#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fwt n PHE 2004N 0.00 2.12 -3.65 5.58 -0.00 -1.25 -4.64 117.46 115.61 1fwt n PHE 2004Ca 0.00 0.36 -0.37 0.00 -0.00 0.00 0.00 57.45 57.44 1fwt n PHE 2004Cb 0.00 -2.49 -0.06 0.00 -0.00 0.00 0.00 39.48 36.93 1fwt n PHE 2004CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 1fwt s LEU 2005N 0.69 4.37 -0.21 -2.13 2.96 -0.66 -0.88 118.68 122.82 1fwt s LEU 2005Ca 0.77 0.63 -0.01 0.00 -0.22 0.00 0.00 54.13 55.31 1fwt s LEU 2005Cb -0.72 -2.32 0.06 0.00 0.50 0.00 0.00 46.19 43.71 1fwt s LEU 2005CO 0.42 0.29 -0.01 -0.69 -1.32 0.00 0.00 176.35 175.04 1fwt s VAL 2006N -0.58 1.00 -0.30 1.68 1.01 -0.43 -0.63 120.40 122.15 1fwt s VAL 2006Ca 0.18 -0.85 -0.10 0.00 0.00 0.00 0.00 61.98 61.20 1fwt s VAL 2006Cb -0.14 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 1fwt s VAL 2006CO 0.07 -0.14 0.17 -0.63 0.00 0.00 0.00 175.10 174.56 1fwt s ILE 2007N 1.64 4.91 0.06 2.22 1.01 0.11 -1.08 121.20 130.09 1fwt s ILE 2007Ca -0.03 -0.15 -0.06 0.00 0.00 0.00 0.00 60.65 60.41 1fwt s ILE 2007Cb -0.18 -3.42 -0.01 0.00 0.01 0.00 0.00 42.46 38.86 1fwt s ILE 2007CO -0.07 0.16 0.11 0.00 0.00 0.00 0.00 174.94 175.14 1fwt s ALA 2008N 1.68 -0.02 0.00 9.38 0.00 -0.52 -0.01 121.76 132.27 1fwt s ALA 2008Ca 0.06 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.31 1fwt s ALA 2008Cb -0.16 0.35 0.00 0.00 0.00 0.00 0.00 23.12 23.31 1fwt s ALA 2008CO 0.08 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 175.84 1fwt n GLY 2009N 0.28 1.22 3.77 0.00 0.00 -1.12 -0.68 105.19 108.65 1fwt n GLY 2009Ca -0.16 -1.36 -0.39 0.00 0.00 0.00 0.00 46.02 44.10 1fwt n GLY 2009CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fwt s PRO 2010N -1.89 4.42 0.14 1.61 0.04 -1.01 -0.53 135.00 137.78 1fwt s PRO 2010Ca 0.00 1.84 -0.27 0.00 0.04 0.00 0.00 61.00 62.60 1fwt s PRO 2010Cb 0.00 -2.98 -0.02 0.00 0.04 0.00 0.00 34.50 31.54 1fwt s PRO 2010CO 0.00 -0.00 1.58 0.00 0.04 0.00 0.00 177.00 178.62 1fwt s ALA 2012N -5.88 2.76 -1.29 0.00 0.00 -1.26 -1.13 121.76 114.96 1fwt s ALA 2012Ca -0.15 -1.46 -0.17 0.00 0.00 0.00 0.00 51.96 50.18 1fwt s ALA 2012Cb 0.11 -0.62 0.09 0.00 0.00 0.00 0.00 23.12 22.70 1fwt s ALA 2012CO 0.65 0.51 1.71 -0.89 0.00 0.00 0.00 175.76 177.74 1fwt n ILE 2013N 0.37 3.99 0.28 0.00 5.41 -0.34 -4.72 119.36 124.35 1fwt n ILE 2013Ca -0.13 -4.18 0.17 0.00 1.00 0.00 0.00 62.75 59.61 1fwt n ILE 2013Cb 0.54 -2.38 0.79 0.00 -0.71 0.00 0.00 39.64 37.88 1fwt n ILE 2013CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1fwt h GLU 2014N 7.39 0.00 0.00 0.38 5.08 -1.96 -3.41 114.58 122.07 1fwt h GLU 2014Ca 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 1fwt h GLU 2014Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1fwt h GLU 2014CO 1.44 0.06 0.00 -1.13 -1.00 0.00 0.00 179.01 178.38 1fwt n SER 2015N -3.27 0.00 0.26 1.42 3.41 -1.26 -4.98 113.62 109.19 1fwt n SER 2015Ca -0.01 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.78 1fwt n SER 2015Cb 0.25 0.00 0.81 0.00 -0.26 0.00 0.00 64.21 65.00 1fwt n SER 2015CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1fwt h GLU 2016N 0.00 0.00 -0.19 4.33 4.11 -1.94 -1.40 114.58 119.50 1fwt h GLU 2016Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1fwt h GLU 2016Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1fwt h GLU 2016CO 0.00 0.00 0.06 1.49 0.07 0.00 0.00 179.01 180.63 1fwt h GLU 2017N 0.00 0.30 -0.56 1.06 4.81 -1.98 -0.95 114.58 117.25 1fwt h GLU 2017Ca 0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1fwt h GLU 2017Cb 0.28 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 1fwt h GLU 2017CO 0.00 0.41 0.36 1.25 -0.73 0.00 0.00 179.01 180.30 1fwt h LEU 2018N 0.13 0.66 -1.60 1.64 5.85 -1.65 -1.94 115.31 118.40 1fwt h LEU 2018Ca 0.06 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1fwt h LEU 2018Cb 0.24 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1fwt h LEU 2018CO -0.00 0.49 0.05 -0.07 -0.34 0.00 0.00 178.44 178.57 1fwt h LEU 2019N 0.76 0.27 -0.16 2.25 3.38 -1.21 -1.47 115.31 119.13 1fwt h LEU 2019Ca 0.20 -0.03 -0.23 0.00 0.09 0.00 0.00 57.88 57.92 1fwt h LEU 2019Cb -0.06 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.63 1fwt h LEU 2019CO -0.04 0.29 -0.81 -0.07 0.09 0.00 0.00 178.44 177.89 1fwt h LEU 2020N 0.30 0.89 -0.16 1.67 3.38 -0.59 0.16 115.31 120.96 1fwt h LEU 2020Ca 0.07 -0.60 -0.02 0.00 0.09 0.00 0.00 57.88 57.42 1fwt h LEU 2020Cb 0.13 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1fwt h LEU 2020CO -0.00 1.40 0.02 0.50 0.09 0.00 0.00 178.44 180.45 1fwt h LYS 2021N 0.49 0.27 -0.32 1.13 3.64 -0.97 -1.05 116.57 119.76 1fwt h LYS 2021Ca -0.06 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.13 1fwt h LYS 2021Cb 1.44 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.22 1fwt h LYS 2021CO 0.16 0.44 -0.29 0.28 -2.27 0.00 0.00 179.45 177.78 1fwt h VAL 2022N 0.05 1.28 -0.45 2.00 2.07 -1.32 -2.98 116.25 116.89 1fwt h VAL 2022Ca 0.05 -1.40 -0.03 0.00 0.82 0.00 0.00 66.70 66.14 1fwt h VAL 2022Cb 0.31 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1fwt h VAL 2022CO 0.00 0.45 0.14 1.23 0.02 0.00 0.00 177.57 179.41 1fwt h GLY 2023N 0.99 0.71 0.94 2.17 0.00 -0.44 -1.89 103.07 105.55 1fwt h GLY 2023Ca 0.07 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1fwt h GLY 2023CO 0.06 0.35 0.16 -2.09 0.00 0.00 0.00 176.54 175.03 1fwt h GLU 2024N 0.65 0.54 -0.51 4.80 4.81 -1.04 0.40 114.58 124.23 1fwt h GLU 2024Ca 0.15 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1fwt h GLU 2024Cb 0.20 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1fwt h GLU 2024CO -0.01 0.50 0.11 1.49 -0.73 0.00 0.00 179.01 180.37 1fwt h GLU 2025N 0.45 0.83 -0.23 1.92 4.57 -1.48 -0.74 114.58 119.90 1fwt h GLU 2025Ca 0.12 -0.21 -0.06 0.00 -1.18 0.00 0.00 59.36 58.03 1fwt h GLU 2025Cb 0.15 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 1fwt h GLU 2025CO -0.01 0.80 -0.13 0.82 -1.18 0.00 0.00 179.01 179.31 1fwt h ILE 2026N 0.72 1.21 -0.29 2.32 2.04 -1.12 -0.14 117.51 122.25 1fwt h ILE 2026Ca 0.16 -0.94 -0.07 0.00 1.00 0.00 0.00 64.86 65.01 1fwt h ILE 2026Cb 0.35 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 1fwt h ILE 2026CO 0.00 0.30 -0.08 0.50 0.00 0.00 0.00 178.15 178.87 1fwt h LYS 2027N 0.36 0.58 0.27 2.37 1.63 -0.56 0.45 116.57 121.66 1fwt h LYS 2027Ca 0.07 -0.23 0.00 0.00 -0.85 0.00 0.00 60.65 59.64 1fwt h LYS 2027Cb 0.45 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.03 1fwt h LYS 2027CO 0.03 0.78 -0.29 -0.09 -3.45 0.00 0.00 179.45 176.42 1fwt h ARG 2028N 0.34 -0.58 -0.77 1.90 2.43 -0.51 -0.94 114.38 116.24 1fwt h ARG 2028Ca 0.07 0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.36 1fwt h ARG 2028Cb 0.58 0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 30.21 1fwt h ARG 2028CO 0.03 -0.39 0.51 -0.07 -1.51 0.00 0.00 179.97 178.54 1fwt h LEU 2029N -0.60 0.70 -1.03 3.80 -0.00 -1.00 -0.44 115.31 116.74 1fwt h LEU 2029Ca -0.01 0.01 0.09 0.00 -0.00 0.00 0.00 57.88 57.97 1fwt h LEU 2029Cb 0.56 -0.14 -0.07 0.00 -0.00 0.00 0.00 40.66 41.01 1fwt h LEU 2029CO -0.07 0.44 0.64 -1.28 -0.00 0.00 0.00 178.44 178.17 1fwt h SER 2030N 0.79 0.98 1.29 -0.43 0.87 0.26 0.19 113.55 117.50 1fwt h SER 2030Ca 0.34 0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.82 1fwt h SER 2030Cb 0.30 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 1fwt h SER 2030CO -0.12 0.59 -0.51 -0.33 -0.53 0.00 0.00 176.83 175.93 1fwt h GLU 2031N 1.09 0.00 0.07 2.24 4.39 0.16 -3.29 114.58 119.24 1fwt h GLU 2031Ca 0.45 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.88 1fwt h GLU 2031Cb 0.29 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 1fwt h GLU 2031CO -0.20 0.51 -1.33 -0.22 -1.16 0.00 0.00 179.01 176.60 1fwt h LYS 2032N 0.00 0.15 -2.74 2.33 3.64 -0.41 -3.38 116.57 116.16 1fwt h LYS 2032Ca -0.01 -0.26 -0.67 0.00 -1.27 0.00 0.00 60.65 58.44 1fwt h LYS 2032Cb 1.29 0.10 -0.37 0.00 -0.41 0.00 0.00 32.23 32.83 1fwt h LYS 2032CO 0.07 1.03 -0.17 1.19 -2.27 0.00 0.00 179.45 179.29 1fwt n PHE 2033N -3.39 3.48 0.28 1.91 3.01 0.54 -4.90 117.46 118.39 1fwt n PHE 2033Ca -0.10 -3.85 0.17 0.00 1.01 0.00 0.00 57.45 54.68 1fwt n PHE 2033Cb 1.01 -0.86 0.94 0.00 -0.01 0.00 0.00 39.48 40.55 1fwt n PHE 2033CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1fwt h LYS 2034N 5.05 0.00 -0.00 -1.08 1.79 -1.76 -1.35 116.57 119.21 1fwt h LYS 2034Ca 0.18 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 1fwt h LYS 2034Cb 0.70 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.35 1fwt h LYS 2034CO 0.93 0.00 -0.04 -1.91 -1.08 0.00 0.00 179.45 177.35 1fwt n GLU 2035N -3.70 0.62 -4.43 3.15 4.07 -1.26 -4.79 120.64 114.29 1fwt n GLU 2035Ca -0.02 -0.10 -0.34 0.00 -0.06 0.00 0.00 57.16 56.64 1fwt n GLU 2035Cb 0.15 -1.50 -0.10 0.00 -0.06 0.00 0.00 31.44 29.93 1fwt n GLU 