#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t99 s PHE 2004N 0.00 3.04 -0.15 5.58 2.19 -1.26 -4.75 117.98 122.63 1t99 s PHE 2004Ca 0.00 1.07 -0.09 0.00 0.33 0.00 0.00 56.93 58.24 1t99 s PHE 2004Cb 0.00 -3.79 -0.05 0.00 -1.31 0.00 0.00 43.02 37.88 1t99 s PHE 2004CO 0.00 -2.53 0.15 -1.17 1.83 0.00 0.00 175.22 173.50 1t99 s LEU 2005N -0.44 4.31 -0.24 6.12 2.96 -0.78 -0.31 118.68 130.29 1t99 s LEU 2005Ca 0.58 0.39 -0.00 0.00 -0.22 0.00 0.00 54.13 54.88 1t99 s LEU 2005Cb -0.41 -2.11 0.07 0.00 0.50 0.00 0.00 46.19 44.23 1t99 s LEU 2005CO 0.43 0.29 0.01 -0.69 -1.32 0.00 0.00 176.35 175.08 1t99 s VAL 2006N -0.37 1.13 -0.29 1.68 1.01 -0.79 -0.26 120.40 122.52 1t99 s VAL 2006Ca 0.12 -1.12 -0.11 0.00 0.00 0.00 0.00 61.98 60.88 1t99 s VAL 2006Cb -0.12 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 1t99 s VAL 2006CO 0.02 -0.28 0.18 -0.63 0.00 0.00 0.00 175.10 174.39 1t99 s ILE 2007N 1.55 5.08 0.10 2.22 1.01 0.10 -1.33 121.20 129.93 1t99 s ILE 2007Ca -0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 60.65 60.52 1t99 s ILE 2007Cb -0.18 -3.48 -0.00 0.00 0.01 0.00 0.00 42.46 38.81 1t99 s ILE 2007CO -0.11 0.18 0.21 0.00 0.00 0.00 0.00 174.94 175.22 1t99 s ALA 2008N 1.71 -0.20 0.00 9.38 0.00 -0.59 -0.41 121.76 131.65 1t99 s ALA 2008Ca 0.06 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1t99 s ALA 2008Cb -0.16 0.55 0.00 0.00 0.00 0.00 0.00 23.12 23.50 1t99 s ALA 2008CO 0.09 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 175.73 1t99 n GLY 2009N -0.09 0.58 3.79 0.00 0.00 -1.14 -0.32 105.19 108.01 1t99 n GLY 2009Ca -0.14 -1.37 -0.35 0.00 0.00 0.00 0.00 46.02 44.17 1t99 n GLY 2009CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1t99 s PRO 2010N -1.88 3.86 0.10 1.61 0.04 -1.06 -0.54 135.00 137.14 1t99 s PRO 2010Ca 0.00 1.40 -0.33 0.00 0.04 0.00 0.00 61.00 62.11 1t99 s PRO 2010Cb 0.00 -2.18 -0.13 0.00 0.04 0.00 0.00 34.50 32.23 1t99 s PRO 2010CO 0.00 -0.38 1.58 0.00 0.04 0.00 0.00 177.00 178.24 1t99 s ALA 2012N -5.90 3.03 -1.22 0.00 0.00 -1.26 -1.25 121.76 115.16 1t99 s ALA 2012Ca -0.17 -1.20 -0.20 0.00 0.00 0.00 0.00 51.96 50.39 1t99 s ALA 2012Cb 0.06 -0.98 0.03 0.00 0.00 0.00 0.00 23.12 22.23 1t99 s ALA 2012CO 0.62 0.65 1.74 0.42 0.00 0.00 0.00 175.76 179.20 1t99 s ILE 2013N -1.22 3.95 0.38 0.00 1.01 0.13 -4.72 121.20 120.73 1t99 s ILE 2013Ca 0.22 -1.49 0.29 0.00 0.00 0.00 0.00 60.65 59.66 1t99 s ILE 2013Cb -0.11 -5.01 0.30 0.00 0.01 0.00 0.00 42.46 37.65 1t99 s ILE 2013CO 0.14 -1.77 2.06 -0.33 0.00 0.00 0.00 174.94 175.04 1t99 h GLU 2014N 8.47 0.00 0.00 2.79 5.08 -1.96 -3.42 114.58 125.54 1t99 h GLU 2014Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1t99 h GLU 2014Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1t99 h GLU 2014CO 1.40 0.11 0.00 -1.13 -1.00 0.00 0.00 179.01 178.39 1t99 n SER 2015N -3.54 0.00 0.32 1.42 3.41 -1.26 -4.98 113.62 108.98 1t99 n SER 2015Ca -0.01 0.00 0.20 0.00 -0.26 0.00 0.00 58.87 58.80 1t99 n SER 2015Cb 0.25 0.00 1.03 0.00 -0.26 0.00 0.00 64.21 65.23 1t99 n SER 2015CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1t99 h GLU 2016N 0.00 0.00 0.59 4.33 4.11 -1.92 -2.03 114.58 119.65 1t99 h GLU 2016Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 1t99 h GLU 2016Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1t99 h GLU 2016CO 0.00 0.01 -0.28 1.49 0.07 0.00 0.00 179.01 180.30 1t99 h GLU 2017N 0.00 -0.76 -1.00 1.06 4.81 -1.97 -1.35 114.58 115.37 1t99 h GLU 2017Ca -0.00 0.05 0.12 0.00 -0.13 0.00 0.00 59.36 59.40 1t99 h GLU 2017Cb 0.17 0.17 -0.08 0.00 0.63 0.00 0.00 28.75 29.64 1t99 h GLU 2017CO 0.00 -0.45 0.63 1.25 -0.73 0.00 0.00 179.01 179.71 1t99 h LEU 2018N -0.95 0.92 -1.46 1.64 5.85 -1.77 -0.12 115.31 119.42 1t99 h LEU 2018Ca -0.08 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 1t99 h LEU 2018Cb 0.65 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1t99 h LEU 2018CO 0.13 0.49 0.05 -0.07 -0.34 0.00 0.00 178.44 178.71 1t99 h LEU 2019N 0.99 0.37 -0.29 2.25 3.38 -1.17 -1.86 115.31 118.98 1t99 h LEU 2019Ca 0.49 -0.04 -0.19 0.00 0.09 0.00 0.00 57.88 58.23 1t99 h LEU 2019Cb 0.48 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1t99 h LEU 2019CO -0.26 0.39 -0.87 -0.07 0.09 0.00 0.00 178.44 177.72 1t99 h LEU 2020N 0.40 0.18 -0.38 1.67 3.38 0.12 0.13 115.31 120.81 1t99 h LEU 2020Ca 0.09 -0.15 -0.16 0.00 0.09 0.00 0.00 57.88 57.76 1t99 h LEU 2020Cb 0.18 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1t99 h LEU 2020CO -0.00 0.96 -0.37 0.50 0.09 0.00 0.00 178.44 179.62 1t99 h LYS 2021N 0.07 0.92 -0.18 1.13 3.64 -0.89 -1.47 116.57 119.79 1t99 h LYS 2021Ca -0.04 -0.48 -0.18 0.00 -1.27 0.00 0.00 60.65 58.68 1t99 h LYS 2021Cb 1.51 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 33.35 1t99 h LYS 2021CO 0.13 1.14 -0.59 0.28 -2.27 0.00 0.00 179.45 178.14 1t99 h VAL 2022N 0.74 1.30 -0.42 2.00 2.07 -1.35 -3.14 116.25 117.46 1t99 h VAL 2022Ca 0.06 -1.81 0.05 0.00 0.82 0.00 0.00 66.70 65.82 1t99 h VAL 2022Cb 0.96 1.92 -0.02 0.00 -1.52 0.00 0.00 31.29 32.63 1t99 h VAL 2022CO 0.09 0.57 0.28 1.23 0.02 0.00 0.00 177.57 179.77 1t99 h GLY 2023N 0.43 0.43 0.91 2.17 0.00 -0.62 -1.48 103.07 104.91 1t99 h GLY 2023Ca -0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 1t99 h GLY 2023CO 0.12 0.12 0.10 -2.09 0.00 0.00 0.00 176.54 174.79 1t99 h GLU 2024N 0.36 0.37 -0.54 4.80 4.81 -1.21 0.18 114.58 123.34 1t99 h GLU 2024Ca 0.18 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.24 1t99 h GLU 2024Cb 0.26 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1t99 h GLU 2024CO -0.04 0.40 -0.09 1.49 -0.73 0.00 0.00 179.01 180.04 1t99 h GLU 2025N 0.25 1.02 -0.07 1.92 4.57 -1.42 -0.97 114.58 119.88 1t99 h GLU 2025Ca 0.08 -0.37 -0.10 0.00 -1.18 0.00 0.00 59.36 57.80 1t99 h GLU 2025Cb 0.17 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 1t99 h GLU 2025CO -0.01 1.05 -0.40 0.82 -1.18 0.00 0.00 179.01 179.30 1t99 h ILE 2026N 0.89 1.30 -0.06 2.32 2.04 -1.18 -1.05 117.51 121.77 1t99 h ILE 2026Ca 0.14 -1.45 -0.01 0.00 1.00 0.00 0.00 64.86 64.55 1t99 h ILE 2026Cb 0.65 1.69 -0.00 0.00 -0.74 0.00 0.00 36.82 38.42 1t99 h ILE 2026CO 0.05 0.42 0.02 0.50 0.00 0.00 0.00 178.15 179.14 1t99 h LYS 2027N 0.12 0.10 -0.43 2.37 1.63 -0.55 0.26 116.57 120.07 1t99 h LYS 2027Ca 0.01 -0.03 0.05 0.00 -0.85 0.00 0.00 60.65 59.83 1t99 h LYS 2027Cb 0.76 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.33 1t99 h LYS 2027CO 0.06 0.30 0.18 -0.09 -3.45 0.00 0.00 179.45 176.45 1t99 h ARG 2028N -0.11 0.36 -0.38 1.90 2.43 -0.74 -0.23 114.38 117.61 1t99 h ARG 2028Ca 0.02 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 1t99 h ARG 2028Cb 0.24 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1t99 h ARG 2028CO 0.00 0.24 -0.07 -0.07 -1.51 0.00 0.00 179.97 178.56 1t99 h LEU 2029N 0.38 0.62 -1.02 3.80 -0.00 -1.17 -1.07 115.31 116.85 1t99 h LEU 2029Ca 0.20 -0.16 0.05 0.00 -0.00 0.00 0.00 57.88 57.97 1t99 h LEU 2029Cb 0.15 -0.17 -0.06 0.00 -0.00 0.00 0.00 40.66 40.58 1t99 h LEU 2029CO -0.17 0.74 0.65 -1.28 -0.00 0.00 0.00 178.44 178.38 1t99 h SER 2030N 0.60 1.07 0.85 -0.43 0.87 0.33 0.27 113.55 117.12 1t99 h SER 2030Ca 0.11 -0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.53 1t99 h SER 2030Cb 0.48 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 1t99 h SER 2030CO 0.03 0.71 -0.67 -0.33 -0.53 0.00 0.00 176.83 176.04 1t99 h GLU 2031N 1.23 0.00 0.14 2.24 4.39 -0.35 -3.29 114.58 118.94 1t99 h GLU 2031Ca 0.41 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.83 1t99 h GLU 2031Cb 0.06 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1t99 h GLU 2031CO -0.14 0.67 -1.31 -0.22 -1.16 0.00 0.00 179.01 176.85 1t99 h LYS 2032N 0.00 0.29 -2.38 2.33 3.64 0.03 -3.38 116.57 117.11 1t99 h LYS 2032Ca -0.01 -0.50 -0.66 0.00 -1.27 0.00 0.00 60.65 58.22 1t99 h LYS 2032Cb 1.27 0.18 -0.38 0.00 -0.41 0.00 0.00 32.23 32.90 1t99 h LYS 2032CO 0.09 1.22 -0.20 1.19 -2.27 0.00 0.00 179.45 179.48 1t99 n PHE 2033N -3.53 3.33 0.30 1.91 3.01 0.84 -4.87 117.46 118.44 1t99 n PHE 2033Ca -0.10 -3.69 0.14 0.00 1.01 0.00 0.00 57.45 54.81 1t99 n PHE 2033Cb 1.03 -0.74 0.75 0.00 -0.01 0.00 0.00 39.48 40.51 1t99 n PHE 2033CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1t99 h LYS 2034N 4.34 0.00 0.00 -1.08 1.79 -1.75 0.25 116.57 120.11 1t99 h LYS 2034Ca 0.21 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.64 1t99 h LYS 2034Cb 0.62 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.26 1t99 h LYS 2034CO 0.97 0.00 -0.17 1.05 -1.08 0.00 0.00 179.45 180.22 1t99 h GLU 2035N 0.00 0.00 -5.56 3.15 4.11 -1.90 -3.45 114.58 110.93 1t99 h GLU 2035Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.36 58.78 1t99 h GLU 2035Cb 0.61 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.78 1t99 h GLU 2035CO 0.00 0.17 -0.47 0.08 0.07 0.00 0.00 179.01 178.86 1t99 s VAL 2036N -3.34 5.47 -0.56 -1.06 1.01 0.86 -4.02 120.40 118.77 1t99 s VAL 2036Ca 0.04 0.23 -0.20 0.00 0.00 0.00 0.00 61.98 62.05 1t99 s VAL 2036Cb 0.08 -3.43 0.07 0.00 0.00 0.00 0.00 36.38 33.10 1t99 s VAL 2036CO 0.66 0.57 0.73 -0.70 0.00 0.00 0.00 175.10 176.36 1t99 s GLU 2037N -0.68 3.11 0.36 2.72 2.12 0.58 -4.96 118.70 121.95 1t99 s GLU 2037Ca 0.14 -0.97 -0.19 0.00 0.36 0.00 0.00 54.97 54.30 1t99 s GLU 2037Cb -0.12 -4.17 -0.10 0.00 0.26 0.00 0.00 34.13 30.00 1t99 s GLU 2037CO 0.03 -1.43 0.85 -0.06 -0.54 0.00 0.00 175.26 174.11 1t99 s PHE 2038N 2.96 3.41 -0.04 5.30 0.40 -1.26 -1.88 117.98 126.87 1t99 s PHE 2038Ca 0.16 1.48 -0.01 0.00 -0.60 0.00 0.00 56.93 57.96 1t99 s PHE 2038Cb -0.20 -2.73 0.03 0.00 0.51 0.00 0.00 43.02 40.63 1t99 s PHE 2038CO 0.10 0.05 0.04 0.08 0.70 0.00 0.00 175.22 176.19 1t99 s VAL 2039N -1.97 0.03 -0.07 -0.44 1.01 -0.44 -4.20 120.40 114.32 1t99 s VAL 2039Ca 0.56 0.31 -0.30 0.00 0.00 0.00 0.00 61.98 62.55 1t99 s VAL 2039Cb -0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 36.00 1t99 s VAL 2039CO 0.17 0.19 1.06 0.12 0.00 0.00 0.00 175.10 176.64 1t99 s PHE 2040N 1.90 3.45 0.01 5.22 5.36 -0.07 -1.54 117.98 132.31 1t99 s PHE 2040Ca 0.02 1.49 0.08 0.00 -0.96 0.00 0.00 56.93 57.56 1t99 s PHE 2040Cb -0.12 -3.25 -0.02 0.00 -0.34 0.00 0.00 43.02 39.28 1t99 s PHE 2040CO -0.03 -0.54 -0.23 0.21 -1.46 0.00 0.00 175.22 173.17 1t99 s LYS 2041N 1.86 1.73 -0.27 10.12 2.36 0.56 -1.70 119.74 134.40 1t99 s LYS 2041Ca 0.51 -0.91 -0.26 0.00 -2.55 0.00 0.00 55.97 52.76 1t99 s LYS 2041Cb -0.21 -1.76 0.15 0.00 -1.05 0.00 0.00 37.83 34.96 1t99 s LYS 2041CO 0.21 0.47 1.17 0.45 1.55 0.00 0.00 175.35 179.21 1t99 s SER 2042N -0.84 -0.29 -0.11 1.43 0.15 -1.18 -3.30 113.70 109.56 1t99 s SER 2042Ca 0.09 0.50 -0.13 0.00 0.70 0.00 0.00 55.95 57.11 1t99 s SER 2042Cb -0.09 0.49 -0.05 0.00 -1.71 0.00 0.00 66.02 64.66 1t99 s SER 2042CO 0.00 -0.13 0.30 -0.44 1.20 0.00 0.00 173.24 174.17 1t99 s SER 2043N -0.15 6.52 0.00 5.45 0.01 -0.38 -4.50 113.70 120.65 1t99 s SER 2043Ca 0.04 0.62 0.28 0.00 1.31 0.00 0.00 55.95 58.20 1t99 s SER 2043Cb -0.04 -2.18 1.10 0.00 0.21 0.00 0.00 66.02 65.11 1t99 s SER 2043CO -0.08 0.20 1.82 2.22 0.41 0.00 0.00 173.24 177.81 1t99 n PHE 2044N 2.90 0.00 -3.64 2.43 1.16 -1.26 -0.69 117.46 118.35 1t99 n PHE 2044Ca -0.14 0.00 -0.06 0.00 -1.87 0.00 0.00 57.45 55.38 1t99 n PHE 2044Cb 0.52 -0.38 -0.07 0.00 -1.61 0.00 0.00 39.48 37.94 1t99 n PHE 2044CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1t99 s ASP 2045N -2.89 -0.96 -0.92 5.98 2.15 -1.25 -3.71 116.67 115.06 1t99 s ASP 2045Ca 0.17 1.51 -0.16 0.00 0.43 0.00 0.00 52.55 54.50 1t99 s ASP 2045Cb 0.19 1.49 0.18 0.00 -0.30 0.00 0.00 42.92 44.48 1t99 s ASP 2045CO 0.55 -0.23 1.00 -0.54 -0.17 0.00 0.00 175.17 175.78 1t99 s LYS 2046N 1.78 3.68 0.37 4.34 -0.14 0.33 -4.88 119.74 125.22 1t99 s LYS 2046Ca -0.10 -2.20 0.28 0.00 -1.36 0.00 0.00 55.97 52.59 1t99 s LYS 2046Cb -0.06 -4.71 1.20 0.00 -1.68 0.00 0.00 37.83 32.58 1t99 s LYS 2046CO -0.20 -1.54 1.82 0.00 -0.76 0.00 0.00 175.35 174.68 1t99 h ALA 2047N 8.15 1.00 -1.20 5.17 0.00 -1.95 -3.34 119.26 127.08 1t99 h ALA 2047Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.63 1t99 h ALA 2047Cb 1.01 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.39 1t99 h ALA 2047CO 0.96 0.00 -1.06 0.27 0.00 0.00 0.00 179.25 179.42 1t99 n ASN 2048N -2.54 2.34 -4.77 0.00 6.94 -1.26 -5.09 115.26 110.89 1t99 n ASN 2048Ca 0.01 -3.01 -0.35 0.00 -0.02 0.00 0.00 54.58 51.21 1t99 n ASN 2048Cb 0.22 -0.52 0.00 0.00 -2.36 0.00 0.00 39.78 37.13 1t99 n ASN 2048CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1t99 s ARG 2049N -3.21 3.35 0.14 -3.83 1.81 -1.25 -4.92 118.95 111.03 1t99 s ARG 2049Ca 0.34 1.65 -0.17 0.00 -1.72 0.00 0.00 55.73 55.83 1t99 s ARG 2049Cb 0.44 -2.03 -0.01 0.00 -0.45 0.00 0.00 34.95 32.89 1t99 s ARG 2049CO -0.03 -0.86 1.78 0.77 -0.68 0.00 0.00 175.30 176.28 1t99 h SER 2050N 1.24 0.42 -2.85 0.23 0.02 -1.97 -3.43 113.55 107.21 1t99 h SER 2050Ca -0.50 -0.04 -0.64 0.00 -0.84 0.00 0.00 61.79 59.77 1t99 h SER 2050Cb 1.26 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 63.64 1t99 h SER 2050CO 0.57 0.33 -0.35 -0.55 -1.14 0.00 0.00 176.83 175.70 1t99 s SER 2051N -5.56 6.58 0.48 3.07 0.15 -1.26 -4.99 113.70 112.17 1t99 s SER 2051Ca -0.13 0.69 0.25 0.00 0.70 0.00 0.00 55.95 57.46 1t99 s SER 2051Cb 0.10 -2.16 1.22 0.00 -1.71 0.00 0.00 66.02 63.47 1t99 s SER 2051CO 0.72 0.35 1.97 -0.29 1.20 0.00 0.00 173.24 177.20 1t99 h ILE 2052N 3.90 0.65 -0.46 6.45 6.09 -2.03 -2.84 117.51 129.27 1t99 h ILE 2052Ca -0.53 -0.79 -0.23 0.00 -1.37 0.00 0.00 64.86 61.94 1t99 h ILE 2052Cb 1.22 1.50 -0.14 0.00 0.47 0.00 0.00 36.82 39.88 1t99 h ILE 2052CO 0.61 0.18 0.29 1.41 -3.07 0.00 0.00 178.15 177.57 1t99 n HIS 2053N -3.62 1.43 -4.03 2.19 8.25 -1.26 -4.92 115.22 113.25 1t99 n HIS 2053Ca -0.01 -1.09 -0.23 0.00 -0.26 0.00 0.00 57.72 56.13 1t99 n HIS 2053Cb 0.31 -0.56 -0.06 0.00 1.12 0.00 0.00 29.99 30.80 1t99 n HIS 2053CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1t99 s SER 2054N -0.11 4.72 0.07 0.41 0.01 -1.07 -5.09 113.70 112.65 1t99 s SER 2054Ca 0.27 -0.80 -0.31 0.00 1.31 0.00 0.00 55.95 56.43 1t99 s SER 2054Cb 0.23 -0.69 -0.06 0.00 0.21 0.00 0.00 66.02 65.70 1t99 s SER 2054CO 0.05 -0.37 1.29 0.12 0.41 0.00 0.00 173.24 174.74 1t99 s PHE 2055N -2.45 3.31 -0.12 2.43 5.36 -1.26 -4.91 117.98 120.33 1t99 s PHE 2055Ca 0.39 1.12 0.02 0.00 -0.96 0.00 0.00 56.93 57.50 1t99 s PHE 2055Cb -0.02 -3.54 -0.09 0.00 -0.34 0.00 0.00 43.02 39.03 1t99 s PHE 2055CO 0.23 -1.81 -0.10 0.54 -1.46 0.00 0.00 175.22 172.63 1t99 n ARG 2056N 4.10 0.52 -0.73 10.12 1.74 -1.26 -4.72 116.66 126.43 1t99 n ARG 2056Ca 0.10 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 1t99 n ARG 2056Cb 0.45 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.63 1t99 n ARG 2056CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1t99 n GLY 2057N 2.85 0.71 0.03 -0.13 0.00 -1.26 -0.51 105.19 106.88 1t99 n GLY 2057Ca -0.22 -1.74 0.02 0.00 0.00 0.00 0.00 46.02 44.08 1t99 n GLY 2057CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1t99 n HIS 2058N 9.00 0.02 0.00 1.61 8.25 -1.25 -5.06 115.22 127.78 1t99 n HIS 2058Ca 0.00 -0.58 0.00 0.00 -0.26 0.00 0.00 57.72 56.88 1t99 n HIS 2058Cb 0.00 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.04 1t99 n HIS 2058CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1t99 n GLY 2059N -0.61 2.39 0.13 -1.41 0.00 -1.24 -4.42 105.19 100.02 1t99 n GLY 2059Ca 0.03 -1.90 -0.11 0.00 0.00 0.00 0.00 46.02 44.04 1t99 n GLY 2059CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1t99 h LEU 2060N 0.00 0.33 0.01 0.99 5.85 -1.99 -1.43 115.31 119.07 1t99 h LEU 2060Ca 0.00 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 1t99 h LEU 2060Cb 0.00 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.94 1t99 h LEU 2060CO 0.00 0.50 -0.01 -0.33 -0.34 0.00 0.00 178.44 178.26 1t99 h GLU 2061N 0.15 -0.02 -0.74 1.25 5.08 -1.97 0.20 114.58 118.53 1t99 h GLU 2061Ca 0.07 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1t99 h GLU 2061Cb 0.31 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 1t99 h GLU 2061CO 0.00 0.01 0.38 -0.92 -1.00 0.00 0.00 179.01 177.49 1t99 h TYR 2062N -0.04 1.03 -0.09 4.33 3.20 -1.77 -1.82 116.97 121.82 1t99 h TYR 2062Ca -0.00 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 1t99 h TYR 2062Cb 0.03 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 37.98 1t99 h TYR 2062CO -0.07 0.73 -0.04 0.78 -1.64 0.00 0.00 178.16 177.92 1t99 h GLY 2063N 1.09 0.21 1.14 1.82 0.00 -0.89 -1.42 103.07 105.02 1t99 h GLY 2063Ca 0.26 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1t99 h GLY 2063CO -0.04 0.17 0.55 -2.08 0.00 0.00 0.00 176.54 175.14 1t99 h VAL 2064N -0.17 1.23 -0.36 4.60 2.07 -0.52 -0.34 116.25 122.76 1t99 h VAL 2064Ca 0.02 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 1t99 h VAL 2064Cb 0.49 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1t99 h VAL 2064CO 0.01 0.23 0.11 0.50 0.02 0.00 0.00 177.57 178.44 1t99 h LYS 2065N 1.17 0.56 -0.74 1.57 3.64 -1.28 -0.15 116.57 121.35 1t99 h LYS 2065Ca 0.31 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.54 1t99 h LYS 2065Cb -0.10 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.61 1t99 h LYS 2065CO -0.06 0.58 0.33 0.00 -2.27 0.00 0.00 179.45 178.03 1t99 h ALA 2066N 0.95 0.96 -0.18 5.00 0.00 -0.57 -1.61 119.26 123.82 1t99 h ALA 2066Ca 0.12 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1t99 h ALA 2066Cb 0.26 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1t99 h ALA 2066CO -0.00 0.55 -0.38 -0.07 0.00 0.00 0.00 179.25 179.35 1t99 h LEU 2067N 1.06 0.42 -0.68 0.00 3.38 -0.92 -2.48 115.31 116.08 1t99 h LEU 2067Ca 0.25 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1t99 h LEU 2067Cb 0.16 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1t99 h LEU 2067CO -0.03 0.77 0.45 -0.09 0.09 0.00 0.00 178.44 179.63 1t99 h ARG 2068N 0.34 0.88 -0.60 1.13 2.43 -0.49 -0.74 114.38 117.33 1t99 h ARG 2068Ca 0.03 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1t99 h ARG 2068Cb 0.83 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.15 1t99 h ARG 2068CO 0.07 0.58 0.40 -0.22 -1.51 0.00 0.00 179.97 179.29 1t99 h LYS 2069N 0.91 0.75 -0.07 0.20 1.63 -0.86 -0.01 116.57 119.11 1t99 h LYS 2069Ca 0.26 -0.05 -0.09 0.00 -0.85 0.00 0.00 60.65 59.92 1t99 h LYS 2069Cb -0.08 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.39 1t99 h LYS 2069CO -0.07 0.50 -0.31 0.28 -3.45 0.00 0.00 179.45 176.39 1t99 h VAL 2070N 0.77 1.42 -0.00 2.00 2.07 -1.05 -0.20 116.25 121.26 1t99 h VAL 2070Ca 0.23 -1.