#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pe1 s LYS 2003N 0.00 3.48 0.20 5.31 -2.85 -1.26 -5.04 119.74 119.57 1pe1 s LYS 2003Ca 0.00 -0.48 -0.32 0.00 -1.00 0.00 0.00 55.97 54.16 1pe1 s LYS 2003Cb 0.00 -2.89 -0.12 0.00 -2.06 0.00 0.00 37.83 32.76 1pe1 s LYS 2003CO 0.00 0.44 1.69 0.34 0.10 0.00 0.00 175.35 177.92 1pe1 n PHE 2004N -0.74 2.63 -3.42 1.78 -0.00 -1.26 -4.61 117.46 111.85 1pe1 n PHE 2004Ca -0.06 0.09 -0.38 0.00 -0.00 0.00 0.00 57.45 57.10 1pe1 n PHE 2004Cb 0.54 -2.64 -0.06 0.00 -0.00 0.00 0.00 39.48 37.32 1pe1 n PHE 2004CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 1pe1 s LEU 2005N 1.12 4.40 -0.17 -2.13 2.96 -0.59 -0.87 118.68 123.40 1pe1 s LEU 2005Ca 0.76 0.91 0.01 0.00 -0.22 0.00 0.00 54.13 55.58 1pe1 s LEU 2005Cb -0.55 -2.64 0.03 0.00 0.50 0.00 0.00 46.19 43.53 1pe1 s LEU 2005CO 0.34 0.19 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.74 1pe1 s VAL 2006N -0.39 1.61 -0.23 1.68 1.01 -0.41 -1.08 120.40 122.59 1pe1 s VAL 2006Ca 0.24 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 1pe1 s VAL 2006Cb -0.16 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 1pe1 s VAL 2006CO 0.12 0.37 0.02 -0.63 0.00 0.00 0.00 175.10 174.98 1pe1 s ILE 2007N 1.45 3.93 0.05 2.22 1.01 -0.41 -0.62 121.20 128.84 1pe1 s ILE 2007Ca 0.03 -0.31 -0.14 0.00 0.00 0.00 0.00 60.65 60.23 1pe1 s ILE 2007Cb -0.14 -2.81 0.02 0.00 0.01 0.00 0.00 42.46 39.55 1pe1 s ILE 2007CO -0.10 0.39 0.33 0.00 0.00 0.00 0.00 174.94 175.56 1pe1 s ALA 2008N 1.38 -0.74 0.00 9.38 0.00 -0.34 -0.44 121.76 131.00 1pe1 s ALA 2008Ca 0.05 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.04 1pe1 s ALA 2008Cb -0.15 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.33 1pe1 s ALA 2008CO 0.01 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 175.74 1pe1 n GLY 2009N 0.49 0.49 3.77 0.00 0.00 -1.13 -1.10 105.19 107.71 1pe1 n GLY 2009Ca -0.18 -1.37 -0.38 0.00 0.00 0.00 0.00 46.02 44.10 1pe1 n GLY 2009CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pe1 s PRO 2010N -1.88 4.06 0.11 1.61 0.04 -0.96 -0.32 135.00 137.66 1pe1 s PRO 2010Ca 0.00 1.73 -0.31 0.00 0.04 0.00 0.00 61.00 62.46 1pe1 s PRO 2010Cb 0.00 -2.61 -0.11 0.00 0.04 0.00 0.00 34.50 31.82 1pe1 s PRO 2010CO 0.00 -0.28 1.59 0.00 0.04 0.00 0.00 177.00 178.35 1pe1 s ALA 2012N -5.94 3.01 -1.25 0.00 0.00 -1.26 -1.57 121.76 114.75 1pe1 s ALA 2012Ca -0.16 -1.16 -0.20 0.00 0.00 0.00 0.00 51.96 50.45 1pe1 s ALA 2012Cb 0.07 -1.00 0.02 0.00 0.00 0.00 0.00 23.12 22.21 1pe1 s ALA 2012CO 0.63 0.64 1.79 0.42 0.00 0.00 0.00 175.76 179.24 1pe1 s ILE 2013N -1.15 3.94 0.32 0.00 1.01 -0.51 -4.68 121.20 120.13 1pe1 s ILE 2013Ca 0.20 -1.57 0.17 0.00 0.00 0.00 0.00 60.65 59.46 1pe1 s ILE 2013Cb -0.11 -5.00 0.14 0.00 0.01 0.00 0.00 42.46 37.50 1pe1 s ILE 2013CO 0.12 -1.72 1.84 -0.33 0.00 0.00 0.00 174.94 174.86 1pe1 h GLU 2014N 8.33 0.00 -1.22 2.79 5.08 -1.96 -3.42 114.58 124.18 1pe1 h GLU 2014Ca 0.37 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.91 1pe1 h GLU 2014Cb 0.90 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 29.88 1pe1 h GLU 2014CO 1.39 0.33 0.80 -1.54 -1.00 0.00 0.00 179.01 179.00 1pe1 s SER 2015N -6.65 -0.15 0.50 1.42 1.04 -1.26 -5.00 113.70 103.60 1pe1 s SER 2015Ca -0.02 0.20 0.24 0.00 0.48 0.00 0.00 55.95 56.85 1pe1 s SER 2015Cb 0.13 0.17 1.31 0.00 0.10 0.00 0.00 66.02 67.73 1pe1 s SER 2015CO 0.69 -0.12 1.95 -0.08 0.98 0.00 0.00 173.24 176.66 1pe1 h GLU 2016N 2.52 0.12 0.79 4.02 4.81 -1.94 -2.19 114.58 122.71 1pe1 h GLU 2016Ca -0.15 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.03 1pe1 h GLU 2016Cb 1.18 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.54 1pe1 h GLU 2016CO 0.23 0.08 -0.38 1.49 -0.73 0.00 0.00 179.01 179.70 1pe1 h GLU 2017N 0.13 -1.02 -0.80 1.92 4.81 -1.98 -2.57 114.58 115.07 1pe1 h GLU 2017Ca 0.32 0.07 0.15 0.00 -0.13 0.00 0.00 59.36 59.77 1pe1 h GLU 2017Cb 1.10 0.23 -0.10 0.00 0.63 0.00 0.00 28.75 30.62 1pe1 h GLU 2017CO -0.04 -0.67 0.35 1.25 -0.73 0.00 0.00 179.01 179.18 1pe1 h LEU 2018N -1.17 0.37 -1.54 1.64 5.85 -1.80 0.33 115.31 118.99 1pe1 h LEU 2018Ca -0.11 0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1pe1 h LEU 2018Cb 0.83 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.89 1pe1 h LEU 2018CO 0.18 0.13 0.34 -0.07 -0.34 0.00 0.00 178.44 178.68 1pe1 h LEU 2019N 0.50 0.53 -0.30 2.25 3.38 -1.33 -0.93 115.31 119.41 1pe1 h LEU 2019Ca 0.44 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 58.20 1pe1 h LEU 2019Cb 0.67 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1pe1 h LEU 2019CO -0.40 0.38 -0.74 -0.07 0.09 0.00 0.00 178.44 177.69 1pe1 h LEU 2020N 0.62 0.71 -0.03 1.67 3.38 -0.01 0.70 115.31 122.35 1pe1 h LEU 2020Ca 0.20 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1pe1 h LEU 2020Cb 0.02 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 1pe1 h LEU 2020CO -0.05 1.23 0.01 0.50 0.09 0.00 0.00 178.44 180.22 1pe1 h LYS 2021N 0.41 0.05 -0.48 1.13 3.64 -0.53 -0.77 116.57 120.02 1pe1 h LYS 2021Ca -0.04 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 1pe1 h LYS 2021Cb 1.34 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.13 1pe1 h LYS 2021CO 0.14 0.24 0.05 0.28 -2.27 0.00 0.00 179.45 177.89 1pe1 h VAL 2022N -0.14 1.23 -0.49 2.00 2.07 -1.14 -2.38 116.25 117.40 1pe1 h VAL 2022Ca 0.01 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.61 1pe1 h VAL 2022Cb 0.21 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1pe1 h VAL 2022CO -0.00 0.32 0.20 1.23 0.02 0.00 0.00 177.57 179.35 1pe1 h GLY 2023N 0.95 0.74 0.97 2.17 0.00 0.74 -1.63 103.07 107.02 1pe1 h GLY 2023Ca 0.15 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1pe1 h GLY 2023CO 0.01 0.34 0.23 -2.09 0.00 0.00 0.00 176.54 175.03 1pe1 h GLU 2024N 0.69 0.60 -0.32 4.80 4.81 -0.62 0.19 114.58 124.74 1pe1 h GLU 2024Ca 0.17 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 59.19 1pe1 h GLU 2024Cb 0.12 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1pe1 h GLU 2024CO -0.02 0.49 -0.35 1.49 -0.73 0.00 0.00 179.01 179.90 1pe1 h GLU 2025N 0.56 0.72 -0.12 1.92 4.57 -1.27 0.36 114.58 121.30 1pe1 h GLU 2025Ca 0.15 -0.34 -0.15 0.00 -1.18 0.00 0.00 59.36 57.83 1pe1 h GLU 2025Cb 0.07 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1pe1 h GLU 2025CO -0.02 0.96 -0.57 0.82 -1.18 0.00 0.00 179.01 179.01 1pe1 h ILE 2026N 0.60 1.35 -0.15 2.32 2.04 -1.10 -1.12 117.51 121.46 1pe1 h ILE 2026Ca 0.06 -1.87 -0.00 0.00 1.00 0.00 0.00 64.86 64.05 1pe1 h ILE 2026Cb 0.87 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 1pe1 h ILE 2026CO 0.08 0.57 0.07 0.50 0.00 0.00 0.00 178.15 179.36 1pe1 h LYS 2027N 0.30 0.21 -0.10 2.37 1.63 -0.29 0.11 116.57 120.79 1pe1 h LYS 2027Ca 0.00 -0.03 0.04 0.00 -0.85 0.00 0.00 60.65 59.81 1pe1 h LYS 2027Cb 1.09 -0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 32.63 1pe1 h LYS 2027CO 0.10 0.25 -0.23 -0.09 -3.45 0.00 0.00 179.45 176.03 1pe1 h ARG 2028N 0.11 -0.29 -0.26 1.90 2.43 -0.66 -1.22 114.38 116.39 1pe1 h ARG 2028Ca 0.05 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1pe1 h ARG 2028Cb 0.11 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1pe1 h ARG 2028CO -0.01 -0.19 0.07 -0.07 -1.51 0.00 0.00 179.97 178.26 1pe1 h LEU 2029N -0.30 0.32 -1.51 3.80 -0.00 -1.04 0.07 115.31 116.65 1pe1 h LEU 2029Ca 0.09 -0.03 0.05 0.00 -0.00 0.00 0.00 57.88 57.99 1pe1 h LEU 2029Cb 0.44 -0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 40.98 1pe1 h LEU 2029CO -0.27 0.32 0.39 -1.28 -0.00 0.00 0.00 178.44 177.60 1pe1 h SER 2030N 0.36 0.54 0.94 -0.43 0.87 0.40 0.14 113.55 116.37 1pe1 h SER 2030Ca 0.09 -0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.44 1pe1 h SER 2030Cb 0.12 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 1pe1 h SER 2030CO -0.01 0.36 -1.12 -0.33 -0.53 0.00 0.00 176.83 175.21 1pe1 h GLU 2031N 0.62 0.00 0.02 2.24 4.39 -0.34 -3.30 114.58 118.21 1pe1 h GLU 2031Ca 0.25 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.73 1pe1 h GLU 2031Cb 0.19 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1pe1 h GLU 2031CO -0.07 0.73 -0.95 -0.22 -1.16 0.00 0.00 179.01 177.34 1pe1 h LYS 2032N 0.00 0.24 -3.02 2.33 3.64 -0.79 -3.39 116.57 115.58 1pe1 h LYS 2032Ca -0.09 -0.29 -0.63 0.00 -1.27 0.00 0.00 60.65 58.37 1pe1 h LYS 2032Cb 1.74 0.09 -0.41 0.00 -0.41 0.00 0.00 32.23 33.24 1pe1 h LYS 2032CO 0.10 1.03 -0.51 1.19 -2.27 0.00 0.00 179.45 178.99 1pe1 n PHE 2033N -3.64 3.41 0.30 1.91 3.01 0.43 -4.93 117.46 117.96 1pe1 n PHE 2033Ca -0.05 -4.28 0.19 0.00 1.01 0.00 0.00 57.45 54.33 1pe1 n PHE 2033Cb 0.85 -0.68 0.88 0.00 -0.01 0.00 0.00 39.48 40.52 1pe1 n PHE 2033CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1pe1 h LYS 2034N 5.33 0.00 0.00 -1.08 1.79 -1.77 -2.53 116.57 118.31 1pe1 h LYS 2034Ca 0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1pe1 h LYS 2034Cb 0.75 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.40 1pe1 