2035CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1fwt s VAL 2036N -2.45 4.11 -0.39 6.31 1.01 -0.51 -3.96 120.40 124.53 1fwt s VAL 2036Ca 0.31 -0.32 -0.15 0.00 0.00 0.00 0.00 61.98 61.82 1fwt s VAL 2036Cb 0.20 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.86 1fwt s VAL 2036CO 0.45 0.59 0.34 -0.70 0.00 0.00 0.00 175.10 175.78 1fwt s GLU 2037N -0.68 3.24 0.15 2.72 2.12 -0.05 -4.97 118.70 121.21 1fwt s GLU 2037Ca 0.11 -0.74 -0.14 0.00 0.36 0.00 0.00 54.97 54.56 1fwt s GLU 2037Cb -0.12 -3.91 -0.07 0.00 0.26 0.00 0.00 34.13 30.30 1fwt s GLU 2037CO 0.02 -0.67 0.55 -0.06 -0.54 0.00 0.00 175.26 174.56 1fwt s PHE 2038N 1.90 3.60 -0.06 5.30 0.40 -1.26 -1.32 117.98 126.54 1fwt s PHE 2038Ca 0.09 1.05 -0.01 0.00 -0.60 0.00 0.00 56.93 57.46 1fwt s PHE 2038Cb -0.18 -2.36 0.03 0.00 0.51 0.00 0.00 43.02 41.02 1fwt s PHE 2038CO 0.12 0.43 -0.00 0.08 0.70 0.00 0.00 175.22 176.54 1fwt s VAL 2039N -1.47 0.33 -0.09 -0.44 1.01 -0.24 -4.17 120.40 115.33 1fwt s VAL 2039Ca 0.38 0.10 -0.29 0.00 0.00 0.00 0.00 61.98 62.18 1fwt s VAL 2039Cb -0.15 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 1fwt s VAL 2039CO 0.19 0.23 0.97 0.12 0.00 0.00 0.00 175.10 176.61 1fwt s PHE 2040N 1.69 3.54 0.01 5.22 5.36 -0.20 -1.44 117.98 132.16 1fwt s PHE 2040Ca 0.00 1.56 0.08 0.00 -0.96 0.00 0.00 56.93 57.62 1fwt s PHE 2040Cb -0.13 -3.13 -0.02 0.00 -0.34 0.00 0.00 43.02 39.40 1fwt s PHE 2040CO -0.04 -0.16 -0.24 0.21 -1.46 0.00 0.00 175.22 173.53 1fwt s LYS 2041N 1.74 1.81 -0.29 10.12 2.36 0.14 -1.21 119.74 134.42 1fwt s LYS 2041Ca 0.47 -0.96 -0.20 0.00 -2.55 0.00 0.00 55.97 52.73 1fwt s LYS 2041Cb -0.19 -1.86 0.16 0.00 -1.05 0.00 0.00 37.83 34.89 1fwt s LYS 2041CO 0.20 0.50 1.15 0.45 1.55 0.00 0.00 175.35 179.19 1fwt s SER 2042N -0.90 -0.30 -0.01 1.43 0.15 -1.18 -3.26 113.70 109.62 1fwt s SER 2042Ca 0.10 0.52 -0.24 0.00 0.70 0.00 0.00 55.95 57.03 1fwt s SER 2042Cb -0.09 0.87 -0.04 0.00 -1.71 0.00 0.00 66.02 65.04 1fwt s SER 2042CO 0.01 -0.09 0.73 -0.44 1.20 0.00 0.00 173.24 174.65 1fwt s SER 2043N 0.75 7.09 0.00 5.45 0.01 -0.28 -4.57 113.70 122.15 1fwt s SER 2043Ca -0.03 1.31 0.29 0.00 1.31 0.00 0.00 55.95 58.83 1fwt s SER 2043Cb -0.04 -2.44 1.23 0.00 0.21 0.00 0.00 66.02 64.98 1fwt s SER 2043CO -0.12 -0.05 1.90 2.22 0.41 0.00 0.00 173.24 177.59 1fwt n PHE 2044N 3.31 0.00 -3.64 2.43 1.16 -1.26 -1.19 117.46 118.27 1fwt n PHE 2044Ca -0.02 0.00 -0.06 0.00 -1.87 0.00 0.00 57.45 55.51 1fwt n PHE 2044Cb 0.51 -0.38 -0.07 0.00 -1.61 0.00 0.00 39.48 37.93 1fwt n PHE 2044CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1fwt s ASP 2045N -2.83 -0.79 -0.96 5.98 2.15 -1.25 -3.81 116.67 115.15 1fwt s ASP 2045Ca 0.19 1.27 -0.14 0.00 0.43 0.00 0.00 52.55 54.30 1fwt s ASP 2045Cb 0.19 1.32 0.21 0.00 -0.30 0.00 0.00 42.92 44.35 1fwt s ASP 2045CO 0.53 -0.20 1.00 -0.54 -0.17 0.00 0.00 175.17 175.78 1fwt s LYS 2046N 1.48 3.81 0.00 4.34 -0.14 0.48 -4.86 119.74 124.86 1fwt s LYS 2046Ca -0.09 -2.54 0.26 0.00 -1.36 0.00 0.00 55.97 52.24 1fwt s LYS 2046Cb -0.05 -4.63 1.37 0.00 -1.68 0.00 0.00 37.83 32.85 1fwt s LYS 2046CO -0.17 -1.42 1.88 0.00 -0.76 0.00 0.00 175.35 174.87 1fwt n ALA 2047N 4.32 2.34 -1.84 5.17 0.00 -1.26 -3.89 120.51 125.35 1fwt n ALA 2047Ca 0.21 -0.13 0.05 0.00 0.00 0.00 0.00 53.44 53.57 1fwt n ALA 2047Cb 0.45 -1.42 0.14 0.00 0.00 0.00 0.00 19.45 18.62 1fwt n ALA 2047CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1fwt n ASN 2048N -1.21 1.49 -4.69 0.00 2.04 -1.26 -5.09 115.26 106.54 1fwt n ASN 2048Ca 0.14 -3.22 -0.34 0.00 -0.44 0.00 0.00 54.58 50.72 1fwt n ASN 2048Cb 0.17 -0.44 0.12 0.00 -2.53 0.00 0.00 39.78 37.09 1fwt n ASN 2048CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1fwt n ARG 2049N -0.63 0.36 -0.07 -3.83 5.12 -1.25 -4.93 116.66 111.44 1fwt n ARG 2049Ca 0.14 0.20 -0.13 0.00 -1.93 0.00 0.00 57.85 56.13 1fwt n ARG 2049Cb 0.82 -2.43 -0.06 0.00 -1.16 0.00 0.00 32.46 29.63 1fwt n ARG 2049CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 1fwt h SER 2050N -0.62 0.50 -2.82 0.55 0.02 -1.98 -3.45 113.55 105.76 1fwt h SER 2050Ca -0.47 -0.48 -0.64 0.00 -0.84 0.00 0.00 61.79 59.36 1fwt h SER 2050Cb 1.31 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 63.65 1fwt h SER 2050CO 0.47 0.88 -0.40 -0.55 -1.14 0.00 0.00 176.83 176.09 1fwt s SER 2051N -6.27 6.49 0.56 3.07 0.15 -1.26 -4.98 113.70 111.46 1fwt s SER 2051Ca -0.14 0.57 0.34 0.00 0.70 0.00 0.00 55.95 57.42 1fwt s SER 2051Cb 0.06 -2.10 1.49 0.00 -1.71 0.00 0.00 66.02 63.77 1fwt s SER 2051CO 0.78 0.32 2.03 -0.29 1.20 0.00 0.00 173.24 177.28 1fwt h ILE 2052N 3.43 0.08 -0.27 6.45 6.09 -2.03 -2.79 117.51 128.48 1fwt h ILE 2052Ca -0.52 -0.49 0.00 0.00 -1.37 0.00 0.00 64.86 62.48 1fwt h ILE 2052Cb 1.21 1.45 0.00 0.00 0.47 0.00 0.00 36.82 39.95 1fwt h ILE 2052CO 0.63 0.03 0.00 1.41 -3.07 0.00 0.00 178.15 177.14 1fwt n HIS 2053N -3.14 0.34 -2.66 2.19 8.25 -1.26 -4.95 115.22 113.99 1fwt n HIS 2053Ca -0.00 -0.17 -0.26 0.00 -0.26 0.00 0.00 57.72 57.03 1fwt n HIS 2053Cb 0.28 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.40 1fwt n HIS 2053CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1fwt s SER 2054N -1.46 5.99 0.15 0.41 0.01 -1.05 -5.03 113.70 112.72 1fwt s SER 2054Ca 0.33 0.73 -0.31 0.00 1.31 0.00 0.00 55.95 58.01 1fwt s SER 2054Cb 0.18 -1.95 -0.09 0.00 0.21 0.00 0.00 66.02 64.37 1fwt s SER 2054CO 0.27 -0.73 1.49 0.12 0.41 0.00 0.00 173.24 174.80 1fwt s PHE 2055N -2.77 3.13 -0.14 2.43 5.36 -1.26 -4.93 117.98 119.81 1fwt s PHE 2055Ca 0.49 0.77 -0.04 0.00 -0.96 0.00 0.00 56.93 57.19 1fwt s PHE 2055Cb -0.10 -3.83 -0.07 0.00 -0.34 0.00 0.00 43.02 38.68 1fwt s PHE 2055CO 0.43 -2.99 -0.16 0.54 -1.46 0.00 0.00 175.22 171.58 1fwt n ARG 2056N 3.86 0.31 -1.87 10.12 1.74 -1.26 -4.69 116.66 124.87 1fwt n ARG 2056Ca 0.13 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.32 1fwt n ARG 2056Cb 0.40 -1.09 0.00 0.00 -1.02 0.00 0.00 32.46 30.75 1fwt n ARG 2056CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fwt n GLY 2057N 2.36 -0.15 0.92 -0.13 0.00 -1.26 -0.39 105.19 106.55 1fwt n GLY 2057Ca -0.27 -1.59 0.08 0.00 0.00 0.00 0.00 46.02 44.23 1fwt n GLY 2057CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1fwt n HIS 2058N 8.58 0.75 0.00 1.61 8.25 -1.26 -5.04 115.22 128.11 1fwt n HIS 2058Ca 0.00 -0.57 0.00 0.00 -0.26 0.00 0.00 57.72 56.89 1fwt n HIS 2058Cb 0.00 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.02 1fwt n HIS 2058CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1fwt n GLY 2059N 0.65 2.10 0.21 -1.41 0.00 -1.25 -4.43 105.19 101.06 1fwt n GLY 2059Ca 0.17 -1.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.17 1fwt n GLY 2059CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1fwt h LEU 2060N 0.00 0.64 0.42 0.99 5.85 -1.99 -2.03 115.31 119.19 1fwt h LEU 2060Ca 0.00 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 1fwt h LEU 2060Cb 0.00 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.87 1fwt h LEU 2060CO 0.00 0.71 -0.20 -0.33 -0.34 0.00 0.00 178.44 178.28 1fwt h GLU 2061N 0.53 -0.55 -0.90 1.25 5.08 -1.97 0.58 114.58 118.61 1fwt h GLU 2061Ca 0.13 0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.58 1fwt h GLU 2061Cb 0.33 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.64 1fwt h GLU 2061CO 0.00 -0.35 0.57 -0.92 -1.00 0.00 0.00 179.01 177.31 1fwt h TYR 2062N -0.59 1.06 0.06 4.33 3.20 -1.77 -1.22 116.97 122.04 1fwt h TYR 2062Ca -0.06 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.84 1fwt h TYR 2062Cb 0.45 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.37 1fwt h TYR 2062CO -0.04 0.56 -0.03 0.78 -1.64 0.00 0.00 178.16 177.79 1fwt h GLY 2063N 1.06 -0.08 1.43 1.82 0.00 -1.11 -1.34 103.07 104.85 1fwt h GLY 2063Ca 0.38 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.75 1fwt h GLY 2063CO -0.16 -0.03 0.37 -2.08 0.00 0.00 0.00 176.54 174.64 1fwt h VAL 2064N -0.26 1.15 -0.22 4.60 2.07 -0.64 -0.64 116.25 122.31 1fwt h VAL 2064Ca -0.01 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 1fwt h VAL 2064Cb 0.23 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1fwt h VAL 2064CO 0.01 0.15 0.03 0.50 0.02 0.00 0.00 177.57 178.28 1fwt h LYS 2065N 0.78 0.38 -0.68 1.57 3.64 -1.05 -0.55 116.57 120.65 1fwt h LYS 2065Ca 0.21 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 1fwt h LYS 2065Cb -0.07 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 1fwt h LYS 2065CO -0.04 0.53 0.32 0.00 -2.27 0.00 0.00 179.45 177.99 1fwt h ALA 2066N 0.83 0.88 -0.09 5.00 0.00 -0.67 -1.07 119.26 124.15 1fwt h ALA 2066Ca 0.07 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1fwt h ALA 2066Cb 0.34 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1fwt h ALA 2066CO 0.01 0.45 -0.33 -0.07 0.00 0.00 0.00 179.25 179.30 1fwt h LEU 2067N 0.95 0.18 -0.32 0.00 3.38 -1.05 -2.00 115.31 116.45 1fwt h LEU 2067Ca 0.23 