 7.10 1a9xC1 GLY 2092 HA2 -0.60 0.10 0.23 -0.51 4.01 3.23 1a9xC1 GLY 2092 HA3 -1.08 0.01 0.34 -0.51 4.01 2.77 1a9xC1 GLN 2093 H -0.18 0.12 0.16 -0.55 8.47 8.02 1a9xC1 GLN 2093 HA -0.06 0.11 0.55 -0.75 4.36 4.20 1a9xC1 GLN 2093 HB2 -0.04 -0.08 0.04 -0.04 2.15 2.03 1a9xC1 GLN 2093 HB3 -0.04 0.06 0.06 -0.04 2.02 2.06 1a9xC1 GLN 2093 HG2 0.02 0.10 -0.05 -0.04 2.40 2.43 1a9xC1 GLN 2093 HG3 0.03 -0.00 -0.01 -0.04 2.39 2.37 1a9xC1 GLN 2093 HE21 -0.11 -0.01 -0.11 -0.04 6.97 6.71 1a9xC1 GLN 2093 HE22 0.16 0.08 -0.07 -0.04 7.69 7.82 1a9xC1 THR 2094 H -0.12 0.10 0.03 -0.55 8.28 7.74 1a9xC1 THR 2094 HA -0.03 0.09 0.41 -0.75 4.39 4.10 1a9xC1 THR 2094 HB -0.10 0.07 0.23 -0.04 4.32 4.48 1a9xC1 THR 2094 HG23 -0.03 0.00 -0.14 -0.04 1.22 1.01 1a9xC1 ALA 2095 H -0.13 0.37 -0.42 -0.55 8.40 7.68 1a9xC1 ALA 2095 HA -0.04 0.02 0.33 -0.75 4.34 3.90 1a9xC1 ALA 2095 HB3 -0.07 -0.00 -0.08 -0.04 1.41 1.22 1a9xC1 LEU 2096 H -0.05 0.27 -0.20 -0.55 8.37 7.83 1a9xC1 LEU 2096 HA 0.01 0.07 0.42 -0.75 4.35 4.10 1a9xC1 LEU 2096 HB2 0.01 0.03 0.18 -0.04 1.64 1.82 1a9xC1 LEU 2096 HB3 0.07 -0.02 -0.05 -0.04 1.64 1.60 1a9xC1 LEU 2096 HG -0.04 0.10 -0.01 -0.04 1.64 1.65 1a9xC1 LEU 2096 HD13 -0.05 -0.03 -0.09 -0.04 0.93 0.72 1a9xC1 LEU 2096 HD23 -0.00 0.02 -0.09 -0.04 0.89 0.78 1a9xC1 ASN 2097 H 0.02 0.80 -0.05 -0.55 8.53 8.76 1a9xC1 ASN 2097 HA 0.04 0.00 0.44 -0.75 4.76 4.49 1a9xC1 ASN 2097 HB2 -0.00 0.13 0.23 -0.04 2.88 3.20 1a9xC1 ASN 2097 HB3 -0.02 -0.03 0.03 -0.04 2.79 2.73 1a9xC1 ASN 2097 HD21 0.06 0.11 0.07 -0.04 7.03 7.23 1a9xC1 ASN 2097 HD22 0.01 -0.03 0.02 -0.04 7.74 7.70 1a9xC1 CYS 2098 H -0.01 0.71 -0.03 -0.55 8.50 8.62 1a9xC1 CYS 2098 HA -0.01 -0.03 0.41 -0.75 4.58 4.20 1a9xC1 CYS 2098 HB2 -0.01 0.18 0.08 -0.04 2.97 3.19 1a9xC1 CYS 2098 HB3 -0.00 0.06 0.02 -0.04 2.97 3.01 1a9xC1 ALA 2099 H -0.00 0.56 -0.28 -0.55 8.40 8.13 1a9xC1 ALA 2099 HA 0.01 -0.00 0.41 -0.75 4.34 4.00 1a9xC1 ALA 2099 HB3 0.01 0.04 0.10 -0.04 1.41 1.51 1a9xC1 LEU 2100 H -0.01 0.52 -0.21 -0.55 8.37 8.12 1a9xC1 LEU 2100 HA -0.04 0.04 0.66 -0.75 4.35 4.26 1a9xC1 LEU 2100 HB2 0.00 0.20 0.17 -0.04 1.64 1.97 1a9xC1 LEU 2100 HB3 -0.10 -0.01 0.07 -0.04 1.64 1.55 1a9xC1 LEU 2100 HG 0.00 -0.06 0.08 -0.04 1.64 1.62 1a9xC1 LEU 2100 HD13 0.05 0.00 -0.06 -0.04 0.93 0.88 1a9xC1 LEU 2100 HD23 0.18 0.02 -0.01 -0.04 0.89 1.03 1a9xC1 GLU 2101 H -0.09 0.42 -0.17 -0.55 8.60 8.22 1a9xC1 GLU 2101 HA -0.25 0.11 0.53 -0.75 4.29 3.93 1a9xC1 GLU 2101 HB2 -0.16 0.12 0.13 -0.04 2.09 2.14 1a9xC1 GLU 2101 HB3 -0.13 0.03 0.12 -0.04 1.99 1.97 1a9xC1 GLU 2101 HG2 -0.56 -0.05 0.02 -0.04 2.34 1.71 1a9xC1 GLU 2101 HG3 -1.00 -0.06 -0.12 -0.04 2.34 1.11 1a9xC1 LEU 2102 H -0.06 0.57 -0.08 -0.55 8.37 8.26 1a9xC1 LEU 2102 HA -0.02 0.03 0.39 -0.75 4.35 3.99 1a9xC1 LEU 2102 HB2 0.01 0.18 0.13 -0.04 1.64 1.92 1a9xC1 LEU 2102 HB3 0.06 -0.07 -0.04 -0.04 1.64 1.54 1a9xC1 LEU 2102 HG 0.10 0.17 0.10 -0.04 1.64 1.96 1a9xC1 LEU 2102 HD13 0.05 -0.02 -0.12 -0.04 0.93 0.80 1a9xC1 LEU 2102 HD23 0.26 -0.02 -0.00 -0.04 0.89 1.08 1a9xC1 GLU 2103 H -0.07 0.30 -0.55 -0.55 8.60 7.73 1a9xC1 GLU 2103 HA -0.03 -0.07 0.50 -0.75 4.29 3.93 1a9xC1 GLU 2103 HB2 -0.02 -0.05 0.12 -0.04 2.09 2.10 1a9xC1 GLU 2103 HB3 -0.05 0.15 0.25 -0.04 1.99 2.31 1a9xC1 GLU 2103 HG2 -0.05 0.01 0.04 -0.04 2.34 2.30 1a9xC1 GLU 2103 HG3 -0.07 0.11 -0.76 -0.04 2.34 1.58 1a9xC1 ARG 2104 H -0.15 0.49 -0.08 -0.55 8.46 8.17 1a9xC1 ARG 2104 HA -0.12 0.03 0.44 -0.75 4.34 3.93 1a9xC1 ARG 2104 HB2 -0.19 0.19 0.31 -0.04 1.90 2.17 1a9xC1 ARG 2104 HB3 -0.27 0.02 0.07 -0.04 1.80 1.59 1a9xC1 ARG 2104 HG2 -0.14 -0.02 0.08 -0.04 1.67 1.55 1a9xC1 ARG 2104 HG3 -0.12 -0.04 0.10 -0.04 1.67 1.57 1a9xC1 ARG 2104 HD2 -0.16 -0.01 0.01 -0.04 3.22 3.02 1a9xC1 ARG 2104 HD3 -0.14 -0.02 0.03 -0.04 3.22 3.05 1a9xC1 GLN 2105 H -0.33 0.85 -0.07 -0.55 8.47 8.38 1a9xC1 GLN 2105 HA -0.31 0.07 0.48 -0.75 4.36 3.84 1a9xC1 GLN 2105 HB2 -0.48 -0.02 0.07 -0.04 2.15 1.68 1a9xC1 GLN 2105 HB3 -0.54 -0.04 0.10 -0.04 2.02 1.50 1a9xC1 GLN 2105 HG2 -1.07 0.14 0.05 -0.04 2.40 1.47 1a9xC1 GLN 2105 HG3 -3.40 -0.12 -0.03 -0.04 2.39 -1.20 1a9xC1 GLN 2105 HE21 -0.30 0.01 -0.00 -0.04 6.97 6.63 1a9xC1 GLN 2105 HE22 -0.76 -0.03 0.00 -0.04 7.69 6.86 1a9xC1 GLY 2106 H -0.10 0.35 -0.94 -0.55 8.43 7.19 1a9xC1 GLY 2106 HA2 -0.03 0.01 0.34 -0.51 4.01 3.82 1a9xC1 GLY 2106 HA3 -0.03 0.07 0.37 -0.51 4.01 3.90 1a9xC1 VAL 2107 H 0.02 0.52 -0.16 -0.55 8.24 8.07 1a9xC1 VAL 2107 HA 0.19 0.12 0.45 -0.75 4.13 4.14 1a9xC1 VAL 2107 HB 0.15 -0.02 0.05 -0.04 2.12 2.27 1a9xC1 VAL 2107 HG13 0.28 -0.00 -0.09 -0.04 0.97 1.11 1a9xC1 VAL 2107 HG23 0.33 0.01 -0.04 -0.04 0.95 1.21 1a9xC1 LEU 2108 H 0.05 0.21 -0.16 -0.55 8.37 7.93 1a9xC1 LEU 2108 HA 0.11 0.13 0.43 -0.75 4.35 4.27 1a9xC1 LEU 2108 HB2 0.03 -0.03 0.03 -0.04 1.64 1.62 1a9xC1 LEU 2108 HB3 0.04 0.27 0.08 -0.04 1.64 1.99 1a9xC1 LEU 2108 HG 0.03 -0.04 -0.26 -0.04 1.64 1.33 1a9xC1 LEU 2108 HD13 0.01 0.02 -0.03 -0.04 0.93 0.89 1a9xC1 LEU 2108 HD23 0.05 0.00 -0.18 -0.04 0.89 0.73 1a9xC1 GLU 2109 H 0.02 0.06 -0.21 -0.55 8.60 7.93 1a9xC1 GLU 2109 HA 0.01 0.06 0.41 -0.75 4.29 4.01 1a9xC1 GLU 2109 HB2 -0.01 -0.05 0.13 -0.04 2.09 2.12 1a9xC1 GLU 2109 HB3 -0.02 0.12 0.12 -0.04 1.99 2.17 1a9xC1 GLU 2109 HG2 -0.02 0.03 -0.05 -0.04 2.34 2.27 1a9xC1 GLU 2109 HG3 -0.01 -0.03 0.05 -0.04 2.34 2.30 1a9xC1 GLU 2110 H -0.01 0.49 -0.09 -0.55 8.60 8.44 1a9xC1 GLU 2110 HA -0.17 -0.03 0.35 -0.75 4.29 3.68 1a9xC1 GLU 2110 HB2 -0.07 0.09 0.17 -0.04 2.09 2.24 1a9xC1 GLU 2110 HB3 -0.04 0.10 0.14 -0.04 1.99 2.15 1a9xC1 GLU 2110 HG2 -1.07 0.03 -0.12 -0.04 2.34 1.14 1a9xC1 GLU 2110 HG3 -0.29 -0.06 0.04 -0.04 2.34 1.99 1a9xC1 PHE 2111 H 0.19 0.35 -0.40 -0.55 8.34 7.92 1a9xC1 PHE 2111 HA 0.01 0.31 1.27 -0.75 4.62 5.46 1a9xC1 PHE 2111 HB2 0.02 -0.03 -0.02 -0.04 3.15 3.07 1a9xC1 PHE 2111 HB3 0.01 0.03 0.07 -0.04 3.06 3.14 1a9xC1 PHE 2111 HD2 0.02 0.17 -0.01 -0.04 7.28 7.42 1a9xC1 PHE 2111 HE2 0.03 -0.03 -0.00 -0.04 7.38 7.34 1a9xC1 PHE 2111 HZ 0.01 -0.04 -0.02 -0.04 7.32 7.24 1a9xC1 GLY 2112 H 0.04 0.43 -0.35 -0.55 8.43 8.01 1a9xC1 GLY 2112 HA2 0.03 -0.08 0.32 -0.51 4.01 3.78 1a9xC1 GLY 2112 HA3 0.04 -0.04 0.38 -0.51 4.01 3.89 1a9xC1 VAL 2113 H 0.08 0.50 0.02 -0.55 8.24 8.29 1a9xC1 VAL 2113 HA 0.05 0.45 0.79 -0.75 4.13 4.67 1a9xC1 VAL 2113 HB 0.06 -0.22 0.01 -0.04 2.12 1.92 1a9xC1 VAL 2113 HG13 0.03 -0.01 -0.46 -0.04 0.97 0.48 1a9xC1 VAL 2113 HG23 0.10 0.05 -0.23 -0.04 0.95 0.83 1a9xC1 THR 2114 H 0.03 1.32 0.50 -0.55 8.28 9.58 1a9xC1 THR 2114 HA 0.02 0.02 0.84 -0.75 4.39 4.51 1a9xC1 THR 2114 HB 0.01 0.09 0.17 -0.04 4.32 4.55 1a9xC1 THR 2114 HG23 0.01 -0.04 -0.14 -0.04 1.22 1.01 1a9xC1 MET 2115 H 0.01 0.12 0.19 -0.55 8.47 8.25 1a9xC1 MET 2115 HA 0.01 0.17 0.74 -0.75 4.52 4.67 1a9xC1 MET 2115 HB2 0.01 -0.04 0.17 -0.04 2.15 2.25 1a9xC1 MET 2115 HB3 0.01 -0.13 0.20 -0.04 2.03 2.06 1a9xC1 MET 2115 HG2 0.01 0.24 -0.02 -0.04 2.63 2.82 1a9xC1 MET 2115 HG3 0.01 0.01 0.06 -0.04 2.56 2.60 1a9xC1 MET 2115 HE3 0.01 -0.01 -0.06 -0.04 2.10 2.00 1a9xC1 ILE 2116 H -0.00 0.69 0.44 -0.55 8.25 8.83 1a9xC1 ILE 2116 HA -0.00 0.21 1.00 -0.75 4.18 4.63 1a9xC1 ILE 2116 HB -0.02 0.10 0.17 -0.04 1.89 2.09 1a9xC1 ILE 2116 HG12 -0.02 0.03 -0.14 -0.04 1.49 1.31 1a9xC1 ILE 2116 HG13 -0.02 -0.13 -0.17 -0.04 1.21 0.85 1a9xC1 ILE 2116 HG23 -0.02 0.03 -0.20 -0.04 0.93 0.71 1a9xC1 ILE 2116 HD13 -0.08 -0.00 -0.19 -0.04 0.88 0.58 1a9xC1 GLY 2117 H -0.00 0.27 0.14 -0.55 8.43 8.29 1a9xC1 GLY 2117 HA2 0.01 0.22 0.44 -0.51 4.01 4.18 1a9xC1 GLY 2117 HA3 0.01 -0.03 0.61 -0.51 4.01 4.08 1a9xC1 ALA 2118 H 0.01 0.54 -0.23 -0.55 8.40 8.16 1a9xC1 ALA 2118 HA 0.01 0.07 0.68 -0.75 4.34 4.35 1a9xC1 ALA 2118 HB3 0.01 0.01 -0.07 -0.04 1.41 1.31 1a9xC1 THR 2119 H 0.01 0.15 0.11 -0.55 8.28 8.00 1a9xC1 THR 2119 HA 0.01 0.24 0.48 -0.75 4.39 4.37 1a9xC1 THR 2119 HB 0.01 -0.02 0.18 -0.04 4.32 4.45 1a9xC1 THR 2119 HG23 0.01 0.07 0.07 -0.04 1.22 1.34 1a9xC1 ALA 2120 H 0.01 0.23 0.19 -0.55 8.40 8.28 1a9xC1 ALA 2120 HA 0.03 0.11 0.38 -0.75 4.34 4.11 1a9xC1 ALA 2120 HB3 0.01 0.03 0.09 -0.04 1.41 1.51 1a9xC1 ASP 2121 H 0.02 0.06 -0.25 -0.55 8.40 7.68 1a9xC1 ASP 2121 HA 0.03 0.13 0.50 -0.75 4.63 4.53 1a9xC1 ASP 2121 HB2 0.01 0.00 0.09 -0.04 2.71 2.77 1a9xC1 ASP 2121 HB3 0.01 0.04 0.04 -0.04 2.70 2.75 1a9xC1 ALA 2122 H 0.02 0.03 -0.20 -0.55 8.40 7.70 1a9xC1 ALA 2122 HA 0.02 0.33 0.40 -0.75 4.34 4.33 1a9xC1 ALA 2122 HB3 0.02 0.02 -0.07 -0.04 1.41 1.34 1a9xC1 ILE 2123 H 0.03 0.46 -0.27 -0.55 8.25 7.92 1a9xC1 ILE 2123 HA -0.01 0.02 0.36 -0.75 4.18 3.81 1a9xC1 ILE 2123 HB 0.06 0.07 0.08 -0.04 1.89 2.06 1a9xC1 ILE 2123 HG12 0.01 0.00 -0.05 -0.04 1.49 1.41 1a9xC1 ILE 2123 HG13 0.02 0.06 -0.09 -0.04 1.21 1.15 1a9xC1 ILE 2123 HG23 0.06 -0.01 -0.13 -0.04 0.93 0.81 1a9xC1 ILE 2123 HD13 0.02 -0.01 -0.16 -0.04 0.88 0.69 1a9xC1 ASP 2124 H 0.08 0.51 -0.26 -0.55 8.40 8.19 1a9xC1 ASP 2124 HA 0.28 -0.03 0.44 -0.75 4.63 4.56 1a9xC1 ASP 2124 HB2 0.15 0.04 0.14 -0.04 2.71 3.01 1a9xC1 ASP 2124 HB3 0.09 0.15 0.16 -0.04 2.70 3.06 1a9xC1 LYS 2125 H 0.04 0.55 -0.20 -0.55 8.42 8.25 1a9xC1 LYS 2125 HA 0.05 -0.06 0.38 -0.75 4.32 3.94 1a9xC1 LYS 2125 HB2 0.03 0.13 0.16 -0.04 1.87 2.15 1a9xC1 LYS 2125 HB3 0.04 0.10 0.10 -0.04 1.79 1.98 1a9xC1 LYS 2125 HG2 0.01 -0.04 -0.05 -0.04 1.46 1.34 1a9xC1 LYS 2125 HG3 0.02 -0.10 0.03 -0.04 1.46 1.36 1a9xC1 LYS 2125 HD2 0.01 -0.04 0.00 -0.04 1.69 1.62 1a9xC1 LYS 2125 HD3 0.00 0.12 0.09 -0.04 1.68 1.85 1a9xC1 LYS 2125 HE2 -0.04 -0.07 -0.06 -0.04 2.99 2.78 1a9xC1 LYS 2125 HE3 -0.01 -0.10 -0.02 -0.04 2.99 2.82 1a9xC1 ALA 2126 H 0.00 0.41 -0.29 -0.55 8.40 7.99 1a9xC1 ALA 2126 HA 0.21 0.10 0.71 -0.75 4.34 4.61 1a9xC1 ALA 2126 HB3 -0.02 0.02 0.02 -0.04 1.41 1.39 1a9xC1 GLU 2127 H -0.23 0.60 0.06 -0.55 8.60 8.48 1a9xC1 GLU 2127 HA -0.39 0.10 0.66 -0.75 4.29 3.90 1a9xC1 GLU 2127 HB2 -1.36 0.11 0.12 -0.04 2.09 0.91 1a9xC1 GLU 2127 HB3 -1.88 -0.17 0.12 -0.04 1.99 0.02 1a9xC1 GLU 2127 HG2 -0.30 0.11 0.09 -0.04 2.34 2.20 1a9xC1 GLU 2127 HG3 -0.41 -0.04 0.00 -0.04 2.34 1.85 1a9xC1 ASP 2128 H -0.12 0.68 -0.13 -0.55 8.40 8.27 1a9xC1 ASP 2128 HA 0.11 0.00 0.74 -0.75 4.63 4.73 1a9xC1 ASP 2128 HB2 0.35 0.02 0.11 -0.04 2.71 3.14 1a9xC1 ASP 2128 HB3 0.12 0.36 0.22 -0.04 2.70 3.36 1a9xC1 ARG 2129 H 0.03 0.19 0.15 -0.55 8.46 8.28 1a9xC1 ARG 2129 HA 0.05 0.16 0.26 -0.75 4.34 4.05 1a9xC1 ARG 2129 HB2 0.02 -0.03 -0.04 -0.04 1.90 1.81 1a9xC1 ARG 2129 HB3 0.01 0.01 0.03 -0.04 1.80 1.81 1a9xC1 ARG 2129 HG2 -0.09 0.07 -0.06 -0.04 1.67 1.54 1a9xC1 ARG 2129 HG3 -0.03 -0.02 -0.01 -0.04 1.67 1.57 1a9xC1 ARG 2129 HD2 -0.03 0.06 -0.13 -0.04 3.22 3.07 1a9xC1 ARG 2129 HD3 -0.08 -0.02 -0.04 -0.04 3.22 3.04 1a9xC1 ARG 2130 H 0.08 0.05 -0.34 -0.55 8.46 7.69 1a9xC1 ARG 2130 HA 0.05 0.09 0.46 -0.75 4.34 4.19 1a9xC1 ARG 2130 HB2 0.08 -0.01 0.06 -0.04 1.90 1.99 1a9xC1 ARG 2130 HB3 0.08 0.00 0.06 -0.04 1.80 1.90 1a9xC1 ARG 2130 HG2 0.04 0.02 -0.06 -0.04 1.67 1.62 1a9xC1 ARG 2130 HG3 0.04 -0.02 0.03 -0.04 1.67 1.68 1a9xC1 ARG 2130 HD2 0.05 0.02 -0.03 -0.04 3.22 3.22 1a9xC1 ARG 2130 HD3 0.11 -0.00 -0.01 -0.04 3.22 3.27 1a9xC1 ARG 2131 H 0.07 0.07 -0.11 -0.55 8.46 7.95 1a9xC1 ARG 2131 HA 0.03 0.01 0.35 -0.75 4.34 3.97 1a9xC1 ARG 2131 HB2 0.07 0.16 0.16 -0.04 1.90 2.25 1a9xC1 ARG 2131 HB3 0.04 0.06 0.04 -0.04 1.80 1.90 1a9xC1 ARG 2131 HG2 0.03 -0.01 0.02 -0.04 1.67 1.67 1a9xC1 ARG 2131 HG3 0.06 -0.10 0.03 -0.04 1.67 1.62 1a9xC1 ARG 2131 HD2 0.05 -0.03 -0.03 -0.04 3.22 3.17 1a9xC1 ARG 2131 HD3 0.07 0.08 -0.14 -0.04 3.22 3.18 1a9xC1 PHE 2132 H 0.17 0.46 -0.24 -0.55 8.34 8.17 1a9xC1 PHE 2132 HA -0.03 0.11 0.50 -0.75 4.62 4.44 1a9xC1 PHE 2132 HB2 -0.06 0.20 0.07 -0.04 3.15 3.32 1a9xC1 PHE 2132 HB3 -0.05 -0.01 0.06 -0.04 3.06 3.02 1a9xC1 PHE 2132 HD2 -0.06 0.07 -0.11 -0.04 7.28 7.14 1a9xC1 PHE 2132 HE2 -0.08 -0.00 -0.24 -0.04 7.38 7.02 1a9xC1 PHE 2132 HZ -0.12 -0.04 -0.24 -0.04 7.32 6.88 1a9xC1 ASP 2133 H 0.14 0.44 -0.16 -0.55 8.40 8.26 1a9xC1 ASP 2133 HA -0.01 0.02 0.36 -0.75 4.63 4.25 1a9xC1 ASP 2133 HB2 0.08 0.12 0.15 -0.04 2.71 3.02 1a9xC1 ASP 2133 HB3 0.03 0.05 0.08 -0.04 2.70 2.81 1a9xC1 VAL 2134 H -0.02 0.44 -0.28 -0.55 8.24 7.83 1a9xC1 VAL 2134 HA -0.04 0.01 0.48 -0.75 4.13 3.83 1a9xC1 VAL 2134 HB -0.02 0.13 0.15 -0.04 2.12 2.34 1a9xC1 VAL 2134 HG13 -0.03 -0.01 -0.17 -0.04 0.97 0.72 1a9xC1 VAL 2134 HG23 -0.00 -0.01 -0.00 -0.04 0.95 0.90 1a9xC1 ALA 2135 H -0.14 0.56 -0.16 -0.55 8.40 8.12 1a9xC1 ALA 2135 HA -0.10 -0.01 0.41 -0.75 4.34 3.88 1a9xC1 ALA 2135 HB3 -0.23 0.04 0.07 -0.04 1.41 1.25 1a9xC1 MET 2136 H -0.34 0.60 -0.22 -0.55 8.47 7.97 1a9xC1 MET 2136 HA -0.20 -0.03 0.31 -0.75 4.52 3.84 1a9xC1 MET 2136 HB2 -0.17 0.07 0.06 -0.04 2.15 2.07 1a9xC1 MET 2136 HB3 -0.10 0.02 -0.18 -0.04 2.03 1.73 1a9xC1 MET 2136 HG2 -1.01 0.19 -0.10 -0.04 2.63 1.67 1a9xC1 MET 2136 HG3 -0.12 -0.04 -0.18 -0.04 2.56 2.18 1a9xC1 MET 2136 HE3 -0.57 0.01 -0.21 -0.04 2.10 1.28 1a9xC1 LYS 2137 H -0.08 0.50 -0.12 -0.55 8.42 8.16 1a9xC1 LYS 2137 HA -0.03 0.04 0.40 -0.75 4.32 3.98 1a9xC1 LYS 2137 HB2 -0.03 -0.01 0.13 -0.04 1.87 1.92 1a9xC1 LYS 2137 HB3 -0.03 0.10 0.13 -0.04 1.79 1.94 1a9xC1 LYS 2137 HG2 -0.02 0.01 -0.06 -0.04 1.46 1.35 1a9xC1 LYS 2137 HG3 -0.01 -0.04 0.05 -0.04 1.46 1.42 1a9xC1 LYS 2137 HD2 -0.01 0.01 0.01 -0.04 1.69 1.66 1a9xC1 LYS 2137 HD3 -0.01 -0.00 -0.03 -0.04 1.68 1.59 1a9xC1 LYS 2137 HE2 -0.01 -0.02 -0.00 -0.04 2.99 2.92 1a9xC1 LYS 2137 HE3 -0.01 -0.01 0.01 -0.04 2.99 2.94 1a9xC1 LYS 2138 H -0.07 0.47 -0.39 -0.55 8.42 7.88 1a9xC1 LYS 2138 HA -0.03 -0.03 0.39 -0.75 4.32 3.90 1a9xC1 LYS 2138 HB2 -0.04 0.00 0.11 -0.04 1.87 1.90 1a9xC1 LYS 2138 HB3 -0.06 0.19 0.20 -0.04 1.79 2.08 1a9xC1 LYS 2138 HG2 -0.03 0.01 -0.22 -0.04 1.46 1.18 1a9xC1 LYS 2138 HG3 -0.02 -0.07 0.03 -0.04 1.46 1.35 1a9xC1 LYS 2138 HD2 -0.03 -0.04 -0.02 -0.04 1.69 1.56 1a9xC1 LYS 2138 HD3 -0.04 0.04 -0.01 -0.04 1.68 1.63 1a9xC1 LYS 2138 HE2 -0.02 -0.00 -0.06 -0.04 2.99 2.87 1a9xC1 LYS 2138 HE3 -0.02 -0.05 -0.02 -0.04 2.99 2.86 1a9xC1 ILE 2139 H -0.06 0.50 -0.04 -0.55 8.25 8.10 1a9xC1 ILE 2139 HA -0.02 0.09 0.60 -0.75 4.18 4.09 1a9xC1 ILE 2139 HB -0.02 -0.07 0.13 -0.04 1.89 1.89 1a9xC1 ILE 2139 HG12 -0.08 0.21 0.07 -0.04 1.49 1.65 1a9xC1 ILE 2139 HG13 -0.03 -0.08 -0.11 -0.04 1.21 0.95 1a9xC1 ILE 2139 HG23 -0.04 0.02 -0.02 -0.04 0.93 0.85 1a9xC1 ILE 2139 HD13 -0.04 -0.04 -0.19 -0.04 0.88 0.57 1a9xC1 GLY 2140 H -0.03 0.31 -0.64 -0.55 8.43 7.52 1a9xC1 GLY 2140 HA2 -0.01 0.02 0.27 -0.51 4.01 3.78 1a9xC1 GLY 2140 HA3 -0.00 0.00 0.45 -0.51 4.01 3.95 1a9xC1 LEU 2141 H -0.02 0.45 -0.13 -0.55 8.37 8.13 1a9xC1 LEU 2141 HA 0.04 0.10 0.75 -0.75 4.35 4.48 1a9xC1 LEU 2141 HB2 0.00 -0.01 -0.01 -0.04 1.64 1.58 1a9xC1 LEU 2141 HB3 0.08 -0.05 0.03 -0.04 1.64 1.66 1a9xC1 LEU 2141 HG 0.01 0.10 -0.23 -0.04 1.64 1.48 1a9xC1 LEU 2141 HD13 0.08 -0.03 -0.04 -0.04 0.93 0.90 1a9xC1 LEU 2141 HD23 0.06 0.01 -0.05 -0.04 0.89 0.87 1a9xC1 GLU 2142 H 0.07 0.13 0.18 -0.55 8.60 8.43 1a9xC1 GLU 2142 HA 0.03 0.19 0.81 -0.75 4.29 4.57 1a9xC1 GLU 2142 HB2 0.06 0.01 0.08 -0.04 2.09 2.20 1a9xC1 GLU 2142 HB3 0.09 0.08 0.17 -0.04 1.99 2.29 1a9xC1 GLU 2142 HG2 0.06 0.04 -0.17 -0.04 2.34 2.23 1a9xC1 GLU 2142 HG3 0.04 0.01 0.07 -0.04 2.34 2.42 1a9xC1 THR 2143 H 0.02 0.25 0.20 -0.55 8.28 8.20 1a9xC1 THR 2143 HA 0.04 0.21 0.75 -0.75 4.39 4.64 1a9xC1 THR 2143 HB 0.04 0.00 0.11 -0.04 4.32 4.44 1a9xC1 THR 2143 HG23 0.05 0.03 -0.24 -0.04 1.22 1.02 1a9xC1 ALA 2144 H -0.03 0.15 0.09 -0.55 8.40 8.07 1a9xC1 ALA 2144 HA -0.07 0.04 0.51 -0.75 4.34 4.06 1a9xC1 ALA 2144 HB3 -0.11 0.01 0.02 -0.04 1.41 1.29 1a9xC1 ARG 2145 H -0.05 0.08 0.17 -0.55 8.46 8.11 1a9xC1 ARG 2145 HA -0.02 0.07 0.49 -0.75 4.34 4.13 1a9xC1 ARG 2145 HB2 -0.02 0.02 0.15 -0.04 1.90 2.02 1a9xC1 ARG 2145 HB3 -0.04 -0.04 0.22 -0.04 1.80 1.91 1a9xC1 ARG 2145 HG2 -0.04 -0.01 -0.30 -0.04 1.67 1.28 1a9xC1 ARG 2145 HG3 -0.02 0.02 0.02 -0.04 1.67 1.65 1a9xC1 ARG 2145 HD2 -0.03 -0.02 0.05 -0.04 3.22 3.17 1a9xC1 ARG 2145 HD3 -0.04 0.04 -0.05 -0.04 3.22 3.12 1a9xC1 SER 2146 H -0.02 0.22 0.29 -0.55 8.46 8.40 1a9xC1 SER 2146 HA -0.03 0.15 0.86 -0.75 4.49 4.71 1a9xC1 SER 2146 HB2 -0.01 -0.06 -0.02 -0.04 3.95 3.81 1a9xC1 SER 2146 HB3 -0.02 -0.03 -0.25 -0.04 3.93 3.60 1a9xC1 GLY 2147 H -0.01 0.74 0.40 -0.55 8.43 9.01 1a9xC1 GLY 2147 HA2 -0.02 0.13 0.87 -0.51 4.01 4.47 1a9xC1 GLY 2147 HA3 -0.02 0.01 0.34 -0.51 4.01 3.83 1a9xC1 ILE 2148 H -0.04 0.15 0.19 -0.55 8.25 8.00 1a9xC1 ILE 2148 HA -0.06 0.27 0.94 -0.75 4.18 4.57 1a9xC1 ILE 2148 HB -0.05 -0.02 0.16 -0.04 1.89 1.94 1a9xC1 ILE 2148 HG12 -0.01 -0.02 -0.10 -0.04 1.49 1.32 1a9xC1 ILE 2148 HG13 0.01 -0.02 0.01 -0.04 1.21 1.17 1a9xC1 ILE 2148 HG23 -0.20 -0.01 -0.06 -0.04 0.93 0.63 1a9xC1 ILE 2148 HD13 0.02 0.03 -0.16 -0.04 0.88 0.73 1a9xC1 ALA 2149 H -0.17 0.65 0.36 -0.55 8.40 8.70 1a9xC1 ALA 2149 HA -0.21 0.11 0.73 -0.75 4.34 4.22 1a9xC1 ALA 2149 HB3 -0.03 0.01 -0.16 -0.04 1.41 1.18 1a9xC1 HIS 2150 H -0.10 0.02 0.22 -0.55 8.41 7.99 1a9xC1 HIS 2150 HA 0.01 0.37 1.07 -0.75 4.63 5.32 1a9xC1 HIS 2150 HB2 0.01 -0.09 0.06 -0.04 3.26 3.21 1a9xC1 HIS 2150 HB3 0.01 0.14 0.22 -0.04 3.20 3.52 1a9xC1 HIS 2150 HD2 0.01 0.22 0.10 -0.04 6.97 7.25 1a9xC1 HIS 2150 HE1 0.01 -0.01 -0.05 -0.04 7.75 7.67 1a9xC1 THR 2151 H 0.03 0.02 0.23 -0.55 8.28 8.02 1a9xC1 THR 2151 HA 0.04 0.36 0.79 -0.75 4.39 4.83 1a9xC1 THR 2151 HB 0.04 -0.01 0.13 -0.04 4.32 4.44 1a9xC1 THR 2151 HG23 0.06 0.06 -0.13 -0.04 1.22 1.17 1a9xC1 MET 2152 H 0.03 0.30 0.14 -0.55 8.47 8.40 1a9xC1 MET 2152 HA 0.03 0.12 0.33 -0.75 4.52 4.25 1a9xC1 MET 2152 HB2 0.02 0.12 0.09 -0.04 2.15 2.34 1a9xC1 MET 2152 HB3 0.04 0.02 0.04 -0.04 2.03 2.09 1a9xC1 MET 2152 HG2 0.06 0.05 -0.03 -0.04 2.63 2.67 1a9xC1 MET 2152 HG3 0.10 -0.08 0.01 -0.04 2.56 2.54 1a9xC1 MET 2152 HE3 -0.03 -0.00 -0.11 -0.04 2.10 1.91 1a9xC1 GLU 2153 H 0.04 0.09 -0.21 -0.55 8.60 7.98 1a9xC1 GLU 2153 HA 0.05 0.14 0.48 -0.75 4.29 4.22 1a9xC1 GLU 2153 HB2 0.03 0.06 0.05 -0.04 2.09 2.19 1a9xC1 GLU 2153 HB3 0.03 -0.06 0.06 -0.04 1.99 1.99 1a9xC1 GLU 2153 HG2 0.03 0.02 -0.42 -0.04 2.34 1.93 1a9xC1 GLU 2153 HG3 0.03 0.01 -0.04 -0.04 2.34 2.29 1a9xC1 GLU 2154 H 0.04 -0.02 -0.20 -0.55 8.60 7.86 1a9xC1 GLU 2154 HA 0.02 0.12 0.41 -0.75 4.29 4.09 1a9xC1 GLU 2154 HB2 0.02 -0.13 0.27 -0.04 2.09 2.20 1a9xC1 GLU 2154 HB3 -0.03 0.04 0.19 -0.04 1.99 2.15 1a9xC1 GLU 2154 HG2 0.01 0.10 0.10 -0.04 2.34 2.51 1a9xC1 GLU 2154 HG3 0.04 0.00 0.07 -0.04 2.34 2.41 1a9xC1 ALA 2155 H 0.05 0.56 -0.14 -0.55 8.40 8.32 1a9xC1 ALA 2155 HA 0.11 0.04 0.24 -0.75 4.34 3.98 1a9xC1 ALA 2155 HB3 0.09 0.03 -0.00 -0.04 1.41 1.48 1a9xC1 LEU 2156 H 0.18 0.56 -0.18 -0.55 8.37 8.38 1a9xC1 LEU 2156 HA 0.09 -0.05 0.32 -0.75 4.35 3.96 1a9xC1 LEU 2156 HB2 0.07 0.10 0.14 -0.04 1.64 1.91 1a9xC1 LEU 2156 HB3 0.05 -0.05 0.04 -0.04 1.64 1.63 1a9xC1 LEU 2156 HG 0.25 0.13 0.14 -0.04 1.64 2.12 1a9xC1 LEU 2156 HD13 0.10 -0.04 -0.04 -0.04 0.93 0.91 1a9xC1 LEU 2156 HD23 0.25 -0.03 -0.03 -0.04 0.89 1.04 1a9xC1 ALA 2157 H 0.03 0.49 -0.38 -0.55 8.40 8.00 1a9xC1 ALA 2157 HA -0.04 0.05 0.54 -0.75 4.34 4.14 1a9xC1 ALA 2157 HB3 -0.01 0.03 0.09 -0.04 1.41 1.48 1a9xC1 VAL 2158 H 0.02 0.47 -0.13 -0.55 8.24 8.05 1a9xC1 VAL 2158 HA -0.04 0.06 0.50 -0.75 4.13 3.90 1a9xC1 VAL 2158 HB 0.05 0.06 0.09 -0.04 2.12 2.28 1a9xC1 VAL 2158 HG13 -0.02 -0.00 -0.01 -0.04 0.97 0.90 1a9xC1 VAL 2158 HG23 -0.01 0.05 -0.09 -0.04 0.95 0.86 1a9xC1 ALA 2159 H -0.10 0.53 -0.13 -0.55 8.40 8.14 1a9xC1 ALA 2159 HA -0.36 0.05 0.20 -0.75 4.34 3.48 1a9xC1 ALA 2159 HB3 -0.98 0.00 -0.07 -0.04 1.41 0.32 1a9xC1 ALA 2160 H -0.18 0.31 -0.61 -0.55 8.40 7.38 1a9xC1 ALA 2160 HA -0.23 -0.01 0.45 -0.75 4.34 3.80 1a9xC1 ALA 2160 HB3 -0.10 0.03 0.09 -0.04 1.41 1.39 1a9xC1 ASP 2161 H -0.13 0.27 -0.35 -0.55 8.40 7.64 1a9xC1 ASP 2161 HA -0.08 0.04 0.55 -0.75 4.63 4.38 1a9xC1 ASP 2161 HB2 -0.06 0.01 0.15 -0.04 2.71 2.77 1a9xC1 ASP 2161 HB3 -0.07 0.14 0.26 -0.04 2.70 2.99 1a9xC1 VAL 2162 H -0.13 0.57 0.06 -0.55 8.24 8.19 1a9xC1 VAL 2162 HA -0.08 0.10 0.59 -0.75 4.13 3.98 1a9xC1 VAL 2162 HB -0.07 -0.08 0.03 -0.04 2.12 1.95 1a9xC1 VAL 2162 HG13 -0.05 0.01 -0.17 -0.04 0.97 0.71 1a9xC1 VAL 2162 HG23 -0.10 0.06 -0.35 -0.04 0.95 0.51 1a9xC1 GLY 2163 H -0.28 0.23 -0.39 -0.55 8.43 7.44 1a9xC1 GLY 2163 HA2 -0.37 0.00 0.26 -0.51 4.01 3.40 1a9xC1 GLY 2163 HA3 -0.16 0.10 0.45 -0.51 4.01 3.89 1a9xC1 PHE 2164 H -0.11 0.12 0.14 -0.55 8.34 7.94 1a9xC1 PHE 2164 HA -0.07 0.06 0.68 -0.75 4.62 4.54 1a9xC1 PHE 2164 HB2 -0.01 -0.01 0.07 -0.04 3.15 3.16 1a9xC1 PHE 2164 HB3 0.01 0.04 -0.01 -0.04 3.06 3.06 1a9xC1 PHE 2164 HD2 -0.06 0.08 -0.08 -0.04 7.28 7.19 1a9xC1 PHE 2164 HE2 -0.22 -0.03 -0.15 -0.04 7.38 6.94 1a9xC1 PHE 2164 HZ -0.38 -0.04 -0.22 -0.04 7.32 6.64 1a9xC1 PRO 2165 HA 0.18 0.18 0.53 -0.51 4.44 4.83 1a9xC1 PRO 2165 HB2 -0.19 -0.02 -0.08 -0.04 2.28 1.95 1a9xC1 PRO 2165 HB3 -0.50 -0.02 0.01 -0.04 2.02 1.47 1a9xC1 PRO 2165 HG2 0.06 -0.04 0.05 -0.04 2.03 2.06 1a9xC1 PRO 2165 HG3 0.28 0.03 0.07 -0.04 2.03 2.36 1a9xC1 PRO 2165 HD2 0.08 0.07 0.25 -0.04 3.68 4.04 1a9xC1 PRO 2165 HD3 0.16 0.10 0.29 -0.04 3.65 4.16 1a9xC1 CYS 2166 H 0.06 0.30 0.37 -0.55 8.50 8.69 1a9xC1 CYS 2166 HA -0.01 0.28 0.91 -0.75 4.58 5.00 1a9xC1 CYS 2166 HB2 0.03 0.03 -0.00 -0.04 2.97 2.99 1a9xC1 CYS 2166 HB3 -0.04 0.55 -0.14 -0.04 2.97 3.30 1a9xC1 ILE 2167 H -0.01 0.71 0.25 -0.55 8.25 8.64 1a9xC1 ILE 2167 HA -0.02 0.18 1.03 -0.75 4.18 4.62 1a9xC1 ILE 2167 HB -0.04 0.06 0.07 -0.04 1.89 1.94 1a9xC1 ILE 2167 HG12 -0.05 -0.06 -0.09 -0.04 1.49 1.25 1a9xC1 ILE 2167 HG13 -0.04 -0.00 -0.06 -0.04 1.21 1.06 1a9xC1 ILE 2167 HG23 -0.02 -0.01 -0.17 -0.04 0.93 0.69 1a9xC1 ILE 2167 HD13 -0.06 -0.02 -0.44 -0.04 0.88 0.32 1a9xC1 ILE 2168 H -0.01 0.57 0.36 -0.55 8.25 8.62 1a9xC1 ILE 2168 HA 0.00 0.23 0.96 -0.75 4.18 4.62 1a9xC1 ILE 2168 HB -0.05 -0.05 0.11 -0.04 1.89 1.86 1a9xC1 ILE 2168 HG12 -0.12 -0.00 -0.12 -0.04 1.49 1.21 1a9xC1 ILE 2168 HG13 0.09 -0.03 -0.41 -0.04 1.21 0.82 1a9xC1 ILE 2168 HG23 -0.09 0.01 -0.20 -0.04 0.93 0.62 1a9xC1 ILE 2168 HD13 0.03 0.01 -0.14 -0.04 0.88 0.73 1a9xC1 ARG 2169 H -0.02 0.71 0.32 -0.55 8.46 8.92 1a9xC1 ARG 2169 HA -0.02 0.19 0.89 -0.75 4.34 4.64 1a9xC1 ARG 2169 HB2 -0.03 0.03 0.10 -0.04 1.90 1.96 1a9xC1 ARG 2169 HB3 -0.04 0.07 -0.07 -0.04 1.80 1.72 1a9xC1 ARG 2169 HG2 -0.02 0.01 -0.06 -0.04 1.67 1.56 1a9xC1 ARG 2169 HG3 -0.02 -0.07 -0.44 -0.04 1.67 1.10 1a9xC1 ARG 2169 HD2 -0.06 0.02 -0.08 -0.04 3.22 3.06 1a9xC1 ARG 2169 HD3 -0.05 -0.09 -0.11 -0.04 3.22 2.93 1a9xC1 PRO 2170 HA 0.00 0.10 0.72 -0.51 4.44 4.75 1a9xC1 PRO 2170 HB2 0.01 0.02 -0.07 -0.04 2.28 2.20 1a9xC1 PRO 2170 HB3 0.01 0.15 0.14 -0.04 2.02 2.28 1a9xC1 PRO 2170 HG2 -0.02 0.29 0.03 -0.04 2.03 2.29 1a9xC1 PRO 2170 HG3 -0.02 0.05 -0.08 -0.04 2.03 1.93 1a9xC1 PRO 2170 HD2 -0.02 0.05 0.03 -0.04 3.68 3.70 1a9xC1 PRO 2170 HD3 -0.02 0.11 -0.19 -0.04 3.65 3.51 1a9xC1 SER 2171 H 0.06 0.53 0.29 -0.55 8.46 8.78 1a9xC1 SER 2171 HA 0.00 0.13 0.74 -0.75 4.49 4.61 1a9xC1 SER 2171 HB2 0.18 -0.01 0.12 -0.04 3.95 4.19 1a9xC1 SER 2171 HB3 0.23 0.08 0.25 -0.04 3.93 4.44 1a9xC1 PHE 2172 H -0.22 0.60 0.35 -0.55 8.34 8.52 1a9xC1 PHE 2172 HA -0.02 -0.01 0.40 -0.75 4.62 4.22 1a9xC1 PHE 2172 HB2 -0.02 -0.00 -0.30 -0.04 3.15 2.79 1a9xC1 PHE 2172 HB3 -0.02 0.01 0.28 -0.04 3.06 3.29 1a9xC1 PHE 2172 HD2 -0.02 -0.05 -0.10 -0.04 7.28 7.06 1a9xC1 PHE 2172 HE2 -0.01 -0.00 -0.09 -0.04 7.38 7.23 1a9xC1 PHE 2172 HZ -0.01 -0.03 -0.05 -0.04 7.32 7.19 1a9xC1 THR 2173 H -0.01 0.26 -0.18 -0.55 8.28 7.81 1a9xC1 THR 2173 HA 0.02 0.16 0.81 -0.75 4.39 4.63 1a9xC1 THR 2173 HB -0.00 -0.15 0.17 -0.04 4.32 4.29 1a9xC1 THR 2173 HG23 0.02 0.06 -0.21 -0.04 1.22 1.06 1a9xC1 MET 2174 H -0.01 0.29 0.21 -0.55 8.47 8.41 1a9xC1 MET 2174 HA 0.01 0.13 0.56 -0.75 4.52 4.47 1a9xC1 MET 2174 HB2 0.03 -0.16 0.22 -0.04 2.15 2.19 1a9xC1 MET 2174 HB3 -0.02 0.23 -0.04 -0.04 2.03 2.16 1a9xC1 MET 2174 HG2 0.00 -0.01 -0.05 -0.04 2.63 2.53 1a9xC1 MET 2174 HG3 -0.01 0.03 -0.06 -0.04 2.56 2.48 1a9xC1 MET 2174 HE3 0.11 -0.03 0.06 -0.04 2.10 2.20 1a9xC1 GLY 2175 H 0.07 0.14 0.19 -0.55 8.43 8.29 1a9xC1 GLY 2175 HA2 -0.30 -0.06 0.43 -0.51 4.01 3.56 1a9xC1 GLY 2175 HA3 -0.13 0.14 0.49 -0.51 4.01 4.00 1a9xC1 GLY 2176 H 0.04 0.00 -0.47 -0.55 8.43 7.45 1a9xC1 GLY 2176 HA2 0.05 0.04 0.22 -0.51 4.01 3.81 1a9xC1 GLY 2176 HA3 -0.01 0.30 0.61 -0.51 4.01 4.40 1a9xC1 SER 2177 H -0.05 0.37 -0.37 -0.55 8.46 7.86 1a9xC1 SER 2177 HA -0.07 0.03 0.37 -0.75 4.49 4.07 1a9xC1 SER 2177 HB2 -0.03 -0.14 0.16 -0.04 3.95 3.90 1a9xC1 SER 2177 HB3 -0.05 0.07 0.01 -0.04 3.93 3.92 1a9xC1 GLY 2178 H -0.06 0.16 0.21 -0.55 8.43 8.19 1a9xC1 GLY 2178 HA2 -0.05 0.03 0.28 -0.51 4.01 3.76 1a9xC1 GLY 2178 HA3 -0.03 0.10 0.46 -0.51 4.01 4.02 1a9xC1 GLY 2179 H -0.03 0.47 -0.36 -0.55 8.43 7.97 1a9xC1 GLY 2179 HA2 -0.04 0.14 0.81 -0.51 4.01 4.41 1a9xC1 GLY 2179 HA3 -0.02 0.06 0.32 -0.51 4.01 3.86 1a9xC1 GLY 2180 H -0.02 0.45 0.34 -0.55 8.43 8.66 1a9xC1 GLY 2180 HA2 0.00 -0.14 0.35 -0.51 4.01 3.72 1a9xC1 GLY 2180 HA3 -0.01 0.16 0.57 -0.51 4.01 4.22 1a9xC1 ILE 2181 H -0.02 0.21 0.24 -0.55 8.25 8.13 1a9xC1 ILE 2181 HA -0.09 0.32 1.27 -0.75 4.18 4.92 1a9xC1 ILE 2181 HB -0.12 -0.03 0.18 -0.04 1.89 1.88 1a9xC1 ILE 2181 HG12 -0.08 0.02 -0.04 -0.04 1.49 1.35 1a9xC1 ILE 2181 HG13 -0.03 -0.15 -0.14 -0.04 1.21 0.86 1a9xC1 ILE 2181 HG23 -0.68 0.00 -0.20 -0.04 0.93 0.01 1a9xC1 ILE 2181 HD13 0.05 0.02 0.09 -0.04 0.88 1.00 1a9xC1 ALA 2182 H -0.06 0.67 0.34 -0.55 8.40 8.81 1a9xC1 ALA 2182 HA -0.09 0.23 1.17 -0.75 4.34 4.90 1a9xC1 ALA 2182 HB3 0.16 0.01 -0.04 -0.04 1.41 1.50 1a9xC1 TYR 2183 H 0.00 0.13 0.21 -0.55 8.29 8.09 1a9xC1 TYR 2183 HA -0.08 0.22 0.92 -0.75 4.56 4.88 1a9xC1 TYR 2183 HB2 -0.08 -0.03 0.10 -0.04 3.06 3.01 1a9xC1 TYR 2183 HB3 -0.06 0.05 0.13 -0.04 2.98 3.06 1a9xC1 TYR 2183 HD2 -0.01 0.01 0.02 -0.04 7.15 7.13 1a9xC1 TYR 2183 HE2 0.01 0.04 -0.01 -0.04 6.85 6.84 1a9xC1 ASN 2184 H -0.36 0.13 0.12 -0.55 8.53 7.87 1a9xC1 ASN 2184 HA -0.87 0.25 0.54 -0.75 4.76 3.93 1a9xC1 ASN 2184 HB2 -0.14 -0.08 0.15 -0.04 2.88 2.77 1a9xC1 ASN 2184 HB3 -0.13 0.26 -0.02 -0.04 2.79 2.86 1a9xC1 ASN 2184 HD21 -0.02 0.05 -0.04 -0.04 7.03 6.98 1a9xC1 ASN 2184 HD22 -0.04 0.16 -0.15 -0.04 7.74 7.67 1a9xC1 ARG 2185 H -0.18 0.27 0.13 -0.55 8.46 8.13 1a9xC1 ARG 2185 HA 0.13 0.11 0.35 -0.75 4.34 4.18 1a9xC1 ARG 2185 HB2 0.14 0.08 0.12 -0.04 1.90 2.20 1a9xC1 ARG 2185 HB3 0.06 0.02 0.07 -0.04 1.80 1.91 1a9xC1 ARG 2185 HG2 0.19 -0.07 0.04 -0.04 1.67 1.79 1a9xC1 ARG 2185 HG3 0.16 0.07 0.01 -0.04 1.67 1.86 1a9xC1 ARG 2185 HD2 0.07 0.00 -0.03 -0.04 3.22 3.23 1a9xC1 ARG 2185 HD3 0.09 0.00 -0.06 -0.04 3.22 3.22 1a9xC1 GLU 2186 H -0.02 0.11 -0.14 -0.55 8.60 8.00 1a9xC1 GLU 2186 HA 0.04 0.12 0.42 -0.75 4.29 4.11 1a9xC1 GLU 2186 HB2 0.00 0.01 0.08 -0.04 2.09 2.14 1a9xC1 GLU 2186 HB3 -0.01 -0.01 0.01 -0.04 1.99 1.94 1a9xC1 GLU 2186 HG2 0.01 0.03 -0.07 -0.04 2.34 2.27 1a9xC1 GLU 2186 HG3 0.02 0.02 0.02 -0.04 2.34 2.36 1a9xC1 GLU 2187 H -0.04 0.06 -0.19 -0.55 8.60 7.89 1a9xC1 GLU 2187 HA 0.00 0.11 0.40 -0.75 4.29 4.05 1a9xC1 GLU 2187 HB2 -0.05 -0.16 0.25 -0.04 2.09 2.09 1a9xC1 GLU 2187 HB3 -0.00 0.10 0.04 -0.04 1.99 2.09 1a9xC1 GLU 2187 HG2 0.03 0.11 0.08 -0.04 2.34 2.52 1a9xC1 GLU 2187 HG3 0.01 -0.02 0.05 -0.04 2.34 2.34 1a9xC1 PHE 2188 H 0.09 0.56 -0.11 -0.55 8.34 8.32 1a9xC1 PHE 2188 HA 0.01 0.02 0.27 -0.75 4.62 4.17 1a9xC1 PHE 2188 HB2 0.03 0.02 -0.07 -0.04 3.15 3.08 1a9xC1 PHE 2188 HB3 0.08 0.14 0.13 -0.04 3.06 3.36 1a9xC1 PHE 2188 HD2 0.15 0.00 -0.15 -0.04 7.28 7.25 1a9xC1 PHE 2188 HE2 0.05 -0.01 -0.27 -0.04 7.38 7.11 1a9xC1 PHE 2188 HZ 0.01 0.07 -0.22 -0.04 7.32 7.14 1a9xC1 GLU 2189 H 0.18 0.72 -0.04 -0.55 8.60 8.91 1a9xC1 GLU 2189 HA -0.06 -0.01 0.40 -0.75 4.29 3.86 1a9xC1 GLU 2189 HB2 0.06 0.05 0.11 -0.04 2.09 2.28 1a9xC1 GLU 2189 HB3 0.04 -0.02 0.03 -0.04 1.99 2.00 1a9xC1 GLU 2189 HG2 0.21 -0.05 0.00 -0.04 2.34 2.46 1a9xC1 GLU 2189 HG3 0.20 0.14 0.06 -0.04 2.34 2.70 1a9xC1 GLU 2190 H -0.00 0.43 -0.31 -0.55 8.60 8.18 1a9xC1 GLU 2190 HA -0.03 0.03 0.42 -0.75 4.29 3.96 1a9xC1 GLU 2190 HB2 -0.01 -0.05 0.10 -0.04 2.09 2.09 1a9xC1 GLU 2190 HB3 -0.01 0.06 0.20 -0.04 1.99 2.20 1a9xC1 GLU 2190 HG2 -0.04 0.05 -0.56 -0.04 2.34 1.75 1a9xC1 GLU 2190 HG3 -0.03 -0.02 0.01 -0.04 2.34 2.26 1a9xC1 ILE 2191 H -0.09 0.64 -0.06 -0.55 8.25 8.20 1a9xC1 ILE 2191 HA -0.07 0.10 0.44 -0.75 4.18 3.89 1a9xC1 ILE 2191 HB -0.13 -0.00 -0.03 -0.04 1.89 1.69 1a9xC1 ILE 2191 HG12 -0.04 0.05 -0.10 -0.04 1.49 1.37 1a9xC1 ILE 2191 HG13 -0.04 0.05 -0.01 -0.04 1.21 1.18 1a9xC1 ILE 2191 HG23 -0.07 0.01 -0.31 -0.04 0.93 0.51 1a9xC1 ILE 2191 HD13 -0.02 -0.07 -0.31 -0.04 0.88 0.44 1a9xC1 CYS 2192 H -0.28 0.54 -0.12 -0.55 8.50 8.09 1a9xC1 CYS 2192 HA -0.19 0.05 0.38 -0.75 4.58 4.07 1a9xC1 CYS 2192 HB2 -0.34 0.09 0.09 -0.04 2.97 2.76 1a9xC1 CYS 2192 HB3 -0.22 -0.09 -0.09 -0.04 2.97 2.54 1a9xC1 ALA 2193 H -0.10 0.55 -0.19 -0.55 8.40 8.12 1a9xC1 ALA 2193 HA -0.03 -0.04 0.37 -0.75 4.34 3.88 1a9xC1 ALA 2193 HB3 -0.03 0.02 0.11 -0.04 1.41 1.48 1a9xC1 ARG 2194 H -0.07 0.35 -0.24 -0.55 8.46 7.94 1a9xC1 ARG 2194 HA -0.07 0.07 0.40 -0.75 4.34 3.98 1a9xC1 ARG 2194 HB2 -0.07 0.00 0.16 -0.04 1.90 1.95 1a9xC1 ARG 2194 HB3 -0.07 0.15 0.20 -0.04 1.80 2.05 1a9xC1 ARG 2194 HG2 -0.05 -0.06 -0.10 -0.04 1.67 1.42 1a9xC1 ARG 2194 HG3 -0.06 0.01 0.05 -0.04 1.67 1.63 1a9xC1 ARG 2194 HD2 -0.06 0.04 0.04 -0.04 3.22 3.21 1a9xC1 ARG 2194 HD3 -0.06 -0.03 0.04 -0.04 3.22 3.13 1a9xC1 GLY 2195 H -0.07 0.65 -0.02 -0.55 8.43 8.45 1a9xC1 GLY 2195 HA2 -0.03 -0.04 0.49 -0.51 4.01 3.92 1a9xC1 GLY 2195 HA3 -0.05 0.10 0.34 -0.51 4.01 3.89 1a9xC1 LEU 2196 H -0.04 0.70 -0.16 -0.55 8.37 8.32 1a9xC1 LEU 2196 HA 0.00 -0.06 0.25 -0.75 4.35 3.80 1a9xC1 LEU 2196 HB2 -0.02 0.13 0.10 -0.04 1.64 1.81 1a9xC1 LEU 2196 HB3 0.01 0.01 -0.08 -0.04 1.64 1.53 1a9xC1 LEU 2196 HG -0.03 -0.00 -0.15 -0.04 1.64 1.42 1a9xC1 LEU 2196 HD13 -0.00 -0.04 -0.33 -0.04 0.93 0.52 1a9xC1 LEU 2196 HD23 0.03 0.02 -0.27 -0.04 0.89 0.62 1a9xC1 ASP 2197 H -0.02 0.47 -0.16 -0.55 8.40 8.14 1a9xC1 ASP 2197 HA 0.01 0.06 0.47 -0.75 4.63 4.42 1a9xC1 ASP 2197 HB2 0.00 -0.05 0.13 -0.04 2.71 2.75 1a9xC1 ASP 2197 HB3 -0.02 0.07 0.06 -0.04 2.70 2.77 1a9xC1 LEU 2198 H -0.01 0.21 -0.33 -0.55 8.37 7.69 1a9xC1 LEU 2198 HA -0.00 0.12 0.71 -0.75 4.35 4.43 1a9xC1 LEU 2198 HB2 -0.02 0.09 0.09 -0.04 1.64 1.75 1a9xC1 LEU 2198 HB3 -0.02 -0.02 0.09 -0.04 1.64 1.65 1a9xC1 LEU 2198 HG -0.01 -0.02 -0.09 -0.04 1.64 1.47 1a9xC1 LEU 2198 HD13 -0.01 -0.00 0.02 -0.04 0.93 0.90 1a9xC1 LEU 2198 HD23 -0.03 -0.02 -0.17 -0.04 0.89 0.62 1a9xC1 SER 2199 H 0.01 0.55 -0.01 -0.55 8.46 8.46 1a9xC1 SER 2199 HA 0.04 0.11 0.42 -0.75 4.49 4.31 1a9xC1 SER 2199 HB2 0.03 0.10 0.24 -0.04 3.95 4.28 1a9xC1 SER 2199 HB3 0.03 0.02 0.26 -0.04 3.93 4.19 1a9xC1 PRO 2200 HA -0.03 0.20 0.48 -0.51 4.44 4.57 1a9xC1 PRO 2200 HB2 -0.20 -0.07 0.01 -0.04 2.28 1.97 1a9xC1 PRO 2200 HB3 -0.10 -0.02 0.17 -0.04 2.02 2.02 1a9xC1 PRO 2200 HG2 0.08 0.03 0.20 -0.04 2.03 2.30 1a9xC1 PRO 2200 HG3 0.01 0.02 0.14 -0.04 2.03 2.16 1a9xC1 PRO 2200 HD2 0.12 0.16 0.26 -0.04 3.68 4.18 1a9xC1 PRO 2200 HD3 0.04 0.33 0.28 -0.04 3.65 4.25 1a9xC1 THR 2201 H 0.02 0.09 -0.39 -0.55 8.28 7.45 1a9xC1 THR 2201 HA -0.09 0.24 0.87 -0.75 4.39 4.66 1a9xC1 THR 2201 HB 0.00 -0.03 0.09 -0.04 4.32 4.34 1a9xC1 THR 2201 HG23 -0.35 -0.00 -0.16 -0.04 1.22 0.67 1a9xC1 LYS 2202 H 0.01 0.37 -0.40 -0.55 8.42 7.84 1a9xC1 LYS 2202 HA 0.03 0.33 0.40 -0.75 4.32 4.32 1a9xC1 LYS 2202 HB2 -0.00 0.05 -0.13 -0.04 1.87 1.75 1a9xC1 LYS 2202 HB3 0.01 0.07 0.04 -0.04 1.79 1.87 1a9xC1 LYS 2202 HG2 0.06 -0.06 0.24 -0.04 1.46 1.66 1a9xC1 LYS 2202 HG3 0.03 0.16 0.08 -0.04 1.46 1.69 1a9xC1 LYS 2202 HD2 0.01 0.03 0.02 -0.04 1.69 1.71 1a9xC1 LYS 2202 HD3 0.01 -0.07 0.08 -0.04 1.68 1.66 1a9xC1 LYS 2202 HE2 0.03 0.01 0.02 -0.04 2.99 3.00 1a9xC1 LYS 2202 HE3 0.02 -0.05 0.04 -0.04 2.99 2.96 1a9xC1 GLU 2203 H 0.07 0.13 0.03 -0.55 8.60 8.28 1a9xC1 GLU 2203 HA 0.16 0.27 1.04 -0.75 4.29 5.01 1a9xC1 GLU 2203 HB2 0.21 0.23 -0.24 -0.04 2.09 2.25 1a9xC1 GLU 2203 HB3 0.13 -0.16 -0.01 -0.04 1.99 1.91 1a9xC1 GLU 2203 HG2 0.06 -0.02 -0.20 -0.04 2.34 2.15 1a9xC1 GLU 2203 HG3 0.10 0.04 0.04 -0.04 2.34 2.47 1a9xC1 LEU 2204 H -0.02 0.60 0.37 -0.55 8.37 8.77 1a9xC1 LEU 2204 HA -0.01 0.16 0.83 -0.75 4.35 4.58 1a9xC1 LEU 2204 HB2 -0.04 -0.05 0.03 -0.04 1.64 1.53 1a9xC1 LEU 2204 HB3 -0.04 0.01 -0.19 -0.04 1.64 1.38 1a9xC1 LEU 2204 HG -0.02 0.02 -0.33 -0.04 1.64 1.27 1a9xC1 LEU 2204 HD13 -0.10 -0.00 -0.11 -0.04 0.93 0.67 1a9xC1 LEU 2204 HD23 -0.04 0.01 -0.24 -0.04 0.89 0.57 1a9xC1 LEU 2205 H -0.01 0.89 0.31 -0.55 8.37 9.01 1a9xC1 LEU 2205 HA -0.02 0.14 0.91 -0.75 4.35 4.63 1a9xC1 LEU 2205 HB2 0.00 -0.10 -0.05 -0.04 1.64 1.45 1a9xC1 LEU 2205 HB3 -0.01 0.09 0.14 -0.04 1.64 1.82 1a9xC1 LEU 2205 HG -0.01 -0.01 -0.32 -0.04 1.64 1.26 1a9xC1 LEU 2205 HD13 0.00 0.02 -0.16 -0.04 0.93 0.74 1a9xC1 LEU 2205 HD23 0.01 0.02 -0.06 -0.04 0.89 0.81 1a9xC1 ILE 2206 H -0.00 0.79 0.32 -0.55 8.25 8.82 1a9xC1 ILE 2206 HA 0.03 0.32 1.16 -0.75 4.18 4.93 1a9xC1 ILE 2206 HB 0.05 -0.03 0.10 -0.04 1.89 1.97 1a9xC1 ILE 2206 HG12 0.10 -0.02 -0.12 -0.04 1.49 1.41 1a9xC1 ILE 2206 HG13 0.02 -0.07 -0.74 -0.04 1.21 0.38 1a9xC1 ILE 2206 HG23 0.15 -0.01 -0.22 -0.04 0.93 0.81 1a9xC1 ILE 2206 HD13 0.12 0.01 -0.15 -0.04 0.88 0.81 1a9xC1 ASP 2207 H 0.00 0.69 0.34 -0.55 8.40 8.89 1a9xC1 ASP 2207 HA -0.03 0.26 1.27 -0.75 4.63 5.37 1a9xC1 ASP 2207 HB2 -0.05 -0.11 -0.01 -0.04 2.71 2.51 1a9xC1 ASP 2207 HB3 -0.06 0.06 -0.02 -0.04 2.70 2.65 1a9xC1 GLU 2208 H -0.06 0.67 0.28 -0.55 8.60 8.95 1a9xC1 GLU 2208 HA -0.06 0.21 0.50 -0.75 4.29 4.18 1a9xC1 GLU 2208 HB2 -0.06 0.08 0.18 -0.04 2.09 2.24 1a9xC1 GLU 2208 HB3 -0.06 0.00 0.19 -0.04 1.99 2.09 1a9xC1 GLU 2208 HG2 -0.09 -0.05 0.11 -0.04 2.34 2.27 1a9xC1 GLU 2208 HG3 -0.13 0.08 -0.39 -0.04 2.34 1.86 1a9xC1 SER 2209 H -0.06 0.29 0.18 -0.55 8.46 8.33 1a9xC1 SER 2209 HA -0.09 -0.01 0.43 -0.75 4.49 4.06 1a9xC1 SER 2209 HB2 -0.03 0.14 -0.00 -0.04 3.95 4.01 1a9xC1 SER 2209 HB3 -0.03 0.07 0.10 -0.04 3.93 4.03 1a9xC1 LEU 2210 H -0.17 0.10 0.07 -0.55 8.37 7.82 1a9xC1 LEU 2210 HA -0.64 0.22 0.71 -0.75 4.35 3.89 1a9xC1 LEU 2210 HB2 -0.37 -0.05 -0.05 -0.04 1.64 1.13 1a9xC1 LEU 2210 HB3 -1.13 -0.06 0.08 -0.04 1.64 0.49 1a9xC1 LEU 2210 HG -0.39 0.11 -0.35 -0.04 1.64 0.97 1a9xC1 LEU 2210 HD13 -0.39 -0.02 -0.11 -0.04 0.93 0.37 1a9xC1 LEU 2210 HD23 -1.17 0.04 -0.07 -0.04 0.89 -0.36 1a9xC1 ILE 2211 H -0.07 0.01 -0.07 -0.55 8.25 7.57 1a9xC1 ILE 2211 HA 0.01 0.08 0.19 -0.75 4.18 3.70 1a9xC1 ILE 2211 HB 0.04 0.01 0.05 -0.04 1.89 1.95 1a9xC1 ILE 2211 HG12 0.02 0.02 0.02 -0.04 1.49 1.51 1a9xC1 ILE 2211 HG13 -0.02 -0.16 0.02 -0.04 1.21 1.01 1a9xC1 ILE 2211 HG23 0.07 0.05 -0.09 -0.04 0.93 0.91 1a9xC1 ILE 2211 HD13 0.06 0.02 -0.01 -0.04 0.88 0.90 1a9xC1 GLY 2212 H 0.07 0.47 0.18 -0.55 8.43 8.61 1a9xC1 GLY 2212 HA2 0.06 0.02 0.40 -0.51 4.01 3.98 1a9xC1 GLY 2212 HA3 0.13 0.16 0.67 -0.51 4.01 4.46 1a9xC1 TRP 2213 H 0.33 0.63 -0.11 -0.55 7.97 8.28 1a9xC1 TRP 2213 HA 0.07 0.04 0.58 -0.75 4.62 4.55 1a9xC1 TRP 2213 HB2 0.05 -0.00 0.07 -0.04 3.23 3.31 1a9xC1 TRP 2213 HB3 0.08 0.04 0.02 -0.04 3.23 3.32 1a9xC1 TRP 2213 HD1 0.05 0.06 -0.18 -0.04 7.22 7.10 1a9xC1 TRP 2213 HE1 0.04 0.02 -0.03 -0.04 10.20 10.20 1a9xC1 TRP 2213 HE3 0.07 -0.06 -0.48 -0.04 7.59 7.08 1a9xC1 TRP 2213 HZ2 0.03 0.03 -0.02 -0.04 7.44 7.44 1a9xC1 TRP 2213 HZ3 0.06 0.07 -0.24 -0.04 7.13 6.97 1a9xC1 TRP 2213 HH2 0.04 0.01 -0.09 -0.04 7.19 7.10 1a9xC1 LYS 2214 H 0.20 0.59 0.44 -0.55 8.42 9.10 1a9xC1 LYS 2214 HA 0.09 0.17 0.68 -0.75 4.32 4.51 1a9xC1 LYS 2214 HB2 0.25 -0.07 0.14 -0.04 1.87 2.15 1a9xC1 LYS 2214 HB3 -0.04 -0.01 0.09 -0.04 1.79 1.80 1a9xC1 LYS 2214 HG2 0.12 0.09 0.12 -0.04 1.46 1.74 1a9xC1 LYS 2214 HG3 0.10 0.02 0.16 -0.04 1.46 1.71 1a9xC1 LYS 2214 HD2 0.13 -0.03 0.04 -0.04 1.69 1.79 1a9xC1 LYS 2214 HD3 0.12 -0.06 0.07 -0.04 1.68 1.77 1a9xC1 LYS 2214 HE2 0.08 -0.02 -0.01 -0.04 2.99 3.01 1a9xC1 LYS 2214 HE3 0.29 -0.02 -0.06 -0.04 2.99 3.16 1a9xC1 GLU 2215 H -0.07 0.28 0.27 -0.55 8.60 8.52 1a9xC1 GLU 2215 HA 0.12 0.33 1.16 -0.75 4.29 5.15 1a9xC1 GLU 2215 HB2 0.03 -0.03 -0.06 -0.04 2.09 1.99 1a9xC1 GLU 2215 HB3 -0.03 0.05 0.15 -0.04 1.99 2.12 1a9xC1 GLU 2215 HG2 -0.01 -0.09 -0.20 -0.04 2.34 2.00 1a9xC1 GLU 2215 HG3 0.04 0.18 0.09 -0.04 2.34 2.61 1a9xC1 TYR 2216 H 0.28 0.65 0.36 -0.55 8.29 9.03 1a9xC1 TYR 2216 HA 0.09 0.26 1.21 -0.75 4.56 5.37 1a9xC1 TYR 2216 HB2 0.14 -0.02 -0.04 -0.04 3.06 3.10 1a9xC1 TYR 2216 HB3 0.08 -0.01 0.06 -0.04 2.98 3.07 1a9xC1 TYR 2216 HD2 0.07 0.06 -0.18 -0.04 7.15 7.07 1a9xC1 TYR 2216 HE2 0.03 -0.09 -0.11 -0.04 6.85 6.65 1a9xC1 GLU 2217 H 0.24 0.47 0.41 -0.55 8.60 9.17 1a9xC1 GLU 2217 HA 0.18 0.32 1.13 -0.75 4.29 5.17 1a9xC1 GLU 2217 HB2 0.07 -0.05 -0.19 -0.04 2.09 1.88 1a9xC1 GLU 2217 HB3 0.05 -0.01 -0.03 -0.04 1.99 1.95 1a9xC1 GLU 2217 HG2 0.05 0.05 -0.54 -0.04 2.34 1.86 1a9xC1 GLU 2217 HG3 0.07 0.06 -0.09 -0.04 2.34 2.34 1a9xC1 MET 2218 H 0.14 0.72 0.41 -0.55 8.47 9.20 1a9xC1 MET 2218 HA 0.06 0.26 1.11 -0.75 4.52 5.20 1a9xC1 MET 2218 HB2 0.19 0.03 0.13 -0.04 2.15 2.45 1a9xC1 MET 2218 HB3 0.03 0.05 -0.02 -0.04 2.03 2.06 1a9xC1 MET 2218 HG2 -0.03 0.01 0.08 -0.04 2.63 2.66 1a9xC1 MET 2218 HG3 0.00 -0.09 -0.23 -0.04 2.56 2.21 1a9xC1 MET 2218 HE3 -0.91 -0.01 -0.06 -0.04 2.10 1.08 1a9xC1 GLU 2219 H 0.01 0.65 0.35 -0.55 8.60 9.07 1a9xC1 GLU 2219 HA 0.01 0.15 0.92 -0.75 4.29 4.61 1a9xC1 GLU 2219 HB2 -0.03 -0.04 0.21 -0.04 2.09 2.19 1a9xC1 GLU 2219 HB3 -0.02 0.04 0.01 -0.04 1.99 1.98 1a9xC1 GLU 2219 HG2 0.03 0.01 -0.17 -0.04 2.34 2.17 1a9xC1 GLU 2219 HG3 0.03 -0.00 -0.10 -0.04 2.34 2.22 1a9xC1 VAL 2220 H -0.00 0.67 0.40 -0.55 8.24 8.77 1a9xC1 VAL 2220 HA -0.05 0.25 1.02 -0.75 4.13 4.60 1a9xC1 VAL 2220 HB 0.01 -0.01 -0.06 -0.04 2.12 2.02 1a9xC1 VAL 2220 HG13 -0.00 0.02 -0.19 -0.04 0.97 0.76 1a9xC1 VAL 2220 HG23 0.02 0.02 -0.23 -0.04 0.95 0.72 1a9xC1 VAL 2221 H -0.04 0.60 0.34 -0.55 8.24 8.59 1a9xC1 VAL 2221 HA 0.02 0.24 0.92 -0.75 4.13 4.55 1a9xC1 VAL 2221 HB -0.04 0.01 0.00 -0.04 2.12 2.04 1a9xC1 VAL 2221 HG13 0.09 -0.00 -0.32 -0.04 0.97 0.70 1a9xC1 VAL 2221 HG23 -0.02 -0.05 -0.30 -0.04 0.95 0.54 1a9xC1 ARG 2222 H 0.03 0.63 0.22 -0.55 8.46 8.80 1a9xC1 ARG 2222 HA 0.03 0.26 1.00 -0.75 4.34 4.88 1a9xC1 ARG 2222 HB2 0.02 -0.08 -0.16 -0.04 1.90 1.64 1a9xC1 ARG 2222 HB3 0.03 -0.07 -0.15 -0.04 1.80 1.56 1a9xC1 ARG 2222 HG2 0.02 0.09 -0.24 -0.04 1.67 1.51 1a9xC1 ARG 2222 HG3 0.02 0.01 -0.07 -0.04 1.67 1.59 1a9xC1 ARG 2222 HD2 0.02 -0.10 -0.11 -0.04 3.22 2.98 1a9xC1 ARG 2222 HD3 0.02 0.25 -0.08 -0.04 3.22 3.37 1a9xC1 ASP 2223 H 0.04 0.48 0.22 -0.55 8.40 8.60 1a9xC1 ASP 2223 HA 0.05 0.26 1.03 -0.75 4.63 5.22 1a9xC1 ASP 2223 HB2 0.06 0.16 0.29 -0.04 2.71 3.18 1a9xC1 ASP 2223 HB3 0.07 -0.02 0.05 -0.04 2.70 2.76 1a9xC1 LYS 2224 H 0.04 0.25 0.22 -0.55 8.42 8.38 1a9xC1 LYS 2224 HA 0.02 0.20 0.45 -0.75 4.32 4.24 1a9xC1 LYS 2224 HB2 0.02 -0.01 0.15 -0.04 1.87 1.99 1a9xC1 LYS 2224 HB3 0.02 0.07 0.14 -0.04 1.79 1.98 1a9xC1 LYS 2224 HG2 0.03 -0.06 -0.01 -0.04 1.46 1.39 1a9xC1 LYS 2224 HG3 0.02 -0.04 -0.35 -0.04 1.46 1.04 1a9xC1 LYS 2224 HD2 0.01 -0.07 -0.01 -0.04 1.69 1.58 1a9xC1 LYS 2224 HD3 0.01 -0.01 0.02 -0.04 1.68 1.65 1a9xC1 LYS 2224 HE2 -0.00 0.58 0.08 -0.04 2.99 3.61 1a9xC1 LYS 2224 HE3 0.02 -0.20 0.02 -0.04 2.99 2.78 1a9xC1 ASN 2225 H 0.04 -0.07 -0.41 -0.55 8.53 7.54 1a9xC1 ASN 2225 HA 0.02 0.27 0.82 -0.75 4.76 5.11 1a9xC1 ASN 2225 HB2 0.04 -0.14 0.06 -0.04 2.88 2.80 1a9xC1 ASN 2225 HB3 0.03 0.03 0.18 -0.04 2.79 2.98 1a9xC1 ASN 2225 HD21 0.03 0.09 -0.00 -0.04 7.03 7.11 1a9xC1 ASN 2225 HD22 0.03 -0.07 0.01 -0.04 7.74 7.68 1a9xC1 ASP 2226 H 0.03 0.58 -0.23 -0.55 8.40 8.23 1a9xC1 ASP 2226 HA 0.02 0.13 0.26 -0.75 4.63 4.29 1a9xC1 ASP 2226 HB2 0.02 0.01 -0.25 -0.04 2.71 2.44 1a9xC1 ASP 2226 HB3 0.02 0.09 0.18 -0.04 2.70 2.95 1a9xC1 ASN 2227 H 0.03 -0.11 -0.39 -0.55 8.53 7.52 1a9xC1 ASN 2227 HA 0.03 0.11 0.39 -0.75 4.76 4.54 1a9xC1 ASN 2227 HB2 0.05 -0.18 0.08 -0.04 2.88 2.79 1a9xC1 ASN 2227 HB3 0.05 0.05 -0.06 -0.04 2.79 2.80 1a9xC1 ASN 2227 HD21 0.04 0.11 -0.01 -0.04 7.03 7.13 1a9xC1 ASN 2227 HD22 0.06 -0.21 0.02 -0.04 7.74 7.56 1a9xC1 CYS 2228 H 0.02 0.21 0.21 -0.55 8.50 8.40 1a9xC1 CYS 2228 HA 0.02 0.27 0.99 -0.75 4.58 5.10 1a9xC1 CYS 2228 HB2 0.02 0.13 -0.23 -0.04 2.97 2.85 1a9xC1 CYS 2228 HB3 0.01 -0.05 0.06 -0.04 2.97 2.96 1a9xC1 ILE 2229 H -0.01 0.62 0.31 -0.55 8.25 8.61 1a9xC1 ILE 2229 HA -0.02 0.21 0.97 -0.75 4.18 4.58 1a9xC1 ILE 2229 HB -0.13 0.12 -0.25 -0.04 1.89 1.58 1a9xC1 ILE 2229 HG12 -0.03 0.08 0.03 -0.04 1.49 1.52 1a9xC1 ILE 2229 HG13 -0.17 -0.16 -0.24 -0.04 1.21 0.61 1a9xC1 ILE 2229 HG23 0.01 -0.01 -0.37 -0.04 0.93 0.52 1a9xC1 ILE 2229 HD13 -0.12 0.03 -0.08 -0.04 0.88 0.68 1a9xC1 ILE 2230 H -0.06 0.21 0.11 -0.55 8.25 7.96 1a9xC1 ILE 2230 HA -0.06 0.13 0.78 -0.75 4.18 4.27 1a9xC1 ILE 2230 HB 0.00 0.03 0.14 -0.04 1.89 2.02 1a9xC1 ILE 2230 HG12 -0.02 -0.01 -0.04 -0.04 1.49 1.38 1a9xC1 ILE 2230 HG13 -0.04 -0.02 -0.01 -0.04 1.21 1.10 1a9xC1 ILE 2230 HG23 -0.00 -0.03 -0.13 -0.04 0.93 0.73 1a9xC1 ILE 2230 HD13 -0.03 0.02 -0.13 -0.04 0.88 0.69 1a9xC1 VAL 2231 H -0.16 0.55 0.35 -0.55 8.24 8.43 1a9xC1 VAL 2231 HA -0.44 0.17 0.71 -0.75 4.13 3.82 1a9xC1 VAL 2231 HB -0.21 -0.05 0.03 -0.04 2.12 1.85 1a9xC1 VAL 2231 HG13 -0.35 -0.02 -0.10 -0.04 0.97 0.46 1a9xC1 VAL 2231 HG23 -0.73 0.02 -0.11 -0.04 0.95 0.08 1a9xC1 CYS 2232 H -0.06 0.30 0.22 -0.55 8.50 8.41 1a9xC1 CYS 2232 HA -0.00 0.15 0.52 -0.75 4.58 4.49 1a9xC1 CYS 2232 HB2 -0.02 0.16 -0.45 -0.04 2.97 2.62 1a9xC1 CYS 2232 HB3 0.01 -0.15 -0.07 -0.04 2.97 2.71 1a9xC1 SER 2233 H 0.07 0.25 0.28 -0.55 8.46 8.51 1a9xC1 SER 2233 HA 0.08 0.24 1.05 -0.75 4.49 5.10 1a9xC1 SER 2233 HB2 0.17 -0.01 0.13 -0.04 3.95 4.20 1a9xC1 SER 2233 HB3 0.15 0.06 0.07 -0.04 3.93 4.17 1a9xC1 ILE 2234 H 0.17 0.44 0.37 -0.55 8.25 8.68 1a9xC1 ILE 2234 HA 0.10 0.33 0.97 -0.75 4.18 4.82 1a9xC1 ILE 2234 HB 0.09 -0.00 0.06 -0.04 1.89 2.00 1a9xC1 ILE 2234 HG12 0.06 0.07 -0.20 -0.04 1.49 1.38 1a9xC1 ILE 2234 HG13 0.06 -0.03 -0.68 -0.04 1.21 0.52 1a9xC1 ILE 2234 HG23 0.05 -0.01 -0.30 -0.04 0.93 0.63 1a9xC1 ILE 2234 HD13 0.04 -0.03 -0.18 -0.04 0.88 0.67 1a9xC1 GLU 2235 H 0.11 0.79 0.29 -0.55 8.60 9.25 1a9xC1 GLU 2235 HA -0.23 0.21 1.19 -0.75 4.29 4.71 1a9xC1 GLU 2235 HB2 0.22 -0.13 0.06 -0.04 2.09 2.19 1a9xC1 GLU 2235 HB3 0.14 0.10 0.16 -0.04 1.99 2.34 1a9xC1 GLU 2235 HG2 0.26 0.04 -0.20 -0.04 2.34 2.40 1a9xC1 GLU 2235 HG3 -0.25 0.19 0.02 -0.04 2.34 2.25 1a9xC1 ASN 2236 H -0.20 0.72 0.38 -0.55 8.53 8.88 1a9xC1 ASN 2236 HA 0.01 -0.01 0.76 -0.75 4.76 4.76 1a9xC1 ASN 2236 HB2 -0.07 -0.03 0.25 -0.04 2.88 2.99 1a9xC1 ASN 2236 HB3 0.00 0.28 -0.00 -0.04 2.79 3.03 1a9xC1 ASN 2236 HD21 -0.00 -0.11 -0.17 -0.04 7.03 6.71 1a9xC1 ASN 2236 HD22 -0.02 -0.12 -0.19 -0.04 7.74 7.37 1a9xC1 PHE 2237 H 0.07 0.65 0.36 -0.55 8.34 8.86 1a9xC1 PHE 2237 HA -0.68 -0.05 0.45 -0.75 4.62 3.60 1a9xC1 PHE 2237 HB2 -0.44 -0.03 -0.02 -0.04 3.15 2.62 1a9xC1 PHE 2237 HB3 -0.20 0.02 0.25 -0.04 3.06 3.09 1a9xC1 PHE 2237 HD2 -0.63 -0.00 -0.10 -0.04 7.28 6.51 1a9xC1 PHE 2237 HE2 -0.00 -0.01 -0.10 -0.04 7.38 7.22 1a9xC1 PHE 2237 HZ 0.02 -0.01 -0.10 -0.04 7.32 7.20 1a9xC1 ASP 2238 H 0.19 0.11 0.16 -0.55 8.40 8.31 1a9xC1 ASP 2238 HA 0.02 0.06 0.53 -0.75 4.63 4.49 1a9xC1 ASP 2238 HB2 0.10 -0.05 0.12 -0.04 2.71 2.84 1a9xC1 ASP 2238 HB3 0.09 0.12 0.04 -0.04 2.70 2.91 1a9xC1 ALA 2239 H -0.01 0.16 0.10 -0.55 8.40 8.11 1a9xC1 ALA 2239 HA 0.02 0.03 0.56 -0.75 4.34 4.21 1a9xC1 ALA 2239 HB3 0.02 0.07 0.09 -0.04 1.41 1.55 1a9xC1 MET 2240 H 0.09 0.68 0.14 -0.55 8.47 8.84 1a9xC1 MET 2240 HA 0.03 -0.01 0.31 -0.75 4.52 4.09 1a9xC1 MET 2240 HB2 0.09 0.00 0.11 -0.04 2.15 2.31 1a9xC1 MET 2240 HB3 0.00 -0.08 -0.20 -0.04 2.03 1.71 1a9xC1 MET 2240 HG2 0.15 0.11 -0.36 -0.04 2.63 2.49 1a9xC1 MET 2240 HG3 0.14 -0.02 -0.11 -0.04 2.56 2.54 1a9xC1 MET 2240 HE3 -0.05 -0.01 -0.13 -0.04 2.10 1.87 1a9xC1 GLY 2241 H 0.01 0.11 -0.02 -0.55 8.43 7.99 1a9xC1 GLY 2241 HA2 0.02 -0.07 0.23 -0.51 4.01 3.68 1a9xC1 GLY 2241 HA3 0.04 0.23 0.85 -0.51 4.01 4.61 1a9xC1 ILE 2242 H 0.04 0.40 -0.24 -0.55 8.25 7.90 1a9xC1 ILE 2242 HA 0.10 0.19 0.58 -0.75 4.18 4.29 1a9xC1 ILE 2242 HB 0.07 0.06 -0.10 -0.04 1.89 1.88 1a9xC1 ILE 2242 HG12 0.08 0.12 -0.28 -0.04 1.49 1.37 1a9xC1 ILE 2242 HG13 0.06 -0.00 -0.47 -0.04 1.21 0.75 1a9xC1 ILE 2242 HG23 0.14 -0.00 -0.29 -0.04 0.93 0.73 1a9xC1 ILE 2242 HD13 0.07 -0.02 -0.06 -0.04 0.88 0.82 1a9xC1 HIS 2243 H 0.19 0.56 -0.08 -0.55 8.41 8.53 1a9xC1 HIS 2243 HA 0.03 0.02 0.30 -0.75 4.63 4.22 1a9xC1 HIS 2243 HB2 0.04 0.19 -0.15 -0.04 3.26 3.30 1a9xC1 HIS 2243 HB3 0.06 -0.11 -0.13 -0.04 3.20 2.98 1a9xC1 HIS 2243 HD2 -0.00 0.42 -0.00 -0.04 6.97 7.34 1a9xC1 HIS 2243 HE1 0.00 -0.01 0.03 -0.04 7.75 7.73 1a9xC1 THR 2244 H -0.43 0.15 0.11 -0.55 8.28 7.55 1a9xC1 THR 2244 HA 0.00 0.17 0.27 -0.75 4.39 4.08 1a9xC1 THR 2244 HB -0.01 0.02 -0.06 -0.04 4.32 4.23 1a9xC1 THR 2244 HG23 -0.11 0.03 -0.02 -0.04 1.22 1.08 1a9xC1 GLY 2245 H 0.83 0.03 -0.32 -0.55 8.43 8.43 1a9xC1 GLY 2245 HA2 0.09 0.13 0.39 -0.51 4.01 4.12 1a9xC1 GLY 2245 HA3 0.16 -0.07 0.26 -0.51 4.01 3.85 1a9xC1 ASP 2246 H 0.23 0.52 -0.50 -0.55 8.40 8.10 1a9xC1 ASP 2246 HA 0.13 0.12 0.91 -0.75 4.63 5.03 1a9xC1 ASP 2246 HB2 0.24 0.05 -0.03 -0.04 2.71 2.93 1a9xC1 ASP 2246 HB3 0.36 0.03 0.07 -0.04 2.70 3.12 1a9xC1 SER 2247 H 0.12 0.25 -0.36 -0.55 8.46 7.92 1a9xC1 SER 2247 HA 0.14 0.09 0.78 -0.75 4.49 4.73 1a9xC1 SER 2247 HB2 0.06 0.02 -0.04 -0.04 3.95 3.96 1a9xC1 SER 2247 HB3 0.07 0.00 -0.05 -0.04 3.93 3.92 1a9xC1 ILE 2248 H 0.08 0.03 0.24 -0.55 8.25 8.05 1a9xC1 ILE 2248 HA -0.05 0.37 0.84 -0.75 4.18 4.58 1a9xC1 ILE 2248 HB -0.22 -0.15 0.24 -0.04 1.89 1.72 1a9xC1 ILE 2248 HG12 -0.21 0.06 0.15 -0.04 1.49 1.45 1a9xC1 ILE 2248 HG13 -0.09 0.00 0.08 -0.04 1.21 1.16 1a9xC1 ILE 2248 HG23 -0.43 0.01 -0.05 -0.04 0.93 0.42 1a9xC1 ILE 2248 HD13 -0.52 -0.01 0.02 -0.04 0.88 0.33 1a9xC1 THR 2249 H -0.02 0.51 0.43 -0.55 8.28 8.66 1a9xC1 THR 2249 HA 0.03 0.06 1.15 -0.75 4.39 4.87 1a9xC1 THR 2249 HB 0.03 0.00 -0.09 -0.04 4.32 4.23 1a9xC1 THR 2249 HG23 0.03 0.04 -0.28 -0.04 1.22 0.97 1a9xC1 VAL 2250 H 0.08 0.70 0.37 -0.55 8.24 8.84 1a9xC1 VAL 2250 HA 0.08 0.32 1.14 -0.75 4.13 4.91 1a9xC1 VAL 2250 HB 0.19 0.17 0.14 -0.04 2.12 2.57 1a9xC1 VAL 2250 HG13 0.18 -0.03 -0.26 -0.04 0.97 0.82 1a9xC1 VAL 2250 HG23 0.30 0.04 -0.13 -0.04 0.95 1.12 1a9xC1 ALA 2251 H 0.08 0.60 0.40 -0.55 8.40 8.93 1a9xC1 ALA 2251 HA 0.07 0.11 0.97 -0.75 4.34 4.73 1a9xC1 ALA 2251 HB3 0.05 -0.02 0.08 -0.04 1.41 1.48 1a9xC1 PRO 2252 HA 0.05 0.28 0.46 -0.51 4.44 4.72 1a9xC1 PRO 2252 HB2 -0.02 0.03 0.12 -0.04 2.28 2.36 1a9xC1 PRO 2252 HB3 -0.02 0.01 0.17 -0.04 2.02 2.14 1a9xC1 PRO 2252 HG2 -0.05 0.10 -0.03 -0.04 2.03 2.00 1a9xC1 PRO 2252 HG3 -0.08 0.06 0.12 -0.04 2.03 2.09 1a9xC1 PRO 2252 HD2 0.01 0.07 0.53 -0.04 3.68 4.24 1a9xC1 PRO 2252 HD3 -0.05 0.14 0.11 -0.04 3.65 3.81 1a9xC1 ALA 2253 H 0.12 0.07 0.02 -0.55 8.40 8.06 1a9xC1 ALA 2253 HA 0.18 0.01 0.30 -0.75 4.34 4.08 1a9xC1 ALA 2253 HB3 0.23 -0.00 -0.02 -0.04 1.41 1.58 1a9xC1 GLN 2254 H -0.02 -0.01 0.16 -0.55 8.47 8.05 1a9xC1 GLN 2254 HA -0.34 0.34 0.96 -0.75 4.36 4.57 1a9xC1 GLN 2254 HB2 -0.73 -0.09 0.03 -0.04 2.15 1.33 1a9xC1 GLN 2254 HB3 -1.75 -0.01 -0.06 -0.04 2.02 0.16 1a9xC1 GLN 2254 HG2 -0.09 0.08 -0.12 -0.04 2.40 2.22 1a9xC1 GLN 2254 HG3 -0.43 -0.06 -0.09 -0.04 2.39 1.77 1a9xC1 GLN 2254 HE21 0.06 0.02 -0.12 -0.04 6.97 6.88 1a9xC1 GLN 2254 HE22 0.09 0.05 -0.27 -0.04 7.69 7.52 1a9xC1 THR 2255 H -0.10 -0.00 0.06 -0.55 8.28 7.69 1a9xC1 THR 2255 HA -0.30 0.41 1.18 -0.75 4.39 4.93 1a9xC1 THR 2255 HB -0.10 0.03 0.20 -0.04 4.32 4.41 1a9xC1 THR 2255 HG23 -0.43 -0.01 -0.10 -0.04 1.22 0.63 1a9xC1 LEU 2256 H -0.08 0.18 -0.35 -0.55 8.37 7.58 1a9xC1 LEU 2256 HA -0.07 0.21 0.96 -0.75 4.35 4.70 1a9xC1 LEU 2256 HB2 -0.02 0.00 -0.05 -0.04 1.64 1.53 1a9xC1 LEU 2256 HB3 -0.09 0.02 -0.12 -0.04 1.64 1.41 1a9xC1 LEU 2256 HG -0.23 -0.13 -0.21 -0.04 1.64 1.02 1a9xC1 LEU 2256 HD13 -0.61 0.01 -0.15 -0.04 0.93 0.14 1a9xC1 LEU 2256 HD23 -0.25 0.05 -0.14 -0.04 0.89 0.51 1a9xC1 THR 2257 H -0.06 0.13 0.12 -0.55 8.28 7.91 1a9xC1 THR 2257 HA -0.06 0.19 0.46 -0.75 4.39 4.23 1a9xC1 THR 2257 HB -0.04 -0.04 0.14 -0.04 4.32 4.34 1a9xC1 THR 2257 HG23 -0.05 0.05 0.04 -0.04 1.22 1.23 1a9xC1 ASP 2258 H -0.05 0.23 0.16 -0.55 8.40 8.19 1a9xC1 ASP 2258 HA -0.03 0.13 0.35 -0.75 4.63 4.33 1a9xC1 ASP 2258 HB2 -0.07 0.07 0.13 -0.04 2.71 2.81 1a9xC1 ASP 2258 HB3 -0.04 0.00 0.07 -0.04 2.70 2.70 1a9xC1 LYS 2259 H -0.03 0.08 -0.20 -0.55 8.42 7.72 1a9xC1 LYS 2259 HA -0.02 0.14 0.41 -0.75 4.32 4.10 1a9xC1 LYS 2259 HB2 -0.03 -0.07 0.04 -0.04 1.87 1.77 1a9xC1 LYS 2259 HB3 -0.03 0.09 -0.06 -0.04 1.79 1.74 1a9xC1 LYS 2259 HG2 -0.02 0.07 0.03 -0.04 1.46 1.49 1a9xC1 LYS 2259 HG3 -0.02 -0.05 0.03 -0.04 1.46 1.37 1a9xC1 LYS 2259 HD2 -0.03 -0.03 0.01 -0.04 1.69 1.60 1a9xC1 LYS 2259 HD3 -0.02 0.04 -0.01 -0.04 1.68 1.65 1a9xC1 LYS 2259 HE2 -0.02 0.02 0.00 -0.04 2.99 2.95 1a9xC1 LYS 2259 HE3 -0.02 0.03 -0.00 -0.04 2.99 2.96 1a9xC1 GLU 2260 H -0.04 0.07 -0.35 -0.55 8.60 7.73 1a9xC1 GLU 2260 HA -0.08 0.13 0.42 -0.75 4.29 4.00 1a9xC1 GLU 2260 HB2 -0.07 0.03 0.10 -0.04 2.09 2.11 1a9xC1 GLU 2260 HB3 -0.14 0.03 -0.08 -0.04 1.99 1.76 1a9xC1 GLU 2260 HG2 -0.08 0.12 0.03 -0.04 2.34 2.37 1a9xC1 GLU 2260 HG3 -0.06 -0.06 0.01 -0.04 2.34 2.19 1a9xC1 TYR 2261 H 0.04 0.56 -0.15 -0.55 8.29 8.18 1a9xC1 TYR 2261 HA -0.21 0.01 0.38 -0.75 4.56 3.99 1a9xC1 TYR 2261 HB2 -0.13 0.05 -0.06 -0.04 3.06 2.87 1a9xC1 TYR 2261 HB3 -0.10 0.10 0.05 -0.04 2.98 2.98 1a9xC1 TYR 2261 HD2 -0.11 0.00 -0.18 -0.04 7.15 6.82 1a9xC1 TYR 2261 HE2 -0.06 -0.03 -0.03 -0.04 6.85 6.69 1a9xC1 GLN 2262 H 0.04 0.54 -0.25 -0.55 8.47 8.26 1a9xC1 GLN 2262 HA -0.00 0.02 0.47 -0.75 4.36 4.10 1a9xC1 GLN 2262 HB2 -0.01 0.10 0.11 -0.04 2.15 2.31 1a9xC1 GLN 2262 HB3 -0.00 -0.01 0.03 -0.04 2.02 2.00 1a9xC1 GLN 2262 HG2 0.06 0.31 0.10 -0.04 2.40 2.83 1a9xC1 GLN 2262 HG3 0.02 -0.03 0.00 -0.04 2.39 2.35 1a9xC1 GLN 2262 HE21 0.10 0.03 -0.03 -0.04 6.97 7.02 1a9xC1 GLN 2262 HE22 0.05 -0.02 -0.01 -0.04 7.69 7.66 1a9xC1 ILE 2263 H -0.09 0.36 -0.23 -0.55 8.25 7.74 1a9xC1 ILE 2263 HA -0.08 0.07 0.45 -0.75 4.18 3.87 1a9xC1 ILE 2263 HB -0.13 0.12 0.17 -0.04 1.89 2.01 1a9xC1 ILE 2263 HG12 -0.05 -0.00 0.05 -0.04 1.49 1.45 1a9xC1 ILE 2263 HG13 -0.06 0.07 0.09 -0.04 1.21 1.27 1a9xC1 ILE 2263 HG23 -0.09 -0.00 -0.15 -0.04 0.93 0.64 1a9xC1 ILE 2263 HD13 -0.05 -0.02 -0.00 -0.04 0.88 0.76 1a9xC1 MET 2264 H -0.29 0.38 -0.30 -0.55 8.47 7.71 1a9xC1 MET 2264 HA -0.57 0.04 0.39 -0.75 4.52 3.63 1a9xC1 MET 2264 HB2 -0.52 0.07 0.06 -0.04 2.15 1.72 1a9xC1 MET 2264 HB3 -0.59 0.12 0.06 -0.04 2.03 1.58 1a9xC1 MET 2264 HG2 -0.91 -0.03 -0.15 -0.04 2.63 1.51 1a9xC1 MET 2264 HG3 -1.49 0.00 -0.07 -0.04 2.56 0.96 1a9xC1 MET 2264 HE3 -0.58 0.00 -0.14 -0.04 2.10 1.34 1a9xC1 ARG 2265 H -0.34 0.49 -0.12 -0.55 8.46 7.93 1a9xC1 ARG 2265 HA -0.21 -0.02 0.39 -0.75 4.34 3.75 1a9xC1 ARG 2265 HB2 -0.34 0.01 0.09 -0.04 1.90 1.63 1a9xC1 ARG 2265 HB3 -0.12 0.04 0.21 -0.04 1.80 1.88 1a9xC1 ARG 2265 HG2 -0.04 0.03 -0.29 -0.04 1.67 1.34 1a9xC1 ARG 2265 HG3 -0.06 -0.06 -0.02 -0.04 1.67 1.48 1a9xC1 ARG 2265 HD2 0.12 -0.02 -0.02 -0.04 3.22 3.26 1a9xC1 ARG 2265 HD3 0.03 0.01 -0.02 -0.04 3.22 3.20 1a9xC1 ASN 2266 H -0.10 0.73 -0.10 -0.55 8.53 8.52 1a9xC1 ASN 2266 HA -0.02 0.02 0.35 -0.75 4.76 4.35 1a9xC1 ASN 2266 HB2 -0.05 0.16 0.14 -0.04 2.88 3.08 1a9xC1 ASN 2266 HB3 -0.02 -0.02 -0.04 -0.04 2.79 2.67 1a9xC1 ASN 2266 HD21 -0.02 -0.07 -0.04 -0.04 7.03 6.86 1a9xC1 ASN 2266 HD22 -0.03 -0.01 -0.02 -0.04 7.74 7.64 1a9xC1 ALA 2267 H -0.07 0.43 -0.35 -0.55 8.40 7.85 1a9xC1 ALA 2267 HA 0.05 0.06 0.45 -0.75 4.34 4.14 1a9xC1 ALA 2267 HB3 0.08 0.02 0.05 -0.04 1.41 1.52 1a9xC1 SER 2268 H 0.05 0.62 -0.16 -0.55 8.46 8.43 1a9xC1 SER 2268 HA 0.23 -0.01 0.42 -0.75 4.49 4.38 1a9xC1 SER 2268 HB2 0.03 0.16 0.11 -0.04 3.95 4.21 1a9xC1 SER 2268 HB3 0.09 -0.08 -0.06 -0.04 3.93 3.83 1a9xC1 MET 2269 H 0.02 0.46 -0.27 -0.55 8.47 8.14 1a9xC1 MET 2269 HA 0.02 0.02 0.45 -0.75 4.52 4.26 1a9xC1 MET 2269 HB2 0.01 0.11 0.04 -0.04 2.15 2.26 1a9xC1 MET 2269 HB3 0.01 0.00 -0.00 -0.04 2.03 2.00 1a9xC1 MET 2269 HG2 0.00 -0.09 -0.16 -0.04 2.63 2.34 1a9xC1 MET 2269 HG3 -0.01 0.29 0.01 -0.04 2.56 2.81 1a9xC1 MET 2269 HE3 -0.01 -0.02 -0.28 -0.04 2.10 1.75 1a9xC1 ALA 2270 H 0.03 0.40 -0.25 -0.55 8.40 8.03 1a9xC1 ALA 2270 HA 0.01 0.04 0.45 -0.75 4.34 4.08 1a9xC1 ALA 2270 HB3 0.01 0.04 0.12 -0.04 1.41 1.54 1a9xC1 VAL 2271 H 0.05 0.49 -0.30 -0.55 8.24 7.93 1a9xC1 VAL 2271 HA -0.01 0.05 0.34 -0.75 4.13 3.75 1a9xC1 VAL 2271 HB 0.06 0.10 0.10 -0.04 2.12 2.34 1a9xC1 VAL 2271 HG13 0.11 -0.02 -0.22 -0.04 0.97 0.80 1a9xC1 VAL 2271 HG23 0.04 0.07 -0.03 -0.04 0.95 0.99 1a9xC1 LEU 2272 H 0.03 0.41 -0.23 -0.55 8.37 8.03 1a9xC1 LEU 2272 HA 0.03 -0.04 0.31 -0.75 4.35 3.89 1a9xC1 LEU 2272 HB2 0.02 0.08 0.07 -0.04 1.64 1.78 1a9xC1 LEU 2272 HB3 0.02 0.15 -0.15 -0.04 1.64 1.62 1a9xC1 LEU 2272 HG 0.02 -0.07 -0.09 -0.04 1.64 1.47 1a9xC1 LEU 2272 HD13 0.03 -0.01 -0.14 -0.04 0.93 0.77 1a9xC1 LEU 2272 HD23 0.02 0.01 -0.24 -0.04 0.89 0.63 1a9xC1 ARG 2273 H 0.01 0.48 -0.33 -0.55 8.46 8.07 1a9xC1 ARG 2273 HA 0.01 0.06 0.34 -0.75 4.34 3.99 1a9xC1 ARG 2273 HB2 0.00 0.10 0.12 -0.04 1.90 2.08 1a9xC1 ARG 2273 HB3 0.00 -0.04 -0.06 -0.04 1.80 1.66 1a9xC1 ARG 2273 HG2 0.01 -0.03 -0.02 -0.04 1.67 1.59 1a9xC1 ARG 2273 HG3 0.01 0.05 0.03 -0.04 1.67 1.72 1a9xC1 ARG 2273 HD2 0.01 -0.01 -0.12 -0.04 3.22 3.05 1a9xC1 ARG 2273 HD3 0.01 -0.04 -0.04 -0.04 3.22 3.11 1a9xC1 GLU 2274 H -0.01 0.58 -0.14 -0.55 8.60 8.49 1a9xC1 GLU 2274 HA -0.02 0.04 0.44 -0.75 4.29 4.00 1a9xC1 GLU 2274 HB2 -0.04 -0.00 0.07 -0.04 2.09 2.08 1a9xC1 GLU 2274 HB3 -0.06 0.02 0.10 -0.04 1.99 2.01 1a9xC1 GLU 2274 HG2 -0.09 0.05 -0.04 -0.04 2.34 2.22 1a9xC1 GLU 2274 HG3 -0.08 -0.02 -0.29 -0.04 2.34 1.92 1a9xC1 ILE 2275 H -0.01 0.63 -0.08 -0.55 8.25 8.24 1a9xC1 ILE 2275 HA 0.00 0.01 0.35 -0.75 4.18 3.78 1a9xC1 ILE 2275 HB 0.04 0.14 0.09 -0.04 1.89 2.12 1a9xC1 ILE 2275 HG12 0.19 -0.08 -0.10 -0.04 1.49 1.45 1a9xC1 ILE 2275 HG13 0.10 -0.03 -0.24 -0.04 1.21 0.99 1a9xC1 ILE 2275 HG23 0.04 -0.03 -0.21 -0.04 0.93 0.68 1a9xC1 ILE 2275 HD13 -0.09 0.03 -0.11 -0.04 0.88 0.67 1a9xC1 GLY 2276 H 0.01 0.47 -0.42 -0.55 8.43 7.94 1a9xC1 GLY 2276 HA2 0.01 0.10 0.16 -0.51 4.01 3.77 1a9xC1 GLY 2276 HA3 0.01 0.12 1.00 -0.51 4.01 4.64 1a9xC1 VAL 2277 H 0.02 0.39 0.05 -0.55 8.24 8.15 1a9xC1 VAL 2277 HA 0.02 0.02 0.66 -0.75 4.13 4.08 1a9xC1 VAL 2277 HB 0.02 -0.02 0.03 -0.04 2.12 2.11 1a9xC1 VAL 2277 HG13 0.02 0.02 -0.31 -0.04 0.97 0.66 1a9xC1 VAL 2277 HG23 0.02 -0.01 -0.14 -0.04 0.95 0.77 1a9xC1 GLU 2278 H 0.02 0.13 0.13 -0.55 8.60 8.34 1a9xC1 GLU 2278 HA 0.02 0.25 0.84 -0.75 4.29 4.65 1a9xC1 GLU 2278 HB2 0.01 0.00 -0.03 -0.04 2.09 2.04 1a9xC1 GLU 2278 HB3 0.02 -0.01 -0.14 -0.04 1.99 1.81 1a9xC1 GLU 2278 HG2 0.01 0.01 -0.06 -0.04 2.34 2.26 1a9xC1 GLU 2278 HG3 0.01 0.03 -0.32 -0.04 2.34 2.02 1a9xC1 THR 2279 H 0.02 0.08 -0.04 -0.55 8.28 7.79 1a9xC1 THR 2279 HA 0.04 0.25 0.70 -0.75 4.39 4.62 1a9xC1 THR 2279 HB 0.03 0.10 -0.04 -0.04 4.32 4.37 1a9xC1 THR 2279 HG23 0.02 -0.05 -0.15 -0.04 1.22 1.01 1a9xC1 GLY 2280 H 0.04 0.46 0.15 -0.55 8.43 8.52 1a9xC1 GLY 2280 HA2 0.05 0.01 0.37 -0.51 4.01 3.93 1a9xC1 GLY 2280 HA3 0.04 0.08 0.45 -0.51 4.01 4.07 1a9xC1 GLY 2281 H 0.04 0.06 0.09 -0.55 8.43 8.08 1a9xC1 GLY 2281 HA2 0.03 0.37 1.02 -0.51 4.01 4.92 1a9xC1 GLY 2281 HA3 0.04 -0.11 0.30 -0.51 4.01 3.74 1a9xC1 SER 2282 H 0.02 0.64 0.40 -0.55 8.46 8.97 1a9xC1 SER 2282 HA 0.02 0.20 0.59 -0.75 4.49 4.55 1a9xC1 SER 2282 HB2 0.02 -0.02 -0.14 -0.04 3.95 3.77 1a9xC1 SER 2282 HB3 0.01 -0.00 0.01 -0.04 3.93 3.90 1a9xC1 ASN 2283 H 0.00 0.42 0.34 -0.55 8.53 8.74 1a9xC1 ASN 2283 HA 0.01 0.26 0.87 -0.75 4.76 5.15 1a9xC1 ASN 2283 HB2 0.02 -0.08 -0.01 -0.04 2.88 2.77 1a9xC1 ASN 2283 HB3 0.00 0.02 0.22 -0.04 2.79 2.99 1a9xC1 ASN 2283 HD21 0.01 -0.01 -0.12 -0.04 7.03 6.87 1a9xC1 ASN 2283 HD22 0.02 -0.11 -0.13 -0.04 7.74 7.49 1a9xC1 VAL 2284 H 0.02 0.62 0.38 -0.55 8.24 8.71 1a9xC1 VAL 2284 HA -0.14 0.24 1.04 -0.75 4.13 4.52 1a9xC1 VAL 2284 HB 0.08 -0.06 0.16 -0.04 2.12 2.25 1a9xC1 VAL 2284 HG13 -0.41 0.03 -0.00 -0.04 0.97 0.55 1a9xC1 VAL 2284 HG23 0.02 0.03 -0.14 -0.04 0.95 0.82 1a9xC1 GLN 2285 H -0.28 0.59 0.35 -0.55 8.47 8.58 1a9xC1 GLN 2285 HA -0.00 0.26 1.25 -0.75 4.36 5.11 1a9xC1 GLN 2285 HB2 -0.16 -0.07 0.12 -0.04 2.15 2.01 1a9xC1 GLN 2285 HB3 -0.06 0.07 0.06 -0.04 2.02 2.05 1a9xC1 GLN 2285 HG2 -0.03 0.02 -0.06 -0.04 2.40 2.29 1a9xC1 GLN 2285 HG3 -0.08 -0.08 -0.25 -0.04 2.39 1.95 1a9xC1 GLN 2285 HE21 -0.12 -0.01 -0.08 -0.04 6.97 6.72 1a9xC1 GLN 2285 HE22 -0.07 -0.05 -0.12 -0.04 7.69 7.41 1a9xC1 PHE 2286 H 0.24 0.68 0.44 -0.55 8.34 9.15 1a9xC1 PHE 2286 HA 0.08 0.25 1.14 -0.75 4.62 5.34 1a9xC1 PHE 2286 HB2 0.13 -0.13 -0.07 -0.04 3.15 3.04 1a9xC1 PHE 2286 HB3 0.10 0.10 0.02 -0.04 3.06 3.24 1a9xC1 PHE 2286 HD2 0.04 0.02 -0.28 -0.04 7.28 7.02 1a9xC1 PHE 2286 HE2 -0.00 0.01 -0.15 -0.04 7.38 7.20 1a9xC1 PHE 2286 HZ -0.01 0.01 -0.24 -0.04 7.32 7.04 1a9xC1 ALA 2287 H 0.31 0.75 0.39 -0.55 8.40 9.31 1a9xC1 ALA 2287 HA 0.29 0.32 1.06 -0.75 4.34 5.26 1a9xC1 ALA 2287 HB3 0.21 -0.02 0.00 -0.04 1.41 1.57 1a9xC1 VAL 2288 H 0.39 0.63 0.27 -0.55 8.24 8.99 1a9xC1 VAL 2288 HA 0.18 0.40 0.88 -0.75 4.13 4.84 1a9xC1 VAL 2288 HB 0.32 -0.08 0.01 -0.04 2.12 2.34 1a9xC1 VAL 2288 HG13 -0.02 -0.01 -0.30 -0.04 0.97 0.60 1a9xC1 VAL 2288 HG23 0.03 -0.00 -0.27 -0.04 0.95 0.67 1a9xC1 ASN 2289 H -0.41 0.60 0.12 -0.55 8.53 8.29 1a9xC1 ASN 2289 HA -1.41 0.20 0.76 -0.75 4.76 3.56 1a9xC1 ASN 2289 HB2 -2.28 0.15 0.12 -0.04 2.88 0.83 1a9xC1 ASN 2289 HB3 -0.65 -0.22 0.20 -0.04 2.79 2.08 1a9xC1 ASN 2289 HD21 -0.21 0.07 0.00 -0.04 7.03 6.85 1a9xC1 ASN 2289 HD22 -0.43 0.06 0.01 -0.04 7.74 7.34 1a9xC1 PRO 2290 HA -0.07 0.07 0.35 -0.51 4.44 4.27 1a9xC1 PRO 2290 HB2 -0.01 0.03 0.05 -0.04 2.28 2.31 1a9xC1 PRO 2290 HB3 0.03 0.00 0.15 -0.04 2.02 2.16 1a9xC1 PRO 2290 HG2 0.02 0.05 0.10 -0.04 2.03 2.16 1a9xC1 PRO 2290 HG3 0.09 0.13 0.16 -0.04 2.03 2.37 1a9xC1 PRO 2290 HD2 -0.38 0.10 0.33 -0.04 3.68 3.69 1a9xC1 PRO 2290 HD3 -0.11 0.22 0.51 -0.04 3.65 4.23 1a9xC1 LYS 2291 H -0.23 0.07 -0.38 -0.55 8.42 7.32 1a9xC1 LYS 2291 HA -0.08 0.15 0.55 -0.75 4.32 4.19 1a9xC1 LYS 2291 HB2 -0.13 -0.03 0.03 -0.04 1.87 1.70 1a9xC1 LYS 2291 HB3 -0.07 0.04 0.02 -0.04 1.79 1.74 1a9xC1 LYS 2291 HG2 -0.05 0.02 -0.01 -0.04 1.46 1.39 1a9xC1 LYS 2291 HG3 -0.05 -0.04 -0.01 -0.04 1.46 1.32 1a9xC1 LYS 2291 HD2 0.00 0.03 -0.00 -0.04 1.69 1.68 1a9xC1 LYS 2291 HD3 -0.02 0.01 0.00 -0.04 1.68 1.64 1a9xC1 LYS 2291 HE2 -0.01 -0.02 -0.01 -0.04 2.99 2.91 1a9xC1 LYS 2291 HE3 0.05 0.02 -0.01 -0.04 2.99 3.01 1a9xC1 ASN 2292 H -0.20 0.15 -0.16 -0.55 8.53 7.77 1a9xC1 ASN 2292 HA -0.08 0.23 0.72 -0.75 4.76 4.88 1a9xC1 ASN 2292 HB2 -0.06 0.03 0.16 -0.04 2.88 2.96 1a9xC1 ASN 2292 HB3 -0.07 0.08 -0.26 -0.04 2.79 2.51 1a9xC1 ASN 2292 HD21 -0.07 0.02 -0.03 -0.04 7.03 6.92 1a9xC1 ASN 2292 HD22 -0.05 0.06 -0.05 -0.04 7.74 7.65 1a9xC1 GLY 2293 H -0.15 0.60 0.15 -0.55 8.43 8.48 1a9xC1 GLY 2293 HA2 -0.09 -0.01 0.25 -0.51 4.01 3.64 1a9xC1 GLY 2293 HA3 -0.08 0.05 0.35 -0.51 4.01 3.82 1a9xC1 ARG 2294 H -0.15 -0.00 -0.40 -0.55 8.46 7.37 1a9xC1 ARG 2294 HA 0.01 0.07 0.38 -0.75 4.34 4.04 1a9xC1 ARG 2294 HB2 -0.03 0.05 0.06 -0.04 1.90 1.94 1a9xC1 ARG 2294 HB3 -0.18 -0.15 0.12 -0.04 1.80 1.55 1a9xC1 ARG 2294 HG2 0.32 0.01 -0.31 -0.04 1.67 1.65 1a9xC1 ARG 2294 HG3 0.12 0.06 -0.03 -0.04 1.67 1.78 1a9xC1 ARG 2294 HD2 0.11 -0.01 -0.02 -0.04 3.22 3.26 1a9xC1 ARG 2294 HD3 0.43 -0.03 -0.06 -0.04 3.22 3.52 1a9xC1 LEU 2295 H 0.05 0.13 0.25 -0.55 8.37 8.26 1a9xC1 LEU 2295 HA 0.15 0.19 0.91 -0.75 4.35 4.84 1a9xC1 LEU 2295 HB2 -0.04 0.04 0.11 -0.04 1.64 1.71 1a9xC1 LEU 2295 HB3 0.04 -0.02 0.21 -0.04 1.64 1.83 1a9xC1 LEU 2295 HG 0.18 0.01 -0.37 -0.04 1.64 1.42 1a9xC1 LEU 2295 HD13 -0.21 0.01 -0.07 -0.04 0.93 0.62 1a9xC1 LEU 2295 HD23 -0.15 -0.01 -0.11 -0.04 0.89 0.58 1a9xC1 ILE 2296 H 0.32 0.75 0.34 -0.55 8.25 9.12 1a9xC1 ILE 2296 HA 0.18 0.26 0.94 -0.75 4.18 4.80 1a9xC1 ILE 2296 HB 0.19 -0.06 -0.01 -0.04 1.89 1.97 1a9xC1 ILE 2296 HG12 0.10 0.04 -0.33 -0.04 1.49 1.26 1a9xC1 ILE 2296 HG13 0.26 -0.02 -0.56 -0.04 1.21 0.85 1a9xC1 ILE 2296 HG23 0.02 -0.00 -0.26 -0.04 0.93 0.64 1a9xC1 ILE 2296 HD13 -0.02 -0.02 -0.20 -0.04 0.88 0.59 1a9xC1 VAL 2297 H 0.14 0.81 0.28 -0.55 8.24 8.92 1a9xC1 VAL 2297 HA -0.04 0.06 0.79 -0.75 4.13 4.19 1a9xC1 VAL 2297 HB 0.10 0.04 -0.02 -0.04 2.12 2.20 1a9xC1 VAL 2297 HG13 -0.19 -0.02 -0.04 -0.04 0.97 0.68 1a9xC1 VAL 2297 HG23 0.22 0.01 -0.04 -0.04 0.95 1.09 1a9xC1 ILE 2298 H -0.19 0.69 0.41 -0.55 8.25 8.61 1a9xC1 ILE 2298 HA -0.04 0.14 0.86 -0.75 4.18 4.39 1a9xC1 ILE 2298 HB -0.12 -0.05 -0.04 -0.04 1.89 1.64 1a9xC1 ILE 2298 HG12 0.02 -0.03 -0.32 -0.04 1.49 1.12 1a9xC1 ILE 2298 HG13 -0.02 -0.06 -0.22 -0.04 1.21 0.87 1a9xC1 ILE 2298 HG23 -0.10 -0.02 -0.20 -0.04 0.93 0.56 1a9xC1 ILE 2298 HD13 -0.03 0.03 -0.27 -0.04 0.88 0.58 1a9xC1 GLU 2299 H -0.25 0.26 0.34 -0.55 8.60 8.40 1a9xC1 GLU 2299 HA -1.06 0.20 0.48 -0.75 4.29 3.16 1a9xC1 GLU 2299 HB2 -0.45 0.10 0.15 -0.04 2.09 1.84 1a9xC1 GLU 2299 HB3 -0.30 0.11 -0.23 -0.04 1.99 1.53 1a9xC1 GLU 2299 HG2 -0.18 -0.09 -0.18 -0.04 2.34 1.85 1a9xC1 GLU 2299 HG3 -0.23 -0.05 -0.49 -0.04 2.34 1.53 1a9xC1 MET 2300 H -0.58 0.46 0.21 -0.55 8.47 8.01 1a9xC1 MET 2300 HA -0.14 0.22 0.82 -0.75 4.52 4.67 1a9xC1 MET 2300 HB2 -0.01 0.06 0.11 -0.04 2.15 2.27 1a9xC1 MET 2300 HB3 0.04 -0.02 -0.19 -0.04 2.03 1.82 1a9xC1 MET 2300 HG2 0.36 0.05 -0.11 -0.04 2.63 2.90 1a9xC1 MET 2300 HG3 -0.05 0.00 0.02 -0.04 2.56 2.48 1a9xC1 MET 2300 HE3 0.07 0.02 -0.21 -0.04 2.10 1.93 1a9xC1 ASN 2301 H -0.06 0.39 0.28 -0.55 8.53 8.59 1a9xC1 ASN 2301 HA -0.09 0.25 0.85 -0.75 4.76 5.02 1a9xC1 ASN 2301 HB2 -0.01 -0.11 0.19 -0.04 2.88 2.91 1a9xC1 ASN 2301 HB3 -0.01 0.03 0.02 -0.04 2.79 2.79 1a9xC1 ASN 2301 HD21 -0.06 0.00 -0.14 -0.04 7.03 6.79 1a9xC1 ASN 2301 HD22 -0.03 -0.07 -0.03 -0.04 7.74 7.57 1a9xC1 PRO 2302 HA 0.00 0.13 0.47 -0.51 4.44 4.53 1a9xC1 PRO 2302 HB2 -0.00 0.01 0.14 -0.04 2.28 2.38 1a9xC1 PRO 2302 HB3 -0.00 0.06 -0.04 -0.04 2.02 2.00 1a9xC1 PRO 2302 HG2 -0.04 0.01 -0.03 -0.04 2.03 1.93 1a9xC1 PRO 2302 HG3 -0.05 0.09 0.06 -0.04 2.03 2.08 1a9xC1 PRO 2302 HD2 -0.08 0.04 0.12 -0.04 3.68 3.72 1a9xC1 PRO 2302 HD3 -0.08 0.27 0.04 -0.04 3.65 3.84 1a9xC1 ARG 2303 H 0.02 0.38 -0.39 -0.55 8.46 7.92 1a9xC1 ARG 2303 HA 0.03 0.13 0.55 -0.75 4.34 4.30 1a9xC1 ARG 2303 HB2 0.05 0.04 0.11 -0.04 1.90 2.06 1a9xC1 ARG 2303 HB3 0.01 0.09 -0.09 -0.04 1.80 1.77 1a9xC1 ARG 2303 HG2 -0.01 -0.03 -0.41 -0.04 1.67 1.18 1a9xC1 ARG 2303 HG3 0.04 -0.07 -0.28 -0.04 1.67 1.31 1a9xC1 ARG 2303 HD2 0.08 0.16 -0.08 -0.04 3.22 3.34 1a9xC1 ARG 2303 HD3 -0.04 0.06 -0.23 -0.04 3.22 2.97 1a9xC1 VAL 2304 H 0.10 0.57 0.25 -0.55 8.24 8.61 1a9xC1 VAL 2304 HA 0.10 0.04 0.48 -0.75 4.13 4.00 1a9xC1 VAL 2304 HB 0.13 -0.10 0.08 -0.04 2.12 2.18 1a9xC1 VAL 2304 HG13 0.08 0.02 -0.02 -0.04 0.97 1.00 1a9xC1 VAL 2304 HG23 0.26 0.08 0.04 -0.04 0.95 1.30 1a9xC1 SER 2305 H 0.09 0.09 0.16 -0.55 8.46 8.26 1a9xC1 SER 2305 HA 0.26 0.22 0.55 -0.75 4.49 4.77 1a9xC1 SER 2305 HB2 0.08 -0.20 0.17 -0.04 3.95 3.95 1a9xC1 SER 2305 HB3 0.11 0.28 -0.12 -0.04 3.93 4.15 1a9xC1 ARG 2306 H 0.03 0.27 0.13 -0.55 8.46 8.34 1a9xC1 ARG 2306 HA -0.14 0.09 0.47 -0.75 4.34 4.00 1a9xC1 ARG 2306 HB2 -0.04 0.07 0.01 -0.04 1.90 1.90 1a9xC1 ARG 2306 HB3 -0.08 -0.00 0.06 -0.04 1.80 1.75 1a9xC1 ARG 2306 HG2 0.05 -0.03 0.09 -0.04 1.67 1.74 1a9xC1 ARG 2306 HG3 0.03 0.05 -0.12 -0.04 1.67 1.59 1a9xC1 ARG 2306 HD2 0.06 0.02 -0.04 -0.04 3.22 3.22 1a9xC1 ARG 2306 HD3 -0.00 0.02 -0.04 -0.04 3.22 3.16 1a9xC1 SER 2307 H 0.03 0.10 -0.14 -0.55 8.46 7.89 1a9xC1 SER 2307 HA 0.02 0.17 0.36 -0.75 4.49 4.29 1a9xC1 SER 2307 HB2 0.03 -0.02 -0.04 -0.04 3.95 3.88 1a9xC1 SER 2307 HB3 0.03 0.10 -0.16 -0.04 3.93 3.86 1a9xC1 SER 2308 H 0.04 0.03 -0.40 -0.55 8.46 7.59 1a9xC1 SER 2308 HA 0.06 0.18 0.51 -0.75 4.49 4.48 1a9xC1 SER 2308 HB2 0.08 0.08 0.04 -0.04 3.95 4.11 1a9xC1 SER 2308 HB3 0.06 0.07 0.02 -0.04 3.93 4.04 1a9xC1 ALA 2309 H 0.04 0.27 -0.28 -0.55 8.40 7.88 1a9xC1 ALA 2309 HA 0.25 0.06 0.39 -0.75 4.34 4.28 1a9xC1 ALA 2309 HB3 -0.01 0.06 0.08 -0.04 1.41 1.51 1a9xC1 LEU 2310 H 0.02 0.30 -0.30 -0.55 8.37 7.84 1a9xC1 LEU 2310 HA 0.02 0.09 0.37 -0.75 4.35 4.08 1a9xC1 LEU 2310 HB2 0.01 0.02 -0.00 -0.04 1.64 1.63 1a9xC1 LEU 2310 HB3 0.03 -0.02 0.08 -0.04 1.64 1.69 1a9xC1 LEU 2310 HG 0.03 0.02 -0.39 -0.04 1.64 1.25 1a9xC1 LEU 2310 HD13 0.02 0.00 -0.12 -0.04 0.93 0.79 1a9xC1 LEU 2310 HD23 0.03 -0.00 -0.17 -0.04 0.89 0.70 1a9xC1 ALA 2311 H 0.05 0.56 -0.20 -0.55 8.40 8.26 1a9xC1 ALA 2311 HA 0.05 0.03 0.32 -0.75 4.34 3.98 1a9xC1 ALA 2311 HB3 0.04 0.01 0.03 -0.04 1.41 1.45 1a9xC1 SER 2312 H 0.13 0.44 -0.42 -0.55 8.46 8.06 1a9xC1 SER 2312 HA 0.23 0.18 0.51 -0.75 4.49 4.65 1a9xC1 SER 2312 HB2 0.26 0.13 0.10 -0.04 3.95 4.40 1a9xC1 SER 2312 HB3 0.32 -0.07 -0.06 -0.04 3.93 4.08 1a9xC1 LYS 2313 H 0.09 0.47 -0.18 -0.55 8.42 8.25 1a9xC1 LYS 2313 HA 0.24 0.04 0.43 -0.75 4.32 4.27 1a9xC1 LYS 2313 HB2 0.04 0.08 0.17 -0.04 1.87 2.12 1a9xC1 LYS 2313 HB3 -0.01 -0.03 -0.07 -0.04 1.79 1.64 1a9xC1 LYS 2313 HG2 -0.06 0.20 0.08 -0.04 1.46 1.64 1a9xC1 LYS 2313 HG3 0.32 -0.09 -0.02 -0.04 1.46 1.62 1a9xC1 LYS 2313 HD2 0.06 0.28 -0.02 -0.04 1.69 1.97 1a9xC1 LYS 2313 HD3 0.06 -0.11 -0.09 -0.04 1.68 1.50 1a9xC1 LYS 2313 HE2 -0.36 -0.11 -0.22 -0.04 2.99 2.25 1a9xC1 LYS 2313 HE3 -0.94 -0.08 -0.11 -0.04 2.99 1.82 1a9xC1 ALA 2314 H 0.06 0.64 -0.15 -0.55 8.40 8.40 1a9xC1 ALA 2314 HA -0.03 0.02 0.24 -0.75 4.34 3.81 1a9xC1 ALA 2314 HB3 0.05 -0.01 -0.02 -0.04 1.41 1.39 1a9xC1 THR 2315 H 0.14 0.49 -0.17 -0.55 8.28 8.20 1a9xC1 THR 2315 HA 0.15 0.11 0.83 -0.75 4.39 4.72 1a9xC1 THR 2315 HB 0.12 -0.03 0.08 -0.04 4.32 4.46 1a9xC1 THR 2315 HG23 0.04 0.08 0.03 -0.04 1.22 1.33 1a9xC1 GLY 2316 H 0.27 0.58 -0.10 -0.55 8.43 8.63 1a9xC1 GLY 2316 HA2 0.44 0.04 0.26 -0.51 4.01 4.24 1a9xC1 GLY 2316 HA3 0.25 0.03 0.46 -0.51 4.01 4.24 1a9xC1 PHE 2317 H 0.35 0.10 -0.18 -0.55 8.34 8.05 1a9xC1 PHE 2317 HA 0.17 0.17 0.74 -0.75 4.62 4.95 1a9xC1 PHE 2317 HB2 0.05 0.08 -0.04 -0.04 3.15 3.20 1a9xC1 PHE 2317 HB3 0.05 -0.06 0.10 -0.04 3.06 3.11 1a9xC1 PHE 2317 HD2 -0.09 -0.09 -0.36 -0.04 7.28 6.70 1a9xC1 PHE 2317 HE2 -0.07 0.06 -0.10 -0.04 7.38 7.23 1a9xC1 PHE 2317 HZ 0.01 0.04 -0.07 -0.04 7.32 7.27 1a9xC1 PRO 2318 HA 0.24 0.05 0.47 -0.51 4.44 4.69 1a9xC1 PRO 2318 HB2 0.03 -0.12 0.11 -0.04 2.28 2.25 1a9xC1 PRO 2318 HB3 0.11 0.07 0.03 -0.04 2.02 2.19 1a9xC1 PRO 2318 HG2 -0.05 0.04 0.08 -0.04 2.03 2.06 1a9xC1 PRO 2318 HG3 0.20 0.09 0.06 -0.04 2.03 2.33 1a9xC1 PRO 2318 HD2 -0.46 0.11 0.09 -0.04 3.68 3.39 1a9xC1 PRO 2318 HD3 0.07 0.32 0.19 -0.04 3.65 4.19 1a9xC1 ILE 2319 H 0.28 0.32 0.16 -0.55 8.25 8.46 1a9xC1 ILE 2319 HA 0.36 0.14 0.23 -0.75 4.18 4.15 1a9xC1 ILE 2319 HB 0.15 -0.07 0.07 -0.04 1.89 2.00 1a9xC1 ILE 2319 HG12 0.11 0.06 -0.11 -0.04 1.49 1.51 1a9xC1 ILE 2319 HG13 0.24 0.20 0.04 -0.04 1.21 1.65 1a9xC1 ILE 2319 HG23 0.10 0.01 -0.17 -0.04 0.93 0.82 1a9xC1 ILE 2319 HD13 0.03 -0.00 -0.04 -0.04 0.88 0.82 1a9xC1 ALA 2320 H 0.05 0.10 -0.11 -0.55 8.40 7.89 1a9xC1 ALA 2320 HA 0.03 0.04 0.31 -0.75 4.34 3.96 1a9xC1 ALA 2320 HB3 -0.11 0.03 0.03 -0.04 1.41 1.32 1a9xC1 LYS 2321 H -0.03 0.04 -0.40 -0.55 8.42 7.47 1a9xC1 LYS 2321 HA -0.03 0.13 0.27 -0.75 4.32 3.93 1a9xC1 LYS 2321 HB2 -0.05 -0.13 0.03 -0.04 1.87 1.68 1a9xC1 LYS 2321 HB3 -0.02 0.10 0.00 -0.04 1.79 1.83 1a9xC1 LYS 2321 HG2 -0.03 0.06 -0.09 -0.04 1.46 1.35 1a9xC1 LYS 2321 HG3 -0.03 0.06 0.02 -0.04 1.46 1.46 1a9xC1 LYS 2321 HD2 -0.05 0.05 -0.03 -0.04 1.69 1.62 1a9xC1 LYS 2321 HD3 -0.07 -0.12 -0.02 -0.04 1.68 1.42 1a9xC1 LYS 2321 HE2 0.01 -0.01 -0.04 -0.04 2.99 2.91 1a9xC1 LYS 2321 HE3 -0.01 0.09 -0.06 -0.04 2.99 2.97 1a9xC1 VAL 2322 H 0.04 0.50 -0.12 -0.55 8.24 8.10 1a9xC1 VAL 2322 HA 0.00 0.08 0.39 -0.75 4.13 3.85 1a9xC1 VAL 2322 HB 0.20 0.03 0.05 -0.04 2.12 2.36 1a9xC1 VAL 2322 HG13 0.18 -0.00 -0.24 -0.04 0.97 0.86 1a9xC1 VAL 2322 HG23 -0.19 0.01 -0.05 -0.04 0.95 0.68 1a9xC1 ALA 2323 H 0.08 0.63 -0.12 -0.55 8.40 8.44 1a9xC1 ALA 2323 HA 0.07 0.04 0.32 -0.75 4.34 4.01 1a9xC1 ALA 2323 HB3 0.06 -0.02 0.06 -0.04 1.41 1.46 1a9xC1 ALA 2324 H 0.02 0.55 -0.20 -0.55 8.40 8.22 1a9xC1 ALA 2324 HA 0.01 -0.03 0.42 -0.75 4.34 3.99 1a9xC1 ALA 2324 HB3 0.00 0.04 0.12 -0.04 1.41 1.53 1a9xC1 LYS 2325 H 0.04 0.41 -0.27 -0.55 8.42 8.04 1a9xC1 LYS 2325 HA 0.16 0.07 0.29 -0.75 4.32 4.08 1a9xC1 LYS 2325 HB2 0.02 0.09 -0.02 -0.04 1.87 1.92 1a9xC1 LYS 2325 HB3 0.03 -0.04 -0.03 -0.04 1.79 1.71 1a9xC1 LYS 2325 HG2 0.03 -0.05 -0.09 -0.04 1.46 1.31 1a9xC1 LYS 2325 HG3 -0.02 0.16 0.03 -0.04 1.46 1.58 1a9xC1 LYS 2325 HD2 -0.20 -0.06 -0.06 -0.04 1.69 1.33 1a9xC1 LYS 2325 HD3 -0.26 0.02 -0.05 -0.04 1.68 1.35 1a9xC1 LYS 2325 HE2 0.00 0.20 -0.02 -0.04 2.99 3.13 1a9xC1 LYS 2325 HE3 -0.03 -0.07 -0.03 -0.04 2.99 2.81 1a9xC1 LEU 2326 H 0.08 0.30 -0.32 -0.55 8.37 7.89 1a9xC1 LEU 2326 HA 0.13 0.26 0.45 -0.75 4.35 4.43 1a9xC1 LEU 2326 HB2 0.07 -0.00 0.06 -0.04 1.64 1.73 1a9xC1 LEU 2326 HB3 0.06 0.02 -0.28 -0.04 1.64 1.40 1a9xC1 LEU 2326 HG 0.08 -0.04 0.00 -0.04 1.64 1.64 1a9xC1 LEU 2326 HD13 0.11 0.04 -0.33 -0.04 0.93 0.71 1a9xC1 LEU 2326 HD23 0.08 -0.02 -0.28 -0.04 0.89 0.63 1a9xC1 ALA 2327 H 0.04 0.40 -0.21 -0.55 8.40 8.08 1a9xC1 ALA 2327 HA 0.01 -0.01 0.50 -0.75 4.34 4.09 1a9xC1 ALA 2327 HB3 -0.01 0.02 0.12 -0.04 1.41 1.50 1a9xC1 VAL 2328 H 0.02 0.24 -0.60 -0.55 8.24 7.35 1a9xC1 VAL 2328 HA -0.09 0.16 0.91 -0.75 4.13 4.36 1a9xC1 VAL 2328 HB -0.22 -0.03 0.19 -0.04 2.12 2.03 1a9xC1 VAL 2328 HG13 -0.40 0.02 -0.15 -0.04 0.97 0.40 1a9xC1 VAL 2328 HG23 0.09 -0.00 0.02 -0.04 0.95 1.02 1a9xC1 GLY 2329 H -0.01 0.46 -0.30 -0.55 8.43 8.04 1a9xC1 GLY 2329 HA2 -0.04 -0.10 0.32 -0.51 4.01 3.68 1a9xC1 GLY 2329 HA3 -0.13 0.26 1.08 -0.51 4.01 4.71 1a9xC1 TYR 2330 H 0.03 0.24 -0.20 -0.55 8.29 7.81 1a9xC1 TYR 2330 HA 0.03 0.35 0.56 -0.75 4.56 4.75 1a9xC1 TYR 2330 HB2 0.03 0.02 -0.27 -0.04 3.06 2.80 1a9xC1 TYR 2330 HB3 0.04 -0.05 -0.17 -0.04 2.98 2.75 1a9xC1 TYR 2330 HD2 0.04 0.06 -0.00 -0.04 7.15 7.20 1a9xC1 TYR 2330 HE2 0.08 0.02 -0.01 -0.04 6.85 6.90 1a9xC1 THR 2331 H 0.20 0.15 0.18 -0.55 8.28 8.26 1a9xC1 THR 2331 HA 0.10 0.13 0.85 -0.75 4.39 4.71 1a9xC1 THR 2331 HB 0.07 -0.17 0.09 -0.04 4.32 4.27 1a9xC1 THR 2331 HG23 0.05 0.04 -0.02 -0.04 1.22 1.25 1a9xC1 LEU 2332 H 0.09 0.13 0.06 -0.55 8.37 8.10 1a9xC1 LEU 2332 HA 0.10 0.11 0.18 -0.75 4.35 3.98 1a9xC1 LEU 2332 HB2 0.09 -0.05 -0.05 -0.04 1.64 1.60 1a9xC1 LEU 2332 HB3 0.14 0.03 -0.42 -0.04 1.64 1.36 1a9xC1 LEU 2332 HG 0.10 -0.02 -0.15 -0.04 1.64 1.52 1a9xC1 LEU 2332 HD13 0.08 0.01 -0.28 -0.04 0.93 0.69 1a9xC1 LEU 2332 HD23 0.19 0.05 -0.23 -0.04 0.89 0.86 1a9xC1 ASP 2333 H 0.07 0.04 -0.26 -0.55 8.40 7.70 1a9xC1 ASP 2333 HA 0.06 0.04 0.40 -0.75 4.63 4.38 1a9xC1 ASP 2333 HB2 0.04 0.07 0.05 -0.04 2.71 2.83 1a9xC1 ASP 2333 HB3 0.05 -0.01 0.05 -0.04 2.70 2.75 1a9xC1 GLU 2334 H 0.08 0.41 -0.39 -0.55 8.60 8.15 1a9xC1 GLU 2334 HA 0.04 0.24 0.87 -0.75 4.29 4.70 1a9xC1 GLU 2334 HB2 0.20 0.01 -0.00 -0.04 2.09 2.26 1a9xC1 GLU 2334 HB3 0.12 0.01 0.08 -0.04 1.99 2.16 1a9xC1 GLU 2334 HG2 0.08 0.02 -0.13 -0.04 2.34 2.27 1a9xC1 GLU 2334 HG3 0.10 -0.18 -0.07 -0.04 2.34 2.14 1a9xC1 LEU 2335 H 0.02 0.22 -0.23 -0.55 8.37 7.83 1a9xC1 LEU 2335 HA -0.11 0.13 0.63 -0.75 4.35 4.25 1a9xC1 LEU 2335 HB2 -0.02 -0.07 -0.02 -0.04 1.64 1.50 1a9xC1 LEU 2335 HB3 -0.09 0.02 -0.01 -0.04 1.64 1.51 1a9xC1 LEU 2335 HG -0.02 0.08 -0.13 -0.04 1.64 1.53 1a9xC1 LEU 2335 HD13 0.02 -0.03 -0.21 -0.04 0.93 0.66 1a9xC1 LEU 2335 HD23 -0.39 0.02 -0.13 -0.04 0.89 0.35 1a9xC1 MET 2336 H -0.07 0.14 0.08 -0.55 8.47 8.07 1a9xC1 MET 2336 HA -0.06 0.19 0.81 -0.75 4.52 4.71 1a9xC1 MET 2336 HB2 -0.06 -0.06 -0.04 -0.04 2.15 1.95 1a9xC1 MET 2336 HB3 -0.07 -0.01 -0.18 -0.04 2.03 1.73 1a9xC1 MET 2336 HG2 -0.04 -0.06 -0.18 -0.04 2.63 2.31 1a9xC1 MET 2336 HG3 -0.04 0.14 -0.09 -0.04 2.56 2.53 1a9xC1 MET 2336 HE3 -0.02 -0.02 -0.43 -0.04 2.10 1.59 1a9xC1 ASN 2337 H -0.11 1.10 0.16 -0.55 8.53 9.14 1a9xC1 ASN 2337 HA -0.08 0.02 0.41 -0.75 4.76 4.36 1a9xC1 ASN 2337 HB2 -0.17 0.27 -0.24 -0.04 2.88 2.70 1a9xC1 ASN 2337 HB3 -0.20 -0.13 0.07 -0.04 2.79 2.49 1a9xC1 ASN 2337 HD21 0.17 0.05 -0.06 -0.04 7.03 7.14 1a9xC1 ASN 2337 HD22 -0.04 0.00 0.03 -0.04 7.74 7.68 1a9xC1 ASP 2338 H -0.06 0.18 0.15 -0.55 8.40 8.11 1a9xC1 ASP 2338 HA -0.02 0.14 0.27 -0.75 4.63 4.26 1a9xC1 ASP 2338 HB2 0.04 -0.03 0.17 -0.04 2.71 2.85 1a9xC1 ASP 2338 HB3 0.03 0.03 -0.10 -0.04 2.70 2.62 1a9xC1 ILE 2339 H -0.07 0.17 -0.05 -0.55 8.25 7.74 1a9xC1 ILE 2339 HA -0.11 0.17 0.83 -0.75 4.18 4.31 1a9xC1 ILE 2339 HB -0.10 