#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fww n PHE 2004N 0.00 2.10 -3.68 5.58 -0.00 -1.26 -4.64 117.46 115.56 1fww n PHE 2004Ca 0.00 0.36 -0.37 0.00 -0.00 0.00 0.00 57.45 57.44 1fww n PHE 2004Cb 0.00 -2.49 -0.06 0.00 -0.00 0.00 0.00 39.48 36.93 1fww n PHE 2004CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 1fww s LEU 2005N 0.76 4.37 -0.23 -2.13 2.96 -0.40 -1.02 118.68 122.99 1fww s LEU 2005Ca 0.79 0.61 -0.01 0.00 -0.22 0.00 0.00 54.13 55.30 1fww s LEU 2005Cb -0.74 -2.29 0.06 0.00 0.50 0.00 0.00 46.19 43.73 1fww s LEU 2005CO 0.41 0.30 -0.01 -0.69 -1.32 0.00 0.00 176.35 175.04 1fww s VAL 2006N -0.62 1.14 -0.31 1.68 1.01 -0.35 -0.73 120.40 122.24 1fww s VAL 2006Ca 0.17 -1.01 -0.13 0.00 0.00 0.00 0.00 61.98 61.02 1fww s VAL 2006Cb -0.14 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 1fww s VAL 2006CO 0.06 -0.18 0.25 -0.63 0.00 0.00 0.00 175.10 174.60 1fww s ILE 2007N 1.57 5.27 0.05 2.22 1.01 0.08 -0.99 121.20 130.40 1fww s ILE 2007Ca -0.03 0.08 -0.08 0.00 0.00 0.00 0.00 60.65 60.62 1fww s ILE 2007Cb -0.18 -3.65 -0.00 0.00 0.01 0.00 0.00 42.46 38.64 1fww s ILE 2007CO -0.08 0.11 0.15 0.00 0.00 0.00 0.00 174.94 175.12 1fww s ALA 2008N 1.82 -0.20 0.00 9.38 0.00 -0.21 -0.47 121.76 132.08 1fww s ALA 2008Ca 0.08 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.58 1fww s ALA 2008Cb -0.16 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.25 1fww s ALA 2008CO 0.11 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1fww n GLY 2009N 0.59 1.60 3.77 0.00 0.00 -1.14 -0.72 105.19 109.28 1fww n GLY 2009Ca -0.18 -1.31 -0.39 0.00 0.00 0.00 0.00 46.02 44.14 1fww n GLY 2009CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fww s PRO 2010N -1.94 4.15 0.14 1.61 0.04 -1.01 -1.01 135.00 136.97 1fww s PRO 2010Ca 0.00 1.98 -0.30 0.00 0.04 0.00 0.00 61.00 62.72 1fww s PRO 2010Cb 0.00 -2.82 -0.06 0.00 0.04 0.00 0.00 34.50 31.67 1fww s PRO 2010CO 0.00 -0.28 1.57 0.00 0.04 0.00 0.00 177.00 178.33 1fww s ALA 2012N -5.82 2.80 -1.24 0.00 0.00 -1.26 -1.19 121.76 115.05 1fww s ALA 2012Ca -0.15 -1.57 -0.17 0.00 0.00 0.00 0.00 51.96 50.07 1fww s ALA 2012Cb 0.10 -0.56 0.10 0.00 0.00 0.00 0.00 23.12 22.75 1fww s ALA 2012CO 0.64 0.43 1.61 0.42 0.00 0.00 0.00 175.76 178.86 1fww s ILE 2013N -1.79 4.39 0.08 0.00 1.01 -0.36 -4.73 121.20 119.79 1fww s ILE 2013Ca 0.24 -2.03 0.33 0.00 0.00 0.00 0.00 60.65 59.19 1fww s ILE 2013Cb -0.08 -5.09 0.37 0.00 0.01 0.00 0.00 42.46 37.66 1fww s ILE 2013CO 0.14 -1.89 1.99 -0.33 0.00 0.00 0.00 174.94 174.84 1fww h GLU 2014N 7.66 0.00 0.00 2.79 5.08 -1.96 -3.41 114.58 124.74 1fww h GLU 2014Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1fww h GLU 2014Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1fww h GLU 2014CO 1.39 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 178.27 1fww n SER 2015N -2.89 0.00 0.28 1.42 3.41 -1.26 -4.97 113.62 109.60 1fww n SER 2015Ca 0.00 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 58.80 1fww n SER 2015Cb 0.24 0.00 0.89 0.00 -0.26 0.00 0.00 64.21 65.08 1fww n SER 2015CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1fww h GLU 2016N 0.00 0.00 -0.25 4.33 4.11 -1.93 -0.86 114.58 119.98 1fww h GLU 2016Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 1fww h GLU 2016Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1fww h GLU 2016CO 0.00 0.00 0.14 1.49 0.07 0.00 0.00 179.01 180.71 1fww h GLU 2017N 0.00 0.35 -0.56 1.06 4.81 -1.98 -0.00 114.58 118.26 1fww h GLU 2017Ca 0.00 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1fww h GLU 2017Cb 0.23 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1fww h GLU 2017CO 0.00 0.31 0.22 1.25 -0.73 0.00 0.00 179.01 180.06 1fww h LEU 2018N 0.29 0.77 -1.42 1.64 5.85 -1.55 -2.48 115.31 118.41 1fww h LEU 2018Ca 0.09 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1fww h LEU 2018Cb 0.06 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 1fww h LEU 2018CO -0.01 0.73 0.37 -0.07 -0.34 0.00 0.00 178.44 179.12 1fww h LEU 2019N 0.76 0.66 -0.33 2.25 3.38 -1.01 -1.88 115.31 119.14 1fww h LEU 2019Ca 0.19 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.98 1fww h LEU 2019Cb 0.20 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1fww h LEU 2019CO -0.02 0.49 -0.39 -0.07 0.09 0.00 0.00 178.44 178.54 1fww h LEU 2020N 0.78 0.92 0.00 1.67 3.38 -0.65 0.39 115.31 121.80 1fww h LEU 2020Ca 0.21 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1fww h LEU 2020Cb -0.08 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.41 1fww h LEU 2020CO -0.04 1.22 -0.00 0.50 0.09 0.00 0.00 178.44 180.20 1fww h LYS 2021N 0.64 -0.00 -0.44 1.13 3.64 -1.04 0.34 116.57 120.84 1fww h LYS 2021Ca 0.05 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.32 1fww h LYS 2021Cb 0.98 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.79 1fww h LYS 2021CO 0.09 0.13 -0.15 0.28 -2.27 0.00 0.00 179.45 177.53 1fww h VAL 2022N -0.13 1.26 -0.32 2.00 2.07 -1.36 -2.75 116.25 117.02 1fww h VAL 2022Ca -0.00 -1.24 -0.02 0.00 0.82 0.00 0.00 66.70 66.26 1fww h VAL 2022Cb 0.13 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1fww h VAL 2022CO 0.00 0.42 0.12 1.23 0.02 0.00 0.00 177.57 179.36 1fww h GLY 2023N 0.97 0.48 0.99 2.17 0.00 0.12 -1.12 103.07 106.68 1fww h GLY 2023Ca 0.11 -0.22 -0.07 0.00 0.00 0.00 0.00 47.33 47.15 1fww h GLY 2023CO 0.05 0.21 0.01 -2.09 0.00 0.00 0.00 176.54 174.72 1fww h GLU 2024N 0.45 0.83 -0.33 4.80 4.81 -0.64 -0.58 114.58 123.93 1fww h GLU 2024Ca 0.11 -0.26 -0.17 0.00 -0.13 0.00 0.00 59.36 58.92 1fww h GLU 2024Cb 0.11 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 1fww h GLU 2024CO -0.01 0.87 -0.46 1.49 -0.73 0.00 0.00 179.01 180.17 1fww h GLU 2025N 0.68 0.86 -0.21 1.92 4.57 -1.32 -1.64 114.58 119.44 1fww h GLU 2025Ca 0.14 -0.49 -0.09 0.00 -1.18 0.00 0.00 59.36 57.73 1fww h GLU 2025Cb 0.49 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 1fww h GLU 2025CO 0.02 1.13 -0.27 0.82 -1.18 0.00 0.00 179.01 179.53 1fww h ILE 2026N 0.68 1.27 -0.30 2.32 2.04 -1.12 -0.86 117.51 121.53 1fww h ILE 2026Ca 0.04 -1.27 -0.03 0.00 1.00 0.00 0.00 64.86 64.59 1fww h ILE 2026Cb 1.04 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 1fww h ILE 2026CO 0.10 0.40 0.05 0.50 0.00 0.00 0.00 178.15 179.21 1fww h LYS 2027N 0.36 0.49 0.15 2.37 1.63 -0.93 0.79 116.57 121.43 1fww h LYS 2027Ca 0.05 -0.13 0.01 0.00 -0.85 0.00 0.00 60.65 59.74 1fww h LYS 2027Cb 0.67 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.21 1fww h LYS 2027CO 0.05 0.58 -0.23 -0.09 -3.45 0.00 0.00 179.45 176.31 1fww h ARG 2028N 0.31 -0.43 -0.65 1.90 2.43 -0.86 -1.04 114.38 116.04 1fww h ARG 2028Ca 0.09 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.34 1fww h ARG 2028Cb 0.33 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.94 1fww h ARG 2028CO 0.00 -0.29 0.43 -0.07 -1.51 0.00 0.00 179.97 178.54 1fww h LEU 2029N -0.45 0.62 -1.41 3.80 -0.00 -1.07 -0.10 115.31 116.70 1fww h LEU 2029Ca 0.02 -0.00 0.04 0.00 -0.00 0.00 0.00 57.88 57.94 1fww h LEU 2029Cb 0.46 -0.14 -0.04 0.00 -0.00 0.00 0.00 40.66 40.94 1fww h LEU 2029CO -0.11 0.42 0.44 -1.28 -0.00 0.00 0.00 178.44 177.91 1fww h SER 2030N 0.72 0.65 1.14 -0.43 0.87 0.38 0.17 113.55 117.04 1fww h SER 2030Ca 0.27 -0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.66 1fww h SER 2030Cb 0.17 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 1fww h SER 2030CO -0.08 0.44 -0.80 -0.33 -0.53 0.00 0.00 176.83 175.53 1fww h GLU 2031N 0.75 0.00 0.11 2.24 4.39 0.03 -3.31 114.58 118.79 1fww h GLU 2031Ca 0.27 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.70 1fww h GLU 2031Cb 0.14 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1fww h GLU 2031CO -0.08 0.80 -1.25 -0.22 -1.16 0.00 0.00 179.01 177.10 1fww h LYS 2032N 0.00 0.24 -2.74 2.33 3.64 -0.35 -3.38 116.57 116.31 1fww h LYS 2032Ca -0.01 -0.41 -0.66 0.00 -1.27 0.00 0.00 60.65 58.30 1fww h LYS 2032Cb 1.59 0.15 -0.39 0.00 -0.41 0.00 0.00 32.23 33.18 1fww h LYS 2032CO 0.10 1.18 -0.28 1.19 -2.27 0.00 0.00 179.45 179.38 1fww n PHE 2033N -3.50 3.52 0.32 1.91 3.01 0.48 -4.89 117.46 118.30 1fww n PHE 2033Ca -0.08 -3.97 0.21 0.00 1.01 0.00 0.00 57.45 54.61 1fww n PHE 2033Cb 1.02 -0.80 1.10 0.00 -0.01 0.00 0.00 39.48 40.79 1fww n PHE 2033CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1fww h LYS 2034N 5.02 0.00 0.00 -1.08 1.79 -1.76 -1.68 116.57 118.87 1fww h LYS 2034Ca 0.18 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.62 1fww h LYS 2034Cb 0.71 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.35 1fww h LYS 2034CO 0.89 0.01 -0.14 1.49 -1.08 0.00 0.00 179.45 180.61 1fww h GLU 2035N 0.00 0.00 -5.98 3.15 4.57 -1.90 -3.44 114.58 110.97 1fww h GLU 2035Ca -0.00 0.00 -0.61 0.00 -1.18 0.00 0.00 59.36 57.57 1fww h GLU 2035Cb 0.05 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.59 1fww h GLU 2035CO 0.00 0.14 -0.32 0.08 -1.18 0.00 0.00 179.01 177.73 1fww s VAL 2036N -3.43 5.21 -0.39 0.32 1.01 -0.63 -4.15 120.40 118.34 1fww s VAL 2036Ca 0.03 0.33 -0.13 0.00 0.00 0.00 0.00 61.98 62.21 1fww s VAL 2036Cb 0.08 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.88 1fww s VAL 2036CO 0.64 0.36 0.25 -0.70 0.00 0.00 0.00 175.10 175.65 1fww s GLU 2037N -1.73 2.99 0.12 2.72 2.12 -0.19 -4.98 118.70 119.75 1fww s GLU 2037Ca 0.29 -0.99 -0.16 0.00 0.36 0.00 0.00 54.97 54.47 1fww s GLU 2037Cb -0.14 -3.85 -0.07 0.00 0.26 0.00 0.00 34.13 30.33 1fww s GLU 2037CO 0.16 -0.69 0.55 -0.06 -0.54 0.00 0.00 175.26 174.69 1fww s PHE 2038N 1.64 3.67 -0.08 5.30 0.40 -1.26 -1.21 117.98 126.44 1fww s PHE 2038Ca 0.04 1.13 -0.01 0.00 -0.60 0.00 0.00 56.93 57.49 1fww s PHE 2038Cb -0.19 -2.41 0.03 0.00 0.51 0.00 0.00 43.02 40.96 1fww s PHE 2038CO 0.09 0.48 -0.02 0.08 0.70 0.00 0.00 175.22 176.55 1fww s VAL 2039N -1.35 0.53 -0.02 -0.44 1.01 -0.16 -4.18 120.40 115.79 1fww s VAL 2039Ca 0.35 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 62.03 1fww s VAL 2039Cb -0.16 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 1fww s VAL 2039CO 0.19 0.28 1.03 0.12 0.00 0.00 0.00 175.10 176.72 1fww s PHE 2040N 1.78 3.56 0.01 5.22 5.36 -0.40 -1.04 117.98 132.47 1fww s PHE 2040Ca 0.03 1.58 0.07 0.00 -0.96 0.00 0.00 56.93 57.65 1fww s PHE 2040Cb -0.13 -3.20 -0.02 0.00 -0.34 0.00 0.00 43.02 39.33 1fww s PHE 2040CO -0.05 -0.34 -0.20 0.21 -1.46 0.00 0.00 175.22 173.38 1fww s LYS 2041N 1.34 1.51 -0.29 10.12 2.36 0.10 -1.31 119.74 133.57 1fww s LYS 2041Ca 0.52 -0.81 -0.22 0.00 -2.55 0.00 0.00 55.97 52.91 1fww s LYS 2041Cb -0.22 -1.53 0.15 0.00 -1.05 0.00 0.00 37.83 35.19 1fww s LYS 2041CO 0.25 0.41 1.15 0.45 1.55 0.00 0.00 175.35 179.16 1fww s SER 2042N -0.79 -0.32 -0.02 1.43 0.15 -1.17 -3.15 113.70 109.83 1fww s SER 2042Ca 0.07 0.58 -0.22 0.00 0.70 0.00 0.00 55.95 57.08 1fww s SER 2042Cb -0.08 0.78 -0.05 0.00 -1.71 0.00 0.00 66.02 64.96 1fww s SER 2042CO 0.00 -0.10 0.64 -0.44 1.20 0.00 0.00 173.24 174.55 1fww s SER 2043N 0.54 6.99 0.19 5.45 0.01 -0.34 -4.53 113.70 122.01 1fww s SER 2043Ca 0.00 1.19 0.26 0.00 1.31 0.00 0.00 55.95 58.71 1fww s SER 2043Cb -0.04 -2.39 0.79 0.00 0.21 0.00 0.00 66.02 64.59 1fww s SER 2043CO -0.11 0.02 1.74 2.22 0.41 0.00 0.00 173.24 177.52 1fww n PHE 2044N 3.11 0.85 -3.67 2.43 1.16 -1.26 -1.22 117.46 118.86 1fww n PHE 2044Ca -0.05 0.25 -0.09 0.00 -1.87 0.00 0.00 57.45 55.69 1fww n PHE 2044Cb 0.51 -0.89 -0.09 0.00 -1.61 0.00 0.00 39.48 37.40 1fww n PHE 2044CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1fww s ASP 2045N -4.41 -0.73 -0.91 5.98 2.15 -1.25 -3.87 116.67 113.62 1fww s ASP 2045Ca 0.10 1.21 -0.14 0.00 0.43 0.00 0.00 52.55 54.16 1fww s ASP 2045Cb 0.13 1.09 0.21 0.00 -0.30 0.00 0.00 42.92 44.05 1fww s ASP 2045CO 0.60 -0.22 0.91 -0.54 -0.17 0.00 0.00 175.17 175.76 1fww s LYS 2046N 1.48 3.73 0.00 4.34 -0.14 0.46 -4.86 119.74 124.75 1fww s LYS 2046Ca -0.09 -2.50 0.28 0.00 -1.36 0.00 0.00 55.97 52.30 1fww s LYS 2046Cb -0.07 -4.55 1.41 0.00 -1.68 0.00 0.00 37.83 32.94 1fww s LYS 2046CO -0.16 -1.37 1.96 0.00 -0.76 0.00 0.00 175.35 175.02 1fww n ALA 2047N 4.20 2.39 -1.81 5.17 0.00 -1.26 -3.96 120.51 125.24 1fww n ALA 2047Ca 0.18 -0.13 0.04 0.00 0.00 0.00 0.00 53.44 53.53 1fww n ALA 2047Cb 0.46 -1.45 0.16 0.00 0.00 0.00 0.00 19.45 18.62 1fww n ALA 2047CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1fww n ASN 2048N -1.29 1.74 -4.73 0.00 2.04 -1.26 -5.08 115.26 106.68 1fww n ASN 2048Ca 0.13 -3.52 -0.36 0.00 -0.44 0.00 0.00 54.58 50.39 1fww n ASN 2048Cb 0.23 -0.48 0.07 0.00 -2.53 0.00 0.00 39.78 37.07 1fww n ASN 2048CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 1fww s ARG 2049N -2.66 2.55 0.09 -3.83 1.81 -1.25 -4.93 118.95 110.73 1fww s ARG 2049Ca 0.38 1.95 -0.17 0.00 -1.72 0.00 0.00 55.73 56.17 1fww s ARG 2049Cb 0.38 -1.86 -0.07 0.00 -0.45 0.00 0.00 34.95 32.94 1fww s ARG 2049CO -0.08 -1.57 1.50 0.77 -0.68 0.00 0.00 175.30 175.24 1fww h SER 2050N 0.45 0.55 -2.92 0.23 0.02 -1.97 -3.44 113.55 106.46 1fww h SER 2050Ca -0.50 -0.35 -0.62 0.00 -0.84 0.00 0.00 61.79 59.47 1fww h SER 2050Cb 1.32 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 63.66 1fww h SER 2050CO 0.53 0.77 -0.36 -0.55 -1.14 0.00 0.00 176.83 176.08 1fww s SER 2051N -6.12 6.53 0.54 3.07 0.15 -1.26 -4.98 113.70 111.62 1fww s SER 2051Ca -0.13 0.61 0.32 0.00 0.70 0.00 0.00 55.95 57.45 1fww s SER 2051Cb 0.08 -2.11 1.28 0.00 -1.71 0.00 0.00 66.02 63.56 1fww s SER 2051CO 0.77 0.26 1.95 -0.29 1.20 0.00 0.00 173.24 177.14 1fww h ILE 2052N 3.14 0.05 -0.16 6.45 6.09 -2.03 -2.94 117.51 128.10 1fww h ILE 2052Ca -0.50 -0.59 0.00 0.00 -1.37 0.00 0.00 64.86 62.40 1fww h ILE 2052Cb 1.20 1.56 0.00 0.00 0.47 0.00 0.00 36.82 40.05 1fww h ILE 2052CO 0.65 0.02 0.00 1.41 -3.07 0.00 0.00 178.15 177.16 1fww n HIS 2053N -3.12 0.20 -2.37 2.19 8.25 -1.26 -4.95 115.22 114.16 1fww n HIS 2053Ca 0.01 -0.10 -0.26 0.00 -0.26 0.00 0.00 57.72 57.10 1fww n HIS 2053Cb 0.33 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.47 1fww n HIS 2053CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1fww s SER 2054N -1.65 5.50 0.13 0.41 0.01 -1.11 -5.03 113.70 111.95 1fww s SER 2054Ca 0.34 0.68 -0.31 0.00 1.31 0.00 0.00 55.95 57.97 1fww s SER 2054Cb 0.19 -1.63 -0.08 0.00 0.21 0.00 0.00 66.02 64.71 1fww s SER 2054CO 0.28 -1.13 1.34 0.12 0.41 0.00 0.00 173.24 174.27 1fww s PHE 2055N -3.02 3.27 -0.11 2.43 5.36 -1.26 -4.93 117.98 119.72 1fww s PHE 2055Ca 0.55 1.07 -0.01 0.00 -0.96 0.00 0.00 56.93 57.57 1fww s PHE 2055Cb -0.11 -3.63 -0.07 0.00 -0.34 0.00 0.00 43.02 38.88 1fww s PHE 2055CO 0.45 -2.11 -0.12 0.54 -1.46 0.00 0.00 175.22 172.52 1fww n ARG 2056N 3.62 0.27 -1.30 10.12 1.74 -1.26 -4.69 116.66 125.15 1fww n ARG 2056Ca 0.10 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 1fww n ARG 2056Cb 0.43 -1.12 0.00 0.00 -1.02 0.00 0.00 32.46 30.75 1fww n ARG 2056CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fww n GLY 2057N 2.74 0.23 0.92 -0.13 0.00 -1.26 -0.40 105.19 107.29 1fww n GLY 2057Ca -0.21 -1.69 0.07 0.00 0.00 0.00 0.00 46.02 44.20 1fww n GLY 2057CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1fww n HIS 2058N 9.00 0.83 0.00 1.61 8.25 -1.25 -5.05 115.22 128.60 1fww n HIS 2058Ca 0.00 -0.65 0.00 0.00 -0.26 0.00 0.00 57.72 56.81 1fww n HIS 2058Cb 0.00 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 30.95 1fww n HIS 2058CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1fww n GLY 2059N 0.31 2.00 0.19 -1.41 0.00 -1.25 -4.43 105.19 100.59 1fww n GLY 2059Ca 0.18 -1.93 -0.11 0.00 0.00 0.00 0.00 46.02 44.16 1fww n GLY 2059CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1fww h LEU 2060N 0.00 0.58 0.13 0.99 5.85 -1.99 -1.97 115.31 118.90 1fww h LEU 2060Ca 0.00 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 1fww h LEU 2060Cb 0.00 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.87 1fww h LEU 2060CO 0.00 0.78 -0.06 -0.33 -0.34 0.00 0.00 178.44 178.49 1fww h GLU 2061N 0.37 -0.16 -0.57 1.25 5.08 -1.97 0.18 114.58 118.75 1fww h GLU 2061Ca 0.09 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1fww h GLU 2061Cb 0.50 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 1fww h GLU 2061CO 0.02 -0.02 0.32 -0.92 -1.00 0.00 0.00 179.01 177.41 1fww h TYR 2062N -0.27 0.75 0.20 4.33 3.20 -1.77 -0.78 116.97 122.63 1fww h TYR 2062Ca -0.02 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1fww h TYR 2062Cb 0.21 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.24 1fww h TYR 2062CO -0.04 0.52 -0.09 0.78 -1.64 0.00 0.00 178.16 177.69 1fww h GLY 2063N 0.84 -0.28 1.73 1.82 0.00 -0.96 -1.49 103.07 104.73 1fww h GLY 2063Ca 0.20 0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.63 1fww h GLY 2063CO -0.04 -0.10 0.15 -2.08 0.00 0.00 0.00 176.54 174.47 1fww h VAL 2064N -0.60 1.09 -0.15 4.60 2.07 -0.50 -0.69 116.25 122.07 1fww h VAL 2064Ca -0.03 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 1fww h VAL 2064Cb 0.44 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1fww h VAL 2064CO 0.04 0.09 -0.03 0.50 0.02 0.00 0.00 177.57 178.20 1fww h LYS 2065N 0.37 0.29 -0.83 1.57 3.64 -1.06 -1.51 116.57 119.04 1fww h LYS 2065Ca 0.10 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1fww h LYS 2065Cb 0.01 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 1fww h LYS 2065CO -0.02 0.57 0.40 0.00 -2.27 0.00 0.00 179.45 178.13 1fww h ALA 2066N 0.72 1.15 0.00 5.00 0.00 -0.66 -1.77 119.26 123.69 1fww h ALA 2066Ca 0.04 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1fww h ALA 2066Cb 0.46 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1fww h ALA 2066CO 0.01 0.65 -0.33 -0.07 0.00 0.00 0.00 179.25 179.52 1fww h LEU 2067N 1.18 0.00 -0.32 0.00 3.38 -1.05 -2.39 115.31 116.11 1fww h LEU 2067Ca 0.29 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.15 1fww h LEU 2067Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1fww h LEU 2067CO -0.04 0.33 -0.20 0.03 0.09 0.00 0.00 178.44 178.65 1fww h ARG 2068N 0.00 0.70 -0.90 1.13 3.08 -0.45 -2.52 114.38 115.42 1fww h ARG 2068Ca -0.00 -0.33 0.06 0.00 0.07 0.00 0.00 59.98 59.78 1fww h ARG 2068Cb 0.65 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.64 1fww h ARG 2068CO 0.04 0.93 0.58 -0.22 -1.07 0.00 0.00 179.97 180.24 1fww h LYS 2069N 0.46 1.00 -0.08 0.04 1.63 -0.89 0.67 116.57 119.40 1fww h LYS 2069Ca 0.06 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.79 1fww h LYS 2069Cb 0.75 -0.23 -0.00 0.00 -0.60 0.00 0.00 32.23 32.15 1fww h LYS 2069CO 0.06 0.66 -0.02 0.28 -3.45 0.00 0.00 179.45 176.97 1fww h VAL 2070N 1.03 1.30 -0.70 2.00 2.07 -1.34 0.12 116.25 120.73 1fww h VAL 2070Ca 0.38 -0.98 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 1fww h VAL 2070Cb 0.18 1.