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1fwt h LEU 2067Cb 0.13 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1fwt h LEU 2067CO -0.03 0.51 0.17 0.03 0.09 0.00 0.00 178.44 179.20 1fwt h ARG 2068N 0.15 0.45 -0.35 1.13 2.47 -0.35 -1.88 114.38 116.00 1fwt h ARG 2068Ca 0.02 -0.06 0.05 0.00 -1.26 0.00 0.00 59.98 58.73 1fwt h ARG 2068Cb 0.67 -0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 28.86 1fwt h ARG 2068CO 0.05 0.39 0.08 -0.22 0.56 0.00 0.00 179.97 180.83 1fwt h LYS 2069N 0.39 0.20 -0.01 0.04 1.63 -0.60 -0.13 116.57 118.08 1fwt h LYS 2069Ca 0.11 -0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.91 1fwt h LYS 2069Cb 0.08 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.66 1fwt h LYS 2069CO -0.02 0.13 -0.04 0.28 -3.45 0.00 0.00 179.45 176.36 1fwt h VAL 2070N 0.21 0.90 -0.55 2.00 2.07 -1.14 0.16 116.25 119.89 1fwt h VAL 2070Ca 0.16 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.68 1fwt h VAL 2070Cb 0.18 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1fwt h VAL 2070CO -0.21 0.00 0.34 0.50 0.02 0.00 0.00 177.57 178.22 1fwt h LYS 2071N -0.06 0.74 -0.25 1.57 3.64 -1.05 0.18 116.57 121.33 1fwt h LYS 2071Ca 0.02 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.25 1fwt h LYS 2071Cb 0.09 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1fwt h LYS 2071CO -0.05 0.52 -0.21 0.93 -2.27 0.00 0.00 179.45 178.37 1fwt h GLU 2072N 0.74 0.59 -0.00 1.90 5.08 -0.85 0.39 114.58 122.42 1fwt h GLU 2072Ca 0.20 -0.29 -0.16 0.00 -1.00 0.00 0.00 59.36 58.10 1fwt h GLU 2072Cb -0.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1fwt h GLU 2072CO -0.04 0.88 -0.74 1.49 -1.00 0.00 0.00 179.01 179.60 1fwt h GLU 2073N 0.30 0.04 0.00 2.33 4.81 -0.60 -3.36 114.58 118.10 1fwt h GLU 2073Ca 0.04 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1fwt h GLU 2073Cb 0.76 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.15 1fwt h GLU 2073CO 0.05 0.77 -0.15 1.19 -0.73 0.00 0.00 179.01 180.14 1fwt n PHE 2074N -3.68 0.00 -2.51 0.92 3.72 0.04 -5.02 117.46 110.94 1fwt n PHE 2074Ca -0.01 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.24 1fwt n PHE 2074Cb 0.72 -0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.27 1fwt n PHE 2074CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1fwt n GLY 2075N 1.10 -0.17 3.88 1.37 0.00 0.14 -4.99 105.19 106.52 1fwt n GLY 2075Ca 0.00 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 1fwt n GLY 2075CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fwt s LEU 2076N -4.32 4.37 0.80 0.99 1.43 -1.24 -5.05 118.68 115.66 1fwt s LEU 2076Ca 0.10 0.45 -0.12 0.00 -1.03 0.00 0.00 54.13 53.53 1fwt s LEU 2076Cb -0.04 -2.14 0.08 0.00 0.03 0.00 0.00 46.19 44.11 1fwt s LEU 2076CO 0.12 0.39 1.14 -0.54 0.23 0.00 0.00 176.35 177.69 1fwt s LYS 2077N -1.15 1.86 0.12 1.70 1.02 -1.26 -4.36 119.74 117.67 1fwt s LYS 2077Ca 0.17 1.45 0.08 0.00 0.02 0.00 0.00 55.97 57.69 1fwt s LYS 2077Cb -0.12 -1.83 -0.04 0.00 -0.52 0.00 0.00 37.83 35.32 1fwt s LYS 2077CO 0.06 -1.98 -0.20 0.42 -0.92 0.00 0.00 175.35 172.73 1fwt s ILE 2078N -2.57 1.77 -0.14 2.17 -1.09 -1.26 -1.04 121.20 119.04 1fwt s ILE 2078Ca 0.66 -1.68 -0.12 0.00 -2.23 0.00 0.00 60.65 57.28 1fwt s ILE 2078Cb -0.22 -1.67 0.04 0.00 -1.58 0.00 0.00 42.46 39.03 1fwt s ILE 2078CO 0.53 -0.14 0.36 0.28 -1.23 0.00 0.00 174.94 174.74 1fwt s THR 2079N -1.47 -0.00 0.13 2.92 -1.32 -0.35 0.12 115.64 115.67 1fwt s THR 2079Ca 0.10 0.02 -0.16 0.00 -1.21 0.00 0.00 61.69 60.44 1fwt s THR 2079Cb -0.09 -0.51 0.03 0.00 -1.51 0.00 0.00 72.50 70.42 1fwt s THR 2079CO 0.05 0.01 0.40 0.28 -2.21 0.00 0.00 174.62 173.15 1fwt s THR 2080N 0.37 0.07 0.15 5.08 -1.32 -1.20 -3.09 115.64 115.70 1fwt s THR 2080Ca -0.01 -0.65 0.01 0.00 -1.21 0.00 0.00 61.69 59.83 1fwt s THR 2080Cb -0.04 -1.24 -0.04 0.00 -1.51 0.00 0.00 72.50 69.67 1fwt s THR 2080CO -0.01 -0.30 0.30 1.51 -2.21 0.00 0.00 174.62 173.91 1fwt s ASP 2081N -2.82 6.36 0.27 8.08 -4.77 -1.26 -1.01 116.67 121.52 1fwt s ASP 2081Ca 0.04 0.26 0.10 0.00 -3.30 0.00 0.00 52.55 49.65 1fwt s ASP 2081Cb 0.02 -1.95 -0.05 0.00 -1.09 0.00 0.00 42.92 39.85 1fwt s ASP 2081CO -0.10 0.05 -0.06 0.27 0.70 0.00 0.00 175.17 176.03 1fwt s ILE 2082N -1.74 3.13 0.00 2.11 -4.36 -0.81 -4.76 121.20 114.78 1fwt s ILE 2082Ca 0.36 -2.05 0.00 0.00 -0.26 0.00 0.00 60.65 58.70 1fwt s ILE 2082Cb -0.11 -2.69 0.00 0.00 1.25 0.00 0.00 42.46 40.90 1fwt s ILE 2082CO 0.28 -0.37 0.00 1.41 0.24 0.00 0.00 174.94 176.50 1fwt n HIS 2083N -0.83 0.00 -3.88 1.37 8.25 -1.26 -4.35 115.22 114.52 1fwt n HIS 2083Ca -0.06 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.29 1fwt n HIS 2083Cb 0.59 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.60 1fwt n HIS 2083CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1fwt s GLU 2084N -1.01 0.44 0.29 -0.41 2.02 -1.26 -5.07 118.70 113.70 1fwt s GLU 2084Ca 0.00 -0.38 0.04 0.00 0.02 0.00 0.00 54.97 54.65 1fwt s GLU 2084Cb 0.00 0.18 0.73 0.00 0.10 0.00 0.00 34.13 35.15 1fwt s GLU 2084CO 0.00 -0.10 1.69 0.77 0.02 0.00 0.00 175.26 177.64 1fwt h SER 2085N 4.44 0.28 -0.01 -0.19 0.02 -1.91 -1.55 113.55 114.63 1fwt h SER 2085Ca -0.30 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1fwt h SER 2085Cb 1.20 0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.89 1fwt h SER 2085CO 0.41 -0.03 0.01 4.11 -1.14 0.00 0.00 176.83 180.19 1fwt h TRP 2086N 0.37 0.00 0.00 3.45 5.08 -1.97 -2.50 115.95 120.37 1fwt h TRP 2086Ca 0.56 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.52 1fwt h TRP 2086Cb 1.08 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.24 1fwt h TRP 2086CO -0.15 0.00 -0.05 1.96 -1.28 0.00 0.00 178.44 178.92 1fwt h GLN 2087N 0.00 0.00 0.00 0.12 4.20 -1.71 -3.36 115.11 114.36 1fwt h GLN 2087Ca 0.00 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.75 1fwt h GLN 2087Cb 0.03 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.76 1fwt h GLN 2087CO -0.00 0.05 -0.30 0.00 -0.67 0.00 0.00 178.83 177.91 1fwt h ALA 2088N 1.95 -0.42 0.58 3.87 0.00 -1.59 -2.15 119.26 121.50 1fwt h ALA 2088Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1fwt h ALA 2088Cb 0.78 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1fwt h ALA 2088CO 0.01 -0.81 -0.44 1.49 0.00 0.00 0.00 179.25 179.50 1fwt h GLU 2089N -0.45 -0.95 -0.51 0.00 4.81 -1.80 -0.23 114.58 115.45 1fwt h GLU 2089Ca 0.06 0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.38 1fwt h GLU 2089Cb 0.53 0.22 -0.03 0.00 0.63 0.00 0.00 28.75 30.10 1fwt h GLU 2089CO -0.25 -0.63 0.34 -1.00 -0.73 0.00 0.00 179.01 176.74 1fwt h PRO 2090N -0.99 0.59 -0.13 0.92 0.13 -1.77 -2.23 132.00 128.53 1fwt h PRO 2090Ca -0.07 -0.04 -0.17 0.00 -0.87 0.00 0.00 66.00 64.86 1fwt h PRO 2090Cb 0.83 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 1fwt h PRO 2090CO 0.02 0.39 -0.62 0.28 -0.23 0.00 0.00 178.00 177.85 1fwt h VAL 2091N 0.61 1.35 0.00 1.56 2.07 -1.23 -3.02 116.25 117.58 1fwt h VAL 2091Ca 0.20 -1.92 0.00 0.00 0.82 0.00 0.00 66.70 65.80 1fwt h VAL 2091Cb 0.06 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1fwt h VAL 2091CO -0.05 0.59 0.00 0.00 0.02 0.00 0.00 177.57 178.13 1fwt n ALA 2092N -2.51 1.14 -0.01 1.67 0.00 -0.11 -1.07 120.51 119.62 1fwt n ALA 2092Ca -0.03 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1fwt n ALA 2092Cb 0.64 -1.29 0.31 0.00 0.00 0.00 0.00 19.45 19.11 1fwt n ALA 2092CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1fwt h GLU 2093N 0.00 0.55 0.00 0.00 4.39 -1.52 -3.34 114.58 114.66 1fwt h GLU 2093Ca 0.00 -0.10 -0.05 0.00 0.34 0.00 0.00 59.36 59.55 1fwt h GLU 2093Cb 0.06 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1fwt h GLU 2093CO 0.00 0.53 -1.19 0.28 -1.16 0.00 0.00 179.01 177.47 1fwt n VAL 2094N -4.31 0.19 -2.48 3.13 0.31 -0.84 -5.02 118.33 109.31 1fwt n VAL 2094Ca 0.02 -0.11 -0.43 0.00 -0.01 0.00 0.00 64.34 63.81 1fwt n VAL 2094Cb 0.21 -0.90 -0.02 0.00 -0.91 0.00 0.00 33.84 32.22 1fwt n VAL 2094CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fwt s ALA 2095N -2.07 3.67 0.18 3.52 0.00 -0.23 -4.44 121.76 122.38 1fwt s ALA 2095Ca -0.02 0.39 0.07 0.00 0.00 0.00 0.00 51.96 52.41 1fwt s ALA 2095Cb 0.01 -3.60 0.01 0.00 0.00 0.00 0.00 23.12 19.53 1fwt s ALA 2095CO 0.11 -1.13 1.40 -0.44 0.00 0.00 0.00 175.76 175.70 1fwt h ASP 2096N 8.00 0.04 -3.27 0.00 3.32 -0.64 -3.43 116.42 120.44 1fwt h ASP 2096Ca -0.25 -0.03 -0.49 0.00 0.02 0.00 0.00 57.03 56.27 1fwt h ASP 2096Cb 1.09 -0.01 -0.36 0.00 0.22 0.00 0.00 39.33 40.27 1fwt h ASP 2096CO 0.97 0.88 -0.79 -0.63 -1.72 0.00 0.00 179.24 177.94 1fwt s ILE 2097N -3.08 0.86 -0.18 0.35 1.01 -0.80 -2.51 121.20 116.86 1fwt s ILE 2097Ca -0.00 -0.22 -0.17 0.00 0.00 0.00 0.00 60.65 60.25 1fwt s ILE 2097Cb 0.11 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 1fwt s ILE 2097CO 0.80 0.33 0.47 -0.63 0.00 0.00 0.00 174.94 175.91 1fwt s ILE 