0.01 0.22 -0.04 1.89 1.98 1a9xC1 ILE 2339 HG12 0.01 -0.00 -0.08 -0.04 1.49 1.37 1a9xC1 ILE 2339 HG13 0.01 0.06 -0.08 -0.04 1.21 1.16 1a9xC1 ILE 2339 HG23 -0.52 0.01 -0.00 -0.04 0.93 0.37 1a9xC1 ILE 2339 HD13 0.02 0.03 -0.15 -0.04 0.88 0.74 1a9xC1 THR 2340 H -0.07 0.17 -0.41 -0.55 8.28 7.42 1a9xC1 THR 2340 HA -0.01 0.37 0.84 -0.75 4.39 4.83 1a9xC1 THR 2340 HB -0.15 0.00 0.19 -0.04 4.32 4.32 1a9xC1 THR 2340 HG23 -0.04 0.01 -0.08 -0.04 1.22 1.06 1a9xC1 GLY 2341 H -0.04 0.17 -1.08 -0.55 8.43 6.93 1a9xC1 GLY 2341 HA2 -0.02 0.04 0.23 -0.51 4.01 3.75 1a9xC1 GLY 2341 HA3 -0.02 0.05 0.30 -0.51 4.01 3.83 1a9xC1 GLY 2342 H -0.07 0.11 -0.49 -0.55 8.43 7.44 1a9xC1 GLY 2342 HA2 -0.07 0.07 0.05 -0.51 4.01 3.55 1a9xC1 GLY 2342 HA3 -0.05 0.01 0.24 -0.51 4.01 3.71 1a9xC1 ARG 2343 H -0.11 0.14 -0.25 -0.55 8.46 7.68 1a9xC1 ARG 2343 HA -0.07 0.13 0.68 -0.75 4.34 4.32 1a9xC1 ARG 2343 HB2 -0.10 0.11 0.13 -0.04 1.90 2.00 1a9xC1 ARG 2343 HB3 -0.08 -0.10 0.02 -0.04 1.80 1.61 1a9xC1 ARG 2343 HG2 -0.03 -0.07 -0.03 -0.04 1.67 1.51 1a9xC1 ARG 2343 HG3 -0.04 0.15 -0.32 -0.04 1.67 1.41 1a9xC1 ARG 2343 HD2 -0.01 0.11 -0.03 -0.04 3.22 3.26 1a9xC1 ARG 2343 HD3 -0.00 -0.10 -0.03 -0.04 3.22 3.05 1a9xC1 THR 2344 H -0.26 -0.01 0.11 -0.55 8.28 7.57 1a9xC1 THR 2344 HA -0.26 0.23 0.84 -0.75 4.39 4.45 1a9xC1 THR 2344 HB -0.54 0.07 0.05 -0.04 4.32 3.86 1a9xC1 THR 2344 HG23 -1.02 -0.00 -0.04 -0.04 1.22 0.11 1a9xC1 PRO 2345 HA -0.04 0.31 0.57 -0.51 4.44 4.76 1a9xC1 PRO 2345 HB2 0.05 -0.29 -0.04 -0.04 2.28 1.97 1a9xC1 PRO 2345 HB3 -0.00 0.18 0.10 -0.04 2.02 2.25 1a9xC1 PRO 2345 HG2 0.00 0.03 -0.13 -0.04 2.03 1.89 1a9xC1 PRO 2345 HG3 -0.02 0.05 0.04 -0.04 2.03 2.06 1a9xC1 PRO 2345 HD2 -0.25 0.05 0.14 -0.04 3.68 3.58 1a9xC1 PRO 2345 HD3 -0.13 0.21 0.20 -0.04 3.65 3.89 1a9xC1 ALA 2346 H 0.05 0.66 0.03 -0.55 8.40 8.59 1a9xC1 ALA 2346 HA 0.27 0.04 0.31 -0.75 4.34 4.20 1a9xC1 ALA 2346 HB3 0.02 0.01 -0.10 -0.04 1.41 1.30 1a9xC1 SER 2347 H 0.16 0.13 -0.57 -0.55 8.46 7.63 1a9xC1 SER 2347 HA 0.19 0.13 0.56 -0.75 4.49 4.61 1a9xC1 SER 2347 HB2 0.11 0.01 -0.05 -0.04 3.95 3.98 1a9xC1 SER 2347 HB3 0.11 -0.22 -0.29 -0.04 3.93 3.49 1a9xC1 PHE 2348 H 0.20 0.52 -0.06 -0.55 8.34 8.45 1a9xC1 PHE 2348 HA 0.06 0.06 0.48 -0.75 4.62 4.47 1a9xC1 PHE 2348 HB2 0.06 -0.04 0.01 -0.04 3.15 3.14 1a9xC1 PHE 2348 HB3 0.05 0.09 -0.48 -0.04 3.06 2.67 1a9xC1 PHE 2348 HD2 0.12 0.02 -0.39 -0.04 7.28 6.98 1a9xC1 PHE 2348 HE2 0.12 0.00 -0.17 -0.04 7.38 7.30 1a9xC1 PHE 2348 HZ 0.19 -0.07 -0.13 -0.04 7.32 7.27 1a9xC1 GLU 2349 H 0.11 0.14 0.10 -0.55 8.60 8.41 1a9xC1 GLU 2349 HA -0.34 0.24 0.96 -0.75 4.29 4.40 1a9xC1 GLU 2349 HB2 0.00 -0.07 0.14 -0.04 2.09 2.12 1a9xC1 GLU 2349 HB3 -0.06 0.14 0.11 -0.04 1.99 2.14 1a9xC1 GLU 2349 HG2 -0.10 0.01 0.03 -0.04 2.34 2.24 1a9xC1 GLU 2349 HG3 -0.02 -0.05 -0.10 -0.04 2.34 2.13 1a9xC1 PRO 2350 HA 0.18 0.19 0.52 -0.51 4.44 4.83 1a9xC1 PRO 2350 HB2 -0.03 -0.02 0.06 -0.04 2.28 2.25 1a9xC1 PRO 2350 HB3 0.10 0.00 0.17 -0.04 2.02 2.25 1a9xC1 PRO 2350 HG2 -0.22 0.08 0.20 -0.04 2.03 2.05 1a9xC1 PRO 2350 HG3 -0.08 -0.02 0.06 -0.04 2.03 1.95 1a9xC1 PRO 2350 HD2 -0.44 0.12 0.41 -0.04 3.68 3.73 1a9xC1 PRO 2350 HD3 -0.93 0.25 0.05 -0.04 3.65 2.98 1a9xC1 SER 2351 H 0.15 0.67 0.32 -0.55 8.46 9.04 1a9xC1 SER 2351 HA -0.02 0.11 0.79 -0.75 4.49 4.62 1a9xC1 SER 2351 HB2 0.05 0.07 -0.02 -0.04 3.95 4.01 1a9xC1 SER 2351 HB3 0.06 -0.05 -0.06 -0.04 3.93 3.84 1a9xC1 ILE 2352 H -0.13 0.21 0.13 -0.55 8.25 7.91 1a9xC1 ILE 2352 HA -0.25 0.05 1.00 -0.75 4.18 4.23 1a9xC1 ILE 2352 HB -1.35 -0.01 0.05 -0.04 1.89 0.54 1a9xC1 ILE 2352 HG12 -0.16 -0.05 0.03 -0.04 1.49 1.28 1a9xC1 ILE 2352 HG13 -0.29 0.06 0.05 -0.04 1.21 0.99 1a9xC1 ILE 2352 HG23 -0.08 0.01 -0.13 -0.04 0.93 0.69 1a9xC1 ILE 2352 HD13 -0.12 0.00 -0.16 -0.04 0.88 0.56 1a9xC1 ASP 2353 H -0.41 0.12 0.09 -0.55 8.40 7.65 1a9xC1 ASP 2353 HA -0.10 0.22 0.89 -0.75 4.63 4.88 1a9xC1 ASP 2353 HB2 0.04 0.03 0.21 -0.04 2.71 2.95 1a9xC1 ASP 2353 HB3 -0.02 0.06 0.04 -0.04 2.70 2.73 1a9xC1 TYR 2354 H -0.46 0.39 -0.17 -0.55 8.29 7.50 1a9xC1 TYR 2354 HA 0.01 0.14 0.51 -0.75 4.56 4.47 1a9xC1 TYR 2354 HB2 -0.23 0.06 0.01 -0.04 3.06 2.86 1a9xC1 TYR 2354 HB3 -0.00 0.10 -0.07 -0.04 2.98 2.97 1a9xC1 TYR 2354 HD2 -0.05 0.05 -0.42 -0.04 7.15 6.70 1a9xC1 TYR 2354 HE2 -0.07 0.04 -0.02 -0.04 6.85 6.77 1a9xC1 VAL 2355 H 0.15 0.71 0.25 -0.55 8.24 8.81 1a9xC1 VAL 2355 HA 0.09 0.33 1.05 -0.75 4.13 4.85 1a9xC1 VAL 2355 HB 0.12 -0.05 -0.18 -0.04 2.12 1.97 1a9xC1 VAL 2355 HG13 0.19 0.00 -0.17 -0.04 0.97 0.95 1a9xC1 VAL 2355 HG23 0.15 -0.01 -0.27 -0.04 0.95 0.77 1a9xC1 VAL 2356 H 0.09 0.63 0.35 -0.55 8.24 8.77 1a9xC1 VAL 2356 HA -0.02 0.39 1.07 -0.75 4.13 4.81 1a9xC1 VAL 2356 HB 0.04 -0.12 0.14 -0.04 2.12 2.15 1a9xC1 VAL 2356 HG13 -0.06 0.00 -0.11 -0.04 0.97 0.76 1a9xC1 VAL 2356 HG23 0.09 0.02 -0.09 -0.04 0.95 0.93 1a9xC1 THR 2357 H -0.00 0.61 0.39 -0.55 8.28 8.73 1a9xC1 THR 2357 HA 0.03 0.29 1.15 -0.75 4.39 5.11 1a9xC1 THR 2357 HB -0.00 0.01 -0.09 -0.04 4.32 4.19 1a9xC1 THR 2357 HG23 -0.07 -0.01 -0.15 -0.04 1.22 0.95 1a9xC1 LYS 2358 H -0.01 0.68 0.41 -0.55 8.42 8.96 1a9xC1 LYS 2358 HA 0.01 0.36 1.21 -0.75 4.32 5.14 1a9xC1 LYS 2358 HB2 0.01 -0.05 -0.04 -0.04 1.87 1.75 1a9xC1 LYS 2358 HB3 0.01 -0.07 0.13 -0.04 1.79 1.81 1a9xC1 LYS 2358 HG2 -0.01 0.08 -0.26 -0.04 1.46 1.24 1a9xC1 LYS 2358 HG3 0.01 -0.05 -0.09 -0.04 1.46 1.28 1a9xC1 LYS 2358 HD2 -0.00 -0.12 -0.14 -0.04 1.69 1.38 1a9xC1 LYS 2358 HD3 0.01 -0.06 -0.11 -0.04 1.68 1.49 1a9xC1 LYS 2358 HE2 -0.01 0.05 -0.25 -0.04 2.99 2.75 1a9xC1 LYS 2358 HE3 -0.02 -0.06 -0.13 -0.04 2.99 2.74 1a9xC1 ILE 2359 H -0.02 0.59 0.31 -0.55 8.25 8.58 1a9xC1 ILE 2359 HA -0.06 0.15 0.95 -0.75 4.18 4.47 1a9xC1 ILE 2359 HB -0.03 -0.03 0.07 -0.04 1.89 1.86 1a9xC1 ILE 2359 HG12 -0.17 0.02 -0.17 -0.04 1.49 1.13 1a9xC1 ILE 2359 HG13 -0.08 -0.04 -0.37 -0.04 1.21 0.67 1a9xC1 ILE 2359 HG23 -0.04 0.05 -0.08 -0.04 0.93 0.82 1a9xC1 ILE 2359 HD13 -0.18 0.01 -0.20 -0.04 0.88 0.46 1a9xC1 PRO 2360 HA -0.13 0.07 0.71 -0.51 4.44 4.58 1a9xC1 PRO 2360 HB2 -0.63 -0.05 -0.02 -0.04 2.28 1.54 1a9xC1 PRO 2360 HB3 -0.14 0.22 0.11 -0.04 2.02 2.16 1a9xC1 PRO 2360 HG2 0.30 -0.00 -0.06 -0.04 2.03 2.23 1a9xC1 PRO 2360 HG3 0.13 0.08 -0.63 -0.04 2.03 1.56 1a9xC1 PRO 2360 HD2 0.03 0.02 0.09 -0.04 3.68 3.78 1a9xC1 PRO 2360 HD3 0.01 0.35 -0.24 -0.04 3.65 3.73 1a9xC1 ARG 2361 H -0.24 0.65 0.23 -0.55 8.46 8.54 1a9xC1 ARG 2361 HA -0.01 0.17 0.86 -0.75 4.34 4.61 1a9xC1 ARG 2361 HB2 -0.05 -0.03 -0.15 -0.04 1.90 1.63 1a9xC1 ARG 2361 HB3 -0.10 -0.17 -0.06 -0.04 1.80 1.43 1a9xC1 ARG 2361 HG2 -0.02 0.11 -0.16 -0.04 1.67 1.56 1a9xC1 ARG 2361 HG3 -0.03 -0.04 -0.17 -0.04 1.67 1.38 1a9xC1 ARG 2361 HD2 0.06 -0.12 0.14 -0.04 3.22 3.26 1a9xC1 ARG 2361 HD3 0.04 0.01 0.07 -0.04 3.22 3.31 1a9xC1 PHE 2362 H 0.19 0.21 0.19 -0.55 8.34 8.38 1a9xC1 PHE 2362 HA -0.12 0.12 0.97 -0.75 4.62 4.83 1a9xC1 PHE 2362 HB2 0.07 0.01 0.09 -0.04 3.15 3.28 1a9xC1 PHE 2362 HB3 -0.50 -0.09 0.17 -0.04 3.06 2.59 1a9xC1 PHE 2362 HD2 -0.05 0.09 -0.12 -0.04 7.28 7.15 1a9xC1 PHE 2362 HE2 0.13 -0.00 -0.07 -0.04 7.38 7.39 1a9xC1 PHE 2362 HZ 0.12 0.23 0.04 -0.04 7.32 7.66 1a9xC1 ASN 2363 H -0.21 0.22 0.12 -0.55 8.53 8.12 1a9xC1 ASN 2363 HA 0.02 0.20 0.70 -0.75 4.76 4.92 1a9xC1 ASN 2363 HB2 0.05 0.01 -0.04 -0.04 2.88 2.85 1a9xC1 ASN 2363 HB3 0.04 -0.00 0.24 -0.04 2.79 3.03 1a9xC1 ASN 2363 HD21 -0.03 0.07 0.08 -0.04 7.03 7.11 1a9xC1 ASN 2363 HD22 -0.02 -0.04 0.17 -0.04 7.74 7.80 1a9xC1 PHE 2364 H 0.02 0.15 0.10 -0.55 8.34 8.05 1a9xC1 PHE 2364 HA 0.07 0.14 0.38 -0.75 4.62 4.46 1a9xC1 PHE 2364 HB2 0.02 -0.04 0.07 -0.04 3.15 3.16 1a9xC1 PHE 2364 HB3 -0.01 0.14 -0.02 -0.04 3.06 3.13 1a9xC1 PHE 2364 HD2 -0.07 -0.01 0.03 -0.04 7.28 7.19 1a9xC1 PHE 2364 HE2 -0.21 0.05 -0.00 -0.04 7.38 7.18 1a9xC1 PHE 2364 HZ 0.08 0.04 -0.11 -0.04 7.32 7.28 1a9xC1 GLU 2365 H 0.09 0.03 -0.39 -0.55 8.60 7.78 1a9xC1 GLU 2365 HA 0.02 0.12 0.36 -0.75 4.29 4.04 1a9xC1 GLU 2365 HB2 -0.02 0.06 0.07 -0.04 2.09 2.16 1a9xC1 GLU 2365 HB3 0.02 -0.03 0.05 -0.04 1.99 1.99 1a9xC1 GLU 2365 HG2 -0.07 0.07 -0.30 -0.04 2.34 2.00 1a9xC1 GLU 2365 HG3 -0.03 0.05 -0.04 -0.04 2.34 2.28 1a9xC1 LYS 2366 H -0.17 0.50 -0.37 -0.55 8.42 7.83 1a9xC1 LYS 2366 HA -0.31 0.11 0.63 -0.75 4.32 4.00 1a9xC1 LYS 2366 HB2 -0.81 0.09 0.11 -0.04 1.87 1.23 1a9xC1 LYS 2366 HB3 -0.70 -0.00 0.15 -0.04 1.79 1.19 1a9xC1 LYS 2366 HG2 -0.20 -0.00 -0.06 -0.04 1.46 1.16 1a9xC1 LYS 2366 HG3 -0.17 -0.06 0.07 -0.04 1.46 1.25 1a9xC1 LYS 2366 HD2 -0.14 -0.08 0.05 -0.04 1.69 1.47 1a9xC1 LYS 2366 HD3 -0.25 0.15 0.10 -0.04 1.68 1.64 1a9xC1 LYS 2366 HE2 -0.12 -0.01 0.00 -0.04 2.99 2.82 1a9xC1 LYS 2366 HE3 -0.10 0.01 0.02 -0.04 2.99 2.89 1a9xC1 PHE 2367 H -0.10 0.52 -0.43 -0.55 8.34 7.77 1a9xC1 PHE 2367 HA -0.01 0.17 0.98 -0.75 4.62 5.01 1a9xC1 PHE 2367 HB2 -0.33 0.04 0.14 -0.04 3.15 2.96 1a9xC1 PHE 2367 HB3 -0.23 -0.06 0.09 -0.04 3.06 2.81 1a9xC1 PHE 2367 HD2 -0.16 -0.01 -0.09 -0.04 7.28 6.98 1a9xC1 PHE 2367 HE2 -0.09 -0.06 -0.07 -0.04 7.38 7.12 1a9xC1 PHE 2367 HZ -0.04 0.09 -0.00 -0.04 7.32 7.32 1a9xC1 ALA 2368 H -0.00 0.23 -0.20 -0.55 8.40 7.88 1a9xC1 ALA 2368 HA 0.02 0.09 0.32 -0.75 4.34 4.02 1a9xC1 ALA 2368 HB3 0.02 -0.02 0.07 -0.04 1.41 1.45 1a9xC1 GLY 2369 H 0.08 0.02 -0.11 -0.55 8.43 7.88 1a9xC1 GLY 2369 HA2 0.03 0.09 0.51 -0.51 4.01 4.13 1a9xC1 GLY 2369 HA3 0.05 0.05 0.30 -0.51 4.01 3.90 1a9xC1 ALA 2370 H 0.10 0.55 -0.25 -0.55 8.40 8.25 1a9xC1 ALA 2370 HA 0.11 -0.07 0.45 -0.75 4.34 4.08 1a9xC1 ALA 2370 HB3 0.10 0.04 0.02 -0.04 1.41 1.53 1a9xC1 ASN 2371 H 0.10 0.07 0.18 -0.55 8.53 8.33 1a9xC1 ASN 2371 HA -0.04 0.04 0.59 -0.75 4.76 4.60 1a9xC1 ASN 2371 HB2 0.02 0.02 0.17 -0.04 2.88 3.05 1a9xC1 ASN 2371 HB3 0.07 0.02 0.25 -0.04 2.79 3.09 1a9xC1 ASN 2371 HD21 0.01 0.01 0.02 -0.04 7.03 7.03 1a9xC1 ASN 2371 HD22 0.01 -0.01 0.06 -0.04 7.74 7.76 1a9xC1 ASP 2372 H -0.19 0.14 0.17 -0.55 8.40 7.96 1a9xC1 ASP 2372 HA -0.78 0.30 0.98 -0.75 4.63 4.37 1a9xC1 ASP 2372 HB2 -1.31 -0.17 0.22 -0.04 2.71 1.40 1a9xC1 ASP 2372 HB3 -0.69 0.11 -0.01 -0.04 2.70 2.07 1a9xC1 ARG 2373 H -0.12 0.04 -0.23 -0.55 8.46 7.60 1a9xC1 ARG 2373 HA -0.14 0.20 0.82 -0.75 4.34 4.46 1a9xC1 ARG 2373 HB2 -0.03 -0.07 -0.00 -0.04 1.90 1.75 1a9xC1 ARG 2373 HB3 -0.04 0.14 -0.02 -0.04 1.80 1.84 1a9xC1 ARG 2373 HG2 -0.10 -0.16 -0.05 -0.04 1.67 1.32 1a9xC1 ARG 2373 HG3 -0.07 -0.01 -0.04 -0.04 1.67 1.51 1a9xC1 ARG 2373 HD2 -0.10 0.01 -0.08 -0.04 3.22 3.01 1a9xC1 ARG 2373 HD3 -0.09 0.20 -0.32 -0.04 3.22 2.97 1a9xC1 LEU 2374 H -0.02 0.81 0.33 -0.55 8.37 8.94 1a9xC1 LEU 2374 HA 0.12 0.06 0.58 -0.75 4.35 4.36 1a9xC1 LEU 2374 HB2 0.07 -0.00 0.01 -0.04 1.64 1.68 1a9xC1 LEU 2374 HB3 0.15 -0.06 0.04 -0.04 1.64 1.73 1a9xC1 LEU 2374 HG -0.06 0.07 -0.23 -0.04 1.64 1.38 1a9xC1 LEU 2374 HD13 0.06 0.01 -0.10 -0.04 0.93 0.87 1a9xC1 LEU 2374 HD23 -0.12 -0.04 -0.23 -0.04 0.89 0.47 1a9xC1 THR 2375 H 0.13 0.18 0.18 -0.55 8.28 8.23 1a9xC1 THR 2375 HA 0.09 0.34 0.70 -0.75 4.39 4.76 1a9xC1 THR 2375 HB 0.09 0.14 -0.23 -0.04 4.32 4.28 1a9xC1 THR 2375 HG23 0.08 -0.05 0.02 -0.04 1.22 1.22 1a9xC1 THR 2376 H 0.06 0.13 0.11 -0.55 8.28 8.03 1a9xC1 THR 2376 HA 0.14 -0.05 0.37 -0.75 4.39 4.09 1a9xC1 THR 2376 HB 0.06 0.01 0.02 -0.04 4.32 4.37 1a9xC1 THR 2376 HG23 0.02 0.01 -0.12 -0.04 1.22 1.09 1a9xC1 GLN 2377 H 0.05 0.08 -0.32 -0.55 8.47 7.74 1a9xC1 GLN 2377 HA -0.05 0.10 0.97 -0.75 4.36 4.63 1a9xC1 GLN 2377 HB2 -0.03 0.20 0.03 -0.04 2.15 2.31 1a9xC1 GLN 2377 HB3 -0.01 -0.07 0.10 -0.04 2.02 2.00 1a9xC1 GLN 2377 HG2 -0.11 0.16 -0.25 -0.04 2.40 2.17 1a9xC1 GLN 2377 HG3 -0.09 -0.10 -0.10 -0.04 2.39 2.06 1a9xC1 GLN 2377 HE21 -0.25 0.36 0.19 -0.04 6.97 7.23 1a9xC1 GLN 2377 HE22 -0.18 0.35 -0.02 -0.04 7.69 7.79 1a9xC1 MET 2378 H -0.27 0.59 0.16 -0.55 8.47 8.40 1a9xC1 MET 2378 HA 0.00 -0.06 0.27 -0.75 4.52 3.98 1a9xC1 MET 2378 HB2 -0.19 0.12 0.06 -0.04 2.15 2.09 1a9xC1 MET 2378 HB3 -0.10 -0.09 -0.03 -0.04 2.03 1.77 1a9xC1 MET 2378 HG2 -0.23 -0.09 -0.11 -0.04 2.63 2.15 1a9xC1 MET 2378 HG3 -0.98 0.08 0.00 -0.04 2.56 1.62 1a9xC1 MET 2378 HE3 -0.06 0.04 -0.05 -0.04 2.10 1.99 1a9xC1 LYS 2379 H 0.16 -0.09 0.22 -0.55 8.42 8.15 1a9xC1 LYS 2379 HA 0.02 0.20 0.72 -0.75 4.32 4.51 1a9xC1 LYS 2379 HB2 0.51 -0.06 -0.01 -0.04 1.87 2.27 1a9xC1 LYS 2379 HB3 0.51 -0.06 0.09 -0.04 1.79 2.29 1a9xC1 LYS 2379 HG2 0.11 0.12 -0.05 -0.04 1.46 1.61 1a9xC1 LYS 2379 HG3 0.18 0.15 -0.33 -0.04 1.46 1.42 1a9xC1 LYS 2379 HD2 0.44 -0.04 -0.07 -0.04 1.69 1.97 1a9xC1 LYS 2379 HD3 0.69 -0.00 0.02 -0.04 1.68 2.34 1a9xC1 LYS 2379 HE2 0.17 0.06 0.07 -0.04 2.99 3.25 1a9xC1 LYS 2379 HE3 0.14 -0.07 0.03 -0.04 2.99 3.05 1a9xC1 SER 2380 H -0.00 -0.10 0.14 -0.55 8.46 7.95 1a9xC1 SER 2380 HA -0.41 0.10 0.72 -0.75 4.49 4.14 1a9xC1 SER 2380 HB2 -0.44 0.05 0.21 -0.04 3.95 3.73 1a9xC1 SER 2380 HB3 -1.23 0.01 0.06 -0.04 3.93 2.73 1a9xC1 VAL 2381 H -0.20 0.53 0.35 -0.55 8.24 8.37 1a9xC1 VAL 2381 HA -0.06 0.11 0.79 -0.75 4.13 4.22 1a9xC1 VAL 2381 HB -0.01 -0.08 -0.03 -0.04 2.12 1.96 1a9xC1 VAL 2381 HG13 0.03 0.01 -0.13 -0.04 0.97 0.84 1a9xC1 VAL 2381 HG23 -0.06 0.05 -0.18 -0.04 0.95 0.72 1a9xC1 GLY 2382 H -0.17 0.36 0.22 -0.55 8.43 8.29 1a9xC1 GLY 2382 HA2 -0.06 -0.09 0.38 -0.51 4.01 3.73 1a9xC1 GLY 2382 HA3 -0.06 0.31 0.50 -0.51 4.01 4.25 1a9xC1 GLU 2383 H -0.04 0.15 0.32 -0.55 8.60 8.48 1a9xC1 GLU 2383 HA -0.06 0.21 0.70 -0.75 4.29 4.39 1a9xC1 GLU 2383 HB2 -0.03 0.16 -0.02 -0.04 2.09 2.16 1a9xC1 GLU 2383 HB3 -0.06 0.09 -0.15 -0.04 1.99 1.83 1a9xC1 GLU 2383 HG2 -0.03 -0.20 -0.01 -0.04 2.34 2.06 1a9xC1 GLU 2383 HG3 -0.01 0.06 -0.22 -0.04 2.34 2.13 1a9xC1 VAL 2384 H -0.01 0.72 0.38 -0.55 8.24 8.78 1a9xC1 VAL 2384 HA 0.03 0.15 0.98 -0.75 4.13 4.53 1a9xC1 VAL 2384 HB 0.01 -0.03 -0.02 -0.04 2.12 2.04 1a9xC1 VAL 2384 HG13 0.01 0.06 -0.09 -0.04 0.97 0.91 1a9xC1 VAL 2384 HG23 0.04 0.00 -0.08 -0.04 0.95 0.87 1a9xC1 MET 2385 H 0.17 0.62 0.36 -0.55 8.47 9.08 1a9xC1 MET 2385 HA 0.07 0.31 1.20 -0.75 4.52 5.35 1a9xC1 MET 2385 HB2 0.12 -0.11 -0.09 -0.04 2.15 2.03 1a9xC1 MET 2385 HB3 0.43 0.01 -0.03 -0.04 2.03 2.41 1a9xC1 MET 2385 HG2 -0.12 0.06 -0.30 -0.04 2.63 2.24 1a9xC1 MET 2385 HG3 -0.03 -0.02 -0.05 -0.04 2.56 2.42 1a9xC1 MET 2385 HE3 -0.92 0.03 -0.31 -0.04 2.10 0.86 1a9xC1 ALA 2386 H 0.02 0.55 0.40 -0.55 8.40 8.82 1a9xC1 ALA 2386 HA 0.13 0.23 0.78 -0.75 4.34 4.72 1a9xC1 ALA 2386 HB3 0.05 0.04 -0.06 -0.04 1.41 1.40 1a9xC1 ILE 2387 H -0.02 0.29 0.22 -0.55 8.25 8.19 1a9xC1 ILE 2387 HA -0.23 0.26 0.97 -0.75 4.18 4.42 1a9xC1 ILE 2387 HB -0.67 -0.00 0.02 -0.04 1.89 1.20 1a9xC1 ILE 2387 HG12 -0.48 0.02 -0.19 -0.04 1.49 0.80 1a9xC1 ILE 2387 HG13 -0.38 -0.12 -0.31 -0.04 1.21 0.35 1a9xC1 ILE 2387 HG23 -1.40 -0.00 -0.17 -0.04 0.93 -0.68 1a9xC1 ILE 2387 HD13 -0.59 0.02 -0.14 -0.04 0.88 0.13 1a9xC1 GLY 2388 H -0.09 0.56 0.33 -0.55 8.43 8.68 1a9xC1 GLY 2388 HA2 0.10 0.25 0.75 -0.51 4.01 4.59 1a9xC1 GLY 2388 HA3 0.05 -0.05 0.24 -0.51 4.01 3.74 1a9xC1 ARG 2389 H 0.16 0.18 0.18 -0.55 8.46 8.42 1a9xC1 ARG 2389 HA 0.19 0.16 0.58 -0.75 4.34 4.52 1a9xC1 ARG 2389 HB2 0.13 -0.04 0.12 -0.04 1.90 2.07 1a9xC1 ARG 2389 HB3 0.12 0.04 0.07 -0.04 1.80 1.98 1a9xC1 ARG 2389 HG2 0.30 -0.02 -0.02 -0.04 1.67 1.89 1a9xC1 ARG 2389 HG3 0.13 -0.03 -0.01 -0.04 1.67 1.73 1a9xC1 ARG 2389 HD2 0.20 0.13 0.18 -0.04 3.22 3.69 1a9xC1 ARG 2389 HD3 0.25 0.01 0.03 -0.04 3.22 3.46 1a9xC1 THR 2390 H 0.09 0.04 -0.12 -0.55 8.28 7.75 1a9xC1 THR 2390 HA 0.10 0.35 0.93 -0.75 4.39 5.02 1a9xC1 THR 2390 HB 0.05 -0.08 0.11 -0.04 4.32 4.36 1a9xC1 THR 2390 HG23 0.06 0.04 -0.11 -0.04 1.22 1.17 1a9xC1 GLN 2391 H 0.13 0.23 0.10 -0.55 8.47 8.37 1a9xC1 GLN 2391 HA 0.17 0.14 0.34 -0.75 4.36 4.25 1a9xC1 GLN 2391 HB2 0.39 0.08 0.06 -0.04 2.15 2.64 1a9xC1 GLN 2391 HB3 -0.02 -0.02 0.09 -0.04 2.02 2.02 1a9xC1 GLN 2391 HG2 0.29 0.02 -0.09 -0.04 2.40 2.59 1a9xC1 GLN 2391 HG3 0.19 -0.02 -0.30 -0.04 2.39 2.21 1a9xC1 GLN 2391 HE21 0.20 0.08 -0.13 -0.04 6.97 7.08 1a9xC1 GLN 2391 HE22 0.16 -0.14 -0.02 -0.04 7.69 7.66 1a9xC1 GLN 2392 H 0.00 0.12 -0.10 -0.55 8.47 7.95 1a9xC1 GLN 2392 HA 0.02 0.04 0.33 -0.75 4.36 3.99 1a9xC1 GLN 2392 HB2 -0.02 -0.05 0.09 -0.04 2.15 2.14 1a9xC1 GLN 2392 HB3 -0.04 0.24 0.01 -0.04 2.02 2.19 1a9xC1 GLN 2392 HG2 -0.03 0.08 0.02 -0.04 2.40 2.43 1a9xC1 GLN 2392 HG3 -0.06 -0.12 0.02 -0.04 2.39 2.19 1a9xC1 GLN 2392 HE21 -0.05 -0.04 0.03 -0.04 6.97 6.87 1a9xC1 GLN 2392 HE22 -0.07 0.46 0.20 -0.04 7.69 8.23 1a9xC1 GLU 2393 H 0.03 0.01 -0.37 -0.55 8.60 7.73 1a9xC1 GLU 2393 HA -0.00 0.13 0.05 -0.75 4.29 3.72 1a9xC1 GLU 2393 HB2 0.06 0.23 0.05 -0.04 2.09 2.39 1a9xC1 GLU 2393 HB3 0.07 -0.19 0.11 -0.04 1.99 1.94 1a9xC1 GLU 2393 HG2 0.09 0.05 -0.10 -0.04 2.34 2.34 1a9xC1 GLU 2393 HG3 0.08 0.02 0.03 -0.04 2.34 2.43 1a9xC1 SER 2394 H 0.05 0.48 -0.20 -0.55 8.46 8.25 1a9xC1 SER 2394 HA 0.02 0.04 0.14 -0.75 4.49 3.94 1a9xC1 SER 2394 HB2 0.06 0.07 0.09 -0.04 3.95 4.13 1a9xC1 SER 2394 HB3 0.08 -0.00 0.06 -0.04 3.93 4.02 1a9xC1 LEU 2395 H 0.04 0.71 -0.09 -0.55 8.37 8.48 1a9xC1 LEU 2395 HA -0.05 -0.01 0.31 -0.75 4.35 3.85 1a9xC1 LEU 2395 HB2 0.04 -0.00 0.03 -0.04 1.64 1.67 1a9xC1 LEU 2395 HB3 0.04 0.12 0.08 -0.04 1.64 1.83 1a9xC1 LEU 2395 HG -0.05 -0.01 -0.29 -0.04 1.64 1.25 1a9xC1 LEU 2395 HD13 -0.23 -0.02 -0.04 -0.04 0.93 0.59 1a9xC1 LEU 2395 HD23 0.17 -0.01 -0.09 -0.04 0.89 0.91 1a9xC1 GLN 2396 H -0.03 0.56 -0.23 -0.55 8.47 8.22 1a9xC1 GLN 2396 HA -0.16 -0.09 0.43 -0.75 4.36 3.79 1a9xC1 GLN 2396 HB2 -0.10 0.14 0.15 -0.04 2.15 2.30 1a9xC1 GLN 2396 HB3 -0.13 0.04 -0.05 -0.04 2.02 1.84 1a9xC1 GLN 2396 HG2 -0.02 -0.17 -0.01 -0.04 2.40 2.16 1a9xC1 GLN 2396 HG3 -0.12 0.25 0.08 -0.04 2.39 2.55 1a9xC1 GLN 2396 HE21 -2.57 -0.12 -0.17 -0.04 6.97 4.07 1a9xC1 GLN 2396 HE22 -0.64 0.60 -0.03 -0.04 7.69 7.59 1a9xC1 LYS 2397 H -0.01 0.61 -0.12 -0.55 8.42 8.35 1a9xC1 LYS 2397 HA 0.02 -0.01 0.49 -0.75 4.32 4.07 1a9xC1 LYS 2397 HB2 0.04 0.11 0.13 -0.04 1.87 2.10 1a9xC1 LYS 2397 HB3 0.07 -0.07 0.04 -0.04 1.79 1.79 1a9xC1 LYS 2397 HG2 0.08 -0.10 0.06 -0.04 1.46 1.46 1a9xC1 LYS 2397 HG3 0.06 0.06 0.08 -0.04 1.46 1.62 1a9xC1 LYS 2397 HD2 0.11 -0.04 0.05 -0.04 1.69 1.78 1a9xC1 LYS 2397 HD3 0.08 0.06 0.02 -0.04 1.68 1.80 1a9xC1 LYS 2397 HE2 0.13 -0.08 0.13 -0.04 2.99 3.13 1a9xC1 LYS 2397 HE3 0.13 -0.09 0.07 -0.04 2.99 3.05 1a9xC1 ALA 2398 H -0.02 0.56 -0.35 -0.55 8.40 8.04 1a9xC1 ALA 2398 HA 0.02 0.03 0.18 -0.75 4.34 3.82 1a9xC1 ALA 2398 HB3 -0.04 0.02 -0.08 -0.04 1.41 1.26 1a9xC1 LEU 2399 H -0.11 0.55 -0.19 -0.55 8.37 8.07 1a9xC1 LEU 2399 HA -0.04 0.02 0.40 -0.75 4.35 3.97 1a9xC1 LEU 2399 HB2 -0.20 0.05 0.05 -0.04 1.64 1.51 1a9xC1 LEU 2399 HB3 -0.06 -0.08 -0.04 -0.04 1.64 1.42 1a9xC1 LEU 2399 HG -0.35 0.22 0.00 -0.04 1.64 1.47 1a9xC1 LEU 2399 HD13 -1.09 -0.02 -0.19 -0.04 0.93 -0.41 1a9xC1 LEU 2399 HD23 -0.64 -0.02 -0.06 -0.04 0.89 0.14 1a9xC1 ARG 2400 H -0.01 0.58 -0.20 -0.55 8.46 8.27 1a9xC1 ARG 2400 HA 0.04 0.19 0.46 -0.75 4.34 4.27 1a9xC1 ARG 2400 HB2 0.03 -0.08 0.17 -0.04 1.90 1.97 1a9xC1 ARG 2400 HB3 0.02 -0.02 -0.10 -0.04 1.80 1.66 1a9xC1 ARG 2400 HG2 0.02 0.21 0.10 -0.04 1.67 1.96 1a9xC1 ARG 2400 HG3 0.04 -0.01 -0.21 -0.04 1.67 1.44 1a9xC1 ARG 2400 HD2 0.04 -0.16 0.04 -0.04 3.22 3.09 1a9xC1 ARG 2400 HD3 0.04 0.05 0.02 -0.04 3.22 3.29 1a9xC1 GLY 2401 H 0.02 0.44 -0.67 -0.55 8.43 7.68 1a9xC1 GLY 2401 HA2 0.03 0.07 0.87 -0.51 4.01 4.47 1a9xC1 GLY 2401 HA3 0.03 0.04 0.30 -0.51 4.01 3.88 1a9xC1 LEU 2402 H 0.05 0.39 -0.15 -0.55 8.37 8.11 1a9xC1 LEU 2402 HA 0.03 0.05 0.42 -0.75 4.35 4.10 1a9xC1 LEU 2402 HB2 0.06 0.14 0.13 -0.04 1.64 1.93 1a9xC1 LEU 2402 HB3 0.13 0.01 0.11 -0.04 1.64 1.84 1a9xC1 LEU 2402 HG 0.12 -0.05 0.06 -0.04 1.64 1.73 1a9xC1 LEU 2402 HD13 0.05 0.02 -0.08 -0.04 0.93 0.87 1a9xC1 LEU 2402 HD23 0.31 -0.01 0.02 -0.04 0.89 1.17 1a9xC1 GLU 2403 H 0.03 0.13 -0.58 -0.55 8.60 7.63 1a9xC1 GLU 2403 HA 0.00 -0.03 0.26 -0.75 4.29 3.77 1a9xC1 GLU 2403 HB2 -0.01 0.15 -0.13 -0.04 2.09 2.06 1a9xC1 GLU 2403 HB3 -0.02 -0.05 0.18 -0.04 1.99 2.06 1a9xC1 GLU 2403 HG2 -0.00 0.18 -0.12 -0.04 2.34 2.36 1a9xC1 GLU 2403 HG3 -0.02 0.13 0.02 -0.04 2.34 2.44 1a9xC1 VAL 2404 H 0.03 0.04 -0.33 -0.55 8.24 7.43 1a9xC1 VAL 2404 HA -0.02 0.29 0.91 -0.75 4.13 4.56 1a9xC1 VAL 2404 HB -0.07 -0.00 0.17 -0.04 2.12 2.18 1a9xC1 VAL 2404 HG13 0.09 0.07 -0.04 -0.04 0.97 1.05 1a9xC1 VAL 2404 HG23 0.03 -0.03 -0.10 -0.04 0.95 0.82 1a9xC1 GLY 2405 H -0.02 0.09 -0.17 -0.55 8.43 7.78 1a9xC1 GLY 2405 HA2 -0.03 0.02 0.26 -0.51 4.01 3.74 1a9xC1 GLY 2405 HA3 -0.07 0.18 0.57 -0.51 4.01 4.18 1a9xC1 ALA 2406 H -0.02 -0.03 -0.28 -0.55 8.40 7.53 1a9xC1 ALA 2406 HA -0.03 0.10 0.55 -0.75 4.34 4.20 1a9xC1 ALA 2406 HB3 0.15 0.06 0.05 -0.04 1.41 1.63 1a9xC1 THR 2407 H 0.07 0.13 0.12 -0.55 8.28 8.05 1a9xC1 THR 2407 HA 0.04 0.18 0.74 -0.75 4.39 4.59 1a9xC1 THR 2407 HB 0.06 -0.22 0.02 -0.04 4.32 4.13 1a9xC1 THR 2407 HG23 0.02 0.06 -0.21 -0.04 1.22 1.05 1a9xC1 GLY 2408 H 0.11 0.12 0.03 -0.55 8.43 8.14 1a9xC1 GLY 2408 HA2 -0.11 0.10 0.21 -0.51 4.01 3.70 1a9xC1 GLY 2408 HA3 0.03 0.13 0.68 -0.51 4.01 4.34 1a9xC1 PHE 2409 H 0.26 0.20 0.01 -0.55 8.34 8.26 1a9xC1 PHE 2409 HA 0.32 0.15 0.57 -0.75 4.62 4.90 1a9xC1 PHE 2409 HB2 0.12 0.01 0.13 -0.04 3.15 3.38 1a9xC1 PHE 2409 HB3 0.14 0.03 0.11 -0.04 3.06 3.30 1a9xC1 PHE 2409 HD2 -0.06 0.02 -0.02 -0.04 7.28 7.19 1a9xC1 PHE 2409 HE2 -0.16 0.05 -0.07 -0.04 7.38 7.17 1a9xC1 PHE 2409 HZ -0.12 -0.01 -0.08 -0.04 7.32 7.07 1a9xC1 ASP 2410 H 0.29 0.28 -0.07 -0.55 8.40 8.35 1a9xC1 ASP 2410 HA 0.13 0.11 0.43 -0.75 4.63 4.54 1a9xC1 ASP 2410 HB2 -0.09 0.01 0.03 -0.04 2.71 2.62 1a9xC1 ASP 2410 HB3 -0.01 0.11 0.07 -0.04 2.70 2.83 1a9xC1 PRO 2411 HA 0.06 0.13 0.69 -0.51 4.44 4.80 1a9xC1 PRO 2411 HB2 0.01 0.05 -0.13 -0.04 2.28 2.16 1a9xC1 PRO 2411 HB3 0.05 0.03 0.06 -0.04 2.02 2.12 1a9xC1 PRO 2411 HG2 0.02 0.02 0.02 -0.04 2.03 2.04 1a9xC1 PRO 2411 HG3 0.05 0.05 0.03 -0.04 2.03 2.12 1a9xC1 PRO 2411 HD2 0.04 0.06 0.19 -0.04 3.68 3.92 1a9xC1 PRO 2411 HD3 0.09 0.20 0.16 -0.04 3.65 4.06 1a9xC1 LYS 2412 H -0.11 0.06 0.16 -0.55 8.42 7.98 1a9xC1 LYS 2412 HA -0.15 0.23 0.79 -0.75 4.32 4.44 1a9xC1 LYS 2412 HB2 -0.55 0.00 -0.02 -0.04 1.87 1.26 1a9xC1 LYS 2412 HB3 -0.64 -0.01 -0.15 -0.04 1.79 0.95 1a9xC1 LYS 2412 HG2 -0.22 -0.03 -0.04 -0.04 1.46 1.13 1a9xC1 LYS 2412 HG3 -0.24 0.08 -0.03 -0.04 1.46 1.23 1a9xC1 LYS 2412 HD2 -0.23 0.06 -0.13 -0.04 1.69 1.34 1a9xC1 LYS 2412 HD3 -0.35 -0.03 -0.08 -0.04 1.68 1.18 1a9xC1 LYS 2412 HE2 -0.89 0.00 -0.04 -0.04 2.99 2.02 1a9xC1 LYS 2412 HE3 -0.17 -0.08 -0.01 -0.04 2.99 2.68 1a9xC1 VAL 2413 H -0.05 0.12 0.12 -0.55 8.24 7.88 1a9xC1 VAL 2413 HA 0.02 0.20 0.87 -0.75 4.13 4.47 1a9xC1 VAL 2413 HB 0.06 0.03 0.04 -0.04 2.12 2.22 1a9xC1 VAL 2413 HG13 0.18 -0.00 -0.08 -0.04 0.97 1.03 1a9xC1 VAL 2413 HG23 0.07 -0.01 -0.03 -0.04 0.95 0.95 1a9xC1 SER 2414 H 0.02 0.10 0.09 -0.55 8.46 8.12 1a9xC1 SER 2414 HA 0.02 0.23 0.66 -0.75 4.49 4.64 1a9xC1 SER 2414 HB2 0.01 0.06 0.10 -0.04 3.95 4.09 1a9xC1 SER 2414 HB3 0.01 0.06 0.07 -0.04 3.93 4.03 1a9xC1 LEU 2415 H 0.02 0.17 0.16 -0.55 8.37 8.17 1a9xC1 LEU 2415 HA 0.03 0.18 0.46 -0.75 4.35 4.27 1a9xC1 LEU 2415 HB2 0.02 -0.04 0.13 -0.04 1.64 1.71 1a9xC1 LEU 2415 HB3 0.02 0.07 0.02 -0.04 1.64 1.71 1a9xC1 LEU 2415 HG 0.03 -0.05 0.05 -0.04 1.64 1.64 1a9xC1 LEU 2415 HD13 0.03 0.01 0.02 -0.04 0.93 0.95 1a9xC1 LEU 2415 HD23 0.04 0.02 -0.04 -0.04 0.89 0.86 1a9xC1 ASP 2416 H 0.02 0.02 -0.14 -0.55 8.40 7.75 1a9xC1 ASP 2416 HA 0.02 0.25 0.63 -0.75 4.63 4.78 1a9xC1 ASP 2416 HB2 0.01 0.01 0.17 -0.04 2.71 2.86 1a9xC1 ASP 2416 HB3 0.01 0.05 0.05 -0.04 2.70 2.77 1a9xC1 ASP 2417 H 0.02 0.34 -0.67 -0.55 8.40 7.54 1a9xC1 ASP 2417 HA 0.01 0.20 0.74 -0.75 4.63 4.84 1a9xC1 ASP 2417 HB2 0.02 -0.00 0.04 -0.04 2.71 2.72 1a9xC1 ASP 2417 HB3 0.03 0.18 0.15 -0.04 2.70 3.02 1a9xC1 PRO 2418 HA 0.01 0.14 0.35 -0.51 4.44 4.44 1a9xC1 PRO 2418 HB2 0.01 0.01 0.01 -0.04 2.28 2.27 1a9xC1 PRO 2418 HB3 0.01 0.05 0.12 -0.04 2.02 2.16 1a9xC1 PRO 2418 HG2 0.01 0.01 0.11 -0.04 2.03 2.11 1a9xC1 PRO 2418 HG3 0.01 0.09 0.11 -0.04 2.03 2.21 1a9xC1 PRO 2418 HD2 0.01 -0.00 0.27 -0.04 3.68 3.92 1a9xC1 PRO 2418 HD3 0.01 0.74 0.54 -0.04 3.65 4.89 1a9xC1 GLU 2419 H 0.01 0.05 -0.48 -0.55 8.60 7.63 1a9xC1 GLU 2419 HA 0.01 0.17 0.66 -0.75 4.29 4.38 1a9xC1 GLU 2419 HB2 0.01 -0.00 0.01 -0.04 2.09 2.07 1a9xC1 GLU 2419 HB3 0.01 -0.00 -0.01 -0.04 1.99 1.94 1a9xC1 GLU 2419 HG2 0.00 0.06 -0.05 -0.04 2.34 2.31 1a9xC1 GLU 2419 HG3 0.01 0.02 -0.06 -0.04 2.34 2.26 1a9xC1 ALA 2420 H 0.03 0.53 -0.20 -0.55 8.40 8.21 1a9xC1 ALA 2420 HA 0.05 -0.03 0.37 -0.75 4.34 3.97 1a9xC1 ALA 2420 HB3 0.05 0.03 0.08 -0.04 1.41 1.53 1a9xC1 LEU 2421 H 0.03 0.27 -0.25 -0.55 8.37 7.87 1a9xC1 LEU 2421 HA 0.03 0.05 0.29 -0.75 4.35 3.97 1a9xC1 LEU 2421 HB2 0.02 0.05 0.03 -0.04 1.64 1.70 1a9xC1 LEU 2421 HB3 0.01 -0.00 -0.02 -0.04 1.64 1.59 1a9xC1 LEU 2421 HG 0.03 0.01 0.02 -0.04 1.64 1.66 1a9xC1 LEU 2421 HD13 0.02 0.03 0.01 -0.04 0.93 0.95 1a9xC1 LEU 2421 HD23 0.03 0.01 -0.02 -0.04 0.89 0.86 1a9xC1 THR 2422 H 0.01 0.36 -0.48 -0.55 8.28 7.61 1a9xC1 THR 2422 HA -0.01 0.07 0.60 -0.75 4.39 4.30 1a9xC1 THR 2422 HB 0.00 0.18 0.16 -0.04 4.32 4.62 1a9xC1 THR 2422 HG23 -0.01 -0.01 -0.05 -0.04 1.22 1.11 1a9xC1 LYS 2423 H 0.01 0.33 -0.00 -0.55 8.42 8.20 1a9xC1 LYS 2423 HA -0.06 0.05 0.44 -0.75 4.32 3.99 1a9xC1 LYS 2423 HB2 0.07 0.06 0.12 -0.04 1.87 2.08 1a9xC1 LYS 2423 HB3 0.01 -0.00 0.05 -0.04 1.79 1.80 1a9xC1 LYS 2423 HG2 0.00 0.00 -0.01 -0.04 1.46 1.41 1a9xC1 LYS 2423 HG3 0.01 0.06 0.11 -0.04 1.46 1.59 1a9xC1 LYS 2423 HD2 0.04 -0.08 -0.49 -0.04 1.69 1.11 1a9xC1 LYS 2423 HD3 0.06 0.00 -0.03 -0.04 1.68 1.67 1a9xC1 LYS 2423 HE2 0.01 0.03 -0.05 -0.04 2.99 2.94 1a9xC1 LYS 2423 HE3 0.02 -0.07 -0.13 -0.04 2.99 2.76 1a9xC1 ILE 2424 H 0.04 0.76 -0.05 -0.55 8.25 8.45 1a9xC1 ILE 2424 HA 0.05 -0.03 0.26 -0.75 4.18 3.70 1a9xC1 ILE 2424 HB 0.04 0.05 0.06 -0.04 1.89 2.00 1a9xC1 ILE 2424 HG12 0.26 -0.06 -0.09 -0.04 1.49 1.56 1a9xC1 ILE 2424 HG13 0.16 0.05 -0.02 -0.04 1.21 1.36 1a9xC1 ILE 2424 HG23 0.05 0.00 -0.20 -0.04 0.93 0.74 1a9xC1 ILE 2424 HD13 0.07 -0.01 -0.27 -0.04 0.88 0.62 1a9xC1 ARG 2425 H -0.02 0.63 -0.21 -0.55 8.46 8.31 1a9xC1 ARG 2425 HA -0.03 -0.01 0.33 -0.75 4.34 3.87 1a9xC1 ARG 2425 HB2 -0.01 0.07 0.15 -0.04 1.90 2.07 1a9xC1 ARG 2425 HB3 -0.03 0.08 0.12 -0.04 1.80 1.94 1a9xC1 ARG 2425 HG2 -0.03 -0.02 -0.12 -0.04 1.67 1.45 1a9xC1 ARG 2425 HG3 -0.02 -0.03 0.04 -0.04 1.67 1.62 1a9xC1 ARG 2425 HD2 -0.01 -0.01 -0.01 -0.04 3.22 3.14 1a9xC1 ARG 2425 HD3 -0.02 0.01 -0.05 -0.04 3.22 3.11 1a9xC1 ARG 2426 H -0.08 0.43 -0.40 -0.55 8.46 7.86 1a9xC1 ARG 2426 HA -0.08 0.02 0.51 -0.75 4.34 4.03 1a9xC1 ARG 2426 HB2 -0.07 0.01 0.11 -0.04 1.90 1.91 1a9xC1 ARG 2426 HB3 -0.11 0.11 0.21 -0.04 1.80 1.97 1a9xC1 ARG 2426 HG2 -0.09 -0.03 0.04 -0.04 1.67 1.55 1a9xC1 ARG 2426 HG3 -0.08 -0.04 0.00 -0.04 1.67 1.51 1a9xC1 ARG 2426 HD2 -0.14 -0.04 -0.09 -0.04 3.22 2.90 1a9xC1 ARG 2426 HD3 -0.15 0.08 -0.77 -0.04 3.22 2.34 1a9xC1 GLU 2427 H -0.23 0.54 -0.05 -0.55 8.60 8.31 1a9xC1 GLU 2427 HA -0.21 0.13 0.34 -0.75 4.29 3.79 1a9xC1 GLU 2427 HB2 -0.57 0.10 0.02 -0.04 2.09 1.60 1a9xC1 GLU 2427 HB3 -0.46 -0.17 -0.02 -0.04 1.99 1.29 1a9xC1 GLU 2427 HG2 -0.54 0.17 0.04 -0.04 2.34 1.97 1a9xC1 GLU 2427 HG3 -2.03 -0.07 -0.08 -0.04 2.34 0.11 1a9xC1 LEU 2428 H -0.09 0.34 -0.55 -0.55 8.37 7.52 1a9xC1 LEU 2428 HA -0.01 0.01 0.48 -0.75 4.35 4.07 1a9xC1 LEU 2428 HB2 -0.04 0.14 0.05 -0.04 1.64 1.75 1a9xC1 LEU 2428 HB3 -0.04 -0.01 -0.21 -0.04 1.64 1.34 1a9xC1 LEU 2428 HG -0.03 -0.07 -0.07 -0.04 1.64 1.44 1a9xC1 LEU 2428 HD13 0.04 0.02 -0.30 -0.04 0.93 0.64 1a9xC1 LEU 2428 HD23 -0.05 -0.01 -0.12 -0.04 0.89 0.67 1a9xC1 LYS 2429 H -0.06 0.41 -0.06 -0.55 8.42 8.16 1a9xC1 LYS 2429 HA -0.04 0.21 0.48 -0.75 4.32 4.21 1a9xC1 LYS 2429 HB2 -0.05 0.06 0.19 -0.04 1.87 2.03 1a9xC1 LYS 2429 HB3 -0.06 -0.02 0.15 -0.04 1.79 1.83 1a9xC1 LYS 2429 HG2 -0.06 -0.03 -0.08 -0.04 1.46 1.25 1a9xC1 LYS 2429 HG3 -0.04 0.08 0.15 -0.04 1.46 1.61 1a9xC1 LYS 2429 HD2 -0.03 -0.03 0.03 -0.04 1.69 1.62 1a9xC1 LYS 2429 HD3 -0.05 -0.04 -0.00 -0.04 1.68 1.55 1a9xC1 LYS 2429 HE2 -0.03 0.00 0.02 -0.04 2.99 2.95 1a9xC1 LYS 2429 HE3 -0.04 -0.06 0.00 -0.04 2.99 2.85 1a9xC1 ASP 2430 H -0.07 0.57 -0.20 -0.55 8.40 8.15 1a9xC1 ASP 2430 HA -0.04 0.10 0.80 -0.75 4.63 4.74 1a9xC1 ASP 2430 HB2 -0.08 -0.00 0.15 -0.04 2.71 2.73 1a9xC1 ASP 2430 HB3 -0.07 -0.05 0.03 -0.04 2.70 2.58 1a9xC1 ALA 2431 H -0.02 0.22 -0.03 -0.55 8.40 8.02 1a9xC1 ALA 2431 HA -0.02 0.12 0.48 -0.75 4.34 4.16 1a9xC1 ALA 2431 HB3 0.02 0.04 0.10 -0.04 1.41 1.53 1a9xC1 GLY 2432 H -0.03 0.08 0.29 -0.55 8.43 8.23 1a9xC1 GLY 2432 HA2 -0.16 0.36 0.94 -0.51 4.01 4.63 1a9xC1 GLY 2432 HA3 -0.11 0.00 0.45 -0.51 4.01 3.84 1a9xC1 ALA 2433 H -0.12 0.24 0.21 -0.55 8.40 8.19 1a9xC1 ALA 2433 HA -0.33 0.18 0.51 -0.75 4.34 3.95 1a9xC1 ALA 2433 HB3 0.05 0.02 0.10 -0.04 1.41 1.54 1a9xC1 ASP 2434 H 0.15 0.05 -0.27 -0.55 8.40 7.78 1a9xC1 ASP 2434 HA 0.76 0.19 0.69 -0.75 4.63 5.52 1a9xC1 ASP 2434 HB2 0.31 0.02 0.01 -0.04 2.71 3.02 1a9xC1 ASP 2434 HB3 0.53 -0.00 0.02 -0.04 2.70 3.21 1a9xC1 ARG 2435 H 0.19 0.31 -0.27 -0.55 8.46 8.14 1a9xC1 ARG 2435 HA 0.28 0.07 0.24 -0.75 4.34 4.18 1a9xC1 ARG 2435 HB2 0.08 0.03 0.17 -0.04 1.90 2.14 1a9xC1 ARG 2435 HB3 0.11 0.02 0.05 -0.04 1.80 1.94 1a9xC1 ARG 2435 HG2 0.12 -0.09 -0.26 -0.04 1.67 1.40 1a9xC1 ARG 2435 HG3 0.10 -0.03 -0.06 -0.04 1.67 1.63 1a9xC1 ARG 2435 HD2 0.03 0.00 0.05 -0.04 3.22 3.26 1a9xC1 ARG 2435 HD3 0.02 0.18 0.11 -0.04 3.22 3.49 1a9xC1 ILE 2436 H -0.01 0.20 -0.24 -0.55 8.25 7.66 1a9xC1 ILE 2436 HA 0.02 0.05 0.37 -0.75 4.18 3.86 1a9xC1 ILE 2436 HB -0.32 0.03 0.08 -0.04 1.89 1.63 1a9xC1 ILE 2436 HG12 -0.55 0.04 -0.04 -0.04 1.49 0.90 1a9xC1 ILE 2436 HG13 -0.41 -0.01 -0.12 -0.04 1.21 0.64 1a9xC1 ILE 2436 HG23 -1.50 0.03 -0.04 -0.04 0.93 -0.62 1a9xC1 ILE 2436 HD13 -0.09 -0.01 -0.00 -0.04 0.88 0.74 1a9xC1 TRP 2437 H 0.23 0.31 -0.23 -0.55 7.97 7.73 1a9xC1 TRP 2437 HA 0.23 0.05 0.47 -0.75 4.62 4.61 1a9xC1 TRP 2437 HB2 -0.08 0.14 0.08 -0.04 3.23 3.33 1a9xC1 TRP 2437 HB3 -0.10 0.05 0.02 -0.04 3.23 3.16 1a9xC1 TRP 2437 HD1 0.02 0.01 0.05 -0.04 7.22 7.27 1a9xC1 TRP 2437 HE1 -0.15 0.20 0.15 -0.04 10.20 10.36 1a9xC1 TRP 2437 HE3 0.05 0.10 0.12 -0.04 7.59 7.82 1a9xC1 TRP 2437 HZ2 -0.08 -0.01 0.01 -0.04 7.44 7.32 1a9xC1 TRP 2437 HZ3 0.07 0.23 0.14 -0.04 7.13 7.53 1a9xC1 TRP 2437 HH2 0.02 0.04 0.03 -0.04 7.19 7.24 1a9xC1 TYR 2438 H 0.37 0.36 -0.27 -0.55 8.29 8.20 1a9xC1 TYR 2438 HA 0.13 0.02 0.57 -0.75 4.56 4.52 1a9xC1 TYR 2438 HB2 0.09 0.10 -0.02 -0.04 3.06 3.18 1a9xC1 TYR 2438 HB3 0.04 0.01 -0.07 -0.04 2.98 2.92 1a9xC1 TYR 2438 HD2 0.10 0.00 -0.23 -0.04 7.15 6.98 1a9xC1 TYR 2438 HE2 0.04 -0.03 -0.14 -0.04 6.85 6.69 1a9xC1 ILE 2439 H 0.14 0.43 -0.34 -0.55 8.25 7.94 1a9xC1 ILE 2439 HA -0.12 0.07 0.47 -0.75 4.18 3.86 1a9xC1 ILE 2439 HB 0.07 0.15 0.13 -0.04 1.89 2.20 1a9xC1 ILE 2439 HG12 -0.02 -0.02 -0.04 -0.04 1.49 1.37 1a9xC1 ILE 2439 HG13 0.09 0.19 -0.08 -0.04 1.21 1.36 1a9xC1 ILE 2439 HG23 -0.17 -0.03 -0.17 -0.04 0.93 0.52 1a9xC1 ILE 2439 HD13 0.18 -0.02 -0.09 -0.04 0.88 0.91 1a9xC1 ALA 2440 H 0.06 0.34 -0.13 -0.55 8.40 8.12 1a9xC1 ALA 2440 HA 0.02 0.03 0.37 -0.75 4.34 4.02 1a9xC1 ALA 2440 HB3 -0.06 0.04 0.06 -0.04 1.41 1.41 1a9xC1 ASP 2441 H 0.07 0.40 -0.25 -0.55 8.40 8.08 1a9xC1 ASP 2441 HA 0.06 0.04 0.32 -0.75 4.63 4.30 1a9xC1 ASP 2441 HB2 0.04 0.06 0.18 -0.04 2.71 2.95 1a9xC1 ASP 2441 HB3 0.07 -0.01 -0.02 -0.04 2.70 2.69 1a9xC1 ALA 2442 H -0.06 0.35 -0.61 -0.55 8.40 7.54 1a9xC1 ALA 2442 HA 0.00 0.05 0.50 -0.75 4.34 4.14 1a9xC1 ALA 2442 HB3 -0.19 0.04 0.04 -0.04 1.41 1.26 1a9xC1 PHE 2443 H -0.13 0.42 -0.11 -0.55 8.34 7.96 1a9xC1 PHE 2443 HA 0.02 0.16 0.47 -0.75 4.62 4.52 1a9xC1 PHE 2443 HB2 -0.02 0.08 0.16 -0.04 3.15 3.33 1a9xC1 PHE 2443 HB3 -0.01 -0.03 0.04 -0.04 3.06 3.02 1a9xC1 PHE 2443 HD2 -0.03 0.16 -0.12 -0.04 7.28 7.25 1a9xC1 PHE 2443 HE2 0.01 -0.07 -0.26 -0.04 7.38 7.01 1a9xC1 PHE 2443 HZ 0.03 -0.10 -0.06 -0.04 7.32 7.15 1a9xC1 ARG 2444 H 0.12 0.51 -0.17 -0.55 8.46 8.37 1a9xC1 ARG 2444 HA 0.09 0.02 0.35 -0.75 4.34 4.05 1a9xC1 ARG 2444 HB2 0.07 0.14 -0.00 -0.04 1.90 2.06 1a9xC1 ARG 2444 HB3 0.06 -0.04 -0.01 -0.04 1.80 1.78 1a9xC1 ARG 2444 HG2 0.08 -0.03 0.00 -0.04 1.67 1.68 1a9xC1 ARG 2444 HG3 0.09 0.17 -0.02 -0.04 1.67 1.88 1a9xC1 ARG 2444 HD2 0.07 -0.06 -0.08 -0.04 3.22 3.10 1a9xC1 ARG 2444 HD3 0.06 -0.01 -0.03 -0.04 3.22 3.20 1a9xC1 ALA 2445 H 0.07 0.19 -0.69 -0.55 8.40 7.43 1a9xC1 ALA 2445 HA 0.05 0.24 0.94 -0.75 4.34 4.81 1a9xC1 ALA 2445 HB3 0.04 -0.03 0.10 -0.04 1.41 1.48 1a9xC1 GLY 2446 H 0.09 0.39 -0.36 -0.55 8.43 8.01 1a9xC1 GLY 2446 HA2 0.06 -0.00 0.26 -0.51 4.01 3.82 1a9xC1 GLY 2446 HA3 0.05 0.17 0.86 -0.51 4.01 4.57 1a9xC1 LEU 2447 H 0.09 0.47 -0.02 -0.55 8.37 8.36 1a9xC1 LEU 2447 HA 0.07 0.04 0.45 -0.75 4.35 4.17 1a9xC1 LEU 2447 HB2 0.01 0.03 -0.09 -0.04 1.64 1.54 1a9xC1 LEU 2447 HB3 0.05 -0.04 -0.10 -0.04 1.64 1.51 1a9xC1 LEU 2447 HG 0.03 0.04 -0.08 -0.04 1.64 1.60 1a9xC1 LEU 2447 HD13 -0.01 -0.01 -0.08 -0.04 0.93 0.79 1a9xC1 LEU 2447 HD23 0.03 -0.01 -0.04 -0.04 0.89 0.83 1a9xC1 SER 2448 H 0.10 0.07 0.18 -0.55 8.46 8.26 1a9xC1 SER 2448 HA 0.15 0.28 0.70 -0.75 4.49 4.87 1a9xC1 SER 2448 HB2 0.07 -0.02 0.15 -0.04 3.95 4.11 1a9xC1 SER 2448 HB3 0.07 0.18 0.11 -0.04 3.93 4.25 1a9xC1 VAL 2449 H 0.11 0.22 0.16 -0.55 8.24 8.18 1a9xC1 VAL 2449 HA 0.46 0.11 0.39 -0.75 4.13 4.34 1a9xC1 VAL 2449 HB 0.04 -0.02 0.18 -0.04 2.12 2.28 1a9xC1 VAL 2449 HG13 0.08 0.01 -0.11 -0.04 0.97 0.91 1a9xC1 VAL 2449 HG23 -0.13 0.03 -0.01 -0.04 0.95 0.80 1a9xC1 ASP 2450 H 0.09 0.12 -0.07 -0.55 8.40 8.00 1a9xC1 ASP 2450 HA 0.11 0.08 0.33 -0.75 4.63 4.40 1a9xC1 ASP 2450 HB2 0.06 -0.05 0.03 -0.04 2.71 2.71 1a9xC1 ASP 2450 HB3 0.07 0.09 -0.09 -0.04 2.70 2.73 1a9xC1 GLY 2451 H 0.12 0.02 -0.51 -0.55 8.43 7.52 1a9xC1 GLY 2451 HA2 0.08 0.09 0.38 -0.51 4.01 4.06 1a9xC1 GLY 2451 HA3 0.08 0.02 0.24 -0.51 4.01 3.84 1a9xC1 VAL 2452 H 0.13 0.52 -0.07 -0.55 8.24 8.27 1a9xC1 VAL 2452 HA -0.01 0.06 0.42 -0.75 4.13 3.84 1a9xC1 VAL 2452 HB 0.14 0.02 0.14 -0.04 2.12 2.38 1a9xC1 VAL 2452 HG13 -0.09 -0.01 -0.07 -0.04 0.97 0.75 1a9xC1 VAL 2452 HG23 -0.26 0.03 -0.09 -0.04 0.95 0.59 1a9xC1 PHE 2453 H 0.26 0.72 -0.09 -0.55 8.34 8.67 1a9xC1 PHE 2453 HA 0.03 -0.00 0.28 -0.75 4.62 4.18 1a9xC1 PHE 2453 HB2 0.06 -0.07 0.05 -0.04 3.15 3.14 1a9xC1 PHE 2453 HB3 0.05 0.11 0.12 -0.04 3.06 3.30 1a9xC1 PHE 2453 HD2 0.04 0.14 -0.21 -0.04 7.28 7.20 1a9xC1 PHE 2453 HE2 0.03 -0.00 -0.16 -0.04 7.38 7.21 1a9xC1 PHE 2453 HZ 0.02 0.03 -0.04 -0.04 7.32 7.29 1a9xC1 ASN 2454 H 0.20 0.43 -0.27 -0.55 8.53 8.34 1a9xC1 ASN 2454 HA -0.01 0.02 0.44 -0.75 4.76 4.46 1a9xC1 ASN 2454 HB2 0.08 0.08 0.14 -0.04 2.88 3.14 1a9xC1 ASN 2454 HB3 0.06 -0.03 0.04 -0.04 2.79 2.82 1a9xC1 ASN 2454 HD21 0.11 -0.12 -0.05 -0.04 7.03 6.93 1a9xC1 ASN 2454 HD22 0.09 -0.06 -0.02 -0.04 7.74 7.71 1a9xC1 LEU 2455 H -0.03 0.32 -0.28 -0.55 8.37 7.84 1a9xC1 LEU 2455 HA -0.04 0.10 0.69 -0.75 4.35 4.33 1a9xC1 LEU 2455 HB2 -0.04 0.00 0.07 -0.04 1.64 1.64 1a9xC1 LEU 2455 HB3 -0.04 -0.03 -0.18 -0.04 1.64 1.34 1a9xC1 LEU 2455 HG -0.00 0.10 0.02 -0.04 1.64 1.71 1a9xC1 LEU 2455 HD13 -0.02 -0.03 -0.03 -0.04 0.93 0.81 1a9xC1 LEU 2455 HD23 -0.02 0.00 0.00 -0.04 0.89 0.84 1a9xC1 THR 2456 H -0.11 0.40 0.05 -0.55 8.28 8.07 1a9xC1 THR 2456 HA -0.07 0.36 0.78 -0.75 4.39 4.70 1a9xC1 THR 2456 HB -0.06 -0.07 0.05 -0.04 4.32 4.19 1a9xC1 THR 2456 HG23 -0.03 0.04 0.00 -0.04 1.22 1.19 1a9xC1 ASN 2457 H -0.45 0.62 0.04 -0.55 8.53 8.19 1a9xC1 ASN 2457 HA -0.92 0.07 0.33 -0.75 4.76 3.48 1a9xC1 ASN 2457 HB2 -0.10 0.10 0.01 -0.04 2.88 2.84 1a9xC1 ASN 2457 HB3 -0.11 0.07 0.32 -0.04 2.79 3.03 1a9xC1 ASN 2457 HD21 -0.10 -0.01 0.01 -0.04 7.03 6.88 1a9xC1 ASN 2457 HD22 -0.29 -0.07 0.07 -0.04 7.74 7.41 1a9xC1 ILE 2458 H -0.18 -0.01 -0.55 -0.55 8.25 6.96 1a9xC1 ILE 2458 HA -0.11 0.25 0.70 -0.75 4.18 4.26 1a9xC1 ILE 2458 HB -0.13 -0.10 0.00 -0.04 1.89 1.62 1a9xC1 ILE 2458 HG12 -0.34 0.13 -0.07 -0.04 1.49 1.17 1a9xC1 ILE 2458 HG13 -0.13 0.20 -0.10 -0.04 1.21 1.13 1a9xC1 ILE 2458 HG23 -0.74 0.02 -0.13 -0.04 0.93 0.05 1a9xC1 ILE 2458 HD13 -0.05 -0.03 -0.07 -0.04 0.88 0.69 1a9xC1 ASP 2459 H 0.17 0.25 0.19 -0.55 8.40 8.47 1a9xC1 ASP 2459 HA 0.36 0.08 0.34 -0.75 4.63 4.66 1a9xC1 ASP 2459 HB2 0.24 0.17 0.20 -0.04 2.71 3.28 1a9xC1 ASP 2459 HB3 0.30 -0.11 0.10 -0.04 2.70 2.95 1a9xC1 ARG 2460 H 0.12 0.22 0.17 -0.55 8.46 8.43 1a9xC1 ARG 2460 HA 