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.01 1t99 h VAL 2070Cb -0.03 2.31 -0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1t99 h VAL 2070CO -0.05 0.49 -0.10 0.50 0.02 0.00 0.00 177.57 178.43 1t99 h LYS 2071N -0.15 0.00 0.00 1.57 3.64 -0.74 -0.10 116.57 120.79 1t99 h LYS 2071Ca -0.02 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1t99 h LYS 2071Cb 0.96 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1t99 h LYS 2071CO 0.07 0.10 -0.21 1.49 -2.27 0.00 0.00 179.45 178.63 1t99 h GLU 2072N 0.00 0.00 -0.59 1.90 4.81 -0.97 -1.47 114.58 118.26 1t99 h GLU 2072Ca -0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1t99 h GLU 2072Cb 0.17 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1t99 h GLU 2072CO 0.01 0.71 0.04 1.49 -0.73 0.00 0.00 179.01 180.54 1t99 h GLU 2073N -1.00 0.99 -0.00 1.92 4.81 -0.99 -3.33 114.58 116.99 1t99 h GLU 2073Ca -0.05 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1t99 h GLU 2073Cb 0.78 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1t99 h GLU 2073CO -0.03 0.95 -0.37 1.19 -0.73 0.00 0.00 179.01 180.02 1t99 n PHE 2074N -4.20 0.00 -1.70 0.92 3.72 -0.06 -5.00 117.46 111.14 1t99 n PHE 2074Ca 0.03 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.27 1t99 n PHE 2074Cb 0.31 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.80 1t99 n PHE 2074CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1t99 n GLY 2075N 1.10 1.10 3.86 1.37 0.00 -0.55 -4.99 105.19 107.08 1t99 n GLY 2075Ca 0.03 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 1t99 n GLY 2075CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t99 s LEU 2076N -3.94 4.00 0.76 0.99 1.43 -1.25 -5.03 118.68 115.64 1t99 s LEU 2076Ca 0.00 1.15 -0.11 0.00 -1.03 0.00 0.00 54.13 54.14 1t99 s LEU 2076Cb 0.00 -3.97 0.05 0.00 0.03 0.00 0.00 46.19 42.29 1t99 s LEU 2076CO 0.00 -0.25 1.08 -0.54 0.23 0.00 0.00 176.35 176.87 1t99 s LYS 2077N -3.26 2.38 0.13 1.70 1.02 -1.26 -4.45 119.74 116.00 1t99 s LYS 2077Ca 0.52 0.93 0.06 0.00 0.02 0.00 0.00 55.97 57.51 1t99 s LYS 2077Cb -0.10 -1.93 -0.04 0.00 -0.52 0.00 0.00 37.83 35.24 1t99 s LYS 2077CO 0.23 -1.49 -0.15 0.42 -0.92 0.00 0.00 175.35 173.44 1t99 s ILE 2078N -3.02 1.43 -0.23 2.17 -1.09 -1.26 -0.89 121.20 118.32 1t99 s ILE 2078Ca 0.60 -1.79 -0.16 0.00 -2.23 0.00 0.00 60.65 57.07 1t99 s ILE 2078Cb -0.15 -1.63 0.07 0.00 -1.58 0.00 0.00 42.46 39.17 1t99 s ILE 2078CO 0.55 -0.42 0.58 0.28 -1.23 0.00 0.00 174.94 174.71 1t99 s THR 2079N -2.20 -0.01 0.13 2.92 -1.32 -0.69 -0.55 115.64 113.92 1t99 s THR 2079Ca 0.11 0.03 -0.07 0.00 -1.21 0.00 0.00 61.69 60.55 1t99 s THR 2079Cb -0.05 -0.83 -0.02 0.00 -1.51 0.00 0.00 72.50 70.10 1t99 s THR 2079CO 0.04 0.01 0.19 0.28 -2.21 0.00 0.00 174.62 172.92 1t99 s THR 2080N 1.13 0.11 0.01 5.08 -1.32 -1.23 -3.12 115.64 116.30 1t99 s THR 2080Ca -0.07 -1.46 -0.01 0.00 -1.21 0.00 0.00 61.69 58.94 1t99 s THR 2080Cb -0.06 -1.70 -0.04 0.00 -1.51 0.00 0.00 72.50 69.19 1t99 s THR 2080CO -0.11 -0.50 0.15 1.51 -2.21 0.00 0.00 174.62 173.47 1t99 s ASP 2081N -2.95 6.11 0.17 8.08 -4.77 -1.26 -0.91 116.67 121.15 1t99 s ASP 2081Ca 0.14 0.25 0.07 0.00 -3.30 0.00 0.00 52.55 49.70 1t99 s ASP 2081Cb 0.05 -1.85 -0.04 0.00 -1.09 0.00 0.00 42.92 39.99 1t99 s ASP 2081CO -0.04 0.24 0.05 0.27 0.70 0.00 0.00 175.17 176.39 1t99 s ILE 2082N -1.33 3.98 -0.00 2.11 -4.36 -0.71 -4.79 121.20 116.11 1t99 s ILE 2082Ca 0.28 -1.32 0.00 0.00 -0.26 0.00 0.00 60.65 59.35 1t99 s ILE 2082Cb -0.12 -3.02 -0.00 0.00 1.25 0.00 0.00 42.46 40.57 1t99 s ILE 2082CO 0.19 -0.12 0.00 1.41 0.24 0.00 0.00 174.94 176.66 1t99 n HIS 2083N -0.23 0.00 -3.84 1.37 8.25 -1.26 -4.38 115.22 115.12 1t99 n HIS 2083Ca -0.09 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.26 1t99 n HIS 2083Cb 0.55 -0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.57 1t99 n HIS 2083CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1t99 s GLU 2084N -1.52 0.60 0.33 -0.41 2.02 -1.26 -5.07 118.70 113.39 1t99 s GLU 2084Ca -0.00 -0.46 0.11 0.00 0.02 0.00 0.00 54.97 54.63 1t99 s GLU 2084Cb 0.00 0.25 0.91 0.00 0.10 0.00 0.00 34.13 35.40 1t99 s GLU 2084CO 0.00 -0.16 1.74 0.77 0.02 0.00 0.00 175.26 177.63 1t99 h SER 2085N 3.85 0.65 0.47 -0.19 0.02 -1.91 -2.02 113.55 114.42 1t99 h SER 2085Ca -0.31 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1t99 h SER 2085Cb 1.19 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1t99 h SER 2085CO 0.44 0.11 0.00 4.11 -1.14 0.00 0.00 176.83 180.35 1t99 h TRP 2086N 0.56 0.00 0.00 3.45 5.08 -1.97 -2.87 115.95 120.20 1t99 h TRP 2086Ca 0.64 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.61 1t99 h TRP 2086Cb 1.26 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.42 1t99 h TRP 2086CO -0.01 0.00 -0.34 1.04 -1.28 0.00 0.00 178.44 177.85 1t99 n GLN 2087N -2.72 0.21 0.02 0.12 6.02 -0.76 -4.30 117.38 115.97 1t99 n GLN 2087Ca -0.00 0.10 -0.10 0.00 -0.01 0.00 0.00 57.00 56.99 1t99 n GLN 2087Cb 0.17 -1.67 -0.04 0.00 1.02 0.00 0.00 30.24 29.71 1t99 n GLN 2087CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1t99 h ALA 2088N 2.64 -0.06 0.34 -1.58 0.00 -1.66 -2.46 119.26 116.48 1t99 h ALA 2088Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1t99 h ALA 2088Cb 0.68 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1t99 h ALA 2088CO 0.00 -0.58 -0.16 0.93 0.00 0.00 0.00 179.25 179.44 1t99 h GLU 2089N -0.15 -0.44 -0.94 0.00 4.39 -1.81 0.28 114.58 115.91 1t99 h GLU 2089Ca 0.06 0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.86 1t99 h GLU 2089Cb 0.24 0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 28.93 1t99 h GLU 2089CO -0.16 -0.20 0.61 -1.00 -1.16 0.00 0.00 179.01 177.10 1t99 h PRO 2090N -0.61 1.06 -0.52 2.33 0.13 -1.79 -2.07 132.00 130.54 1t99 h PRO 2090Ca -0.05 -0.06 -0.12 0.00 -0.87 0.00 0.00 66.00 64.90 1t99 h PRO 2090Cb 0.44 -0.24 -0.02 0.00 0.13 0.00 0.00 31.00 31.32 1t99 h PRO 2090CO 0.08 0.70 -0.13 0.28 -0.23 0.00 0.00 178.00 178.70 1t99 h VAL 2091N 1.10 1.27 0.00 1.56 2.07 -1.37 -2.90 116.25 117.97 1t99 h VAL 2091Ca 0.40 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.64 1t99 h VAL 2091Cb 0.17 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1t99 h VAL 2091CO -0.15 0.45 0.02 0.00 0.02 0.00 0.00 177.57 177.91 1t99 n ALA 2092N -2.50 1.00 -0.21 1.67 0.00 0.08 -0.91 120.51 119.64 1t99 n ALA 2092Ca 0.01 0.15 -0.07 0.00 0.00 0.00 0.00 53.44 53.53 1t99 n ALA 2092Cb 0.41 -1.21 0.07 0.00 0.00 0.00 0.00 19.45 18.73 1t99 n ALA 2092CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1t99 h GLU 2093N 0.00 1.04 0.00 0.00 4.39 -1.42 -3.36 114.58 115.23 1t99 h GLU 2093Ca 0.00 -0.28 -0.29 0.00 0.34 0.00 0.00 59.36 59.13 1t99 h GLU 2093Cb 0.05 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 28.53 1t99 h GLU 2093CO 0.00 0.97 -2.04 0.28 -1.16 0.00 0.00 179.01 177.06 1t99 n VAL 2094N -4.21 1.04 -1.97 3.13 0.31 -0.68 -5.00 118.33 110.95 1t99 n VAL 2094Ca 0.04 -0.34 -0.42 0.00 -0.01 0.00 0.00 64.34 63.61 1t99 n VAL 2094Cb 0.30 -1.40 -0.03 0.00 -0.91 0.00 0.00 33.84 31.80 1t99 n VAL 2094CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1t99 s ALA 2095N -2.36 3.66 -0.03 3.52 0.00 -0.08 -4.59 121.76 121.88 1t99 s ALA 2095Ca -0.25 1.14 0.12 0.00 0.00 0.00 0.00 51.96 52.96 1t99 s ALA 2095Cb 0.08 -3.69 -0.10 0.00 0.00 0.00 0.00 23.12 19.41 1t99 s ALA 2095CO 0.38 -1.12 1.24 -0.44 0.00 0.00 0.00 175.76 175.83 1t99 h ASP 2096N 8.42 0.00 -3.32 0.00 3.32 -1.14 -3.43 116.42 120.26 1t99 h ASP 2096Ca -0.42 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.18 1t99 h ASP 2096Cb 1.20 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.39 1t99 h ASP 2096CO 0.93 0.76 -0.78 -0.63 -1.72 0.00 0.00 179.24 177.79 1t99 s ILE 2097N -2.82 0.66 -0.18 0.35 1.01 -0.74 -2.15 121.20 117.33 1t99 s ILE 2097Ca 0.01 -0.12 -0.19 0.00 0.00 0.00 0.00 60.65 60.36 1t99 s ILE 2097Cb 0.09 -0.71 -0.03 0.00 0.01 0.00 0.00 42.46 41.81 1t99 s ILE 2097CO 0.79 0.28 0.53 -0.63 0.00 0.00 0.00 174.94 175.91 1t99 s ILE 2098N 1.42 5.11 -0.15 2.92 1.01 0.13 -3.47 121.20 128.17 1t99 s ILE 