2098N 1.49 5.16 -0.11 2.92 1.01 -0.07 -3.27 121.20 128.34 1fwt s ILE 2098Ca -0.00 0.87 -0.12 0.00 0.00 0.00 0.00 60.65 61.40 1fwt s ILE 2098Cb -0.13 -3.80 -0.05 0.00 0.01 0.00 0.00 42.46 38.49 1fwt s ILE 2098CO -0.05 0.24 0.29 -1.58 0.00 0.00 0.00 174.94 173.84 1fwt s GLN 2099N 1.24 3.97 -0.25 2.79 0.74 -0.18 -1.33 119.66 126.64 1fwt s GLN 2099Ca 0.23 0.13 -0.07 0.00 0.05 0.00 0.00 55.36 55.70 1fwt s GLN 2099Cb -0.15 -3.31 -0.02 0.00 1.10 0.00 0.00 33.01 30.62 1fwt s GLN 2099CO 0.09 0.49 0.06 0.42 -0.55 0.00 0.00 175.29 175.80 1fwt s ILE 2100N -0.31 4.15 0.54 -2.34 -1.09 -0.15 -1.92 121.20 120.09 1fwt s ILE 2100Ca 0.18 -0.27 -0.21 0.00 -2.23 0.00 0.00 60.65 58.12 1fwt s ILE 2100Cb -0.14 -2.96 -0.06 0.00 -1.58 0.00 0.00 42.46 37.72 1fwt s ILE 2100CO 0.06 0.32 1.06 -2.65 -1.23 0.00 0.00 174.94 172.51 1fwt n PRO 2101N 4.90 1.20 -0.10 2.79 -0.02 -1.26 -1.05 135.00 141.46 1fwt n PRO 2101Ca -0.16 0.45 -0.06 0.00 -2.02 0.00 0.00 63.50 61.71 1fwt n PRO 2101Cb 0.51 -2.22 0.02 0.00 -0.02 0.00 0.00 33.50 31.78 1fwt n PRO 2101CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fwt h ALA 2102N 0.99 0.35 0.00 3.55 0.00 -1.89 -0.69 119.26 121.57 1fwt h ALA 2102Ca -0.48 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1fwt h ALA 2102Cb 1.34 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 1fwt h ALA 2102CO 0.54 -0.37 -0.01 0.74 0.00 0.00 0.00 179.25 180.15 1fwt h PHE 2103N 0.15 0.00 -0.53 0.00 0.04 -1.91 -2.65 116.94 112.03 1fwt h PHE 2103Ca 0.17 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.94 1fwt h PHE 2103Cb 0.21 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.36 1fwt h PHE 2103CO -0.21 0.01 0.00 1.28 -0.60 0.00 0.00 178.31 178.79 1fwt n LEU 2104N -3.18 3.51 0.00 1.54 4.77 -0.33 -4.63 117.00 118.68 1fwt n LEU 2104Ca -0.02 -2.05 0.01 0.00 -0.03 0.00 0.00 56.01 53.92 1fwt n LEU 2104Cb 0.14 -0.37 0.06 0.00 -2.33 0.00 0.00 43.42 40.92 1fwt n LEU 2104CO 0.23 0.85 0.55 0.00 -1.33 0.00 0.00 177.39 177.68 1fwt n ARG 2106N -1.51 1.20 -2.60 0.00 1.74 -1.26 -4.90 116.66 109.33 1fwt n ARG 2106Ca 0.01 -1.40 -0.41 0.00 -0.77 0.00 0.00 57.85 55.27 1fwt n ARG 2106Cb 0.03 -1.22 -0.03 0.00 -1.02 0.00 0.00 32.46 30.22 1fwt n ARG 2106CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1fwt s GLN 2107N -0.92 3.43 0.25 5.56 -1.52 -0.63 -4.89 119.66 120.94 1fwt s GLN 2107Ca 0.15 -0.86 -0.11 0.00 -1.95 0.00 0.00 55.36 52.60 1fwt s GLN 2107Cb 0.10 -4.87 0.36 0.00 -0.22 0.00 0.00 33.01 28.38 1fwt s GLN 2107CO 0.14 -2.14 1.58 1.15 -0.25 0.00 0.00 175.29 175.77 1fwt h THR 2108N 6.43 0.12 -0.09 -0.19 2.02 -1.90 -0.85 112.91 118.45 1fwt h THR 2108Ca 0.01 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.14 1fwt h THR 2108Cb 1.03 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1fwt h THR 2108CO 1.34 0.00 -0.16 0.44 0.37 0.00 0.00 175.52 177.52 1fwt h ASP 2109N -0.01 0.14 -0.28 4.18 3.32 -1.98 -0.69 116.42 121.09 1fwt h ASP 2109Ca 0.41 -0.03 -0.13 0.00 0.02 0.00 0.00 57.03 57.30 1fwt h ASP 2109Cb 0.63 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 1fwt h ASP 2109CO -0.90 0.31 -0.34 0.25 -1.72 0.00 0.00 179.24 176.84 1fwt h LEU 2110N 0.14 0.79 -0.28 1.55 5.85 -1.54 -0.24 115.31 121.58 1fwt h LEU 2110Ca 0.03 -0.49 -0.03 0.00 0.84 0.00 0.00 57.88 58.23 1fwt h LEU 2110Cb 0.36 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1fwt h LEU 2110CO 0.02 1.12 0.07 -0.07 -0.34 0.00 0.00 178.44 179.25 1fwt h LEU 2111N 0.47 0.42 -0.50 2.25 3.38 -1.07 -1.26 115.31 119.01 1fwt h LEU 2111Ca 0.04 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 1fwt h LEU 2111Cb 0.93 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 1fwt h LEU 2111CO 0.08 0.54 0.16 -0.07 0.09 0.00 0.00 178.44 179.24 1fwt h LEU 2112N 0.28 0.71 -0.72 1.67 3.38 -1.12 0.15 115.31 119.66 1fwt h LEU 2112Ca 0.09 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.89 1fwt h LEU 2112Cb 0.28 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 1fwt h LEU 2112CO 0.00 0.72 0.45 0.00 0.09 0.00 0.00 178.44 179.70 1fwt h ALA 2113N 1.02 0.95 -0.26 1.53 0.00 -0.91 -0.11 119.26 121.48 1fwt h ALA 2113Ca 0.16 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1fwt h ALA 2113Cb 0.26 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1fwt h ALA 2113CO -0.01 0.21 0.02 0.00 0.00 0.00 0.00 179.25 179.47 1fwt h ALA 2114N 1.32 0.35 -0.84 0.00 0.00 -0.87 -3.08 119.26 116.14 1fwt h ALA 2114Ca 0.29 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1fwt h ALA 2114Cb 0.05 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1fwt h ALA 2114CO -0.12 0.07 0.56 0.00 0.00 0.00 0.00 179.25 179.76 1fwt h ALA 2115N 0.83 1.40 0.00 0.00 0.00 -0.50 -2.68 119.26 118.32 1fwt h ALA 2115Ca 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1fwt h ALA 2115Cb 0.39 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1fwt h ALA 2115CO 0.01 0.55 -0.05 -0.22 0.00 0.00 0.00 179.25 179.55 1fwt h LYS 2116N 1.14 0.00 0.00 0.00 3.64 -0.93 -2.54 116.57 117.88 1fwt h LYS 2116Ca 0.31 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1fwt h LYS 2116Cb -0.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 1fwt h LYS 2116CO -0.07 0.05 0.00 1.79 -2.27 0.00 0.00 179.45 178.95 1fwt h THR 2117N 0.00 0.00 0.00 1.00 1.35 -1.49 -3.46 112.91 110.31 1fwt h THR 2117Ca -0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 1fwt h THR 2117Cb 0.09 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 67.46 1fwt h THR 2117CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 1fwt n GLY 2118N -0.46 1.91 3.86 5.82 0.00 -0.96 -5.03 105.19 110.34 1fwt n GLY 2118Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1fwt n GLY 2118CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fwt s ARG 2119N -0.34 1.87 0.56 1.61 1.81 -1.26 -4.93 118.95 118.27 1fwt s ARG 2119Ca 0.00 0.26 -0.17 0.00 -1.72 0.00 0.00 55.73 54.10 1fwt s ARG 2119Cb 0.00 -1.93 -0.05 0.00 -0.45 0.00 0.00 34.95 32.52 1fwt s ARG 2119CO 0.00 -1.69 1.05 0.00 -0.68 0.00 0.00 175.30 173.98 1fwt s ALA 2120N -3.43 2.79 -0.08 2.13 0.00 -1.04 -4.78 121.76 117.34 1fwt s ALA 2120Ca 0.62 0.46 0.02 0.00 0.00 0.00 0.00 51.96 53.05 1fwt s ALA 2120Cb -0.12 -3.24 0.02 0.00 0.00 0.00 0.00 23.12 19.78 1fwt s ALA 2120CO 0.51 -0.64 -0.12 0.08 0.00 0.00 0.00 175.76 175.59 1fwt s VAL 2121N -2.31 1.20 -0.26 0.00 1.01 -0.47 -0.89 120.40 118.68 1fwt s VAL 2121Ca 0.65 -0.48 -0.02 0.00 0.00 0.00 0.00 61.98 62.12 1fwt s VAL 2121Cb -0.16 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.13 1fwt s VAL 2121CO 0.31 0.38 -0.04 0.21 0.00 0.00 0.00 175.10 175.96 1fwt s ASN 2122N 0.91 4.44 -0.26 3.32 3.04 -0.44 -0.79 114.94 125.16 1fwt s ASN 2122Ca -0.10 -0.85 -0.10 0.00 0.04 0.00 0.00 52.86 51.85 1fwt s ASN 2122Cb -0.15 -1.70 -0.05 0.00 -1.54 0.00 0.00 41.25 37.82 1fwt s ASN 2122CO 0.01 -0.14 0.15 -0.69 -3.04 0.00 0.00 177.10 173.39 1fwt s VAL 2123N 1.35 5.12 0.00 -5.21 1.01 -0.18 -0.98 120.40 121.51 1fwt s VAL 2123Ca 0.00 0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.78 1fwt s VAL 2123Cb -0.17 -3.41 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 1fwt s VAL 2123CO -0.03 0.31 1.37 -0.54 0.00 0.00 0.00 175.10 176.20 1fwt s LYS 2124N 1.44 4.30 -0.10 2.72 -0.14 -0.22 -1.27 119.74 126.47 1fwt s LYS 2124Ca 0.07 1.93 -0.29 0.00 -1.36 0.00 0.00 55.97 56.31 1fwt s LYS 2124Cb -0.15 -3.54 -0.04 0.00 -1.68 0.00 0.00 37.83 32.42 1fwt s LYS 2124CO 0.07 -0.54 1.50 0.21 -0.76 0.00 0.00 175.35 175.83 1fwt s LYS 2125N 2.25 4.19 0.50 1.68 2.20 -0.22 -3.98 119.74 126.36 1fwt s LYS 2125Ca 0.63 1.97 -0.22 0.00 -0.36 0.00 0.00 55.97 57.99 1fwt s LYS 2125Cb -0.31 -3.90 -0.08 0.00 -1.51 0.00 0.00 37.83 32.03 1fwt s LYS 2125CO 0.26 -0.80 0.96 0.41 -0.36 0.00 0.00 175.35 175.83 1fwt n GLY 2126N 3.94 -0.32 0.08 5.54 0.00 -1.24 -4.58 105.19 108.60 1fwt n GLY 2126Ca 0.16 0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.28 1fwt n GLY 2126CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1fwt n GLN 2127N -0.29 0.10 0.00 1.61 3.00 -1.26 -1.75 117.38 118.79 1fwt n GLN 2127Ca 0.11 0.42 0.11 0.00 -0.01 0.00 0.00 57.00 57.63 1fwt n GLN 2127Cb 0.43 -1.72 -0.01 0.00 0.00 0.00 0.00 30.24 28.94 1fwt n GLN 2127CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 1fwt n PHE 2128N -1.91 0.00 -3.40 1.08 1.16 -1.26 -1.28 117.46 111.84 1fwt n PHE 2128Ca 0.02 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.24 1fwt n PHE 2128Cb 0.15 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 37.96 1fwt n PHE 2128CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 1fwt s LEU 2129N -2.48 4.37 0.31 5.98 2.96 -0.72 -5.06 118.68 124.05 1fwt s LEU 2129Ca 0.18 1.03 -0.06 0.00 -0.22 0.00 0.00 54.13 55.06 1fwt s LEU 2129Cb 0.18 -3.11 -0.05 0.00 0.50 0.00 0.00 46.19 43.70 1fwt s LEU 2129CO 0.57 0.15 0.60 0.00 -1.32 0.00 0.00 176.35 176.36 1fwt s ALA 2130N -1.38 3.57 