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 1fww h VAL 2070CO -0.14 0.27 0.27 0.50 0.02 0.00 0.00 177.57 178.49 1fww h LYS 2071N -0.20 1.04 -0.16 1.57 3.64 -1.04 0.42 116.57 121.84 1fww h LYS 2071Ca 0.02 -0.19 -0.10 0.00 -1.27 0.00 0.00 60.65 59.11 1fww h LYS 2071Cb 0.44 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1fww h LYS 2071CO 0.01 0.87 -0.27 0.93 -2.27 0.00 0.00 179.45 178.71 1fww h GLU 2072N 0.99 0.47 0.00 1.90 5.08 -0.89 0.32 114.58 122.45 1fww h GLU 2072Ca 0.23 -0.29 -0.14 0.00 -1.00 0.00 0.00 59.36 58.16 1fww h GLU 2072Cb 0.22 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1fww h GLU 2072CO -0.02 0.89 -0.67 1.49 -1.00 0.00 0.00 179.01 179.70 1fww h GLU 2073N 0.10 0.00 0.00 2.33 4.81 -0.91 -3.36 114.58 117.55 1fww h GLU 2073Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1fww h GLU 2073Cb 0.86 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.24 1fww h GLU 2073CO 0.06 0.67 0.00 1.19 -0.73 0.00 0.00 179.01 180.21 1fww n PHE 2074N -3.66 0.00 -2.49 0.92 3.72 0.13 -5.02 117.46 111.07 1fww n PHE 2074Ca -0.01 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.24 1fww n PHE 2074Cb 0.68 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.22 1fww n PHE 2074CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1fww n GLY 2075N 0.82 -0.24 3.87 1.37 0.00 0.11 -4.99 105.19 106.14 1fww n GLY 2075Ca 0.00 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 1fww n GLY 2075CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fww s LEU 2076N -4.63 4.40 0.80 0.99 1.43 -1.24 -5.04 118.68 115.38 1fww s LEU 2076Ca 0.08 0.54 -0.12 0.00 -1.03 0.00 0.00 54.13 53.61 1fww s LEU 2076Cb -0.04 -2.19 0.08 0.00 0.03 0.00 0.00 46.19 44.06 1fww s LEU 2076CO 0.10 0.38 1.14 -0.54 0.23 0.00 0.00 176.35 177.67 1fww s LYS 2077N -1.10 1.88 0.15 1.70 1.02 -1.26 -4.35 119.74 117.77 1fww s LYS 2077Ca 0.17 1.46 0.09 0.00 0.02 0.00 0.00 55.97 57.71 1fww s LYS 2077Cb -0.13 -1.83 -0.04 0.00 -0.52 0.00 0.00 37.83 35.31 1fww s LYS 2077CO 0.07 -1.97 -0.19 0.42 -0.92 0.00 0.00 175.35 172.75 1fww s ILE 2078N -2.54 1.84 -0.19 2.17 -1.09 -1.26 -1.27 121.20 118.85 1fww s ILE 2078Ca 0.67 -1.83 -0.15 0.00 -2.23 0.00 0.00 60.65 57.11 1fww s ILE 2078Cb -0.22 -1.80 0.06 0.00 -1.58 0.00 0.00 42.46 38.92 1fww s ILE 2078CO 0.52 -0.23 0.50 0.28 -1.23 0.00 0.00 174.94 174.78 1fww s THR 2079N -1.78 -0.01 0.13 2.92 -1.32 -0.43 0.13 115.64 115.28 1fww s THR 2079Ca 0.14 0.03 -0.12 0.00 -1.21 0.00 0.00 61.69 60.52 1fww s THR 2079Cb -0.07 -0.71 0.01 0.00 -1.51 0.00 0.00 72.50 70.22 1fww s THR 2079CO 0.06 0.01 0.32 0.28 -2.21 0.00 0.00 174.62 173.08 1fww s THR 2080N 0.78 0.09 0.10 5.08 -1.32 -1.22 -3.06 115.64 116.09 1fww s THR 2080Ca -0.04 -0.98 0.00 0.00 -1.21 0.00 0.00 61.69 59.45 1fww s THR 2080Cb -0.05 -1.42 -0.04 0.00 -1.51 0.00 0.00 72.50 69.48 1fww s THR 2080CO -0.06 -0.41 0.25 1.51 -2.21 0.00 0.00 174.62 173.71 1fww s ASP 2081N -2.87 6.37 0.24 8.08 -4.77 -1.26 -1.34 116.67 121.13 1fww s ASP 2081Ca 0.07 0.29 0.09 0.00 -3.30 0.00 0.00 52.55 49.70 1fww s ASP 2081Cb 0.03 -1.96 -0.04 0.00 -1.09 0.00 0.00 42.92 39.85 1fww s ASP 2081CO -0.08 0.12 -0.03 0.27 0.70 0.00 0.00 175.17 176.15 1fww s ILE 2082N -1.60 3.39 0.00 2.11 -4.36 -0.83 -4.76 121.20 115.16 1fww s ILE 2082Ca 0.36 -1.84 0.00 0.00 -0.26 0.00 0.00 60.65 58.91 1fww s ILE 2082Cb -0.12 -2.78 0.00 0.00 1.25 0.00 0.00 42.46 40.81 1fww s ILE 2082CO 0.28 -0.30 0.00 1.41 0.24 0.00 0.00 174.94 176.56 1fww n HIS 2083N -0.65 0.00 -3.85 1.37 8.25 -1.26 -4.36 115.22 114.72 1fww n HIS 2083Ca -0.07 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.27 1fww n HIS 2083Cb 0.58 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.59 1fww n HIS 2083CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1fww s GLU 2084N -1.19 0.47 0.31 -0.41 2.02 -1.26 -5.07 118.70 113.57 1fww s GLU 2084Ca 0.00 -0.30 0.08 0.00 0.02 0.00 0.00 54.97 54.77 1fww s GLU 2084Cb 0.00 0.20 0.87 0.00 0.10 0.00 0.00 34.13 35.29 1fww s GLU 2084CO 0.00 -0.11 1.67 0.77 0.02 0.00 0.00 175.26 177.61 1fww h SER 2085N 4.43 0.34 0.17 -0.19 0.02 -1.91 -1.74 113.55 114.67 1fww h SER 2085Ca -0.30 0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 1fww h SER 2085Cb 1.19 0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.89 1fww h SER 2085CO 0.40 -0.08 -0.03 4.11 -1.14 0.00 0.00 176.83 180.09 1fww h TRP 2086N 0.34 0.00 0.00 3.45 5.08 -1.97 -2.70 115.95 120.14 1fww h TRP 2086Ca 0.63 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.59 1fww h TRP 2086Cb 1.31 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.46 1fww h TRP 2086CO -0.12 0.03 -0.05 1.96 -1.28 0.00 0.00 178.44 178.98 1fww h GLN 2087N 0.00 0.00 -0.19 0.12 4.20 -1.75 -3.35 115.11 114.14 1fww h GLN 2087Ca -0.00 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.76 1fww h GLN 2087Cb 0.13 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.85 1fww h GLN 2087CO 0.00 0.05 -0.15 0.00 -0.67 0.00 0.00 178.83 178.07 1fww h ALA 2088N 1.95 -0.02 0.72 3.87 0.00 -1.63 -2.08 119.26 122.07 1fww h ALA 2088Ca -0.00 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1fww h ALA 2088Cb 0.82 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1fww h ALA 2088CO 0.01 -0.59 -0.42 1.49 0.00 0.00 0.00 179.25 179.74 1fww h GLU 2089N -0.16 -1.03 -0.54 0.00 4.81 -1.80 -0.82 114.58 115.04 1fww h GLU 2089Ca 0.12 0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.43 1fww h GLU 2089Cb 0.33 0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 1fww h GLU 2089CO -0.29 -0.69 0.36 -1.00 -0.73 0.00 0.00 179.01 176.66 1fww h PRO 2090N -1.07 0.65 -0.19 0.92 0.13 -1.77 -2.31 132.00 128.37 1fww h PRO 2090Ca -0.09 -0.04 -0.15 0.00 -0.87 0.00 0.00 66.00 64.85 1fww h PRO 2090Cb 0.85 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 1fww h PRO 2090CO 0.11 0.43 -0.50 0.28 -0.23 0.00 0.00 178.00 178.09 1fww h VAL 2091N 0.67 1.32 0.00 1.56 2.07 -1.27 -2.91 116.25 117.70 1fww h VAL 2091Ca 0.21 -1.72 0.00 0.00 0.82 0.00 0.00 66.70 66.00 1fww h VAL 2091Cb 0.01 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1fww h VAL 2091CO -0.05 0.53 0.00 0.00 0.02 0.00 0.00 177.57 178.07 1fww h ALA 2092N 1.06 1.00 -0.36 1.67 0.00 -0.55 -0.25 119.26 121.83 1fww h ALA 2092Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1fww h ALA 2092Cb 1.01 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1fww h ALA 2092CO 0.09 0.00 0.15 0.93 0.00 0.00 0.00 179.25 180.42 1fww h GLU 2093N 0.00 0.51 0.00 0.00 4.39 -1.50 -3.34 114.58 114.64 1fww h GLU 2093Ca 0.00 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 1fww h GLU 2093Cb 0.07 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1fww h GLU 2093CO 0.00 0.42 -1.17 0.28 -1.16 0.00 0.00 179.01 177.39 1fww n VAL 2094N -4.39 0.17 -2.55 3.13 0.31 -0.77 -5.02 118.33 109.20 1fww n VAL 2094Ca 0.02 -0.09 -0.43 0.00 -0.01 0.00 0.00 64.34 63.84 1fww n VAL 2094Cb 0.14 -0.84 -0.02 0.00 -0.91 0.00 0.00 33.84 32.20 1fww n VAL 2094CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fww s ALA 2095N -2.06 3.52 0.12 3.52 0.00 -0.17 -4.45 121.76 122.24 1fww s ALA 2095Ca -0.02 0.46 0.08 0.00 0.00 0.00 0.00 51.96 52.48 1fww s ALA 2095Cb 0.01 -3.51 -0.12 0.00 0.00 0.00 0.00 23.12 19.49 1fww s ALA 2095CO 0.09 -0.82 1.33 -0.44 0.00 0.00 0.00 175.76 175.92 1fww h ASP 2096N 7.47 0.00 -3.23 0.00 3.32 -0.63 -3.43 116.42 119.92 1fww h ASP 2096Ca -0.30 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.22 1fww h ASP 2096Cb 1.13 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.32 1fww h ASP 2096CO 0.90 0.92 -0.81 -0.63 -1.72 0.00 0.00 179.24 177.90 1fww s ILE 2097N -2.84 1.08 -0.19 0.35 1.01 -0.77 -2.56 121.20 117.28 1fww s ILE 2097Ca 0.01 -0.35 -0.17 0.00 0.00 0.00 0.00 60.65 60.14 1fww s ILE 2097Cb 0.10 -1.06 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 1fww s ILE 2097CO 0.81 0.37 0.44 -0.63 0.00 0.00 0.00 174.94 175.93 1fww s ILE 2098N 1.46 5.17 -0.12 2.92 1.01 0.50 -3.39 121.20 