#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t96 n PHE 2004N 0.00 2.21 -3.67 5.58 -0.00 -1.25 -4.62 117.46 115.71 1t96 n PHE 2004Ca 0.00 0.36 -0.37 0.00 -0.00 0.00 0.00 57.45 57.45 1t96 n PHE 2004Cb 0.00 -2.50 -0.06 0.00 -0.00 0.00 0.00 39.48 36.92 1t96 n PHE 2004CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 1t96 s LEU 2005N 0.42 4.36 -0.25 -2.13 2.96 -0.68 -0.57 118.68 122.79 1t96 s LEU 2005Ca 0.73 0.60 -0.01 0.00 -0.22 0.00 0.00 54.13 55.23 1t96 s LEU 2005Cb -0.66 -2.30 0.08 0.00 0.50 0.00 0.00 46.19 43.80 1t96 s LEU 2005CO 0.45 0.28 0.05 -0.69 -1.32 0.00 0.00 176.35 175.12 1t96 s VAL 2006N -0.53 0.81 -0.27 1.68 1.01 -0.22 -0.62 120.40 122.26 1t96 s VAL 2006Ca 0.17 -1.03 -0.14 0.00 0.00 0.00 0.00 61.98 60.98 1t96 s VAL 2006Cb -0.14 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1t96 s VAL 2006CO 0.06 -0.41 0.33 -0.63 0.00 0.00 0.00 175.10 174.46 1t96 s ILE 2007N 1.69 5.21 0.12 2.22 1.01 0.11 -1.17 121.20 130.39 1t96 s ILE 2007Ca 0.03 0.48 -0.15 0.00 0.00 0.00 0.00 60.65 61.01 1t96 s ILE 2007Cb -0.17 -3.66 0.03 0.00 0.01 0.00 0.00 42.46 38.67 1t96 s ILE 2007CO -0.16 0.18 0.38 0.00 0.00 0.00 0.00 174.94 175.34 1t96 s ALA 2008N 1.97 -0.86 0.00 9.38 0.00 -0.27 -0.52 121.76 131.46 1t96 s ALA 2008Ca 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 51.98 1t96 s ALA 2008Cb -0.16 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.64 1t96 s ALA 2008CO 0.10 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 175.64 1t96 n GLY 2009N -0.21 -2.05 3.78 0.00 0.00 -1.18 -1.00 105.19 104.53 1t96 n GLY 2009Ca -0.16 -1.37 -0.37 0.00 0.00 0.00 0.00 46.02 44.11 1t96 n GLY 2009CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1t96 s PRO 2010N -1.92 4.46 0.12 1.61 0.04 -1.12 -0.32 135.00 137.87 1t96 s PRO 2010Ca 0.00 1.47 -0.31 0.00 0.04 0.00 0.00 61.00 62.20 1t96 s PRO 2010Cb 0.00 -2.80 -0.09 0.00 0.04 0.00 0.00 34.50 31.65 1t96 s PRO 2010CO 0.00 0.14 1.57 0.00 0.04 0.00 0.00 177.00 178.75 1t96 s ALA 2012N -5.81 2.85 -1.25 0.00 0.00 -1.26 -1.30 121.76 114.99 1t96 s ALA 2012Ca -0.16 -1.38 -0.18 0.00 0.00 0.00 0.00 51.96 50.25 1t96 s ALA 2012Cb 0.08 -0.74 0.08 0.00 0.00 0.00 0.00 23.12 22.54 1t96 s ALA 2012CO 0.63 0.55 1.66 0.42 0.00 0.00 0.00 175.76 179.02 1t96 s ILE 2013N -1.39 4.22 0.21 0.00 1.01 -0.33 -4.74 121.20 120.18 1t96 s ILE 2013Ca 0.22 -1.88 0.30 0.00 0.00 0.00 0.00 60.65 59.29 1t96 s ILE 2013Cb -0.10 -5.14 0.32 0.00 0.01 0.00 0.00 42.46 37.55 1t96 s ILE 2013CO 0.13 -1.96 1.97 -0.33 0.00 0.00 0.00 174.94 174.75 1t96 h GLU 2014N 7.78 0.00 0.00 2.79 5.08 -1.96 -3.41 114.58 124.87 1t96 h GLU 2014Ca 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1t96 h GLU 2014Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1t96 h GLU 2014CO 1.42 0.10 0.00 -1.13 -1.00 0.00 0.00 179.01 178.41 1t96 n SER 2015N -3.30 0.00 0.28 1.42 3.41 -1.26 -4.99 113.62 109.17 1t96 n SER 2015Ca -0.00 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.77 1t96 n SER 2015Cb 0.32 0.00 0.77 0.00 -0.26 0.00 0.00 64.21 65.04 1t96 n SER 2015CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1t96 h GLU 2016N 0.00 0.00 0.17 4.33 4.11 -1.94 -2.21 114.58 119.05 1t96 h GLU 2016Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.44 1t96 h GLU 2016Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1t96 h GLU 2016CO 0.00 0.06 -0.19 1.49 0.07 0.00 0.00 179.01 180.45 1t96 h GLU 2017N 0.00 -0.38 -0.65 1.06 4.81 -1.99 0.09 114.58 117.52 1t96 h GLU 2017Ca -0.00 0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.33 1t96 h GLU 2017Cb 0.40 0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.81 1t96 h GLU 2017CO 0.01 -0.26 0.33 1.25 -0.73 0.00 0.00 179.01 179.61 1t96 h LEU 2018N -0.40 0.46 -1.60 1.64 5.85 -1.80 -1.60 115.31 117.87 1t96 h LEU 2018Ca 0.01 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1t96 h LEU 2018Cb 0.38 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1t96 h LEU 2018CO -0.06 0.29 0.28 -0.07 -0.34 0.00 0.00 178.44 178.54 1t96 h LEU 2019N 0.60 0.47 -0.11 2.25 3.38 -0.98 -1.49 115.31 119.44 1t96 h LEU 2019Ca 0.30 -0.01 -0.24 0.00 0.09 0.00 0.00 57.88 58.02 1t96 h LEU 2019Cb 0.25 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1t96 h LEU 2019CO -0.21 0.34 -1.01 -0.07 0.09 0.00 0.00 178.44 177.57 1t96 h LEU 2020N 0.56 0.50 -0.29 1.67 3.38 -0.10 0.89 115.31 121.91 1t96 h LEU 2020Ca 0.15 -0.43 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 1t96 h LEU 2020Cb -0.06 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1t96 h LEU 2020CO -0.03 1.25 0.01 0.50 0.09 0.00 0.00 178.44 180.25 1t96 h LYS 2021N 0.19 0.51 -0.27 1.13 3.64 -0.89 -0.54 116.57 120.34 1t96 h LYS 2021Ca -0.09 -0.16 -0.15 0.00 -1.27 0.00 0.00 60.65 58.97 1t96 h LYS 2021Cb 1.67 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.44 1t96 h LYS 2021CO 0.17 0.65 -0.46 0.28 -2.27 0.00 0.00 179.45 177.83 1t96 h VAL 2022N 0.30 1.30 -0.96 2.00 2.07 -1.33 -3.00 116.25 116.63 1t96 h VAL 2022Ca 0.08 -1.65 0.04 0.00 0.82 0.00 0.00 66.70 65.99 1t96 h VAL 2022Cb 0.42 1.58 -0.06 0.00 -1.52 0.00 0.00 31.29 31.72 1t96 h VAL 2022CO 0.01 0.53 0.63 1.23 0.02 0.00 0.00 177.57 179.99 1t96 h GLY 2023N 0.95 1.40 0.90 2.17 0.00 -0.58 -1.92 103.07 105.98 1t96 h GLY 2023Ca 0.03 -0.47 0.02 0.00 0.00 0.00 0.00 47.33 46.92 1t96 h GLY 2023CO 0.09 0.40 0.45 -2.09 0.00 0.00 0.00 176.54 175.40 1t96 h GLU 2024N 1.20 0.87 -0.28 4.80 4.81 -0.95 0.10 114.58 125.13 1t96 h GLU 2024Ca 0.39 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.41 1t96 h GLU 2024Cb 0.03 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.21 1t96 h GLU 2024CO -0.12 0.58 -0.42 1.49 -0.73 0.00 0.00 179.01 179.80 1t96 h GLU 2025N 0.90 0.78 -0.46 1.92 4.57 -1.46 -1.20 114.58 119.63 1t96 h GLU 2025Ca 0.28 -0.46 -0.07 0.00 -1.18 0.00 0.00 59.36 57.93 1t96 h GLU 2025Cb -0.01 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 1t96 h GLU 2025CO -0.10 1.09 0.00 0.82 -1.18 0.00 0.00 179.01 179.65 1t96 h ILE 2026N 0.53 1.24 -0.15 2.32 2.04 -1.08 0.20 117.51 122.61 1t96 h ILE 2026Ca 0.03 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 64.92 1t96 h ILE 2026Cb 1.02 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 1t96 h ILE 2026CO 0.10 0.34 0.09 0.50 0.00 0.00 0.00 178.15 179.18 1t96 h LYS 2027N 0.70 0.20 -0.65 2.37 1.63 -0.61 0.66 116.57 120.87 1t96 h LYS 2027Ca 0.14 -0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.97 1t96 h LYS 2027Cb 0.43 -0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 31.97 1t96 h LYS 2027CO 0.02 0.15 0.39 -0.09 -3.45 0.00 0.00 179.45 176.47 1t96 h ARG 2028N 0.18 0.72 -0.23 1.90 2.43 -0.47 -1.72 114.38 117.19 1t96 h ARG 2028Ca 0.05 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 1t96 h ARG 2028Cb 0.00 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 1t96 h ARG 2028CO -0.01 0.48 -0.22 -0.07 -1.51 0.00 0.00 179.97 178.64 1t96 h LEU 2029N 0.74 0.41 -1.19 3.80 -0.00 -0.62 -1.97 115.31 116.49 1t96 h LEU 2029Ca 0.28 -0.13 -0.07 0.00 -0.00 0.00 0.00 57.88 57.96 1t96 h LEU 2029Cb 0.09 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 40.63 1t96 h LEU 2029CO -0.14 0.64 -0.23 0.77 -0.00 0.00 0.00 178.44 179.49 1t96 h SER 2030N 0.38 0.27 0.69 -0.43 4.64 -0.03 0.34 113.55 119.40 1t96 h SER 2030Ca 0.06 -0.08 -0.18 0.00 -0.47 0.00 0.00 61.79 61.13 1t96 h SER 2030Cb 0.60 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 1t96 h SER 2030CO 0.04 0.51 -0.82 -0.33 -0.87 0.00 0.00 176.83 175.37 1t96 h GLU 2031N 0.26 0.09 0.14 4.77 4.39 -0.96 -3.29 114.58 119.98 1t96 h GLU 2031Ca 0.04 -0.09 -0.29 0.00 0.34 0.00 0.00 59.36 59.36 1t96 h GLU 2031Cb 0.55 0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.23 1t96 h GLU 2031CO 0.04 0.85 -1.31 -0.22 -1.16 0.00 0.00 179.01 177.21 1t96 h LYS 2032N 0.05 0.30 -2.60 2.33 3.64 -0.63 -3.38 116.57 116.29 1t96 h LYS 2032Ca -0.02 -0.52 -0.69 0.00 -1.27 0.00 0.00 60.65 58.14 1t96 h LYS 2032Cb 1.43 0.19 -0.36 0.00 -0.41 0.00 0.00 32.23 33.08 1t96 h LYS 2032CO 0.11 1.24 -0.00 1.19 -2.27 0.00 0.00 179.45 179.72 1t96 n PHE 2033N -3.55 3.17 0.14 1.91 3.01 0.11 -4.91 117.46 117.34 1t96 n PHE 2033Ca -0.11 -3.54 0.18 0.00 1.01 0.00 0.00 57.45 54.99 1t96 n PHE 2033Cb 1.04 -0.89 0.77 0.00 -0.01 0.00 0.00 39.48 40.38 1t96 n PHE 2033CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1t96 h LYS 2034N 4.86 0.00 -0.09 -1.08 1.79 -1.75 -1.25 116.57 119.05 1t96 h LYS 2034Ca 0.20 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 1t96 h LYS 2034Cb 0.66 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 1t96 h LYS 2034CO 1.03 0.00 0.00 -0.85 -1.08 0.00 0.00 179.45 178.55 1t96 n GLU 2035N -3.99 1.37 -4.60 3.15 0.00 -1.26 -4.79 120.64 110.52 1t96 n GLU 2035Ca 0.04 -0.56 -0.33 0.00 0.00 0.00 0.00 57.16 56.31 1t96 n GLU 2035Cb 0.43 -1.34 -0.13 0.00 0.00 0.00 0.00 31.44 30.40 1t96 n GLU 