#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2du8 s ARG 2002N 0.00 3.49 -0.20 2.12 0.52 -1.26 -1.50 118.95 122.12 2du8 s ARG 2002Ca 0.00 -0.65 -0.03 0.00 -0.52 0.00 0.00 55.73 54.53 2du8 s ARG 2002Cb 0.00 -3.81 -0.01 0.00 0.52 0.00 0.00 34.95 31.65 2du8 s ARG 2002CO 0.00 -0.45 -0.06 0.08 0.02 0.00 0.00 175.30 174.89 2du8 s VAL 2003N 1.73 3.37 -0.24 3.52 1.01 0.48 -0.57 120.40 129.70 2du8 s VAL 2003Ca 0.06 -0.51 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 2du8 s VAL 2003Cb -0.17 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 2du8 s VAL 2003CO 0.11 0.45 0.04 -0.69 0.00 0.00 0.00 175.10 175.01 2du8 s VAL 2004N 1.15 4.10 -0.29 2.92 1.01 -0.59 -0.75 120.40 127.95 2du8 s VAL 2004Ca 0.02 -0.24 -0.09 0.00 0.00 0.00 0.00 61.98 61.67 2du8 s VAL 2004Cb -0.14 -2.91 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 2du8 s VAL 2004CO -0.01 0.36 0.13 -0.69 0.00 0.00 0.00 175.10 174.89 2du8 s VAL 2005N 1.52 4.49 -0.27 2.92 1.01 0.65 -1.04 120.40 129.67 2du8 s VAL 2005Ca 0.06 -0.37 -0.15 0.00 0.00 0.00 0.00 61.98 61.52 2du8 s VAL 2005Cb -0.15 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 2du8 s VAL 2005CO 0.02 0.14 0.40 -0.63 0.00 0.00 0.00 175.10 175.03 2du8 s ILE 2006N 1.61 5.15 0.00 2.22 1.01 -0.41 -0.02 121.20 130.76 2du8 s ILE 2006Ca 0.05 0.62 0.00 0.00 0.00 0.00 0.00 60.65 61.32 2du8 s ILE 2006Cb -0.17 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.58 2du8 s ILE 2006CO 0.05 0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.74 2du8 n GLY 2007N 4.64 3.60 0.81 6.18 0.00 0.76 -1.26 105.19 119.92 2du8 n GLY 2007Ca -0.08 -1.33 0.03 0.00 0.00 0.00 0.00 46.02 44.65 2du8 n GLY 2007CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2du8 n ALA 2008N 0.48 3.68 -1.31 4.61 0.00 -1.26 -4.20 120.51 122.51 2du8 n ALA 2008Ca 0.00 -3.27 -0.07 0.00 0.00 0.00 0.00 53.44 50.10 2du8 n ALA 2008Cb 0.00 -0.38 0.07 0.00 0.00 0.00 0.00 19.45 19.13 2du8 n ALA 2008CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2du8 n GLY 2009N -0.96 -1.22 0.28 0.00 0.00 -1.26 -4.47 105.19 97.56 2du8 n GLY 2009Ca 0.20 -1.69 0.11 0.00 0.00 0.00 0.00 46.02 44.64 2du8 n GLY 2009CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2du8 h VAL 2010N -1.24 0.86 0.00 1.61 3.04 -1.96 -2.33 116.25 116.23 2du8 h VAL 2010Ca -0.14 0.00 -0.21 0.00 -1.01 0.00 0.00 66.70 65.34 2du8 h VAL 2010Cb 0.38 0.98 0.02 0.00 -2.01 0.00 0.00 31.29 30.66 2du8 h VAL 2010CO 0.10 0.00 -0.83 0.40 -1.01 0.00 0.00 177.57 176.23 2du8 h ILE 2011N 0.00 1.35 -0.05 3.17 1.08 -1.92 -2.69 117.51 118.45 2du8 h ILE 2011Ca 0.02 -2.17 -0.01 0.00 -0.39 0.00 0.00 64.86 62.31 2du8 h ILE 2011Cb 0.07 2.49 -0.00 0.00 -3.07 0.00 0.00 36.82 36.31 2du8 h ILE 2011CO -0.00 0.65 -0.01 1.23 -0.69 0.00 0.00 178.15 179.33 2du8 h GLY 2012N 0.15 0.11 0.92 5.37 0.00 -1.66 -2.20 103.07 105.75 2du8 h GLY 2012Ca -0.10 -0.09 -0.09 0.00 0.00 0.00 0.00 47.33 47.05 2du8 h GLY 2012CO 0.16 0.08 -0.16 1.41 0.00 0.00 0.00 176.54 178.04 2du8 h LEU 2013N -0.25 0.66 -0.10 3.11 3.38 -1.54 -0.23 115.31 120.34 2du8 h LEU 2013Ca 0.01 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 2du8 h LEU 2013Cb 0.41 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 2du8 h LEU 2013CO 0.01 0.93 0.02 0.77 0.09 0.00 0.00 178.44 180.25 2du8 h SER 2014N 0.39 0.15 -0.06 -0.43 4.64 -1.54 0.16 113.55 116.85 2du8 h SER 2014Ca 0.06 -0.24 0.03 0.00 -0.47 0.00 0.00 61.79 61.17 2du8 h SER 2014Cb 0.69 -0.04 -0.06 0.00 -0.31 0.00 0.00 62.40 62.68 2du8 h SER 2014CO 0.05 0.35 -0.49 0.74 -0.87 0.00 0.00 176.83 176.60 2du8 h THR 2015N -0.06 0.06 -0.82 2.95 2.02 -1.40 0.22 112.91 115.88 2du8 h THR 2015Ca 0.03 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.35 2du8 h THR 2015Cb 0.26 0.06 -0.14 0.00 -1.74 0.00 0.00 68.15 66.59 2du8 h THR 2015CO 0.00 0.00 -0.33 0.00 0.37 0.00 0.00 175.52 175.56 2du8 h ALA 2016N -0.21 0.16 -0.62 6.16 0.00 -0.80 0.14 119.26 124.10 2du8 h ALA 2016Ca 0.04 0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2du8 h ALA 2016Cb 0.69 0.85 -0.03 0.00 0.00 0.00 0.00 17.79 19.30 2du8 h ALA 2016CO -0.38 -0.60 0.37 1.25 0.00 0.00 0.00 179.25 179.89 2du8 h LEU 2017N -0.06 0.74 -0.88 0.00 5.85 0.26 -1.92 115.31 119.31 2du8 h LEU 2017Ca 0.32 -0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.86 2du8 h LEU 2017Cb 0.59 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 2du8 h LEU 2017CO -0.85 0.59 -0.36 0.00 -0.34 0.00 0.00 178.44 177.48 2du8 h ILE 2019N 0.34 1.36 0.07 0.00 2.04 -0.83 -2.97 117.51 117.52 2du8 h ILE 2019Ca 0.04 -1.56 -0.00 0.00 1.00 0.00 0.00 64.86 64.33 2du8 h ILE 2019Cb 0.79 1.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.85 2du8 h ILE 2019CO 0.06 0.47 -0.03 -0.74 0.00 0.00 0.00 178.15 177.91 2du8 h HIS 2020N 0.10 -0.09 -0.04 1.37 2.76 -1.23 -1.58 115.15 116.44 2du8 h HIS 2020Ca 0.00 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.18 2du8 h HIS 2020Cb 0.90 0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.89 2du8 h HIS 2020CO 0.10 0.28 0.08 1.05 -1.30 0.00 0.00 177.93 178.13 2du8 h GLU 2021N -0.47 0.00 -0.00 5.26 4.11 -1.08 -1.70 114.58 120.70 2du8 h GLU 2021Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2du8 h GLU 2021Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2du8 h GLU 2021CO 0.02 0.00 -0.72 -2.13 0.07 0.00 0.00 179.01 176.24 2du8 n ARG 2022N -3.43 1.20 0.00 1.06 0.63 -1.07 -4.67 116.66 110.38 2du8 n ARG 2022Ca -0.02 -0.24 0.00 0.00 -0.92 0.00 0.00 57.85 56.67 2du8 n ARG 2022Cb 0.16 -1.35 0.00 0.00 0.45 0.00 0.00 32.46 31.72 2du8 n ARG 2022CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2du8 n TYR 2023N -1.06 0.00 0.19 -0.14 4.01 -0.62 -4.80 117.16 114.74 2du8 n TYR 2023Ca 0.05 -0.01 0.06 0.00 -0.16 0.00 0.00 57.90 57.84 2du8 n TYR 2023Cb 0.31 -0.00 0.29 0.00 -0.31 0.00 0.00 39.34 39.63 2du8 n TYR 2023CO 0.00 0.00 0.00 1.12 -0.46 0.00 0.00 176.86 177.52 2du8 h HIS 2024N 0.00 0.00 -0.03 -0.72 2.07 -1.52 -2.84 115.15 112.11 2du8 h HIS 2024Ca 0.00 0.00 -0.18 0.00 -2.85 0.00 0.00 60.37 57.34 2du8 h HIS 2024Cb 0.57 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.54 2du8 h HIS 2024CO 0.00 0.36 -0.79 0.66 -3.07 0.00 0.00 177.93 175.10 2du8 h SER 2025N 0.00 0.32 -0.40 3.10 4.64 -1.87 -3.33 113.55 116.02 2du8 h SER 2025Ca -0.00 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 2du8 h SER 2025Cb 0.99 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 2du8 h SER 2025CO 0.05 0.98 0.00 1.33 -0.87 0.00 0.00 176.83 178.32 2du8 n VAL 2026N -3.75 2.04 -3.78 0.95 0.24 -1.20 -4.85 118.33 107.98 2du8 n VAL 2026Ca -0.04 -1.52 -0.22 0.00 -2.04 0.00 0.00 64.34 60.53 2du8 n VAL 2026Cb 0.74 -0.05 -0.17 0.00 -1.47 0.00 0.00 33.84 32.89 2du8 n VAL 2026CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2du8 s LEU 2027N -2.30 0.57 0.00 1.34 1.43 -1.08 -4.91 118.68 113.74 2du8 s LEU 2027Ca 0.42 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.48 2du8 s LEU 2027Cb 0.31 -0.35 0.00 0.00 0.03 0.00 0.00 46.19 46.17 2du8 s LEU 2027CO 0.14 -0.19 0.76 1.67 0.23 0.00 0.00 176.35 178.96 2du8 n GLN 2028N 5.04 0.00 -2.98 1.70 0.00 -1.26 -3.53 117.38 116.35 2du8 n GLN 2028Ca -0.09 0.44 -0.44 0.00 -0.00 0.00 0.00 57.00 56.92 2du8 n GLN 2028Cb 0.50 -1.34 -0.04 0.00 0.00 0.00 0.00 30.24 29.35 2du8 n GLN 2028CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 2du8 s PRO 2029N -2.40 3.12 -0.80 3.69 0.05 -1.26 -4.95 135.00 132.45 2du8 s PRO 2029Ca 0.00 -0.91 -0.13 0.00 0.05 0.00 0.00 61.00 60.01 2du8 s PRO 2029Cb 0.00 -4.20 0.21 0.00 0.05 0.00 0.00 34.50 30.57 2du8 s PRO 2029CO 0.00 -1.60 0.74 -1.17 0.05 0.00 0.00 177.00 175.02 2du8 s LEU 2030N 3.42 6.65 -0.47 -3.56 2.96 -1.23 -0.67 118.68 125.78 2du8 s LEU 2030Ca 0.19 -2.66 -0.16 0.00 -0.22 0.00 0.00 54.13 51.28 2du8 s LEU 2030Cb -0.19 -2.19 0.06 0.00 0.50 0.00 0.00 46.19 44.37 2du8 s LEU 2030CO 0.10 -0.57 0.44 -1.81 -1.32 0.00 0.00 176.35 173.19 2du8 s ASP 2031N 2.14 6.16 -0.30 3.68 1.01 -0.56 -5.02 116.67 123.79 2du8 s ASP 2031Ca 0.17 -1.11 -0.09 0.00 0.71 0.00 0.00 52.55 52.22 2du8 s ASP 2031Cb -0.12 -2.21 -0.01 0.00 1.01 0.00 0.00 42.92 41.59 2du8 s ASP 2031CO -0.08 -0.67 0.14 -0.63 0.21 0.00 0.00 175.17 174.14 2du8 s ILE 2032N 1.92 4.63 0.10 0.77 1.01 -1.26 -0.39 121.20 127.98 2du8 s ILE 2032Ca 0.07 -0.32 0.07 0.00 0.00 0.00 0.00 60.65 60.48 2du8 s ILE 2032Cb -0.22 -3.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.90 2du8 s ILE 2032CO 0.09 0.13 -0.12 -0.54 0.00 0.00 0.00 174.94 174.50 2du8 s LYS 2033N 1.63 2.08 -0.20 2.79 1.02 0.07 -2.83 119.74 124.30 2du8 s LYS 2033Ca 0.05 -1.03 -0.02 0.00 0.02 0.00 0.00 55.97 54.99 2du8 s LYS 2033Cb -0.17 -2.27 -0.00 0.00 -0.52 0.00 0.00 37.83 34.87 2du8 s LYS 2033CO 0.06 0.51 -0.09 0.08 -0.92 0.00 0.00 175.35 174.99 2du8 s VAL 2034N -1.17 2.98 -0.23 3.17 1.01 0.04 -0.25 120.40 125.95 2du8 s VAL 2034Ca 0.20 -0.63 -0.10 0.00 0.00 0.00 0.00 61.98 61.45 2du8 s VAL 2034Cb -0.11 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 2du8 s VAL 2034CO 0.12 0.46 0.13 -0.31 0.00 0.00 0.00 175.10 175.51 2du8 s TYR 2035N 1.32 3.30 -0.00 5.22 1.51 0.97 -0.93 117.35 128.75 2du8 s TYR 2035Ca 0.04 0.18 -0.09 0.00 -1.01 0.00 0.00 57.07 56.19 2du8 s TYR 2035Cb -0.14 -2.22 0.01 0.00 -0.11 0.00 0.00 41.96 39.49 2du8 s TYR 2035CO -0.05 0.09 0.18 0.00 -1.11 0.00 0.00 175.55 174.65 2du8 s ALA 2036N 0.88 -0.44 0.06 3.71 0.00 -0.78 -0.17 121.76 125.03 2du8 s ALA 2036Ca 0.07 -0.02 -0.08 0.00 0.00 0.00 0.00 51.96 51.93 2du8 s ALA 2036Cb -0.13 0.10 -0.31 0.00 0.00 0.00 0.00 23.12 22.78 2du8 s ALA 2036CO 0.03 -0.22 1.10 0.22 0.00 0.00 0.00 175.76 176.89 2du8 h ASP 2037N 4.18 0.55 -4.66 0.00 3.58 -1.82 0.53 116.42 118.78 2du8 h ASP 2037Ca -0.30 -0.59 -0.24 0.00 0.42 0.00 0.00 57.03 56.31 2du8 h ASP 2037Cb 1.19 -0.18 -0.22 0.00 1.72 0.00 0.00 39.33 41.83 2du8 h ASP 2037CO 0.40 1.46 -0.72 0.00 -2.88 0.00 0.00 179.24 177.51 2du8 s ARG 2038N -2.64 0.39 0.51 0.28 1.70 -1.26 -4.72 118.95 113.21 2du8 s ARG 2038Ca -0.05 -0.58 0.03 0.00 -0.47 0.00 0.00 55.73 54.66 2du8 s ARG 2038Cb 0.06 -0.14 -0.00 0.00 -0.57 0.00 0.00 34.95 34.30 2du8 s ARG 2038CO 0.90 0.02 0.16 -0.06 -1.08 0.00 0.00 175.30 175.24 2du8 s PHE 2039N -1.16 1.88 0.04 5.89 0.08 -1.26 -4.59 117.98 118.86 2du8 s PHE 2039Ca -0.10 -0.87 0.03 0.00 0.12 0.00 0.00 56.93 56.11 2du8 s PHE 2039Cb -0.08 -1.76 0.12 0.00 -0.57 0.00 0.00 43.02 40.73 2du8 s PHE 2039CO -0.00 -0.01 0.12 -2.37 -0.10 0.00 0.00 175.22 172.86 2du8 n THR 2040N -1.42 -0.01 1.22 0.64 5.66 -1.26 0.56 114.28 119.66 2du8 n THR 2040Ca -0.11 0.13 0.13 0.00 -3.05 0.00 0.00 64.05 61.15 2du8 n THR 2040Cb 0.66 -0.21 0.29 0.00 -1.55 0.00 0.00 70.33 69.52 2du8 n THR 2040CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 2du8 n PRO 2041N -2.57 1.23 -1.02 1.09 -0.04 -1.26 -4.63 135.00 127.79 2du8 n PRO 2041Ca 0.03 -0.84 0.03 0.00 -0.04 0.00 0.00 63.50 62.69 2du8 n PRO 2041Cb 0.13 -1.48 0.14 0.00 -0.04 0.00 0.00 33.50 32.25 2du8 n PRO 2041CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2du8 n LEU 2042N -0.15 2.32 -4.81 1.53 4.77 0.19 -4.94 117.00 115.91 2du8 n LEU 2042Ca 0.13 -3.38 -0.22 0.00 -0.03 0.00 0.00 56.01 52.51 2du8 n LEU 2042Cb 0.40 -0.33 -0.05 0.00 -2.33 0.00 0.00 43.42 41.11 2du8 n LEU 2042CO 0.24 1.18 -0.09 0.42 -1.33 0.00 0.00 177.39 177.80 2du8 s THR 2043N -2.40 2.94 0.37 -5.08 -4.23 -1.24 -4.73 115.64 101.27 2du8 s THR 2043Ca 0.37 -1.49 0.07 0.00 -1.18 0.00 0.00 61.69 59.46 2du8 s THR 2043Cb 0.38 -3.04 0.30 0.00 1.34 0.00 0.00 72.50 71.47 2du8 s THR 2043CO -0.09 -0.09 1.96 0.74 -0.54 0.00 0.00 174.62 176.60 2du8 h THR 2044N 1.27 1.01 -0.99 3.99 2.02 -1.95 -2.43 112.91 115.84 2du8 