#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fwn s LYS 2003N 0.00 2.87 0.26 3.49 -2.85 -1.26 -5.06 119.74 117.20 1fwn s LYS 2003Ca 0.00 -1.21 -0.31 0.00 -1.00 0.00 0.00 55.97 53.45 1fwn s LYS 2003Cb 0.00 -2.67 -0.12 0.00 -2.06 0.00 0.00 37.83 32.98 1fwn s LYS 2003CO 0.00 -0.06 1.57 0.34 0.10 0.00 0.00 175.35 177.31 1fwn n PHE 2004N -1.63 2.67 -3.74 1.78 -0.00 -1.25 -4.66 117.46 110.63 1fwn n PHE 2004Ca 0.02 0.26 -0.37 0.00 -0.00 0.00 0.00 57.45 57.36 1fwn n PHE 2004Cb 0.59 -2.58 -0.06 0.00 -0.00 0.00 0.00 39.48 37.43 1fwn n PHE 2004CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 1fwn s LEU 2005N -0.05 4.38 -0.22 -2.13 2.96 -0.51 -0.98 118.68 122.13 1fwn s LEU 2005Ca 0.67 0.57 -0.01 0.00 -0.22 0.00 0.00 54.13 55.15 1fwn s LEU 2005Cb -0.54 -2.23 0.06 0.00 0.50 0.00 0.00 46.19 43.99 1fwn s LEU 2005CO 0.46 0.34 0.00 -0.69 -1.32 0.00 0.00 176.35 175.14 1fwn s VAL 2006N -0.77 1.00 -0.26 1.68 1.01 -0.43 -0.92 120.40 121.70 1fwn s VAL 2006Ca 0.17 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 61.12 1fwn s VAL 2006Cb -0.13 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1fwn s VAL 2006CO 0.06 -0.21 0.15 -0.63 0.00 0.00 0.00 175.10 174.46 1fwn s ILE 2007N 1.63 4.98 0.12 2.22 1.01 -0.14 -1.21 121.20 129.80 1fwn s ILE 2007Ca -0.02 0.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.58 1fwn s ILE 2007Cb -0.18 -3.35 0.01 0.00 0.01 0.00 0.00 42.46 38.95 1fwn s ILE 2007CO -0.09 0.29 0.27 0.00 0.00 0.00 0.00 174.94 175.42 1fwn s ALA 2008N 1.63 -0.35 0.00 9.38 0.00 -0.54 -0.46 121.76 131.42 1fwn s ALA 2008Ca 0.07 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.48 1fwn s ALA 2008Cb -0.15 0.63 0.00 0.00 0.00 0.00 0.00 23.12 23.60 1fwn s ALA 2008CO 0.08 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 175.67 1fwn n GLY 2009N -0.14 0.93 3.77 0.00 0.00 -1.13 -0.90 105.19 107.71 1fwn n GLY 2009Ca -0.13 -1.44 -0.40 0.00 0.00 0.00 0.00 46.02 44.05 1fwn n GLY 2009CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fwn s PRO 2010N -1.81 4.37 0.15 1.61 0.04 -0.98 -0.45 135.00 137.93 1fwn s PRO 2010Ca 0.00 1.90 -0.26 0.00 0.04 0.00 0.00 61.00 62.68 1fwn s PRO 2010Cb 0.00 -2.97 0.01 0.00 0.04 0.00 0.00 34.50 31.58 1fwn s PRO 2010CO 0.00 -0.06 1.59 0.00 0.04 0.00 0.00 177.00 178.57 1fwn s ALA 2012N -5.95 2.73 -1.17 0.00 0.00 -1.26 -1.31 121.76 114.79 1fwn s ALA 2012Ca -0.15 -1.54 -0.19 0.00 0.00 0.00 0.00 51.96 50.08 1fwn s ALA 2012Cb 0.12 -0.54 0.08 0.00 0.00 0.00 0.00 23.12 22.78 1fwn s ALA 2012CO 0.66 0.46 1.56 0.42 0.00 0.00 0.00 175.76 178.86 1fwn s ILE 2013N -1.64 4.23 -0.23 0.00 1.01 -0.21 -4.74 121.20 119.61 1fwn s ILE 2013Ca 0.22 -1.64 0.28 0.00 0.00 0.00 0.00 60.65 59.52 1fwn s ILE 2013Cb -0.08 -5.08 0.33 0.00 0.01 0.00 0.00 42.46 37.63 1fwn s ILE 2013CO 0.12 -1.90 1.83 -0.33 0.00 0.00 0.00 174.94 174.66 1fwn h GLU 2014N 8.30 0.00 0.00 2.79 5.08 -1.96 -3.41 114.58 125.38 1fwn h GLU 2014Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1fwn h GLU 2014Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1fwn h GLU 2014CO 1.39 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 178.27 1fwn n SER 2015N -2.73 0.00 0.28 1.42 3.41 -1.26 -4.98 113.62 109.76 1fwn n SER 2015Ca 0.02 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 58.82 1fwn n SER 2015Cb 0.32 0.00 0.97 0.00 -0.26 0.00 0.00 64.21 65.24 1fwn n SER 2015CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1fwn h GLU 2016N 0.00 0.00 -0.00 4.33 4.11 -1.94 -0.49 114.58 120.59 1fwn h GLU 2016Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 1fwn h GLU 2016Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1fwn h GLU 2016CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 179.01 180.57 1fwn h GLU 2017N 0.00 0.01 -0.86 1.06 4.81 -1.98 -1.05 114.58 116.57 1fwn h GLU 2017Ca 0.00 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1fwn h GLU 2017Cb 0.09 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.42 1fwn h GLU 2017CO 0.00 0.18 0.55 1.25 -0.73 0.00 0.00 179.01 180.25 1fwn h LEU 2018N -0.17 0.89 -1.07 1.64 5.85 -1.48 -1.83 115.31 119.15 1fwn h LEU 2018Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1fwn h LEU 2018Cb 0.17 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1fwn h LEU 2018CO -0.00 0.60 0.35 -0.07 -0.34 0.00 0.00 178.44 178.98 1fwn h LEU 2019N 1.04 0.91 -0.38 2.25 3.38 -1.14 -1.93 115.31 119.44 1fwn h LEU 2019Ca 0.35 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.15 1fwn h LEU 2019Cb 0.05 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1fwn h LEU 2019CO -0.13 0.76 -0.05 -0.07 0.09 0.00 0.00 178.44 179.05 1fwn h LEU 2020N 1.00 0.69 0.30 1.67 3.38 -0.40 0.41 115.31 122.37 1fwn h LEU 2020Ca 0.25 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1fwn h LEU 2020Cb 0.09 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1fwn h LEU 2020CO -0.03 0.87 -0.15 0.50 0.09 0.00 0.00 178.44 179.71 1fwn h LYS 2021N 0.50 -0.40 -0.76 1.13 3.64 -1.14 -0.43 116.57 119.11 1fwn h LYS 2021Ca 0.10 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 1fwn h LYS 2021Cb 0.54 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 1fwn h LYS 2021CO 0.03 -0.27 0.32 0.28 -2.27 0.00 0.00 179.45 177.55 1fwn h VAL 2022N -0.41 1.25 -0.25 2.00 2.07 -1.32 -2.47 116.25 117.11 1fwn h VAL 2022Ca -0.04 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 1fwn h VAL 2022Cb 0.32 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1fwn h VAL 2022CO 0.06 0.31 0.09 1.23 0.02 0.00 0.00 177.57 179.29 1fwn h GLY 2023N 1.14 0.38 1.03 2.17 0.00 0.23 -1.35 103.07 106.66 1fwn h GLY 2023Ca 0.26 -0.17 -0.08 0.00 0.00 0.00 0.00 47.33 47.34 1fwn h GLY 2023CO -0.03 0.16 0.01 -2.09 0.00 0.00 0.00 176.54 174.59 1fwn h GLU 2024N 0.35 0.92 -0.22 4.80 4.81 -0.61 0.34 114.58 124.98 1fwn h GLU 2024Ca 0.09 -0.29 -0.09 0.00 -0.13 0.00 0.00 59.36 58.94 1fwn h GLU 2024Cb 0.09 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1fwn h GLU 2024CO -0.01 0.94 -0.21 1.49 -0.73 0.00 0.00 179.01 180.49 1fwn h GLU 2025N 0.80 0.53 0.00 1.92 4.57 -1.36 -0.79 114.58 120.25 1fwn h GLU 2025Ca 0.15 -0.28 -0.03 0.00 -1.18 0.00 0.00 59.36 58.02 1fwn h GLU 2025Cb 0.52 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.11 1fwn h GLU 2025CO 0.03 0.86 -0.16 0.82 -1.18 0.00 0.00 179.01 179.38 1fwn h ILE 2026N 0.21 0.98 -0.24 2.32 2.04 -1.17 -0.44 117.51 121.21 1fwn h ILE 2026Ca 0.03 -0.56 -0.10 0.00 1.00 0.00 0.00 64.86 65.23 1fwn h ILE 2026Cb 0.76 1.32 -0.00 0.00 -0.74 0.00 0.00 36.82 38.16 1fwn h ILE 2026CO 0.05 0.15 -0.26 0.50 0.00 0.00 0.00 178.15 178.60 1fwn h LYS 2027N 0.00 0.59 0.25 2.37 1.63 -0.61 -0.83 116.57 119.97 1fwn h LYS 2027Ca -0.00 -0.32 -0.01 0.00 -0.85 0.00 0.00 60.65 59.46 1fwn h LYS 2027Cb 0.30 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 1fwn h LYS 2027CO 0.02 0.92 -0.12 -0.09 -3.45 0.00 0.00 179.45 176.73 1fwn h ARG 2028N 0.29 -0.33 -0.37 1.90 2.43 -0.17 -1.78 114.38 116.36 1fwn h ARG 2028Ca 0.03 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1fwn h ARG 2028Cb 0.82 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.43 1fwn h ARG 2028CO 0.06 -0.20 0.25 -0.07 -1.51 0.00 0.00 179.97 178.50 1fwn h LEU 2029N -0.37 0.35 -1.11 3.80 4.07 -1.15 -0.07 115.31 120.83 1fwn h LEU 2029Ca -0.03 -0.01 0.02 0.00 0.08 0.00 0.00 57.88 57.94 1fwn h LEU 2029Cb 0.28 -0.08 -0.05 0.00 1.08 0.00 0.00 40.66 41.89 1fwn h LEU 2029CO 0.06 0.24 0.61 -1.28 -1.08 0.00 0.00 178.44 176.99 1fwn h SER 2030N 0.41 1.03 1.43 -0.43 0.87 -0.33 0.13 113.55 116.66 1fwn h SER 2030Ca 0.15 -0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.59 1fwn h SER 2030Cb 0.09 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 1fwn h SER 2030CO -0.03 0.73 -0.47 -0.33 -0.53 0.00 0.00 176.83 176.20 1fwn h GLU 2031N 1.20 0.00 0.18 2.24 4.39 -0.30 -3.31 114.58 118.98 1fwn h GLU 2031Ca 0.35 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.74 1fwn h GLU 2031Cb -0.07 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.59 1fwn h GLU 2031CO -0.09 0.47 -1.39 -0.22 -1.16 0.00 0.00 179.01 176.62 1fwn h LYS 2032N 0.00 0.37 -2.88 2.33 3.64 -0.22 -3.39 116.57 116.43 1fwn h LYS 2032Ca -0.00 -0.64 -0.66 0.00 -1.27 0.00 0.00 60.65 58.07 1fwn h LYS 2032Cb 1.31 0.24 -0.38 0.00 -0.41 0.00 0.00 32.23 32.98 1fwn h LYS 2032CO 0.06 1.30 -0.26 1.19 -2.27 0.00 0.00 179.45 179.46 1fwn n PHE 2033N -3.59 3.60 0.30 1.91 3.01 0.37 -4.91 117.46 118.15 1fwn n PHE 2033Ca -0.13 -4.02 0.18 0.00 1.01 0.00 0.00 57.45 54.49 1fwn n PHE 2033Cb 1.06 -0.85 1.01 0.00 -0.01 0.00 0.00 39.48 40.69 1fwn n PHE 2033CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1fwn h LYS 2034N 5.23 0.00 -0.00 -1.08 1.79 -1.77 -1.35 116.57 119.39 1fwn h LYS 2034Ca 0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1fwn h LYS 2034Cb 0.73 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.38 1fwn h LYS 2034CO 0.87 0.00 -0.02 -1.91 -1.08 0.00 