2035CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1t96 s VAL 2036N -1.89 3.49 -0.44 3.84 1.01 -0.47 -3.82 120.40 122.11 1t96 s VAL 2036Ca 0.30 -0.51 -0.22 0.00 0.00 0.00 0.00 61.98 61.54 1t96 s VAL 2036Cb 0.15 -2.49 0.02 0.00 0.00 0.00 0.00 36.38 34.06 1t96 s VAL 2036CO 0.23 0.52 0.75 -0.70 0.00 0.00 0.00 175.10 175.90 1t96 s GLU 2037N 0.20 3.41 0.01 2.72 2.12 0.26 -4.97 118.70 122.46 1t96 s GLU 2037Ca -0.05 -0.13 -0.19 0.00 0.36 0.00 0.00 54.97 54.95 1t96 s GLU 2037Cb -0.14 -3.93 -0.06 0.00 0.26 0.00 0.00 34.13 30.26 1t96 s GLU 2037CO 0.04 -1.06 0.56 -0.06 -0.54 0.00 0.00 175.26 174.20 1t96 s PHE 2038N 3.15 3.72 -0.10 5.30 0.40 -1.26 -1.06 117.98 128.13 1t96 s PHE 2038Ca 0.28 1.18 0.01 0.00 -0.60 0.00 0.00 56.93 57.80 1t96 s PHE 2038Cb -0.13 -2.54 0.02 0.00 0.51 0.00 0.00 43.02 40.89 1t96 s PHE 2038CO 0.21 0.45 -0.11 0.08 0.70 0.00 0.00 175.22 176.55 1t96 s VAL 2039N -0.53 1.21 -0.19 -0.44 1.01 -0.31 -4.18 120.40 116.97 1t96 s VAL 2039Ca 0.29 -0.45 -0.27 0.00 0.00 0.00 0.00 61.98 61.55 1t96 s VAL 2039Cb -0.18 -1.15 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 1t96 s VAL 2039CO 0.17 0.39 0.91 0.12 0.00 0.00 0.00 175.10 176.69 1t96 s PHE 2040N 1.20 3.40 0.10 5.22 5.36 0.03 -1.11 117.98 132.16 1t96 s PHE 2040Ca -0.04 1.34 0.09 0.00 -0.96 0.00 0.00 56.93 57.37 1t96 s PHE 2040Cb -0.14 -3.11 -0.04 0.00 -0.34 0.00 0.00 43.02 39.39 1t96 s PHE 2040CO -0.03 -0.33 -0.22 0.21 -1.46 0.00 0.00 175.22 173.39 1t96 s LYS 2041N 2.51 1.71 -0.27 10.12 2.36 -0.17 -1.35 119.74 134.65 1t96 s LYS 2041Ca 0.41 -1.19 -0.27 0.00 -2.55 0.00 0.00 55.97 52.37 1t96 s LYS 2041Cb -0.16 -2.03 0.16 0.00 -1.05 0.00 0.00 37.83 34.74 1t96 s LYS 2041CO 0.11 0.49 1.22 0.45 1.55 0.00 0.00 175.35 179.17 1t96 s SER 2042N -1.84 -0.23 -0.16 1.43 0.15 -1.15 -3.45 113.70 108.45 1t96 s SER 2042Ca 0.15 0.39 -0.15 0.00 0.70 0.00 0.00 55.95 57.04 1t96 s SER 2042Cb -0.10 0.37 -0.04 0.00 -1.71 0.00 0.00 66.02 64.54 1t96 s SER 2042CO 0.06 -0.12 0.36 -0.44 1.20 0.00 0.00 173.24 174.30 1t96 s SER 2043N -0.27 6.49 0.21 5.45 0.01 -0.42 -4.49 113.70 120.68 1t96 s SER 2043Ca 0.05 0.57 0.26 0.00 1.31 0.00 0.00 55.95 58.14 1t96 s SER 2043Cb -0.04 -2.22 0.82 0.00 0.21 0.00 0.00 66.02 64.80 1t96 s SER 2043CO -0.08 0.04 1.78 2.22 0.41 0.00 0.00 173.24 177.60 1t96 n PHE 2044N 3.81 0.91 -3.69 2.43 1.16 -1.26 -1.19 117.46 119.63 1t96 n PHE 2044Ca -0.10 0.27 -0.10 0.00 -1.87 0.00 0.00 57.45 55.65 1t96 n PHE 2044Cb 0.52 -0.93 -0.10 0.00 -1.61 0.00 0.00 39.48 37.35 1t96 n PHE 2044CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1t96 s ASP 2045N -4.49 -0.59 -0.75 5.98 2.15 -1.25 -3.94 116.67 113.78 1t96 s ASP 2045Ca 0.11 1.00 -0.16 0.00 0.43 0.00 0.00 52.55 53.92 1t96 s ASP 2045Cb 0.12 0.88 0.17 0.00 -0.30 0.00 0.00 42.92 43.80 1t96 s ASP 2045CO 0.59 -0.20 0.77 -0.54 -0.17 0.00 0.00 175.17 175.62 1t96 s LYS 2046N 1.36 3.39 0.33 4.34 -0.14 0.61 -4.92 119.74 124.71 1t96 s LYS 2046Ca -0.09 -2.00 0.26 0.00 -1.36 0.00 0.00 55.97 52.78 1t96 s LYS 2046Cb -0.07 -4.46 1.01 0.00 -1.68 0.00 0.00 37.83 32.63 1t96 s LYS 2046CO -0.13 -1.43 1.78 0.00 -0.76 0.00 0.00 175.35 174.82 1t96 h ALA 2047N 8.41 1.00 -1.01 5.17 0.00 -1.95 -3.35 119.26 127.53 1t96 h ALA 2047Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.47 1t96 h ALA 2047Cb 1.06 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.44 1t96 h ALA 2047CO 0.93 0.00 -1.05 0.27 0.00 0.00 0.00 179.25 179.40 1t96 n ASN 2048N -2.50 2.46 -4.74 0.00 6.94 -1.26 -5.09 115.26 111.06 1t96 n ASN 2048Ca 0.02 -2.90 -0.38 0.00 -0.02 0.00 0.00 54.58 51.30 1t96 n ASN 2048Cb 0.30 -0.49 0.05 0.00 -2.36 0.00 0.00 39.78 37.28 1t96 n ASN 2048CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1t96 s ARG 2049N -3.36 2.87 0.17 -3.83 1.81 -1.26 -4.89 118.95 110.45 1t96 s ARG 2049Ca 0.34 2.18 -0.15 0.00 -1.72 0.00 0.00 55.73 56.38 1t96 s ARG 2049Cb 0.42 -2.08 0.06 0.00 -0.45 0.00 0.00 34.95 32.90 1t96 s ARG 2049CO -0.03 -1.39 1.82 0.77 -0.68 0.00 0.00 175.30 175.80 1t96 h SER 2050N 1.05 0.50 -2.77 0.23 0.02 -1.98 -3.43 113.55 107.17 1t96 h SER 2050Ca -0.51 -0.01 -0.65 0.00 -0.84 0.00 0.00 61.79 59.78 1t96 h SER 2050Cb 1.32 -0.12 -0.06 0.00 0.14 0.00 0.00 62.40 63.68 1t96 h SER 2050CO 0.55 0.36 -0.49 -0.55 -1.14 0.00 0.00 176.83 175.56 1t96 s SER 2051N -5.59 6.32 0.52 3.07 0.15 -1.26 -4.99 113.70 111.92 1t96 s SER 2051Ca -0.13 0.38 0.28 0.00 0.70 0.00 0.00 55.95 57.17 1t96 s SER 2051Cb 0.12 -2.00 1.41 0.00 -1.71 0.00 0.00 66.02 63.84 1t96 s SER 2051CO 0.73 0.32 2.05 -0.29 1.20 0.00 0.00 173.24 177.25 1t96 h ILE 2052N 3.28 0.54 -0.29 6.45 6.09 -2.02 -2.69 117.51 128.87 1t96 h ILE 2052Ca -0.51 -0.58 0.00 0.00 -1.37 0.00 0.00 64.86 62.39 1t96 h ILE 2052Cb 1.20 1.39 0.00 0.00 0.47 0.00 0.00 36.82 39.88 1t96 h ILE 2052CO 0.64 0.12 0.00 1.41 -3.07 0.00 0.00 178.15 177.26 1t96 n HIS 2053N -3.59 0.38 -2.53 2.19 8.25 -1.26 -4.95 115.22 113.73 1t96 n HIS 2053Ca -0.02 -0.19 -0.23 0.00 -0.26 0.00 0.00 57.72 57.02 1t96 n HIS 2053Cb 0.26 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.44 1t96 n HIS 2053CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1t96 s SER 2054N -1.22 4.84 0.07 0.41 0.01 -1.02 -5.05 113.70 111.75 1t96 s SER 2054Ca 0.27 -0.04 -0.30 0.00 1.31 0.00 0.00 55.95 57.19 1t96 s SER 2054Cb 0.14 -0.62 -0.05 0.00 0.21 0.00 0.00 66.02 65.70 1t96 s SER 2054CO 0.20 -1.50 1.14 0.12 0.41 0.00 0.00 173.24 173.61 1t96 s PHE 2055N -3.00 3.51 -0.10 2.43 5.36 -1.26 -4.93 117.98 120.00 1t96 s PHE 2055Ca 0.61 1.44 0.02 0.00 -0.96 0.00 0.00 56.93 58.04 1t96 s PHE 2055Cb -0.09 -3.33 -0.07 0.00 -0.34 0.00 0.00 43.02 39.19 1t96 s PHE 2055CO 0.42 -0.89 -0.07 0.54 -1.46 0.00 0.00 175.22 173.76 1t96 n ARG 2056N 3.67 0.73 -0.20 10.12 1.74 -1.26 -4.73 116.66 126.74 1t96 n ARG 2056Ca 0.07 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 1t96 n ARG 2056Cb 0.47 -1.20 0.00 0.00 -1.02 0.00 0.00 32.46 30.71 1t96 n ARG 2056CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1t96 n GLY 2057N 2.93 0.89 0.60 -0.13 0.00 -1.26 -0.29 105.19 107.93 1t96 n GLY 2057Ca -0.17 -1.87 0.06 0.00 0.00 0.00 0.00 46.02 44.04 1t96 n GLY 2057CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1t96 n HIS 2058N 9.00 0.50 0.00 1.61 8.25 -1.25 -5.05 115.22 128.27 1t96 n HIS 2058Ca 0.00 -0.59 0.00 0.00 -0.26 0.00 0.00 57.72 56.87 1t96 n HIS 2058Cb 0.00 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.02 1t96 n HIS 2058CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1t96 n GLY 2059N 0.15 2.47 0.30 -1.41 0.00 -1.25 -4.43 105.19 101.01 1t96 n GLY 2059Ca 0.12 -1.84 -0.08 0.00 0.00 0.00 0.00 46.02 44.22 1t96 n GLY 2059CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1t96 h LEU 2060N 0.00 1.01 0.12 0.99 5.85 -1.98 -0.37 115.31 120.93 1t96 h LEU 2060Ca 0.00 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1t96 h LEU 2060Cb 0.00 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.76 1t96 h LEU 2060CO 0.00 1.00 -0.06 -0.08 -0.34 0.00 0.00 178.44 178.96 1t96 h GLU 2061N 0.98 -0.16 -0.57 1.25 4.81 -1.98 0.27 114.58 119.19 1t96 h GLU 2061Ca 0.20 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 1t96 h GLU 2061Cb 0.40 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 1t96 h GLU 2061CO 0.01 0.11 0.31 -0.92 -0.73 0.00 0.00 179.01 177.78 1t96 h TYR 2062N -0.42 0.76 -0.19 0.92 3.20 -1.76 -2.13 116.97 117.34 1t96 h TYR 2062Ca -0.02 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.80 1t96 h TYR 2062Cb 0.34 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1t96 h TYR 2062CO 0.01 0.54 -0.04 0.78 -1.64 0.00 0.00 178.16 177.81 1t96 h GLY 2063N 0.86 0.39 1.82 1.82 0.00 -0.72 -2.01 103.07 105.23 1t96 h GLY 2063Ca 0.20 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.17 1t96 h GLY 2063CO -0.03 0.29 -0.11 -2.08 0.00 0.00 0.00 176.54 174.60 1t96 h VAL 2064N 0.09 1.17 -0.24 4.60 2.07 -0.29 -1.84 116.25 121.81 1t96 h VAL 2064Ca 0.05 -0.72 -0.13 0.00 0.82 0.00 0.00 66.70 66.72 1t96 h VAL 2064Cb 0.47 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1t96 h VAL 2064CO 0.02 0.23 -0.34 0.50 0.02 0.00 0.00 177.57 177.99 1t96 h LYS 2065N 0.22 0.65 -0.50 1.57 3.64 -1.29 -1.48 116.57 119.37 1t96 h LYS 2065Ca 0.05 -0.38 -0.05 0.00 -1.27 0.00 0.00 60.65 58.99 1t96 h LYS 2065Cb 0.34 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1t96 h LYS 2065CO 0.02 0.99 0.10 0.00 -2.27 0.00 0.00 179.45 178.30 1t96 h ALA 2066N 0.65 0.66 0.00 5.00 0.00 -1.05 -1.29 119.26 123.23 1t96 h ALA 2066Ca 0.02 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1t96 h ALA 2066Cb 0.93 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1t96 h ALA 2066CO 0.08 0.37 -0.32 -0.07 0.00 0.00 0.00 179.25 179.31 1t96 h LEU 2067N 0.69 0.00 -0.48 0.00 3.38 -1.33 -1.72 115.31 115.85 1t96 h LEU 2067Ca 0.15 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.97 1t96 h LEU 