2098Ca -0.02 0.99 -0.14 0.00 0.00 0.00 0.00 60.65 61.48 1t99 s ILE 2098Cb -0.13 -3.85 -0.05 0.00 0.01 0.00 0.00 42.46 38.44 1t99 s ILE 2098CO -0.03 0.20 0.29 -1.58 0.00 0.00 0.00 174.94 173.82 1t99 s GLN 2099N 1.45 4.21 -0.28 2.79 0.74 -0.09 -1.06 119.66 127.41 1t99 s GLN 2099Ca 0.25 0.10 -0.08 0.00 0.05 0.00 0.00 55.36 55.68 1t99 s GLN 2099Cb -0.15 -3.41 -0.01 0.00 1.10 0.00 0.00 33.01 30.54 1t99 s GLN 2099CO 0.10 0.28 0.11 0.42 -0.55 0.00 0.00 175.29 175.65 1t99 s ILE 2100N 0.33 4.38 0.65 -2.34 -1.09 -0.48 -1.74 121.20 120.91 1t99 s ILE 2100Ca 0.17 -0.38 -0.17 0.00 -2.23 0.00 0.00 60.65 58.04 1t99 s ILE 2100Cb -0.13 -3.17 -0.03 0.00 -1.58 0.00 0.00 42.46 37.55 1t99 s ILE 2100CO 0.04 0.17 0.88 -2.65 -1.23 0.00 0.00 174.94 172.16 1t99 n PRO 2101N 4.94 0.68 -0.30 2.79 -0.02 -1.26 -1.67 135.00 140.16 1t99 n PRO 2101Ca -0.15 0.28 -0.01 0.00 -2.02 0.00 0.00 63.50 61.60 1t99 n PRO 2101Cb 0.50 -2.11 0.11 0.00 -0.02 0.00 0.00 33.50 31.98 1t99 n PRO 2101CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t99 h ALA 2102N 0.14 1.10 0.00 3.55 0.00 -1.89 -2.20 119.26 119.97 1t99 h ALA 2102Ca -0.48 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 1t99 h ALA 2102Cb 1.36 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1t99 h ALA 2102CO 0.48 0.33 -0.19 0.74 0.00 0.00 0.00 179.25 180.61 1t99 h PHE 2103N 1.00 0.00 -0.69 0.00 0.04 -1.91 -2.80 116.94 112.59 1t99 h PHE 2103Ca 0.34 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.11 1t99 h PHE 2103Cb 0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.21 1t99 h PHE 2103CO -0.03 0.19 0.00 1.28 -0.60 0.00 0.00 178.31 179.16 1t99 n LEU 2104N -4.23 3.91 0.09 1.54 4.77 -0.86 -4.50 117.00 117.73 1t99 n LEU 2104Ca -0.02 -1.96 0.07 0.00 -0.03 0.00 0.00 56.01 54.06 1t99 n LEU 2104Cb 0.26 -0.49 0.34 0.00 -2.33 0.00 0.00 43.42 41.20 1t99 n LEU 2104CO 0.36 0.91 0.70 0.00 -1.33 0.00 0.00 177.39 178.03 1t99 n GLY 2106N -1.21 0.07 3.55 0.00 0.00 -1.26 -4.91 105.19 101.43 1t99 n GLY 2106Ca -0.00 -0.44 -0.39 0.00 0.00 0.00 0.00 46.02 45.18 1t99 n GLY 2106CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1t99 s GLN 2107N -1.41 3.11 0.23 1.61 -1.52 -0.61 -4.90 119.66 116.17 1t99 s GLN 2107Ca 0.17 -0.26 -0.08 0.00 -1.95 0.00 0.00 55.36 53.24 1t99 s GLN 2107Cb 0.13 -4.54 0.39 0.00 -0.22 0.00 0.00 33.01 28.77 1t99 s GLN 2107CO 0.24 -2.38 1.65 1.15 -0.25 0.00 0.00 175.29 175.70 1t99 h THR 2108N 6.46 0.41 -0.12 -0.19 2.02 -1.91 -1.36 112.91 118.22 1t99 h THR 2108Ca -0.14 -0.04 -0.05 0.00 0.77 0.00 0.00 66.41 66.94 1t99 h THR 2108Cb 1.06 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 1t99 h THR 2108CO 1.29 0.02 -0.14 0.44 0.37 0.00 0.00 175.52 177.51 1t99 h ASP 2109N 0.13 0.18 -0.25 4.18 3.32 -1.98 0.44 116.42 122.44 1t99 h ASP 2109Ca 0.38 -0.04 -0.20 0.00 0.02 0.00 0.00 57.03 57.20 1t99 h ASP 2109Cb 0.66 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1t99 h ASP 2109CO -0.60 0.35 -0.61 0.25 -1.72 0.00 0.00 179.24 176.90 1t99 h LEU 2110N 0.18 0.97 -0.36 1.55 5.85 -1.64 -1.55 115.31 120.32 1t99 h LEU 2110Ca 0.04 -0.55 -0.09 0.00 0.84 0.00 0.00 57.88 58.12 1t99 h LEU 2110Cb 0.37 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1t99 h LEU 2110CO 0.02 1.35 -0.11 -0.07 -0.34 0.00 0.00 178.44 179.29 1t99 h LEU 2111N 0.64 0.73 -0.49 2.25 3.38 -0.95 -2.25 115.31 118.62 1t99 h LEU 2111Ca -0.00 -0.38 -0.08 0.00 0.09 0.00 0.00 57.88 57.51 1t99 h LEU 2111Cb 1.23 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 1t99 h LEU 2111CO 0.13 0.94 0.01 -0.07 0.09 0.00 0.00 178.44 179.54 1t99 h LEU 2112N 0.51 0.85 -1.47 1.67 3.38 -0.91 -0.85 115.31 118.48 1t99 h LEU 2112Ca 0.09 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 1t99 h LEU 2112Cb 0.63 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1t99 h LEU 2112CO 0.04 0.94 -0.12 0.00 0.09 0.00 0.00 178.44 179.40 1t99 h ALA 2113N 0.93 1.56 -0.11 1.53 0.00 -1.27 -0.53 119.26 121.38 1t99 h ALA 2113Ca 0.14 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1t99 h ALA 2113Cb 0.50 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1t99 h ALA 2113CO 0.02 0.32 -0.16 0.00 0.00 0.00 0.00 179.25 179.43 1t99 h ALA 2114N 1.69 0.17 -0.79 0.00 0.00 -0.97 -3.21 119.26 116.15 1t99 h ALA 2114Ca 0.04 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1t99 h ALA 2114Cb 0.33 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1t99 h ALA 2114CO 0.02 0.07 0.38 0.00 0.00 0.00 0.00 179.25 179.72 1t99 h ALA 2115N 0.55 1.01 -0.21 0.00 0.00 -0.87 -2.89 119.26 116.85 1t99 h ALA 2115Ca 0.01 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.83 1t99 h ALA 2115Cb 0.72 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1t99 h ALA 2115CO 0.04 0.58 0.19 -0.22 0.00 0.00 0.00 179.25 179.83 1t99 h LYS 2116N 1.11 0.00 0.00 0.00 3.64 -1.11 -0.84 116.57 119.37 1t99 h LYS 2116Ca 0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1t99 h LYS 2116Cb 0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1t99 h LYS 2116CO -0.03 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.40 1t99 n THR 2117N -4.05 0.81 0.00 1.00 -2.24 -1.09 -4.87 114.28 103.84 1t99 n THR 2117Ca 0.02 0.20 0.00 0.00 -2.27 0.00 0.00 64.05 62.00 1t99 n THR 2117Cb 0.32 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.64 1t99 n THR 2117CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1t99 n GLY 2118N 0.28 2.97 3.64 3.38 0.00 -0.32 -5.01 105.19 110.13 1t99 n GLY 2118Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1t99 n GLY 2118CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1t99 s ARG 2119N 0.00 -0.50 0.47 1.61 1.81 -1.26 -4.89 118.95 116.18 1t99 s ARG 2119Ca 0.00 0.13 -0.20 0.00 -1.72 0.00 0.00 55.73 53.94 1t99 s ARG 2119Cb 0.00 -1.66 -0.09 0.00 -0.45 0.00 0.00 34.95 32.74 1t99 s ARG 2119CO 0.00 -3.27 0.99 0.00 -0.68 0.00 0.00 175.30 172.34 1t99 s ALA 2120N -3.04 2.97 -0.08 2.13 0.00 -0.91 -4.75 121.76 118.08 1t99 s ALA 2120Ca 0.69 0.45 0.03 0.00 0.00 0.00 0.00 51.96 53.12 1t99 s ALA 2120Cb -0.13 -3.19 0.01 0.00 0.00 0.00 0.00 23.12 19.81 1t99 s ALA 2120CO 0.56 -0.11 -0.16 0.08 0.00 0.00 0.00 175.76 176.13 1t99 s VAL 2121N -2.17 1.42 -0.26 0.00 1.01 -0.09 0.20 120.40 120.52 1t99 s VAL 2121Ca 0.64 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 62.00 1t99 s VAL 2121Cb -0.12 -1.27 0.06 0.00 0.00 0.00 0.00 36.38 35.04 1t99 s VAL 2121CO 0.19 0.42 -0.11 0.21 0.00 0.00 0.00 175.10 175.80 1t99 s ASN 2122N 0.60 4.37 -0.22 3.32 3.04 -0.22 -0.22 114.94 125.62 1t99 s ASN 2122Ca -0.15 -1.34 -0.13 0.00 0.04 0.00 0.00 52.86 51.28 1t99 s ASN 2122Cb -0.16 -1.55 -0.04 0.00 -1.54 0.00 0.00 41.25 37.95 1t99 s ASN 2122CO 0.05 -0.18 0.28 -0.69 -3.04 0.00 0.00 177.10 173.52 1t99 s VAL 2123N 1.12 5.28 -0.08 -5.21 1.01 0.64 -1.38 120.40 121.78 1t99 s VAL 2123Ca -0.08 0.45 -0.30 0.00 0.00 0.00 0.00 61.98 62.06 1t99 s VAL 2123Cb -0.19 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 1t99 s VAL 2123CO -0.05 0.30 1.06 -0.54 0.00 0.00 0.00 175.10 175.87 1t99 s LYS 2124N 1.16 4.41 0.05 2.72 -0.14 -0.67 -0.70 119.74 126.56 1t99 s LYS 2124Ca 0.13 1.48 -0.30 0.00 -1.36 0.00 0.00 55.97 55.92 1t99 s LYS 2124Cb -0.14 -3.53 -0.08 0.00 -1.68 0.00 0.00 37.83 32.40 1t99 s LYS 2124CO 0.06 -0.33 1.65 0.21 -0.76 0.00 0.00 175.35 176.18 1t99 s LYS 2125N 1.96 4.20 0.68 1.68 2.20 -0.20 -3.99 119.74 126.26 1t99 s LYS 2125Ca 0.51 2.30 -0.17 0.00 -0.36 0.00 0.00 55.97 58.25 1t99 s LYS 2125Cb -0.21 -3.68 -0.01 0.00 -1.51 0.00 0.00 37.83 32.43 1t99 s LYS 2125CO 0.20 -0.75 1.05 0.41 -0.36 0.00 0.00 175.35 175.90 1t99 n GLY 2126N 4.02 -0.15 0.21 5.54 0.00 -1.24 -4.58 105.19 108.99 1t99 n GLY 2126Ca 0.16 -0.25 0.15 0.00 0.00 0.00 0.00 46.02 46.08 1t99 n GLY 2126CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1t99 h GLN 2127N 0.10 0.00 -0.00 1.61 7.50 -1.83 -2.31 115.11 120.18 1t99 h GLN 2127Ca -0.49 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.66 1t99 h GLN 2127Cb 1.34 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.87 1t99 h GLN 2127CO 0.49 0.00 -0.93 1.97 -1.50 0.00 0.00 178.83 178.86 1t99 n PHE 2128N -2.60 0.00 -3.32 2.96 1.16 -1.26 -1.20 117.46 113.20 1t99 n PHE 2128Ca -0.00 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.20 1t99 n PHE 2128Cb 0.17 -0.03 -0.06 0.00 -1.61 0.00 0.00 39.48 37.95 1t99 n PHE 2128CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 1t99 s LEU 2129N -2.99 4.33 0.41 5.98 2.96 -0.87 -5.06 118.68 123.44 1t99 s LEU 2129Ca 0.09 0.89 -0.23 0.00 -0.22 0.00 0.00 54.13 54.66 1t99 s LEU 2129Cb 0.16 -2.72 -0.09 0.00 0.50 0.00 0.00 46.19 44.04 1t99 s LEU 2129CO 0.84 0.06 1.03 0.00 -1.32 0.00 0.00 176.35 176.97 1t99 s ALA 2130N 0.25 3.06 0.21 5.97 0.00 -1.26 -4.85 121.76 125.14 1t99 s ALA 2130Ca 0.27 0.64 -0.10 0.00 0.00 0.00 0.00 51.96 52.76 1t99 s ALA 2130Cb -0.16 -3.25 0.28 0.00 0.00 0.00 0.00 23.12 19.99 1t99 s ALA 2130CO 0.12 -0.16 1.70 -1.35 0.00 0.00 0.00 175.76 176.07 1t99 h PRO 2131N 2.35 0.24 0.00 0.00 0.11 -1.97 -1.46 132.00 131.27 1t99 h PRO 2131Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1t99 h PRO 2131Cb 1.