0.00 179.45 177.31 1fwn n GLU 2035N -3.52 0.22 -4.14 3.15 4.07 -1.26 -4.79 120.64 114.37 1fwn n GLU 2035Ca -0.02 -0.01 -0.36 0.00 -0.06 0.00 0.00 57.16 56.71 1fwn n GLU 2035Cb 0.13 -1.50 -0.08 0.00 -0.06 0.00 0.00 31.44 29.92 1fwn n GLU 2035CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1fwn s VAL 2036N -2.79 4.79 -0.42 6.31 1.01 -0.51 -3.91 120.40 124.89 1fwn s VAL 2036Ca 0.21 -0.06 -0.17 0.00 0.00 0.00 0.00 61.98 61.96 1fwn s VAL 2036Cb 0.20 -3.07 0.02 0.00 0.00 0.00 0.00 36.38 33.53 1fwn s VAL 2036CO 0.50 0.58 0.40 -0.70 0.00 0.00 0.00 175.10 175.88 1fwn s GLU 2037N -0.69 3.06 0.14 2.72 2.12 -0.15 -4.98 118.70 120.92 1fwn s GLU 2037Ca 0.12 -0.84 -0.14 0.00 0.36 0.00 0.00 54.97 54.47 1fwn s GLU 2037Cb -0.12 -3.97 -0.07 0.00 0.26 0.00 0.00 34.13 30.23 1fwn s GLU 2037CO 0.02 -0.82 0.54 -0.06 -0.54 0.00 0.00 175.26 174.40 1fwn s PHE 2038N 2.00 3.61 -0.05 5.30 0.40 -1.26 -1.32 117.98 126.65 1fwn s PHE 2038Ca 0.10 1.04 -0.01 0.00 -0.60 0.00 0.00 56.93 57.46 1fwn s PHE 2038Cb -0.18 -2.35 0.03 0.00 0.51 0.00 0.00 43.02 41.03 1fwn s PHE 2038CO 0.13 0.44 0.02 0.08 0.70 0.00 0.00 175.22 176.59 1fwn s VAL 2039N -1.46 0.16 0.06 -0.44 1.01 -0.35 -4.23 120.40 115.16 1fwn s VAL 2039Ca 0.37 0.23 -0.30 0.00 0.00 0.00 0.00 61.98 62.28 1fwn s VAL 2039Cb -0.15 -0.35 -0.05 0.00 0.00 0.00 0.00 36.38 35.84 1fwn s VAL 2039CO 0.19 0.21 1.00 0.12 0.00 0.00 0.00 175.10 176.63 1fwn s PHE 2040N 1.89 3.69 0.02 5.22 5.36 -0.38 -1.47 117.98 132.32 1fwn s PHE 2040Ca 0.03 1.69 0.04 0.00 -0.96 0.00 0.00 56.93 57.73 1fwn s PHE 2040Cb -0.12 -3.14 -0.02 0.00 -0.34 0.00 0.00 43.02 39.40 1fwn s PHE 2040CO -0.04 -0.10 -0.12 -1.59 -1.46 0.00 0.00 175.22 171.91 1fwn s LYS 2041N 0.52 0.88 -0.29 10.12 0.00 -0.08 -1.34 119.74 129.55 1fwn s LYS 2041Ca 0.50 -0.64 -0.25 0.00 0.00 0.00 0.00 55.97 55.59 1fwn s LYS 2041Cb -0.23 -0.86 0.14 0.00 0.00 0.00 0.00 37.83 36.88 1fwn s LYS 2041CO 0.29 0.22 1.16 0.45 0.00 0.00 0.00 175.35 177.47 1fwn s SER 2042N -0.89 -0.33 -0.05 0.03 0.15 -1.18 -3.45 113.70 107.98 1fwn s SER 2042Ca 0.01 0.64 -0.18 0.00 0.70 0.00 0.00 55.95 57.12 1fwn s SER 2042Cb -0.07 0.64 -0.05 0.00 -1.71 0.00 0.00 66.02 64.84 1fwn s SER 2042CO 0.01 -0.11 0.50 -0.44 1.20 0.00 0.00 173.24 174.40 1fwn s SER 2043N 0.16 6.82 0.14 5.45 0.01 -0.43 -4.55 113.70 121.30 1fwn s SER 2043Ca 0.04 0.98 0.26 0.00 1.31 0.00 0.00 55.95 58.54 1fwn s SER 2043Cb -0.05 -2.31 0.77 0.00 0.21 0.00 0.00 66.02 64.64 1fwn s SER 2043CO -0.09 0.12 1.68 2.22 0.41 0.00 0.00 173.24 177.58 1fwn n PHE 2044N 2.88 0.62 -3.66 2.43 1.16 -1.26 -1.05 117.46 118.58 1fwn n PHE 2044Ca -0.09 0.18 -0.08 0.00 -1.87 0.00 0.00 57.45 55.59 1fwn n PHE 2044Cb 0.52 -0.75 -0.08 0.00 -1.61 0.00 0.00 39.48 37.55 1fwn n PHE 2044CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1fwn s ASP 2045N -4.08 -0.76 -0.97 5.98 2.15 -1.26 -3.75 116.67 113.98 1fwn s ASP 2045Ca 0.10 1.26 -0.15 0.00 0.43 0.00 0.00 52.55 54.20 1fwn s ASP 2045Cb 0.14 1.21 0.19 0.00 -0.30 0.00 0.00 42.92 44.17 1fwn s ASP 2045CO 0.62 -0.22 1.05 -0.54 -0.17 0.00 0.00 175.17 175.91 1fwn s LYS 2046N 1.67 3.79 0.00 4.34 -0.14 0.26 -4.86 119.74 124.80 1fwn s LYS 2046Ca -0.09 -2.39 0.30 0.00 -1.36 0.00 0.00 55.97 52.42 1fwn s LYS 2046Cb -0.07 -4.71 1.62 0.00 -1.68 0.00 0.00 37.83 33.00 1fwn s LYS 2046CO -0.17 -1.51 2.07 0.00 -0.76 0.00 0.00 175.35 174.98 1fwn n ALA 2047N 4.83 2.52 -1.86 5.17 0.00 -1.26 -3.96 120.51 125.95 1fwn n ALA 2047Ca 0.22 -0.16 0.05 0.00 0.00 0.00 0.00 53.44 53.56 1fwn n ALA 2047Cb 0.46 -1.48 0.13 0.00 0.00 0.00 0.00 19.45 18.55 1fwn n ALA 2047CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1fwn n ASN 2048N -1.15 1.43 -4.72 0.00 2.04 -1.26 -5.09 115.26 106.51 1fwn n ASN 2048Ca 0.18 -3.06 -0.37 0.00 -0.44 0.00 0.00 54.58 50.89 1fwn n ASN 2048Cb 0.17 -0.42 0.07 0.00 -2.53 0.00 0.00 39.78 37.07 1fwn n ASN 2048CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1fwn n ARG 2049N -0.55 1.08 -0.14 -3.83 5.12 -1.25 -4.92 116.66 112.17 1fwn n ARG 2049Ca 0.13 0.42 -0.10 0.00 -1.93 0.00 0.00 57.85 56.37 1fwn n ARG 2049Cb 0.83 -2.50 -0.01 0.00 -1.16 0.00 0.00 32.46 29.62 1fwn n ARG 2049CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 1fwn h SER 2050N 0.50 0.71 -2.75 0.55 0.02 -1.98 -3.44 113.55 107.16 1fwn h SER 2050Ca -0.51 -0.32 -0.65 0.00 -0.84 0.00 0.00 61.79 59.47 1fwn h SER 2050Cb 1.34 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 63.63 1fwn h SER 2050CO 0.53 0.86 -0.46 -0.55 -1.14 0.00 0.00 176.83 176.06 1fwn s SER 2051N -6.24 6.41 0.56 3.07 0.15 -1.26 -4.98 113.70 111.41 1fwn s SER 2051Ca -0.13 0.46 0.34 0.00 0.70 0.00 0.00 55.95 57.33 1fwn s SER 2051Cb 0.10 -2.06 1.45 0.00 -1.71 0.00 0.00 66.02 63.80 1fwn s SER 2051CO 0.80 0.34 2.02 -0.29 1.20 0.00 0.00 173.24 177.30 1fwn h ILE 2052N 3.46 0.02 -0.43 6.45 6.09 -2.03 -2.79 117.51 128.28 1fwn h ILE 2052Ca -0.52 -0.49 0.00 0.00 -1.37 0.00 0.00 64.86 62.48 1fwn h ILE 2052Cb 1.21 1.47 0.00 0.00 0.47 0.00 0.00 36.82 39.97 1fwn h ILE 2052CO 0.63 0.01 0.00 1.41 -3.07 0.00 0.00 178.15 177.13 1fwn n HIS 2053N -3.11 0.57 -2.97 2.19 8.25 -1.26 -4.95 115.22 113.95 1fwn n HIS 2053Ca 0.00 -0.29 -0.25 0.00 -0.26 0.00 0.00 57.72 56.93 1fwn n HIS 2053Cb 0.29 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.40 1fwn n HIS 2053CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1fwn s SER 2054N -1.10 6.16 0.12 0.41 0.01 -1.06 -5.04 113.70 113.20 1fwn s SER 2054Ca 0.32 0.62 -0.31 0.00 1.31 0.00 0.00 55.95 57.89 1fwn s SER 2054Cb 0.17 -2.00 -0.09 0.00 0.21 0.00 0.00 66.02 64.31 1fwn s SER 2054CO 0.23 -0.52 1.52 0.12 0.41 0.00 0.00 173.24 174.99 1fwn s PHE 2055N -2.56 2.98 -0.17 2.43 5.36 -1.26 -4.92 117.98 119.84 1fwn s PHE 2055Ca 0.45 0.68 -0.07 0.00 -0.96 0.00 0.00 56.93 57.03 1fwn s PHE 2055Cb -0.10 -3.84 -0.08 0.00 -0.34 0.00 0.00 43.02 38.66 1fwn s PHE 2055CO 0.40 -3.12 -0.21 0.54 -1.46 0.00 0.00 175.22 171.37 1fwn n ARG 2056N 4.37 0.38 -1.99 10.12 1.74 -1.26 -4.69 116.66 125.33 1fwn n ARG 2056Ca 0.13 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.37 1fwn n ARG 2056Cb 0.40 -1.15 0.00 0.00 -1.02 0.00 0.00 32.46 30.69 1fwn n ARG 2056CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fwn n GLY 2057N 2.04 -0.20 1.10 -0.13 0.00 -1.26 -0.58 105.19 106.17 1fwn n GLY 2057Ca -0.33 -1.57 0.08 0.00 0.00 0.00 0.00 46.02 44.20 1fwn n GLY 2057CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1fwn n HIS 2058N 8.89 0.96 0.00 1.61 8.25 -1.25 -5.05 115.22 128.63 1fwn n HIS 2058Ca 0.00 -0.61 0.00 0.00 -0.26 0.00 0.00 57.72 56.85 1fwn n HIS 2058Cb 0.00 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 30.96 1fwn n HIS 2058CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1fwn n GLY 2059N 0.69 1.77 0.23 -1.41 0.00 -1.25 -4.44 105.19 100.78 1fwn n GLY 2059Ca 0.20 -1.91 -0.10 0.00 0.00 0.00 0.00 46.02 44.21 1fwn n GLY 2059CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1fwn h LEU 2060N 0.00 0.72 0.54 0.99 5.85 -1.98 -2.23 115.31 119.20 1fwn h LEU 2060Ca 0.00 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 1fwn h LEU 2060Cb 0.00 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 40.84 1fwn h LEU 2060CO 0.00 0.85 -0.26 -0.33 -0.34 0.00 0.00 178.44 178.36 1fwn h GLU 2061N 0.57 -0.70 -0.72 1.25 5.08 -1.97 0.85 114.58 118.94 1fwn h GLU 2061Ca 0.12 0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.60 1fwn h GLU 2061Cb 0.48 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.83 1fwn h GLU 2061CO 0.02 -0.45 0.40 -0.92 -1.00 0.00 0.00 179.01 177.06 1fwn h TYR 2062N -0.75 0.74 0.27 4.33 3.20 -1.77 -1.04 116.97 121.94 1fwn h TYR 2062Ca -0.07 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 1fwn h TYR 2062Cb 0.57 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.62 1fwn h TYR 2062CO -0.03 0.33 -0.13 0.78 -1.64 0.00 0.00 178.16 177.47 1fwn h GLY 2063N 0.72 -0.37 1.24 1.82 0.00 -1.16 -0.19 103.07 105.13 1fwn h GLY 2063Ca 0.33 0.14 0.04 0.00 0.00 0.00 0.00 47.33 47.84 1fwn h GLY 2063CO -0.21 -0.14 0.43 -2.08 0.00 0.00 0.00 176.54 174.54 1fwn h VAL 2064N -0.38 1.08 -0.07 4.60 2.07 -0.55 -0.33 116.25 122.68 1fwn h VAL 2064Ca -0.04 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1fwn h VAL 2064Cb 0.29 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1fwn h VAL 2064CO 0.06 0.14 -0.01 0.50 0.02 0.00 0.00 177.57 178.27 1fwn h LYS 2065N 0.75 0.13 -0.97 1.57 3.64 -0.89 -0.99 116.57 119.80 1fwn h LYS 2065Ca 0.26 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.61 1fwn h LYS 2065Cb 0.10 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.86 1fwn h LYS 2065CO -0.07 0.45 0.64 0.00 -2.27 0.00 0.00 179.45 178.20 1fwn h ALA 2066N 0.67 1.25 -0.67 5.00 0.00 -0.54 -1.49 119.26 123.49 1fwn h ALA 2066Ca 0.02 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1fwn h ALA 2066Cb 0.40 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1fwn h ALA 2066CO 0.01 0.59 