#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a9x n PRO 2002N 0.00 2.37 -1.79 2.12 -0.05 -1.25 -3.16 135.00 133.24 1a9x n PRO 2002Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 63.50 63.03 1a9x n PRO 2002Cb 0.00 0.00 -0.02 0.00 -0.05 0.00 0.00 33.50 33.43 1a9x n PRO 2002CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 175.50 173.86 1a9x s LYS 2003N 0.71 4.13 0.37 0.54 -2.85 -1.26 -3.33 119.74 118.06 1a9x s LYS 2003Ca 0.00 2.56 -0.28 0.00 -1.00 0.00 0.00 55.97 57.25 1a9x s LYS 2003Cb 0.00 -3.04 -0.11 0.00 -2.06 0.00 0.00 37.83 32.61 1a9x s LYS 2003CO 0.00 -0.65 1.46 0.54 0.10 0.00 0.00 175.35 176.81 1a9x n ARG 2004N 2.65 2.60 -0.07 1.78 1.74 0.30 -4.94 116.66 120.72 1a9x n ARG 2004Ca 0.10 0.91 -0.12 0.00 -0.77 0.00 0.00 57.85 57.97 1a9x n ARG 2004Cb 0.37 -2.62 -0.14 0.00 -1.02 0.00 0.00 32.46 29.04 1a9x n ARG 2004CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1a9x n THR 2005N 0.41 1.51 1.61 0.55 -1.04 -1.26 -4.31 114.28 111.74 1a9x n THR 2005Ca 0.02 -0.76 0.00 0.00 -2.04 0.00 0.00 64.05 61.26 1a9x n THR 2005Cb 0.38 -0.94 0.00 0.00 -1.82 0.00 0.00 70.33 67.96 1a9x n THR 2005CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1a9x n ASP 2006N -3.01 0.22 -3.97 8.00 5.75 -1.26 -4.68 116.55 117.60 1a9x n ASP 2006Ca -0.31 -1.82 -0.18 0.00 -0.01 0.00 0.00 54.79 52.46 1a9x n ASP 2006Cb 1.09 -0.11 -0.15 0.00 -1.03 0.00 0.00 41.12 40.92 1a9x n ASP 2006CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1a9x s ILE 2007N -1.76 0.60 0.00 2.12 1.01 -1.26 -4.98 121.20 116.92 1a9x s ILE 2007Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.37 1a9x s ILE 2007Cb 0.00 -0.53 0.00 0.00 0.01 0.00 0.00 42.46 41.94 1a9x s ILE 2007CO 0.00 0.19 0.00 0.29 0.00 0.00 0.00 174.94 175.42 1a9x n LYS 2008N 3.19 1.41 -5.20 2.79 4.01 -1.26 -4.94 118.16 118.14 1a9x n LYS 2008Ca -0.16 0.00 -0.30 0.00 -0.51 0.00 0.00 58.31 57.34 1a9x n LYS 2008Cb 0.56 -0.76 -0.16 0.00 -0.51 0.00 0.00 35.03 34.15 1a9x n LYS 2008CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1a9x s SER 2009N -2.55 2.89 -0.02 4.39 1.04 -1.26 0.15 113.70 118.33 1a9x s SER 2009Ca 0.00 -0.45 0.02 0.00 0.48 0.00 0.00 55.95 56.00 1a9x s SER 2009Cb 0.00 -0.32 0.00 0.00 0.10 0.00 0.00 66.02 65.81 1a9x s SER 2009CO 0.00 0.30 -0.08 -0.63 0.98 0.00 0.00 173.24 173.81 1a9x s ILE 2010N -0.59 0.70 -0.25 -1.02 1.01 0.11 -1.85 121.20 119.31 1a9x s ILE 2010Ca 0.10 -0.32 -0.10 0.00 0.00 0.00 0.00 60.65 60.32 1a9x s ILE 2010Cb -0.09 -0.63 -0.05 0.00 0.01 0.00 0.00 42.46 41.70 1a9x s ILE 2010CO -0.01 0.22 0.16 -0.22 0.00 0.00 0.00 174.94 175.10 1a9x s LEU 2011N 0.19 4.04 -0.25 2.97 2.96 0.10 -0.58 118.68 128.12 1a9x s LEU 2011Ca -0.03 0.05 -0.08 0.00 -0.22 0.00 0.00 54.13 53.85 1a9x s LEU 2011Cb -0.08 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 1a9x s LEU 2011CO 0.00 0.02 0.10 -0.63 -1.32 0.00 0.00 176.35 174.53 1a9x s ILE 2012N 1.31 4.63 -0.31 6.68 1.01 0.48 -1.60 121.20 133.40 1a9x s ILE 2012Ca 0.07 -0.07 -0.26 0.00 0.00 0.00 0.00 60.65 60.40 1a9x s ILE 2012Cb -0.14 -3.17 0.01 0.00 0.01 0.00 0.00 42.46 39.17 1a9x s ILE 2012CO 0.07 0.33 0.92 -0.76 0.00 0.00 0.00 174.94 175.49 1a9x s LEU 2013N 1.52 4.03 1.03 2.97 1.43 -1.19 -0.74 118.68 127.73 1a9x s LEU 2013Ca 0.06 0.85 -0.17 0.00 -1.03 0.00 0.00 54.13 53.84 1a9x s LEU 2013Cb -0.15 -3.29 0.22 0.00 0.03 0.00 0.00 46.19 43.00 1a9x s LEU 2013CO 0.05 -0.73 1.27 -0.83 0.23 0.00 0.00 176.35 176.34 1a9x s GLY 2014N 1.61 1.73 0.01 -3.19 0.00 0.33 -3.62 107.32 104.20 1a9x s GLY 2014Ca 0.38 -1.13 0.23 0.00 0.00 0.00 0.00 44.72 44.20 1a9x s GLY 2014CO 0.13 -0.33 1.08 0.00 0.00 0.00 0.00 173.10 173.98 1a9x n ALA 2015N -4.04 4.01 0.00 3.20 0.00 -1.26 -4.23 120.51 118.19 1a9x n ALA 2015Ca 0.15 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1a9x n ALA 2015Cb 0.59 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.12 1a9x n ALA 2015CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a9x n GLY 2016N 1.46 -1.93 3.73 0.00 0.00 -1.26 -4.74 105.19 102.46 1a9x n GLY 2016Ca 0.04 -1.53 -0.36 0.00 0.00 0.00 0.00 46.02 44.17 1a9x n GLY 2016CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a9x s PRO 2017N 0.00 2.54 0.02 1.61 0.04 -1.26 -4.54 135.00 133.41 1a9x s PRO 2017Ca 0.00 1.96 -0.30 0.00 0.04 0.00 0.00 61.00 62.70 1a9x s PRO 2017Cb 0.00 -1.86 -0.06 0.00 0.04 0.00 0.00 34.50 32.63 1a9x s PRO 2017CO 0.00 -1.58 1.35 0.42 0.04 0.00 0.00 177.00 177.23 1a9x s ILE 2018N -1.55 3.76 0.14 0.56 -1.09 -1.26 -4.93 121.20 116.83 1a9x s ILE 2018Ca 0.80 1.18 0.01 0.00 -2.23 0.00 0.00 60.65 60.40 1a9x s ILE 2018Cb -0.34 -3.76 -0.04 0.00 -1.58 0.00 0.00 42.46 36.74 1a9x s ILE 2018CO 0.39 0.02 0.01 0.68 -1.23 0.00 0.00 174.94 174.81 1a9x s VAL 2019N 2.03 0.48 0.17 2.92 -7.23 -0.25 -2.25 120.40 116.27 1a9x s VAL 2019Ca 0.62 -1.94 -0.32 0.00 -1.81 0.00 0.00 61.98 58.54 1a9x s VAL 2019Cb -0.31 -2.00 -0.11 0.00 0.56 0.00 0.00 36.38 34.53 1a9x s VAL 2019CO 0.27 -0.56 1.65 -0.63 -0.31 0.00 0.00 175.10 175.52 1a9x s ILE 2020N -3.78 2.43 0.00 -0.62 1.01 -1.26 -1.33 121.20 117.65 1a9x s ILE 2020Ca 0.21 0.26 0.00 0.00 0.00 0.00 0.00 60.65 61.12 1a9x s ILE 2020Cb 0.07 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 39.37 1a9x s ILE 2020CO 0.01 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.58 1a9x n GLY 2021N 3.90 3.16 2.58 6.18 0.00 -1.26 -4.93 105.19 114.82 1a9x n GLY 2021Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 1a9x n GLY 2021CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a9x s GLN 2022N -0.35 0.49 0.00 1.61 0.74 -0.44 -4.59 119.66 117.12 1a9x s GLN 2022Ca 0.00 -0.97 0.00 0.00 0.05 0.00 0.00 55.36 54.44 1a9x s GLN 2022Cb 0.00 -1.06 0.00 0.00 1.10 0.00 0.00 33.01 33.05 1a9x s GLN 2022CO 0.00 -1.16 0.00 0.00 -0.55 0.00 0.00 175.29 173.58 1a9x n ALA 2023N 4.40 0.00 0.29 1.58 0.00 -1.24 -1.09 120.51 124.45 1a9x n ALA 2023Ca 0.08 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.67 1a9x n ALA 2023Cb 0.41 0.00 0.80 0.00 0.00 0.00 0.00 19.45 20.66 1a9x n ALA 2023CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a9x h GLU 2025N 0.00 0.00 0.00 0.00 9.09 -1.93 -0.80 114.58 120.95 1a9x h GLU 2025Ca 0.00 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.26 1a9x h GLU 2025Cb 0.47 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.55 1a9x h GLU 2025CO 0.00 0.00 -0.69 0.74 0.05 0.00 0.00 179.01 179.11 1a9x h PHE 2026N 0.00 0.00 -0.06 2.06 0.04 -1.70 -0.42 116.94 116.86 1a9x h PHE 2026Ca 0.05 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.60 1a9x h PHE 2026Cb 0.51 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.67 1a9x h PHE 2026CO 0.00 0.69 -0.86 0.22 -0.60 0.00 0.00 178.31 177.76 1a9x h ASP 2027N 0.00 0.72 0.02 2.17 3.58 -1.36 0.15 116.42 121.70 1a9x h ASP 2027Ca -0.01 -0.52 -0.00 0.00 0.42 0.00 0.00 57.03 56.92 1a9x h ASP 2027Cb 1.50 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 42.33 1a9x h ASP 2027CO 0.09 1.31 -0.01 0.22 -2.88 0.00 0.00 179.24 177.97 1a9x h TYR 2028N 0.37 -0.02 -0.01 0.28 3.20 -1.36 0.38 116.97 119.81 1a9x h TYR 2028Ca -0.07 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.80 1a9x h TYR 2028Cb 1.49 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.76 1a9x h TYR 2028CO 0.07 0.02 0.00 0.77 -1.64 0.00 0.00 178.16 177.39 1a9x h SER 2029N -0.05 0.01 -0.50 -2.11 0.02 -1.06 -2.08 113.55 107.79 1a9x h SER 2029Ca -0.00 -0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 60.87 1a9x h SER 2029Cb 0.05 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1a9x h SER 2029CO 0.00 0.04 0.16 1.23 -1.14 0.00 0.00 176.83 177.13 1a9x h GLY 2030N -0.03 0.83 0.87 -3.77 0.00 -0.64 -1.02 103.07 99.31 1a9x h GLY 2030Ca 0.00 -0.49 0.04 0.00 0.00 0.00 0.00 47.33 46.88 1a9x h GLY 2030CO -0.00 0.45 0.58 0.00 0.00 0.00 0.00 176.54 177.57 1a9x h ALA 2031N 1.02 1.18 -0.39 3.60 0.00 -0.14 -0.78 119.26 123.75 1a9x h ALA 2031Ca 0.16 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1a9x h ALA 2031Cb 0.26 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1a9x h ALA 2031CO -0.01 0.43 -0.12 1.96 0.00 0.00 0.00 179.25 181.51 1a9x h GLN 2032N 1.12 0.78 -0.58 0.00 4.20 -1.02 -1.30 115.11 118.30 1a9x h GLN 2032Ca 0.36 -0.31 0.02 0.00 0.06 0.00 0.00 58.65 58.78 1a9x h GLN 2032Cb 0.02 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 1a9x h GLN 2032CO -0.12 0.93 0.37 0.00 -0.67 0.00 0.00 178.83 179.33 1a9x h ALA 2033N 0.83 0.75 -0.05 3.87 0.00 -0.83 -0.55 119.26 123.27 1a9x h ALA 2033Ca 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1a9x h ALA 2033Cb 0.66 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1a9x h ALA 2033CO 0.04 0.11 0.03 0.00 0.00 0.00 0.00 179.25 179.44 1a9x h LYS 2035N 0.02 0.68 -0.39 0.00 3.64 -0.95 0.17 116.57 119.74 1a9x h LYS 2035Ca 0.02 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 1a9x h LYS 2035Cb 0.05 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1a9x h LYS 2035CO -0.00 0.45 0.10 0.00 -2.27 0.00 0.00 179.45 177.72 1a9x h ALA 2036N 1.20 0.51 -0.24 5.00 0.00 -0.94 -0.20 119.26 124.59 1a9x h ALA 2036Ca 0.19 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1a9x h ALA 2036Cb -0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1a9x h ALA 2036CO -0.05 0.19 -0.04 -0.07 0.00 0.00 0.00 179.25 179.28 1a9x h LEU 2037N 0.49 0.46 0.03 0.00 3.38 -0.94 -2.43 115.31 116.29 1a9x h LEU 2037Ca 0.12 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.76 1a9x h LEU 2037Cb 0.30 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1a9x h LEU 2037CO 0.00 0.70 -0.12 -0.09 0.09 0.00 0.00 178.44 179.02 1a9x h ARG 2038N 0.21 -0.21 -0.94 1.13 2.43 -0.91 -1.66 114.38 114.41 1a9x h ARG 2038Ca 0.06 0.01 0.19 0.00 -0.81 0.00 0.00 59.98 59.44 1a9x h ARG 2038Cb 0.49 0.05 -0.11 0.00 -0.42 0.00 0.00 29.97 29.98 1a9x h ARG 2038CO 0.02 -0.14 0.53 0.93 -1.51 0.00 0.00 179.97 179.80 1a9x h GLU 2039N -0.22 0.63 -0.31 0.20 5.08 -1.00 -0.41 114.58 118.56 1a9x h GLU 2039Ca 0.03 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1a9x h GLU 2039Cb 0.26 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1a9x h GLU 2039CO -0.10 0.42 0.00 0.39 -1.00 0.00 0.00 179.01 178.72 1a9x n GLU 2040N -4.85 1.13 -1.24 2.33 -0.58 -0.66 -4.91 120.64 111.85 1a9x n GLU 2040Ca 0.22 -0.16 -0.05 0.00 -0.42 0.00 0.00 57.16 56.75 1a9x n GLU 2040Cb 0.56 -1.18 -0.02 0.00 -0.57 0.00 0.00 31.44 30.23 1a9x n GLU 2040CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a9x n GLY 2041N 0.42 0.74 3.91 0.62 0.00 -0.16 -5.05 105.19 105.67 1a9x n GLY 2041Ca 0.01 -0.80 -0.28 0.00 0.00 0.00 0.00 46.02 44.96 1a9x n GLY 2041CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a9x s TYR 2042N -2.21 3.48 -0.23 1.61 2.02 -0.99 -5.02 117.35 116.02 1a9x s TYR 2042Ca 0.00 0.56 -0.17 0.00 -0.37 0.00 0.00 57.07 57.08 1a9x s TYR 2042Cb 0.00 -2.04 -0.03 0.00 -0.40 0.00 0.00 41.96 39.49 1a9x s TYR 2042CO 0.00 0.17 0.48 0.50 -1.57 0.00 0.00 175.55 175.13 1a9x s ARG 2043N -3.70 4.13 -0.20 -0.62 3.52 0.12 -4.52 118.95 117.68 1a9x s ARG 2043Ca 0.43 0.30 -0.04 0.00 -0.13 0.00 0.00 55.73 56.29 1a9x s ARG 2043Cb -0.11 -3.60 -0.02 0.00 -1.56 0.00 0.00 34.95 29.67 1a9x s ARG 2043CO 0.31 -0.21 -0.03 0.08 -0.81 0.00 0.00 175.30 174.64 1a9x s VAL 2044N 1.85 3.64 -0.14 7.11 1.01 -1.26 0.09 120.40 132.70 1a9x s VAL 2044Ca 0.21 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.80 1a9x s VAL 2044Cb -0.15 -2.64 0.01 0.00 0.00 0.00 0.00 36.38 33.59 1a9x s VAL 2044CO 0.09 0.43 -0.21 -0.63 0.00 0.00 0.00 175.10 174.79 1a9x s ILE 2045N 1.16 2.20 0.01 2.22 1.01 0.26 -0.51 121.20 127.55 1a9x s ILE 2045Ca 0.02 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.76 1a9x s ILE 2045Cb -0.15 -1.89 -0.01 0.00 0.01 0.00 0.00 42.46 40.43 1a9x s ILE 2045CO 0.00 0.54 -0.07 0.54 0.00 0.00 0.00 174.94 175.96 1a9x s ASN 2046N 0.74 0.76 -0.14 3.58 4.22 -0.86 0.18 114.94 123.41 1a9x s ASN 2046Ca -0.08 -0.25 0.01 0.00 -2.14 0.00 0.00 52.86 50.40 1a9x s ASN 2046Cb -0.16 -0.04 -0.00 0.00 1.28 0.00 0.00 41.25 42.33 1a9x s ASN 2046CO 0.00 -0.01 -0.16 0.54 -2.04 0.00 0.00 177.10 175.42 1a9x s VAL 2047N -0.53 2.63 -0.24 3.54 0.11 0.08 -0.65 120.40 125.34 1a9x s VAL 2047Ca -0.01 -0.80 -0.05 0.00 -2.93 0.00 0.00 61.98 58.19 1a9x s VAL 2047Cb -0.05 -2.09 0.12 0.00 -1.53 0.00 0.00 36.38 32.84 1a9x s VAL 2047CO 0.00 0.52 0.47 0.21 -3.33 0.00 0.00 175.10 172.97 1a9x s ASN 2048N 0.65 -0.41 0.00 3.54 3.84 -0.61 0.12 114.94 122.08 1a9x s ASN 2048Ca -0.09 0.84 0.19 0.00 0.21 0.00 0.00 52.86 54.02 1a9x s ASN 2048Cb -0.16 1.55 0.82 0.00 -0.55 0.00 0.00 41.25 42.91 1a9x s ASN 2048CO 0.02 -0.25 1.61 -1.54 -2.79 0.00 0.00 177.10 174.15 1a9x n SER 2049N 5.40 0.01 -4.60 -4.21 3.41 -1.19 -3.96 113.62 108.48 1a9x n SER 2049Ca -0.06 0.50 -0.42 0.00 -0.26 0.00 0.00 58.87 58.63 1a9x n SER 2049Cb 0.50 -0.51 -0.05 0.00 -0.26 0.00 0.00 64.21 63.89 1a9x n SER 2049CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1a9x s ASN 2050N -3.02 6.61 0.39 4.04 2.47 -1.26 -1.68 114.94 122.48 1a9x s ASN 2050Ca 0.09 0.52 0.21 0.00 0.42 0.00 0.00 52.86 54.10 