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1t99 h PRO 2131CO 0.62 0.16 0.00 0.11 -0.21 0.00 0.00 178.00 178.68 1t99 h TRP 2132N 0.25 0.00 -0.11 0.65 0.09 -1.92 -2.45 115.95 112.46 1t99 h TRP 2132Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.29 1t99 h TRP 2132Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.69 1t99 h TRP 2132CO -0.25 0.00 0.00 -0.25 0.09 0.00 0.00 178.44 178.03 1t99 n ASP 2133N -2.86 0.92 0.04 0.11 8.00 -0.55 -3.11 116.55 119.10 1t99 n ASP 2133Ca -0.00 -1.66 0.13 0.00 0.71 0.00 0.00 54.79 53.97 1t99 n ASP 2133Cb 0.22 -0.07 0.41 0.00 -0.02 0.00 0.00 41.12 41.66 1t99 n ASP 2133CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1t99 n THR 2134N -0.14 0.22 -0.19 -3.53 -2.24 -0.92 -3.70 114.28 103.78 1t99 n THR 2134Ca 0.13 -0.12 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 1t99 n THR 2134Cb 0.20 -0.30 0.08 0.00 -2.10 0.00 0.00 70.33 68.20 1t99 n THR 2134CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1t99 h LYS 2135N 0.00 0.48 0.00 -0.78 3.64 -1.76 -1.84 116.57 116.32 1t99 h LYS 2135Ca 0.00 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.27 1t99 h LYS 2135Cb 0.61 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1t99 h LYS 2135CO 0.00 0.32 -0.38 -0.91 -2.27 0.00 0.00 179.45 176.21 1t99 h ASN 2136N 0.50 0.00 -0.15 4.20 -0.26 -1.84 -2.02 115.58 116.00 1t99 h ASN 2136Ca 0.26 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.99 1t99 h ASN 2136Cb 0.22 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.48 1t99 h ASN 2136CO -0.21 0.38 0.05 0.58 -1.06 0.00 0.00 177.43 177.17 1t99 h VAL 2137N 0.00 1.18 -0.94 2.81 2.07 -1.52 -1.85 116.25 117.99 1t99 h VAL 2137Ca -0.00 -0.54 0.02 0.00 0.82 0.00 0.00 66.70 67.00 1t99 h VAL 2137Cb 0.69 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 1t99 h VAL 2137CO 0.05 0.17 0.62 0.58 0.02 0.00 0.00 177.57 179.00 1t99 h VAL 2138N 0.07 1.20 -0.76 2.57 2.07 -1.13 -2.60 116.25 117.66 1t99 h VAL 2138Ca 0.05 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 1t99 h VAL 2138Cb 0.21 -0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 29.81 1t99 h VAL 2138CO -0.00 0.22 0.27 -0.08 0.02 0.00 0.00 177.57 178.00 1t99 h GLU 2139N 1.23 1.16 -0.77 1.57 4.81 -1.06 -1.11 114.58 120.42 1t99 h GLU 2139Ca 0.36 -0.23 0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1t99 h GLU 2139Cb -0.06 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.10 1t99 h GLU 2139CO -0.10 0.97 0.51 0.87 -0.73 0.00 0.00 179.01 180.52 1t99 h LYS 2140N 1.13 1.00 -0.45 1.92 1.57 -0.97 0.13 116.57 120.89 1t99 h LYS 2140Ca 0.25 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.86 1t99 h LYS 2140Cb 0.27 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1t99 h LYS 2140CO -0.01 0.66 -0.15 -0.07 -0.57 0.00 0.00 179.45 179.30 1t99 h LEU 2141N 1.03 0.85 -0.43 2.94 3.38 -1.19 -0.39 115.31 121.50 1t99 h LEU 2141Ca 0.29 -0.28 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1t99 h LEU 2141Cb -0.10 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 1t99 h LEU 2141CO -0.07 1.00 0.01 0.11 0.09 0.00 0.00 178.44 179.58 1t99 h LYS 2142N 0.75 0.75 -0.88 1.13 1.57 -0.65 0.21 116.57 119.45 1t99 h LYS 2142Ca 0.12 -0.24 0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1t99 h LYS 2142Cb 0.67 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.85 1t99 h LYS 2142CO 0.05 0.82 0.55 0.35 -0.57 0.00 0.00 179.45 180.65 1t99 h PHE 2143N 0.59 1.02 0.00 -1.35 3.57 -0.56 -0.56 116.94 119.65 1t99 h PHE 2143Ca 0.12 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1t99 h PHE 2143Cb 0.48 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.89 1t99 h PHE 2143CO 0.04 0.53 0.00 0.41 -2.23 0.00 0.00 178.31 177.06 1t99 n GLY 2144N -1.33 -0.81 0.54 2.40 0.00 -0.17 -4.87 105.19 100.94 1t99 n GLY 2144Ca 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1t99 n GLY 2144CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t99 n GLY 2145N 0.55 0.73 3.77 -0.02 0.00 -0.22 -3.64 105.19 106.36 1t99 n GLY 2145Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1t99 n GLY 2145CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t99 s ALA 2146N -2.24 3.21 0.00 4.61 0.00 0.67 -4.91 121.76 123.10 1t99 s ALA 2146Ca 0.00 0.95 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1t99 s ALA 2146Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1t99 s ALA 2146CO 0.00 -0.45 0.00 1.63 0.00 0.00 0.00 175.76 176.94 1t99 n LYS 2147N 0.28 1.51 -3.54 0.00 4.76 -1.26 -4.39 118.16 115.51 1t99 n LYS 2147Ca 0.03 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.06 1t99 n LYS 2147Cb 0.46 -0.94 -0.09 0.00 -1.84 0.00 0.00 35.03 32.62 1t99 n LYS 2147CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1t99 s GLU 2148N -1.87 2.72 -0.09 1.97 2.12 -1.26 -5.06 118.70 117.22 1t99 s GLU 2148Ca 0.00 -1.41 0.03 0.00 0.36 0.00 0.00 54.97 53.96 1t99 s GLU 2148Cb 0.00 -3.88 0.00 0.00 0.26 0.00 0.00 34.13 30.52 1t99 s GLU 2148CO 0.00 -0.96 -0.21 0.42 -0.54 0.00 0.00 175.26 173.97 1t99 s ILE 2149N 1.49 1.81 0.06 -3.70 1.01 -1.26 -0.91 121.20 119.70 1t99 s ILE 2149Ca 0.03 -0.87 0.09 0.00 0.00 0.00 0.00 60.65 59.91 1t99 s ILE 2149Cb -0.23 -1.58 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 1t99 s ILE 2149CO 0.04 0.50 -0.26 -0.31 0.00 0.00 0.00 174.94 174.91 1t99 s TYR 2150N 0.49 2.26 -0.11 3.97 1.51 0.70 -2.93 117.35 123.24 1t99 s TYR 2150Ca -0.16 -0.40 0.03 0.00 -1.01 0.00 0.00 57.07 55.52 1t99 s TYR 2150Cb -0.17 -1.33 -0.00 0.00 -0.11 0.00 0.00 41.96 40.35 1t99 s TYR 2150CO 0.06 0.16 -0.22 -0.51 -1.11 0.00 0.00 175.55 173.94 1t99 s LEU 2151N -1.39 2.20 -0.16 -1.29 1.43 -0.48 -0.26 118.68 118.74 1t99 s LEU 2151Ca 0.12 -0.52 -0.02 0.00 -1.03 0.00 0.00 54.13 52.68 1t99 s LEU 2151Cb -0.10 -1.45 -0.01 0.00 0.03 0.00 0.00 46.19 44.66 1t99 s LEU 2151CO 0.03 0.15 -0.09 -0.89 0.23 0.00 0.00 176.35 175.78 1t99 s THR 2152N 0.38 3.27 -0.14 5.49 2.01 0.12 -0.86 115.64 125.90 1t99 s THR 2152Ca -0.17 -0.57 -0.29 0.00 0.31 0.00 0.00 61.69 60.98 1t99 s THR 2152Cb -0.17 -2.41 -0.01 0.00 0.01 0.00 0.00 72.50 69.91 1t99 s THR 2152CO 0.08 0.49 0.98 -0.70 -0.69 0.00 0.00 174.62 174.78 1t99 s GLU 2153N 0.64 4.37 -0.03 4.92 2.56 0.19 -1.04 118.70 130.31 1t99 s GLU 2153Ca -0.05 1.32 0.06 0.00 0.00 0.00 0.00 54.97 56.30 1t99 s GLU 2153Cb -0.15 -3.57 0.10 0.00 2.00 0.00 0.00 34.13 32.52 1t99 s GLU 2153CO 0.03 -0.37 1.05 2.89 -0.56 0.00 0.00 175.26 178.29 1t99 n ARG 2154N 5.28 0.30 0.00 4.30 -4.01 -1.26 -0.75 116.66 120.52 1t99 n ARG 2154Ca 0.09 -1.46 0.00 0.00 -1.04 0.00 0.00 57.85 55.44 1t99 n ARG 2154Cb 0.48 -0.69 0.00 0.00 -3.04 0.00 0.00 32.46 29.21 1t99 n ARG 2154CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1t99 n GLY 2155N -0.28 2.04 3.05 2.89 0.00 -1.26 -3.83 105.19 107.79 1t99 n GLY 2155Ca 0.04 -1.93 -0.20 0.00 0.00 0.00 0.00 46.02 43.93 1t99 n GLY 2155CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t99 s THR 2156N -2.73 0.85 -0.06 2.61 2.01 0.81 -4.32 115.64 114.81 1t99 s THR 2156Ca 0.00 -0.45 -0.37 0.00 0.31 0.00 0.00 61.69 61.19 1t99 s THR 2156Cb 0.00 -0.71 -0.15 0.00 0.01 0.00 0.00 72.50 71.65 1t99 s THR 2156CO 0.00 0.24 1.65 0.41 -0.69 0.00 0.00 174.62 176.23 1t99 n THR 2157N 2.89 0.24 -3.59 -0.82 -1.04 -0.34 -1.55 114.28 110.07 1t99 n THR 2157Ca -0.14 -0.04 -0.29 0.00 -2.04 0.00 0.00 64.05 61.54 1t99 n THR 2157Cb 0.56 -1.34 -0.12 0.00 -1.82 0.00 0.00 70.33 67.61 1t99 n THR 2157CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1t99 s PHE 2158N 2.41 1.59 0.00 -1.42 5.36 -0.67 -4.86 117.98 120.39 1t99 s PHE 2158Ca 0.90 -2.27 0.00 0.00 -0.96 0.00 0.00 56.93 54.60 1t99 s PHE 2158Cb -0.87 -1.48 0.00 0.00 -0.34 0.00 0.00 43.02 40.33 1t99 s PHE 2158CO 0.52 -0.78 0.00 0.41 -1.46 0.00 0.00 175.22 173.91 1t99 n GLY 2159N 3.37 -0.64 3.83 13.12 0.00 -1.26 -4.32 105.19 119.29 1t99 n GLY 2159Ca 0.15 -1.13 -0.38 0.00 0.00 0.00 0.00 46.02 44.67 1t99 n GLY 2159CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t99 s TYR 2160N 0.00 3.68 -1.44 1.61 2.02 -1.26 -4.42 117.35 117.54 1t99 s TYR 2160Ca 0.00 0.89 -0.10 0.00 -0.37 0.00 0.00 57.07 57.49 1t99 s TYR 2160Cb 0.00 -2.26 0.05 0.00 -0.40 0.00 0.00 41.96 39.35 1t99 s TYR 2160CO 0.00 0.60 1.04 0.09 -1.57 0.00 0.00 175.55 175.71 1t99 n ASN 2161N 2.08 -4.99 -3.65 2.29 3.02 -1.26 -4.97 115.26 107.78 1t99 n ASN 2161Ca -0.14 -0.69 -0.15 0.00 -0.03 0.00 0.00 54.58 53.57 1t99 n ASN 2161Cb 0.53 -4.38 -0.08 0.00 -0.61 0.00 0.00 39.78 35.24 1t99 n ASN 2161CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1t99 s ASN 2162N -3.44 -0.59 -0.01 6.41 3.04 -1.26 -4.09 114.94 114.99 1t99 s ASN 2162Ca 0.56 0.99 0.05 0.00 0.04 0.00 