0.14 -0.07 0.00 0.00 0.00 179.25 179.92 1fwn h LEU 2067N 1.29 1.04 -0.20 0.00 4.07 -0.97 -2.48 115.31 118.05 1fwn h LEU 2067Ca 0.37 -0.25 0.03 0.00 0.08 0.00 0.00 57.88 58.11 1fwn h LEU 2067Cb -0.10 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.34 1fwn h LEU 2067CO -0.09 1.01 0.01 0.03 -1.08 0.00 0.00 178.44 178.32 1fwn h ARG 2068N 1.01 0.08 -0.71 1.13 3.08 -0.40 -1.83 114.38 116.74 1fwn h ARG 2068Ca 0.21 -0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.39 1fwn h ARG 2068Cb 0.40 -0.02 -0.10 0.00 0.08 0.00 0.00 29.97 30.33 1fwn h ARG 2068CO 0.01 0.05 0.21 -0.22 -1.07 0.00 0.00 179.97 178.95 1fwn h LYS 2069N 0.08 0.32 -0.20 0.04 1.63 -0.95 0.20 116.57 117.69 1fwn h LYS 2069Ca 0.09 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.87 1fwn h LYS 2069Cb 0.11 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.66 1fwn h LYS 2069CO -0.15 0.21 0.10 0.28 -3.45 0.00 0.00 179.45 176.45 1fwn h VAL 2070N 0.33 1.12 -0.20 2.00 2.07 -0.98 0.16 116.25 120.76 1fwn h VAL 2070Ca 0.39 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 67.52 1fwn h VAL 2070Cb 0.61 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1fwn h VAL 2070CO -0.44 0.12 -0.09 0.50 0.02 0.00 0.00 177.57 177.68 1fwn h LYS 2071N 0.21 0.30 0.00 1.57 3.64 -0.45 -1.06 116.57 120.78 1fwn h LYS 2071Ca 0.07 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 1fwn h LYS 2071Cb 0.10 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1fwn h LYS 2071CO -0.01 0.41 -0.36 0.93 -2.27 0.00 0.00 179.45 178.15 1fwn h GLU 2072N 0.29 0.24 -0.05 1.90 5.08 -0.27 -0.08 114.58 121.69 1fwn h GLU 2072Ca 0.06 -0.26 -0.16 0.00 -1.00 0.00 0.00 59.36 58.00 1fwn h GLU 2072Cb 0.35 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1fwn h GLU 2072CO 0.02 0.98 -0.69 0.93 -1.00 0.00 0.00 179.01 179.25 1fwn h GLU 2073N -0.39 0.25 -0.00 2.33 5.08 -0.64 -3.36 114.58 117.84 1fwn h GLU 2073Ca -0.04 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1fwn h GLU 2073Cb 1.10 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1fwn h GLU 2073CO 0.07 0.84 -0.12 1.19 -1.00 0.00 0.00 179.01 179.99 1fwn n PHE 2074N -3.81 0.00 -3.43 4.33 3.72 -0.41 -5.02 117.46 112.84 1fwn n PHE 2074Ca -0.03 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.17 1fwn n PHE 2074Cb 0.68 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 39.29 1fwn n PHE 2074CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1fwn n GLY 2075N 0.89 -0.34 3.77 1.37 0.00 -0.04 -5.00 105.19 105.83 1fwn n GLY 2075Ca 0.01 0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1fwn n GLY 2075CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fwn s LEU 2076N -6.41 3.90 0.71 0.99 1.43 -1.25 -5.04 118.68 113.01 1fwn s LEU 2076Ca 0.45 0.23 -0.14 0.00 -1.03 0.00 0.00 54.13 53.64 1fwn s LEU 2076Cb -0.20 -2.03 0.03 0.00 0.03 0.00 0.00 46.19 44.01 1fwn s LEU 2076CO 0.63 0.35 1.14 -0.54 0.23 0.00 0.00 176.35 178.16 1fwn s LYS 2077N -1.20 2.43 0.13 1.70 1.02 -1.26 -4.42 119.74 118.14 1fwn s LYS 2077Ca 0.17 1.48 0.06 0.00 0.02 0.00 0.00 55.97 57.70 1fwn s LYS 2077Cb -0.12 -1.90 -0.04 0.00 -0.52 0.00 0.00 37.83 35.26 1fwn s LYS 2077CO 0.06 -1.56 -0.15 0.42 -0.92 0.00 0.00 175.35 173.21 1fwn s ILE 2078N -2.32 1.43 -0.13 2.17 1.01 -1.26 -1.25 121.20 120.84 1fwn s ILE 2078Ca 0.68 -1.73 -0.13 0.00 0.00 0.00 0.00 60.65 59.48 1fwn s ILE 2078Cb -0.23 -1.57 0.04 0.00 0.01 0.00 0.00 42.46 40.71 1fwn s ILE 2078CO 0.45 -0.37 0.37 0.28 0.00 0.00 0.00 174.94 175.67 1fwn s THR 2079N -2.04 0.00 0.14 2.92 -1.32 -0.45 0.44 115.64 115.32 1fwn s THR 2079Ca 0.10 -0.02 -0.16 0.00 -1.21 0.00 0.00 61.69 60.40 1fwn s THR 2079Cb -0.05 -0.52 0.03 0.00 -1.51 0.00 0.00 72.50 70.44 1fwn s THR 2079CO 0.04 -0.01 0.42 0.28 -2.21 0.00 0.00 174.62 173.13 1fwn s THR 2080N 0.13 0.06 0.09 5.08 -1.32 -1.21 -3.12 115.64 115.35 1fwn s THR 2080Ca -0.01 -0.64 -0.01 0.00 -1.21 0.00 0.00 61.69 59.83 1fwn s THR 2080Cb -0.03 -1.26 -0.04 0.00 -1.51 0.00 0.00 72.50 69.66 1fwn s THR 2080CO 0.01 -0.28 0.26 1.51 -2.21 0.00 0.00 174.62 173.90 1fwn s ASP 2081N -2.82 6.39 0.21 8.08 -4.77 -1.26 -1.31 116.67 121.19 1fwn s ASP 2081Ca 0.04 0.35 0.08 0.00 -3.30 0.00 0.00 52.55 49.73 1fwn s ASP 2081Cb 0.01 -1.99 -0.04 0.00 -1.09 0.00 0.00 42.92 39.81 1fwn s ASP 2081CO -0.10 0.13 0.00 0.27 0.70 0.00 0.00 175.17 176.17 1fwn s ILE 2082N -1.56 3.61 0.00 2.11 -4.36 -0.90 -4.78 121.20 115.32 1fwn s ILE 2082Ca 0.37 -1.62 0.00 0.00 -0.26 0.00 0.00 60.65 59.13 1fwn s ILE 2082Cb -0.13 -2.86 0.00 0.00 1.25 0.00 0.00 42.46 40.72 1fwn s ILE 2082CO 0.27 -0.22 0.00 1.41 0.24 0.00 0.00 174.94 176.64 1fwn n HIS 2083N -0.45 0.00 -3.92 1.37 8.25 -1.26 -4.39 115.22 114.82 1fwn n HIS 2083Ca -0.09 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.27 1fwn n HIS 2083Cb 0.57 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.57 1fwn n HIS 2083CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1fwn s GLU 2084N -1.44 0.33 0.26 -0.41 2.02 -1.26 -5.07 118.70 113.12 1fwn s GLU 2084Ca 0.00 -0.41 -0.06 0.00 0.02 0.00 0.00 54.97 54.52 1fwn s GLU 2084Cb 0.00 0.13 0.48 0.00 0.10 0.00 0.00 34.13 34.84 1fwn s GLU 2084CO 0.00 -0.06 1.62 0.77 0.02 0.00 0.00 175.26 177.60 1fwn h SER 2085N 4.78 -0.44 -0.54 -0.19 0.02 -1.91 -1.50 113.55 113.77 1fwn h SER 2085Ca -0.30 0.22 0.16 0.00 -0.84 0.00 0.00 61.79 61.03 1fwn h SER 2085Cb 1.20 0.40 -0.02 0.00 0.14 0.00 0.00 62.40 64.12 1fwn h SER 2085CO 0.42 -0.22 0.41 4.11 -1.14 0.00 0.00 176.83 180.40 1fwn h TRP 2086N 0.07 0.00 0.00 3.45 5.08 -1.97 -1.97 115.95 120.61 1fwn h TRP 2086Ca 0.44 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 60.41 1fwn h TRP 2086Cb 0.79 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.95 1fwn h TRP 2086CO -0.47 0.00 -0.02 1.96 -1.28 0.00 0.00 178.44 178.63 1fwn h GLN 2087N 0.00 0.00 -0.05 0.12 4.20 -1.70 -3.33 115.11 114.34 1fwn h GLN 2087Ca 0.26 0.00 0.04 0.00 0.06 0.00 0.00 58.65 59.01 1fwn h GLN 2087Cb 1.07 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.80 1fwn h GLN 2087CO -0.00 0.02 -0.25 0.00 -0.67 0.00 0.00 178.83 177.93 1fwn h ALA 2088N 1.98 -0.29 0.66 3.87 0.00 -1.50 -2.20 119.26 121.78 1fwn h ALA 2088Ca -0.00 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1fwn h ALA 2088Cb 0.51 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1fwn h ALA 2088CO 0.00 -0.73 -0.41 1.49 0.00 0.00 0.00 179.25 179.60 1fwn h GLU 2089N -0.36 -0.97 -0.69 0.00 4.81 -1.79 -0.74 114.58 114.84 1fwn h GLU 2089Ca 0.08 0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.41 1fwn h GLU 2089Cb 0.46 0.22 -0.04 0.00 0.63 0.00 0.00 28.75 30.02 1fwn h GLU 2089CO -0.25 -0.64 0.46 -1.00 -0.73 0.00 0.00 179.01 176.84 1fwn h PRO 2090N -1.00 0.80 -0.37 0.92 0.13 -1.76 -2.38 132.00 128.34 1fwn h PRO 2090Ca -0.08 -0.05 -0.13 0.00 -0.87 0.00 0.00 66.00 64.87 1fwn h PRO 2090Cb 0.81 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.75 1fwn h PRO 2090CO 0.08 0.53 -0.31 0.28 -0.23 0.00 0.00 178.00 178.36 1fwn h VAL 2091N 0.82 1.28 0.00 1.56 2.07 -1.27 -2.84 116.25 117.86 1fwn h VAL 2091Ca 0.28 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.34 1fwn h VAL 2091Cb 0.08 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1fwn h VAL 2091CO -0.08 0.48 0.09 0.00 0.02 0.00 0.00 177.57 178.08 1fwn h ALA 2092N 0.97 1.08 -0.43 1.67 0.00 -0.58 -0.89 119.26 121.08 1fwn h ALA 2092Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1fwn h ALA 2092Cb 0.85 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1fwn h ALA 2092CO 0.07 -0.08 0.28 0.93 0.00 0.00 0.00 179.25 180.45 1fwn h GLU 2093N 0.00 0.56 0.00 0.00 4.39 -1.50 -3.32 114.58 114.71 1fwn h GLU 2093Ca 0.00 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 1fwn h GLU 2093Cb 0.17 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1fwn h GLU 2093CO 0.00 0.38 -1.22 0.28 -1.16 0.00 0.00 179.01 177.29 1fwn n VAL 2094N -4.47 0.22 -2.40 3.13 0.31 -0.74 -5.02 118.33 109.36 1fwn n VAL 2094Ca 0.03 -0.12 -0.43 0.00 -0.01 0.00 0.00 64.34 63.82 1fwn n VAL 2094Cb 0.06 -0.84 -0.02 0.00 -0.91 0.00 0.00 33.84 32.13 1fwn n VAL 2094CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fwn s ALA 2095N -2.08 3.64 0.15 3.52 0.00 -0.42 -4.47 121.76 122.10 1fwn s ALA 2095Ca -0.03 0.51 0.02 0.00 0.00 0.00 0.00 51.96 52.46 1fwn s ALA 2095Cb 0.01 -3.61 -0.06 0.00 0.00 0.00 0.00 23.12 19.46 1fwn s ALA 2095CO 0.12 -1.13 1.34 -0.44 0.00 0.00 0.00 175.76 175.65 1fwn h ASP 2096N 8.16 0.24 -3.30 0.00 3.32 -0.33 -3.43 116.42 121.08 1fwn h ASP 2096Ca -0.28 -0.20 -0.52 0.00 0.02 0.00 0.00 57.03 56.05 1fwn h ASP 2096Cb 1.11 -0.07 -0.35 0.00 0.22 0.00 0.00 39.33 40.24 1fwn h ASP 2096CO 0.96 1.04 -0.81 -0.63 -1.72 0.00 0.00 179.24 178.08 1fwn s ILE 2097N -3.09 1.06 -0.20 0.35 1.01 -0.66 -2.45 121.20 117.22 1fwn s ILE 2097Ca -0.02 -0.37 -0.17 0.00 0.00 0.00 0.00 60.65 60.09 1fwn s ILE 2097Cb 0.10 -1.03 -0.04 0.00 0.01 0.00 0.00 42.46 41.50 1fwn s ILE 