h LYS 2034CO 0.75 0.00 -0.07 0.39 -1.08 0.00 0.00 179.45 179.44 1pe1 n GLU 2035N -3.02 0.18 -3.55 3.15 4.71 -1.26 -4.81 120.64 116.05 1pe1 n GLU 2035Ca -0.01 0.13 -0.38 0.00 -0.01 0.00 0.00 57.16 56.90 1pe1 n GLU 2035Cb 0.21 -1.70 -0.06 0.00 -1.01 0.00 0.00 31.44 28.88 1pe1 n GLU 2035CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1pe1 s VAL 2036N -3.07 5.14 -0.42 2.62 1.01 -0.95 -3.99 120.40 120.74 1pe1 s VAL 2036Ca 0.11 0.72 -0.19 0.00 0.00 0.00 0.00 61.98 62.63 1pe1 s VAL 2036Cb 0.15 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.88 1pe1 s VAL 2036CO 0.59 0.54 0.52 -0.70 0.00 0.00 0.00 175.10 176.05 1pe1 s GLU 2037N -0.76 3.24 0.04 2.72 2.12 -0.05 -4.98 118.70 121.02 1pe1 s GLU 2037Ca 0.22 -0.54 -0.20 0.00 0.36 0.00 0.00 54.97 54.81 1pe1 s GLU 2037Cb -0.15 -3.94 -0.06 0.00 0.26 0.00 0.00 34.13 30.24 1pe1 s GLU 2037CO 0.11 -0.87 0.58 -0.06 -0.54 0.00 0.00 175.26 174.48 1pe1 s PHE 2038N 2.40 3.76 -0.11 5.30 0.40 -1.26 -1.29 117.98 127.18 1pe1 s PHE 2038Ca 0.16 1.25 0.01 0.00 -0.60 0.00 0.00 56.93 57.75 1pe1 s PHE 2038Cb -0.16 -2.55 0.02 0.00 0.51 0.00 0.00 43.02 40.84 1pe1 s PHE 2038CO 0.15 0.49 -0.11 0.08 0.70 0.00 0.00 175.22 176.53 1pe1 s VAL 2039N -0.71 1.20 0.02 -0.44 1.01 0.21 -4.16 120.40 117.54 1pe1 s VAL 2039Ca 0.30 -0.43 -0.28 0.00 0.00 0.00 0.00 61.98 61.56 1pe1 s VAL 2039Cb -0.19 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1pe1 s VAL 2039CO 0.18 0.39 0.90 0.12 0.00 0.00 0.00 175.10 176.69 1pe1 s PHE 2040N 1.31 3.70 -0.02 5.22 5.36 0.07 -1.20 117.98 132.42 1pe1 s PHE 2040Ca -0.02 1.63 0.06 0.00 -0.96 0.00 0.00 56.93 57.64 1pe1 s PHE 2040Cb -0.14 -3.01 -0.01 0.00 -0.34 0.00 0.00 43.02 39.51 1pe1 s PHE 2040CO -0.05 0.10 -0.20 0.21 -1.46 0.00 0.00 175.22 173.82 1pe1 s LYS 2041N 0.57 1.66 -0.20 10.12 2.36 -0.26 -0.69 119.74 133.30 1pe1 s LYS 2041Ca 0.47 -0.72 -0.28 0.00 -2.55 0.00 0.00 55.97 52.89 1pe1 s LYS 2041Cb -0.21 -1.59 0.11 0.00 -1.05 0.00 0.00 37.83 35.09 1pe1 s LYS 2041CO 0.26 0.43 0.92 0.45 1.55 0.00 0.00 175.35 178.96 1pe1 s SER 2042N -0.45 -0.49 -0.12 1.43 0.15 -1.18 -3.44 113.70 109.60 1pe1 s SER 2042Ca 0.07 0.75 -0.12 0.00 0.70 0.00 0.00 55.95 57.35 1pe1 s SER 2042Cb -0.08 0.69 -0.05 0.00 -1.71 0.00 0.00 66.02 64.87 1pe1 s SER 2042CO -0.01 -0.31 0.28 -0.44 1.20 0.00 0.00 173.24 173.96 1pe1 s SER 2043N -0.48 6.50 0.17 5.45 0.01 -0.61 -4.50 113.70 120.23 1pe1 s SER 2043Ca -0.01 0.59 0.25 0.00 1.31 0.00 0.00 55.95 58.08 1pe1 s SER 2043Cb -0.02 -2.17 0.56 0.00 0.21 0.00 0.00 66.02 64.60 1pe1 s SER 2043CO 0.00 0.22 1.54 2.22 0.41 0.00 0.00 173.24 177.63 1pe1 n PHE 2044N 2.84 0.76 -3.67 2.43 1.16 -1.26 -1.43 117.46 118.29 1pe1 n PHE 2044Ca -0.14 0.22 -0.09 0.00 -1.87 0.00 0.00 57.45 55.57 1pe1 n PHE 2044Cb 0.53 -0.81 -0.10 0.00 -1.61 0.00 0.00 39.48 37.50 1pe1 n PHE 2044CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1pe1 s ASP 2045N -4.40 -0.47 -0.96 5.98 2.15 -1.26 -3.62 116.67 114.08 1pe1 s ASP 2045Ca 0.08 1.03 -0.17 0.00 0.43 0.00 0.00 52.55 53.92 1pe1 s ASP 2045Cb 0.13 1.17 0.16 0.00 -0.30 0.00 0.00 42.92 44.07 1pe1 s ASP 2045CO 0.66 -0.22 1.11 -0.54 -0.17 0.00 0.00 175.17 176.02 1pe1 s LYS 2046N 2.05 3.70 0.00 4.34 -0.14 0.31 -4.85 119.74 125.14 1pe1 s LYS 2046Ca -0.06 -2.06 0.29 0.00 -1.36 0.00 0.00 55.97 52.78 1pe1 s LYS 2046Cb -0.10 -4.85 1.54 0.00 -1.68 0.00 0.00 37.83 32.75 1pe1 s LYS 2046CO -0.14 -1.67 2.03 0.00 -0.76 0.00 0.00 175.35 174.80 1pe1 n ALA 2047N 5.85 2.47 -2.22 5.17 0.00 -1.26 -3.99 120.51 126.52 1pe1 n ALA 2047Ca 0.24 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1pe1 n ALA 2047Cb 0.47 -1.47 0.08 0.00 0.00 0.00 0.00 19.45 18.54 1pe1 n ALA 2047CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1pe1 n ASN 2048N -1.20 1.85 -4.75 0.00 2.04 -1.26 -5.08 115.26 106.86 1pe1 n ASN 2048Ca 0.16 -2.83 -0.36 0.00 -0.44 0.00 0.00 54.58 51.11 1pe1 n ASN 2048Cb 0.19 -0.41 0.04 0.00 -2.53 0.00 0.00 39.78 37.07 1pe1 n ASN 2048CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 1pe1 s ARG 2049N -2.14 2.97 0.22 -3.83 1.81 -1.26 -4.92 118.95 111.80 1pe1 s ARG 2049Ca 0.36 1.89 -0.09 0.00 -1.72 0.00 0.00 55.73 56.17 1pe1 s ARG 2049Cb 0.37 -1.96 0.18 0.00 -0.45 0.00 0.00 34.95 33.09 1pe1 s ARG 2049CO -0.09 -1.22 1.86 1.03 -0.68 0.00 0.00 175.30 176.20 1pe1 h SER 2050N 0.94 0.98 -3.01 0.23 0.87 -1.98 -3.43 113.55 108.14 1pe1 h SER 2050Ca -0.51 -0.07 -0.67 0.00 -1.23 0.00 0.00 61.79 59.32 1pe1 h SER 2050Cb 1.30 -0.25 -0.11 0.00 -0.44 0.00 0.00 62.40 62.90 1pe1 h SER 2050CO 0.55 0.76 -0.55 -0.55 -0.53 0.00 0.00 176.83 176.51 1pe1 s SER 2051N -6.05 5.79 0.61 6.23 0.15 -1.26 -4.98 113.70 114.19 1pe1 s SER 2051Ca -0.13 0.29 0.40 0.00 0.70 0.00 0.00 55.95 57.21 1pe1 s SER 2051Cb 0.16 -1.78 1.96 0.00 -1.71 0.00 0.00 66.02 64.65 1pe1 s SER 2051CO 0.80 0.38 2.20 -0.29 1.20 0.00 0.00 173.24 177.52 1pe1 h ILE 2052N 4.13 0.00 -0.11 6.45 6.09 -2.03 -2.65 117.51 129.39 1pe1 h ILE 2052Ca -0.52 -0.22 0.00 0.00 -1.37 0.00 0.00 64.86 62.75 1pe1 h ILE 2052Cb 1.21 1.21 0.00 0.00 0.47 0.00 0.00 36.82 39.71 1pe1 h ILE 2052CO 0.57 0.00 0.00 1.41 -3.07 0.00 0.00 178.15 177.06 1pe1 n HIS 2053N -3.06 0.14 -2.74 2.19 8.25 -1.26 -4.94 115.22 113.80 1pe1 n HIS 2053Ca -0.01 -0.07 -0.27 0.00 -0.26 0.00 0.00 57.72 57.11 1pe1 n HIS 2053Cb 0.17 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.28 1pe1 n HIS 2053CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1pe1 s SER 2054N -1.68 6.28 0.13 0.41 0.01 -1.00 -5.03 113.70 112.82 1pe1 s SER 2054Ca 0.34 0.88 -0.31 0.00 1.31 0.00 0.00 55.95 58.16 1pe1 s SER 2054Cb 0.18 -2.22 -0.09 0.00 0.21 0.00 0.00 66.02 64.09 1pe1 s SER 2054CO 0.28 -0.53 1.57 0.12 0.41 0.00 0.00 173.24 175.09 1pe1 s PHE 2055N -2.67 2.90 -0.16 2.43 5.36 -1.26 -4.91 117.98 119.66 1pe1 s PHE 2055Ca 0.47 0.57 -0.02 0.00 -0.96 0.00 0.00 56.93 56.99 1pe1 s PHE 2055Cb -0.10 -3.91 -0.09 0.00 -0.34 0.00 0.00 43.02 38.57 1pe1 s PHE 2055CO 0.43 -3.44 -0.16 0.54 -1.46 0.00 0.00 175.22 171.12 1pe1 n ARG 2056N 4.44 0.39 -0.52 10.12 1.74 -1.26 -4.67 116.66 126.90 1pe1 n ARG 2056Ca 0.14 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.33 1pe1 n ARG 2056Cb 0.39 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 1pe1 n ARG 2056CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pe1 n GLY 2057N 2.50 0.74 0.32 -0.13 0.00 -1.26 -0.53 105.19 106.83 1pe1 n GLY 2057Ca -0.30 -1.80 0.04 0.00 0.00 0.00 0.00 46.02 43.96 1pe1 n GLY 2057CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1pe1 n HIS 2058N 9.00 0.25 0.00 1.61 8.25 -1.25 -5.05 115.22 128.03 1pe1 n HIS 2058Ca 0.00 -0.57 0.00 0.00 -0.26 0.00 0.00 57.72 56.89 1pe1 n HIS 2058Cb 0.00 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.04 1pe1 n HIS 2058CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pe1 n GLY 2059N -0.18 1.11 0.32 -1.41 0.00 -1.24 -4.36 105.19 99.44 1pe1 n GLY 2059Ca 0.07 -1.80 -0.06 0.00 0.00 0.00 0.00 46.02 44.24 1pe1 n GLY 2059CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1pe1 h LEU 2060N 0.00 0.97 0.21 0.99 5.85 -1.99 -1.75 115.31 119.59 1pe1 h LEU 2060Ca 0.00 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 1pe1 h LEU 2060Cb 0.00 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.78 1pe1 h LEU 2060CO 0.00 0.93 -0.10 -0.33 -0.34 0.00 0.00 178.44 178.60 1pe1 h GLU 2061N 0.98 -0.28 -0.94 1.25 5.08 -1.97 0.61 114.58 119.31 1pe1 h GLU 2061Ca 0.21 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.60 1pe1 h GLU 2061Cb 0.35 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.61 1pe1 h GLU 2061CO 0.00 0.01 0.63 -0.92 -1.00 0.00 0.00 179.01 177.72 1pe1 h TYR 2062N -0.55 1.18 -0.11 4.33 3.20 -1.76 -1.88 116.97 121.38 1pe1 h TYR 2062Ca -0.03 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1pe1 h TYR 2062Cb 0.41 -0.40 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 1pe1 h TYR 2062CO 0.01 0.74 0.02 0.78 -1.64 0.00 0.00 178.16 178.07 1pe1 h GLY 2063N 1.27 0.20 1.66 1.82 0.00 -1.02 -1.03 103.07 105.97 1pe1 h GLY 2063Ca 0.35 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.52 1pe1 h GLY 2063CO -0.08 0.13 0.06 -2.08 0.00 0.00 0.00 176.54 174.56 1pe1 h VAL 2064N -0.04 1.15 -0.05 4.60 2.07 -0.75 -1.02 116.25 122.21 1pe1 h VAL 2064Ca 0.03 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1pe1 h VAL 2064Cb 0.29 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1pe1 h VAL 2064CO 0.00 0.19 0.00 0.50 0.02 0.00 0.00 177.57 178.29 1pe1 h LYS 2065N 0.43 0.09 -0.83 1.57 3.64 -1.13 0.71 116.57 121.04 1pe1 h LYS 2065Ca 0.10 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1pe1 h LYS 2065Cb 0.19 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 1pe1 h LYS 2065CO -0.00 0.34 0.44 0.00 -2.27 0.00 0.00 179.45 177.96 1pe1 h ALA 2066N 0.74 1.07 0.00 5.00 0.00 -0.81 -1.02 119.26 124.23 1pe1 h ALA 2066Ca 0.01 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1pe1 h ALA 2066Cb 0.30 