0.00 52.86 54.50 1t99 s ASN 2162Cb -0.27 0.99 -0.01 0.00 -1.54 0.00 0.00 41.25 40.42 1t99 s ASN 2162CO 0.79 -0.32 -0.17 -0.76 -3.04 0.00 0.00 177.10 173.60 1t99 s LEU 2163N -0.17 2.04 0.13 3.21 1.43 -1.26 -1.66 118.68 122.40 1t99 s LEU 2163Ca -0.04 -0.33 0.11 0.00 -1.03 0.00 0.00 54.13 52.84 1t99 s LEU 2163Cb -0.03 -0.89 -0.04 0.00 0.03 0.00 0.00 46.19 45.25 1t99 s LEU 2163CO 0.03 0.21 -0.26 0.54 0.23 0.00 0.00 176.35 177.10 1t99 s VAL 2164N -0.43 2.20 -0.32 -1.59 0.11 -0.60 -4.84 120.40 114.94 1t99 s VAL 2164Ca 0.07 -1.75 -0.09 0.00 -2.93 0.00 0.00 61.98 57.27 1t99 s VAL 2164Cb -0.07 -1.96 0.01 0.00 -1.53 0.00 0.00 36.38 32.83 1t99 s VAL 2164CO -0.01 0.06 0.14 -0.69 -3.33 0.00 0.00 175.10 171.28 1t99 s VAL 2165N -1.11 4.41 -0.63 2.04 1.01 -1.26 -0.13 120.40 124.73 1t99 s VAL 2165Ca 0.14 -0.60 -0.19 0.00 0.00 0.00 0.00 61.98 61.32 1t99 s VAL 2165Cb -0.10 -3.31 0.10 0.00 0.00 0.00 0.00 36.38 33.08 1t99 s VAL 2165CO 0.06 0.00 0.78 -0.62 0.00 0.00 0.00 175.10 175.32 1t99 s ASP 2166N 1.57 6.22 0.00 3.32 -1.08 -1.26 -4.90 116.67 120.53 1t99 s ASP 2166Ca 0.03 -1.42 0.08 0.00 -0.52 0.00 0.00 52.55 50.72 1t99 s ASP 2166Cb -0.18 -2.33 0.36 0.00 -1.46 0.00 0.00 42.92 39.31 1t99 s ASP 2166CO 0.05 -1.16 1.22 0.49 0.52 0.00 0.00 175.17 176.28 1t99 n PHE 2167N 6.56 0.00 0.26 -5.34 3.01 -1.26 -1.58 117.46 119.11 1t99 n PHE 2167Ca -0.06 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.51 1t99 n PHE 2167Cb 0.43 -0.44 0.72 0.00 -0.01 0.00 0.00 39.48 40.19 1t99 n PHE 2167CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1t99 h ARG 2168N 0.00 0.00 -0.16 -1.08 3.08 -2.03 -2.69 114.38 111.49 1t99 h ARG 2168Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1t99 h ARG 2168Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1t99 h ARG 2168CO 0.00 0.09 -0.02 0.66 -1.07 0.00 0.00 179.97 179.63 1t99 h SER 2169N 0.00 0.21 -0.06 7.04 4.64 -1.72 -2.97 113.55 120.69 1t99 h SER 2169Ca -0.00 -0.03 0.03 0.00 -0.47 0.00 0.00 61.79 61.32 1t99 h SER 2169Cb 0.21 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.22 1t99 h SER 2169CO 0.01 0.27 -0.10 -0.07 -0.87 0.00 0.00 176.83 176.07 1t99 h LEU 2170N 0.23 -0.32 -0.90 5.97 4.07 -1.70 0.22 115.31 122.88 1t99 h LEU 2170Ca 0.05 0.06 -0.06 0.00 0.08 0.00 0.00 57.88 58.01 1t99 h LEU 2170Cb 0.19 0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.07 1t99 h LEU 2170CO 0.01 -0.15 -0.28 1.55 -1.08 0.00 0.00 178.44 178.49 1t99 h PRO 2171N -0.15 0.00 -0.00 1.13 0.13 -1.72 -2.73 132.00 128.66 1t99 h PRO 2171Ca 0.06 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1t99 h PRO 2171Cb 0.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.36 1t99 h PRO 2171CO -0.15 0.28 -0.00 0.82 -0.23 0.00 0.00 178.00 178.71 1t99 h ILE 2172N 0.00 1.45 -0.02 -3.56 2.04 -1.28 -3.29 117.51 112.85 1t99 h ILE 2172Ca -0.00 -1.34 -0.07 0.00 1.00 0.00 0.00 64.86 64.45 1t99 h ILE 2172Cb 0.86 2.36 -0.01 0.00 -0.74 0.00 0.00 36.82 39.29 1t99 h ILE 2172CO 0.04 0.35 -0.32 0.24 0.00 0.00 0.00 178.15 178.46 1t99 h MET 2173N -0.56 0.03 0.00 2.37 2.86 -0.99 -2.83 114.93 115.81 1t99 h MET 2173Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1t99 h MET 2173Cb 0.58 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.23 1t99 h MET 2173CO 0.00 0.35 0.01 -0.22 1.06 0.00 0.00 176.91 178.11 1t99 h LYS 2174N 0.03 0.00 0.00 1.72 1.63 -1.55 -1.72 116.57 116.68 1t99 h LYS 2174Ca 0.00 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 1t99 h LYS 2174Cb 0.58 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.20 1t99 h LYS 2174CO 0.04 0.00 -0.14 1.96 -3.45 0.00 0.00 179.45 177.86 1t99 h GLN 2175N 0.00 0.00 0.00 1.90 4.20 -1.62 -3.32 115.11 116.28 1t99 h GLN 2175Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1t99 h GLN 2175Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1t99 h GLN 2175CO 0.00 0.14 0.00 -2.67 -0.67 0.00 0.00 178.83 175.63 1t99 n TRP 2176N -3.45 0.00 -3.64 2.96 2.14 -0.67 -5.11 117.44 109.67 1t99 n TRP 2176Ca -0.01 -0.15 -0.04 0.00 2.07 0.00 0.00 57.50 59.37 1t99 n TRP 2176Cb 0.32 -0.01 -0.01 0.00 -0.81 0.00 0.00 31.31 30.79 1t99 n TRP 2176CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1t99 s ALA 2177N -0.29 -1.84 0.30 -1.67 0.00 -1.04 -4.99 121.76 112.22 1t99 s ALA 2177Ca 0.00 0.61 -0.28 0.00 0.00 0.00 0.00 51.96 52.29 1t99 s ALA 2177Cb 0.00 0.46 -0.09 0.00 0.00 0.00 0.00 23.12 23.49 1t99 s ALA 2177CO 0.00 -0.90 1.00 0.15 0.00 0.00 0.00 175.76 176.01 1t99 s LYS 2178N -3.02 4.63 -0.14 0.00 1.02 -1.15 -4.04 119.74 117.05 1t99 s LYS 2178Ca 0.10 1.53 -0.02 0.00 0.02 0.00 0.00 55.97 57.60 1t99 s LYS 2178Cb -0.00 -3.02 -0.02 0.00 -0.52 0.00 0.00 37.83 34.26 1t99 s LYS 2178CO -0.03 0.28 -0.07 0.08 -0.92 0.00 0.00 175.35 174.70 1t99 s VAL 2179N -1.36 3.63 0.00 3.17 1.01 -1.26 -1.38 120.40 124.21 1t99 s VAL 2179Ca 0.47 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 62.04 1t99 s VAL 2179Cb -0.25 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 1t99 s VAL 2179CO 0.31 0.52 -0.15 -0.63 0.00 0.00 0.00 175.10 175.15 1t99 s ILE 2180N 0.20 3.01 -0.22 2.22 -1.09 -0.04 -0.15 121.20 125.12 1t99 s ILE 2180Ca -0.04 -0.95 -0.06 0.00 -2.23 0.00 0.00 60.65 57.37 1t99 s ILE 2180Cb -0.14 -2.23 -0.03 0.00 -1.58 0.00 0.00 42.46 38.48 1t99 s ILE 2180CO 0.04 0.45 0.04 -0.47 -1.23 0.00 0.00 174.94 173.76 1t99 s TYR 2181N -0.86 3.07 -0.59 3.97 5.04 -0.50 -0.64 117.35 126.85 1t99 s TYR 2181Ca 0.14 -0.43 -0.23 0.00 -2.44 0.00 0.00 57.07 54.10 1t99 s TYR 2181Cb -0.11 -2.16 0.05 0.00 0.35 0.00 0.00 41.96 40.10 1t99 s TYR 2181CO 0.04 -0.29 0.91 0.34 -1.34 0.00 0.00 175.55 175.21 1t99 s ASP 2182N 1.28 6.26 0.47 4.32 -1.08 0.07 -0.22 116.67 127.77 1t99 s ASP 2182Ca 0.04 -0.67 0.26 0.00 -0.52 0.00 0.00 52.55 51.67 1t99 s ASP 2182Cb -0.15 -2.41 0.73 0.00 -1.46 0.00 0.00 42.92 39.63 1t99 s ASP 2182CO 0.02 -1.27 1.75 0.00 0.52 0.00 0.00 175.17 176.19 1t99 h ALA 2183N 9.37 0.98 0.01 3.66 0.00 -1.25 -3.25 119.26 128.77 1t99 h ALA 2183Ca -0.27 -0.05 -0.38 0.00 0.00 0.00 0.00 54.91 54.20 1t99 h ALA 2183Cb 1.07 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 1t99 h ALA 2183CO 1.11 0.07 -2.41 0.25 0.00 0.00 0.00 179.25 178.28 1t99 n THR 2184N -3.13 1.47 0.83 0.00 -2.24 -1.26 -4.45 114.28 105.51 1t99 n THR 2184Ca 0.02 -0.68 0.13 0.00 -2.27 0.00 0.00 64.05 61.25 1t99 n THR 2184Cb 0.46 -1.08 0.36 0.00 -2.10 0.00 0.00 70.33 67.97 1t99 n THR 2184CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1t99 n HIS 2185N -3.08 0.29 0.39 4.78 8.25 -1.26 -3.85 115.22 120.74 1t99 n HIS 2185Ca -0.40 0.08 0.14 0.00 -0.26 0.00 0.00 57.72 57.28 1t99 n HIS 2185Cb 1.05 -0.53 0.48 0.00 1.12 0.00 0.00 29.99 32.12 1t99 n HIS 2185CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1t99 h SER 2186N 0.00 0.00 -0.00 0.41 0.02 -1.66 -3.21 113.55 109.10 1t99 h SER 2186Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1t99 h SER 2186Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1t99 h SER 2186CO 0.00 0.00 -0.18 1.33 -1.14 0.00 0.00 176.83 176.84 1t99 n VAL 2187N -2.59 0.00 -2.58 2.27 0.24 -1.25 -4.67 118.33 109.75 1t99 n VAL 2187Ca 0.03 -0.41 -0.39 0.00 -2.04 0.00 0.00 64.34 61.52 1t99 n VAL 2187Cb 0.33 1.06 -0.05 0.00 -1.47 0.00 0.00 33.84 33.72 1t99 n VAL 2187CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1t99 s GLN 2188N -1.19 4.59 -0.21 7.34 -2.07 -1.22 -4.14 119.66 122.77 1t99 s GLN 2188Ca 0.05 1.62 -0.22 0.00 -1.82 0.00 0.00 55.36 55.00 1t99 s GLN 2188Cb 0.05 -3.05 -0.02 0.00 -1.09 0.00 0.00 33.01 28.91 1t99 s GLN 2188CO 0.19 0.22 0.68 -0.51 -1.32 0.00 0.00 175.29 174.56 1t99 s LEU 2189N -1.68 4.13 0.79 2.60 1.43 -1.26 -4.43 118.68 120.26 1t99 s LEU 2189Ca 0.47 0.88 -0.11 0.00 -1.03 0.00 0.00 54.13 54.34 1t99 s LEU 2189Cb -0.27 -2.97 0.07 0.00 0.03 0.00 0.00 46.19 43.05 1t99 s LEU 2189CO 0.35 -0.33 1.09 -2.84 0.23 0.00 0.00 176.35 174.84 1t99 s PRO 2190N 2.15 2.10 0.00 1.29 0.02 -1.26 -4.93 135.00 134.38 1t99 s PRO 2190Ca 0.30 1.00 0.00 0.00 0.02 0.00 0.00 61.00 62.32 1t99 s PRO 2190Cb -0.16 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.47 1t99 s PRO 2190CO 0.10 -1.70 0.00 0.41 -0.33 0.00 0.00 177.00 175.48 1t99 n GLY 2191N -1.40 2.58 0.06 0.52 0.00 -1.26 -4.31 105.19 101.38 1t99 n GLY 2191Ca 0.08 -0.42 0.03 0.00 0.00 0.00 0.00 46.02 45.71 1t99 n GLY 2191CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t99 n GLY 2199N 0.00 -0.54 6.33 -0.02 0.00 -1.26 -4.97 105.19 104.74 1t99 n GLY 2199Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1t99 n GLY 2199CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1t99 n MET 2200N -1.69 0.00 -0.23 1.61 0.00 -1.26 -3.75 117.12 111.80 1t99 n MET 2200Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 57.70 57.73 1t99 n MET 2200Cb 0.12 0.00 0.15 0.00 0.00 0.00 0.00 33.22 33.48 1t99 n MET 2200CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 