h THR 2044Ca -0.43 -0.25 0.09 0.00 0.77 0.00 0.00 66.41 66.59 2du8 h THR 2044Cb 1.26 0.23 -0.07 0.00 -1.74 0.00 0.00 68.15 67.83 2du8 h THR 2044CO 0.61 0.13 0.64 0.74 0.37 0.00 0.00 175.52 178.01 2du8 h THR 2045N 0.71 1.02 -0.32 3.16 2.02 -1.96 -2.10 112.91 115.44 2du8 h THR 2045Ca 0.31 -0.37 -0.04 0.00 0.77 0.00 0.00 66.41 67.07 2du8 h THR 2045Cb 0.28 -0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.51 2du8 h THR 2045CO -0.10 0.20 0.03 0.44 0.37 0.00 0.00 175.52 176.45 2du8 h ASP 2046N 1.08 0.44 0.42 4.18 5.19 -1.72 -2.82 116.42 123.21 2du8 h ASP 2046Ca 0.45 -0.07 -0.09 0.00 -0.62 0.00 0.00 57.03 56.70 2du8 h ASP 2046Cb 0.31 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.69 2du8 h ASP 2046CO -0.21 0.49 -0.44 0.58 -3.12 0.00 0.00 179.24 176.55 2du8 h VAL 2047N 0.46 1.31 -3.73 -1.35 2.07 -1.42 -3.41 116.25 110.20 2du8 h VAL 2047Ca 0.10 -1.50 -0.52 0.00 0.82 0.00 0.00 66.70 65.60 2du8 h VAL 2047Cb 0.26 1.80 0.05 0.00 -1.52 0.00 0.00 31.29 31.89 2du8 h VAL 2047CO 0.00 0.43 0.63 0.00 0.02 0.00 0.00 177.57 178.66 2du8 s ALA 2048N -4.04 3.50 0.32 1.67 0.00 -1.06 -4.95 121.76 117.20 2du8 s ALA 2048Ca -0.03 1.19 0.02 0.00 0.00 0.00 0.00 51.96 53.14 2du8 s ALA 2048Cb 0.14 -3.47 0.53 0.00 0.00 0.00 0.00 23.12 20.32 2du8 s ALA 2048CO 0.74 -0.56 1.86 0.00 0.00 0.00 0.00 175.76 177.80 2du8 h ALA 2049N 3.99 1.32 0.00 0.00 0.00 -1.88 -3.38 119.26 119.30 2du8 h ALA 2049Ca -0.48 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2du8 h ALA 2049Cb 1.22 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2du8 h ALA 2049CO 0.69 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.82 2du8 n GLY 2050N -0.90 0.56 3.72 0.00 0.00 -1.26 -4.48 105.19 102.83 2du8 n GLY 2050Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2du8 n GLY 2050CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2du8 s LEU 2051N 0.00 4.37 -0.22 0.99 2.96 -1.26 -1.36 118.68 124.16 2du8 s LEU 2051Ca 0.00 2.61 -0.29 0.00 -0.22 0.00 0.00 54.13 56.23 2du8 s LEU 2051Cb 0.00 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 43.10 2du8 s LEU 2051CO 0.00 -0.81 1.03 0.86 -1.32 0.00 0.00 176.35 176.11 2du8 s TRP 2052N 1.04 3.36 0.00 5.38 -0.00 -0.34 -4.67 118.94 123.71 2du8 s TRP 2052Ca 0.69 1.48 0.00 0.00 -0.00 0.00 0.00 56.10 58.26 2du8 s TRP 2052Cb -0.43 -3.26 0.00 0.00 -0.00 0.00 0.00 33.47 29.78 2du8 s TRP 2052CO 0.32 -0.45 0.00 0.94 -0.00 0.00 0.00 176.95 177.76 2du8 n GLN 2053N 6.18 0.00 -0.96 5.86 7.27 -1.26 -4.66 117.38 129.82 2du8 n GLN 2053Ca 0.12 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.89 2du8 n GLN 2053Cb 0.46 0.00 0.22 0.00 2.41 0.00 0.00 30.24 33.34 2du8 n GLN 2053CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 2du8 s PRO 2054N 0.00 -0.77 0.70 3.69 0.02 -1.26 -4.90 135.00 132.48 2du8 s PRO 2054Ca 0.00 0.30 -0.16 0.00 0.02 0.00 0.00 61.00 61.15 2du8 s PRO 2054Cb 0.00 -1.62 0.01 0.00 0.02 0.00 0.00 34.50 32.91 2du8 s PRO 2054CO 0.00 -3.49 1.11 0.66 -0.33 0.00 0.00 177.00 174.95 2du8 n TYR 2055N -4.67 1.19 -0.04 6.54 4.01 -1.26 -4.94 117.16 117.99 2du8 n TYR 2055Ca 0.08 0.41 -0.02 0.00 -0.16 0.00 0.00 57.90 58.21 2du8 n TYR 2055Cb 0.58 -2.15 0.25 0.00 -0.31 0.00 0.00 39.34 37.70 2du8 n TYR 2055CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2du8 h LEU 2056N -0.02 0.59 -9.89 7.72 3.38 -2.01 -3.44 115.31 111.64 2du8 h LEU 2056Ca -0.48 -0.12 -0.56 0.00 0.09 0.00 0.00 57.88 56.80 2du8 h LEU 2056Cb 1.33 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.89 2du8 h LEU 2056CO 0.49 0.66 -0.14 -0.94 0.09 0.00 0.00 178.44 178.59 2du8 s SER 2057N -6.70 6.70 0.12 -0.43 1.04 -1.26 -4.48 113.70 108.69 2du8 s SER 2057Ca -0.08 0.93 -0.35 0.00 0.48 0.00 0.00 55.95 56.93 2du8 s SER 2057Cb 0.15 -2.23 -0.17 0.00 0.10 0.00 0.00 66.02 63.87 2du8 s SER 2057CO 0.78 0.06 1.18 0.47 0.98 0.00 0.00 173.24 176.70 2du8 n ASP 2058N 0.46 1.10 -4.77 7.02 9.92 -1.26 -4.94 116.55 124.09 2du8 n ASP 2058Ca -0.04 1.14 -0.40 0.00 -0.53 0.00 0.00 54.79 54.96 2du8 n ASP 2058Cb 0.52 -1.15 -0.02 0.00 -0.64 0.00 0.00 41.12 39.83 2du8 n ASP 2058CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2du8 s PRO 2059N -0.06 4.25 0.32 -0.24 0.04 -1.26 -4.94 135.00 133.11 2du8 s PRO 2059Ca 0.79 2.13 0.06 0.00 0.04 0.00 0.00 61.00 64.03 2du8 s PRO 2059Cb -0.95 -2.96 0.73 0.00 0.04 0.00 0.00 34.50 31.35 2du8 s PRO 2059CO 0.51 -0.25 1.82 -0.97 0.04 0.00 0.00 177.00 178.16 2du8 h ASN 2060N 3.16 0.77 -3.35 6.66 -0.73 -1.92 -3.30 115.58 116.86 2du8 h ASN 2060Ca -0.49 0.06 -0.73 0.00 1.87 0.00 0.00 56.30 57.02 2du8 h ASN 2060Cb 1.23 -0.08 -0.22 0.00 0.27 0.00 0.00 38.32 39.52 2du8 h ASN 2060CO 0.64 0.35 -0.32 0.21 -0.37 0.00 0.00 177.43 177.94 2du8 s ASN 2061N -5.60 6.15 0.00 1.15 2.47 -1.26 -4.97 114.94 112.87 2du8 s ASN 2061Ca -0.11 -1.18 0.02 0.00 0.42 0.00 0.00 52.86 52.01 2du8 s ASN 2061Cb 0.23 -2.19 0.09 0.00 -1.45 0.00 0.00 41.25 37.93 2du8 s ASN 2061CO 0.80 -0.62 1.04 -0.81 -3.72 0.00 0.00 177.10 173.79 2du8 n PRO 2062N 5.28 0.00 -0.11 0.43 -0.04 -1.25 -1.36 135.00 137.96 2du8 n PRO 2062Ca -0.11 0.44 0.04 0.00 -0.04 0.00 0.00 63.50 63.82 2du8 n PRO 2062Cb 0.45 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.76 2du8 n PRO 2062CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2du8 h GLN 2063N 0.00 0.72 -0.89 0.54 4.20 -1.93 -3.19 115.11 114.56 2du8 h GLN 2063Ca 0.00 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.69 2du8 h GLN 2063Cb 0.03 -0.16 -0.05 0.00 0.30 0.00 0.00 27.48 27.60 2du8 h GLN 2063CO 0.00 0.47 0.59 0.93 -0.67 0.00 0.00 178.83 180.15 2du8 h GLU 2064N 0.74 1.12 -0.87 1.46 5.08 -1.61 -1.51 114.58 119.00 2du8 h GLU 2064Ca 0.23 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 2du8 h GLU 2064Cb 0.01 -0.25 -0.05 0.00 0.50 0.00 0.00 28.75 28.96 2du8 h GLU 2064CO -0.06 0.74 0.57 0.00 -1.00 0.00 0.00 179.01 179.27 2du8 h ALA 2065N 1.46 1.11 -0.36 3.43 0.00 -1.75 -1.18 119.26 121.98 2du8 h ALA 2065Ca 0.34 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 2du8 h ALA 2065Cb -0.05 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 2du8 h ALA 2065CO -0.09 0.48 -0.04 -0.44 0.00 0.00 0.00 179.25 179.16 2du8 h ASP 2066N 1.15 0.66 -0.83 0.00 3.32 -1.43 -1.79 116.42 117.50 2du8 h ASP 2066Ca 0.32 -0.33 0.02 0.00 0.02 0.00 0.00 57.03 57.06 2du8 h ASP 2066Cb -0.10 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.23 2du8 h ASP 2066CO -0.08 0.83 0.54 -0.50 -1.72 0.00 0.00 179.24 178.31 2du8 h TRP 2067N 0.47 1.02 -0.10 4.55 6.55 -1.03 0.43 115.95 127.84 2du8 h TRP 2067Ca 0.10 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.96 2du8 h TRP 2067Cb 0.52 -0.34 -0.00 0.00 -0.86 0.00 0.00 29.16 28.47 2du8 h TRP 2067CO 0.04 0.62 0.06 0.77 -1.05 0.00 0.00 178.44 178.88 2du8 h SER 2068N 1.08 0.11 -0.56 -3.49 0.02 -1.18 0.48 113.55 110.01 2du8 h SER 2068Ca 0.32 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.23 2du8 h SER 2068Cb -0.06 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 2du8 h SER 2068CO -0.09 0.10 0.30 -0.61 -1.14 0.00 0.00 176.83 175.39 2du8 h GLN 2069N 0.11 0.79 -0.70 3.45 5.75 -0.61 -0.83 115.11 123.08 2du8 h GLN 2069Ca 0.03 -0.10 -0.00 0.00 -0.15 0.00 0.00 58.65 58.44 2du8 h GLN 2069Cb 0.00 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.37 2du8 h GLN 2069CO -0.01 0.62 0.43 1.96 -2.65 0.00 0.00 178.83 179.18 2du8 h GLN 2070N 0.76 0.94 -0.66 1.69 4.20 0.05 -2.01 115.11 120.08 2du8 h GLN 2070Ca 0.20 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.78 2du8 h GLN 2070Cb 0.06 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 2du8 h GLN 2070CO -0.03 0.66 0.24 1.15 -0.67 0.00 0.00 178.83 180.18 2du8 h THR 2071N 0.95 1.24 0.03 -0.54 2.02 -0.39 -2.83 112.91 113.39 2du8 h THR 2071Ca 0.25 -0.79 -0.00 0.00 0.77 0.00 0.00 66.41 66.64 2du8 h THR 2071Cb -0.05 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 2du8 h THR 2071CO -0.05 0.31 -0.01 0.15 0.37 0.00 0.00 175.52 176.29 2du8 h PHE 2072N 0.94 -0.03 -0.40 3.16 3.57 -0.74 -0.28 116.94 123.16 2du8 h PHE 2072Ca 0.22 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.74 2du8 h PHE 2072Cb 0.24 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 2du8 h PHE 2072CO 0.02 0.10 0.22 -0.44 -2.23 0.00 0.00 178.31 175.97 2du8 h ASP 2073N -0.16 0.34 -0.12 0.41 3.32 -1.40 0.12 116.42 118.93 2du8 h ASP 2073Ca -0.00 0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.10 2du8 h ASP 2073Cb 0.15 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.58 2du8 h ASP 2073CO 0.01 0.24 -0.28 0.22 -1.72 0.00 0.00 179.24 177.71 2du8 h TYR 2074N 0.44 -0.76 -0.36 4.55 3.20 -1.34 -0.64 116.97 122.06 2du8 h TYR 2074Ca 0.16 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.98 2du8 h TYR 2074Cb 0.04 0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 2du8 h TYR 2074CO -0.08 -0.36 -0.15 -0.07 -1.64 0.00 0.00 178.16 175.85 2du8 h LEU 2075N -0.36 0.64 -0.78 2.82 3.38 -0.68 -2.83 115.31 117.50 2du8 h LEU 2075Ca 0.10 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 2du8 h LEU 2075Cb 0.50 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 2du8 h LEU 2075CO -0.33 0.81 0.28 0.25 0.09 0.00 0.00 178.44 179.54 2du8 h LEU 2076N 0.58 1.11 0.00 1.67 5.85 -0.37 -2.63 115.31 121.51 2du8 h LEU 2076Ca 0.10 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2du8 h LEU 2076Cb 0.59 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.33 2du8 h LEU 2076CO 0.04 1.00 0.00 -1.54 -0.34 0.00 0.00 178.44 177.60 2du8 n SER 2077N -4.26 0.00 0.00 1.25 3.41 -0.28 -2.40 113.62 111.34 2du8 n SER 2077Ca 0.07 -0.60 0.00 0.00 -0.26 0.00 0.00 58.87 58.08 2du8 n SER 2077Cb 0.21 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 2du8 n SER 2077CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2du8 n HIS 2078N -1.00 0.00 0.30 7.33 8.25 -1.02 -4.74 115.22 124.34 2du8 n HIS 2078Ca 0.14 -0.13 0.16 0.00 -0.26 0.00 0.00 57.72 57.64 2du8 n HIS 2078Cb 0.07 -0.01 0.75 0.00 1.12 0.00 0.00 29.99 31.92 2du8 n HIS 2078CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 2du8 h VAL 2079N 0.54 0.00 0.00 1.59 3.04 -1.18 -3.02 116.25 117.21 2du8 h VAL 2079Ca 0.00 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.45 2du8 h VAL 2079Cb 0.34 1.09 0.00 0.00 -2.01 0.00 0.00 31.29 30.70 2du8 h VAL 2079CO 0.00 0.00 -0.52 1.41 -1.01 0.00 0.00 177.57 177.45 2du8 n HIS 2080N -2.74 0.00 -0.84 3.17 8.25 -1.26 -4.85 115.22 116.94 2du8 n HIS 2080Ca -0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.15 2du8 n HIS 2080Cb 0.19 -0.03 0.16 0.00 1.12 0.00 0.00 29.99 31.43 2du8 n HIS 2080CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2du8 s SER 2081N -1.92 2.98 0.37 0.41 1.04 -1.14 -4.94 113.70 110.50 2du8 s SER 2081Ca 0.02 1.94 0.10 0.00 0.48 0.00 0.00 55.95 58.48 2du8 s SER 2081Cb 0.06 -2.47 0.71 0.00 0.10 0.00 0.00 66.02 64.41 2du8 s SER 2081CO 0.32 -3.02 1.86 1.55 0.98 0.00 0.00 173.24 174.93 2du8 h PRO 2082N -1.81 0.19 -0.22 4.02 0.13 -1.95 -2.72 132.00 129.65 2du8 h PRO 2082Ca -0.47 -0.06 0.06 0.00 -0.87 0.00 0.00 66.00 64.67 2du8 h PRO 2082Cb 1.27 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2du8 h PRO 2082CO 0.46 0.42 0.32 -0.91 -0.23 0.00 0.00 178.00 178.07 2du8 h ASN 2083N 0.18 0.00 -0.71 1.44 4.21 -1.92 -3.32 115.58 115.45 2du8 h ASN 2083Ca 0.03 0.00 0.15 0.00 1.21 0.00 0.00 56.30 57.69 2du8 h ASN 2083Cb 0.51 0.00 -0.10 0.00 -1.12 0.00 0.00 38.32 37.61 2du8 h ASN 2083CO 0.04 0.00 0.19 0.00 -1.29 0.00 0.00 177.43 176.37 2du8 h ALA 2084N 1.56 0.93 -0.59 -0.83 0.00 -1.68 0.07 119.26 118.71 2du8 h ALA 2084Ca 0.10 0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.19 2du8 h ALA 2084Cb 0.75 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 