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1pe1 h ALA 2066CO 0.00 0.59 -0.44 -0.07 0.00 0.00 0.00 179.25 179.34 1pe1 h LEU 2067N 1.16 0.00 -0.47 0.00 3.38 -1.07 -2.14 115.31 116.18 1pe1 h LEU 2067Ca 0.29 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.12 1pe1 h LEU 2067Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1pe1 h LEU 2067CO -0.04 0.44 -0.28 -0.09 0.09 0.00 0.00 178.44 178.55 1pe1 h ARG 2068N 0.00 0.97 -0.99 1.13 2.43 -0.24 -2.03 114.38 115.65 1pe1 h ARG 2068Ca -0.00 -0.45 0.02 0.00 -0.81 0.00 0.00 59.98 58.74 1pe1 h ARG 2068Cb 0.81 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.29 1pe1 h ARG 2068CO 0.06 1.11 0.65 -0.22 -1.51 0.00 0.00 179.97 180.06 1pe1 h LYS 2069N 0.82 1.26 -0.34 0.20 1.63 -0.58 -0.11 116.57 119.44 1pe1 h LYS 2069Ca 0.09 -0.08 -0.06 0.00 -0.85 0.00 0.00 60.65 59.76 1pe1 h LYS 2069Cb 0.86 -0.28 -0.01 0.00 -0.60 0.00 0.00 32.23 32.20 1pe1 h LYS 2069CO 0.08 0.83 -0.00 0.28 -3.45 0.00 0.00 179.45 177.19 1pe1 h VAL 2070N 1.29 1.26 -0.69 2.00 2.07 -1.19 0.79 116.25 121.78 1pe1 h VAL 2070Ca 0.38 -0.97 -0.07 0.00 0.82 0.00 0.00 66.70 66.86 1pe1 h VAL 2070Cb -0.08 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1pe1 h VAL 2070CO -0.10 0.32 0.16 0.50 0.02 0.00 0.00 177.57 178.47 1pe1 h LYS 2071N 0.42 1.11 0.12 1.57 3.64 -0.92 -0.55 116.57 121.95 1pe1 h LYS 2071Ca 0.10 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.20 1pe1 h LYS 2071Cb 0.45 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1pe1 h LYS 2071CO 0.02 0.98 -0.06 0.93 -2.27 0.00 0.00 179.45 179.05 1pe1 h GLU 2072N 1.04 -0.15 -0.61 1.90 5.08 -0.92 0.25 114.58 121.17 1pe1 h GLU 2072Ca 0.22 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.51 1pe1 h GLU 2072Cb 0.37 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 1pe1 h GLU 2072CO 0.00 0.24 0.09 1.49 -1.00 0.00 0.00 179.01 179.84 1pe1 h GLU 2073N -0.58 1.00 -0.00 2.33 4.81 -0.85 -3.36 114.58 117.94 1pe1 h GLU 2073Ca -0.02 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1pe1 h GLU 2073Cb 0.46 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1pe1 h GLU 2073CO 0.03 0.93 -0.16 1.19 -0.73 0.00 0.00 179.01 180.26 1pe1 n PHE 2074N -4.22 0.00 -1.24 0.92 3.72 -0.22 -5.01 117.46 111.40 1pe1 n PHE 2074Ca 0.04 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.36 1pe1 n PHE 2074Cb 0.28 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.79 1pe1 n PHE 2074CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pe1 n GLY 2075N 0.95 1.02 3.77 1.37 0.00 0.89 -4.99 105.19 108.20 1pe1 n GLY 2075Ca 0.01 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 45.03 1pe1 n GLY 2075CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pe1 s LEU 2076N -1.90 4.49 0.81 0.99 1.43 -1.25 -5.04 118.68 118.21 1pe1 s LEU 2076Ca 0.00 1.38 -0.12 0.00 -1.03 0.00 0.00 54.13 54.36 1pe1 s LEU 2076Cb 0.00 -3.09 0.09 0.00 0.03 0.00 0.00 46.19 43.21 1pe1 s LEU 2076CO 0.00 0.14 1.14 -0.54 0.23 0.00 0.00 176.35 177.32 1pe1 s LYS 2077N -0.56 1.74 0.08 1.70 1.02 -1.26 -4.44 119.74 118.02 1pe1 s LYS 2077Ca 0.34 1.49 0.07 0.00 0.02 0.00 0.00 55.97 57.89 1pe1 s LYS 2077Cb -0.20 -1.81 -0.03 0.00 -0.52 0.00 0.00 37.83 35.26 1pe1 s LYS 2077CO 0.21 -2.08 -0.18 0.42 -0.92 0.00 0.00 175.35 172.81 1pe1 s ILE 2078N -2.53 1.44 -0.05 2.17 -1.09 -1.26 -0.75 121.20 119.12 1pe1 s ILE 2078Ca 0.67 -1.38 -0.05 0.00 -2.23 0.00 0.00 60.65 57.66 1pe1 s ILE 2078Cb -0.23 -1.32 0.02 0.00 -1.58 0.00 0.00 42.46 39.35 1pe1 s ILE 2078CO 0.53 -0.09 0.14 0.28 -1.23 0.00 0.00 174.94 174.57 1pe1 s THR 2079N -1.14 -0.00 0.17 2.92 -1.32 0.13 -0.70 115.64 115.70 1pe1 s THR 2079Ca 0.03 0.02 -0.10 0.00 -1.21 0.00 0.00 61.69 60.42 1pe1 s THR 2079Cb -0.10 -0.21 -0.00 0.00 -1.51 0.00 0.00 72.50 70.68 1pe1 s THR 2079CO 0.03 0.01 0.33 0.28 -2.21 0.00 0.00 174.62 173.06 1pe1 s THR 2080N 0.18 0.05 0.07 5.08 -1.32 -1.21 -3.11 115.64 115.38 1pe1 s THR 2080Ca -0.01 -1.30 0.02 0.00 -1.21 0.00 0.00 61.69 59.18 1pe1 s THR 2080Cb -0.02 -1.83 -0.04 0.00 -1.51 0.00 0.00 72.50 69.10 1pe1 s THR 2080CO -0.00 -0.25 0.15 1.51 -2.21 0.00 0.00 174.62 173.81 1pe1 s ASP 2081N -2.96 5.94 0.25 8.08 -4.77 -1.26 -0.90 116.67 121.06 1pe1 s ASP 2081Ca 0.16 0.13 0.09 0.00 -3.30 0.00 0.00 52.55 49.63 1pe1 s ASP 2081Cb 0.02 -1.72 -0.04 0.00 -1.09 0.00 0.00 42.92 40.09 1pe1 s ASP 2081CO 0.00 0.17 0.06 0.27 0.70 0.00 0.00 175.17 176.37 1pe1 s ILE 2082N -1.46 3.81 0.00 2.11 -4.36 -0.82 -4.80 121.20 115.68 1pe1 s ILE 2082Ca 0.32 -1.70 0.00 0.00 -0.26 0.00 0.00 60.65 59.01 1pe1 s ILE 2082Cb -0.13 -3.03 0.00 0.00 1.25 0.00 0.00 42.46 40.55 1pe1 s ILE 2082CO 0.25 -0.34 0.00 1.41 0.24 0.00 0.00 174.94 176.50 1pe1 n HIS 2083N -0.92 0.00 -3.85 1.37 8.25 -1.26 -4.35 115.22 114.45 1pe1 n HIS 2083Ca -0.07 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.28 1pe1 n HIS 2083Cb 0.58 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.60 1pe1 n HIS 2083CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1pe1 s GLU 2084N -1.29 0.55 0.27 -0.41 2.02 -1.26 -5.08 118.70 113.50 1pe1 s GLU 2084Ca 0.00 -0.42 0.00 0.00 0.02 0.00 0.00 54.97 54.58 1pe1 s GLU 2084Cb 0.00 0.23 0.59 0.00 0.10 0.00 0.00 34.13 35.05 1pe1 s GLU 2084CO 0.00 -0.14 1.73 0.77 0.02 0.00 0.00 175.26 177.64 1pe1 h SER 2085N 4.06 0.41 -0.17 -0.19 0.02 -1.91 -1.36 113.55 114.41 1pe1 h SER 2085Ca -0.31 0.12 0.05 0.00 -0.84 0.00 0.00 61.79 60.81 1pe1 h SER 2085Cb 1.19 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 1pe1 h SER 2085CO 0.42 0.12 0.15 4.11 -1.14 0.00 0.00 176.83 180.49 1pe1 h TRP 2086N 0.51 0.00 0.00 3.45 5.08 -1.98 -2.31 115.95 120.70 1pe1 h TRP 2086Ca 0.49 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.46 1pe1 h TRP 2086Cb 0.80 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.96 1pe1 h TRP 2086CO -0.12 0.00 0.00 1.96 -1.28 0.00 0.00 178.44 179.00 1pe1 h GLN 2087N 0.00 0.00 0.31 0.12 4.20 -1.67 -3.36 115.11 114.71 1pe1 h GLN 2087Ca 0.08 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 1pe1 h GLN 2087Cb 0.37 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1pe1 h GLN 2087CO -0.00 0.00 -0.22 0.00 -0.67 0.00 0.00 178.83 177.94 1pe1 h ALA 2088N 2.30 -0.51 -0.24 3.87 0.00 -1.55 -2.34 119.26 120.78 1pe1 h ALA 2088Ca 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1pe1 h ALA 2088Cb 0.50 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1pe1 h ALA 2088CO 0.00 -0.80 0.12 1.49 0.00 0.00 0.00 179.25 180.06 1pe1 h GLU 2089N -0.52 0.25 -0.35 0.00 4.81 -1.80 0.52 114.58 117.50 1pe1 h GLU 2089Ca -0.03 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.13 1pe1 h GLU 2089Cb 0.45 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1pe1 h GLU 2089CO 0.01 0.17 -0.03 -1.00 -0.73 0.00 0.00 179.01 177.43 1pe1 h PRO 2090N 0.26 0.55 -0.15 0.92 0.13 -1.76 -2.63 132.00 129.32 1pe1 h PRO 2090Ca 0.10 -0.13 -0.16 0.00 -0.87 0.00 0.00 66.00 64.94 1pe1 h PRO 2090Cb 0.02 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.07 1pe1 h PRO 2090CO -0.06 0.60 -0.58 0.28 -0.23 0.00 0.00 178.00 178.00 1pe1 h VAL 2091N 0.52 1.34 0.00 1.56 2.07 -1.18 -3.06 116.25 117.49 1pe1 h VAL 2091Ca 0.11 -1.87 0.00 0.00 0.82 0.00 0.00 66.70 65.76 1pe1 h VAL 2091Cb 0.38 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1pe1 h VAL 2091CO 0.02 0.57 0.03 0.00 0.02 0.00 0.00 177.57 178.20 1pe1 h ALA 2092N 1.00 1.02 -0.20 1.67 0.00 -0.50 -0.33 119.26 121.92 1pe1 h ALA 2092Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1pe1 h ALA 2092Cb 1.12 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1pe1 h ALA 2092CO 0.11 -0.02 -0.12 0.93 0.00 0.00 0.00 179.25 180.14 1pe1 h GLU 2093N 0.00 0.32 0.00 0.00 4.39 -1.55 -3.31 114.58 114.43 1pe1 h GLU 2093Ca 0.00 -0.08 -0.12 0.00 0.34 0.00 0.00 59.36 59.50 1pe1 h GLU 2093Cb 0.05 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 1pe1 h GLU 2093CO 0.00 0.45 -1.49 0.28 -1.16 0.00 0.00 179.01 177.08 1pe1 n VAL 2094N -4.25 0.45 -2.92 3.13 0.31 -0.94 -5.02 118.33 109.09 1pe1 n VAL 2094Ca -0.00 -0.30 -0.41 0.00 -0.01 0.00 0.00 64.34 63.61 1pe1 n VAL 2094Cb 0.28 -0.67 -0.04 0.00 -0.91 0.00 0.00 33.84 32.50 1pe1 n VAL 2094CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pe1 s ALA 2095N -2.22 3.57 0.21 3.52 0.00 -0.18 -4.50 121.76 122.16 1pe1 s ALA 2095Ca -0.04 -0.08 0.09 0.00 0.00 0.00 0.00 51.96 51.94 1pe1 s ALA 2095Cb 0.03 -3.21 0.13 0.00 0.00 0.00 0.00 23.12 20.06 1pe1 s ALA 2095CO 0.31 -0.74 1.48 -0.44 0.00 0.00 0.00 175.76 176.36 1pe1 h ASP 2096N 7.49 0.00 -3.34 0.00 3.32 -1.23 -3.43 116.42 119.23 1pe1 h ASP 2096Ca -0.27 -0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.24 1pe1 h ASP 2096Cb 1.12 -0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.32 1pe1 h ASP 2096CO 0.84 0.77 -0.82 -0.63 -1.72 0.00 0.00 179.24 177.69 1pe1 s ILE 2097N -3.25 1.23 -0.23 0.35 1.01 -0.93 -2.22 121.20 117.16 1pe1 s ILE 2097Ca -0.00 -0.50 -0.11 0.00 0.00 0.00 0.00 60.65 60.04 1pe1 s ILE 2097Cb 0.12 -1.14 -0.05 