128.76 1fww s ILE 2098Ca 0.01 0.81 -0.12 0.00 0.00 0.00 0.00 60.65 61.35 1fww s ILE 2098Cb -0.13 -3.77 -0.05 0.00 0.01 0.00 0.00 42.46 38.52 1fww s ILE 2098CO -0.06 0.25 0.26 -1.58 0.00 0.00 0.00 174.94 173.81 1fww s GLN 2099N 1.27 3.95 -0.25 2.79 0.74 -0.45 -1.11 119.66 126.60 1fww s GLN 2099Ca 0.22 0.07 -0.07 0.00 0.05 0.00 0.00 55.36 55.63 1fww s GLN 2099Cb -0.15 -3.32 -0.03 0.00 1.10 0.00 0.00 33.01 30.62 1fww s GLN 2099CO 0.09 0.49 0.07 0.42 -0.55 0.00 0.00 175.29 175.81 1fww s ILE 2100N -0.29 4.32 0.60 -2.34 -1.09 0.12 -1.97 121.20 120.55 1fww s ILE 2100Ca 0.17 -0.17 -0.19 0.00 -2.23 0.00 0.00 60.65 58.23 1fww s ILE 2100Cb -0.13 -3.02 -0.05 0.00 -1.58 0.00 0.00 42.46 37.68 1fww s ILE 2100CO 0.05 0.34 1.02 -2.65 -1.23 0.00 0.00 174.94 172.48 1fww n PRO 2101N 4.89 0.97 -0.10 2.79 -0.02 -1.26 -1.14 135.00 141.13 1fww n PRO 2101Ca -0.16 0.38 -0.07 0.00 -2.02 0.00 0.00 63.50 61.63 1fww n PRO 2101Cb 0.51 -2.23 0.01 0.00 -0.02 0.00 0.00 33.50 31.78 1fww n PRO 2101CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fww h ALA 2102N 0.57 0.43 0.00 3.55 0.00 -1.90 -1.41 119.26 120.50 1fww h ALA 2102Ca -0.49 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1fww h ALA 2102Cb 1.36 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1fww h ALA 2102CO 0.52 -0.23 -0.01 0.74 0.00 0.00 0.00 179.25 180.27 1fww h PHE 2103N 0.33 0.00 -0.54 0.00 0.04 -1.92 -2.79 116.94 112.06 1fww h PHE 2103Ca 0.15 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.92 1fww h PHE 2103Cb 0.09 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.24 1fww h PHE 2103CO -0.12 0.01 0.00 1.28 -0.60 0.00 0.00 178.31 178.89 1fww n LEU 2104N -3.16 3.76 0.04 1.54 4.77 -0.59 -4.61 117.00 118.75 1fww n LEU 2104Ca -0.02 -2.17 0.05 0.00 -0.03 0.00 0.00 56.01 53.84 1fww n LEU 2104Cb 0.18 -0.42 0.24 0.00 -2.33 0.00 0.00 43.42 41.09 1fww n LEU 2104CO 0.24 0.84 0.66 0.00 -1.33 0.00 0.00 177.39 177.80 1fww n ARG 2106N -1.71 1.50 -2.61 0.00 1.74 -1.26 -4.89 116.66 109.42 1fww n ARG 2106Ca 0.01 -1.55 -0.41 0.00 -0.77 0.00 0.00 57.85 55.12 1fww n ARG 2106Cb 0.08 -1.26 -0.03 0.00 -1.02 0.00 0.00 32.46 30.23 1fww n ARG 2106CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1fww s GLN 2107N -1.01 3.40 0.24 5.56 -1.52 -0.73 -4.90 119.66 120.70 1fww s GLN 2107Ca 0.18 -0.81 -0.12 0.00 -1.95 0.00 0.00 55.36 52.67 1fww s GLN 2107Cb 0.11 -4.77 0.32 0.00 -0.22 0.00 0.00 33.01 28.45 1fww s GLN 2107CO 0.16 -2.12 1.59 1.15 -0.25 0.00 0.00 175.29 175.82 1fww h THR 2108N 6.36 0.17 -0.02 -0.19 2.02 -1.90 -1.54 112.91 117.81 1fww h THR 2108Ca -0.03 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.11 1fww h THR 2108Cb 1.03 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 1fww h THR 2108CO 1.33 0.00 -0.19 0.44 0.37 0.00 0.00 175.52 177.46 1fww h ASP 2109N -0.02 0.03 -0.24 4.18 3.32 -1.99 -0.36 116.42 121.35 1fww h ASP 2109Ca 0.37 -0.01 -0.17 0.00 0.02 0.00 0.00 57.03 57.25 1fww h ASP 2109Cb 0.59 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1fww h ASP 2109CO -0.84 0.23 -0.51 0.25 -1.72 0.00 0.00 179.24 176.65 1fww h LEU 2110N 0.03 0.86 -0.41 1.55 5.85 -1.67 -0.22 115.31 121.31 1fww h LEU 2110Ca 0.01 -0.55 -0.06 0.00 0.84 0.00 0.00 57.88 58.12 1fww h LEU 2110Cb 0.36 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1fww h LEU 2110CO 0.03 1.25 0.03 -0.07 -0.34 0.00 0.00 178.44 179.34 1fww h LEU 2111N 0.51 0.67 -0.40 2.25 3.38 -1.03 -1.55 115.31 119.15 1fww h LEU 2111Ca 0.00 -0.28 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 1fww h LEU 2111Cb 1.12 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1fww h LEU 2111CO 0.11 0.79 -0.01 -0.07 0.09 0.00 0.00 178.44 179.35 1fww h LEU 2112N 0.53 0.69 -0.68 1.67 3.38 -1.06 -0.62 115.31 119.23 1fww h LEU 2112Ca 0.12 -0.31 0.04 0.00 0.09 0.00 0.00 57.88 57.82 1fww h LEU 2112Cb 0.42 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 1fww h LEU 2112CO 0.01 0.84 0.40 0.00 0.09 0.00 0.00 178.44 179.79 1fww h ALA 2113N 0.88 0.90 -0.31 1.53 0.00 -0.95 0.39 119.26 121.70 1fww h ALA 2113Ca 0.11 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1fww h ALA 2113Cb 0.49 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1fww h ALA 2113CO 0.02 0.13 0.05 0.00 0.00 0.00 0.00 179.25 179.45 1fww h ALA 2114N 1.32 0.41 -0.53 0.00 0.00 -1.06 -2.99 119.26 116.41 1fww h ALA 2114Ca 0.29 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1fww h ALA 2114Cb 0.10 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1fww h ALA 2114CO -0.14 0.10 0.30 0.00 0.00 0.00 0.00 179.25 179.51 1fww h ALA 2115N 0.88 1.52 0.00 0.00 0.00 -0.53 -2.65 119.26 118.48 1fww h ALA 2115Ca 0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1fww h ALA 2115Cb 0.34 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1fww h ALA 2115CO 0.01 0.41 -0.10 -0.22 0.00 0.00 0.00 179.25 179.34 1fww h LYS 2116N 0.74 0.00 0.00 0.00 3.64 -0.78 -2.73 116.57 117.44 1fww h LYS 2116Ca 0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1fww h LYS 2116Cb 0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1fww h LYS 2116CO -0.03 0.10 0.00 1.79 -2.27 0.00 0.00 179.45 179.04 1fww h THR 2117N 0.00 0.00 0.00 1.00 1.35 -1.47 -3.46 112.91 110.33 1fww h THR 2117Ca -0.00 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 1fww h THR 2117Cb 0.30 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1fww h THR 2117CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 1fww n GLY 2118N -0.11 2.11 3.80 5.82 0.00 -1.03 -5.04 105.19 110.75 1fww n GLY 2118Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1fww n GLY 2118CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fww s ARG 2119N -0.48 1.41 0.49 1.61 1.81 -1.26 -4.92 118.95 117.61 1fww s ARG 2119Ca 0.00 0.35 -0.20 0.00 -1.72 0.00 0.00 55.73 54.16 1fww s ARG 2119Cb 0.00 -1.87 -0.09 0.00 -0.45 0.00 0.00 34.95 32.55 1fww s ARG 2119CO 0.00 -2.02 1.02 0.00 -0.68 0.00 0.00 175.30 173.62 1fww s ALA 2120N -3.27 2.90 -0.08 2.13 0.00 -1.06 -4.77 121.76 117.61 1fww s ALA 2120Ca 0.63 0.53 0.02 0.00 0.00 0.00 0.00 51.96 53.15 1fww s ALA 2120Cb -0.14 -3.23 0.01 0.00 0.00 0.00 0.00 23.12 19.76 1fww s ALA 2120CO 0.53 -0.27 -0.14 0.08 0.00 0.00 0.00 175.76 175.96 1fww s VAL 2121N -2.09 1.30 -0.24 0.00 1.01 -0.63 -0.37 120.40 119.39 1fww s VAL 2121Ca 0.66 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 62.04 1fww s VAL 2121Cb -0.15 -1.18 0.02 0.00 0.00 0.00 0.00 36.38 35.07 1fww s VAL 2121CO 0.20 0.39 -0.06 0.21 0.00 0.00 0.00 175.10 175.85 1fww s ASN 2122N 0.67 4.24 -0.25 3.32 3.04 -0.27 -0.89 114.94 124.80 1fww s ASN 2122Ca -0.14 -0.73 -0.09 0.00 0.04 0.00 0.00 52.86 51.94 1fww s ASN 2122Cb -0.16 -1.67 -0.04 0.00 -1.54 0.00 0.00 41.25 37.83 1fww s ASN 2122CO 0.04 -0.09 0.12 -0.69 -3.04 0.00 0.00 177.10 173.43 1fww s VAL 2123N 1.37 4.86 -0.03 -5.21 1.01 -0.09 -0.70 120.40 121.60 1fww s VAL 2123Ca 0.02 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 1fww s VAL 2123Cb -0.16 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 1fww s VAL 2123CO -0.05 0.33 1.33 -0.54 0.00 0.00 0.00 175.10 176.17 1fww s LYS 2124N 1.38 4.30 -0.06 2.72 -0.14 -0.29 -1.14 119.74 126.52 1fww s LYS 2124Ca 0.06 1.85 -0.30 0.00 -1.36 0.00 0.00 55.97 56.22 1fww s LYS 2124Cb -0.15 -3.60 -0.05 0.00 -1.68 0.00 0.00 37.83 32.36 1fww s LYS 2124CO 0.06 -0.55 1.57 0.21 -0.76 0.00 0.00 175.35 175.87 1fww s LYS 2125N 2.48 4.20 0.52 1.68 2.20 -0.16 -3.99 119.74 126.68 1fww s LYS 2125Ca 0.61 2.09 -0.21 0.00 -0.36 0.00 0.00 55.97 58.10 1fww s LYS 2125Cb -0.28 -3.89 -0.07 0.00 -1.51 0.00 0.00 37.83 32.08 1fww s LYS 2125CO 0.24 -0.79 1.00 0.41 -0.36 0.00 0.00 175.35 175.86 1fww n GLY 2126N 3.99 -0.21 0.10 5.54 0.00 -1.24 -4.58 105.19 108.78 1fww n GLY 2126Ca 0.16 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.26 1fww n GLY 2126CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1fww n GLN 2127N -0.47 0.12 0.00 1.61 3.00 -1.26 -1.77 117.38 118.60 1fww n GLN 2127Ca 0.11 0.46 0.11 0.00 -0.01 0.00 0.00 57.00 57.67 1fww n GLN 2127Cb 0.44 -1.77 -0.02 0.00 0.00 0.00 0.00 30.24 28.88 1fww n GLN 2127CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 1fww n PHE 2128N -2.00 0.00 -3.39 1.08 1.16 -1.26 -1.30 117.46 111.74 1fww n PHE 2128Ca 0.01 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.24 1fww n PHE 2128Cb 0.14 -0.01 -0.06 0.00 -1.61 0.00 0.00 39.48 37.94 1fww n PHE 2128CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 1fww s LEU 2129N -2.65 4.35 0.32 5.98 2.96 -0.73 -5.06 118.68 123.86 1fww s LEU 2129Ca 0.15 1.03 -0.06 0.00 -0.22 0.00 0.00 54.13 55.04 1fww s LEU 2129Cb 0.17 -3.19 -0.05 0.00 0.50 0.00 0.00 46.19 43.62 1fww s LEU 2129CO 0.66 0.12 0.61 0.00 -1.32 0.00 0.00 176.35 176.42 1fww s ALA 2130N -1.43 3.56 0.19 5.97 0.00 -1.26 -4.91 121.76 123.88 1fww s ALA 2130Ca 0.36 -0.51 -0.12 0.00 0.00 0.00 0.00 51.96 51.70 1fww s ALA 