1t99 h ARG 2201N 0.00 0.22 0.00 0.03 2.43 -1.90 -1.48 114.38 113.68 1t99 h ARG 2201Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1t99 h ARG 2201Cb 0.00 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1t99 h ARG 2201CO 0.00 0.15 0.16 1.05 -1.51 0.00 0.00 179.97 179.82 1t99 h GLU 2202N 0.23 0.00 -0.01 0.20 4.11 -1.95 -2.10 114.58 115.05 1t99 h GLU 2202Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.81 1t99 h GLU 2202Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1t99 h GLU 2202CO -0.50 0.00 -0.68 1.19 0.07 0.00 0.00 179.01 179.09 1t99 n PHE 2203N -2.57 0.00 0.07 2.06 3.72 -0.56 -4.59 117.46 115.59 1t99 n PHE 2203Ca -0.02 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.26 1t99 n PHE 2203Cb 0.20 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.68 1t99 n PHE 2203CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1t99 h ILE 2204N 1.37 0.77 -0.17 4.37 2.04 -1.43 -2.44 117.51 122.02 1t99 h ILE 2204Ca 0.00 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 1t99 h ILE 2204Cb 0.63 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1t99 h ILE 2204CO 0.00 0.00 -0.14 0.15 0.00 0.00 0.00 178.15 178.16 1t99 h PHE 2205N -0.19 0.46 -0.46 1.37 -0.00 -1.82 -1.67 116.94 114.63 1t99 h PHE 2205Ca 0.02 -0.13 0.07 0.00 -0.00 0.00 0.00 57.97 57.94 1t99 h PHE 2205Cb 0.21 -0.10 -0.06 0.00 -0.00 0.00 0.00 35.95 35.99 1t99 h PHE 2205CO -0.14 0.75 0.10 -1.35 -0.00 0.00 0.00 178.31 177.67 1t99 h PRO 2206N 0.05 0.23 0.00 6.41 0.11 -1.80 -0.32 132.00 136.68 1t99 h PRO 2206Ca 0.03 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.05 1t99 h PRO 2206Cb 0.65 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 1t99 h PRO 2206CO 0.04 0.15 -0.37 -0.07 -0.21 0.00 0.00 178.00 177.53 1t99 h LEU 2207N 0.24 0.00 -0.47 2.35 3.38 -1.43 -2.33 115.31 117.05 1t99 h LEU 2207Ca 0.23 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.11 1t99 h LEU 2207Cb 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1t99 h LEU 2207CO -0.29 0.37 -0.03 0.40 0.09 0.00 0.00 178.44 178.98 1t99 h ILE 2208N 0.00 1.27 -0.59 1.22 2.04 -0.50 -1.33 117.51 119.61 1t99 h ILE 2208Ca -0.00 -1.12 -0.03 0.00 1.00 0.00 0.00 64.86 64.71 1t99 h ILE 2208Cb 0.85 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 1t99 h ILE 2208CO 0.05 0.39 0.25 0.03 0.00 0.00 0.00 178.15 178.86 1t99 h ARG 2209N 0.70 0.86 -0.46 2.37 3.08 -0.59 -2.48 114.38 117.86 1t99 h ARG 2209Ca 0.13 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 1t99 h ARG 2209Cb 0.56 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 1t99 h ARG 2209CO 0.03 0.70 -0.06 0.00 -1.07 0.00 0.00 179.97 179.56 1t99 h ALA 2210N 1.42 0.63 -0.58 0.04 0.00 -1.12 -1.19 119.26 118.45 1t99 h ALA 2210Ca 0.20 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1t99 h ALA 2210Cb 0.15 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1t99 h ALA 2210CO -0.02 0.48 0.36 0.00 0.00 0.00 0.00 179.25 180.07 1t99 h ALA 2211N 0.89 0.75 -0.01 0.00 0.00 -0.82 0.78 119.26 120.85 1t99 h ALA 2211Ca 0.12 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 1t99 h ALA 2211Cb 0.59 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1t99 h ALA 2211CO 0.04 0.09 -0.77 -0.39 0.00 0.00 0.00 179.25 178.22 1t99 h VAL 2212N 0.71 1.50 -0.42 0.00 -1.51 -1.38 0.10 116.25 115.24 1t99 h VAL 2212Ca 0.23 -2.49 -0.10 0.00 -1.23 0.00 0.00 66.70 63.11 1t99 h VAL 2212Cb 0.02 2.35 -0.02 0.00 -2.13 0.00 0.00 31.29 31.51 1t99 h VAL 2212CO -0.10 0.72 -0.15 0.00 -1.23 0.00 0.00 177.57 176.81 1t99 h ALA 2213N 1.14 0.95 -0.06 5.19 0.00 -0.66 -3.08 119.26 122.74 1t99 h ALA 2213Ca -0.02 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 1t99 h ALA 2213Cb 1.35 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1t99 h ALA 2213CO 0.11 0.61 -0.30 0.28 0.00 0.00 0.00 179.25 179.96 1t99 h VAL 2214N 0.70 1.43 0.00 0.00 2.07 -0.74 -3.47 116.25 116.24 1t99 h VAL 2214Ca 0.11 -1.72 0.00 0.00 0.82 0.00 0.00 66.70 65.91 1t99 h VAL 2214Cb 0.64 2.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.77 1t99 h VAL 2214CO 0.04 0.49 0.00 0.61 0.02 0.00 0.00 177.57 178.74 1t99 n GLY 2215N 0.70 2.98 3.32 2.17 0.00 0.35 -4.84 105.19 109.87 1t99 n GLY 2215Ca -0.08 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 1t99 n GLY 2215CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t99 n ASP 2217N -0.19 1.23 0.00 0.00 8.00 0.79 -4.98 116.55 121.39 1t99 n ASP 2217Ca -0.09 -1.10 0.00 0.00 0.71 0.00 0.00 54.79 54.30 1t99 n ASP 2217Cb 0.63 0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.83 1t99 n ASP 2217CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1t99 n GLY 2218N 1.30 0.57 3.17 0.44 0.00 -1.13 -1.87 105.19 107.66 1t99 n GLY 2218Ca 0.14 -0.81 -0.22 0.00 0.00 0.00 0.00 46.02 45.12 1t99 n GLY 2218CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1t99 s VAL 2219N -2.00 1.30 -0.14 1.61 1.01 0.65 -1.41 120.40 121.42 1t99 s VAL 2219Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1t99 s VAL 2219Cb 0.00 -1.14 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 1t99 s VAL 2219CO 0.00 0.15 -0.15 0.12 0.00 0.00 0.00 175.10 175.22 1t99 s PHE 2220N -0.71 2.78 -0.07 5.22 2.19 0.69 -0.72 117.98 127.36 1t99 s PHE 2220Ca 0.04 -0.89 -0.03 0.00 0.33 0.00 0.00 56.93 56.38 1t99 s PHE 2220Cb -0.08 -1.87 0.04 0.00 -1.31 0.00 0.00 43.02 39.80 1t99 s PHE 2220CO 0.01 -0.38 0.16 -1.64 1.83 0.00 0.00 175.22 175.20 1t99 s MET 2221N 0.64 0.12 -0.05 10.12 -1.94 0.45 -0.77 119.30 127.88 1t99 s MET 2221Ca -0.08 0.39 -0.17 0.00 -1.71 0.00 0.00 55.69 54.12 1t99 s MET 2221Cb -0.16 -0.15 -0.05 0.00 2.01 0.00 0.00 34.83 36.48 1t99 s MET 2221CO 0.02 -0.15 0.48 -1.21 -0.01 0.00 0.00 175.02 174.15 1t99 s GLU 2222N 1.11 4.19 0.04 2.03 2.02 -1.26 -2.88 118.70 123.95 1t99 s GLU 2222Ca -0.09 0.50 0.02 0.00 0.02 0.00 0.00 54.97 55.42 1t99 s GLU 2222Cb -0.11 -3.33 -0.02 0.00 0.10 0.00 0.00 34.13 30.77 1t99 s GLU 2222CO -0.06 0.41 -0.07 -0.08 0.02 0.00 0.00 175.26 175.48 1t99 s THR 2223N -0.22 0.49 -0.07 3.63 -1.32 0.30 -0.90 115.64 117.54 1t99 s THR 2223Ca 0.26 -0.98 -0.08 0.00 -1.21 0.00 0.00 61.69 59.68 1t99 s THR 2223Cb -0.16 -0.55 0.02 0.00 -1.51 0.00 0.00 72.50 70.30 1t99 s THR 2223CO 0.13 -0.34 0.21 -2.28 -2.21 0.00 0.00 174.62 170.13 1t99 s HIS 2224N -1.26 -0.21 0.32 9.09 5.04 -0.02 -2.56 115.29 125.68 1t99 s HIS 2224Ca -0.09 0.51 0.06 0.00 -1.54 0.00 0.00 55.06 54.00 1t99 s HIS 2224Cb -0.09 0.07 0.73 0.00 0.04 0.00 0.00 32.58 33.33 1t99 s HIS 2224CO 0.00 -0.14 1.82 -1.35 -2.34 0.00 0.00 174.74 172.73 1t99 h PRO 2225N 5.60 0.77 -2.17 2.88 0.11 -1.94 -1.79 132.00 135.47 1t99 h PRO 2225Ca -0.26 -0.05 -0.52 0.00 0.11 0.00 0.00 66.00 65.28 1t99 h PRO 2225Cb 1.19 -0.17 -0.35 0.00 0.11 0.00 0.00 31.00 31.78 1t99 h PRO 2225CO 0.38 0.51 -0.90 -1.21 -0.21 0.00 0.00 178.00 176.56 1t99 s GLU 2226N -5.82 0.91 0.40 1.05 2.02 -1.26 -4.50 118.70 111.50 1t99 s GLU 2226Ca -0.11 -1.92 0.21 0.00 0.02 0.00 0.00 54.97 53.17 1t99 s GLU 2226Cb 0.23 -1.20 1.20 0.00 0.10 0.00 0.00 34.13 34.46 1t99 s GLU 2226CO 0.80 -1.37 1.70 -1.35 0.02 0.00 0.00 175.26 175.05 1t99 h PRO 2227N 5.61 0.28 -0.99 0.39 0.11 -1.84 0.60 132.00 136.15 1t99 h PRO 2227Ca 0.23 -0.02 0.23 0.00 0.11 0.00 0.00 66.00 66.55 1t99 h PRO 2227Cb 0.94 -0.06 -0.09 0.00 0.11 0.00 0.00 31.00 31.90 1t99 h PRO 2227CO 0.31 0.18 0.63 1.05 -0.21 0.00 0.00 178.00 179.97 1t99 h GLU 2228N 0.28 0.49 -0.27 1.05 4.11 -1.93 0.45 114.58 118.77 1t99 h GLU 2228Ca 0.70 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 60.10 1t99 h GLU 2228Cb 1.88 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 31.02 1t99 h GLU 2228CO -0.41 0.32 0.00 1.63 0.07 0.00 0.00 179.01 180.62 1t99 n LYS 2229N -4.64 2.29 -1.71 1.06 5.02 0.20 -4.99 118.16 115.38 1t99 n LYS 2229Ca 0.23 -1.93 -0.39 0.00 -2.02 0.00 0.00 58.31 54.20 1t99 n LYS 2229Cb 0.74 -1.48 0.03 0.00 -0.02 0.00 0.00 35.03 34.31 1t99 n LYS 2229CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1t99 n ALA 2230N 1.18 1.34 1.13 7.82 0.00 0.15 -4.90 120.51 127.23 1t99 n ALA 2230Ca 0.18 0.17 0.13 0.00 0.00 0.00 0.00 53.44 53.92 1t99 n ALA 2230Cb 0.54 -2.30 0.48 0.00 0.00 0.00 0.00 19.45 18.17 1t99 n ALA 2230CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1t99 n LEU 2231N -0.50 0.37 -3.73 0.00 4.77 -1.26 -4.57 117.00 112.08 1t99 n LEU 2231Ca 0.09 0.14 -0.14 0.00 -0.03 0.00 0.00 56.01 56.08 1t99 n LEU 2231Cb 0.43 -0.30 -0.09 0.00 -2.33 0.00 0.00 43.42 41.13 1t99 n LEU 2231CO 0.55 0.08 0.07 -0.55 -1.33 0.00 0.00 177.39 176.21 1t99 s SER 2232N -2.82 -0.30 -1.70 -1.43 0.15 -1.26 -4.63 113.70 101.71 1t99 s SER 2232Ca 0.18 0.38 -0.16 0.00 0.70 0.00 0.00 55.95 57.05 1t99 s SER 2232Cb 0.19 0.50 0.15 0.00 -1.71 0.00 0.00 66.02 65.14 1t99 s SER 2232CO 0.57 -0.35 0.61 0.47 1.20 0.00 0.00 173.24 175.74 1t99 n ASP 2233N 1.80 -2.13 -0.30 5.45 8.00 -1.26 -4.82 116.55 