2du8 h ALA 2084CO -0.00 -0.31 0.36 1.49 0.00 0.00 0.00 179.25 180.79 2du8 h GLU 2085N 0.30 0.68 -0.91 0.00 4.81 -1.81 -1.25 114.58 116.40 2du8 h GLU 2085Ca 0.40 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.57 2du8 h GLU 2085Cb 0.65 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.83 2du8 h GLU 2085CO -0.47 0.45 0.51 -0.91 -0.73 0.00 0.00 179.01 177.86 2du8 h ASN 2086N 0.70 1.12 0.90 1.04 2.35 -1.27 -2.70 115.58 117.72 2du8 h ASN 2086Ca 0.24 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2du8 h ASN 2086Cb 0.04 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.12 2du8 h ASN 2086CO -0.11 0.89 0.00 0.18 -1.65 0.00 0.00 177.43 176.74 2du8 n LEU 2087N -4.35 0.19 -3.40 1.61 4.32 -0.43 -4.44 117.00 110.51 2du8 n LEU 2087Ca 0.10 0.53 -0.17 0.00 -0.02 0.00 0.00 56.01 56.44 2du8 n LEU 2087Cb 0.09 -0.48 0.09 0.00 -1.62 0.00 0.00 43.42 41.49 2du8 n LEU 2087CO 0.39 -0.15 0.12 0.61 -1.22 0.00 0.00 177.39 177.13 2du8 n GLY 2088N 0.89 -0.36 3.53 -0.72 0.00 -0.58 -3.04 105.19 104.91 2du8 n GLY 2088Ca 0.05 0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 2du8 n GLY 2088CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2du8 s LEU 2089N -6.36 2.92 -0.09 0.99 0.20 -0.58 -1.41 118.68 114.35 2du8 s LEU 2089Ca 0.05 -0.17 -0.32 0.00 0.69 0.00 0.00 54.13 54.38 2du8 s LEU 2089Cb -0.02 -1.64 0.12 0.00 -0.43 0.00 0.00 46.19 44.21 2du8 s LEU 2089CO 0.72 0.32 1.10 0.72 -0.29 0.00 0.00 176.35 178.92 2du8 s PHE 2090N -0.84 -0.19 0.27 5.38 -0.71 -0.94 -4.58 117.98 116.37 2du8 s PHE 2090Ca 0.13 0.09 -0.20 0.00 -1.04 0.00 0.00 56.93 55.92 2du8 s PHE 2090Cb -0.11 0.53 -0.09 0.00 -1.21 0.00 0.00 43.02 42.15 2du8 s PHE 2090CO 0.03 -0.36 0.77 -0.51 -1.34 0.00 0.00 175.22 173.81 2du8 s LEU 2091N -2.40 4.27 -0.13 -1.99 1.43 -1.26 -1.30 118.68 117.30 2du8 s LEU 2091Ca 0.09 1.46 -0.15 0.00 -1.03 0.00 0.00 54.13 54.50 2du8 s LEU 2091Cb -0.00 -3.79 0.04 0.00 0.03 0.00 0.00 46.19 42.46 2du8 s LEU 2091CO -0.06 -0.05 0.40 -0.51 0.23 0.00 0.00 176.35 176.36 2du8 s ILE 2092N -1.66 0.01 0.38 -0.59 2.07 -0.55 -4.90 121.20 115.97 2du8 s ILE 2092Ca 0.47 -0.07 0.08 0.00 -1.41 0.00 0.00 60.65 59.72 2du8 s ILE 2092Cb -0.15 -0.58 -0.04 0.00 0.13 0.00 0.00 42.46 41.81 2du8 s ILE 2092CO 0.20 -0.04 0.20 -0.44 -1.91 0.00 0.00 174.94 172.95 2du8 s SER 2093N -0.06 4.63 0.00 4.50 0.01 -1.26 0.29 113.70 121.81 2du8 s SER 2093Ca -0.02 -0.89 0.00 0.00 1.31 0.00 0.00 55.95 56.34 2du8 s SER 2093Cb -0.03 -0.60 0.00 0.00 0.21 0.00 0.00 66.02 65.60 2du8 s SER 2093CO 0.01 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 173.82 2du8 n GLY 2094N -1.25 -1.61 3.42 3.44 0.00 -0.56 -1.80 105.19 106.84 2du8 n GLY 2094Ca -0.01 -1.17 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 2du8 n GLY 2094CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2du8 s TYR 2095N -2.79 2.70 -0.35 1.61 1.51 0.34 -2.30 117.35 118.07 2du8 s TYR 2095Ca 0.00 -0.36 -0.10 0.00 -1.01 0.00 0.00 57.07 55.61 2du8 s TYR 2095Cb 0.00 -1.68 0.03 0.00 -0.11 0.00 0.00 41.96 40.19 2du8 s TYR 2095CO 0.00 0.03 0.17 -0.80 -1.11 0.00 0.00 175.55 173.84 2du8 s ASN 2096N -0.37 5.58 0.00 2.29 0.01 -0.32 0.19 114.94 122.32 2du8 s ASN 2096Ca 0.04 -0.96 -0.02 0.00 -0.71 0.00 0.00 52.86 51.20 2du8 s ASN 2096Cb -0.12 -1.98 -0.04 0.00 0.41 0.00 0.00 41.25 39.52 2du8 s ASN 2096CO 0.02 -0.34 0.17 -0.76 -1.51 0.00 0.00 177.10 174.68 2du8 s LEU 2097N 1.52 4.29 0.09 0.60 1.43 0.20 -0.09 118.68 126.72 2du8 s LEU 2097Ca 0.01 0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.43 2du8 s LEU 2097Cb -0.19 -2.61 -0.04 0.00 0.03 0.00 0.00 46.19 43.38 2du8 s LEU 2097CO 0.05 0.25 -0.06 -0.36 0.23 0.00 0.00 176.35 176.47 2du8 s PHE 2098N -1.33 0.80 -0.08 0.29 0.08 0.47 -1.31 117.98 116.90 2du8 s PHE 2098Ca 0.28 -0.93 -0.15 0.00 0.12 0.00 0.00 56.93 56.24 2du8 s PHE 2098Cb -0.13 -0.48 -0.29 0.00 -0.57 0.00 0.00 43.02 41.55 2du8 s PHE 2098CO 0.19 -0.20 0.64 0.45 -0.10 0.00 0.00 175.22 176.21 2du8 h HIS 2099N 3.06 0.54 -0.28 0.36 3.86 -1.82 -2.33 115.15 118.55 2du8 h HIS 2099Ca -0.35 -0.40 -0.65 0.00 -1.16 0.00 0.00 60.37 57.82 2du8 h HIS 2099Cb 1.16 -0.02 -0.09 0.00 1.06 0.00 0.00 27.41 29.52 2du8 h HIS 2099CO 0.58 1.56 -0.41 -1.21 0.86 0.00 0.00 177.93 179.31 2du8 s GLU 2100N -2.50 2.23 0.75 2.45 0.41 -1.26 -4.14 118.70 116.64 2du8 s GLU 2100Ca -0.18 -2.28 -0.13 0.00 -0.41 0.00 0.00 54.97 51.97 2du8 s GLU 2100Cb 0.04 -1.77 0.05 0.00 -1.78 0.00 0.00 34.13 30.68 2du8 s GLU 2100CO 0.80 -0.53 1.14 0.00 -0.49 0.00 0.00 175.26 176.18 2du8 s ALA 2101N -2.86 2.14 -0.18 5.21 0.00 -1.26 -4.66 121.76 120.16 2du8 s ALA 2101Ca 0.15 0.59 -0.20 0.00 0.00 0.00 0.00 51.96 52.50 2du8 s ALA 2101Cb -0.01 -3.38 0.05 0.00 0.00 0.00 0.00 23.12 19.79 2du8 s ALA 2101CO 0.09 -1.83 0.55 -1.50 0.00 0.00 0.00 175.76 173.08 2du8 s ILE 2102N -2.42 0.00 0.42 0.00 1.10 -1.26 -5.15 121.20 113.90 2du8 s ILE 2102Ca 0.68 -0.04 -0.25 0.00 -0.51 0.00 0.00 60.65 60.53 2du8 s ILE 2102Cb -0.23 -0.78 -0.08 0.00 0.15 0.00 0.00 42.46 41.52 2du8 s ILE 2102CO 0.49 -0.02 1.30 -2.16 -2.11 0.00 0.00 174.94 172.44 2du8 s PRO 2103N 0.01 3.88 0.39 3.50 0.04 -1.26 -4.97 135.00 136.59 2du8 s PRO 2103Ca -0.02 2.14 -0.23 0.00 0.04 0.00 0.00 61.00 62.93 2du8 s PRO 2103Cb -0.04 -2.68 -0.14 0.00 0.04 0.00 0.00 34.50 31.68 2du8 s PRO 2103CO 0.02 -0.56 0.35 -0.25 0.04 0.00 0.00 177.00 176.60 2du8 n ASP 2104N -0.03 -1.74 -4.85 6.66 9.92 -1.26 -4.94 116.55 120.31 2du8 n ASP 2104Ca 0.05 0.89 -0.31 0.00 -0.53 0.00 0.00 54.79 54.89 2du8 n ASP 2104Cb 0.44 -1.00 0.03 0.00 -0.64 0.00 0.00 41.12 39.95 2du8 n ASP 2104CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2du8 s PRO 2105N -1.27 3.22 0.52 -0.24 0.04 -1.26 -4.95 135.00 131.06 2du8 s PRO 2105Ca 0.62 0.79 0.22 0.00 0.04 0.00 0.00 61.00 62.67 2du8 s PRO 2105Cb -0.65 -2.03 1.39 0.00 0.04 0.00 0.00 34.50 33.24 2du8 s PRO 2105CO 0.60 -0.85 2.11 0.66 0.04 0.00 0.00 177.00 179.56 2du8 h SER 2106N -0.53 0.00 -0.38 6.66 4.64 -1.92 -2.73 113.55 119.29 2du8 h SER 2106Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2du8 h SER 2106Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2du8 h SER 2106CO 0.60 0.09 0.00 -2.67 -0.87 0.00 0.00 176.83 173.98 2du8 n TRP 2107N -4.06 0.92 -0.10 4.77 4.27 -1.26 -4.56 117.44 117.41 2du8 n TRP 2107Ca -0.03 -0.36 0.24 0.00 -3.89 0.00 0.00 57.50 53.46 2du8 n TRP 2107Cb 0.17 -0.18 0.69 0.00 -1.36 0.00 0.00 31.31 30.62 2du8 n TRP 2107CO 0.00 0.00 0.00 1.57 -2.29 0.00 0.00 177.69 176.97 2du8 h LYS 2108N 2.41 0.04 -0.01 -2.67 2.10 -1.86 -0.43 116.57 116.16 2du8 h LYS 2108Ca 0.00 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2du8 h LYS 2108Cb 0.99 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.31 2du8 h LYS 2108CO 0.15 0.03 -0.70 -0.25 -2.00 0.00 0.00 179.45 176.68 2du8 n ASP 2109N -4.34 1.28 0.05 7.07 8.00 -1.26 -4.21 116.55 123.14 2du8 n ASP 2109Ca 0.14 -1.14 -0.13 0.00 0.71 0.00 0.00 54.79 54.38 2du8 n ASP 2109Cb 0.77 0.79 -0.09 0.00 -0.02 0.00 0.00 41.12 42.57 2du8 n ASP 2109CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2du8 h THR 2110N 0.87 1.08 -2.98 -3.53 2.02 -1.38 -3.46 112.91 105.53 2du8 h THR 2110Ca 0.00 -0.79 -0.31 0.00 0.77 0.00 0.00 66.41 66.08 2du8 h THR 2110Cb 0.54 1.58 0.15 0.00 -1.74 0.00 0.00 68.15 68.67 2du8 h THR 2110CO 0.00 0.19 0.11 1.33 0.37 0.00 0.00 175.52 177.51 2du8 n VAL 2111N -4.98 0.00 -4.33 3.16 0.24 -1.10 -5.00 118.33 106.33 2du8 n VAL 2111Ca -0.09 -0.40 -0.34 0.00 -2.04 0.00 0.00 64.34 61.48 2du8 n VAL 2111Cb 0.22 -1.21 -0.11 0.00 -1.47 0.00 0.00 33.84 31.27 2du8 n VAL 2111CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2du8 s LEU 2112N 0.00 3.45 -1.45 1.34 1.02 -0.91 -4.66 118.68 117.46 2du8 s LEU 2112Ca 0.56 -0.00 -0.08 0.00 0.02 0.00 0.00 54.13 54.62 2du8 s LEU 2112Cb -0.05 -1.82 0.02 0.00 0.02 0.00 0.00 46.19 44.36 2du8 s LEU 2112CO 0.42 0.24 0.92 0.61 0.02 0.00 0.00 176.35 178.56 2du8 n GLY 2113N 3.07 -0.53 3.71 -3.19 0.00 -1.26 -0.97 105.19 106.02 2du8 n GLY 2113Ca -0.18 0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2du8 n GLY 2113CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2du8 s PHE 2114N -3.24 2.72 0.32 1.61 2.19 -1.26 -4.54 117.98 115.77 2du8 s PHE 2114Ca 0.49 0.34 -0.08 0.00 0.33 0.00 0.00 56.93 58.02 2du8 s PHE 2114Cb -0.22 -4.06 0.01 0.00 -1.31 0.00 0.00 43.02 37.43 2du8 s PHE 2114CO 0.61 -4.11 0.52 -0.98 1.83 0.00 0.00 175.22 173.09 2du8 s ARG 2115N 1.71 1.84 0.49 10.12 1.04 -0.89 -5.04 118.95 128.22 2du8 s ARG 2115Ca 0.75 -1.55 -0.11 0.00 -1.04 0.00 0.00 55.73 53.77 2du8 s ARG 2115Cb -0.46 0.48 -0.06 0.00 -2.04 0.00 0.00 34.95 32.87 2du8 s ARG 2115CO 0.33 -0.78 0.88 0.15 -0.04 0.00 0.00 175.30 175.84 2du8 s LYS 2116N -3.25 3.75 0.03 3.89 -0.14 -1.26 -2.34 119.74 120.41 2du8 s LYS 2116Ca 0.26 0.61 -0.30 0.00 -1.36 0.00 0.00 55.97 55.18 2du8 s LYS 2116Cb -0.01 -2.26 -0.04 0.00 -1.68 0.00 0.00 37.83 33.84 2du8 s LYS 2116CO 0.15 -0.24 1.09 -0.51 -0.76 0.00 0.00 175.35 175.09 2du8 s LEU 2117N -4.33 4.37 0.68 3.17 1.43 -0.80 -4.70 118.68 118.50 2du8 s LEU 2117Ca 0.53 1.83 -0.14 0.00 -1.03 0.00 0.00 54.13 55.32 2du8 s LEU 2117Cb -0.10 -3.57 0.01 0.00 0.03 0.00 0.00 46.19 42.55 2du8 s LEU 2117CO 0.38 -0.37 1.11 0.42 0.23 0.00 0.00 176.35 178.12 2du8 s THR 2118N 1.08 3.18 0.24 5.49 -4.23 -1.26 -4.86 115.64 115.29 2du8 s THR 2118Ca 0.55 0.53 -0.04 0.00 -1.18 0.00 0.00 61.69 61.55 2du8 s THR 2118Cb -0.25 -3.04 0.21 0.00 1.34 0.00 0.00 72.50 70.76 2du8 s THR 2118CO 0.28 -0.36 1.77 1.55 -0.54 0.00 0.00 174.62 177.32 2du8 h PRO 2119N -0.15 0.59 -0.66 3.99 0.13 -1.99 -1.59 132.00 132.31 2du8 h PRO 2119Ca -0.46 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 64.64 2du8 h PRO 2119Cb 1.25 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 32.21 2du8 h PRO 2119CO 0.53 0.39 0.44 0.00 -0.23 0.00 0.00 178.00 179.13 2du8 h ARG 2120N 0.61 0.85 -0.27 0.86 2.47 -2.01 -2.31 114.38 114.59 2du8 h ARG 2120Ca 0.41 -0.05 -0.08 0.00 -1.26 0.00 0.00 59.98 58.99 2du8 h ARG 2120Cb 0.51 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.63 2du8 h ARG 2120CO -0.32 0.57 -0.15 0.93 0.56 0.00 0.00 179.97 181.55 2du8 h GLU 2121N 0.88 0.58 0.00 0.04 5.08 -1.67 -3.10 114.58 116.39 2du8 h GLU 2121Ca 0.25 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2du8 h GLU 2121Cb -0.08 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 2du8 h GLU 2121CO -0.06 0.84 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.66 2du8 h LEU 2122N 0.32 0.00 -0.39 1.33 3.38 -1.04 -2.18 115.31 116.73 2du8 h LEU 2122Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2du8 h LEU 2122Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2du8 h LEU 2122CO 0.04 0.06 0.00 0.47 0.09 0.00 0.00 178.44 179.10 2du8 n ASP 2123N -3.64 0.30 0.11 -0.43 8.00 -0.97 -1.03 116.55 118.88 2du8 n ASP 2123Ca -0.02 0.58 0.13 0.00 0.71 0.00 0.00 54.79 56.19 2du8 n ASP 2123Cb 0.16 -0.64 0.33 0.00 -0.02 0.00 0.00 41.12 40.95 2du8 n ASP 2123CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 2du8 h MET 2124N 0.00 0.00 -3.26 -1.24 2.86 -1.54 -3.40 114.93 108.35 2du8 h MET 2124Ca 0.00 0.00 -0.63 0.00 -2.06 0.00 0.00 59.70 57.01 2du8 h MET 2124Cb 0.24 0.00 -0.41 0.00 0.06 0.00 0.00 31.60 31.49 2du8 h MET 2124CO 0.00 0.00 -0.65 -0.06 1.06 0.00 0.00 176.91 177.26 2du8 s PHE 2125N -3.13 2.92 0.21 -0.22 0.08 -0.20 -4.99 117.98 112.65 2du8 s PHE 2125Ca 0.09 -3.02 -0.16 0.00 0.12 0.00 0.00 56.93 53.97 2du8 s PHE 2125Cb 0.12 -2.59 0.22 0.00 -0.57 0.00 0.00 43.02 40.19 2du8 s PHE 2125CO 0.63 -0.74 1.61 -1.35 -0.10 0.00 0.00 175.22 175.27 2du8 h PRO 2126N 6.46 -0.06 0.00 0.24 0.11 -1.79 -2.11 132.00 134.85 2du8 h PRO 2126Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 2du8 h PRO 2126Cb 0.89 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2du8 h PRO 2126CO 0.64 -0.04 0.00 -0.25 -0.21 0.00 0.00 178.00 178.14 2du8 n ASP 2127N -5.45 0.00 -4.16 -2.05 9.92 -1.26 -4.77 116.55 108.78 2du8 n ASP 2127Ca 0.07 -0.69 -0.24 0.00 -0.53 0.00 0.00 54.79 53.40 2du8 n ASP 2127Cb 0.35 -0.02 -0.15 0.00 -0.64 0.00 0.00 41.12 40.66 2du8 n ASP 2127CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 2du8 s TYR 2128N -2.04 1.52 -0.02 1.24 1.51 -0.79 -4.80 117.35 113.96 2du8 s TYR 2128Ca 0.35 -0.29 0.07 0.00 -1.01 0.00 0.00 57.07 56.19 2du8 s TYR 2128Cb 0.16 -0.98 -0.11 0.00 -0.11 0.00 0.00 41.96 40.93 2du8 s TYR 2128CO 0.28 -0.02 0.14 0.41 -1.11 0.00 0.00 175.55 175.24 2du8 n GLY 2129N 2.62 -0.34 3.17 0.71 0.00 -0.91 -4.85 105.19 105.59 2du8 n GLY 2129Ca -0.15 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.60 2du8 n GLY 2129CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2du8 s TYR 2130N -2.45 0.90 -1.73 1.61 5.04 -0.99 -5.03 117.35 114.71 2du8 s TYR 2130Ca -0.03 -1.03 0.00 0.00 -2.44 0.00 0.00 57.07 53.57 2du8 s TYR 2130Cb 0.04 -0.53 0.00 0.00 0.35 0.00 0.00 41.96 41.82 2du8 s TYR 2130CO 0.30 -0.28 0.00 0.41 -1.34 0.00 0.00 175.55 174.64 2du8 n GLY 2131N -0.08 -1.56 3.34 8.97 0.00 -1.26 -0.40 105.19 114.21 2du8 n GLY 2131Ca -0.10 -1.05 -0.18 0.00 0.00 0.00 0.00 46.02 44.69 2du8 n GLY 2131CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2du8 s TRP 2132N -2.39 1.63 -0.00 1.61 0.51 0.87 -1.90 118.94 119.26 2du8 s TRP 2132Ca 0.00 -0.82 0.00 0.00 -2.12 0.00 0.00 56.10 53.17 2du8 s TRP 2132Cb 0.00 -0.91 0.00 0.00 -0.81 0.00 0.00 33.47 31.75 2du8 s TRP 2132CO 0.00 0.09 -0.00 0.12 -0.51 0.00 0.00 176.95 176.65 2du8 s PHE 2133N -3.27 0.07 0.18 -1.98 5.36 -0.99 -1.18 117.98 116.18 2du8 s PHE 2133Ca 0.26 0.01 -0.23 0.00 -0.96 0.00 0.00 56.93 56.01 2du8 s PHE 2133Cb 0.04 -0.08 0.07 0.00 -0.34 0.00 0.00 43.02 42.71 2du8 s PHE 2133CO 0.08 -0.02 1.00 -3.38 -1.46 0.00 0.00 175.22 171.45 2du8 s HIS 2134N 0.16 -0.00 -0.10 10.12 -3.43 -0.97 -2.10 115.29 118.97 2du8 s HIS 2134Ca -0.01 -0.37 -0.00 0.00 -0.80 0.00 0.00 55.06 53.87 2du8 s HIS 2134Cb -0.02 0.68 -0.03 0.00 -1.43 0.00 0.00 32.58 31.78 2du8 s HIS 2134CO -0.00 -0.91 -0.07 0.99 -2.00 0.00 0.00 174.74 172.74 2du8 s THR 2135N -2.60 3.62 0.00 -5.38 2.01 -0.14 -1.49 115.64 111.66 2du8 s THR 2135Ca 0.18 -0.49 0.00 0.00 0.31 0.00 0.00 61.69 61.69 2du8 s THR 2135Cb -0.02 -2.51 0.00 0.00 0.01 0.00 0.00 72.50 69.98 2du8 s THR 2135CO 0.04 0.56 0.00 -0.24 -0.69 0.00 0.00 174.62 174.29 2du8 n SER 2136N 2.76 0.00 -3.97 3.53 2.88 0.15 -2.15 113.62 116.82 2du8 n SER 2136Ca -0.18 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.21 2du8 n SER 2136Cb 0.53 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.85 2du8 n SER 2136CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2du8 s LEU 2137N 0.00 2.04 -0.20 2.46 1.43 -1.26 -1.47 118.68 121.67 2du8 s LEU 2137Ca 0.00 -0.14 -0.05 0.00 -1.03 0.00 0.00 54.13 52.91 2du8 s LEU 2137Cb 0.00 -0.24 -0.02 0.00 0.03 0.00 0.00 46.19 45.95 2du8 s LEU 2137CO 0.00 0.03 -0.00 -0.63 0.23 0.00 0.00 176.35 175.98 2du8 s ILE 2138N -0.26 3.96 -0.55 -0.59 1.01 -0.42 -1.20 121.20 123.14 2du8 s ILE 2138Ca 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 60.65 60.33 2du8 s ILE 2138Cb -0.03 -2.79 0.14 0.00 0.01 0.00 0.00 42.46 39.80 2du8 s ILE 2138CO -0.00 0.43 0.34 -0.22 0.00 0.00 0.00 174.94 175.49 2du8 s LEU 2139N 0.98 5.01 0.00 2.97 2.96 -0.46 -2.20 118.68 127.93 2du8 s LEU 2139Ca 0.02 -2.71 -0.30 0.00 -0.22 0.00 0.00 54.13 50.91 2du8 s LEU 2139Cb -0.14 -1.79 -0.07 0.00 0.50 0.00 0.00 46.19 44.69 2du8 s LEU 2139CO 0.02 -0.37 1.60 -1.61 -1.32 0.00 0.00 176.35 174.67 2du8 s GLU 2140N 0.14 4.21 0.28 1.98 2.02 -0.50 -4.40 118.70 122.43 2du8 s GLU 2140Ca 0.15 2.20 0.03 0.00 0.02 0.00 0.00 54.97 57.37 2du8 s GLU 2140Cb -0.22 -3.77 0.40 0.00 0.10 0.00 0.00 34.13 30.64 2du8 s GLU 2140CO -0.03 -0.75 1.69 0.78 0.02 0.00 0.00 175.26 176.97 2du8 h GLY 2141N 9.26 0.43 0.59 -1.39 0.00 -1.75 -1.05 103.07 109.17 2du8 h GLY 2141Ca -0.40 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 46.54 2du8 h GLY 2141CO 0.94 0.35 -0.38 1.70 0.00 0.00 0.00 176.54 179.15 2du8 h LYS 2142N 0.34 -0.75 -0.37 4.80 3.64 -1.79 -0.95 116.57 121.49 2du8 h LYS 2142Ca 0.04 0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 2du8 h LYS 2142Cb 0.76 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 2du8 h LYS 2142CO 0.06 -0.50 0.20 -0.91 -2.27 0.00 0.00 179.45 176.03 2du8 h ASN 2143N -0.78 0.47 -0.89 4.20 4.21 -1.78 -2.94 115.58 118.07 2du8 h ASN 2143Ca -0.03 -0.09 0.07 0.00 1.21 0.00 0.00 56.30 57.46 2du8 h ASN 2143Cb 0.70 -0.12 -0.06 0.00 -1.12 0.00 0.00 38.32 37.72 2du8 h ASN 2143CO -0.07 0.43 0.55 0.22 -1.29 0.00 0.00 177.43 177.27 2du8 h TYR 2144N 0.48 1.02 -0.54 1.19 3.20 -1.09 -1.37 116.97 119.86 2du8 h TYR 2144Ca 0.13 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.95 2du8 h TYR 2144Cb 0.06 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 37.99 2du8 h TYR 2144CO -0.02 0.51 0.03 1.25 -1.64 0.00 0.00 178.16 178.28 2du8 h LEU 2145N 0.99 0.90 -0.31 2.82 5.85 -1.14 0.91 115.31 125.34 2du8 h LEU 2145Ca 0.39 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2du8 h LEU 2145Cb 0.20 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2du8 h LEU 2145CO -0.18 0.97 0.17 -0.61 -0.34 0.00 0.00 178.44 178.44 2du8 h GLN 2146N 0.80 0.44 -0.15 1.25 5.75 -1.26 -0.59 115.11 121.35 2du8 h GLN 2146Ca 0.16 -0.05 0.03 0.00 -0.15 0.00 0.00 58.65 58.63 2du8 h GLN 2146Cb 0.49 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.93 2du8 h GLN 2146CO 0.02 0.38 -0.04 2.35 -2.65 0.00 0.00 178.83 178.90 2du8 h TRP 2147N 0.38 -0.08 -0.50 3.99 7.01 -1.00 -2.06 115.95 123.68 2du8 h TRP 2147Ca 0.11 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.15 2du8 h TRP 2147Cb 0.07 0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 27.15 2du8 h TRP 2147CO -0.03 -0.06 0.28 -0.07 -2.79 0.00 0.00 178.44 175.77 2du8 h LEU 2148N 0.00 0.44 -0.31 0.65 3.38 -0.61 -1.43 115.31 117.43 2du8 h LEU 2148Ca 0.07 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.12 2du8 h LEU 2148Cb 0.11 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.70 2du8 h LEU 2148CO -0.15 0.31 -0.26 0.74 0.09 0.00 0.00 178.44 179.17 2du8 h THR 2149N 0.56 0.34 0.00 0.22 2.02 -0.85 0.18 112.91 115.38 2du8 h THR 2149Ca 0.21 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.33 2du8 h THR 2149Cb 0.06 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 2du8 h THR 2149CO -0.12 0.00 -0.28 1.05 0.37 0.00 0.00 175.52 176.55 2du8 h GLU 2150N -0.23 0.00 -0.16 6.66 4.11 -1.07 -0.99 114.58 122.89 2du8 h GLU 2150Ca 0.16 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.53 2du8 h GLU 2150Cb 0.48 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 2du8 h GLU 2150CO -0.45 0.28 -0.11 -0.09 0.07 0.00 0.00 179.01 178.71 2du8 h ARG 2151N 0.00 0.37 -0.18 1.06 9.65 -0.16 -2.68 114.38 122.43 2du8 h ARG 2151Ca -0.00 -0.18 -0.09 0.00 -1.10 0.00 0.00 59.98 58.61 2du8 h ARG 2151Cb 0.70 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.27 2du8 h ARG 2151CO 0.04 0.71 -0.29 -0.07 2.80 0.00 0.00 179.97 183.16 2du8 h LEU 2152N 0.02 0.36 -0.25 3.80 4.07 -0.45 -3.14 115.31 119.72 2du8 h LEU 2152Ca 0.03 -0.12 -0.06 0.00 0.08 0.00 0.00 57.88 57.81 2du8 h LEU 2152Cb 0.62 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.25 2du8 h LEU 2152CO 0.03 0.64 -0.09 0.74 -1.08 0.00 0.00 178.44 178.68 2du8 h THR 2153N 0.31 1.29 0.00 0.22 2.02 -1.19 -1.44 112.91 114.13 2du8 h THR 2153Ca 0.04 -1.13 0.00 0.00 0.77 0.00 0.00 66.41 66.09 2du8 h THR 2153Cb 0.67 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 2du8 h THR 2153CO 0.05 0.35 0.00 -1.84 0.37 0.00 0.00 175.52 174.45 2du8 n GLU 2154N -4.52 0.12 -0.14 6.66 0.28 -1.01 -1.90 120.64 120.13 2du8 n GLU 2154Ca -0.04 0.21 0.10 0.00 -0.16 0.00 0.00 57.16 57.27 2du8 n GLU 2154Cb 0.32 -1.50 0.16 0.00 1.43 0.00 0.00 31.44 31.86 2du8 n GLU 2154CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2du8 n ARG 2155N -1.31 2.20 -0.46 3.44 1.74 -0.59 -4.97 116.66 116.71 2du8 n ARG 2155Ca 0.04 -2.03 0.00 0.00 -0.77 0.00 0.00 57.85 55.09 2du8 n ARG 2155Cb 0.08 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 2du8 n ARG 2155CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2du8 n GLY 2156N 1.20 1.18 3.70 -0.13 0.00 -0.80 -5.03 105.19 105.31 2du8 n GLY 2156Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2du8 n GLY 2156CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2du8 s VAL 2157N -3.12 2.79 0.09 1.61 1.01 -0.94 -4.89 120.40 116.96 2du8 s VAL 2157Ca 0.00 0.34 -0.02 0.00 0.00 0.00 0.00 61.98 62.30 2du8 s VAL 2157Cb 0.00 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 2du8 s VAL 2157CO 0.00 0.00 0.27 -0.54 0.00 0.00 0.00 175.10 174.83 2du8 s LYS 2158N 2.38 3.50 -0.03 2.72 1.02 -1.13 -4.48 119.74 123.72 2du8 s LYS 2158Ca 0.75 -0.31 0.07 0.00 0.02 0.00 0.00 55.97 56.50 2du8 s LYS 2158Cb -0.42 -2.97 -0.02 0.00 -0.52 0.00 0.00 37.83 33.89 2du8 s LYS 2158CO 0.33 0.56 -0.24 -0.06 -0.92 0.00 0.00 175.35 175.03 2du8 s PHE 2159N -1.56 2.41 -0.02 3.18 0.08 -1.26 -0.78 117.98 120.03 2du8 s PHE 2159Ca 0.37 -0.39 0.02 0.00 0.12 0.00 0.00 56.93 57.05 2du8 s PHE 2159Cb -0.13 -1.53 0.00 0.00 -0.57 0.00 0.00 43.02 40.80 2du8 s PHE 2159CO 0.27 0.00 -0.06 -0.06 -0.10 0.00 0.00 175.22 175.27 2du8 s PHE 2160N -0.63 0.66 -0.83 0.36 0.40 -0.11 -4.96 117.98 112.88 2du8 s PHE 2160Ca 0.10 -0.14 -0.17 0.00 -0.60 0.00 0.00 56.93 56.12 2du8 s PHE 2160Cb -0.10 -0.48 0.16 0.00 0.51 0.00 0.00 43.02 43.11 2du8 s PHE 2160CO -0.01 -0.07 0.92 -1.14 0.70 0.00 0.00 175.22 175.62 2du8 s GLN 2161N 0.18 3.51 0.03 0.44 -0.44 -1.26 -1.87 119.66 120.24 2du8 s GLN 2161Ca -0.02 -1.95 -0.16 0.00 -2.50 0.00 0.00 55.36 50.72 2du8 s GLN 2161Cb -0.07 -4.61 0.03 0.00 -1.64 0.00 0.00 33.01 26.72 2du8 s GLN 2161CO -0.00 -1.55 0.35 -0.98 0.50 0.00 0.00 175.29 173.62 2du8 s ARG 2162N 1.72 0.82 -0.26 1.67 1.70 0.18 -4.95 118.95 119.82 2du8 s ARG 2162Ca 0.23 -0.35 -0.11 0.00 -0.47 0.00 0.00 55.73 55.04 2du8 s ARG 2162Cb -0.10 0.36 -0.05 0.00 -0.57 0.00 0.00 34.95 34.59 2du8 s ARG 2162CO -0.07 -0.26 0.18 0.21 -1.08 0.00 0.00 175.30 174.29 2du8 s LYS 2163N -2.16 4.02 -0.10 3.89 2.20 -1.26 -2.81 119.74 123.52 2du8 s LYS 2163Ca -0.07 -0.28 -0.24 0.00 -0.36 0.00 0.00 55.97 55.02 2du8 s LYS 2163Cb -0.02 -3.60 -0.03 0.00 -1.51 0.00 0.00 37.83 32.67 2du8 s LYS 2163CO -0.01 -0.06 0.72 0.08 -0.36 0.00 0.00 175.35 175.73 2du8 s VAL 2164N 1.40 5.01 -0.02 4.02 1.01 -1.26 -4.97 120.40 125.59 2du8 s VAL 2164Ca 0.08 1.46 0.06 0.00 0.00 0.00 0.00 61.98 63.58 2du8 s VAL 2164Cb -0.15 -4.05 -0.24 0.00 0.00 0.00 0.00 36.38 31.94 2du8 s VAL 2164CO 0.08 0.19 0.76 -0.33 0.00 0.00 0.00 175.10 175.79 2du8 h GLU 2165N 6.97 0.09 -2.84 2.72 4.39 -1.97 -3.48 114.58 120.45 2du8 h GLU 2165Ca -0.37 -0.15 0.05 0.00 0.34 0.00 0.00 59.36 59.23 2du8 h GLU 2165Cb 1.18 0.06 -0.09 0.00 -0.10 0.00 0.00 28.75 29.79 2du8 h GLU 2165CO 0.77 0.79 0.28 -1.54 -1.16 0.00 0.00 179.01 178.16 2du8 s SER 2166N -6.49 -0.39 0.20 1.42 1.04 -1.26 -4.80 113.70 103.41 2du8 s SER 2166Ca -0.07 -0.27 -0.08 0.00 0.48 0.00 0.00 55.95 56.01 2du8 s SER 2166Cb 0.08 0.61 0.11 0.00 0.10 0.00 0.00 66.02 66.92 2du8 s SER 2166CO 0.82 -1.06 1.68 -0.26 0.98 0.00 0.00 173.24 175.41 2du8 h PHE 2167N 2.00 1.16 -0.38 5.02 0.04 -1.94 -3.18 116.94 119.66 2du8 h PHE 2167Ca -0.26 -0.17 0.08 0.00 2.80 0.00 0.00 57.97 60.42 2du8 h PHE 