1a9x s ASN 2050Cb 0.12 -2.40 0.63 0.00 -1.45 0.00 0.00 41.25 38.15 1a9x s ASN 2050CO 0.35 -0.68 1.70 1.55 -3.72 0.00 0.00 177.10 176.31 1a9x h PRO 2051N 8.30 0.00 -1.82 0.43 0.13 -1.85 -3.30 132.00 133.88 1a9x h PRO 2051Ca -0.24 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.62 1a9x h PRO 2051Cb 1.09 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.12 1a9x h PRO 2051CO 0.90 0.30 0.18 0.00 -0.23 0.00 0.00 178.00 179.14 1a9x n ALA 2052N -2.22 5.39 -2.37 -0.56 0.00 -1.26 -4.69 120.51 114.79 1a9x n ALA 2052Ca 0.01 -1.62 -0.29 0.00 0.00 0.00 0.00 53.44 51.53 1a9x n ALA 2052Cb 0.53 -1.63 -0.15 0.00 0.00 0.00 0.00 19.45 18.20 1a9x n ALA 2052CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1a9x s THR 2053N -1.19 1.96 0.34 0.00 -4.23 -1.25 -4.70 115.64 106.58 1a9x s THR 2053Ca 0.37 -1.19 0.12 0.00 -1.18 0.00 0.00 61.69 59.81 1a9x s THR 2053Cb 0.23 -1.66 0.06 0.00 1.34 0.00 0.00 72.50 72.48 1a9x s THR 2053CO -0.05 0.43 1.77 0.40 -0.54 0.00 0.00 174.62 176.63 1a9x h ILE 2054N 4.40 1.30 0.00 2.99 1.08 -1.89 -2.79 117.51 122.60 1a9x h ILE 2054Ca -0.44 -1.51 0.00 0.00 -0.39 0.00 0.00 64.86 62.53 1a9x h ILE 2054Cb 1.14 1.81 0.00 0.00 -3.07 0.00 0.00 36.82 36.70 1a9x h ILE 2054CO 0.45 0.43 0.00 0.00 -0.69 0.00 0.00 178.15 178.34 1a9x h MET 2055N 0.00 0.00 -0.60 2.37 -0.00 -1.92 0.02 114.93 114.79 1a9x h MET 2055Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1a9x h MET 2055Cb 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.38 1a9x h MET 2055CO 0.06 0.00 0.00 0.25 -0.00 0.00 0.00 176.91 177.22 1a9x n THR 2056N -2.55 0.80 -2.25 -0.10 -2.24 -1.05 -4.78 114.28 102.11 1a9x n THR 2056Ca -0.00 -0.82 -0.41 0.00 -2.27 0.00 0.00 64.05 60.54 1a9x n THR 2056Cb 0.15 0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 68.81 1a9x n THR 2056CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1a9x s ASP 2057N -1.05 6.94 0.29 3.42 1.01 -0.01 -4.87 116.67 122.40 1a9x s ASP 2057Ca 0.42 2.35 0.04 0.00 0.71 0.00 0.00 52.55 56.06 1a9x s ASP 2057Cb 0.22 -2.61 0.75 0.00 1.01 0.00 0.00 42.92 42.29 1a9x s ASP 2057CO 0.29 -0.50 1.67 1.55 0.21 0.00 0.00 175.17 178.38 1a9x h PRO 2058N 5.50 0.28 0.00 8.23 0.13 -1.90 0.24 132.00 144.48 1a9x h PRO 2058Ca -0.44 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1a9x h PRO 2058Cb 1.21 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1a9x h PRO 2058CO 0.77 0.19 0.00 -0.85 -0.23 0.00 0.00 178.00 177.88 1a9x n GLU 2059N -5.14 0.01 0.14 0.86 0.00 -1.26 -3.15 120.64 112.09 1a9x n GLU 2059Ca 0.22 0.23 0.12 0.00 0.00 0.00 0.00 57.16 57.74 1a9x n GLU 2059Cb 0.69 -1.52 0.23 0.00 0.00 0.00 0.00 31.44 30.85 1a9x n GLU 2059CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.13 177.65 1a9x h MET 2060N 0.00 0.00 -3.69 3.44 2.86 -1.27 -3.47 114.93 112.80 1a9x h MET 2060Ca 0.00 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 1a9x h MET 2060Cb 0.28 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.86 1a9x h MET 2060CO 0.00 0.00 -0.10 0.00 1.06 0.00 0.00 176.91 177.87 1a9x s ALA 2061N -3.18 -0.06 -0.08 6.32 0.00 -1.19 -4.68 121.76 118.88 1a9x s ALA 2061Ca 0.07 -1.01 -0.25 0.00 0.00 0.00 0.00 51.96 50.77 1a9x s ALA 2061Cb 0.10 1.05 -0.27 0.00 0.00 0.00 0.00 23.12 24.00 1a9x s ALA 2061CO 0.67 -0.85 0.90 -0.44 0.00 0.00 0.00 175.76 176.04 1a9x h ASP 2062N 2.20 0.22 -3.20 0.00 3.32 -1.05 -3.44 116.42 114.46 1a9x h ASP 2062Ca -0.27 -0.91 -0.52 0.00 0.02 0.00 0.00 57.03 55.35 1a9x h ASP 2062Cb 1.25 -0.07 -0.40 0.00 0.22 0.00 0.00 39.33 40.33 1a9x h ASP 2062CO 0.37 1.10 -0.76 0.00 -1.72 0.00 0.00 179.24 178.23 1a9x s ALA 2063N -2.61 0.99 -0.21 3.45 0.00 -0.16 -4.88 121.76 118.35 1a9x s ALA 2063Ca -0.16 -0.82 -0.06 0.00 0.00 0.00 0.00 51.96 50.92 1a9x s ALA 2063Cb -0.00 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.85 1a9x s ALA 2063CO 0.75 -1.28 0.02 0.99 0.00 0.00 0.00 175.76 176.25 1a9x s THR 2064N 1.87 4.13 -0.34 0.00 2.01 -1.26 -2.04 115.64 120.00 1a9x s THR 2064Ca 0.01 -0.25 -0.06 0.00 0.31 0.00 0.00 61.69 61.70 1a9x s THR 2064Cb -0.17 -2.88 0.05 0.00 0.01 0.00 0.00 72.50 69.50 1a9x s THR 2064CO -0.13 0.41 0.11 -0.31 -0.69 0.00 0.00 174.62 174.01 1a9x s TYR 2065N 1.11 3.28 -1.17 4.92 2.02 0.18 0.78 117.35 128.47 1a9x s TYR 2065Ca 0.03 -1.51 -0.10 0.00 -0.37 0.00 0.00 57.07 55.12 1a9x s TYR 2065Cb -0.14 -2.35 0.23 0.00 -0.40 0.00 0.00 41.96 39.29 1a9x s TYR 2065CO 0.02 -0.75 1.36 -0.89 -1.57 0.00 0.00 175.55 173.71 1a9x n ILE 2066N 4.79 4.51 -4.25 2.71 5.41 -1.26 -1.57 119.36 129.72 1a9x n ILE 2066Ca -0.12 -5.10 -0.14 0.00 1.00 0.00 0.00 62.75 58.40 1a9x n ILE 2066Cb 0.44 -2.47 -0.10 0.00 -0.71 0.00 0.00 39.64 36.81 1a9x n ILE 2066CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1a9x s GLU 2067N -0.19 1.08 0.22 0.38 0.41 -1.25 -4.58 118.70 114.77 1a9x s GLU 2067Ca 0.36 -1.49 -0.32 0.00 -0.41 0.00 0.00 54.97 53.11 1a9x s GLU 2067Cb -0.04 -0.44 -0.14 0.00 -1.78 0.00 0.00 34.13 31.74 1a9x s GLU 2067CO -0.02 -0.03 1.39 -2.30 -0.49 0.00 0.00 175.26 173.81 1a9x n PRO 2068N -0.22 1.90 -2.48 0.39 -0.02 -1.26 -3.18 135.00 130.13 1a9x n PRO 2068Ca -0.09 0.68 -0.43 0.00 -2.02 0.00 0.00 63.50 61.64 1a9x n PRO 2068Cb 0.62 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1a9x n PRO 2068CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1a9x n ILE 2069N 2.04 4.15 -5.29 4.25 5.41 -1.26 -4.64 119.36 124.02 1a9x n ILE 2069Ca 0.13 -4.29 -0.31 0.00 1.00 0.00 0.00 62.75 59.28 1a9x n ILE 2069Cb 0.30 -2.42 -0.16 0.00 -0.71 0.00 0.00 39.64 36.65 1a9x n ILE 2069CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 1a9x s HIS 2070N 1.57 2.35 0.40 1.39 2.46 -1.26 -5.01 115.29 117.19 1a9x s HIS 2070Ca 0.43 -0.43 0.13 0.00 0.47 0.00 0.00 55.06 55.66 1a9x s HIS 2070Cb 0.06 -1.51 0.95 0.00 -0.13 0.00 0.00 32.58 31.95 1a9x s HIS 2070CO -0.00 -0.03 1.92 0.11 -2.47 0.00 0.00 174.74 174.27 1a9x h TRP 2071N 5.48 0.59 -0.43 3.88 5.08 -1.90 -0.09 115.95 128.55 1a9x h TRP 2071Ca -0.43 0.02 -0.12 0.00 1.08 0.00 0.00 58.89 59.43 1a9x h TRP 2071Cb 1.12 -0.19 -0.01 0.00 -3.00 0.00 0.00 29.16 27.08 1a9x h TRP 2071CO 0.40 0.24 -0.21 0.93 -1.28 0.00 0.00 178.44 178.51 1a9x h GLU 2072N 0.52 0.87 -0.30 0.12 5.08 -1.96 0.43 114.58 119.34 1a9x h GLU 2072Ca 0.37 -0.36 -0.16 0.00 -1.00 0.00 0.00 59.36 58.21 1a9x h GLU 2072Cb 0.70 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1a9x h GLU 2072CO -0.13 1.00 -0.44 0.28 -1.00 0.00 0.00 179.01 178.71 1a9x h VAL 2073N 0.76 1.29 -0.47 3.13 2.07 -1.38 -2.25 116.25 119.39 1a9x h VAL 2073Ca 0.10 -1.63 -0.08 0.00 0.82 0.00 0.00 66.70 65.91 1a9x h VAL 2073Cb 0.75 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 1a9x h VAL 2073CO 0.06 0.53 -0.02 0.58 0.02 0.00 0.00 177.57 178.74 1a9x h VAL 2074N 0.61 1.26 -0.91 2.57 2.07 -0.97 -0.60 116.25 120.28 1a9x h VAL 2074Ca 0.04 -1.09 0.15 0.00 0.82 0.00 0.00 66.70 66.61 1a9x h VAL 2074Cb 1.01 1.03 -0.09 0.00 -1.52 0.00 0.00 31.29 31.72 1a9x h VAL 2074CO 0.10 0.38 0.51 -0.09 0.02 0.00 0.00 177.57 178.49 1a9x h ARG 2075N 0.69 0.71 -0.74 1.57 2.43 0.17 0.25 114.38 119.46 1a9x h ARG 2075Ca 0.13 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.21 1a9x h ARG 2075Cb 0.53 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 1a9x h ARG 2075CO 0.03 0.47 0.28 0.87 -1.51 0.00 0.00 179.97 180.11 1a9x h LYS 2076N 0.73 1.11 -0.48 0.20 1.79 -0.69 -1.26 116.57 117.98 1a9x h LYS 2076Ca 0.49 -0.21 -0.02 0.00 -2.18 0.00 0.00 60.65 58.73 1a9x h LYS 2076Cb 0.67 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 31.12 1a9x h LYS 2076CO -0.34 0.92 0.23 0.82 -1.08 0.00 0.00 179.45 180.00 1a9x h ILE 2077N 1.07 1.19 0.42 1.86 2.04 0.85 -1.00 117.51 123.93 1a9x h ILE 2077Ca 0.24 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 1a9x h ILE 2077Cb 0.24 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1a9x h ILE 2077CO -0.02 0.21 -0.21 0.40 0.00 0.00 0.00 178.15 178.53 1a9x h ILE 2078N 0.63 0.56 -0.62 -0.67 2.04 -0.53 1.03 117.51 119.95 1a9x h ILE 2078Ca 0.16 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.13 1a9x h ILE 2078Cb 0.12 0.56 -0.08 0.00 -0.74 0.00 0.00 36.82 36.68 1a9x h ILE 2078CO -0.02 0.00 0.17 -0.08 0.00 0.00 0.00 178.15 178.22 1a9x h GLU 2079N -0.58 0.31 -0.13 2.37 4.81 -1.16 1.55 114.58 121.75 1a9x h GLU 2079Ca -0.05 -0.02 -0.21 0.00 -0.13 0.00 0.00 59.36 58.95 1a9x h GLU 2079Cb 0.45 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1a9x h GLU 2079CO 0.08 0.20 -0.75 -0.22 -0.73 0.00 0.00 179.01 177.60 1a9x h LYS 2080N 0.32 0.63 0.00 1.92 3.64 -0.95 -3.34 116.57 118.79 1a9x h LYS 2080Ca 0.32 -0.51 -0.06 0.00 -1.27 0.00 0.00 60.65 59.13 1a9x h LYS 2080Cb 0.46 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1a9x h LYS 2080CO -0.38 1.13 -1.63 0.39 -2.27 0.00 0.00 179.45 176.70 1a9x n GLU 2081N -3.90 0.64 -3.55 1.90 -0.58 0.35 -4.99 120.64 110.51 1a9x n GLU 2081Ca -0.06 -0.02 -0.24 0.00 -0.42 0.00 0.00 57.16 56.43 1a9x n GLU 2081Cb 0.73 -1.66 0.05 0.00 -0.57 0.00 0.00 31.44 29.98 1a9x n GLU 2081CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1a9x n ARG 2082N -2.53 -2.56 -2.33 3.49 5.12 0.52 -4.93 116.66 113.43 1a9x n ARG 2082Ca -0.06 0.63 -0.37 0.00 -1.93 0.00 0.00 57.85 56.12 1a9x n ARG 2082Cb 0.66 -4.95 -0.02 0.00 -1.16 0.00 0.00 32.46 26.99 1a9x n ARG 2082CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1a9x s PRO 2083N -5.47 3.81 0.13 5.56 0.04 -1.26 -4.91 135.00 132.89 1a9x s PRO 2083Ca 0.34 1.68 -0.03 0.00 0.04 0.00 0.00 61.00 63.04 1a9x s PRO 2083Cb -0.09 -2.38 -0.08 0.00 0.04 0.00 0.00 34.50 31.99 1a9x s PRO 2083CO 0.81 -0.49 1.31 -0.44 0.04 0.00 0.00 177.00 178.23 1a9x h ASP 2084N 2.03 0.47 -5.05 6.66 3.32 -1.66 -3.41 116.42 118.78 1a9x h ASP 2084Ca -0.49 -0.38 -0.15 0.00 0.02 0.00 0.00 57.03 56.03 1a9x h ASP 2084Cb 1.24 -0.14 -0.15 0.00 0.22 0.00 0.00 39.33 40.49 1a9x h ASP 2084CO 0.60 1.18 -0.69 0.00 -1.72 0.00 0.00 179.24 178.62 1a9x s ALA 2085N -3.23 0.62 -0.07 3.45 0.00 -1.05 0.20 121.76 121.68 1a9x s ALA 2085Ca -0.05 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 50.72 1a9x s ALA 2085Cb 0.09 0.23 0.01 0.00 0.00 0.00 0.00 23.12 23.45 1a9x s ALA 2085CO 0.86 -0.32 -0.14 0.54 0.00 0.00 0.00 175.76 176.71 1a9x s VAL 2086N -3.67 1.25 -0.36 0.00 0.11 0.61 0.01 120.40 118.36 1a9x s VAL 2086Ca 0.07 -0.54 -0.10 0.00 -2.93 0.00 0.00 61.98 58.48 1a9x s VAL 2086Cb 0.06 -1.14 0.03 0.00 -1.53 0.00 0.00 36.38 33.80 1a9x s VAL 2086CO -0.08 0.38 0.17 -0.22 -3.33 0.00 0.00 175.10 172.02 1a9x s LEU 2087N 0.66 4.53 0.00 2.54 2.96 -0.62 0.02 118.68 128.77 1a9x s LEU 2087Ca -0.14 -0.97 0.18 0.00 -0.22 0.00 0.00 54.13 52.98 1a9x s LEU 2087Cb -0.16 -1.98 0.51 0.00 0.50 0.00 0.00 46.19 45.06 1a9x s LEU 2087CO 0.04 -0.35 1.42 -0.81 -1.32 0.00 0.00 176.35 175.33 1a9x n PRO 2088N 4.95 2.72 -0.34 0.98 -0.04 -1.25 -3.18 135.00 138.83 1a9x n PRO 2088Ca -0.12 -2.40 0.10 0.00 -0.04 0.00 0.00 63.50 61.04 1a9x n PRO 2088Cb 0.46 -1.46 0.29 0.00 -0.04 0.00 0.00 33.50 32.75 1a9x n PRO 2088CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1a9x n THR 2089N 1.24 0.90 -0.52 0.52 -2.24 -1.26 -3.87 114.28 109.05 1a9x n THR 2089Ca 0.19 -0.87 0.05 0.00 -2.27 0.00 0.00 64.05 61.16 1a9x n THR 2089Cb 0.55 0.41 0.11 0.00 -2.10 0.00 0.00 70.33 69.30 1a9x n THR 2089CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1a9x n MET 2090N 1.37 2.42 -1.96 -0.78 2.81 -1.26 -1.61 117.12 118.10 1a9x n MET 2090Ca 0.22 -2.14 -0.02 0.00 -1.81 0.00 0.00 57.70 53.94 1a9x n MET 2090Cb 0.56 -1.33 0.06 0.00 -0.71 0.00 0.00 33.22 31.79 1a9x n MET 2090CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1a9x n GLY 2091N -0.63 2.84 7.00 3.03 0.00 -1.24 -4.08 105.19 112.10 1a9x n GLY 2091Ca 0.10 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.81 1a9x n GLY 2091CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 2092N -0.36 1.02 0.22 -0.02 0.00 -1.26 -2.13 105.19 102.66 1a9x n GLY 2092Ca 0.15 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.47 1a9x n GLY 2092CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1a9x h GLN 2093N 0.00 0.58 -0.56 1.61 5.75 -1.94 -2.77 115.11 117.78 1a9x h GLN 2093Ca 0.00 -0.37 0.11 0.00 -0.15 0.00 0.00 58.65 58.25 1a9x h GLN 2093Cb 0.00 0.04 -0.09 0.00 1.07 0.00 0.00 27.48 28.50 1a9x h GLN 2093CO 0.00 0.98 -0.00 1.15 -2.65 0.00 0.00 178.83 178.30 1a9x h THR 2094N 0.45 0.55 -0.49 2.39 2.02 -1.85 0.34 112.91 116.31 1a9x h THR 2094Ca 0.01 -0.04 -0.13 0.00 0.77 0.00 0.00 66.41 67.02 1a9x h THR 2094Cb 1.09 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 1a9x h THR 2094CO 0.10 0.02 -0.19 0.00 0.37 0.00 0.00 175.52 175.83 1a9x h ALA 2095N 1.51 0.72 -0.18 6.16 0.00 -1.36 -0.50 119.26 125.61 1a9x h ALA 2095Ca 0.29 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1a9x h ALA 2095Cb 0.45 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1a9x h ALA 2095CO -0.48 0.67 -0.00 -0.07 0.00 0.00 0.00 179.25 179.38 1a9x h LEU 2096N 0.86 0.31 0.01 0.00 3.38 -1.06 -2.12 115.31 116.69 1a9x h LEU 2096Ca 0.12 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.80 1a9x h LEU 2096Cb 0.76 