2097CO 0.83 0.36 0.43 -0.63 0.00 0.00 0.00 174.94 175.93 1fwn s ILE 2098N 1.21 5.17 -0.11 2.92 1.01 0.53 -3.31 121.20 128.62 1fwn s ILE 2098Ca -0.04 0.78 -0.13 0.00 0.00 0.00 0.00 60.65 61.25 1fwn s ILE 2098Cb -0.14 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.52 1fwn s ILE 2098CO -0.03 0.24 0.31 -1.58 0.00 0.00 0.00 174.94 173.88 1fwn s GLN 2099N 1.36 4.07 -0.26 2.79 0.74 -0.43 -0.83 119.66 127.10 1fwn s GLN 2099Ca 0.21 0.16 -0.08 0.00 0.05 0.00 0.00 55.36 55.70 1fwn s GLN 2099Cb -0.15 -3.35 -0.03 0.00 1.10 0.00 0.00 33.01 30.59 1fwn s GLN 2099CO 0.08 0.41 0.10 0.42 -0.55 0.00 0.00 175.29 175.76 1fwn s ILE 2100N -0.09 4.49 0.56 -2.34 -1.09 0.44 -2.11 121.20 121.06 1fwn s ILE 2100Ca 0.19 -0.17 -0.20 0.00 -2.23 0.00 0.00 60.65 58.24 1fwn s ILE 2100Cb -0.14 -3.14 -0.06 0.00 -1.58 0.00 0.00 42.46 37.54 1fwn s ILE 2100CO 0.06 0.28 0.97 -2.65 -1.23 0.00 0.00 174.94 172.37 1fwn n PRO 2101N 4.95 1.01 -0.02 2.79 -0.02 -1.26 -1.12 135.00 141.33 1fwn n PRO 2101Ca -0.15 0.38 -0.09 0.00 -2.02 0.00 0.00 63.50 61.62 1fwn n PRO 2101Cb 0.51 -2.14 -0.03 0.00 -0.02 0.00 0.00 33.50 31.82 1fwn n PRO 2101CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fwn h ALA 2102N 0.74 0.02 0.00 3.55 0.00 -1.90 -1.34 119.26 120.33 1fwn h ALA 2102Ca -0.48 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1fwn h ALA 2102Cb 1.36 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 1fwn h ALA 2102CO 0.52 -0.55 -0.03 0.74 0.00 0.00 0.00 179.25 179.93 1fwn h PHE 2103N -0.11 0.00 -0.65 0.00 0.04 -1.91 -2.67 116.94 111.63 1fwn h PHE 2103Ca 0.10 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.87 1fwn h PHE 2103Cb 0.26 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.41 1fwn h PHE 2103CO -0.25 0.03 0.00 1.28 -0.60 0.00 0.00 178.31 178.77 1fwn n LEU 2104N -3.74 4.25 0.03 1.54 4.77 -0.56 -4.58 117.00 118.72 1fwn n LEU 2104Ca -0.03 -2.23 0.05 0.00 -0.03 0.00 0.00 56.01 53.77 1fwn n LEU 2104Cb 0.12 -0.51 0.25 0.00 -2.33 0.00 0.00 43.42 40.95 1fwn n LEU 2104CO 0.28 0.88 0.67 0.00 -1.33 0.00 0.00 177.39 177.89 1fwn n ARG 2106N -1.68 1.17 -2.57 0.00 1.74 -1.26 -4.89 116.66 109.16 1fwn n ARG 2106Ca 0.01 -1.43 -0.41 0.00 -0.77 0.00 0.00 57.85 55.25 1fwn n ARG 2106Cb 0.10 -1.27 -0.03 0.00 -1.02 0.00 0.00 32.46 30.24 1fwn n ARG 2106CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1fwn s GLN 2107N -1.10 3.33 0.21 5.56 -1.52 -0.86 -4.90 119.66 120.38 1fwn s GLN 2107Ca 0.18 -0.59 -0.18 0.00 -1.95 0.00 0.00 55.36 52.82 1fwn s GLN 2107Cb 0.12 -4.59 0.19 0.00 -0.22 0.00 0.00 33.01 28.51 1fwn s GLN 2107CO 0.17 -2.15 1.59 1.15 -0.25 0.00 0.00 175.29 175.80 1fwn h THR 2108N 6.28 0.17 -0.59 -0.19 2.02 -1.90 -1.92 112.91 116.79 1fwn h THR 2108Ca -0.11 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.10 1fwn h THR 2108Cb 1.04 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 1fwn h THR 2108CO 1.32 0.00 0.39 0.44 0.37 0.00 0.00 175.52 178.04 1fwn h ASP 2109N -0.09 0.61 -0.36 4.18 3.32 -1.99 -0.65 116.42 121.44 1fwn h ASP 2109Ca 0.29 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.22 1fwn h ASP 2109Cb 0.56 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1fwn h ASP 2109CO -0.75 0.43 -0.19 0.25 -1.72 0.00 0.00 179.24 177.26 1fwn h LEU 2110N 0.71 0.80 -0.54 1.55 5.85 -1.74 0.13 115.31 122.07 1fwn h LEU 2110Ca 0.23 -0.41 -0.05 0.00 0.84 0.00 0.00 57.88 58.49 1fwn h LEU 2110Cb 0.04 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1fwn h LEU 2110CO -0.06 1.03 0.15 -0.07 -0.34 0.00 0.00 178.44 179.16 1fwn h LEU 2111N 0.56 0.80 -0.41 2.25 3.38 -1.06 -1.60 115.31 119.23 1fwn h LEU 2111Ca 0.08 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 1fwn h LEU 2111Cb 0.74 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1fwn h LEU 2111CO 0.06 0.81 -0.14 -0.07 0.09 0.00 0.00 178.44 179.18 1fwn h LEU 2112N 0.76 0.84 -1.16 1.67 3.38 -1.03 -0.50 115.31 119.26 1fwn h LEU 2112Ca 0.17 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1fwn h LEU 2112Cb 0.30 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1fwn h LEU 2112CO -0.00 1.03 0.43 0.00 0.09 0.00 0.00 178.44 179.99 1fwn h ALA 2113N 0.84 1.36 -0.15 1.53 0.00 -0.84 0.53 119.26 122.53 1fwn h ALA 2113Ca 0.10 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1fwn h ALA 2113Cb 0.69 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1fwn h ALA 2113CO 0.05 0.54 -0.31 0.00 0.00 0.00 0.00 179.25 179.52 1fwn h ALA 2114N 1.45 0.24 -0.55 0.00 0.00 -1.09 -3.17 119.26 116.14 1fwn h ALA 2114Ca 0.26 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1fwn h ALA 2114Cb -0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1fwn h ALA 2114CO -0.05 0.28 0.29 0.00 0.00 0.00 0.00 179.25 179.77 1fwn h ALA 2115N 0.56 1.48 0.00 0.00 0.00 -0.63 -2.70 119.26 117.96 1fwn h ALA 2115Ca 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1fwn h ALA 2115Cb 0.91 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1fwn h ALA 2115CO 0.07 0.43 -0.14 -0.22 0.00 0.00 0.00 179.25 179.39 1fwn h LYS 2116N 0.76 0.00 0.00 0.00 3.64 -0.88 -2.57 116.57 117.52 1fwn h LYS 2116Ca 0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1fwn h LYS 2116Cb 0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1fwn h LYS 2116CO -0.03 0.14 0.00 1.79 -2.27 0.00 0.00 179.45 179.08 1fwn h THR 2117N 0.00 0.00 0.00 1.00 1.35 -1.50 -3.46 112.91 110.31 1fwn h THR 2117Ca -0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 1fwn h THR 2117Cb 0.26 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 1fwn h THR 2117CO 0.02 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.90 1fwn n GLY 2118N -0.57 2.01 3.80 5.82 0.00 -0.97 -5.03 105.19 110.25 1fwn n GLY 2118Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1fwn n GLY 2118CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fwn s ARG 2119N -0.34 1.12 0.52 1.61 1.81 -1.26 -4.91 118.95 117.51 1fwn s ARG 2119Ca 0.00 0.22 -0.18 0.00 -1.72 0.00 0.00 55.73 54.06 1fwn s ARG 2119Cb 0.00 -1.84 -0.07 0.00 -0.45 0.00 0.00 34.95 32.58 1fwn s ARG 2119CO 0.00 -2.19 1.01 0.00 -0.68 0.00 0.00 175.30 173.43 1fwn s ALA 2120N -3.33 2.94 -0.07 2.13 0.00 -1.03 -4.75 121.76 117.65 1fwn s ALA 2120Ca 0.64 0.35 0.02 0.00 0.00 0.00 0.00 51.96 52.98 1fwn s ALA 2120Cb -0.14 -3.18 0.01 0.00 0.00 0.00 0.00 23.12 19.82 1fwn s ALA 2120CO 0.53 -0.34 -0.12 0.08 0.00 0.00 0.00 175.76 175.90 1fwn s VAL 2121N -2.39 1.15 -0.26 0.00 1.01 -0.58 -0.35 120.40 118.98 1fwn s VAL 2121Ca 0.62 -0.48 -0.02 0.00 0.00 0.00 0.00 61.98 62.10 1fwn s VAL 2121Cb -0.13 -1.05 0.03 0.00 0.00 0.00 0.00 36.38 35.23 1fwn s VAL 2121CO 0.28 0.36 -0.03 0.21 0.00 0.00 0.00 175.10 175.91 1fwn s ASN 2122N 0.71 4.50 -0.27 3.32 3.04 -0.01 -1.15 114.94 125.08 1fwn s ASN 2122Ca -0.14 -0.92 -0.10 0.00 0.04 0.00 0.00 52.86 51.74 1fwn s ASN 2122Cb -0.16 -1.70 -0.05 0.00 -1.54 0.00 0.00 41.25 37.81 1fwn s ASN 2122CO 0.03 -0.16 0.17 -0.69 -3.04 0.00 0.00 177.10 173.41 1fwn s VAL 2123N 1.33 5.13 -0.02 -5.21 1.01 -0.18 -0.42 120.40 122.04 1fwn s VAL 2123Ca -0.00 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.78 1fwn s VAL 2123Cb -0.17 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 1fwn s VAL 2123CO -0.03 0.27 1.36 -0.54 0.00 0.00 0.00 175.10 176.16 1fwn s LYS 2124N 1.71 4.29 -0.05 2.72 -0.14 -0.28 -1.35 119.74 126.64 1fwn s LYS 2124Ca 0.07 1.90 -0.30 0.00 -1.36 0.00 0.00 55.97 56.28 1fwn s LYS 2124Cb -0.16 -3.60 -0.05 0.00 -1.68 0.00 0.00 37.83 32.34 1fwn s LYS 2124CO 0.09 -0.57 1.61 0.21 -0.76 0.00 0.00 175.35 175.94 1fwn s LYS 2125N 2.48 4.19 0.47 1.68 2.20 -0.19 -3.95 119.74 126.62 1fwn s LYS 2125Ca 0.62 2.14 -0.23 0.00 -0.36 0.00 0.00 55.97 58.14 1fwn s LYS 2125Cb -0.30 -3.93 -0.09 0.00 -1.51 0.00 0.00 37.83 32.01 1fwn s LYS 2125CO 0.25 -0.82 1.01 0.41 -0.36 0.00 0.00 175.35 175.85 1fwn n GLY 2126N 4.06 -0.19 0.04 5.54 0.00 -1.24 -4.57 105.19 108.83 1fwn n GLY 2126Ca 0.17 0.07 0.06 0.00 0.00 0.00 0.00 46.02 46.32 1fwn n GLY 2126CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1fwn n GLN 2127N -0.16 0.05 0.00 1.61 3.00 -1.26 -1.80 117.38 118.82 1fwn n GLN 2127Ca 0.10 0.40 0.10 0.00 -0.01 0.00 0.00 57.00 57.59 1fwn n GLN 2127Cb 0.42 -1.63 -0.06 0.00 0.00 0.00 0.00 30.24 28.96 1fwn n GLN 2127CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 1fwn n PHE 2128N -1.73 0.00 -3.40 1.08 1.16 -1.26 -1.20 117.46 112.11 1fwn n PHE 2128Ca 0.02 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.24 1fwn n PHE 2128Cb 0.12 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 37.93 1fwn n PHE 2128CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 1fwn s LEU 2129N -2.69 4.34 0.40 5.98 2.96 -0.74 -5.06 118.68 123.88 1fwn s LEU 2129Ca 0.12 1.02 -0.07 0.00 -0.22 0.00 0.00 54.13 54.98 1fwn s LEU 2129Cb 0.16 -3.20 -0.05 0.00 0.50 0.00 0.00 46.19 43.60 1fwn s LEU 2129CO 0.69 0.12 0.72 0.00 -1.32 0.00 0.00 176.35 176.57 1fwn s ALA 2130N -1.44 3.43 0.19 5.97 