2167Cb 1.27 -0.31 -0.08 0.00 2.20 0.00 0.00 35.95 39.03 2du8 h PHE 2167CO 0.32 0.99 -0.12 0.93 -0.60 0.00 0.00 178.31 179.83 2du8 h GLU 2168N 1.01 -0.04 -0.93 1.51 4.39 -1.98 0.16 114.58 118.70 2du8 h GLU 2168Ca 0.19 0.00 0.27 0.00 0.34 0.00 0.00 59.36 60.16 2du8 h GLU 2168Cb 0.48 0.01 -0.16 0.00 -0.10 0.00 0.00 28.75 28.97 2du8 h GLU 2168CO 0.02 -0.03 0.16 1.49 -1.16 0.00 0.00 179.01 179.49 2du8 h GLU 2169N -0.04 0.09 0.03 2.33 4.81 -1.97 0.53 114.58 120.36 2du8 h GLU 2169Ca 0.18 -0.01 -0.21 0.00 -0.13 0.00 0.00 59.36 59.20 2du8 h GLU 2169Cb 0.32 -0.02 0.02 0.00 0.63 0.00 0.00 28.75 29.70 2du8 h GLU 2169CO -0.41 0.06 -0.83 0.28 -0.73 0.00 0.00 179.01 177.37 2du8 h VAL 2170N 0.09 1.38 -0.51 0.32 2.07 -0.86 -3.12 116.25 115.62 2du8 h VAL 2170Ca 0.60 -2.23 -0.05 0.00 0.82 0.00 0.00 66.70 65.84 2du8 h VAL 2170Cb 1.26 2.62 -0.02 0.00 -1.52 0.00 0.00 31.29 33.63 2du8 h VAL 2170CO -0.79 0.66 0.12 0.00 0.02 0.00 0.00 177.57 177.58 2du8 h ALA 2171N 0.31 1.26 -0.50 1.67 0.00 -0.35 -2.70 119.26 118.94 2du8 h ALA 2171Ca -0.11 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.61 2du8 h ALA 2171Cb 1.54 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 2du8 h ALA 2171CO 0.16 0.52 0.33 -0.09 0.00 0.00 0.00 179.25 180.17 2du8 h ARG 2172N 0.75 0.64 -0.29 0.00 9.65 0.07 -2.23 114.38 122.97 2du8 h ARG 2172Ca 0.17 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.01 2du8 h ARG 2172Cb 0.28 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.72 2du8 h ARG 2172CO -0.00 0.42 0.00 -0.85 2.80 0.00 0.00 179.97 182.34 2du8 n GLU 2173N -4.46 1.86 0.00 0.20 0.28 -1.03 -4.92 120.64 112.57 2du8 n GLU 2173Ca 0.05 -1.31 0.00 0.00 -0.16 0.00 0.00 57.16 55.74 2du8 n GLU 2173Cb 0.06 -1.36 0.00 0.00 1.43 0.00 0.00 31.44 31.58 2du8 n GLU 2173CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2du8 n GLY 2174N 1.15 1.33 3.72 -1.84 0.00 -0.84 -5.09 105.19 103.61 2du8 n GLY 2174Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2du8 n GLY 2174CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2du8 s ALA 2175N -2.00 3.42 -0.07 4.61 0.00 -1.17 -4.75 121.76 121.80 2du8 s ALA 2175Ca 0.00 0.89 -0.08 0.00 0.00 0.00 0.00 51.96 52.77 2du8 s ALA 2175Cb 0.00 -3.45 -0.29 0.00 0.00 0.00 0.00 23.12 19.39 2du8 s ALA 2175CO 0.00 -0.43 0.57 -0.44 0.00 0.00 0.00 175.76 175.46 2du8 h ASP 2176N 6.48 0.51 -3.74 0.00 5.19 -1.21 -3.44 116.42 120.22 2du8 h ASP 2176Ca -0.42 -0.89 -0.48 0.00 -0.62 0.00 0.00 57.03 54.61 2du8 h ASP 2176Cb 1.21 -0.17 -0.32 0.00 0.18 0.00 0.00 39.33 40.24 2du8 h ASP 2176CO 0.80 1.77 -0.81 -0.69 -3.12 0.00 0.00 179.24 177.20 2du8 s VAL 2177N -2.57 1.03 -0.24 -1.35 1.01 -1.02 -3.31 120.40 113.95 2du8 s VAL 2177Ca -0.17 -0.48 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 2du8 s VAL 2177Cb 0.06 -0.92 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 2du8 s VAL 2177CO 0.82 0.32 -0.00 -0.63 0.00 0.00 0.00 175.10 175.60 2du8 s ILE 2178N 0.29 3.60 -0.26 2.22 1.01 0.07 -1.54 121.20 126.58 2du8 s ILE 2178Ca -0.06 -0.50 -0.11 0.00 0.00 0.00 0.00 60.65 59.98 2du8 s ILE 2178Cb -0.11 -2.69 -0.05 0.00 0.01 0.00 0.00 42.46 39.61 2du8 s ILE 2178CO 0.02 0.34 0.17 -0.69 0.00 0.00 0.00 174.94 174.78 2du8 s VAL 2179N 1.50 5.27 -0.54 2.92 1.01 -0.21 -0.04 120.40 130.31 2du8 s VAL 2179Ca 0.05 0.15 -0.10 0.00 0.00 0.00 0.00 61.98 62.08 2du8 s VAL 2179Cb -0.15 -3.49 0.14 0.00 0.00 0.00 0.00 36.38 32.88 2du8 s VAL 2179CO -0.01 0.29 0.44 0.21 0.00 0.00 0.00 175.10 176.02 2du8 s ASN 2180N 1.51 5.88 -0.47 3.32 2.47 0.33 -1.29 114.94 126.69 2du8 s ASN 2180Ca 0.07 -2.07 0.08 0.00 0.42 0.00 0.00 52.86 51.36 2du8 s ASN 2180Cb -0.15 -2.06 0.38 0.00 -1.45 0.00 0.00 41.25 37.97 2du8 s ASN 2180CO 0.08 -0.68 0.97 0.00 -3.72 0.00 0.00 177.10 173.75 2du8 n THR 2182N -0.23 0.26 -3.75 0.00 -2.24 -1.24 -4.15 114.28 102.93 2du8 n THR 2182Ca 0.30 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2du8 n THR 2182Cb 0.57 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 2du8 n THR 2182CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2du8 n GLY 2183N 1.35 3.03 0.29 3.38 0.00 -1.26 -2.66 105.19 109.32 2du8 n GLY 2183Ca 0.17 -0.30 0.12 0.00 0.00 0.00 0.00 46.02 46.01 2du8 n GLY 2183CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2du8 h VAL 2184N 0.00 0.86 -0.07 1.61 3.04 -1.90 -1.76 116.25 118.02 2du8 h VAL 2184Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2du8 h VAL 2184Cb 0.00 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 30.21 2du8 h VAL 2184CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.57 177.35 2du8 n TRP 2185N -4.39 0.09 -0.13 3.17 8.01 -1.09 -4.27 117.44 118.84 2du8 n TRP 2185Ca 0.00 -0.05 0.15 0.00 -1.31 0.00 0.00 57.50 56.30 2du8 n TRP 2185Cb 0.22 0.00 0.53 0.00 -2.01 0.00 0.00 31.31 30.04 2du8 n TRP 2185CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2du8 h ALA 2186N 3.40 2.15 0.00 6.99 0.00 -1.38 -1.91 119.26 128.51 2du8 h ALA 2186Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2du8 h ALA 2186Cb 0.12 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2du8 h ALA 2186CO 0.00 -0.33 -0.01 0.78 0.00 0.00 0.00 179.25 179.69 2du8 h GLY 2187N 0.36 0.00 2.00 0.00 0.00 -1.74 -1.44 103.07 102.25 2du8 h GLY 2187Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 2du8 h GLY 2187CO -0.09 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.45 2du8 h ALA 2188N 1.99 1.00 0.01 3.60 0.00 -1.69 -3.11 119.26 121.06 2du8 h ALA 2188Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.55 2du8 h ALA 2188Cb 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 2du8 h ALA 2188CO 0.00 0.00 -2.24 1.28 0.00 0.00 0.00 179.25 178.29 2du8 n LEU 2189N -2.70 1.24 -3.60 0.00 4.77 -0.56 -4.91 117.00 111.23 2du8 n LEU 2189Ca 0.02 0.06 -0.09 0.00 -0.03 0.00 0.00 56.01 55.97 2du8 n LEU 2189Cb 0.29 -0.11 -0.10 0.00 -2.33 0.00 0.00 43.42 41.17 2du8 n LEU 2189CO 0.24 0.63 -0.01 -1.58 -1.33 0.00 0.00 177.39 175.35 2du8 s GLN 2190N -2.53 0.30 0.03 3.23 0.74 -1.10 -4.73 119.66 115.61 2du8 s GLN 2190Ca -0.17 0.91 -0.35 0.00 0.05 0.00 0.00 55.36 55.81 2du8 s GLN 2190Cb 0.07 0.15 -0.14 0.00 1.10 0.00 0.00 33.01 34.19 2du8 s GLN 2190CO 0.76 -0.32 1.67 -2.13 -0.55 0.00 0.00 175.29 174.71 2du8 n ARG 2191N 5.38 1.95 -3.51 1.67 0.00 -1.18 -4.20 116.66 116.77 2du8 n ARG 2191Ca -0.07 0.71 -0.26 0.00 -0.00 0.00 0.00 57.85 58.22 2du8 n ARG 2191Cb 0.50 -2.48 -0.14 0.00 0.00 0.00 0.00 32.46 30.34 2du8 n ARG 2191CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2du8 s ASP 2192N 2.16 3.09 0.13 6.15 -1.08 -1.26 -5.02 116.67 120.84 2du8 s ASP 2192Ca 0.86 -1.15 0.20 0.00 -0.52 0.00 0.00 52.55 51.93 2du8 s ASP 2192Cb -0.75 -0.15 0.83 0.00 -1.46 0.00 0.00 42.92 41.39 2du8 s ASP 2192CO 0.46 -0.43 1.62 -0.81 0.52 0.00 0.00 175.17 176.53 2du8 n PRO 2193N 5.26 0.11 0.09 4.34 -0.04 -1.26 -2.47 135.00 141.03 2du8 n PRO 2193Ca -0.05 0.32 0.13 0.00 -0.04 0.00 0.00 63.50 63.86 2du8 n PRO 2193Cb 0.43 -1.69 0.42 0.00 -0.04 0.00 0.00 33.50 32.61 2du8 n PRO 2193CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2du8 n LEU 2194N -1.89 0.74 -4.68 1.53 4.77 -1.26 -4.80 117.00 111.41 2du8 n LEU 2194Ca 0.03 0.56 -0.37 0.00 -0.03 0.00 0.00 56.01 56.20 2du8 n LEU 2194Cb 0.22 -0.33 -0.08 0.00 -2.33 0.00 0.00 43.42 40.90 2du8 n LEU 2194CO 0.18 -0.16 -0.01 -0.22 -1.33 0.00 0.00 177.39 175.85 2du8 s LEU 2195N -4.39 4.17 0.07 2.23 2.96 -1.03 -4.14 118.68 118.54 2du8 s LEU 2195Ca 0.11 0.40 -0.07 0.00 -0.22 0.00 0.00 54.13 54.35 2du8 s LEU 2195Cb 0.13 -2.36 -0.01 0.00 0.50 0.00 0.00 46.19 44.44 2du8 s LEU 2195CO 0.60 0.01 0.13 0.00 -1.32 0.00 0.00 176.35 175.76 2du8 s GLN 2196N 1.02 0.73 0.11 1.98 -2.07 0.74 -4.99 119.66 117.19 2du8 s GLN 2196Ca 0.15 -0.93 -0.30 0.00 -1.82 0.00 0.00 55.36 52.45 2du8 s GLN 2196Cb -0.14 0.29 -0.07 0.00 -1.09 0.00 0.00 33.01 32.00 2du8 s GLN 2196CO 0.06 -0.21 1.20 -2.14 -1.32 0.00 0.00 175.29 172.88 2du8 s PRO 2197N -3.49 4.46 -0.99 9.60 0.02 -1.26 -0.96 135.00 142.38 2du8 s PRO 2197Ca 0.02 1.81 -0.04 0.00 0.02 0.00 0.00 61.00 62.81 2du8 s PRO 2197Cb 0.04 -3.31 0.25 0.00 0.02 0.00 0.00 34.50 31.50 2du8 s PRO 2197CO -0.09 -0.19 0.94 0.41 -0.33 0.00 0.00 177.00 177.75 2du8 n GLY 2198N 2.83 4.21 3.70 0.52 0.00 -0.19 -0.73 105.19 115.53 2du8 n GLY 2198Ca 0.07 -2.60 -0.42 0.00 0.00 0.00 0.00 46.02 43.07 2du8 n GLY 2198CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2du8 s ARG 2199N -1.44 4.16 0.31 1.61 3.52 -1.05 -1.54 118.95 124.52 2du8 s ARG 2199Ca 0.29 2.50 0.11 0.00 -0.13 0.00 0.00 55.73 58.51 2du8 s ARG 2199Cb -0.07 -3.50 -0.06 0.00 -1.56 0.00 0.00 34.95 29.76 2du8 s ARG 2199CO -0.10 -0.78 -0.15 0.20 -0.81 0.00 0.00 175.30 173.66 2du8 s GLY 2200N 2.32 2.03 -0.05 8.12 0.00 -0.33 -0.97 107.32 118.45 2du8 s GLY 2200Ca 0.77 -1.98 -0.04 0.00 0.00 0.00 0.00 44.72 43.48 2du8 s GLY 2200CO 0.34 -2.00 0.12 1.62 0.00 0.00 0.00 173.10 173.18 2du8 s GLN 2201N -3.56 0.13 0.24 2.90 0.74 -1.26 -1.39 119.66 117.47 2du8 s GLN 2201Ca 0.31 0.18 0.01 0.00 0.05 0.00 0.00 55.36 55.92 2du8 s GLN 2201Cb -0.02 0.05 -0.05 0.00 1.10 0.00 0.00 33.01 34.09 2du8 s GLN 2201CO 0.16 -0.03 0.07 0.96 -0.55 0.00 0.00 175.29 175.90 2du8 s ILE 2202N 0.15 0.61 -0.08 -2.34 -4.36 -0.62 -4.40 121.20 110.16 2du8 s ILE 2202Ca -0.01 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.39 2du8 s ILE 2202Cb -0.02 -2.52 0.02 0.00 1.25 0.00 0.00 42.46 41.19 2du8 s ILE 2202CO -0.00 -0.11 -0.08 -0.32 0.24 0.00 0.00 174.94 174.66 2du8 s MET 2203N -4.00 1.42 -0.22 0.37 1.75 -0.30 -2.27 119.30 116.04 2du8 s MET 2203Ca 0.35 -0.27 -0.17 0.00 -1.25 0.00 0.00 55.69 54.34 2du8 s MET 2203Cb 0.07 -1.34 -0.03 0.00 2.84 0.00 0.00 34.83 36.37 2du8 s MET 2203CO 0.11 -0.12 0.47 0.15 -0.65 0.00 0.00 175.02 174.98 2du8 s LYS 2204N 1.15 4.14 0.26 4.11 -0.14 0.12 -0.78 119.74 128.60 2du8 s LYS 2204Ca -0.06 0.29 0.10 0.00 -1.36 0.00 0.00 55.97 54.94 2du8 s LYS 2204Cb -0.14 -3.59 -0.05 0.00 -1.68 0.00 0.00 37.83 32.37 2du8 s LYS 2204CO -0.02 -0.18 -0.17 0.54 -0.76 0.00 0.00 175.35 174.76 2du8 s VAL 2205N 1.76 2.20 -0.76 3.17 0.11 0.69 0.17 120.40 127.74 2du8 s VAL 2205Ca 0.21 -2.32 -0.10 0.00 -2.93 0.00 0.00 61.98 56.84 2du8 s VAL 2205Cb -0.15 -2.27 0.20 0.00 -1.53 0.00 0.00 36.38 32.63 2du8 s VAL 2205CO 0.09 -0.43 0.65 -0.62 -3.33 0.00 0.00 175.10 171.46 2du8 s ASP 2206N -3.46 6.19 -0.47 3.54 -1.08 0.33 -0.39 116.67 121.32 2du8 s ASP 2206Ca 0.28 -2.79 0.07 0.00 -0.52 0.00 0.00 52.55 49.59 2du8 s ASP 2206Cb -0.03 -2.07 0.25 0.00 -1.46 0.00 0.00 42.92 39.61 2du8 s ASP 2206CO 0.13 -0.48 0.61 0.00 0.52 0.00 0.00 175.17 175.94 2du8 n ALA 2207N 3.73 2.99 0.97 3.66 0.00 -1.26 -4.04 120.51 126.55 2du8 n ALA 2207Ca 0.12 -3.87 0.04 0.00 0.00 0.00 0.00 53.44 49.74 2du8 n ALA 2207Cb 0.43 -0.84 0.25 0.00 0.00 0.00 0.00 19.45 19.29 2du8 n ALA 2207CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2du8 n PRO 2208N 1.17 0.49 0.08 0.00 -0.04 -1.26 -1.88 135.00 133.55 2du8 n PRO 2208Ca 0.24 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.82 2du8 n PRO 2208Cb 0.49 -1.27 0.09 0.00 -0.04 0.00 0.00 33.50 32.77 2du8 n PRO 2208CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 2du8 h TRP 2209N 0.00 0.00 -2.66 0.54 0.09 -2.02 -3.45 115.95 108.44 2du8 h TRP 2209Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 58.89 58.41 2du8 h TRP 2209Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.16 29.22 2du8 h TRP 2209CO 0.00 0.00 1.18 -1.64 0.09 0.00 0.00 178.44 178.07 2du8 s MET 2210N -3.25 3.72 0.00 0.12 1.00 -0.79 -4.88 119.30 115.23 2du8 s MET 2210Ca 0.03 1.74 0.14 0.00 0.00 0.00 0.00 55.69 57.60 2du8 s MET 2210Cb 0.12 -4.09 0.07 0.00 0.00 0.00 0.00 