123.30 1t99 n ASP 2233Ca -0.18 -1.10 0.01 0.00 0.71 0.00 0.00 54.79 54.22 1t99 n ASP 2233Cb 0.57 -2.36 0.14 0.00 -0.02 0.00 0.00 41.12 39.44 1t99 n ASP 2233CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1t99 h ALA 2234N 0.88 1.14 0.00 2.24 0.00 -1.80 -1.91 119.26 119.80 1t99 h ALA 2234Ca -0.61 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 1t99 h ALA 2234Cb 1.39 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1t99 h ALA 2234CO 0.79 0.23 -0.06 0.77 0.00 0.00 0.00 179.25 180.98 1t99 h SER 2235N 0.92 0.00 -0.00 0.00 0.02 -1.88 -3.31 113.55 109.30 1t99 h SER 2235Ca 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 1t99 h SER 2235Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1t99 h SER 2235CO -0.18 0.06 -0.11 0.35 -1.14 0.00 0.00 176.83 175.81 1t99 n THR 2236N -3.63 0.00 -2.22 -2.27 -2.24 -0.96 -4.26 114.28 98.70 1t99 n THR 2236Ca -0.02 -0.44 -0.41 0.00 -2.27 0.00 0.00 64.05 60.90 1t99 n THR 2236Cb 0.17 1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.37 1t99 n THR 2236CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1t99 s GLN 2237N -1.20 4.40 0.15 -0.78 -0.21 -0.76 -4.90 119.66 116.37 1t99 s GLN 2237Ca 0.01 2.05 -0.30 0.00 0.02 0.00 0.00 55.36 57.15 1t99 s GLN 2237Cb 0.02 -3.18 -0.07 0.00 1.00 0.00 0.00 33.01 30.78 1t99 s GLN 2237CO 0.10 -0.21 1.05 -1.17 -2.12 0.00 0.00 175.29 172.93 1t99 s LEU 2238N -0.40 4.50 0.24 2.90 2.96 -0.08 -4.71 118.68 124.08 1t99 s LEU 2238Ca 0.55 1.98 -0.31 0.00 -0.22 0.00 0.00 54.13 56.13 1t99 s LEU 2238Cb -0.36 -3.60 -0.12 0.00 0.50 0.00 0.00 46.19 42.61 1t99 s LEU 2238CO 0.40 -0.16 1.67 -2.65 -1.32 0.00 0.00 176.35 174.29 1t99 n PRO 2239N 2.52 2.73 -0.33 0.98 -0.02 -1.26 -0.84 135.00 138.78 1t99 n PRO 2239Ca 0.03 0.98 0.13 0.00 -2.02 0.00 0.00 63.50 62.61 1t99 n PRO 2239Cb 0.47 -2.80 0.32 0.00 -0.02 0.00 0.00 33.50 31.47 1t99 n PRO 2239CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1t99 h LEU 2240N 5.92 0.65 -2.47 2.45 6.46 -1.55 -0.50 115.31 126.27 1t99 h LEU 2240Ca -0.45 0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 57.43 1t99 h LEU 2240Cb 1.21 0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 41.15 1t99 h LEU 2240CO 0.89 0.19 -0.00 0.77 -0.62 0.00 0.00 178.44 179.66 1t99 h SER 2241N 0.64 0.00 0.62 1.25 4.64 -1.89 -2.41 113.55 116.40 1t99 h SER 2241Ca 0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 1t99 h SER 2241Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1t99 h SER 2241CO -0.42 0.00 -0.50 0.00 -0.87 0.00 0.00 176.83 175.04 1t99 n GLN 2242N -3.09 0.07 -0.13 4.77 6.02 -0.20 -4.43 117.38 120.38 1t99 n GLN 2242Ca -0.02 0.02 -0.07 0.00 -0.01 0.00 0.00 57.00 56.92 1t99 n GLN 2242Cb 0.15 -1.54 0.01 0.00 1.02 0.00 0.00 30.24 29.88 1t99 n GLN 2242CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1t99 h LEU 2243N 0.00 0.42 -0.06 1.08 5.85 -1.47 -2.95 115.31 118.17 1t99 h LEU 2243Ca 0.00 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1t99 h LEU 2243Cb 0.56 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1t99 h LEU 2243CO 0.00 0.30 -0.04 -0.08 -0.34 0.00 0.00 178.44 178.28 1t99 h GLU 2244N 0.51 -0.05 -0.94 1.25 4.81 -1.79 -1.32 114.58 117.06 1t99 h GLU 2244Ca 0.16 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.49 1t99 h GLU 2244Cb -0.01 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.31 1t99 h GLU 2244CO -0.06 -0.03 0.60 0.78 -0.73 0.00 0.00 179.01 179.57 1t99 h GLY 2245N -0.05 1.41 1.36 1.92 0.00 -1.83 -0.24 103.07 105.64 1t99 h GLY 2245Ca 0.04 -0.40 -0.19 0.00 0.00 0.00 0.00 47.33 46.79 1t99 h GLY 2245CO -0.09 0.22 -0.64 -2.22 0.00 0.00 0.00 176.54 173.81 1t99 h ILE 2246N 0.97 1.31 -0.25 2.60 2.04 -1.29 -1.57 117.51 121.32 1t99 h ILE 2246Ca 0.43 -1.89 -0.03 0.00 1.00 0.00 0.00 64.86 64.37 1t99 h ILE 2246Cb 0.38 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 1t99 h ILE 2246CO -0.19 0.59 0.03 0.40 0.00 0.00 0.00 178.15 178.98 1t99 h ILE 2247N 0.48 1.23 -0.66 -0.67 2.04 -0.65 -0.56 117.51 118.73 1t99 h ILE 2247Ca -0.01 -0.79 0.02 0.00 1.00 0.00 0.00 64.86 65.07 1t99 h ILE 2247Cb 1.22 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 38.54 1t99 h ILE 2247CO 0.13 0.25 0.42 -0.08 0.00 0.00 0.00 178.15 178.86 1t99 h GLU 2248N 0.22 0.80 -0.63 2.37 4.57 -1.05 -1.37 114.58 119.50 1t99 h GLU 2248Ca 0.07 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1t99 h GLU 2248Cb 0.34 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 1t99 h GLU 2248CO 0.01 0.53 0.42 0.00 -1.18 0.00 0.00 179.01 178.78 1t99 h ALA 2249N 1.27 0.80 0.00 2.92 0.00 -0.97 -1.92 119.26 121.35 1t99 h ALA 2249Ca 0.26 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1t99 h ALA 2249Cb -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1t99 h ALA 2249CO -0.09 0.22 -0.33 -0.84 0.00 0.00 0.00 179.25 178.22 1t99 h ILE 2250N 0.85 0.65 -0.25 0.00 3.07 -0.73 -1.75 117.51 119.35 1t99 h ILE 2250Ca 0.23 -1.57 -0.16 0.00 1.55 0.00 0.00 64.86 64.90 1t99 h ILE 2250Cb -0.10 2.06 0.00 0.00 -0.27 0.00 0.00 36.82 38.51 1t99 h ILE 2250CO -0.05 0.32 -0.48 -0.07 -1.05 0.00 0.00 178.15 176.82 1t99 h LEU 2251N 0.00 0.85 -0.38 0.16 3.38 -1.00 -0.89 115.31 117.44 1t99 h LEU 2251Ca -0.00 -0.54 -0.06 0.00 0.09 0.00 0.00 57.88 57.37 1t99 h LEU 2251Cb 1.03 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1t99 h LEU 2251CO 0.04 1.23 0.02 -0.33 0.09 0.00 0.00 178.44 179.49 1t99 h GLU 2252N 0.51 0.66 -0.40 1.13 5.08 -1.23 0.28 114.58 120.61 1t99 h GLU 2252Ca 0.01 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.14 1t99 h GLU 2252Cb 1.08 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 1t99 h GLU 2252CO 0.11 0.75 0.15 0.82 -1.00 0.00 0.00 179.01 179.83 1t99 h ILE 2253N 0.49 1.21 -0.69 3.13 2.04 -1.33 -2.71 117.51 119.65 1t99 h ILE 2253Ca 0.11 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 1t99 h ILE 2253Cb 0.44 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 1t99 h ILE 2253CO 0.02 0.23 0.40 -0.09 0.00 0.00 0.00 178.15 178.71 1t99 h ARG 2254N 0.50 0.94 -0.70 2.37 2.43 -1.04 0.27 114.38 119.15 1t99 h ARG 2254Ca 0.13 -0.09 0.10 0.00 -0.81 0.00 0.00 59.98 59.31 1t99 h ARG 2254Cb 0.22 -0.19 -0.07 0.00 -0.42 0.00 0.00 29.97 29.50 1t99 h ARG 2254CO -0.01 0.68 0.33 1.49 -1.51 0.00 0.00 179.97 180.95 1t99 h GLU 2255N 0.94 0.53 0.20 0.20 4.22 -0.70 0.19 114.58 120.16 1t99 h GLU 2255Ca 0.24 -0.03 -0.26 0.00 0.08 0.00 0.00 59.36 59.40 1t99 h GLU 2255Cb -0.00 -0.12 0.03 0.00 0.50 0.00 0.00 28.75 29.16 1t99 h GLU 2255CO -0.04 0.35 -1.13 0.28 -2.18 0.00 0.00 179.01 176.29 1t99 h VAL 2256N 0.55 1.40 0.00 0.32 2.07 -1.16 -3.36 116.25 116.07 1t99 h VAL 2256Ca 0.35 -2.61 -0.10 0.00 0.82 0.00 0.00 66.70 65.16 1t99 h VAL 2256Cb 0.41 3.13 -0.01 0.00 -1.52 0.00 0.00 31.29 33.30 1t99 h VAL 2256CO -0.30 0.76 -0.49 0.00 0.02 0.00 0.00 177.57 177.56 1t99 h ALA 2257N 0.11 0.85 -0.31 1.67 0.00 -0.23 -3.25 119.26 118.11 1t99 h ALA 2257Ca -0.20 -0.45 0.09 0.00 0.00 0.00 0.00 54.91 54.35 1t99 h ALA 2257Cb 1.89 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 1t99 h ALA 2257CO 0.21 0.62 0.32 0.66 0.00 0.00 0.00 179.25 181.05 1t99 h SER 2258N 0.00 0.00 -0.35 0.00 4.64 -0.78 0.24 113.55 117.30 1t99 h SER 2258Ca -0.00 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.42 1t99 h SER 2258Cb 1.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1t99 h SER 2258CO 0.06 0.00 0.25 0.50 -0.87 0.00 0.00 176.83 176.78 1t99 h LYS 2259N 0.00 0.00 -0.38 4.77 3.64 -1.78 -2.57 116.57 120.25 1t99 h LYS 2259Ca 0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1t99 h LYS 2259Cb 0.78 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1t99 h LYS 2259CO -0.00 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.84 1t99 n TYR 2260N -4.43 0.50 -1.94 1.91 4.02 0.82 -4.98 117.16 113.07 1t99 n TYR 2260Ca 0.05 -0.38 -0.42 0.00 -0.01 0.00 0.00 57.90 57.14 1t99 n TYR 2260Cb 0.43 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.71 1t99 n TYR 2260CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1t99 s TYR 2261N -1.07 3.05 0.48 -0.72 2.02 -0.97 -4.95 117.35 115.20 1t99 s TYR 2261Ca 0.29 0.69 -0.22 0.00 -0.37 0.00 0.00 57.07 57.46 1t99 s TYR 2261Cb 0.16 -3.91 -0.07 0.00 -0.40 0.00 0.00 41.96 37.74 1t99 s TYR 2261CO 0.22 -3.31 1.13 -1.21 -1.57 0.00 0.00 175.55 170.81 1t99 s GLU 2262N 0.92 3.68 0.07 -0.62 8.01 -1.26 -4.97 118.70 124.53 1t99 s GLU 2262Ca 0.68 1.67 -0.24 0.00 0.01 0.00 0.00 54.97 57.10 1t99 s GLU 2262Cb -0.43 -2.28 -0.16 0.00 -4.31 0.00 0.00 34.13 26.95 1t99 s GLU 2262CO 0.33 -0.59 1.65 1.15 0.01 0.00 0.00 175.26 177.81 1t99 h THR 2263N 1.68 1.03 0.00 3.63 2.02 -2.01 -3.53 112.91 115.73 1t99 h THR 2263Ca -0.49 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.49 1t99 h THR 2263Cb 1.25 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.82 1t99 h THR 2263CO 0.59 0.05 0.00 2.30 0.37 0.00 0.00 175.52 178.83