0.00 -1.26 -4.90 121.76 123.74 1fwn s ALA 2130Ca 0.37 -0.40 -0.12 0.00 0.00 0.00 0.00 51.96 51.81 1fwn s ALA 2130Cb -0.15 -2.57 0.18 0.00 0.00 0.00 0.00 23.12 20.58 1fwn s ALA 2130CO 0.19 -0.07 1.77 -1.35 0.00 0.00 0.00 175.76 176.30 1fwn h PRO 2131N 0.99 0.45 0.00 0.00 0.11 -1.98 -1.48 132.00 130.09 1fwn h PRO 2131Ca -0.47 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1fwn h PRO 2131Cb 1.19 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1fwn h PRO 2131CO 0.63 0.30 -0.01 0.11 -0.21 0.00 0.00 178.00 178.82 1fwn h TRP 2132N 0.46 0.00 0.00 0.65 0.09 -1.94 -2.30 115.95 112.91 1fwn h TRP 2132Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.23 1fwn h TRP 2132Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.45 1fwn h TRP 2132CO -0.12 0.01 0.00 -0.25 0.09 0.00 0.00 178.44 178.17 1fwn n ASP 2133N -3.12 0.00 0.04 0.11 8.00 -0.56 -2.60 116.55 118.42 1fwn n ASP 2133Ca -0.00 0.38 0.13 0.00 0.71 0.00 0.00 54.79 56.01 1fwn n ASP 2133Cb 0.25 -0.45 0.50 0.00 -0.02 0.00 0.00 41.12 41.40 1fwn n ASP 2133CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1fwn n THR 2134N -1.45 0.20 -0.13 -3.53 -2.24 -0.87 -3.69 114.28 102.59 1fwn n THR 2134Ca 0.05 -0.10 -0.08 0.00 -2.27 0.00 0.00 64.05 61.65 1fwn n THR 2134Cb 0.18 -0.45 0.01 0.00 -2.10 0.00 0.00 70.33 67.97 1fwn n THR 2134CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1fwn h LYS 2135N 0.00 0.49 -0.00 -0.78 3.64 -1.71 -1.62 116.57 116.59 1fwn h LYS 2135Ca 0.00 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1fwn h LYS 2135Cb 0.59 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1fwn h LYS 2135CO 0.00 0.33 -0.18 -0.91 -2.27 0.00 0.00 179.45 176.41 1fwn h ASN 2136N 0.51 0.01 -0.40 4.20 -0.26 -1.81 -1.94 115.58 115.89 1fwn h ASN 2136Ca 0.15 -0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.85 1fwn h ASN 2136Cb -0.03 -0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.22 1fwn h ASN 2136CO -0.05 0.19 0.10 0.58 -1.06 0.00 0.00 177.43 177.19 1fwn h VAL 2137N 0.01 1.23 -0.31 2.81 2.07 -1.47 -2.10 116.25 118.48 1fwn h VAL 2137Ca -0.00 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 1fwn h VAL 2137Cb 0.33 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1fwn h VAL 2137CO 0.02 0.27 0.13 0.58 0.02 0.00 0.00 177.57 178.59 1fwn h VAL 2138N 0.50 1.18 -0.69 2.57 2.07 -0.90 -2.70 116.25 118.28 1fwn h VAL 2138Ca 0.12 -0.53 0.08 0.00 0.82 0.00 0.00 66.70 67.20 1fwn h VAL 2138Cb 0.31 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 1fwn h VAL 2138CO 0.00 0.19 0.46 -0.08 0.02 0.00 0.00 177.57 178.15 1fwn h GLU 2139N 0.36 0.61 -0.20 1.57 4.81 -1.21 -0.11 114.58 120.41 1fwn h GLU 2139Ca 0.10 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1fwn h GLU 2139Cb 0.17 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1fwn h GLU 2139CO -0.01 0.40 0.08 0.87 -0.73 0.00 0.00 179.01 179.63 1fwn h LYS 2140N 0.63 0.30 -0.62 1.92 1.57 -1.06 -0.69 116.57 118.61 1fwn h LYS 2140Ca 0.31 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.99 1fwn h LYS 2140Cb 0.39 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 1fwn h LYS 2140CO -0.10 0.36 0.23 -0.07 -0.57 0.00 0.00 179.45 179.29 1fwn h LEU 2141N 0.17 0.88 -0.61 2.94 3.38 -1.11 -0.98 115.31 119.99 1fwn h LEU 2141Ca 0.07 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1fwn h LEU 2141Cb 0.17 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1fwn h LEU 2141CO -0.01 0.83 0.25 0.11 0.09 0.00 0.00 178.44 179.72 1fwn h LYS 2142N 0.88 0.91 -0.00 1.13 1.57 -0.93 0.10 116.57 120.23 1fwn h LYS 2142Ca 0.20 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1fwn h LYS 2142Cb 0.24 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 1fwn h LYS 2142CO -0.01 0.77 -0.04 0.35 -0.57 0.00 0.00 179.45 179.94 1fwn h PHE 2143N 0.85 0.00 -0.01 -1.35 3.57 -0.77 -0.63 116.94 118.61 1fwn h PHE 2143Ca 0.21 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1fwn h PHE 2143Cb 0.19 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.93 1fwn h PHE 2143CO 0.01 0.04 0.00 0.41 -2.23 0.00 0.00 178.31 176.54 1fwn n GLY 2144N -1.42 -0.53 0.18 2.40 0.00 -0.40 -4.90 105.19 100.52 1fwn n GLY 2144Ca -0.03 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1fwn n GLY 2144CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fwn n GLY 2145N 1.07 0.50 3.77 -0.02 0.00 -0.24 -3.78 105.19 106.49 1fwn n GLY 2145Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 1fwn n GLY 2145CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fwn s ALA 2146N -2.12 3.48 0.00 4.61 0.00 -0.11 -4.94 121.76 122.68 1fwn s ALA 2146Ca 0.00 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.14 1fwn s ALA 2146Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1fwn s ALA 2146CO 0.00 -0.53 0.00 1.17 0.00 0.00 0.00 175.76 176.40 1fwn n LYS 2147N 0.89 2.41 -3.73 0.00 4.81 -1.26 -4.31 118.16 116.96 1fwn n LYS 2147Ca -0.00 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.06 1fwn n LYS 2147Cb 0.42 -0.95 -0.11 0.00 0.02 0.00 0.00 35.03 34.41 1fwn n LYS 2147CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1fwn s GLU 2148N -1.87 2.28 -0.07 1.64 2.12 -1.26 -5.08 118.70 116.46 1fwn s GLU 2148Ca 0.00 -1.63 0.06 0.00 0.36 0.00 0.00 54.97 53.76 1fwn s GLU 2148Cb 0.00 -3.60 -0.01 0.00 0.26 0.00 0.00 34.13 30.78 1fwn s GLU 2148CO 0.00 -0.98 -0.25 0.42 -0.54 0.00 0.00 175.26 173.92 1fwn s ILE 2149N 1.26 2.07 0.07 -3.70 1.01 -1.26 -1.52 121.20 119.11 1fwn s ILE 2149Ca 0.04 -1.05 0.07 0.00 0.00 0.00 0.00 60.65 59.71 1fwn s ILE 2149Cb -0.23 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.46 1fwn s ILE 2149CO -0.02 0.57 -0.19 -0.31 0.00 0.00 0.00 174.94 174.99 1fwn s TYR 2150N -0.05 1.68 -0.10 3.97 1.51 -0.30 -2.71 117.35 121.34 1fwn s TYR 2150Ca -0.07 -0.39 0.03 0.00 -1.01 0.00 0.00 57.07 55.63 1fwn s TYR 2150Cb -0.15 -0.97 0.00 0.00 -0.11 0.00 0.00 41.96 40.74 1fwn s TYR 2150CO 0.05 0.12 -0.22 -0.51 -1.11 0.00 0.00 175.55 173.88 1fwn s LEU 2151N -1.47 2.01 -0.17 -1.29 1.43 -0.23 -1.02 118.68 117.95 1fwn s LEU 2151Ca 0.06 -0.52 -0.03 0.00 -1.03 0.00 0.00 54.13 52.60 1fwn s LEU 2151Cb -0.09 -1.32 -0.02 0.00 0.03 0.00 0.00 46.19 44.79 1fwn s LEU 2151CO 0.03 0.12 -0.06 -0.89 0.23 0.00 0.00 176.35 175.78 1fwn s THR 2152N 0.49 3.61 -0.22 5.49 2.01 -0.45 -1.05 115.64 125.52 1fwn s THR 2152Ca -0.16 -0.45 -0.27 0.00 0.31 0.00 0.00 61.69 61.13 1fwn s THR 2152Cb -0.17 -2.58 -0.00 0.00 0.01 0.00 0.00 72.50 69.75 1fwn s THR 2152CO 0.06 0.48 0.92 -0.70 -0.69 0.00 0.00 174.62 174.69 1fwn s GLU 2153N 0.63 4.24 -0.05 4.92 2.56 0.36 -1.03 118.70 130.34 1fwn s GLU 2153Ca -0.03 1.13 0.14 0.00 0.00 0.00 0.00 54.97 56.20 1fwn s GLU 2153Cb -0.15 -3.63 0.25 0.00 2.00 0.00 0.00 34.13 32.61 1fwn s GLU 2153CO 0.03 -0.52 1.11 2.89 -0.56 0.00 0.00 175.26 178.21 1fwn n ARG 2154N 5.94 0.38 0.00 4.30 -4.01 -1.26 -0.86 116.66 121.14 1fwn n ARG 2154Ca 0.08 -1.89 0.00 0.00 -1.04 0.00 0.00 57.85 55.00 1fwn n ARG 2154Cb 0.47 -0.59 0.00 0.00 -3.04 0.00 0.00 32.46 29.30 1fwn n ARG 2154CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1fwn n GLY 2155N -0.15 1.59 3.10 2.89 0.00 -1.26 -3.77 105.19 107.59 1fwn n GLY 2155Ca 0.07 -1.86 -0.20 0.00 0.00 0.00 0.00 46.02 44.03 1fwn n GLY 2155CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fwn s THR 2156N -2.87 0.99 -0.05 2.61 2.01 -0.19 -4.32 115.64 113.82 1fwn s THR 2156Ca 0.00 -0.76 -0.35 0.00 0.31 0.00 0.00 61.69 60.89 1fwn s THR 2156Cb 0.00 -0.87 -0.13 0.00 0.01 0.00 0.00 72.50 71.51 1fwn s THR 2156CO 0.00 0.11 1.75 0.41 -0.69 0.00 0.00 174.62 176.20 1fwn n THR 2157N 2.31 0.37 -3.71 -0.82 -1.04 -0.34 -1.37 114.28 109.68 1fwn n THR 2157Ca -0.16 -0.07 -0.29 0.00 -2.04 0.00 0.00 64.05 61.49 1fwn n THR 2157Cb 0.55 -1.62 -0.13 0.00 -1.82 0.00 0.00 70.33 67.32 1fwn n THR 2157CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1fwn s PHE 2158N 3.04 2.13 0.00 -1.42 5.36 -0.53 -4.84 117.98 121.71 1fwn s PHE 2158Ca 0.90 -2.55 0.00 0.00 -0.96 0.00 0.00 56.93 54.32 1fwn s PHE 2158Cb -0.77 -1.92 0.00 0.00 -0.34 0.00 0.00 43.02 39.99 1fwn s PHE 2158CO 0.51 -0.76 0.00 0.41 -1.46 0.00 0.00 175.22 173.92 1fwn n GLY 2159N 3.27 -0.51 3.83 13.12 0.00 -1.26 -4.30 105.19 119.34 1fwn n GLY 2159Ca 0.12 -1.10 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 1fwn n GLY 2159CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fwn s TYR 2160N 0.00 3.74 -1.54 1.61 2.02 -1.26 -4.40 117.35 117.52 1fwn s TYR 2160Ca 0.00 1.02 -0.14 0.00 -0.37 0.00 0.00 57.07 57.58 1fwn s TYR 2160Cb 0.00 -2.31 0.10 0.00 -0.40 0.00 0.00 41.96 39.35 1fwn s TYR 2160CO 0.00 0.64 0.85 0.09 -1.57 0.00 0.00 175.55 175.56 1fwn n ASN 2161N 1.81 -4.39 -3.65 2.29 3.02 -1.26 -4.96 115.26 108.11 1fwn n ASN 2161Ca -0.14 -0.75 -0.15 0.00 -0.03 0.00 0.00 54.58 53.51 1fwn n ASN 2161Cb 0.52 -3.54 -0.08 0.00 -0.61 0.00 0.00 39.78 36.08 1fwn n ASN 2161CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1fwn