34.83 30.92 2du8 s MET 2210CO 0.75 -1.39 0.86 1.63 0.00 0.00 0.00 175.02 176.88 2du8 n LYS 2211N 7.82 1.29 -4.24 2.03 4.76 -1.26 -4.79 118.16 123.76 2du8 n LYS 2211Ca 0.20 -1.09 -0.19 0.00 -2.87 0.00 0.00 58.31 54.36 2du8 n LYS 2211Cb 0.45 -1.23 -0.11 0.00 -1.84 0.00 0.00 35.03 32.29 2du8 n LYS 2211CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 2du8 s HIS 2212N -1.34 1.44 0.35 2.13 3.76 -1.26 -4.55 115.29 115.83 2du8 s HIS 2212Ca 0.14 -0.51 -0.13 0.00 -0.15 0.00 0.00 55.06 54.41 2du8 s HIS 2212Cb 0.11 -0.77 -0.08 0.00 1.11 0.00 0.00 32.58 32.96 2du8 s HIS 2212CO 0.23 0.15 0.74 -0.59 -0.85 0.00 0.00 174.74 174.42 2du8 s PHE 2213N -1.85 3.42 -0.18 1.40 -0.12 -0.74 -4.46 117.98 115.44 2du8 s PHE 2213Ca 0.07 1.12 -0.04 0.00 -0.05 0.00 0.00 56.93 58.03 2du8 s PHE 2213Cb -0.07 -2.48 0.06 0.00 -0.63 0.00 0.00 43.02 39.91 2du8 s PHE 2213CO 0.03 0.02 0.07 0.42 -0.05 0.00 0.00 175.22 175.71 2du8 s ILE 2214N -2.14 0.11 -0.20 -4.49 1.01 0.02 -0.50 121.20 115.00 2du8 s ILE 2214Ca 0.52 -0.29 -0.07 0.00 0.00 0.00 0.00 60.65 60.81 2du8 s ILE 2214Cb -0.10 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.61 2du8 s ILE 2214CO 0.24 -0.26 0.05 -0.76 0.00 0.00 0.00 174.94 174.21 2du8 s LEU 2215N 2.05 3.61 0.22 2.97 1.43 0.13 -1.37 118.68 127.72 2du8 s LEU 2215Ca 0.01 -0.05 0.06 0.00 -1.03 0.00 0.00 54.13 53.12 2du8 s LEU 2215Cb -0.16 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 2du8 s LEU 2215CO -0.09 0.10 0.24 0.42 0.23 0.00 0.00 176.35 177.25 2du8 s THR 2216N 0.82 4.77 0.06 5.49 -4.23 -0.92 0.62 115.64 122.26 2du8 s THR 2216Ca 0.03 -1.16 0.01 0.00 -1.18 0.00 0.00 61.69 59.38 2du8 s THR 2216Cb -0.14 -3.55 -0.03 0.00 1.34 0.00 0.00 72.50 70.12 2du8 s THR 2216CO 0.02 -0.28 -0.06 -1.00 -0.54 0.00 0.00 174.62 172.77 2du8 s HIS 2217N -1.99 0.67 -0.27 3.99 0.09 -0.43 -4.61 115.29 112.75 2du8 s HIS 2217Ca 0.33 -0.82 -0.05 0.00 -0.00 0.00 0.00 55.06 54.52 2du8 s HIS 2217Cb -0.09 -0.42 0.14 0.00 -0.00 0.00 0.00 32.58 32.21 2du8 s HIS 2217CO 0.26 -0.20 0.55 0.34 -0.00 0.00 0.00 174.74 175.70 2du8 s ASP 2218N -2.50 -0.87 0.30 1.40 -1.08 -1.26 -4.37 116.67 108.29 2du8 s ASP 2218Ca 0.03 1.06 0.01 0.00 -0.52 0.00 0.00 52.55 53.12 2du8 s ASP 2218Cb 0.01 1.93 0.49 0.00 -1.46 0.00 0.00 42.92 43.88 2du8 s ASP 2218CO -0.04 -0.25 1.85 1.55 0.52 0.00 0.00 175.17 178.80 2du8 h PRO 2219N 8.06 0.70 -0.89 4.34 0.13 -2.01 -2.06 132.00 140.27 2du8 h PRO 2219Ca -0.19 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2du8 h PRO 2219Cb 1.13 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2du8 h PRO 2219CO 0.18 0.66 0.00 0.39 -0.23 0.00 0.00 178.00 179.00 2du8 n GLU 2220N -4.28 0.73 0.00 0.86 -0.58 -1.26 -3.04 120.64 113.07 2du8 n GLU 2220Ca 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 2du8 n GLU 2220Cb 0.23 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 29.80 2du8 n GLU 2220CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2du8 n ARG 2221N 0.28 0.00 0.00 3.49 3.00 -1.12 -5.18 116.66 117.12 2du8 n ARG 2221Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2du8 n ARG 2221Cb 0.24 -0.20 0.00 0.00 0.00 0.00 0.00 32.46 32.50 2du8 n ARG 2221CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2du8 n GLY 2222N -0.18 1.83 3.69 5.14 0.00 -0.79 -4.70 105.19 110.19 2du8 n GLY 2222Ca 0.00 -2.00 -0.44 0.00 0.00 0.00 0.00 46.02 43.58 2du8 n GLY 2222CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2du8 n ILE 2223N 1.39 0.14 -3.69 -0.61 0.13 -1.26 -2.43 119.36 113.03 2du8 n ILE 2223Ca 0.00 -0.02 -0.28 0.00 -1.10 0.00 0.00 62.75 61.35 2du8 n ILE 2223Cb 0.00 -1.83 0.02 0.00 -0.84 0.00 0.00 39.64 36.99 2du8 n ILE 2223CO 0.00 0.00 0.00 -1.22 2.80 0.00 0.00 176.55 178.13 2du8 n TYR 2224N 4.39 -2.15 -0.32 9.51 4.01 -1.26 -4.71 117.16 126.62 2du8 n TYR 2224Ca 0.17 0.76 0.05 0.00 -0.16 0.00 0.00 57.90 58.72 2du8 n TYR 2224Cb 0.32 -3.80 0.13 0.00 -0.31 0.00 0.00 39.34 35.68 2du8 n TYR 2224CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2du8 n ASN 2225N -2.67 2.78 -4.45 7.72 3.02 -1.02 -2.07 115.26 118.57 2du8 n ASN 2225Ca 0.01 -2.24 -0.29 0.00 -0.03 0.00 0.00 54.58 52.03 2du8 n ASN 2225Cb 0.54 -0.23 -0.12 0.00 -0.61 0.00 0.00 39.78 39.36 2du8 n ASN 2225CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2du8 s SER 2226N -1.29 3.68 0.44 6.41 0.15 -1.25 -4.77 113.70 117.06 2du8 s SER 2226Ca 0.20 -0.64 -0.25 0.00 0.70 0.00 0.00 55.95 55.96 2du8 s SER 2226Cb 0.13 -0.42 -0.09 0.00 -1.71 0.00 0.00 66.02 63.93 2du8 s SER 2226CO 0.09 0.17 1.26 -0.81 1.20 0.00 0.00 173.24 175.16 2du8 n PRO 2227N 0.79 1.87 -3.87 5.44 -0.04 -1.26 -4.07 135.00 133.85 2du8 n PRO 2227Ca -0.16 0.67 -0.11 0.00 -0.04 0.00 0.00 63.50 63.85 2du8 n PRO 2227Cb 0.53 -2.39 -0.10 0.00 -0.04 0.00 0.00 33.50 31.50 2du8 n PRO 2227CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2du8 s TYR 2228N -1.22 0.03 -0.11 0.54 -0.85 -0.79 -2.15 117.35 112.80 2du8 s TYR 2228Ca 0.62 -0.11 -0.00 0.00 -0.52 0.00 0.00 57.07 57.06 2du8 s TYR 2228Cb -0.50 -0.04 0.02 0.00 0.38 0.00 0.00 41.96 41.82 2du8 s TYR 2228CO 0.57 -0.28 -0.07 0.42 -1.52 0.00 0.00 175.55 174.67 2du8 s ILE 2229N -1.32 0.99 -0.25 -3.49 1.01 -0.47 -1.43 121.20 116.24 2du8 s ILE 2229Ca -0.14 -0.27 -0.01 0.00 0.00 0.00 0.00 60.65 60.24 2du8 s ILE 2229Cb -0.07 -1.01 0.08 0.00 0.01 0.00 0.00 42.46 41.46 2du8 s ILE 2229CO 0.01 0.36 0.03 -0.63 0.00 0.00 0.00 174.94 174.72 2du8 s ILE 2230N 1.69 1.00 0.17 2.92 1.01 0.35 -0.80 121.20 127.54 2du8 s ILE 2230Ca 0.04 -1.10 -0.31 0.00 0.00 0.00 0.00 60.65 59.28 2du8 s ILE 2230Cb -0.13 -1.53 -0.10 0.00 0.01 0.00 0.00 42.46 40.72 2du8 s ILE 2230CO -0.08 -0.35 1.52 -2.84 0.00 0.00 0.00 174.94 173.19 2du8 s PRO 2231N 1.61 4.24 0.00 2.79 0.02 -1.26 -0.06 135.00 142.34 2du8 s PRO 2231Ca 0.02 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.33 2du8 s PRO 2231Cb -0.18 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.18 2du8 s PRO 2231CO -0.13 -0.55 0.00 0.41 -0.33 0.00 0.00 177.00 176.40 2du8 n GLY 2232N 3.51 2.91 0.07 0.52 0.00 0.21 -4.89 105.19 107.53 2du8 n GLY 2232Ca 0.12 -2.07 -0.13 0.00 0.00 0.00 0.00 46.02 43.95 2du8 n GLY 2232CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2du8 h THR 2233N 0.06 1.42 0.00 2.61 1.03 -1.96 -3.38 112.91 112.69 2du8 h THR 2233Ca 0.00 -1.64 0.00 0.00 -0.01 0.00 0.00 66.41 64.76 2du8 h THR 2233Cb 0.00 2.49 0.00 0.00 -1.07 0.00 0.00 68.15 69.57 2du8 h THR 2233CO 0.00 0.40 -1.76 0.00 -0.01 0.00 0.00 175.52 174.15 2du8 n GLN 2234N -4.76 0.58 -3.97 0.00 1.13 -1.26 -5.05 117.38 104.05 2du8 n GLN 2234Ca -0.09 -0.15 -0.09 0.00 -1.94 0.00 0.00 57.00 54.73 2du8 n GLN 2234Cb 0.34 -1.42 -0.04 0.00 0.11 0.00 0.00 30.24 29.23 2du8 n GLN 2234CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 2du8 s THR 2235N -3.21 0.00 -0.15 5.09 -1.32 -1.26 -4.96 115.64 109.83 2du8 s THR 2235Ca -0.06 -1.32 -0.02 0.00 -1.21 0.00 0.00 61.69 59.08 2du8 s THR 2235Cb 0.11 -2.17 -0.02 0.00 -1.51 0.00 0.00 72.50 68.91 2du8 s THR 2235CO 0.74 0.00 -0.08 -0.69 -2.21 0.00 0.00 174.62 172.38 2du8 s VAL 2236N -3.97 3.51 0.06 5.08 1.01 0.47 0.67 120.40 127.23 2du8 s VAL 2236Ca 0.20 -0.49 -0.25 0.00 0.00 0.00 0.00 61.98 61.44 2du8 s VAL 2236Cb -0.02 -2.52 -0.06 0.00 0.00 0.00 0.00 36.38 33.79 2du8 s VAL 2236CO 0.09 0.50 0.76 -0.89 0.00 0.00 0.00 175.10 175.56 2du8 s THR 2237N 0.41 4.70 -0.10 3.92 2.01 0.92 -0.22 115.64 127.28 2du8 s THR 2237Ca -0.07 1.62 0.04 0.00 0.31 0.00 0.00 61.69 63.59 2du8 s THR 2237Cb -0.15 -4.11 0.00 0.00 0.01 0.00 0.00 72.50 68.25 2du8 s THR 2237CO 0.04 0.39 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.36 2du8 s LEU 2238N -0.20 2.07 0.00 4.42 1.02 0.04 -0.50 118.68 125.54 2du8 s LEU 2238Ca 0.38 -0.55 0.00 0.00 0.02 0.00 0.00 54.13 53.98 2du8 s LEU 2238Cb -0.21 -1.38 0.00 0.00 0.02 0.00 0.00 46.19 44.62 2du8 s LEU 2238CO 0.23 0.16 0.00 0.61 0.02 0.00 0.00 176.35 177.37 2du8 n GLY 2239N 3.52 4.18 0.00 -3.19 0.00 -0.51 -1.15 105.19 108.04 2du8 n GLY 2239Ca -0.19 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.80 2du8 n GLY 2239CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2du8 n GLY 2240N 0.00 0.56 2.94 -0.02 0.00 -1.26 -1.89 105.19 105.53 2du8 n GLY 2240Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2du8 n GLY 2240CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2du8 s ILE 2241N -1.07 0.89 -0.23 -0.61 1.01 -0.88 -3.95 121.20 116.36 2du8 s ILE 2241Ca 0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 60.65 60.33 2du8 s ILE 2241Cb 0.00 -0.88 0.11 0.00 0.01 0.00 0.00 42.46 41.70 2du8 s ILE 2241CO 0.00 0.32 0.24 0.12 0.00 0.00 0.00 174.94 175.62 2du8 s PHE 2242N 1.08 -0.30 -0.38 3.97 2.19 -1.19 -4.01 117.98 119.34 2du8 s PHE 2242Ca -0.07 0.07 0.03 0.00 0.33 0.00 0.00 56.93 57.28 2du8 s PHE 2242Cb -0.14 -0.41 0.11 0.00 -1.31 0.00 0.00 43.02 41.27 2du8 s PHE 2242CO -0.01 -0.70 0.13 -0.65 1.83 0.00 0.00 175.22 175.82 2du8 s GLN 2243N 2.33 1.37 0.02 10.12 -0.21 -0.14 -4.88 119.66 128.26 2du8 s GLN 2243Ca 0.08 -1.86 -0.36 0.00 0.02 0.00 0.00 55.36 53.24 2du8 s GLN 2243Cb -0.15 -2.82 -0.15 0.00 1.00 0.00 0.00 33.01 30.89 2du8 s GLN 2243CO -0.19 -1.02 1.59 1.28 -2.12 0.00 0.00 175.29 174.83 2du8 n LEU 2244N 4.05 2.58 0.00 2.90 4.77 -1.25 -2.53 117.00 127.52 2du8 n LEU 2244Ca 0.04 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 57.09 2du8 n LEU 2244Cb 0.39 -1.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.19 2du8 n LEU 2244CO 0.22 -0.51 0.00 0.61 -1.33 0.00 0.00 177.39 176.39 2du8 n GLY 2245N 3.45 0.91 3.57 -0.72 0.00 0.09 -4.97 105.19 107.51 2du8 n GLY 2245Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 2du8 n GLY 2245CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2du8 s ASN 2246N -2.87 6.52 -0.11 1.61 3.84 -1.15 -4.92 114.94 117.85 2du8 s ASN 2246Ca 0.00 0.18 0.11 0.00 0.21 0.00 0.00 52.86 53.35 2du8 s ASN 2246Cb 0.00 -2.47 0.51 0.00 -0.55 0.00 0.00 41.25 38.74 2du8 s ASN 2246CO 0.00 -1.08 1.33 0.79 -2.79 0.00 0.00 177.10 175.35 2du8 n TRP 2247N 7.27 1.18 -2.84 0.43 7.02 -1.26 -4.53 117.44 124.70 2du8 n TRP 2247Ca 0.07 -0.43 -0.43 0.00 -1.02 0.00 0.00 57.50 55.69 2du8 n TRP 2247Cb 0.49 -0.27 -0.04 0.00 -2.42 0.00 0.00 31.31 29.07 2du8 n TRP 2247CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2du8 s SER 2248N -0.64 6.25 -1.32 -0.99 0.15 -1.26 -4.93 113.70 110.96 2du8 s SER 2248Ca 0.35 -1.15 -0.16 0.00 0.70 0.00 0.00 55.95 55.70 2du8 s SER 2248Cb 0.24 -2.43 0.09 0.00 -1.71 0.00 0.00 66.02 62.22 2du8 s SER 2248CO 0.13 -1.41 1.81 1.21 1.20 0.00 0.00 173.24 176.19 2du8 n GLU 2249N 7.65 3.18 -3.64 5.44 2.13 -1.26 -4.78 120.64 129.36 2du8 n GLU 2249Ca 0.02 -3.24 -0.05 0.00 0.66 0.00 0.00 57.16 54.56 2du8 n GLU 2249Cb 0.46 -3.33 -0.07 0.00 0.27 0.00 0.00 31.44 28.78 2du8 n GLU 2249CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 2du8 s LEU 2250N 2.96 -0.69 0.07 4.31 2.96 -1.26 -5.01 118.68 122.02 2du8 s LEU 2250Ca 0.49 1.11 -0.30 0.00 -0.22 0.00 0.00 54.13 55.21 2du8 s LEU 2250Cb 0.06 2.02 -0.09 0.00 0.50 0.00 0.00 46.19 48.67 2du8 s LEU 2250CO 0.02 -0.18 1.89 0.20 -1.32 0.00 0.00 176.35 176.97 2du8 s ASN 2251N 1.44 6.45 -0.22 3.68 0.01 -1.26 -4.94 114.94 120.09 2du8 s ASN 2251Ca -0.09 2.70 -0.11 0.00 -0.71 0.00 0.00 52.86 54.64 2du8 s ASN 2251Cb -0.04 -2.55 -0.05 0.00 0.41 0.00 0.00 41.25 39.02 2du8 s ASN 2251CO -0.17 -1.03 0.20 0.21 -1.51 0.00 0.00 177.10 174.81 2du8 s ASN 2252N 3.63 6.19 0.24 -1.22 2.47 -1.26 -5.01 114.94 119.98 2du8 s ASN 2252Ca 0.85 0.21 -0.04 0.00 0.42 0.00 0.00 52.86 54.29 2du8 s ASN 2252Cb -0.44 -2.13 0.43 0.00 -1.45 0.00 0.00 41.25 37.66 2du8 s ASN 2252CO 0.39 0.06 1.76 0.40 -3.72 0.00 