2067Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1t96 h LEU 2067CO 0.01 0.32 -0.43 -0.09 0.09 0.00 0.00 178.44 178.34 1t96 h ARG 2068N 0.00 0.78 -0.41 1.13 2.43 -0.76 -1.85 114.38 115.70 1t96 h ARG 2068Ca -0.00 -0.43 -0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1t96 h ARG 2068Cb 0.57 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 1t96 h ARG 2068CO 0.04 1.05 0.24 -0.22 -1.51 0.00 0.00 179.97 179.58 1t96 h LYS 2069N 0.63 0.56 -0.23 0.20 1.63 -0.47 -0.48 116.57 118.43 1t96 h LYS 2069Ca 0.04 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1t96 h LYS 2069Cb 0.99 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.49 1t96 h LYS 2069CO 0.09 0.43 0.15 0.28 -3.45 0.00 0.00 179.45 176.95 1t96 h VAL 2070N 0.54 1.05 -0.66 2.00 2.07 -1.17 0.24 116.25 120.31 1t96 h VAL 2070Ca 0.15 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 1t96 h VAL 2070Cb 0.02 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1t96 h VAL 2070CO -0.03 0.05 0.31 0.50 0.02 0.00 0.00 177.57 178.43 1t96 h LYS 2071N 0.30 0.94 0.07 1.57 3.64 -1.08 -0.04 116.57 121.97 1t96 h LYS 2071Ca 0.09 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1t96 h LYS 2071Cb -0.02 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.62 1t96 h LYS 2071CO -0.03 0.73 -0.04 1.49 -2.27 0.00 0.00 179.45 179.33 1t96 h GLU 2072N 0.93 -0.10 0.00 1.90 4.81 -0.72 0.22 114.58 121.62 1t96 h GLU 2072Ca 0.23 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.42 1t96 h GLU 2072Cb 0.10 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1t96 h GLU 2072CO -0.03 0.45 -0.20 1.49 -0.73 0.00 0.00 179.01 179.99 1t96 h GLU 2073N -0.74 0.00 0.00 1.92 4.81 -0.46 -3.32 114.58 116.80 1t96 h GLU 2073Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1t96 h GLU 2073Cb 0.59 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.97 1t96 h GLU 2073CO 0.02 0.20 0.00 1.19 -0.73 0.00 0.00 179.01 179.69 1t96 n PHE 2074N -4.27 0.00 -1.89 0.92 3.72 -0.04 -5.01 117.46 110.89 1t96 n PHE 2074Ca -0.02 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.24 1t96 n PHE 2074Cb 0.26 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.77 1t96 n PHE 2074CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1t96 n GLY 2075N 0.54 0.48 3.86 1.37 0.00 0.76 -4.99 105.19 107.21 1t96 n GLY 2075Ca 0.00 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 1t96 n GLY 2075CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t96 s LEU 2076N -3.46 4.36 0.73 0.99 1.43 -1.24 -5.05 118.68 116.43 1t96 s LEU 2076Ca 0.00 0.87 -0.12 0.00 -1.03 0.00 0.00 54.13 53.85 1t96 s LEU 2076Cb 0.00 -3.01 0.03 0.00 0.03 0.00 0.00 46.19 43.24 1t96 s LEU 2076CO 0.00 0.17 1.09 -0.54 0.23 0.00 0.00 176.35 177.30 1t96 s LYS 2077N -1.84 2.51 0.11 1.70 1.02 -1.26 -4.42 119.74 117.56 1t96 s LYS 2077Ca 0.33 1.21 0.08 0.00 0.02 0.00 0.00 55.97 57.61 1t96 s LYS 2077Cb -0.14 -1.93 -0.04 0.00 -0.52 0.00 0.00 37.83 35.20 1t96 s LYS 2077CO 0.18 -1.45 -0.21 0.42 -0.92 0.00 0.00 175.35 173.37 1t96 s ILE 2078N -2.74 1.71 -0.15 2.17 -1.09 -1.26 -0.79 121.20 119.04 1t96 s ILE 2078Ca 0.63 -1.57 -0.13 0.00 -2.23 0.00 0.00 60.65 57.34 1t96 s ILE 2078Cb -0.18 -1.57 0.04 0.00 -1.58 0.00 0.00 42.46 39.17 1t96 s ILE 2078CO 0.51 -0.09 0.40 0.28 -1.23 0.00 0.00 174.94 174.81 1t96 s THR 2079N -1.25 -0.01 0.12 2.92 -1.32 -0.46 -0.25 115.64 115.41 1t96 s THR 2079Ca 0.07 0.02 -0.14 0.00 -1.21 0.00 0.00 61.69 60.43 1t96 s THR 2079Cb -0.10 -0.56 0.02 0.00 -1.51 0.00 0.00 72.50 70.35 1t96 s THR 2079CO 0.04 0.01 0.35 0.28 -2.21 0.00 0.00 174.62 173.10 1t96 s THR 2080N 0.47 0.08 0.04 5.08 -1.32 -1.24 -2.95 115.64 115.81 1t96 s THR 2080Ca -0.02 -0.78 -0.06 0.00 -1.21 0.00 0.00 61.69 59.62 1t96 s THR 2080Cb -0.04 -1.28 -0.05 0.00 -1.51 0.00 0.00 72.50 69.62 1t96 s THR 2080CO -0.02 -0.38 0.29 1.51 -2.21 0.00 0.00 174.62 173.81 1t96 s ASP 2081N -2.83 6.49 0.24 8.08 -4.77 -1.26 -1.64 116.67 120.97 1t96 s ASP 2081Ca 0.05 0.55 0.07 0.00 -3.30 0.00 0.00 52.55 49.92 1t96 s ASP 2081Cb 0.02 -2.08 -0.04 0.00 -1.09 0.00 0.00 42.92 39.74 1t96 s ASP 2081CO -0.10 0.20 0.12 0.27 0.70 0.00 0.00 175.17 176.35 1t96 s ILE 2082N -1.40 4.12 0.00 2.11 -4.36 -0.90 -4.78 121.20 116.00 1t96 s ILE 2082Ca 0.31 -1.49 0.00 0.00 -0.26 0.00 0.00 60.65 59.21 1t96 s ILE 2082Cb -0.13 -3.19 0.00 0.00 1.25 0.00 0.00 42.46 40.39 1t96 s ILE 2082CO 0.19 -0.30 0.00 1.41 0.24 0.00 0.00 174.94 176.48 1t96 n HIS 2083N -0.89 0.00 -3.79 1.37 8.25 -1.26 -4.41 115.22 114.49 1t96 n HIS 2083Ca -0.08 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.26 1t96 n HIS 2083Cb 0.57 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.59 1t96 n HIS 2083CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1t96 s GLU 2084N -1.19 0.61 0.32 -0.41 2.02 -1.26 -5.08 118.70 113.71 1t96 s GLU 2084Ca 0.00 -0.23 0.10 0.00 0.02 0.00 0.00 54.97 54.86 1t96 s GLU 2084Cb 0.00 0.26 0.89 0.00 0.10 0.00 0.00 34.13 35.39 1t96 s GLU 2084CO 0.00 -0.16 1.73 0.77 0.02 0.00 0.00 175.26 177.62 1t96 h SER 2085N 4.04 0.67 0.36 -0.19 0.02 -1.91 -1.71 113.55 114.83 1t96 h SER 2085Ca -0.30 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1t96 h SER 2085Cb 1.18 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1t96 h SER 2085CO 0.40 0.10 0.00 4.11 -1.14 0.00 0.00 176.83 180.30 1t96 h TRP 2086N 0.57 0.00 0.00 3.45 5.08 -1.98 -2.79 115.95 120.29 1t96 h TRP 2086Ca 0.65 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.62 1t96 h TRP 2086Cb 1.24 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.40 1t96 h TRP 2086CO -0.01 0.00 -0.13 1.96 -1.28 0.00 0.00 178.44 178.98 1t96 h GLN 2087N 0.00 0.00 0.37 0.12 4.20 -1.74 -3.38 115.11 114.68 1t96 h GLN 2087Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1t96 h GLN 2087Cb 0.18 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 1t96 h GLN 2087CO 0.00 0.00 -0.44 0.00 -0.67 0.00 0.00 178.83 177.72 1t96 h ALA 2088N 2.16 -0.93 0.07 3.87 0.00 -1.66 -2.22 119.26 120.55 1t96 h ALA 2088Ca 0.00 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.79 1t96 h ALA 2088Cb 0.92 0.66 -0.05 0.00 0.00 0.00 0.00 17.79 19.32 1t96 h ALA 2088CO 0.00 -1.07 -0.33 1.49 0.00 0.00 0.00 179.25 179.34 1t96 h GLU 2089N -0.84 -0.51 -0.43 0.00 4.81 -1.80 0.21 114.58 116.02 1t96 h GLU 2089Ca -0.03 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1t96 h GLU 2089Cb 0.77 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.24 1t96 h GLU 2089CO -0.11 -0.34 0.19 -1.00 -0.73 0.00 0.00 179.01 177.02 1t96 h PRO 2090N -0.53 0.60 -0.18 0.92 0.13 -1.77 -2.57 132.00 128.60 1t96 h PRO 2090Ca 0.04 -0.07 -0.18 0.00 -0.87 0.00 0.00 66.00 64.92 1t96 h PRO 2090Cb 0.58 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.60 1t96 h PRO 2090CO -0.23 0.48 -0.64 0.28 -0.23 0.00 0.00 178.00 177.67 1t96 h VAL 2091N 0.60 1.31 -0.25 1.56 2.07 -1.05 -3.08 116.25 117.42 1t96 h VAL 2091Ca 0.15 -1.89 0.07 0.00 0.82 0.00 0.00 66.70 65.85 1t96 h VAL 2091Cb 0.10 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 1t96 h VAL 2091CO -0.02 0.59 0.33 0.00 0.02 0.00 0.00 177.57 178.49 1t96 h ALA 2092N 0.82 1.85 -0.52 1.67 0.00 -0.16 0.41 119.26 123.32 1t96 h ALA 2092Ca -0.01 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1t96 h ALA 2092Cb 1.22 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1t96 h ALA 2092CO 0.12 -0.46 0.35 0.93 0.00 0.00 0.00 179.25 180.19 1t96 h GLU 2093N 0.00 0.52 0.00 0.00 4.39 -1.51 -3.30 114.58 114.68 1t96 h GLU 2093Ca 0.12 -0.03 -0.14 0.00 0.34 0.00 0.00 59.36 59.64 1t96 h GLU 2093Cb 0.77 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.28 1t96 h GLU 2093CO -0.00 0.34 -1.55 0.28 -1.16 0.00 0.00 179.01 176.93 1t96 n VAL 2094N -4.47 0.55 -2.46 3.13 0.31 -0.36 -5.01 118.33 110.01 1t96 n VAL 2094Ca 0.06 -0.25 -0.42 0.00 -0.01 0.00 0.00 64.34 63.72 1t96 n VAL 2094Cb 0.19 -0.83 -0.03 0.00 -0.91 0.00 0.00 33.84 32.26 1t96 n VAL 2094CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1t96 s ALA 2095N -2.19 3.54 0.10 3.52 0.00 -0.01 -4.51 121.76 122.21 1t96 s ALA 2095Ca -0.10 0.56 0.10 0.00 0.00 0.00 0.00 51.96 52.52 1t96 s ALA 2095Cb 0.03 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.62 1t96 s ALA 2095CO 0.25 -0.87 1.40 -0.44 0.00 0.00 0.00 175.76 176.11 1t96 h ASP 2096N 7.64 0.00 -3.31 0.00 3.32 -0.92 -3.43 116.42 119.71 1t96 h ASP 2096Ca -0.32 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.26 1t96 h ASP 2096Cb 1.14 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.34 1t96 h ASP 2096CO 0.91 0.79 -0.79 -0.63 -1.72 0.00 0.00 179.24 177.80 1t96 s ILE 2097N -2.99 0.75 -0.15 0.35 1.01 -0.78 -2.35 121.20 117.03 1t96 s ILE 2097Ca 0.01 -0.17 -0.18 0.00 0.00 0.00 0.00 60.65 60.31 1t96 s ILE 2097Cb 0.10 -0.78 -0.04 0.00 0.01 0.00 0.00 42.46 41.75 1t96 s ILE 2097CO 0.79 0.30 0.47 -0.63 0.00 0.00 0.00 174.94 175.86 1t96 s ILE 2098N 1.39 5.17 -0.21 2.92 1.01 0.10 -3.59 