s ASN 2162N -3.17 -0.45 0.04 6.41 3.04 -1.26 -4.04 114.94 115.50 1fwn s ASN 2162Ca 0.63 0.55 0.06 0.00 0.04 0.00 0.00 52.86 54.14 1fwn s ASN 2162Cb -0.33 0.57 -0.02 0.00 -1.54 0.00 0.00 41.25 39.93 1fwn s ASN 2162CO 0.78 -0.46 -0.17 -0.76 -3.04 0.00 0.00 177.10 173.45 1fwn s LEU 2163N -0.93 2.16 0.06 3.21 1.43 -1.26 -1.45 118.68 121.89 1fwn s LEU 2163Ca -0.10 -0.47 0.08 0.00 -1.03 0.00 0.00 54.13 52.62 1fwn s LEU 2163Cb -0.03 -0.77 -0.03 0.00 0.03 0.00 0.00 46.19 45.39 1fwn s LEU 2163CO 0.06 0.10 -0.23 0.54 0.23 0.00 0.00 176.35 177.04 1fwn s VAL 2164N -0.79 1.89 -0.37 -1.59 0.11 -0.47 -4.85 120.40 114.33 1fwn s VAL 2164Ca 0.04 -1.36 -0.13 0.00 -2.93 0.00 0.00 61.98 57.60 1fwn s VAL 2164Cb -0.08 -1.65 0.01 0.00 -1.53 0.00 0.00 36.38 33.13 1fwn s VAL 2164CO 0.01 0.22 0.25 -0.69 -3.33 0.00 0.00 175.10 171.56 1fwn s VAL 2165N -0.87 5.08 -0.59 2.04 1.01 -1.26 -1.02 120.40 124.78 1fwn s VAL 2165Ca 0.09 -0.55 -0.20 0.00 0.00 0.00 0.00 61.98 61.32 1fwn s VAL 2165Cb -0.09 -3.75 0.08 0.00 0.00 0.00 0.00 36.38 32.62 1fwn s VAL 2165CO 0.03 -0.18 0.78 -0.62 0.00 0.00 0.00 175.10 175.11 1fwn s ASP 2166N 1.66 6.20 0.00 3.32 -1.08 -1.26 -4.91 116.67 120.60 1fwn s ASP 2166Ca 0.05 -1.15 0.10 0.00 -0.52 0.00 0.00 52.55 51.02 1fwn s ASP 2166Cb -0.18 -2.34 0.50 0.00 -1.46 0.00 0.00 42.92 39.43 1fwn s ASP 2166CO 0.09 -1.18 1.23 0.49 0.52 0.00 0.00 175.17 176.33 1fwn n PHE 2167N 6.76 0.00 0.28 -5.34 3.01 -1.26 -1.64 117.46 119.27 1fwn n PHE 2167Ca -0.07 0.00 0.16 0.00 1.01 0.00 0.00 57.45 58.56 1fwn n PHE 2167Cb 0.44 -0.32 0.77 0.00 -0.01 0.00 0.00 39.48 40.35 1fwn n PHE 2167CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1fwn h ARG 2168N 0.00 0.00 -0.45 -1.08 3.08 -2.03 -2.87 114.38 111.03 1fwn h ARG 2168Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1fwn h ARG 2168Cb 0.11 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1fwn h ARG 2168CO 0.00 0.06 0.14 0.66 -1.07 0.00 0.00 179.97 179.76 1fwn h SER 2169N 0.00 0.60 0.31 7.04 4.64 -1.74 -3.02 113.55 121.38 1fwn h SER 2169Ca -0.00 -0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1fwn h SER 2169Cb 0.41 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 1fwn h SER 2169CO 0.01 0.57 -0.28 -0.07 -0.87 0.00 0.00 176.83 176.19 1fwn h LEU 2170N 0.64 -0.76 -1.12 5.97 4.07 -1.73 -0.18 115.31 122.21 1fwn h LEU 2170Ca 0.15 0.07 -0.01 0.00 0.08 0.00 0.00 57.88 58.17 1fwn h LEU 2170Cb 0.19 0.25 -0.04 0.00 1.08 0.00 0.00 40.66 42.15 1fwn h LEU 2170CO -0.01 -0.41 0.43 -0.65 -1.08 0.00 0.00 178.44 176.72 1fwn h PRO 2171N -0.61 1.04 0.06 1.13 0.11 -1.74 -2.23 132.00 129.76 1fwn h PRO 2171Ca -0.02 -0.10 -0.00 0.00 0.11 0.00 0.00 66.00 65.99 1fwn h PRO 2171Cb 0.56 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.45 1fwn h PRO 2171CO -0.04 0.75 -0.03 0.82 -0.21 0.00 0.00 178.00 179.29 1fwn h ILE 2172N 1.05 1.12 0.00 4.15 2.04 -1.38 -3.15 117.51 121.35 1fwn h ILE 2172Ca 0.27 -0.59 -0.05 0.00 1.00 0.00 0.00 64.86 65.49 1fwn h ILE 2172Cb -0.00 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 1fwn h ILE 2172CO -0.05 0.15 -0.23 0.24 0.00 0.00 0.00 178.15 178.26 1fwn h MET 2173N -0.34 0.00 0.00 2.37 2.86 -0.96 -2.65 114.93 116.21 1fwn h MET 2173Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1fwn h MET 2173Cb 0.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.96 1fwn h MET 2173CO 0.01 0.23 0.00 -0.22 1.06 0.00 0.00 176.91 177.99 1fwn h LYS 2174N 0.00 0.00 0.00 1.72 1.63 -1.35 -2.16 116.57 116.40 1fwn h LYS 2174Ca -0.00 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 1fwn h LYS 2174Cb 0.54 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.16 1fwn h LYS 2174CO 0.03 0.00 -0.15 1.96 -3.45 0.00 0.00 179.45 177.84 1fwn h GLN 2175N 0.00 0.00 0.00 1.90 4.20 -1.56 -3.32 115.11 116.33 1fwn h GLN 2175Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1fwn h GLN 2175Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1fwn h GLN 2175CO 0.00 0.15 0.00 -2.67 -0.67 0.00 0.00 178.83 175.64 1fwn n TRP 2176N -3.56 0.00 -3.61 2.96 2.14 -0.85 -5.11 117.44 109.40 1fwn n TRP 2176Ca -0.01 -0.14 -0.02 0.00 2.07 0.00 0.00 57.50 59.40 1fwn n TRP 2176Cb 0.29 -0.01 -0.01 0.00 -0.81 0.00 0.00 31.31 30.77 1fwn n TRP 2176CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1fwn s ALA 2177N -0.27 -2.08 0.31 -1.67 0.00 -0.99 -4.98 121.76 112.08 1fwn s ALA 2177Ca 0.00 1.05 -0.28 0.00 0.00 0.00 0.00 51.96 52.73 1fwn s ALA 2177Cb 0.00 0.19 -0.09 0.00 0.00 0.00 0.00 23.12 23.22 1fwn s ALA 2177CO 0.00 -0.83 1.09 0.15 0.00 0.00 0.00 175.76 176.18 1fwn s LYS 2178N -2.56 4.52 -0.14 0.00 1.02 -1.10 -4.05 119.74 117.41 1fwn s LYS 2178Ca 0.11 1.75 -0.03 0.00 0.02 0.00 0.00 55.97 57.83 1fwn s LYS 2178Cb 0.01 -3.04 -0.02 0.00 -0.52 0.00 0.00 37.83 34.26 1fwn s LYS 2178CO -0.04 0.11 -0.06 0.08 -0.92 0.00 0.00 175.35 174.52 1fwn s VAL 2179N -1.27 3.68 -0.05 3.17 1.01 -1.26 -1.07 120.40 124.62 1fwn s VAL 2179Ca 0.48 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 62.06 1fwn s VAL 2179Cb -0.30 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 1fwn s VAL 2179CO 0.38 0.51 -0.17 -0.63 0.00 0.00 0.00 175.10 175.19 1fwn s ILE 2180N 0.30 2.80 -0.26 2.22 -1.09 -0.21 0.28 121.20 125.23 1fwn s ILE 2180Ca -0.05 -0.82 -0.07 0.00 -2.23 0.00 0.00 60.65 57.48 1fwn s ILE 2180Cb -0.14 -2.08 -0.02 0.00 -1.58 0.00 0.00 42.46 38.64 1fwn s ILE 2180CO 0.04 0.58 0.08 -0.47 -1.23 0.00 0.00 174.94 173.94 1fwn s TYR 2181N -0.59 3.10 -0.67 3.97 5.04 -0.44 -0.49 117.35 127.27 1fwn s TYR 2181Ca 0.09 -0.55 -0.26 0.00 -2.44 0.00 0.00 57.07 53.90 1fwn s TYR 2181Cb -0.11 -2.25 0.04 0.00 0.35 0.00 0.00 41.96 39.99 1fwn s TYR 2181CO 0.01 -0.41 1.16 0.34 -1.34 0.00 0.00 175.55 175.31 1fwn s ASP 2182N 1.59 6.24 0.37 4.32 -1.08 -0.04 -0.49 116.67 127.58 1fwn s ASP 2182Ca 0.06 -0.43 0.26 0.00 -0.52 0.00 0.00 52.55 51.92 1fwn s ASP 2182Cb -0.16 -2.52 0.84 0.00 -1.46 0.00 0.00 42.92 39.63 1fwn s ASP 2182CO 0.03 -1.62 1.77 0.00 0.52 0.00 0.00 175.17 175.87 1fwn h ALA 2183N 9.76 1.00 0.00 3.66 0.00 -1.37 -3.18 119.26 129.13 1fwn h ALA 2183Ca -0.27 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.28 1fwn h ALA 2183Cb 1.06 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 1fwn h ALA 2183CO 1.22 0.00 -2.37 0.25 0.00 0.00 0.00 179.25 178.35 1fwn n THR 2184N -2.69 1.37 0.13 0.00 -2.24 -1.26 -4.48 114.28 105.12 1fwn n THR 2184Ca 0.03 -0.63 0.01 0.00 -2.27 0.00 0.00 64.05 61.19 1fwn n THR 2184Cb 0.39 -1.07 0.07 0.00 -2.10 0.00 0.00 70.33 67.62 1fwn n THR 2184CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1fwn h HIS 2185N 0.00 0.00 0.00 4.78 3.86 -1.90 -3.27 115.15 118.62 1fwn h HIS 2185Ca -0.54 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.67 1fwn h HIS 2185Cb 1.96 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.43 1fwn h HIS 2185CO 0.02 0.61 -0.02 0.77 0.86 0.00 0.00 177.93 180.17 1fwn h SER 2186N 0.00 0.00 -0.21 2.45 0.02 -1.64 -2.40 113.55 111.77 1fwn h SER 2186Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1fwn h SER 2186Cb 1.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.89 1fwn h SER 2186CO 0.08 0.02 0.00 1.33 -1.14 0.00 0.00 176.83 177.12 1fwn n VAL 2187N -3.29 0.63 -2.81 2.27 0.24 -1.23 -4.70 118.33 109.44 1fwn n VAL 2187Ca -0.02 -0.82 -0.38 0.00 -2.04 0.00 0.00 64.34 61.08 1fwn n VAL 2187Cb 0.14 0.76 -0.06 0.00 -1.47 0.00 0.00 33.84 33.21 1fwn n VAL 2187CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fwn s GLN 2188N -0.95 4.66 -0.42 7.34 -2.07 -0.90 -4.64 119.66 122.68 1fwn s GLN 2188Ca 0.18 1.34 -0.17 0.00 -1.82 0.00 0.00 55.36 54.89 1fwn s GLN 2188Cb 0.10 -3.02 0.02 0.00 -1.09 0.00 0.00 33.01 29.02 1fwn s GLN 2188CO 0.14 0.40 0.43 -0.51 -1.32 0.00 0.00 175.29 174.43 1fwn s LEU 2189N -1.65 4.87 0.18 2.60 1.43 -1.26 -4.47 118.68 120.38 1fwn s LEU 2189Ca 0.45 -0.68 -0.33 0.00 -1.03 0.00 0.00 54.13 52.54 1fwn s LEU 2189Cb -0.22 -2.38 -0.15 0.00 0.03 0.00 0.00 46.19 43.48 1fwn s LEU 2189CO 0.27 -0.57 1.26 -2.65 0.23 0.00 0.00 176.35 174.88 1fwn n PRO 2190N 5.58 1.42 -3.04 1.29 -0.02 -1.26 -4.92 135.00 134.05 1fwn n PRO 2190Ca -0.07 0.51 -0.15 0.00 -2.02 0.00 0.00 63.50 61.77 1fwn n PRO 2190Cb 0.47 -2.07 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 1fwn n PRO 2190CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fwn n GLY 2191N 2.14 -0.42 4.49 -1.23 0.00 -1.26 -4.35 105.19 104.57 1fwn n GLY 2191Ca 0.14 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1fwn n GLY 2191CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fwn n GLY 2199N -0.66 1.14 0.17 -0.02 0.00 -1.26 -5.10 105.19 99.46 1fwn n GLY 2199Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 1fwn n GLY 2199CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1fwn h MET 2200N 0.51 -0.31 -1.00 1.61 0.00 -1.88 -3.35 114.93 110.51 1fwn h MET 2200Ca 0.00 0.02 0.19 0.00 0.00 0.00 0.00 59.70 59.91 1fwn h MET 2200Cb 0.00 0.07 -0.10 