0.16 0.05 0.37 -0.75 4.34 4.17 1a9xC1 ARG 2460 HB2 -0.01 0.04 0.10 -0.04 1.90 1.99 1a9xC1 ARG 2460 HB3 0.01 -0.01 0.04 -0.04 1.80 1.80 1a9xC1 ARG 2460 HG2 0.06 -0.03 -0.04 -0.04 1.67 1.62 1a9xC1 ARG 2460 HG3 -0.11 0.07 0.06 -0.04 1.67 1.65 1a9xC1 ARG 2460 HD2 -0.23 0.04 0.01 -0.04 3.22 3.00 1a9xC1 ARG 2460 HD3 -0.09 -0.03 -0.02 -0.04 3.22 3.04 1a9xC1 TRP 2461 H 0.21 0.09 -0.39 -0.55 7.97 7.33 1a9xC1 TRP 2461 HA -0.10 0.08 0.33 -0.75 4.62 4.17 1a9xC1 TRP 2461 HB2 -0.15 0.02 0.05 -0.04 3.23 3.11 1a9xC1 TRP 2461 HB3 -0.39 -0.01 -0.00 -0.04 3.23 2.79 1a9xC1 TRP 2461 HD1 -0.10 0.01 -0.01 -0.04 7.22 7.08 1a9xC1 TRP 2461 HE1 -0.08 0.04 -0.01 -0.04 10.20 10.11 1a9xC1 TRP 2461 HE3 -1.55 -0.01 -0.31 -0.04 7.59 5.68 1a9xC1 TRP 2461 HZ2 -0.05 0.04 -0.01 -0.04 7.44 7.37 1a9xC1 TRP 2461 HZ3 -0.08 0.02 -0.11 -0.04 7.13 6.92 1a9xC1 TRP 2461 HH2 0.00 -0.00 -0.04 -0.04 7.19 7.11 1a9xC1 PHE 2462 H 0.22 0.44 -0.32 -0.55 8.34 8.12 1a9xC1 PHE 2462 HA -0.01 0.14 0.55 -0.75 4.62 4.54 1a9xC1 PHE 2462 HB2 -0.03 0.12 -0.02 -0.04 3.15 3.17 1a9xC1 PHE 2462 HB3 0.40 -0.03 -0.09 -0.04 3.06 3.30 1a9xC1 PHE 2462 HD2 0.24 0.02 -0.02 -0.04 7.28 7.48 1a9xC1 PHE 2462 HE2 0.30 0.04 -0.06 -0.04 7.38 7.61 1a9xC1 PHE 2462 HZ 0.17 0.01 -0.13 -0.04 7.32 7.33 1a9xC1 LEU 2463 H 0.22 0.37 -0.06 -0.55 8.37 8.35 1a9xC1 LEU 2463 HA 0.28 0.04 0.39 -0.75 4.35 4.30 1a9xC1 LEU 2463 HB2 0.20 -0.02 0.09 -0.04 1.64 1.87 1a9xC1 LEU 2463 HB3 0.42 -0.04 0.01 -0.04 1.64 1.99 1a9xC1 LEU 2463 HG 0.18 0.16 -0.20 -0.04 1.64 1.74 1a9xC1 LEU 2463 HD13 0.23 -0.02 -0.10 -0.04 0.93 1.01 1a9xC1 LEU 2463 HD23 0.13 -0.01 -0.10 -0.04 0.89 0.87 1a9xC1 VAL 2464 H -0.02 0.74 -0.11 -0.55 8.24 8.31 1a9xC1 VAL 2464 HA -0.19 -0.01 0.44 -0.75 4.13 3.63 1a9xC1 VAL 2464 HB -0.14 -0.01 0.06 -0.04 2.12 1.98 1a9xC1 VAL 2464 HG13 -0.06 0.03 0.04 -0.04 0.97 0.94 1a9xC1 VAL 2464 HG23 -0.21 0.07 -0.06 -0.04 0.95 0.71 1a9xC1 GLN 2465 H -0.15 0.29 -0.48 -0.55 8.47 7.58 1a9xC1 GLN 2465 HA -0.16 0.04 0.46 -0.75 4.36 3.95 1a9xC1 GLN 2465 HB2 -0.12 0.15 0.12 -0.04 2.15 2.26 1a9xC1 GLN 2465 HB3 -0.14 -0.09 0.05 -0.04 2.02 1.80 1a9xC1 GLN 2465 HG2 -0.37 -0.04 0.01 -0.04 2.40 1.97 1a9xC1 GLN 2465 HG3 -0.59 0.23 0.11 -0.04 2.39 2.11 1a9xC1 GLN 2465 HE21 -2.54 -0.09 -0.03 -0.04 6.97 4.27 1a9xC1 GLN 2465 HE22 -2.21 0.38 0.06 -0.04 7.69 5.88 1a9xC1 ILE 2466 H 0.03 0.39 -0.18 -0.55 8.25 7.94 1a9xC1 ILE 2466 HA -0.16 0.05 0.48 -0.75 4.18 3.79 1a9xC1 ILE 2466 HB 0.26 0.09 0.12 -0.04 1.89 2.32 1a9xC1 ILE 2466 HG12 0.02 -0.02 -0.03 -0.04 1.49 1.42 1a9xC1 ILE 2466 HG13 0.18 0.12 -0.01 -0.04 1.21 1.47 1a9xC1 ILE 2466 HG23 -0.29 -0.01 -0.16 -0.04 0.93 0.42 1a9xC1 ILE 2466 HD13 0.32 -0.01 -0.08 -0.04 0.88 1.07 1a9xC1 GLU 2467 H -0.20 0.64 0.00 -0.55 8.60 8.50 1a9xC1 GLU 2467 HA -0.37 0.02 0.41 -0.75 4.29 3.60 1a9xC1 GLU 2467 HB2 -1.91 -0.01 0.10 -0.04 2.09 0.23 1a9xC1 GLU 2467 HB3 -0.52 0.09 0.17 -0.04 1.99 1.69 1a9xC1 GLU 2467 HG2 -0.31 0.00 -0.25 -0.04 2.34 1.74 1a9xC1 GLU 2467 HG3 -0.53 0.01 0.04 -0.04 2.34 1.82 1a9xC1 GLU 2468 H -0.16 0.53 -0.22 -0.55 8.60 8.20 1a9xC1 GLU 2468 HA -0.07 -0.01 0.43 -0.75 4.29 3.89 1a9xC1 GLU 2468 HB2 -0.09 -0.01 0.10 -0.04 2.09 2.04 1a9xC1 GLU 2468 HB3 -0.08 0.10 0.13 -0.04 1.99 2.10 1a9xC1 GLU 2468 HG2 0.01 0.02 -0.22 -0.04 2.34 2.11 1a9xC1 GLU 2468 HG3 -0.01 -0.04 0.04 -0.04 2.34 2.28 1a9xC1 LEU 2469 H -0.06 0.40 -0.29 -0.55 8.37 7.88 1a9xC1 LEU 2469 HA 0.20 0.04 0.47 -0.75 4.35 4.30 1a9xC1 LEU 2469 HB2 -0.12 0.12 0.15 -0.04 1.64 1.75 1a9xC1 LEU 2469 HB3 0.09 -0.08 0.05 -0.04 1.64 1.66 1a9xC1 LEU 2469 HG -0.04 0.30 0.18 -0.04 1.64 2.03 1a9xC1 LEU 2469 HD13 -0.02 -0.04 0.02 -0.04 0.93 0.85 1a9xC1 LEU 2469 HD23 -0.11 -0.02 0.02 -0.04 0.89 0.75 1a9xC1 VAL 2470 H -0.02 0.44 -0.21 -0.55 8.24 7.89 1a9xC1 VAL 2470 HA 0.08 0.01 0.44 -0.75 4.13 3.91 1a9xC1 VAL 2470 HB 0.01 0.23 0.21 -0.04 2.12 2.53 1a9xC1 VAL 2470 HG13 0.09 -0.02 -0.19 -0.04 0.97 0.81 1a9xC1 VAL 2470 HG23 0.05 0.02 0.05 -0.04 0.95 1.03 1a9xC1 ARG 2471 H -0.00 0.48 -0.05 -0.55 8.46 8.34 1a9xC1 ARG 2471 HA 0.02 0.05 0.50 -0.75 4.34 4.15 1a9xC1 ARG 2471 HB2 -0.00 0.06 0.08 -0.04 1.90 2.00 1a9xC1 ARG 2471 HB3 -0.01 -0.03 0.08 -0.04 1.80 1.80 1a9xC1 ARG 2471 HG2 -0.05 0.20 0.11 -0.04 1.67 1.89 1a9xC1 ARG 2471 HG3 -0.06 -0.05 -0.01 -0.04 1.67 1.50 1a9xC1 ARG 2471 HD2 -0.07 -0.03 -0.03 -0.04 3.22 3.05 1a9xC1 ARG 2471 HD3 -0.03 -0.02 -0.00 -0.04 3.22 3.13 1a9xC1 LEU 2472 H 0.07 0.51 -0.29 -0.55 8.37 8.11 1a9xC1 LEU 2472 HA 0.09 0.01 0.33 -0.75 4.35 4.03 1a9xC1 LEU 2472 HB2 0.18 0.16 0.15 -0.04 1.64 2.10 1a9xC1 LEU 2472 HB3 0.02 -0.06 -0.02 -0.04 1.64 1.54 1a9xC1 LEU 2472 HG 0.09 0.03 0.05 -0.04 1.64 1.77 1a9xC1 LEU 2472 HD13 0.18 -0.01 -0.06 -0.04 0.93 1.00 1a9xC1 LEU 2472 HD23 0.18 -0.02 -0.02 -0.04 0.89 1.00 1a9xC1 GLU 2473 H 0.08 0.40 -0.34 -0.55 8.60 8.20 1a9xC1 GLU 2473 HA -0.10 -0.01 0.41 -0.75 4.29 3.85 1a9xC1 GLU 2473 HB2 0.10 0.11 0.19 -0.04 2.09 2.45 1a9xC1 GLU 2473 HB3 0.07 -0.03 -0.04 -0.04 1.99 1.95 1a9xC1 GLU 2473 HG2 0.07 -0.07 -0.03 -0.04 2.34 2.27 1a9xC1 GLU 2473 HG3 0.35 0.22 0.03 -0.04 2.34 2.89 1a9xC1 GLU 2474 H 0.04 0.53 -0.18 -0.55 8.60 8.45 1a9xC1 GLU 2474 HA 0.03 0.02 0.44 -0.75 4.29 4.03 1a9xC1 GLU 2474 HB2 0.02 0.13 0.22 -0.04 2.09 2.42 1a9xC1 GLU 2474 HB3 0.02 -0.04 0.06 -0.04 1.99 1.99 1a9xC1 GLU 2474 HG2 0.04 -0.04 0.05 -0.04 2.34 2.35 1a9xC1 GLU 2474 HG3 0.04 0.13 0.10 -0.04 2.34 2.57 1a9xC1 LYS 2475 H 0.04 0.43 -0.33 -0.55 8.42 8.01 1a9xC1 LYS 2475 HA 0.01 0.02 0.44 -0.75 4.32 4.03 1a9xC1 LYS 2475 HB2 -0.01 -0.01 0.08 -0.04 1.87 1.89 1a9xC1 LYS 2475 HB3 0.12 0.17 0.15 -0.04 1.79 2.19 1a9xC1 LYS 2475 HG2 -0.06 0.01 -0.29 -0.04 1.46 1.09 1a9xC1 LYS 2475 HG3 -0.11 -0.04 0.02 -0.04 1.46 1.29 1a9xC1 LYS 2475 HD2 -0.22 -0.02 -0.01 -0.04 1.69 1.40 1a9xC1 LYS 2475 HD3 -0.29 0.00 -0.02 -0.04 1.68 1.33 1a9xC1 LYS 2475 HE2 -1.59 0.02 -0.05 -0.04 2.99 1.33 1a9xC1 LYS 2475 HE3 -0.47 -0.01 -0.02 -0.04 2.99 2.46 1a9xC1 VAL 2476 H 0.08 0.52 -0.07 -0.55 8.24 8.22 1a9xC1 VAL 2476 HA 0.20 0.00 0.33 -0.75 4.13 3.91 1a9xC1 VAL 2476 HB -0.07 0.12 0.12 -0.04 2.12 2.25 1a9xC1 VAL 2476 HG13 -0.07 -0.01 -0.29 -0.04 0.97 0.56 1a9xC1 VAL 2476 HG23 -0.26 0.01 -0.04 -0.04 0.95 0.61 1a9xC1 ALA 2477 H 0.02 0.61 -0.26 -0.55 8.40 8.22 1a9xC1 ALA 2477 HA 0.01 0.19 0.33 -0.75 4.34 4.12 1a9xC1 ALA 2477 HB3 0.02 0.01 0.10 -0.04 1.41 1.50 1a9xC1 GLU 2478 H 0.02 0.35 -0.29 -0.55 8.60 8.14 1a9xC1 GLU 2478 HA 0.01 0.03 0.51 -0.75 4.29 4.09 1a9xC1 GLU 2478 HB2 0.01 0.15 0.17 -0.04 2.09 2.37 1a9xC1 GLU 2478 HB3 -0.00 -0.02 0.07 -0.04 1.99 2.00 1a9xC1 GLU 2478 HG2 -0.00 -0.01 0.06 -0.04 2.34 2.35 1a9xC1 GLU 2478 HG3 0.00 -0.03 0.04 -0.04 2.34 2.32 1a9xC1 VAL 2479 H 0.04 0.58 -0.02 -0.55 8.24 8.29 1a9xC1 VAL 2479 HA 0.01 0.12 0.76 -0.75 4.13 4.27 1a9xC1 VAL 2479 HB 0.02 -0.11 0.15 -0.04 2.12 2.14 1a9xC1 VAL 2479 HG13 -0.03 0.04 0.01 -0.04 0.97 0.94 1a9xC1 VAL 2479 HG23 0.14 0.06 -0.11 -0.04 0.95 1.01 1a9xC1 GLY 2480 H 0.03 0.54 -0.21 -0.55 8.43 8.24 1a9xC1 GLY 2480 HA2 0.01 0.16 0.35 -0.51 4.01 4.03 1a9xC1 GLY 2480 HA3 0.02 0.02 0.38 -0.51 4.01 3.92 1a9xC1 ILE 2481 H 0.01 0.26 0.17 -0.55 8.25 8.14 1a9xC1 ILE 2481 HA 0.01 0.06 0.32 -0.75 4.18 3.80 1a9xC1 ILE 2481 HB -0.01 0.03 0.06 -0.04 1.89 1.93 1a9xC1 ILE 2481 HG12 -0.01 0.03 -0.03 -0.04 1.49 1.44 1a9xC1 ILE 2481 HG13 -0.01 -0.00 0.06 -0.04 1.21 1.21 1a9xC1 ILE 2481 HG23 0.00 0.01 -0.05 -0.04 0.93 0.85 1a9xC1 ILE 2481 HD13 -0.03 0.00 -0.11 -0.04 0.88 0.71 1a9xC1 THR 2482 H 0.02 0.07 -0.41 -0.55 8.28 7.42 1a9xC1 THR 2482 HA 0.03 0.06 0.47 -0.75 4.39 4.20 1a9xC1 THR 2482 HB 0.02 0.10 0.10 -0.04 4.32 4.50 1a9xC1 THR 2482 HG23 0.02 0.00 -0.12 -0.04 1.22 1.09 1a9xC1 GLY 2483 H 0.05 0.58 -0.30 -0.55 8.43 8.22 1a9xC1 GLY 2483 HA2 0.05 0.06 0.60 -0.51 4.01 4.21 1a9xC1 GLY 2483 HA3 0.07 -0.01 0.30 -0.51 4.01 3.86 1a9xC1 LEU 2484 H 0.09 0.38 -0.83 -0.55 8.37 7.47 1a9xC1 LEU 2484 HA 0.21 0.05 0.65 -0.75 4.35 4.51 1a9xC1 LEU 2484 HB2 0.05 0.12 0.14 -0.04 1.64 1.90 1a9xC1 LEU 2484 HB3 0.01 -0.07 0.04 -0.04 1.64 1.58 1a9xC1 LEU 2484 HG 0.03 0.20 -0.15 -0.04 1.64 1.68 1a9xC1 LEU 2484 HD13 -0.06 -0.02 -0.10 -0.04 0.93 0.71 1a9xC1 LEU 2484 HD23 -0.12 -0.01 -0.18 -0.04 0.89 0.54 1a9xC1 ASN 2485 H 0.16 0.33 -0.25 -0.55 8.53 8.22 1a9xC1 ASN 2485 HA 0.09 0.20 0.46 -0.75 4.76 4.76 1a9xC1 ASN 2485 HB2 -0.05 -0.11 0.14 -0.04 2.88 2.81 1a9xC1 ASN 2485 HB3 0.02 0.13 0.09 -0.04 2.79 2.99 1a9xC1 ASN 2485 HD21 0.03 0.01 0.09 -0.04 7.03 7.12 1a9xC1 ASN 2485 HD22 0.06 0.12 0.03 -0.04 7.74 7.91 1a9xC1 ALA 2486 H -0.43 0.19 0.15 -0.55 8.40 7.77 1a9xC1 ALA 2486 HA -0.38 0.15 0.33 -0.75 4.34 3.68 1a9xC1 ALA 2486 HB3 -0.93 0.05 0.11 -0.04 1.41 0.60 1a9xC1 ASP 2487 H -0.07 0.05 -0.26 -0.55 8.40 7.57 1a9xC1 ASP 2487 HA -0.02 0.22 0.57 -0.75 4.63 4.65 1a9xC1 ASP 2487 HB2 0.01 -0.03 0.03 -0.04 2.71 2.68 1a9xC1 ASP 2487 HB3 0.02 0.04 -0.03 -0.04 2.70 2.69 1a9xC1 PHE 2488 H 0.16 0.11 -0.12 -0.55 8.34 7.93 1a9xC1 PHE 2488 HA -0.03 0.06 0.45 -0.75 4.62 4.35 1a9xC1 PHE 2488 HB2 -0.03 -0.01 0.13 -0.04 3.15 3.19 1a9xC1 PHE 2488 HB3 -0.02 0.07 0.14 -0.04 3.06 3.20 1a9xC1 PHE 2488 HD2 -0.03 0.11 0.04 -0.04 7.28 7.36 1a9xC1 PHE 2488 HE2 -0.06 0.01 -0.11 -0.04 7.38 7.18 1a9xC1 PHE 2488 HZ -0.09 0.04 -0.07 -0.04 7.32 7.15 1a9xC1 LEU 2489 H 0.05 0.55 -0.26 -0.55 8.37 8.17 1a9xC1 LEU 2489 HA -0.27 -0.00 0.26 -0.75 4.35 3.58 1a9xC1 LEU 2489 HB2 0.08 0.15 -0.11 -0.04 1.64 1.72 1a9xC1 LEU 2489 HB3 0.10 0.08 -0.11 -0.04 1.64 1.68 1a9xC1 LEU 2489 HG -0.06 -0.04 -0.15 -0.04 1.64 1.35 1a9xC1 LEU 2489 HD13 -0.15 -0.03 -0.05 -0.04 0.93 0.67 1a9xC1 LEU 2489 HD23 0.05 0.03 -0.14 -0.04 0.89 0.79 1a9xC1 ARG 2490 H -0.01 0.37 -0.43 -0.55 8.46 7.84 1a9xC1 ARG 2490 HA -0.08 0.05 0.46 -0.75 4.34 4.02 1a9xC1 ARG 2490 HB2 0.01 0.06 0.10 -0.04 1.90 2.03 1a9xC1 ARG 2490 HB3 0.00 0.08 0.19 -0.04 1.80 2.04 1a9xC1 ARG 2490 HG2 0.03 -0.03 -0.23 -0.04 1.67 1.40 1a9xC1 ARG 2490 HG3 0.04 -0.06 0.00 -0.04 1.67 1.61 1a9xC1 ARG 2490 HD2 0.04 -0.05 -0.03 -0.04 3.22 3.14 1a9xC1 ARG 2490 HD3 0.07 0.05 -0.02 -0.04 3.22 3.28 1a9xC1 GLN 2491 H 0.01 0.43 -0.34 -0.55 8.47 8.02 1a9xC1 GLN 2491 HA 0.03 0.02 0.38 -0.75 4.36 4.04 1a9xC1 GLN 2491 HB2 0.10 0.05 0.13 -0.04 2.15 2.39 1a9xC1 GLN 2491 HB3 0.15 0.17 0.16 -0.04 2.02 2.46 1a9xC1 GLN 2491 HG2 0.09 -0.05 -0.07 -0.04 2.40 2.33 1a9xC1 GLN 2491 HG3 0.08 -0.03 0.02 -0.04 2.39 2.42 1a9xC1 GLN 2491 HE21 0.08 -0.02 -0.03 -0.04 6.97 6.96 1a9xC1 GLN 2491 HE22 0.07 -0.02 -0.03 -0.04 7.69 7.67 1a9xC1 LEU 2492 H -0.15 0.44 -0.30 -0.55 8.37 7.81 1a9xC1 LEU 2492 HA 0.09 0.02 0.37 -0.75 4.35 4.08 1a9xC1 LEU 2492 HB2 -0.28 0.14 0.09 -0.04 1.64 1.54 1a9xC1 LEU 2492 HB3 -0.29 -0.08 -0.08 -0.04 1.64 1.15 1a9xC1 LEU 2492 HG -0.63 0.18 -0.02 -0.04 1.64 1.14 1a9xC1 LEU 2492 HD13 -1.12 -0.02 -0.17 -0.04 0.93 -0.42 1a9xC1 LEU 2492 HD23 -0.52 -0.02 -0.09 -0.04 0.89 0.23 1a9xC1 LYS 2493 H -0.18 0.52 -0.15 -0.55 8.42 8.06 1a9xC1 LYS 2493 HA -0.23 0.11 0.37 -0.75 4.32 3.82 1a9xC1 LYS 2493 HB2 -0.69 0.12 0.09 -0.04 1.87 1.35 1a9xC1 LYS 2493 HB3 -1.93 -0.05 -0.06 -0.04 1.79 -0.29 1a9xC1 LYS 2493 HG2 -0.26 0.26 0.05 -0.04 1.46 1.47 1a9xC1 LYS 2493 HG3 -0.44 0.02 -0.07 -0.04 1.46 0.94 1a9xC1 LYS 2493 HD2 -0.14 -0.01 -0.13 -0.04 1.69 1.36 1a9xC1 LYS 2493 HD3 -0.13 -0.08 -0.11 -0.04 1.68 1.32 1a9xC1 LYS 2493 HE2 -0.16 0.03 -0.06 -0.04 2.99 2.76 1a9xC1 LYS 2493 HE3 -0.18 0.01 -0.03 -0.04 2.99 2.74 1a9xC1 ARG 2494 H -0.11 0.70 -0.21 -0.55 8.46 8.29 1a9xC1 ARG 2494 HA 0.08 -0.05 0.43 -0.75 4.34 4.06 1a9xC1 ARG 2494 HB2 0.03 0.14 0.16 -0.04 1.90 2.19 1a9xC1 ARG 2494 HB3 0.06 -0.11 0.05 -0.04 1.80 1.76 1a9xC1 ARG 2494 HG2 0.12 -0.02 0.14 -0.04 1.67 1.87 1a9xC1 ARG 2494 HG3 0.12 -0.00 0.11 -0.04 1.67 1.85 1a9xC1 ARG 2494 HD2 0.08 0.05 0.01 -0.04 3.22 3.32 1a9xC1 ARG 2494 HD3 0.05 -0.00 -0.08 -0.04 3.22 3.14 1a9xC1 LYS 2495 H 0.06 0.34 -0.79 -0.55 8.42 7.48 1a9xC1 LYS 2495 HA 0.03 0.01 0.67 -0.75 4.32 4.28 1a9xC1 LYS 2495 HB2 0.26 0.15 0.09 -0.04 1.87 2.32 1a9xC1 LYS 2495 HB3 0.01 -0.12 0.13 -0.04 1.79 1.77 1a9xC1 LYS 2495 HG2 0.09 0.24 -0.02 -0.04 1.46 1.73 1a9xC1 LYS 2495 HG3 0.19 -0.05 -0.03 -0.04 1.46 1.53 1a9xC1 LYS 2495 HD2 0.05 -0.06 -0.01 -0.04 1.69 1.63 1a9xC1 LYS 2495 HD3 0.04 -0.04 -0.03 -0.04 1.68 1.60 1a9xC1 LYS 2495 HE2 0.06 0.07 -0.05 -0.04 2.99 3.02 1a9xC1 LYS 2495 HE3 0.06 -0.01 -0.04 -0.04 2.99 2.95 1a9xC1 GLY 2496 H 0.01 0.62 -0.42 -0.55 8.43 8.10 1a9xC1 GLY 2496 HA2 0.02 0.02 0.27 -0.51 4.01 3.82 1a9xC1 GLY 2496 HA3 -0.07 0.06 0.48 -0.51 4.01 3.97 1a9xC1 PHE 2497 H 0.05 0.44 -0.22 -0.55 8.34 8.06 1a9xC1 PHE 2497 HA 0.02 -0.03 0.32 -0.75 4.62 4.18 1a9xC1 PHE 2497 HB2 -0.09 0.01 -0.20 -0.04 3.15 2.83 1a9xC1 PHE 2497 HB3 -0.04 -0.03 -0.17 -0.04 3.06 2.78 1a9xC1 PHE 2497 HD2 -0.01 0.11 0.01 -0.04 7.28 7.34 1a9xC1 PHE 2497 HE2 0.05 -0.02 -0.03 -0.04 7.38 7.33 1a9xC1 PHE 2497 HZ 0.04 0.12 0.06 -0.04 7.32 7.50 1a9xC1 ALA 2498 H 0.13 0.13 0.25 -0.55 8.40 8.36 1a9xC1 ALA 2498 HA 0.07 0.18 0.55 -0.75 4.34 4.39 1a9xC1 ALA 2498 HB3 0.06 -0.02 0.19 -0.04 1.41 1.60 1a9xC1 ASP 2499 H 0.05 0.21 0.16 -0.55 8.40 8.27 1a9xC1 ASP 2499 HA 0.00 0.16 0.34 -0.75 4.63 4.38 1a9xC1 ASP 2499 HB2 0.02 -0.08 0.07 -0.04 2.71 2.68 1a9xC1 ASP 2499 HB3 0.00 0.04 0.05 -0.04 2.70 2.76 1a9xC1 ALA 2500 H 0.04 0.08 -0.24 -0.55 8.40 7.74 1a9xC1 ALA 2500 HA 0.02 0.06 0.47 -0.75 4.34 4.13 1a9xC1 ALA 2500 HB3 0.03 0.03 0.06 -0.04 1.41 1.49 1a9xC1 ARG 2501 H 0.07 0.17 -0.26 -0.55 8.46 7.89 1a9xC1 ARG 2501 HA 0.08 0.10 0.43 -0.75 4.34 4.19 1a9xC1 ARG 2501 HB2 0.14 0.12 -0.03 -0.04 1.90 2.08 1a9xC1 ARG 2501 HB3 0.21 0.10 0.07 -0.04 1.80 2.13 1a9xC1 ARG 2501 HG2 0.36 -0.00 -0.12 -0.04 1.67 1.87 1a9xC1 ARG 2501 HG3 0.18 0.04 -0.25 -0.04 1.67 1.60 1a9xC1 ARG 2501 HD2 0.12 0.01 -0.13 -0.04 3.22 3.17 1a9xC1 ARG 2501 HD3 0.17 -0.17 -0.41 -0.04 3.22 2.78 1a9xC1 LEU 2502 H 0.04 0.39 -0.21 -0.55 8.37 8.05 1a9xC1 LEU 2502 HA -0.07 0.07 0.30 -0.75 4.35 3.89 1a9xC1 LEU 2502 HB2 -0.05 0.01 0.01 -0.04 1.64 1.57 1a9xC1 LEU 2502 HB3 -0.12 0.03 -0.06 -0.04 1.64 1.44 1a9xC1 LEU 2502 HG 0.00 0.11 -0.11 -0.04 1.64 1.59 1a9xC1 LEU 2502 HD13 -0.13 -0.00 -0.18 -0.04 0.93 0.58 1a9xC1 LEU 2502 HD23 -0.45 -0.00 -0.12 -0.04 0.89 0.27 1a9xC1 ALA 2503 H 0.00 0.57 -0.27 -0.55 8.40 8.15 1a9xC1 ALA 2503 HA -0.01 -0.02 0.20 -0.75 4.34 3.75 1a9xC1 ALA 2503 HB3 -0.00 0.05 -0.14 -0.04 1.41 1.28 1a9xC1 LYS 2504 H 0.02 0.41 -0.28 -0.55 8.42 8.01 1a9xC1 LYS 2504 HA 0.01 0.02 0.35 -0.75 4.32 3.95 1a9xC1 LYS 2504 HB2 0.03 0.06 0.21 -0.04 1.87 2.13 1a9xC1 LYS 2504 HB3 0.03 0.00 -0.07 -0.04 1.79 1.70 1a9xC1 LYS 2504 HG2 0.01 -0.01 0.04 -0.04 1.46 1.47 1a9xC1 LYS 2504 HG3 0.01 -0.02 0.06 -0.04 1.46 1.47 1a9xC1 LYS 2504 HD2 0.03 -0.03 -0.00 -0.04 1.69 1.65 1a9xC1 LYS 2504 HD3 0.01 0.01 -0.00 -0.04 1.68 1.65 1a9xC1 LYS 2504 HE2 0.01 -0.01 -0.01 -0.04 2.99 2.94 1a9xC1 LYS 2504 HE3 0.02 -0.08 -0.09 -0.04 2.99 2.80 1a9xC1 LEU 2505 H 0.01 0.44 -0.27 -0.55 8.37 8.00 1a9xC1 LEU 2505 HA 0.01 0.04 0.45 -0.75 4.35 4.11 1a9xC1 LEU 2505 HB2 -0.03 0.05 0.04 -0.04 1.64 1.66 1a9xC1 LEU 2505 HB3 -0.01 -0.01 -0.12 -0.04 1.64 1.45 1a9xC1 LEU 2505 HG 0.04 -0.00 -0.02 -0.04 1.64 1.61 1a9xC1 LEU 2505 HD13 -0.02 -0.03 -0.09 -0.04 0.93 0.75 1a9xC1 LEU 2505 HD23 0.04 0.02 -0.04 -0.04 0.89 0.87 1a9xC1 ALA 2506 H -0.01 0.50 -0.24 -0.55 8.40 8.10 1a9xC1 ALA 2506 HA -0.00 0.15 0.58 -0.75 4.34 4.31 1a9xC1 ALA 2506 HB3 -0.02 -0.06 -0.05 -0.04 1.41 1.25 1a9xC1 GLY 2507 H 0.00 0.31 -0.46 -0.55 8.43 7.74 1a9xC1 GLY 2507 HA2 0.00 0.01 0.29 -0.51 4.01 3.81 1a9xC1 GLY 2507 HA3 0.00 0.04 0.44 -0.51 4.01 3.98 1a9xC1 VAL 2508 H -0.00 0.51 0.01 -0.55 8.24 8.21 1a9xC1 VAL 2508 HA -0.00 0.17 0.80 -0.75 4.13 4.34 1a9xC1 VAL 2508 HB -0.01 -0.12 0.09 -0.04 2.12 2.04 1a9xC1 VAL 2508 HG13 -0.01 0.05 -0.24 -0.04 0.97 0.73 1a9xC1 VAL 2508 HG23 -0.01 -0.00 -0.20 -0.04 0.95 0.69 1a9xC1 ARG 2509 H -0.01 0.14 0.13 -0.55 8.46 8.18 1a9xC1 ARG 2509 HA -0.00 0.16 0.57 -0.75 4.34 4.32 1a9xC1 ARG 2509 HB2 -0.01 0.08 0.16 -0.04 1.90 2.09 1a9xC1 ARG 2509 HB3 -0.01 -0.19 -0.01 -0.04 1.80 1.55 1a9xC1 ARG 2509 HG2 -0.00 -0.01 0.06 -0.04 1.67 1.67 1a9xC1 ARG 2509 HG3 -0.00 0.06 0.06 -0.04 1.67 1.75 1a9xC1 ARG 2509 HD2 -0.00 0.06 0.00 -0.04 3.22 3.24 1a9xC1 ARG 2509 HD3 -0.00 0.01 0.02 -0.04 3.22 3.21 1a9xC1 GLU 2510 H -0.00 0.22 0.17 -0.55 8.60 8.45 1a9xC1 GLU 2510 HA -0.00 0.15 0.29 -0.75 4.29 3.97 1a9xC1 GLU 2510 HB2 0.01 0.07 0.12 -0.04 2.09 2.24 1a9xC1 GLU 2510 HB3 0.00 0.03 0.09 -0.04 1.99 2.06 1a9xC1 GLU 2510 HG2 0.01 0.04 -0.33 -0.04 2.34 2.01 1a9xC1 GLU 2510 HG3 0.01 -0.12 -0.25 -0.04 2.34 1.95 1a9xC1 ALA 2511 H -0.00 0.12 -0.25 -0.55 8.40 7.72 1a9xC1 ALA 2511 HA -0.00 0.07 0.40 -0.75 4.34 4.05 1a9xC1 ALA 2511 HB3 -0.00 0.04 0.03 -0.04 1.41 1.44 1a9xC1 GLU 2512 H -0.01 0.42 -0.41 -0.55 8.60 8.05 1a9xC1 GLU 2512 HA -0.03 0.09 0.44 -0.75 4.29 4.04 1a9xC1 GLU 2512 HB2 -0.02 0.14 0.05 -0.04 2.09 2.22 1a9xC1 GLU 2512 HB3 -0.02 0.04 0.03 -0.04 1.99 1.99 1a9xC1 GLU 2512 HG2 -0.01 -0.12 0.05 -0.04 2.34 2.22 1a9xC1 GLU 2512 HG3 -0.01 0.03 0.05 -0.04 2.34 2.37 1a9xC1 ILE 2513 H -0.02 0.31 -0.18 -0.55 8.25 7.81 1a9xC1 ILE 2513 HA -0.06 0.13 0.49 -0.75 4.18 3.98 1a9xC1 ILE 2513 HB -0.02 0.03 0.15 -0.04 1.89 2.01 1a9xC1 ILE 2513 HG12 -0.02 0.00 -0.04 -0.04 1.49 1.39 1a9xC1 ILE 2513 HG13 -0.03 0.04 -0.01 -0.04 1.21 1.18 1a9xC1 ILE 2513 HG23 -0.05 -0.00 -0.09 -0.04 0.93 0.75 1a9xC1 ILE 2513 HD13 -0.05 0.02 -0.17 -0.04 0.88 0.64 1a9xC1 ARG 2514 H -0.02 0.38 -0.04 -0.55 8.46 8.23 1a9xC1 ARG 2514 HA -0.01 0.06 0.43 -0.75 4.34 4.07 1a9xC1 ARG 2514 HB2 0.01 0.00 0.08 -0.04 1.90 1.95 1a9xC1 ARG 2514 HB3 0.00 0.00 0.08 -0.04 1.80 1.84 1a9xC1 ARG 2514 HG2 0.03 0.07 -0.13 -0.04 1.67 1.60 1a9xC1 ARG 2514 HG3 0.05 0.01 0.05 -0.04 1.67 1.74 1a9xC1 ARG 2514 HD2 0.04 0.08 -0.03 -0.04 3.22 3.26 1a9xC1 ARG 2514 HD3 0.03 0.00 -0.03 -0.04 3.22 3.18 1a9xC1 LYS 2515 H -0.04 0.43 -0.31 -0.55 8.42 7.94 1a9xC1 LYS 2515 HA -0.03 0.05 0.44 -0.75 4.32 4.03 1a9xC1 LYS 2515 HB2 -0.05 0.08 0.19 -0.04 1.87 2.05 1a9xC1 LYS 2515 HB3 -0.05 -0.01 -0.03 -0.04 1.79 1.66 1a9xC1 LYS 2515 HG2 -0.02 -0.00 0.04 -0.04 1.46 1.44 1a9xC1 LYS 2515 HG3 -0.02 0.10 0.05 -0.04 1.46 1.55 1a9xC1 LYS 2515 HD2 -0.02 -0.03 -0.02 -0.04 1.69 1.58 1a9xC1 LYS 2515 HD3 -0.02 0.00 -0.01 -0.04 1.68 1.61 1a9xC1 LYS 2515 HE2 -0.01 -0.01 -0.04 -0.04 2.99 2.89 1a9xC1 LYS 2515 HE3 -0.01 0.04 -0.03 -0.04 2.99 2.95 1a9xC1 LEU 2516 H -0.12 0.37 -0.20 -0.55 8.37 7.88 1a9xC1 LEU 2516 HA -0.35 0.02 0.46 -0.75 4.35 3.73 1a9xC1 LEU 2516 HB2 -0.16 0.13 0.23 -0.04 1.64 1.80 1a9xC1 LEU 2516 HB3 -0.21 0.09 0.09 -0.04 1.64 1.57 1a9xC1 LEU 2516 HG -0.64 -0.02 -0.03 -0.04 1.64 0.91 1a9xC1 LEU 2516 HD13 -0.31 -0.01 0.06 -0.04 0.93 0.63 1a9xC1 LEU 2516 HD23 -0.05 0.02 0.04 -0.04 0.89 0.86 1a9xC1 ARG 2517 H -0.13 0.41 -0.33 -0.55 8.46 7.86 1a9xC1 ARG 2517 HA -0.12 0.01 0.47 -0.75 4.34 3.95 1a9xC1 ARG 2517 HB2 -0.07 0.06 0.13 -0.04 1.90 1.98 1a9xC1 ARG 2517 HB3 -0.16 0.31 0.14 -0.04 1.80 2.06 1a9xC1 ARG 2517 HG2 -0.04 -0.06 -0.03 -0.04 1.67 1.49 1a9xC1 ARG 2517 HG3 -0.06 0.08 0.00 -0.04 1.67 1.66 1a9xC1 ARG 2517 HD2 0.04 0.28 0.03 -0.04 3.22 3.52 1a9xC1 ARG 2517 HD3 -0.05 -0.09 -0.06 -0.04 3.22 2.98 1a9xC1 ASP 2518 H -0.07 0.34 -0.26 -0.55 8.40 7.86 1a9xC1 ASP 2518 HA 0.11 0.06 0.39 -0.75 4.63 4.43 1a9xC1 ASP 2518 HB2 0.00 0.05 0.21 -0.04 2.71 2.93 1a9xC1 ASP 2518 HB3 0.05 -0.01 -0.01 -0.04 2.70 2.68 1a9xC1 GLN 2519 H -0.12 0.50 -0.19 -0.55 8.47 8.11 1a9xC1 GLN 2519 HA 0.01 0.03 0.39 -0.75 4.36 4.04 1a9xC1 GLN 2519 HB2 -0.30 0.13 0.23 -0.04 2.15 2.17 1a9xC1 GLN 2519 HB3 -0.11 -0.03 -0.11 -0.04 2.02 1.72 1a9xC1 GLN 2519 HG2 -0.01 -0.03 0.05 -0.04 2.40 2.37 1a9xC1 GLN 2519 HG3 -0.06 0.01 0.02 -0.04 2.39 2.32 1a9xC1 GLN 2519 HE21 -0.08 -0.04 -0.03 -0.04 6.97 6.78 1a9xC1 GLN 2519 HE22 -0.08 0.00 -0.09 -0.04 7.69 7.48 1a9xC1 TYR 2520 H -0.10 0.43 -0.16 -0.55 8.29 7.91 1a9xC1 TYR 2520 HA 0.00 0.06 0.60 -0.75 4.56 4.47 1a9xC1 TYR 2520 HB2 -0.04 0.03 0.03 -0.04 3.06 3.03 1a9xC1 TYR 2520 HB3 -0.01 -0.05 0.03 -0.04 2.98 2.90 1a9xC1 TYR 2520 HD2 -0.02 0.01 -0.14 -0.04 7.15 6.97 1a9xC1 TYR 2520 HE2 -0.01 0.05 -0.16 -0.04 6.85 6.69 1a9xC1 ASP 2521 H 0.08 0.27 -0.74 -0.55 8.40 7.46 1a9xC1 ASP 2521 HA 0.14 0.06 0.27 -0.75 4.63 4.35 1a9xC1 ASP 2521 HB2 0.11 0.01 -0.14 -0.04 2.71 2.65 1a9xC1 ASP 2521 HB3 0.09 0.13 0.10 -0.04 2.70 2.98 1a9xC1 LEU 2522 H -0.20 0.70 -0.02 -0.55 8.37 8.31 1a9xC1 LEU 2522 HA 0.04 0.15 0.80 -0.75 4.35 4.60 1a9xC1 LEU 2522 HB2 0.11 0.02 -0.10 -0.04 1.64 1.63 1a9xC1 LEU 2522 HB3 0.00 -0.10 0.16 -0.04 1.64 1.66 1a9xC1 LEU 2522 HG 0.11 -0.03 -0.17 -0.04 1.64 1.51 1a9xC1 LEU 2522 HD13 0.11 0.02 -0.03 -0.04 0.93 0.99 1a9xC1 LEU 2522 HD23 0.01 -0.00 -0.22 -0.04 0.89 0.64 1a9xC1 HIS 2523 H 0.08 0.34 0.05 -0.55 8.41 8.33 1a9xC1 HIS 2523 HA 0.08 0.11 0.84 -0.75 4.63 4.91 1a9xC1 HIS 2523 HB2 0.00 0.03 -0.05 -0.04 3.26 3.20 1a9xC1 HIS 2523 HB3 -0.02 0.07 0.04 -0.04 3.20 3.24 1a9xC1 HIS 2523 HD2 0.05 0.06 -0.24 -0.04 6.97 6.79 1a9xC1 HIS 2523 HE1 0.03 -0.06 -0.14 -0.04 7.75 7.54 1a9xC1 PRO 2524 HA -0.87 0.13 0.67 -0.51 4.44 3.86 1a9xC1 PRO 2524 HB2 -0.66 0.07 0.09 -0.04 2.28 1.74 1a9xC1 PRO 2524 HB3 -1.11 -0.10 -0.09 -0.04 2.02 0.68 1a9xC1 PRO 2524 HG2 -0.32 0.04 -0.08 -0.04 2.03 1.63 1a9xC1 PRO 2524 HG3 -0.21 -0.05 -0.02 -0.04 2.03 1.72 1a9xC1 PRO 2524 HD2 0.03 0.11 0.16 -0.04 3.68 3.93 1a9xC1 PRO 2524 HD3 -0.04 0.08 0.13 -0.04 3.65 3.78 1a9xC1 VAL 2525 H -0.37 0.58 0.43 -0.55 8.24 8.34 1a9xC1 VAL 2525 HA -0.14 0.21 0.86 -0.75 4.13 4.32 1a9xC1 VAL 2525 HB -0.06 -0.13 -0.11 -0.04 2.12 1.77 1a9xC1 VAL 2525 HG13 -0.05 0.07 -0.33 -0.04 0.97 0.62 1a9xC1 VAL 2525 HG23 -0.12 -0.05 -0.36 -0.04 0.95 0.38 1a9xC1 TYR 2526 H 0.05 0.05 0.20 -0.55 8.29 8.03 1a9xC1 TYR 2526 HA -0.16 0.37 1.04 -0.75 4.56 5.05 1a9xC1 TYR 2526 HB2 0.01 -0.14 0.05 -0.04 3.06 2.94 1a9xC1 TYR 2526 HB3 -0.03 0.08 -0.12 -0.04 2.98 2.88 1a9xC1 TYR 2526 HD2 0.09 -0.06 -0.30 -0.04 7.15 6.84 1a9xC1 TYR 2526 HE2 0.02 0.04 -0.19 -0.04 6.85 6.68 1a9xC1 LYS 2527 H -0.60 0.60 0.30 -0.55 8.42 8.17 1a9xC1 LYS 2527 HA -0.14 0.17 0.87 -0.75 4.32 4.47 1a9xC1 LYS 2527 HB2 -0.69 -0.01 -0.03 -0.04 1.87 1.09 1a9xC1 LYS 2527 HB3 -0.09 0.01 0.10 -0.04 1.79 1.78 1a9xC1 LYS 2527 HG2 -0.24 -0.06 -0.23 -0.04 1.46 0.89 1a9xC1 LYS 2527 HG3 -0.04 -0.02 -0.07 -0.04 1.46 1.29 1a9xC1 LYS 2527 HD2 -0.04 0.01 -0.00 -0.04 1.69 1.62 1a9xC1 LYS 2527 HD3 -0.08 0.11 -0.18 -0.04 1.68 1.48 1a9xC1 LYS 2527 HE2 -0.02 -0.14 -0.08 -0.04 2.99 2.70 1a9xC1 LYS 2527 HE3 0.02 -0.02 -0.02 -0.04 2.99 2.93 1a9xC1 ARG 2528 H -0.04 0.14 0.14 -0.55 8.46 8.14 1a9xC1 ARG 2528 HA -0.07 0.33 1.16 -0.75 4.34 5.02 1a9xC1 ARG 2528 HB2 0.01 -0.10 0.01 -0.04 1.90 1.78 1a9xC1 ARG 2528 HB3 -0.00 0.16 0.08 -0.04 1.80 2.01 1a9xC1 ARG 2528 HG2 -0.04 -0.01 -0.27 -0.04 1.67 1.31 1a9xC1 ARG 2528 HG3 -0.02 -0.11 -0.14 -0.04 1.67 1.36 1a9xC1 ARG 2528 HD2 -0.00 -0.06 -0.03 -0.04 3.22 3.09 1a9xC1 ARG 2528 HD3 -0.01 0.19 0.07 -0.04 3.22 3.43 1a9xC1 VAL 2529 H -0.13 0.72 0.32 -0.55 8.24 8.61 1a9xC1 VAL 2529 HA 0.08 -0.00 0.60 -0.75 4.13 4.05 1a9xC1 VAL 2529 HB -0.63 0.01 0.10 -0.04 2.12 1.57 1a9xC1 VAL 2529 HG13 -0.01 -0.01 -0.28 -0.04 0.97 0.63 1a9xC1 VAL 2529 HG23 -0.79 0.02 -0.12 -0.04 0.95 0.02 1a9xC1 ASP 2530 H 0.16 -0.05 0.21 -0.55 8.40 8.17 1a9xC1 ASP 2530 HA 0.06 0.27 0.78 -0.75 4.63 4.99 1a9xC1 ASP 2530 HB2 0.08 0.09 0.06 -0.04 2.71 2.90 1a9xC1 ASP 2530 HB3 0.06 0.17 -0.38 -0.04 2.70 2.51 1a9xC1 THR 2531 H 0.16 0.06 0.20 -0.55 8.28 8.15 1a9xC1 THR 2531 HA 0.20 0.16 0.44 -0.75 4.39 4.44 1a9xC1 THR 2531 HB 0.50 -0.06 0.07 -0.04 4.32 4.78 1a9xC1 THR 2531 HG23 0.25 -0.02 -0.42 -0.04 1.22 0.99 1a9xC1 CYS 2532 H 0.16 0.00 -0.67 -0.55 8.50 7.44 1a9xC1 CYS 2532 HA 0.21 0.29 1.22 -0.75 4.58 5.54 1a9xC1 CYS 2532 HB2 0.26 -0.04 0.17 -0.04 2.97 3.32 1a9xC1 CYS 2532 HB3 0.30 0.11 -0.09 -0.04 2.97 3.25 1a9xC1 ALA 2533 H 0.06 0.09 0.07 -0.55 8.40 8.08 1a9xC1 ALA 2533 HA 0.02 -0.06 0.28 -0.75 4.34 3.83 1a9xC1 ALA 2533 HB3 -0.01 0.05 -0.15 -0.04 1.41 1.26 1a9xC1 ALA 2534 H 0.06 -0.04 -0.28 -0.55 8.40 7.60 1a9xC1 ALA 2534 HA 0.02 0.11 0.19 -0.75 4.34 3.91 1a9xC1 ALA 2534 HB3 0.01 0.03 -0.00 -0.04 1.41 1.41 1a9xC1 GLU 2535 H -0.06 0.39 -0.35 -0.55 8.60 8.04 1a9xC1 GLU 2535 HA -0.28 0.07 0.45 -0.75 4.29 3.78 1a9xC1 GLU 2535 HB2 -0.18 0.04 0.08 -0.04 2.09 1.98 1a9xC1 GLU 2535 HB3 -0.31 -0.00 0.09 -0.04 1.99 1.72 1a9xC1 GLU 2535 HG2 -1.43 -0.01 -0.07 -0.04 2.34 0.79 1a9xC1 GLU 2535 HG3 -0.41 -0.02 0.11 -0.04 2.34 1.97 1a9xC1 PHE 2536 H -0.03 0.01 -0.23 -0.55 8.34 7.55 1a9xC1 PHE 2536 HA -0.02 0.19 0.87 -0.75 4.62 4.91 1a9xC1 PHE 2536 HB2 -0.05 -0.02 -0.06 -0.04 3.15 2.98 1a9xC1 PHE 2536 HB3 -0.04 0.07 0.05 -0.04 3.06 3.10 1a9xC1 PHE 2536 HD2 -0.05 -0.02 -0.04 -0.04 7.28 7.13 1a9xC1 PHE 2536 HE2 -0.05 0.00 -0.05 -0.04 7.38 7.24 1a9xC1 PHE 2536 HZ -0.04 -0.01 -0.05 -0.04 7.32 7.18 1a9xC1 ALA 2537 H 0.12 0.10 0.10 -0.55 8.40 8.18 1a9xC1 ALA 2537 HA 0.04 0.10 0.56 -0.75 4.34 4.29 1a9xC1 ALA 2537 HB3 0.03 0.02 0.08 -0.04 1.41 1.50 1a9xC1 THR 2538 H 0.03 0.23 0.23 -0.55 8.28 8.22 1a9xC1 THR 2538 HA 0.01 0.20 0.94 -0.75 4.39 4.79 1a9xC1 THR 2538 HB 0.03 0.03 0.04 -0.04 4.32 4.38 1a9xC1 THR 2538 HG23 0.02 0.01 -0.01 -0.04 1.22 1.21 1a9xC1 ASP 2539 H -0.01 0.13 0.25 -0.55 8.40 8.23 1a9xC1 ASP 2539 HA 0.00 0.20 0.80 -0.75 4.63 4.87 1a9xC1 ASP 2539 HB2 -0.00 -0.01 0.04 -0.04 2.71 2.69 1a9xC1 ASP 2539 HB3 0.00 0.02 0.13 -0.04 2.70 2.81 1a9xC1 THR 2540 H -0.01 0.01 0.21 -0.55 8.28 7.94 1a9xC1 THR 2540 HA 0.00 0.18 0.72 -0.75 4.39 4.55 1a9xC1 THR 2540 HB -0.05 0.02 0.15 -0.04 4.32 4.41 1a9xC1 THR 2540 HG23 -0.07 -0.00 -0.08 -0.04 1.22 1.03 1a9xC1 ALA 2541 H 0.02 0.30 0.16 -0.55 8.40 8.33 1a9xC1 ALA 2541 HA -0.02 0.18 0.74 -0.75 4.34 4.49 1a9xC1 ALA 2541 HB3 -0.05 0.07 0.15 -0.04 1.41 1.53 1a9xC1 TYR 2542 H 0.10 0.35 -0.11 -0.55 8.29 8.08 1a9xC1 TYR 2542 HA 0.01 0.19 0.78 -0.75 4.56 4.79 1a9xC1 TYR 2542 HB2 0.05 -0.02 -0.02 -0.04 3.06 3.03 1a9xC1 TYR 2542 HB3 0.00 0.04 0.18 -0.04 2.98 3.16 1a9xC1 TYR 2542 HD2 0.10 0.07 0.01 -0.04 7.15 7.29 1a9xC1 TYR 2542 HE2 0.24 -0.02 -0.04 -0.04 6.85 6.99 1a9xC1 MET 2543 H 0.09 0.79 0.35 -0.55 8.47 9.15 1a9xC1 MET 2543 HA -0.03 0.30 1.13 -0.75 4.52 5.17 1a9xC1 MET 2543 HB2 -0.46 0.03 -0.07 -0.04 2.15 1.62 1a9xC1 MET 2543 HB3 0.05 -0.06 -0.13 -0.04 2.03 1.85 1a9xC1 MET 2543 HG2 -0.06 0.00 -0.38 -0.04 2.63 2.15 1a9xC1 MET 2543 HG3 -0.10 -0.09 -0.57 -0.04 2.56 1.76 1a9xC1 MET 2543 HE3 -1.22 0.02 -0.25 -0.04 2.10 0.61 1a9xC1 TYR 2544 H -0.23 0.56 0.31 -0.55 8.29 8.37 1a9xC1 TYR 2544 HA 0.24 0.09 0.62 -0.75 4.56 4.76 1a9xC1 TYR 2544 HB2 0.02 0.10 0.15 -0.04 3.06 3.29 1a9xC1 TYR 2544 HB3 -0.04 0.04 -0.04 -0.04 2.98 2.91 1a9xC1 TYR 2544 HD2 -0.18 0.14 -0.32 -0.04 7.15 6.76 1a9xC1 TYR 2544 HE2 -0.16 -0.02 -0.36 -0.04 6.85 6.27 1a9xC1 SER 2545 H 0.23 0.14 0.15 -0.55 8.46 8.44 1a9xC1 SER 2545 HA -0.55 0.35 0.98 -0.75 4.49 4.52 1a9xC1 SER 2545 HB2 -0.44 0.04 0.03 -0.04 3.95 3.54 1a9xC1 SER 2545 HB3 -0.05 -0.01 0.00 -0.04 3.93 3.83 1a9xC1 THR 2546 H -0.38 0.78 0.45 -0.55 8.28 8.59 1a9xC1 THR 2546 HA 0.07 0.06 0.54 -0.75 4.39 4.31 1a9xC1 THR 2546 HB 0.16 0.18 -0.14 -0.04 4.32 4.48 1a9xC1 THR 2546 HG23 -0.06 -0.01 -0.20 -0.04 1.22 0.91 1a9xC1 TYR 2547 H 0.20 0.16 0.07 -0.55 8.29 8.16 1a9xC1 TYR 2547 HA -0.02 0.26 0.92 -0.75 4.56 4.97 1a9xC1 TYR 2547 HB2 0.02 -0.04 0.02 -0.04 3.06 3.02 1a9xC1 TYR 2547 HB3 0.01 0.06 0.11 -0.04 2.98 3.13 1a9xC1 TYR 2547 HD2 0.01 0.02 -0.18 -0.04 7.15 6.96 1a9xC1 TYR 2547 HE2 -0.00 0.02 -0.34 -0.04 6.85 6.49 1a9xC1 GLU 2548 H -0.06 0.19 -0.42 -0.55 8.60 7.76 1a9xC1 GLU 2548 HA 0.05 0.23 0.92 -0.75 4.29 4.74 1a9xC1 GLU 2548 HB2 0.03 -0.06 -0.09 -0.04 2.09 1.92 1a9xC1 GLU 2548 HB3 0.01 0.02 0.06 -0.04 1.99 2.03 1a9xC1 GLU 2548 HG2 0.04 -0.06 0.10 -0.04 2.34 2.38 1a9xC1 GLU 2548 HG3 0.05 0.13 0.13 -0.04 2.34 2.61 1a9xC1 GLU 2549 H 0.02 0.04 0.10 -0.55 8.60 8.22 1a9xC1 GLU 2549 HA 0.02 0.19 0.58 -0.75 4.29 4.33 1a9xC1 GLU 2549 HB2 0.02 -0.08 0.20 -0.04 2.09 2.18 1a9xC1 GLU 2549 HB3 0.01 0.05 -0.02 -0.04 1.99 1.99 1a9xC1 GLU 2549 HG2 0.03 -0.02 -0.03 -0.04 2.34 2.28 1a9xC1 GLU 2549 HG3 0.02 -0.01 0.02 -0.04 2.34 2.34 1a9xC1 GLU 2550 H 0.00 0.03 0.10 -0.55 8.60 8.19 1a9xC1 GLU 2550 HA 0.01 0.14 0.80 -0.75 4.29 4.48 1a9xC1 GLU 2550 HB2 0.01 -0.02 0.07 -0.04 2.09 2.11 1a9xC1 GLU 2550 HB3 0.00 -0.05 0.12 -0.04 1.99 2.02 1a9xC1 GLU 2550 HG2 0.00 0.18 -0.25 -0.04 2.34 2.23 1a9xC1 GLU 2550 HG3 0.01 0.00 0.02 -0.04 2.34 2.33 1a9xC1 CYS 2551 H 0.01 0.18 0.20 -0.55 8.50 8.35 1a9xC1 CYS 2551 HA -0.01 0.08 0.74 -0.75 4.58 4.64 1a9xC1 CYS 2551 HB2 0.02 0.13 0.11 -0.04 2.97 3.19 1a9xC1 CYS 2551 HB3 0.04 0.05 0.12 -0.04 2.97 3.13 1a9xC1 GLU 2552 H 0.03 0.58 0.33 -0.55 8.60 8.99 1a9xC1 GLU 2552 HA 0.01 0.21 0.89 -0.75 4.29 4.65 1a9xC1 GLU 2552 HB2 -0.02 0.04 0.02 -0.04 2.09 2.09 1a9xC1 GLU 2552 HB3 -0.00 0.03 0.11 -0.04 1.99 2.08 1a9xC1 GLU 2552 HG2 0.00 0.04 -0.14 -0.04 2.34 2.21 1a9xC1 GLU 2552 HG3 -0.01 0.03 -0.24 -0.04 2.34 2.07 1a9xC1 ALA 2553 H 0.09 -0.04 0.01 -0.55 8.40 7.92 1a9xC1 ALA 2553 HA 0.01 0.06 0.29 -0.75 4.34 3.95 1a9xC1 ALA 2553 HB3 0.10 -0.01 0.02 -0.04 1.41 1.47 1a9xC1 ASN 2554 H 0.03 -0.05 -0.22 -0.55 8.53 7.75 1a9xC1 ASN 2554 HA 0.02 -0.01 0.23 -0.75 4.76 4.25 1a9xC1 ASN 2554 HB2 0.01 0.12 0.07 -0.04 2.88 3.03 1a9xC1 ASN 2554 HB3 0.01 -0.03 0.06 -0.04 2.79 2.79 1a9xC1 ASN 2554 HD21 0.01 -0.09 -0.06 -0.04 7.03 6.85 1a9xC1 ASN 2554 HD22 0.00 0.09 -0.15 -0.04 7.74 7.64 1a9xC1 PRO 2555 HA 0.02 0.04 0.31 -0.51 4.44 4.31 1a9xC1 PRO 2555 HB2 0.01 0.25 -0.07 -0.04 2.28 2.43 1a9xC1 PRO 2555 HB3 0.03 -0.05 -0.00 -0.04 2.02 1.95 1a9xC1 PRO 2555 HG2 0.01 0.17 0.01 -0.04 2.03 2.18 1a9xC1 PRO 2555 HG3 0.02 -0.07 -0.12 -0.04 2.03 1.81 1a9xC1 PRO 2555 HD2 0.02 0.08 0.05 -0.04 3.68 3.78 1a9xC1 PRO 2555 HD3 0.03 -0.14 -0.03 -0.04 3.65 3.47 1a9xC1 SER 2556 H 0.02 0.06 0.15 -0.55 8.46 8.13 1a9xC1 SER 2556 HA 0.01 0.07 0.57 -0.75 4.49 4.39 1a9xC1 SER 2556 HB2 0.01 -0.02 0.14 -0.04 3.95 4.04 1a9xC1 SER 2556 HB3 0.01 0.06 0.14 -0.04 3.93 4.10 1a9xC1 THR 2557 H 0.01 -0.12 0.26 -0.55 8.28 7.88 1a9xC1 THR 2557 HA 0.01 0.34 0.86 -0.75 4.39 4.84 1a9xC1 THR 2557 HB 0.00 0.01 0.09 -0.04 4.32 4.38 1a9xC1 THR 2557 HG23 0.01 0.04 -0.21 -0.04 1.22 1.01 1a9xC1 ASP 2558 H 0.01 -0.31 0.24 -0.55 8.40 7.79 1a9xC1 ASP 2558 HA 0.00 0.09 0.51 -0.75 4.63 4.48 1a9xC1 ASP 2558 HB2 0.00 0.03 0.13 -0.04 2.71 2.83 1a9xC1 ASP 2558 HB3 0.00 -0.16 0.25 -0.04 2.70 2.75 1a9xC1 ARG 2559 H 0.01 0.01 -0.14 -0.55 8.46 7.78 1a9xC1 ARG 2559 HA 0.00 0.25 0.95 -0.75 4.34 4.78 1a9xC1 ARG 2559 HB2 0.02 -0.06 -0.03 -0.04 1.90 1.78 1a9xC1 ARG 2559 HB3 0.03 0.04 -0.10 -0.04 1.80 1.73 1a9xC1 ARG 2559 HG2 -0.00 0.07 -0.25 -0.04 1.67 1.45 1a9xC1 ARG 2559 HG3 0.01 -0.08 -0.09 -0.04 1.67 1.47 1a9xC1 ARG 2559 HD2 0.01 0.08 -0.10 -0.04 3.22 3.16 1a9xC1 ARG 2559 HD3 -0.01 0.05 -0.04 -0.04 3.22 3.18 1a9xC1 GLU 2560 H 0.02 0.22 0.16 -0.55 8.60 8.46 1a9xC1 GLU 2560 HA 0.06 0.22 0.89 -0.75 4.29 4.71 1a9xC1 GLU 2560 HB2 0.29 -0.01 0.03 -0.04 2.09 2.36 1a9xC1 GLU 2560 HB3 0.10 0.04 0.11 -0.04 1.99 2.21 1a9xC1 GLU 2560 HG2 0.01 0.00 0.06 -0.04 2.34 2.37 1a9xC1 GLU 2560 HG3 -0.04 0.03 0.13 -0.04 2.34 2.41 1a9xC1 LYS 2561 H 0.06 0.25 0.22 -0.55 8.42 8.40 1a9xC1 LYS 2561 HA 0.10 0.18 1.15 -0.75 4.32 4.99 1a9xC1 LYS 2561 HB2 0.02 -0.06 -0.08 -0.04 1.87 1.71 1a9xC1 LYS 2561 HB3 0.04 0.11 0.05 -0.04 1.79 1.94 1a9xC1 LYS 2561 HG2 0.04 -0.09 -0.21 -0.04 1.46 1.16 1a9xC1 LYS 2561 HG3 0.03 0.06 0.11 -0.04 1.46 1.62 1a9xC1 LYS 2561 HD2 0.01 0.24 -0.15 -0.04 1.69 1.75 1a9xC1 LYS 2561 HD3 0.03 -0.11 -0.11 -0.04 1.68 1.45 1a9xC1 LYS 2561 HE2 0.03 -0.21 -0.02 -0.04 2.99 2.74 1a9xC1 LYS 2561 HE3 0.02 -0.06 -0.09 -0.04 2.99 2.82 1a9xC1 ILE 2562 H 0.02 0.69 0.34 -0.55 8.25 8.74 1a9xC1 ILE 2562 HA -0.09 0.22 1.11 -0.75 4.18 4.68 1a9xC1 ILE 2562 HB -0.12 -0.06 -0.01 -0.04 1.89 1.67 1a9xC1 ILE 2562 HG12 -0.28 -0.03 -0.36 -0.04 1.49 0.78 1a9xC1 ILE 2562 HG13 -0.63 -0.01 -0.11 -0.04 1.21 0.41 1a9xC1 ILE 2562 HG23 -0.17 -0.01 -0.19 -0.04 0.93 0.52 1a9xC1 ILE 2562 HD13 -0.44 0.02 -0.10 -0.04 0.88 0.31 1a9xC1 MET 2563 H -0.06 0.75 0.39 -0.55 8.47 9.00 1a9xC1 MET 2563 HA -0.01 0.33 1.07 -0.75 4.52 5.16 1a9xC1 MET 2563 HB2 -0.02 0.02 -0.03 -0.04 2.15 2.08 1a9xC1 MET 2563 HB3 -0.04 0.10 0.15 -0.04 2.03 2.20 1a9xC1 MET 2563 HG2 -0.04 -0.11 -0.25 -0.04 2.63 2.19 1a9xC1 MET 2563 HG3 -0.02 0.05 -0.13 -0.04 2.56 2.42 1a9xC1 MET 2563 HE3 -0.06 0.03 -0.14 -0.04 2.10 1.89 1a9xC1 VAL 2564 H -0.01 0.73 0.42 -0.55 8.24 8.84 1a9xC1 VAL 2564 HA -0.06 0.06 0.89 -0.75 4.13 4.27 1a9xC1 VAL 2564 HB -0.01 0.05 0.13 -0.04 2.12 2.25 1a9xC1 VAL 2564 HG13 0.01 0.00 -0.11 -0.04 0.97 0.84 1a9xC1 VAL 2564 HG23 -0.07 -0.00 -0.23 -0.04 0.95 0.61 1a9xC1 LEU 2565 H -0.02 0.42 0.26 -0.55 8.37 8.48 1a9xC1 LEU 2565 HA -0.01 0.20 1.20 -0.75 4.35 4.98 1a9xC1 LEU 2565 HB2 -0.01 -0.04 0.19 -0.04 1.64 1.74 1a9xC1 LEU 2565 HB3 -0.01 0.03 0.06 -0.04 1.64 1.67 1a9xC1 LEU 2565 HG -0.03 0.04 -0.16 -0.04 1.64 1.45 1a9xC1 LEU 2565 HD13 -0.02 -0.01 -0.11 -0.04 0.93 0.75 1a9xC1 LEU 2565 HD23 -0.03 0.02 -0.17 -0.04 0.89 0.67 1a9xC1 GLY 2566 H -0.01 0.82 0.39 -0.55 8.43 9.08 1a9xC1 GLY 2566 HA2 0.03 0.05 0.48 -0.51 4.01 4.06 1a9xC1 GLY 2566 HA3 -0.01 -0.07 0.42 -0.51 4.01 3.83 1a9xC1 GLY 2567 H 0.01 0.03 0.18 -0.55 8.43 8.10 1a9xC1 GLY 2567 HA2 -0.03 0.19 0.93 -0.51 4.01 4.59 1a9xC1 GLY 2567 HA3 -0.03 0.17 0.44 -0.51 4.01 4.08 1a9xC1 GLY 2568 H -0.04 -0.12 0.03 -0.55 8.43 7.75 1a9xC1 GLY 2568 HA2 -0.04 -0.13 0.32 -0.51 4.01 3.65 1a9xC1 GLY 2568 HA3 -0.02 0.27 0.58 -0.51 4.01 4.33 1a9xC1 PRO 2569 HA -0.02 -0.02 0.46 -0.51 4.44 4.36 1a9xC1 PRO 2569 HB2 -0.02 0.07 -0.15 -0.04 2.28 2.13 1a9xC1 PRO 2569 HB3 -0.01 -0.06 -0.39 -0.04 2.02 1.51 1a9xC1 PRO 2569 HG2 -0.01 0.11 -0.10 -0.04 2.03 1.99 1a9xC1 PRO 2569 HG3 0.01 0.02 0.00 -0.04 2.03 2.02 1a9xC1 PRO 2569 HD2 -0.01 0.19 0.17 -0.04 3.68 3.99 1a9xC1 PRO 2569 HD3 -0.00 0.27 0.24 -0.04 3.65 4.11 1a9xC1 ASN 2570 H -0.02 -0.13 0.28 -0.55 8.53 8.11 1a9xC1 ASN 2570 HA 0.01 0.32 0.61 -0.75 4.76 4.95 1a9xC1 ASN 2570 HB2 -0.01 0.01 0.22 -0.04 2.88 3.05 1a9xC1 ASN 2570 HB3 0.01 0.03 0.14 -0.04 2.79 2.93 1a9xC1 ASN 2570 HD21 0.03 -0.14 -0.09 -0.04 7.03 6.79 1a9xC1 ASN 2570 HD22 0.04 0.33 0.01 -0.04 7.74 8.08 1a9xC1 ARG 2571 H 0.01 0.43 0.17 -0.55 8.46 8.53 1a9xC1 ARG 2571 HA -0.02 0.12 0.50 -0.75 4.34 4.19 1a9xC1 ARG 2571 HB2 -0.02 -0.04 -0.15 -0.04 1.90 1.66 1a9xC1 ARG 2571 HB3 -0.02 -0.04 0.05 -0.04 1.80 1.75 1a9xC1 ARG 2571 HG2 -0.02 0.02 -0.06 -0.04 1.67 1.58 1a9xC1 ARG 2571 HG3 -0.02 0.06 -0.22 -0.04 1.67 1.45 1a9xC1 ARG 2571 HD2 -0.02 0.15 -0.23 -0.04 3.22 3.08 1a9xC1 ARG 2571 HD3 -0.02 -0.13 -0.20 -0.04 3.22 2.83 1a9xC1 ILE 2572 H -0.00 0.16 0.06 -0.55 8.25 7.91 1a9xC1 ILE 2572 HA 0.00 0.06 0.45 -0.75 4.18 3.93 1a9xC1 ILE 2572 HB -0.02 -0.01 0.11 -0.04 1.89 1.93 1a9xC1 ILE 2572 HG12 0.04 0.19 -0.29 -0.04 1.49 1.39 1a9xC1 ILE 2572 HG13 0.04 -0.12 -0.08 -0.04 1.21 1.01 1a9xC1 ILE 2572 HG23 -0.06 0.04 -0.26 -0.04 0.93 0.61 1a9xC1 ILE 2572 HD13 0.21 -0.00 -0.04 -0.04 0.88 1.01 1a9xC1 GLY 2573 H 0.01 0.18 0.16 -0.55 8.43 8.22 1a9xC1 GLY 2573 HA2 0.02 -0.06 0.37 -0.51 4.01 3.83 1a9xC1 GLY 2573 HA3 -0.02 0.23 0.73 -0.51 4.01 4.43 1a9xC1 GLN 2574 H 0.04 0.62 -0.57 -0.55 8.47 8.01 1a9xC1 GLN 2574 HA 0.18 0.13 1.01 -0.75 4.36 4.93 1a9xC1 GLN 2574 HB2 -0.01 -0.00 0.17 -0.04 2.15 2.26 1a9xC1 GLN 2574 HB3 -0.09 0.03 0.17 -0.04 2.02 2.09 1a9xC1 GLN 2574 HG2 -0.05 -0.01 -0.51 -0.04 2.40 1.79 1a9xC1 GLN 2574 HG3 -0.08 0.07 -0.06 -0.04 2.39 2.29 1a9xC1 GLN 2574 HE21 -0.21 -0.06 0.02 -0.04 6.97 6.68 1a9xC1 GLN 2574 HE22 -0.08 0.04 -0.14 -0.04 7.69 7.47 1a9xC1 GLY 2575 H 0.25 0.09 -0.08 -0.55 8.43 8.14 1a9xC1 GLY 2575 HA2 0.08 0.26 0.87 -0.51 4.01 4.71 1a9xC1 GLY 2575 HA3 0.06 0.03 0.45 -0.51 4.01 4.03 1a9xC1 ILE 2576 H 0.02 0.24 0.21 -0.55 8.25 8.18 1a9xC1 ILE 2576 HA 0.05 0.02 0.49 -0.75 4.18 3.99 1a9xC1 ILE 2576 HB 0.02 -0.01 0.21 -0.04 1.89 2.07 1a9xC1 ILE 2576 HG12 0.06 0.19 0.09 -0.04 1.49 1.79 1a9xC1 ILE 2576 HG13 0.05 -0.09 0.16 -0.04 1.21 1.28 1a9xC1 ILE 2576 HG23 -0.02 0.04 0.02 -0.04 0.93 0.93 1a9xC1 ILE 2576 HD13 0.05 -0.02 0.08 -0.04 0.88 0.95 1a9xC1 GLU 2577 H -0.11 0.08 -0.32 -0.55 8.60 7.70 1a9xC1 GLU 2577 HA -0.18 0.08 0.38 -0.75 4.29 3.82 1a9xC1 GLU 2577 HB2 -0.68 -0.02 -0.02 -0.04 2.09 1.32 1a9xC1 GLU 2577 HB3 -0.45 0.08 0.03 -0.04 1.99 1.60 1a9xC1 GLU 2577 HG2 -0.22 0.34 0.10 -0.04 2.34 2.51 1a9xC1 GLU 2577 HG3 -0.19 -0.06 0.04 -0.04 2.34 2.09 1a9xC1 PHE 2578 H -0.05 0.42 -0.24 -0.55 8.34 7.91 1a9xC1 PHE 2578 HA -0.01 0.11 0.50 -0.75 4.62 4.46 1a9xC1 PHE 2578 HB2 0.00 0.10 -0.04 -0.04 3.15 3.17 1a9xC1 PHE 2578 HB3 0.02 0.04 -0.21 -0.04 3.06 2.87 1a9xC1 PHE 2578 HD2 -0.01 0.07 -0.16 -0.04 7.28 7.13 1a9xC1 PHE 2578 HE2 -0.01 0.21 -0.03 -0.04 7.38 7.50 1a9xC1 PHE 2578 HZ -0.01 -0.02 0.00 -0.04 7.32 7.25 1a9xC1 ASP 2579 H 0.13 0.18 -0.15 -0.55 8.40 8.01 1a9xC1 ASP 2579 HA 0.09 0.07 0.40 -0.75 4.63 4.43 1a9xC1 ASP 2579 HB2 0.07 0.02 0.12 -0.04 2.71 2.87 1a9xC1 ASP 2579 HB3 0.07 0.11 0.09 -0.04 2.70 2.93 1a9xC1 TYR 2580 H 0.12 0.60 -0.15 -0.55 8.29 8.32 1a9xC1 TYR 2580 HA -0.06 -0.02 0.30 -0.75 4.56 4.02 1a9xC1 TYR 2580 HB2 -0.10 0.07 0.01 -0.04 3.06 3.01 1a9xC1 TYR 2580 HB3 -0.16 0.18 0.11 -0.04 2.98 3.07 1a9xC1 TYR 2580 HD2 -0.19 -0.03 -0.43 -0.04 7.15 6.46 1a9xC1 TYR 2580 HE2 -0.19 0.09 -0.27 -0.04 6.85 6.44 1a9xC1 CYS 2581 H 0.05 0.40 -0.30 -0.55 8.50 8.10 1a9xC1 CYS 2581 HA -0.09 -0.06 0.33 -0.75 4.58 4.00 1a9xC1 CYS 2581 HB2 -0.06 0.32 0.22 -0.04 2.97 3.41 1a9xC1 CYS 2581 HB3 -0.73 -0.07 0.01 -0.04 2.97 2.13 1a9xC1 CYS 2582 H 0.13 0.72 -0.05 -0.55 8.50 8.76 1a9xC1 CYS 2582 HA 0.27 -0.03 0.28 -0.75 4.58 4.35 1a9xC1 CYS 2582 HB2 0.09 0.01 0.15 -0.04 2.97 3.18 1a9xC1 CYS 2582 HB3 0.07 -0.03 -0.12 -0.04 2.97 2.85 1a9xC1 VAL 2583 H 0.04 0.64 -0.27 -0.55 8.24 8.10 1a9xC1 VAL 2583 HA 0.03 0.06 0.31 -0.75 4.13 3.77 1a9xC1 VAL 2583 HB -0.04 0.16 0.10 -0.04 2.12 2.29 1a9xC1 VAL 2583 HG13 0.03 0.00 -0.23 -0.04 0.97 0.73 1a9xC1 VAL 2583 HG23 0.01 -0.02 -0.14 -0.04 0.95 0.76 1a9xC1 HIS 2584 H 0.08 0.50 -0.19 -0.55 8.41 8.25 1a9xC1 HIS 2584 HA -0.07 0.05 0.40 -0.75 4.63 4.25 1a9xC1 HIS 2584 HB2 -0.07 0.09 0.09 -0.04 3.26 3.34 1a9xC1 HIS 2584 HB3 -0.00 -0.13 -0.21 -0.04 3.20 2.82 1a9xC1 HIS 2584 HD2 -0.33 -0.03 -0.14 -0.04 6.97 6.43 1a9xC1 HIS 2584 HE1 -0.01 0.04 -0.08 -0.04 7.75 7.66 1a9xC1 ALA 2585 H 0.23 0.50 -0.20 -0.55 8.40 8.39 1a9xC1 ALA 2585 HA 0.09 0.03 0.39 -0.75 4.34 4.10 1a9xC1 ALA 2585 HB3 0.04 0.02 0.04 -0.04 1.41 1.46 1a9xC1 SER 2586 H 0.06 0.43 -0.27 -0.55 8.46 8.12 1a9xC1 SER 2586 HA 0.01 0.01 0.34 -0.75 4.49 4.09 1a9xC1 SER 2586 HB2 0.02 -0.09 -0.00 -0.04 3.95 3.83 1a9xC1 SER 2586 HB3 0.02 0.12 0.14 -0.04 3.93 4.17 1a9xC1 LEU 2587 H 0.00 0.50 -0.05 -0.55 8.37 8.28 1a9xC1 LEU 2587 HA -0.01 0.11 0.40 -0.75 4.35 4.10 1a9xC1 LEU 2587 HB2 -0.12 -0.03 0.09 -0.04 1.64 1.54 1a9xC1 LEU 2587 HB3 -0.07 -0.01 0.01 -0.04 1.64 1.53 1a9xC1 LEU 2587 HG -0.02 0.32 0.10 -0.04 1.64 2.01 1a9xC1 LEU 2587 HD13 -0.10 -0.06 -0.10 -0.04 0.93 0.64 1a9xC1 LEU 2587 HD23 -0.02 0.01 -0.01 -0.04 0.89 0.83 1a9xC1 ALA 2588 H -0.01 0.51 -0.21 -0.55 8.40 8.14 1a9xC1 ALA 2588 HA -0.01 0.05 0.44 -0.75 4.34 4.06 1a9xC1 ALA 2588 HB3 0.01 -0.01 0.10 -0.04 1.41 1.47 1a9xC1 LEU 2589 H 0.03 0.60 -0.02 -0.55 8.37 8.43 1a9xC1 LEU 2589 HA 0.18 0.04 0.38 -0.75 4.35 4.19 1a9xC1 LEU 2589 HB2 0.02 0.11 0.03 -0.04 1.64 1.76 1a9xC1 LEU 2589 HB3 0.06 -0.04 -0.03 -0.04 1.64 1.58 1a9xC1 LEU 2589 HG -0.01 0.02 0.06 -0.04 1.64 1.67 1a9xC1 LEU 2589 HD13 -0.17 -0.02 -0.11 -0.04 0.93 0.59 1a9xC1 LEU 2589 HD23 -0.06 0.01 -0.15 -0.04 0.89 0.65 1a9xC1 ARG 2590 H 0.05 0.43 -0.46 -0.55 8.46 7.92 1a9xC1 ARG 2590 HA 0.07 0.19 0.49 -0.75 4.34 4.34 1a9xC1 ARG 2590 HB2 0.03 -0.02 0.14 -0.04 1.90 2.01 1a9xC1 ARG 2590 HB3 0.02 0.07 0.14 -0.04 1.80 1.99 1a9xC1 ARG 2590 HG2 0.02 0.01 -0.20 -0.04 1.67 1.46 1a9xC1 ARG 2590 HG3 0.03 -0.01 0.09 -0.04 1.67 1.74 1a9xC1 ARG 2590 HD2 0.02 -0.02 -0.09 -0.04 3.22 3.09 1a9xC1 ARG 2590 HD3 0.02 -0.12 -0.10 -0.04 3.22 2.98 1a9xC1 GLU 2591 H 0.02 0.54 -0.11 -0.55 8.60 8.50 1a9xC1 GLU 2591 HA 0.00 0.03 0.47 -0.75 4.29 4.03 1a9xC1 GLU 2591 HB2 -0.01 -0.07 0.13 -0.04 2.09 2.10 1a9xC1 GLU 2591 HB3 -0.00 0.20 0.29 -0.04 1.99 2.44 1a9xC1 GLU 2591 HG2 -0.00 -0.05 -0.05 -0.04 2.34 2.20 1a9xC1 GLU 2591 HG3 -0.00 0.01 -0.29 -0.04 2.34 2.01 1a9xC1 ASP 2592 H 0.05 0.36 -0.33 -0.55 8.40 7.93 1a9xC1 ASP 2592 HA -0.01 0.03 0.42 -0.75 4.63 4.32 1a9xC1 ASP 2592 HB2 0.16 0.00 0.10 -0.04 2.71 2.93 1a9xC1 ASP 2592 HB3 0.02 -0.05 0.02 -0.04 2.70 2.65 1a9xC1 GLY 2593 H 0.00 0.35 -0.74 -0.55 8.43 7.50 1a9xC1 GLY 2593 HA2 -0.06 -0.01 0.27 -0.51 4.01 3.71 1a9xC1 GLY 2593 HA3 -0.15 0.19 1.08 -0.51 4.01 4.62 1a9xC1 TYR 2594 H 0.10 0.60 0.11 -0.55 8.29 8.54 1a9xC1 TYR 2594 HA -0.00 0.16 0.75 -0.75 4.56 4.71 1a9xC1 TYR 2594 HB2 -0.01 -0.07 -0.14 -0.04 3.06 2.80 1a9xC1 TYR 2594 HB3 -0.01 -0.03 -0.00 -0.04 2.98 2.91 1a9xC1 TYR 2594 HD2 -0.01 0.13 -0.01 -0.04 7.15 7.22 1a9xC1 TYR 2594 HE2 -0.01 -0.03 -0.06 -0.04 6.85 6.71 1a9xC1 GLU 2595 H 0.15 0.50 0.15 -0.55 8.60 8.86 1a9xC1 GLU 2595 HA 0.05 0.18 0.83 -0.75 4.29 4.61 1a9xC1 GLU 2595 HB2 0.04 0.00 -0.04 -0.04 2.09 2.05 1a9xC1 GLU 2595 HB3 0.05 -0.05 -0.04 -0.04 1.99 1.91 1a9xC1 GLU 2595 HG2 0.04 -0.00 -0.22 -0.04 2.34 2.11 1a9xC1 GLU 2595 HG3 0.03 0.04 0.02 -0.04 2.34 2.39 1a9xC1 THR 2596 H 0.05 0.19 0.17 -0.55 8.28 8.14 1a9xC1 THR 2596 HA 0.03 0.31 1.11 -0.75 4.39 5.09 1a9xC1 THR 2596 HB 0.02 -0.02 0.01 -0.04 4.32 4.30 1a9xC1 THR 2596 HG23 0.05 0.12 -0.11 -0.04 1.22 1.23 1a9xC1 ILE 2597 H 0.02 0.70 0.42 -0.55 8.25 8.84 1a9xC1 ILE 2597 HA 0.06 0.36 1.14 -0.75 4.18 4.99 1a9xC1 ILE 2597 HB 0.04 -0.02 0.13 -0.04 1.89 1.99 1a9xC1 ILE 2597 HG12 0.10 0.03 -0.18 -0.04 1.49 1.40 1a9xC1 ILE 2597 HG13 0.05 -0.07 -0.56 -0.04 1.21 0.59 1a9xC1 ILE 2597 HG23 0.17 -0.01 -0.20 -0.04 0.93 0.86 1a9xC1 ILE 2597 HD13 0.04 0.00 -0.20 -0.04 0.88 0.68 1a9xC1 MET 2598 H 0.06 0.63 0.37 -0.55 8.47 8.99 1a9xC1 MET 2598 HA 0.02 0.14 0.94 -0.75 4.52 4.87 1a9xC1 MET 2598 HB2 0.01 0.00 -0.05 -0.04 2.15 2.07 1a9xC1 MET 2598 HB3 0.02 0.00 0.07 -0.04 2.03 2.09 1a9xC1 MET 2598 HG2 -0.02 0.33 -0.11 -0.04 2.63 2.78 1a9xC1 MET 2598 HG3 -0.02 -0.10 -0.37 -0.04 2.56 2.03 1a9xC1 MET 2598 HE3 0.01 0.04 -0.18 -0.04 2.10 1.93 1a9xC1 VAL 2599 H 0.01 0.49 0.33 -0.55 8.24 8.52 1a9xC1 VAL 2599 HA 0.08 0.32 1.12 -0.75 4.13 4.90 1a9xC1 VAL 2599 HB -0.00 -0.09 0.19 -0.04 2.12 2.18 1a9xC1 VAL 2599 HG13 0.02 -0.00 -0.12 -0.04 0.97 0.83 1a9xC1 VAL 2599 HG23 -0.00 0.02 -0.18 -0.04 0.95 0.74 1a9xC1 ASN 2600 H -0.06 0.63 0.30 -0.55 8.53 8.85 1a9xC1 ASN 2600 HA -0.09 0.04 0.49 -0.75 4.76 4.45 1a9xC1 ASN 2600 HB2 -0.06 0.14 -0.12 -0.04 2.88 2.80 1a9xC1 ASN 2600 HB3 -0.16 0.06 -0.18 -0.04 2.79 2.47 1a9xC1 ASN 2600 HD21 -0.06 0.03 0.06 -0.04 7.03 7.03 1a9xC1 ASN 2600 HD22 -0.08 0.05 -0.06 -0.04 7.74 7.60 1a9xC1 CYS 2601 H -0.17 -0.02 0.15 -0.55 8.50 7.91 1a9xC1 CYS 2601 HA -1.05 0.25 0.73 -0.75 4.58 3.75 1a9xC1 CYS 2601 HB2 0.11 0.21 0.15 -0.04 2.97 3.40 1a9xC1 CYS 2601 HB3 -0.00 0.14 -0.42 -0.04 2.97 2.64 1a9xC1 ASN 2602 H -0.24 0.04 -0.02 -0.55 8.53 7.76 1a9xC1 ASN 2602 HA -0.03 0.29 0.70 -0.75 4.76 4.96 1a9xC1 ASN 2602 HB2 -0.06 0.21 -0.07 -0.04 2.88 2.91 1a9xC1 ASN 2602 HB3 -0.09 -0.11 0.12 -0.04 2.79 2.67 1a9xC1 ASN 2602 HD21 -0.02 -0.12 0.07 -0.04 7.03 6.93 1a9xC1 ASN 2602 HD22 -0.02 0.18 0.02 -0.04 7.74 7.89 1a9xC1 PRO 2603 HA 0.20 0.23 0.34 -0.51 4.44 4.70 1a9xC1 PRO 2603 HB2 0.04 -0.02 -0.18 -0.04 2.28 2.07 1a9xC1 PRO 2603 HB3 0.20 0.10 -0.04 -0.04 2.02 2.24 1a9xC1 PRO 2603 HG2 0.02 -0.06 -0.18 -0.04 2.03 1.76 1a9xC1 PRO 2603 HG3 0.08 0.11 -0.22 -0.04 2.03 1.95 1a9xC1 PRO 2603 HD2 0.01 0.09 0.14 -0.04 3.68 3.88 1a9xC1 PRO 2603 HD3 0.10 0.26 0.18 -0.04 3.65 4.15 1a9xC1 GLU 2604 H -0.04 0.07 -0.35 -0.55 8.60 7.73 1a9xC1 GLU 2604 HA -0.12 0.14 0.46 -0.75 4.29 4.02 1a9xC1 GLU 2604 HB2 -0.05 0.03 -0.02 -0.04 2.09 2.02 1a9xC1 GLU 2604 HB3 -0.06 -0.20 -0.16 -0.04 1.99 1.54 1a9xC1 GLU 2604 HG2 -0.09 -0.03 -0.03 -0.04 2.34 2.15 1a9xC1 GLU 2604 HG3 -0.05 0.12 -0.07 -0.04 2.34 2.30 1a9xC1 THR 2605 H -0.10 0.24 -0.36 -0.55 8.28 7.51 1a9xC1 THR 2605 HA 0.01 0.19 0.72 -0.75 4.39 4.55 1a9xC1 THR 2605 HB -0.00 -0.16 0.07 -0.04 4.32 4.19 1a9xC1 THR 2605 HG23 -0.02 -0.01 -0.06 -0.04 1.22 1.10 1a9xC1 VAL 2606 H 0.05 0.11 0.10 -0.55 8.24 7.95 1a9xC1 VAL 2606 HA 0.19 0.17 0.43 -0.75 4.13 4.17 1a9xC1 VAL 2606 HB 0.05 -0.04 0.00 -0.04 2.12 2.10 1a9xC1 VAL 2606 HG13 0.04 0.05 -0.11 -0.04 0.97 0.91 1a9xC1 VAL 2606 HG23 0.12 -0.01 -0.08 -0.04 0.95 0.94 1a9xC1 SER 2607 H -0.00 -0.06 -0.16 -0.55 8.46 7.69 1a9xC1 SER 2607 HA -0.01 0.20 0.33 -0.75 4.49 4.27 1a9xC1 SER 2607 HB2 -0.01 0.10 -0.06 -0.04 3.95 3.94 1a9xC1 SER 2607 HB3 0.01 -0.02 0.02 -0.04 3.93 3.89 1a9xC1 THR 2608 H -0.09 0.06 -0.65 -0.55 8.28 7.05 1a9xC1 THR 2608 HA -0.11 0.25 0.63 -0.75 4.39 4.41 1a9xC1 THR 2608 HB -0.01 0.03 -0.01 -0.04 4.32 4.28 1a9xC1 THR 2608 HG23 -0.43 -0.05 -0.31 -0.04 1.22 0.39 1a9xC1 ASP 2609 H -0.05 0.43 -0.67 -0.55 8.40 7.56 1a9xC1 ASP 2609 HA -0.08 0.07 0.58 -0.75 4.63 4.44 1a9xC1 ASP 2609 HB2 0.19 -0.06 0.07 -0.04 2.71 2.87 1a9xC1 ASP 2609 HB3 -0.01 0.14 0.11 -0.04 2.70 2.91 1a9xC1 TYR 2610 H -0.36 0.15 0.05 -0.55 8.29 7.58 1a9xC1 TYR 2610 HA -0.14 0.12 0.23 -0.75 4.56 4.03 1a9xC1 TYR 2610 HB2 -0.02 0.08 -0.01 -0.04 3.06 3.07 1a9xC1 TYR 2610 HB3 -0.22 0.01 0.03 -0.04 2.98 2.76 1a9xC1 TYR 2610 HD2 -0.01 0.08 -0.15 -0.04 7.15 7.02 1a9xC1 TYR 2610 HE2 0.08 0.02 -0.11 -0.04 6.85 6.80 1a9xC1 ASP 2611 H -0.40 -0.07 -0.46 -0.55 8.40 6.92 1a9xC1 ASP 2611 HA 0.05 0.18 0.38 -0.75 4.63 4.48 1a9xC1 ASP 2611 HB2 -0.15 -0.10 -0.06 -0.04 2.71 2.35 1a9xC1 ASP 2611 HB3 -0.05 0.07 -0.05 -0.04 2.70 2.63 1a9xC1 THR 2612 H -0.05 0.41 -0.42 -0.55 8.28 7.68 1a9xC1 THR 2612 HA -0.01 0.09 0.42 -0.75 4.39 4.13 1a9xC1 THR 2612 HB -0.02 0.15 -0.00 -0.04 4.32 4.41 1a9xC1 THR 2612 HG23 0.00 -0.07 -0.09 -0.04 1.22 1.03 1a9xC1 SER 2613 H 0.01 0.33 -0.34 -0.55 8.46 7.92 1a9xC1 SER 2613 HA 0.02 0.15 0.74 -0.75 4.49 4.65 1a9xC1 SER 2613 HB2 0.02 0.06 -0.10 -0.04 3.95 3.89 1a9xC1 SER 2613 HB3 0.01 -0.06 -0.26 -0.04 3.93 3.58 1a9xC1 ASP 2614 H 0.03 0.19 0.25 -0.55 8.40 8.32 1a9xC1 ASP 2614 HA 0.03 0.08 0.51 -0.75 4.63 4.49 1a9xC1 ASP 2614 HB2 0.03 0.16 0.34 -0.04 2.71 3.20 1a9xC1 ASP 2614 HB3 0.02 -0.00 0.07 -0.04 2.70 2.75 1a9xC1 ARG 2615 H 0.02 0.48 0.22 -0.55 8.46 8.63 1a9xC1 ARG 2615 HA -0.02 0.29 1.03 -0.75 4.34 4.88 1a9xC1 ARG 2615 HB2 0.03 -0.07 0.07 -0.04 1.90 1.89 1a9xC1 ARG 2615 HB3 -0.11 -0.01 -0.10 -0.04 1.80 1.54 1a9xC1 ARG 2615 HG2 -0.04 0.08 -0.03 -0.04 1.67 1.64 1a9xC1 ARG 2615 HG3 0.00 -0.09 -0.58 -0.04 1.67 0.97 1a9xC1 ARG 2615 HD2 0.01 -0.01 -0.09 -0.04 3.22 3.09 1a9xC1 ARG 2615 HD3 0.04 -0.05 -0.15 -0.04 3.22 3.03 1a9xC1 LEU 2616 H -0.03 0.84 0.38 -0.55 8.37 9.02 1a9xC1 LEU 2616 HA 0.04 0.20 1.21 -0.75 4.35 5.05 1a9xC1 LEU 2616 HB2 -0.01 0.03 -0.13 -0.04 1.64 1.50 1a9xC1 LEU 2616 HB3 0.02 -0.01 0.14 -0.04 1.64 1.74 1a9xC1 LEU 2616 HG 0.20 -0.07 -0.53 -0.04 1.64 1.20 1a9xC1 LEU 2616 HD13 -0.01 0.05 -0.18 -0.04 0.93 0.75 1a9xC1 LEU 2616 HD23 -0.29 -0.01 -0.27 -0.04 0.89 0.28 1a9xC1 TYR 2617 H 0.20 0.68 0.32 -0.55 8.29 8.94 1a9xC1 TYR 2617 HA 0.17 0.22 0.88 -0.75 4.56 5.08 1a9xC1 TYR 2617 HB2 0.02 0.01 0.21 -0.04 3.06 3.26 1a9xC1 TYR 2617 HB3 0.07 -0.06 -0.05 -0.04 2.98 2.90 1a9xC1 TYR 2617 HD2 -0.08 0.00 -0.19 -0.04 7.15 6.84 1a9xC1 TYR 2617 HE2 -0.59 -0.01 -0.17 -0.04 6.85 6.04 1a9xC1 PHE 2618 H 0.47 0.69 0.23 -0.55 8.34 9.17 1a9xC1 PHE 2618 HA 0.15 0.36 0.81 -0.75 4.62 5.18 1a9xC1 PHE 2618 HB2 0.43 0.01 0.05 -0.04 3.15 3.59 1a9xC1 PHE 2618 HB3 0.23 -0.03 0.20 -0.04 3.06 3.41 1a9xC1 PHE 2618 HD2 0.15 0.03 -0.14 -0.04 7.28 7.28 1a9xC1 PHE 2618 HE2 0.03 0.11 -0.15 -0.04 7.38 7.32 1a9xC1 PHE 2618 HZ 0.01 -0.13 -0.37 -0.04 7.32 6.79 1a9xC1 GLU 2619 H 0.11 0.37 0.10 -0.55 8.60 8.64 1a9xC1 GLU 2619 HA 0.23 0.17 0.89 -0.75 4.29 4.82 1a9xC1 GLU 2619 HB2 0.14 0.01 -0.17 -0.04 2.09 2.02 1a9xC1 GLU 2619 HB3 0.13 0.07 -0.09 -0.04 1.99 2.06 1a9xC1 GLU 2619 HG2 0.36 -0.04 -0.57 -0.04 2.34 2.04 1a9xC1 GLU 2619 HG3 0.26 0.04 -0.18 -0.04 2.34 2.42 1a9xC1 PRO 2620 HA 0.04 0.06 0.43 -0.51 4.44 4.46 1a9xC1 PRO 2620 HB2 0.05 -0.12 -0.10 -0.04 2.28 2.07 1a9xC1 PRO 2620 HB3 0.04 0.09 -0.11 -0.04 2.02 2.01 1a9xC1 PRO 2620 HG2 0.08 -0.03 0.06 -0.04 2.03 2.09 1a9xC1 PRO 2620 HG3 0.07 0.22 0.04 -0.04 2.03 2.32 1a9xC1 PRO 2620 HD2 0.12 0.07 0.21 -0.04 3.68 4.04 1a9xC1 PRO 2620 HD3 0.13 0.18 0.17 -0.04 3.65 4.09 1a9xC1 VAL 2621 H 0.01 0.17 0.07 -0.55 8.24 7.95 1a9xC1 VAL 2621 HA 0.00 0.13 0.57 -0.75 4.13 4.08 1a9xC1 VAL 2621 HB -0.01 -0.01 0.12 -0.04 2.12 2.18 1a9xC1 VAL 2621 HG13 -0.01 0.09 -0.05 -0.04 0.97 0.95 1a9xC1 VAL 2621 HG23 -0.02 -0.01 -0.11 -0.04 0.95 0.77 1a9xC1 THR 2622 H 0.02 0.41 -0.13 -0.55 8.28 8.03 1a9xC1 THR 2622 HA 0.01 0.24 0.74 -0.75 4.39 4.62 1a9xC1 THR 2622 HB 0.02 -0.07 0.10 -0.04 4.32 4.33 1a9xC1 THR 2622 HG23 0.03 0.02 -0.16 -0.04 1.22 1.06 1a9xC1 LEU 2623 H 0.01 0.20 0.12 -0.55 8.37 8.15 1a9xC1 LEU 2623 HA 0.00 0.16 0.32 -0.75 4.35 4.07 1a9xC1 LEU 2623 HB2 0.00 0.07 0.12 -0.04 1.64 1.78 1a9xC1 LEU 2623 HB3 0.01 -0.10 0.10 -0.04 1.64 1.61 1a9xC1 LEU 2623 HG 0.01 0.03 -0.22 -0.04 1.64 1.42 1a9xC1 LEU 2623 HD13 -0.00 0.04 -0.11 -0.04 0.93 0.81 1a9xC1 LEU 2623 HD23 0.00 0.00 -0.05 -0.04 0.89 0.81 1a9xC1 GLU 2624 H 0.03 0.04 -0.10 -0.55 8.60 8.02 1a9xC1 GLU 2624 HA 0.04 0.12 0.39 -0.75 4.29 4.09 1a9xC1 GLU 2624 HB2 0.04 -0.09 0.12 -0.04 2.09 2.13 1a9xC1 GLU 2624 HB3 0.06 -0.02 0.07 -0.04 1.99 2.06 1a9xC1 GLU 2624 HG2 0.09 0.12 -0.17 -0.04 2.34 2.34 1a9xC1 GLU 2624 HG3 0.07 0.04 0.04 -0.04 2.34 2.45 1a9xC1 ASP 2625 H 0.05 0.00 -0.26 -0.55 8.40 7.64 1a9xC1 ASP 2625 HA 0.08 0.08 0.42 -0.75 4.63 4.45 1a9xC1 ASP 2625 HB2 0.05 0.18 0.11 -0.04 2.71 3.01 1a9xC1 ASP 2625 HB3 0.09 0.03 0.04 -0.04 2.70 2.81 1a9xC1 VAL 2626 H 0.01 0.55 -0.15 -0.55 8.24 8.11 1a9xC1 VAL 2626 HA -0.05 0.07 0.40 -0.75 4.13 3.79 1a9xC1 VAL 2626 HB -0.01 0.03 0.04 -0.04 2.12 2.14 1a9xC1 VAL 2626 HG13 -0.04 0.00 -0.17 -0.04 0.97 0.72 1a9xC1 VAL 2626 HG23 -0.02 -0.00 -0.05 -0.04 0.95 0.84 1a9xC1 LEU 2627 H 0.01 0.62 -0.15 -0.55 8.37 8.29 1a9xC1 LEU 2627 HA -0.02 0.05 0.39 -0.75 4.35 4.02 1a9xC1 LEU 2627 HB2 0.03 0.05 0.17 -0.04 1.64 1.85 1a9xC1 LEU 2627 HB3 0.02 0.01 0.01 -0.04 1.64 1.64 1a9xC1 LEU 2627 HG 0.00 0.08 0.06 -0.04 1.64 1.75 1a9xC1 LEU 2627 HD13 0.01 -0.03 -0.06 -0.04 0.93 0.81 1a9xC1 LEU 2627 HD23 -0.01 0.01 -0.04 -0.04 0.89 0.81 1a9xC1 GLU 2628 H 0.04 0.42 -0.21 -0.55 8.60 8.30 1a9xC1 GLU 2628 HA 0.04 0.05 0.36 -0.75 4.29 3.98 1a9xC1 GLU 2628 HB2 0.11 0.07 0.09 -0.04 2.09 2.32 1a9xC1 GLU 2628 HB3 0.15 0.01 -0.02 -0.04 1.99 2.08 1a9xC1 GLU 2628 HG2 0.11 0.09 0.07 -0.04 2.34 2.57 1a9xC1 GLU 2628 HG3 0.11 -0.06 0.02 -0.04 2.34 2.37 1a9xC1 ILE 2629 H -0.08 0.34 -0.30 -0.55 8.25 7.66 1a9xC1 ILE 2629 HA -0.37 0.05 0.44 -0.75 4.18 3.55 1a9xC1 ILE 2629 HB -0.28 0.07 0.04 -0.04 1.89 1.68 1a9xC1 ILE 2629 HG12 -1.23 -0.04 -0.09 -0.04 1.49 0.10 1a9xC1 ILE 2629 HG13 -0.21 -0.01 -0.05 -0.04 1.21 0.90 1a9xC1 ILE 2629 HG23 -0.73 -0.01 -0.18 -0.04 0.93 -0.04 1a9xC1 ILE 2629 HD13 -0.17 -0.02 -0.12 -0.04 0.88 0.52 1a9xC1 VAL 2630 H -0.09 0.51 -0.16 -0.55 8.24 7.94 1a9xC1 VAL 2630 HA -0.08 0.01 0.46 -0.75 4.13 3.76 1a9xC1 VAL 2630 HB -0.04 0.08 0.15 -0.04 2.12 2.26 1a9xC1 VAL 2630 HG13 -0.04 0.01 -0.14 -0.04 0.97 0.77 1a9xC1 VAL 2630 HG23 -0.06 0.03 -0.03 -0.04 0.95 0.85 1a9xC1 ARG 2631 H -0.05 0.59 -0.15 -0.55 8.46 8.29 1a9xC1 ARG 2631 HA -0.05 0.01 0.30 -0.75 4.34 3.85 1a9xC1 ARG 2631 HB2 -0.06 -0.02 0.08 -0.04 1.90 1.86 1a9xC1 ARG 2631 HB3 -0.06 0.17 0.12 -0.04 1.80 1.98 1a9xC1 ARG 2631 HG2 -0.11 0.03 -0.27 -0.04 1.67 1.28 1a9xC1 ARG 2631 HG3 -0.11 -0.03 0.00 -0.04 1.67 1.49 1a9xC1 ARG 2631 HD2 -0.33 -0.06 -0.04 -0.04 3.22 2.76 1a9xC1 ARG 2631 HD3 -0.30 0.02 -0.03 -0.04 3.22 2.87 1a9xC1 ILE 2632 H -0.07 0.19 -0.37 -0.55 8.25 7.45 1a9xC1 ILE 2632 HA -0.03 0.22 0.85 -0.75 4.18 4.46 1a9xC1 ILE 2632 HB -0.00 -0.04 0.04 -0.04 1.89 1.84 1a9xC1 ILE 2632 HG12 -0.07 0.13 0.09 -0.04 1.49 1.60 1a9xC1 ILE 2632 HG13 -0.11 0.12 -0.08 -0.04 1.21 1.10 1a9xC1 ILE 2632 HG23 0.01 -0.01 -0.06 -0.04 0.93 0.83 1a9xC1 ILE 2632 HD13 -0.05 -0.05 -0.06 -0.04 0.88 0.68 1a9xC1 GLU 2633 H -0.09 0.49 -0.05 -0.55 8.60 8.41 1a9xC1 GLU 2633 HA -0.01 0.09 0.64 -0.75 4.29 4.26 1a9xC1 GLU 2633 HB2 -0.07 0.02 0.03 -0.04 2.09 2.03 1a9xC1 GLU 2633 HB3 -0.01 -0.07 -0.11 -0.04 1.99 1.75 1a9xC1 GLU 2633 HG2 -0.09 -0.01 -0.06 -0.04 2.34 2.13 1a9xC1 GLU 2633 HG3 -0.04 -0.10 -0.10 -0.04 2.34 2.06 1a9xC1 LYS 2634 H -0.04 0.77 0.04 -0.55 8.42 8.63 1a9xC1 LYS 2634 HA -0.03 0.01 0.31 -0.75 4.32 3.87 1a9xC1 LYS 2634 HB2 -0.01 0.14 -0.05 -0.04 1.87 1.91 1a9xC1 LYS 2634 HB3 -0.01 -0.07 0.15 -0.04 1.79 1.82 1a9xC1 LYS 2634 HG2 -0.02 -0.09 -0.01 -0.04 1.46 1.30 1a9xC1 LYS 2634 HG3 -0.02 0.18 -0.14 -0.04 1.46 1.43 1a9xC1 LYS 2634 HD2 -0.01 0.09 -0.15 -0.04 1.69 1.57 1a9xC1 LYS 2634 HD3 -0.01 -0.01 -0.09 -0.04 1.68 1.54 1a9xC1 LYS 2634 HE2 -0.01 -0.07 -0.01 -0.04 2.99 2.86 1a9xC1 LYS 2634 HE3 -0.01 -0.02 -0.01 -0.04 2.99 2.91 1a9xC1 PRO 2635 HA -0.00 0.09 0.47 -0.51 4.44 4.49 1a9xC1 PRO 2635 HB2 -0.03 0.07 -0.09 -0.04 2.28 2.20 1a9xC1 PRO 2635 HB3 -0.02 -0.06 -0.11 -0.04 2.02 1.79 1a9xC1 PRO 2635 HG2 -0.04 0.04 -0.17 -0.04 2.03 1.82 1a9xC1 PRO 2635 HG3 -0.04 -0.06 -0.09 -0.04 2.03 1.79 1a9xC1 PRO 2635 HD2 -0.03 0.10 0.11 -0.04 3.68 3.82 1a9xC1 PRO 2635 HD3 -0.05 0.03 0.05 -0.04 3.65 3.64 1a9xC1 LYS 2636 H 0.00 0.33 0.35 -0.55 8.42 8.54 1a9xC1 LYS 2636 HA -0.00 0.10 0.59 -0.75 4.32 4.26 1a9xC1 LYS 2636 HB2 0.04 -0.07 0.17 -0.04 1.87 1.97 1a9xC1 LYS 2636 HB3 0.01 0.10 0.16 -0.04 1.79 2.01 1a9xC1 LYS 2636 HG2 -0.01 -0.01 -0.18 -0.04 1.46 1.21 1a9xC1 LYS 2636 HG3 0.01 -0.01 0.09 -0.04 1.46 1.51 1a9xC1 LYS 2636 HD2 0.06 -0.01 0.03 -0.04 1.69 1.73 1a9xC1 LYS 2636 HD3 0.13 -0.01 -0.02 -0.04 1.68 1.74 1a9xC1 LYS 2636 HE2 0.04 0.00 -0.02 -0.04 2.99 2.97 1a9xC1 LYS 2636 HE3 0.05 -0.03 0.01 -0.04 2.99 2.97 1a9xC1 GLY 2637 H -0.05 0.31 0.23 -0.55 8.43 8.37 1a9xC1 GLY 2637 HA2 -0.05 0.46 0.80 -0.51 4.01 4.71 1a9xC1 GLY 2637 HA3 -0.08 -0.07 0.29 -0.51 4.01 3.63 1a9xC1 VAL 2638 H -0.06 0.39 0.34 -0.55 8.24 8.36 1a9xC1 VAL 2638 HA -0.07 0.25 0.98 -0.75 4.13 4.54 1a9xC1 VAL 2638 HB -0.04 -0.05 -0.14 -0.04 2.12 1.84 1a9xC1 VAL 2638 HG13 -0.04 -0.03 -0.25 -0.04 0.97 0.61 1a9xC1 VAL 2638 HG23 -0.04 0.04 -0.37 -0.04 0.95 0.53 1a9xC1 ILE 2639 H -0.09 0.77 0.36 -0.55 8.25 8.74 1a9xC1 ILE 2639 HA -0.11 0.18 0.85 -0.75 4.18 4.34 1a9xC1 ILE 2639 HB -0.17 0.02 0.26 -0.04 1.89 1.97 1a9xC1 ILE 2639 HG12 -0.21 0.04 -0.05 -0.04 1.49 1.23 1a9xC1 ILE 2639 HG13 -0.16 0.01 -0.18 -0.04 1.21 0.84 1a9xC1 ILE 2639 HG23 -0.40 -0.05 -0.07 -0.04 0.93 0.36 1a9xC1 ILE 2639 HD13 -0.26 0.01 -0.07 -0.04 0.88 0.52 1a9xC1 VAL 2640 H -0.05 0.31 0.23 -0.55 8.24 8.18 1a9xC1 VAL 2640 HA -0.02 0.23 1.07 -0.75 4.13 4.65 1a9xC1 VAL 2640 HB -0.02 0.05 -0.03 -0.04 2.12 2.08 1a9xC1 VAL 2640 HG13 -0.03 0.03 -0.24 -0.04 0.97 0.69 1a9xC1 VAL 2640 HG23 -0.01 0.03 -0.09 -0.04 0.95 0.83 1a9xC1 GLN 2641 H -0.02 0.11 0.09 -0.55 8.47 8.11 1a9xC1 GLN 2641 HA 0.08 0.21 0.64 -0.75 4.36 4.53 1a9xC1 GLN 2641 HB2 0.13 -0.02 0.14 -0.04 2.15 2.37 1a9xC1 GLN 2641 HB3 0.15 -0.08 0.27 -0.04 2.02 2.32 1a9xC1 GLN 2641 HG2 0.04 0.11 0.16 -0.04 2.40 2.68 1a9xC1 GLN 2641 HG3 0.03 0.04 0.03 -0.04 2.39 2.46 1a9xC1 GLN 2641 HE21 -0.02 0.57 0.12 -0.04 6.97 7.60 1a9xC1 GLN 2641 HE22 -0.00 0.45 0.09 -0.04 7.69 8.19 1a9xC1 TYR 2642 H 0.21 0.17 -0.27 -0.55 8.29 7.86 1a9xC1 TYR 2642 HA 0.13 0.18 0.99 -0.75 4.56 5.10 1a9xC1 TYR 2642 HB2 0.04 0.07 -0.08 -0.04 3.06 3.05 1a9xC1 TYR 2642 HB3 0.08 -0.01 -0.06 -0.04 2.98 2.94 1a9xC1 TYR 2642 HD2 0.05 -0.03 -0.61 -0.04 7.15 6.51 1a9xC1 TYR 2642 HE2 0.04 0.02 -0.07 -0.04 6.85 6.81 1a9xC1 GLY 2643 H 0.11 0.24 -0.17 -0.55 8.43 8.06 1a9xC1 GLY 2643 HA2 0.13 0.07 0.73 -0.51 4.01 4.43 1a9xC1 GLY 2643 HA3 0.04 0.23 0.16 -0.51 4.01 3.93 1a9xC1 GLY 2644 H -0.06 0.12 -0.27 -0.55 8.43 7.68 1a9xC1 GLY 2644 HA2 -0.76 0.08 0.23 -0.51 4.01 3.05 1a9xC1 GLY 2644 HA3 -0.70 0.13 0.70 -0.51 4.01 3.63 1a9xC1 GLN 2645 H -0.32 0.17 0.15 -0.55 8.47 7.93 1a9xC1 GLN 2645 HA -0.11 0.06 0.38 -0.75 4.36 3.94 1a9xC1 GLN 2645 HB2 -0.15 0.00 0.17 -0.04 2.15 2.13 1a9xC1 GLN 2645 HB3 -0.09 0.08 -0.03 -0.04 2.02 1.93 1a9xC1 GLN 2645 HG2 -0.11 -0.01 0.04 -0.04 2.40 2.28 1a9xC1 GLN 2645 HG3 -0.07 0.05 0.02 -0.04 2.39 2.35 1a9xC1 GLN 2645 HE21 -0.06 0.04 -0.05 -0.04 6.97 6.87 1a9xC1 GLN 2645 HE22 -0.08 -0.03 -0.04 -0.04 7.69 7.50 1a9xC1 THR 2646 H -0.11 0.14 -0.11 -0.55 8.28 7.65 1a9xC1 THR 2646 HA -0.05 0.02 0.42 -0.75 4.39 4.03 1a9xC1 THR 2646 HB -0.06 0.05 0.15 -0.04 4.32 4.42 1a9xC1 THR 2646 HG23 -0.03 -0.02 -0.08 -0.04 1.22 1.05 1a9xC1 PRO 2647 HA -0.02 0.03 0.41 -0.51 4.44 4.35 1a9xC1 PRO 2647 HB2 -0.01 0.21 0.04 -0.04 2.28 2.48 1a9xC1 PRO 2647 HB3 -0.02 -0.00 0.07 -0.04 2.02 2.03 1a9xC1 PRO 2647 HG2 -0.01 -0.21 -0.12 -0.04 2.03 1.65 1a9xC1 PRO 2647 HG3 -0.01 0.30 -0.17 -0.04 2.03 2.11 1a9xC1 PRO 2647 HD2 -0.08 0.04 -0.57 -0.04 3.68 3.02 1a9xC1 PRO 2647 HD3 -0.04 0.19 0.03 -0.04 3.65 3.79 1a9xC1 LEU 2648 H -0.05 0.36 -0.32 -0.55 8.37 7.82 1a9xC1 LEU 2648 HA -0.02 0.04 0.43 -0.75 4.35 4.05 1a9xC1 LEU 2648 HB2 -0.05 0.20 0.09 -0.04 1.64 1.84 1a9xC1 LEU 2648 HB3 -0.05 0.01 0.06 -0.04 1.64 1.62 1a9xC1 LEU 2648 HG -0.02 -0.04 -0.00 -0.04 1.64 1.54 1a9xC1 LEU 2648 HD13 -0.00 0.01 -0.05 -0.04 0.93 0.85 1a9xC1 LEU 2648 HD23 -0.03 -0.01 -0.10 -0.04 0.89 0.70 1a9xC1 LYS 2649 H -0.04 0.67 -0.07 -0.55 8.42 8.43 1a9xC1 LYS 2649 HA -0.02 0.01 0.45 -0.75 4.32 4.00 1a9xC1 LYS 2649 HB2 -0.03 0.21 0.17 -0.04 1.87 2.17 1a9xC1 LYS 2649 HB3 -0.02 -0.09 0.07 -0.04 1.79 1.70 1a9xC1 LYS 2649 HG2 -0.03 -0.05 0.05 -0.04 1.46 1.38 1a9xC1 LYS 2649 HG3 -0.04 0.00 0.08 -0.04 1.46 1.46 1a9xC1 LYS 2649 HD2 -0.05 -0.06 -0.08 -0.04 1.69 1.45 1a9xC1 LYS 2649 HD3 -0.04 -0.01 -0.03 -0.04 1.68 1.56 1a9xC1 LYS 2649 HE2 -0.03 -0.01 0.00 -0.04 2.99 2.91 1a9xC1 LYS 2649 HE3 -0.04 -0.02 -0.01 -0.04 2.99 2.89 1a9xC1 LEU 2650 H -0.02 0.33 -0.43 -0.55 8.37 7.69 1a9xC1 LEU 2650 HA -0.01 -0.01 0.52 -0.75 4.35 4.09 1a9xC1 LEU 2650 HB2 -0.02 0.27 0.04 -0.04 1.64 1.89 1a9xC1 LEU 2650 HB3 -0.01 -0.12 -0.09 -0.04 1.64 1.38 1a9xC1 LEU 2650 HG -0.02 0.29 -0.01 -0.04 1.64 1.86 1a9xC1 LEU 2650 HD13 -0.01 -0.01 -0.35 -0.04 0.93 0.52 1a9xC1 LEU 2650 HD23 -0.01 -0.05 -0.05 -0.04 0.89 0.75 1a9xC1 ALA 2651 H -0.02 0.50 -0.20 -0.55 8.40 8.13 1a9xC1 ALA 2651 HA -0.02 0.00 0.35 -0.75 4.34 3.93 1a9xC1 ALA 2651 HB3 -0.01 0.03 0.10 -0.04 1.41 1.49 1a9xC1 ARG 2652 H -0.01 0.23 -0.24 -0.55 8.46 7.89 1a9xC1 ARG 2652 HA -0.01 0.12 0.66 -0.75 4.34 4.36 1a9xC1 ARG 2652 HB2 -0.01 0.07 0.11 -0.04 1.90 2.03 1a9xC1 ARG 2652 HB3 -0.01 0.01 0.00 -0.04 1.80 1.76 1a9xC1 ARG 2652 HG2 -0.01 0.00 0.01 -0.04 1.67 1.64 1a9xC1 ARG 2652 HG3 -0.01 -0.05 -0.04 -0.04 1.67 1.52 1a9xC1 ARG 2652 HD2 -0.01 -0.00 -0.03 -0.04 3.22 3.14 1a9xC1 ARG 2652 HD3 -0.01 0.04 -0.12 -0.04 3.22 3.09 1a9xC1 ALA 2653 H -0.01 0.20 -0.03 -0.55 8.40 8.02 1a9xC1 ALA 2653 HA -0.01 0.04 0.44 -0.75 4.34 4.06 1a9xC1 ALA 2653 HB3 -0.01 0.02 0.11 -0.04 1.41 1.49 1a9xC1 LEU 2654 H -0.01 0.62 -0.16 -0.55 8.37 8.27 1a9xC1 LEU 2654 HA -0.01 0.03 0.35 -0.75 4.35 3.96 1a9xC1 LEU 2654 HB2 -0.02 0.11 -0.06 -0.04 1.64 1.63 1a9xC1 LEU 2654 HB3 -0.02 -0.00 -0.09 -0.04 1.64 1.49 1a9xC1 LEU 2654 HG -0.01 0.06 -0.05 -0.04 1.64 1.59 1a9xC1 LEU 2654 HD13 -0.02 -0.00 -0.22 -0.04 0.93 0.65 1a9xC1 LEU 2654 HD23 -0.01 -0.02 -0.10 -0.04 0.89 0.72 1a9xC1 GLU 2655 H -0.01 0.39 -0.27 -0.55 8.60 8.17 1a9xC1 GLU 2655 HA -0.01 0.27 0.57 -0.75 4.29 4.37 1a9xC1 GLU 2655 HB2 -0.01 0.01 0.20 -0.04 2.09 2.26 1a9xC1 GLU 2655 HB3 -0.01 0.08 0.30 -0.04 1.99 2.32 1a9xC1 GLU 2655 HG2 -0.01 -0.04 -0.09 -0.04 2.34 2.16 1a9xC1 GLU 2655 HG3 -0.01 0.05 0.02 -0.04 2.34 2.36 1a9xC1 ALA 2656 H -0.01 0.46 -0.08 -0.55 8.40 8.22 1a9xC1 ALA 2656 HA -0.00 0.03 0.41 -0.75 4.34 4.03 1a9xC1 ALA 2656 HB3 -0.00 -0.03 0.12 -0.04 1.41 1.46 1a9xC1 ALA 2657 H -0.01 0.40 -0.32 -0.55 8.40 7.93 1a9xC1 ALA 2657 HA -0.00 0.07 0.65 -0.75 4.34 4.30 1a9xC1 ALA 2657 HB3 -0.00 -0.04 0.10 -0.04 1.41 1.42 1a9xC1 GLY 2658 H -0.01 0.44 -0.67 -0.55 8.43 7.65 1a9xC1 GLY 2658 HA2 -0.01 -0.02 0.27 -0.51 4.01 3.75 1a9xC1 GLY 2658 HA3 -0.01 0.11 0.71 -0.51 4.01 4.31 1a9xC1 VAL 2659 H -0.01 0.64 0.01 -0.55 8.24 8.33 1a9xC1 VAL 2659 HA -0.02 0.18 0.54 -0.75 4.13 4.08 1a9xC1 VAL 2659 HB -0.02 -0.13 -0.20 -0.04 2.12 1.73 1a9xC1 VAL 2659 HG13 -0.03 -0.02 -0.27 -0.04 0.97 0.60 1a9xC1 VAL 2659 HG23 -0.02 -0.00 -0.11 -0.04 0.95 0.78 1a9xC1 PRO 2660 HA -0.02 0.11 0.54 -0.51 4.44 4.56 1a9xC1 PRO 2660 HB2 -0.03 0.07 0.20 -0.04 2.28 2.48 1a9xC1 PRO 2660 HB3 -0.02 0.02 0.11 -0.04 2.02 2.10 1a9xC1 PRO 2660 HG2 -0.03 -0.13 -0.29 -0.04 2.03 1.54 1a9xC1 PRO 2660 HG3 -0.02 0.21 -0.00 -0.04 2.03 2.18 1a9xC1 PRO 2660 HD2 -0.03 -0.04 0.07 -0.04 3.68 3.64 1a9xC1 PRO 2660 HD3 -0.02 0.30 0.17 -0.04 3.65 4.06 1a9xC1 VAL 2661 H -0.02 0.34 0.02 -0.55 8.24 8.03 1a9xC1 VAL 2661 HA -0.04 0.12 0.65 -0.75 4.13 4.10 1a9xC1 VAL 2661 HB -0.02 -0.03 0.15 -0.04 2.12 2.18 1a9xC1 VAL 2661 HG13 -0.03 0.02 -0.06 -0.04 0.97 0.87 1a9xC1 VAL 2661 HG23 -0.02 0.01 -0.12 -0.04 0.95 0.78 1a9xC1 ILE 2662 H -0.06 0.33 0.28 -0.55 8.25 8.25 1a9xC1 ILE 2662 HA -0.03 0.27 0.93 -0.75 4.18 4.60 1a9xC1 ILE 2662 HB -0.06 0.12 0.12 -0.04 1.89 2.03 1a9xC1 ILE 2662 HG12 -0.09 -0.09 -0.18 -0.04 1.49 1.09 1a9xC1 ILE 2662 HG13 -0.10 -0.08 -0.27 -0.04 1.21 0.71 1a9xC1 ILE 2662 HG23 -0.06 -0.00 -0.04 -0.04 0.93 0.79 1a9xC1 ILE 2662 HD13 -0.14 0.01 -0.27 -0.04 0.88 0.43 1a9xC1 GLY 2663 H -0.03 0.21 0.18 -0.55 8.43 8.24 1a9xC1 GLY 2663 HA2 -0.01 0.04 0.38 -0.51 4.01 3.91 1a9xC1 GLY 2663 HA3 -0.02 -0.03 0.61 -0.51 4.01 4.06 1a9xC1 THR 2664 H 0.01 0.17 0.27 -0.55 8.28 8.19 1a9xC1 THR 2664 HA 0.02 0.09 0.44 -0.75 4.39 4.19 1a9xC1 THR 2664 HB 0.02 0.03 0.14 -0.04 4.32 4.47 1a9xC1 THR 2664 HG23 0.02 0.05 -0.10 -0.04 1.22 1.15 1a9xC1 SER 2665 H 0.01 0.15 0.24 -0.55 8.46 8.31 1a9xC1 SER 2665 HA -0.00 0.27 0.38 -0.75 4.49 4.39 1a9xC1 SER 2665 HB2 0.00 0.07 0.18 -0.04 3.95 4.16 1a9xC1 SER 2665 HB3 0.01 0.15 0.20 -0.04 3.93 4.24 1a9xC1 PRO 2666 HA -0.01 0.10 0.40 -0.51 4.44 4.42 1a9xC1 PRO 2666 HB2 -0.01 0.00 0.04 -0.04 2.28 2.28 1a9xC1 PRO 2666 HB3 -0.01 -0.07 -0.16 -0.04 2.02 1.75 1a9xC1 PRO 2666 HG2 -0.01 0.08 0.10 -0.04 2.03 2.17 1a9xC1 PRO 2666 HG3 -0.01 0.07 0.02 -0.04 2.03 2.06 1a9xC1 PRO 2666 HD2 -0.00 0.11 0.23 -0.04 3.68 3.98 1a9xC1 PRO 2666 HD3 -0.01 0.30 0.13 -0.04 3.65 4.03 1a9xC1 ASP 2667 H 0.00 0.17 -0.20 -0.55 8.40 7.82 1a9xC1 ASP 2667 HA -0.00 0.07 0.40 -0.75 4.63 4.35 1a9xC1 ASP 2667 HB2 0.00 0.02 0.07 -0.04 2.71 2.76 1a9xC1 ASP 2667 HB3 0.00 0.05 0.07 -0.04 2.70 2.78 1a9xC1 ALA 2668 H 0.01 0.13 -0.17 -0.55 8.40 7.82 1a9xC1 ALA 2668 HA 0.02 0.05 0.40 -0.75 4.34 4.06 1a9xC1 ALA 2668 HB3 0.02 0.06 0.07 -0.04 1.41 1.52 1a9xC1 ILE 2669 H 0.00 0.58 -0.23 -0.55 8.25 8.05 1a9xC1 ILE 2669 HA -0.01 0.01 0.39 -0.75 4.18 3.81 1a9xC1 ILE 2669 HB -0.01 0.15 0.14 -0.04 1.89 2.13 1a9xC1 ILE 2669 HG12 0.00 0.03 0.02 -0.04 1.49 1.51 1a9xC1 ILE 2669 HG13 0.00 0.11 -0.06 -0.04 1.21 1.22 1a9xC1 ILE 2669 HG23 -0.02 -0.03 -0.09 -0.04 0.93 0.75 1a9xC1 ILE 2669 HD13 0.00 -0.03 -0.13 -0.04 0.88 0.69 1a9xC1 ASP 2670 H -0.00 0.48 -0.26 -0.55 8.40 8.07 1a9xC1 ASP 2670 HA -0.01 -0.05 0.37 -0.75 4.63 4.18 1a9xC1 ASP 2670 HB2 -0.01 0.18 0.18 -0.04 2.71 3.02 1a9xC1 ASP 2670 HB3 -0.00 0.08 0.08 -0.04 2.70 2.81 1a9xC1 ARG 2671 H 0.01 0.54 -0.13 -0.55 8.46 8.33 1a9xC1 ARG 2671 HA 0.02 -0.08 0.43 -0.75 4.34 3.96 1a9xC1 ARG 2671 HB2 0.03 0.14 0.26 -0.04 1.90 2.29 1a9xC1 ARG 2671 HB3 0.07 -0.03 -0.07 -0.04 1.80 1.73 1a9xC1 ARG 2671 HG2 0.01 -0.09 0.03 -0.04 1.67 1.59 1a9xC1 ARG 2671 HG3 0.02 0.00 -0.04 -0.04 1.67 1.61 1a9xC1 ARG 2671 HD2 0.05 -0.04 -0.07 -0.04 3.22 3.12 1a9xC1 ARG 2671 HD3 0.02 -0.04 -0.03 -0.04 3.22 3.13 1a9xC1 ALA 2672 H 0.01 0.63 -0.13 -0.55 8.40 8.36 1a9xC1 ALA 2672 HA 0.01 -0.02 0.41 -0.75 4.34 3.98 1a9xC1 ALA 2672 HB3 -0.07 -0.00 0.05 -0.04 1.41 1.35 1a9xC1 GLU 2673 H -0.04 0.70 0.01 -0.55 8.60 8.72 1a9xC1 GLU 2673 HA -0.12 0.10 0.64 -0.75 4.29 4.15 1a9xC1 GLU 2673 HB2 -0.03 -0.01 0.04 -0.04 2.09 2.04 1a9xC1 GLU 2673 HB3 -0.05 -0.09 0.08 -0.04 1.99 1.89 1a9xC1 GLU 2673 HG2 -0.07 0.02 -0.00 -0.04 2.34 2.25 1a9xC1 GLU 2673 HG3 -0.04 -0.03 -0.05 -0.04 2.34 2.18 1a9xC1 ASP 2674 H -0.01 0.67 -0.13 -0.55 8.40 8.39 1a9xC1 ASP 2674 HA 0.01 -0.00 0.68 -0.75 4.63 4.56 1a9xC1 ASP 2674 HB2 0.00 0.00 0.12 -0.04 2.71 2.79 1a9xC1 ASP 2674 HB3 0.01 0.21 0.24 -0.04 2.70 3.12 1a9xC1 ARG 2675 H 0.04 0.23 0.27 -0.55 8.46 8.45 1a9xC1 ARG 2675 HA 0.15 0.11 0.36 -0.75 4.34 4.20 1a9xC1 ARG 2675 HB2 0.07 -0.03 0.03 -0.04 1.90 1.93 1a9xC1 ARG 2675 HB3 0.08 0.04 0.09 -0.04 1.80 1.97 1a9xC1 ARG 2675 HG2 0.03 0.02 0.09 -0.04 1.67 1.78 1a9xC1 ARG 2675 HG3 0.02 0.18 0.21 -0.04 1.67 2.05 1a9xC1 ARG 2675 HD2 0.03 -0.25 0.26 -0.04 3.22 3.21 1a9xC1 ARG 2675 HD3 0.03 0.03 0.09 -0.04 3.22 3.32 1a9xC1 GLU 2676 H 0.07 0.02 -0.30 -0.55 8.60 7.85 1a9xC1 GLU 2676 HA 0.16 0.12 0.52 -0.75 4.29 4.34 1a9xC1 GLU 2676 HB2 0.05 -0.03 0.09 -0.04 2.09 2.15 1a9xC1 GLU 2676 HB3 -0.00 0.04 -0.04 -0.04 1.99 1.94 1a9xC1 GLU 2676 HG2 0.18 0.02 0.02 -0.04 2.34 2.53 1a9xC1 GLU 2676 HG3 0.08 0.01 -0.01 -0.04 2.34 2.39 1a9xC1 ARG 2677 H 0.01 0.06 -0.04 -0.55 8.46 7.94 1a9xC1 ARG 2677 HA -0.23 -0.01 0.35 -0.75 4.34 3.70 1a9xC1 ARG 2677 HB2 0.06 0.43 0.31 -0.04 1.90 2.66 1a9xC1 ARG 2677 HB3 0.02 -0.05 0.05 -0.04 1.80 1.77 1a9xC1 ARG 2677 HG2 -0.08 -0.10 0.08 -0.04 1.67 1.53 1a9xC1 ARG 2677 HG3 -0.01 0.03 0.09 -0.04 1.67 1.75 1a9xC1 ARG 2677 HD2 -0.01 0.01 0.03 -0.04 3.22 3.21 1a9xC1 ARG 2677 HD3 -0.05 -0.04 0.00 -0.04 3.22 3.10 1a9xC1 PHE 2678 H 0.22 0.74 -0.06 -0.55 8.34 8.69 1a9xC1 PHE 2678 HA 0.03 -0.03 0.30 -0.75 4.62 4.17 1a9xC1 PHE 2678 HB2 0.01 0.26 0.03 -0.04 3.15 3.41 1a9xC1 PHE 2678 HB3 0.03 0.01 0.05 -0.04 3.06 3.11 1a9xC1 PHE 2678 HD2 0.01 0.02 -0.02 -0.04 7.28 7.25 1a9xC1 PHE 2678 HE2 -0.02 0.05 -0.13 -0.04 7.38 7.25 1a9xC1 PHE 2678 HZ -0.05 -0.06 -0.23 -0.04 7.32 6.93 1a9xC1 GLN 2679 H 0.17 0.51 -0.13 -0.55 8.47 8.48 1a9xC1 GLN 2679 HA -0.21 -0.03 0.30 -0.75 4.36 3.68 1a9xC1 GLN 2679 HB2 0.04 0.03 0.15 -0.04 2.15 2.33 1a9xC1 GLN 2679 HB3 0.13 0.22 0.15 -0.04 2.02 2.48 1a9xC1 GLN 2679 HG2 -0.17 -0.01 -0.29 -0.04 2.40 1.89 1a9xC1 GLN 2679 HG3 -0.10 -0.06 0.02 -0.04 2.39 2.21 1a9xC1 GLN 2679 HE21 0.00 -0.04 -0.03 -0.04 6.97 6.86 1a9xC1 GLN 2679 HE22 0.02 0.04 0.00 -0.04 7.69 7.70 1a9xC1 HIS 2680 H 0.26 0.46 -0.56 -0.55 8.41 8.02 1a9xC1 HIS 2680 HA -0.03 -0.02 0.53 -0.75 4.63 4.34 1a9xC1 HIS 2680 HB2 0.01 0.47 0.25 -0.04 3.26 3.95 1a9xC1 HIS 2680 HB3 -0.00 -0.11 0.03 -0.04 3.20 3.08 1a9xC1 HIS 2680 HD2 0.00 -0.03 0.01 -0.04 6.97 6.90 1a9xC1 HIS 2680 HE1 0.01 -0.09 -0.06 -0.04 7.75 7.56 1a9xC1 ALA 2681 H 0.05 0.57 0.13 -0.55 8.40 8.60 1a9xC1 ALA 2681 HA 0.03 0.03 0.50 -0.75 4.34 4.14 1a9xC1 ALA 2681 HB3 0.04 0.00 0.04 -0.04 1.41 1.46 1a9xC1 VAL 2682 H -0.30 0.63 -0.02 -0.55 8.24 8.00 1a9xC1 VAL 2682 HA -0.17 -0.02 0.19 -0.75 4.13 3.38 1a9xC1 VAL 2682 HB -0.45 0.08 -0.05 -0.04 2.12 1.66 1a9xC1 VAL 2682 HG13 -0.17 -0.01 -0.29 -0.04 0.97 0.46 1a9xC1 VAL 2682 HG23 -0.83 -0.01 -0.12 -0.04 0.95 -0.05 1a9xC1 GLU 2683 H -0.11 0.28 -0.68 -0.55 8.60 7.55 1a9xC1 GLU 2683 HA -0.07 0.02 0.41 -0.75 4.29 3.90 1a9xC1 GLU 2683 HB2 -0.07 0.17 0.25 -0.04 2.09 2.40 1a9xC1 GLU 2683 HB3 -0.06 -0.06 0.04 -0.04 1.99 1.87 1a9xC1 GLU 2683 HG2 -0.09 -0.10 0.07 -0.04 2.34 2.19 1a9xC1 GLU 2683 HG3 -0.12 0.53 0.21 -0.04 2.34 2.92 1a9xC1 ARG 2684 H -0.03 0.55 0.06 -0.55 8.46 8.49 1a9xC1 ARG 2684 HA -0.01 -0.06 0.40 -0.75 4.34 3.91 1a9xC1 ARG 2684 HB2 0.02 0.03 0.23 -0.04 1.90 2.13 1a9xC1 ARG 2684 HB3 0.00 0.21 0.29 -0.04 1.80 2.26 1a9xC1 ARG 2684 HG2 0.01 0.01 -0.19 -0.04 1.67 1.47 1a9xC1 ARG 2684 HG3 0.01 -0.08 0.05 -0.04 1.67 1.61 1a9xC1 ARG 2684 HD2 0.03 -0.02 0.01 -0.04 3.22 3.20 1a9xC1 ARG 2684 HD3 0.03 0.01 0.00 -0.04 3.22 3.22 1a9xC1 LEU 2685 H -0.02 0.51 -0.49 -0.55 8.37 7.82 1a9xC1 LEU 2685 HA 0.01 0.01 0.47 -0.75 4.35 4.08 1a9xC1 LEU 2685 HB2 -0.02 0.06 -0.14 -0.04 1.64 1.51 1a9xC1 LEU 2685 HB3 0.01 -0.08 -0.08 -0.04 1.64 1.45 1a9xC1 LEU 2685 HG 0.01 0.07 -0.12 -0.04 1.64 1.56 1a9xC1 LEU 2685 HD13 0.03 -0.04 -0.25 -0.04 0.93 0.63 1a9xC1 LEU 2685 HD23 0.04 -0.01 -0.05 -0.04 0.89 0.83 1a9xC1 LYS 2686 H -0.03 0.82 -0.17 -0.55 8.42 8.49 1a9xC1 LYS 2686 HA -0.03 0.03 0.48 -0.75 4.32 4.04 1a9xC1 LYS 2686 HB2 -0.01 0.08 -0.01 -0.04 1.87 1.88 1a9xC1 LYS 2686 HB3 -0.02 -0.13 0.17 -0.04 1.79 1.77 1a9xC1 LYS 2686 HG2 -0.02 -0.13 0.02 -0.04 1.46 1.29 1a9xC1 LYS 2686 HG3 -0.02 0.31 -0.00 -0.04 1.46 1.70 1a9xC1 LYS 2686 HD2 -0.01 0.07 -0.18 -0.04 1.69 1.53 1a9xC1 LYS 2686 HD3 -0.01 -0.12 -0.03 -0.04 1.68 1.48 1a9xC1 LYS 2686 HE2 -0.01 -0.11 -0.01 -0.04 2.99 2.81 1a9xC1 LYS 2686 HE3 -0.01 0.14 0.00 -0.04 2.99 3.08 1a9xC1 LEU 2687 H -0.05 0.49 0.15 -0.55 8.37 8.42 1a9xC1 LEU 2687 HA -0.03 0.14 0.81 -0.75 4.35 4.52 1a9xC1 LEU 2687 HB2 -0.04 0.01 -0.06 -0.04 1.64 1.51 1a9xC1 LEU 2687 HB3 0.01 -0.12 0.07 -0.04 1.64 1.55 1a9xC1 LEU 2687 HG -0.00 0.05 -0.34 -0.04 1.64 1.30 1a9xC1 LEU 2687 HD13 0.06 -0.03 -0.08 -0.04 0.93 0.83 1a9xC1 LEU 2687 HD23 0.01 0.07 -0.10 -0.04 0.89 0.83 1a9xC1 LYS 2688 H -0.04 0.14 0.14 -0.55 8.42 8.11 1a9xC1 LYS 2688 HA -0.04 0.13 0.75 -0.75 4.32 4.41 1a9xC1 LYS 2688 HB2 -0.18 0.11 0.28 -0.04 1.87 2.04 1a9xC1 LYS 2688 HB3 -0.34 -0.08 0.08 -0.04 1.79 1.40 1a9xC1 LYS 2688 HG2 -0.13 0.04 -0.02 -0.04 1.46 1.31 1a9xC1 LYS 2688 HG3 -0.22 -0.01 -0.00 -0.04 1.46 1.19 1a9xC1 LYS 2688 HD2 -1.45 -0.03 -0.18 -0.04 1.69 -0.01 1a9xC1 LYS 2688 HD3 -0.25 0.01 -0.08 -0.04 1.68 1.32 1a9xC1 LYS 2688 HE2 -0.22 0.01 -0.03 -0.04 2.99 2.71 1a9xC1 LYS 2688 HE3 -0.50 -0.09 -0.08 -0.04 2.99 2.28 1a9xC1 GLN 2689 H 0.03 0.28 0.22 -0.55 8.47 8.45 1a9xC1 GLN 2689 HA 0.12 0.19 1.02 -0.75 4.36 4.93 1a9xC1 GLN 2689 HB2 -0.05 -0.03 -0.11 -0.04 2.15 1.92 1a9xC1 GLN 2689 HB3 0.00 0.03 -0.04 -0.04 2.02 1.98 1a9xC1 GLN 2689 HG2 0.06 0.13 0.11 -0.04 2.40 2.66 1a9xC1 GLN 2689 HG3 -0.02 -0.03 -0.01 -0.04 2.39 2.30 1a9xC1 GLN 2689 HE21 -0.05 -0.07 -0.05 -0.04 6.97 6.76 1a9xC1 GLN 2689 HE22 0.26 0.09 -0.04 -0.04 7.69 7.96 1a9xC1 PRO 2690 HA 0.09 0.01 0.49 -0.51 4.44 4.52 1a9xC1 PRO 2690 HB2 0.02 0.02 -0.01 -0.04 2.28 2.27 1a9xC1 PRO 2690 HB3 -0.06 0.01 0.09 -0.04 2.02 2.02 1a9xC1 PRO 2690 HG2 0.02 0.04 0.09 -0.04 2.03 2.13 1a9xC1 PRO 2690 HG3 -0.04 -0.07 0.03 -0.04 2.03 1.92 1a9xC1 PRO 2690 HD2 0.08 0.18 0.26 -0.04 3.68 4.17 1a9xC1 PRO 2690 HD3 0.14 0.10 0.21 -0.04 3.65 4.06 1a9xC1 ALA 2691 H 0.06 0.09 0.24 -0.55 8.40 8.25 1a9xC1 ALA 2691 HA 0.01 0.05 0.46 -0.75 4.34 4.11 1a9xC1 ALA 2691 HB3 -0.02 0.01 0.18 -0.04 1.41 1.55 1a9xC1 ASN 2692 H 0.01 0.19 0.31 -0.55 8.53 8.50 1a9xC1 ASN 2692 HA 0.01 0.24 1.06 -0.75 4.76 5.31 1a9xC1 ASN 2692 HB2 0.03 0.00 0.17 -0.04 2.88 3.04 1a9xC1 ASN 2692 HB3 0.03 0.06 0.01 -0.04 2.79 2.85 1a9xC1 ASN 2692 HD21 0.02 -0.02 -0.03 -0.04 7.03 6.95 1a9xC1 ASN 2692 HD22 0.03 -0.02 -0.14 -0.04 7.74 7.57 1a9xC1 ALA 2693 H 0.02 0.78 0.49 -0.55 8.40 9.14 1a9xC1 ALA 2693 HA 0.02 0.11 0.67 -0.75 4.34 4.39 1a9xC1 ALA 2693 HB3 0.01 -0.00 -0.03 -0.04 1.41 1.35 1a9xC1 THR 2694 H 0.03 0.14 0.08 -0.55 8.28 7.98 1a9xC1 THR 2694 HA 0.05 0.43 1.01 -0.75 4.39 5.12 1a9xC1 THR 2694 HB 0.03 -0.08 0.20 -0.04 4.32 4.44 1a9xC1 THR 2694 HG23 0.04 0.03 0.01 -0.04 1.22 1.26 1a9xC1 VAL 2695 H 0.06 0.15 -0.05 -0.55 8.24 7.85 1a9xC1 VAL 2695 HA 0.02 -0.06 0.42 -0.75 4.13 3.75 1a9xC1 VAL 2695 HB 0.11 0.11 -0.02 -0.04 2.12 2.28 1a9xC1 VAL 2695 HG13 -0.01 -0.09 -0.18 -0.04 0.97 0.64 1a9xC1 VAL 2695 HG23 0.03 -0.07 -0.17 -0.04 0.95 0.70 1a9xC1 THR 2696 H -0.01 -0.15 0.17 -0.55 8.28 7.75 1a9xC1 THR 2696 HA 0.03 0.33 0.88 -0.75 4.39 4.88 1a9xC1 THR 2696 HB -0.01 -0.17 0.12 -0.04 4.32 4.22 1a9xC1 THR 2696 HG23 0.01 0.02 0.00 -0.04 1.22 1.21 1a9xC1 ALA 2697 H -0.05 -0.05 0.18 -0.55 8.40 7.93 1a9xC1 ALA 2697 HA -0.13 0.34 0.87 -0.75 4.34 4.68 1a9xC1 ALA 2697 HB3 -0.07 -0.01 0.08 -0.04 1.41 1.37 1a9xC1 ILE 2698 H -0.21 0.22 0.14 -0.55 8.25 7.86 1a9xC1 ILE 2698 HA -0.74 0.18 0.39 -0.75 4.18 3.25 1a9xC1 ILE 2698 HB -0.14 -0.11 0.21 -0.04 1.89 1.81 1a9xC1 ILE 2698 HG12 -0.09 0.06 0.02 -0.04 1.49 1.43 1a9xC1 ILE 2698 HG13 -0.40 0.09 0.03 -0.04 1.21 0.89 1a9xC1 ILE 2698 HG23 -0.10 0.02 -0.09 -0.04 0.93 0.72 1a9xC1 ILE 2698 HD13 -0.14 0.00 0.10 -0.04 0.88 0.80 1a9xC1 GLU 2699 H -0.10 0.17 0.04 -0.55 8.60 8.17 1a9xC1 GLU 2699 HA -0.04 0.05 0.35 -0.75 4.29 3.91 1a9xC1 GLU 2699 HB2 -0.04 0.00 0.06 -0.04 2.09 2.07 1a9xC1 GLU 2699 HB3 -0.02 0.08 0.02 -0.04 1.99 2.03 1a9xC1 GLU 2699 HG2 -0.04 -0.04 0.09 -0.04 2.34 2.31 1a9xC1 GLU 2699 HG3 -0.02 0.08 0.04 -0.04 2.34 2.40 1a9xC1 MET 2700 H -0.08 0.02 -0.65 -0.55 8.47 7.21 1a9xC1 MET 2700 HA -0.02 0.08 0.38 -0.75 4.52 4.21 1a9xC1 MET 2700 HB2 -0.05 -0.10 0.05 -0.04 2.15 2.01 1a9xC1 MET 2700 HB3 -0.06 0.23 0.09 -0.04 2.03 2.25 1a9xC1 MET 2700 HG2 -0.01 0.05 0.00 -0.04 2.63 2.64 1a9xC1 MET 2700 HG3 -0.02 0.06 0.06 -0.04 2.56 2.62 1a9xC1 MET 2700 HE3 0.01 0.11 0.04 -0.04 2.10 2.22 1a9xC1 ALA 2701 H -0.10 0.61 -0.06 -0.55 8.40 8.30 1a9xC1 ALA 2701 HA 0.03 0.03 0.50 -0.75 4.34 4.15 1a9xC1 ALA 2701 HB3 0.05 0.05 0.05 -0.04 1.41 1.52 1a9xC1 VAL 2702 H 0.01 0.40 -0.14 -0.55 8.24 7.96 1a9xC1 VAL 2702 HA 0.13 -0.02 0.26 -0.75 4.13 3.75 1a9xC1 VAL 2702 HB 0.03 0.12 0.05 -0.04 2.12 2.28 1a9xC1 VAL 2702 HG13 0.09 -0.02 -0.01 -0.04 0.97 0.99 1a9xC1 VAL 2702 HG23 0.04 0.05 -0.08 -0.04 0.95 0.91 1a9xC1 GLU 2703 H 0.02 0.32 -0.46 -0.55 8.60 7.93 1a9xC1 GLU 2703 HA 0.03 0.04 0.35 -0.75 4.29 3.95 1a9xC1 GLU 2703 HB2 0.01 -0.02 0.07 -0.04 2.09 2.11 1a9xC1 GLU 2703 HB3 0.00 0.09 0.17 -0.04 1.99 2.21 1a9xC1 GLU 2703 HG2 0.00 -0.01 -0.01 -0.04 2.34 2.28 1a9xC1 GLU 2703 HG3 0.00 0.04 -0.23 -0.04 2.34 2.11 1a9xC1 LYS 2704 H 0.01 0.59 0.05 -0.55 8.42 8.51 1a9xC1 LYS 2704 HA -0.01 0.01 0.32 -0.75 4.32 3.89 1a9xC1 LYS 2704 HB2 0.01 0.06 0.22 -0.04 1.87 2.12 1a9xC1 LYS 2704 HB3 -0.00 -0.02 -0.07 -0.04 1.79 1.65 1a9xC1 LYS 2704 HG2 0.01 -0.01 -0.01 -0.04 1.46 1.41 1a9xC1 LYS 2704 HG3 0.00 -0.03 -0.00 -0.04 1.46 1.39 1a9xC1 LYS 2704 HD2 -0.01 -0.01 0.02 -0.04 1.69 1.65 1a9xC1 LYS 2704 HD3 -0.00 -0.02 0.03 -0.04 1.68 1.64 1a9xC1 LYS 2704 HE2 0.00 -0.02 0.00 -0.04 2.99 2.93 1a9xC1 LYS 2704 HE3 0.00 0.01 0.01 -0.04 2.99 2.97 1a9xC1 ALA 2705 H 0.00 1.11 -0.21 -0.55 8.40 8.76 1a9xC1 ALA 2705 HA -0.21 -0.00 0.22 -0.75 4.34 3.60 1a9xC1 ALA 2705 HB3 -0.18 -0.00 -0.11 -0.04 1.41 1.08 1a9xC1 LYS 2706 H 0.04 0.50 -0.21 -0.55 8.42 8.19 1a9xC1 LYS 2706 HA 0.09 -0.11 0.35 -0.75 4.32 3.90 1a9xC1 LYS 2706 HB2 0.04 0.28 0.30 -0.04 1.87 2.45 1a9xC1 LYS 2706 HB3 0.03 -0.03 -0.00 -0.04 1.79 1.74 1a9xC1 LYS 2706 HG2 0.05 -0.04 0.04 -0.04 1.46 1.47 1a9xC1 LYS 2706 HG3 0.12 -0.11 0.07 -0.04 1.46 1.50 1a9xC1 LYS 2706 HD2 0.10 -0.15 0.01 -0.04 1.69 1.61 1a9xC1 LYS 2706 HD3 0.06 0.24 -0.02 -0.04 1.68 1.91 1a9xC1 LYS 2706 HE2 0.03 0.03 -0.01 -0.04 2.99 3.00 1a9xC1 LYS 2706 HE3 0.04 -0.08 -0.02 -0.04 2.99 2.89 1a9xC1 GLU 2707 H -0.02 0.34 -0.30 -0.55 8.60 8.07 1a9xC1 GLU 2707 HA -0.02 -0.04 0.31 -0.75 4.29 3.78 1a9xC1 GLU 2707 HB2 -0.02 0.04 0.22 -0.04 2.09 2.28 1a9xC1 GLU 2707 HB3 -0.03 0.01 0.01 -0.04 1.99 1.94 1a9xC1 GLU 2707 HG2 -0.02 0.01 -0.02 -0.04 2.34 2.26 1a9xC1 GLU 2707 HG3 -0.01 -0.04 0.00 -0.04 2.34 2.24 1a9xC1 ILE 2708 H -0.07 0.60 0.06 -0.55 8.25 8.29 1a9xC1 ILE 2708 HA -0.08 -0.06 0.36 -0.75 4.18 3.64 1a9xC1 ILE 2708 HB -0.13 -0.04 0.00 -0.04 1.89 1.69 1a9xC1 ILE 2708 HG12 -0.03 -0.05 -0.31 -0.04 1.49 1.06 1a9xC1 ILE 2708 HG13 -0.04 0.04 -0.07 -0.04 1.21 1.10 1a9xC1 ILE 2708 HG23 -0.04 0.03 -0.37 -0.04 0.93 0.51 1a9xC1 ILE 2708 HD13 -0.03 -0.04 -0.37 -0.04 0.88 0.41 1a9xC1 GLY 2709 H -0.19 0.83 -0.11 -0.55 8.43 8.41 1a9xC1 GLY 2709 HA2 -0.08 -0.07 0.28 -0.51 4.01 3.62 1a9xC1 GLY 2709 HA3 -0.19 0.12 0.52 -0.51 4.01 3.96 1a9xC1 TYR 2710 H 0.27 0.04 0.06 -0.55 8.29 8.11 1a9xC1 TYR 2710 HA 0.11 0.06 0.31 -0.75 4.56 4.28 1a9xC1 TYR 2710 HB2 0.08 0.04 0.02 -0.04 3.06 3.15 1a9xC1 TYR 2710 HB3 0.04 -0.07 0.08 -0.04 2.98 2.98 1a9xC1 TYR 2710 HD2 0.02 0.04 -0.22 -0.04 7.15 6.94 1a9xC1 TYR 2710 HE2 0.03 0.04 -0.26 -0.04 6.85 6.62 1a9xC1 PRO 2711 HA 0.23 -0.02 0.53 -0.51 4.44 4.66 1a9xC1 PRO 2711 HB2 -0.50 0.05 -0.00 -0.04 2.28 1.78 1a9xC1 PRO 2711 HB3 -0.81 -0.14 0.16 -0.04 2.02 1.19 1a9xC1 PRO 2711 HG2 0.22 0.02 0.09 -0.04 2.03 2.31 1a9xC1 PRO 2711 HG3 0.10 -0.07 0.10 -0.04 2.03 2.12 1a9xC1 PRO 2711 HD2 0.14 0.21 0.42 -0.04 3.68 4.42 1a9xC1 PRO 2711 HD3 0.22 0.07 0.17 -0.04 3.65 4.06 1a9xC1 LEU 2712 H 0.02 0.59 0.37 -0.55 8.37 8.81 1a9xC1 LEU 2712 HA -0.02 0.44 1.19 -0.75 4.35 5.20 1a9xC1 LEU 2712 HB2 -0.07 -0.15 0.03 -0.04 1.64 1.42 1a9xC1 LEU 2712 HB3 -0.09 -0.03 -0.12 -0.04 1.64 1.36 1a9xC1 LEU 2712 HG -0.10 0.18 -0.13 -0.04 1.64 1.54 1a9xC1 LEU 2712 HD13 -0.60 0.01 -0.47 -0.04 0.93 -0.17 1a9xC1 LEU 2712 HD23 -0.16 -0.03 -0.16 -0.04 0.89 0.51 1a9xC1 VAL 2713 H -0.04 0.70 0.26 -0.55 8.24 8.61 1a9xC1 VAL 2713 HA -0.13 0.24 1.03 -0.75 4.13 4.51 1a9xC1 VAL 2713 HB 0.01 0.04 0.09 -0.04 2.12 2.22 1a9xC1 VAL 2713 HG13 -0.01 -0.00 -0.15 -0.04 0.97 0.76 1a9xC1 VAL 2713 HG23 0.16 -0.01 -0.18 -0.04 0.95 0.87 1a9xC1 VAL 2714 H -0.22 0.41 0.10 -0.55 8.24 7.98 1a9xC1 VAL 2714 HA -0.10 0.40 0.96 -0.75 4.13 4.63 1a9xC1 VAL 2714 HB -0.72 -0.12 0.10 -0.04 2.12 1.34 1a9xC1 VAL 2714 HG13 -0.19 0.03 -0.17 -0.04 0.97 0.60 1a9xC1 VAL 2714 HG23 -0.24 -0.02 -0.13 -0.04 0.95 0.51 1a9xC1 ARG 2715 H -0.03 0.46 0.25 -0.55 8.46 8.59 1a9xC1 ARG 2715 HA -0.01 0.18 0.77 -0.75 4.34 4.53 1a9xC1 ARG 2715 HB2 0.01 0.03 0.19 -0.04 1.90 2.09 1a9xC1 ARG 2715 HB3 0.01 0.01 -0.09 -0.04 1.80 1.70 1a9xC1 ARG 2715 HG2 0.01 0.04 -0.02 -0.04 1.67 1.65 1a9xC1 ARG 2715 HG3 -0.00 -0.07 -0.10 -0.04 1.67 1.46 1a9xC1 ARG 2715 HD2 0.01 0.03 -0.03 -0.04 3.22 3.19 1a9xC1 ARG 2715 HD3 0.02 0.01 -0.02 -0.04 3.22 3.19 1a9xC1 ALA 2716 H 0.03 0.33 0.41 -0.55 8.40 8.61 1a9xC1 ALA 2716 HA 0.05 0.15 0.48 -0.75 4.34 4.27 1a9xC1 ALA 2716 HB3 0.03 0.03 -0.28 -0.04 1.41 1.16 1a9xC1 ALA 2724 HA -0.02 -0.06 0.19 -0.75 4.34 3.71 1a9xC1 ALA 2724 HB3 0.01 -0.01 0.03 -0.04 1.41 1.39 1a9xC1 MET 2725 H -0.00 0.17 0.07 -0.55 8.47 8.16 1a9xC1 MET 2725 HA -0.03 0.26 0.74 -0.75 4.52 4.74 1a9xC1 MET 2725 HB2 0.01 -0.06 -0.20 -0.04 2.15 1.85 1a9xC1 MET 2725 HB3 -0.02 -0.07 -0.19 -0.04 2.03 1.71 1a9xC1 MET 2725 HG2 -0.02 -0.00 -0.07 -0.04 2.63 2.49 1a9xC1 MET 2725 HG3 0.01 0.16 -0.10 -0.04 2.56 2.58 1a9xC1 MET 2725 HE3 0.03 0.01 -0.06 -0.04 2.10 2.04 1a9xC1 GLU 2726 H -0.17 0.51 0.18 -0.55 8.60 8.58 1a9xC1 GLU 2726 HA -0.11 0.27 1.19 -0.75 4.29 4.88 1a9xC1 GLU 2726 HB2 -0.06 0.05 -0.13 -0.04 2.09 1.91 1a9xC1 GLU 2726 HB3 -0.42 0.01 -0.02 -0.04 1.99 1.52 1a9xC1 GLU 2726 HG2 -0.13 0.05 0.11 -0.04 2.34 2.33 1a9xC1 GLU 2726 HG3 -0.06 0.04 0.21 -0.04 2.34 2.49 1a9xC1 ILE 2727 H -0.16 0.23 0.22 -0.55 8.25 7.99 1a9xC1 ILE 2727 HA -0.31 0.54 1.07 -0.75 4.18 4.72 1a9xC1 ILE 2727 HB -0.23 -0.11 0.17 -0.04 1.89 1.68 1a9xC1 ILE 2727 HG12 -0.42 0.15 -0.12 -0.04 1.49 1.06 1a9xC1 ILE 2727 HG13 -0.26 -0.04 -0.23 -0.04 1.21 0.64 1a9xC1 ILE 2727 HG23 -0.95 -0.00 -0.12 -0.04 0.93 -0.18 1a9xC1 ILE 2727 HD13 -0.94 -0.01 -0.03 -0.04 0.88 -0.14 1a9xC1 VAL 2728 H -0.20 0.66 0.27 -0.55 8.24 8.42 1a9xC1 VAL 2728 HA 0.01 0.06 0.88 -0.75 4.13 4.33 1a9xC1 VAL 2728 HB 0.13 -0.00 -0.05 -0.04 2.12 2.17 1a9xC1 VAL 2728 HG13 0.04 -0.04 -0.27 -0.04 0.97 0.66 1a9xC1 VAL 2728 HG23 -0.24 0.05 -0.18 -0.04 0.95 0.54 1a9xC1 TYR 2729 H 0.19 0.05 0.19 -0.55 8.29 8.17 1a9xC1 TYR 2729 HA 0.12 0.25 1.12 -0.75 4.56 5.29 1a9xC1 TYR 2729 HB2 -0.03 -0.09 0.11 -0.04 3.06 3.01 1a9xC1 TYR 2729 HB3 -0.01 0.06 0.07 -0.04 2.98 3.06 1a9xC1 TYR 2729 HD2 -0.00 0.02 -0.02 -0.04 7.15 7.10 1a9xC1 TYR 2729 HE2 -0.03 0.04 -0.01 -0.04 6.85 6.81 1a9xC1 ASP 2730 H -0.05 0.06 0.13 -0.55 8.40 7.99 1a9xC1 ASP 2730 HA -0.91 0.29 0.53 -0.75 4.63 3.79 1a9xC1 ASP 2730 HB2 -0.21 -0.05 0.20 -0.04 2.71 2.62 1a9xC1 ASP 2730 HB3 -0.14 0.27 0.04 -0.04 2.70 2.83 1a9xC1 GLU 2731 H -0.37 0.27 0.13 -0.55 8.60 8.08 1a9xC1 GLU 2731 HA 0.01 0.15 0.37 -0.75 4.29 4.07 1a9xC1 GLU 2731 HB2 0.01 0.14 0.11 -0.04 2.09 2.31 1a9xC1 GLU 2731 HB3 -0.06 -0.03 0.18 -0.04 1.99 2.04 1a9xC1 GLU 2731 HG2 0.02 -0.03 -0.23 -0.04 2.34 2.05 1a9xC1 GLU 2731 HG3 0.06 -0.03 -0.09 -0.04 2.34 2.24 1a9xC1 ALA 2732 H -0.05 0.15 -0.04 -0.55 8.40 7.91 1a9xC1 ALA 2732 HA 0.02 0.12 0.40 -0.75 4.34 4.12 1a9xC1 ALA 2732 HB3 -0.01 0.03 0.09 -0.04 1.41 1.48 1a9xC1 ASP 2733 H -0.02 0.02 -0.27 -0.55 8.40 7.59 1a9xC1 ASP 2733 HA 0.05 0.05 0.32 -0.75 4.63 4.29 1a9xC1 ASP 2733 HB2 -0.01 -0.06 0.17 -0.04 2.71 2.77 1a9xC1 ASP 2733 HB3 0.06 0.06 0.01 -0.04 2.70 2.79 1a9xC1 LEU 2734 H 0.08 0.43 -0.43 -0.55 8.37 7.89 1a9xC1 LEU 2734 HA 0.18 0.02 0.49 -0.75 4.35 4.28 1a9xC1 LEU 2734 HB2 0.33 -0.06 -0.01 -0.04 1.64 1.87 1a9xC1 LEU 2734 HB3 0.23 0.15 0.12 -0.04 1.64 2.09 1a9xC1 LEU 2734 HG 0.41 -0.00 -0.35 -0.04 1.64 1.65 1a9xC1 LEU 2734 HD13 0.31 -0.01 0.05 -0.04 0.93 1.24 1a9xC1 LEU 2734 HD23 0.28 -0.01 -0.20 -0.04 0.89 0.92 1a9xC1 ARG 2735 H 0.13 0.42 0.03 -0.55 8.46 8.49 1a9xC1 ARG 2735 HA 0.21 0.04 0.48 -0.75 4.34 4.32 1a9xC1 ARG 2735 HB2 0.08 0.01 0.07 -0.04 1.90 2.02 1a9xC1 ARG 2735 HB3 0.08 -0.01 0.07 -0.04 1.80 1.89 1a9xC1 ARG 2735 HG2 0.09 0.04 0.05 -0.04 1.67 1.81 1a9xC1 ARG 2735 HG3 0.06 0.02 0.23 -0.04 1.67 1.94 1a9xC1 ARG 2735 HD2 0.03 -0.04 -0.00 -0.04 3.22 3.17 1a9xC1 ARG 2735 HD3 0.04 0.02 -0.00 -0.04 3.22 3.24 1a9xC1 ARG 2736 H 0.09 0.58 0.03 -0.55 8.46 8.61 1a9xC1 ARG 2736 HA 0.06 -0.01 0.28 -0.75 4.34 3.92 1a9xC1 ARG 2736 HB2 0.07 0.17 0.08 -0.04 1.90 2.18 1a9xC1 ARG 2736 HB3 0.09 0.24 0.08 -0.04 1.80 2.17 1a9xC1 ARG 2736 HG2 0.04 0.04 0.02 -0.04 1.67 1.73 1a9xC1 ARG 2736 HG3 0.03 -0.05 -0.04 -0.04 1.67 1.57 1a9xC1 ARG 2736 HD2 0.02 -0.04 -0.01 -0.04 3.22 3.16 1a9xC1 ARG 2736 HD3 0.04 -0.16 0.04 -0.04 3.22 3.09 1a9xC1 TYR 2737 H 0.21 0.31 -0.59 -0.55 8.29 7.68 1a9xC1 TYR 2737 HA -0.03 0.00 0.46 -0.75 4.56 4.24 1a9xC1 TYR 2737 HB2 -0.05 -0.04 0.11 -0.04 3.06 3.04 1a9xC1 TYR 2737 HB3 -0.07 0.15 0.22 -0.04 2.98 3.24 1a9xC1 TYR 2737 HD2 -0.50 -0.02 -0.02 -0.04 7.15 6.56 1a9xC1 TYR 2737 HE2 -0.37 0.03 -0.11 -0.04 6.85 6.35 1a9xC1 PHE 2738 H 0.24 0.38 0.11 -0.55 8.34 8.52 1a9xC1 PHE 2738 HA -0.24 0.02 0.30 -0.75 4.62 3.94 1a9xC1 PHE 2738 HB2 0.06 0.12 0.24 -0.04 3.15 3.54 1a9xC1 PHE 2738 HB3 0.00 -0.07 -0.02 -0.04 3.06 2.93 1a9xC1 PHE 2738 HD2 0.07 0.10 0.04 -0.04 7.28 7.44 1a9xC1 PHE 2738 HE2 0.09 0.02 -0.08 -0.04 7.38 7.37 1a9xC1 PHE 2738 HZ 0.10 0.06 -0.15 -0.04 7.32 7.30 1a9xC1 GLN 2739 H 0.09 0.37 -0.65 -0.55 8.47 7.73 1a9xC1 GLN 2739 HA 0.04 0.02 0.44 -0.75 4.36 4.11 1a9xC1 GLN 2739 HB2 0.04 -0.09 -0.02 -0.04 2.15 2.04 1a9xC1 GLN 2739 HB3 0.04 0.07 0.00 -0.04 2.02 2.09 1a9xC1 GLN 2739 HG2 -0.00 0.07 -0.21 -0.04 2.40 2.23 1a9xC1 GLN 2739 HG3 0.01 -0.00 -0.15 -0.04 2.39 2.21 1a9xC1 GLN 2739 HE21 0.00 -0.04 -0.03 -0.04 6.97 6.87 1a9xC1 GLN 2739 HE22 0.00 0.04 -0.06 -0.04 7.69 7.63 1a9xC1 THR 2740 H -0.02 0.29 0.10 -0.55 8.28 8.11 1a9xC1 THR 2740 HA -0.04 -0.03 0.38 -0.75 4.39 3.94 1a9xC1 THR 2740 HB -0.03 -0.07 0.10 -0.04 4.32 4.28 1a9xC1 THR 2740 HG23 0.00 0.05 0.17 -0.04 1.22 1.40 1a9xC1 ALA 2741 H -0.31 0.96 -0.27 -0.55 8.40 8.24 1a9xC1 ALA 2741 HA -0.38 -0.03 0.06 -0.75 4.34 3.24 1a9xC1 ALA 2741 HB3 -0.79 0.00 -0.15 -0.04 1.41 0.44 1a9xC1 VAL 2750 HA 0.09 0.00 0.36 -0.75 4.13 3.83 1a9xC1 VAL 2750 HB 0.21 0.05 0.01 -0.04 2.12 2.34 1a9xC1 VAL 2750 HG13 0.32 -0.05 -0.28 -0.04 0.97 0.92 1a9xC1 VAL 2750 HG23 0.20 -0.02 0.38 -0.04 0.95 1.47 1a9xC1 LEU 2751 H 0.06 0.68 0.36 -0.55 8.37 8.92 1a9xC1 LEU 2751 HA 0.05 0.26 1.23 -0.75 4.35 5.14 1a9xC1 LEU 2751 HB2 0.03 0.00 0.21 -0.04 1.64 1.84 1a9xC1 LEU 2751 HB3 0.03 -0.02 0.04 -0.04 1.64 1.65 1a9xC1 LEU 2751 HG 0.05 0.06 -0.06 -0.04 1.64 1.64 1a9xC1 LEU 2751 HD13 0.04 -0.00 0.01 -0.04 0.93 0.93 1a9xC1 LEU 2751 HD23 0.05 -0.02 -0.01 -0.04 0.89 0.87 1a9xC1 LEU 2752 H 0.03 0.84 0.49 -0.55 8.37 9.19 1a9xC1 LEU 2752 HA -0.00 0.11 0.90 -0.75 4.35 4.61 1a9xC1 LEU 2752 HB2 0.03 -0.03 0.10 -0.04 1.64 1.69 1a9xC1 LEU 2752 HB3 -0.01 0.01 -0.13 -0.04 1.64 1.47 1a9xC1 LEU 2752 HG 0.02 -0.06 -0.11 -0.04 1.64 1.45 1a9xC1 LEU 2752 HD13 0.11 0.07 -0.36 -0.04 0.93 0.71 1a9xC1 LEU 2752 HD23 0.08 -0.04 -0.11 -0.04 0.89 0.77 1a9xC1 ASP 2753 H -0.01 0.24 0.25 -0.55 8.40 8.33 1a9xC1 ASP 2753 HA 0.02 0.32 1.15 -0.75 4.63 5.37 1a9xC1 ASP 2753 HB2 0.01 0.03 0.11 -0.04 2.71 2.81 1a9xC1 ASP 2753 HB3 0.01 0.08 -0.10 -0.04 2.70 2.65 1a9xC1 HIS 2754 H 0.08 0.56 0.15 -0.55 8.41 8.65 1a9xC1 HIS 2754 HA -0.06 0.18 0.60 -0.75 4.63 4.59 1a9xC1 HIS 2754 HB2 -0.06 0.09 0.11 -0.04 3.26 3.36 1a9xC1 HIS 2754 HB3 -0.08 -0.21 0.12 -0.04 3.20 2.98 1a9xC1 HIS 2754 HD2 -0.14 -0.13 -0.12 -0.04 6.97 6.53 1a9xC1 HIS 2754 HE1 0.01 0.16 -0.78 -0.04 7.75 7.10 1a9xC1 PHE 2755 H -0.27 0.87 0.37 -0.55 8.34 8.76 1a9xC1 PHE 2755 HA -0.27 0.04 0.56 -0.75 4.62 4.20 1a9xC1 PHE 2755 HB2 -0.24 -0.05 -0.41 -0.04 3.15 2.41 1a9xC1 PHE 2755 HB3 -0.32 0.01 -0.05 -0.04 3.06 2.66 1a9xC1 PHE 2755 HD2 -0.17 0.00 -0.14 -0.04 7.28 6.93 1a9xC1 PHE 2755 HE2 -0.03 -0.11 -0.16 -0.04 7.38 7.04 1a9xC1 PHE 2755 HZ -0.01 0.09 -0.04 -0.04 7.32 7.33 1a9xC1 LEU 2756 H -0.66 0.18 0.03 -0.55 8.37 7.37 1a9xC1 LEU 2756 HA -0.55 0.13 0.53 -0.75 4.35 3.70 1a9xC1 LEU 2756 HB2 -0.44 -0.08 0.09 -0.04 1.64 1.17 1a9xC1 LEU 2756 HB3 -0.42 -0.01 -0.06 -0.04 1.64 1.11 1a9xC1 LEU 2756 HG -0.36 0.12 -0.02 -0.04 1.64 1.34 1a9xC1 LEU 2756 HD13 -0.56 -0.01 -0.09 -0.04 0.93 0.23 1a9xC1 LEU 2756 HD23 -0.47 0.01 -0.20 -0.04 0.89 0.19 1a9xC1 ASP 2757 H -0.38 0.31 0.15 -0.55 8.40 7.94 1a9xC1 ASP 2757 HA -0.24 -0.00 0.38 -0.75 4.63 4.01 1a9xC1 ASP 2757 HB2 -0.01 0.15 0.16 -0.04 2.71 2.97 1a9xC1 ASP 2757 HB3 0.01 0.01 -0.04 -0.04 2.70 2.64 1a9xC1 ASP 2758 H 0.03 0.08 0.17 -0.55 8.40 8.13 1a9xC1 ASP 2758 HA 0.02 -0.04 0.39 -0.75 4.63 4.24 1a9xC1 ASP 2758 HB2 -0.00 0.12 0.03 -0.04 2.71 2.82 1a9xC1 ASP 2758 HB3 0.01 -0.01 0.20 -0.04 2.70 2.85 1a9xC1 ALA 2759 H -0.10 0.12 -0.24 -0.55 8.40 7.64 1a9xC1 ALA 2759 HA -0.05 0.28 0.86 -0.75 4.34 4.67 1a9xC1 ALA 2759 HB3 -0.15 0.00 -0.16 -0.04 1.41 1.07 1a9xC1 VAL 2760 H -0.02 0.50 0.33 -0.55 8.24 8.50 1a9xC1 VAL 2760 HA 0.01 0.15 0.82 -0.75 4.13 4.35 1a9xC1 VAL 2760 HB -0.04 -0.07 0.18 -0.04 2.12 2.15 1a9xC1 VAL 2760 HG13 -0.03 0.04 -0.05 -0.04 0.97 0.88 1a9xC1 VAL 2760 HG23 -0.05 0.03 0.00 -0.04 0.95 0.89 1a9xC1 GLU 2761 H -0.00 0.28 0.18 -0.55 8.60 8.51 1a9xC1 GLU 2761 HA -0.08 0.30 1.04 -0.75 4.29 4.80 1a9xC1 GLU 2761 HB2 0.05 -0.11 -0.01 -0.04 2.09 1.97 1a9xC1 GLU 2761 HB3 -0.02 0.05 0.06 -0.04 1.99 2.04 1a9xC1 GLU 2761 HG2 -0.43 -0.05 -0.15 -0.04 2.34 1.67 1a9xC1 GLU 2761 HG3 -0.10 0.25 0.17 -0.04 2.34 2.62 1a9xC1 VAL 2762 H -0.09 0.58 0.31 -0.55 8.24 8.49 1a9xC1 VAL 2762 HA -0.24 0.28 1.23 -0.75 4.13 4.65 1a9xC1 VAL 2762 HB 0.10 -0.07 -0.03 -0.04 2.12 2.07 1a9xC1 VAL 2762 HG13 0.06 0.04 -0.18 -0.04 0.97 0.85 1a9xC1 VAL 2762 HG23 -0.04 -0.03 -0.27 -0.04 0.95 0.57 1a9xC1 ASP 2763 H 0.06 0.75 0.41 -0.55 8.40 9.06 1a9xC1 ASP 2763 HA 0.09 0.26 1.15 -0.75 4.63 5.37 1a9xC1 ASP 2763 HB2 0.27 0.01 0.08 -0.04 2.71 3.02 1a9xC1 ASP 2763 HB3 0.14 -0.02 -0.07 -0.04 2.70 2.71 1a9xC1 VAL 2764 H 0.09 0.67 0.38 -0.55 8.24 8.83 1a9xC1 VAL 2764 HA 0.10 0.46 1.28 -0.75 4.13 5.22 1a9xC1 VAL 2764 HB 0.20 -0.04 0.13 -0.04 2.12 2.36 1a9xC1 VAL 2764 HG13 0.09 -0.00 -0.22 -0.04 0.97 0.80 1a9xC1 VAL 2764 HG23 0.25 -0.01 -0.20 -0.04 0.95 0.95 1a9xC1 ASP 2765 H 0.07 0.56 0.33 -0.55 8.40 8.80 1a9xC1 ASP 2765 HA 0.03 0.28 1.09 -0.75 4.63 5.27 1a9xC1 ASP 2765 HB2 0.04 0.02 0.05 -0.04 2.71 2.78 1a9xC1 ASP 2765 HB3 0.02 0.03 0.03 -0.04 2.70 2.74 1a9xC1 ALA 2766 H 0.02 0.68 0.39 -0.55 8.40 8.95 1a9xC1 ALA 2766 HA 0.01 0.10 0.72 -0.75 4.34 4.41 1a9xC1 ALA 2766 HB3 -0.00 0.01 -0.22 -0.04 1.41 1.17 1a9xC1 ILE 2767 H -0.00 0.68 0.23 -0.55 8.25 8.61 1a9xC1 ILE 2767 HA 0.02 0.30 0.76 -0.75 4.18 4.50 1a9xC1 ILE 2767 HB 0.02 -0.00 0.01 -0.04 1.89 1.87 1a9xC1 ILE 2767 HG12 0.04 -0.01 -0.26 -0.04 1.49 1.22 1a9xC1 ILE 2767 HG13 0.02 -0.09 -0.36 -0.04 1.21 0.74 1a9xC1 ILE 2767 HG23 0.04 -0.01 -0.25 -0.04 0.93 0.67 1a9xC1 ILE 2767 HD13 0.04 0.00 -0.13 -0.04 0.88 0.75 1a9xC1 CYS 2768 H 0.00 0.54 0.17 -0.55 8.50 8.66 1a9xC1 CYS 2768 HA -0.05 0.25 1.11 -0.75 4.58 5.14 1a9xC1 CYS 2768 HB2 -0.14 -0.04 -0.13 -0.04 2.97 2.62 1a9xC1 CYS 2768 HB3 -0.03 0.03 -0.13 -0.04 2.97 2.79 1a9xC1 ASP 2769 H 0.06 0.49 0.25 -0.55 8.40 8.66 1a9xC1 ASP 2769 HA 0.05 0.34 1.13 -0.75 4.63 5.40 1a9xC1 ASP 2769 HB2 0.05 0.14 0.19 -0.04 2.71 3.05 1a9xC1 ASP 2769 HB3 0.04 0.04 -0.02 -0.04 2.70 2.71 1a9xC1 GLY 2770 H 0.14 0.13 -0.22 -0.55 8.43 7.93 1a9xC1 GLY 2770 HA2 0.25 0.10 0.26 -0.51 4.01 4.11 1a9xC1 GLY 2770 HA3 0.11 0.19 0.47 -0.51 4.01 4.28 1a9xC1 GLU 2771 H 0.15 -0.12 -0.70 -0.55 8.60 7.38 1a9xC1 GLU 2771 HA 0.04 0.22 0.72 -0.75 4.29 4.51 1a9xC1 GLU 2771 HB2 0.07 0.05 0.02 -0.04 2.09 2.19 1a9xC1 GLU 2771 HB3 0.08 -0.06 -0.13 -0.04 1.99 1.83 1a9xC1 GLU 2771 HG2 0.03 0.01 0.00 -0.04 2.34 2.33 1a9xC1 GLU 2771 HG3 0.02 0.08 -0.01 -0.04 2.34 2.40 1a9xC1 MET 2772 H 0.18 -0.08 0.10 -0.55 8.47 8.12 1a9xC1 MET 2772 HA 0.38 0.22 0.48 -0.75 4.52 4.84 1a9xC1 MET 2772 HB2 0.10 0.04 0.11 -0.04 2.15 2.35 1a9xC1 MET 2772 HB3 0.11 0.14 -0.19 -0.04 2.03 2.04 1a9xC1 MET 2772 HG2 0.07 -0.15 -0.07 -0.04 2.63 2.43 1a9xC1 MET 2772 HG3 0.05 0.01 -0.25 -0.04 2.56 2.33 1a9xC1 MET 2772 HE3 0.03 0.04 -0.03 -0.04 2.10 2.10 1a9xC1 VAL 2773 H 0.03 0.26 0.08 -0.55 8.24 8.06 1a9xC1 VAL 2773 HA -0.09 0.23 1.06 -0.75 4.13 4.58 1a9xC1 VAL 2773 HB -0.15 0.00 0.10 -0.04 2.12 2.03 1a9xC1 VAL 2773 HG13 -0.10 -0.01 -0.35 -0.04 0.97 0.46 1a9xC1 VAL 2773 HG23 -0.69 -0.01 -0.21 -0.04 0.95 0.00 1a9xC1 LEU 2774 H -0.01 0.75 0.26 -0.55 8.37 8.82 1a9xC1 LEU 2774 HA -0.00 0.20 0.85 -0.75 4.35 4.65 1a9xC1 LEU 2774 HB2 0.01 0.06 -0.08 -0.04 1.64 1.59 1a9xC1 LEU 2774 HB3 0.01 -0.08 0.05 -0.04 1.64 1.58 1a9xC1 LEU 2774 HG 0.00 0.03 -0.85 -0.04 1.64 0.78 1a9xC1 LEU 2774 HD13 -0.00 0.03 -0.57 -0.04 0.93 0.35 1a9xC1 LEU 2774 HD23 0.01 0.02 -0.25 -0.04 0.89 0.62 1a9xC1 ILE 2775 H -0.00 0.19 0.13 -0.55 8.25 8.01 1a9xC1 ILE 2775 HA 0.00 0.02 0.55 -0.75 4.18 4.00 1a9xC1 ILE 2775 HB -0.00 0.00 0.11 -0.04 1.89 1.96 1a9xC1 ILE 2775 HG12 -0.01 0.08 0.02 -0.04 1.49 1.55 1a9xC1 ILE 2775 HG13 0.00 -0.01 0.01 -0.04 1.21 1.16 1a9xC1 ILE 2775 HG23 0.02 -0.00 -0.18 -0.04 0.93 0.73 1a9xC1 ILE 2775 HD13 0.01 0.00 -0.15 -0.04 0.88 0.70 1a9xC1 GLY 2776 H 0.02 0.43 0.56 -0.55 8.43 8.89 1a9xC1 GLY 2776 HA2 0.00 0.14 0.63 -0.51 4.01 4.27 1a9xC1 GLY 2776 HA3 0.01 -0.09 0.23 -0.51 4.01 3.65 1a9xC1 GLY 2777 H 0.03 0.32 0.21 -0.55 8.43 8.45 1a9xC1 GLY 2777 HA2 0.02 0.11 0.45 -0.51 4.01 4.09 1a9xC1 GLY 2777 HA3 0.04 0.07 0.39 -0.51 4.01 4.00 1a9xC1 ILE 2778 H 0.05 0.24 0.18 -0.55 8.25 8.18 1a9xC1 ILE 2778 HA 0.08 0.22 1.02 -0.75 4.18 4.76 1a9xC1 ILE 2778 HB 0.04 -0.03 0.22 -0.04 1.89 2.08 1a9xC1 ILE 2778 HG12 0.04 0.01 -0.11 -0.04 1.49 1.38 1a9xC1 ILE 2778 HG13 0.02 0.02 -0.01 -0.04 1.21 1.20 1a9xC1 ILE 2778 HG23 0.03 -0.01 -0.11 -0.04 0.93 0.79 1a9xC1 ILE 2778 HD13 -0.02 -0.00 -0.02 -0.04 0.88 0.80 1a9xC1 MET 2779 H 0.13 0.98 0.45 -0.55 8.47 9.48 1a9xC1 MET 2779 HA 0.19 0.41 1.25 -0.75 4.52 5.62 1a9xC1 MET 2779 HB2 0.20 -0.11 0.07 -0.04 2.15 2.28 1a9xC1 MET 2779 HB3 0.23 -0.02 -0.13 -0.04 2.03 2.07 1a9xC1 MET 2779 HG2 0.42 0.05 -0.26 -0.04 2.63 2.80 1a9xC1 MET 2779 HG3 0.22 -0.02 -0.51 -0.04 2.56 2.22 1a9xC1 MET 2779 HE3 0.13 0.03 -0.21 -0.04 2.10 2.01 1a9xC1 GLU 2780 H 0.23 0.64 0.32 -0.55 8.60 9.24 1a9xC1 GLU 2780 HA 0.09 0.18 0.91 -0.75 4.29 4.72 1a9xC1 GLU 2780 HB2 0.16 -0.08 0.17 -0.04 2.09 2.30 1a9xC1 GLU 2780 HB3 0.35 -0.04 0.15 -0.04 1.99 2.42 1a9xC1 GLU 2780 HG2 0.08 0.26 0.03 -0.04 2.34 2.67 1a9xC1 GLU 2780 HG3 0.01 -0.00 -0.00 -0.04 2.34 2.30 1a9xC1 HIS 2781 H 0.11 0.57 0.33 -0.55 8.41 8.87 1a9xC1 HIS 2781 HA 0.10 0.22 0.66 -0.75 4.63 4.86 1a9xC1 HIS 2781 HB2 0.08 -0.05 0.09 -0.04 3.26 3.34 1a9xC1 HIS 2781 HB3 0.08 0.02 -0.04 -0.04 3.20 3.22 1a9xC1 HIS 2781 HD2 0.07 -0.12 -0.32 -0.04 6.97 6.56 1a9xC1 HIS 2781 HE1 -0.01 -0.09 -0.10 -0.04 7.75 7.51 1a9xC1 ILE 2782 H 0.19 0.48 0.13 -0.55 8.25 8.51 1a9xC1 ILE 2782 HA 0.28 0.09 0.41 -0.75 4.18 4.21 1a9xC1 ILE 2782 HB 0.19 -0.11 0.18 -0.04 1.89 2.11 1a9xC1 ILE 2782 HG12 0.33 0.02 -0.08 -0.04 1.49 1.73 1a9xC1 ILE 2782 HG13 0.01 0.02 -0.08 -0.04 1.21 1.11 1a9xC1 ILE 2782 HG23 0.13 -0.01 -0.26 -0.04 0.93 0.75 1a9xC1 ILE 2782 HD13 0.19 0.03 -0.40 -0.04 0.88 0.66 1a9xC1 GLU 2783 H 0.14 0.02 0.11 -0.55 8.60 8.32 1a9xC1 GLU 2783 HA 0.13 -0.14 0.31 -0.75 4.29 3.83 1a9xC1 GLU 2783 HB2 0.10 0.02 0.09 -0.04 2.09 2.25 1a9xC1 GLU 2783 HB3 0.11 0.11 -0.05 -0.04 1.99 2.12 1a9xC1 GLU 2783 HG2 0.09 0.07 0.01 -0.04 2.34 2.46 1a9xC1 GLU 2783 HG3 0.10 -0.15 0.02 -0.04 2.34 2.28 1a9xC1 GLN 2784 H 0.11 -0.09 0.14 -0.55 8.47 8.09 1a9xC1 GLN 2784 HA 0.10 0.10 0.52 -0.75 4.36 4.32 1a9xC1 GLN 2784 HB2 0.05 0.33 0.25 -0.04 2.15 2.74 1a9xC1 GLN 2784 HB3 0.08 -0.10 0.16 -0.04 2.02 2.12 1a9xC1 GLN 2784 HG2 0.14 0.13 -0.38 -0.04 2.40 2.25 1a9xC1 GLN 2784 HG3 0.12 -0.06 0.02 -0.04 2.39 2.43 1a9xC1 GLN 2784 HE21 0.10 -0.07 0.05 -0.04 6.97 7.01 1a9xC1 GLN 2784 HE22 0.14 0.08 -0.02 -0.04 7.69 7.85 1a9xC1 ALA 2785 H 0.03 0.28 0.03 -0.55 8.40 8.20 1a9xC1 ALA 2785 HA 0.09 0.03 0.33 -0.75 4.34 4.04 1a9xC1 ALA 2785 HB3 -0.06 0.03 -0.05 -0.04 1.41 1.29 1a9xC1 GLY 2786 H 0.13 0.16 -0.03 -0.55 8.43 8.14 1a9xC1 GLY 2786 HA2 0.29 0.01 0.20 -0.51 4.01 4.01 1a9xC1 GLY 2786 HA3 0.37 0.19 0.74 -0.51 4.01 4.80 1a9xC1 VAL 2787 H 0.13 0.47 -0.17 -0.55 8.24 8.13 1a9xC1 VAL 2787 HA 0.10 0.11 0.42 -0.75 4.13 4.01 1a9xC1 VAL 2787 HB 0.11 0.17 -0.07 -0.04 2.12 2.29 1a9xC1 VAL 2787 HG13 0.09 -0.00 -0.24 -0.04 0.97 0.77 1a9xC1 VAL 2787 HG23 0.10 -0.04 -0.23 -0.04 0.95 0.74 1a9xC1 HIS 2788 H 0.17 0.71 0.01 -0.55 8.41 8.75 1a9xC1 HIS 2788 HA 0.05 0.03 0.26 -0.75 4.63 4.22 1a9xC1 HIS 2788 HB2 0.02 0.16 -0.45 -0.04 3.26 2.95 1a9xC1 HIS 2788 HB3 0.01 -0.11 -0.21 -0.04 3.20 2.85 1a9xC1 HIS 2788 HD2 0.01 0.39 0.08 -0.04 6.97 7.41 1a9xC1 HIS 2788 HE1 0.02 0.07 -0.00 -0.04 7.75 7.79 1a9xC1 SER 2789 H -0.50 0.18 0.12 -0.55 8.46 7.71 1a9xC1 SER 2789 HA -0.18 0.16 0.31 -0.75 4.49 4.02 1a9xC1 SER 2789 HB2 0.02 0.03 0.00 -0.04 3.95 3.97 1a9xC1 SER 2789 HB3 0.08 0.04 0.07 -0.04 3.93 4.09 1a9xC1 GLY 2790 H 1.32 0.06 -0.35 -0.55 8.43 8.91 1a9xC1 GLY 2790 HA2 0.06 0.10 0.25 -0.51 4.01 3.91 1a9xC1 GLY 2790 HA3 0.13 -0.01 0.23 -0.51 4.01 3.85 1a9xC1 ASP 2791 H 0.12 0.56 -0.54 -0.55 8.40 7.99 1a9xC1 ASP 2791 HA -0.00 0.17 0.84 -0.75 4.63 4.89 1a9xC1 ASP 2791 HB2 0.09 0.09 0.00 -0.04 2.71 2.85 1a9xC1 ASP 2791 HB3 0.06 -0.01 0.12 -0.04 2.70 2.83 1a9xC1 SER 2792 H -0.06 0.34 -0.22 -0.55 8.46 7.97 1a9xC1 SER 2792 HA 0.00 0.01 0.74 -0.75 4.49 4.49 1a9xC1 SER 2792 HB2 -0.43 0.06 0.07 -0.04 3.95 3.60 1a9xC1 SER 2792 HB3 -0.13 -0.03 0.05 -0.04 3.93 3.78 1a9xC1 ALA 2793 H 0.06 -0.07 0.26 -0.55 8.40 8.09 1a9xC1 ALA 2793 HA -0.05 0.23 0.71 -0.75 4.34 4.47 1a9xC1 ALA 2793 HB3 0.14 -0.01 0.20 -0.04 1.41 1.70 1a9xC1 CYS 2794 H -0.05 0.76 0.48 -0.55 8.50 9.14 1a9xC1 CYS 2794 HA 0.16 0.17 0.81 -0.75 4.58 4.96 1a9xC1 CYS 2794 HB2 0.22 -0.05 -0.26 -0.04 2.97 2.84 1a9xC1 CYS 2794 HB3 -0.07 0.10 -0.47 -0.04 2.97 2.48 1a9xC1 SER 2795 H 0.25 0.65 0.32 -0.55 8.46 9.13 1a9xC1 SER 2795 HA 0.32 0.28 1.18 -0.75 4.49 5.51 1a9xC1 SER 2795 HB2 0.29 -0.07 -0.10 -0.04 3.95 4.02 1a9xC1 SER 2795 HB3 0.36 -0.12 0.16 -0.04 3.93 4.29 1a9xC1 LEU 2796 H 0.40 0.89 0.35 -0.55 8.37 9.47 1a9xC1 LEU 2796 HA 0.22 0.05 0.90 -0.75 4.35 4.77 1a9xC1 LEU 2796 HB2 0.40 -0.11 -0.23 -0.04 1.64 1.66 1a9xC1 LEU 2796 HB3 0.19 0.01 0.10 -0.04 1.64 1.90 1a9xC1 LEU 2796 HG 0.11 0.08 0.12 -0.04 1.64 1.90 1a9xC1 LEU 2796 HD13 0.03 -0.01 -0.06 -0.04 0.93 0.85 1a9xC1 LEU 2796 HD23 -0.02 0.06 -0.13 -0.04 0.89 0.76 1a9xC1 PRO 2797 HA 0.08 0.07 0.47 -0.51 4.44 4.56 1a9xC1 PRO 2797 HB2 0.00 0.15 -0.09 -0.04 2.28 2.30 1a9xC1 PRO 2797 HB3 -0.03 -0.05 0.15 -0.04 2.02 2.05 1a9xC1 PRO 2797 HG2 -0.38 0.04 0.05 -0.04 2.03 1.70 1a9xC1 PRO 2797 HG3 -0.17 0.09 0.11 -0.04 2.03 2.02 1a9xC1 PRO 2797 HD2 -0.42 0.03 0.54 -0.04 3.68 3.79 1a9xC1 PRO 2797 HD3 -0.16 0.22 0.01 -0.04 3.65 3.68 1a9xC1 ALA 2798 H 0.11 0.10 0.16 -0.55 8.40 8.22 1a9xC1 ALA 2798 HA 0.23 -0.00 0.38 -0.75 4.34 4.20 1a9xC1 ALA 2798 HB3 0.05 -0.01 0.07 -0.04 1.41 1.48 1a9xC1 TYR 2799 H 0.27 0.04 0.18 -0.55 8.29 8.23 1a9xC1 TYR 2799 HA 0.11 0.43 1.21 -0.75 4.56 5.57 1a9xC1 TYR 2799 HB2 -0.45 -0.02 0.12 -0.04 3.06 2.67 1a9xC1 TYR 2799 HB3 -0.11 0.10 -0.04 -0.04 2.98 2.90 1a9xC1 TYR 2799 HD2 -0.53 -0.04 -0.01 -0.04 7.15 6.54 1a9xC1 TYR 2799 HE2 -0.26 0.05 -0.18 -0.04 6.85 6.42 1a9xC1 THR 2800 H -0.32 -0.09 0.05 -0.55 8.28 7.37 1a9xC1 THR 2800 HA -0.25 0.25 0.70 -0.75 4.39 4.34 1a9xC1 THR 2800 HB -0.36 0.05 0.11 -0.04 4.32 4.08 1a9xC1 THR 2800 HG23 -1.35 0.03 -0.25 -0.04 1.22 -0.40 1a9xC1 LEU 2801 H -0.10 0.09 -0.09 -0.55 8.37 7.73 1a9xC1 LEU 2801 HA -0.10 0.26 1.10 -0.75 4.35 4.85 1a9xC1 LEU 2801 HB2 -0.04 -0.02 0.00 -0.04 1.64 1.54 1a9xC1 LEU 2801 HB3 -0.07 0.07 -0.06 -0.04 1.64 1.54 1a9xC1 LEU 2801 HG -0.10 -0.11 -0.18 -0.04 1.64 1.22 1a9xC1 LEU 2801 HD13 -0.04 0.01 -0.12 -0.04 0.93 0.75 1a9xC1 LEU 2801 HD23 -0.08 0.04 -0.06 -0.04 0.89 0.74 1a9xC1 SER 2802 H -0.07 0.14 0.15 -0.55 8.46 8.13 1a9xC1 SER 2802 HA -0.05 0.20 0.48 -0.75 4.49 4.37 1a9xC1 SER 2802 HB2 -0.04 0.05 0.15 -0.04 3.95 4.07 1a9xC1 SER 2802 HB3 -0.06 0.16 0.14 -0.04 3.93 4.13 1a9xC1 GLN 2803 H -0.04 0.25 0.20 -0.55 8.47 8.34 1a9xC1 GLN 2803 HA -0.03 0.14 0.40 -0.75 4.36 4.12 1a9xC1 GLN 2803 HB2 -0.02 0.10 0.13 -0.04 2.15 2.32 1a9xC1 GLN 2803 HB3 -0.03 -0.04 0.11 -0.04 2.02 2.02 1a9xC1 GLN 2803 HG2 -0.02 0.06 -0.02 -0.04 2.40 2.37 1a9xC1 GLN 2803 HG3 -0.03 -0.04 -0.11 -0.04 2.39 2.17 1a9xC1 GLN 2803 HE21 -0.02 0.07 0.00 -0.04 6.97 6.98 1a9xC1 GLN 2803 HE22 -0.02 0.01 0.02 -0.04 7.69 7.65 1a9xC1 GLU 2804 H -0.04 0.07 -0.10 -0.55 8.60 7.98 1a9xC1 GLU 2804 HA -0.04 0.15 0.42 -0.75 4.29 4.07 1a9xC1 GLU 2804 HB2 -0.03 0.09 0.07 -0.04 2.09 2.17 1a9xC1 GLU 2804 HB3 -0.04 -0.06 0.10 -0.04 1.99 1.95 1a9xC1 GLU 2804 HG2 -0.05 0.02 -0.61 -0.04 2.34 1.65 1a9xC1 GLU 2804 HG3 -0.04 0.04 -0.09 -0.04 2.34 2.20 1a9xC1 ILE 2805 H -0.06 -0.03 -0.32 -0.55 8.25 7.29 1a9xC1 ILE 2805 HA -0.09 0.14 0.42 -0.75 4.18 3.90 1a9xC1 ILE 2805 HB -0.07 -0.14 0.12 -0.04 1.89 1.76 1a9xC1 ILE 2805 HG12 -0.07 0.08 -0.04 -0.04 1.49 1.42 1a9xC1 ILE 2805 HG13 -0.06 -0.03 -0.04 -0.04 1.21 1.03 1a9xC1 ILE 2805 HG23 -0.10 0.02 -0.19 -0.04 0.93 0.62 1a9xC1 ILE 2805 HD13 -0.10 0.00 -0.21 -0.04 0.88 0.54 1a9xC1 GLN 2806 H -0.07 0.61 -0.30 -0.55 8.47 8.17 1a9xC1 GLN 2806 HA -0.12 0.01 0.42 -0.75 4.36 3.91 1a9xC1 GLN 2806 HB2 -0.05 0.09 0.10 -0.04 2.15 2.25 1a9xC1 GLN 2806 HB3 -0.05 -0.04 0.02 -0.04 2.02 1.91 1a9xC1 GLN 2806 HG2 -0.05 -0.07 -0.08 -0.04 2.40 2.15 1a9xC1 GLN 2806 HG3 -0.06 0.12 -0.13 -0.04 2.39 2.27 1a9xC1 GLN 2806 HE21 0.00 0.05 -0.01 -0.04 6.97 6.97 1a9xC1 GLN 2806 HE22 -0.00 -0.03 -0.01 -0.04 7.69 7.60 1a9xC1 ASP 2807 H -0.06 0.55 -0.23 -0.55 8.40 8.11 1a9xC1 ASP 2807 HA -0.04 0.01 0.46 -0.75 4.63 4.30 1a9xC1 ASP 2807 HB2 -0.04 0.07 0.19 -0.04 2.71 2.89 1a9xC1 ASP 2807 HB3 -0.03 -0.01 0.01 -0.04 2.70 2.62 1a9xC1 VAL 2808 H -0.09 0.40 -0.27 -0.55 8.24 7.73 1a9xC1 VAL 2808 HA -0.06 0.07 0.40 -0.75 4.13 3.78 1a9xC1 VAL 2808 HB -0.13 0.24 0.13 -0.04 2.12 2.32 1a9xC1 VAL 2808 HG13 -0.12 -0.01 -0.12 -0.04 0.97 0.67 1a9xC1 VAL 2808 HG23 -0.07 0.04 0.06 -0.04 0.95 0.94 1a9xC1 MET 2809 H -0.19 0.33 -0.35 -0.55 8.47 7.70 1a9xC1 MET 2809 HA -0.49 0.07 0.44 -0.75 4.52 3.78 1a9xC1 MET 2809 HB2 -0.28 0.12 0.10 -0.04 2.15 2.05 1a9xC1 MET 2809 HB3 -0.68 -0.04 -0.07 -0.04 2.03 1.20 1a9xC1 MET 2809 HG2 -0.96 -0.01 -0.08 -0.04 2.63 1.54 1a9xC1 MET 2809 HG3 -0.39 0.26 0.01 -0.04 2.56 2.41 1a9xC1 MET 2809 HE3 -0.15 -0.00 -0.17 -0.04 2.10 1.74 1a9xC1 ARG 2810 H -0.08 0.57 -0.04 -0.55 8.46 8.36 1a9xC1 ARG 2810 HA 0.01 -0.03 0.30 -0.75 4.34 3.87 1a9xC1 ARG 2810 HB2 -0.03 0.22 0.18 -0.04 1.90 2.24 1a9xC1 ARG 2810 HB3 -0.01 -0.02 -0.01 -0.04 1.80 1.72 1a9xC1 ARG 2810 HG2 -0.01 -0.08 0.02 -0.04 1.67 1.56 1a9xC1 ARG 2810 HG3 -0.03 0.19 0.05 -0.04 1.67 1.83 1a9xC1 ARG 2810 HD2 -0.02 0.00 -0.02 -0.04 3.22 3.14 1a9xC1 ARG 2810 HD3 -0.01 -0.00 0.00 -0.04 3.22 3.17 1a9xC1 GLN 2811 H -0.03 0.54 -0.34 -0.55 8.47 8.09 1a9xC1 GLN 2811 HA 0.01 0.00 0.38 -0.75 4.36 4.00 1a9xC1 GLN 2811 HB2 -0.02 0.00 0.14 -0.04 2.15 2.23 1a9xC1 GLN 2811 HB3 0.00 0.00 -0.08 -0.04 2.02 1.90 1a9xC1 GLN 2811 HG2 0.01 -0.05 0.01 -0.04 2.40 2.32 1a9xC1 GLN 2811 HG3 -0.01 0.05 -0.01 -0.04 2.39 2.38 1a9xC1 GLN 2811 HE21 0.00 0.00 -0.02 -0.04 6.97 6.92 1a9xC1 GLN 2811 HE22 0.00 -0.02 -0.02 -0.04 7.69 7.61 1a9xC1 GLN 2812 H 0.00 0.37 -0.28 -0.55 8.47 8.02 1a9xC1 GLN 2812 HA 0.07 0.05 0.46 -0.75 4.36 4.19 1a9xC1 GLN 2812 HB2 0.02 0.22 0.24 -0.04 2.15 2.60 1a9xC1 GLN 2812 HB3 0.37 -0.04 0.02 -0.04 2.02 2.33 1a9xC1 GLN 2812 HG2 0.24 -0.05 -0.06 -0.04 2.40 2.50 1a9xC1 GLN 2812 HG3 0.09 0.04 0.03 -0.04 2.39 2.50 1a9xC1 GLN 2812 HE21 0.04 0.07 -0.01 -0.04 6.97 7.03 1a9xC1 GLN 2812 HE22 0.18 -0.02 -0.06 -0.04 7.69 7.74 1a9xC1 VAL 2813 H 0.12 0.82 -0.18 -0.55 8.24 8.45 1a9xC1 VAL 2813 HA 0.11 -0.04 0.29 -0.75 4.13 3.74 1a9xC1 VAL 2813 HB 0.07 0.13 0.11 -0.04 2.12 2.39 1a9xC1 VAL 2813 HG13 0.01 -0.03 -0.28 -0.04 0.97 0.64 1a9xC1 VAL 2813 HG23 0.26 0.00 -0.13 -0.04 0.95 1.04 1a9xC1 GLN 2814 H 0.01 0.60 -0.15 -0.55 8.47 8.38 1a9xC1 GLN 2814 HA -0.20 -0.06 0.34 -0.75 4.36 3.68 1a9xC1 GLN 2814 HB2 -0.04 -0.02 0.07 -0.04 2.15 2.12 1a9xC1 GLN 2814 HB3 0.02 0.17 0.11 -0.04 2.02 2.28 1a9xC1 GLN 2814 HG2 0.16 0.06 -0.31 -0.04 2.40 2.26 1a9xC1 GLN 2814 HG3 -0.36 -0.12 -0.03 -0.04 2.39 1.85 1a9xC1 GLN 2814 HE21 0.09 0.00 0.01 -0.04 6.97 7.03 1a9xC1 GLN 2814 HE22 -0.01 -0.02 0.02 -0.04 7.69 7.64 1a9xC1 LYS 2815 H 0.04 0.57 -0.15 -0.55 8.42 8.33 1a9xC1 LYS 2815 HA 0.13 0.01 0.38 -0.75 4.32 4.08 1a9xC1 LYS 2815 HB2 0.06 0.08 0.04 -0.04 1.87 2.00 1a9xC1 LYS 2815 HB3 0.06 -0.02 0.01 -0.04 1.79 1.80 1a9xC1 LYS 2815 HG2 0.06 -0.01 0.02 -0.04 1.46 1.49 1a9xC1 LYS 2815 HG3 0.07 -0.05 0.03 -0.04 1.46 1.47 1a9xC1 LYS 2815 HD2 0.04 0.06 -0.09 -0.04 1.69 1.66 1a9xC1 LYS 2815 HD3 0.03 0.06 -0.03 -0.04 1.68 1.70 1a9xC1 LYS 2815 HE2 0.03 0.01 -0.00 -0.04 2.99 2.99 1a9xC1 LYS 2815 HE3 0.03 -0.07 -0.04 -0.04 2.99 2.87 1a9xC1 LEU 2816 H 0.04 0.46 -0.39 -0.55 8.37 7.93 1a9xC1 LEU 2816 HA 0.06 0.10 0.57 -0.75 4.35 4.33 1a9xC1 LEU 2816 HB2 0.04 0.06 0.04 -0.04 1.64 1.74 1a9xC1 LEU 2816 HB3 0.07 -0.08 -0.07 -0.04 1.64 1.53 1a9xC1 LEU 2816 HG 0.07 0.06 -0.11 -0.04 1.64 1.61 1a9xC1 LEU 2816 HD13 0.07 -0.02 -0.16 -0.04 0.93 0.77 1a9xC1 LEU 2816 HD23 0.11 -0.01 -0.13 -0.04 0.89 0.81 1a9xC1 ALA 2817 H -0.06 0.62 -0.07 -0.55 8.40 8.34 1a9xC1 ALA 2817 HA -0.05 -0.04 0.24 -0.75 4.34 3.73 1a9xC1 ALA 2817 HB3 -0.31 0.02 -0.01 -0.04 1.41 1.08 1a9xC1 PHE 2818 H -0.17 0.52 -0.17 -0.55 8.34 7.97 1a9xC1 PHE 2818 HA 0.02 0.02 0.32 -0.75 4.62 4.23 1a9xC1 PHE 2818 HB2 0.02 0.07 0.03 -0.04 3.15 3.24 1a9xC1 PHE 2818 HB3 0.02 0.02 -0.07 -0.04 3.06 2.99 1a9xC1 PHE 2818 HD2 0.02 0.03 -0.11 -0.04 7.28 7.18 1a9xC1 PHE 2818 HE2 0.02 -0.12 -0.36 -0.04 7.38 6.87 1a9xC1 PHE 2818 HZ 0.01 -0.06 -0.35 -0.04 7.32 6.88 1a9xC1 GLU 2819 H 0.15 0.37 -0.32 -0.55 8.60 8.26 1a9xC1 GLU 2819 HA 0.10 0.01 0.35 -0.75 4.29 3.99 1a9xC1 GLU 2819 HB2 0.08 -0.00 0.11 -0.04 2.09 2.23 1a9xC1 GLU 2819 HB3 0.08 0.06 0.16 -0.04 1.99 2.24 1a9xC1 GLU 2819 HG2 0.05 -0.03 -0.07 -0.04 2.34 2.25 1a9xC1 GLU 2819 HG3 0.06 -0.01 -0.30 -0.04 2.34 2.05 1a9xC1 LEU 2820 H 0.07 0.77 -0.23 -0.55 8.37 8.44 1a9xC1 LEU 2820 HA 0.06 0.08 0.53 -0.75 4.35 4.26 1a9xC1 LEU 2820 HB2 0.04 -0.02 -0.09 -0.04 1.64 1.52 1a9xC1 LEU 2820 HB3 0.05 -0.08 0.02 -0.04 1.64 1.58 1a9xC1 LEU 2820 HG 0.08 0.12 -0.04 -0.04 1.64 1.76 1a9xC1 LEU 2820 HD13 0.07 -0.04 -0.12 -0.04 0.93 0.80 1a9xC1 LEU 2820 HD23 0.10 0.00 -0.12 -0.04 0.89 0.84 1a9xC1 GLN 2821 H 0.09 0.35 -0.40 -0.55 8.47 7.97 1a9xC1 GLN 2821 HA 0.10 0.04 0.33 -0.75 4.36 4.08 1a9xC1 GLN 2821 HB2 0.04 0.02 0.29 -0.04 2.15 2.47 1a9xC1 GLN 2821 HB3 0.05 -0.06 0.14 -0.04 2.02 2.11 1a9xC1 GLN 2821 HG2 0.06 0.09 -0.59 -0.04 2.40 1.92 1a9xC1 GLN 2821 HG3 0.04 -0.10 -0.15 -0.04 2.39 2.14 1a9xC1 GLN 2821 HE21 0.05 -0.11 0.01 -0.04 6.97 6.87 1a9xC1 GLN 2821 HE22 0.07 0.26 0.00 -0.04 7.69 7.97 1a9xC1 VAL 2822 H 0.04 0.42 -0.01 -0.55 8.24 8.14 1a9xC1 VAL 2822 HA 0.03 0.03 0.32 -0.75 4.13 3.75 1a9xC1 VAL 2822 HB -0.01 -0.10 -0.04 -0.04 2.12 1.92 1a9xC1 VAL 2822 HG13 0.01 0.01 -0.28 -0.04 0.97 0.66 1a9xC1 VAL 2822 HG23 0.01 0.02 -0.11 -0.04 0.95 0.82 1a9xC1 ARG 2823 H 0.03 0.14 -0.08 -0.55 8.46 7.99 1a9xC1 ARG 2823 HA 0.04 0.22 0.54 -0.75 4.34 4.38 1a9xC1 ARG 2823 HB2 0.02 -0.13 -0.16 -0.04 1.90 1.59 1a9xC1 ARG 2823 HB3 0.02 0.02 0.00 -0.04 1.80 1.80 1a9xC1 ARG 2823 HG2 0.04 0.21 -0.60 -0.04 1.67 1.28 1a9xC1 ARG 2823 HG3 0.03 0.01 -0.14 -0.04 1.67 1.52 1a9xC1 ARG 2823 HD2 0.04 -0.04 -0.14 -0.04 3.22 3.05 1a9xC1 ARG 2823 HD3 0.06 0.20 0.02 -0.04 3.22 3.46 1a9xC1 GLY 2824 H 0.04 0.43 0.23 -0.55 8.43 8.58 1a9xC1 GLY 2824 HA2 0.07 0.05 0.37 -0.51 4.01 3.98 1a9xC1 GLY 2824 HA3 0.07 0.19 1.04 -0.51 4.01 4.80 1a9xC1 LEU 2825 H 0.16 0.07 0.09 -0.55 8.37 8.14 1a9xC1 LEU 2825 HA 0.04 0.25 0.70 -0.75 4.35 4.59 1a9xC1 LEU 2825 HB2 0.10 -0.08 -0.09 -0.04 1.64 1.53 1a9xC1 LEU 2825 HB3 0.03 0.06 -0.08 -0.04 1.64 1.61 1a9xC1 LEU 2825 HG 0.07 -0.02 -0.11 -0.04 1.64 1.54 1a9xC1 LEU 2825 HD13 -0.04 -0.03 -0.14 -0.04 0.93 0.68 1a9xC1 LEU 2825 HD23 0.01 0.02 -0.09 -0.04 0.89 0.79 1a9xC1 MET 2826 H 0.02 0.49 0.41 -0.55 8.47 8.85 1a9xC1 MET 2826 HA 0.02 0.17 0.82 -0.75 4.52 4.78 1a9xC1 MET 2826 HB2 -0.01 -0.03 -0.10 -0.04 2.15 1.97 1a9xC1 MET 2826 HB3 0.01 0.07 -0.17 -0.04 2.03 1.89 1a9xC1 MET 2826 HG2 -0.00 0.09 -0.23 -0.04 2.63 2.45 1a9xC1 MET 2826 HG3 0.00 -0.10 -0.29 -0.04 2.56 2.12 1a9xC1 MET 2826 HE3 -0.01 0.01 -0.24 -0.04 2.10 1.81 1a9xC1 ASN 2827 H -0.01 0.47 0.28 -0.55 8.53 8.72 1a9xC1 ASN 2827 HA 0.01 0.34 1.12 -0.75 4.76 5.47 1a9xC1 ASN 2827 HB2 0.02 -0.08 0.00 -0.04 2.88 2.78 1a9xC1 ASN 2827 HB3 0.01 0.12 0.10 -0.04 2.79 2.98 1a9xC1 ASN 2827 HD21 0.05 -0.05 -0.12 -0.04 7.03 6.87 1a9xC1 ASN 2827 HD22 0.04 -0.01 -0.13 -0.04 7.74 7.59 1a9xC1 VAL 2828 H -0.00 0.73 0.41 -0.55 8.24 8.83 1a9xC1 VAL 2828 HA -0.16 0.21 1.11 -0.75 4.13 4.54 1a9xC1 VAL 2828 HB -0.12 -0.07 0.04 -0.04 2.12 1.92 1a9xC1 VAL 2828 HG13 -0.59 0.03 -0.05 -0.04 0.97 0.31 1a9xC1 VAL 2828 HG23 -0.02 0.02 -0.17 -0.04 0.95 0.74 1a9xC1 GLN 2829 H -0.26 0.74 0.40 -0.55 8.47 8.81 1a9xC1 GLN 2829 HA -0.07 0.33 1.23 -0.75 4.36 5.09 1a9xC1 GLN 2829 HB2 -0.10 0.03 0.17 -0.04 2.15 2.20 1a9xC1 GLN 2829 HB3 -0.06 0.01 0.02 -0.04 2.02 1.95 1a9xC1 GLN 2829 HG2 0.02 0.03 0.03 -0.04 2.40 2.43 1a9xC1 GLN 2829 HG3 -0.02 -0.04 -0.16 -0.04 2.39 2.13 1a9xC1 GLN 2829 HE21 -0.01 0.01 -0.09 -0.04 6.97 6.84 1a9xC1 GLN 2829 HE22 0.00 -0.03 -0.14 -0.04 7.69 7.49 1a9xC1 PHE 2830 H 0.10 0.56 0.42 -0.55 8.34 8.87 1a9xC1 PHE 2830 HA 0.03 0.25 1.11 -0.75 4.62 5.26 1a9xC1 PHE 2830 HB2 -0.03 -0.09 0.01 -0.04 3.15 3.00 1a9xC1 PHE 2830 HB3 0.00 0.03 0.05 -0.04 3.06 3.10 1a9xC1 PHE 2830 HD2 0.01 0.12 -0.19 -0.04 7.28 7.17 1a9xC1 PHE 2830 HE2 0.01 0.02 -0.16 -0.04 7.38 7.20 1a9xC1 PHE 2830 HZ 0.01 0.06 -0.14 -0.04 7.32 7.21 1a9xC1 ALA 2831 H 0.25 0.62 0.36 -0.55 8.40 9.09 1a9xC1 ALA 2831 HA 0.03 0.29 0.93 -0.75 4.34 4.84 1a9xC1 ALA 2831 HB3 -0.00 0.00 -0.05 -0.04 1.41 1.32 1a9xC1 VAL 2832 H 0.01 0.65 0.34 -0.55 8.24 8.69 1a9xC1 VAL 2832 HA 0.09 0.37 1.12 -0.75 4.13 4.95 1a9xC1 VAL 2832 HB -0.02 -0.08 0.22 -0.04 2.12 2.19 1a9xC1 VAL 2832 HG13 -0.03 -0.02 -0.19 -0.04 0.97 0.69 1a9xC1 VAL 2832 HG23 -0.05 0.01 -0.17 -0.04 0.95 0.71 1a9xC1 LYS 2833 H 0.23 0.64 0.22 -0.55 8.42 8.95 1a9xC1 LYS 2833 HA 0.01 0.18 1.09 -0.75 4.32 4.85 1a9xC1 LYS 2833 HB2 -0.10 -0.04 -0.08 -0.04 1.87 1.61 1a9xC1 LYS 2833 HB3 0.09 0.03 0.02 -0.04 1.79 1.90 1a9xC1 LYS 2833 HG2 -0.02 -0.06 -0.01 -0.04 1.46 1.33 1a9xC1 LYS 2833 HG3 -0.08 0.09 -0.13 -0.04 1.46 1.30 1a9xC1 LYS 2833 HD2 -0.20 -0.09 -0.12 -0.04 1.69 1.24 1a9xC1 LYS 2833 HD3 -0.08 -0.02 -0.08 -0.04 1.68 1.46 1a9xC1 LYS 2833 HE2 -0.02 -0.07 -0.04 -0.04 2.99 2.82 1a9xC1 LYS 2833 HE3 -0.05 0.09 -0.03 -0.04 2.99 2.96 1a9xC1 ASN 2834 H 0.01 0.20 0.15 -0.55 8.53 8.34 1a9xC1 ASN 2834 HA 0.00 0.03 0.34 -0.75 4.76 4.39 1a9xC1 ASN 2834 HB2 0.06 0.21 0.03 -0.04 2.88 3.14 1a9xC1 ASN 2834 HB3 0.02 0.02 0.21 -0.04 2.79 2.99 1a9xC1 ASN 2834 HD21 0.01 0.02 0.02 -0.04 7.03 7.03 1a9xC1 ASN 2834 HD22 0.00 -0.02 0.09 -0.04 