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 1a9x h LEU 2096CO 0.06 0.54 -0.19 0.78 0.09 0.00 0.00 178.44 179.72 1a9x h ASN 2097N 0.06 -0.56 -0.90 -0.43 4.21 -0.21 -2.39 115.58 115.36 1a9x h ASN 2097Ca 0.05 0.08 0.02 0.00 1.21 0.00 0.00 56.30 57.66 1a9x h ASN 2097Cb 0.39 0.23 -0.05 0.00 -1.12 0.00 0.00 38.32 37.77 1a9x h ASN 2097CO 0.01 -0.26 0.60 0.00 -1.29 0.00 0.00 177.43 176.49 1a9x h ALA 2099N 1.45 1.06 0.00 0.00 0.00 -1.18 -1.76 119.26 118.83 1a9x h ALA 2099Ca 0.34 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1a9x h ALA 2099Cb -0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1a9x h ALA 2099CO -0.08 0.61 -0.55 -0.07 0.00 0.00 0.00 179.25 179.15 1a9x h LEU 2100N 0.88 0.00 -0.06 0.00 4.07 -0.93 -2.45 115.31 116.82 1a9x h LEU 2100Ca 0.18 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.98 1a9x h LEU 2100Cb 0.40 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.15 1a9x h LEU 2100CO 0.01 0.55 -0.59 -0.08 -1.08 0.00 0.00 178.44 177.25 1a9x h GLU 2101N 0.00 0.51 -0.42 1.13 4.57 -1.08 0.23 114.58 119.51 1a9x h GLU 2101Ca -0.01 -0.46 0.05 0.00 -1.18 0.00 0.00 59.36 57.76 1a9x h GLU 2101Cb 1.23 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.91 1a9x h GLU 2101CO 0.07 1.10 0.28 -0.07 -1.18 0.00 0.00 179.01 179.21 1a9x h LEU 2102N 0.08 0.33 0.04 1.64 3.38 -1.30 0.82 115.31 120.30 1a9x h LEU 2102Ca -0.06 -0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.73 1a9x h LEU 2102Cb 1.26 -0.07 0.02 0.00 0.09 0.00 0.00 40.66 41.95 1a9x h LEU 2102CO 0.12 0.22 -0.74 -0.08 0.09 0.00 0.00 178.44 178.05 1a9x h GLU 2103N 0.37 0.42 -0.52 1.13 4.57 -1.31 0.25 114.58 119.50 1a9x h GLU 2103Ca 0.18 -0.51 -0.06 0.00 -1.18 0.00 0.00 59.36 57.79 1a9x h GLU 2103Cb 0.25 0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.97 1a9x h GLU 2103CO -0.04 1.17 0.10 -0.09 -1.18 0.00 0.00 179.01 178.97 1a9x h ARG 2104N -0.10 0.86 0.00 1.92 2.43 0.10 -1.25 114.38 118.33 1a9x h ARG 2104Ca -0.10 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 1a9x h ARG 2104Cb 1.47 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.91 1a9x h ARG 2104CO 0.14 0.83 0.00 1.04 -1.51 0.00 0.00 179.97 180.48 1a9x n GLN 2105N -4.40 0.58 -1.39 0.20 1.13 0.28 -4.87 117.38 108.91 1a9x n GLN 2105Ca 0.02 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.94 1a9x n GLN 2105Cb 0.25 -1.49 -0.06 0.00 0.11 0.00 0.00 30.24 29.05 1a9x n GLN 2105CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1a9x n GLY 2106N 0.16 1.40 0.14 1.08 0.00 -0.47 -4.89 105.19 102.61 1a9x n GLY 2106Ca 0.14 -0.35 -0.03 0.00 0.00 0.00 0.00 46.02 45.78 1a9x n GLY 2106CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1a9x h VAL 2107N 0.00 1.44 -0.30 1.61 2.07 -0.74 -1.63 116.25 118.70 1a9x h VAL 2107Ca -0.27 -2.14 -0.12 0.00 0.82 0.00 0.00 66.70 64.98 1a9x h VAL 2107Cb 0.91 2.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.81 1a9x h VAL 2107CO 0.40 0.62 -0.27 -0.07 0.02 0.00 0.00 177.57 178.27 1a9x h LEU 2108N 0.06 0.76 0.48 2.57 3.38 -1.86 -1.17 115.31 119.53 1a9x h LEU 2108Ca -0.01 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 57.48 1a9x h LEU 2108Cb 1.14 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1a9x h LEU 2108CO 0.09 1.06 -0.25 -0.08 0.09 0.00 0.00 178.44 179.36 1a9x h GLU 2109N 0.47 -0.64 -0.81 1.13 4.81 -1.84 0.40 114.58 118.09 1a9x h GLU 2109Ca 0.05 0.04 0.19 0.00 -0.13 0.00 0.00 59.36 59.52 1a9x h GLU 2109Cb 0.84 0.15 -0.12 0.00 0.63 0.00 0.00 28.75 30.24 1a9x h GLU 2109CO 0.07 -0.43 0.24 1.49 -0.73 0.00 0.00 179.01 179.65 1a9x h GLU 2110N -0.67 0.28 -0.42 1.92 4.81 -1.25 -0.79 114.58 118.46 1a9x h GLU 2110Ca -0.06 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1a9x h GLU 2110Cb 0.52 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1a9x h GLU 2110CO 0.10 0.18 0.00 1.19 -0.73 0.00 0.00 179.01 179.75 1a9x n PHE 2111N -5.15 1.15 -3.67 0.92 3.01 -0.45 -4.95 117.46 108.33 1a9x n PHE 2111Ca 0.18 -0.71 -0.24 0.00 1.01 0.00 0.00 57.45 57.69 1a9x n PHE 2111Cb 0.56 -0.27 0.03 0.00 -0.01 0.00 0.00 39.48 39.79 1a9x n PHE 2111CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1a9x n GLY 2112N 0.28 -0.57 3.59 1.37 0.00 0.70 -4.87 105.19 105.68 1a9x n GLY 2112Ca 0.21 0.27 -0.39 0.00 0.00 0.00 0.00 46.02 46.12 1a9x n GLY 2112CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a9x s VAL 2113N -3.61 5.25 -0.21 1.61 1.01 0.11 -4.74 120.40 119.81 1a9x s VAL 2113Ca 0.18 0.30 -0.23 0.00 0.00 0.00 0.00 61.98 62.22 1a9x s VAL 2113Cb -0.05 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 1a9x s VAL 2113CO 0.82 0.18 0.76 -0.89 0.00 0.00 0.00 175.10 175.97 1a9x s THR 2114N 1.89 4.92 -0.41 3.92 2.01 0.55 -4.74 115.64 123.79 1a9x s THR 2114Ca 0.10 1.45 -0.29 0.00 0.31 0.00 0.00 61.69 63.26 1a9x s THR 2114Cb -0.16 -4.06 0.01 0.00 0.01 0.00 0.00 72.50 68.30 1a9x s THR 2114CO 0.11 0.02 1.29 -0.32 -0.69 0.00 0.00 174.62 175.03 1a9x s MET 2115N 2.31 3.71 0.35 4.92 1.75 -1.26 -0.28 119.30 130.79 1a9x s MET 2115Ca 0.34 0.89 0.08 0.00 -1.25 0.00 0.00 55.69 55.74 1a9x s MET 2115Cb -0.16 -3.95 -0.03 0.00 2.84 0.00 0.00 34.83 33.53 1a9x s MET 2115CO 0.10 -1.40 0.23 0.96 -0.65 0.00 0.00 175.02 174.26 1a9x s ILE 2116N 4.86 3.20 0.00 10.11 -4.36 0.10 -4.68 121.20 130.43 1a9x s ILE 2116Ca 0.56 -1.52 0.00 0.00 -0.26 0.00 0.00 60.65 59.42 1a9x s ILE 2116Cb -0.12 -3.07 0.00 0.00 1.25 0.00 0.00 42.46 40.52 1a9x s ILE 2116CO 0.30 -0.16 0.00 0.61 0.24 0.00 0.00 174.94 175.93 1a9x n GLY 2117N -1.28 2.06 3.04 6.27 0.00 -1.26 -3.84 105.19 110.18 1a9x n GLY 2117Ca -0.02 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 1a9x n GLY 2117CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x s ALA 2118N 0.00 -0.43 0.62 4.61 0.00 -1.26 -4.03 121.76 121.27 1a9x s ALA 2118Ca 0.00 0.54 -0.14 0.00 0.00 0.00 0.00 51.96 52.36 1a9x s ALA 2118Cb 0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 1a9x s ALA 2118CO 0.00 -0.10 1.05 0.95 0.00 0.00 0.00 175.76 177.66 1a9x s THR 2119N 0.25 4.06 0.28 0.00 -4.23 -1.26 -4.85 115.64 109.89 1a9x s THR 2119Ca -0.01 0.84 0.27 0.00 -1.18 0.00 0.00 61.69 61.61 1a9x s THR 2119Cb -0.03 -3.48 0.28 0.00 1.34 0.00 0.00 72.50 70.62 1a9x s THR 2119CO -0.01 -0.71 1.97 0.00 -0.54 0.00 0.00 174.62 175.33 1a9x h ALA 2120N 0.04 1.13 -0.24 3.99 0.00 -1.98 -1.98 119.26 120.21 1a9x h ALA 2120Ca -0.46 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.23 1a9x h ALA 2120Cb 1.21 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1a9x h ALA 2120CO 0.58 0.19 -0.16 0.22 0.00 0.00 0.00 179.25 180.08 1a9x h ASP 2121N 0.00 0.57 -0.47 0.00 3.58 -1.97 -1.91 116.42 116.21 1a9x h ASP 2121Ca -0.00 -0.44 0.05 0.00 0.42 0.00 0.00 57.03 57.06 1a9x h ASP 2121Cb 0.52 -0.16 -0.05 0.00 1.72 0.00 0.00 39.33 41.36 1a9x h ASP 2121CO 0.02 0.88 0.20 0.00 -2.88 0.00 0.00 179.24 177.47 1a9x h ALA 2122N 0.70 0.59 -0.70 -0.78 0.00 -1.64 0.22 119.26 117.65 1a9x h ALA 2122Ca 0.05 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1a9x h ALA 2122Cb 0.69 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 1a9x h ALA 2122CO 0.04 -0.17 0.41 0.82 0.00 0.00 0.00 179.25 180.36 1a9x h ILE 2123N 0.40 1.02 -0.41 0.00 2.04 -1.30 -0.67 117.51 118.59 1a9x h ILE 2123Ca 0.22 -0.27 -0.12 0.00 1.00 0.00 0.00 64.86 65.69 1a9x h ILE 2123Cb 0.18 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 1a9x h ILE 2123CO -0.19 0.14 -0.23 -0.78 0.00 0.00 0.00 178.15 177.10 1a9x h ASP 2124N 0.78 0.84 -0.44 1.72 3.58 -0.82 0.46 116.42 122.55 1a9x h ASP 2124Ca 0.30 -0.31 -0.02 0.00 0.42 0.00 0.00 57.03 57.42 1a9x h ASP 2124Cb 0.13 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.93 1a9x h ASP 2124CO -0.16 1.04 0.20 0.50 -2.88 0.00 0.00 179.24 177.95 1a9x h LYS 2125N 0.72 0.68 0.13 0.28 3.64 -0.24 0.19 116.57 121.96 1a9x h LYS 2125Ca 0.10 -0.09 -0.34 0.00 -1.27 0.00 0.00 60.65 59.05 1a9x h LYS 2125Cb 0.75 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 1a9x h LYS 2125CO 0.06 0.56 -1.76 0.00 -2.27 0.00 0.00 179.45 176.03 1a9x h ALA 2126N 1.55 0.35 0.00 5.00 0.00 -0.85 -3.03 119.26 122.28 1a9x h ALA 2126Ca 0.17 -1.25 -0.09 0.00 0.00 0.00 0.00 54.91 53.74 1a9x h ALA 2126Cb 0.12 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1a9x h ALA 2126CO -0.02 1.21 -0.47 0.93 0.00 0.00 0.00 179.25 180.91 1a9x h GLU 2127N 0.07 0.00 -5.93 0.00 4.39 -0.80 -3.42 114.58 108.90 1a9x h GLU 2127Ca -0.33 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 58.76 1a9x h GLU 2127Cb 2.05 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 30.58 1a9x h GLU 2127CO 0.13 0.40 0.53 0.34 -1.16 0.00 0.00 179.01 179.26 1a9x s ASP 2128N -6.37 6.40 0.53 1.42 -1.08 0.65 -0.86 116.67 117.35 1a9x s ASP 2128Ca 0.04 -0.18 0.25 0.00 -0.52 0.00 0.00 52.55 52.14 1a9x s ASP 2128Cb 0.07 -2.43 1.39 0.00 -1.46 0.00 0.00 42.92 40.49 1a9x s ASP 2128CO 0.74 -1.12 1.99 0.03 0.52 0.00 0.00 175.17 177.32 1a9x h ARG 2129N 9.19 0.01 0.09 4.34 3.08 -1.86 -0.55 114.38 128.68 1a9x h ARG 2129Ca -0.25 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.79 1a9x h ARG 2129Cb 1.08 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1a9x h ARG 2129CO 1.05 0.01 -0.04 -0.09 -1.07 0.00 0.00 179.97 179.82 1a9x h ARG 2130N 0.01 -0.12 -0.93 0.04 2.43 -1.94 -2.81 114.38 111.07 1a9x h ARG 2130Ca 0.27 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.46 1a9x h ARG 2130Cb 1.05 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.58 1a9x h ARG 2130CO -0.01 0.31 0.62 0.00 -1.51 0.00 0.00 179.97 179.38 1a9x h ARG 2131N -0.59 1.20 -0.14 0.20 3.08 -1.65 -1.83 114.38 114.65 1a9x h ARG 2131Ca -0.01 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 1a9x h ARG 2131Cb 0.48 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1a9x h ARG 2131CO 0.02 0.79 0.08 0.35 -1.07 0.00 0.00 179.97 180.14 1a9x h PHE 2132N 1.23 0.20 -0.72 3.04 3.57 -0.99 -0.94 116.94 122.33 1a9x h PHE 2132Ca 0.35 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 1a9x h PHE 2132Cb -0.09 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 1a9x h PHE 2132CO -0.00 0.22 0.41 0.22 -2.23 0.00 0.00 178.31 176.93 1a9x h ASP 2133N 0.13 0.88 -0.44 0.41 1.82 -1.27 0.85 116.42 118.80 1a9x h ASP 2133Ca 0.05 -0.06 -0.12 0.00 -0.39 0.00 0.00 57.03 56.51 1a9x h ASP 2133Cb 0.09 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 39.86 1a9x h ASP 2133CO -0.01 0.70 -0.19 0.58 -1.61 0.00 0.00 179.24 178.71 1a9x h VAL 2134N 1.00 1.27 -0.93 2.25 2.07 -1.04 -2.26 116.25 118.61 1a9x h VAL 2134Ca 0.26 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.44 1a9x h VAL 2134Cb 0.00 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 1a9x h VAL 2134CO -0.04 0.46 0.60 0.00 0.02 0.00 0.00 177.57 178.60 1a9x h ALA 2135N 0.84 1.18 -0.04 1.67 0.00 -0.32 -0.69 119.26 121.91 1a9x h ALA 2135Ca 0.10 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1a9x h ALA 2135Cb 0.76 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1a9x h ALA 2135CO 0.06 0.60 0.02 0.52 0.00 0.00 0.00 179.25 180.45 1a9x h MET 2136N 1.27 0.05 -0.28 0.00 2.07 -0.64 -1.85 114.93 115.56 1a9x h MET 2136Ca 0.34 -0.00 0.02 0.00 -2.07 0.00 0.00 59.70 57.99 1a9x h MET 2136Cb -0.12 -0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 29.59 1a9x h MET 2136CO -0.07 0.09 0.19 -0.22 1.07 0.00 0.00 176.91 177.96 1a9x h LYS 2137N 0.00 0.28 0.28 1.72 3.64 -0.96 -1.71 116.57 119.82 1a9x h LYS 2137Ca 0.01 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1a9x h LYS 2137Cb 0.05 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1a9x h LYS 2137CO -0.00 0.19 -0.16 -0.22 -2.27 0.00 0.00 179.45 176.98 1a9x h LYS 2138N 0.29 -0.41 0.00 1.90 3.64 -0.34 -2.63 116.57 119.03 1a9x h LYS 2138Ca 0.11 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1a9x h LYS 2138Cb 0.09 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1a9x h LYS 2138CO -0.02 -0.27 0.00 0.44 -2.27 0.00 0.00 179.45 177.32 1a9x n ILE 2139N -5.29 0.00 -1.13 2.00 -5.35 -0.86 -4.91 119.36 103.83 1a9x n ILE 2139Ca -0.09 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.36 1a9x n ILE 2139Cb 0.20 -0.42 -0.01 0.00 -1.74 0.00 0.00 39.64 37.67 1a9x n ILE 2139CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1a9x n GLY 2140N 0.83 0.55 3.88 3.28 0.00 -0.80 -5.04 105.19 107.90 1a9x n GLY 2140Ca 0.18 -0.96 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 1a9x n GLY 2140CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a9x s LEU 2141N -0.56 4.31 0.28 0.99 1.43 -0.71 -5.01 118.68 119.41 1a9x s LEU 2141Ca 0.00 0.70 -0.04 0.00 -1.03 0.00 0.00 54.13 53.76 1a9x s LEU 2141Cb 0.00 -3.13 -0.05 0.00 0.03 0.00 0.00 46.19 43.04 1a9x s LEU 2141CO 0.00 0.12 0.53 -0.70 0.23 0.00 0.00 176.35 176.52 1a9x s GLU 2142N -2.25 3.60 0.12 1.70 2.12 -1.26 -4.18 118.70 118.56 1a9x s GLU 2142Ca 0.37 -0.07 0.03 0.00 0.36 0.00 0.00 54.97 55.66 1a9x s GLU 2142Cb -0.13 -2.68 -0.04 0.00 0.26 0.00 0.00 34.13 31.54 1a9x s GLU 2142CO 0.21 0.23 -0.09 0.95 -0.54 0.00 0.00 175.26 176.02 1a9x s THR 2143N -2.07 0.97 0.68 -1.70 -4.23 -1.26 -0.22 115.64 107.80 1a9x s THR 2143Ca 0.43 -1.98 -0.15 0.00 -1.18 0.00 0.00 61.69 58.81 1a9x s THR 2143Cb -0.11 -1.75 0.01 0.00 1.34 0.00 0.00 72.50 72.00 1a9x s THR 2143CO 0.30 -0.78 1.13 0.00 -0.54 0.00 0.00 174.62 174.73 1a9x s ALA 2144N -3.37 2.38 0.18 3.99 0.00 -1.26 -4.90 121.76 118.78 1a9x s ALA 2144Ca 0.14 0.61 -0.32 0.00 0.00 0.00 0.00 51.96 52.39 1a9x s ALA 2144Cb 0.03 -3.35 -0.11 0.00 0.00 0.00 0.00 23.12 19.69 1a9x s ALA 2144CO -0.02 -1.42 1.66 0.50 0.00 0.00 0.00 175.76 176.49 1a9x s ARG 2145N -4.07 4.17 0.30 0.00 3.52 -1.26 -4.81 118.95 116.79 1a9x s ARG 2145Ca 0.68 2.49 -0.11 0.00 -0.13 0.00 0.00 55.73 58.67 1a9x s ARG 2145Cb -0.22 -3.15 0.01 0.00 -1.56 0.00 0.00 34.95 30.03 1a9x s ARG 2145CO 0.42 -0.69 0.53 -1.54 -0.81 0.00 0.00 175.30 173.21 1a9x s SER 2146N 1.26 0.20 -0.01 -2.12 1.04 -1.26 -0.66 113.70 112.15 1a9x s SER 2146Ca 0.73 -1.11 0.01 0.00 0.48 0.00 0.00 55.95 56.06 1a9x s SER 2146Cb -0.47 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1a9x s SER 2146CO 0.32 -1.28 -0.03 -0.83 0.98 0.00 0.00 173.24 172.40 1a9x s GLY 2147N -3.08 0.21 0.11 7.32 0.00 0.19 -4.94 107.32 107.12 1a9x s GLY 2147Ca 0.23 -0.11 -0.17 0.00 0.00 0.00 0.00 44.72 44.67 1a9x s GLY 2147CO 0.12 -0.01 0.57 -0.42 0.00 0.00 0.00 173.10 173.37 1a9x s ILE 2148N 0.11 4.77 -0.01 0.90 -1.09 -1.26 0.73 121.20 125.34 1a9x s ILE 2148Ca -0.01 1.07 -0.02 0.00 -2.23 0.00 0.00 60.65 59.47 1a9x s ILE 2148Cb -0.04 -3.83 0.00 0.00 -1.58 0.00 0.00 42.46 37.01 1a9x s ILE 2148CO -0.00 0.42 0.04 0.00 -1.23 0.00 0.00 174.94 174.16 1a9x s ALA 2149N -1.27 -0.10 -0.23 9.38 0.00 -0.25 -4.83 121.76 124.46 1a9x s ALA 2149Ca 0.33 0.09 0.03 0.00 0.00 0.00 0.00 51.96 52.42 1a9x s ALA 2149Cb -0.18 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 1a9x s ALA 2149CO 0.19 -0.03 0.26 0.72 0.00 0.00 0.00 175.76 176.90 1a9x n HIS 2150N 2.98 0.00 -4.07 0.00 8.25 -1.26 -1.52 115.22 119.61 1a9x n HIS 2150Ca -0.13 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.24 1a9x n HIS 2150Cb 0.59 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.62 1a9x n HIS 2150CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1a9x s THR 2151N -1.03 0.08 0.40 1.59 -4.23 -1.26 -4.92 115.64 106.27 1a9x s THR 2151Ca 0.02 -1.69 0.24 0.00 -1.18 0.00 0.00 61.69 59.08 1a9x s THR 2151Cb 0.03 -1.99 0.26 0.00 1.34 0.00 0.00 72.50 72.13 1a9x s THR 2151CO 0.11 -0.36 2.02 -0.03 -0.54 0.00 0.00 174.62 175.82 1a9x h MET 2152N 2.70 0.00 -0.08 3.99 4.05 -1.96 0.19 114.93 123.83 1a9x h MET 2152Ca -0.33 0.00 -0.14 0.00 -0.28 0.00 0.00 59.70 58.94 1a9x h MET 2152Cb 1.22 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 32.02 1a9x h MET 2152CO 0.54 0.16 -0.50 1.49 0.23 0.00 0.00 176.91 178.82 1a9x h GLU 2153N 0.00 0.47 -0.15 0.39 4.81 -1.99 -1.08 114.58 117.04 1a9x h GLU 2153Ca -0.00 -0.41 0.04 0.00 -0.13 0.00 0.00 59.36 58.86 1a9x h GLU 2153Cb 0.39 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 1a9x h GLU 2153CO 0.02 1.04 -0.07 0.93 -0.73 0.00 0.00 179.01 180.20 1a9x h GLU 2154N 0.04 -0.06 -0.12 1.92 5.08 -1.82 -1.95 114.58 117.66 1a9x h GLU 2154Ca -0.04 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1a9x h GLU 2154Cb 1.16 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.36 1a9x h GLU 2154CO 0.10 -0.04 -0.39 0.00 -1.00 0.00 0.00 179.01 177.68 1a9x h ALA 2155N 1.08 -0.54 -0.95 3.43 0.00 -0.49 -2.19 119.26 119.60 1a9x h ALA 2155Ca 0.08 -0.00 0.21 0.00 0.00 0.00 0.00 54.91 55.20 1a9x h ALA 2155Cb 0.18 0.73 -0.08 0.00 0.00 0.00 0.00 17.79 18.63 1a9x h ALA 2155CO -0.19 -0.89 0.62 -0.07 0.00 0.00 0.00 179.25 178.72 1a9x h LEU 2156N -0.47 0.47 -0.40 0.00 3.38 -0.90 0.16 115.31 117.55 1a9x h LEU 2156Ca 0.08 0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.93 1a9x h LEU 2156Cb 0.61 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1a9x h LEU 2156CO -0.38 0.17 -0.80 0.00 0.09 0.00 0.00 178.44 177.52 1a9x h ALA 2157N 1.61 0.65 -0.34 1.53 0.00 -0.73 -2.50 119.26 119.49 1a9x h ALA 2157Ca 0.51 -0.70 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1a9x h ALA 2157Cb 1.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1a9x h ALA 2157CO -0.22 0.92 0.03 0.28 0.00 0.00 0.00 179.25 180.26 1a9x h VAL 2158N 0.06 1.25 -0.22 0.00 2.07 -0.44 -2.45 116.25 116.51 1a9x h VAL 2158Ca -0.02 -0.89 0.06 0.00 0.82 0.00 0.00 66.70 66.67 1a9x h VAL 2158Cb 1.40 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 1a9x h VAL 2158CO 0.11 0.29 0.19 0.00 0.02 0.00 0.00 177.57 178.18 1a9x h ALA 2159N 0.88 2.03 0.00 1.67 0.00 -1.32 0.34 119.26 122.86 1a9x h ALA 2159Ca 0.10 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 1a9x h ALA 2159Cb 0.39 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1a9x h ALA 2159CO 0.01 -0.30 -0.83 0.00 0.00 0.00 0.00 179.25 178.13 1a9x h ALA 2160N 1.83 0.62 0.12 0.00 0.00 -1.07 -2.26 119.26 118.50 1a9x h ALA 2160Ca 0.10 -0.73 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 1a9x h ALA 2160Cb 0.48 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1a9x h ALA 2160CO -0.00 0.98 -0.06 0.22 0.00 0.00 0.00 179.25 180.39 1a9x h ASP 2161N 0.04 -0.14 1.75 0.00 3.58 -0.10 -3.38 116.42 118.16 1a9x h ASP 2161Ca -0.02 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.26 1a9x h ASP 2161Cb 1.45 0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.54 1a9x h ASP 2161CO 0.11 0.42 -0.12 -0.37 -2.88 0.00 0.00 179.24 176.40 1a9x h VAL 2162N -1.01 0.00 -0.23 2.25 -1.51 -0.62 -3.51 116.25 111.62 1a9x h VAL 2162Ca -0.02 -0.87 0.03 0.00 -1.23 0.00 0.00 66.70 64.61 1a9x h VAL 2162Cb 0.30 1.80 -0.01 0.00 -2.13 0.00 0.00 31.29 31.25 1a9x h VAL 2162CO 0.03 0.00 -0.05 0.61 -1.23 0.00 0.00 177.57 176.92 1a9x n GLY 2163N 1.16 -1.80 3.66 5.19 0.00 -0.85 -4.76 105.19 107.79 1a9x n GLY 2163Ca 0.04 -1.48 -0.33 0.00 0.00 0.00 0.00 46.02 44.24 1a9x n GLY 2163CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a9x s PHE 2164N -1.80 3.06 0.80 1.61 0.08 -1.26 -3.58 117.98 116.90 1a9x s PHE 2164Ca 0.00 0.10 -0.11 0.00 0.12 0.00 0.00 56.93 57.03 1a9x s PHE 2164Cb 0.00 -1.71 0.07 0.00 -0.57 0.00 0.00 43.02 40.81 1a9x s PHE 2164CO 0.00 0.43 1.10 -1.25 -0.10 0.00 0.00 175.22 175.40 1a9x s PRO 2165N -1.21 2.04 0.03 0.24 0.04 -1.26 -5.05 135.00 129.83 1a9x s PRO 2165Ca 0.16 0.65 -0.03 0.00 0.04 0.00 0.00 61.00 61.82 1a9x s PRO 2165Cb -0.11 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 1a9x s PRO 2165CO 0.06 -1.65 0.03 0.00 0.04 0.00 0.00 177.00 175.48 1a9x s ILE 2167N -2.27 4.72 -0.24 0.00 1.09 -0.12 -1.01 121.20 123.35 1a9x s ILE 2167Ca -0.08 -0.06 -0.08 0.00 -1.10 0.00 0.00 60.65 59.33 1a9x s ILE 2167Cb -0.04 -3.11 -0.03 0.00 -1.06 0.00 0.00 42.46 38.22 1a9x s ILE 2167CO -0.03 0.47 0.08 -0.63 -0.10 0.00 0.00 174.94 174.73 1a9x s ILE 2168N 0.28 4.51 -0.12 2.92 1.01 -0.66 -0.45 121.20 128.69 1a9x s ILE 2168Ca 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 60.65 60.56 1a9x s ILE 2168Cb -0.12 -3.10 0.03 0.00 0.01 0.00 0.00 42.46 39.28 1a9x s ILE 2168CO 0.00 0.34 -0.03 -0.13 0.00 0.00 0.00 174.94 175.13 1a9x s ARG 2169N 1.46 1.06 0.43 2.79 0.52 -0.12 -2.29 118.95 122.81 1a9x s ARG 2169Ca 0.06 -0.20 -0.22 0.00 -0.52 0.00 0.00 55.73 54.86 1a9x s ARG 2169Cb -0.15 -1.51 -0.10 0.00 0.52 0.00 0.00 34.95 33.70 1a9x s ARG 2169CO 0.04 -0.36 0.97 -2.14 0.02 0.00 0.00 175.30 173.83 1a9x s PRO 2170N 1.81 4.20 0.50 3.54 0.02 -1.26 0.11 135.00 143.91 1a9x s PRO 2170Ca 0.03 1.19 -0.19 0.00 0.02 0.00 0.00 61.00 62.06 1a9x s PRO 2170Cb -0.14 -2.24 -0.08 0.00 0.02 0.00 0.00 34.50 32.06 1a9x s PRO 2170CO -0.07 -0.06 1.01 -1.12 -0.33 0.00 0.00 177.00 176.43 1a9x s SER 2171N -2.07 6.44 -1.81 2.53 0.01 0.05 -3.86 113.70 115.01 1a9x s SER 2171Ca 0.61 1.78 0.00 0.00 1.31 0.00 0.00 55.95 59.66 1a9x s SER 2171Cb -0.12 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.57 1a9x s SER 2171CO 0.16 -0.71 0.00 0.49 0.41 0.00 0.00 173.24 173.59 1a9x n PHE 2172N -1.18 -0.88 -4.33 2.43 3.72 -0.04 -4.10 117.46 113.07 1a9x n PHE 2172Ca 0.08 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.31 1a9x n PHE 2172Cb 0.53 -3.89 -0.10 0.00 -0.94 0.00 0.00 39.48 35.08 1a9x n PHE 2172CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1a9x s THR 2173N -3.00 0.95 0.32 4.37 -4.23 -1.25 -4.48 115.64 108.31 1a9x s THR 2173Ca 0.00 -2.02 -0.08 0.00 -1.18 0.00 0.00 61.69 58.41 1a9x s THR 2173Cb 0.00 -2.40 0.01 0.00 1.34 0.00 0.00 72.50 71.45 1a9x s THR 2173CO 0.00 -0.27 0.52 0.00 -0.54 0.00 0.00 174.62 174.33 1a9x s MET 2174N -3.89 1.83 -0.23 3.99 0.23 -1.26 -4.86 119.30 115.10 1a9x s MET 2174Ca 0.30 -1.55 0.00 0.00 -1.03 0.00 0.00 55.69 53.41 1a9x s MET 2174Cb 0.06 0.48 0.00 0.00 -1.53 0.00 0.00 34.83 33.84 1a9x s MET 2174CO 0.10 -0.78 0.00 0.41 -2.03 0.00 0.00 175.02 172.72 1a9x n GLY 2175N -0.50 0.36 2.29 3.16 0.00 -1.26 -1.24 105.19 108.00 1a9x n GLY 2175Ca -0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 46.02 45.94 1a9x n GLY 2175CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 2176N -0.39 0.50 3.67 -0.02 0.00 -1.25 -0.79 105.19 106.90 1a9x n GLY 2176Ca -0.02 -0.21 -0.47 0.00 0.00 0.00 0.00 46.02 45.31 1a9x n GLY 2176CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a9x n SER 2177N 0.03 3.24 0.00 1.61 7.64 -0.38 -1.07 113.62 124.69 1a9x n SER 2177Ca -0.02 1.03 0.00 0.00 1.01 0.00 0.00 58.87 60.89 1a9x n SER 2177Cb 0.18 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 61.99 1a9x n SER 2177CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a9x n GLY 2178N 3.91 1.30 1.05 0.23 0.00 -1.26 -4.67 105.19 105.75 1a9x n GLY 2178Ca 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.15 1a9x n GLY 2178CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 2179N -2.00 2.84 0.00 -0.02 0.00 -0.23 -3.07 105.19 102.71 1a9x n GLY 2179Ca 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.82 1a9x n GLY 2179CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 2180N 3.17 -2.06 3.45 -0.02 0.00 -0.97 -4.54 105.19 104.21 1a9x n GLY 2180Ca 0.00 -1.21 -0.33 0.00 0.00 0.00 0.00 46.02 44.48 1a9x n GLY 2180CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a9x s ILE 2181N -2.43 3.24 -0.14 -0.61 1.01 -1.26 -1.65 121.20 119.35 1a9x s ILE 2181Ca 0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 60.65 59.99 1a9x s ILE 2181Cb 0.00 -2.34 -0.03 0.00 0.01 0.00 0.00 42.46 40.10 1a9x s ILE 2181CO 0.00 0.55 -0.02 0.00 0.00 0.00 0.00 174.94 175.47 1a9x s ALA 2182N -0.13 3.08 -1.02 9.38 0.00 -0.18 -4.92 121.76 127.97 1a9x s ALA 2182Ca -0.00 -0.81 0.22 0.00 0.00 0.00 0.00 51.96 51.36 1a9x s ALA 2182Cb -0.13 -1.57 -0.14 0.00 0.00 0.00 0.00 23.12 21.28 1a9x s ALA 2182CO 0.03 0.28 0.97 0.66 0.00 0.00 0.00 175.76 177.70 1a9x n TYR 2183N 3.28 0.00 -3.85 0.00 4.01 -1.26 -2.44 117.16 116.89 1a9x n TYR 2183Ca -0.17 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.49 1a9x n TYR 2183Cb 0.53 -0.03 -0.03 0.00 -0.31 0.00 0.00 39.34 39.50 1a9x n TYR 2183CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1a9x s ASN 2184N -2.99 -0.25 0.26 7.72 2.20 -1.26 -4.79 114.94 115.82 1a9x s ASN 2184Ca 0.09 -0.62 -0.02 0.00 -0.94 0.00 0.00 52.86 51.37 1a9x s ASN 2184Cb 0.16 0.70 0.51 0.00 -2.00 0.00 0.00 41.25 40.62 1a9x s ASN 2184CO 0.84 -1.29 1.75 -0.09 -2.94 0.00 0.00 177.10 175.37 1a9x h ARG 2185N 2.04 0.55 -0.02 3.55 2.43 -1.97 0.12 114.38 121.08 1a9x h ARG 2185Ca -0.21 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1a9x h ARG 2185Cb 1.25 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1a9x h ARG 2185CO 0.26 0.36 0.00 1.49 -1.51 0.00 0.00 179.97 180.57 1a9x h GLU 2186N 0.56 0.01 -0.33 0.20 4.81 -1.99 0.27 114.58 118.11 1a9x h GLU 2186Ca 0.45 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.66 1a9x h GLU 2186Cb 0.65 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 1a9x h GLU 2186CO -0.38 0.01 0.15 0.93 -0.73 0.00 0.00 179.01 179.00 1a9x h GLU 2187N 0.01 0.48 -0.17 1.92 5.08 -1.68 -1.93 114.58 118.29 1a9x h GLU 2187Ca 0.01 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1a9x h GLU 2187Cb 0.01 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.11 1a9x h GLU 2187CO -0.01 0.45 -0.32 0.35 -1.00 0.00 0.00 179.01 178.47 1a9x h PHE 2188N 0.39 -0.88 -0.38 4.33 3.57 -0.43 0.10 116.94 123.64 1a9x h PHE 2188Ca 0.11 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 1a9x h PHE 2188Cb 0.13 0.41 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 1a9x h PHE 2188CO -0.01 -0.39 0.03 0.93 -2.23 0.00 0.00 178.31 176.63 1a9x h GLU 2189N -0.37 0.58 -0.47 1.11 5.08 -0.34 -1.56 114.58 118.62 1a9x h GLU 2189Ca 0.11 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1a9x h GLU 2189Cb 0.54 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1a9x h GLU 2189CO -0.38 0.59 0.19 1.49 -1.00 0.00 0.00 179.01 179.90 1a9x h GLU 2190N 0.56 0.70 -0.31 2.33 4.81 -0.36 -1.80 114.58 120.51 1a9x h GLU 2190Ca 0.12 -0.13 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1a9x h GLU 2190Cb 0.32 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1a9x h GLU 2190CO 0.01 0.63 -0.15 0.82 -0.73 0.00 0.00 179.01 179.59 1a9x h ILE 2191N 0.61 1.29 -0.55 2.32 