0.00 0.00 0.00 0.00 31.60 31.57 1fwn h MET 2200CO 0.00 0.05 0.61 -0.09 0.00 0.00 0.00 176.91 177.49 1fwn h ARG 2201N -0.89 0.71 0.00 1.72 2.43 -1.88 -1.45 114.38 115.02 1fwn h ARG 2201Ca -0.03 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1fwn h ARG 2201Cb 0.51 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1fwn h ARG 2201CO 0.05 0.47 0.00 1.05 -1.51 0.00 0.00 179.97 180.03 1fwn h GLU 2202N 0.73 0.00 -0.01 0.20 4.11 -1.95 -2.40 114.58 115.26 1fwn h GLU 2202Ca 0.56 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.99 1fwn h GLU 2202Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1fwn h GLU 2202CO -0.35 0.00 -0.71 1.19 0.07 0.00 0.00 179.01 179.21 1fwn n PHE 2203N -2.65 0.00 0.24 2.06 0.99 -0.55 -4.54 117.46 113.02 1fwn n PHE 2203Ca -0.02 0.00 -0.16 0.00 -0.00 0.00 0.00 57.45 57.27 1fwn n PHE 2203Cb 0.07 -0.05 -0.08 0.00 -1.00 0.00 0.00 39.48 38.43 1fwn n PHE 2203CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 1fwn h ILE 2204N 0.80 0.22 -0.17 4.37 2.04 -1.51 -2.40 117.51 120.86 1fwn h ILE 2204Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1fwn h ILE 2204Cb 0.57 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1fwn h ILE 2204CO 0.00 0.00 0.09 0.15 0.00 0.00 0.00 178.15 178.39 1fwn h PHE 2205N -0.80 0.24 -0.61 1.37 3.57 -1.80 -1.50 116.94 117.41 1fwn h PHE 2205Ca -0.03 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.53 1fwn h PHE 2205Cb 0.71 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 39.32 1fwn h PHE 2205CO -0.21 0.25 0.28 -1.35 -2.23 0.00 0.00 178.31 175.05 1fwn h PRO 2206N 0.16 0.50 0.00 6.41 0.11 -1.79 -1.42 132.00 135.97 1fwn h PRO 2206Ca 0.06 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.02 1fwn h PRO 2206Cb 0.10 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.07 1fwn h PRO 2206CO -0.01 0.33 -0.58 -0.07 -0.21 0.00 0.00 178.00 177.46 1fwn h LEU 2207N 0.52 0.00 -0.79 2.35 3.38 -1.33 -2.64 115.31 116.80 1fwn h LEU 2207Ca 0.29 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.13 1fwn h LEU 2207Cb 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1fwn h LEU 2207CO -0.24 0.58 -0.58 -0.29 0.09 0.00 0.00 178.44 178.01 1fwn h ILE 2208N 0.00 1.40 -0.47 1.22 2.10 -0.78 -1.79 117.51 119.19 1fwn h ILE 2208Ca -0.01 -1.97 -0.11 0.00 1.08 0.00 0.00 64.86 63.86 1fwn h ILE 2208Cb 1.15 2.03 -0.02 0.00 -1.09 0.00 0.00 36.82 38.90 1fwn h ILE 2208CO 0.08 0.57 -0.15 0.03 -1.08 0.00 0.00 178.15 177.60 1fwn h ARG 2209N 0.06 0.90 -0.47 2.19 3.08 -1.04 -2.71 114.38 116.39 1fwn h ARG 2209Ca -0.00 -0.33 -0.04 0.00 0.07 0.00 0.00 59.98 59.67 1fwn h ARG 2209Cb 1.04 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.02 1fwn h ARG 2209CO 0.08 0.98 0.15 0.00 -1.07 0.00 0.00 179.97 180.11 1fwn h ALA 2210N 1.03 0.62 -0.61 0.04 0.00 -1.17 -1.34 119.26 117.82 1fwn h ALA 2210Ca 0.12 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.91 1fwn h ALA 2210Cb 0.68 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1fwn h ALA 2210CO 0.05 0.28 0.32 0.00 0.00 0.00 0.00 179.25 179.89 1fwn h ALA 2211N 1.00 0.81 -0.09 0.00 0.00 -1.14 0.20 119.26 120.04 1fwn h ALA 2211Ca 0.15 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 1fwn h ALA 2211Cb 0.27 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1fwn h ALA 2211CO -0.00 -0.03 -0.63 0.28 0.00 0.00 0.00 179.25 178.86 1fwn h VAL 2212N 0.59 1.37 -0.37 0.00 2.07 -1.37 0.10 116.25 118.64 1fwn h VAL 2212Ca 0.28 -2.00 -0.11 0.00 0.82 0.00 0.00 66.70 65.68 1fwn h VAL 2212Cb 0.21 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1fwn h VAL 2212CO -0.20 0.60 -0.23 0.00 0.02 0.00 0.00 177.57 177.76 1fwn h ALA 2213N 1.07 0.89 -0.07 1.67 0.00 -0.45 -3.09 119.26 119.28 1fwn h ALA 2213Ca -0.01 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 1fwn h ALA 2213Cb 1.17 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1fwn h ALA 2213CO 0.11 0.63 -0.27 0.28 0.00 0.00 0.00 179.25 179.99 1fwn h VAL 2214N 0.65 1.43 0.00 0.00 2.07 -0.50 -3.47 116.25 116.43 1fwn h VAL 2214Ca 0.09 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 65.93 1fwn h VAL 2214Cb 0.74 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 1fwn h VAL 2214CO 0.06 0.48 0.00 0.61 0.02 0.00 0.00 177.57 178.74 1fwn n GLY 2215N 0.66 3.08 3.47 2.17 0.00 0.34 -4.81 105.19 110.10 1fwn n GLY 2215Ca -0.08 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.84 1fwn n GLY 2215CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fwn n ASP 2217N -0.54 1.16 0.00 0.00 8.00 0.14 -4.98 116.55 120.33 1fwn n ASP 2217Ca -0.00 -0.97 0.00 0.00 0.71 0.00 0.00 54.79 54.53 1fwn n ASP 2217Cb 0.63 0.63 0.00 0.00 -0.02 0.00 0.00 41.12 42.36 1fwn n ASP 2217CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fwn n GLY 2218N 1.46 0.17 3.20 0.44 0.00 -1.09 -1.43 105.19 107.95 1fwn n GLY 2218Ca 0.07 -0.86 -0.20 0.00 0.00 0.00 0.00 46.02 45.02 1fwn n GLY 2218CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fwn s VAL 2219N -2.00 1.29 -0.12 1.61 1.01 -0.09 -1.33 120.40 120.76 1fwn s VAL 2219Ca 0.00 -1.31 0.02 0.00 0.00 0.00 0.00 61.98 60.69 1fwn s VAL 2219Cb 0.00 -1.20 -0.00 0.00 0.00 0.00 0.00 36.38 35.18 1fwn s VAL 2219CO 0.00 -0.13 -0.19 0.12 0.00 0.00 0.00 175.10 174.90 1fwn s PHE 2220N -1.16 2.68 -0.07 5.22 2.19 0.35 -0.96 117.98 126.24 1fwn s PHE 2220Ca 0.01 -0.95 -0.03 0.00 0.33 0.00 0.00 56.93 56.29 1fwn s PHE 2220Cb -0.10 -1.79 0.04 0.00 -1.31 0.00 0.00 43.02 39.87 1fwn s PHE 2220CO 0.03 -0.38 0.14 -1.64 1.83 0.00 0.00 175.22 175.20 1fwn s MET 2221N 0.46 0.07 -0.02 10.12 -1.94 0.39 -1.02 119.30 127.37 1fwn s MET 2221Ca -0.13 0.40 -0.26 0.00 -1.71 0.00 0.00 55.69 53.99 1fwn s MET 2221Cb -0.17 -0.20 -0.04 0.00 2.01 0.00 0.00 34.83 36.43 1fwn s MET 2221CO 0.06 -0.20 0.80 -1.21 -0.01 0.00 0.00 175.02 174.46 1fwn s GLU 2222N 1.41 4.49 0.02 2.03 2.02 -1.26 -2.86 118.70 124.55 1fwn s GLU 2222Ca -0.07 1.08 0.02 0.00 0.02 0.00 0.00 54.97 56.03 1fwn s GLU 2222Cb -0.12 -3.43 -0.01 0.00 0.10 0.00 0.00 34.13 30.67 1fwn s GLU 2222CO -0.06 0.08 -0.08 -0.08 0.02 0.00 0.00 175.26 175.15 1fwn s THR 2223N 0.66 0.56 -0.12 3.63 -1.32 0.40 -0.47 115.64 118.99 1fwn s THR 2223Ca 0.42 -0.69 -0.11 0.00 -1.21 0.00 0.00 61.69 60.10 1fwn s THR 2223Cb -0.19 -0.55 0.03 0.00 -1.51 0.00 0.00 72.50 70.28 1fwn s THR 2223CO 0.22 -0.11 0.31 -2.28 -2.21 0.00 0.00 174.62 170.55 1fwn s HIS 2224N -0.76 -0.35 0.33 9.09 5.04 -0.26 -2.32 115.29 126.07 1fwn s HIS 2224Ca -0.03 0.84 0.08 0.00 -1.54 0.00 0.00 55.06 54.41 1fwn s HIS 2224Cb -0.06 0.12 0.77 0.00 0.04 0.00 0.00 32.58 33.45 1fwn s HIS 2224CO 0.00 -0.17 1.82 -1.35 -2.34 0.00 0.00 174.74 172.70 1fwn h PRO 2225N 5.71 0.72 -2.18 2.88 0.11 -1.94 -2.12 132.00 135.18 1fwn h PRO 2225Ca -0.27 -0.04 -0.56 0.00 0.11 0.00 0.00 66.00 65.24 1fwn h PRO 2225Cb 1.19 -0.16 -0.37 0.00 0.11 0.00 0.00 31.00 31.76 1fwn h PRO 2225CO 0.31 0.48 -0.99 0.39 -0.21 0.00 0.00 178.00 177.97 1fwn n GLU 2226N -4.65 0.35 -0.38 1.05 1.02 -1.26 -4.51 120.64 112.27 1fwn n GLU 2226Ca 0.21 -3.12 0.30 0.00 -0.02 0.00 0.00 57.16 54.53 1fwn n GLU 2226Cb 0.53 -1.53 0.57 0.00 -0.02 0.00 0.00 31.44 30.99 1fwn n GLU 2226CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1fwn h PRO 2227N 5.12 0.19 0.00 3.49 0.11 -1.85 0.20 132.00 139.26 1fwn h PRO 2227Ca 0.20 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1fwn h PRO 2227Cb 0.91 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1fwn h PRO 2227CO 0.38 0.12 0.00 1.05 -0.21 0.00 0.00 178.00 179.35 1fwn h GLU 2228N 0.19 0.00 -0.02 1.05 4.11 -1.93 -1.00 114.58 116.98 1fwn h GLU 2228Ca 0.76 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.19 1fwn h GLU 2228Cb 2.