0.21 5.97 0.00 -1.26 -4.91 121.76 123.95 1fwt s ALA 2130Ca 0.35 -0.49 -0.10 0.00 0.00 0.00 0.00 51.96 51.71 1fwt s ALA 2130Cb -0.15 -2.38 0.29 0.00 0.00 0.00 0.00 23.12 20.87 1fwt s ALA 2130CO 0.18 0.19 1.70 -1.35 0.00 0.00 0.00 175.76 176.49 1fwt h PRO 2131N 1.59 0.24 0.00 0.00 0.11 -1.98 -0.95 132.00 131.01 1fwt h PRO 2131Ca -0.48 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1fwt h PRO 2131Cb 1.19 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1fwt h PRO 2131CO 0.66 0.16 -0.01 0.11 -0.21 0.00 0.00 178.00 178.71 1fwt h TRP 2132N 0.25 0.00 0.00 0.65 0.09 -1.94 -2.47 115.95 112.53 1fwt h TRP 2132Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.29 1fwt h TRP 2132Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.70 1fwt h TRP 2132CO -0.25 0.01 0.00 -0.25 0.09 0.00 0.00 178.44 178.04 1fwt n ASP 2133N -3.12 0.69 0.07 0.11 8.00 -0.36 -2.56 116.55 119.38 1fwt n ASP 2133Ca -0.00 0.68 0.12 0.00 0.71 0.00 0.00 54.79 56.30 1fwt n ASP 2133Cb 0.26 -0.82 0.47 0.00 -0.02 0.00 0.00 41.12 41.01 1fwt n ASP 2133CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1fwt n THR 2134N -2.27 0.55 -0.23 -3.53 -2.24 -0.93 -3.32 114.28 102.31 1fwt n THR 2134Ca 0.02 -0.03 -0.05 0.00 -2.27 0.00 0.00 64.05 61.72 1fwt n THR 2134Cb 0.22 -0.75 0.05 0.00 -2.10 0.00 0.00 70.33 67.76 1fwt n THR 2134CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1fwt h LYS 2135N 0.00 0.82 -0.16 -0.78 3.64 -1.70 -1.62 116.57 116.77 1fwt h LYS 2135Ca 0.00 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 1fwt h LYS 2135Cb 0.53 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1fwt h LYS 2135CO 0.00 0.54 -0.15 -0.91 -2.27 0.00 0.00 179.45 176.66 1fwt h ASN 2136N 0.84 0.25 -0.28 4.20 -0.26 -1.79 -1.96 115.58 116.59 1fwt h ASN 2136Ca 0.25 -0.06 -0.02 0.00 -0.56 0.00 0.00 56.30 55.91 1fwt h ASN 2136Cb -0.05 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.13 1fwt h ASN 2136CO -0.07 0.43 0.10 0.58 -1.06 0.00 0.00 177.43 177.40 1fwt h VAL 2137N 0.24 1.19 -0.45 2.81 2.07 -1.45 -2.06 116.25 118.61 1fwt h VAL 2137Ca 0.05 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 1fwt h VAL 2137Cb 0.42 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1fwt h VAL 2137CO 0.03 0.20 0.27 0.58 0.02 0.00 0.00 177.57 178.66 1fwt h VAL 2138N 0.29 1.14 -0.98 2.57 2.07 -1.05 -2.55 116.25 117.75 1fwt h VAL 2138Ca 0.09 -0.33 0.08 0.00 0.82 0.00 0.00 66.70 67.36 1fwt h VAL 2138Cb 0.21 0.56 -0.07 0.00 -1.52 0.00 0.00 31.29 30.47 1fwt h VAL 2138CO -0.01 0.15 0.63 -0.08 0.02 0.00 0.00 177.57 178.28 1fwt h GLU 2139N 0.59 1.05 -0.44 1.57 4.81 -1.17 -0.46 114.58 120.54 1fwt h GLU 2139Ca 0.16 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1fwt h GLU 2139Cb 0.00 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.13 1fwt h GLU 2139CO -0.03 0.70 0.25 0.87 -0.73 0.00 0.00 179.01 180.06 1fwt h LYS 2140N 1.08 0.60 -0.43 1.92 1.57 -0.96 -0.64 116.57 119.71 1fwt h LYS 2140Ca 0.44 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 59.11 1fwt h LYS 2140Cb 0.27 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1fwt h LYS 2140CO -0.19 0.47 0.12 -0.07 -0.57 0.00 0.00 179.45 179.21 1fwt h LEU 2141N 0.57 0.64 -0.89 2.94 3.38 -1.10 -1.14 115.31 119.71 1fwt h LEU 2141Ca 0.15 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1fwt h LEU 2141Cb 0.04 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1fwt h LEU 2141CO -0.03 0.70 0.54 0.11 0.09 0.00 0.00 178.44 179.85 1fwt h LYS 2142N 0.56 1.21 -0.29 1.13 1.57 -0.93 0.22 116.57 120.04 1fwt h LYS 2142Ca 0.14 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1fwt h LYS 2142Cb 0.30 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1fwt h LYS 2142CO -0.00 0.85 0.13 0.35 -0.57 0.00 0.00 179.45 180.21 1fwt h PHE 2143N 1.23 0.39 -0.08 -1.35 3.57 -0.77 -1.11 116.94 118.81 1fwt h PHE 2143Ca 0.32 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.82 1fwt h PHE 2143Cb -0.05 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.56 1fwt h PHE 2143CO 0.00 0.30 0.00 0.41 -2.23 0.00 0.00 178.31 176.79 1fwt n GLY 2144N -1.33 -0.39 0.55 2.40 0.00 -0.11 -4.90 105.19 101.41 1fwt n GLY 2144Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1fwt n GLY 2144CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fwt n GLY 2145N 0.94 0.62 3.76 -0.02 0.00 -0.42 -3.65 105.19 106.42 1fwt n GLY 2145Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1fwt n GLY 2145CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fwt s ALA 2146N -2.35 3.46 0.00 4.61 0.00 -0.20 -4.93 121.76 122.35 1fwt s ALA 2146Ca 0.00 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.06 1fwt s ALA 2146Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1fwt s ALA 2146CO 0.00 -0.43 0.00 1.63 0.00 0.00 0.00 175.76 176.96 1fwt n LYS 2147N 1.09 2.96 -3.67 0.00 5.02 -1.26 -4.28 118.16 118.02 1fwt n LYS 2147Ca -0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.90 1fwt n LYS 2147Cb 0.43 -0.97 -0.10 0.00 -0.02 0.00 0.00 35.03 34.36 1fwt n LYS 2147CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1fwt s GLU 2148N -1.93 2.39 -0.09 1.97 2.12 -1.26 -5.07 118.70 116.83 1fwt s GLU 2148Ca 0.00 -1.60 0.04 0.00 0.36 0.00 0.00 54.97 53.77 1fwt s GLU 2148Cb 0.00 -3.70 -0.00 0.00 0.26 0.00 0.00 34.13 30.69 1fwt s GLU 2148CO 0.00 -1.00 -0.24 0.42 -0.54 0.00 0.00 175.26 173.90 1fwt s ILE 2149N 1.32 2.03 0.10 -3.70 1.01 -1.26 -1.37 121.20 119.32 1fwt s ILE 2149Ca 0.04 -1.01 0.10 0.00 0.00 0.00 0.00 60.65 59.78 1fwt s ILE 2149Cb -0.23 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 1fwt s ILE 2149CO -0.01 0.55 -0.25 -0.31 0.00 0.00 0.00 174.94 174.93 1fwt s TYR 2150N 0.29 2.17 -0.09 3.97 1.51 0.03 -2.70 117.35 122.53 1fwt s TYR 2150Ca -0.17 -0.39 0.04 0.00 -1.01 0.00 0.00 57.07 55.53 1fwt s TYR 2150Cb -0.17 -1.21 0.00 0.00 -0.11 0.00 0.00 41.96 40.47 1fwt s TYR 2150CO 0.08 0.25 -0.21 -0.51 -1.11 0.00 0.00 175.55 174.06 1fwt s LEU 2151N -1.81 1.97 -0.17 -1.29 1.43 -0.12 -1.01 118.68 117.69 1fwt s LEU 2151Ca 0.12 -0.49 -0.03 0.00 -1.03 0.00 0.00 54.13 52.70 1fwt s LEU 2151Cb -0.10 -1.25 -0.02 0.00 0.03 0.00 0.00 46.19 44.85 1fwt s LEU 2151CO 0.05 0.13 -0.07 -0.89 0.23 0.00 0.00 176.35 175.79 1fwt s THR 2152N 0.41 3.40 -0.16 5.49 2.01 -0.40 -0.74 115.64 125.65 1fwt s THR 2152Ca -0.17 -0.51 -0.28 0.00 0.31 0.00 0.00 61.69 61.03 1fwt s THR 2152Cb -0.17 -2.49 -0.01 0.00 0.01 0.00 0.00 72.50 69.84 1fwt s THR 2152CO 0.07 0.47 0.95 -0.70 -0.69 0.00 0.00 174.62 174.73 1fwt s GLU 2153N 0.82 4.33 -0.02 4.92 2.56 0.50 -1.06 118.70 130.75 1fwt s GLU 2153Ca -0.02 1.24 0.16 0.00 0.00 0.00 0.00 54.97 56.34 1fwt s GLU 2153Cb -0.15 -3.58 0.27 0.00 2.00 0.00 0.00 34.13 32.67 1fwt s GLU 2153CO 0.01 -0.40 1.11 2.89 -0.56 0.00 0.00 175.26 178.31 1fwt n ARG 2154N 5.45 0.16 0.00 4.30 -4.01 -1.26 -0.52 116.66 120.78 1fwt n ARG 2154Ca 0.08 -1.76 0.00 0.00 -1.04 0.00 0.00 57.85 55.13 1fwt n ARG 2154Cb 0.48 -0.35 0.00 0.00 -3.04 0.00 0.00 32.46 29.55 1fwt n ARG 2154CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1fwt n GLY 2155N 0.13 1.45 3.15 2.89 0.00 -1.26 -3.87 105.19 107.68 1fwt n GLY 2155Ca 0.05 -1.80 -0.21 0.00 0.00 0.00 0.00 46.02 44.06 1fwt n GLY 2155CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fwt s THR 2156N -2.86 1.19 0.02 2.61 2.01 0.04 -4.36 115.64 114.29 1fwt s THR 2156Ca 0.00 -0.91 -0.35 0.00 0.31 0.00 0.00 61.69 60.74 1fwt s THR 2156Cb 0.00 -1.04 -0.14 0.00 0.01 0.00 0.00 72.50 71.33 1fwt s THR 2156CO 0.00 0.13 1.65 0.41 -0.69 0.00 0.00 174.62 176.11 1fwt n THR 2157N 2.15 0.21 -3.59 -0.82 -1.04 -0.41 -1.59 114.28 109.20 1fwt n THR 2157Ca -0.17 -0.04 -0.29 0.00 -2.04 0.00 0.00 64.05 61.52 1fwt n THR 2157Cb 0.55 -1.48 -0.12 0.00 -1.82 0.00 0.00 70.33 67.46 1fwt n THR 2157CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1fwt s PHE 2158N 2.09 1.54 0.00 -1.42 5.36 -0.81 -4.84 117.98 119.91 1fwt s PHE 2158Ca 0.86 -2.24 0.00 0.00 -0.96 0.00 0.00 56.93 54.60 1fwt s PHE 2158Cb -0.77 -1.46 0.00 0.00 -0.34 0.00 0.00 43.02 40.45 1fwt s PHE 2158CO 0.47 -0.79 0.00 0.41 -1.46 0.00 0.00 175.22 173.85 1fwt n GLY 2159N 3.42 -0.93 3.83 13.12 0.00 -1.26 -4.36 105.19 119.01 1fwt n GLY 2159Ca 0.15 -1.20 -0.38 0.00 0.00 0.00 0.00 46.02 44.59 1fwt n GLY 2159CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fwt s TYR 2160N 0.00 3.74 -1.51 1.61 2.02 -1.26 -4.40 117.35 117.54 1fwt s TYR 2160Ca 0.00 1.02 -0.13 0.00 -0.37 0.00 0.00 57.07 57.60 1fwt s TYR 2160Cb 0.00 -2.31 0.08 0.00 -0.40 0.00 0.00 41.96 39.33 1fwt s TYR 2160CO 0.00 0.63 0.89 0.09 -1.57 0.00 0.00 175.55 175.60 1fwt n ASN 2161N 1.83 -4.76 -3.62 2.29 3.02 -1.26 -4.96 115.26 107.80 1fwt n ASN 2161Ca -0.13 -0.70 -0.16 0.00 -0.03 0.00 0.00 54.58 53.56 1fwt n ASN 2161Cb 0.52 -3.81 -0.07 0.00 -0.61 0.00 0.00 39.78 35.81 1fwt n ASN 2161CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1fwt