2130Cb -0.15 -2.38 0.22 0.00 0.00 0.00 0.00 23.12 20.81 1fww s ALA 2130CO 0.19 0.15 1.70 -1.35 0.00 0.00 0.00 175.76 176.45 1fww h PRO 2131N 1.48 0.20 0.00 0.00 0.11 -1.98 -1.30 132.00 130.51 1fww h PRO 2131Ca -0.48 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1fww h PRO 2131Cb 1.19 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1fww h PRO 2131CO 0.65 0.13 -0.02 0.11 -0.21 0.00 0.00 178.00 178.66 1fww h TRP 2132N 0.21 0.00 0.00 0.65 0.09 -1.94 -2.51 115.95 112.45 1fww h TRP 2132Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.25 1fww h TRP 2132Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.63 1fww h TRP 2132CO -0.26 0.02 0.00 -0.25 0.09 0.00 0.00 178.44 178.05 1fww n ASP 2133N -3.16 0.00 0.05 0.11 8.00 -0.49 -2.63 116.55 118.43 1fww n ASP 2133Ca -0.01 0.49 0.13 0.00 0.71 0.00 0.00 54.79 56.11 1fww n ASP 2133Cb 0.24 -0.49 0.47 0.00 -0.02 0.00 0.00 41.12 41.31 1fww n ASP 2133CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1fww n THR 2134N -1.49 0.31 -0.22 -3.53 -2.24 -0.95 -3.56 114.28 102.61 1fww n THR 2134Ca 0.04 -0.16 -0.05 0.00 -2.27 0.00 0.00 64.05 61.61 1fww n THR 2134Cb 0.18 -0.48 0.05 0.00 -2.10 0.00 0.00 70.33 67.98 1fww n THR 2134CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1fww h LYS 2135N 0.00 0.77 -0.18 -0.78 3.64 -1.72 -1.64 116.57 116.66 1fww h LYS 2135Ca 0.00 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 1fww h LYS 2135Cb 0.63 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1fww h LYS 2135CO 0.00 0.51 -0.09 -0.91 -2.27 0.00 0.00 179.45 176.69 1fww h ASN 2136N 0.80 0.26 -0.17 4.20 -0.26 -1.80 -1.92 115.58 116.69 1fww h ASN 2136Ca 0.24 -0.05 -0.02 0.00 -0.56 0.00 0.00 56.30 55.91 1fww h ASN 2136Cb -0.04 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.15 1fww h ASN 2136CO -0.08 0.39 0.04 0.58 -1.06 0.00 0.00 177.43 177.30 1fww h VAL 2137N 0.26 1.20 -0.69 2.81 2.07 -1.47 -2.05 116.25 118.39 1fww h VAL 2137Ca 0.06 -0.65 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 1fww h VAL 2137Cb 0.34 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1fww h VAL 2137CO 0.02 0.20 0.42 0.58 0.02 0.00 0.00 177.57 178.81 1fww h VAL 2138N 0.08 1.19 -0.81 2.57 2.07 -1.08 -2.29 116.25 117.98 1fww h VAL 2138Ca 0.05 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.20 1fww h VAL 2138Cb 0.27 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.22 1fww h VAL 2138CO 0.00 0.20 0.53 -0.08 0.02 0.00 0.00 177.57 178.24 1fww h GLU 2139N 0.93 0.97 -0.47 1.57 4.81 -1.18 0.08 114.58 121.30 1fww h GLU 2139Ca 0.25 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 1fww h GLU 2139Cb -0.05 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.09 1fww h GLU 2139CO -0.05 0.64 0.21 0.87 -0.73 0.00 0.00 179.01 179.96 1fww h LYS 2140N 1.00 0.68 -0.55 1.92 1.57 -0.80 -0.80 116.57 119.60 1fww h LYS 2140Ca 0.32 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.92 1fww h LYS 2140Cb 0.04 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1fww h LYS 2140CO -0.09 0.59 0.05 -0.07 -0.57 0.00 0.00 179.45 179.36 1fww h LEU 2141N 0.61 0.90 -0.70 2.94 3.38 -1.04 -1.15 115.31 120.26 1fww h LEU 2141Ca 0.16 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1fww h LEU 2141Cb 0.14 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1fww h LEU 2141CO -0.02 0.96 0.28 0.11 0.09 0.00 0.00 178.44 179.86 1fww h LYS 2142N 0.82 1.04 -0.38 1.13 1.57 -0.84 0.88 116.57 120.79 1fww h LYS 2142Ca 0.16 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1fww h LYS 2142Cb 0.46 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 1fww h LYS 2142CO 0.02 0.86 0.16 0.35 -0.57 0.00 0.00 179.45 180.27 1fww h PHE 2143N 1.00 0.52 -0.01 -1.35 3.57 -0.87 -1.26 116.94 118.53 1fww h PHE 2143Ca 0.23 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.72 1fww h PHE 2143Cb 0.20 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.78 1fww h PHE 2143CO 0.01 0.40 0.00 0.41 -2.23 0.00 0.00 178.31 176.90 1fww n GLY 2144N -1.25 -0.83 0.13 2.40 0.00 -0.46 -4.89 105.19 100.30 1fww n GLY 2144Ca 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1fww n GLY 2144CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fww n GLY 2145N 0.98 0.56 3.77 -0.02 0.00 -0.48 -3.75 105.19 106.25 1fww n GLY 2145Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 1fww n GLY 2145CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fww s ALA 2146N -2.08 3.35 0.00 4.61 0.00 0.20 -4.94 121.76 122.90 1fww s ALA 2146Ca 0.00 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.04 1fww s ALA 2146Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1fww s ALA 2146CO 0.00 -0.50 0.00 1.63 0.00 0.00 0.00 175.76 176.89 1fww n LYS 2147N 0.61 2.71 -3.71 0.00 5.02 -1.26 -4.30 118.16 117.23 1fww n LYS 2147Ca 0.01 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.93 1fww n LYS 2147Cb 0.44 -0.90 -0.11 0.00 -0.02 0.00 0.00 35.03 34.44 1fww n LYS 2147CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1fww s GLU 2148N -1.76 2.19 -0.12 1.97 2.12 -1.26 -5.07 118.70 116.78 1fww s GLU 2148Ca 0.00 -1.75 0.02 0.00 0.36 0.00 0.00 54.97 53.60 1fww s GLU 2148Cb 0.00 -3.67 -0.01 0.00 0.26 0.00 0.00 34.13 30.72 1fww s GLU 2148CO 0.00 -1.07 -0.18 0.42 -0.54 0.00 0.00 175.26 173.88 1fww s ILE 2149N 1.23 2.55 0.12 -3.70 1.01 -1.26 -1.60 121.20 119.54 1fww s ILE 2149Ca 0.06 -0.84 0.10 0.00 0.00 0.00 0.00 60.65 59.98 1fww s ILE 2149Cb -0.23 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.17 1fww s ILE 2149CO -0.03 0.54 -0.26 -0.31 0.00 0.00 0.00 174.94 174.89 1fww s TYR 2150N 0.36 2.23 -0.09 3.97 1.51 -0.07 -2.67 117.35 122.59 1fww s TYR 2150Ca -0.15 -0.39 0.03 0.00 -1.01 0.00 0.00 57.07 55.55 1fww s TYR 2150Cb -0.17 -1.22 0.01 0.00 -0.11 0.00 0.00 41.96 40.47 1fww s TYR 2150CO 0.07 0.29 -0.18 -0.51 -1.11 0.00 0.00 175.55 174.12 1fww s LEU 2151N -1.94 1.85 -0.16 -1.29 1.43 -0.36 -0.91 118.68 117.31 1fww s LEU 2151Ca 0.13 -0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 52.76 1fww s LEU 2151Cb -0.10 -1.13 -0.02 0.00 0.03 0.00 0.00 46.19 44.97 1fww s LEU 2151CO 0.05 0.08 -0.06 -0.89 0.23 0.00 0.00 176.35 175.76 1fww s THR 2152N 0.61 3.57 -0.17 5.49 2.01 -0.29 -0.85 115.64 126.01 1fww s THR 2152Ca -0.14 -0.46 -0.26 0.00 0.31 0.00 0.00 61.69 61.13 1fww s THR 2152Cb -0.16 -2.57 -0.01 0.00 0.01 0.00 0.00 72.50 69.77 1fww s THR 2152CO 0.05 0.48 0.88 -0.70 -0.69 0.00 0.00 174.62 174.64 1fww s GLU 2153N 0.62 4.30 -0.03 4.92 2.56 0.28 -0.98 118.70 130.38 1fww s GLU 2153Ca -0.04 1.11 0.11 0.00 0.00 0.00 0.00 54.97 56.15 1fww s GLU 2153Cb -0.15 -3.58 0.20 0.00 2.00 0.00 0.00 34.13 32.60 1fww s GLU 2153CO 0.03 -0.37 1.09 2.89 -0.56 0.00 0.00 175.26 178.33 1fww n ARG 2154N 5.37 0.23 0.00 4.30 -4.01 -1.26 -0.44 116.66 120.85 1fww n ARG 2154Ca 0.06 -1.63 0.00 0.00 -1.04 0.00 0.00 57.85 55.24 1fww n ARG 2154Cb 0.48 -0.50 0.00 0.00 -3.04 0.00 0.00 32.46 29.40 1fww n ARG 2154CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1fww n GLY 2155N -0.04 1.60 3.21 2.89 0.00 -1.26 -3.84 105.19 107.73 1fww n GLY 2155Ca 0.05 -1.80 -0.24 0.00 0.00 0.00 0.00 46.02 44.03 1fww n GLY 2155CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fww s THR 2156N -2.79 1.47 -0.02 2.61 2.01 0.25 -4.35 115.64 114.82 1fww s THR 2156Ca 0.00 -1.06 -0.35 0.00 0.31 0.00 0.00 61.69 60.59 1fww s THR 2156Cb 0.00 -1.28 -0.13 0.00 0.01 0.00 0.00 72.50 71.10 1fww s THR 2156CO 0.00 0.19 1.72 0.41 -0.69 0.00 0.00 174.62 176.25 1fww n THR 2157N 2.01 0.31 -3.64 -0.82 -1.04 -0.42 -1.49 114.28 109.20 1fww n THR 2157Ca -0.17 -0.06 -0.29 0.00 -2.04 0.00 0.00 64.05 61.50 1fww n THR 2157Cb 0.54 -1.59 -0.12 0.00 -1.82 0.00 0.00 70.33 67.34 1fww n THR 2157CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1fww s PHE 2158N 2.66 1.79 0.00 -1.42 5.36 -0.67 -4.86 117.98 120.85 1fww s PHE 2158Ca 0.88 -2.36 0.00 0.00 -0.96 0.00 0.00 56.93 54.49 1fww s PHE 2158Cb -0.76 -1.65 0.00 0.00 -0.34 0.00 0.00 43.02 40.27 1fww s PHE 2158CO 0.49 -0.77 0.00 0.41 -1.46 0.00 0.00 175.22 173.88 1fww n GLY 2159N 3.37 -0.73 3.85 13.12 0.00 -1.26 -4.35 105.19 119.19 1fww n GLY 2159Ca 0.14 -1.15 -0.37 0.00 0.00 0.00 0.00 46.02 44.63 1fww n GLY 2159CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fww s TYR 2160N 0.00 3.67 -1.47 1.61 2.02 -1.26 -4.42 117.35 117.49 1fww s TYR 2160Ca 0.00 0.88 -0.12 0.00 -0.37 0.00 0.00 57.07 57.46 1fww s TYR 2160Cb 0.00 -2.21 0.08 0.00 -0.40 0.00 0.00 41.96 39.43 1fww s TYR 2160CO 0.00 0.61 0.77 0.09 -1.57 0.00 0.00 175.55 175.45 1fww n ASN 2161N 1.49 -4.50 -3.65 2.29 3.02 -1.26 -4.96 115.26 107.70 1fww n ASN 2161Ca -0.12 -0.62 -0.15 0.00 -0.03 0.00 0.00 54.58 53.65 1fww n ASN 2161Cb 0.53 -3.64 -0.08 0.00 -0.61 0.00 0.00 39.78 35.98 1fww n ASN 2161CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1fww s ASN 2162N -3.04 -0.45 0.06 6.41 3.04 -1.26 -4.10 114.94 115.59 1fww