0.00 0.01 0.00 0.00 42.46 41.40 1pe1 s ILE 2097CO 0.79 0.38 0.16 -0.63 0.00 0.00 0.00 174.94 175.64 1pe1 s ILE 2098N 0.91 5.37 -0.10 2.92 1.01 0.11 -3.30 121.20 128.12 1pe1 s ILE 2098Ca -0.09 0.19 -0.13 0.00 0.00 0.00 0.00 60.65 60.62 1pe1 s ILE 2098Cb -0.15 -3.50 -0.05 0.00 0.01 0.00 0.00 42.46 38.77 1pe1 s ILE 2098CO 0.01 0.36 0.31 -1.58 0.00 0.00 0.00 174.94 174.03 1pe1 s GLN 2099N 0.94 4.02 -0.24 2.79 0.74 -0.07 -0.66 119.66 127.17 1pe1 s GLN 2099Ca 0.08 0.17 -0.07 0.00 0.05 0.00 0.00 55.36 55.58 1pe1 s GLN 2099Cb -0.13 -3.32 -0.03 0.00 1.10 0.00 0.00 33.01 30.62 1pe1 s GLN 2099CO 0.03 0.46 0.07 0.42 -0.55 0.00 0.00 175.29 175.73 1pe1 s ILE 2100N -0.24 4.41 0.68 -2.34 -1.09 0.30 -1.94 121.20 120.98 1pe1 s ILE 2100Ca 0.19 -0.14 -0.17 0.00 -2.23 0.00 0.00 60.65 58.30 1pe1 s ILE 2100Cb -0.14 -3.05 -0.00 0.00 -1.58 0.00 0.00 42.46 37.68 1pe1 s ILE 2100CO 0.07 0.35 1.07 -2.65 -1.23 0.00 0.00 174.94 172.55 1pe1 n PRO 2101N 4.75 0.72 -0.21 2.79 -0.02 -1.26 -1.02 135.00 140.76 1pe1 n PRO 2101Ca -0.16 0.30 -0.08 0.00 -2.02 0.00 0.00 63.50 61.54 1pe1 n PRO 2101Cb 0.52 -2.31 0.03 0.00 -0.02 0.00 0.00 33.50 31.72 1pe1 n PRO 2101CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pe1 h ALA 2102N 0.06 0.76 0.00 3.55 0.00 -1.89 -1.37 119.26 120.36 1pe1 h ALA 2102Ca -0.48 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1pe1 h ALA 2102Cb 1.34 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1pe1 h ALA 2102CO 0.49 0.38 0.00 0.74 0.00 0.00 0.00 179.25 180.87 1pe1 h PHE 2103N 0.80 0.00 -0.45 0.00 0.04 -1.91 -2.83 116.94 112.59 1pe1 h PHE 2103Ca 0.19 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.96 1pe1 h PHE 2103Cb 0.22 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.37 1pe1 h PHE 2103CO 0.01 0.00 0.00 1.28 -0.60 0.00 0.00 178.31 179.00 1pe1 n LEU 2104N -2.54 3.68 0.10 1.54 4.77 -0.54 -4.64 117.00 119.37 1pe1 n LEU 2104Ca -0.00 -2.31 0.09 0.00 -0.03 0.00 0.00 56.01 53.75 1pe1 n LEU 2104Cb 0.15 -0.41 0.42 0.00 -2.33 0.00 0.00 43.42 41.25 1pe1 n LEU 2104CO 0.18 0.77 0.77 0.00 -1.33 0.00 0.00 177.39 177.77 1pe1 n ARG 2106N -2.02 2.33 -2.63 0.00 1.74 -1.26 -4.91 116.66 109.91 1pe1 n ARG 2106Ca 0.01 -1.85 -0.42 0.00 -0.77 0.00 0.00 57.85 54.83 1pe1 n ARG 2106Cb 0.11 -1.26 -0.03 0.00 -1.02 0.00 0.00 32.46 30.26 1pe1 n ARG 2106CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1pe1 s GLN 2107N -0.98 3.30 0.20 5.56 -1.52 -0.56 -4.90 119.66 120.75 1pe1 s GLN 2107Ca 0.21 -0.65 -0.20 0.00 -1.95 0.00 0.00 55.36 52.77 1pe1 s GLN 2107Cb 0.11 -4.52 0.16 0.00 -0.22 0.00 0.00 33.01 28.54 1pe1 s GLN 2107CO 0.15 -2.08 1.58 1.15 -0.25 0.00 0.00 175.29 175.84 1pe1 h THR 2108N 6.20 0.15 -0.53 -0.19 2.02 -1.91 -2.19 112.91 116.46 1pe1 h THR 2108Ca -0.14 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.07 1pe1 h THR 2108Cb 1.04 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 1pe1 h THR 2108CO 1.29 0.00 0.35 0.44 0.37 0.00 0.00 175.52 177.97 1pe1 h ASP 2109N -0.12 0.53 -0.41 4.18 3.32 -1.99 -0.96 116.42 120.96 1pe1 h ASP 2109Ca 0.26 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.20 1pe1 h ASP 2109Cb 0.56 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1pe1 h ASP 2109CO -0.74 0.37 -0.16 0.25 -1.72 0.00 0.00 179.24 177.24 1pe1 h LEU 2110N 0.62 0.86 -0.44 1.55 5.85 -1.79 0.14 115.31 122.10 1pe1 h LEU 2110Ca 0.21 -0.39 -0.06 0.00 0.84 0.00 0.00 57.88 58.48 1pe1 h LEU 2110Cb 0.08 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1pe1 h LEU 2110CO -0.05 1.05 0.04 -0.07 -0.34 0.00 0.00 178.44 179.07 1pe1 h LEU 2111N 0.66 0.72 -0.53 2.25 3.38 -1.09 -1.31 115.31 119.39 1pe1 h LEU 2111Ca 0.10 -0.28 -0.13 0.00 0.09 0.00 0.00 57.88 57.65 1pe1 h LEU 2111Cb 0.71 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1pe1 h LEU 2111CO 0.05 0.83 -0.25 -0.07 0.09 0.00 0.00 178.44 179.09 1pe1 h LEU 2112N 0.60 0.95 -0.72 1.67 3.38 -1.07 0.48 115.31 120.60 1pe1 h LEU 2112Ca 0.13 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 1pe1 h LEU 2112Cb 0.43 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1pe1 h LEU 2112CO 0.02 1.15 0.35 0.00 0.09 0.00 0.00 178.44 180.04 1pe1 h ALA 2113N 0.92 0.93 -0.13 1.53 0.00 -0.64 -0.08 119.26 121.80 1pe1 h ALA 2113Ca 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1pe1 h ALA 2113Cb 0.81 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1pe1 h ALA 2113CO 0.07 0.49 0.02 0.00 0.00 0.00 0.00 179.25 179.83 1pe1 h ALA 2114N 1.17 0.17 -0.90 0.00 0.00 -1.05 -3.14 119.26 115.51 1pe1 h ALA 2114Ca 0.25 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1pe1 h ALA 2114Cb 0.12 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1pe1 h ALA 2114CO -0.03 -0.17 0.59 0.00 0.00 0.00 0.00 179.25 179.64 1pe1 h ALA 2115N 0.79 1.14 -0.05 0.00 0.00 -0.53 -2.58 119.26 118.04 1pe1 h ALA 2115Ca 0.04 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1pe1 h ALA 2115Cb 0.30 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1pe1 h ALA 2115CO 0.00 0.53 0.06 -0.22 0.00 0.00 0.00 179.25 179.62 1pe1 h LYS 2116N 1.21 0.00 0.00 0.00 3.64 -0.97 -2.40 116.57 118.05 1pe1 h LYS 2116Ca 0.33 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1pe1 h LYS 2116Cb -0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1pe1 h LYS 2116CO -0.08 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.35 1pe1 n THR 2117N -3.75 1.02 0.00 1.00 -2.24 -0.97 -4.87 114.28 104.47 1pe1 n THR 2117Ca -0.02 0.25 0.00 0.00 -2.27 0.00 0.00 64.05 62.02 1pe1 n THR 2117Cb 0.15 -1.04 0.00 0.00 -2.10 0.00 0.00 70.33 67.34 1pe1 n THR 2117CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pe1 n GLY 2118N -0.22 2.85 3.86 3.38 0.00 -0.90 -5.02 105.19 109.14 1pe1 n GLY 2118Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1pe1 n GLY 2118CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pe1 s ARG 2119N -0.06 1.86 0.52 1.61 1.81 -1.26 -4.91 118.95 118.52 1pe1 s ARG 2119Ca 0.00 0.26 -0.18 0.00 -1.72 0.00 0.00 55.73 54.09 1pe1 s ARG 2119Cb 0.00 -1.92 -0.07 0.00 -0.45 0.00 0.00 34.95 32.51 1pe1 s ARG 2119CO 0.00 -1.70 1.03 0.00 -0.68 0.00 0.00 175.30 173.95 1pe1 s ALA 2120N -3.42 2.87 -0.06 2.13 0.00 -0.94 -4.72 121.76 117.60 1pe1 s ALA 2120Ca 0.62 0.46 0.03 0.00 0.00 0.00 0.00 51.96 53.07 1pe1 s ALA 2120Cb -0.12 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.78 1pe1 s ALA 2120CO 0.51 -0.44 -0.15 0.08 0.00 0.00 0.00 175.76 175.76 1pe1 s VAL 2121N -2.24 1.36 -0.24 0.00 1.01 -0.77 0.10 120.40 119.61 1pe1 s VAL 2121Ca 0.64 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 1pe1 s VAL 2121Cb -0.15 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.06 1pe1 s VAL 2121CO 0.27 0.40 -0.07 0.21 0.00 0.00 0.00 175.10 175.91 1pe1 s ASN 2122N 0.42 4.27 -0.26 3.32 3.04 0.16 -1.01 114.94 124.89 1pe1 s ASN 2122Ca -0.12 -0.85 -0.10 0.00 0.04 0.00 0.00 52.86 51.83 1pe1 s ASN 2122Cb -0.15 -1.66 -0.04 0.00 -1.54 0.00 0.00 41.25 37.86 1pe1 s ASN 2122CO 0.04 -0.12 0.15 -0.69 -3.04 0.00 0.00 177.10 173.44 1pe1 s VAL 2123N 1.33 5.06 0.06 -5.21 1.01 0.14 -0.54 120.40 122.24 1pe1 s VAL 2123Ca 0.00 0.08 -0.31 0.00 0.00 0.00 0.00 61.98 61.76 1pe1 s VAL 2123Cb -0.16 -3.38 -0.07 0.00 0.00 0.00 0.00 36.38 32.76 1pe1 s VAL 2123CO -0.05 0.30 1.44 -0.54 0.00 0.00 0.00 175.10 176.26 1pe1 s LYS 2124N 1.52 4.28 0.04 2.72 -0.14 -0.18 -1.51 119.74 126.47 1pe1 s LYS 2124Ca 0.07 2.08 -0.30 0.00 -1.36 0.00 0.00 55.97 56.45 1pe1 s LYS 2124Cb -0.15 -3.44 -0.07 0.00 -1.68 0.00 0.00 37.83 32.49 1pe1 s LYS 2124CO 0.08 -0.55 1.48 0.21 -0.76 0.00 0.00 175.35 175.81 1pe1 s LYS 2125N 1.91 4.26 0.52 1.68 2.20 0.25 -4.06 119.74 126.49 1pe1 s LYS 2125Ca 0.66 2.10 -0.22 0.00 -0.36 0.00 0.00 55.97 58.15 1pe1 s LYS 2125Cb -0.35 -3.53 -0.06 0.00 -1.51 0.00 0.00 37.83 32.38 1pe1 s LYS 2125CO 0.29 -0.61 1.32 0.41 -0.36 0.00 0.00 175.35 176.40 1pe1 n GLY 2126N 3.74 0.67 0.22 5.54 0.00 -1.25 -4.59 105.19 109.52 1pe1 n GLY 2126Ca 0.14 0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.36 1pe1 n GLY 2126CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1pe1 h GLN 2127N 1.55 0.00 0.00 1.61 7.50 -1.82 -1.53 115.11 122.42 1pe1 h GLN 2127Ca -0.50 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.65 1pe1 h GLN 2127Cb 1.30 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.83 1pe1 h GLN 2127CO 0.57 0.00 -0.93 1.97 -1.50 0.00 0.00 178.83 178.94 1pe1 n PHE 2128N -2.49 0.00 -3.15 2.96 1.16 -1.26 -1.12 117.46 113.56 1pe1 n PHE 2128Ca -0.02 0.00 -0.39 0.00 -1.87 0.00 0.00 57.45 55.17 1pe1 n PHE 2128Cb 0.07 -0.04 -0.05 0.00 -1.61 0.00 0.00 39.48 37.84 1pe1 n PHE 2128CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 1pe1 s LEU 2129N -3.01 4.28 0.49 5.98 2.96 -0.58 -5.06 118.68 123.74 1pe1 s LEU 2129Ca 0.08 1.01 -0.20 0.00 -0.22 0.00 0.00 54.13 54.80 1pe1 s LEU 2129Cb 0.16 -2.92 -0.08 0.00 0.50 0.00 0.00 46.19 43.85 1pe1 s LEU 2129CO 0.85 -0.10 1.04 0.00 -1.32 0.00 0.00 176.35 176.82 1pe1 s ALA 2130N 0.89 