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.37 1fwn h GLU 2228CO -0.48 0.00 -0.05 1.63 0.07 0.00 0.00 179.01 180.17 1fwn n LYS 2229N -2.64 1.30 -1.75 1.06 5.02 0.70 -5.01 118.16 116.85 1fwn n LYS 2229Ca -0.02 -1.34 -0.39 0.00 -2.02 0.00 0.00 58.31 54.55 1fwn n LYS 2229Cb 0.09 -1.30 0.04 0.00 -0.02 0.00 0.00 35.03 33.84 1fwn n LYS 2229CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fwn n ALA 2230N 0.73 1.65 1.47 7.82 0.00 -0.38 -4.89 120.51 126.91 1fwn n ALA 2230Ca 0.09 0.15 0.13 0.00 0.00 0.00 0.00 53.44 53.81 1fwn n ALA 2230Cb 0.39 -2.36 0.51 0.00 0.00 0.00 0.00 19.45 17.99 1fwn n ALA 2230CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1fwn n LEU 2231N -0.85 1.38 -3.67 0.00 4.77 -1.26 -4.56 117.00 112.82 1fwn n LEU 2231Ca 0.09 -0.50 -0.15 0.00 -0.03 0.00 0.00 56.01 55.42 1fwn n LEU 2231Cb 0.44 -0.03 -0.08 0.00 -2.33 0.00 0.00 43.42 41.42 1fwn n LEU 2231CO 0.54 0.25 0.20 -0.55 -1.33 0.00 0.00 177.39 176.50 1fwn s SER 2232N -1.85 -0.43 -1.51 -1.43 0.15 -1.26 -4.49 113.70 102.87 1fwn s SER 2232Ca 0.37 0.54 -0.07 0.00 0.70 0.00 0.00 55.95 57.49 1fwn s SER 2232Cb 0.20 0.58 0.07 0.00 -1.71 0.00 0.00 66.02 65.16 1fwn s SER 2232CO 0.31 -0.42 0.17 0.47 1.20 0.00 0.00 173.24 174.97 1fwn n ASP 2233N 1.59 0.08 0.15 5.45 8.00 -1.26 -4.80 116.55 125.75 1fwn n ASP 2233Ca -0.19 -1.16 0.04 0.00 0.71 0.00 0.00 54.79 54.20 1fwn n ASP 2233Cb 0.56 -1.45 0.46 0.00 -0.02 0.00 0.00 41.12 40.67 1fwn n ASP 2233CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fwn h ALA 2234N 0.92 1.66 0.00 2.24 0.00 -1.80 -1.70 119.26 120.58 1fwn h ALA 2234Ca -0.59 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1fwn h ALA 2234Cb 1.27 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1fwn h ALA 2234CO 0.70 0.25 0.00 0.77 0.00 0.00 0.00 179.25 180.98 1fwn h SER 2235N 0.19 0.00 0.00 0.00 0.02 -1.87 -3.37 113.55 108.52 1fwn h SER 2235Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1fwn h SER 2235Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1fwn h SER 2235CO 0.01 0.00 0.00 0.35 -1.14 0.00 0.00 176.83 176.05 1fwn n THR 2236N -2.61 0.00 -2.22 -2.27 -2.24 -1.01 -4.09 114.28 99.84 1fwn n THR 2236Ca 0.04 -0.42 -0.41 0.00 -2.27 0.00 0.00 64.05 60.99 1fwn n THR 2236Cb 0.41 1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 69.66 1fwn n THR 2236CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1fwn s GLN 2237N -0.58 4.38 0.12 -0.78 -0.21 -0.67 -4.85 119.66 117.07 1fwn s GLN 2237Ca 0.00 2.05 -0.30 0.00 0.02 0.00 0.00 55.36 57.13 1fwn s GLN 2237Cb 0.00 -3.20 -0.07 0.00 1.00 0.00 0.00 33.01 30.74 1fwn s GLN 2237CO 0.00 -0.27 1.15 -1.17 -2.12 0.00 0.00 175.29 172.89 1fwn s LEU 2238N 0.03 4.43 0.20 2.90 2.96 0.38 -4.74 118.68 124.84 1fwn s LEU 2238Ca 0.57 2.07 -0.31 0.00 -0.22 0.00 0.00 54.13 56.24 1fwn s LEU 2238Cb -0.36 -3.59 -0.11 0.00 0.50 0.00 0.00 46.19 42.62 1fwn s LEU 2238CO 0.37 -0.36 1.63 -2.84 -1.32 0.00 0.00 176.35 173.84 1fwn s PRO 2239N 0.31 4.17 0.30 0.98 0.02 -1.26 -1.10 135.00 138.41 1fwn s PRO 2239Ca 0.54 2.49 0.04 0.00 0.02 0.00 0.00 61.00 64.09 1fwn s PRO 2239Cb -0.30 -3.10 0.77 0.00 0.02 0.00 0.00 34.50 31.89 1fwn s PRO 2239CO 0.33 -0.66 1.67 1.25 -0.33 0.00 0.00 177.00 179.25 1fwn h LEU 2240N 6.47 0.19 -2.78 -5.54 6.46 -1.61 -0.32 115.31 118.19 1fwn h LEU 2240Ca -0.43 0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.51 1fwn h LEU 2240Cb 1.21 0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 41.34 1fwn h LEU 2240CO 0.91 -0.10 0.04 0.77 -0.62 0.00 0.00 178.44 179.44 1fwn h SER 2241N 0.29 0.00 0.21 1.25 4.64 -1.89 -2.06 113.55 115.99 1fwn h SER 2241Ca 0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 1fwn h SER 2241Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1fwn h SER 2241CO -0.60 0.00 -0.54 0.00 -0.87 0.00 0.00 176.83 174.82 1fwn n GLN 2242N -3.22 0.48 -0.04 4.77 6.02 -0.13 -4.46 117.38 120.79 1fwn n GLN 2242Ca -0.03 -0.34 -0.09 0.00 -0.01 0.00 0.00 57.00 56.54 1fwn n GLN 2242Cb 0.11 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.86 1fwn n GLN 2242CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1fwn h LEU 2243N 0.83 0.03 -0.10 1.08 6.46 -1.42 -2.58 115.31 119.61 1fwn h LEU 2243Ca 0.00 0.03 0.02 0.00 -0.12 0.00 0.00 57.88 57.81 1fwn h LEU 2243Cb 0.55 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.49 1fwn h LEU 2243CO 0.00 0.05 -0.05 -0.08 -0.62 0.00 0.00 178.44 177.74 1fwn h GLU 2244N 0.14 -0.04 -0.76 1.25 4.81 -1.78 -1.11 114.58 117.09 1fwn h GLU 2244Ca 0.09 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.39 1fwn h GLU 2244Cb 0.08 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.41 1fwn h GLU 2244CO -0.11 -0.03 0.45 0.78 -0.73 0.00 0.00 179.01 179.37 1fwn h GLY 2245N -0.04 1.14 1.42 1.92 0.00 -1.81 -0.84 103.07 104.86 1fwn h GLY 2245Ca 0.06 -0.32 -0.14 0.00 0.00 0.00 0.00 47.33 46.93 1fwn h GLY 2245CO -0.13 0.20 -0.40 -2.22 0.00 0.00 0.00 176.54 173.99 1fwn h ILE 2246N 0.81 1.29 -0.26 2.60 2.04 -1.21 -1.62 117.51 121.17 1fwn h ILE 2246Ca 0.34 -1.56 -0.04 0.00 1.00 0.00 0.00 64.86 64.60 1fwn h ILE 2246Cb 0.20 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 1fwn h ILE 2246CO -0.19 0.50 0.01 0.40 0.00 0.00 0.00 178.15 178.87 1fwn h ILE 2247N 0.53 1.25 -0.86 -0.67 2.04 -0.67 -1.43 117.51 117.70 1fwn h ILE 2247Ca 0.05 -0.89 0.01 0.00 1.00 0.00 0.00 64.86 65.03 1fwn h ILE 2247Cb 0.92 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 38.28 1fwn h ILE 2247CO 0.08 0.28 0.57 -0.08 0.00 0.00 0.00 178.15 179.00 1fwn h GLU 2248N 0.23 1.11 0.09 2.37 4.57 -1.12 -1.73 114.58 120.10 1fwn h GLU 2248Ca 0.07 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1fwn h GLU 2248Cb 0.40 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 1fwn h GLU 2248CO 0.01 0.73 -0.04 0.00 -1.18 0.00 0.00 179.01 178.53 1fwn h ALA 2249N 1.32 -0.12 0.00 2.92 0.00 -1.04 -1.97 119.26 120.37 1fwn h ALA 2249Ca 0.32 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 1fwn h ALA 2249Cb -0.10 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1fwn h ALA 2249CO -0.08 -0.56 -0.25 -0.84 0.00 0.00 0.00 179.25 177.53 1fwn h ILE 2250N -0.14 0.80 -0.35 0.00 3.07 -1.05 -1.57 117.51 118.28 1fwn h ILE 2250Ca -0.01 -0.99 -0.17 0.00 1.55 0.00 0.00 64.86 65.24 1fwn h ILE 2250Cb 0.11 1.60 -0.00 0.00 -0.27 0.00 0.00 36.82 38.25 1fwn h ILE 2250CO 0.02 0.24 -0.44 -0.07 -1.05 0.00 0.00 178.15 176.86 1fwn h LEU 2251N 0.00 0.96 -0.25 0.16 3.38 -1.03 0.10 115.31 118.62 1fwn h LEU 2251Ca -0.00 -0.46 -0.06 0.00 0.09 0.00 0.00 57.88 57.44 1fwn h LEU 2251Cb 0.58 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1fwn h LEU 2251CO 0.03 1.26 -0.09 -0.33 0.09 0.00 0.00 178.44 179.40 1fwn h GLU 2252N 0.72 0.51 -0.60 1.13 5.08 -1.01 -0.52 114.58 119.88 1fwn h GLU 2252Ca 0.05 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 1fwn h GLU 2252Cb 1.03 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 1fwn h GLU 2252CO 0.10 0.75 0.20 0.82 -1.00 0.00 0.00 179.01 179.88 1fwn h ILE 2253N 0.25 1.24 -0.63 3.13 2.04 -1.26 -2.68 117.51 119.60 1fwn h ILE 2253Ca 0.06 -0.80 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 1fwn h ILE 2253Cb 0.58 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1fwn h ILE 2253CO 0.03 0.30 0.35 -0.09 0.00 0.00 0.00 178.15 178.74 1fwn h ARG 2254N 0.85 0.87 -0.52 2.37 2.43 -0.90 0.64 114.38 120.13 1fwn h ARG 2254Ca 0.20 -0.10 0.08 0.00 -0.81 0.00 0.00 59.98 59.35 1fwn h ARG 2254Cb 0.26 -0.17 -0.07 0.00 -0.42 0.00 0.00 29.97 29.57 1fwn h ARG 2254CO -0.01 0.65 0.15 1.49 -1.51 0.00 0.00 179.97 180.75 1fwn h GLU 2255N 0.85 0.30 -0.00 0.20 4.22 -0.77 0.28 114.58 119.66 1fwn h GLU 2255Ca 0.22 -0.02 -0.09 0.00 0.08 0.00 0.00 59.36 59.56 1fwn h GLU 2255Cb 0.03 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.22 1fwn h GLU 2255CO -0.04 0.20 -0.34 0.28 -2.18 0.00 0.00 179.01 176.93 1fwn h VAL 2256N 0.31 1.51 -0.25 0.32 2.07 -1.29 -3.36 116.25 115.56 1fwn h VAL 2256Ca 0.26 -1.97 -0.10 0.00 0.82 0.00 0.00 66.70 65.71 1fwn h VAL 2256Cb 0.32 2.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.79 1fwn h VAL 2256CO -0.30 0.55 -0.27 0.00 0.02 0.00 0.00 177.57 177.57 1fwn h ALA 2257N 0.28 1.07 -1.07 1.67 0.00 -0.66 -3.21 119.26 117.33 1fwn h ALA 2257Ca -0.04 -0.36 0.31 0.00 0.00 0.00 0.00 54.91 54.82 1fwn h ALA 2257Cb 1.08 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 1fwn h ALA 2257CO 0.07 0.57 0.76 0.66 0.00 0.00 0.00 179.25 181.31 1fwn h SER 2258N 0.43 0.06 -0.47 0.00 4.64 -0.59 0.22 113.55 117.84 1fwn h SER 2258Ca 0.06 0.01 0.14 0.00 -0.47 0.00 0.00 61.79 61.53 1fwn h SER 2258Cb 0.70 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.77 1fwn h SER 2258CO 0.05 0.01 0.35 0.50 -0.87 0.00 0.00 176.83 176.88 1fwn h LYS 2259N 0.05 0.00 -0.28 4.77 3.64 -1.76 -2.09 116.57 120.90 1fwn h LYS 2259Ca 0.52 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.90 1fwn h LYS 2259Cb 1.99 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.81 1fwn h LYS 2259CO -0.04 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.80 1fwn n TYR 2260N -4.34 0.36 -1.80 1.91 4.02 0.78 -4.98 117.16 113.11 1fwn n TYR 2260Ca 0.08 -0.24 -0.42 0.00 -0.01 0.00 0.00 57.90 57.32 1fwn n TYR 2260Cb 0.56 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.85 1fwn n TYR 2260CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1fwn s TYR 2261N -1.26 2.93 0.59 -0.72 2.02 -0.79 -4.95 117.35 115.16 1fwn s TYR 2261Ca 0.29 0.52 -0.18 0.00 -0.37 0.00 0.00 57.07 57.33 1fwn s TYR 2261Cb 0.17 -4.06 -0.04 0.00 -0.40 0.00 0.00 41.96 37.63 1fwn s TYR 2261CO 0.24 -3.90 1.12 -1.21 -1.57 0.00 0.00 175.55 170.23 1fwn s GLU 2262N 0.83 3.15 -0.05 -0.62 8.01 -1.26 -5.00 118.70 123.75 1fwn s GLU 2262Ca 0.71 1.52 -0.27 0.00 0.01 0.00 0.00 54.97 56.94 1fwn s GLU 2262Cb -0.48 -1.99 -0.03 0.00 -4.31 0.00 0.00 34.13 27.33 1fwn s GLU 2262CO 0.35 -1.00 0.87 0.99 0.01 0.00 0.00 175.26 176.48 1fwn s THR 2263N -1.99 4.92 0.00 3.63 2.01 -1.26 -5.16 115.64 117.79 1fwn s THR 2263Ca 0.70 1.80 0.00 0.00 0.31 0.00 0.00 61.69 64.51 1fwn s THR 2263Cb -0.23 -4.21 0.00 0.00 0.01 0.00 0.00 72.50 68.08 1fwn s THR 2263CO 0.32 0.16 0.00 0.00 -0.69 0.00 0.00 174.62 174.41