s ASN 2162Ca 0.55 0.52 0.06 0.00 0.04 0.00 0.00 52.86 54.03 1fww s ASN 2162Cb -0.28 0.54 -0.03 0.00 -1.54 0.00 0.00 41.25 39.94 1fww s ASN 2162CO 0.68 -0.47 -0.16 -0.76 -3.04 0.00 0.00 177.10 173.35 1fww s LEU 2163N -0.99 2.23 0.07 3.21 1.43 -1.26 -1.66 118.68 121.71 1fww s LEU 2163Ca -0.10 -0.56 0.07 0.00 -1.03 0.00 0.00 54.13 52.51 1fww s LEU 2163Cb -0.03 -0.65 -0.03 0.00 0.03 0.00 0.00 46.19 45.51 1fww s LEU 2163CO 0.06 0.01 -0.19 0.54 0.23 0.00 0.00 176.35 177.00 1fww s VAL 2164N -1.05 1.55 -0.35 -1.59 0.11 -0.55 -4.85 120.40 113.66 1fww s VAL 2164Ca 0.02 -1.34 -0.11 0.00 -2.93 0.00 0.00 61.98 57.62 1fww s VAL 2164Cb -0.09 -1.40 0.01 0.00 -1.53 0.00 0.00 36.38 33.37 1fww s VAL 2164CO 0.02 0.01 0.20 -0.69 -3.33 0.00 0.00 175.10 171.32 1fww s VAL 2165N -1.02 4.73 -0.66 2.04 1.01 -1.26 -0.58 120.40 124.66 1fww s VAL 2165Ca 0.05 -0.62 -0.20 0.00 0.00 0.00 0.00 61.98 61.22 1fww s VAL 2165Cb -0.09 -3.53 0.10 0.00 0.00 0.00 0.00 36.38 32.85 1fww s VAL 2165CO 0.03 -0.11 0.82 -0.62 0.00 0.00 0.00 175.10 175.22 1fww s ASP 2166N 1.61 6.25 0.00 3.32 -1.08 -1.26 -4.90 116.67 120.60 1fww s ASP 2166Ca 0.04 -1.43 0.06 0.00 -0.52 0.00 0.00 52.55 50.70 1fww s ASP 2166Cb -0.18 -2.34 0.28 0.00 -1.46 0.00 0.00 42.92 39.22 1fww s ASP 2166CO 0.07 -1.18 1.08 0.49 0.52 0.00 0.00 175.17 176.15 1fww n PHE 2167N 6.65 0.00 0.30 -5.34 3.01 -1.26 -1.27 117.46 119.54 1fww n PHE 2167Ca -0.04 0.00 0.19 0.00 1.01 0.00 0.00 57.45 58.61 1fww n PHE 2167Cb 0.44 -0.35 0.88 0.00 -0.01 0.00 0.00 39.48 40.43 1fww n PHE 2167CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1fww h ARG 2168N 0.00 0.00 -0.18 -1.08 3.08 -2.03 -2.83 114.38 111.34 1fww h ARG 2168Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1fww h ARG 2168Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1fww h ARG 2168CO 0.00 0.01 -0.18 0.66 -1.07 0.00 0.00 179.97 179.38 1fww h SER 2169N 0.00 0.30 0.65 7.04 4.64 -1.61 -3.03 113.55 121.54 1fww h SER 2169Ca -0.00 -0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.22 1fww h SER 2169Cb 0.33 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1fww h SER 2169CO 0.00 0.50 -0.40 -0.07 -0.87 0.00 0.00 176.83 175.99 1fww h LEU 2170N 0.28 -1.01 -1.45 5.97 4.07 -1.72 0.35 115.31 121.81 1fww h LEU 2170Ca 0.05 0.06 -0.03 0.00 0.08 0.00 0.00 57.88 58.03 1fww h LEU 2170Cb 0.49 0.29 -0.01 0.00 1.08 0.00 0.00 40.66 42.52 1fww h LEU 2170CO 0.03 -0.62 -0.00 1.55 -1.08 0.00 0.00 178.44 178.31 1fww h PRO 2171N -0.99 0.35 0.04 1.13 0.13 -1.74 -2.11 132.00 128.80 1fww h PRO 2171Ca -0.08 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1fww h PRO 2171Cb 0.80 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1fww h PRO 2171CO 0.08 0.38 -0.02 0.82 -0.23 0.00 0.00 178.00 179.04 1fww h ILE 2172N 0.34 1.20 0.00 -3.56 2.04 -1.38 -3.13 117.51 113.02 1fww h ILE 2172Ca 0.08 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 65.14 1fww h ILE 2172Cb 0.24 1.71 -0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1fww h ILE 2172CO 0.01 0.19 -0.16 0.24 0.00 0.00 0.00 178.15 178.43 1fww h MET 2173N -0.39 0.00 0.00 2.37 2.86 -0.82 -2.60 114.93 116.34 1fww h MET 2173Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1fww h MET 2173Cb 0.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1fww h MET 2173CO 0.01 0.16 0.00 -0.22 1.06 0.00 0.00 176.91 177.92 1fww h LYS 2174N 0.00 0.00 0.00 1.72 1.63 -1.32 -2.28 116.57 116.32 1fww h LYS 2174Ca -0.00 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 1fww h LYS 2174Cb 0.48 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.10 1fww h LYS 2174CO 0.02 0.00 -0.12 1.96 -3.45 0.00 0.00 179.45 177.86 1fww h GLN 2175N 0.00 0.00 0.00 1.90 4.20 -1.55 -3.30 115.11 116.36 1fww h GLN 2175Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1fww h GLN 2175Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1fww h GLN 2175CO 0.00 0.12 0.00 -2.67 -0.67 0.00 0.00 178.83 175.61 1fww n TRP 2176N -3.65 0.00 -3.60 2.96 2.14 -0.90 -5.11 117.44 109.28 1fww n TRP 2176Ca -0.02 -0.13 -0.04 0.00 2.07 0.00 0.00 57.50 59.38 1fww n TRP 2176Cb 0.24 -0.01 -0.02 0.00 -0.81 0.00 0.00 31.31 30.71 1fww n TRP 2176CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1fww s ALA 2177N -0.26 -1.98 0.43 -1.67 0.00 -0.98 -4.97 121.76 112.33 1fww s ALA 2177Ca 0.00 1.01 -0.23 0.00 0.00 0.00 0.00 51.96 52.74 1fww s ALA 2177Cb 0.00 0.25 -0.08 0.00 0.00 0.00 0.00 23.12 23.29 1fww s ALA 2177CO 0.00 -0.80 1.09 0.15 0.00 0.00 0.00 175.76 176.21 1fww s LYS 2178N -2.73 3.97 -0.11 0.00 1.02 -1.09 -4.05 119.74 116.75 1fww s LYS 2178Ca 0.10 1.60 0.02 0.00 0.02 0.00 0.00 55.97 57.71 1fww s LYS 2178Cb 0.00 -2.45 -0.01 0.00 -0.52 0.00 0.00 37.83 34.85 1fww s LYS 2178CO -0.04 -0.33 -0.18 0.08 -0.92 0.00 0.00 175.35 173.96 1fww s VAL 2179N -1.64 2.63 -0.02 3.17 1.01 -1.26 -1.22 120.40 123.07 1fww s VAL 2179Ca 0.61 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.82 1fww s VAL 2179Cb -0.24 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 1fww s VAL 2179CO 0.30 0.54 -0.18 -0.63 0.00 0.00 0.00 175.10 175.13 1fww s ILE 2180N 0.24 2.76 -0.23 2.22 -1.09 -0.03 0.13 121.20 125.20 1fww s ILE 2180Ca -0.12 -0.93 -0.07 0.00 -2.23 0.00 0.00 60.65 57.31 1fww s ILE 2180Cb -0.16 -2.08 -0.03 0.00 -1.58 0.00 0.00 42.46 38.61 1fww s ILE 2180CO 0.06 0.53 0.06 -0.47 -1.23 0.00 0.00 174.94 173.89 1fww s TYR 2181N -0.75 3.10 -0.61 3.97 5.04 -0.60 -0.55 117.35 126.95 1fww s TYR 2181Ca 0.12 -0.33 -0.24 0.00 -2.44 0.00 0.00 57.07 54.18 1fww s TYR 2181Cb -0.10 -2.18 0.05 0.00 0.35 0.00 0.00 41.96 40.08 1fww s TYR 2181CO 0.01 -0.24 0.97 0.34 -1.34 0.00 0.00 175.55 175.29 1fww s ASP 2182N 1.27 6.25 0.46 4.32 -1.08 0.41 -0.46 116.67 127.84 1fww s ASP 2182Ca 0.05 -0.64 0.26 0.00 -0.52 0.00 0.00 52.55 51.69 1fww s ASP 2182Cb -0.15 -2.44 0.76 0.00 -1.46 0.00 0.00 42.92 39.64 1fww s ASP 2182CO 0.03 -1.36 1.76 0.00 0.52 0.00 0.00 175.17 176.12 1fww h ALA 2183N 9.47 0.97 0.04 3.66 0.00 -1.34 -3.19 119.26 128.86 1fww h ALA 2183Ca -0.27 -0.09 -0.38 0.00 0.00 0.00 0.00 54.91 54.17 1fww h ALA 2183Cb 1.07 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 1fww h ALA 2183CO 1.14 0.13 -2.28 0.25 0.00 0.00 0.00 179.25 178.49 1fww n THR 2184N -3.17 1.59 0.26 0.00 -2.24 -1.26 -4.39 114.28 105.07 1fww n THR 2184Ca 0.02 -0.63 0.12 0.00 -2.27 0.00 0.00 64.05 61.29 1fww n THR 2184Cb 0.46 -1.44 0.20 0.00 -2.10 0.00 0.00 70.33 67.45 1fww n THR 2184CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1fww h HIS 2185N 0.02 0.00 0.00 4.78 3.86 -1.90 -3.28 115.15 118.64 1fww h HIS 2185Ca -0.51 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.70 1fww h HIS 2185Cb 1.98 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.45 1fww h HIS 2185CO 0.04 0.00 0.00 0.77 0.86 0.00 0.00 177.93 179.60 1fww h SER 2186N 0.00 0.00 -0.09 2.45 0.02 -1.65 -2.90 113.55 111.38 1fww h SER 2186Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1fww h SER 2186Cb 0.97 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.51 1fww h SER 2186CO 0.00 0.00 0.00 1.33 -1.14 0.00 0.00 176.83 177.02 1fww n VAL 2187N -3.06 0.16 -2.44 2.27 0.24 -1.23 -4.70 118.33 109.58 1fww n VAL 2187Ca -0.00 -0.58 -0.33 0.00 -2.04 0.00 0.00 64.34 61.39 1fww n VAL 2187Cb 0.25 1.17 -0.03 0.00 -1.47 0.00 0.00 33.84 33.76 1fww n VAL 2187CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fww s GLN 2188N -1.16 3.81 -0.48 7.34 -2.07 -1.10 -2.27 119.66 123.73 1fww s GLN 2188Ca 0.19 1.17 -0.10 0.00 -1.82 0.00 0.00 55.36 54.80 1fww s GLN 2188Cb 0.12 -2.11 0.12 0.00 -1.09 0.00 0.00 33.01 30.06 1fww s GLN 2188CO 0.18 -0.40 0.36 -0.51 -1.32 0.00 0.00 175.29 173.60 1fww s LEU 2189N -3.82 5.75 -0.02 2.60 1.43 -1.26 -4.36 118.68 119.00 1fww s LEU 2189Ca 0.63 -1.91 -0.39 0.00 -1.03 0.00 0.00 54.13 51.43 1fww s LEU 2189Cb -0.13 -2.03 -0.19 0.00 0.03 0.00 0.00 46.19 43.88 1fww s LEU 2189CO 0.25 -0.71 1.24 -2.65 0.23 0.00 0.00 176.35 174.72 1fww n PRO 2190N 4.93 0.48 -4.22 1.29 -0.02 -1.26 -4.65 135.00 131.55 1fww n PRO 2190Ca -0.08 0.17 -0.36 0.00 -2.02 0.00 0.00 63.50 61.21 1fww n PRO 2190Cb 0.41 -1.73 -0.06 0.00 -0.02 0.00 0.00 33.50 32.09 1fww n PRO 2190CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fww n GLY 2191N 2.18 -0.42 0.00 -1.23 0.00 -1.26 -4.33 105.19 100.13 1fww n GLY 2191Ca 0.20 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1fww n GLY 2191CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fww n GLY 2199N -1.00 4.58 2.98 -0.02 0.00 -1.26 -5.03 105.19 105.43 1fww n GLY 2199Ca 0.10 -1.55 -0.31 0.00 0.00 0.00 0.00 46.02 44.26 1fww n GLY 2199CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1fww s MET 2200N -0.60 1.79 0.44 1.61 -1.94 -0.96 -4.85 119.30 114.79 1fww s MET 2200Ca 0.00 -1.13 0.10 0.00 -1.71 0.00 0.00 55.69 52.95 1fww s MET 2200Cb 0.00 -2.69 0.99 0.00 2.01 0.00 0.00 34.83 35.14 1fww s MET 2200CO 0.00 -0.61 2.09 -0.09 -0.01 0.00 0.00 175.02 176.40 1fww h ARG 2201N 7.89 0.37 0.00 2.03 2.43 -1.90 -2.43 114.38 122.77 1fww h ARG 2201Ca -0.18 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 1fww h ARG 2201Cb 1.06 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 1fww h ARG 2201CO 0.43 0.25 0.04 1.05 -1.51 0.00 0.00 179.97 180.22 1fww h GLU 2202N 0.38 0.00 -0.01 0.20 4.11 -1.94 -1.77 114.58 115.55 1fww h GLU 2202Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.53 1fww h GLU 2202Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1fww h GLU 2202CO -0.02 0.00 -0.74 1.19 0.07 0.00 0.00 179.01 179.51 1fww n PHE 2203N -2.52 0.00 0.29 2.06 3.72 -0.91 -4.57 117.46 115.53 1fww n PHE 2203Ca -0.02 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.21 1fww n PHE 2203Cb 0.08 -0.01 -0.08 0.00 -0.94 0.00 0.00 39.48 38.52 1fww n PHE 2203CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1fww h ILE 2204N 1.06 0.21 0.02 4.37 2.04 -1.45 -2.49 117.51 121.27 1fww h ILE 2204Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1fww h ILE 2204Cb 0.61 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1fww h ILE 2204CO 0.00 0.00 -0.01 0.15 0.00 0.00 0.00 178.15 178.29 1fww h PHE 2205N -0.88 -0.03 -0.65 1.37 -0.00 -1.81 -1.89 116.94 113.06 1fww h PHE 2205Ca -0.05 -0.00 0.11 0.00 -0.00 0.00 0.00 57.97 58.03 1fww h PHE 2205Cb 0.75 0.01 -0.08 0.00 -0.00 0.00 0.00 35.95 36.62 1fww h PHE 2205CO -0.17 0.08 0.23 -1.35 -0.00 0.00 0.00 178.31 177.10 1fww h PRO 2206N -0.13 0.38 0.00 6.41 0.11 -1.80 -1.12 132.00 135.85 1fww h PRO 2206Ca -0.00 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.95 1fww h PRO 2206Cb 0.12 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 1fww h PRO 2206CO 0.00 0.25 -0.66 -0.07 -0.21 0.00 0.00 178.00 177.31 1fww h LEU 2207N 0.39 0.00 -0.83 2.35 3.38 -1.37 -2.51 115.31 116.72 1fww h LEU 2207Ca 0.34 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.19 1fww h LEU 2207Cb 0.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1fww h LEU 2207CO -0.36 0.66 -0.53 -0.29 0.09 0.00 0.00 178.44 178.01 1fww h ILE 2208N 0.00 1.37 -0.53 1.22 2.10 -0.71 -1.15 117.51 119.81 1fww h ILE 2208Ca -0.01 -1.80 -0.07 0.00 1.08 0.00 0.00 64.86 64.06 1fww h ILE 2208Cb 1.21 1.91 -0.02 0.00 -1.09 0.00 0.00 36.82 38.84 1fww h ILE 2208CO 0.09 0.53 0.06 0.03 -1.08 0.00 0.00 178.15 177.77 1fww h ARG 2209N 0.12 0.89 -0.57 2.19 3.08 -0.98 -2.62 114.38 116.49 1fww h ARG 2209Ca 0.00 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 59.79 1fww h ARG 2209Cb 0.97 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.90 1fww h ARG 2209CO 0.08 0.88 0.34 0.00 -1.07 0.00 0.00 179.97 180.20 1fww h ALA 2210N 0.97 0.73 -0.37 0.04 0.00 -1.10 -1.59 119.26 117.94 1fww h ALA 2210Ca 0.16 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1fww h ALA 2210Cb 0.44 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1fww h ALA 2210CO 0.02 0.21 0.06 0.00 0.00 0.00 0.00 179.25 179.54 1fww h ALA 2211N 1.17 0.39 -0.03 0.00 0.00 -0.92 0.84 119.26 120.71 1fww h ALA 2211Ca 0.21 0.08 -0.14 0.00 0.00 0.00 0.00 54.91 55.05 1fww h ALA 2211Cb -0.01 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1fww h ALA 2211CO -0.04 -0.34 -0.63 -0.39 0.00 0.00 0.00 179.25 177.85 1fww h VAL 2212N 0.18 1.43 -0.59 0.00 -1.51 -1.32 0.43 116.25 114.87 1fww h VAL 2212Ca 0.18 -2.10 -0.08 0.00 -1.23 0.00 0.00 66.70 63.46 1fww h VAL 2212Cb 0.21 2.11 -0.02 0.00 -2.13 0.00 0.00 31.29 31.46 1fww h VAL 2212CO -0.24 0.61 0.04 0.00 -1.23 0.00 0.00 177.57 176.74 1fww h ALA 2213N 1.28 0.96 -0.11 5.19 0.00 -0.62 -2.93 119.26 123.02 1fww h ALA 2213Ca -0.01 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 1fww h ALA 2213Cb 1.13 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1fww h ALA 2213CO 0.09 0.64 -0.27 0.28 0.00 0.00 0.00 179.25 179.99 1fww h VAL 2214N 0.92 1.39 0.00 0.00 2.07 -0.67 -3.47 116.25 116.48 1fww h VAL 2214Ca 0.17 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 66.12 1fww h VAL 2214Cb 0.48 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1fww h VAL 2214CO 0.02 0.46 0.00 0.61 0.02 0.00 0.00 177.57 178.68 1fww n GLY 2215N 0.49 2.93 3.43 2.17 0.00 0.13 -4.82 105.19 109.52 1fww n GLY 2215Ca -0.07 -1.01 -0.15 0.00 0.00 0.00 0.00 46.02 44.78 1fww n GLY 2215CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fww n ASP 2217N -1.31 1.64 0.00 0.00 8.00 0.12 -4.98 116.55 120.01 1fww n ASP 2217Ca 0.02 -1.32 0.00 0.00 0.71 0.00 0.00 54.79 54.21 1fww n ASP 2217Cb 0.62 0.61 0.00 0.00 -0.02 0.00 0.00 41.12 42.33 1fww n ASP 2217CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fww n GLY 2218N 1.36 0.51 3.17 0.44 0.00 -1.13 -1.28 105.19 108.26 1fww n GLY 2218Ca 0.07 -0.89 -0.19 0.00 0.00 0.00 0.00 46.02 45.01 1fww n GLY 2218CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fww s VAL 2219N -2.00 1.14 -0.14 1.61 1.01 0.10 -1.56 120.40 120.55 1fww s VAL 2219Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 60.78 1fww s VAL 2219Cb 0.00 -1.07 -0.00 0.00 0.00 0.00 0.00 36.38 35.31 1fww s VAL 2219CO 0.00 -0.13 -0.15 0.12 0.00 0.00 0.00 175.10 174.93 1fww s PHE 2220N -1.11 2.77 -0.07 5.22 2.19 0.39 -0.74 117.98 126.63 1fww s PHE 2220Ca -0.00 -0.94 -0.03 0.00 0.33 0.00 0.00 56.93 56.29 1fww s PHE 2220Cb -0.09 -1.86 0.04 0.00 -1.31 0.00 0.00 43.02 39.79 1fww s PHE 2220CO 0.02 -0.40 0.13 -1.64 1.83 0.00 0.00 175.22 175.16 1fww s MET 2221N 0.66 0.04 -0.01 10.12 -1.94 0.38 -0.96 119.30 127.59 1fww s MET 2221Ca -0.08 0.44 -0.25 0.00 -1.71 0.00 0.00 55.69 54.09 1fww s MET 2221Cb -0.16 -0.26 -0.04 0.00 2.01 0.00 0.00 34.83 36.38 1fww s MET 2221CO 0.02 -0.24 0.76 -1.21 -0.01 0.00 0.00 175.02 174.34 1fww s GLU 2222N 1.74 4.47 0.02 2.03 2.02 -1.26 -2.88 118.70 124.84 1fww s GLU 2222Ca -0.03 1.01 0.03 0.00 0.02 0.00 0.00 54.97 56.01 1fww s GLU 2222Cb -0.12 -3.41 -0.01 0.00 0.10 0.00 0.00 34.13 30.68 1fww s GLU 2222CO -0.05 0.14 -0.09 -0.08 0.02 0.00 0.00 175.26 175.20 1fww s THR 2223N 0.46 0.71 -0.05 3.63 -1.32 -0.18 -0.69 115.64 118.20 1fww s THR 2223Ca 0.40 -0.70 -0.06 0.00 -1.21 0.00 0.00 61.69 60.11 1fww s THR 2223Cb -0.19 -0.66 0.01 0.00 -1.51 0.00 0.00 72.50 70.15 1fww s THR 2223CO 0.21 -0.03 0.16 -2.28 -2.21 0.00 0.00 174.62 170.47 1fww s HIS 2224N -0.67 -0.14 0.26 9.09 5.04 -0.21 -2.42 115.29 126.24 1fww s HIS 2224Ca -0.01 0.33 -0.02 0.00 -1.54 0.00 0.00 55.06 53.81 1fww s HIS 2224Cb -0.06 0.04 0.46 0.00 0.04 0.00 0.00 32.58 33.06 1fww s HIS 2224CO 0.00 -0.12 1.81 -1.35 -2.34 0.00 0.00 174.74 172.73 1fww h PRO 2225N 5.58 0.78 -2.40 2.88 0.11 -1.94 -2.02 132.00 134.98 1fww h PRO 2225Ca -0.26 -0.05 -0.59 0.00 0.11 0.00 0.00 66.00 65.21 1fww h PRO 2225Cb 1.20 -0.18 -0.39 0.00 0.11 0.00 0.00 31.00 31.74 1fww h PRO 2225CO 0.41 0.52 -0.92 0.39 -0.21 0.00 0.00 178.00 178.19 1fww n GLU 2226N -4.74 0.66 -0.33 1.05 1.02 -1.26 -4.44 120.64 112.60 1fww n GLU 2226Ca 0.16 -3.46 0.20 0.00 -0.02 0.00 0.00 57.16 54.03 1fww n GLU 2226Cb 0.33 -1.72 0.39 0.00 -0.02 0.00 0.00 31.44 30.42 1fww n GLU 2226CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1fww h PRO 2227N 5.23 0.06 -0.09 3.49 0.11 -1.85 0.16 132.00 139.10 1fww h PRO 2227Ca 0.21 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.34 1fww h PRO 2227Cb 0.87 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 1fww h PRO 2227CO 0.46 0.04 0.19 1.05 -0.21 0.00 0.00 178.00 179.53 1fww h GLU 2228N 0.06 0.00 -0.01 1.05 4.11 -1.93 -0.10 114.58 117.75 1fww h GLU 2228Ca 0.67 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.10 1fww h GLU 2228Cb 1.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.78 1fww h GLU 2228CO -0.81 0.00 -0.51 1.63 0.07 0.00 0.00 179.01 179.39 1fww n LYS 2229N -3.37 1.23 -1.60 1.06 5.02 0.54 -4.99 118.16 116.05 1fww n LYS 2229Ca -0.00 -0.81 -0.39 0.00 -2.02 0.00 0.00 58.31 55.09 1fww n LYS 2229Cb 0.28 -1.42 0.04 0.00 -0.02 0.00 0.00 35.03 33.91 1fww n LYS 2229CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fww n ALA 2230N -0.26 0.08 1.32 7.82 0.00 -0.05 -4.88 120.51 124.54 1fww n ALA 2230Ca 0.08 0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.73 1fww n ALA 2230Cb 0.41 -2.08 0.42 0.00 0.00 0.00 0.00 19.45 18.21 1fww n ALA 2230CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1fww n LEU 2231N -0.19 1.14 -3.76 0.00 4.77 -1.26 -4.63 117.00 113.08 1fww n LEU 2231Ca 0.12 -0.32 -0.13 0.00 -0.03 0.00 0.00 56.01 55.64 1fww n LEU 2231Cb 0.44 -0.09 -0.09 0.00 -2.33 0.00 0.00 43.42 41.35 1fww n LEU 2231CO 0.52 0.21 0.02 -0.55 -1.33 0.00 0.00 177.39 176.26 1fww s SER 2232N -2.37 -0.23 -1.06 -1.43 0.15 -1.26 -4.49 113.70 103.01 1fww s SER 2232Ca 0.28 0.24 -0.15 0.00 0.70 0.00 0.00 55.95 57.02 1fww s SER 2232Cb 0.20 0.41 0.02 0.00 -1.71 0.00 0.00 66.02 64.94 1fww s SER 2232CO 0.47 -0.37 0.28 0.47 1.20 0.00 0.00 173.24 175.29 1fww n ASP 2233N 1.67 -1.32 0.10 5.45 8.00 -1.26 -4.82 116.55 124.37 1fww n ASP 2233Ca -0.19 -1.00 -0.04 0.00 0.71 0.00 0.00 54.79 54.26 1fww n ASP 2233Cb 0.56 -1.22 0.13 0.00 -0.02 0.00 0.00 41.12 40.57 1fww n ASP 2233CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fww h ALA 2234N 1.57 0.86 0.00 2.24 0.00 -1.82 -2.41 119.26 119.71 1fww h ALA 2234Ca -0.53 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 53.81 1fww h ALA 2234Cb 1.