s ASN 2162N -3.18 -0.45 0.05 6.41 3.04 -1.26 -4.16 114.94 115.39 1fwt s ASN 2162Ca 0.61 0.43 0.05 0.00 0.04 0.00 0.00 52.86 53.99 1fwt s ASN 2162Cb -0.31 0.44 -0.02 0.00 -1.54 0.00 0.00 41.25 39.82 1fwt s ASN 2162CO 0.76 -0.55 -0.15 -0.76 -3.04 0.00 0.00 177.10 173.36 1fwt s LEU 2163N -1.29 2.20 0.05 3.21 1.43 -1.26 -1.92 118.68 121.09 1fwt s LEU 2163Ca -0.12 -0.50 0.07 0.00 -1.03 0.00 0.00 54.13 52.55 1fwt s LEU 2163Cb -0.02 -0.61 -0.03 0.00 0.03 0.00 0.00 46.19 45.56 1fwt s LEU 2163CO 0.07 0.02 -0.20 0.54 0.23 0.00 0.00 176.35 177.01 1fwt s VAL 2164N -0.95 1.61 -0.33 -1.59 0.11 -0.62 -4.85 120.40 113.78 1fwt s VAL 2164Ca 0.01 -1.19 -0.11 0.00 -2.93 0.00 0.00 61.98 57.76 1fwt s VAL 2164Cb -0.08 -1.41 -0.01 0.00 -1.53 0.00 0.00 36.38 33.35 1fwt s VAL 2164CO 0.02 0.18 0.20 -0.69 -3.33 0.00 0.00 175.10 171.47 1fwt s VAL 2165N -0.82 4.90 -0.64 2.04 1.01 -1.26 -0.78 120.40 124.86 1fwt s VAL 2165Ca 0.07 -0.39 -0.18 0.00 0.00 0.00 0.00 61.98 61.47 1fwt s VAL 2165Cb -0.09 -3.54 0.12 0.00 0.00 0.00 0.00 36.38 32.87 1fwt s VAL 2165CO 0.02 -0.01 0.74 -0.62 0.00 0.00 0.00 175.10 175.23 1fwt s ASP 2166N 1.65 6.26 0.00 3.32 -1.08 -1.26 -4.91 116.67 120.66 1fwt s ASP 2166Ca 0.05 -1.59 0.06 0.00 -0.52 0.00 0.00 52.55 50.55 1fwt s ASP 2166Cb -0.17 -2.30 0.28 0.00 -1.46 0.00 0.00 42.92 39.27 1fwt s ASP 2166CO 0.08 -1.07 1.10 0.49 0.52 0.00 0.00 175.17 176.29 1fwt n PHE 2167N 6.16 0.00 0.28 -5.34 3.01 -1.26 -1.46 117.46 118.85 1fwt n PHE 2167Ca -0.05 0.00 0.16 0.00 1.01 0.00 0.00 57.45 58.57 1fwt n PHE 2167Cb 0.43 -0.37 0.80 0.00 -0.01 0.00 0.00 39.48 40.34 1fwt n PHE 2167CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1fwt h ARG 2168N 0.00 0.00 -0.55 -1.08 3.08 -2.04 -2.91 114.38 110.89 1fwt h ARG 2168Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1fwt h ARG 2168Cb 0.07 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 1fwt h ARG 2168CO 0.00 0.07 0.25 0.66 -1.07 0.00 0.00 179.97 179.88 1fwt h SER 2169N 0.00 0.70 0.36 7.04 4.64 -1.68 -3.06 113.55 121.55 1fwt h SER 2169Ca -0.00 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1fwt h SER 2169Cb 0.33 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.21 1fwt h SER 2169CO 0.01 0.61 -0.43 -0.07 -0.87 0.00 0.00 176.83 176.07 1fwt h LEU 2170N 0.77 -1.20 -1.49 5.97 4.07 -1.74 0.10 115.31 121.79 1fwt h LEU 2170Ca 0.19 0.11 -0.05 0.00 0.08 0.00 0.00 57.88 58.21 1fwt h LEU 2170Cb 0.10 0.41 -0.01 0.00 1.08 0.00 0.00 40.66 42.25 1fwt h LEU 2170CO -0.02 -0.57 -0.17 1.55 -1.08 0.00 0.00 178.44 178.15 1fwt h PRO 2171N -0.83 0.12 0.05 1.13 0.13 -1.75 -1.87 132.00 128.98 1fwt h PRO 2171Ca -0.03 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1fwt h PRO 2171Cb 0.76 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1fwt h PRO 2171CO -0.11 0.29 -0.02 0.82 -0.23 0.00 0.00 178.00 178.75 1fwt h ILE 2172N 0.11 1.23 0.00 -3.56 2.04 -1.37 -3.16 117.51 112.81 1fwt h ILE 2172Ca 0.02 -0.97 -0.04 0.00 1.00 0.00 0.00 64.86 64.88 1fwt h ILE 2172Cb 0.37 1.87 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 1fwt h ILE 2172CO 0.02 0.24 -0.19 0.24 0.00 0.00 0.00 178.15 178.47 1fwt h MET 2173N -0.50 0.00 0.00 2.37 2.86 -0.71 -2.45 114.93 116.50 1fwt h MET 2173Ca -0.01 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1fwt h MET 2173Cb 0.45 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 1fwt h MET 2173CO 0.01 0.19 -0.01 -0.22 1.06 0.00 0.00 176.91 177.94 1fwt h LYS 2174N 0.00 0.00 0.00 1.72 1.63 -1.30 -2.17 116.57 116.45 1fwt h LYS 2174Ca -0.00 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 1fwt h LYS 2174Cb 0.45 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.07 1fwt h LYS 2174CO 0.02 0.01 -0.13 1.96 -3.45 0.00 0.00 179.45 177.87 1fwt h GLN 2175N 0.00 0.00 0.00 1.90 4.20 -1.51 -3.30 115.11 116.40 1fwt h GLN 2175Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1fwt h GLN 2175Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1fwt h GLN 2175CO 0.00 0.13 0.00 -2.67 -0.67 0.00 0.00 178.83 175.62 1fwt n TRP 2176N -4.01 0.00 -3.63 2.96 2.14 -0.86 -5.11 117.44 108.94 1fwt n TRP 2176Ca -0.02 -0.11 -0.05 0.00 2.07 0.00 0.00 57.50 59.39 1fwt n TRP 2176Cb 0.21 -0.01 -0.02 0.00 -0.81 0.00 0.00 31.31 30.69 1fwt n TRP 2176CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1fwt s ALA 2177N -0.22 -1.84 0.29 -1.67 0.00 -0.92 -4.98 121.76 112.42 1fwt s ALA 2177Ca 0.00 0.68 -0.29 0.00 0.00 0.00 0.00 51.96 52.35 1fwt s ALA 2177Cb 0.00 0.44 -0.09 0.00 0.00 0.00 0.00 23.12 23.47 1fwt s ALA 2177CO 0.00 -0.87 1.09 0.15 0.00 0.00 0.00 175.76 176.14 1fwt s LYS 2178N -3.02 4.61 -0.14 0.00 1.02 -1.10 -4.05 119.74 117.06 1fwt s LYS 2178Ca 0.09 1.78 -0.02 0.00 0.02 0.00 0.00 55.97 57.84 1fwt s LYS 2178Cb -0.00 -3.14 -0.03 0.00 -0.52 0.00 0.00 37.83 34.14 1fwt s LYS 2178CO -0.03 0.19 -0.06 0.08 -0.92 0.00 0.00 175.35 174.61 1fwt s VAL 2179N -1.20 3.75 -0.02 3.17 1.01 -1.26 -0.94 120.40 124.90 1fwt s VAL 2179Ca 0.45 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 62.07 1fwt s VAL 2179Cb -0.31 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 1fwt s VAL 2179CO 0.40 0.52 -0.18 -0.63 0.00 0.00 0.00 175.10 175.20 1fwt s ILE 2180N 0.17 2.71 -0.24 2.22 -1.09 0.09 -0.07 121.20 124.99 1fwt s ILE 2180Ca -0.03 -0.94 -0.06 0.00 -2.23 0.00 0.00 60.65 57.39 1fwt s ILE 2180Cb -0.14 -2.05 -0.02 0.00 -1.58 0.00 0.00 42.46 38.67 1fwt s ILE 2180CO 0.03 0.53 0.04 -0.47 -1.23 0.00 0.00 174.94 173.84 1fwt s TYR 2181N -0.74 3.06 -0.63 3.97 5.04 -0.58 -0.37 117.35 127.09 1fwt s TYR 2181Ca 0.12 -0.57 -0.25 0.00 -2.44 0.00 0.00 57.07 53.93 1fwt s TYR 2181Cb -0.10 -2.21 0.04 0.00 0.35 0.00 0.00 41.96 40.04 1fwt s TYR 2181CO 0.01 -0.41 1.08 0.34 -1.34 0.00 0.00 175.55 175.22 1fwt s ASP 2182N 1.58 6.27 0.43 4.32 -1.08 0.32 -0.66 116.67 127.85 1fwt s ASP 2182Ca 0.06 -0.46 0.24 0.00 -0.52 0.00 0.00 52.55 51.87 1fwt s ASP 2182Cb -0.15 -2.48 0.69 0.00 -1.46 0.00 0.00 42.92 39.52 1fwt s ASP 2182CO 0.02 -1.48 1.73 0.00 0.52 0.00 0.00 175.17 175.96 1fwt h ALA 2183N 9.60 0.94 0.03 3.66 0.00 -1.38 -3.19 119.26 128.93 1fwt h ALA 2183Ca -0.27 -0.15 -0.37 0.00 0.00 0.00 0.00 54.91 54.11 1fwt h ALA 2183Cb 1.06 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 1fwt h ALA 2183CO 1.18 0.21 -2.29 0.25 0.00 0.00 0.00 179.25 178.59 1fwt n THR 2184N -3.21 1.55 0.20 0.00 -2.24 -1.26 -4.39 114.28 104.93 1fwt n THR 2184Ca 0.02 -0.66 0.09 0.00 -2.27 0.00 0.00 64.05 61.23 1fwt n THR 2184Cb 0.49 -1.27 0.19 0.00 -2.10 0.00 0.00 70.33 67.64 1fwt n THR 2184CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1fwt h HIS 2185N 0.02 0.00 0.00 4.78 3.86 -1.91 -3.24 115.15 118.66 1fwt h HIS 2185Ca -0.52 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.69 1fwt h HIS 2185Cb 2.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.48 1fwt h HIS 2185CO 0.03 0.17 0.00 0.77 0.86 0.00 0.00 177.93 179.76 1fwt h SER 2186N 0.00 0.00 -0.17 2.45 0.02 -1.66 -2.68 113.55 111.51 1fwt h SER 2186Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1fwt h SER 2186Cb 1.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1fwt h SER 2186CO 0.02 0.00 0.00 1.33 -1.14 0.00 0.00 176.83 177.04 1fwt n VAL 2187N -2.95 0.31 -2.31 2.27 0.24 -1.22 -4.71 118.33 109.95 1fwt n VAL 2187Ca -0.00 -0.65 -0.33 0.00 -2.04 0.00 0.00 64.34 61.31 1fwt n VAL 2187Cb 0.22 1.08 -0.02 0.00 -1.47 0.00 0.00 33.84 33.65 1fwt n VAL 2187CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fwt s GLN 2188N -1.24 3.67 -0.46 7.34 -2.07 -1.01 -4.62 119.66 121.27 1fwt s GLN 2188Ca 0.24 1.17 -0.06 0.00 -1.82 0.00 0.00 55.36 54.89 1fwt s GLN 2188Cb 0.15 -2.09 0.12 0.00 -1.09 0.00 0.00 33.01 30.10 1fwt s GLN 2188CO 0.21 -0.52 0.29 -0.51 -1.32 0.00 0.00 175.29 173.45 1fwt s LEU 2189N -4.05 5.49 0.12 2.60 1.43 -1.26 -4.32 118.68 118.69 1fwt s LEU 2189Ca 0.63 -2.05 -0.35 0.00 -1.03 0.00 0.00 54.13 51.33 1fwt s LEU 2189Cb -0.14 -1.92 -0.16 0.00 0.03 0.00 0.00 46.19 44.00 1fwt s LEU 2189CO 0.30 -0.60 1.31 -2.65 0.23 0.00 0.00 176.35 174.94 1fwt n PRO 2190N 4.65 1.27 -0.03 1.29 -0.02 -1.26 -4.90 135.00 136.00 1fwt n PRO 2190Ca -0.04 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1fwt n PRO 2190Cb 0.41 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1fwt n PRO 2190CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fwt n GLY 2191N 2.44 2.62 0.00 -1.23 0.00 -1.26 -4.23 105.19 103.53 1fwt n GLY 2191Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1fwt n GLY 2191CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1fwt n MET 2200N -2.00 0.00 -0.34 1.61 0.00 -1.26 -5.01 117.12 110.11 1fwt n MET 2200Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 57.70 57.87 1fwt n MET 2200Cb 0.00 0.00 0.39 0.00 0.00 0.00 0.00 33.22 33.61 1fwt n MET 2200CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 1fwt h ARG 2201N 