2.04 -0.64 -2.96 117.51 119.62 1a9x h ILE 2191Ca 0.16 -1.25 -0.02 0.00 1.00 0.00 0.00 64.86 64.75 1a9x h ILE 2191Cb 0.19 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 1a9x h ILE 2191CO -0.01 0.40 0.26 0.00 0.00 0.00 0.00 178.15 178.80 1a9x h ALA 2193N 1.10 0.58 -0.05 0.00 0.00 -1.32 0.24 119.26 119.81 1a9x h ALA 2193Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1a9x h ALA 2193Cb 0.12 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1a9x h ALA 2193CO -0.02 -0.08 0.03 -0.09 0.00 0.00 0.00 179.25 179.10 1a9x h ARG 2194N 0.51 0.07 -0.30 0.00 2.43 -1.34 -1.96 114.38 113.79 1a9x h ARG 2194Ca 0.19 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.24 1a9x h ARG 2194Cb 0.06 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1a9x h ARG 2194CO -0.11 0.07 -0.30 0.78 -1.51 0.00 0.00 179.97 178.91 1a9x h GLY 2195N 0.05 0.69 0.95 2.80 0.00 -0.26 -0.18 103.07 107.11 1a9x h GLY 2195Ca 0.02 -0.61 -0.03 0.00 0.00 0.00 0.00 47.33 46.71 1a9x h GLY 2195CO -0.00 0.56 0.15 1.41 0.00 0.00 0.00 176.54 178.66 1a9x h LEU 2196N 0.54 0.59 -0.89 3.11 3.38 -0.42 0.10 115.31 121.73 1a9x h LEU 2196Ca 0.07 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 1a9x h LEU 2196Cb 0.78 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1a9x h LEU 2196CO 0.06 0.62 -0.41 -0.78 0.09 0.00 0.00 178.44 178.02 1a9x h ASP 2197N 0.54 0.00 0.53 -0.43 3.58 -1.21 -3.25 116.42 116.18 1a9x h ASP 2197Ca 0.14 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.30 1a9x h ASP 2197Cb 0.22 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.23 1a9x h ASP 2197CO -0.01 0.41 -1.59 0.25 -2.88 0.00 0.00 179.24 175.42 1a9x h LEU 2198N 0.00 0.12 -9.72 2.28 5.85 -0.47 -3.46 115.31 109.90 1a9x h LEU 2198Ca -0.00 -0.20 -0.55 0.00 0.84 0.00 0.00 57.88 57.96 1a9x h LEU 2198Cb 0.94 -0.04 0.08 0.00 0.37 0.00 0.00 40.66 42.01 1a9x h LEU 2198CO 0.05 1.18 0.78 -0.24 -0.34 0.00 0.00 178.44 179.87 1a9x n SER 2199N -3.22 3.45 0.08 1.25 2.88 0.30 -4.84 113.62 113.53 1a9x n SER 2199Ca -0.16 1.15 0.10 0.00 -1.33 0.00 0.00 58.87 58.63 1a9x n SER 2199Cb 1.03 -1.53 0.42 0.00 -0.75 0.00 0.00 64.21 63.38 1a9x n SER 2199CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1a9x n PRO 2200N 2.07 0.12 -0.07 -1.46 -0.02 -1.26 -2.02 135.00 132.36 1a9x n PRO 2200Ca 0.09 0.34 0.02 0.00 -2.02 0.00 0.00 63.50 61.94 1a9x n PRO 2200Cb 0.35 -1.72 0.06 0.00 -0.02 0.00 0.00 33.50 32.18 1a9x n PRO 2200CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1a9x n THR 2201N -1.93 1.06 -3.82 3.45 -2.24 -1.26 -4.98 114.28 104.56 1a9x n THR 2201Ca 0.03 -1.07 -0.27 0.00 -2.27 0.00 0.00 64.05 60.47 1a9x n THR 2201Cb 0.21 0.46 0.01 0.00 -2.10 0.00 0.00 70.33 68.91 1a9x n THR 2201CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1a9x n LYS 2202N -0.19 -2.81 -3.95 -0.78 4.81 -0.86 -4.97 118.16 109.41 1a9x n LYS 2202Ca 0.05 0.46 -0.10 0.00 -0.87 0.00 0.00 58.31 57.85 1a9x n LYS 2202Cb 0.34 -4.48 -0.12 0.00 0.02 0.00 0.00 35.03 30.79 1a9x n LYS 2202CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1a9x s GLU 2203N -6.26 0.22 0.05 1.64 2.12 -1.26 -4.64 118.70 110.57 1a9x s GLU 2203Ca 0.17 -0.42 0.08 0.00 0.36 0.00 0.00 54.97 55.16 1a9x s GLU 2203Cb -0.06 0.08 -0.03 0.00 0.26 0.00 0.00 34.13 34.38 1a9x s GLU 2203CO 0.87 -0.04 -0.22 -0.51 -0.54 0.00 0.00 175.26 174.82 1a9x s LEU 2204N -1.02 2.18 -0.16 2.70 1.43 -0.57 -0.77 118.68 122.48 1a9x s LEU 2204Ca -0.11 -0.56 -0.02 0.00 -1.03 0.00 0.00 54.13 52.41 1a9x s LEU 2204Cb -0.07 -1.06 -0.02 0.00 0.03 0.00 0.00 46.19 45.07 1a9x s LEU 2204CO -0.01 0.18 -0.07 -0.22 0.23 0.00 0.00 176.35 176.46 1a9x s LEU 2205N -1.26 3.00 -0.17 1.79 2.96 0.30 -1.09 118.68 124.21 1a9x s LEU 2205Ca 0.09 -0.24 -0.00 0.00 -0.22 0.00 0.00 54.13 53.75 1a9x s LEU 2205Cb -0.09 -1.71 -0.00 0.00 0.50 0.00 0.00 46.19 44.88 1a9x s LEU 2205CO 0.02 0.14 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.42 1a9x s ILE 2206N 0.54 2.74 0.12 6.68 1.01 0.22 -0.94 121.20 131.56 1a9x s ILE 2206Ca -0.05 -0.74 0.09 0.00 0.00 0.00 0.00 60.65 59.95 1a9x s ILE 2206Cb -0.15 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.11 1a9x s ILE 2206CO 0.03 0.50 -0.22 -1.81 0.00 0.00 0.00 174.94 173.45 1a9x s ASP 2207N 0.95 2.77 0.75 3.58 1.11 0.41 0.54 116.67 126.78 1a9x s ASP 2207Ca -0.02 -0.74 -0.14 0.00 0.18 0.00 0.00 52.55 51.83 1a9x s ASP 2207Cb -0.15 -0.17 0.05 0.00 1.07 0.00 0.00 42.92 43.73 1a9x s ASP 2207CO -0.02 0.07 1.16 -1.83 1.18 0.00 0.00 175.17 175.73 1a9x s GLU 2208N -2.14 2.10 0.28 8.23 -1.05 0.16 -0.95 118.70 125.34 1a9x s GLU 2208Ca 0.10 1.57 -0.29 0.00 -0.15 0.00 0.00 54.97 56.20 1a9x s GLU 2208Cb -0.09 -1.85 -0.10 0.00 -0.44 0.00 0.00 34.13 31.65 1a9x s GLU 2208CO 0.05 -1.82 1.14 0.45 0.95 0.00 0.00 175.26 176.03 1a9x s SER 2209N -2.42 7.18 -0.06 0.83 0.15 -1.23 -4.64 113.70 113.51 1a9x s SER 2209Ca 0.70 2.33 0.08 0.00 0.70 0.00 0.00 55.95 59.76 1a9x s SER 2209Cb -0.25 -2.63 0.13 0.00 -1.71 0.00 0.00 66.02 61.56 1a9x s SER 2209CO 0.48 -0.22 1.03 0.18 1.20 0.00 0.00 173.24 175.91 1a9x n LEU 2210N 1.24 1.19 -4.56 3.45 4.77 -1.26 -5.07 117.00 116.75 1a9x n LEU 2210Ca -0.01 -1.94 -0.53 0.00 -0.03 0.00 0.00 56.01 53.51 1a9x n LEU 2210Cb 0.44 -0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.28 1a9x n LEU 2210CO 0.55 0.46 0.78 -0.38 -1.33 0.00 0.00 177.39 177.47 1a9x n ILE 2211N -0.68 0.18 0.00 -0.08 5.41 -1.26 -0.68 119.36 122.25 1a9x n ILE 2211Ca 0.07 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.78 1a9x n ILE 2211Cb 0.63 -0.63 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1a9x n ILE 2211CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1a9x n GLY 2212N 2.21 3.32 3.73 7.39 0.00 -0.72 -4.93 105.19 116.19 1a9x n GLY 2212Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 1a9x n GLY 2212CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1a9x s TRP 2213N -2.46 2.24 0.39 1.61 0.52 0.14 -4.60 118.94 116.78 1a9x s TRP 2213Ca 0.00 0.89 -0.24 0.00 0.02 0.00 0.00 56.10 56.77 1a9x s TRP 2213Cb 0.00 -3.34 -0.10 0.00 -1.15 0.00 0.00 33.47 28.88 1a9x s TRP 2213CO 0.00 -2.69 0.98 0.15 0.02 0.00 0.00 176.95 175.41 1a9x s LYS 2214N -5.14 4.31 -0.14 4.98 1.02 0.64 -1.17 119.74 124.24 1a9x s LYS 2214Ca 0.65 1.32 0.01 0.00 0.02 0.00 0.00 55.97 57.96 1a9x s LYS 2214Cb -0.16 -2.49 -0.01 0.00 -0.52 0.00 0.00 37.83 34.65 1a9x s LYS 2214CO 0.55 0.02 -0.16 -2.00 -0.92 0.00 0.00 175.35 172.85 1a9x s GLU 2215N -2.60 3.25 0.21 1.68 2.12 -1.26 -0.55 118.70 121.56 1a9x s GLU 2215Ca 0.57 -0.74 0.06 0.00 0.36 0.00 0.00 54.97 55.21 1a9x s GLU 2215Cb -0.17 -2.58 -0.05 0.00 0.26 0.00 0.00 34.13 31.59 1a9x s GLU 2215CO 0.21 0.11 -0.08 0.71 -0.54 0.00 0.00 175.26 175.67 1a9x s TYR 2216N 0.58 1.62 -0.13 5.30 1.51 -0.36 -0.85 117.35 125.02 1a9x s TYR 2216Ca -0.09 -0.72 -0.12 0.00 -1.01 0.00 0.00 57.07 55.12 1a9x s TYR 2216Cb -0.16 -0.85 0.03 0.00 -0.11 0.00 0.00 41.96 40.87 1a9x s TYR 2216CO 0.03 0.19 0.34 -1.21 -1.11 0.00 0.00 175.55 173.80 1a9x s GLU 2217N -3.74 0.41 -0.06 -0.62 2.02 -0.87 -0.89 118.70 114.95 1a9x s GLU 2217Ca 0.24 0.47 0.04 0.00 0.02 0.00 0.00 54.97 55.74 1a9x s GLU 2217Cb 0.02 0.20 -0.00 0.00 0.10 0.00 0.00 34.13 34.45 1a9x s GLU 2217CO 0.07 -0.05 -0.19 -1.64 0.02 0.00 0.00 175.26 173.47 1a9x s MET 2218N 0.16 2.12 -0.31 1.61 -1.94 0.20 -1.08 119.30 120.06 1a9x s MET 2218Ca -0.00 -0.68 -0.13 0.00 -1.71 0.00 0.00 55.69 53.16 1a9x s MET 2218Cb -0.02 -1.77 -0.03 0.00 2.01 0.00 0.00 34.83 35.02 1a9x s MET 2218CO 0.01 0.23 0.28 -1.21 -0.01 0.00 0.00 175.02 174.32 1a9x s GLU 2219N 0.13 3.74 0.12 2.03 0.41 -0.23 -1.25 118.70 123.65 1a9x s GLU 2219Ca -0.08 -0.37 0.10 0.00 -0.41 0.00 0.00 54.97 54.21 1a9x s GLU 2219Cb -0.14 -3.74 -0.04 0.00 -1.78 0.00 0.00 34.13 28.44 1a9x s GLU 2219CO 0.04 -0.36 -0.21 0.08 -0.49 0.00 0.00 175.26 174.32 1a9x s VAL 2220N 1.88 2.66 -0.02 2.63 1.01 -0.42 -0.24 120.40 127.90 1a9x s VAL 2220Ca 0.09 -1.60 0.01 0.00 0.00 0.00 0.00 61.98 60.49 1a9x s VAL 2220Cb -0.16 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 34.01 1a9x s VAL 2220CO 0.11 0.09 -0.04 -0.69 0.00 0.00 0.00 175.10 174.57 1a9x s VAL 2221N -1.15 0.35 0.02 2.92 1.01 -0.27 -1.19 120.40 122.09 1a9x s VAL 2221Ca 0.17 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.06 1a9x s VAL 2221Cb -0.10 -0.34 -0.01 0.00 0.00 0.00 0.00 36.38 35.92 1a9x s VAL 2221CO 0.09 0.13 -0.10 -0.60 0.00 0.00 0.00 175.10 174.62 1a9x s ARG 2222N 0.30 0.73 0.43 2.72 3.52 -0.32 -1.24 118.95 125.10 1a9x s ARG 2222Ca -0.03 -0.53 0.07 0.00 -0.13 0.00 0.00 55.73 55.11 1a9x s ARG 2222Cb -0.06 -0.68 -0.04 0.00 -1.56 0.00 0.00 34.95 32.61 1a9x s ARG 2222CO -0.00 0.17 0.22 0.16 -0.81 0.00 0.00 175.30 175.04 1a9x s ASP 2223N -0.74 4.51 0.02 -2.12 1.47 -0.52 -1.52 116.67 117.77 1a9x s ASP 2223Ca 0.00 -1.09 0.06 0.00 1.18 0.00 0.00 52.55 52.71 1a9x s ASP 2223Cb -0.06 -0.33 0.28 0.00 -0.34 0.00 0.00 42.92 42.47 1a9x s ASP 2223CO 0.00 -0.64 1.20 2.29 0.68 0.00 0.00 175.17 178.70 1a9x n LYS 2224N -1.34 0.01 -0.28 2.11 2.85 -0.85 -0.74 118.16 119.92 1a9x n LYS 2224Ca -0.01 0.42 0.11 0.00 -1.05 0.00 0.00 58.31 57.77 1a9x n LYS 2224Cb 0.64 -1.53 0.28 0.00 -0.65 0.00 0.00 35.03 33.77 1a9x n LYS 2224CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1a9x n ASN 2225N -1.55 3.37 0.00 -5.58 3.02 -1.26 -4.92 115.26 108.34 1a9x n ASN 2225Ca 0.01 -1.98 0.00 0.00 -0.03 0.00 0.00 54.58 52.58 1a9x n ASN 2225Cb 0.07 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 38.87 1a9x n ASN 2225CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1a9x n ASP 2226N 1.37 -1.67 -4.72 6.41 2.03 0.08 -4.99 116.55 115.05 1a9x n ASP 2226Ca 0.21 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 55.10 1a9x n ASP 2226Cb 0.55 -0.54 -0.03 0.00 -0.72 0.00 0.00 41.12 40.39 1a9x n ASP 2226CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1a9x s ASN 2227N -2.44 6.78 -0.02 1.67 0.01 -1.25 -4.82 114.94 114.87 1a9x s ASN 2227Ca 0.00 2.40 0.01 0.00 -0.71 0.00 0.00 52.86 54.56 1a9x s ASN 2227Cb 0.00 -2.59 0.01 0.00 0.41 0.00 0.00 41.25 39.08 1a9x s ASN 2227CO 0.00 -0.67 -0.03 0.00 -1.51 0.00 0.00 177.10 174.88 1a9x s ILE 2229N 0.44 0.58 -0.37 0.00 -4.36 -0.37 -4.98 121.20 112.13 1a9x s ILE 2229Ca -0.05 -1.36 -0.16 0.00 -0.26 0.00 0.00 60.65 58.81 1a9x s ILE 2229Cb -0.08 -0.96 0.00 0.00 1.25 0.00 0.00 42.46 42.67 1a9x s ILE 2229CO -0.01 -0.55 0.42 -0.63 0.24 0.00 0.00 174.94 174.41 1a9x s ILE 2230N -2.14 5.11 0.08 8.37 -1.09 -1.26 -1.12 121.20 129.15 1a9x s ILE 2230Ca -0.03 -0.04 0.03 0.00 -2.23 0.00 0.00 60.65 58.38 1a9x s ILE 2230Cb -0.05 -3.93 -0.24 0.00 -1.58 0.00 0.00 42.46 36.66 1a9x s ILE 2230CO -0.01 -0.24 1.15 0.58 -1.23 0.00 0.00 174.94 175.19 1a9x h VAL 2231N 5.62 1.53 -1.70 2.92 2.07 -0.96 -3.37 116.25 122.36 1a9x h VAL 2231Ca -0.28 -3.20 0.08 0.00 0.82 0.00 0.00 66.70 64.12 1a9x h VAL 2231Cb 1.13 2.84 -0.21 0.00 -1.52 0.00 0.00 31.29 33.52 1a9x h VAL 2231CO 0.74 0.90 0.52 0.00 0.02 0.00 0.00 177.57 179.75 1a9x s SER 2233N -1.34 3.12 -0.05 0.00 1.04 -1.26 -1.07 113.70 114.14 1a9x s SER 2233Ca -0.01 -0.69 -0.03 0.00 0.48 0.00 0.00 55.95 55.69 1a9x s SER 2233Cb -0.01 -0.22 0.02 0.00 0.10 0.00 0.00 66.02 65.92 1a9x s SER 2233CO 0.00 0.18 0.12 -0.63 0.98 0.00 0.00 173.24 173.89 1a9x s ILE 2234N -1.01 -0.03 -0.12 -1.02 1.01 -0.24 -3.71 121.20 116.09 1a9x s ILE 2234Ca 0.12 0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.87 1a9x s ILE 2234Cb -0.10 -0.19 -0.01 0.00 0.01 0.00 0.00 42.46 42.17 1a9x s ILE 2234CO 0.05 0.04 -0.15 -0.70 0.00 0.00 0.00 174.94 174.18 1a9x s GLU 2235N 0.62 3.23 0.20 2.79 2.12 0.78 -2.04 118.70 126.39 1a9x s GLU 2235Ca -0.05 -0.71 -0.30 0.00 0.36 0.00 0.00 54.97 54.27 1a9x s GLU 2235Cb -0.06 -2.55 -0.08 0.00 0.26 0.00 0.00 34.13 31.69 1a9x s GLU 2235CO -0.03 0.26 0.98 -0.80 -0.54 0.00 0.00 175.26 175.13 1a9x s ASN 2236N 0.21 7.53 -0.04 -1.70 0.02 -0.03 -0.49 114.94 120.43 1a9x s ASN 2236Ca -0.09 1.95 -0.23 0.00 -1.02 0.00 0.00 52.86 53.46 1a9x s ASN 2236Cb -0.15 -2.60 -0.18 0.00 0.02 0.00 0.00 41.25 38.33 1a9x s ASN 2236CO 0.05 0.02 1.02 0.15 0.02 0.00 0.00 177.10 178.37 1a9x h PHE 2237N 4.65 -0.16 -3.33 2.20 3.04 -0.57 -3.43 116.94 119.35 1a9x h PHE 2237Ca -0.44 -0.00 -0.52 0.00 3.98 0.00 0.00 57.97 60.98 1a9x h PHE 2237Cb 1.21 0.05 0.03 0.00 2.56 0.00 0.00 35.95 39.80 1a9x h PHE 2237CO 0.62 0.31 0.67 -0.51 -2.02 0.00 0.00 178.31 177.38 1a9x s ASP 2238N -5.52 6.87 1.09 0.41 1.01 -1.20 -4.48 116.67 114.84 1a9x s ASP 2238Ca -0.14 2.41 -0.17 0.00 0.71 0.00 0.00 52.55 55.36 1a9x s ASP 2238Cb 0.01 -2.61 0.23 0.00 1.01 0.00 0.00 42.92 41.57 1a9x s ASP 2238CO 0.55 -0.56 1.15 0.00 0.21 0.00 0.00 175.17 176.52 1a9x s ALA 2239N 0.26 1.13 0.33 5.23 0.00 -1.26 -4.66 121.76 122.78 1a9x s ALA 2239Ca 0.58 -0.85 -0.27 0.00 0.00 0.00 0.00 51.96 51.42 1a9x s ALA 2239Cb -0.37 -2.92 -0.13 0.00 0.00 0.00 0.00 23.12 19.70 1a9x s ALA 2239CO 0.37 -3.08 1.06 -1.33 0.00 0.00 0.00 175.76 172.79 1a9x n MET 2240N -4.35 1.50 0.00 0.00 2.81 -0.32 -2.69 117.12 114.08 1a9x n MET 2240Ca 0.11 0.53 0.00 0.00 -1.81 0.00 0.00 57.70 56.53 1a9x n MET 2240Cb 0.59 -1.98 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 1a9x n MET 2240CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1a9x n GLY 2241N 1.13 1.53 3.03 3.03 0.00 -1.26 -1.76 105.19 110.89 1a9x n GLY 2241Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1a9x n GLY 2241CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a9x s ILE 2242N -2.15 1.69 0.26 -0.61 1.01 -1.10 -3.54 121.20 116.76 1a9x s ILE 2242Ca 0.00 -0.78 -0.29 0.00 0.00 0.00 0.00 60.65 59.58 1a9x s ILE 2242Cb 0.00 -1.61 -0.14 0.00 0.01 0.00 0.00 42.46 40.72 1a9x s ILE 2242CO 0.00 0.41 1.00 1.57 0.00 0.00 0.00 174.94 177.92 1a9x n HIS 2243N 4.72 1.16 -0.34 3.97 -0.00 -0.79 -4.70 115.22 119.24 1a9x n HIS 2243Ca -0.17 0.72 0.18 0.00 -0.00 0.00 0.00 57.72 58.44 1a9x n HIS 2243Cb 0.49 -2.24 0.40 0.00 -0.00 0.00 0.00 29.99 28.65 1a9x n HIS 2243CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 1a9x h THR 2244N 2.04 0.57 0.00 3.57 1.35 -1.93 0.81 112.91 119.32 1a9x h THR 2244Ca -0.39 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 1a9x h THR 2244Cb 1.35 -0.