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1fww h ALA 2234CO 0.47 0.77 0.00 0.43 0.00 0.00 0.00 179.25 180.92 1fww n SER 2235N -3.82 0.54 0.00 0.00 7.64 -1.26 -3.93 113.62 112.79 1fww n SER 2235Ca -0.02 0.59 0.00 0.00 1.01 0.00 0.00 58.87 60.45 1fww n SER 2235Cb 0.64 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 1fww n SER 2235CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1fww n THR 2236N -2.05 0.00 -2.30 0.44 -2.24 -1.19 -4.06 114.28 102.89 1fww n THR 2236Ca 0.04 -0.38 -0.42 0.00 -2.27 0.00 0.00 64.05 61.02 1fww n THR 2236Cb 0.30 1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 69.55 1fww n THR 2236CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1fww s GLN 2237N -0.59 4.41 0.20 -0.78 -0.21 -0.91 -4.84 119.66 116.94 1fww s GLN 2237Ca 0.00 1.94 -0.30 0.00 0.02 0.00 0.00 55.36 57.03 1fww s GLN 2237Cb 0.00 -3.25 -0.08 0.00 1.00 0.00 0.00 33.01 30.68 1fww s GLN 2237CO 0.00 -0.24 1.13 -1.17 -2.12 0.00 0.00 175.29 172.88 1fww s LEU 2238N 0.35 4.49 0.19 2.90 2.96 0.13 -4.74 118.68 124.96 1fww s LEU 2238Ca 0.58 2.16 -0.31 0.00 -0.22 0.00 0.00 54.13 56.33 1fww s LEU 2238Cb -0.34 -3.61 -0.10 0.00 0.50 0.00 0.00 46.19 42.64 1fww s LEU 2238CO 0.34 -0.25 1.53 -2.84 -1.32 0.00 0.00 176.35 173.81 1fww s PRO 2239N -0.51 4.23 0.30 0.98 0.02 -1.26 -1.04 135.00 137.72 1fww s PRO 2239Ca 0.49 2.34 0.05 0.00 0.02 0.00 0.00 61.00 63.90 1fww s PRO 2239Cb -0.31 -3.14 0.77 0.00 0.02 0.00 0.00 34.50 31.84 1fww s PRO 2239CO 0.36 -0.55 1.68 1.25 -0.33 0.00 0.00 177.00 179.41 1fww h LEU 2240N 6.31 0.31 -2.89 -5.54 6.46 -1.58 -0.50 115.31 117.89 1fww h LEU 2240Ca -0.43 0.17 -0.00 0.00 -0.12 0.00 0.00 57.88 57.49 1fww h LEU 2240Cb 1.21 0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 41.29 1fww h LEU 2240CO 0.88 -0.04 -0.00 0.77 -0.62 0.00 0.00 178.44 179.42 1fww h SER 2241N 0.37 0.00 0.17 1.25 4.64 -1.89 -2.18 113.55 115.91 1fww h SER 2241Ca 0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 1fww h SER 2241Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1fww h SER 2241CO -0.56 0.00 -0.51 0.00 -0.87 0.00 0.00 176.83 174.89 1fww n GLN 2242N -3.11 0.62 -0.02 4.77 6.02 -0.20 -4.48 117.38 120.98 1fww n GLN 2242Ca -0.03 -0.45 -0.10 0.00 -0.01 0.00 0.00 57.00 56.41 1fww n GLN 2242Cb 0.08 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 29.81 1fww n GLN 2242CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1fww h LEU 2243N 1.10 0.17 -0.24 1.08 5.85 -1.43 -2.70 115.31 119.15 1fww h LEU 2243Ca 0.00 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.76 1fww h LEU 2243Cb 0.58 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 1fww h LEU 2243CO 0.00 0.12 -0.02 -0.08 -0.34 0.00 0.00 178.44 178.12 1fww h GLU 2244N 0.20 0.05 -0.72 1.25 4.81 -1.78 -1.04 114.58 117.34 1fww h GLU 2244Ca 0.06 -0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.37 1fww h GLU 2244Cb -0.02 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.28 1fww h GLU 2244CO -0.01 0.03 0.38 0.78 -0.73 0.00 0.00 179.01 179.45 1fww h GLY 2245N 0.05 1.07 1.27 1.92 0.00 -1.81 -0.83 103.07 104.74 1fww h GLY 2245Ca 0.11 -0.25 -0.14 0.00 0.00 0.00 0.00 47.33 47.06 1fww h GLY 2245CO -0.21 0.10 -0.34 -2.22 0.00 0.00 0.00 176.54 173.86 1fww h ILE 2246N 0.65 1.28 -0.23 2.60 2.04 -1.13 -1.65 117.51 121.08 1fww h ILE 2246Ca 0.34 -1.51 -0.02 0.00 1.00 0.00 0.00 64.86 64.67 1fww h ILE 2246Cb 0.32 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1fww h ILE 2246CO -0.24 0.50 0.06 0.40 0.00 0.00 0.00 178.15 178.87 1fww h ILE 2247N 0.68 1.20 -0.94 -0.67 2.04 -0.66 -0.52 117.51 118.64 1fww h ILE 2247Ca 0.07 -0.66 0.02 0.00 1.00 0.00 0.00 64.86 65.29 1fww h ILE 2247Cb 0.90 1.21 -0.05 0.00 -0.74 0.00 0.00 36.82 38.14 1fww h ILE 2247CO 0.08 0.21 0.62 -0.08 0.00 0.00 0.00 178.15 178.98 1fww h GLU 2248N 0.19 1.21 -0.17 2.37 4.57 -1.13 -1.30 114.58 120.32 1fww h GLU 2248Ca 0.07 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1fww h GLU 2248Cb 0.26 -0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 1fww h GLU 2248CO -0.00 0.80 0.09 0.00 -1.18 0.00 0.00 179.01 178.72 1fww h ALA 2249N 1.36 0.22 0.00 2.92 0.00 -0.95 -1.66 119.26 121.14 1fww h ALA 2249Ca 0.35 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 1fww h ALA 2249Cb -0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1fww h ALA 2249CO -0.09 -0.24 -0.26 -0.84 0.00 0.00 0.00 179.25 177.82 1fww h ILE 2250N 0.16 0.74 -0.21 0.00 3.07 -0.78 -1.68 117.51 118.80 1fww h ILE 2250Ca 0.06 -1.12 -0.13 0.00 1.55 0.00 0.00 64.86 65.22 1fww h ILE 2250Cb 0.09 1.70 0.00 0.00 -0.27 0.00 0.00 36.82 38.34 1fww h ILE 2250CO -0.01 0.26 -0.38 -0.07 -1.05 0.00 0.00 178.15 176.90 1fww h LEU 2251N 0.00 0.69 -0.53 0.16 3.38 -0.94 -0.43 115.31 117.65 1fww h LEU 2251Ca -0.00 -0.54 -0.04 0.00 0.09 0.00 0.00 57.88 57.39 1fww h LEU 2251Cb 0.68 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1fww h LEU 2251CO 0.03 1.10 0.18 -0.33 0.09 0.00 0.00 178.44 179.51 1fww h GLU 2252N 0.31 0.81 -0.39 1.13 5.08 -1.08 -0.18 114.58 120.26 1fww h GLU 2252Ca 0.01 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.14 1fww h GLU 2252Cb 0.98 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 1fww h GLU 2252CO 0.09 0.74 -0.00 0.82 -1.00 0.00 0.00 179.01 179.65 1fww h ILE 2253N 0.72 1.26 -0.60 3.13 2.04 -1.29 -2.83 117.51 119.94 1fww h ILE 2253Ca 0.17 -1.01 0.02 0.00 1.00 0.00 0.00 64.86 65.04 1fww h ILE 2253Cb 0.26 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 1fww h ILE 2253CO -0.01 0.34 0.38 -0.09 0.00 0.00 0.00 178.15 178.78 1fww h ARG 2254N 0.52 0.75 -0.56 2.37 2.43 -0.92 0.10 114.38 119.08 1fww h ARG 2254Ca 0.11 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.32 1fww h ARG 2254Cb 0.48 -0.17 -0.07 0.00 -0.42 0.00 0.00 29.97 29.79 1fww h ARG 2254CO 0.02 0.50 0.19 1.49 -1.51 0.00 0.00 179.97 180.66 1fww h GLU 2255N 0.77 0.36 0.02 0.20 4.22 -0.84 0.31 114.58 119.62 1fww h GLU 2255Ca 0.23 -0.02 -0.14 0.00 0.08 0.00 0.00 59.36 59.51 1fww h GLU 2255Cb -0.04 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.14 1fww h GLU 2255CO -0.07 0.24 -0.56 0.28 -2.18 0.00 0.00 179.01 176.71 1fww h VAL 2256N 0.37 1.47 -0.14 0.32 2.07 -1.26 -3.36 116.25 115.73 1fww h VAL 2256Ca 0.28 -2.14 -0.13 0.00 0.82 0.00 0.00 66.70 65.53 1fww h VAL 2256Cb 0.33 2.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.84 1fww h VAL 2256CO -0.29 0.61 -0.48 0.00 0.02 0.00 0.00 177.57 177.43 1fww h ALA 2257N 0.26 0.92 -0.83 1.67 0.00 -0.59 -3.22 119.26 117.46 1fww h ALA 2257Ca -0.08 -0.47 0.24 0.00 0.00 0.00 0.00 54.91 54.61 1fww h ALA 2257Cb 1.31 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1fww h ALA 2257CO 0.11 0.65 0.67 0.66 0.00 0.00 0.00 179.25 181.34 1fww h SER 2258N 0.28 0.00 -0.40 0.00 4.64 -0.53 0.34 113.55 117.88 1fww h SER 2258Ca 0.02 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.43 1fww h SER 2258Cb 0.95 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.02 1fww h SER 2258CO 0.08 0.00 0.28 0.50 -0.87 0.00 0.00 176.83 176.82 1fww h LYS 2259N 0.00 0.09 -0.23 4.77 3.64 -1.76 -2.46 116.57 120.62 1fww h LYS 2259Ca 0.40 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1fww h LYS 2259Cb 1.73 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.53 1fww h LYS 2259CO -0.00 0.06 0.00 0.66 -2.27 0.00 0.00 179.45 177.90 1fww n TYR 2260N -4.44 0.27 -1.80 1.91 4.02 0.12 -4.97 117.16 112.27 1fww n TYR 2260Ca 0.06 -0.15 -0.42 0.00 -0.01 0.00 0.00 57.90 57.38 1fww n TYR 2260Cb 0.41 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.70 1fww n TYR 2260CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1fww s TYR 2261N -1.57 2.94 0.51 -0.72 2.02 -0.93 -4.95 117.35 114.65 1fww s TYR 2261Ca 0.32 0.47 -0.20 0.00 -0.37 0.00 0.00 57.07 57.28 1fww s TYR 2261Cb 0.20 -4.07 -0.07 0.00 -0.40 0.00 0.00 41.96 37.62 1fww s TYR 2261CO 0.28 -3.97 1.11 -1.21 -1.57 0.00 0.00 175.55 170.19 1fww s GLU 2262N 1.00 3.55 -0.11 -0.62 8.01 -1.26 -4.98 118.70 124.29 1fww s GLU 2262Ca 0.72 1.57 -0.30 0.00 0.01 0.00 0.00 54.97 56.98 1fww s GLU 2262Cb -0.48 -2.10 -0.02 0.00 -4.31 0.00 0.00 34.13 27.22 1fww s GLU 2262CO 0.33 -0.68 1.19 0.99 0.01 0.00 0.00 175.26 177.11 1fww s THR 2263N -1.78 4.34 0.00 3.63 2.01 -1.26 -5.15 115.64 117.42 1fww s THR 2263Ca 0.70 1.64 0.00 0.00 0.31 0.00 0.00 61.69 64.33 1fww s THR 2263Cb -0.23 -4.05 0.00 0.00 0.01 0.00 0.00 72.50 68.23 1fww s THR 2263CO 0.26 -0.06 0.00 0.00 -0.69 0.00 0.00 174.62 174.13