7.74 7.77 1a9xC1 ASN 2835 H -0.01 0.05 -0.16 -0.55 8.53 7.87 1a9xC1 ASN 2835 HA -0.03 -0.06 0.24 -0.75 4.76 4.15 1a9xC1 ASN 2835 HB2 -0.02 -0.06 -0.24 -0.04 2.88 2.51 1a9xC1 ASN 2835 HB3 -0.03 0.17 0.18 -0.04 2.79 3.07 1a9xC1 ASN 2835 HD21 -0.04 -0.07 0.03 -0.04 7.03 6.91 1a9xC1 ASN 2835 HD22 -0.03 0.08 0.06 -0.04 7.74 7.80 1a9xC1 GLU 2836 H 0.03 0.17 -0.69 -0.55 8.60 7.56 1a9xC1 GLU 2836 HA -0.10 0.15 0.88 -0.75 4.29 4.47 1a9xC1 GLU 2836 HB2 0.07 0.21 0.08 -0.04 2.09 2.41 1a9xC1 GLU 2836 HB3 -0.29 0.01 -0.04 -0.04 1.99 1.63 1a9xC1 GLU 2836 HG2 -0.06 0.03 -0.19 -0.04 2.34 2.08 1a9xC1 GLU 2836 HG3 0.01 0.16 -0.14 -0.04 2.34 2.33 1a9xC1 VAL 2837 H -0.17 0.21 0.12 -0.55 8.24 7.85 1a9xC1 VAL 2837 HA -0.01 0.14 1.00 -0.75 4.13 4.51 1a9xC1 VAL 2837 HB -0.13 0.03 0.08 -0.04 2.12 2.05 1a9xC1 VAL 2837 HG13 -0.20 0.00 -0.16 -0.04 0.97 0.57 1a9xC1 VAL 2837 HG23 -0.16 -0.01 -0.11 -0.04 0.95 0.63 1a9xC1 TYR 2838 H 0.25 0.76 0.46 -0.55 8.29 9.21 1a9xC1 TYR 2838 HA 0.06 0.27 0.99 -0.75 4.56 5.13 1a9xC1 TYR 2838 HB2 0.02 -0.09 0.06 -0.04 3.06 3.01 1a9xC1 TYR 2838 HB3 0.02 0.08 -0.03 -0.04 2.98 3.02 1a9xC1 TYR 2838 HD2 0.00 0.03 -0.20 -0.04 7.15 6.94 1a9xC1 TYR 2838 HE2 -0.01 0.07 -0.07 -0.04 6.85 6.81 1a9xC1 LEU 2839 H 0.16 0.86 0.40 -0.55 8.37 9.25 1a9xC1 LEU 2839 HA 0.06 0.05 0.88 -0.75 4.35 4.58 1a9xC1 LEU 2839 HB2 0.08 0.01 0.04 -0.04 1.64 1.74 1a9xC1 LEU 2839 HB3 0.08 0.02 0.07 -0.04 1.64 1.76 1a9xC1 LEU 2839 HG 0.21 -0.02 -0.26 -0.04 1.64 1.52 1a9xC1 LEU 2839 HD13 -0.24 -0.00 -0.04 -0.04 0.93 0.60 1a9xC1 LEU 2839 HD23 0.05 -0.00 -0.14 -0.04 0.89 0.75 1a9xC1 ILE 2840 H -0.05 0.65 0.49 -0.55 8.25 8.79 1a9xC1 ILE 2840 HA 0.05 0.11 0.67 -0.75 4.18 4.26 1a9xC1 ILE 2840 HB -0.04 0.01 -0.11 -0.04 1.89 1.71 1a9xC1 ILE 2840 HG12 0.01 0.03 -0.12 -0.04 1.49 1.38 1a9xC1 ILE 2840 HG13 0.04 -0.05 -0.30 -0.04 1.21 0.86 1a9xC1 ILE 2840 HG23 -0.02 -0.02 -0.16 -0.04 0.93 0.69 1a9xC1 ILE 2840 HD13 -0.01 -0.02 -0.16 -0.04 0.88 0.66 1a9xC1 GLU 2841 H -0.10 0.38 0.36 -0.55 8.60 8.70 1a9xC1 GLU 2841 HA -0.23 0.18 0.51 -0.75 4.29 3.99 1a9xC1 GLU 2841 HB2 -0.22 0.11 0.12 -0.04 2.09 2.06 1a9xC1 GLU 2841 HB3 -0.08 0.01 -0.39 -0.04 1.99 1.48 1a9xC1 GLU 2841 HG2 -0.10 -0.16 -0.18 -0.04 2.34 1.85 1a9xC1 GLU 2841 HG3 -0.15 0.06 -0.55 -0.04 2.34 1.67 1a9xC1 VAL 2842 H -0.53 0.35 0.18 -0.55 8.24 7.69 1a9xC1 VAL 2842 HA -0.14 0.13 1.04 -0.75 4.13 4.40 1a9xC1 VAL 2842 HB -0.28 0.07 0.07 -0.04 2.12 1.94 1a9xC1 VAL 2842 HG13 -0.03 -0.00 -0.14 -0.04 0.97 0.75 1a9xC1 VAL 2842 HG23 0.10 -0.01 -0.19 -0.04 0.95 0.81 1a9xC1 ASN 2843 H -0.07 0.88 0.31 -0.55 8.53 9.10 1a9xC1 ASN 2843 HA -0.07 0.31 1.03 -0.75 4.76 5.28 1a9xC1 ASN 2843 HB2 -0.00 -0.10 0.15 -0.04 2.88 2.89 1a9xC1 ASN 2843 HB3 -0.00 0.02 -0.03 -0.04 2.79 2.74 1a9xC1 ASN 2843 HD21 -0.03 -0.02 -0.20 -0.04 7.03 6.74 1a9xC1 ASN 2843 HD22 -0.01 -0.08 -0.15 -0.04 7.74 7.46 1a9xC1 PRO 2844 HA 0.01 0.06 0.51 -0.51 4.44 4.51 1a9xC1 PRO 2844 HB2 0.01 0.03 0.14 -0.04 2.28 2.41 1a9xC1 PRO 2844 HB3 0.00 0.03 -0.01 -0.04 2.02 2.00 1a9xC1 PRO 2844 HG2 -0.02 0.01 0.07 -0.04 2.03 2.04 1a9xC1 PRO 2844 HG3 -0.03 0.07 -0.03 -0.04 2.03 2.00 1a9xC1 PRO 2844 HD2 -0.05 0.13 0.09 -0.04 3.68 3.81 1a9xC1 PRO 2844 HD3 -0.08 0.20 -0.48 -0.04 3.65 3.25 1a9xC1 ARG 2845 H 0.03 0.70 0.05 -0.55 8.46 8.69 1a9xC1 ARG 2845 HA 0.09 0.06 0.47 -0.75 4.34 4.21 1a9xC1 ARG 2845 HB2 0.09 0.10 0.20 -0.04 1.90 2.25 1a9xC1 ARG 2845 HB3 0.04 0.16 -0.19 -0.04 1.80 1.77 1a9xC1 ARG 2845 HG2 0.02 -0.16 -0.50 -0.04 1.67 0.99 1a9xC1 ARG 2845 HG3 0.07 0.08 -0.41 -0.04 1.67 1.37 1a9xC1 ARG 2845 HD2 0.01 0.02 -0.10 -0.04 3.22 3.10 1a9xC1 ARG 2845 HD3 -0.01 0.03 -0.16 -0.04 3.22 3.03 1a9xC1 ALA 2846 H 0.14 0.40 0.17 -0.55 8.40 8.56 1a9xC1 ALA 2846 HA -0.01 -0.02 0.52 -0.75 4.34 4.08 1a9xC1 ALA 2846 HB3 -0.17 0.01 0.10 -0.04 1.41 1.30 1a9xC1 ALA 2847 H -0.01 0.06 0.15 -0.55 8.40 8.06 1a9xC1 ALA 2847 HA 0.16 0.26 0.71 -0.75 4.34 4.72 1a9xC1 ALA 2847 HB3 0.03 0.01 0.04 -0.04 1.41 1.44 1a9xC1 ARG 2848 H 0.01 0.23 0.08 -0.55 8.46 8.23 1a9xC1 ARG 2848 HA -0.60 0.10 0.38 -0.75 4.34 3.48 1a9xC1 ARG 2848 HB2 -0.26 -0.06 0.09 -0.04 1.90 1.62 1a9xC1 ARG 2848 HB3 -0.19 0.08 0.07 -0.04 1.80 1.72 1a9xC1 ARG 2848 HG2 0.02 -0.03 0.00 -0.04 1.67 1.63 1a9xC1 ARG 2848 HG3 -0.06 0.05 -0.25 -0.04 1.67 1.36 1a9xC1 ARG 2848 HD2 0.03 0.02 -0.06 -0.04 3.22 3.17 1a9xC1 ARG 2848 HD3 -0.02 -0.01 -0.05 -0.04 3.22 3.09 1a9xC1 THR 2849 H -0.05 0.02 -0.56 -0.55 8.28 7.14 1a9xC1 THR 2849 HA -0.01 0.16 0.54 -0.75 4.39 4.33 1a9xC1 THR 2849 HB 0.10 0.04 -0.07 -0.04 4.32 4.36 1a9xC1 THR 2849 HG23 0.00 0.01 -0.15 -0.04 1.22 1.04 1a9xC1 VAL 2850 H -0.10 0.41 -0.30 -0.55 8.24 7.71 1a9xC1 VAL 2850 HA -0.02 0.05 0.34 -0.75 4.13 3.75 1a9xC1 VAL 2850 HB -0.13 0.17 0.08 -0.04 2.12 2.20 1a9xC1 VAL 2850 HG13 -0.05 0.00 -0.16 -0.04 0.97 0.72 1a9xC1 VAL 2850 HG23 -0.05 -0.03 0.03 -0.04 0.95 0.86 1a9xC1 PRO 2851 HA -0.37 0.09 0.33 -0.51 4.44 3.98 1a9xC1 PRO 2851 HB2 -0.57 0.02 -0.17 -0.04 2.28 1.52 1a9xC1 PRO 2851 HB3 -1.93 0.05 -0.02 -0.04 2.02 0.08 1a9xC1 PRO 2851 HG2 -0.35 -0.03 0.04 -0.04 2.03 1.65 1a9xC1 PRO 2851 HG3 -0.34 0.12 0.06 -0.04 2.03 1.82 1a9xC1 PRO 2851 HD2 -0.18 0.23 -0.32 -0.04 3.68 3.36 1a9xC1 PRO 2851 HD3 -0.22 0.11 -0.04 -0.04 3.65 3.46 1a9xC1 PHE 2852 H 0.01 0.12 -0.37 -0.55 8.34 7.55 1a9xC1 PHE 2852 HA -0.09 0.06 0.26 -0.75 4.62 4.09 1a9xC1 PHE 2852 HB2 -0.08 -0.03 -0.03 -0.04 3.15 2.96 1a9xC1 PHE 2852 HB3 -0.06 0.04 0.05 -0.04 3.06 3.04 1a9xC1 PHE 2852 HD2 -0.01 -0.01 -0.15 -0.04 7.28 7.06 1a9xC1 PHE 2852 HE2 0.05 0.02 -0.33 -0.04 7.38 7.08 1a9xC1 PHE 2852 HZ 0.09 0.18 -0.38 -0.04 7.32 7.16 1a9xC1 VAL 2853 H 0.09 0.58 -0.10 -0.55 8.24 8.27 1a9xC1 VAL 2853 HA -0.25 0.04 0.32 -0.75 4.13 3.49 1a9xC1 VAL 2853 HB 0.01 -0.00 0.04 -0.04 2.12 2.12 1a9xC1 VAL 2853 HG13 -0.01 -0.03 -0.18 -0.04 0.97 0.72 1a9xC1 VAL 2853 HG23 0.14 0.03 -0.08 -0.04 0.95 1.01 1a9xC1 SER 2854 H -0.05 0.49 -0.29 -0.55 8.46 8.07 1a9xC1 SER 2854 HA -0.01 0.11 0.41 -0.75 4.49 4.24 1a9xC1 SER 2854 HB2 0.08 0.06 -0.01 -0.04 3.95 4.05 1a9xC1 SER 2854 HB3 0.10 -0.02 -0.08 -0.04 3.93 3.89 1a9xC1 LYS 2855 H -0.06 0.41 -0.21 -0.55 8.42 8.01 1a9xC1 LYS 2855 HA 0.17 0.06 0.50 -0.75 4.32 4.29 1a9xC1 LYS 2855 HB2 -0.07 0.20 0.19 -0.04 1.87 2.14 1a9xC1 LYS 2855 HB3 -0.06 -0.02 -0.00 -0.04 1.79 1.66 1a9xC1 LYS 2855 HG2 -0.02 -0.07 -0.00 -0.04 1.46 1.33 1a9xC1 LYS 2855 HG3 0.04 0.02 0.04 -0.04 1.46 1.51 1a9xC1 LYS 2855 HD2 0.07 -0.09 -0.05 -0.04 1.69 1.58 1a9xC1 LYS 2855 HD3 -0.06 0.21 0.03 -0.04 1.68 1.81 1a9xC1 LYS 2855 HE2 0.06 0.12 -0.12 -0.04 2.99 3.02 1a9xC1 LYS 2855 HE3 0.19 -0.09 -0.13 -0.04 2.99 2.91 1a9xC1 ALA 2856 H -0.21 0.47 -0.09 -0.55 8.40 8.02 1a9xC1 ALA 2856 HA 0.10 0.02 0.35 -0.75 4.34 4.05 1a9xC1 ALA 2856 HB3 -0.26 -0.02 0.04 -0.04 1.41 1.13 1a9xC1 THR 2857 H -0.05 0.51 -0.08 -0.55 8.28 8.11 1a9xC1 THR 2857 HA -0.04 0.18 0.71 -0.75 4.39 4.49 1a9xC1 THR 2857 HB -0.06 -0.04 0.11 -0.04 4.32 4.29 1a9xC1 THR 2857 HG23 -0.06 0.05 0.10 -0.04 1.22 1.26 1a9xC1 GLY 2858 H -0.07 0.40 -0.32 -0.55 8.43 7.90 1a9xC1 GLY 2858 HA2 -1.23 -0.01 0.32 -0.51 4.01 2.58 1a9xC1 GLY 2858 HA3 -0.76 0.12 0.45 -0.51 4.01 3.31 1a9xC1 VAL 2859 H -0.09 0.06 -0.40 -0.55 8.24 7.26 1a9xC1 VAL 2859 HA -0.05 0.24 0.73 -0.75 4.13 4.30 1a9xC1 VAL 2859 HB -0.02 -0.10 0.05 -0.04 2.12 2.00 1a9xC1 VAL 2859 HG13 -0.00 -0.04 -0.30 -0.04 0.97 0.60 1a9xC1 VAL 2859 HG23 -0.05 0.07 -0.10 -0.04 0.95 0.82 1a9xC1 PRO 2860 HA 0.15 0.07 0.41 -0.51 4.44 4.56 1a9xC1 PRO 2860 HB2 0.07 -0.18 0.17 -0.04 2.28 2.31 1a9xC1 PRO 2860 HB3 0.09 0.09 0.05 -0.04 2.02 2.21 1a9xC1 PRO 2860 HG2 0.01 0.01 0.07 -0.04 2.03 2.07 1a9xC1 PRO 2860 HG3 0.00 0.13 0.06 -0.04 2.03 2.18 1a9xC1 PRO 2860 HD2 -0.00 0.10 0.12 -0.04 3.68 3.86 1a9xC1 PRO 2860 HD3 -0.02 0.48 0.25 -0.04 3.65 4.32 1a9xC1 LEU 2861 H 0.06 0.51 0.17 -0.55 8.37 8.57 1a9xC1 LEU 2861 HA 0.05 0.08 0.17 -0.75 4.35 3.89 1a9xC1 LEU 2861 HB2 0.02 -0.06 0.01 -0.04 1.64 1.57 1a9xC1 LEU 2861 HB3 0.03 -0.04 -0.06 -0.04 1.64 1.53 1a9xC1 LEU 2861 HG 0.02 0.29 0.02 -0.04 1.64 1.93 1a9xC1 LEU 2861 HD13 0.01 0.00 -0.09 -0.04 0.93 0.80 1a9xC1 LEU 2861 HD23 0.01 0.01 -0.13 -0.04 0.89 0.74 1a9xC1 ALA 2862 H 0.10 0.14 -0.24 -0.55 8.40 7.85 1a9xC1 ALA 2862 HA 0.07 0.03 0.38 -0.75 4.34 4.06 1a9xC1 ALA 2862 HB3 0.02 0.03 -0.00 -0.04 1.41 1.42 1a9xC1 LYS 2863 H 0.17 0.20 -0.28 -0.55 8.42 7.95 1a9xC1 LYS 2863 HA 0.09 0.10 0.32 -0.75 4.32 4.07 1a9xC1 LYS 2863 HB2 0.04 0.15 0.12 -0.04 1.87 2.13 1a9xC1 LYS 2863 HB3 0.01 0.06 -0.02 -0.04 1.79 1.80 1a9xC1 LYS 2863 HG2 -0.08 0.09 -0.02 -0.04 1.46 1.41 1a9xC1 LYS 2863 HG3 -0.00 -0.13 0.00 -0.04 1.46 1.29 1a9xC1 LYS 2863 HD2 -0.14 0.03 0.00 -0.04 1.69 1.55 1a9xC1 LYS 2863 HD3 -0.12 0.06 -0.02 -0.04 1.68 1.56 1a9xC1 LYS 2863 HE2 -0.47 0.02 0.00 -0.04 2.99 2.50 1a9xC1 LYS 2863 HE3 -1.30 -0.10 -0.02 -0.04 2.99 1.53 1a9xC1 VAL 2864 H 0.07 0.51 -0.12 -0.55 8.24 8.15 1a9xC1 VAL 2864 HA 0.05 0.12 0.31 -0.75 4.13 3.85 1a9xC1 VAL 2864 HB 0.05 -0.03 -0.03 -0.04 2.12 2.07 1a9xC1 VAL 2864 HG13 0.03 0.00 -0.19 -0.04 0.97 0.77 1a9xC1 VAL 2864 HG23 0.03 0.05 -0.11 -0.04 0.95 0.88 1a9xC1 ALA 2865 H 0.11 0.86 -0.07 -0.55 8.40 8.75 1a9xC1 ALA 2865 HA 0.08 0.02 0.29 -0.75 4.34 3.98 1a9xC1 ALA 2865 HB3 0.17 -0.05 0.03 -0.04 1.41 1.52 1a9xC1 ALA 2866 H 0.16 0.44 -0.55 -0.55 8.40 7.89 1a9xC1 ALA 2866 HA -0.07 -0.05 0.44 -0.75 4.34 3.91 1a9xC1 ALA 2866 HB3 0.05 0.04 0.13 -0.04 1.41 1.60 1a9xC1 ARG 2867 H 0.05 0.63 -0.12 -0.55 8.46 8.47 1a9xC1 ARG 2867 HA 0.02 0.03 0.36 -0.75 4.34 4.00 1a9xC1 ARG 2867 HB2 0.04 0.11 0.08 -0.04 1.90 2.09 1a9xC1 ARG 2867 HB3 0.05 -0.02 -0.02 -0.04 1.80 1.76 1a9xC1 ARG 2867 HG2 0.07 -0.01 -0.08 -0.04 1.67 1.61 1a9xC1 ARG 2867 HG3 0.04 0.05 0.00 -0.04 1.67 1.72 1a9xC1 ARG 2867 HD2 0.03 -0.05 -0.18 -0.04 3.22 2.98 1a9xC1 ARG 2867 HD3 0.04 0.02 -0.09 -0.04 3.22 3.14 1a9xC1 VAL 2868 H 0.04 0.36 -0.30 -0.55 8.24 7.79 1a9xC1 VAL 2868 HA 0.03 0.29 0.31 -0.75 4.13 4.00 1a9xC1 VAL 2868 HB 0.04 0.05 0.10 -0.04 2.12 2.27 1a9xC1 VAL 2868 HG13 0.03 -0.03 -0.19 -0.04 0.97 0.74 1a9xC1 VAL 2868 HG23 0.04 0.02 -0.11 -0.04 0.95 0.86 1a9xC1 MET 2869 H -0.01 0.48 -0.27 -0.55 8.47 8.12 1a9xC1 MET 2869 HA -0.02 0.02 0.36 -0.75 4.52 4.13 1a9xC1 MET 2869 HB2 -0.11 0.05 0.03 -0.04 2.15 2.08 1a9xC1 MET 2869 HB3 -0.06 -0.10 -0.03 -0.04 2.03 1.80 1a9xC1 MET 2869 HG2 -0.01 0.08 -0.03 -0.04 2.63 2.64 1a9xC1 MET 2869 HG3 -0.01 0.34 0.13 -0.04 2.56 2.97 1a9xC1 MET 2869 HE3 -0.42 -0.03 -0.07 -0.04 2.10 1.54 1a9xC1 ALA 2870 H -0.07 0.45 -0.19 -0.55 8.40 8.04 1a9xC1 ALA 2870 HA -0.14 0.03 0.41 -0.75 4.34 3.89 1a9xC1 ALA 2870 HB3 -0.24 -0.00 0.05 -0.04 1.41 1.18 1a9xC1 GLY 2871 H -0.00 0.30 -0.92 -0.55 8.43 7.26 1a9xC1 GLY 2871 HA2 0.02 -0.01 0.22 -0.51 4.01 3.73 1a9xC1 GLY 2871 HA3 0.03 0.11 0.65 -0.51 4.01 4.30 1a9xC1 LYS 2872 H 0.04 0.76 0.03 -0.55 8.42 8.69 1a9xC1 LYS 2872 HA 0.04 0.13 0.92 -0.75 4.32 4.65 1a9xC1 LYS 2872 HB2 0.06 0.05 -0.07 -0.04 1.87 1.87 1a9xC1 LYS 2872 HB3 0.04 -0.06 -0.08 -0.04 1.79 1.65 1a9xC1 LYS 2872 HG2 0.03 0.01 -0.37 -0.04 1.46 1.09 1a9xC1 LYS 2872 HG3 0.03 -0.04 -0.05 -0.04 1.46 1.36 1a9xC1 LYS 2872 HD2 0.04 0.03 -0.10 -0.04 1.69 1.62 1a9xC1 LYS 2872 HD3 0.03 -0.03 -0.17 -0.04 1.68 1.47 1a9xC1 LYS 2872 HE2 0.02 -0.04 -0.17 -0.04 2.99 2.76 1a9xC1 LYS 2872 HE3 0.02 -0.01 -0.07 -0.04 2.99 2.89 1a9xC1 SER 2873 H 0.03 0.16 0.06 -0.55 8.46 8.16 1a9xC1 SER 2873 HA 0.03 0.13 0.33 -0.75 4.49 4.23 1a9xC1 SER 2873 HB2 0.03 -0.11 0.11 -0.04 3.95 3.94 1a9xC1 SER 2873 HB3 0.03 0.20 0.11 -0.04 3.93 4.22 1a9xC1 LEU 2874 H 0.03 0.12 0.10 -0.55 8.37 8.08 1a9xC1 LEU 2874 HA 0.03 0.17 0.31 -0.75 4.35 4.10 1a9xC1 LEU 2874 HB2 0.03 -0.13 0.05 -0.04 1.64 1.56 1a9xC1 LEU 2874 HB3 0.02 0.31 -0.03 -0.04 1.64 1.89 1a9xC1 LEU 2874 HG 0.03 -0.04 -0.05 -0.04 1.64 1.54 1a9xC1 LEU 2874 HD13 0.02 -0.02 -0.17 -0.04 0.93 0.72 1a9xC1 LEU 2874 HD23 0.02 0.07 -0.06 -0.04 0.89 0.88 1a9xC1 ALA 2875 H 0.03 0.05 -0.22 -0.55 8.40 7.71 1a9xC1 ALA 2875 HA 0.02 0.07 0.24 -0.75 4.34 3.92 1a9xC1 ALA 2875 HB3 0.02 0.01 -0.02 -0.04 1.41 1.38 1a9xC1 GLU 2876 H 0.02 -0.02 -0.32 -0.55 8.60 7.73 1a9xC1 GLU 2876 HA 0.01 0.06 0.37 -0.75 4.29 3.98 1a9xC1 GLU 2876 HB2 0.02 0.00 -0.02 -0.04 2.09 2.05 1a9xC1 GLU 2876 HB3 0.02 0.00 -0.03 -0.04 1.99 1.94 1a9xC1 GLU 2876 HG2 0.01 0.00 0.02 -0.04 2.34 2.33 1a9xC1 GLU 2876 HG3 0.02 -0.11 -0.00 -0.04 2.34 2.20 1a9xC1 GLN 2877 H 0.02 0.29 -0.63 -0.55 8.47 7.61 1a9xC1 GLN 2877 HA 0.02 0.18 0.63 -0.75 4.36 4.43 1a9xC1 GLN 2877 HB2 0.02 -0.05 -0.02 -0.04 2.15 2.06 1a9xC1 GLN 2877 HB3 0.02 -0.06 -0.03 -0.04 2.02 1.91 1a9xC1 GLN 2877 HG2 0.03 -0.01 -0.21 -0.04 2.40 2.16 1a9xC1 GLN 2877 HG3 0.03 0.33 -0.35 -0.04 2.39 2.36 1a9xC1 GLN 2877 HE21 0.04 0.02 -0.10 -0.04 6.97 6.88 1a9xC1 GLN 2877 HE22 0.03 0.38 -0.34 -0.04 7.69 7.72 1a9xC1 GLY 2878 H 0.01 0.29 -0.36 -0.55 8.43 7.82 1a9xC1 GLY 2878 HA2 0.01 -0.02 0.25 -0.51 4.01 3.74 1a9xC1 GLY 2878 HA3 0.00 0.09 0.39 -0.51 4.01 3.99 1a9xC1 VAL 2879 H 0.01 0.46 -0.23 -0.55 8.24 7.93 1a9xC1 VAL 2879 HA 0.00 0.19 0.77 -0.75 4.13 4.33 1a9xC1 VAL 2879 HB 0.01 -0.06 0.02 -0.04 2.12 2.04 1a9xC1 VAL 2879 HG13 0.00 -0.02 -0.13 -0.04 0.97 0.78 1a9xC1 VAL 2879 HG23 0.00 0.07 -0.27 -0.04 0.95 0.71 1a9xC1 THR 2880 H 0.00 0.21 -0.13 -0.55 8.28 7.82 1a9xC1 THR 2880 HA 0.01 0.12 0.77 -0.75 4.39 4.53 1a9xC1 THR 2880 HB 0.01 0.00 -0.07 -0.04 4.32 4.23 1a9xC1 THR 2880 HG23 0.02 -0.01 -0.36 -0.04 1.22 0.82 1a9xC1 LYS 2881 H -0.00 0.16 0.00 -0.55 8.42 8.02 1a9xC1 LYS 2881 HA -0.00 0.16 1.18 -0.75 4.32 4.90 1a9xC1 LYS 2881 HB2 -0.01 0.11 -0.05 -0.04 1.87 1.88 1a9xC1 LYS 2881 HB3 -0.01 0.01 0.04 -0.04 1.79 1.79 1a9xC1 LYS 2881 HG2 -0.00 -0.21 -0.19 -0.04 1.46 1.02 1a9xC1 LYS 2881 HG3 -0.00 0.07 -0.06 -0.04 1.46 1.43 1a9xC1 LYS 2881 HD2 -0.00 0.02 -0.06 -0.04 1.69 1.61 1a9xC1 LYS 2881 HD3 0.00 0.07 -0.29 -0.04 1.68 1.42 1a9xC1 LYS 2881 HE2 -0.00 0.03 -0.07 -0.04 2.99 2.92 1a9xC1 LYS 2881 HE3 0.00 -0.00 -0.06 -0.04 2.99 2.89 1a9xC1 GLU 2882 H -0.01 0.07 0.13 -0.55 8.60 8.25 1a9xC1 GLU 2882 HA -0.01 0.16 0.36 -0.75 4.29 4.05 1a9xC1 GLU 2882 HB2 -0.01 -0.13 0.16 -0.04 2.09 2.07 1a9xC1 GLU 2882 HB3 -0.01 -0.04 0.09 -0.04 1.99 1.98 1a9xC1 GLU 2882 HG2 -0.02 0.11 -0.44 -0.04 2.34 1.94 1a9xC1 GLU 2882 HG3 -0.01 0.19 -0.05 -0.04 2.34 2.42 1a9xC1 VAL 2883 H -0.03 0.20 0.21 -0.55 8.24 8.07 1a9xC1 VAL 2883 HA -0.04 0.22 1.03 -0.75 4.13 4.58 1a9xC1 VAL 2883 HB -0.05 -0.07 0.18 -0.04 2.12 2.14 1a9xC1 VAL 2883 HG13 -0.08 0.07 -0.16 -0.04 0.97 0.76 1a9xC1 VAL 2883 HG23 -0.04 0.04 -0.03 -0.04 0.95 0.87 1a9xC1 ILE 2884 H -0.07 0.27 0.12 -0.55 8.25 8.03 1a9xC1 ILE 2884 HA -0.09 0.16 0.98 -0.75 4.18 4.47 1a9xC1 ILE 2884 HB -0.07 -0.04 0.07 -0.04 1.89 1.81 1a9xC1 ILE 2884 HG12 -0.05 0.02 -0.63 -0.04 1.49 0.79 1a9xC1 ILE 2884 HG13 -0.04 -0.08 -0.10 -0.04 1.21 0.94 1a9xC1 ILE 2884 HG23 -0.11 0.03 0.01 -0.04 0.93 0.82 1a9xC1 ILE 2884 HD13 -0.04 -0.02 0.08 -0.04 0.88 0.85 1a9xC1 PRO 2885 HA -0.31 0.17 0.59 -0.51 4.44 4.37 1a9xC1 PRO 2885 HB2 -0.94 0.04 0.04 -0.04 2.28 1.38 1a9xC1 PRO 2885 HB3 -0.69 0.18 0.10 -0.04 2.02 1.57 1a9xC1 PRO 2885 HG2 -0.21 0.02 -0.03 -0.04 2.03 1.77 1a9xC1 PRO 2885 HG3 -0.17 0.05 -0.15 -0.04 2.03 1.72 1a9xC1 PRO 2885 HD2 -0.15 -0.01 0.22 -0.04 3.68 3.70 1a9xC1 PRO 2885 HD3 -0.12 0.26 -0.01 -0.04 3.65 3.74 1a9xC1 PRO 2886 HA -0.14 0.08 0.57 -0.51 4.44 4.44 1a9xC1 PRO 2886 HB2 0.01 -0.04 0.04 -0.04 2.28 2.26 1a9xC1 PRO 2886 HB3 -0.05 0.02 0.16 -0.04 2.02 2.11 1a9xC1 PRO 2886 HG2 0.12 -0.01 -0.02 -0.04 2.03 2.07 1a9xC1 PRO 2886 HG3 -0.00 0.30 -0.05 -0.04 2.03 2.24 1a9xC1 PRO 2886 HD2 -0.90 0.11 0.19 -0.04 3.68 3.04 1a9xC1 PRO 2886 HD3 -0.23 0.15 0.23 -0.04 3.65 3.76 1a9xC1 TYR 2887 H -0.99 0.12 -0.22 -0.55 8.29 6.65 1a9xC1 TYR 2887 HA -0.00 0.20 0.90 -0.75 4.56 4.91 1a9xC1 TYR 2887 HB2 0.05 0.02 0.04 -0.04 3.06 3.13 1a9xC1 TYR 2887 HB3 0.02 -0.02 -0.12 -0.04 2.98 2.83 1a9xC1 TYR 2887 HD2 0.01 -0.00 -0.35 -0.04 7.15 6.77 1a9xC1 TYR 2887 HE2 0.00 0.11 -0.01 -0.04 6.85 6.91 1a9xC1 TYR 2888 H 0.35 0.56 0.22 -0.55 8.29 8.88 1a9xC1 TYR 2888 HA 0.15 0.28 0.86 -0.75 4.56 5.10 1a9xC1 TYR 2888 HB2 0.13 0.03 -0.17 -0.04 3.06 3.01 1a9xC1 TYR 2888 HB3 0.15 -0.08 -0.23 -0.04 2.98 2.77 1a9xC1 TYR 2888 HD2 0.19 0.06 -0.22 -0.04 7.15 7.13 1a9xC1 TYR 2888 HE2 0.17 0.15 -0.09 -0.04 6.85 7.04 1a9xC1 SER 2889 H 0.30 0.95 0.43 -0.55 8.46 9.59 1a9xC1 SER 2889 HA 0.20 0.31 1.19 -0.75 4.49 5.44 1a9xC1 SER 2889 HB2 0.04 -0.04 0.16 -0.04 3.95 4.07 1a9xC1 SER 2889 HB3 0.06 -0.06 0.04 -0.04 3.93 3.94 1a9xC1 VAL 2890 H 0.18 0.77 0.39 -0.55 8.24 9.03 1a9xC1 VAL 2890 HA 0.25 0.32 1.42 -0.75 4.13 5.37 1a9xC1 VAL 2890 HB -0.03 -0.05 -0.13 -0.04 2.12 1.86 1a9xC1 VAL 2890 HG13 0.02 0.00 -0.20 -0.04 0.97 0.75 1a9xC1 VAL 2890 HG23 -0.00 -0.02 -0.21 -0.04 0.95 0.68 1a9xC1 LYS 2891 H -0.13 0.79 0.40 -0.55 8.42 8.93 1a9xC1 LYS 2891 HA -0.17 0.38 1.23 -0.75 4.32 5.01 1a9xC1 LYS 2891 HB2 -1.63 -0.04 -0.03 -0.04 1.87 0.13 1a9xC1 LYS 2891 HB3 -0.57 -0.09 0.10 -0.04 1.79 1.19 1a9xC1 LYS 2891 HG2 -0.24 0.15 -0.04 -0.04 1.46 1.29 1a9xC1 LYS 2891 HG3 -0.35 -0.03 -0.01 -0.04 1.46 1.03 1a9xC1 LYS 2891 HD2 -0.23 -0.07 -0.14 -0.04 1.69 1.21 1a9xC1 LYS 2891 HD3 -0.46 -0.08 -0.13 -0.04 1.68 0.97 1a9xC1 LYS 2891 HE2 -0.23 -0.06 -0.25 -0.04 2.99 2.41 1a9xC1 LYS 2891 HE3 -0.16 -0.01 -0.34 -0.04 2.99 2.44 1a9xC1 GLU 2892 H -0.14 0.60 0.33 -0.55 8.60 8.84 1a9xC1 GLU 2892 HA -0.11 0.07 0.86 -0.75 4.29 4.36 1a9xC1 GLU 2892 HB2 -0.27 -0.05 -0.14 -0.04 2.09 1.59 1a9xC1 GLU 2892 HB3 -0.17 0.08 -0.09 -0.04 1.99 1.78 1a9xC1 GLU 2892 HG2 -0.16 0.03 -0.08 -0.04 2.34 2.09 1a9xC1 GLU 2892 HG3 -0.09 0.30 -0.03 -0.04 2.34 2.48 1a9xC1 VAL 2893 H -0.07 0.11 0.07 -0.55 8.24 7.81 1a9xC1 VAL 2893 HA -0.07 0.20 0.97 -0.75 4.13 4.48 1a9xC1 VAL 2893 HB -0.05 -0.01 0.14 -0.04 2.12 2.17 1a9xC1 VAL 2893 HG13 -0.06 0.04 -0.16 -0.04 0.97 0.75 1a9xC1 VAL 2893 HG23 -0.02 -0.05 -0.14 -0.04 0.95 0.70 1a9xC1 VAL 2894 H -0.05 0.38 0.22 -0.55 8.24 8.25 1a9xC1 VAL 2894 HA -0.03 0.21 0.78 -0.75 4.13 4.33 1a9xC1 VAL 2894 HB -0.03 0.11 0.02 -0.04 2.12 2.17 1a9xC1 VAL 2894 HG13 -0.03 0.05 -0.19 -0.04 0.97 0.75 1a9xC1 VAL 2894 HG23 -0.03 -0.05 -0.16 -0.04 0.95 0.67 1a9xC1 LEU 2895 H -0.04 0.27 0.17 -0.55 8.37 8.23 1a9xC1 LEU 2895 HA -0.17 0.13 0.85 -0.75 4.35 4.40 1a9xC1 LEU 2895 HB2 -0.01 0.06 0.08 -0.04 1.64 1.73 1a9xC1 LEU 2895 HB3 -0.77 0.01 0.02 -0.04 1.64 0.85 1a9xC1 LEU 2895 HG -0.05 -0.09 -0.42 -0.04 1.64 1.03 1a9xC1 LEU 2895 HD13 0.17 0.03 -0.07 -0.04 0.93 1.02 1a9xC1 LEU 2895 HD23 -0.12 0.02 -0.15 -0.04 0.89 0.59 1a9xC1 PRO 2896 HA -0.14 0.18 0.66 -0.51 4.44 4.62 1a9xC1 PRO 2896 HB2 -0.16 0.04 0.09 -0.04 2.28 2.21 1a9xC1 PRO 2896 HB3 -0.09 -0.04 0.08 -0.04 2.02 1.93 1a9xC1 PRO 2896 HG2 -0.02 0.04 0.00 -0.04 2.03 2.01 1a9xC1 PRO 2896 HG3 0.09 0.08 0.07 -0.04 2.03 2.23 1a9xC1 PRO 2896 HD2 -0.37 0.08 0.13 -0.04 3.68 3.49 1a9xC1 PRO 2896 HD3 -0.11 0.04 0.35 -0.04 3.65 3.88 1a9xC1 PHE 2897 H -0.34 0.09 -0.34 -0.55 8.34 7.19 1a9xC1 PHE 2897 HA 0.09 0.08 0.30 -0.75 4.62 4.34 1a9xC1 PHE 2897 HB2 0.07 0.02 -0.05 -0.04 3.15 3.15 1a9xC1 PHE 2897 HB3 0.09 0.13 -0.07 -0.04 3.06 3.17 1a9xC1 PHE 2897 HD2 0.16 0.06 -0.09 -0.04 7.28 7.36 1a9xC1 PHE 2897 HE2 0.16 0.02 -0.10 -0.04 7.38 7.42 1a9xC1 PHE 2897 HZ 0.11 0.08 -0.10 -0.04 7.32 7.37 1a9xC1 ASN 2898 H 0.04 0.09 -0.41 -0.55 8.53 7.71 1a9xC1 ASN 2898 HA 0.01 0.13 0.41 -0.75 4.76 4.56 1a9xC1 ASN 2898 HB2 -0.04 0.06 0.05 -0.04 2.88 2.91 1a9xC1 ASN 2898 HB3 0.02 0.03 0.04 -0.04 2.79 2.83 1a9xC1 ASN 2898 HD21 -0.06 -0.03 -0.04 -0.04 7.03 6.85 1a9xC1 ASN 2898 HD22 -0.05 0.06 -0.04 -0.04 7.74 7.67 1a9xC1 LYS 2899 H -0.29 0.49 -0.27 -0.55 8.42 7.79 1a9xC1 LYS 2899 HA -0.33 0.08 0.54 -0.75 4.32 3.86 1a9xC1 LYS 2899 HB2 -1.39 0.07 0.07 -0.04 1.87 0.59 1a9xC1 LYS 2899 HB3 -0.95 0.03 0.10 -0.04 1.79 0.93 1a9xC1 LYS 2899 HG2 -0.30 -0.07 0.05 -0.04 1.46 1.10 1a9xC1 LYS 2899 HG3 -0.36 -0.11 0.05 -0.04 1.46 0.99 1a9xC1 LYS 2899 HD2 -0.26 0.13 0.01 -0.04 1.69 1.53 1a9xC1 LYS 2899 HD3 -0.22 0.02 -0.11 -0.04 1.68 1.33 1a9xC1 LYS 2899 HE2 -0.13 -0.03 -0.03 -0.04 2.99 2.76 1a9xC1 LYS 2899 HE3 -0.15 0.03 0.00 -0.04 2.99 2.83 1a9xC1 PHE 2900 H -0.15 0.30 -0.33 -0.55 8.34 7.60 1a9xC1 PHE 2900 HA 0.01 0.13 0.77 -0.75 4.62 4.77 1a9xC1 PHE 2900 HB2 -0.04 -0.03 0.16 -0.04 3.15 3.20 1a9xC1 PHE 2900 HB3 0.03 -0.09 0.07 -0.04 3.06 3.03 1a9xC1 PHE 2900 HD2 -0.31 0.04 -0.09 -0.04 7.28 6.87 1a9xC1 PHE 2900 HE2 -0.41 -0.03 -0.04 -0.04 7.38 6.86 1a9xC1 PHE 2900 HZ -0.26 0.04 -0.02 -0.04 7.32 7.04 1a9xC1 PRO 2901 HA 0.06 0.20 0.44 -0.51 4.44 4.62 1a9xC1 PRO 2901 HB2 0.01 -0.04 0.02 -0.04 2.28 2.23 1a9xC1 PRO 2901 HB3 -0.01 0.07 0.09 -0.04 2.02 2.13 1a9xC1 PRO 2901 HG2 -0.00 -0.01 0.03 -0.04 2.03 2.01 1a9xC1 PRO 2901 HG3 -0.02 0.19 0.00 -0.04 2.03 2.16 1a9xC1 PRO 2901 HD2 0.06 0.06 0.09 -0.04 3.68 3.85 1a9xC1 PRO 2901 HD3 -0.03 0.22 -0.65 -0.04 3.65 3.14 1a9xC1 GLY 2902 H 0.10 0.06 -0.26 -0.55 8.43 7.78 1a9xC1 GLY 2902 HA2 0.04 0.03 0.28 -0.51 4.01 3.86 1a9xC1 GLY 2902 HA3 0.06 0.04 0.22 -0.51 4.01 3.82 1a9xC1 VAL 2903 H 0.13 0.45 -0.83 -0.55 8.24 7.45 1a9xC1 VAL 2903 HA 0.09 0.06 0.96 -0.75 4.13 4.49 1a9xC1 VAL 2903 HB 0.31 0.27 0.04 -0.04 2.12 2.69 1a9xC1 VAL 2903 HG13 0.34 -0.02 -0.18 -0.04 0.97 1.06 1a9xC1 VAL 2903 HG23 0.22 -0.08 -0.24 -0.04 0.95 0.81 1a9xC1 ASP 2904 H 0.03 0.07 0.12 -0.55 8.40 8.07 1a9xC1 ASP 2904 HA -0.09 0.15 0.51 -0.75 4.63 4.44 1a9xC1 ASP 2904 HB2 -0.03 0.02 0.10 -0.04 2.71 2.75 1a9xC1 ASP 2904 HB3 -0.04 -0.05 0.15 -0.04 2.70 2.72 1a9xC1 PRO 2905 HA -2.39 0.09 0.44 -0.51 4.44 2.07 1a9xC1 PRO 2905 HB2 -0.16 -0.02 0.16 -0.04 2.28 2.21 1a9xC1 PRO 2905 HB3 -0.36 0.04 0.02 -0.04 2.02 1.67 1a9xC1 PRO 2905 HG2 -0.22 -0.03 -0.13 -0.04 2.03 1.61 1a9xC1 PRO 2905 HG3 -0.13 0.16 -0.02 -0.04 2.03 2.00 1a9xC1 PRO 2905 HD2 -0.18 -0.05 -0.01 -0.04 3.68 3.40 1a9xC1 PRO 2905 HD3 -0.14 0.36 0.31 -0.04 3.65 4.14 1a9xC1 LEU 2906 H -0.39 0.59 -0.03 -0.55 8.37 7.99 1a9xC1 LEU 2906 HA -0.02 0.03 0.70 -0.75 4.35 4.32 1a9xC1 LEU 2906 HB2 -0.09 -0.06 -0.29 -0.04 1.64 1.15 1a9xC1 LEU 2906 HB3 -0.05 0.09 -0.02 -0.04 1.64 1.61 1a9xC1 LEU 2906 HG 0.01 0.17 -0.16 -0.04 1.64 1.62 1a9xC1 LEU 2906 HD13 0.00 -0.04 0.03 -0.04 0.93 0.88 1a9xC1 LEU 2906 HD23 -0.02 -0.02 -0.10 -0.04 0.89 0.71 1a9xC1 LEU 2907 H 0.07 0.07 0.15 -0.55 8.37 8.10 1a9xC1 LEU 2907 HA 0.17 0.15 0.64 -0.75 4.35 4.55 1a9xC1 LEU 2907 HB2 0.08 -0.06 0.05 -0.04 1.64 1.68 1a9xC1 LEU 2907 HB3 0.10 0.01 0.06 -0.04 1.64 1.78 1a9xC1 LEU 2907 HG 0.09 -0.03 0.03 -0.04 1.64 1.70 1a9xC1 LEU 2907 HD13 0.07 -0.00 0.00 -0.04 0.93 0.96 1a9xC1 LEU 2907 HD23 0.19 0.03 -0.09 -0.04 0.89 0.98 1a9xC1 GLY 2908 H 0.10 0.26 0.28 -0.55 8.43 8.53 1a9xC1 GLY 2908 HA2 0.05 0.19 0.66 -0.51 4.01 4.40 1a9xC1 GLY 2908 HA3 0.05 0.06 0.39 -0.51 4.01 3.99 1a9xC1 PRO 2909 HA 0.11 -0.09 0.25 -0.51 4.44 4.21 1a9xC1 PRO 2909 HB2 0.04 0.05 -0.07 -0.04 2.28 2.26 1a9xC1 PRO 2909 HB3 0.04 -0.03 -0.02 -0.04 2.02 1.97 1a9xC1 PRO 2909 HG2 -0.03 0.24 -0.10 -0.04 2.03 2.10 1a9xC1 PRO 2909 HG3 -0.07 -0.01 -0.05 -0.04 2.03 1.86 1a9xC1 PRO 2909 HD2 0.00 0.12 0.24 -0.04 3.68 4.00 1a9xC1 PRO 2909 HD3 -0.01 0.17 0.26 -0.04 3.65 4.03 1a9xC1 GLU 2910 H 0.05 0.10 -0.43 -0.55 8.60 7.77 1a9xC1 GLU 2910 HA 0.00 0.15 0.85 -0.75 4.29 4.54 1a9xC1 GLU 2910 HB2 -0.01 -0.02 0.01 -0.04 2.09 2.03 1a9xC1 GLU 2910 HB3 -0.03 0.01 0.03 -0.04 1.99 1.96 1a9xC1 GLU 2910 HG2 -0.12 0.11 -0.08 -0.04 2.34 2.21 1a9xC1 GLU 2910 HG3 -0.07 0.01 0.04 -0.04 2.34 2.29 1a9xC1 MET 2911 H -0.31 0.17 0.11 -0.55 8.47 7.89 1a9xC1 MET 2911 HA -0.14 0.02 0.53 -0.75 4.52 4.18 1a9xC1 MET 2911 HB2 -1.27 -0.11 0.02 -0.04 2.15 0.75 1a9xC1 MET 2911 HB3 -0.46 0.09 0.10 -0.04 2.03 1.72 1a9xC1 MET 2911 HG2 -0.15 0.09 -0.30 -0.04 2.63 2.23 1a9xC1 MET 2911 HG3 -0.13 -0.07 -0.14 -0.04 2.56 2.18 1a9xC1 MET 2911 HE3 -0.03 0.09 -0.02 -0.04 2.10 2.10 1a9xC1 ARG 2912 H -0.05 0.02 0.17 -0.55 8.46 8.05 1a9xC1 ARG 2912 HA -0.10 0.25 0.91 -0.75 4.34 4.65 1a9xC1 ARG 2912 HB2 0.00 -0.02 0.02 -0.04 1.90 1.86 1a9xC1 ARG 2912 HB3 0.04 -0.05 0.09 -0.04 1.80 1.83 1a9xC1 ARG 2912 HG2 -0.26 0.08 -0.00 -0.04 1.67 1.44 1a9xC1 ARG 2912 HG3 -0.28 0.14 -0.03 -0.04 1.67 1.46 1a9xC1 ARG 2912 HD2 -0.09 -0.04 -0.36 -0.04 3.22 2.69 1a9xC1 ARG 2912 HD3 0.02 -0.00 -0.24 -0.04 3.22 2.96 1a9xC1 SER 2913 H -0.05 -0.04 0.07 -0.55 8.46 7.89 1a9xC1 SER 2913 HA -0.08 0.09 0.69 -0.75 4.49 4.44 1a9xC1 SER 2913 HB2 -0.05 0.10 0.20 -0.04 3.95 4.16 1a9xC1 SER 2913 HB3 -0.05 -0.07 0.02 -0.04 3.93 3.79 1a9xC1 THR 2914 H -0.04 0.44 0.40 -0.55 8.28 8.53 1a9xC1 THR 2914 HA -0.01 0.06 0.80 -0.75 4.39 4.49 1a9xC1 THR 2914 HB -0.01 -0.09 -0.08 -0.04 4.32 4.09 1a9xC1 THR 2914 HG23 -0.00 -0.01 -0.05 -0.04 1.22 1.12 1a9xC1 GLY 2915 H -0.04 0.23 0.30 -0.55 8.43 8.37 1a9xC1 GLY 2915 HA2 -0.03 0.06 0.88 -0.51 4.01 4.41 1a9xC1 GLY 2915 HA3 -0.02 0.06 0.43 -0.51 4.01 3.96 1a9xC1 GLU 2916 H -0.04 0.15 0.28 -0.55 8.60 8.44 1a9xC1 GLU 2916 HA -0.06 0.21 0.83 -0.75 4.29 4.51 1a9xC1 GLU 2916 HB2 -0.11 0.19 0.12 -0.04 2.09 2.24 1a9xC1 GLU 2916 HB3 -0.08 -0.03 -0.26 -0.04 1.99 1.58 1a9xC1 GLU 2916 HG2 -0.06 -0.19 0.03 -0.04 2.34 2.08 1a9xC1 GLU 2916 HG3 -0.05 0.10 -0.40 -0.04 2.34 1.95 1a9xC1 VAL 2917 H -0.07 0.71 0.38 -0.55 8.24 8.71 1a9xC1 VAL 2917 HA -0.02 0.22 0.84 -0.75 4.13 4.41 1a9xC1 VAL 2917 HB -0.04 0.09 0.03 -0.04 2.12 2.16 1a9xC1 VAL 2917 HG13 -0.03 -0.02 -0.34 -0.04 0.97 0.53 1a9xC1 VAL 2917 HG23 -0.08 -0.01 -0.18 -0.04 0.95 0.64 1a9xC1 MET 2918 H 0.00 0.54 0.29 -0.55 8.47 8.75 1a9xC1 MET 2918 HA 0.08 0.32 1.04 -0.75 4.52 5.20 1a9xC1 MET 2918 HB2 0.20 -0.11 -0.07 -0.04 2.15 2.13 1a9xC1 MET 2918 HB3 0.06 0.04 0.04 -0.04 2.03 2.12 1a9xC1 MET 2918 HG2 0.06 0.05 -0.26 -0.04 2.63 2.44 1a9xC1 MET 2918 HG3 0.28 -0.00 -0.02 -0.04 2.56 2.78 1a9xC1 MET 2918 HE3 -0.06 0.02 -0.18 -0.04 2.10 1.84 1a9xC1 GLY 2919 H 0.06 0.57 0.37 -0.55 8.43 8.89 1a9xC1 GLY 2919 HA2 -0.03 0.17 0.78 -0.51 4.01 4.42 1a9xC1 GLY 2919 HA3 -0.06 0.02 0.38 -0.51 4.01 3.84 1a9xC1 VAL 2920 H -0.03 0.27 0.20 -0.55 8.24 8.13 1a9xC1 VAL 2920 HA 0.04 0.34 1.16 -0.75 4.13 4.91 1a9xC1 VAL 2920 HB -0.10 -0.00 0.11 -0.04 2.12 2.08 1a9xC1 VAL 2920 HG13 -0.30 0.02 -0.07 -0.04 0.97 0.57 1a9xC1 VAL 2920 HG23 -0.08 0.02 -0.14 -0.04 0.95 0.71 1a9xC1 GLY 2921 H 0.12 0.65 0.28 -0.55 8.43 8.94 1a9xC1 GLY 2921 HA2 0.03 0.21 0.74 -0.51 4.01 4.48 1a9xC1 GLY 2921 HA3 0.05 -0.12 0.20 -0.51 4.01 3.63 1a9xC1 ARG 2922 H 0.07 0.19 0.18 -0.55 8.46 8.34 1a9xC1 ARG 2922 HA 0.15 0.18 0.49 -0.75 4.34 4.40 1a9xC1 ARG 2922 HB2 0.06 -0.06 0.13 -0.04 1.90 1.99 1a9xC1 ARG 2922 HB3 0.08 0.04 0.08 -0.04 1.80 1.96 1a9xC1 ARG 2922 HG2 0.07 0.07 0.06 -0.04 1.67 1.83 1a9xC1 ARG 2922 HG3 0.06 -0.01 0.02 -0.04 1.67 1.69 1a9xC1 ARG 2922 HD2 0.04 0.01 0.02 -0.04 3.22 3.25 1a9xC1 ARG 2922 HD3 0.03 0.05 -0.00 -0.04 3.22 3.26 1a9xC1 THR 2923 H 0.11 -0.01 -0.20 -0.55 8.28 7.63 1a9xC1 THR 2923 HA 0.28 0.34 0.77 -0.75 4.39 5.02 1a9xC1 THR 2923 HB 0.05 -0.09 0.04 -0.04 4.32 4.27 1a9xC1 THR 2923 HG23 0.10 0.06 -0.16 -0.04 1.22 1.18 1a9xC1 PHE 2924 H -0.35 0.29 0.10 -0.55 8.34 7.83 1a9xC1 PHE 2924 HA -0.54 0.11 0.29 -0.75 4.62 3.73 1a9xC1 PHE 2924 HB2 -0.93 0.13 0.09 -0.04 3.15 2.39 1a9xC1 PHE 2924 HB3 -0.33 0.00 0.10 -0.04 3.06 2.79 1a9xC1 PHE 2924 HD2 -0.25 0.05 -0.15 -0.04 7.28 6.88 1a9xC1 PHE 2924 HE2 -0.48 0.02 -0.11 -0.04 7.38 6.77 1a9xC1 PHE 2924 HZ -0.78 -0.03 -0.09 -0.04 7.32 6.38 1a9xC1 ALA 2925 H 0.01 0.12 -0.26 -0.55 8.40 7.73 1a9xC1 ALA 2925 HA -0.20 0.09 0.20 -0.75 4.34 3.67 1a9xC1 ALA 2925 HB3 0.02 0.05 -0.15 -0.04 1.41 1.29 1a9xC1 GLU 2926 H -0.04 0.05 -0.35 -0.55 8.60 7.71 1a9xC1 GLU 2926 HA -0.05 0.10 0.39 -0.75 4.29 3.99 1a9xC1 GLU 2926 HB2 0.00 -0.03 0.11 -0.04 2.09 2.14 1a9xC1 GLU 2926 HB3 0.01 -0.12 0.10 -0.04 1.99 1.94 1a9xC1 GLU 2926 HG2 -0.03 0.07 -0.01 -0.04 2.34 2.32 1a9xC1 GLU 2926 HG3 -0.02 0.00 0.03 -0.04 2.34 2.31 1a9xC1 ALA 2927 H -0.07 0.63 -0.16 -0.55 8.40 8.25 1a9xC1 ALA 2927 HA -0.03 0.02 -0.03 -0.75 4.34 3.55 1a9xC1 ALA 2927 HB3 0.01 0.03 -0.12 -0.04 1.41 1.29 1a9xC1 PHE 2928 H -0.37 0.75 -0.07 -0.55 8.34 8.10 1a9xC1 PHE 2928 HA -0.30 -0.06 0.24 -0.75 4.62 3.76 1a9xC1 PHE 2928 HB2 -1.23 0.02 0.04 -0.04 3.15 1.95 1a9xC1 PHE 2928 HB3 -0.48 0.11 0.01 -0.04 3.06 2.66 1a9xC1 PHE 2928 HD2 -0.21 0.06 -0.17 -0.04 7.28 6.92 1a9xC1 PHE 2928 HE2 -0.02 -0.03 -0.14 -0.04 7.38 7.14 1a9xC1 PHE 2928 HZ 0.02 -0.04 -0.04 -0.04 7.32 7.22 1a9xC1 ALA 2929 H -0.08 0.48 -0.50 -0.55 8.40 7.75 1a9xC1 ALA 2929 HA -0.08 0.02 0.40 -0.75 4.34 3.92 1a9xC1 ALA 2929 HB3 -0.06 0.04 0.06 -0.04 1.41 1.41 1a9xC1 LYS 2930 H -0.11 0.59 -0.05 -0.55 8.42 8.30 1a9xC1 LYS 2930 HA -0.11 -0.02 0.60 -0.75 4.32 4.04 1a9xC1 LYS 2930 HB2 -0.07 -0.05 0.26 -0.04 1.87 1.97 1a9xC1 LYS 2930 HB3 -0.07 -0.03 0.23 -0.04 1.79 1.89 1a9xC1 LYS 2930 HG2 -0.08 0.02 0.20 -0.04 1.46 1.56 1a9xC1 LYS 2930 HG3 -0.08 0.09 0.16 -0.04 1.46 1.60 1a9xC1 LYS 2930 HD2 -0.04 -0.12 -0.12 -0.04 1.69 1.37 1a9xC1 LYS 2930 HD3 -0.04 -0.15 0.14 -0.04 1.68 1.59 1a9xC1 LYS 2930 HE2 -0.04 -0.13 0.18 -0.04 2.99 2.95 1a9xC1 LYS 2930 HE3 -0.04 0.01 0.21 -0.04 2.99 3.13 1a9xC1 ALA 2931 H -0.18 0.62 -0.08 -0.55 8.40 8.21 1a9xC1 ALA 2931 HA -0.13 0.03 0.14 -0.75 4.34 3.63 1a9xC1 ALA 2931 HB3 -0.26 -0.01 -0.12 -0.04 1.41 0.99 1a9xC1 GLN 2932 H -0.39 0.67 -0.24 -0.55 8.47 7.96 1a9xC1 GLN 2932 HA -0.25 -0.03 0.37 -0.75 4.36 3.70 1a9xC1 GLN 2932 HB2 -0.56 0.09 0.09 -0.04 2.15 1.73 1a9xC1 GLN 2932 HB3 -0.21 0.11 0.07 -0.04 2.02 1.96 1a9xC1 GLN 2932 HG2 -0.12 -0.05 -0.04 -0.04 2.40 2.15 1a9xC1 GLN 2932 HG3 -0.13 -0.07 0.02 -0.04 2.39 2.16 1a9xC1 GLN 2932 HE21 -0.18 0.03 -0.08 -0.04 6.97 6.70 1a9xC1 GLN 2932 HE22 -0.17 0.07 -0.10 -0.04 7.69 7.45 1a9xC1 LEU 2933 H -0.14 0.54 -0.10 -0.55 8.37 8.12 1a9xC1 LEU 2933 HA -0.06 0.11 0.47 -0.75 4.35 4.11 1a9xC1 LEU 2933 HB2 -0.12 0.05 0.12 -0.04 1.64 1.65 1a9xC1 LEU 2933 HB3 -0.10 0.05 0.18 -0.04 1.64 1.72 1a9xC1 LEU 2933 HG -0.04 -0.04 -0.15 -0.04 1.64 1.37 1a9xC1 LEU 2933 HD13 -0.13 0.02 0.02 -0.04 0.93 0.79 1a9xC1 LEU 2933 HD23 -0.24 -0.04 -0.05 -0.04 0.89 0.52 1a9xC1 GLY 2934 H -0.09 0.69 -0.15 -0.55 8.43 8.33 1a9xC1 GLY 2934 HA2 -0.03 -0.16 0.36 -0.51 4.01 3.68 1a9xC1 GLY 2934 HA3 -0.05 0.06 0.31 -0.51 4.01 3.81 1a9xC1 SER 2935 H -0.08 0.40 -0.50 -0.55 8.46 7.74 1a9xC1 SER 2935 HA -0.04 -0.01 0.34 -0.75 4.49 4.03 1a9xC1 SER 2935 HB2 -0.06 0.02 0.00 -0.04 3.95 3.88 1a9xC1 SER 2935 HB3 -0.10 0.09 -0.01 -0.04 3.93 3.88 1a9xC1 ASN 2936 H -0.01 0.40 -0.70 -0.55 8.53 7.68 1a9xC1 ASN 2936 HA 0.03 0.07 0.29 -0.75 4.76 4.40 1a9xC1 ASN 2936 HB2 0.01 -0.07 -0.27 -0.04 2.88 2.51 1a9xC1 ASN 2936 HB3 0.02 0.11 0.17 -0.04 2.79 3.05 1a9xC1 ASN 2936 HD21 0.02 0.02 0.04 -0.04 7.03 7.07 1a9xC1 ASN 2936 HD22 0.02 -0.04 0.05 -0.04 7.74 7.72 1a9xC1 SER 2937 H 0.01 0.33 -0.10 -0.55 8.46 8.15 1a9xC1 SER 2937 HA 0.15 0.03 0.41 -0.75 4.49 4.32 1a9xC1 SER 2937 HB2 0.11 -0.02 0.07 -0.04 3.95 4.07 1a9xC1 SER 2937 HB3 -0.03 0.09 -0.03 -0.04 3.93 3.91 1a9xC1 THR 2938 H 0.22 0.06 0.14 -0.55 8.28 8.16 1a9xC1 THR 2938 HA 0.08 0.21 0.83 -0.75 4.39 4.76 1a9xC1 THR 2938 HB 0.12 0.07 0.29 -0.04 4.32 4.75 1a9xC1 THR 2938 HG23 0.09 0.03 0.03 -0.04 1.22 1.34 1a9xC1 MET 2939 H -0.01 -0.06 -0.30 -0.55 8.47 7.56 1a9xC1 MET 2939 HA 0.06 0.10 0.51 -0.75 4.52 4.44 1a9xC1 MET 2939 HB2 -0.62 -0.13 0.05 -0.04 2.15 1.42 1a9xC1 MET 2939 HB3 -0.19 0.01 -0.06 -0.04 2.03 1.75 1a9xC1 MET 2939 HG2 -0.36 -0.10 -0.08 -0.04 2.63 2.05 1a9xC1 MET 2939 HG3 -0.16 0.14 -0.22 -0.04 2.56 2.28 1a9xC1 MET 2939 HE3 -0.59 0.02 -0.10 -0.04 2.10 1.39 1a9xC1 LYS 2940 H 0.05 0.20 0.25 -0.55 8.42 8.37 1a9xC1 LYS 2940 HA -0.04 0.17 0.90 -0.75 4.32 4.59 1a9xC1 LYS 2940 HB2 -0.16 0.11 0.14 -0.04 1.87 1.91 1a9xC1 LYS 2940 HB3 -0.43 -0.15 0.14 -0.04 1.79 1.31 1a9xC1 LYS 2940 HG2 0.02 0.17 -0.27 -0.04 1.46 1.33 1a9xC1 LYS 2940 HG3 -0.01 0.01 0.10 -0.04 1.46 1.52 1a9xC1 LYS 2940 HD2 0.04 -0.00 0.03 -0.04 1.69 1.72 1a9xC1 LYS 2940 HD3 -0.01 -0.12 0.04 -0.04 1.68 1.56 1a9xC1 LYS 2940 HE2 0.06 -0.10 -0.00 -0.04 2.99 2.91 1a9xC1 LYS 2940 HE3 0.02 0.14 -0.18 -0.04 2.99 2.93 1a9xC1 LYS 2941 H -0.06 0.12 0.14 -0.55 8.42 8.07 1a9xC1 LYS 2941 HA 0.09 0.28 0.98 -0.75 4.32 4.92 1a9xC1 LYS 2941 HB2 0.05 -0.07 0.12 -0.04 1.87 1.93 1a9xC1 LYS 2941 HB3 0.04 0.06 0.19 -0.04 1.79 2.04 1a9xC1 LYS 2941 HG2 0.02 0.04 -0.00 -0.04 1.46 1.48 1a9xC1 LYS 2941 HG3 -0.01 -0.08 -0.18 -0.04 1.46 1.15 1a9xC1 LYS 2941 HD2 -0.02 -0.11 0.02 -0.04 1.69 1.53 1a9xC1 LYS 2941 HD3 0.01 -0.02 0.05 -0.04 1.68 1.68 1a9xC1 LYS 2941 HE2 -0.00 0.13 0.21 -0.04 2.99 3.29 1a9xC1 LYS 2941 HE3 -0.03 -0.11 0.04 -0.04 2.99 2.85 1a9xC1 HIS 2942 H -0.62 0.05 -0.25 -0.55 8.41 7.04 1a9xC1 HIS 2942 HA -0.93 0.27 0.55 -0.75 4.63 3.77 1a9xC1 HIS 2942 HB2 -0.25 -0.04 0.12 -0.04 3.26 3.06 1a9xC1 HIS 2942 HB3 -0.18 0.06 -0.21 -0.04 3.20 2.83 1a9xC1 HIS 2942 HD2 -0.06 -0.04 -0.06 -0.04 6.97 6.77 1a9xC1 HIS 2942 HE1 -0.01 0.04 -0.06 -0.04 7.75 7.67 1a9xC1 GLY 2943 H -0.15 0.21 0.13 -0.55 8.43 8.07 1a9xC1 GLY 2943 HA2 0.08 0.03 0.33 -0.51 4.01 3.94 1a9xC1 GLY 2943 HA3 0.00 0.14 0.75 -0.51 4.01 4.39 1a9xC1 ARG 2944 H 0.17 0.24 0.22 -0.55 8.46 8.54 1a9xC1 ARG 2944 HA 0.31 0.23 1.11 -0.75 4.34 5.24 1a9xC1 ARG 2944 HB2 0.10 -0.05 0.01 -0.04 1.90 1.92 1a9xC1 ARG 2944 HB3 0.12 0.28 0.21 -0.04 1.80 2.36 1a9xC1 ARG 2944 HG2 0.38 0.01 -0.37 -0.04 1.67 1.64 1a9xC1 ARG 2944 HG3 0.19 -0.01 -0.31 -0.04 1.67 1.50 1a9xC1 ARG 2944 HD2 -0.05 0.01 -0.18 -0.04 3.22 2.96 1a9xC1 ARG 2944 HD3 0.16 -0.09 -0.22 -0.04 3.22 3.03 1a9xC1 ALA 2945 H 0.34 0.62 0.30 -0.55 8.40 9.11 1a9xC1 ALA 2945 HA 0.23 0.30 1.00 -0.75 4.34 5.11 1a9xC1 ALA 2945 HB3 0.08 -0.00 -0.08 -0.04 1.41 1.37 1a9xC1 LEU 2946 H -0.20 0.63 0.42 -0.55 8.37 8.67 1a9xC1 LEU 2946 HA -0.15 0.16 0.93 -0.75 4.35 4.54 1a9xC1 LEU 2946 HB2 -1.30 0.04 -0.08 -0.04 1.64 0.25 1a9xC1 LEU 2946 HB3 -0.69 0.03 0.11 -0.04 1.64 1.04 1a9xC1 LEU 2946 HG -0.26 -0.04 -0.46 -0.04 1.64 0.84 1a9xC1 LEU 2946 HD13 -0.14 -0.00 -0.24 -0.04 0.93 0.51 1a9xC1 LEU 2946 HD23 -0.41 -0.01 -0.14 -0.04 0.89 0.29 1a9xC1 LEU 2947 H -0.08 0.59 0.24 -0.55 8.37 8.57 1a9xC1 LEU 2947 HA -0.12 0.23 1.06 -0.75 4.35 4.77 1a9xC1 LEU 2947 HB2 -0.03 0.10 0.13 -0.04 1.64 1.80 1a9xC1 LEU 2947 HB3 -0.05 -0.11 -0.08 -0.04 1.64 1.36 1a9xC1 LEU 2947 HG -0.06 -0.02 -0.09 -0.04 1.64 1.43 1a9xC1 LEU 2947 HD13 -0.02 -0.01 -0.37 -0.04 0.93 0.49 1a9xC1 LEU 2947 HD23 -0.03 -0.01 -0.12 -0.04 0.89 0.70 1a9xC1 SER 2948 H -0.08 0.77 0.17 -0.55 8.46 8.77 1a9xC1 SER 2948 HA -0.04 -0.06 0.72 -0.75 4.49 4.35 1a9xC1 SER 2948 HB2 -0.08 0.03 -0.24 -0.04 3.95 3.62 1a9xC1 SER 2948 HB3 -0.08 0.04 0.13 -0.04 3.93 3.98 1a9xC1 VAL 2949 H -0.02 0.13 0.11 -0.55 8.24 7.91 1a9xC1 VAL 2949 HA -0.02 0.14 1.16 -0.75 4.13 4.65 1a9xC1 VAL 2949 HB -0.00 -0.13 0.08 -0.04 2.12 2.03 1a9xC1 VAL 2949 HG13 -0.03 0.01 -0.23 -0.04 0.97 0.67 1a9xC1 VAL 2949 HG23 -0.00 0.03 -0.27 -0.04 0.95 0.67 1a9xC1 ARG 2950 H -0.00 0.04 0.06 -0.55 8.46 8.01 1a9xC1 ARG 2950 HA -0.01 0.25 0.86 -0.75 4.34 4.68 1a9xC1 ARG 2950 HB2 -0.03 -0.04 0.07 -0.04 1.90 1.85 1a9xC1 ARG 2950 HB3 -0.03 0.10 -0.04 -0.04 1.80 1.79 1a9xC1 ARG 2950 HG2 -0.00 0.06 -0.37 -0.04 1.67 1.31 1a9xC1 ARG 2950 HG3 0.01 -0.14 0.02 -0.04 1.67 1.52 1a9xC1 ARG 2950 HD2 0.02 -0.10 -0.16 -0.04 3.22 2.94 1a9xC1 ARG 2950 HD3 -0.01 -0.02 -0.13 -0.04 3.22 3.02 1a9xC1 GLU 2951 H -0.01 0.19 0.16 -0.55 8.60 8.39 1a9xC1 GLU 2951 HA 0.01 0.13 0.35 -0.75 4.29 4.02 1a9xC1 GLU 2951 HB2 -0.01 -0.06 0.18 -0.04 2.09 2.16 1a9xC1 GLU 2951 HB3 0.00 0.11 0.02 -0.04 1.99 2.08 1a9xC1 GLU 2951 HG2 -0.01 -0.03 0.12 -0.04 2.34 2.38 1a9xC1 GLU 2951 HG3 -0.01 0.07 0.06 -0.04 2.34 2.42 1a9xC1 GLY 2952 H 0.01 0.10 -0.08 -0.55 8.43 7.91 1a9xC1 GLY 2952 HA2 0.03 0.14 0.38 -0.51 4.01 4.05 1a9xC1 GLY 2952 HA3 0.04 0.04 0.29 -0.51 4.01 3.87 1a9xC1 ASP 2953 H 0.02 0.37 -0.46 -0.55 8.40 7.78 1a9xC1 ASP 2953 HA 0.05 0.12 0.73 -0.75 4.63 4.78 1a9xC1 ASP 2953 HB2 0.02 0.07 0.07 -0.04 2.71 2.83 1a9xC1 ASP 2953 HB3 0.03 -0.01 0.00 -0.04 2.70 2.67 1a9xC1 LYS 2954 H 0.02 0.45 -0.18 -0.55 8.42 8.16 1a9xC1 LYS 2954 HA 0.02 -0.03 0.23 -0.75 4.32 3.79 1a9xC1 LYS 2954 HB2 0.02 0.27 0.16 -0.04 1.87 2.27 1a9xC1 LYS 2954 HB3 0.02 0.05 0.03 -0.04 1.79 1.85 1a9xC1 LYS 2954 HG2 0.01 0.03 -0.04 -0.04 1.46 1.42 1a9xC1 LYS 2954 HG3 0.01 -0.09 -0.20 -0.04 1.46 1.13 1a9xC1 