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1a9x h THR 2244CO 0.62 0.10 0.00 0.61 -0.25 0.00 0.00 175.52 176.60 1a9x n GLY 2245N -1.35 -1.45 0.89 5.82 0.00 -1.26 -2.26 105.19 105.57 1a9x n GLY 2245Ca 0.26 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.34 1a9x n GLY 2245CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a9x n ASP 2246N -1.90 2.95 -4.94 1.61 9.92 0.27 -4.75 116.55 119.70 1a9x n ASP 2246Ca 0.05 -1.88 -0.24 0.00 -0.53 0.00 0.00 54.79 52.19 1a9x n ASP 2246Cb 0.32 -0.13 -0.03 0.00 -0.64 0.00 0.00 41.12 40.65 1a9x n ASP 2246CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1a9x s SER 2247N -1.43 6.27 0.06 -2.24 0.01 -0.24 -4.82 113.70 111.31 1a9x s SER 2247Ca 0.29 0.11 -0.27 0.00 1.31 0.00 0.00 55.95 57.39 1a9x s SER 2247Cb 0.18 -1.86 -0.05 0.00 0.21 0.00 0.00 66.02 64.50 1a9x s SER 2247CO 0.26 0.01 0.83 -0.63 0.41 0.00 0.00 173.24 174.12 1a9x s ILE 2248N -1.83 4.68 0.09 1.44 1.01 -1.26 -4.31 121.20 121.01 1a9x s ILE 2248Ca 0.34 1.78 0.02 0.00 0.00 0.00 0.00 60.65 62.79 1a9x s ILE 2248Cb -0.10 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.15 1a9x s ILE 2248CO 0.28 0.34 -0.07 0.42 0.00 0.00 0.00 174.94 175.91 1a9x s THR 2249N 0.03 0.68 0.06 2.92 -4.23 -0.44 0.22 115.64 114.88 1a9x s THR 2249Ca 0.42 -1.73 0.01 0.00 -1.18 0.00 0.00 61.69 59.21 1a9x s THR 2249Cb -0.21 -1.42 -0.03 0.00 1.34 0.00 0.00 72.50 72.17 1a9x s THR 2249CO 0.25 -0.74 -0.05 0.68 -0.54 0.00 0.00 174.62 174.22 1a9x s VAL 2250N -3.04 0.42 -0.02 2.29 -7.23 0.35 -0.80 120.40 112.37 1a9x s VAL 2250Ca 0.07 -1.52 0.05 0.00 -1.81 0.00 0.00 61.98 58.76 1a9x s VAL 2250Cb 0.01 -1.14 -0.01 0.00 0.56 0.00 0.00 36.38 35.80 1a9x s VAL 2250CO -0.03 -0.73 -0.18 0.00 -0.31 0.00 0.00 175.10 173.85 1a9x s ALA 2251N -2.81 1.49 0.61 1.32 0.00 -0.01 -0.16 121.76 122.20 1a9x s ALA 2251Ca 0.01 -0.74 -0.01 0.00 0.00 0.00 0.00 51.96 51.21 1a9x s ALA 2251Cb -0.00 -0.42 0.04 0.00 0.00 0.00 0.00 23.12 22.74 1a9x s ALA 2251CO -0.04 0.33 0.26 -0.35 0.00 0.00 0.00 175.76 175.97 1a9x n PRO 2252N 2.81 0.24 -1.97 0.00 -0.04 -1.26 -1.35 135.00 133.43 1a9x n PRO 2252Ca -0.16 -0.62 -0.38 0.00 -0.04 0.00 0.00 63.50 62.30 1a9x n PRO 2252Cb 0.54 -0.21 0.02 0.00 -0.04 0.00 0.00 33.50 33.81 1a9x n PRO 2252CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a9x s ALA 2253N -3.16 2.93 -0.14 0.55 0.00 -1.24 -4.41 121.76 116.29 1a9x s ALA 2253Ca 0.17 1.20 0.02 0.00 0.00 0.00 0.00 51.96 53.35 1a9x s ALA 2253Cb -0.01 -3.50 -0.10 0.00 0.00 0.00 0.00 23.12 19.51 1a9x s ALA 2253CO 0.11 -1.07 -0.10 1.04 0.00 0.00 0.00 175.76 175.73 1a9x n GLN 2254N -0.69 0.61 -0.97 0.00 1.13 -1.26 -4.76 117.38 111.43 1a9x n GLN 2254Ca 0.08 0.07 -0.11 0.00 -1.94 0.00 0.00 57.00 55.10 1a9x n GLN 2254Cb 0.46 -1.29 0.20 0.00 0.11 0.00 0.00 30.24 29.72 1a9x n GLN 2254CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1a9x n THR 2255N -2.85 2.83 -4.55 5.09 -2.24 -1.26 -4.96 114.28 106.33 1a9x n THR 2255Ca -0.25 -2.31 -0.34 0.00 -2.27 0.00 0.00 64.05 58.89 1a9x n THR 2255Cb 0.79 -0.38 -0.11 0.00 -2.10 0.00 0.00 70.33 68.53 1a9x n THR 2255CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1a9x s LEU 2256N -3.23 3.26 0.78 3.22 1.43 -1.26 -5.10 118.68 117.78 1a9x s LEU 2256Ca 0.50 0.00 -0.11 0.00 -1.03 0.00 0.00 54.13 53.50 1a9x s LEU 2256Cb 0.43 -1.73 0.06 0.00 0.03 0.00 0.00 46.19 44.99 1a9x s LEU 2256CO 0.06 0.35 1.09 0.42 0.23 0.00 0.00 176.35 178.49 1a9x s THR 2257N -0.70 3.35 0.37 5.49 -4.23 -1.26 -4.73 115.64 113.93 1a9x s THR 2257Ca 0.11 0.44 0.05 0.00 -1.18 0.00 0.00 61.69 61.10 1a9x s THR 2257Cb -0.11 -2.97 0.27 0.00 1.34 0.00 0.00 72.50 71.03 1a9x s THR 2257CO 0.02 -0.57 2.01 -0.78 -0.54 0.00 0.00 174.62 174.76 1a9x h ASP 2258N -1.12 0.62 -0.84 3.99 3.58 -1.98 0.75 116.42 121.42 1a9x h ASP 2258Ca -0.44 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 56.98 1a9x h ASP 2258Cb 1.24 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 42.10 1a9x h ASP 2258CO 0.53 0.44 0.47 0.11 -2.88 0.00 0.00 179.24 177.90 1a9x h LYS 2259N 0.72 1.17 -0.23 0.28 1.57 -2.00 -1.33 116.57 116.76 1a9x h LYS 2259Ca 0.23 -0.13 -0.19 0.00 -1.87 0.00 0.00 60.65 58.69 1a9x h LYS 2259Cb 0.01 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.10 1a9x h LYS 2259CO -0.06 0.86 -0.58 0.93 -0.57 0.00 0.00 179.45 180.03 1a9x h GLU 2260N 1.17 0.80 -0.86 3.15 5.08 -1.58 -2.83 114.58 119.51 1a9x h GLU 2260Ca 0.30 -0.55 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 1a9x h GLU 2260Cb 0.02 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 1a9x h GLU 2260CO -0.05 1.18 0.51 -0.92 -1.00 0.00 0.00 179.01 178.73 1a9x h TYR 2261N 0.55 1.14 -0.34 4.33 5.03 -0.67 -2.70 116.97 124.31 1a9x h TYR 2261Ca -0.01 -0.01 -0.12 0.00 2.58 0.00 0.00 58.73 61.18 1a9x h TYR 2261Cb 1.20 -0.37 -0.01 0.00 1.55 0.00 0.00 36.73 39.09 1a9x h TYR 2261CO 0.08 0.77 -0.27 1.96 -1.32 0.00 0.00 178.16 179.38 1a9x h GLN 2262N 1.19 0.69 -0.77 1.82 1.08 -1.22 0.31 115.11 118.21 1a9x h GLN 2262Ca 0.31 -0.29 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 1a9x h GLN 2262Cb -0.03 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.33 1a9x h GLN 2262CO -0.06 0.89 0.40 0.82 -0.95 0.00 0.00 178.83 179.93 1a9x h ILE 2263N 0.60 1.24 -0.43 2.54 2.04 -1.26 0.13 117.51 122.37 1a9x h ILE 2263Ca 0.08 -0.62 -0.13 0.00 1.00 0.00 0.00 64.86 65.18 1a9x h ILE 2263Cb 0.77 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1a9x h ILE 2263CO 0.06 0.27 -0.23 -0.03 0.00 0.00 0.00 178.15 178.22 1a9x h MET 2264N 1.07 0.92 0.05 2.37 4.05 -1.26 -1.42 114.93 120.72 1a9x h MET 2264Ca 0.27 -0.41 -0.00 0.00 -0.28 0.00 0.00 59.70 59.27 1a9x h MET 2264Cb 0.07 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 1a9x h MET 2264CO -0.04 1.07 -0.03 -0.09 0.23 0.00 0.00 176.91 178.06 1a9x h ARG 2265N 0.75 -0.07 -0.67 0.39 2.43 -0.64 0.47 114.38 117.05 1a9x h ARG 2265Ca 0.09 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1a9x h ARG 2265Cb 0.81 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.34 1a9x h ARG 2265CO 0.07 0.10 0.37 -0.91 -1.51 0.00 0.00 179.97 178.09 1a9x h ASN 2266N -0.23 0.82 -0.60 -3.80 -0.26 -0.70 -2.36 115.58 108.45 1a9x h ASN 2266Ca -0.01 -0.06 -0.10 0.00 -0.56 0.00 0.00 56.30 55.57 1a9x h ASN 2266Cb 0.20 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.23 1a9x h ASN 2266CO 0.01 0.66 -0.00 0.00 -1.06 0.00 0.00 177.43 177.04 1a9x h ALA 2267N 1.48 0.85 -0.98 -0.83 0.00 -0.91 -1.99 119.26 116.88 1a9x h ALA 2267Ca 0.24 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1a9x h ALA 2267Cb 0.02 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 1a9x h ALA 2267CO -0.04 0.67 0.65 0.77 0.00 0.00 0.00 179.25 181.30 1a9x h SER 2268N 0.97 1.12 0.53 0.00 0.02 -0.41 -0.95 113.55 114.83 1a9x h SER 2268Ca 0.17 -0.03 -0.17 0.00 -0.84 0.00 0.00 61.79 60.93 1a9x h SER 2268Cb 0.56 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1a9x h SER 2268CO 0.03 0.81 -0.74 0.24 -1.14 0.00 0.00 176.83 176.03 1a9x h MET 2269N 1.32 0.17 -0.75 3.45 2.86 -1.23 -2.89 114.93 117.86 1a9x h MET 2269Ca 0.36 -0.15 -0.06 0.00 -2.06 0.00 0.00 59.70 57.79 1a9x h MET 2269Cb -0.15 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 1a9x h MET 2269CO -0.08 0.84 0.23 0.00 1.06 0.00 0.00 176.91 178.96 1a9x h ALA 2270N 1.12 0.99 -0.08 6.32 0.00 -0.95 -1.66 119.26 125.00 1a9x h ALA 2270Ca -0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1a9x h ALA 2270Cb 1.31 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1a9x h ALA 2270CO 0.11 0.67 0.04 0.28 0.00 0.00 0.00 179.25 180.35 1a9x h VAL 2271N 1.12 1.12 -0.56 0.00 2.07 -1.10 0.54 116.25 119.43 1a9x h VAL 2271Ca 0.24 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 1a9x h VAL 2271Cb 0.31 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1a9x h VAL 2271CO -0.01 0.10 0.28 -0.07 0.02 0.00 0.00 177.57 177.90 1a9x h LEU 2272N 0.00 0.73 -0.45 2.57 4.07 -1.39 0.06 115.31 120.90 1a9x h LEU 2272Ca 0.03 -0.12 -0.02 0.00 0.08 0.00 0.00 57.88 57.85 1a9x h LEU 2272Cb 0.13 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.66 1a9x h LEU 2272CO -0.00 0.64 0.21 0.03 -1.08 0.00 0.00 178.44 178.24 1a9x h ARG 2273N 0.76 0.66 -0.13 1.13 3.08 -1.07 0.70 114.38 119.51 1a9x h ARG 2273Ca 0.20 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 1a9x h ARG 2273Cb 0.10 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 1a9x h ARG 2273CO -0.03 0.57 -0.07 1.49 -1.07 0.00 0.00 179.97 180.87 1a9x h GLU 2274N 0.59 0.27 -0.67 0.04 4.57 -0.61 -2.96 114.58 115.81 1a9x h GLU 2274Ca 0.15 -0.12 -0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1a9x h GLU 2274Cb 0.14 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 1a9x h GLU 2274CO -0.02 0.61 0.42 0.82 -1.18 0.00 0.00 179.01 179.66 1a9x h ILE 2275N -0.07 1.18 0.00 2.32 5.03 -0.95 -3.46 117.51 121.56 1a9x h ILE 2275Ca 0.03 -0.38 0.00 0.00 -0.12 0.00 0.00 64.86 64.39 1a9x h ILE 2275Cb 0.53 0.22 0.00 0.00 -3.03 0.00 0.00 36.82 34.54 1a9x h ILE 2275CO 0.02 0.19 0.00 0.61 -0.68 0.00 0.00 178.15 178.29 1a9x n GLY 2276N -1.36 1.39 3.61 5.37 0.00 0.12 -4.41 105.19 109.91 1a9x n GLY 2276Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1a9x n GLY 2276CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a9x s VAL 2277N -2.00 4.74 -0.32 1.61 1.01 -0.50 -4.78 120.40 120.17 1a9x s VAL 2277Ca 0.00 1.19 0.04 0.00 0.00 0.00 0.00 61.98 63.21 1a9x s VAL 2277Cb 0.00 -4.20 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 1a9x s VAL 2277CO 0.00 -0.32 0.37 -0.62 0.00 0.00 0.00 175.10 174.53 1a9x n GLU 2278N 6.34 2.90 -2.95 2.72 1.02 -1.26 -4.59 120.64 124.82 1a9x n GLU 2278Ca 0.05 -0.34 -0.14 0.00 -0.02 0.00 0.00 57.16 56.70 1a9x n GLU 2278Cb 0.48 -0.86 0.02 0.00 -0.02 0.00 0.00 31.44 31.06 1a9x n GLU 2278CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1a9x n THR 2279N -0.47 -0.16 -3.66 2.62 -2.24 -1.23 -2.01 114.28 107.12 1a9x n THR 2279Ca 0.01 -2.86 0.00 0.00 -2.27 0.00 0.00 64.05 58.94 1a9x n THR 2279Cb 0.08 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 1a9x n THR 2279CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a9x n GLY 2280N 0.73 -0.78 3.94 3.38 0.00 -0.57 -3.63 105.19 108.26 1a9x n GLY 2280Ca 0.15 -0.99 -0.20 0.00 0.00 0.00 0.00 46.02 44.98 1a9x n GLY 2280CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a9x s GLY 2281N 0.00 1.54 0.15 -0.02 0.00 -1.26 -1.17 107.32 106.56 1a9x s GLY 2281Ca 0.00 -1.45 -0.22 0.00 0.00 0.00 0.00 44.72 43.05 1a9x s GLY 2281CO 0.00 -1.40 0.56 -0.56 0.00 0.00 0.00 173.10 171.70 1a9x s SER 2282N -4.07 -0.50 -0.11 1.64 0.01 -0.33 -3.86 113.70 106.49 1a9x s SER 2282Ca 0.41 -0.06 0.01 0.00 1.31 0.00 0.00 55.95 57.62 1a9x s SER 2282Cb -0.08 0.57 -0.01 0.00 0.21 0.00 0.00 66.02 66.70 1a9x s SER 2282CO 0.29 -0.94 -0.15 0.21 0.41 0.00 0.00 173.24 173.06 1a9x s ASN 2283N -2.74 3.87 -0.10 2.44 3.84 -1.04 -1.30 114.94 119.92 1a9x s ASN 2283Ca 0.01 -0.34 0.03 0.00 0.21 0.00 0.00 52.86 52.77 1a9x s ASN 2283Cb -0.00 -1.44 0.01 0.00 -0.55 0.00 0.00 41.25 39.27 1a9x s ASN 2283CO -0.13 0.20 -0.19 -0.69 -2.79 0.00 0.00 177.10 173.50 1a9x s VAL 2284N 0.16 1.70 -0.03 -5.21 1.01 -0.38 -1.71 120.40 115.93 1a9x s VAL 2284Ca -0.08 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.12 1a9x s VAL 2284Cb -0.15 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 1a9x s VAL 2284CO 0.05 0.48 -0.06 -1.10 0.00 0.00 0.00 175.10 174.47 1a9x s GLN 2285N 0.61 2.67 0.13 2.72 -0.21 -0.83 -0.63 119.66 124.12 1a9x s GLN 2285Ca -0.14 -0.62 0.01 0.00 0.02 0.00 0.00 55.36 54.62 1a9x s GLN 2285Cb -0.17 -2.56 -0.04 0.00 1.00 0.00 0.00 33.01 31.24 1a9x s GLN 2285CO 0.04 0.64 0.01 -0.06 -2.12 0.00 0.00 175.29 173.80 1a9x s PHE 2286N -0.91 0.97 -0.01 0.91 0.40 -0.07 -0.28 117.98 118.99 1a9x s PHE 2286Ca 0.15 -1.08 0.07 0.00 -0.60 0.00 0.00 56.93 55.47 1a9x s PHE 2286Cb -0.11 -0.56 -0.02 0.00 0.51 0.00 0.00 43.02 42.84 1a9x s PHE 2286CO 0.05 -0.33 -0.23 0.00 0.70 0.00 0.00 175.22 175.41 1a9x s ALA 2287N -3.81 1.91 -0.07 5.36 0.00 0.54 -1.22 121.76 124.46 1a9x s ALA 2287Ca 0.20 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 51.17 1a9x s ALA 2287Cb 0.07 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.73 1a9x s ALA 2287CO 0.00 0.46 -0.11 0.08 0.00 0.00 0.00 175.76 176.20 1a9x s VAL 2288N -0.58 1.05 -0.44 0.00 1.01 0.29 -0.46 120.40 121.27 1a9x s VAL 2288Ca 0.09 -0.41 -0.29 0.00 0.00 0.00 0.00 61.98 61.37 1a9x s VAL 2288Cb -0.09 -0.98 0.03 0.00 0.00 0.00 0.00 36.38 35.34 1a9x s VAL 2288CO -0.00 0.34 1.16 0.21 0.00 0.00 0.00 175.10 176.80 1a9x s ASN 2289N 0.82 6.66 0.62 3.32 3.84 -0.64 -0.26 114.94 129.30 1a9x s ASN 2289Ca -0.12 0.62 0.41 0.00 0.21 0.00 0.00 52.86 53.98 1a9x s ASN 2289Cb -0.15 -2.55 2.21 0.00 -0.55 0.00 0.00 41.25 40.21 1a9x s ASN 2289CO 0.02 -1.20 2.26 1.55 -2.79 0.00 0.00 177.10 176.94 1a9x h PRO 2290N 9.17 0.00 0.00 0.43 0.13 -1.92 0.74 132.00 140.55 1a9x h PRO 2290Ca -0.23 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.80 1a9x h PRO 2290Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 1a9x h PRO 2290CO 1.11 0.00 -0.46 0.87 -0.23 0.00 0.00 178.00 179.29 1a9x h LYS 2291N 0.00 0.00 0.00 0.86 1.57 -1.99 -3.39 116.57 113.62 1a9x h LYS 2291Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1a9x h LYS 2291Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1a9x h LYS 2291CO 0.00 0.46 0.00 0.27 -0.57 0.00 0.00 179.45 179.61 1a9x n ASN 2292N -3.35 0.00 0.00 0.86 0.23 -0.64 -5.03 115.26 107.33 1a9x n ASN 2292Ca 0.01 -1.