0.00 177.10 175.99 2du8 h ILE 2253N 4.96 0.75 -0.45 -5.21 1.08 -1.98 0.09 117.51 116.75 2du8 h ILE 2253Ca -0.38 -0.19 0.04 0.00 -0.39 0.00 0.00 64.86 63.94 2du8 h ILE 2253Cb 1.17 0.15 -0.04 0.00 -3.07 0.00 0.00 36.82 35.02 2du8 h ILE 2253CO 0.68 0.10 0.22 1.56 -0.69 0.00 0.00 178.15 180.02 2du8 h GLN 2254N 0.56 0.42 -0.59 2.37 7.50 -1.99 0.21 115.11 123.58 2du8 h GLN 2254Ca 0.40 -0.03 -0.06 0.00 0.50 0.00 0.00 58.65 59.47 2du8 h GLN 2254Cb 0.53 -0.09 -0.02 0.00 0.05 0.00 0.00 27.48 27.94 2du8 h GLN 2254CO -0.34 0.28 0.14 -0.44 -1.50 0.00 0.00 178.83 176.97 2du8 h ASP 2255N 0.43 0.89 -0.44 1.46 3.32 -1.82 0.56 116.42 120.81 2du8 h ASP 2255Ca 0.20 -0.23 0.08 0.00 0.02 0.00 0.00 57.03 57.10 2du8 h ASP 2255Cb 0.12 -0.23 -0.10 0.00 0.22 0.00 0.00 39.33 39.34 2du8 h ASP 2255CO -0.15 0.89 -0.34 -0.74 -1.72 0.00 0.00 179.24 177.18 2du8 h HIS 2256N 0.84 -0.93 -0.67 4.55 -0.00 -0.18 0.16 115.15 118.91 2du8 h HIS 2256Ca 0.18 0.06 -0.03 0.00 -0.00 0.00 0.00 60.37 60.59 2du8 h HIS 2256Cb 0.35 0.48 -0.03 0.00 -0.00 0.00 0.00 27.41 28.20 2du8 h HIS 2256CO 0.02 -0.39 0.30 -0.91 -0.00 0.00 0.00 177.93 176.96 2du8 h ASN 2257N -0.24 0.90 -0.18 3.26 2.35 -0.56 -0.44 115.58 120.68 2du8 h ASN 2257Ca 0.18 -0.15 0.04 0.00 -0.55 0.00 0.00 56.30 55.83 2du8 h ASN 2257Cb 0.54 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.64 2du8 h ASN 2257CO -0.57 0.80 -0.09 0.74 -1.65 0.00 0.00 177.43 176.66 2du8 h THR 2258N 0.94 0.72 0.60 2.81 2.02 -0.14 -0.80 112.91 119.06 2du8 h THR 2258Ca 0.23 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.38 2du8 h THR 2258Cb 0.15 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 2du8 h THR 2258CO -0.03 0.00 -0.33 0.40 0.37 0.00 0.00 175.52 175.94 2du8 h ILE 2259N -0.07 0.33 -0.47 3.11 1.08 -0.29 -2.26 117.51 118.94 2du8 h ILE 2259Ca 0.10 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.63 2du8 h ILE 2259Cb 0.22 0.33 -0.06 0.00 -3.07 0.00 0.00 36.82 34.25 2du8 h ILE 2259CO -0.22 0.00 0.15 -0.25 -0.69 0.00 0.00 178.15 177.14 2du8 h TRP 2260N -0.86 0.26 0.30 1.37 2.91 -0.99 -2.19 115.95 116.75 2du8 h TRP 2260Ca -0.08 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 59.95 2du8 h TRP 2260Cb 0.68 -0.05 0.00 0.00 -0.51 0.00 0.00 29.16 29.28 2du8 h TRP 2260CO -0.07 0.08 -0.14 1.49 -1.03 0.00 0.00 178.44 178.77 2du8 h GLU 2261N 0.31 -0.39 -0.90 2.65 4.57 -1.13 -1.79 114.58 117.91 2du8 h GLU 2261Ca 0.22 0.03 0.13 0.00 -1.18 0.00 0.00 59.36 58.56 2du8 h GLU 2261Cb 0.24 0.09 -0.09 0.00 -0.16 0.00 0.00 28.75 28.83 2du8 h GLU 2261CO -0.24 -0.08 0.51 0.78 -1.18 0.00 0.00 179.01 178.81 2du8 h GLY 2262N -0.72 1.46 1.59 1.92 0.00 -1.39 -1.67 103.07 104.28 2du8 h GLY 2262Ca -0.04 -0.32 -0.23 0.00 0.00 0.00 0.00 47.33 46.73 2du8 h GLY 2262CO 0.07 0.05 -0.99 0.00 0.00 0.00 0.00 176.54 175.67 2du8 h ARG 2265N 0.45 0.97 -0.23 0.00 9.65 -1.28 -2.05 114.38 121.89 2du8 h ARG 2265Ca 0.04 -0.17 -0.19 0.00 -1.10 0.00 0.00 59.98 58.56 2du8 h ARG 2265Cb 0.93 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.35 2du8 h ARG 2265CO 0.08 0.80 -0.60 1.25 2.80 0.00 0.00 179.97 184.31 2du8 h LEU 2266N 0.95 0.87 -6.09 3.80 6.46 -1.23 -3.42 115.31 116.65 2du8 h LEU 2266Ca 0.22 -0.49 -0.46 0.00 -0.12 0.00 0.00 57.88 57.03 2du8 h LEU 2266Cb 0.21 -0.25 -0.32 0.00 -0.73 0.00 0.00 40.66 39.57 2du8 h LEU 2266CO -0.02 1.26 -0.82 -0.70 -0.62 0.00 0.00 178.44 177.55 2du8 s GLU 2267N -4.01 0.87 0.66 1.25 2.56 -0.00 -5.01 118.70 115.02 2du8 s GLU 2267Ca -0.10 -1.64 0.21 0.00 0.00 0.00 0.00 54.97 53.44 2du8 s GLU 2267Cb 0.10 -1.01 1.15 0.00 2.00 0.00 0.00 34.13 36.37 2du8 s GLU 2267CO 0.88 -1.33 1.64 -1.35 -0.56 0.00 0.00 175.26 174.54 2du8 h PRO 2268N 5.82 0.00 0.00 4.30 0.11 -1.63 0.29 132.00 140.88 2du8 h PRO 2268Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2du8 h PRO 2268Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2du8 h PRO 2268CO 0.26 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 179.84 2du8 h THR 2269N 0.00 0.00 0.00 -1.15 1.35 -1.94 -2.16 112.91 109.01 2du8 h THR 2269Ca 0.00 -0.38 -0.02 0.00 -0.55 0.00 0.00 66.41 65.46 2du8 h THR 2269Cb 1.04 1.24 -0.00 0.00 -1.73 0.00 0.00 68.15 68.70 2du8 h THR 2269CO 0.00 0.00 -0.07 -0.07 -0.25 0.00 0.00 175.52 175.13 2du8 h LEU 2270N 0.00 0.00 -0.76 3.87 4.07 -1.27 -3.33 115.31 117.88 2du8 h LEU 2270Ca 0.00 0.00 0.16 0.00 0.08 0.00 0.00 57.88 58.12 2du8 h LEU 2270Cb 0.48 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 42.11 2du8 h LEU 2270CO 0.00 0.07 0.25 0.50 -1.08 0.00 0.00 178.44 178.18 2du8 h LYS 2271N 0.00 0.33 -0.63 1.13 1.63 -1.59 0.23 116.57 117.67 2du8 h LYS 2271Ca -0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 2du8 h LYS 2271Cb 0.41 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 2du8 h LYS 2271CO 0.01 0.22 0.00 0.09 -3.45 0.00 0.00 179.45 176.32 2du8 n ASN 2272N -5.09 3.81 -4.74 4.20 3.02 -1.25 -4.97 115.26 110.25 2du8 n ASN 2272Ca 0.15 -2.39 -0.41 0.00 -0.03 0.00 0.00 54.58 51.90 2du8 n ASN 2272Cb 0.47 -0.52 -0.03 0.00 -0.61 0.00 0.00 39.78 39.09 2du8 n ASN 2272CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2du8 s ALA 2273N -1.86 3.44 0.06 5.41 0.00 0.80 -5.02 121.76 124.60 2du8 s ALA 2273Ca 0.39 0.97 -0.31 0.00 0.00 0.00 0.00 51.96 53.01 2du8 s ALA 2273Cb 0.26 -3.42 -0.06 0.00 0.00 0.00 0.00 23.12 19.90 2du8 s ALA 2273CO 0.17 -0.38 1.25 0.50 0.00 0.00 0.00 175.76 177.30 2du8 s ARG 2274N -0.34 4.39 -0.24 0.00 6.06 -1.26 -4.84 118.95 122.73 2du8 s ARG 2274Ca 0.53 1.84 -0.27 0.00 -2.50 0.00 0.00 55.73 55.32 2du8 s ARG 2274Cb -0.33 -3.36 0.00 0.00 0.06 0.00 0.00 34.95 31.32 2du8 s ARG 2274CO 0.37 -0.33 0.93 0.42 -2.50 0.00 0.00 175.30 174.20 2du8 s ILE 2275N 1.26 4.76 -0.18 4.11 1.01 -1.26 -0.51 121.20 130.38 2du8 s ILE 2275Ca 0.60 1.80 -0.08 0.00 0.00 0.00 0.00 60.65 62.97 2du8 s ILE 2275Cb -0.31 -4.21 -0.22 0.00 0.01 0.00 0.00 42.46 37.73 2du8 s ILE 2275CO 0.29 -0.12 0.15 -0.38 0.00 0.00 0.00 174.94 174.87 2du8 n ILE 2276N 5.28 1.65 -3.72 2.92 2.08 0.13 -4.97 119.36 122.73 2du8 n ILE 2276Ca 0.09 -0.50 -0.03 0.00 0.56 0.00 0.00 62.75 62.87 2du8 n ILE 2276Cb 0.47 -1.74 -0.01 0.00 -0.75 0.00 0.00 39.64 37.61 2du8 n ILE 2276CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 2du8 s GLY 2277N -5.64 -0.27 -0.03 7.39 0.00 -1.07 -5.00 107.32 102.68 2du8 s GLY 2277Ca -0.28 0.27 -0.10 0.00 0.00 0.00 0.00 44.72 44.62 2du8 s GLY 2277CO 0.68 0.04 0.23 1.85 0.00 0.00 0.00 173.10 175.90 2du8 s GLU 2278N -3.14 0.48 -0.00 2.90 2.12 -1.26 0.12 118.70 119.91 2du8 s GLU 2278Ca 0.12 -0.11 -0.16 0.00 0.36 0.00 0.00 54.97 55.19 2du8 s GLU 2278Cb -0.00 0.21 0.03 0.00 0.26 0.00 0.00 34.13 34.62 2du8 s GLU 2278CO 0.01 -0.11 0.33 1.03 -0.54 0.00 0.00 175.26 175.98 2du8 s ARG 2279N -0.90 0.72 0.14 4.30 1.81 -0.96 -5.00 118.95 119.06 2du8 s ARG 2279Ca -0.10 -0.23 0.08 0.00 -1.72 0.00 0.00 55.73 53.76 2du8 s ARG 2279Cb -0.05 0.32 -0.04 0.00 -0.45 0.00 0.00 34.95 34.73 2du8 s ARG 2279CO 0.02 -0.21 -0.09 0.99 -0.68 0.00 0.00 175.30 175.33 2du8 s THR 2280N -1.57 3.33 0.24 0.02 2.01 -1.26 -1.59 115.64 116.83 2du8 s THR 2280Ca -0.12 -1.44 -0.17 0.00 0.31 0.00 0.00 61.69 60.27 2du8 s THR 2280Cb -0.04 -2.61 0.01 0.00 0.01 0.00 0.00 72.50 69.87 2du8 s THR 2280CO 0.03 -0.00 0.57 -0.83 -0.69 0.00 0.00 174.62 173.70 2du8 s GLY 2281N -2.54 0.15 -0.19 4.40 0.00 -0.49 -4.96 107.32 103.70 2du8 s GLY 2281Ca 0.23 -0.50 0.00 0.00 0.00 0.00 0.00 44.72 44.45 2du8 s GLY 2281CO 0.15 -0.34 -0.07 -1.36 0.00 0.00 0.00 173.10 171.47 2du8 s PHE 2282N -3.94 2.03 0.03 1.90 0.08 -1.26 -1.18 117.98 115.63 2du8 s PHE 2282Ca 0.15 -1.34 -0.30 0.00 0.12 0.00 0.00 56.93 55.55 2du8 s PHE 2282Cb -0.03 -1.46 -0.07 0.00 -0.57 0.00 0.00 43.02 40.90 2du8 s PHE 2282CO 0.05 -0.68 1.50 1.03 -0.10 0.00 0.00 175.22 177.02 2du8 s ARG 2283N 1.52 4.25 -1.01 0.44 0.52 -0.59 -4.78 118.95 119.30 2du8 s ARG 2283Ca -0.01 2.11 -0.23 0.00 -0.52 0.00 0.00 55.73 57.08 2du8 s ARG 2283Cb -0.16 -3.59 -0.03 0.00 0.52 0.00 0.00 34.95 31.69 2du8 s ARG 2283CO -0.08 -0.64 1.83 -1.25 0.02 0.00 0.00 175.30 175.18 2du8 s PRO 2284N 2.51 2.85 -0.06 3.54 0.04 -1.26 -1.02 135.00 141.61 2du8 s PRO 2284Ca 0.68 -0.76 -0.25 0.00 0.04 0.00 0.00 61.00 60.71 2du8 s PRO 2284Cb -0.35 -5.19 -0.03 0.00 0.04 0.00 0.00 34.50 28.96 2du8 s PRO 2284CO 0.29 -3.20 0.76 0.08 0.04 0.00 0.00 177.00 174.96 2du8 s VAL 2285N 8.87 5.01 -0.10 -0.36 1.01 -0.13 0.17 120.40 134.86 2du8 s VAL 2285Ca 0.64 1.56 -0.23 0.00 0.00 0.00 0.00 61.98 63.96 2du8 s VAL 2285Cb -0.03 -4.09 0.05 0.00 0.00 0.00 0.00 36.38 32.30 2du8 s VAL 2285CO 0.01 0.23 0.55 -0.60 0.00 0.00 0.00 175.10 175.28 2du8 s ARG 2286N 0.89 0.81 0.30 2.72 3.52 -1.26 -0.19 118.95 125.75 2du8 s ARG 2286Ca 0.40 0.35 0.06 0.00 -0.13 0.00 0.00 55.73 56.41 2du8 s ARG 2286Cb -0.18 0.38 0.76 0.00 -1.56 0.00 0.00 34.95 34.35 2du8 s ARG 2286CO 0.20 -0.20 1.75 -1.35 -0.81 0.00 0.00 175.30 174.89 2du8 h PRO 2287N 4.06 0.64 -4.01 5.12 0.11 -1.93 -3.42 132.00 132.57 2du8 h PRO 2287Ca -0.28 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.68 2du8 h PRO 2287Cb 1.16 -0.14 -0.14 0.00 0.11 0.00 0.00 31.00 31.99 2du8 h PRO 2287CO 0.30 0.42 -0.46 1.14 -0.21 0.00 0.00 178.00 179.19 2du8 s GLN 2288N -5.85 0.89 0.26 1.05 -2.07 -1.26 -4.64 119.66 108.04 2du8 s GLN 2288Ca -0.11 -1.14 -0.30 0.00 -1.82 0.00 0.00 55.36 51.99 2du8 s GLN 2288Cb 0.25 0.31 -0.10 0.00 -1.09 0.00 0.00 33.01 32.38 2du8 s GLN 2288CO 0.80 -0.27 1.45 0.42 -1.32 0.00 0.00 175.29 176.36 2du8 s ILE 2289N -3.93 2.59 -0.52 3.63 1.01 -1.24 -4.90 121.20 117.85 2du8 s ILE 2289Ca 0.11 0.50 -0.22 0.00 0.00 0.00 0.00 60.65 61.05 2du8 s ILE 2289Cb 0.06 -3.32 0.05 0.00 0.01 0.00 0.00 42.46 39.25 2du8 s ILE 2289CO -0.06 0.08 0.77 -0.60 0.00 0.00 0.00 174.94 175.13 2du8 s ARG 2290N -0.49 3.24 -0.30 2.79 3.52 -0.52 -4.97 118.95 122.21 2du8 s ARG 2290Ca 0.59 -0.55 -0.02 0.00 -0.13 0.00 0.00 55.73 55.62 2du8 s ARG 2290Cb -0.42 -4.06 0.10 0.00 -1.56 0.00 0.00 34.95 29.01 2du8 s ARG 2290CO 0.45 -1.32 0.11 -1.17 -0.81 0.00 0.00 175.30 172.56 2du8 s LEU 2291N 3.24 1.64 -0.13 -0.88 2.96 -1.23 -2.23 118.68 122.05 2du8 s LEU 2291Ca 0.23 -1.53 -0.31 0.00 -0.22 0.00 0.00 54.13 52.30 2du8 s LEU 2291Cb -0.16 -0.68 0.13 0.00 0.50 0.00 0.00 46.19 45.98 2du8 s LEU 2291CO 0.16 -0.42 1.05 -1.83 -1.32 0.00 0.00 176.35 173.99 2du8 s GLU 2292N 1.78 0.54 0.61 1.98 -1.05 -1.04 -5.00 118.70 116.51 2du8 s GLU 2292Ca 0.10 -0.09 -0.09 0.00 -0.15 0.00 0.00 54.97 54.74 2du8 s GLU 2292Cb -0.17 0.25 -0.01 0.00 -0.44 0.00 0.00 34.13 33.76 2du8 s GLU 2292CO -0.29 -0.21 0.97 1.03 0.95 0.00 0.00 175.26 177.70 2du8 s ARG 2293N -2.15 3.22 -0.29 -4.83 0.52 -1.26 -1.66 118.95 112.51 2du8 s ARG 2293Ca 0.05 0.38 -0.18 0.00 -0.52 0.00 0.00 55.73 55.46 2du8 s ARG 2293Cb -0.01 -2.17 0.13 0.00 0.52 0.00 0.00 34.95 33.42 2du8 s ARG 2293CO -0.05 -0.65 0.92 -2.00 0.02 0.00 0.00 175.30 173.54 2du8 s GLU 2294N -5.09 0.48 -0.26 3.54 2.12 -0.61 -4.94 118.70 113.94 2du8 s GLU 2294Ca 0.54 0.78 -0.09 0.00 0.36 0.00 0.00 54.97 56.56 2du8 s GLU 2294Cb -0.11 0.12 -0.04 0.00 0.26 0.00 0.00 34.13 34.37 2du8 s GLU 2294CO 0.49 -0.09 0.12 1.14 -0.54 0.00 0.00 175.26 176.39 2du8 s GLN 2295N 1.20 3.81 0.15 4.30 0.00 -1.26 -1.41 119.66 126.44 2du8 s GLN 2295Ca -0.07 -0.40 -0.15 0.00 -0.00 0.00 0.00 55.36 54.74 2du8 s GLN 2295Cb -0.04 -3.47 -0.07 0.00 0.00 0.00 0.00 33.01 29.43 2du8 s GLN 2295CO -0.14 -0.16 0.57 -0.51 0.00 0.00 0.00 175.29 175.05 2du8 s LEU 2296N 1.60 4.35 -1.15 2.60 1.02 -0.97 -4.92 118.68 121.21 2du8 s LEU 2296Ca 0.07 1.12 -0.13 0.00 0.02 0.00 0.00 54.13 55.21 2du8 s LEU 2296Cb -0.15 -3.26 0.20 0.00 0.02 0.00 0.00 46.19 42.99 2du8 s