121.20 127.99 1t96 s ILE 2098Ca -0.03 0.90 -0.11 0.00 0.00 0.00 0.00 60.65 61.42 1t96 s ILE 2098Cb -0.13 -3.80 -0.05 0.00 0.01 0.00 0.00 42.46 38.48 1t96 s ILE 2098CO -0.03 0.28 0.17 -1.58 0.00 0.00 0.00 174.94 173.77 1t96 s GLN 2099N 0.99 4.15 -0.30 2.79 0.74 -0.65 -0.52 119.66 126.87 1t96 s GLN 2099Ca 0.24 -0.20 -0.13 0.00 0.05 0.00 0.00 55.36 55.32 1t96 s GLN 2099Cb -0.15 -3.47 -0.04 0.00 1.10 0.00 0.00 33.01 30.45 1t96 s GLN 2099CO 0.09 0.19 0.27 0.42 -0.55 0.00 0.00 175.29 175.71 1t96 s ILE 2100N 0.68 5.25 0.61 -2.34 -1.09 0.14 -2.11 121.20 122.34 1t96 s ILE 2100Ca 0.09 0.20 -0.18 0.00 -2.23 0.00 0.00 60.65 58.53 1t96 s ILE 2100Cb -0.12 -3.65 -0.05 0.00 -1.58 0.00 0.00 42.46 37.06 1t96 s ILE 2100CO 0.01 0.13 0.95 -2.65 -1.23 0.00 0.00 174.94 172.16 1t96 n PRO 2101N 5.19 0.86 -0.15 2.79 -0.02 -1.26 -1.14 135.00 141.28 1t96 n PRO 2101Ca -0.12 0.34 -0.04 0.00 -2.02 0.00 0.00 63.50 61.66 1t96 n PRO 2101Cb 0.51 -2.16 0.05 0.00 -0.02 0.00 0.00 33.50 31.88 1t96 n PRO 2101CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t96 h ALA 2102N 0.44 0.57 0.00 3.55 0.00 -1.89 -1.67 119.26 120.25 1t96 h ALA 2102Ca -0.48 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1t96 h ALA 2102Cb 1.37 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 1t96 h ALA 2102CO 0.50 -0.20 -0.03 0.74 0.00 0.00 0.00 179.25 180.26 1t96 h PHE 2103N 0.37 0.00 -0.52 0.00 0.04 -1.92 -2.93 116.94 111.98 1t96 h PHE 2103Ca 0.22 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.99 1t96 h PHE 2103Cb 0.20 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.35 1t96 h PHE 2103CO -0.14 0.03 0.00 1.28 -0.60 0.00 0.00 178.31 178.88 1t96 n LEU 2104N -3.18 3.42 0.20 1.54 4.77 -0.69 -4.58 117.00 118.48 1t96 n LEU 2104Ca -0.01 -1.93 0.13 0.00 -0.03 0.00 0.00 56.01 54.17 1t96 n LEU 2104Cb 0.24 -0.35 0.71 0.00 -2.33 0.00 0.00 43.42 41.70 1t96 n LEU 2104CO 0.26 0.84 0.91 0.00 -1.33 0.00 0.00 177.39 178.07 1t96 n GLY 2106N -1.25 0.41 3.55 0.00 0.00 -1.26 -4.89 105.19 101.75 1t96 n GLY 2106Ca -0.02 -0.59 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 1t96 n GLY 2106CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1t96 s GLN 2107N -1.93 3.06 0.24 1.61 -1.52 -0.47 -4.89 119.66 115.76 1t96 s GLN 2107Ca 0.21 -0.08 -0.06 0.00 -1.95 0.00 0.00 55.36 53.48 1t96 s GLN 2107Cb 0.17 -4.32 0.43 0.00 -0.22 0.00 0.00 33.01 29.07 1t96 s GLN 2107CO 0.35 -2.33 1.67 1.15 -0.25 0.00 0.00 175.29 175.89 1t96 h THR 2108N 6.31 0.48 -0.58 -0.19 2.02 -1.90 -1.66 112.91 117.39 1t96 h THR 2108Ca -0.24 -0.07 -0.05 0.00 0.77 0.00 0.00 66.41 66.82 1t96 h THR 2108Cb 1.07 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 1t96 h THR 2108CO 1.27 0.04 0.17 0.44 0.37 0.00 0.00 175.52 177.81 1t96 h ASP 2109N 0.21 0.81 -0.46 4.18 3.32 -1.98 -0.29 116.42 122.20 1t96 h ASP 2109Ca 0.40 -0.13 -0.08 0.00 0.02 0.00 0.00 57.03 57.23 1t96 h ASP 2109Cb 0.68 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 1t96 h ASP 2109CO -0.54 0.77 -0.03 0.25 -1.72 0.00 0.00 179.24 177.96 1t96 h LEU 2110N 0.84 0.83 -0.07 1.55 5.85 -1.70 -0.46 115.31 122.14 1t96 h LEU 2110Ca 0.19 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 1t96 h LEU 2110Cb 0.26 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 1t96 h LEU 2110CO -0.01 0.95 0.03 -0.07 -0.34 0.00 0.00 178.44 179.01 1t96 h LEU 2111N 0.68 0.10 -0.94 2.25 3.38 -1.10 -1.99 115.31 117.70 1t96 h LEU 2111Ca 0.13 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1t96 h LEU 2111Cb 0.55 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1t96 h LEU 2111CO 0.03 0.22 0.32 -0.07 0.09 0.00 0.00 178.44 179.03 1t96 h LEU 2112N -0.03 1.00 -0.95 1.67 3.38 -0.96 -0.92 115.31 118.50 1t96 h LEU 2112Ca 0.03 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1t96 h LEU 2112Cb 0.15 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1t96 h LEU 2112CO -0.00 0.87 0.06 0.00 0.09 0.00 0.00 178.44 179.45 1t96 h ALA 2113N 1.28 1.14 -0.25 1.53 0.00 -0.96 -0.74 119.26 121.26 1t96 h ALA 2113Ca 0.25 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1t96 h ALA 2113Cb 0.17 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1t96 h ALA 2113CO -0.03 0.56 -0.21 0.00 0.00 0.00 0.00 179.25 179.57 1t96 h ALA 2114N 1.28 0.36 -0.58 0.00 0.00 -0.83 -3.09 119.26 116.40 1t96 h ALA 2114Ca 0.16 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1t96 h ALA 2114Cb 0.39 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1t96 h ALA 2114CO 0.01 0.30 0.16 0.00 0.00 0.00 0.00 179.25 179.73 1t96 h ALA 2115N 0.69 1.19 -0.19 0.00 0.00 -0.93 -2.90 119.26 117.13 1t96 h ALA 2115Ca 0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1t96 h ALA 2115Cb 0.76 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1t96 h ALA 2115CO 0.05 0.56 0.08 -0.22 0.00 0.00 0.00 179.25 179.72 1t96 h LYS 2116N 0.85 0.25 0.00 0.00 3.64 -1.06 -2.10 116.57 118.16 1t96 h LYS 2116Ca 0.19 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1t96 h LYS 2116Cb 0.28 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1t96 h LYS 2116CO -0.00 0.21 0.00 0.25 -2.27 0.00 0.00 179.45 177.64 1t96 n THR 2117N -4.46 1.48 0.00 1.00 -2.24 -1.09 -4.84 114.28 104.12 1t96 n THR 2117Ca -0.00 0.39 0.00 0.00 -2.27 0.00 0.00 64.05 62.17 1t96 n THR 2117Cb 0.11 -1.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.06 1t96 n THR 2117CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1t96 n GLY 2118N -0.79 2.75 3.73 3.38 0.00 -0.79 -5.02 105.19 108.45 1t96 n GLY 2118Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1t96 n GLY 2118CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1t96 s ARG 2119N -0.11 0.36 0.47 1.61 1.81 -1.26 -4.90 118.95 116.93 1t96 s ARG 2119Ca 0.00 0.18 -0.20 0.00 -1.72 0.00 0.00 55.73 54.00 1t96 s ARG 2119Cb 0.00 -1.76 -0.09 0.00 -0.45 0.00 0.00 34.95 32.65 1t96 s ARG 2119CO 0.00 -2.70 0.99 0.00 -0.68 0.00 0.00 175.30 172.91 1t96 s ALA 2120N -3.21 2.97 -0.09 2.13 0.00 -0.99 -4.76 121.76 117.82 1t96 s ALA 2120Ca 0.67 0.42 0.02 0.00 0.00 0.00 0.00 51.96 53.07 1t96 s ALA 2120Cb -0.13 -3.18 0.01 0.00 0.00 0.00 0.00 23.12 19.82 1t96 s ALA 2120CO 0.55 -0.14 -0.15 0.08 0.00 0.00 0.00 175.76 176.10 1t96 s VAL 2121N -2.23 1.40 -0.24 0.00 1.01 -0.53 0.03 120.40 119.84 1t96 s VAL 2121Ca 0.63 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 1t96 s VAL 2121Cb -0.12 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 35.01 1t96 s VAL 2121CO 0.20 0.42 -0.06 0.21 0.00 0.00 0.00 175.10 175.87 1t96 s ASN 2122N 0.76 4.29 -0.21 3.32 3.04 0.33 -0.63 114.94 125.84 1t96 s ASN 2122Ca -0.12 -0.79 -0.10 0.00 0.04 0.00 0.00 52.86 51.90 1t96 s ASN 2122Cb -0.16 -1.68 -0.05 0.00 -1.54 0.00 0.00 41.25 37.83 1t96 s ASN 2122CO 0.02 -0.11 0.13 -0.69 -3.04 0.00 0.00 177.10 173.42 1t96 s VAL 2123N 1.35 5.31 -0.12 -5.21 1.01 0.15 -0.69 120.40 122.20 1t96 s VAL 2123Ca 0.01 0.16 -0.29 0.00 0.00 0.00 0.00 61.98 61.86 1t96 s VAL 2123Cb -0.16 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 1t96 s VAL 2123CO -0.04 0.40 1.00 -0.54 0.00 0.00 0.00 175.10 175.92 1t96 s LYS 2124N 0.64 4.40 0.02 2.72 -0.14 -0.29 -0.40 119.74 126.69 1t96 s LYS 2124Ca 0.07 1.37 -0.30 0.00 -1.36 0.00 0.00 55.97 55.75 1t96 s LYS 2124Cb -0.12 -3.55 -0.07 0.00 -1.68 0.00 0.00 37.83 32.41 1t96 s LYS 2124CO 0.01 -0.35 1.58 0.21 -0.76 0.00 0.00 175.35 176.04 1t96 s LYS 2125N 2.15 4.22 0.49 1.68 2.20 -0.44 -4.04 119.74 125.99 1t96 s LYS 2125Ca 0.47 2.19 -0.23 0.00 -0.36 0.00 0.00 55.97 58.04 1t96 s LYS 2125Cb -0.18 -3.69 -0.07 0.00 -1.51 0.00 0.00 37.83 32.38 1t96 s LYS 2125CO 0.16 -0.72 1.24 0.41 -0.36 0.00 0.00 175.35 176.08 1t96 n GLY 2126N 3.93 0.44 0.14 5.54 0.00 -1.25 -4.62 105.19 109.37 1t96 n GLY 2126Ca 0.15 0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.35 1t96 n GLY 2126CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1t96 n GLN 2127N -0.49 0.14 0.00 1.61 3.00 -1.26 -1.43 117.38 118.94 1t96 n GLN 2127Ca 0.09 0.56 0.10 0.00 -0.01 0.00 0.00 57.00 57.74 1t96 n GLN 2127Cb 0.43 -1.88 -0.04 0.00 0.00 0.00 0.00 30.24 28.74 1t96 n GLN 2127CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 1t96 n PHE 2128N -2.16 0.00 -3.48 1.08 1.16 -1.26 -1.32 117.46 111.47 1t96 n PHE 2128Ca -0.00 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.20 1t96 n PHE 2128Cb 0.08 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 37.89 1t96 n PHE 2128CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 1t96 s LEU 2129N -2.57 4.40 0.41 5.98 2.96 -0.52 -5.06 118.68 124.28 1t96 s LEU 2129Ca 0.14 0.85 -0.22 0.00 -0.22 0.00 0.00 54.13 54.68 1t96 s LEU 2129Cb 0.16 -2.56 -0.11 0.00 0.50 0.00 0.00 46.19 44.18 1t96 s LEU 2129CO 0.63 0.23 0.94 0.00 -1.32 0.00 0.00 176.35 176.83 1t96 s ALA 2130N -0.49 3.08 0.20 5.97 0.00 -1.26 -4.86 121.76 124.40 1t96 s ALA 2130Ca 0.23 0.41 -0.10 0.00 0.00 0.00 0.00 51.96 52.50 1t96 s ALA 2130Cb -0.16 -3.14 0.25 0.00 0.00 0.00 0.00 23.12 20.07 1t96 s ALA 2130CO 0.11 0.14 1.75 -1.35 0.00 0.00 0.00 175.76 176.41 1t96 h PRO 2131N 2.13 0.41 0.00 0.00 0.11 -1.98 -1.18 132.00 131.49 1t96 h PRO 2131Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1t96 h PRO 2131Cb 1.18 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1t96 h PRO 2131CO 0.62 0.27 0.00 0.11 -0.21 0.00 0.00 178.00 178.79 1t96 h TRP 2132N 0.42 0.00 -0.02 0.65 0.09 -1.93 -2.28 115.95 112.88 1t96 h TRP 2132Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.27 1t96 h TRP 2132Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.58 1t96 h TRP 2132CO -0.16 0.00 0.00 -0.25 0.09 0.00 0.00 178.44 178.12 1t96 n ASP 2133N -2.87 0.56 0.03 0.11 8.00 -0.45 -3.02 116.55 118.91 1t96 n ASP 2133Ca -0.01 -1.27 0.13 0.00 0.71 0.00 0.00 54.79 54.35 1t96 n ASP 2133Cb 0.16 -0.01 0.44 0.00 -0.02 0.00 0.00 41.12 41.68 1t96 n ASP 2133CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1t96 n THR 2134N -0.53 0.17 -0.20 -3.53 -2.24 -0.86 -3.65 114.28 103.45 1t96 n THR 2134Ca 0.20 -0.09 -0.03 0.00 -2.27 0.00 0.00 64.05 61.86 1t96 n THR 2134Cb 0.19 -0.30 0.08 0.00 -2.10 0.00 0.00 70.33 68.19 1t96 n THR 2134CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1t96 h LYS 2135N 0.00 0.55 -0.09 -0.78 3.64 -1.75 -1.53 116.57 116.62 1t96 h LYS 2135Ca 0.00 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.27 1t96 h LYS 2135Cb 0.58 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1t96 h LYS 2135CO 0.00 0.36 -0.29 -0.91 -2.27 0.00 0.00 179.45 176.35 1t96 h ASN 2136N 0.57 0.16 0.11 4.20 -0.26 -1.83 -1.91 115.58 116.62 1t96 h ASN 2136Ca 0.27 -0.05 -0.01 0.00 -0.56 0.00 0.00 56.30 55.95 1t96 h ASN 2136Cb 0.19 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 37.41 1t96 h ASN 2136CO -0.19 0.44 -0.05 0.58 -1.06 0.00 0.00 177.43 177.15 1t96 h VAL 2137N 0.14 1.01 -0.81 2.81 2.07 -1.46 -1.89 116.25 118.12 1t96 h VAL 2137Ca 0.02 -0.48 0.06 0.00 0.82 0.00 0.00 66.70 67.12 1t96 h VAL 2137Cb 0.58 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 1t96 h VAL 2137CO 0.04 0.12 0.53 0.58 0.02 0.00 0.00 177.57 178.86 1t96 h VAL 2138N -0.37 1.06 -0.49 2.57 2.07 -1.14 -1.95 116.25 117.99 1t96 h VAL 2138Ca -0.02 -0.31 -0.10 0.00 0.82 0.00 0.00 66.70 67.09 1t96 h VAL 2138Cb 0.30 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 1t96 h VAL 2138CO 0.02 0.16 -0.10 -0.08 0.02 0.00 0.00 177.57 177.60 1t96 h GLU 2139N 0.90 0.91 -0.65 1.57 4.81 -1.10 -1.01 114.58 120.01 1t96 h GLU 2139Ca 0.34 -0.32 0.03 0.00 -0.13 0.00 0.00 59.36 59.29 1t96 h GLU 2139Cb 0.20 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 1t96 h GLU 2139CO -0.12 0.96 0.40 0.87 -0.73 0.00 0.00 179.01 180.39 1t96 h LYS 2140N 0.82 0.75 -0.48 1.92 1.57 -0.58 0.61 116.57 121.17 1t96 h LYS 2140Ca 0.13 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 1t96 h LYS 2140Cb 0.63 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 1t96 h LYS 2140CO 0.04 0.49 0.11 -0.07 -0.57 0.00 0.00 179.45 179.46 1t96 h LEU 2141N 0.77 0.74 -0.24 2.94 3.38 -1.14 -0.75 115.31 121.00 1t96 h LEU 2141Ca 0.27 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1t96 h LEU 2141Cb 0.05 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1t96 h LEU 2141CO -0.12 0.78 0.16 0.11 0.09 0.00 0.00 178.44 179.46 1t96 h LYS 2142N 0.66 0.32 -0.84 1.13 1.57 -0.59 -0.72 116.57 118.11 1t96 h LYS 2142Ca 0.15 -0.02 0.13 0.00 -1.87 0.00 0.00 60.65 59.04 1t96 h LYS 2142Cb 0.34 -0.07 -0.09 0.00 0.08 0.00 0.00 32.23 32.49 1t96 h LYS 2142CO 0.00 0.22 0.45 0.35 -0.57 0.00 0.00 179.45 179.90 1t96 h PHE 2143N 0.33 0.80 0.00 -1.35 3.57 -0.69 0.27 116.94 119.87 1t96 h PHE 2143Ca 0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1t96 h PHE 2143Cb -0.03 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.48 1t96 h PHE 2143CO -0.06 0.24 0.00 0.41 -2.23 0.00 0.00 178.31 176.67 1t96 n GLY 2144N -1.32 -0.80 0.66 2.40 0.00 -0.31 -4.89 105.19 100.93 1t96 n GLY 2144Ca 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1t96 n GLY 2144CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t96 n GLY 2145N 0.50 0.83 3.79 -0.02 0.00 0.95 -3.82 105.19 107.42 1t96 n GLY 2145Ca 0.16 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 1t96 n GLY 2145CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t96 s ALA 2146N -2.00 3.15 -0.05 4.61 0.00 -0.37 -4.92 121.76 122.18 1t96 s ALA 2146Ca 0.00 0.54 0.01 0.00 0.00 0.00 0.00 51.96 52.51 1t96 s ALA 2146Cb 0.00 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 1t96 s ALA 2146CO 0.00 0.08 -0.04 1.63 0.00 0.00 0.00 175.76 177.43 1t96 n LYS 2147N 0.18 0.41 -3.45 0.00 4.76 -1.26 -4.44 118.16 114.36 1t96 n LYS 2147Ca 0.04 0.03 -0.43 0.00 -2.87 0.00 0.00 58.31 55.07 1t96 n LYS 2147Cb 0.51 -1.11 -0.08 0.00 -1.84 0.00 0.00 35.03 32.51 1t96 n LYS 2147CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1t96 s GLU 2148N -2.10 2.82 -0.08 1.97 2.12 -1.26 -5.06 118.70 117.11 1t96 s GLU 2148Ca -0.07 -1.50 0.04 0.00 0.36 0.00 0.00 54.97 53.81 1t96 s GLU 2148Cb 0.02 -4.05 -0.01 0.00 0.26 0.00 0.00 34.13 30.35 1t96 s GLU 2148CO 0.13 -1.08 -0.20 0.42 -0.54 0.00 0.00 175.26 173.98 1t96 s ILE 2149N 1.54 2.48 0.08 -3.70 1.01 -1.26 -1.45 121.20 119.91 1t96 s ILE 2149Ca 0.04 -0.90 0.08 0.00 0.00 0.00 0.00 60.65 59.87 1t96 s ILE 2149Cb -0.25 -1.96 -0.03 0.00 0.01 0.00 0.00 42.46 40.23 1t96 s ILE 2149CO 0.04 0.56 -0.22 -0.31 0.00 0.00 0.00 174.94 175.01 1t96 s TYR 2150N -0.04 1.93 -0.12 3.97 1.51 0.20 -2.82 117.35 121.98 1t96 s TYR 2150Ca -0.06 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.63 1t96 s TYR 2150Cb -0.15 -1.09 0.01 0.00 -0.11 0.00 0.00 41.96 40.62 1t96 s TYR 2150CO 0.05 0.19 -0.19 -0.51 -1.11 0.00 0.00 175.55 173.97 1t96 s LEU 2151N -1.64 1.94 -0.22 -1.29 1.43 -0.41 -0.68 118.68 117.82 1t96 s LEU 2151Ca 0.08 -0.52 -0.06 0.00 -1.03 0.00 0.00 54.13 52.61 1t96 s LEU 2151Cb -0.10 -1.28 -0.03 0.00 0.03 0.00 0.00 46.19 44.82 1t96 s LEU 2151CO 0.04 0.06 0.02 -0.89 0.23 0.00 0.00 176.35 175.81 1t96 s THR 2152N 0.82 4.07 -0.04 5.49 2.01 0.46 -0.97 115.64 127.47 1t96 s THR 2152Ca -0.09 -0.27 -0.30 0.00 0.31 0.00 0.00 61.69 61.35 1t96 s THR 2152Cb -0.16 -2.86 -0.03 0.00 0.01 0.00 0.00 72.50 69.47 1t96 s THR 2152CO -0.00 0.40 1.08 -0.70 -0.69 0.00 0.00 174.62 174.71 1t96 s GLU 2153N 1.19 4.44 0.00 4.92 2.56 0.62 -1.33 118.70 131.09 1t96 s GLU 2153Ca 0.03 1.53 0.22 0.00 0.00 0.00 0.00 54.97 56.76 1t96 s GLU 2153Cb -0.14 -3.50 0.37 0.00 2.00 0.00 0.00 34.13 32.85 1t96 s GLU 2153CO 0.02 -0.28 1.14 2.89 -0.56 0.00 0.00 175.26 178.47 1t96 n ARG 2154N 4.65 0.00 0.00 4.30 -4.01 -1.26 -1.19 116.66 119.15 1t96 n ARG 2154Ca 0.09 -1.84 0.00 0.00 -1.04 0.00 0.00 57.85 55.05 1t96 n ARG 2154Cb 0.48 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.91 1t96 n ARG 2154CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1t96 n GLY 2155N 0.42 0.80 3.07 2.89 0.00 -1.26 -3.88 105.19 107.23 1t96 n GLY 2155Ca 0.03 -1.75 -0.20 0.00 0.00 0.00 0.00 46.02 44.10 1t96 n GLY 2155CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t96 s THR 2156N -2.96 0.90 -0.12 2.61 2.01 0.87 -4.34 115.64 114.61 1t96 s THR 2156Ca 0.00 -0.51 -0.38 0.00 0.31 0.00 0.00 61.69 61.11 1t96 s THR 2156Cb 0.00 -0.76 -0.15 0.00 0.01 0.00 0.00 72.50 71.60 1t96 s THR 2156CO 0.00 0.24 1.64 0.41 -0.69 0.00 0.00 174.62 176.23 1t96 n THR 2157N 2.76 0.24 -3.68 -0.82 -1.04 -0.44 -1.32 114.28 109.99 1t96 n THR 2157Ca -0.14 -0.04 -0.29 0.00 -2.04 0.00 0.00 64.05 61.53 1t96 n THR 2157Cb 0.56 -1.23 -0.13 0.00 -1.82 0.00 0.00 70.33 67.71 1t96 n THR 2157CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1t96 s PHE 2158N 2.61 1.76 0.00 -1.42 5.36 -0.49 -4.84 117.98 120.96 1t96 s PHE 2158Ca 0.93 -2.24 0.00 0.00 -0.96 0.00 0.00 56.93 54.66 1t96 s PHE 2158Cb -0.96 -1.73 0.00 0.00 -0.34 0.00 0.00 43.02 39.99 1t96 s PHE 2158CO 0.57 -0.80 0.00 0.41 -1.46 0.00 0.00 175.22 173.94 1t96 n GLY 2159N 3.75 -0.12 3.83 13.12 0.00 -1.26 -4.24 105.19 120.26 1t96 n GLY 2159Ca 0.08 -1.01 -0.38 0.00 0.00 0.00 0.00 46.02 44.71 1t96 n GLY 2159CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t96 s TYR 2160N 0.00 3.70 -1.44 1.61 2.02 -1.26 -4.42 117.35 117.56 1t96 s TYR 2160Ca 0.00 0.95 -0.06 0.00 -0.37 0.00 0.00 57.07 57.59 1t96 s TYR 2160Cb 0.00 -2.29 0.03 0.00 -0.40 0.00 0.00 41.96 39.30 1t96 s TYR 2160CO 0.00 0.61 0.48 0.09 -1.57 0.00 0.00 175.55 175.16 1t96 n ASN 2161N 2.00 -5.12 -3.71 2.29 3.02 -1.26 -4.97 115.26 107.51 1t96 n ASN 2161Ca -0.14 -0.26 -0.14 0.00 -0.03 0.00 0.00 54.58 54.01 1t96 n ASN 2161Cb 0.52 -4.19 -0.09 0.00 -0.61 0.00 0.00 39.78 35.42 1t96 n ASN 2161CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1t96 s ASN 2162N -2.61 -0.36 0.03 6.41 3.04 -1.26 -4.00 114.94 116.20 1t96 s ASN 2162Ca 0.29 0.46 0.07 0.00 0.04 0.00 0.00 52.86 53.72 1t96 s ASN 2162Cb -0.14 0.55 -0.02 0.00 -1.54 0.00 0.00 41.25 40.10 1t96 s ASN 2162CO 0.36 -0.37 -0.19 -0.76 -3.04 0.00 0.00 177.10 173.10 1t96 s LEU 2163N -0.75 2.14 0.09 3.21 1.43 -1.26 -1.40 118.68 122.14 1t96 s LEU 2163Ca -0.08 -0.48 0.08 0.00 -1.03 0.00 0.00 54.13 52.62 1t96 s LEU 2163Cb -0.04 -0.92 -0.03 0.00 0.03 0.00 0.00 46.19 45.23 1t96 s LEU 2163CO 0.04 0.16 -0.20 0.54 0.23 0.00 0.00 176.35 177.11 1t96 s VAL 2164N -0.73 1.67 -0.36 -1.59 0.11 -0.43 -4.84 120.40 114.22 1t96 s VAL 2164Ca 0.07 -1.48 -0.11 0.00 -2.93 0.00 0.00 61.98 57.52 1t96 s VAL 2164Cb -0.08 -1.51 0.02 0.00 -1.53 0.00 0.00 36.38 33.27 1t96 s VAL 2164CO 0.01 -0.04 0.20 -0.69 -3.33 0.00 0.00 175.10 171.26 1t96 s VAL 2165N -1.12 4.67 -0.70 2.04 1.01 -1.26 -0.09 120.40 124.94 1t96 s VAL 2165Ca 0.06 -0.72 -0.20 0.00 0.00 0.00 0.00 61.98 61.11 1t96 s VAL 2165Cb -0.10 -3.55 0.10 0.00 0.00 0.00 0.00 36.38 32.83 1t96 s VAL 2165CO 0.04 -0.17 0.90 -0.62 0.00 0.00 0.00 175.10 175.25 1t96 s ASP 2166N 1.58 6.29 0.00 3.32 -1.08 -1.26 -4.91 116.67 120.62 1t96 s ASP 2166Ca 0.03 -1.43 0.05 0.00 -0.52 0.00 0.00 52.55 50.68 1t96 s ASP 2166Cb -0.19 -2.37 0.25 0.00 -1.46 0.00 0.00 42.92 39.16 1t96 s ASP 2166CO 0.07 -1.22 1.10 0.49 0.52 0.00 0.00 175.17 176.13 1t96 n PHE 2167N 6.85 0.00 0.27 -5.34 3.01 -1.26 -1.43 117.46 119.56 1t96 n PHE 2167Ca 0.01 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.60 1t96 n PHE 2167Cb 0.45 -0.40 0.74 0.00 -0.01 0.00 0.00 39.48 40.27 1t96 n PHE 2167CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1t96 h ARG 2168N 0.00 0.00 -0.29 -1.08 3.08 -2.03 -2.85 114.38 111.20 1t96 h ARG 2168Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1t96 h ARG 2168Cb 0.07 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1t96 h ARG 2168CO 0.00 0.11 0.08 0.66 -1.07 0.00 0.00 179.97 179.74 1t96 h SER 2169N 0.00 0.38 0.50 7.04 4.64 -1.67 -2.95 113.55 121.49 1t96 h SER 2169Ca -0.00 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 1t96 h SER 2169Cb 0.36 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 1t96 h SER 2169CO 0.01 0.38 -0.43 -0.07 -0.87 0.00 0.00 176.83 175.86 1t96 h LEU 2170N 0.42 -1.14 -1.21 5.97 4.07 -1.72 -0.51 115.31 121.18 1t96 h LEU 2170Ca 0.10 0.09 -0.08 0.00 0.08 0.00 0.00 57.88 58.07 1t96 h LEU 2170Cb 0.15 0.37 -0.01 0.00 1.08 0.00 0.00 40.66 42.25 1t96 h LEU 2170CO -0.01 -0.60 -0.32 1.55 -1.08 0.00 0.00 178.44 177.98 1t96 h PRO 2171N -0.92 0.12 0.21 1.13 0.13 -1.73 -2.55 132.00 128.38 1t96 h PRO 2171Ca -0.05 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.02 1t96 h PRO 2171Cb 0.79 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1t96 h PRO 2171CO -0.02 0.44 -0.10 0.82 -0.23 0.00 0.00 178.00 178.90 1t96 h ILE 2172N 0.11 0.84 -0.04 -3.56 2.04 -1.33 -3.15 117.51 112.43 1t96 h ILE 2172Ca 0.01 -0.24 -0.08 0.00 1.00 0.00 0.00 64.86 65.55 1t96 h ILE 2172Cb 0.63 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1t96 h ILE 2172CO 0.05 0.06 -0.36 0.24 0.00 0.00 0.00 178.15 178.13 1t96 h MET 2173N -0.40 0.08 -0.05 2.37 2.86 -1.09 -2.83 114.93 115.87 1t96 h MET 2173Ca -0.03 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1t96 h MET 2173Cb 0.31 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 1t96 h MET 2173CO 0.05 0.43 0.26 -0.22 1.06 0.00 0.00 176.91 178.49 1t96 h LYS 2174N 0.07 0.00 0.00 1.72 1.63 -1.41 -0.50 116.57 118.08 1t96 h LYS 2174Ca 0.01 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.79 1t96 h LYS 2174Cb 0.68 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.30 1t96 h LYS 2174CO 0.05 0.00 -0.09 1.96 -3.45 0.00 0.00 179.45 177.92 1t96 h GLN 2175N 0.00 0.00 0.00 1.90 4.20 -1.58 -3.31 115.11 116.32 1t96 h GLN 2175Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1t96 h GLN 2175Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1t96 h GLN 2175CO -0.00 0.09 0.00 -2.67 -0.67 0.00 0.00 178.83 175.58 1t96 n TRP 2176N -4.34 0.00 -3.85 2.96 2.14 -0.23 -5.10 117.44 109.02 1t96 n TRP 2176Ca -0.03 0.00 -0.07 0.00 2.07 0.00 0.00 57.50 59.47 1t96 n TRP 2176Cb 0.17 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.65 1t96 n TRP 2176CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1t96 s ALA 2177N -0.03 -1.21 0.26 -1.67 0.00 -0.97 -5.02 121.76 113.11 1t96 s ALA 2177Ca 0.00 -0.29 -0.29 0.00 0.00 0.00 0.00 51.96 51.37 1t96 s ALA 2177Cb 0.00 0.86 -0.09 0.00 0.00 0.00 0.00 23.12 23.88 1t96 s ALA 2177CO 0.00 -1.03 0.96 0.15 0.00 0.00 0.00 175.76 175.85 1t96 s LYS 2178N -3.92 4.80 -0.16 0.00 1.02 -1.13 -4.11 119.74 116.24 1t96 s LYS 2178Ca 0.11 1.52 -0.05 0.00 0.02 0.00 0.00 55.97 57.56 1t96 s LYS 2178Cb -0.06 -3.21 -0.03 0.00 -0.52 0.00 0.00 37.83 34.01 1t96 s LYS 2178CO 0.06 0.45 0.01 0.08 -0.92 0.00 0.00 175.35 175.03 1t96 s VAL 2179N -1.23 4.29 -0.05 3.17 1.01 -1.26 -1.28 120.40 125.06 1t96 s VAL 2179Ca 0.43 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.23 1t96 s VAL 2179Cb -0.26 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 1t96 s VAL 2179CO 0.32 0.49 -0.15 -0.63 0.00 0.00 0.00 175.10 175.13 1t96 s ILE 2180N 0.26 2.96 -0.22 2.22 -1.09 -0.14 -0.48 121.20 124.71 1t96 s ILE 2180Ca 0.00 -0.77 -0.06 0.00 -2.23 0.00 0.00 60.65 57.59 1t96 s ILE 2180Cb -0.13 -2.15 -0.03 0.00 -1.58 0.00 0.00 42.46 38.57 1t96 s ILE 2180CO 0.02 0.59 0.04 -0.47 -1.23 0.00 0.00 174.94 173.88 1t96 s TYR 2181N -0.72 3.07 -0.62 3.97 5.04 -0.53 -0.28 117.35 127.29 1t96 s TYR 2181Ca 0.11 -0.41 -0.22 0.00 -2.44 0.00 0.00 57.07 54.12 1t96 s TYR 2181Cb -0.11 -2.15 0.07 0.00 0.35 0.00 0.00 41.96 40.13 1t96 s TYR 2181CO 0.00 -0.27 0.87 0.34 -1.34 0.00 0.00 175.55 175.15 1t96 s ASP 2182N 1.24 6.20 0.48 4.32 -1.08 -0.33 -0.07 116.67 127.43 1t96 s ASP 2182Ca 0.04 -1.02 0.27 0.00 -0.52 0.00 0.00 52.55 51.32 1t96 s ASP 2182Cb -0.15 -2.38 0.74 0.00 -1.46 0.00 0.00 42.92 39.68 1t96 s ASP 2182CO 0.02 -1.29 1.76 0.00 0.52 0.00 0.00 175.17 176.18 1t96 h ALA 2183N 9.40 1.00 0.00 3.66 0.00 -1.49 -3.22 119.26 128.60 1t96 h ALA 2183Ca -0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1t96 h ALA 2183Cb 1.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1t96 h ALA 2183CO 1.13 0.01 -0.10 1.15 0.00 0.00 0.00 179.25 181.44 1t96 h THR 2184N 0.00 0.00 0.00 0.00 2.02 -1.90 -3.40 112.91 109.63 1t96 h THR 2184Ca -0.00 -0.98 -0.03 0.00 0.77 0.00 0.00 66.41 66.17 1t96 h THR 2184Cb 0.81 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1t96 h THR 2184CO 0.00 0.00 -0.15 0.45 0.37 0.00 0.00 175.52 176.19 1t96 h HIS 2185N -0.98 0.00 0.00 3.16 3.86 -1.91 -3.26 115.15 116.03 1t96 h HIS 2185Ca 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1t96 h HIS 2185Cb 0.10 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.57 1t96 h HIS 2185CO -0.04 0.15 -0.01 0.77 0.86 0.00 0.00 177.93 179.67 1t96 h SER 2186N 0.00 0.00 -0.01 2.45 0.02 -1.66 -2.76 113.55 111.59 1t96 h SER 2186Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1t96 h SER 2186Cb 0.77 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.31 1t96 h SER 2186CO 0.02 0.01 -0.30 1.33 -1.14 0.00 0.00 176.83 176.75 1t96 n VAL 2187N -3.11 0.00 -2.83 2.27 0.24 -1.23 -4.67 118.33 109.01 1t96 n VAL 2187Ca -0.01 -0.35 -0.38 0.00 -2.04 0.00 0.00 64.34 61.57 1t96 n VAL 2187Cb 0.22 1.20 -0.06 0.00 -1.47 0.00 0.00 33.84 33.74 1t96 n VAL 2187CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1t96 s GLN 2188N -1.83 4.60 -0.49 7.34 -2.07 -1.04 -3.19 119.66 122.98 1t96 s GLN 2188Ca 0.14 1.29 -0.21 0.00 -1.82 0.00 0.00 55.36 54.76 1t96 s GLN 2188Cb 0.13 -2.93 0.04 0.00 -1.09 0.00 0.00 33.01 29.15 1t96 s GLN 2188CO 0.38 0.36 0.73 -0.51 -1.32 0.00 0.00 175.29 174.93 1t96 s LEU 2189N -1.81 4.50 0.56 2.60 1.43 -1.26 -4.44 118.68 120.26 1t96 s LEU 2189Ca 0.47 -0.47 -0.19 0.00 -1.03 0.00 0.00 54.13 52.91 1t96 s LEU 2189Cb -0.20 -2.71 -0.07 0.00 0.03 0.00 0.00 46.19 43.24 1t96 s LEU 2189CO 0.25 -0.94 0.80 -2.65 0.23 0.00 0.00 176.35 174.05 1t96 n PRO 2190N 6.59 0.81 -0.28 1.29 -0.02 -1.26 -4.64 135.00 137.49 1t96 n PRO 2190Ca -0.02 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1t96 n PRO 2190Cb 0.47 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 1t96 n PRO 2190CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1t96 n GLY 2191N 1.46 1.79 3.57 -1.23 0.00 -1.26 -4.38 105.19 105.14 1t96 n GLY 2191Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 1t96 n GLY 2191CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1t96 s GLY 2199N -2.00 0.15 -0.34 -0.02 0.00 -1.26 -5.03 107.32 98.82 1t96 s GLY 2199Ca 0.00 -0.49 -0.16 0.00 0.00 0.00 0.00 44.72 44.06 1t96 s GLY 2199CO 0.00 -0.41 0.41 1.06 0.00 0.00 0.00 173.10 174.17 1t96 s MET 2200N -3.93 3.60 0.52 2.90 -1.94 -1.19 -4.70 119.30 114.56 1t96 s MET 2200Ca 0.14 -0.31 0.18 0.00 -1.71 0.00 0.00 55.69 53.99 1t96 s MET 2200Cb -0.01 -3.80 1.32 0.00 2.01 0.00 0.00 34.83 34.35 1t96 s MET 2200CO 0.02 -0.55 2.14 -0.09 -0.01 