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.06 1a9x n ASN 2292Cb 0.64 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.34 1a9x n ASN 2292CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1a9x n GLY 2293N 0.00 0.51 3.68 4.83 0.00 0.25 -4.95 105.19 109.52 1a9x n GLY 2293Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.53 1a9x n GLY 2293CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1a9x n ARG 2294N -1.83 2.08 -3.47 1.61 0.63 -1.25 -4.65 116.66 109.79 1a9x n ARG 2294Ca 0.00 0.76 -0.38 0.00 -0.92 0.00 0.00 57.85 57.31 1a9x n ARG 2294Cb 0.06 -2.58 -0.08 0.00 0.45 0.00 0.00 32.46 30.31 1a9x n ARG 2294CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1a9x s LEU 2295N 3.49 4.13 -0.14 6.15 2.96 -1.26 -1.61 118.68 132.39 1a9x s LEU 2295Ca 0.91 0.37 0.00 0.00 -0.22 0.00 0.00 54.13 55.19 1a9x s LEU 2295Cb -0.72 -2.39 -0.01 0.00 0.50 0.00 0.00 46.19 43.57 1a9x s LEU 2295CO 0.51 -0.05 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.72 1a9x s ILE 2296N 1.34 2.90 0.20 6.68 1.01 0.39 -4.44 121.20 129.28 1a9x s ILE 2296Ca 0.15 -0.70 -0.28 0.00 0.00 0.00 0.00 60.65 59.82 1a9x s ILE 2296Cb -0.15 -2.22 -0.08 0.00 0.01 0.00 0.00 42.46 40.02 1a9x s ILE 2296CO 0.07 0.52 0.87 -0.69 0.00 0.00 0.00 174.94 175.71 1a9x s VAL 2297N 0.54 4.22 -0.17 2.92 1.01 0.69 -0.34 120.40 129.27 1a9x s VAL 2297Ca -0.09 1.92 -0.14 0.00 0.00 0.00 0.00 61.98 63.68 1a9x s VAL 2297Cb -0.16 -4.25 -0.07 0.00 0.00 0.00 0.00 36.38 31.91 1a9x s VAL 2297CO 0.04 0.50 -0.30 -0.38 0.00 0.00 0.00 175.10 174.96 1a9x n ILE 2298N 1.62 1.39 -3.88 2.22 2.08 0.61 -4.51 119.36 118.89 1a9x n ILE 2298Ca -0.03 0.00 -0.04 0.00 0.56 0.00 0.00 62.75 63.24 1a9x n ILE 2298Cb 0.48 -2.08 0.02 0.00 -0.75 0.00 0.00 39.64 37.31 1a9x n ILE 2298CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 1a9x s GLU 2299N -2.64 1.43 -0.13 0.38 -1.05 -1.21 -5.02 118.70 110.46 1a9x s GLU 2299Ca -0.27 -0.93 -0.12 0.00 -0.15 0.00 0.00 54.97 53.50 1a9x s GLU 2299Cb 0.07 0.40 0.04 0.00 -0.44 0.00 0.00 34.13 34.19 1a9x s GLU 2299CO 0.38 -0.67 0.35 0.00 0.95 0.00 0.00 175.26 176.27 1a9x s MET 2300N -2.12 0.41 -0.26 -4.83 0.23 -1.26 -1.96 119.30 109.50 1a9x s MET 2300Ca 0.22 0.50 -0.03 0.00 -1.03 0.00 0.00 55.69 55.35 1a9x s MET 2300Cb -0.03 0.19 0.02 0.00 -1.53 0.00 0.00 34.83 33.48 1a9x s MET 2300CO 0.06 -0.05 -0.02 -0.80 -2.03 0.00 0.00 175.02 172.18 1a9x s ASN 2301N 0.24 4.57 0.00 -1.18 0.01 -0.70 -4.72 114.94 113.17 1a9x s ASN 2301Ca -0.00 -0.87 -0.02 0.00 -0.71 0.00 0.00 52.86 51.25 1a9x s ASN 2301Cb -0.03 -1.72 -0.09 0.00 0.41 0.00 0.00 41.25 39.82 1a9x s ASN 2301CO -0.00 -0.16 2.34 -0.81 -1.51 0.00 0.00 177.10 176.96 1a9x n PRO 2302N 4.71 1.22 -3.62 -0.60 -0.04 -1.26 -2.49 135.00 132.92 1a9x n PRO 2302Ca -0.16 -0.33 -0.07 0.00 -0.04 0.00 0.00 63.50 62.91 1a9x n PRO 2302Cb 0.47 -1.38 0.03 0.00 -0.04 0.00 0.00 33.50 32.58 1a9x n PRO 2302CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1a9x n ARG 2303N 1.92 0.96 -1.22 0.54 1.85 -1.25 -4.85 116.66 114.60 1a9x n ARG 2303Ca 0.14 -1.93 -0.30 0.00 -1.00 0.00 0.00 57.85 54.76 1a9x n ARG 2303Cb 0.58 2.44 0.11 0.00 -1.05 0.00 0.00 32.46 34.55 1a9x n ARG 2303CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 1a9x s VAL 2304N -2.14 3.03 0.21 8.89 -7.23 -0.64 -4.44 120.40 118.07 1a9x s VAL 2304Ca 0.16 0.33 -0.04 0.00 -1.81 0.00 0.00 61.98 60.63 1a9x s VAL 2304Cb -0.04 -2.81 0.02 0.00 0.56 0.00 0.00 36.38 34.11 1a9x s VAL 2304CO 0.10 -0.44 0.34 -1.54 -0.31 0.00 0.00 175.10 173.25 1a9x n SER 2305N -3.69 -0.98 0.02 4.85 3.41 -1.26 -4.69 113.62 111.29 1a9x n SER 2305Ca 0.08 -1.99 -0.03 0.00 -0.26 0.00 0.00 58.87 56.67 1a9x n SER 2305Cb 0.54 1.72 0.22 0.00 -0.26 0.00 0.00 64.21 66.42 1a9x n SER 2305CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1a9x h ARG 2306N 0.00 0.46 0.00 4.33 0.11 -1.95 -2.04 114.38 115.30 1a9x h ARG 2306Ca -0.17 -0.17 -0.10 0.00 0.10 0.00 0.00 59.98 59.64 1a9x h ARG 2306Cb 0.68 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.71 1a9x h ARG 2306CO 0.22 0.67 -0.49 0.77 0.10 0.00 0.00 179.97 181.24 1a9x h SER 2307N 0.41 0.00 0.82 0.08 0.02 -1.98 -1.05 113.55 111.85 1a9x h SER 2307Ca 0.06 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.79 1a9x h SER 2307Cb 0.64 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 1a9x h SER 2307CO 0.05 0.49 -1.03 0.77 -1.14 0.00 0.00 176.83 175.98 1a9x h SER 2308N 0.00 0.15 -0.35 3.07 4.64 -1.86 0.03 113.55 119.23 1a9x h SER 2308Ca -0.00 -0.15 -0.16 0.00 -0.47 0.00 0.00 61.79 61.00 1a9x h SER 2308Cb 0.94 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1a9x h SER 2308CO 0.06 1.08 -0.39 0.00 -0.87 0.00 0.00 176.83 176.71 1a9x h ALA 2309N 0.90 0.52 0.27 5.18 0.00 -1.21 -0.19 119.26 124.73 1a9x h ALA 2309Ca -0.05 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1a9x h ALA 2309Cb 1.75 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1a9x h ALA 2309CO 0.15 0.63 -0.13 1.25 0.00 0.00 0.00 179.25 181.14 1a9x h LEU 2310N 0.69 -0.31 -0.88 0.00 5.85 -1.06 -2.35 115.31 117.25 1a9x h LEU 2310Ca 0.05 -0.03 0.17 0.00 0.84 0.00 0.00 57.88 58.91 1a9x h LEU 2310Cb 0.98 0.08 -0.10 0.00 0.37 0.00 0.00 40.66 41.99 1a9x h LEU 2310CO 0.09 -0.17 0.44 0.00 -0.34 0.00 0.00 178.44 178.47 1a9x h ALA 2311N 0.30 1.36 -0.43 1.25 0.00 -0.93 0.45 119.26 121.25 1a9x h ALA 2311Ca -0.04 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1a9x h ALA 2311Cb 0.32 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1a9x h ALA 2311CO 0.06 -0.16 -0.04 0.77 0.00 0.00 0.00 179.25 179.89 1a9x h SER 2312N 0.58 0.78 -0.47 0.00 0.02 -0.83 -0.04 113.55 113.59 1a9x h SER 2312Ca 0.50 -0.33 -0.12 0.00 -0.84 0.00 0.00 61.79 61.00 1a9x h SER 2312Cb 0.79 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1a9x h SER 2312CO -0.41 0.93 -0.18 0.11 -1.14 0.00 0.00 176.83 176.13 1a9x h LYS 2313N 0.63 0.95 -0.52 3.45 1.79 -0.75 0.38 116.57 122.50 1a9x h LYS 2313Ca 0.12 -0.40 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 1a9x h LYS 2313Cb 0.55 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.13 1a9x h LYS 2313CO 0.03 1.06 0.34 0.00 -1.08 0.00 0.00 179.45 179.80 1a9x h ALA 2314N 0.86 0.66 0.00 3.86 0.00 0.15 -3.29 119.26 121.50 1a9x h ALA 2314Ca 0.11 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1a9x h ALA 2314Cb 0.75 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1a9x h ALA 2314CO 0.06 0.11 -2.06 0.25 0.00 0.00 0.00 179.25 177.60 1a9x n THR 2315N -4.72 0.31 -0.81 0.00 -2.24 -0.05 -4.98 114.28 101.78 1a9x n THR 2315Ca 0.03 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1a9x n THR 2315Cb 0.02 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 1a9x n THR 2315CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a9x n GLY 2316N 1.40 0.56 3.51 3.38 0.00 0.13 -2.84 105.19 111.33 1a9x n GLY 2316Ca -0.10 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 1a9x n GLY 2316CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1a9x s PHE 2317N -2.00 3.23 -1.07 1.61 2.19 -1.18 -4.69 117.98 116.07 1a9x s PHE 2317Ca 0.00 -0.34 -0.22 0.00 0.33 0.00 0.00 56.93 56.70 1a9x s PHE 2317Cb 0.00 -2.51 0.02 0.00 -1.31 0.00 0.00 43.02 39.21 1a9x s PHE 2317CO 0.00 -0.44 1.68 -1.25 1.83 0.00 0.00 175.22 177.04 1a9x s PRO 2318N 1.71 3.33 0.11 10.12 0.04 -1.26 -4.26 135.00 144.79 1a9x s PRO 2318Ca 0.06 -1.13 -0.26 0.00 0.04 0.00 0.00 61.00 59.70 1a9x s PRO 2318Cb -0.18 -5.32 -0.08 0.00 0.04 0.00 0.00 34.50 28.96 1a9x s PRO 2318CO 0.10 -2.67 1.65 0.82 0.04 0.00 0.00 177.00 176.94 1a9x h ILE 2319N 6.57 0.47 -0.78 0.56 2.04 -1.92 -1.60 117.51 122.85 1a9x h ILE 2319Ca 0.23 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.17 1a9x h ILE 2319Cb 0.97 0.47 -0.06 0.00 -0.74 0.00 0.00 36.82 37.46 1a9x h ILE 2319CO 1.37 0.00 0.45 0.00 0.00 0.00 0.00 178.15 179.97 1a9x h ALA 2320N 0.38 1.08 0.02 1.87 0.00 -1.90 0.66 119.26 121.37 1a9x h ALA 2320Ca 0.04 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1a9x h ALA 2320Cb 0.45 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1a9x h ALA 2320CO -0.15 0.12 -0.01 -0.22 0.00 0.00 0.00 179.25 178.99 1a9x h LYS 2321N 0.80 -0.03 -0.33 0.00 3.64 -1.74 -1.54 116.57 117.37 1a9x h LYS 2321Ca 0.36 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1a9x h LYS 2321Cb 0.26 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1a9x h LYS 2321CO -0.21 0.10 0.21 0.28 -2.27 0.00 0.00 179.45 177.56 1a9x h VAL 2322N -0.15 1.10 -0.90 2.00 2.07 -0.79 -2.99 116.25 116.59 1a9x h VAL 2322Ca -0.00 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.35 1a9x h VAL 2322Cb 0.14 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 1a9x h VAL 2322CO 0.00 0.09 0.58 0.00 0.02 0.00 0.00 177.57 178.27 1a9x h ALA 2323N 1.10 1.18 -0.83 1.67 0.00 -0.81 -1.67 119.26 119.91 1a9x h ALA 2323Ca 0.12 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1a9x h ALA 2323Cb -0.03 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 17.39 1a9x h ALA 2323CO -0.02 0.45 0.51 0.00 0.00 0.00 0.00 179.25 180.19 1a9x h ALA 2324N 1.36 1.12 -0.02 0.00 0.00 -1.14 -0.91 119.26 119.67 1a9x h ALA 2324Ca 0.35 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 1a9x h ALA 2324Cb -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1a9x h ALA 2324CO -0.11 0.28 -0.47 0.87 0.00 0.00 0.00 179.25 179.82 1a9x h LYS 2325N 0.96 0.06 -0.30 0.00 1.57 -1.30 -2.45 116.57 115.11 1a9x h LYS 2325Ca 0.35 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.95 1a9x h LYS 2325Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1a9x h LYS 2325CO -0.15 0.51 -0.44 -0.07 -0.57 0.00 0.00 179.45 178.73 1a9x h LEU 2326N 0.05 0.81 -2.26 2.94 4.07 -0.59 -2.21 115.31 118.12 1a9x h LEU 2326Ca -0.00 -0.39 0.01 0.00 0.08 0.00 0.00 57.88 57.58 1a9x h LEU 2326Cb 0.84 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 42.35 1a9x h LEU 2326CO 0.06 1.14 0.04 0.00 -1.08 0.00 0.00 178.44 178.60 1a9x h ALA 2327N 0.90 1.77 -0.56 1.53 0.00 -0.70 -2.28 119.26 119.92 1a9x h ALA 2327Ca 0.04 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1a9x h ALA 2327Cb 1.