LEU 2296CO 0.07 0.11 1.31 -0.13 0.02 0.00 0.00 176.35 177.72 2du8 s ARG 2297N -1.89 4.08 -0.33 1.70 3.00 -1.26 -2.54 118.95 121.71 2du8 s ARG 2297Ca 0.37 -2.71 -0.01 0.00 0.00 0.00 0.00 55.73 53.39 2du8 s ARG 2297Cb -0.15 -4.89 0.07 0.00 0.00 0.00 0.00 34.95 29.97 2du8 s ARG 2297CO 0.19 -1.61 0.04 -0.08 0.00 0.00 0.00 175.30 173.85 2du8 s THR 2298N 0.80 2.85 0.00 0.02 -1.32 -1.26 -5.03 115.64 111.70 2du8 s THR 2298Ca 0.38 -1.73 0.00 0.00 -1.21 0.00 0.00 61.69 59.13 2du8 s THR 2298Cb -0.05 -2.79 0.00 0.00 -1.51 0.00 0.00 72.50 68.15 2du8 s THR 2298CO -0.03 -0.31 0.00 0.61 -2.21 0.00 0.00 174.62 172.68 2du8 n GLY 2299N 4.53 2.06 0.00 6.08 0.00 -1.26 -4.31 105.19 112.30 2du8 n GLY 2299Ca -0.08 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2du8 n GLY 2299CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2du8 n PRO 2300N 7.38 0.00 -4.76 1.61 -0.04 -1.26 -4.61 135.00 133.32 2du8 n PRO 2300Ca 0.00 0.67 -0.33 0.00 -0.04 0.00 0.00 63.50 63.80 2du8 n PRO 2300Cb 0.00 -1.48 -0.12 0.00 -0.04 0.00 0.00 33.50 31.86 2du8 n PRO 2300CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2du8 s SER 2301N -2.39 4.31 1.14 3.54 1.04 -1.26 -5.13 113.70 114.95 2du8 s SER 2301Ca 0.00 -0.13 -0.13 0.00 0.48 0.00 0.00 55.95 56.17 2du8 s SER 2301Cb 0.00 -1.06 0.25 0.00 0.10 0.00 0.00 66.02 65.31 2du8 s SER 2301CO 0.00 0.34 0.87 -0.46 0.98 0.00 0.00 173.24 174.97 2du8 n ASN 2302N 2.38 -1.64 -4.27 7.02 0.23 -1.26 -4.67 115.26 113.05 2du8 n ASN 2302Ca -0.18 -0.09 -0.26 0.00 -0.53 0.00 0.00 54.58 53.53 2du8 n ASN 2302Cb 0.53 -1.24 -0.14 0.00 -2.08 0.00 0.00 39.78 36.85 2du8 n ASN 2302CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 2du8 s THR 2303N -2.40 1.74 0.21 5.53 -4.23 -1.05 -4.96 115.64 110.48 2du8 s THR 2303Ca 0.66 -1.28 -0.28 0.00 -1.18 0.00 0.00 61.69 59.61 2du8 s THR 2303Cb -0.23 -1.52 -0.09 0.00 1.34 0.00 0.00 72.50 72.00 2du8 s THR 2303CO 0.65 0.19 0.88 -1.61 -0.54 0.00 0.00 174.62 174.18 2du8 s GLU 2304N -1.30 4.74 -0.05 3.99 0.41 -1.21 -2.30 118.70 122.98 2du8 s GLU 2304Ca 0.08 1.36 -0.00 0.00 -0.41 0.00 0.00 54.97 55.99 2du8 s GLU 2304Cb -0.09 -3.26 0.03 0.00 -1.78 0.00 0.00 34.13 29.03 2du8 s GLU 2304CO 0.02 0.53 -0.01 0.08 -0.49 0.00 0.00 175.26 175.40 2du8 s VAL 2305N -1.18 0.35 -0.29 2.63 1.01 -0.50 -0.75 120.40 121.67 2du8 s VAL 2305Ca 0.39 0.07 -0.10 0.00 0.00 0.00 0.00 61.98 62.34 2du8 s VAL 2305Cb -0.25 -0.46 -0.02 0.00 0.00 0.00 0.00 36.38 35.65 2du8 s VAL 2305CO 0.30 0.22 0.15 -0.63 0.00 0.00 0.00 175.10 175.14 2du8 s ILE 2306N 1.50 4.77 -0.13 2.22 1.01 0.95 -1.58 121.20 129.95 2du8 s ILE 2306Ca -0.02 -0.19 -0.19 0.00 0.00 0.00 0.00 60.65 60.24 2du8 s ILE 2306Cb -0.13 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 2du8 s ILE 2306CO -0.03 0.18 0.54 -1.00 0.00 0.00 0.00 174.94 174.62 2du8 s HIS 2307N 1.66 3.49 -0.37 3.97 3.76 -0.67 0.12 115.29 127.26 2du8 s HIS 2307Ca 0.06 0.94 0.02 0.00 -0.15 0.00 0.00 55.06 55.92 2du8 s HIS 2307Cb -0.16 -2.64 0.15 0.00 1.11 0.00 0.00 32.58 31.04 2du8 s HIS 2307CO 0.07 0.08 0.30 1.21 -0.85 0.00 0.00 174.74 175.55 2du8 s ASN 2308N 0.80 1.98 0.19 1.40 2.47 -0.25 -2.49 114.94 119.04 2du8 s ASN 2308Ca 0.28 -2.01 -0.21 0.00 0.42 0.00 0.00 52.86 51.34 2du8 s ASN 2308Cb -0.16 0.05 0.05 0.00 -1.45 0.00 0.00 41.25 39.74 2du8 s ASN 2308CO 0.12 -0.27 0.60 -0.72 -3.72 0.00 0.00 177.10 173.10 2du8 s TYR 2309N 1.12 -0.34 0.00 0.43 -0.85 -0.95 -4.22 117.35 112.54 2du8 s TYR 2309Ca 0.19 0.03 0.00 0.00 -0.52 0.00 0.00 57.07 56.78 2du8 s TYR 2309Cb -0.17 0.54 0.00 0.00 0.38 0.00 0.00 41.96 42.71 2du8 s TYR 2309CO -0.02 -0.95 0.00 0.41 -1.52 0.00 0.00 175.55 173.47 2du8 n GLY 2310N -0.38 0.55 0.99 5.49 0.00 -1.26 -1.44 105.19 109.15 2du8 n GLY 2310Ca -0.12 -0.33 0.12 0.00 0.00 0.00 0.00 46.02 45.69 2du8 n GLY 2310CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2du8 n HIS 2311N -0.65 0.28 0.00 1.61 8.25 -0.87 -3.62 115.22 120.23 2du8 n HIS 2311Ca 0.00 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 2du8 n HIS 2311Cb 0.30 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.41 2du8 n HIS 2311CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2du8 n GLY 2312N 1.40 2.93 2.03 -1.41 0.00 0.45 -1.88 105.19 108.71 2du8 n GLY 2312Ca 0.17 0.07 -0.05 0.00 0.00 0.00 0.00 46.02 46.21 2du8 n GLY 2312CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2du8 n GLY 2313N 0.00 3.61 2.00 -0.02 0.00 -1.26 -3.99 105.19 105.52 2du8 n GLY 2313Ca 0.00 -0.99 0.01 0.00 0.00 0.00 0.00 46.02 45.04 2du8 n GLY 2313CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2du8 n TYR 2314N -0.09 0.28 -0.11 1.61 4.11 -0.79 -4.93 117.16 117.25 2du8 n TYR 2314Ca 0.41 -1.16 -0.10 0.00 -0.00 0.00 0.00 57.90 57.05 2du8 n TYR 2314Cb 1.40 0.02 -0.02 0.00 -0.00 0.00 0.00 39.34 40.73 2du8 n TYR 2314CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.86 177.64 2du8 h GLY 2315N 1.45 0.55 1.48 -7.48 0.00 -1.76 -2.22 103.07 95.09 2du8 h GLY 2315Ca -0.25 -0.34 -0.13 0.00 0.00 0.00 0.00 47.33 46.61 2du8 h GLY 2315CO 0.06 0.31 -0.38 1.41 0.00 0.00 0.00 176.54 177.95 2du8 h LEU 2316N 0.36 0.61 -2.36 3.11 -0.00 -1.93 -1.67 115.31 113.42 2du8 h LEU 2316Ca 0.10 -0.26 -0.01 0.00 -0.00 0.00 0.00 57.88 57.71 2du8 h LEU 2316Cb 0.28 -0.17 -0.00 0.00 -0.00 0.00 0.00 40.66 40.77 2du8 h LEU 2316CO -0.00 0.93 -0.04 0.74 -0.00 0.00 0.00 178.44 180.07 2du8 h THR 2317N 0.48 0.40 0.00 0.22 2.02 -1.77 -3.29 112.91 110.97 2du8 h THR 2317Ca 0.04 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.03 2du8 h THR 2317Cb 0.88 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.42 2du8 h THR 2317CO 0.08 0.04 0.00 0.00 0.37 0.00 0.00 175.52 176.00 2du8 n ILE 2318N -3.59 0.05 -0.12 3.11 3.06 -0.86 -4.56 119.36 116.45 2du8 n ILE 2318Ca -0.02 -0.32 -0.08 0.00 -2.50 0.00 0.00 62.75 59.82 2du8 n ILE 2318Cb 0.14 1.35 -0.00 0.00 0.54 0.00 0.00 39.64 41.67 2du8 n ILE 2318CO 0.00 0.00 0.00 1.12 -2.50 0.00 0.00 176.55 175.17 2du8 h HIS 2319N 0.00 0.49 -0.23 9.51 2.07 -1.38 -2.78 115.15 122.83 2du8 h HIS 2319Ca 0.00 0.01 0.04 0.00 -2.85 0.00 0.00 60.37 57.57 2du8 h HIS 2319Cb 0.25 -0.16 -0.04 0.00 2.57 0.00 0.00 27.41 30.03 2du8 h HIS 2319CO 0.00 0.32 -0.03 2.35 -3.07 0.00 0.00 177.93 177.50 2du8 h TRP 2320N 0.51 -0.07 -0.61 6.12 2.91 -1.87 0.18 115.95 123.13 2du8 h TRP 2320Ca 0.14 0.02 0.02 0.00 1.13 0.00 0.00 58.89 60.20 2du8 h TRP 2320Cb -0.04 0.07 -0.04 0.00 -0.51 0.00 0.00 29.16 28.64 2du8 h TRP 2320CO -0.05 -0.07 0.38 0.78 -1.03 0.00 0.00 178.44 178.46 2du8 h GLY 2321N 0.03 0.86 0.86 2.65 0.00 -1.56 -0.69 103.07 105.23 2du8 h GLY 2321Ca 0.11 -0.29 0.02 0.00 0.00 0.00 0.00 47.33 47.17 2du8 h GLY 2321CO -0.21 0.26 0.27 0.00 0.00 0.00 0.00 176.54 176.86 2du8 h ALA 2323N 1.22 0.86 -0.78 0.00 0.00 -0.07 -0.67 119.26 119.82 2du8 h ALA 2323Ca 0.19 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2du8 h ALA 2323Cb 0.04 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 2du8 h ALA 2323CO -0.10 0.52 0.50 -0.07 0.00 0.00 0.00 179.25 180.10 2du8 h LEU 2324N 0.95 0.91 -0.25 0.00 3.38 -0.81 -0.85 115.31 118.64 2du8 h LEU 2324Ca 0.22 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 58.02 2du8 h LEU 2324Cb 0.27 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2du8 h LEU 2324CO -0.01 0.68 -0.33 -0.08 0.09 0.00 0.00 178.44 178.78 2du8 h GLU 2325N 1.06 0.67 -0.73 1.13 4.57 -0.54 -2.17 114.58 118.57 2du8 h GLU 2325Ca 0.28 -0.39 -0.02 0.00 -1.18 0.00 0.00 59.36 58.06 2du8 h GLU 2325Cb -0.09 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.49 2du8 h GLU 2325CO -0.06 1.00 0.37 0.00 -1.18 0.00 0.00 179.01 179.15 2du8 h ALA 2326N 0.66 0.94 -0.62 2.92 0.00 -0.96 -1.84 119.26 120.37 2du8 h ALA 2326Ca 0.03 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2du8 h ALA 2326Cb 0.92 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2du8 h ALA 2326CO 0.08 0.48 0.38 0.00 0.00 0.00 0.00 179.25 180.19 2du8 h ALA 2327N 1.19 0.79 -0.36 0.00 0.00 -1.15 -0.20 119.26 119.53 2du8 h ALA 2327Ca 0.25 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2du8 h ALA 2327Cb 0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2du8 h ALA 2327CO -0.04 0.26 0.13 -0.22 0.00 0.00 0.00 179.25 179.39 2du8 h LYS 2328N 0.84 0.51 -0.14 0.00 3.64 -1.18 -0.88 116.57 119.36 2du8 h LYS 2328Ca 0.22 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.39 2du8 h LYS 2328Cb -0.03 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 31.70 2du8 h LYS 2328CO -0.04 0.43 -0.50 -0.07 -2.27 0.00 0.00 179.45 177.00 2du8 h LEU 2329N 0.51 0.68 -1.07 5.20 3.38 -0.85 -2.60 115.31 120.55 2du8 h LEU 2329Ca 0.13 -0.61 0.18 0.00 0.09 0.00 0.00 57.88 57.67 2du8 h LEU 2329Cb 0.12 -0.20 -0.10 0.00 0.09 0.00 0.00 40.66 40.57 2du8 h LEU 2329CO -0.01 1.17 0.61 0.15 0.09 0.00 0.00 178.44 180.46 2du8 h PHE 2330N 0.22 1.02 -0.50 1.13 3.57 -0.59 -0.24 116.94 121.55 2du8 h PHE 2330Ca -0.02 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.54 2du8 h PHE 2330Cb 1.13 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.53 2du8 h PHE 2330CO 0.10 0.25 0.33 0.78 -2.23 0.00 0.00 178.31 177.54 2du8 h GLY 2331N 0.75 0.64 1.58 2.40 0.00 -0.79 -2.49 103.07 105.16 2du8 h GLY 2331Ca 0.56 -0.22 -0.19 0.00 0.00 0.00 0.00 47.33 47.47 2du8 h GLY 2331CO -0.34 0.20 -0.77 3.21 0.00 0.00 0.00 176.54 178.83 2du8 h ARG 2332N 0.57 0.40 -0.87 4.80 2.47 -0.84 -2.88 114.38 118.02 2du8 h ARG 2332Ca 0.20 -0.35 -0.03 0.00 -1.26 0.00 0.00 59.98 58.54 2du8 h ARG 2332Cb 0.09 0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 28.45 2du8 h ARG 2332CO -0.05 1.00 0.44 0.82 0.56 0.00 0.00 179.97 182.73 2du8 h ILE 2333N 0.27 1.26 0.34 2.04 2.04 -1.16 -2.48 117.51 119.82 2du8 h ILE 2333Ca -0.04 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 2du8 h ILE 2333Cb 1.36 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 2du8 h ILE 2333CO 0.13 0.31 -0.16 -0.07 0.00 0.00 0.00 178.15 178.36 2du8 h LEU 2334N 1.23 -0.39 -1.68 1.44 3.38 -1.40 -2.06 115.31 115.83 2du8 h LEU 2334Ca 0.30 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.26 2du8 h LEU 2334Cb 0.09 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2du8 h LEU 2334CO -0.04 -0.21 0.25 1.05 0.09 0.00 0.00 178.44 179.58 2du8 h GLU 2335N -0.54 0.41 -0.42 1.13 4.11 -1.47 -1.10 114.58 116.69 2du8 h GLU 2335Ca -0.05 -0.02 -0.13 0.00 0.07 0.00 0.00 59.36 59.23 2du8 h GLU 2335Cb 0.41 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2du8 h GLU 2335CO 0.08 0.27 -0.24 0.93 0.07 0.00 0.00 179.01 180.12 2du8 h GLU 2336N 0.42 0.91 0.00 1.06 5.08 -1.37 -1.36 114.58 119.33 2du8 h GLU 2336Ca 0.15 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 2du8 h GLU 2336Cb 0.08 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2du8 h GLU 2336CO -0.04 1.07 0.00 1.63 -1.00 0.00 0.00 179.01 180.67 2du8 n LYS 2337N -4.16 0.54 -2.96 2.33 5.02 -0.78 -4.88 118.16 113.26 2du8 n LYS 2337Ca -0.01 0.02 -0.09 0.00 -2.02 0.00 0.00 58.31 56.22 2du8 n LYS 2337Cb 0.46 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 34.01 2du8 n LYS 2337CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2du8 n LYS 2338N -1.06 -1.67 0.00 1.97 5.02 -0.51 -4.98 118.16 116.93 2du8 n LYS 2338Ca 0.13 0.96 0.00 0.00 -2.02 0.00 0.00 58.31 57.39 2du8 n LYS 2338Cb 0.08 -5.24 0.00 0.00 -0.02 0.00 0.00 35.03 29.86 2du8 n LYS 2338CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2du8 n LEU 2339N -2.54 0.00 -0.65 -0.35 4.32 -0.51 -5.00 117.00 112.27 2du8 n LEU 2339Ca -0.04 -0.05 0.08 0.00 -0.02 0.00 0.00 56.01 55.98 2du8 n LEU 2339Cb 0.57 0.00 0.07 0.00 -1.62 0.00 0.00 43.42 42.44 2du8 n LEU 2339CO 0.49 0.06 0.51 -1.54 -1.22 0.00 0.00 177.39 175.69