0.00 0.00 175.02 176.53 1t96 h ARG 2201N 8.45 0.00 -0.03 2.03 2.43 -1.92 -2.38 114.38 122.96 1t96 h ARG 2201Ca -0.29 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 58.89 1t96 h ARG 2201Cb 1.14 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1t96 h ARG 2201CO 0.72 0.04 0.16 1.05 -1.51 0.00 0.00 179.97 180.43 1t96 h GLU 2202N 0.00 0.00 0.00 0.20 4.11 -1.94 -1.85 114.58 115.10 1t96 h GLU 2202Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1t96 h GLU 2202Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1t96 h GLU 2202CO 0.00 0.00 -0.95 1.19 0.07 0.00 0.00 179.01 179.33 1t96 n PHE 2203N -3.11 0.01 0.08 2.06 3.72 -0.90 -4.56 117.46 114.77 1t96 n PHE 2203Ca -0.02 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.26 1t96 n PHE 2203Cb 0.23 -0.07 -0.05 0.00 -0.94 0.00 0.00 39.48 38.65 1t96 n PHE 2203CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1t96 h ILE 2204N 0.00 0.37 -0.14 4.37 2.04 -1.46 -2.35 117.51 120.33 1t96 h ILE 2204Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1t96 h ILE 2204Cb 0.52 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1t96 h ILE 2204CO 0.00 0.00 0.03 0.15 0.00 0.00 0.00 178.15 178.33 1t96 h PHE 2205N -0.45 0.24 -0.64 1.37 -0.00 -1.80 -1.87 116.94 113.79 1t96 h PHE 2205Ca 0.05 -0.03 0.06 0.00 -0.00 0.00 0.00 57.97 58.05 1t96 h PHE 2205Cb 0.52 -0.07 -0.06 0.00 -0.00 0.00 0.00 35.95 36.35 1t96 h PHE 2205CO -0.29 0.38 0.34 -1.35 -0.00 0.00 0.00 178.31 177.39 1t96 h PRO 2206N 0.03 0.60 0.00 6.41 0.11 -1.79 -1.34 132.00 136.02 1t96 h PRO 2206Ca 0.04 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.03 1t96 h PRO 2206Cb 0.27 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 1t96 h PRO 2206CO 0.00 0.40 -0.43 -0.07 -0.21 0.00 0.00 178.00 177.69 1t96 h LEU 2207N 0.62 0.00 -0.74 2.35 3.38 -1.36 -2.35 115.31 117.21 1t96 h LEU 2207Ca 0.29 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.18 1t96 h LEU 2207Cb 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1t96 h LEU 2207CO -0.19 0.43 0.07 0.40 0.09 0.00 0.00 178.44 179.24 1t96 h ILE 2208N 0.00 1.26 -0.68 1.22 2.04 -0.54 -1.40 117.51 119.40 1t96 h ILE 2208Ca -0.00 -1.04 -0.05 0.00 1.00 0.00 0.00 64.86 64.76 1t96 h ILE 2208Cb 0.80 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 1t96 h ILE 2208CO 0.06 0.38 0.22 0.03 0.00 0.00 0.00 178.15 178.84 1t96 h ARG 2209N 0.96 1.06 -0.79 2.37 3.08 -0.80 -2.34 114.38 117.94 1t96 h ARG 2209Ca 0.19 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 1t96 h ARG 2209Cb 0.45 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 1t96 h ARG 2209CO 0.02 0.92 0.33 0.00 -1.07 0.00 0.00 179.97 180.17 1t96 h ALA 2210N 1.10 1.10 -0.60 0.04 0.00 -1.14 -1.21 119.26 118.55 1t96 h ALA 2210Ca 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1t96 h ALA 2210Cb 0.30 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1t96 h ALA 2210CO -0.01 0.65 0.35 0.00 0.00 0.00 0.00 179.25 180.24 1t96 h ALA 2211N 1.22 0.77 0.00 0.00 0.00 -0.74 -0.33 119.26 120.18 1t96 h ALA 2211Ca 0.27 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 1t96 h ALA 2211Cb 0.18 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1t96 h ALA 2211CO -0.03 0.27 -0.61 -0.39 0.00 0.00 0.00 179.25 178.49 1t96 h VAL 2212N 0.81 1.15 -0.13 0.00 -1.51 -1.26 -1.39 116.25 113.93 1t96 h VAL 2212Ca 0.21 -2.34 -0.14 0.00 -1.23 0.00 0.00 66.70 63.21 1t96 h VAL 2212Cb 0.01 2.37 -0.01 0.00 -2.13 0.00 0.00 31.29 31.53 1t96 h VAL 2212CO -0.04 0.60 -0.53 0.00 -1.23 0.00 0.00 177.57 176.37 1t96 h ALA 2213N 1.39 0.87 -0.04 5.19 0.00 -0.73 -3.11 119.26 122.83 1t96 h ALA 2213Ca -0.01 -0.50 -0.10 0.00 0.00 0.00 0.00 54.91 54.30 1t96 h ALA 2213Cb 1.33 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.03 1t96 h ALA 2213CO 0.08 0.68 -0.38 0.28 0.00 0.00 0.00 179.25 179.91 1t96 h VAL 2214N 0.28 1.45 0.00 0.00 2.07 -1.01 -3.47 116.25 115.57 1t96 h VAL 2214Ca 0.01 -1.87 0.00 0.00 0.82 0.00 0.00 66.70 65.66 1t96 h VAL 2214Cb 1.02 2.49 0.00 0.00 -1.52 0.00 0.00 31.29 33.28 1t96 h VAL 2214CO 0.09 0.53 0.00 0.61 0.02 0.00 0.00 177.57 178.82 1t96 n GLY 2215N 0.87 2.78 3.31 2.17 0.00 -0.53 -4.82 105.19 108.97 1t96 n GLY 2215Ca -0.09 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 1t96 n GLY 2215CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t96 n ASP 2217N -0.18 1.04 0.00 0.00 8.00 0.37 -4.98 116.55 120.80 1t96 n ASP 2217Ca -0.12 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.37 1t96 n ASP 2217Cb 0.63 0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.79 1t96 n ASP 2217CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1t96 n GLY 2218N 1.27 0.60 3.09 0.44 0.00 -1.07 -1.68 105.19 107.84 1t96 n GLY 2218Ca 0.15 -0.85 -0.21 0.00 0.00 0.00 0.00 46.02 45.10 1t96 n GLY 2218CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1t96 s VAL 2219N -2.00 1.01 -0.15 1.61 1.01 0.21 -1.45 120.40 120.63 1t96 s VAL 2219Ca 0.00 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 1t96 s VAL 2219Cb 0.00 -0.84 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 1t96 s VAL 2219CO 0.00 0.27 -0.11 0.12 0.00 0.00 0.00 175.10 175.38 1t96 s PHE 2220N -0.33 2.85 -0.08 5.22 2.19 0.90 -0.71 117.98 128.02 1t96 s PHE 2220Ca 0.05 -0.72 -0.03 0.00 0.33 0.00 0.00 56.93 56.55 1t96 s PHE 2220Cb -0.05 -1.90 0.05 0.00 -1.31 0.00 0.00 43.02 39.80 1t96 s PHE 2220CO -0.00 -0.29 0.17 -1.64 1.83 0.00 0.00 175.22 175.29 1t96 s MET 2221N 0.60 0.07 0.05 10.12 -1.94 0.32 -1.28 119.30 127.25 1t96 s MET 2221Ca -0.07 0.52 -0.24 0.00 -1.71 0.00 0.00 55.69 54.19 1t96 s MET 2221Cb -0.15 -0.21 -0.06 0.00 2.01 0.00 0.00 34.83 36.42 1t96 s MET 2221CO 0.03 -0.25 0.73 -1.21 -0.01 0.00 0.00 175.02 174.30 1t96 s GLU 2222N 1.88 4.46 0.04 2.03 2.02 -1.26 -3.10 118.70 124.76 1t96 s GLU 2222Ca -0.02 1.00 0.02 0.00 0.02 0.00 0.00 54.97 55.99 1t96 s GLU 2222Cb -0.12 -3.35 -0.02 0.00 0.10 0.00 0.00 34.13 30.74 1t96 s GLU 2222CO -0.06 0.34 -0.07 -0.08 0.02 0.00 0.00 175.26 175.41 1t96 s THR 2223N -0.22 0.46 -0.04 3.63 -1.32 0.56 -1.27 115.64 117.44 1t96 s THR 2223Ca 0.36 -1.08 -0.07 0.00 -1.21 0.00 0.00 61.69 59.70 1t96 s THR 2223Cb -0.20 -0.58 0.01 0.00 -1.51 0.00 0.00 72.50 70.22 1t96 s THR 2223CO 0.22 -0.42 0.16 -2.28 -2.21 0.00 0.00 174.62 170.09 1t96 s HIS 2224N -1.47 -0.11 0.31 9.09 5.04 0.36 -2.80 115.29 125.71 1t96 s HIS 2224Ca -0.10 0.25 0.03 0.00 -1.54 0.00 0.00 55.06 53.70 1t96 s HIS 2224Cb -0.10 0.03 0.63 0.00 0.04 0.00 0.00 32.58 33.18 1t96 s HIS 2224CO -0.00 -0.17 1.86 -1.35 -2.34 0.00 0.00 174.74 172.74 1t96 h PRO 2225N 5.27 0.89 -1.97 2.88 0.11 -1.94 -1.03 132.00 136.21 1t96 h PRO 2225Ca -0.27 -0.05 -0.50 0.00 0.11 0.00 0.00 66.00 65.29 1t96 h PRO 2225Cb 1.20 -0.20 -0.34 0.00 0.11 0.00 0.00 31.00 31.77 1t96 h PRO 2225CO 0.40 0.59 -0.91 0.39 -0.21 0.00 0.00 178.00 178.26 1t96 n GLU 2226N -4.58 0.36 -0.30 1.05 1.02 -1.26 -4.46 120.64 112.47 1t96 n GLU 2226Ca 0.18 -2.94 0.25 0.00 -0.02 0.00 0.00 57.16 54.63 1t96 n GLU 2226Cb 0.36 -1.54 0.47 0.00 -0.02 0.00 0.00 31.44 30.71 1t96 n GLU 2226CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1t96 n PRO 2227N 2.53 -0.06 -0.26 3.49 -0.02 -1.25 -0.10 135.00 139.33 1t96 n PRO 2227Ca 0.25 1.31 0.16 0.00 -2.02 0.00 0.00 63.50 63.21 1t96 n PRO 2227Cb 0.51 -2.28 0.44 0.00 -0.02 0.00 0.00 33.50 32.15 1t96 n PRO 2227CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1t96 h GLU 2228N 0.00 0.53 -0.24 -0.52 4.11 -1.93 -1.24 114.58 115.29 1t96 h GLU 2228Ca 0.73 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 60.13 1t96 h GLU 2228Cb 1.84 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.97 1t96 h GLU 2228CO -0.76 0.35 0.00 1.63 0.07 0.00 0.00 179.01 180.30 1t96 n LYS 2229N -4.56 2.09 -1.99 1.06 5.02 0.86 -4.98 118.16 115.65 1t96 n LYS 2229Ca 0.19 -1.64 -0.39 0.00 -2.02 0.00 0.00 58.31 54.45 1t96 n LYS 2229Cb 0.61 -1.45 0.01 0.00 -0.02 0.00 0.00 35.03 34.17 1t96 n LYS 2229CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1t96 s ALA 2230N -1.70 3.12 -1.97 7.82 0.00 -0.47 -4.92 121.76 123.64 1t96 s ALA 2230Ca 0.35 1.24 0.30 0.00 0.00 0.00 0.00 51.96 53.84 1t96 s ALA 2230Cb 0.20 -3.50 1.42 0.00 0.00 0.00 0.00 23.12 21.23 1t96 s ALA 2230CO 0.29 -0.97 1.96 1.28 0.00 0.00 0.00 175.76 178.32 1t96 n LEU 2231N -0.26 0.56 -3.64 0.00 4.77 -1.26 -4.55 117.00 112.61 1t96 n LEU 2231Ca 0.06 -0.11 -0.15 0.00 -0.03 0.00 0.00 56.01 55.77 1t96 n LEU 2231Cb 0.44 -0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 41.38 1t96 n LEU 2231CO 0.54 0.10 0.25 -0.55 -1.33 0.00 0.00 177.39 176.40 1t96 s SER 2232N -2.20 -0.50 -1.63 -1.43 0.15 -1.26 -4.54 113.70 102.29 1t96 s SER 2232Ca 0.38 0.68 -0.08 0.00 0.70 0.00 0.00 55.95 57.62 1t96 s SER 2232Cb 0.21 0.68 0.08 0.00 -1.71 0.00 0.00 66.02 65.28 1t96 s SER 2232CO 0.40 -0.42 0.31 0.47 1.20 0.00 0.00 173.24 175.20 1t96 n ASP 2233N 1.65 -0.43 -0.15 5.45 8.00 -1.26 -4.83 116.55 124.98 1t96 n ASP 2233Ca -0.18 -1.20 -0.01 0.00 0.71 0.00 0.00 54.79 54.11 1t96 n ASP 2233Cb 0.56 -1.95 0.23 0.00 -0.02 0.00 0.00 41.12 39.94 1t96 n ASP 2233CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1t96 h ALA 2234N 0.83 1.33 0.00 2.24 0.00 -1.80 -1.97 119.26 119.89 1t96 h ALA 2234Ca -0.63 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.08 1t96 h ALA 2234Cb 1.39 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1t96 h ALA 2234CO 0.75 0.51 -0.26 0.77 0.00 0.00 0.00 179.25 181.02 1t96 h SER 2235N 0.85 0.00 -0.00 0.00 0.02 -1.88 -3.34 113.55 109.20 1t96 h SER 2235Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1t96 h SER 2235Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1t96 h SER 2235CO -0.02 0.26 -0.26 0.35 -1.14 0.00 0.00 176.83 176.02 1t96 n THR 2236N -3.92 0.00 -2.28 -2.27 -2.24 -1.05 -4.29 114.28 98.23 1t96 n THR 2236Ca -0.02 -0.37 -0.41 0.00 -2.27 0.00 0.00 64.05 60.98 1t96 n THR 2236Cb 0.34 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.55 1t96 n THR 2236CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1t96 s GLN 2237N -1.48 4.46 0.06 -0.78 -0.21 -0.77 -4.88 119.66 116.07 1t96 s GLN 2237Ca 0.03 2.00 -0.27 0.00 0.02 0.00 0.00 55.36 57.14 1t96 s GLN 2237Cb 0.05 -3.18 -0.05 0.00 1.00 0.00 0.00 33.01 30.83 1t96 s GLN 2237CO 0.23 -0.10 0.83 -1.17 -2.12 0.00 0.00 175.29 172.96 1t96 s LEU 2238N -0.80 4.46 0.20 2.90 2.96 -0.40 -4.72 118.68 123.27 1t96 s LEU 2238Ca 0.51 1.56 -0.33 0.00 -0.22 0.00 0.00 54.13 55.66 1t96 s LEU 2238Cb -0.35 -3.35 -0.13 0.00 0.50 0.00 0.00 46.19 42.86 1t96 s LEU 2238CO 0.42 -0.02 1.63 -2.65 -1.32 0.00 0.00 176.35 174.41 1t96 n PRO 2239N 2.85 2.46 -0.31 0.98 -0.02 -1.26 -0.49 135.00 139.21 1t96 n PRO 2239Ca -0.01 0.88 0.15 0.00 -2.02 0.00 0.00 63.50 62.51 1t96 n PRO 2239Cb 0.50 -2.68 0.32 0.00 -0.02 0.00 0.00 33.50 31.62 1t96 n PRO 2239CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1t96 h LEU 2240N 6.11 0.16 -2.79 2.45 6.46 -1.40 -0.30 115.31 126.00 1t96 h LEU 2240Ca -0.44 0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.51 1t96 h LEU 2240Cb 1.23 0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 41.37 1t96 h LEU 2240CO 0.90 -0.12 0.01 0.77 -0.62 0.00 0.00 178.44 179.39 1t96 h SER 2241N 0.27 0.00 0.49 1.25 4.64 -1.89 -1.94 113.55 116.37 1t96 h SER 2241Ca 0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 1t96 h SER 2241Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1t96 h SER 2241CO -0.62 0.00 -0.56 0.00 -0.87 0.00 0.00 176.83 174.78 1t96 n GLN 2242N -3.33 0.03 -0.16 4.77 6.02 -0.13 -4.34 117.38 120.24 1t96 n GLN 2242Ca -0.03 0.01 -0.06 0.00 -0.01 0.00 0.00 57.00 56.91 1t96 n GLN 2242Cb 0.09 -1.52 0.04 0.00 1.02 0.00 0.00 30.24 29.87 1t96 n GLN 2242CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1t96 h LEU 2243N 0.00 0.45 0.10 1.08 5.85 -1.41 -2.96 115.31 118.43 1t96 h LEU 2243Ca 0.00 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.75 1t96 h LEU 2243Cb 0.53 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 1t96 h LEU 2243CO 0.00 0.32 -0.22 -0.08 -0.34 0.00 0.00 178.44 178.12 1t96 h GLU 2244N 0.57 -0.39 -0.66 1.25 4.81 -1.77 -1.82 114.58 116.56 1t96 h GLU 2244Ca 0.20 0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.53 1t96 h GLU 2244Cb 0.05 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 1t96 h GLU 2244CO -0.11 -0.26 0.44 0.78 -0.73 0.00 0.00 179.01 179.13 1t96 h GLY 2245N -0.41 0.81 1.64 1.92 0.00 -1.82 -1.43 103.07 103.78 1t96 h GLY 2245Ca 0.03 -0.25 -0.16 0.00 0.00 0.00 0.00 47.33 46.95 1t96 h GLY 2245CO -0.13 0.18 -0.63 -2.22 0.00 0.00 0.00 176.54 173.73 1t96 h ILE 2246N 0.63 1.37 -0.11 2.60 2.04 -1.27 -1.87 117.51 120.90 1t96 h ILE 2246Ca 0.29 -1.99 -0.06 0.00 1.00 0.00 0.00 64.86 64.10 1t96 h ILE 2246Cb 0.33 1.99 -0.00 0.00 -0.74 0.00 0.00 36.82 38.40 1t96 h ILE 2246CO -0.09 0.60 -0.15 0.40 0.00 0.00 0.00 178.15 178.91 1t96 h ILE 2247N 0.27 1.37 -0.69 -0.67 2.04 -0.69 -1.61 117.51 117.53 1t96 h ILE 2247Ca -0.01 -1.37 0.05 0.00 1.00 0.00 0.00 64.86 64.53 1t96 h ILE 2247Cb 1.17 2.02 -0.05 0.00 -0.74 0.00 0.00 36.82 39.22 1t96 h ILE 2247CO 0.11 0.39 0.40 -0.08 0.00 0.00 0.00 178.15 178.97 1t96 h GLU 2248N -0.13 0.73 -0.69 2.37 4.57 -1.30 -1.15 114.58 118.98 1t96 h GLU 2248Ca 0.01 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 1t96 h GLU 2248Cb 0.70 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 29.10 1t96 h GLU 2248CO 0.04 0.48 0.35 0.00 -1.18 0.00 0.00 179.01 178.70 1t96 h ALA 2249N 1.35 0.88 0.00 2.92 0.00 -1.25 -1.76 119.26 121.40 1t96 h ALA 2249Ca 0.30 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 1t96 h ALA 2249Cb 0.16 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1t96 h ALA 2249CO -0.17 0.42 -0.58 -0.84 0.00 0.00 0.00 179.25 178.09 1t96 h ILE 2250N 0.95 1.23 -0.36 0.00 3.07 -0.77 -1.82 117.51 119.82 1t96 h ILE 2250Ca 0.24 -2.12 -0.16 0.00 1.55 0.00 0.00 64.86 64.37 1t96 h ILE 2250Cb 0.08 2.20 -0.01 0.00 -0.27 0.00 0.00 36.82 38.83 1t96 h ILE 2250CO -0.03 0.57 -0.41 -0.07 -1.05 0.00 0.00 178.15 177.16 1t96 h LEU 2251N 0.00 0.94 0.05 0.16 3.38 -0.97 0.31 115.31 119.19 1t96 h LEU 2251Ca -0.01 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 1t96 h LEU 2251Cb 1.16 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1t96 h LEU 2251CO 0.08 1.22 -0.02 -0.33 0.09 0.00 0.00 178.44 179.48 1t96 h GLU 2252N 0.71 -0.06 -0.48 1.13 5.08 -1.21 0.72 114.58 120.48 1t96 h GLU 2252Ca 0.05 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1t96 h GLU 2252Cb 0.99 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 1t96 h GLU 2252CO 0.10 0.18 0.30 0.82 -1.00 0.00 0.00 179.01 179.41 1t96 h ILE 2253N -0.31 1.08 -0.89 3.13 2.04 -1.31 -1.96 117.51 119.28 1t96 h ILE 2253Ca -0.01 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 1t96 h ILE 2253Cb 0.28 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 1t96 h ILE 2253CO 0.01 0.11 0.55 -0.09 0.00 0.00 0.00 178.15 178.73 1t96 h ARG 2254N 0.60 1.20 -0.51 2.37 2.43 -0.84 0.17 114.38 119.79 1t96 h ARG 2254Ca 0.18 -0.10 0.03 0.00 -0.81 0.00 0.00 59.98 59.29 1t96 h ARG 2254Cb -0.02 -0.26 -0.04 0.00 -0.42 0.00 0.00 29.97 29.24 1t96 h ARG 2254CO -0.07 0.83 0.29 1.49 -1.51 0.00 0.00 179.97 180.99 1t96 h GLU 2255N 1.22 0.55 0.02 0.20 4.22 -0.10 0.84 114.58 121.53 1t96 h GLU 2255Ca 0.32 -0.03 -0.13 0.00 0.08 0.00 0.00 59.36 59.60 1t96 h GLU 2255Cb -0.08 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.06 1t96 h GLU 2255CO -0.06 0.36 -0.50 0.28 -2.18 0.00 0.00 179.01 176.91 1t96 h VAL 2256N 0.56 1.49 -0.13 0.32 2.07 -1.10 -3.36 116.25 116.10 1t96 h VAL 2256Ca 0.22 -2.11 -0.12 0.00 0.82 0.00 0.00 66.70 65.50 1t96 h VAL 2256Cb 0.08 2.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 1t96 h VAL 2256CO -0.12 0.60 -0.46 0.00 0.02 0.00 0.00 177.57 177.61 1t96 h ALA 2257N 0.26 0.98 -0.40 1.67 0.00 -0.57 -3.21 119.26 117.99 1t96 h ALA 2257Ca -0.07 -0.45 0.12 0.00 0.00 0.00 0.00 54.91 54.51 1t96 h ALA 2257Cb 1.25 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1t96 h ALA 2257CO 0.10 0.64 0.59 0.66 0.00 0.00 0.00 179.25 181.24 1t96 h SER 2258N 0.27 0.00 0.19 0.00 4.64 -0.98 0.36 113.55 118.02 1t96 h SER 2258Ca 0.02 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1t96 h SER 2258Cb 0.91 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1t96 h SER 2258CO 0.08 0.00 -0.05 0.50 -0.87 0.00 0.00 176.83 176.49 1t96 h LYS 2259N 0.00 0.00 -0.27 4.77 3.64 -1.78 -2.85 116.57 120.08 1t96 h LYS 2259Ca 0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1t96 h LYS 2259Cb 1.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 1t96 h LYS 2259CO -0.00 0.05 0.00 0.66 -2.27 0.00 0.00 179.45 177.88 1t96 n TYR 2260N -3.61 0.35 -1.72 1.91 4.02 0.12 -4.98 117.16 113.26 1t96 n TYR 2260Ca -0.02 -0.30 -0.42 0.00 -0.01 0.00 0.00 57.90 57.14 1t96 n TYR 2260Cb 0.15 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.43 1t96 n TYR 2260CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1t96 s TYR 2261N -1.06 2.46 0.41 -0.72 2.02 -1.08 -4.93 117.35 114.45 1t96 s TYR 2261Ca 0.24 0.12 -0.25 0.00 -0.37 0.00 0.00 57.07 56.81 1t96 s TYR 2261Cb 0.14 -4.17 -0.08 0.00 -0.40 0.00 0.00 41.96 37.45 1t96 s TYR 2261CO 0.19 -4.66 1.20 -1.21 -1.57 0.00 0.00 175.55 169.50 1t96 s GLU 2262N 2.09 4.00 -0.14 -0.62 8.01 -1.26 -4.91 118.70 125.87 1t96 s GLU 2262Ca 0.79 1.91 -0.29 0.00 0.01 0.00 0.00 54.97 57.38 1t96 s GLU 2262Cb -0.48 -2.67 -0.07 0.00 -4.31 0.00 0.00 34.13 26.61 1t96 s GLU 2262CO 0.35 -0.38 2.14 2.41 0.01 0.00 0.00 175.26 179.78 1t96 n THR 2263N 0.04 0.48 0.00 3.63 -1.04 -1.26 -5.15 114.28 110.97 1t96 n THR 2263Ca 0.04 -0.35 0.00 0.00 -2.04 0.00 0.00 64.05 61.70 1t96 n THR 2263Cb 0.46 -2.45 0.00 0.00 -1.82 0.00 0.00 70.33 66.52 1t96 n THR 2263CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43