LYS 2954 HD2 0.01 -0.13 -0.25 -0.04 1.69 1.28 1a9xC1 LYS 2954 HD3 0.02 0.06 -0.04 -0.04 1.68 1.67 1a9xC1 LYS 2954 HE2 0.02 0.08 -0.42 -0.04 2.99 2.63 1a9xC1 LYS 2954 HE3 0.01 0.06 -0.24 -0.04 2.99 2.78 1a9xC1 GLU 2955 H 0.03 0.13 -0.57 -0.55 8.60 7.65 1a9xC1 GLU 2955 HA 0.03 0.14 0.37 -0.75 4.29 4.07 1a9xC1 GLU 2955 HB2 0.03 0.06 0.07 -0.04 2.09 2.22 1a9xC1 GLU 2955 HB3 0.04 0.01 0.04 -0.04 1.99 2.04 1a9xC1 GLU 2955 HG2 0.02 0.04 0.02 -0.04 2.34 2.39 1a9xC1 GLU 2955 HG3 0.02 -0.01 0.01 -0.04 2.34 2.32 1a9xC1 ARG 2956 H 0.07 0.15 0.02 -0.55 8.46 8.14 1a9xC1 ARG 2956 HA 0.12 0.10 0.44 -0.75 4.34 4.25 1a9xC1 ARG 2956 HB2 0.12 0.02 0.17 -0.04 1.90 2.17 1a9xC1 ARG 2956 HB3 0.31 -0.05 -0.05 -0.04 1.80 1.97 1a9xC1 ARG 2956 HG2 0.08 0.01 0.06 -0.04 1.67 1.77 1a9xC1 ARG 2956 HG3 0.05 0.04 0.03 -0.04 1.67 1.75 1a9xC1 ARG 2956 HD2 0.02 0.06 0.02 -0.04 3.22 3.27 1a9xC1 ARG 2956 HD3 0.12 -0.06 0.02 -0.04 3.22 3.26 1a9xC1 VAL 2957 H 0.06 0.54 -0.31 -0.55 8.24 7.98 1a9xC1 VAL 2957 HA -0.00 0.01 0.44 -0.75 4.13 3.81 1a9xC1 VAL 2957 HB 0.01 -0.04 -0.12 -0.04 2.12 1.93 1a9xC1 VAL 2957 HG13 0.02 0.05 -0.19 -0.04 0.97 0.81 1a9xC1 VAL 2957 HG23 -0.03 -0.02 -0.10 -0.04 0.95 0.76 1a9xC1 VAL 2958 H 0.05 0.39 -0.31 -0.55 8.24 7.83 1a9xC1 VAL 2958 HA 0.03 0.06 0.34 -0.75 4.13 3.80 1a9xC1 VAL 2958 HB 0.05 0.00 0.08 -0.04 2.12 2.21 1a9xC1 VAL 2958 HG13 0.03 0.01 -0.09 -0.04 0.97 0.88 1a9xC1 VAL 2958 HG23 0.03 0.05 0.04 -0.04 0.95 1.02 1a9xC1 ASP 2959 H 0.12 0.21 -0.19 -0.55 8.40 7.99 1a9xC1 ASP 2959 HA 0.09 0.10 0.39 -0.75 4.63 4.46 1a9xC1 ASP 2959 HB2 0.10 0.02 0.09 -0.04 2.71 2.88 1a9xC1 ASP 2959 HB3 0.30 0.04 0.07 -0.04 2.70 3.07 1a9xC1 LEU 2960 H 0.13 0.26 -0.31 -0.55 8.37 7.90 1a9xC1 LEU 2960 HA -0.06 0.05 0.35 -0.75 4.35 3.94 1a9xC1 LEU 2960 HB2 -1.04 -0.03 -0.00 -0.04 1.64 0.53 1a9xC1 LEU 2960 HB3 -0.23 0.05 0.07 -0.04 1.64 1.49 1a9xC1 LEU 2960 HG -0.18 0.05 -0.29 -0.04 1.64 1.17 1a9xC1 LEU 2960 HD13 -0.53 0.00 -0.18 -0.04 0.93 0.18 1a9xC1 LEU 2960 HD23 -0.27 -0.03 -0.11 -0.04 0.89 0.45 1a9xC1 ALA 2961 H -0.01 0.75 -0.11 -0.55 8.40 8.48 1a9xC1 ALA 2961 HA -0.01 -0.02 0.31 -0.75 4.34 3.87 1a9xC1 ALA 2961 HB3 0.01 0.01 0.04 -0.04 1.41 1.43 1a9xC1 ALA 2962 H 0.04 0.58 -0.33 -0.55 8.40 8.14 1a9xC1 ALA 2962 HA 0.04 0.03 0.36 -0.75 4.34 4.01 1a9xC1 ALA 2962 HB3 0.04 0.02 0.08 -0.04 1.41 1.51 1a9xC1 LYS 2963 H 0.05 0.61 -0.04 -0.55 8.42 8.48 1a9xC1 LYS 2963 HA 0.05 0.00 0.37 -0.75 4.32 3.98 1a9xC1 LYS 2963 HB2 0.06 0.08 0.21 -0.04 1.87 2.18 1a9xC1 LYS 2963 HB3 0.01 -0.01 -0.07 -0.04 1.79 1.67 1a9xC1 LYS 2963 HG2 0.07 0.00 -0.03 -0.04 1.46 1.46 1a9xC1 LYS 2963 HG3 0.07 -0.02 0.03 -0.04 1.46 1.50 1a9xC1 LYS 2963 HD2 0.24 0.06 -0.13 -0.04 1.69 1.82 1a9xC1 LYS 2963 HD3 0.29 -0.07 -0.07 -0.04 1.68 1.79 1a9xC1 LYS 2963 HE2 0.13 -0.03 -0.05 -0.04 2.99 3.00 1a9xC1 LYS 2963 HE3 0.08 0.03 -0.04 -0.04 2.99 3.02 1a9xC1 LEU 2964 H -0.01 0.56 -0.27 -0.55 8.37 8.10 1a9xC1 LEU 2964 HA -0.02 0.08 0.45 -0.75 4.35 4.11 1a9xC1 LEU 2964 HB2 -0.03 0.09 -0.00 -0.04 1.64 1.66 1a9xC1 LEU 2964 HB3 -0.14 -0.03 -0.10 -0.04 1.64 1.32 1a9xC1 LEU 2964 HG -0.16 0.03 -0.08 -0.04 1.64 1.39 1a9xC1 LEU 2964 HD13 -0.06 -0.04 -0.20 -0.04 0.93 0.59 1a9xC1 LEU 2964 HD23 -0.69 0.00 -0.13 -0.04 0.89 0.04 1a9xC1 LEU 2965 H 0.06 0.46 -0.19 -0.55 8.37 8.15 1a9xC1 LEU 2965 HA 0.12 0.20 0.50 -0.75 4.35 4.41 1a9xC1 LEU 2965 HB2 0.05 0.10 0.24 -0.04 1.64 2.00 1a9xC1 LEU 2965 HB3 0.05 -0.05 -0.02 -0.04 1.64 1.59 1a9xC1 LEU 2965 HG 0.06 0.02 -0.02 -0.04 1.64 1.67 1a9xC1 LEU 2965 HD13 0.04 -0.04 -0.11 -0.04 0.93 0.77 1a9xC1 LEU 2965 HD23 0.07 0.04 0.03 -0.04 0.89 0.99 1a9xC1 LYS 2966 H 0.06 0.70 -0.02 -0.55 8.42 8.61 1a9xC1 LYS 2966 HA 0.05 -0.02 0.35 -0.75 4.32 3.94 1a9xC1 LYS 2966 HB2 0.05 0.00 0.08 -0.04 1.87 1.96 1a9xC1 LYS 2966 HB3 0.04 0.00 0.03 -0.04 1.79 1.82 1a9xC1 LYS 2966 HG2 0.04 0.14 0.10 -0.04 1.46 1.70 1a9xC1 LYS 2966 HG3 0.04 -0.11 -0.13 -0.04 1.46 1.23 1a9xC1 LYS 2966 HD2 0.03 -0.02 -0.01 -0.04 1.69 1.65 1a9xC1 LYS 2966 HD3 0.03 -0.01 -0.01 -0.04 1.68 1.65 1a9xC1 LYS 2966 HE2 0.03 -0.01 -0.05 -0.04 2.99 2.91 1a9xC1 LYS 2966 HE3 0.03 -0.03 -0.08 -0.04 2.99 2.86 1a9xC1 GLN 2967 H 0.11 0.31 -0.42 -0.55 8.47 7.91 1a9xC1 GLN 2967 HA 0.09 0.02 0.44 -0.75 4.36 4.16 1a9xC1 GLN 2967 HB2 0.10 -0.06 0.07 -0.04 2.15 2.22 1a9xC1 GLN 2967 HB3 0.21 -0.01 0.15 -0.04 2.02 2.32 1a9xC1 GLN 2967 HG2 0.34 -0.09 0.00 -0.04 2.40 2.61 1a9xC1 GLN 2967 HG3 0.31 0.05 -0.02 -0.04 2.39 2.69 1a9xC1 GLN 2967 HE21 0.05 -0.09 0.12 -0.04 6.97 7.00 1a9xC1 GLN 2967 HE22 0.09 0.69 0.27 -0.04 7.69 8.70 1a9xC1 GLY 2968 H 0.12 0.49 -0.50 -0.55 8.43 8.00 1a9xC1 GLY 2968 HA2 0.03 -0.04 0.33 -0.51 4.01 3.82 1a9xC1 GLY 2968 HA3 -0.01 0.18 1.11 -0.51 4.01 4.78 1a9xC1 PHE 2969 H 0.37 0.57 0.07 -0.55 8.34 8.79 1a9xC1 PHE 2969 HA 0.06 0.27 0.77 -0.75 4.62 4.96 1a9xC1 PHE 2969 HB2 0.04 0.11 -0.11 -0.04 3.15 3.15 1a9xC1 PHE 2969 HB3 0.07 -0.06 -0.22 -0.04 3.06 2.80 1a9xC1 PHE 2969 HD2 0.05 -0.03 -0.34 -0.04 7.28 6.92 1a9xC1 PHE 2969 HE2 -0.00 0.01 -0.35 -0.04 7.38 7.00 1a9xC1 PHE 2969 HZ -0.10 0.21 -0.30 -0.04 7.32 7.08 1a9xC1 GLU 2970 H 0.15 0.43 0.39 -0.55 8.60 9.03 1a9xC1 GLU 2970 HA 0.10 0.13 0.70 -0.75 4.29 4.47 1a9xC1 GLU 2970 HB2 0.09 -0.04 0.08 -0.04 2.09 2.19 1a9xC1 GLU 2970 HB3 0.07 -0.04 0.07 -0.04 1.99 2.06 1a9xC1 GLU 2970 HG2 0.05 0.03 -0.01 -0.04 2.34 2.37 1a9xC1 GLU 2970 HG3 0.04 0.10 -0.03 -0.04 2.34 2.40 1a9xC1 LEU 2971 H 0.09 0.17 0.18 -0.55 8.37 8.26 1a9xC1 LEU 2971 HA 0.14 0.35 1.40 -0.75 4.35 5.48 1a9xC1 LEU 2971 HB2 0.05 -0.11 -0.03 -0.04 1.64 1.52 1a9xC1 LEU 2971 HB3 0.05 0.01 -0.11 -0.04 1.64 1.55 1a9xC1 LEU 2971 HG 0.08 0.07 -0.13 -0.04 1.64 1.61 1a9xC1 LEU 2971 HD13 0.04 -0.00 -0.13 -0.04 0.93 0.79 1a9xC1 LEU 2971 HD23 0.09 0.03 -0.36 -0.04 0.89 0.61 1a9xC1 ASP 2972 H 0.10 0.64 0.40 -0.55 8.40 8.99 1a9xC1 ASP 2972 HA 0.07 0.18 1.05 -0.75 4.63 5.18 1a9xC1 ASP 2972 HB2 0.21 -0.05 -0.01 -0.04 2.71 2.82 1a9xC1 ASP 2972 HB3 0.12 -0.04 0.03 -0.04 2.70 2.77 1a9xC1 ALA 2973 H 0.03 0.70 0.31 -0.55 8.40 8.90 1a9xC1 ALA 2973 HA -0.03 0.15 0.75 -0.75 4.34 4.45 1a9xC1 ALA 2973 HB3 -0.01 0.00 -0.11 -0.04 1.41 1.25 1a9xC1 THR 2974 H -0.02 0.33 0.34 -0.55 8.28 8.38 1a9xC1 THR 2974 HA 0.02 0.33 0.92 -0.75 4.39 4.90 1a9xC1 THR 2974 HB 0.02 -0.08 0.19 -0.04 4.32 4.41 1a9xC1 THR 2974 HG23 -0.03 0.05 -0.09 -0.04 1.22 1.11 1a9xC1 HIS 2975 H 0.12 0.22 0.23 -0.55 8.41 8.44 1a9xC1 HIS 2975 HA 0.00 0.14 0.41 -0.75 4.63 4.42 1a9xC1 HIS 2975 HB2 -0.00 0.08 0.21 -0.04 3.26 3.51 1a9xC1 HIS 2975 HB3 0.00 -0.08 0.19 -0.04 3.20 3.27 1a9xC1 HIS 2975 HD2 0.01 0.04 0.03 -0.04 6.97 7.00 1a9xC1 HIS 2975 HE1 0.01 0.03 -0.04 -0.04 7.75 7.71 1a9xC1 GLY 2976 H 0.14 0.10 -0.02 -0.55 8.43 8.10 1a9xC1 GLY 2976 HA2 0.13 0.12 0.38 -0.51 4.01 4.12 1a9xC1 GLY 2976 HA3 0.08 0.04 0.32 -0.51 4.01 3.94 1a9xC1 THR 2977 H 0.02 0.13 -0.15 -0.55 8.28 7.73 1a9xC1 THR 2977 HA 0.00 0.06 0.49 -0.75 4.39 4.19 1a9xC1 THR 2977 HB -0.01 0.13 0.17 -0.04 4.32 4.57 1a9xC1 THR 2977 HG23 -0.01 0.02 -0.18 -0.04 1.22 1.00 1a9xC1 ALA 2978 H -0.02 0.67 -0.12 -0.55 8.40 8.39 1a9xC1 ALA 2978 HA -0.02 0.04 0.24 -0.75 4.34 3.85 1a9xC1 ALA 2978 HB3 -0.08 0.04 -0.11 -0.04 1.41 1.22 1a9xC1 ILE 2979 H -0.06 0.44 -0.27 -0.55 8.25 7.81 1a9xC1 ILE 2979 HA -0.06 0.06 0.37 -0.75 4.18 3.79 1a9xC1 ILE 2979 HB 0.00 0.09 0.19 -0.04 1.89 2.13 1a9xC1 ILE 2979 HG12 -0.27 0.08 0.04 -0.04 1.49 1.29 1a9xC1 ILE 2979 HG13 0.02 -0.11 -0.04 -0.04 1.21 1.04 1a9xC1 ILE 2979 HG23 0.00 -0.01 -0.13 -0.04 0.93 0.76 1a9xC1 ILE 2979 HD13 -0.05 -0.00 -0.01 -0.04 0.88 0.78 1a9xC1 VAL 2980 H -0.00 0.40 -0.13 -0.55 8.24 7.96 1a9xC1 VAL 2980 HA 0.01 0.01 0.32 -0.75 4.13 3.71 1a9xC1 VAL 2980 HB 0.01 0.02 0.19 -0.04 2.12 2.29 1a9xC1 VAL 2980 HG13 0.01 0.04 -0.14 -0.04 0.97 0.84 1a9xC1 VAL 2980 HG23 0.01 -0.02 0.05 -0.04 0.95 0.96 1a9xC1 LEU 2981 H -0.00 0.66 -0.09 -0.55 8.37 8.38 1a9xC1 LEU 2981 HA 0.01 -0.01 0.44 -0.75 4.35 4.03 1a9xC1 LEU 2981 HB2 -0.00 0.04 0.09 -0.04 1.64 1.73 1a9xC1 LEU 2981 HB3 0.01 0.01 -0.08 -0.04 1.64 1.53 1a9xC1 LEU 2981 HG -0.00 0.08 -0.07 -0.04 1.64 1.61 1a9xC1 LEU 2981 HD13 0.00 -0.03 -0.19 -0.04 0.93 0.68 1a9xC1 LEU 2981 HD23 0.01 -0.01 -0.15 -0.04 0.89 0.69 1a9xC1 GLY 2982 H -0.01 0.62 -0.01 -0.55 8.43 8.48 1a9xC1 GLY 2982 HA2 -0.00 0.08 0.29 -0.51 4.01 3.86 1a9xC1 GLY 2982 HA3 -0.01 0.01 0.34 -0.51 4.01 3.84 1a9xC1 GLU 2983 H -0.00 0.56 -0.30 -0.55 8.60 8.31 1a9xC1 GLU 2983 HA 0.00 0.00 0.36 -0.75 4.29 3.90 1a9xC1 GLU 2983 HB2 0.00 0.09 0.10 -0.04 2.09 2.25 1a9xC1 GLU 2983 HB3 0.01 -0.08 0.13 -0.04 1.99 2.00 1a9xC1 GLU 2983 HG2 0.00 -0.04 0.00 -0.04 2.34 2.26 1a9xC1 GLU 2983 HG3 -0.00 0.18 0.01 -0.04 2.34 2.49 1a9xC1 ALA 2984 H 0.01 0.89 -0.51 -0.55 8.40 8.24 1a9xC1 ALA 2984 HA 0.01 0.16 1.04 -0.75 4.34 4.80 1a9xC1 ALA 2984 HB3 0.02 -0.03 0.13 -0.04 1.41 1.49 1a9xC1 GLY 2985 H 0.01 0.58 -0.10 -0.55 8.43 8.37 1a9xC1 GLY 2985 HA2 0.01 -0.01 0.29 -0.51 4.01 3.79 1a9xC1 GLY 2985 HA3 0.01 0.11 0.64 -0.51 4.01 4.26 1a9xC1 ILE 2986 H 0.01 0.42 -0.25 -0.55 8.25 7.88 1a9xC1 ILE 2986 HA 0.02 0.21 0.91 -0.75 4.18 4.55 1a9xC1 ILE 2986 HB 0.01 -0.04 -0.05 -0.04 1.89 1.77 1a9xC1 ILE 2986 HG12 0.02 0.02 -0.13 -0.04 1.49 1.37 1a9xC1 ILE 2986 HG13 0.02 0.07 -0.45 -0.04 1.21 0.82 1a9xC1 ILE 2986 HG23 0.02 -0.02 -0.27 -0.04 0.93 0.62 1a9xC1 ILE 2986 HD13 0.02 -0.03 -0.09 -0.04 0.88 0.75 1a9xC1 ASN 2987 H 0.01 0.22 -0.02 -0.55 8.53 8.20 1a9xC1 ASN 2987 HA 0.00 0.23 1.10 -0.75 4.76 5.35 1a9xC1 ASN 2987 HB2 0.01 -0.02 0.15 -0.04 2.88 2.98 1a9xC1 ASN 2987 HB3 0.00 0.06 -0.01 -0.04 2.79 2.80 1a9xC1 ASN 2987 HD21 0.00 -0.01 -0.06 -0.04 7.03 6.92 1a9xC1 ASN 2987 HD22 0.00 -0.01 -0.02 -0.04 7.74 7.67 1a9xC1 PRO 2988 HA 0.03 0.17 0.51 -0.51 4.44 4.64 1a9xC1 PRO 2988 HB2 0.02 0.02 -0.34 -0.04 2.28 1.94 1a9xC1 PRO 2988 HB3 0.02 -0.00 -0.25 -0.04 2.02 1.76 1a9xC1 PRO 2988 HG2 -0.00 -0.06 -0.26 -0.04 2.03 1.66 1a9xC1 PRO 2988 HG3 0.00 -0.01 -0.19 -0.04 2.03 1.79 1a9xC1 PRO 2988 HD2 -0.01 0.06 0.09 -0.04 3.68 3.78 1a9xC1 PRO 2988 HD3 0.00 0.28 -0.05 -0.04 3.65 3.84 1a9xC1 ARG 2989 H 0.04 0.64 0.36 -0.55 8.46 8.95 1a9xC1 ARG 2989 HA 0.02 0.07 0.65 -0.75 4.34 4.32 1a9xC1 ARG 2989 HB2 0.04 0.04 0.13 -0.04 1.90 2.06 1a9xC1 ARG 2989 HB3 0.06 -0.05 0.16 -0.04 1.80 1.92 1a9xC1 ARG 2989 HG2 0.03 0.16 -0.14 -0.04 1.67 1.68 1a9xC1 ARG 2989 HG3 0.02 -0.02 0.06 -0.04 1.67 1.69 1a9xC1 ARG 2989 HD2 0.01 -0.01 -0.02 -0.04 3.22 3.17 1a9xC1 ARG 2989 HD3 0.02 0.01 -0.01 -0.04 3.22 3.20 1a9xC1 LEU 2990 H 0.01 0.16 0.17 -0.55 8.37 8.16 1a9xC1 LEU 2990 HA 0.01 0.16 0.62 -0.75 4.35 4.38 1a9xC1 LEU 2990 HB2 -0.02 0.03 0.04 -0.04 1.64 1.64 1a9xC1 LEU 2990 HB3 0.00 0.01 0.12 -0.04 1.64 1.72 1a9xC1 LEU 2990 HG 0.03 0.02 -0.19 -0.04 1.64 1.46 1a9xC1 LEU 2990 HD13 -0.01 -0.00 -0.00 -0.04 0.93 0.87 1a9xC1 LEU 2990 HD23 0.01 -0.00 -0.03 -0.04 0.89 0.82 1a9xC1 VAL 2991 H 0.03 0.46 0.39 -0.55 8.24 8.57 1a9xC1 VAL 2991 HA 0.04 0.21 0.76 -0.75 4.13 4.38 1a9xC1 VAL 2991 HB 0.09 0.11 -0.18 -0.04 2.12 2.09 1a9xC1 VAL 2991 HG13 0.02 0.09 -0.21 -0.04 0.97 0.83 1a9xC1 VAL 2991 HG23 0.10 0.01 -0.12 -0.04 0.95 0.90 1a9xC1 ASN 2992 H 0.04 0.33 0.15 -0.55 8.53 8.51 1a9xC1 ASN 2992 HA 0.01 0.15 1.04 -0.75 4.76 5.20 1a9xC1 ASN 2992 HB2 0.04 0.20 -0.02 -0.04 2.88 3.06 1a9xC1 ASN 2992 HB3 0.01 0.05 -0.09 -0.04 2.79 2.71 1a9xC1 ASN 2992 HD21 0.01 0.02 -0.21 -0.04 7.03 6.82 1a9xC1 ASN 2992 HD22 0.01 0.14 -0.37 -0.04 7.74 7.48 1a9xC1 LYS 2993 H -0.10 0.13 0.19 -0.55 8.42 8.08 1a9xC1 LYS 2993 HA -0.12 0.07 0.48 -0.75 4.32 4.00 1a9xC1 LYS 2993 HB2 -0.49 0.06 0.08 -0.04 1.87 1.47 1a9xC1 LYS 2993 HB3 -0.60 -0.05 0.11 -0.04 1.79 1.21 1a9xC1 LYS 2993 HG2 -0.11 0.03 0.09 -0.04 1.46 1.43 1a9xC1 LYS 2993 HG3 -0.09 -0.01 0.11 -0.04 1.46 1.43 1a9xC1 LYS 2993 HD2 -0.10 0.05 0.04 -0.04 1.69 1.64 1a9xC1 LYS 2993 HD3 0.02 0.04 0.04 -0.04 1.68 1.74 1a9xC1 LYS 2993 HE2 0.03 0.04 0.04 -0.04 2.99 3.06 1a9xC1 LYS 2993 HE3 -0.00 -0.04 0.07 -0.04 2.99 2.97 1a9xC1 VAL 2994 H -0.19 0.16 0.19 -0.55 8.24 7.84 1a9xC1 VAL 2994 HA -0.21 0.17 0.58 -0.75 4.13 3.91 1a9xC1 VAL 2994 HB -0.16 0.03 0.16 -0.04 2.12 2.11 1a9xC1 VAL 2994 HG13 -0.17 0.04 -0.06 -0.04 0.97 0.73 1a9xC1 VAL 2994 HG23 -0.71 -0.01 0.06 -0.04 0.95 0.25 1a9xC1 HIS 2995 H -0.17 0.04 -0.06 -0.55 8.41 7.68 1a9xC1 HIS 2995 HA 0.00 0.18 0.47 -0.75 4.63 4.53 1a9xC1 HIS 2995 HB2 -0.01 0.07 0.16 -0.04 3.26 3.44 1a9xC1 HIS 2995 HB3 -0.02 -0.00 0.11 -0.04 3.20 3.23 1a9xC1 HIS 2995 HD2 -0.03 0.02 0.05 -0.04 6.97 6.97 1a9xC1 HIS 2995 HE1 -0.04 0.00 -0.03 -0.04 7.75 7.64 1a9xC1 GLU 2996 H -0.08 0.27 -0.92 -0.55 8.60 7.33 1a9xC1 GLU 2996 HA 0.04 0.26 1.07 -0.75 4.29 4.92 1a9xC1 GLU 2996 HB2 -0.11 -0.08 0.02 -0.04 2.09 1.87 1a9xC1 GLU 2996 HB3 -0.02 0.06 -0.05 -0.04 1.99 1.94 1a9xC1 GLU 2996 HG2 0.01 0.09 0.03 -0.04 2.34 2.43 1a9xC1 GLU 2996 HG3 -0.19 -0.04 -0.23 -0.04 2.34 1.85 1a9xC1 GLY 2997 H 0.05 0.24 0.07 -0.55 8.43 8.24 1a9xC1 GLY 2997 HA2 0.03 0.03 0.24 -0.51 4.01 3.80 1a9xC1 GLY 2997 HA3 0.02 0.21 0.74 -0.51 4.01 4.46 1a9xC1 ARG 2998 H -0.02 0.22 0.15 -0.55 8.46 8.26 1a9xC1 ARG 2998 HA -0.13 0.14 1.07 -0.75 4.34 4.66 1a9xC1 ARG 2998 HB2 -0.08 0.04 0.00 -0.04 1.90 1.83 1a9xC1 ARG 2998 HB3 -0.20 -0.02 0.09 -0.04 1.80 1.63 1a9xC1 ARG 2998 HG2 -0.25 0.01 -0.18 -0.04 1.67 1.21 1a9xC1 ARG 2998 HG3 -0.02 -0.08 -0.34 -0.04 1.67 1.19 1a9xC1 ARG 2998 HD2 -0.01 0.01 -0.05 -0.04 3.22 3.13 1a9xC1 ARG 2998 HD3 -0.07 0.04 -0.03 -0.04 3.22 3.12 1a9xC1 PRO 2999 HA -0.30 0.01 0.46 -0.51 4.44 4.10 1a9xC1 PRO 2999 HB2 -0.10 0.06 -0.07 -0.04 2.28 2.14 1a9xC1 PRO 2999 HB3 -0.19 -0.00 0.11 -0.04 2.02 1.90 1a9xC1 PRO 2999 HG2 -0.06 0.07 0.06 -0.04 2.03 2.06 1a9xC1 PRO 2999 HG3 -0.08 0.06 0.03 -0.04 2.03 2.00 1a9xC1 PRO 2999 HD2 -0.05 0.16 0.39 -0.04 3.68 4.14 1a9xC1 PRO 2999 HD3 -0.07 0.10 -0.33 -0.04 3.65 3.30 1a9xC1 HIS 3000 H -0.74 0.04 0.21 -0.55 8.41 7.38 1a9xC1 HIS 3000 HA -0.01 0.23 0.97 -0.75 4.63 5.07 1a9xC1 HIS 3000 HB2 -0.04 -0.17 -0.10 -0.04 3.26 2.92 1a9xC1 HIS 3000 HB3 -0.03 0.39 -0.02 -0.04 3.20 3.50 1a9xC1 HIS 3000 HD2 -0.02 0.23 0.10 -0.04 6.97 7.24 1a9xC1 HIS 3000 HE1 -0.01 0.10 -0.02 -0.04 7.75 7.78 1a9xC1 ILE 3001 H 0.13 0.69 0.22 -0.55 8.25 8.74 1a9xC1 ILE 3001 HA 0.16 0.10 0.35 -0.75 4.18 4.03 1a9xC1 ILE 3001 HB 0.01 -0.01 0.22 -0.04 1.89 2.07 1a9xC1 ILE 3001 HG12 -0.04 0.04 -0.08 -0.04 1.49 1.37 1a9xC1 ILE 3001 HG13 0.03 0.06 -0.14 -0.04 1.21 1.12 1a9xC1 ILE 3001 HG23 -0.06 -0.04 -0.08 -0.04 0.93 0.71 1a9xC1 ILE 3001 HD13 -0.06 -0.04 -0.09 -0.04 0.88 0.66 1a9xC1 GLN 3002 H -0.00 0.06 -0.19 -0.55 8.47 7.80 1a9xC1 GLN 3002 HA 0.04 0.14 0.34 -0.75 4.36 4.11 1a9xC1 GLN 3002 HB2 -0.14 -0.07 0.05 -0.04 2.15 1.94 1a9xC1 GLN 3002 HB3 -0.09 0.01 0.02 -0.04 2.02 1.92 1a9xC1 GLN 3002 HG2 0.04 0.05 0.06 -0.04 2.40 2.51 1a9xC1 GLN 3002 HG3 -0.01 0.01 -0.00 -0.04 2.39 2.34 1a9xC1 GLN 3002 HE21 0.12 0.05 -0.04 -0.04 6.97 7.05 1a9xC1 GLN 3002 HE22 0.16 0.05 -0.01 -0.04 7.69 7.85 1a9xC1 ASP 3003 H 0.54 0.05 -0.24 -0.55 8.40 8.21 1a9xC1 ASP 3003 HA 0.01 0.10 0.43 -0.75 4.63 4.41 1a9xC1 ASP 3003 HB2 -0.09 0.15 0.15 -0.04 2.71 2.87 1a9xC1 ASP 3003 HB3 -0.09 0.07 -0.01 -0.04 2.70 2.63 1a9xC1 ARG 3004 H 0.09 0.45 -0.16 -0.55 8.46 8.29 1a9xC1 ARG 3004 HA -0.09 0.09 0.44 -0.75 4.34 4.02 1a9xC1 ARG 3004 HB2 0.21 0.00 -0.00 -0.04 1.90 2.07 1a9xC1 ARG 3004 HB3 -0.26 0.00 -0.05 -0.04 1.80 1.45 1a9xC1 ARG 3004 HG2 -0.05 0.00 -0.12 -0.04 1.67 1.46 1a9xC1 ARG 3004 HG3 0.04 0.00 -0.24 -0.04 1.67 1.43 1a9xC1 ARG 3004 HD2 0.11 0.00 -0.15 -0.04 3.22 3.14 1a9xC1 ARG 3004 HD3 -0.07 0.00 -0.10 -0.04 3.22 3.01 1a9xC1 ILE 3005 H 0.11 0.67 -0.08 -0.55 8.25 8.40 1a9xC1 ILE 3005 HA 0.21 -0.01 0.35 -0.75 4.18 3.98 1a9xC1 ILE 3005 HB 0.03 -0.00 0.11 -0.04 1.89 1.99 1a9xC1 ILE 3005 HG12 0.12 0.03 -0.09 -0.04 1.49 1.51 1a9xC1 ILE 3005 HG13 0.24 -0.04 -0.03 -0.04 1.21 1.34 1a9xC1 ILE 3005 HG23 0.10 0.01 -0.34 -0.04 0.93 0.65 1a9xC1 ILE 3005 HD13 -0.02 -0.05 -0.16 -0.04 0.88 0.62 1a9xC1 LYS 3006 H -0.16 0.46 -0.14 -0.55 8.42 8.02 1a9xC1 LYS 3006 HA -1.43 0.10 0.41 -0.75 4.32 2.65 1a9xC1 LYS 3006 HB2 -0.69 -0.06 0.10 -0.04 1.87 1.18 1a9xC1 LYS 3006 HB3 -0.21 0.25 0.23 -0.04 1.79 2.02 1a9xC1 LYS 3006 HG2 -0.17 0.06 -0.16 -0.04 1.46 1.14 1a9xC1 LYS 3006 HG3 -0.29 0.02 -0.01 -0.04 1.46 1.13 1a9xC1 LYS 3006 HD2 0.02 -0.02 -0.03 -0.04 1.69 1.63 1a9xC1 LYS 3006 HD3 -0.01 -0.04 -0.03 -0.04 1.68 1.55 1a9xC1 LYS 3006 HE2 -0.03 -0.01 0.00 -0.04 2.99 2.91 1a9xC1 LYS 3006 HE3 -0.02 0.01 -0.03 -0.04 2.99 2.91 1a9xC1 ASN 3007 H -0.15 0.34 -0.36 -0.55 8.53 7.81 1a9xC1 ASN 3007 HA -0.11 0.06 0.52 -0.75 4.76 4.47 1a9xC1 ASN 3007 HB2 -0.11 0.00 0.12 -0.04 2.88 2.85 1a9xC1 ASN 3007 HB3 -0.08 0.00 0.10 -0.04 2.79 2.77 1a9xC1 ASN 3007 HD21 -0.06 -0.09 -0.02 -0.04 7.03 6.82 1a9xC1 ASN 3007 HD22 -0.07 -0.03 -0.02 -0.04 7.74 7.58 1a9xC1 GLY 3008 H -0.12 0.38 -0.36 -0.55 8.43 7.78 1a9xC1 GLY 3008 HA2 -0.01 0.12 0.35 -0.51 4.01 3.96 1a9xC1 GLY 3008 HA3 -0.02 0.14 0.74 -0.51 4.01 4.36 1a9xC1 GLU 3009 H -0.19 0.37 0.04 -0.55 8.60 8.27 1a9xC1 GLU 3009 HA -0.19 0.06 0.31 -0.75 4.29 3.73 1a9xC1 GLU 3009 HB2 -0.60 0.00 0.00 -0.04 2.09 1.46 1a9xC1 GLU 3009 HB3 -0.78 0.00 -0.12 -0.04 1.99 1.04 1a9xC1 GLU 3009 HG2 -0.17 0.00 -0.03 -0.04 2.34 2.09 1a9xC1 GLU 3009 HG3 -0.19 0.00 0.02 -0.04 2.34 2.13 1a9xC1 TYR 3010 H -0.07 0.11 -0.25 -0.55 8.29 7.54 1a9xC1 TYR 3010 HA 0.09 0.32 1.26 -0.75 4.56 5.46 1a9xC1 TYR 3010 HB2 0.04 -0.01 -0.11 -0.04 3.06 2.94 1a9xC1 TYR 3010 HB3 0.07 0.01 0.08 -0.04 2.98 3.10 1a9xC1 TYR 3010 HD2 0.03 0.10 -0.32 -0.04 7.15 6.92 1a9xC1 TYR 3010 HE2 0.01 -0.03 -0.23 -0.04 6.85 6.56 1a9xC1 THR 3011 H 0.33 0.53 0.37 -0.55 8.28 8.96 1a9xC1 THR 3011 HA 0.18 0.29 1.01 -0.75 4.39 5.11 1a9xC1 THR 3011 HB 0.08 -0.03 0.21 -0.04 4.32 4.53 1a9xC1 THR 3011 HG23 0.05 -0.00 -0.09 -0.04 1.22 1.14 1a9xC1 TYR 3012 H 0.32 0.12 0.22 -0.55 8.29 8.40 1a9xC1 TYR 3012 HA 0.15 0.34 0.57 -0.75 4.56 4.87 1a9xC1 TYR 3012 HB2 0.06 0.17 -0.19 -0.04 3.06 3.05 1a9xC1 TYR 3012 HB3 -0.04 -0.08 -0.11 -0.04 2.98 2.71 1a9xC1 TYR 3012 HD2 0.01 0.04 -0.11 -0.04 7.15 7.05 1a9xC1 TYR 3012 HE2 0.07 -0.07 -0.20 -0.04 6.85 6.61 1a9xC1 ILE 3013 H -0.59 0.60 0.30 -0.55 8.25 8.02 1a9xC1 ILE 3013 HA -0.42 0.16 1.16 -0.75 4.18 4.33 1a9xC1 ILE 3013 HB -0.13 0.07 0.01 -0.04 1.89 1.80 1a9xC1 ILE 3013 HG12 -0.39 -0.08 -0.09 -0.04 1.49 0.90 1a9xC1 ILE 3013 HG13 -0.13 -0.00 -0.70 -0.04 1.21 0.33 1a9xC1 ILE 3013 HG23 -0.22 -0.04 -0.24 -0.04 0.93 0.40 1a9xC1 ILE 3013 HD13 -0.05 0.03 -0.18 -0.04 0.88 0.64 1a9xC1 ILE 3014 H -0.33 0.87 0.32 -0.55 8.25 8.56 1a9xC1 ILE 3014 HA -0.20 0.17 0.96 -0.75 4.18 4.35 1a9xC1 ILE 3014 HB -0.12 0.04 0.01 -0.04 1.89 1.78 1a9xC1 ILE 3014 HG12 -0.07 -0.07 -0.15 -0.04 1.49 1.16 1a9xC1 ILE 3014 HG13 -0.07 0.04 -0.45 -0.04 1.21 0.69 1a9xC1 ILE 3014 HG23 -0.10 -0.01 -0.02 -0.04 0.93 0.76 1a9xC1 ILE 3014 HD13 -0.02 -0.04 -0.20 -0.04 0.88 0.58 1a9xC1 ASN 3015 H -0.05 0.60 0.14 -0.55 8.53 8.67 1a9xC1 ASN 3015 HA -0.07 0.47 1.07 -0.75 4.76 5.48 1a9xC1 ASN 3015 HB2 -0.11 -0.02 -0.20 -0.04 2.88 2.51 1a9xC1 ASN 3015 HB3 -0.05 0.05 0.07 -0.04 2.79 2.82 1a9xC1 ASN 3015 HD21 -0.06 -0.09 -0.11 -0.04 7.03 6.74 1a9xC1 ASN 3015 HD22 -0.06 0.17 0.06 -0.04 7.74 7.87 1a9xC1 THR 3016 H -0.03 0.43 0.36 -0.55 8.28 8.49 1a9xC1 THR 3016 HA 0.00 0.35 1.06 -0.75 4.39 5.05 1a9xC1 THR 3016 HB 0.02 0.06 0.06 -0.04 4.32 4.42 1a9xC1 THR 3016 HG23 0.00 0.01 -0.47 -0.04 1.22 0.72 1a9xC1 THR 3017 H -0.00 0.40 0.23 -0.55 8.28 8.36 1a9xC1 THR 3017 HA -0.03 0.10 0.81 -0.75 4.39 4.51 1a9xC1 THR 3017 HB -0.03 0.02 -0.23 -0.04 4.32 4.04 1a9xC1 THR 3017 HG23 -0.04 0.01 -0.34 -0.04 1.22 0.81 1a9xC1 SER 3018 H -0.08 0.25 0.14 -0.55 8.46 8.22 1a9xC1 SER 3018 HA -0.12 0.19 0.73 -0.75 4.49 4.54 1a9xC1 SER 3018 HB2 -0.12 -0.13 0.04 -0.04 3.95 3.70 1a9xC1 SER 3018 HB3 -0.37 0.03 0.01 -0.04 3.93 3.55 1a9xC1 GLY 3019 H -0.17 0.22 0.04 -0.55 8.43 7.98 1a9xC1 GLY 3019 HA2 -0.18 0.01 0.45 -0.51 4.01 3.78 1a9xC1 GLY 3019 HA3 -0.18 0.21 0.96 -0.51 4.01 4.50 1a9xC1 ARG 3020 H -0.00 0.18 0.19 -0.55 8.46 8.28 1a9xC1 ARG 3020 HA -0.00 0.12 0.36 -0.75 4.34 4.07 1a9xC1 ARG 3020 HB2 0.03 -0.03 0.22 -0.04 1.90 2.07 1a9xC1 ARG 3020 HB3 0.01 0.04 0.04 -0.04 1.80 1.85 1a9xC1 ARG 3020 HG2 0.03 0.08 0.06 -0.04 1.67 1.80 1a9xC1 ARG 3020 HG3 0.01 0.05 0.06 -0.04 1.67 1.75 1a9xC1 ARG 3020 HD2 0.01 -0.16 0.08 -0.04 3.22 3.12 1a9xC1 ARG 3020 HD3 0.02 0.09 0.07 -0.04 3.22 3.36 1a9xC1 ARG 3021 H -0.03 0.03 -0.18 -0.55 8.46 7.74 1a9xC1 ARG 3021 HA -0.02 0.19 0.58 -0.75 4.34 4.34 1a9xC1 ARG 3021 HB2 -0.02 -0.03 0.10 -0.04 1.90 1.90 1a9xC1 ARG 3021 HB3 -0.03 0.03 -0.02 -0.04 1.80 1.74 1a9xC1 ARG 3021 HG2 -0.02 0.01 0.09 -0.04 1.67 1.71 1a9xC1 ARG 3021 HG3 -0.02 0.03 0.01 -0.04 1.67 1.66 1a9xC1 ARG 3021 HD2 -0.03 -0.01 -0.01 -0.04 3.22 3.13 1a9xC1 ARG 3021 HD3 -0.04 -0.01 -0.04 -0.04 3.22 3.10 1a9xC1 ALA 3022 H -0.05 0.07 -0.07 -0.55 8.40 7.80 1a9xC1 ALA 3022 HA -0.03 0.04 0.37 -0.75 4.34 3.97 1a9xC1 ALA 3022 HB3 -0.06 0.03 0.06 -0.04 1.41 1.40 1a9xC1 ILE 3023 H -0.04 0.57 -0.31 -0.55 8.25 7.92 1a9xC1 ILE 3023 HA -0.03 0.00 0.23 -0.75 4.18 3.63 1a9xC1 ILE 3023 HB -0.02 0.12 0.01 -0.04 1.89 1.96 1a9xC1 ILE 3023 HG12 -0.02 0.03 -0.13 -0.04 1.49 1.33 1a9xC1 ILE 3023 HG13 -0.04 -0.10 -0.22 -0.04 1.21 0.81 1a9xC1 ILE 3023 HG23 -0.02 0.02 -0.27 -0.04 0.93 0.62 1a9xC1 ILE 3023 HD13 -0.01 -0.02 -0.21 -0.04 0.88 0.60 1a9xC1 GLU 3024 H -0.02 0.41 -0.12 -0.55 8.60 8.33 1a9xC1 GLU 3024 HA -0.02 0.04 0.39 -0.75 4.29 3.95 1a9xC1 GLU 3024 HB2 -0.02 0.01 0.16 -0.04 2.09 2.20 1a9xC1 GLU 3024 HB3 -0.01 -0.01 0.08 -0.04 1.99 2.01 1a9xC1 GLU 3024 HG2 -0.01 -0.01 0.07 -0.04 2.34 2.35 1a9xC1 GLU 3024 HG3 -0.01 0.24 0.20 -0.04 2.34 2.73 1a9xC1 ASP 3025 H -0.02 0.84 -0.10 -0.55 8.40 8.57 1a9xC1 ASP 3025 HA -0.01 0.05 0.45 -0.75 4.63 4.36 1a9xC1 ASP 3025 HB2 -0.02 0.02 0.13 -0.04 2.71 2.80 1a9xC1 ASP 3025 HB3 0.00 -0.10 0.07 -0.04 2.70 2.64 1a9xC1 SER 3026 H -0.03 0.58 -0.22 -0.55 8.46 8.25 1a9xC1 SER 3026 HA -0.03 -0.02 0.56 -0.75 4.49 4.24 1a9xC1 SER 3026 HB2 -0.05 -0.08 0.00 -0.04 3.95 3.79 1a9xC1 SER 3026 HB3 -0.03 -0.08 0.02 -0.04 3.93 3.79 1a9xC1 ARG 3027 H -0.04 0.47 -0.39 -0.55 8.46 7.95 1a9xC1 ARG 3027 HA -0.06 -0.02 0.35 -0.75 4.34 3.86 1a9xC1 ARG 3027 HB2 -0.03 0.29 0.24 -0.04 1.90 2.36 1a9xC1 ARG 3027 HB3 -0.03 -0.02 0.06 -0.04 1.80 1.77 1a9xC1 ARG 3027 HG2 -0.05 -0.07 0.05 -0.04 1.67 1.56 1a9xC1 ARG 3027 HG3 -0.03 -0.02 0.05 -0.04 1.67 1.62 1a9xC1 ARG 3027 HD2 -0.02 0.01 -0.00 -0.04 3.22 3.17 1a9xC1 ARG 3027 HD3 -0.03 -0.03 -0.12 -0.04 3.22 3.00 1a9xC1 VAL 3028 H -0.05 0.19 -0.33 -0.55 8.24 7.50 1a9xC1 VAL 3028 HA -0.05 0.12 0.41 -0.75 4.13 3.85 1a9xC1 VAL 3028 HB -0.05 0.07 0.07 -0.04 2.12 2.17 1a9xC1 VAL 3028 HG13 -0.06 -0.00 0.05 -0.04 0.97 0.92 1a9xC1 VAL 3028 HG23 -0.07 -0.01 -0.15 -0.04 0.95 0.68 1a9xC1 ILE 3029 H -0.08 0.44 -0.10 -0.55 8.25 7.96 1a9xC1 ILE 3029 HA -0.09 0.05 0.42 -0.75 4.18 3.81 1a9xC1 ILE 3029 HB -0.11 0.13 0.11 -0.04 1.89 1.97 1a9xC1 ILE 3029 HG12 -0.09 -0.06 -0.03 -0.04 1.49 1.28 1a9xC1 ILE 3029 HG13 -0.08 -0.07 0.06 -0.04 1.21 1.08 1a9xC1 ILE 3029 HG23 -0.15 0.01 -0.20 -0.04 0.93 0.54 1a9xC1 ILE 3029 HD13 -0.08 0.00 0.01 -0.04 0.88 0.77 1a9xC1 ARG 3030 H -0.16 0.25 -0.13 -0.55 8.46 7.87 1a9xC1 ARG 3030 HA -0.57 0.07 0.39 -0.75 4.34 3.48 1a9xC1 ARG 3030 HB2 -0.17 0.06 0.06 -0.04 1.90 1.82 1a9xC1 ARG 3030 HB3 -0.26 0.10 -0.07 -0.04 1.80 1.53 1a9xC1 ARG 3030 HG2 -0.21 0.03 -0.04 -0.04 1.67 1.42 1a9xC1 ARG 3030 HG3 -0.15 -0.09 -0.05 -0.04 1.67 1.34 1a9xC1 ARG 3030 HD2 -0.04 0.10 -0.19 -0.04 3.22 3.04 1a9xC1 ARG 3030 HD3 -0.02 -0.02 -0.07 -0.04 3.22 3.06 1a9xC1 ARG 3031 H -0.13 0.53 -0.05 -0.55 8.46 8.26 1a9xC1 ARG 3031 HA -0.11 0.11 0.38 -0.75 4.34 3.97 1a9xC1 ARG 3031 HB2 -0.05 -0.08 0.06 -0.04 1.90 1.79 1a9xC1 ARG 3031 HB3 -0.04 0.05 0.05 -0.04 1.80 1.82 1a9xC1 ARG 3031 HG2 -0.07 0.04 0.02 -0.04 1.67 1.62 1a9xC1 ARG 3031 HG3 -0.07 0.20 0.04 -0.04 1.67 1.80 1a9xC1 ARG 3031 HD2 -0.02 0.05 -0.28 -0.04 3.22 2.92 1a9xC1 ARG 3031 HD3 -0.02 -0.13 -0.13 -0.04 3.22 2.90 1a9xC1 SER 3032 H -0.06 0.53 -0.25 -0.55 8.46 8.13 1a9xC1 SER 3032 HA 0.09 0.04 0.34 -0.75 4.49 4.20 1a9xC1 SER 3032 HB2 0.01 0.02 0.08 -0.04 3.95 4.02 1a9xC1 SER 3032 HB3 0.17 -0.03 -0.01 -0.04 3.93 4.03 1a9xC1 ALA 3033 H -0.17 0.48 -0.25 -0.55 8.40 7.92 1a9xC1 ALA 3033 HA 0.00 -0.00 0.37 -0.75 4.34 3.95 1a9xC1 ALA 3033 HB3 -0.42 0.03 0.05 -0.04 1.41 1.03 1a9xC1 LEU 3034 H -0.23 0.58 -0.08 -0.55 8.37 8.09 1a9xC1 LEU 3034 HA 0.11 0.00 0.35 -0.75 4.35 4.06 1a9xC1 LEU 3034 HB2 -0.05 0.02 0.13 -0.04 1.64 1.70 1a9xC1 LEU 3034 HB3 -0.04 0.12 0.16 -0.04 1.64 1.84 1a9xC1 LEU 3034 HG 0.05 0.04 -0.18 -0.04 1.64 1.51 1a9xC1 LEU 3034 HD13 0.21 -0.03 -0.01 -0.04 0.93 1.06 1a9xC1 LEU 3034 HD23 0.13 -0.04 -0.14 -0.04 0.89 0.80 1a9xC1 GLN 3035 H -0.07 0.48 -0.06 -0.55 8.47 8.26 1a9xC1 GLN 3035 HA -0.15 0.02 0.36 -0.75 4.36 3.84 1a9xC1 GLN 3035 HB2 -0.16 -0.02 0.10 -0.04 2.15 2.04 1a9xC1 GLN 3035 HB3 -0.23 0.03 0.09 -0.04 2.02 1.87 1a9xC1 GLN 3035 HG2 -1.06 0.08 -0.31 -0.04 2.40 1.07 1a9xC1 GLN 3035 HG3 -0.33 -0.02 0.05 -0.04 2.39 2.05 1a9xC1 GLN 3035 HE21 -0.08 -0.09 -0.03 -0.04 6.97 6.73 1a9xC1 GLN 3035 HE22 -0.30 0.03 -0.04 -0.04 7.69 7.34 1a9xC1 TYR 3036 H 0.04 0.44 -0.36 -0.55 8.29 7.86 1a9xC1 TYR 3036 HA 0.03 0.19 0.94 -0.75 4.56 4.95 1a9xC1 TYR 3036 HB2 0.03 -0.04 0.00 -0.04 3.06 3.01 1a9xC1 TYR 3036 HB3 0.04 0.04 0.12 -0.04 2.98 3.14 1a9xC1 TYR 3036 HD2 0.01 0.12 0.02 -0.04 7.15 7.26 1a9xC1 TYR 3036 HE2 0.01 -0.08 -0.01 -0.04 6.85 6.73 1a9xC1 LYS 3037 H 0.06 0.34 -0.30 -0.55 8.42 7.96 1a9xC1 LYS 3037 HA 0.10 -0.01 0.28 -0.75 4.32 3.93 1a9xC1 LYS 3037 HB2 0.10 0.10 0.26 -0.04 1.87 2.29 1a9xC1 LYS 3037 HB3 0.08 -0.10 0.16 -0.04 1.79 1.89 1a9xC1 LYS 3037 HG2 0.04 -0.04 -0.82 -0.04 1.46 0.60 1a9xC1 LYS 3037 HG3 0.05 -0.02 -0.12 -0.04 1.46 1.33 1a9xC1 LYS 3037 HD2 0.03 -0.08 -0.01 -0.04 1.69 1.60 1a9xC1 LYS 3037 HD3 0.02 0.13 -0.02 -0.04 1.68 1.77 1a9xC1 LYS 3037 HE2 -0.03 -0.10 -0.01 -0.04 2.99 2.82 1a9xC1 LYS 3037 HE3 -0.04 0.12 -0.02 -0.04 2.99 3.01 1a9xC1 VAL 3038 H 0.14 0.46 -0.14 -0.55 8.24 8.15 1a9xC1 VAL 3038 HA 0.18 0.20 0.60 -0.75 4.13 4.35 1a9xC1 VAL 3038 HB 0.11 -0.14 0.00 -0.04 2.12 2.06 1a9xC1 VAL 3038 HG13 0.17 0.01 -0.45 -0.04 0.97 0.66 1a9xC1 VAL 3038 HG23 0.17 0.03 -0.16 -0.04 0.95 0.95 1a9xC1 HIS 3039 H 0.28 0.32 -0.02 -0.55 8.41 8.44 1a9xC1 HIS 3039 HA 0.16 0.00 0.37 -0.75 4.63 4.40 1a9xC1 HIS 3039 HB2 0.12 -0.11 -0.07 -0.04 3.26 3.15 1a9xC1 HIS 3039 HB3 0.22 0.13 0.09 -0.04 3.20 3.59 1a9xC1 HIS 3039 HD2 0.55 -0.08 -0.38 -0.04 6.97 7.01 1a9xC1 HIS 3039 HE1 0.00 -0.00 -0.01 -0.04 7.75 7.70 1a9xC1 TYR 3040 H -0.59 0.19 0.22 -0.55 8.29 7.56 1a9xC1 TYR 3040 HA -0.24 0.25 1.05 -0.75 4.56 4.86 1a9xC1 TYR 3040 HB2 -0.18 -0.06 0.04 -0.04 3.06 2.82 1a9xC1 TYR 3040 HB3 -0.14 0.12 -0.24 -0.04 2.98 2.68 1a9xC1 TYR 3040 HD2 -0.10 0.12 -0.15 -0.04 7.15 6.98 1a9xC1 TYR 3040 HE2 -0.06 0.04 -0.01 -0.04 6.85 6.77 1a9xC1 ASP 3041 H -0.09 0.57 0.41 -0.55 8.40 8.75 1a9xC1 ASP 3041 HA -0.09 0.19 0.98 -0.75 4.63 4.96 1a9xC1 ASP 3041 HB2 0.08 0.00 0.11 -0.04 2.71 2.86 1a9xC1 ASP 3041 HB3 0.08 -0.14 0.03 -0.04 2.70 2.63 1a9xC1 THR 3042 H 0.00 0.12 0.20 -0.55 8.28 8.05 1a9xC1 THR 3042 HA 0.04 0.47 1.08 -0.75 4.39 5.22 1a9xC1 THR 3042 HB 0.06 0.04 0.27 -0.04 4.32 4.64 1a9xC1 THR 3042 HG23 0.18 0.06 -0.16 -0.04 1.22 1.25 1a9xC1 THR 3043 H 0.05 0.14 0.08 -0.55 8.28 8.01 1a9xC1 THR 3043 HA 0.06 0.30 0.94 -0.75 4.39 4.94 1a9xC1 THR 3043 HB 0.09 -0.03 0.16 -0.04 4.32 4.50 1a9xC1 THR 3043 HG23 0.08 0.06 -0.12 -0.04 1.22 1.19 1a9xC1 LEU 3044 H 0.07 0.21 0.11 -0.55 8.37 8.22 1a9xC1 LEU 3044 HA -0.00 0.15 0.41 -0.75 4.35 4.16 1a9xC1 LEU 3044 HB2 0.09 -0.02 0.11 -0.04 1.64 1.78 1a9xC1 LEU 3044 HB3 0.20 0.09 -0.02 -0.04 1.64 1.87 1a9xC1 LEU 3044 HG 0.05 0.08 -0.10 -0.04 1.64 1.63 1a9xC1 LEU 3044 HD13 -0.08 -0.00 -0.08 -0.04 0.93 0.73 1a9xC1 LEU 3044 HD23 0.10 0.01 -0.05 -0.04 0.89 0.90 1a9xC1 ASN 3045 H 0.13 0.11 -0.02 -0.55 8.53 8.21 1a9xC1 ASN 3045 HA 0.26 0.13 0.29 -0.75 4.76 4.68 1a9xC1 ASN 3045 HB2 0.13 -0.15 -0.07 -0.04 2.88 2.75 1a9xC1 ASN 3045 HB3 0.15 0.15 -0.11 -0.04 2.79 2.94 1a9xC1 ASN 3045 HD21 0.06 -0.01 0.01 -0.04 7.03 7.05 1a9xC1 ASN 3045 HD22 0.11 0.54 0.09 -0.04 7.74 8.44 1a9xC1 GLY 3046 H 0.10 -0.04 -0.68 -0.55 8.43 7.27 1a9xC1 GLY 3046 HA2 0.11 0.10 0.39 -0.51 4.01 4.10 1a9xC1 GLY 3046 HA3 0.11 0.00 0.24 -0.51 4.01 3.86 1a9xC1 GLY 3047 H 0.05 0.31 -0.11 -0.55 8.43 8.13 1a9xC1 GLY 3047 HA2 0.12 0.08 0.40 -0.51 4.01 4.11 1a9xC1 GLY 3047 HA3 -0.05 0.03 0.28 -0.51 4.01 3.77 1a9xC1 PHE 3048 H 0.04 0.56 -0.13 -0.55 8.34 8.25 1a9xC1 PHE 3048 HA -0.02 0.05 0.34 -0.75 4.62 4.24 1a9xC1 PHE 3048 HB2 0.00 0.01 0.06 -0.04 3.15 3.18 1a9xC1 PHE 3048 HB3 -0.01 0.02 -0.04 -0.04 3.06 2.99 1a9xC1 PHE 3048 HD2 0.00 -0.02 -0.13 -0.04 7.28 7.09 1a9xC1 PHE 3048 HE2 0.00 -0.04 -0.17 -0.04 7.38 7.14 1a9xC1 PHE 3048 HZ 0.00 0.19 0.05 -0.04 7.32 7.52 1a9xC1 ALA 3049 H 0.00 0.33 -0.42 -0.55 8.40 7.77 1a9xC1 ALA 3049 HA -0.17 0.01 0.37 -0.75 4.34 3.79 1a9xC1 ALA 3049 HB3 -0.96 0.01 0.06 -0.04 1.41 0.48 1a9xC1 THR 3050 H -0.05 0.44 -0.17 -0.55 8.28 7.96 1a9xC1 THR 3050 HA 0.11 0.04 0.37 -0.75 4.39 4.16 1a9xC1 THR 3050 HB -0.02 0.01 0.18 -0.04 4.32 4.45 1a9xC1 THR 3050 HG23 -0.39 0.01 -0.16 -0.04 1.22 0.63 1a9xC1 ALA 3051 H -0.10 0.59 -0.16 -0.55 8.40 8.19 1a9xC1 ALA 3051 HA -0.13 0.06 0.25 -0.75 4.34 3.76 1a9xC1 ALA 3051 HB3 -0.03 0.01 0.01 -0.04 1.41 1.35 1a9xC1 MET 3052 H 0.01 0.48 -0.17 -0.55 8.47 8.25 1a9xC1 MET 3052 HA 0.04 0.02 0.33 -0.75 4.52 4.15 1a9xC1 MET 3052 HB2 0.03 0.06 -0.01 -0.04 2.15 2.18 1a9xC1 MET 3052 HB3 0.10 -0.13 -0.02 -0.04 2.03 1.94 1a9xC1 MET 3052 HG2 0.08 0.14 0.15 -0.04 2.63 2.96 1a9xC1 MET 3052 HG3 0.09 -0.07 0.07 -0.04 2.56 2.60 1a9xC1 MET 3052 HE3 0.04 -0.02 -0.13 -0.04 2.10 1.94 1a9xC1 ALA 3053 H -0.01 0.53 -0.22 -0.55 8.40 8.15 1a9xC1 ALA 3053 HA -0.00 -0.05 0.41 -0.75 4.34 3.94 1a9xC1 ALA 3053 HB3 0.10 0.02 0.01 -0.04 1.41 1.51 1a9xC1 LEU 3054 H -0.02 0.39 -0.45 -0.55 8.37 7.74 1a9xC1 LEU 3054 HA -0.01 0.01 0.35 -0.75 4.35 3.94 1a9xC1 LEU 3054 HB2 -0.00 0.27 0.15 -0.04 1.64 2.01 1a9xC1 LEU 3054 HB3 0.04 -0.01 0.04 -0.04 1.64 1.67 1a9xC1 LEU 3054 HG -0.10 0.06 -0.04 -0.04 1.64 1.51 1a9xC1 LEU 3054 HD13 -0.10 -0.04 -0.04 -0.04 0.93 0.71 1a9xC1 LEU 3054 HD23 0.04 0.01 -0.02 -0.04 0.89 0.89 1a9xC1 ASN 3055 H 0.01 0.42 -0.37 -0.55 8.53 8.04 1a9xC1 ASN 3055 HA 0.01 0.12 0.56 -0.75 4.76 4.70 1a9xC1 ASN 3055 HB2 0.02 0.03 0.06 -0.04 2.88 2.95 1a9xC1 ASN 3055 HB3 0.01 -0.09 0.06 -0.04 2.79 2.73 1a9xC1 ASN 3055 HD21 0.03 -0.01 -0.06 -0.04 7.03 6.94 1a9xC1 ASN 3055 HD22 0.02 0.05 -0.02 -0.04 7.74 7.76 1a9xC1 ALA 3056 H -0.01 0.41 -0.29 -0.55 8.40 7.97 1a9xC1 ALA 3056 HA -0.01 0.14 0.87 -0.75 4.34 4.58 1a9xC1 ALA 3056 HB3 -0.02 -0.03 -0.11 -0.04 1.41 1.20 1a9xC1 ASP 3057 H -0.03 0.15 0.10 -0.55 8.40 8.07 1a9xC1 ASP 3057 HA -0.06 0.27 0.95 -0.75 4.63 5.03 1a9xC1 ASP 3057 HB2 -0.04 0.15 0.00 -0.04 2.71 2.78 1a9xC1 ASP 3057 HB3 -0.04 -0.03 0.15 -0.04 2.70 2.74 1a9xC1 ALA 3058 H -0.09 0.27 0.04 -0.55 8.40 8.07 1a9xC1 ALA 3058 HA -0.08 0.11 0.45 -0.75 4.34 4.07 1a9xC1 ALA 3058 HB3 -0.12 0.01 -0.03 -0.04 1.41 1.24 1a9xC1 THR 3059 H -0.13 0.06 -0.17 -0.55 8.28 7.49 1a9xC1 THR 3059 HA -0.14 0.16 0.49 -0.75 4.39 4.13 1a9xC1 THR 3059 HB -0.21 0.02 -0.07 -0.04 4.32 4.02 1a9xC1 THR 3059 HG23 -0.27 -0.02 -0.05 -0.04 1.22 0.84 1a9xC1 GLU 3060 H -0.08 0.19 -0.50 -0.55 8.60 7.66 1a9xC1 GLU 3060 HA -0.06 0.08 0.46 -0.75 4.29 4.01 1a9xC1 GLU 3060 HB2 -0.05 -0.08 0.10 -0.04 2.09 2.03 1a9xC1 GLU 3060 HB3 -0.04 0.02 0.17 -0.04 1.99 2.10 1a9xC1 GLU 3060 HG2 -0.02 0.03 -0.14 -0.04 2.34 2.16 1a9xC1 GLU 3060 HG3 -0.03 -0.01 0.02 -0.04 2.34 2.28 1a9xC1 LYS 3061 H -0.05 0.15 0.00 -0.55 8.42 7.98 1a9xC1 LYS 3061 HA -0.04 0.22 0.96 -0.75 4.32 4.71 1a9xC1 LYS 3061 HB2 -0.02 0.03 -0.04 -0.04 1.87 1.80 1a9xC1 LYS 3061 HB3 -0.02 -0.08 0.09 -0.04 1.79 1.74 1a9xC1 LYS 3061 HG2 -0.01 -0.03 -0.36 -0.04 1.46 1.01 1a9xC1 LYS 3061 HG3 -0.01 0.10 -0.17 -0.04 1.46 1.34 1a9xC1 LYS 3061 HD2 0.00 -0.03 -0.04 -0.04 1.69 1.59 1a9xC1 LYS 3061 HD3 0.01 -0.08 -0.08 -0.04 1.68 1.48 1a9xC1 LYS 3061 HE2 0.00 0.08 -0.05 -0.04 2.99 2.99 1a9xC1 LYS 3061 HE3 0.01 -0.01 -0.04 -0.04 2.99 2.91 1a9xC1 VAL 3062 H -0.04 0.26 0.14 -0.55 8.24 8.05 1a9xC1 VAL 3062 HA -0.03 0.17 0.90 -0.75 4.13 4.43 1a9xC1 VAL 3062 HB -0.15 -0.03 -0.00 -0.04 2.12 1.90 1a9xC1 VAL 3062 HG13 -0.14 0.04 -0.24 -0.04 0.97 0.59 1a9xC1 VAL 3062 HG23 -0.24 -0.00 -0.22 -0.04 0.95 0.44 1a9xC1 ILE 3063 H 0.10 0.26 0.14 -0.55 8.25 8.21 1a9xC1 ILE 3063 HA 0.14 0.19 0.84 -0.75 4.18 4.60 1a9xC1 ILE 3063 HB -0.01 0.03 -0.22 -0.04 1.89 1.64 1a9xC1 ILE 3063 HG12 -0.10 0.16 0.07 -0.04 1.49 1.58 1a9xC1 ILE 3063 HG13 -0.02 -0.00 0.10 -0.04 1.21 1.25 1a9xC1 ILE 3063 HG23 -0.11 0.01 -0.15 -0.04 0.93 0.64 1a9xC1 ILE 3063 HD13 -0.08 0.00 -0.17 -0.04 0.88 0.60 1a9xC1 SER 3064 H -0.09 0.11 0.14 -0.55 8.46 8.08 1a9xC1 SER 3064 HA -0.72 0.35 0.79 -0.75 4.49 4.15 1a9xC1 SER 3064 HB2 -0.72 -0.10 0.10 -0.04 3.95 3.20 1a9xC1 SER 3064 HB3 -0.84 0.10 -0.04 -0.04 3.93 3.11 1a9xC1 VAL 3065 H -0.32 0.62 0.41 -0.55 8.24 8.39 1a9xC1 VAL 3065 HA -0.34 0.12 0.56 -0.75 4.13 3.71 1a9xC1 VAL 3065 HB -0.20 -0.03 0.14 -0.04 2.12 1.98 1a9xC1 VAL 3065 HG13 -0.43 0.04 0.03 -0.04 0.97 0.57 1a9xC1 VAL 3065 HG23 -0.16 0.09 0.01 -0.04 0.95 0.85 1a9xC1 GLN 3066 H -0.20 0.02 0.03 -0.55 8.47 7.77 1a9xC1 GLN 3066 HA -0.06 0.13 0.46 -0.75 4.36 4.14 1a9xC1 GLN 3066 HB2 -0.11 -0.09 0.21 -0.04 2.15 2.11 1a9xC1 GLN 3066 HB3 -0.05 0.09 0.11 -0.04 2.02 2.13 1a9xC1 GLN 3066 HG2 -0.04 0.22 0.11 -0.04 2.40 2.64 1a9xC1 GLN 3066 HG3 -0.05 -0.05 0.06 -0.04 2.39 2.31 1a9xC1 GLN 3066 HE21 -0.08 -0.22 -0.24 -0.04 6.97 6.39 1a9xC1 GLN 3066 HE22 -0.04 0.78 0.14 -0.04 7.69 8.53 1a9xC1 GLU 3067 H -0.13 -0.03 -0.28 -0.55 8.60 7.61 1a9xC1 GLU 3067 HA -0.03 0.09 0.27 -0.75 4.29 3.87 1a9xC1 GLU 3067 HB2 -0.09 -0.05 0.13 -0.04 2.09 2.04 1a9xC1 GLU 3067 HB3 -0.03 0.06 0.01 -0.04 1.99 1.99 1a9xC1 GLU 3067 HG2 -0.02 0.08 0.03 -0.04 2.34 2.38 1a9xC1 GLU 3067 HG3 -0.06 -0.06 0.05 -0.04 2.34 2.22 1a9xC1 MET 3068 H -0.17 0.43 -0.11 -0.55 8.47 8.07 1a9xC1 MET 3068 HA -0.03 0.01 0.36 -0.75 4.52 4.11 1a9xC1 MET 3068 HB2 -0.23 0.11 -0.01 -0.04 2.15 1.98 1a9xC1 MET 3068 HB3 -0.61 -0.03 0.00 -0.04 2.03 1.35 1a9xC1 MET 3068 HG2 -0.34 -0.11 -0.04 -0.04 2.63 2.10 1a9xC1 MET 3068 HG3 -0.27 0.40 0.24 -0.04 2.56 2.89 1a9xC1 MET 3068 HE3 -0.41 0.01 -0.06 -0.04 2.10 1.60 1a9xC1 HIS 3069 H -0.08 0.61 -0.13 -0.55 8.41 8.27 1a9xC1 HIS 3069 HA 0.07 0.07 0.45 -0.75 4.63 4.47 1a9xC1 HIS 3069 HB2 -0.00 0.10 0.18 -0.04 3.26 3.50 1a9xC1 HIS 3069 HB3 0.02 -0.02 0.06 -0.04 3.20 3.21 1a9xC1 HIS 3069 HD2 0.11 0.01 -0.21 -0.04 6.97 6.83 1a9xC1 HIS 3069 HE1 0.02 -0.11 0.08 -0.04 7.75 7.69 1a9xC1 ALA 3070 H 0.08 0.42 -0.14 -0.55 8.40 8.20 1a9xC1 ALA 3070 HA 0.05 0.05 0.45 -0.75 4.34 4.14 1a9xC1 ALA 3070 HB3 0.03 -0.01 0.08 -0.04 1.41 1.47 1a9xC1 GLN 3071 H 0.10 0.32 -0.55 -0.55 8.47 7.80 1a9xC1 GLN 3071 HA 0.05 -0.02 0.43 -0.75 4.36 4.07 1a9xC1 GLN 3071 HB2 0.20 0.40 0.18 -0.04 2.15 2.89 1a9xC1 GLN 3071 HB3 0.13 -0.13 0.05 -0.04 2.02 2.03 1a9xC1 GLN 3071 HG2 0.06 -0.07 0.03 -0.04 2.40 2.38 1a9xC1 GLN 3071 HG3 0.06 0.18 0.04 -0.04 2.39 2.62 1a9xC1 GLN 3071 HE21 0.05 -0.07 -0.07 -0.04 6.97 6.83 1a9xC1 GLN 3071 HE22 0.03 -0.00 -0.07 -0.04 7.69 7.61 1a9xC1 ILE 3072 H 0.09 0.45 -0.42 -0.55 8.25 7.82 1a9xC1 ILE 3072 HA -0.01 -0.01 0.82 -0.75 4.18 4.22 1a9xC1 ILE 3072 HB 0.02 0.14 0.17 -0.04 1.89 2.18 1a9xC1 ILE 3072 HG12 -0.08 -0.10 0.04 -0.04 1.49 1.30 1a9xC1 ILE 3072 HG13 0.15 0.10 -0.01 -0.04 1.21 1.41 1a9xC1 ILE 3072 HG23 -0.05 -0.01 -0.08 -0.04 0.93 0.76 1a9xC1 ILE 3072 HD13 0.06 0.03 -0.04 -0.04 0.88 0.89 1a9xC1 LYS 3073 H -0.02 0.14 0.14 -0.55 8.42 8.12 1a9xC1 LYS 3073 HA -0.00 0.24 0.52 -0.75 4.32 4.32 1a9xC1 LYS 3073 HB2 -0.02 0.02 0.14 -0.04 1.87 1.98 1a9xC1 LYS 3073 HB3 -0.01 -0.05 0.09 -0.04 1.79 1.77 1a9xC1 LYS 3073 HG2 -0.01 -0.04 0.02 -0.04 1.46 1.40 1a9xC1 LYS 3073 HG3 -0.00 -0.05 0.01 -0.04 1.46 1.38 1a9xC1 LYS 3073 HD2 0.01 0.02 -0.68 -0.04 1.69 0.99 1a9xC1 LYS 3073 HD3 0.01 0.08 -0.09 -0.04 1.68 1.63 1a9xC1 LYS 3073 HE2 0.01 -0.09 -0.03 -0.04 2.99 2.83 1a9xC1 LYS 3073 HE3 0.00 -0.05 -0.04 -0.04 2.99 2.86