0.00 0.58 0.00 0.03 2.43 -1.87 -0.58 114.38 114.97 1fwt h ARG 2201Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1fwt h ARG 2201Cb 0.00 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 1fwt h ARG 2201CO 0.00 0.39 0.00 -0.85 -1.51 0.00 0.00 179.97 178.00 1fwt n GLU 2202N -4.82 0.15 0.00 0.20 0.28 -1.26 -2.03 120.64 113.16 1fwt n GLU 2202Ca 0.26 0.61 0.10 0.00 -0.16 0.00 0.00 57.16 57.97 1fwt n GLU 2202Cb 0.72 -1.95 0.02 0.00 1.43 0.00 0.00 31.44 31.66 1fwt n GLU 2202CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1fwt n PHE 2203N -2.26 0.00 0.27 -1.84 3.01 -0.22 -4.56 117.46 111.85 1fwt n PHE 2203Ca -0.01 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.29 1fwt n PHE 2203Cb 0.06 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.45 1fwt n PHE 2203CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 1fwt h ILE 2204N 2.71 0.50 -0.05 4.37 2.04 -1.49 -2.50 117.51 123.09 1fwt h ILE 2204Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1fwt h ILE 2204Cb 0.75 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1fwt h ILE 2204CO 0.00 0.00 0.02 0.15 0.00 0.00 0.00 178.15 178.32 1fwt h PHE 2205N -0.65 0.08 -0.62 1.37 3.57 -1.81 -1.54 116.94 117.35 1fwt h PHE 2205Ca -0.06 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.52 1fwt h PHE 2205Cb 0.51 -0.02 -0.07 0.00 2.79 0.00 0.00 35.95 39.16 1fwt h PHE 2205CO -0.06 0.26 0.28 -1.35 -2.23 0.00 0.00 178.31 175.20 1fwt h PRO 2206N -0.12 0.48 0.00 6.41 0.11 -1.80 -1.23 132.00 135.86 1fwt h PRO 2206Ca 0.02 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.97 1fwt h PRO 2206Cb 0.21 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.20 1fwt h PRO 2206CO -0.00 0.32 -0.61 -0.07 -0.21 0.00 0.00 178.00 177.42 1fwt h LEU 2207N 0.49 0.00 -0.74 2.35 3.38 -1.39 -2.59 115.31 116.81 1fwt h LEU 2207Ca 0.30 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.14 1fwt h LEU 2207Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1fwt h LEU 2207CO -0.26 0.61 -0.56 -0.29 0.09 0.00 0.00 178.44 178.03 1fwt h ILE 2208N 0.00 1.38 -0.62 1.22 2.10 -0.71 -1.42 117.51 119.46 1fwt h ILE 2208Ca -0.01 -1.89 -0.08 0.00 1.08 0.00 0.00 64.86 63.97 1fwt h ILE 2208Cb 1.09 1.95 -0.02 0.00 -1.09 0.00 0.00 36.82 38.75 1fwt h ILE 2208CO 0.08 0.56 0.07 0.03 -1.08 0.00 0.00 178.15 177.81 1fwt h ARG 2209N 0.15 1.03 -0.60 2.19 3.08 -1.00 -2.61 114.38 116.63 1fwt h ARG 2209Ca -0.00 -0.28 -0.06 0.00 0.07 0.00 0.00 59.98 59.71 1fwt h ARG 2209Cb 1.03 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.94 1fwt h ARG 2209CO 0.08 0.97 0.14 0.00 -1.07 0.00 0.00 179.97 180.09 1fwt h ALA 2210N 1.10 0.79 -0.53 0.04 0.00 -1.14 -1.72 119.26 117.80 1fwt h ALA 2210Ca 0.19 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1fwt h ALA 2210Cb 0.46 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1fwt h ALA 2210CO 0.02 0.50 0.27 0.00 0.00 0.00 0.00 179.25 180.04 1fwt h ALA 2211N 1.03 0.68 0.00 0.00 0.00 -0.92 0.30 119.26 120.35 1fwt h ALA 2211Ca 0.19 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 1fwt h ALA 2211Cb 0.36 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1fwt h ALA 2211CO 0.00 -0.08 -0.64 -0.39 0.00 0.00 0.00 179.25 178.15 1fwt h VAL 2212N 0.52 1.29 -0.42 0.00 -1.51 -1.36 -0.03 116.25 114.75 1fwt h VAL 2212Ca 0.23 -2.31 -0.12 0.00 -1.23 0.00 0.00 66.70 63.27 1fwt h VAL 2212Cb 0.14 2.30 -0.01 0.00 -2.13 0.00 0.00 31.29 31.59 1fwt h VAL 2212CO -0.16 0.62 -0.23 0.00 -1.23 0.00 0.00 177.57 176.57 1fwt h ALA 2213N 1.36 0.80 -0.07 5.19 0.00 -0.69 -3.10 119.26 122.76 1fwt h ALA 2213Ca -0.01 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 1fwt h ALA 2213Cb 1.25 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1fwt h ALA 2213CO 0.08 0.65 -0.24 0.28 0.00 0.00 0.00 179.25 180.03 1fwt h VAL 2214N 0.73 1.43 0.00 0.00 2.07 -0.86 -3.47 116.25 116.16 1fwt h VAL 2214Ca 0.10 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 65.99 1fwt h VAL 2214Cb 0.77 2.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 1fwt h VAL 2214CO 0.06 0.46 0.00 0.61 0.02 0.00 0.00 177.57 178.72 1fwt n GLY 2215N 0.62 2.95 3.31 2.17 0.00 -0.03 -4.82 105.19 109.38 1fwt n GLY 2215Ca -0.08 -0.95 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 1fwt n GLY 2215CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fwt n ASP 2217N -0.21 0.98 0.00 0.00 8.00 0.90 -4.99 116.55 121.24 1fwt n ASP 2217Ca -0.06 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.64 1fwt n ASP 2217Cb 0.63 0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.94 1fwt n ASP 2217CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fwt n GLY 2218N 1.38 0.46 3.17 0.44 0.00 -1.09 -1.65 105.19 107.90 1fwt n GLY 2218Ca 0.10 -0.85 -0.21 0.00 0.00 0.00 0.00 46.02 45.07 1fwt n GLY 2218CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fwt s VAL 2219N -2.00 1.21 -0.15 1.61 1.01 0.20 -1.53 120.40 120.74 1fwt s VAL 2219Ca 0.00 -1.09 -0.01 0.00 0.00 0.00 0.00 61.98 60.89 1fwt s VAL 2219Cb 0.00 -1.10 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 1fwt s VAL 2219CO 0.00 -0.00 -0.12 0.12 0.00 0.00 0.00 175.10 175.10 1fwt s PHE 2220N -0.91 2.84 -0.07 5.22 2.19 0.16 -0.71 117.98 126.70 1fwt s PHE 2220Ca 0.02 -0.80 -0.03 0.00 0.33 0.00 0.00 56.93 56.46 1fwt s PHE 2220Cb -0.08 -1.91 0.04 0.00 -1.31 0.00 0.00 43.02 39.76 1fwt s PHE 2220CO 0.02 -0.34 0.13 -1.64 1.83 0.00 0.00 175.22 175.22 1fwt s MET 2221N 0.68 0.01 0.03 10.12 -1.94 0.98 -1.03 119.30 128.16 1fwt s MET 2221Ca -0.06 0.50 -0.26 0.00 -1.71 0.00 0.00 55.69 54.16 1fwt s MET 2221Cb -0.15 -0.33 -0.05 0.00 2.01 0.00 0.00 34.83 36.31 1fwt s MET 2221CO 0.02 -0.30 0.81 -1.21 -0.01 0.00 0.00 175.02 174.33 1fwt s GLU 2222N 2.18 4.53 0.03 2.03 2.02 -1.26 -2.80 118.70 125.43 1fwt s GLU 2222Ca 0.03 1.14 0.03 0.00 0.02 0.00 0.00 54.97 56.18 1fwt s GLU 2222Cb -0.12 -3.39 -0.02 0.00 0.10 0.00 0.00 34.13 30.70 1fwt s GLU 2222CO -0.05 0.20 -0.08 -0.08 0.02 0.00 0.00 175.26 175.26 1fwt s THR 2223N 0.21 0.63 -0.11 3.63 -1.32 0.31 -0.89 115.64 118.10 1fwt s THR 2223Ca 0.41 -0.87 -0.11 0.00 -1.21 0.00 0.00 61.69 59.91 1fwt s THR 2223Cb -0.21 -0.63 0.03 0.00 -1.51 0.00 0.00 72.50 70.18 1fwt s THR 2223CO 0.24 -0.19 0.32 -2.28 -2.21 0.00 0.00 174.62 170.50 1fwt s HIS 2224N -0.98 -0.34 0.29 9.09 5.04 -0.12 -2.40 115.29 125.86 1fwt s HIS 2224Ca -0.05 0.81 0.03 0.00 -1.54 0.00 0.00 55.06 54.32 1fwt s HIS 2224Cb -0.08 0.12 0.64 0.00 0.04 0.00 0.00 32.58 33.30 1fwt s HIS 2224CO 0.00 -0.18 1.79 -1.35 -2.34 0.00 0.00 174.74 172.66 1fwt h PRO 2225N 5.51 0.78 -2.32 2.88 0.11 -1.94 -2.09 132.00 134.94 1fwt h PRO 2225Ca -0.26 -0.05 -0.59 0.00 0.11 0.00 0.00 66.00 65.21 1fwt h PRO 2225Cb 1.19 -0.18 -0.38 0.00 0.11 0.00 0.00 31.00 31.74 1fwt h PRO 2225CO 0.31 0.52 -0.99 0.39 -0.21 0.00 0.00 178.00 178.02 1fwt n GLU 2226N -4.74 0.23 -0.35 1.05 1.02 -1.26 -4.50 120.64 112.09 1fwt n GLU 2226Ca 0.21 -3.17 0.28 0.00 -0.02 0.00 0.00 57.16 54.45 1fwt n GLU 2226Cb 0.48 -1.62 0.53 0.00 -0.02 0.00 0.00 31.44 30.81 1fwt n GLU 2226CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1fwt h PRO 2227N 5.46 0.22 -0.97 3.49 0.11 -1.85 0.20 132.00 138.66 1fwt h PRO 2227Ca 0.25 -0.01 0.24 0.00 0.11 0.00 0.00 66.00 66.59 1fwt h PRO 2227Cb 0.91 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 31.90 1fwt h PRO 2227CO 0.38 0.15 0.65 1.05 -0.21 0.00 0.00 178.00 180.02 1fwt h GLU 2228N 0.23 0.29 -0.05 1.05 4.11 -1.93 0.16 114.58 118.43 1fwt h GLU 2228Ca 0.76 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 60.17 1fwt h GLU 2228Cb 1.94 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 31.12 1fwt h GLU 2228CO -0.58 0.20 0.00 1.63 0.07 0.00 0.00 179.01 180.33 1fwt n LYS 2229N -4.48 2.30 -1.70 1.06 5.02 0.69 -4.99 118.16 116.07 1fwt n LYS 2229Ca 0.22 -1.90 -0.38 0.00 -2.02 0.00 0.00 58.31 54.23 1fwt n LYS 2229Cb 0.85 -1.46 0.05 0.00 -0.02 0.00 0.00 35.03 34.44 1fwt n LYS 2229CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fwt n ALA 2230N 1.29 1.04 1.33 7.82 0.00 0.04 -4.90 120.51 127.14 1fwt n ALA 2230Ca 0.15 0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.78 1fwt n ALA 2230Cb 0.59 -2.27 0.40 0.00 0.00 0.00 0.00 19.45 18.16 1fwt n ALA 2230CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1fwt n LEU 2231N -1.15 1.95 -3.70 0.00 4.77 -1.26 -4.60 117.00 113.01 1fwt n LEU 2231Ca 0.13 -0.66 -0.14 0.00 -0.03 0.00 0.00 56.01 55.31 1fwt n LEU 2231Cb 0.46 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.46 1fwt n LEU 2231CO 0.51 0.33 0.14 -0.55 -1.33 0.00 0.00 177.39 176.49 1fwt s SER 2232N -1.97 -0.38 -1.75 -1.43 0.15 -1.26 -4.44 113.70 102.62 1fwt s SER 2232Ca 0.35 0.50 -0.14 0.00 0.70 0.00 0.00 55.95 57.36 1fwt s SER 2232Cb 0.21 0.57 0.14 0.00 -1.71 0.00 0.00 66.02 65.23 1fwt s SER 2232CO 0.32 -0.38 0.35 0.47 1.20 0.00 0.00 173.24 175.20 1fwt n ASP 2233N 1.74 -0.67 -0.33 5.45 8.00 -1.26 -4.81 116.55 124.67 1fwt n ASP 2233Ca -0.18 -1.26 0.00 0.00 0.71 0.00 0.00 54.79 54.06 1fwt n ASP 2233Cb 0.56 -1.60 0.18 0.00 -0.02 0.00 0.00 41.12 40.24 1fwt n ASP 2233CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fwt h ALA 2234N 0.84 1.39 0.00 2.24 0.00 -1.81 -1.72 119.26 120.19 1fwt h ALA 2234Ca -0.62 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 1fwt h ALA 2234Cb 1.39 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1fwt h ALA 2234CO 0.82 0.53 -0.03 0.77 0.00 0.00 0.00 179.25 181.35 1fwt h SER 2235N 1.20 0.00 0.00 0.00 0.02 -1.87 -3.33 113.55 109.57 1fwt h SER 2235Ca 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 1fwt h SER 2235Cb -0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1fwt h SER 2235CO -0.10 0.03 0.00 0.35 -1.14 0.00 0.00 176.83 175.96 1fwt n THR 2236N -3.15 0.00 -2.30 -2.27 -2.24 -0.97 -4.04 114.28 99.30 1fwt n THR 2236Ca -0.00 -0.46 -0.41 0.00 -2.27 0.00 0.00 64.05 60.90 1fwt n THR 2236Cb 0.26 1.03 -0.03 0.00 -2.10 0.00 0.00 70.33 69.49 1fwt n THR 2236CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1fwt s GLN 2237N -0.59 4.43 0.13 -0.78 -0.21 -0.69 -4.83 119.66 117.13 1fwt s GLN 2237Ca 0.00 1.95 -0.30 0.00 0.02 0.00 0.00 55.36 57.03 1fwt s GLN 2237Cb 0.00 -3.23 -0.07 0.00 1.00 0.00 0.00 33.01 30.71 1fwt s GLN 2237CO 0.00 -0.19 1.11 -1.17 -2.12 0.00 0.00 175.29 172.92 1fwt s LEU 2238N -0.00 4.45 0.16 2.90 2.96 -0.06 -4.73 118.68 124.35 1fwt s LEU 2238Ca 0.56 2.02 -0.31 0.00 -0.22 0.00 0.00 54.13 56.17 1fwt s LEU 2238Cb -0.34 -3.59 -0.10 0.00 0.50 0.00 0.00 46.19 42.65 1fwt s LEU 2238CO 0.36 -0.28 1.66 -2.84 -1.32 0.00 0.00 176.35 173.94 1fwt s PRO 2239N 0.13 4.17 0.32 0.98 0.02 -1.26 -0.95 135.00 138.42 1fwt s PRO 2239Ca 0.52 2.47 0.09 0.00 0.02 0.00 0.00 61.00 64.10 1fwt s PRO 2239Cb -0.28 -3.25 0.93 0.00 0.02 0.00 0.00 34.50 31.91 1fwt s PRO 2239CO 0.33 -0.70 1.65 1.25 -0.33 0.00 0.00 177.00 179.20 1fwt h LEU 2240N 7.29 0.28 -1.12 -5.54 6.46 -1.60 0.22 115.31 121.30 1fwt h LEU 2240Ca -0.43 0.20 0.00 0.00 -0.12 0.00 0.00 57.88 57.52 1fwt h LEU 2240Cb 1.20 0.20 0.00 0.00 -0.73 0.00 0.00 40.66 41.33 1fwt h LEU 2240CO 0.93 -0.15 0.00 -1.54 -0.62 0.00 0.00 178.44 177.07 1fwt n SER 2241N -5.13 0.61 -0.48 1.25 3.41 -1.26 -2.02 113.62 109.99 1fwt n SER 2241Ca 0.27 0.72 0.11 0.00 -0.26 0.00 0.00 58.87 59.72 1fwt n SER 2241Cb 0.86 -0.82 0.01 0.00 -0.26 0.00 0.00 64.21 64.00 1fwt n SER 2241CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fwt n GLN 2242N -2.25 1.17 -0.02 4.33 6.02 0.06 -4.52 117.38 122.17 1fwt n GLN 2242Ca 0.00 -0.96 -0.11 0.00 -0.01 0.00 0.00 57.00 55.92 1fwt n GLN 2242Cb 0.12 -1.48 -0.05 0.00 1.02 0.00 0.00 30.24 29.84 1fwt n GLN 2242CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1fwt h LEU 2243N 2.34 0.16 -0.12 1.08 5.85 -1.45 -2.82 115.31 120.35 1fwt h LEU 2243Ca 0.00 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.65 1fwt h LEU 2243Cb 0.74 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 1fwt h LEU 2243CO 0.00 0.23 -0.15 -0.08 -0.34 0.00 0.00 178.44 178.10 1fwt h GLU 2244N 0.09 -0.18 -0.86 1.25 4.81 -1.79 -1.16 114.58 116.72 1fwt h GLU 2244Ca 0.04 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.37 1fwt h GLU 2244Cb 0.11 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.46 1fwt h GLU 2244CO -0.01 -0.12 0.52 0.78 -0.73 0.00 0.00 179.01 179.45 1fwt h GLY 2245N -0.19 1.32 1.33 1.92 0.00 -1.84 -1.02 103.07 104.60 1fwt h GLY 2245Ca 0.09 -0.36 -0.15 0.00 0.00 0.00 0.00 47.33 46.91 1fwt h GLY 2245CO -0.23 0.20 -0.41 -2.22 0.00 0.00 0.00 176.54 173.88 1fwt h ILE 2246N 0.91 1.29 -0.41 2.60 2.04 -1.20 -1.67 117.51 121.06 1fwt h ILE 2246Ca 0.40 -1.59 -0.06 0.00 1.00 0.00 0.00 64.86 64.61 1fwt h ILE 2246Cb 0.27 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 1fwt h ILE 2246CO -0.21 0.51 0.04 0.40 0.00 0.00 0.00 178.15 178.89 1fwt h ILE 2247N 0.60 1.25 -0.51 -0.67 2.04 -0.70 -0.82 117.51 118.70 1fwt h ILE 2247Ca 0.05 -0.93 0.01 0.00 1.00 0.00 0.00 64.86 64.98 1fwt h ILE 2247Cb 0.96 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 1fwt h ILE 2247CO 0.09 0.32 0.34 -0.08 0.00 0.00 0.00 178.15 178.82 1fwt h GLU 2248N 0.54 0.67 -0.19 2.37 4.57 -1.14 -1.45 114.58 119.96 1fwt h GLU 2248Ca 0.12 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.27 1fwt h GLU 2248Cb 0.42 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 1fwt h GLU 2248CO 0.01 0.44 0.10 0.00 -1.18 0.00 0.00 179.01 178.39 1fwt h ALA 2249N 1.19 0.23 0.00 2.92 0.00 -1.03 -1.52 119.26 121.05 1fwt h ALA 2249Ca 0.19 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1fwt h ALA 2249Cb -0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1fwt h ALA 2249CO -0.04 -0.31 -0.30 -0.84 0.00 0.00 0.00 179.25 177.75 1fwt h ILE 2250N 0.22 0.91 -0.33 0.00 3.07 -0.94 -1.51 117.51 118.93 1fwt h ILE 2250Ca 0.07 -1.16 -0.16 0.00 1.55 0.00 0.00 64.86 65.16 1fwt h ILE 2250Cb 0.00 1.69 -0.01 0.00 -0.27 0.00 0.00 36.82 38.23 1fwt h ILE 2250CO -0.04 0.29 -0.43 -0.07 -1.05 0.00 0.00 178.15 176.86 1fwt h LEU 2251N 0.00 0.90 -0.23 0.16 3.38 -0.83 -0.02 115.31 118.67 1fwt h LEU 2251Ca -0.00 -0.43 -0.04 0.00 0.09 0.00 0.00 57.88 57.50 1fwt h LEU 2251Cb 0.66 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1fwt h LEU 2251CO 0.04 1.20 -0.01 -0.33 0.09 0.00 0.00 178.44 179.43 1fwt h GLU 2252N 0.68 0.42 -0.50 1.13 5.08 -0.92 -0.35 114.58 120.12 1fwt h GLU 2252Ca 0.05 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 1fwt h GLU 2252Cb 1.01 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 1fwt h GLU 2252CO 0.10 0.62 0.13 0.82 -1.00 0.00 0.00 179.01 179.67 1fwt h ILE 2253N 0.18 1.24 -0.61 3.13 2.04 -1.24 -2.71 117.51 119.53 1fwt h ILE 2253Ca 0.06 -0.84 0.01 0.00 1.00 0.00 0.00 64.86 65.09 1fwt h ILE 2253Cb 0.43 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1fwt h ILE 2253CO 0.01 0.30 0.41 -0.09 0.00 0.00 0.00 178.15 178.79 1fwt h ARG 2254N 0.69 0.81 -0.49 2.37 2.43 -0.93 0.92 114.38 120.19 1fwt h ARG 2254Ca 0.16 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.36 1fwt h ARG 2254Cb 0.33 -0.18 -0.07 0.00 -0.42 0.00 0.00 29.97 29.63 1fwt h ARG 2254CO 0.00 0.54 0.11 1.49 -1.51 0.00 0.00 179.97 180.60 1fwt h GLU 2255N 0.83 0.24 -0.02 0.20 4.22 -0.76 0.25 114.58 119.55 1fwt h GLU 2255Ca 0.23 -0.01 -0.05 0.00 0.08 0.00 0.00 59.36 59.60 1fwt h GLU 2255Cb -0.10 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1fwt h GLU 2255CO -0.05 0.16 -0.20 0.28 -2.18 0.00 0.00 179.01 177.02 1fwt h VAL 2256N 0.25 1.52 -0.11 0.32 2.07 -1.22 -3.36 116.25 115.73 1fwt h VAL 2256Ca 0.24 -1.82 -0.11 0.00 0.82 0.00 0.00 66.70 65.84 1fwt h VAL 2256Cb 0.32 2.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.72 1fwt h VAL 2256CO -0.31 0.50 -0.43 0.00 0.02 0.00 0.00 177.57 177.35 1fwt h ALA 2257N 0.31 1.08 -0.60 1.67 0.00 -0.65 -3.19 119.26 117.89 1fwt h ALA 2257Ca -0.02 -0.42 0.17 0.00 0.00 0.00 0.00 54.91 54.64 1fwt h ALA 2257Cb 0.92 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1fwt h ALA 2257CO 0.04 0.60 0.60 0.66 0.00 0.00 0.00 179.25 181.15 1fwt h SER 2258N 0.20 0.00 -0.10 0.00 4.64 -0.64 0.34 113.55 117.98 1fwt h SER 2258Ca 0.02 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.37 1fwt h SER 2258Cb 0.84 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1fwt h SER 2258CO 0.07 0.00 0.08 0.50 -0.87 0.00 0.00 176.83 176.60 1fwt h LYS 2259N 0.00 0.00 -0.25 4.77 3.64 -1.76 -2.70 116.57 120.27 1fwt h LYS 2259Ca 0.28 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1fwt h LYS 2259Cb 1.48 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.30 1fwt h LYS 2259CO -0.00 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.84 1fwt n TYR 2260N -4.45 0.31 -1.76 1.91 4.02 0.12 -4.98 117.16 112.33 1fwt n TYR 2260Ca -0.01 -0.19 -0.42 0.00 -0.01 0.00 0.00 57.90 57.28 1fwt n TYR 2260Cb 0.19 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.48 1fwt n TYR 2260CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1fwt s TYR 2261N -1.41 2.89 0.47 -0.72 2.02 -1.02 -4.94 117.35 114.64 1fwt s TYR 2261Ca 0.30 0.47 -0.22 0.00 -0.37 0.00 0.00 57.07 57.25 1fwt s TYR 2261Cb 0.18 -4.10 -0.07 0.00 -0.40 0.00 0.00 41.96 37.57 1fwt s TYR 2261CO 0.26 -4.06 1.13 -1.21 -1.57 0.00 0.00 175.55 170.10 1fwt s GLU 2262N 0.80 3.76 0.01 -0.62 8.01 -1.26 -4.98 118.70 124.41 1fwt s GLU 2262Ca 0.72 1.68 -0.30 0.00 0.01 0.00 0.00 54.97 57.07 1fwt s GLU 2262Cb -0.49 -2.34 -0.05 0.00 -4.31 0.00 0.00 34.13 26.95 1fwt s GLU 2262CO 0.35 -0.53 1.21 0.99 0.01 0.00 0.00 175.26 177.30 1fwt s THR 2263N -1.63 4.11 0.00 3.63 2.01 -1.26 -5.15 115.64 117.34 1fwt s THR 2263Ca 0.64 1.49 0.00 0.00 0.31 0.00 0.00 61.69 64.13 1fwt s THR 2263Cb -0.26 -3.95 0.00 0.00 0.01 0.00 0.00 72.50 68.30 1fwt s THR 2263CO 0.31 0.06 0.00 0.00 -0.69 0.00 0.00 174.62 174.30