2.86 0.27 5.97 0.00 -1.26 -4.86 121.76 125.63 1pe1 s ALA 2130Ca 0.32 0.61 -0.01 0.00 0.00 0.00 0.00 51.96 52.88 1pe1 s ALA 2130Cb -0.17 -3.26 0.44 0.00 0.00 0.00 0.00 23.12 20.14 1pe1 s ALA 2130CO 0.14 -0.36 1.87 -1.35 0.00 0.00 0.00 175.76 176.07 1pe1 h PRO 2131N 1.49 1.11 0.00 0.00 0.11 -1.98 -1.28 132.00 131.45 1pe1 h PRO 2131Ca -0.49 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.54 1pe1 h PRO 2131Cb 1.22 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 1pe1 h PRO 2131CO 0.59 0.73 -0.06 0.11 -0.21 0.00 0.00 178.00 179.16 1pe1 h TRP 2132N 1.14 0.00 -0.07 0.65 0.09 -1.93 -1.85 115.95 113.97 1pe1 h TRP 2132Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.43 1pe1 h TRP 2132Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.47 1pe1 h TRP 2132CO -0.00 0.06 0.00 -0.25 0.09 0.00 0.00 178.44 178.34 1pe1 n ASP 2133N -3.24 0.58 0.01 0.11 8.00 -0.48 -2.98 116.55 118.55 1pe1 n ASP 2133Ca -0.00 -1.66 0.13 0.00 0.71 0.00 0.00 54.79 53.96 1pe1 n ASP 2133Cb 0.29 -0.05 0.40 0.00 -0.02 0.00 0.00 41.12 41.74 1pe1 n ASP 2133CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1pe1 n THR 2134N -0.34 0.07 -0.32 -3.53 -2.24 -0.70 -3.84 114.28 103.39 1pe1 n THR 2134Ca 0.11 -0.04 -0.03 0.00 -2.27 0.00 0.00 64.05 61.83 1pe1 n THR 2134Cb 0.14 -0.13 0.10 0.00 -2.10 0.00 0.00 70.33 68.33 1pe1 n THR 2134CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1pe1 h LYS 2135N 0.00 1.10 0.00 -0.78 3.64 -1.74 -1.62 116.57 117.18 1pe1 h LYS 2135Ca 0.00 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.25 1pe1 h LYS 2135Cb 0.54 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1pe1 h LYS 2135CO 0.00 0.73 -0.31 -0.91 -2.27 0.00 0.00 179.45 176.69 1pe1 h ASN 2136N 1.13 0.00 -0.22 4.20 -0.26 -1.82 -1.12 115.58 117.49 1pe1 h ASN 2136Ca 0.33 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 56.04 1pe1 h ASN 2136Cb -0.08 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.18 1pe1 h ASN 2136CO -0.09 0.31 0.01 0.58 -1.06 0.00 0.00 177.43 177.19 1pe1 h VAL 2137N 0.00 1.24 -0.69 2.81 2.07 -1.48 -1.55 116.25 118.65 1pe1 h VAL 2137Ca -0.00 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.66 1pe1 h VAL 2137Cb 0.66 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 1pe1 h VAL 2137CO 0.04 0.26 0.32 0.58 0.02 0.00 0.00 177.57 178.79 1pe1 h VAL 2138N 0.15 1.23 -0.59 2.57 2.07 -1.00 -2.46 116.25 118.22 1pe1 h VAL 2138Ca 0.06 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.90 1pe1 h VAL 2138Cb 0.37 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1pe1 h VAL 2138CO 0.01 0.28 0.29 -0.08 0.02 0.00 0.00 177.57 178.09 1pe1 h GLU 2139N 0.96 0.83 -0.50 1.57 4.81 -0.99 -0.10 114.58 121.16 1pe1 h GLU 2139Ca 0.24 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1pe1 h GLU 2139Cb 0.14 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 1pe1 h GLU 2139CO -0.03 0.63 0.26 0.87 -0.73 0.00 0.00 179.01 180.02 1pe1 h LYS 2140N 0.83 0.70 -0.48 1.92 1.57 -0.85 -1.19 116.57 119.08 1pe1 h LYS 2140Ca 0.21 -0.09 -0.11 0.00 -1.87 0.00 0.00 60.65 58.79 1pe1 h LYS 2140Cb 0.07 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1pe1 h LYS 2140CO -0.03 0.56 -0.14 -0.07 -0.57 0.00 0.00 179.45 179.20 1pe1 h LEU 2141N 0.66 0.90 -0.44 2.94 3.38 -0.95 -1.18 115.31 120.63 1pe1 h LEU 2141Ca 0.17 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1pe1 h LEU 2141Cb 0.07 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1pe1 h LEU 2141CO -0.03 1.04 0.17 0.11 0.09 0.00 0.00 178.44 179.82 1pe1 h LYS 2142N 0.80 0.66 -0.63 1.13 1.57 -0.85 -1.50 116.57 117.75 1pe1 h LYS 2142Ca 0.12 -0.13 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 1pe1 h LYS 2142Cb 0.67 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.84 1pe1 h LYS 2142CO 0.05 0.62 0.42 0.35 -0.57 0.00 0.00 179.45 180.32 1pe1 h PHE 2143N 0.57 0.60 -0.01 -1.35 3.57 -1.00 -0.65 116.94 118.67 1pe1 h PHE 2143Ca 0.15 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1pe1 h PHE 2143Cb 0.21 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.75 1pe1 h PHE 2143CO 0.00 0.31 0.00 0.41 -2.23 0.00 0.00 178.31 176.81 1pe1 n GLY 2144N -1.48 -0.90 0.39 2.40 0.00 -0.46 -4.91 105.19 100.23 1pe1 n GLY 2144Ca 0.09 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1pe1 n GLY 2144CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pe1 n GLY 2145N 0.94 0.58 3.76 -0.02 0.00 -0.25 -3.52 105.19 106.68 1pe1 n GLY 2145Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 1pe1 n GLY 2145CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pe1 s ALA 2146N -2.25 3.43 0.00 4.61 0.00 -0.65 -4.91 121.76 121.98 1pe1 s ALA 2146Ca 0.00 0.98 0.00 0.00 0.00 0.00 0.00 51.96 52.94 1pe1 s ALA 2146Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1pe1 s ALA 2146CO 0.00 -0.27 0.00 1.63 0.00 0.00 0.00 175.76 177.12 1pe1 n LYS 2147N 1.16 0.85 -3.82 0.00 5.02 -1.26 -4.41 118.16 115.70 1pe1 n LYS 2147Ca -0.01 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.92 1pe1 n LYS 2147Cb 0.44 -1.00 -0.13 0.00 -0.02 0.00 0.00 35.03 34.33 1pe1 n LYS 2147CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1pe1 s GLU 2148N -2.00 2.28 -0.09 1.97 2.12 -1.26 -5.08 118.70 116.63 1pe1 s GLU 2148Ca 0.00 -1.49 0.04 0.00 0.36 0.00 0.00 54.97 53.88 1pe1 s GLU 2148Cb 0.00 -3.41 -0.01 0.00 0.26 0.00 0.00 34.13 30.98 1pe1 s GLU 2148CO 0.00 -0.83 -0.22 0.42 -0.54 0.00 0.00 175.26 174.09 1pe1 s ILE 2149N 1.23 2.22 0.12 -3.70 1.01 -1.26 -1.85 121.20 118.98 1pe1 s ILE 2149Ca 0.01 -0.97 0.10 0.00 0.00 0.00 0.00 60.65 59.79 1pe1 s ILE 2149Cb -0.21 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 1pe1 s ILE 2149CO -0.02 0.56 -0.26 -0.31 0.00 0.00 0.00 174.94 174.91 1pe1 s TYR 2150N 0.19 2.22 -0.07 3.97 1.51 -0.18 -2.88 117.35 122.10 1pe1 s TYR 2150Ca -0.13 -0.39 0.04 0.00 -1.01 0.00 0.00 57.07 55.58 1pe1 s TYR 2150Cb -0.16 -1.20 0.00 0.00 -0.11 0.00 0.00 41.96 40.49 1pe1 s TYR 2150CO 0.07 0.31 -0.18 -0.51 -1.11 0.00 0.00 175.55 174.13 1pe1 s LEU 2151N -2.02 1.90 -0.17 -1.29 1.43 -0.23 -0.69 118.68 117.61 1pe1 s LEU 2151Ca 0.13 -0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 52.79 1pe1 s LEU 2151Cb -0.10 -1.11 -0.01 0.00 0.03 0.00 0.00 46.19 45.00 1pe1 s LEU 2151CO 0.06 0.12 -0.09 -0.89 0.23 0.00 0.00 176.35 175.78 1pe1 s THR 2152N 0.35 3.25 -0.11 5.49 2.01 -0.57 -0.99 115.64 125.08 1pe1 s THR 2152Ca -0.13 -0.57 -0.30 0.00 0.31 0.00 0.00 61.69 61.01 1pe1 s THR 2152Cb -0.15 -2.42 -0.01 0.00 0.01 0.00 0.00 72.50 69.92 1pe1 s THR 2152CO 0.05 0.48 1.02 -0.70 -0.69 0.00 0.00 174.62 174.78 1pe1 s GLU 2153N 0.81 4.42 -0.02 4.92 2.56 0.11 -0.59 118.70 130.91 1pe1 s GLU 2153Ca -0.03 1.41 0.04 0.00 0.00 0.00 0.00 54.97 56.39 1pe1 s GLU 2153Cb -0.15 -3.55 0.07 0.00 2.00 0.00 0.00 34.13 32.51 1pe1 s GLU 2153CO 0.01 -0.33 1.03 2.89 -0.56 0.00 0.00 175.26 178.30 1pe1 n ARG 2154N 5.05 0.14 0.00 4.30 -4.01 -1.26 -0.81 116.66 120.07 1pe1 n ARG 2154Ca 0.09 -1.27 0.00 0.00 -1.04 0.00 0.00 57.85 55.63 1pe1 n ARG 2154Cb 0.49 -0.57 0.00 0.00 -3.04 0.00 0.00 32.46 29.34 1pe1 n ARG 2154CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1pe1 n GLY 2155N -0.11 1.76 3.11 2.89 0.00 -1.26 -3.87 105.19 107.70 1pe1 n GLY 2155Ca 0.02 -1.91 -0.18 0.00 0.00 0.00 0.00 46.02 43.95 1pe1 n GLY 2155CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pe1 s THR 2156N -2.70 0.92 -0.02 2.61 2.01 0.07 -4.32 115.64 114.21 1pe1 s THR 2156Ca 0.00 -0.94 -0.35 0.00 0.31 0.00 0.00 61.69 60.70 1pe1 s THR 2156Cb 0.00 -0.86 -0.14 0.00 0.01 0.00 0.00 72.50 71.52 1pe1 s THR 2156CO 0.00 -0.07 1.70 0.41 -0.69 0.00 0.00 174.62 175.97 1pe1 n THR 2157N 1.90 0.29 -3.66 -0.82 -1.04 -0.27 -1.26 114.28 109.41 1pe1 n THR 2157Ca -0.19 -0.05 -0.29 0.00 -2.04 0.00 0.00 64.05 61.48 1pe1 n THR 2157Cb 0.55 -1.53 -0.13 0.00 -1.82 0.00 0.00 70.33 67.40 1pe1 n THR 2157CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1pe1 s PHE 2158N 2.57 1.69 0.00 -1.42 5.36 -0.75 -4.84 117.98 120.59 1pe1 s PHE 2158Ca 0.88 -2.19 0.00 0.00 -0.96 0.00 0.00 56.93 54.66 1pe1 s PHE 2158Cb -0.78 -1.67 0.00 0.00 -0.34 0.00 0.00 43.02 40.23 1pe1 s PHE 2158CO 0.49 -0.80 0.00 0.41 -1.46 0.00 0.00 175.22 173.86 1pe1 n GLY 2159N 3.77 0.09 3.82 13.12 0.00 -1.26 -4.37 105.19 120.36 1pe1 n GLY 2159Ca 0.08 -1.00 -0.37 0.00 0.00 0.00 0.00 46.02 44.74 1pe1 n GLY 2159CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pe1 s TYR 2160N 0.00 3.71 -1.44 1.61 2.02 -1.26 -4.47 117.35 117.52 1pe1 s TYR 2160Ca 0.00 1.23 -0.09 0.00 -0.37 0.00 0.00 57.07 57.84 1pe1 s TYR 2160Cb 0.00 -2.48 0.05 0.00 -0.40 0.00 0.00 41.96 39.13 1pe1 s TYR 2160CO 0.00 0.49 0.71 0.09 -1.57 0.00 0.00 175.55 175.26 1pe1 n ASN 2161N 1.22 -4.97 -3.63 2.29 3.02 -1.26 -4.97 115.26 106.96 1pe1 n ASN 2161Ca -0.07 -0.47 -0.15 0.00 -0.03 0.00 0.00 54.58 53.86 1pe1 n ASN 2161Cb 0.51 -4.02 -0.07 0.00 -0.61 0.00 0.00 39.78 35.59 1pe1 n ASN 2161CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1pe1 s ASN 2162N -2.91 -0.54 0.06 6.41 3.04 -1.26 -4.19 114.94 115.55 1pe1 s ASN 2162Ca 0.45 0.77 0.07 0.00 0.04 0.00 0.00 52.86 54.20 1pe1 s ASN 2162Cb -0.22 0.76 -0.03 0.00 -1.54 0.00 0.00 41.25 40.22 1pe1 s ASN 2162CO 0.56 -0.41 -0.19 -0.76 -3.04 0.00 0.00 177.10 173.25 1pe1 s LEU 2163N -0.62 2.21 0.06 3.21 1.43 -1.26 -1.81 118.68 121.90 1pe1 s LEU 2163Ca -0.07 -0.56 0.09 0.00 -1.03 0.00 0.00 54.13 52.55 1pe1 s LEU 2163Cb -0.03 -0.86 -0.03 0.00 0.03 0.00 0.00 46.19 45.31 1pe1 s LEU 2163CO 0.05 0.10 -0.24 0.54 0.23 0.00 0.00 176.35 177.03 1pe1 s VAL 2164N -0.93 1.94 -0.36 -1.59 0.11 -0.39 -4.84 120.40 114.34 1pe1 s VAL 2164Ca 0.06 -1.36 -0.18 0.00 -2.93 0.00 0.00 61.98 57.56 1pe1 s VAL 2164Cb -0.09 -1.68 -0.00 0.00 -1.53 0.00 0.00 36.38 33.08 1pe1 s VAL 2164CO 0.02 0.25 0.53 -0.69 -3.33 0.00 0.00 175.10 171.88 1pe1 s VAL 2165N -0.85 5.00 -0.58 2.04 1.01 -1.26 -0.75 120.40 125.00 1pe1 s VAL 2165Ca 0.10 0.32 -0.21 0.00 0.00 0.00 0.00 61.98 62.19 1pe1 s VAL 2165Cb -0.10 -3.99 0.07 0.00 0.00 0.00 0.00 36.38 32.37 1pe1 s VAL 2165CO 0.02 -0.26 0.78 -0.62 0.00 0.00 0.00 175.10 175.02 1pe1 s ASP 2166N 1.78 6.21 0.07 3.32 -1.08 -1.26 -4.91 116.67 120.80 1pe1 s ASP 2166Ca 0.19 -1.03 0.13 0.00 -0.52 0.00 0.00 52.55 51.32 1pe1 s ASP 2166Cb -0.15 -2.34 0.56 0.00 -1.46 0.00 0.00 42.92 39.52 1pe1 s ASP 2166CO 0.14 -1.14 1.40 0.49 0.52 0.00 0.00 175.17 176.57 1pe1 n PHE 2167N 6.77 0.18 0.32 -5.34 3.01 -1.26 -1.34 117.46 119.80 1pe1 n PHE 2167Ca -0.06 0.08 0.20 0.00 1.01 0.00 0.00 57.45 58.68 1pe1 n PHE 2167Cb 0.45 -0.63 1.05 0.00 -0.01 0.00 0.00 39.48 40.34 1pe1 n PHE 2167CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1pe1 h ARG 2168N 0.00 0.00 0.00 -1.08 3.08 -2.03 -2.62 114.38 111.73 1pe1 h ARG 2168Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1pe1 h ARG 2168Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1pe1 h ARG 2168CO 0.00 0.01 -0.31 0.66 -1.07 0.00 0.00 179.97 179.27 1pe1 h SER 2169N 0.00 0.00 0.52 7.04 4.64 -1.63 -2.95 113.55 121.17 1pe1 h SER 2169Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1pe1 h SER 2169Cb 0.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 1pe1 h SER 2169CO 0.00 0.31 -0.41 -0.07 -0.87 0.00 0.00 176.83 175.79 1pe1 h LEU 2170N 0.00 -1.07 -1.29 5.97 4.07 -1.69 0.11 115.31 121.42 1pe1 h LEU 2170Ca -0.00 0.08 -0.06 0.00 0.08 0.00 0.00 57.88 57.97 1pe1 h LEU 2170Cb 0.58 0.34 -0.01 0.00 1.08 0.00 0.00 40.66 42.64 1pe1 h LEU 2170CO 0.04 -0.59 -0.22 1.55 -1.08 0.00 0.00 178.44 178.14 1pe1 h PRO 2171N -0.91 0.21 -0.01 1.13 0.13 -1.74 -2.40 132.00 128.41 1pe1 h PRO 2171Ca -0.06 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1pe1 h PRO 2171Cb 0.77 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.88 1pe1 h PRO 2171CO 0.00 0.43 -0.00 0.82 -0.23 0.00 0.00 178.00 179.02 1pe1 h ILE 2172N 0.19 1.28 0.00 -3.56 2.04 -1.34 -3.24 117.51 112.88 1pe1 h ILE 2172Ca 0.03 -0.83 -0.06 0.00 1.00 0.00 0.00 64.86 65.00 1pe1 h ILE 2172Cb 0.50 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 1pe1 h ILE 2172CO 0.03 0.22 -0.29 0.24 0.00 0.00 0.00 178.15 178.35 1pe1 h MET 2173N -0.31 0.00 0.00 2.37 2.86 -0.67 -2.56 114.93 116.62 1pe1 h MET 2173Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1pe1 h MET 2173Cb 0.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1pe1 h MET 2173CO 0.00 0.29 0.05 -0.22 1.06 0.00 0.00 176.91 178.09 1pe1 h LYS 2174N 0.00 0.00 0.00 1.72 1.63 -1.46 -1.05 116.57 117.41 1pe1 h LYS 2174Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1pe1 h LYS 2174Cb 0.52 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 1pe1 h LYS 2174CO 0.04 0.00 0.00 1.96 -3.45 0.00 0.00 179.45 178.00 1pe1 h GLN 2175N 0.00 0.00 0.00 1.90 4.20 -1.55 -3.32 115.11 116.34 1pe1 h GLN 2175Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1pe1 h GLN 2175Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1pe1 h GLN 2175CO 0.00 0.00 0.00 -2.67 -0.67 0.00 0.00 178.83 175.49 1pe1 n TRP 2176N -2.89 0.00 -3.81 2.96 2.14 -0.46 -5.11 117.44 110.26 1pe1 n TRP 2176Ca -0.01 0.00 -0.07 0.00 2.07 0.00 0.00 57.50 59.49 1pe1 n TRP 2176Cb 0.18 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.67 1pe1 n TRP 2176CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1pe1 s ALA 2177N -0.06 -1.30 0.38 -1.67 0.00 -0.83 -5.00 121.76 113.28 1pe1 s ALA 2177Ca 0.00 -0.20 -0.25 0.00 0.00 0.00 0.00 51.96 51.52 1pe1 s ALA 2177Cb 0.00 0.83 -0.09 0.00 0.00 0.00 0.00 23.12 23.86 1pe1 s ALA 2177CO 0.00 -1.02 1.05 0.15 0.00 0.00 0.00 175.76 175.94 1pe1 s LYS 2178N -3.84 4.23 -0.10 0.00 1.02 -1.14 -4.04 119.74 115.87 1pe1 s LYS 2178Ca 0.10 1.54 0.03 0.00 0.02 0.00 0.00 55.97 57.66 1pe1 s LYS 2178Cb -0.05 -2.62 -0.01 0.00 -0.52 0.00 0.00 37.83 34.63 1pe1 s LYS 2178CO 0.05 -0.09 -0.21 0.08 -0.92 0.00 0.00 175.35 174.26 1pe1 s VAL 2179N -1.60 2.36 -0.03 3.17 1.01 -1.26 -1.07 120.40 122.98 1pe1 s VAL 2179Ca 0.56 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.66 1pe1 s VAL 2179Cb -0.23 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 1pe1 s VAL 2179CO 0.29 0.55 -0.14 -0.63 0.00 0.00 0.00 175.10 175.17 1pe1 s ILE 2180N 0.19 3.06 -0.23 2.22 -1.09 -0.16 0.62 121.20 125.80 1pe1 s ILE 2180Ca -0.13 -0.81 -0.08 0.00 -2.23 0.00 0.00 60.65 57.41 1pe1 s ILE 2180Cb -0.16 -2.22 -0.03 0.00 -1.58 0.00 0.00 42.46 38.46 1pe1 s ILE 2180CO 0.07 0.53 0.08 -0.47 -1.23 0.00 0.00 174.94 173.92 1pe1 s TYR 2181N -0.79 3.13 -0.50 3.97 5.04 -0.12 -0.71 117.35 127.37 1pe1 s TYR 2181Ca 0.12 -0.26 -0.24 0.00 -2.44 0.00 0.00 57.07 54.26 1pe1 s TYR 2181Cb -0.11 -2.21 0.04 0.00 0.35 0.00 0.00 41.96 40.03 1pe1 s TYR 2181CO 0.02 -0.22 0.87 0.34 -1.34 0.00 0.00 175.55 175.22 1pe1 s ASP 2182N 1.33 6.38 0.36 4.32 -1.08 0.01 -0.36 116.67 127.62 1pe1 s ASP 2182Ca 0.05 -0.24 0.19 0.00 -0.52 0.00 0.00 52.55 52.03 1pe1 s ASP 2182Cb -0.15 -2.41 0.26 0.00 -1.46 0.00 0.00 42.92 39.16 1pe1 s ASP 2182CO 0.04 -1.08 1.55 0.00 0.52 0.00 0.00 175.17 176.19 1pe1 h ALA 2183N 9.15 0.83 0.05 3.66 0.00 -1.55 -3.17 119.26 128.24 1pe1 h ALA 2183Ca -0.25 -0.25 -0.38 0.00 0.00 0.00 0.00 54.91 54.03 1pe1 h ALA 2183Cb 1.08 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1pe1 h ALA 2183CO 1.03 0.34 -2.27 0.25 0.00 0.00 0.00 179.25 178.61 1pe1 n THR 2184N -3.18 1.61 0.36 0.00 -2.24 -1.26 -4.33 114.28 105.25 1pe1 n THR 2184Ca 0.03 -0.62 0.13 0.00 -2.27 0.00 0.00 64.05 61.31 1pe1 n THR 2184Cb 0.62 -1.51 0.28 0.00 -2.10 0.00 0.00 70.33 67.62 1pe1 n THR 2184CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1pe1 h HIS 2185N 0.03 0.00 0.00 4.78 3.86 -1.90 -3.25 115.15 118.67 1pe1 h HIS 2185Ca -0.51 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.70 1pe1 h HIS 2185Cb 1.97 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.44 1pe1 h HIS 2185CO 0.05 0.00 -0.02 0.77 0.86 0.00 0.00 177.93 179.59 1pe1 h SER 2186N 0.00 0.00 -0.22 2.45 0.02 -1.66 -2.66 113.55 111.48 1pe1 h SER 2186Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1pe1 h SER 2186Cb 0.88 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.42 1pe1 h SER 2186CO 0.00 0.02 0.00 1.33 -1.14 0.00 0.00 176.83 177.04 1pe1 n VAL 2187N -3.14 0.59 -2.33 2.27 0.24 -1.22 -4.72 118.33 110.02 1pe1 n VAL 2187Ca -0.01 -0.79 -0.33 0.00 -2.04 0.00 0.00 64.34 61.17 1pe1 n VAL 2187Cb 0.24 0.81 -0.02 0.00 -1.47 0.00 0.00 33.84 33.39 1pe1 n VAL 2187CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pe1 s GLN 2188N -0.99 3.70 -0.40 7.34 -2.07 -1.01 -1.62 119.66 124.62 1pe1 s GLN 2188Ca 0.20 1.14 -0.11 0.00 -1.82 0.00 0.00 55.36 54.77 1pe1 s GLN 2188Cb 0.12 -2.09 0.05 0.00 -1.09 0.00 0.00 33.01 29.99 1pe1 s GLN 2188CO 0.16 -0.49 0.24 -0.51 -1.32 0.00 0.00 175.29 173.37 1pe1 s LEU 2189N -4.05 4.95 0.58 2.60 1.43 -1.26 -4.26 118.68 118.67 1pe1 s LEU 2189Ca 0.62 -1.21 -0.20 0.00 -1.03 0.00 0.00 54.13 52.32 1pe1 s LEU 2189Cb -0.13 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 1pe1 s LEU 2189CO 0.30 -0.46 1.26 -2.84 0.23 0.00 0.00 176.35 174.84 1pe1 s PRO 2190N 1.51 2.98 -0.43 1.29 0.02 -1.26 -4.62 135.00 134.49 1pe1 s PRO 2190Ca 0.02 1.98 0.00 0.00 0.02 0.00 0.00 61.00 63.02 1pe1 s PRO 2190Cb -0.21 -2.03 0.00 0.00 0.02 0.00 0.00 34.50 32.28 1pe1 s PRO 2190CO 0.05 -1.24 0.00 0.41 -0.33 0.00 0.00 177.00 175.89 1pe1 n GLY 2191N 0.65 0.45 0.00 0.52 0.00 -1.26 -4.30 105.19 101.25 1pe1 n GLY 2191Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1pe1 n GLY 2191CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pe1 n GLY 2199N 0.18 4.36 2.83 -0.02 0.00 -1.26 -5.06 105.19 106.21 1pe1 n GLY 2199Ca -0.04 -1.13 -0.29 0.00 0.00 0.00 0.00 46.02 44.55 1pe1 n GLY 2199CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pe1 s MET 2200N 1.10 1.09 0.37 1.61 -1.94 -0.64 -4.83 119.30 116.05 1pe1 s MET 2200Ca 0.00 -0.83 0.11 0.00 -1.71 0.00 0.00 55.69 53.26 1pe1 s MET 2200Cb 0.00 -2.33 0.89 0.00 2.01 0.00 0.00 34.83 35.40 1pe1 s MET 2200CO 0.00 -0.70 1.85 -0.09 -0.01 0.00 0.00 175.02 176.07 1pe1 h ARG 2201N 8.07 0.59 0.00 2.03 2.43 -1.89 -1.36 114.38 124.26 1pe1 h ARG 2201Ca -0.16 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1pe1 h ARG 2201Cb 1.08 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 1pe1 h ARG 2201CO 0.40 0.39 0.10 1.05 -1.51 0.00 0.00 179.97 180.40 1pe1 h GLU 2202N 0.61 0.00 -0.02 0.20 4.11 -1.94 -2.41 114.58 115.14 1pe1 h GLU 2202Ca 0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.90 1pe1 h GLU 2202Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1pe1 h GLU 2202CO -0.22 0.00 -0.40 1.19 0.07 0.00 0.00 179.01 179.65 1pe1 n PHE 2203N -2.59 0.00 0.15 2.06 3.72 -0.51 -4.58 117.46 115.71 1pe1 n PHE 2203Ca -0.02 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.24 1pe1 n PHE 2203Cb 0.14 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.62 1pe1 n PHE 2203CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1pe1 h ILE 2204N 2.50 0.48 -0.20 4.37 2.04 -1.54 -2.34 117.51 122.83 1pe1 h ILE 2204Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 1pe1 h ILE 2204Cb 0.73 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1pe1 h ILE 2204CO 0.00 0.00 -0.05 0.15 0.00 0.00 0.00 178.15 178.25 1pe1 h PHE 2205N -0.50 0.43 -0.61 1.37 -0.00 -1.81 -1.30 116.94 114.53 1pe1 h PHE 2205Ca 0.00 -0.09 0.06 0.00 -0.00 0.00 0.00 57.97 57.94 1pe1 h PHE 2205Cb 0.47 -0.11 -0.05 0.00 -0.00 0.00 0.00 35.95 36.27 1pe1 h PHE 2205CO -0.18 0.64 0.32 -1.35 -0.00 0.00 0.00 178.31 177.73 1pe1 h PRO 2206N 0.10 0.57 -0.01 6.41 0.11 -1.81 -0.97 132.00 136.41 1pe1 h PRO 2206Ca 0.05 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.98 1pe1 h PRO 2206Cb 0.50 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 1pe1 h PRO 2206CO 0.02 0.38 -0.65 -0.07 -0.21 0.00 0.00 178.00 177.47 1pe1 h LEU 2207N 0.59 0.06 -0.96 2.35 3.38 -1.27 -2.04 115.31 117.41 1pe1 h LEU 2207Ca 0.28 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 58.11 1pe1 h LEU 2207Cb 0.20 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1pe1 h LEU 2207CO -0.19 0.70 -0.35 -0.29 0.09 0.00 0.00 178.44 178.40 1pe1 h ILE 2208N 0.04 1.29 -0.67 1.22 2.10 -0.83 -0.90 117.51 119.75 1pe1 h ILE 2208Ca -0.01 -1.40 -0.05 0.00 1.08 0.00 0.00 64.86 64.49 1pe1 h ILE 2208Cb 1.16 1.55 -0.03 0.00 -1.09 0.00 0.00 36.82 38.41 1pe1 h ILE 2208CO 0.09 0.43 0.22 0.03 -1.08 0.00 0.00 178.15 177.84 1pe1 h ARG 2209N 0.28 1.03 -0.30 2.19 3.08 -0.72 -2.63 114.38 117.31 1pe1 h ARG 2209Ca 0.03 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1pe1 h ARG 2209Cb 0.75 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 1pe1 h ARG 2209CO 0.06 0.89 0.20 0.00 -1.07 0.00 0.00 179.97 180.04 1pe1 h ALA 2210N 1.09 0.38 -0.51 0.04 0.00 -0.93 -1.85 119.26 117.49 1pe1 h ALA 2210Ca 0.22 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.17 1pe1 h ALA 2210Cb 0.28 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 1pe1 h ALA 2210CO -0.01 -0.15 0.20 0.00 0.00 0.00 0.00 179.25 179.29 1pe1 h ALA 2211N 1.11 0.63 0.00 0.00 0.00 -0.91 0.49 119.26 120.58 1pe1 h ALA 2211Ca 0.11 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1pe1 h ALA 2211Cb -0.04 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1pe1 h ALA 2211CO -0.02 -0.18 -0.30 -0.39 0.00 0.00 0.00 179.25 178.36 1pe1 h VAL 2212N 0.39 0.60 -0.20 0.00 -1.51 -1.28 -0.61 116.25 113.64 1pe1 h VAL 2212Ca 0.24 -1.48 -0.16 0.00 -1.23 0.00 0.00 66.70 64.08 1pe1 h VAL 2212Cb 0.24 2.01 -0.01 0.00 -2.13 0.00 0.00 31.29 31.40 1pe1 h VAL 2212CO -0.23 0.29 -0.53 0.00 -1.23 0.00 0.00 177.57 175.87 1pe1 h ALA 2213N 1.70 0.70 -0.12 5.19 0.00 -0.47 -3.19 119.26 123.08 1pe1 h ALA 2213Ca -0.00 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 1pe1 h ALA 2213Cb 0.99 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1pe1 h ALA 2213CO 0.04 0.68 -0.18 0.28 0.00 0.00 0.00 179.25 180.07 1pe1 h VAL 2214N 0.45 1.37 0.00 0.00 2.07 -0.79 -3.47 116.25 115.88 1pe1 h VAL 2214Ca 0.01 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.12 1pe1 h VAL 2214Cb 1.07 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 1pe1 h VAL 2214CO 0.10 0.41 0.00 0.61 0.02 0.00 0.00 177.57 178.71 1pe1 n GLY 2215N 0.33 2.97 3.36 2.17 0.00 -0.25 -4.82 105.19 108.95 1pe1 n GLY 2215Ca -0.07 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 1pe1 n GLY 2215CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pe1 n ASP 2217N -0.56 1.58 -3.56 0.00 8.00 0.20 -4.99 116.55 117.23 1pe1 n ASP 2217Ca 0.01 -1.26 0.04 0.00 0.71 0.00 0.00 54.79 54.29 1pe1 n ASP 2217Cb 0.64 0.61 -0.00 0.00 -0.02 0.00 0.00 41.12 42.34 1pe1 n ASP 2217CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1pe1 s GLY 2218N -2.66 -0.49 0.09 0.44 0.00 -1.09 -1.55 107.32 102.07 1pe1 s GLY 2218Ca 0.15 1.03 0.07 0.00 0.00 0.00 0.00 44.72 45.97 1pe1 s GLY 2218CO 0.67 0.21 -0.18 0.14 0.00 0.00 0.00 173.10 173.93 1pe1 s VAL 2219N -2.02 1.49 -0.15 1.40 1.01 -0.25 -0.94 120.40 120.94 1pe1 s VAL 2219Ca 0.15 -1.48 0.01 0.00 0.00 0.00 0.00 61.98 60.66 1pe1 s VAL 2219Cb 0.07 -1.40 0.01 0.00 0.00 0.00 0.00 36.38 35.06 1pe1 s VAL 2219CO -0.07 -0.14 -0.19 0.12 0.00 0.00 0.00 175.10 174.82 1pe1 s PHE 2220N -1.28 2.72 -0.03 5.22 2.19 0.51 -1.29 117.98 126.03 1pe1 s PHE 2220Ca 0.04 -1.26 -0.01 0.00 0.33 0.00 0.00 56.93 56.03 1pe1 s PHE 2220Cb -0.10 -1.85 0.03 0.00 -1.31 0.00 0.00 43.02 39.79 1pe1 s PHE 2220CO 0.04 -0.58 0.05 -1.64 1.83 0.00 0.00 175.22 174.91 1pe1 s MET 2221N 0.86 -0.06 0.05 10.12 -1.94 0.41 -1.45 119.30 127.31 1pe1 s MET 2221Ca -0.05 0.29 -0.26 0.00 -1.71 0.00 0.00 55.69 53.96 1pe1 s MET 2221Cb -0.15 -0.38 -0.05 0.00 2.01 0.00 0.00 34.83 36.26 1pe1 s MET 2221CO -0.02 -0.25 0.80 -1.21 -0.01 0.00 0.00 175.02 174.33 1pe1 s GLU 2222N 1.63 4.53 0.02 2.03 2.02 -1.26 -2.82 118.70 124.84 1pe1 s GLU 2222Ca -0.02 1.14 -0.00 0.00 0.02 0.00 0.00 54.97 56.11 1pe1 s GLU 2222Cb -0.12 -3.37 -0.02 0.00 0.10 0.00 0.00 34.13 30.72 1pe1 s GLU 2222CO -0.03 0.26 -0.02 -0.08 0.02 0.00 0.00 175.26 175.41 1pe1 s THR 2223N 0.01 0.09 -0.18 3.63 -1.32 0.56 -0.44 115.64 117.99 1pe1 s THR 2223Ca 0.40 -0.74 -0.16 0.00 -1.21 0.00 0.00 61.69 59.99 1pe1 s THR 2223Cb -0.21 -0.22 0.05 0.00 -1.51 0.00 0.00 72.50 70.60 1pe1 s THR 2223CO 0.24 -0.40 0.47 -2.28 -2.21 0.00 0.00 174.62 170.43 1pe1 s HIS 2224N -1.19 -0.52 0.43 9.09 5.04 -0.39 -2.26 115.29 125.50 1pe1 s HIS 2224Ca -0.13 1.26 0.15 0.00 -1.54 0.00 0.00 55.06 54.80 1pe1 s HIS 2224Cb -0.08 0.18 1.05 0.00 0.04 0.00 0.00 32.58 33.77 1pe1 s HIS 2224CO -0.01 -0.25 1.94 -1.35 -2.34 0.00 0.00 174.74 172.73 1pe1 h PRO 2225N 5.47 0.39 -2.05 2.88 0.11 -1.94 -1.89 132.00 134.97 1pe1 h PRO 2225Ca -0.28 -0.02 -0.49 0.00 0.11 0.00 0.00 66.00 65.33 1pe1 h PRO 2225Cb 1.18 -0.09 -0.33 0.00 0.11 0.00 0.00 31.00 31.87 1pe1 h PRO 2225CO 0.21 0.26 -0.86 -1.21 -0.21 0.00 0.00 178.00 176.19 1pe1 s GLU 2226N -5.39 0.92 0.32 1.05 2.02 -1.26 -4.49 118.70 111.87 1pe1 s GLU 2226Ca -0.08 -1.82 0.09 0.00 0.02 0.00 0.00 54.97 53.18 1pe1 s GLU 2226Cb 0.20 -1.08 0.93 0.00 0.10 0.00 0.00 34.13 34.28 1pe1 s GLU 2226CO 0.76 -1.37 1.63 -1.35 0.02 0.00 0.00 175.26 174.96 1pe1 h PRO 2227N 5.57 0.19 -0.32 0.39 0.11 -1.85 -0.29 132.00 135.79 1pe1 h PRO 2227Ca 0.21 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.38 1pe1 h PRO 2227Cb 0.96 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.01 1pe1 h PRO 2227CO 0.28 0.12 0.23 1.05 -0.21 0.00 0.00 178.00 179.47 1pe1 h GLU 2228N 0.19 0.09 -0.01 1.05 4.11 -1.93 -0.65 114.58 117.43 1pe1 h GLU 2228Ca 0.66 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 60.08 1pe1 h GLU 2228Cb 1.46 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.69 1pe1 h GLU 2228CO -0.69 0.06 -0.17 1.63 0.07 0.00 0.00 179.01 179.91 1pe1 n LYS 2229N -4.46 1.31 -1.31 1.06 5.02 -0.13 -4.96 118.16 114.68 1pe1 n LYS 2229Ca 0.04 -0.85 -0.34 0.00 -2.02 0.00 0.00 58.31 55.14 1pe1 n LYS 2229Cb 0.33 -1.48 0.10 0.00 -0.02 0.00 0.00 35.03 33.96 1pe1 n LYS 2229CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pe1 s ALA 2230N -2.28 2.03 -2.48 7.82 0.00 -0.25 -4.92 121.76 121.68 1pe1 s ALA 2230Ca 0.29 0.79 0.26 0.00 0.00 0.00 0.00 51.96 53.30 1pe1 s ALA 2230Cb 0.20 -3.45 0.65 0.00 0.00 0.00 0.00 23.12 20.51 1pe1 s ALA 2230CO 0.44 -2.00 1.51 1.28 0.00 0.00 0.00 175.76 176.99 1pe1 n LEU 2231N -3.00 1.91 -3.60 0.00 4.77 -1.26 -4.62 117.00 111.20 1pe1 n LEU 2231Ca 0.13 -0.63 -0.16 0.00 -0.03 0.00 0.00 56.01 55.31 1pe1 n LEU 2231Cb 0.51 -0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.51 1pe1 n LEU 2231CO 0.48 0.33 0.31 -0.55 -1.33 0.00 0.00 177.39 176.62 1pe1 s SER 2232N -2.13 -0.52 -1.78 -1.43 0.15 -1.26 -4.52 113.70 102.21 1pe1 s SER 2232Ca 0.31 0.57 -0.21 0.00 0.70 0.00 0.00 55.95 57.32 1pe1 s SER 2232Cb 0.20 0.53 0.20 0.00 -1.71 0.00 0.00 66.02 65.23 1pe1 s SER 2232CO 0.38 -0.53 0.70 0.47 1.20 0.00 0.00 173.24 175.46 1pe1 n ASP 2233N 1.16 -2.67 -0.13 5.45 8.00 -1.26 -4.83 116.55 122.28 1pe1 n ASP 2233Ca -0.19 -1.11 0.05 0.00 0.71 0.00 0.00 54.79 54.24 1pe1 n ASP 2233Cb 0.57 -2.23 0.36 0.00 -0.02 0.00 0.00 41.12 39.79 1pe1 n ASP 2233CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pe1 h ALA 2234N 0.90 1.66 0.00 2.24 0.00 -1.82 -1.81 119.26 120.44 1pe1 h ALA 2234Ca -0.59 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 1pe1 h ALA 2234Cb 1.38 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1pe1 h ALA 2234CO 0.83 0.27 -0.03 0.77 0.00 0.00 0.00 179.25 181.09 1pe1 h SER 2235N 0.74 0.00 0.00 0.00 0.02 -1.88 -3.34 113.55 109.09 1pe1 h SER 2235Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1pe1 h SER 2235Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1pe1 h SER 2235CO -0.07 0.03 0.00 0.35 -1.14 0.00 0.00 176.83 176.00 1pe1 n THR 2236N -3.15 0.00 -2.04 -2.27 -2.24 -0.95 -4.10 114.28 99.52 1pe1 n THR 2236Ca 0.00 -0.41 -0.42 0.00 -2.27 0.00 0.00 64.05 60.96 1pe1 n THR 2236Cb 0.29 1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 69.55 1pe1 n THR 2236CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1pe1 s GLN 2237N -0.60 4.28 0.21 -0.78 -0.21 -0.72 -4.88 119.66 116.96 1pe1 s GLN 2237Ca 0.00 2.25 -0.30 0.00 0.02 0.00 0.00 55.36 57.33 1pe1 s GLN 2237Cb 0.00 -3.15 -0.08 0.00 1.00 0.00 0.00 33.01 30.78 1pe1 s GLN 2237CO 0.00 -0.44 1.17 -1.17 -2.12 0.00 0.00 175.29 172.73 1pe1 s LEU 2238N 0.18 4.47 0.24 2.90 2.96 0.42 -4.74 118.68 125.12 1pe1 s LEU 2238Ca 0.62 2.24 -0.31 0.00 -0.22 0.00 0.00 54.13 56.47 1pe1 s LEU 2238Cb -0.41 -3.61 -0.11 0.00 0.50 0.00 0.00 46.19 42.56 1pe1 s LEU 2238CO 0.38 -0.31 1.57 -2.84 -1.32 0.00 0.00 176.35 173.84 1pe1 s PRO 2239N -0.58 4.17 0.39 0.98 0.02 -1.26 -1.26 135.00 137.47 1pe1 s PRO 2239Ca 0.50 2.48 0.15 0.00 0.02 0.00 0.00 61.00 64.15 1pe1 s PRO 2239Cb -0.32 -3.08 1.02 0.00 0.02 0.00 0.00 34.50 32.14 1pe1 s PRO 2239CO 0.38 -0.60 1.82 1.25 -0.33 0.00 0.00 177.00 179.52 1pe1 h LEU 2240N 5.60 0.49 -1.29 -5.54 6.46 -1.56 -0.82 115.31 118.66 1pe1 h LEU 2240Ca -0.45 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.37 1pe1 h LEU 2240Cb 1.21 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 41.12 1pe1 h LEU 2240CO 0.84 0.17 0.00 0.77 -0.62 0.00 0.00 178.44 179.60 1pe1 h SER 2241N 0.48 0.00 0.40 1.25 4.64 -1.88 -2.56 113.55 115.88 1pe1 h SER 2241Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 1pe1 h SER 2241Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1pe1 h SER 2241CO -0.24 0.00 -0.61 0.00 -0.87 0.00 0.00 176.83 175.11 1pe1 n GLN 2242N -2.59 0.01 -0.12 4.77 6.02 -0.31 -4.44 117.38 120.72 1pe1 n GLN 2242Ca 0.01 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.91 1pe1 n GLN 2242Cb 0.21 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 29.96 1pe1 n GLN 2242CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1pe1 h LEU 2243N 0.00 0.44 -0.09 1.08 5.85 -1.52 -2.54 115.31 118.54 1pe1 h LEU 2243Ca 0.00 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.72 1pe1 h LEU 2243Cb 0.51 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1pe1 h LEU 2243CO 0.00 0.33 -0.03 -0.08 -0.34 0.00 0.00 178.44 178.32 1pe1 h GLU 2244N 0.51 -0.02 -0.80 1.25 4.81 -1.78 -0.68 114.58 117.88 1pe1 h GLU 2244Ca 0.14 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.44 1pe1 h GLU 2244Cb -0.05 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.27 1pe1 h GLU 2244CO -0.03 -0.01 0.47 0.78 -0.73 0.00 0.00 179.01 179.49 1pe1 h GLY 2245N -0.02 1.21 1.46 1.92 0.00 -1.81 -0.20 103.07 105.64 1pe1 h GLY 2245Ca 0.05 -0.32 -0.13 0.00 0.00 0.00 0.00 47.33 46.93 1pe1 h GLY 2245CO -0.10 0.18 -0.35 -2.22 0.00 0.00 0.00 176.54 174.05 1pe1 h ILE 2246N 0.83 1.29 -0.32 2.60 2.04 -1.03 -1.36 117.51 121.56 1pe1 h ILE 2246Ca 0.36 -1.49 -0.07 0.00 1.00 0.00 0.00 64.86 64.66 1pe1 h ILE 2246Cb 0.25 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 1pe1 h ILE 2246CO -0.21 0.48 -0.08 0.40 0.00 0.00 0.00 178.15 178.74 1pe1 h ILE 2247N 0.51 1.28 -0.67 -0.67 2.04 -0.40 -0.55 117.51 119.05 1pe1 h ILE 2247Ca 0.05 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.78 1pe1 h ILE 2247Cb 0.85 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 38.26 1pe1 h ILE 2247CO 0.07 0.36 0.42 -0.08 0.00 0.00 0.00 178.15 178.93 1pe1 h GLU 2248N 0.38 0.90 -0.30 2.37 4.57 -0.95 -1.61 114.58 119.95 1pe1 h GLU 2248Ca 0.08 -0.07 0.03 0.00 -1.18 0.00 0.00 59.36 58.22 1pe1 h GLU 2248Cb 0.58 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.94 1pe1 h GLU 2248CO 0.03 0.62 0.11 0.00 -1.18 0.00 0.00 179.01 178.59 1pe1 h ALA 2249N 1.22 0.34 0.00 2.92 0.00 -1.04 -1.49 119.26 121.20 1pe1 h ALA 2249Ca 0.24 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 1pe1 h ALA 2249Cb -0.06 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1pe1 h ALA 2249CO -0.05 -0.29 -0.37 -0.84 0.00 0.00 0.00 179.25 177.70 1pe1 h ILE 2250N 0.24 0.87 -0.31 0.00 3.07 -0.69 -1.39 117.51 119.29 1pe1 h ILE 2250Ca 0.13 -1.49 -0.16 0.00 1.55 0.00 0.00 64.86 64.89 1pe1 h ILE 2250Cb 0.09 1.91 -0.01 0.00 -0.27 0.00 0.00 36.82 38.55 1pe1 h ILE 2250CO -0.13 0.36 -0.43 -0.07 -1.05 0.00 0.00 178.15 176.83 1pe1 h LEU 2251N 0.00 0.85 -0.24 0.16 3.38 -1.04 0.34 115.31 118.76 1pe1 h LEU 2251Ca -0.00 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 1pe1 h LEU 2251Cb 0.88 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1pe1 h LEU 2251CO 0.05 1.16 0.04 -0.33 0.09 0.00 0.00 178.44 179.45 1pe1 h GLU 2252N 0.64 0.40 -0.39 1.13 5.08 -1.01 -0.32 114.58 120.11 1pe1 h GLU 2252Ca 0.04 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1pe1 h GLU 2252Cb 1.00 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 1pe1 h GLU 2252CO 0.10 0.52 0.07 0.82 -1.00 0.00 0.00 179.01 179.52 1pe1 h ILE 2253N 0.21 1.24 -0.78 3.13 2.04 -1.12 -2.84 117.51 119.39 1pe1 h ILE 2253Ca 0.07 -0.83 0.04 0.00 1.00 0.00 0.00 64.86 65.14 1pe1 h ILE 2253Cb 0.32 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 1pe1 h ILE 2253CO 0.00 0.28 0.49 -0.09 0.00 0.00 0.00 178.15 178.84 1pe1 h ARG 2254N 0.48 0.92 -0.45 2.37 2.43 -0.82 0.85 114.38 120.16 1pe1 h ARG 2254Ca 0.12 -0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.30 1pe1 h ARG 2254Cb 0.34 -0.21 -0.06 0.00 -0.42 0.00 0.00 29.97 29.63 1pe1 h ARG 2254CO 0.01 0.61 0.11 1.49 -1.51 0.00 0.00 179.97 180.68 1pe1 h GLU 2255N 0.95 0.25 -0.07 0.20 4.22 -0.82 0.17 114.58 119.47 1pe1 h GLU 2255Ca 0.32 -0.02 -0.13 0.00 0.08 0.00 0.00 59.36 59.61 1pe1 h GLU 2255Cb 0.05 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.25 1pe1 h GLU 2255CO -0.13 0.17 -0.48 0.28 -2.18 0.00 0.00 179.01 176.67 1pe1 h VAL 2256N 0.26 1.40 0.00 0.32 2.07 -1.28 -3.36 116.25 115.66 1pe1 h VAL 2256Ca 0.22 -1.87 -0.12 0.00 0.82 0.00 0.00 66.70 65.75 1pe1 h VAL 2256Cb 0.26 2.33 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 1pe1 h VAL 2256CO -0.26 0.55 -0.59 0.00 0.02 0.00 0.00 177.57 177.28 1pe1 h ALA 2257N 0.42 0.99 -0.27 1.67 0.00 -0.62 -3.26 119.26 118.18 1pe1 h ALA 2257Ca -0.04 -0.54 0.08 0.00 0.00 0.00 0.00 54.91 54.41 1pe1 h ALA 2257Cb 1.15 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1pe1 h ALA 2257CO 0.10 0.74 0.26 0.66 0.00 0.00 0.00 179.25 181.01 1pe1 h SER 2258N 0.00 0.00 -0.59 0.00 4.64 -0.81 0.22 113.55 117.01 1pe1 h SER 2258Ca -0.01 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.48 1pe1 h SER 2258Cb 1.07 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.14 1pe1 h SER 2258CO 0.08 0.00 0.42 0.50 -0.87 0.00 0.00 176.83 176.96 1pe1 h LYS 2259N 0.00 0.00 -0.02 4.77 3.64 -1.78 -2.62 116.57 120.55 1pe1 h LYS 2259Ca 0.13 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1pe1 h LYS 2259Cb 0.64 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1pe1 h LYS 2259CO -0.00 0.00 -0.10 0.66 -2.27 0.00 0.00 179.45 177.74 1pe1 n TYR 2260N -4.36 0.00 -1.73 1.91 4.02 0.78 -4.96 117.16 112.83 1pe1 n TYR 2260Ca 0.11 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.58 1pe1 n TYR 2260Cb 0.66 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.96 1pe1 n TYR 2260CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1pe1 n TYR 2261N 0.88 2.73 -2.59 -0.72 4.01 -0.99 -4.93 117.16 115.54 1pe1 n TYR 2261Ca 0.11 0.23 -0.35 0.00 -0.16 0.00 0.00 57.90 57.72 1pe1 n TYR 2261Cb 0.49 -2.60 -0.04 0.00 -0.31 0.00 0.00 39.34 36.88 1pe1 n TYR 2261CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1pe1 s GLU 2262N -0.06 4.09 -0.02 -0.72 8.01 -1.26 -4.97 118.70 123.77 1pe1 s GLU 2262Ca 0.68 1.41 -0.30 0.00 0.01 0.00 0.00 54.97 56.77 1pe1 s GLU 2262Cb -0.52 -2.38 -0.06 0.00 -4.31 0.00 0.00 34.13 26.85 1pe1 s GLU 2262CO 0.44 -0.19 1.58 0.99 0.01 0.00 0.00 175.26 178.09 1pe1 s THR 2263N -1.81 3.53 0.00 3.63 2.01 -1.26 -5.16 115.64 116.58 1pe1 s THR 2263Ca 0.61 0.79 0.00 0.00 0.31 0.00 0.00 61.69 63.40 1pe1 s THR 2263Cb -0.19 -3.51 0.00 0.00 0.01 0.00 0.00 72.50 68.81 1pe1 s THR 2263CO 0.23 -0.04 0.00 0.00 -0.69 0.00 0.00 174.62 174.12