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1a9x h ALA 2327CO 0.10 -0.06 0.02 1.33 0.00 0.00 0.00 179.25 180.63 1a9x n VAL 2328N -4.11 2.63 0.00 0.00 0.24 -1.04 -4.48 118.33 111.56 1a9x n VAL 2328Ca -0.02 -1.34 0.00 0.00 -2.04 0.00 0.00 64.34 60.95 1a9x n VAL 2328Cb 0.14 -0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.21 1a9x n VAL 2328CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a9x n GLY 2329N 0.53 2.06 3.78 7.63 0.00 -0.86 0.11 105.19 118.45 1a9x n GLY 2329Ca 0.27 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.96 1a9x n GLY 2329CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a9x s TYR 2330N -2.16 2.74 0.17 1.61 2.02 -0.86 -3.83 117.35 117.04 1a9x s TYR 2330Ca 0.00 1.54 0.06 0.00 -0.37 0.00 0.00 57.07 58.30 1a9x s TYR 2330Cb 0.00 -3.17 -0.04 0.00 -0.40 0.00 0.00 41.96 38.35 1a9x s TYR 2330CO 0.00 -1.47 0.09 0.95 -1.57 0.00 0.00 175.55 173.55 1a9x s THR 2331N -2.15 4.20 0.29 -0.71 -4.23 -1.19 -4.36 115.64 107.50 1a9x s THR 2331Ca 0.68 -1.23 0.04 0.00 -1.18 0.00 0.00 61.69 60.00 1a9x s THR 2331Cb -0.20 -3.14 0.28 0.00 1.34 0.00 0.00 72.50 70.78 1a9x s THR 2331CO 0.34 -0.12 1.78 -0.07 -0.54 0.00 0.00 174.62 176.00 1a9x h LEU 2332N 2.46 0.72 -2.14 4.79 3.38 -1.93 0.97 115.31 123.57 1a9x h LEU 2332Ca -0.47 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1a9x h LEU 2332Cb 1.20 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1a9x h LEU 2332CO 0.61 0.28 0.00 -2.24 0.09 0.00 0.00 178.44 177.18 1a9x h ASP 2333N 0.74 0.00 0.53 -0.43 2.03 -1.92 -2.82 116.42 114.54 1a9x h ASP 2333Ca 0.54 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.84 1a9x h ASP 2333Cb 0.80 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.30 1a9x h ASP 2333CO -0.37 0.00 -0.71 -0.62 -1.03 0.00 0.00 179.24 176.51 1a9x n GLU 2334N -3.07 0.14 -3.38 4.15 1.02 0.33 -4.82 120.64 115.01 1a9x n GLU 2334Ca -0.01 0.02 -0.30 0.00 -0.02 0.00 0.00 57.16 56.85 1a9x n GLU 2334Cb 0.20 -1.57 -0.04 0.00 -0.02 0.00 0.00 31.44 30.01 1a9x n GLU 2334CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1a9x s LEU 2335N -3.53 4.11 0.14 -4.62 1.43 -1.08 -5.00 118.68 110.13 1a9x s LEU 2335Ca 0.08 0.79 0.02 0.00 -1.03 0.00 0.00 54.13 53.99 1a9x s LEU 2335Cb 0.16 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.76 1a9x s LEU 2335CO 0.74 -0.13 0.28 -0.04 0.23 0.00 0.00 176.35 177.43 1a9x s MET 2336N -3.20 3.45 -0.30 1.70 -1.94 -1.26 -0.69 119.30 117.06 1a9x s MET 2336Ca 0.45 -0.55 -0.29 0.00 -1.71 0.00 0.00 55.69 53.59 1a9x s MET 2336Cb -0.11 -2.97 0.01 0.00 2.01 0.00 0.00 34.83 33.77 1a9x s MET 2336CO 0.26 0.53 1.12 1.21 -0.01 0.00 0.00 175.02 178.13 1a9x s ASN 2337N -3.11 6.91 0.13 3.03 2.47 0.34 -4.41 114.94 120.31 1a9x s ASN 2337Ca 0.35 1.15 -0.30 0.00 0.42 0.00 0.00 52.86 54.48 1a9x s ASN 2337Cb -0.11 -2.54 -0.06 0.00 -1.45 0.00 0.00 41.25 37.08 1a9x s ASN 2337CO 0.28 -0.88 1.57 0.44 -3.72 0.00 0.00 177.10 174.80 1a9x h ASP 2338N 8.21 -1.43 0.92 -4.21 5.19 -1.91 0.24 116.42 123.44 1a9x h ASP 2338Ca -0.22 0.19 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1a9x h ASP 2338Cb 1.07 0.58 0.00 0.00 0.18 0.00 0.00 39.33 41.16 1a9x h ASP 2338CO 1.02 -0.43 0.00 0.16 -3.12 0.00 0.00 179.24 176.87 1a9x h ILE 2339N -0.49 0.00 -0.59 0.35 3.07 -1.90 -2.89 117.51 115.06 1a9x h ILE 2339Ca 0.08 -0.46 -0.37 0.00 1.55 0.00 0.00 64.86 65.66 1a9x h ILE 2339Cb 0.63 1.46 -0.18 0.00 -0.27 0.00 0.00 36.82 38.46 1a9x h ILE 2339CO -0.44 0.00 0.47 0.35 -1.05 0.00 0.00 178.15 177.49 1a9x n THR 2340N -3.08 2.71 -1.50 0.16 -2.24 -1.16 -3.95 114.28 105.23 1a9x n THR 2340Ca 0.00 -1.63 -0.17 0.00 -2.27 0.00 0.00 64.05 59.98 1a9x n THR 2340Cb 0.28 -1.06 -0.07 0.00 -2.10 0.00 0.00 70.33 67.38 1a9x n THR 2340CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a9x n GLY 2341N -0.15 1.68 3.00 3.38 0.00 -1.10 -1.54 105.19 110.45 1a9x n GLY 2341Ca 0.37 -0.13 -0.19 0.00 0.00 0.00 0.00 46.02 46.06 1a9x n GLY 2341CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 2342N -0.65 -0.29 0.13 -0.02 0.00 0.83 -4.90 105.19 100.30 1a9x n GLY 2342Ca -0.17 0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 1a9x n GLY 2342CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a9x n ARG 2343N -3.81 0.65 -3.54 1.61 1.74 -0.59 -4.74 116.66 107.98 1a9x n ARG 2343Ca -0.04 0.22 -0.25 0.00 -0.77 0.00 0.00 57.85 57.00 1a9x n ARG 2343Cb 0.57 -1.56 -0.02 0.00 -1.02 0.00 0.00 32.46 30.44 1a9x n ARG 2343CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1a9x s THR 2344N -2.51 5.14 0.85 0.55 -4.23 -1.26 -4.92 115.64 109.25 1a9x s THR 2344Ca -0.34 -0.41 -0.12 0.00 -1.18 0.00 0.00 61.69 59.65 1a9x s THR 2344Cb 0.10 -3.80 0.10 0.00 1.34 0.00 0.00 72.50 70.24 1a9x s THR 2344CO 0.60 -0.37 1.12 -2.16 -0.54 0.00 0.00 174.62 173.27 1a9x s PRO 2345N -3.83 1.66 0.00 3.99 0.04 -1.26 0.13 135.00 135.73 1a9x s PRO 2345Ca 0.39 0.46 0.30 0.00 0.04 0.00 0.00 61.00 62.20 1a9x s PRO 2345Cb -0.10 -1.88 1.49 0.00 0.04 0.00 0.00 34.50 34.04 1a9x s PRO 2345CO 0.32 -1.87 2.03 0.00 0.04 0.00 0.00 177.00 177.51 1a9x n ALA 2346N -3.58 2.56 -2.67 8.56 0.00 0.14 -3.94 120.51 121.58 1a9x n ALA 2346Ca 0.07 -0.17 -0.43 0.00 0.00 0.00 0.00 53.44 52.90 1a9x n ALA 2346Cb 0.58 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1a9x n ALA 2346CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1a9x n SER 2347N -1.20 5.06 -3.73 0.00 3.41 -1.11 -4.89 113.62 111.17 1a9x n SER 2347Ca 0.15 -2.99 -0.07 0.00 -0.26 0.00 0.00 58.87 55.70 1a9x n SER 2347Cb 0.24 -1.59 -0.02 0.00 -0.26 0.00 0.00 64.21 62.58 1a9x n SER 2347CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1a9x s PHE 2348N 1.88 -0.26 -0.22 7.33 -0.71 -1.26 -4.95 117.98 119.79 1a9x s PHE 2348Ca 0.44 -0.10 -0.08 0.00 -1.04 0.00 0.00 56.93 56.16 1a9x s PHE 2348Cb 0.02 0.65 -0.04 0.00 -1.21 0.00 0.00 43.02 42.45 1a9x s PHE 2348CO 0.01 -1.04 0.08 -1.21 -1.34 0.00 0.00 175.22 171.73 1a9x s GLU 2349N -3.71 3.87 0.68 1.99 2.02 -1.26 -4.83 118.70 117.46 1a9x s GLU 2349Ca 0.09 -0.38 -0.17 0.00 0.02 0.00 0.00 54.97 54.53 1a9x s GLU 2349Cb -0.04 -3.31 0.01 0.00 0.10 0.00 0.00 34.13 30.89 1a9x s GLU 2349CO 0.01 0.07 1.25 -2.14 0.02 0.00 0.00 175.26 174.47 1a9x s PRO 2350N 0.95 2.41 -0.09 0.39 0.02 -1.26 -5.00 135.00 132.42 1a9x s PRO 2350Ca 0.04 1.92 0.01 0.00 0.02 0.00 0.00 61.00 62.99 1a9x s PRO 2350Cb -0.14 -1.85 0.02 0.00 0.02 0.00 0.00 34.50 32.55 1a9x s PRO 2350CO 0.03 -1.67 -0.11 0.45 -0.33 0.00 0.00 177.00 175.37 1a9x s SER 2351N -1.67 1.96 0.10 2.53 0.15 -0.14 -4.96 113.70 111.67 1a9x s SER 2351Ca 0.79 -0.31 0.09 0.00 0.70 0.00 0.00 55.95 57.22 1a9x s SER 2351Cb -0.33 -0.85 -0.04 0.00 -1.71 0.00 0.00 66.02 63.09 1a9x s SER 2351CO 0.41 -0.02 -0.20 0.27 1.20 0.00 0.00 173.24 174.90 1a9x s ILE 2352N 1.07 2.70 -0.51 6.45 -4.36 -1.26 -1.15 121.20 124.13 1a9x s ILE 2352Ca -0.07 -1.46 0.03 0.00 -0.26 0.00 0.00 60.65 58.89 1a9x s ILE 2352Cb -0.15 -2.20 0.42 0.00 1.25 0.00 0.00 42.46 41.79 1a9x s ILE 2352CO -0.01 0.17 1.46 -0.90 0.24 0.00 0.00 174.94 175.90 1a9x n ASP 2353N 1.05 5.81 -3.31 4.36 5.68 -1.26 -4.87 116.55 124.01 1a9x n ASP 2353Ca -0.16 -3.76 -0.05 0.00 -0.50 0.00 0.00 54.79 50.32 1a9x n ASP 2353Cb 0.53 -0.63 0.02 0.00 -1.14 0.00 0.00 41.12 39.90 1a9x n ASP 2353CO 0.00 0.00 0.00 -0.72 -1.33 0.00 0.00 177.20 175.15 1a9x s TYR 2354N -3.71 0.06 -0.11 2.11 -0.85 -1.26 -4.86 117.35 108.73 1a9x s TYR 2354Ca 0.52 -0.52 0.03 0.00 -0.52 0.00 0.00 57.07 56.59 1a9x s TYR 2354Cb 0.43 0.73 0.01 0.00 0.38 0.00 0.00 41.96 43.51 1a9x s TYR 2354CO -0.14 -1.08 -0.20 0.08 -1.52 0.00 0.00 175.55 172.70 1a9x s VAL 2355N -2.36 1.78 -0.15 -3.49 1.01 0.30 -4.70 120.40 112.79 1a9x s VAL 2355Ca 0.19 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.26 1a9x s VAL 2355Cb -0.03 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1a9x s VAL 2355CO 0.06 0.50 0.10 -0.69 0.00 0.00 0.00 175.10 175.08 1a9x s VAL 2356N 0.65 5.18 -0.04 2.92 1.01 -0.46 -2.24 120.40 127.42 1a9x s VAL 2356Ca -0.13 0.10 0.04 0.00 0.00 0.00 0.00 61.98 61.99 1a9x s VAL 2356Cb -0.16 -3.30 -0.00 0.00 0.00 0.00 0.00 36.38 32.92 1a9x s VAL 2356CO 0.03 0.53 -0.16 -0.89 0.00 0.00 0.00 175.10 174.62 1a9x s THR 2357N -0.29 1.30 -0.07 3.92 2.01 -0.41 -0.83 115.64 121.27 1a9x s THR 2357Ca 0.10 -0.65 0.06 0.00 0.31 0.00 0.00 61.69 61.51 1a9x s THR 2357Cb -0.12 -1.12 -0.01 0.00 0.01 0.00 0.00 72.50 71.27 1a9x s THR 2357CO 0.01 0.38 -0.25 -0.75 -0.69 0.00 0.00 174.62 173.32 1a9x s LYS 2358N 0.04 2.67 -0.06 4.92 2.20 0.02 -0.49 119.74 129.04 1a9x s LYS 2358Ca -0.03 -0.90 0.02 0.00 -0.36 0.00 0.00 55.97 54.71 1a9x s LYS 2358Cb -0.11 -2.19 0.01 0.00 -1.51 0.00 0.00 37.83 34.03 1a9x s LYS 2358CO 0.02 0.33 -0.13 0.42 -0.36 0.00 0.00 175.35 175.63 1a9x s ILE 2359N -0.04 1.19 0.54 5.43 1.01 -0.59 -1.32 121.20 127.41 1a9x s ILE 2359Ca -0.07 -0.52 -0.19 0.00 0.00 0.00 0.00 60.65 59.87 1a9x s ILE 2359Cb -0.15 -1.08 -0.06 0.00 0.01 0.00 0.00 42.46 41.18 1a9x s ILE 2359CO 0.05 0.37 1.07 -2.16 0.00 0.00 0.00 174.94 174.26 1a9x s PRO 2360N 0.60 3.52 -0.15 2.79 0.04 -1.26 -1.11 135.00 139.44 1a9x s PRO 2360Ca -0.14 1.37 -0.04 0.00 0.04 0.00 0.00 61.00 62.23 1a9x s PRO 2360Cb -0.16 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 1a9x s PRO 2360CO 0.04 -0.67 -0.01 0.50 0.04 0.00 0.00 177.00 176.90 1a9x s ARG 2361N -3.53 3.61 0.47 4.56 6.06 0.69 -4.86 118.95 125.96 1a9x s ARG 2361Ca 0.67 -0.47 0.06 0.00 -2.50 0.00 0.00 55.73 53.49 1a9x s ARG 2361Cb -0.18 -2.94 -0.01 0.00 0.06 0.00 0.00 34.95 31.87 1a9x s ARG 2361CO 0.27 0.33 0.26 -0.06 -2.50 0.00 0.00 175.30 173.60 1a9x s PHE 2362N 0.15 2.19 -0.24 5.12 0.40 -1.26 -1.18 117.98 123.15 1a9x s PHE 2362Ca 0.00 -0.71 0.15 0.00 -0.60 0.00 0.00 56.93 55.77 1a9x s PHE 2362Cb -0.13 -1.93 0.38 0.00 0.51 0.00 0.00 43.02 41.85 1a9x s PHE 2362CO 0.02 -0.07 1.31 0.09 0.70 0.00 0.00 175.22 177.27 1a9x n ASN 2363N -1.46 -0.32 0.13 1.36 5.03 -1.26 -4.87 115.26 113.88 1a9x n ASN 2363Ca -0.03 -2.11 0.17 0.00 0.87 0.00 0.00 54.58 53.48 1a9x n ASN 2363Cb 0.64 0.21 0.75 0.00 -1.02 0.00 0.00 39.78 40.37 1a9x n ASN 2363CO 0.00 0.00 0.00 -0.26 -1.83 0.00 0.00 177.26 175.17 1a9x h PHE 2364N 1.32 0.00 0.00 3.10 0.04 -1.94 0.26 116.94 119.71 1a9x h PHE 2364Ca -0.36 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.40 1a9x h PHE 2364Cb 1.36 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.51 1a9x h PHE 2364CO 0.10 0.00 -0.04 1.05 -0.60 0.00 0.00 178.31 178.82 1a9x h GLU 2365N 0.00 0.00 0.00 1.51 9.09 -1.98 -0.22 114.58 122.99 1a9x h GLU 2365Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.55 1a9x h GLU 2365Cb 0.65 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.75 1a9x h GLU 2365CO -0.00 0.04 0.00 1.63 0.05 0.00 0.00 179.01 180.73 1a9x n LYS 2366N -3.46 0.07 -3.28 1.06 5.02 0.90 -4.23 118.16 114.24 1a9x n LYS 2366Ca -0.02 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.01 1a9x n LYS 2366Cb 0.15 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.60 1a9x n LYS 2366CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1a9x n PHE 2367N -1.47 2.82 -0.00 2.13 3.72 -0.09 -4.99 117.46 119.58 1a9x n PHE 2367Ca 0.08 -4.01 -0.00 0.00 -0.05 0.00 0.00 57.45 53.48 1a9x n PHE 2367Cb 0.32 -0.50 -0.00 0.00 -0.94 0.00 0.00 39.48 38.36 1a9x n PHE 2367CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a9x n ALA 2368N 0.72 -0.00 1.81 4.37 0.00 -1.26 -0.94 120.51 125.21 1a9x n ALA 2368Ca 0.28 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.88 1a9x n ALA 2368Cb 0.44 0.00 0.78 0.00 0.00 0.00 0.00 19.45 20.68 1a9x n ALA 2368CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a9x n GLY 2369N -1.00 -0.62 3.78 0.00 0.00 -1.26 -4.94 105.19 101.15 1a9x n GLY 2369Ca 0.00 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 1a9x n GLY 2369CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x s ALA 2370N -2.00 2.81 -0.02 4.61 0.00 -0.11 -4.60 121.76 122.45 1a9x s ALA 2370Ca 0.44 0.75 -0.30 0.00 0.00 0.00 0.00 51.96 52.85 1a9x s ALA 2370Cb 0.21 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.96 1a9x s ALA 2370CO 0.35 -0.56 1.43 1.21 0.00 0.00 0.00 175.76 178.19 1a9x s ASN 2371N -1.79 6.83 -0.27 0.00 3.84 -1.26 -4.89 114.94 117.39 1a9x s ASN 2371Ca 0.69 2.11 0.12 0.00 0.21 0.00 0.00 52.86 55.99 1a9x s ASN 2371Cb -0.21 -2.56 0.64 0.00 -0.55 0.00 0.00 41.25 38.57 1a9x s ASN 2371CO 0.25 -0.75 1.63 -0.90 -2.79 0.00 0.00 177.10 174.54 1a9x n ASP 2372N 5.67 4.21 -4.86 -4.21 5.75 -1.26 -4.95 116.55 116.90 1a9x n ASP 2372Ca 0.14 -3.23 -0.33 0.00 -0.01 0.00 0.00 54.79 51.35 1a9x n ASP 2372Cb 0.43 -0.66 -0.06 0.00 -1.03 0.00 0.00 41.12 39.81 1a9x n ASP 2372CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1a9x s ARG 2373N -2.97 3.91 0.22 0.11 1.81 -1.26 -4.35 118.95 116.42 1a9x s ARG 2373Ca 0.49 0.43 -0.24 0.00 -1.72 0.00 0.00 55.73 54.70 1a9x s ARG 2373Cb 0.40 -2.73 -0.08 0.00 -0.45 0.00 0.00 34.95 32.09 1a9x s ARG 2373CO 0.10 0.36 0.80 -0.51 -0.68 0.00 0.00 175.30 175.37 1a9x s LEU 2374N -2.50 4.47 0.00 2.53 1.43 0.15 -4.97 118.68 119.80 1a9x s LEU 2374Ca 0.45 1.63 0.00 0.00 -1.03 0.00 0.00 54.13 55.17 1a9x s LEU 2374Cb -0.13 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.56 1a9x s LEU 2374CO 0.20 0.10 0.00 1.07 0.23 0.00 0.00 176.35 177.95 1a9x n THR 2375N 1.12 0.00 0.48 5.49 5.66 -1.26 -4.83 114.28 120.95 1a9x n THR 2375Ca -0.03 0.00 0.10 0.00 -3.05 0.00 0.00 64.05 61.07 1a9x n THR 2375Cb 0.50 0.00 0.42 0.00 -1.55 0.00 0.00 70.33 69.70 1a9x n THR 2375CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1a9x n THR 2376N 0.00 0.84 -3.69 1.09 -2.24 -1.23 -1.89 114.28 107.16 1a9x n THR 2376Ca 0.00 0.19 -0.37 0.00 -2.27 0.00 0.00 64.05 61.60 1a9x n THR 2376Cb 0.00 -1.03 -0.12 0.00 -2.10 0.00 0.00 70.33 67.09 1a9x n THR 2376CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1a9x s GLN 2377N -3.16 3.82 0.56 -0.78 0.74 -1.26 -3.96 119.66 115.63 1a9x s GLN 2377Ca 0.06 -0.39 -0.20 0.00 0.05 0.00 0.00 55.36 54.88 1a9x s GLN 2377Cb 0.10 -3.48 -0.05 0.00 1.10 0.00 0.00 33.01 30.68 1a9x s GLN 2377CO 0.36 -0.15 1.11 -1.33 -0.55 0.00 0.00 175.29 174.73 1a9x n MET 2378N 4.89 1.20 0.00 1.67 2.81 0.03 -4.91 117.12 122.81 1a9x n MET 2378Ca -0.15 0.45 0.00 0.00 -1.81 0.00 0.00 57.70 56.19 1a9x n MET 2378Cb 0.52 -2.29 0.00 0.00 -0.71 0.00 0.00 33.22 30.73 1a9x n MET 2378CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1a9x n LYS 2379N -0.92 0.63 -2.49 0.03 5.02 -1.26 -4.91 118.16 114.26 1a9x n LYS 2379Ca 0.12 -0.06 -0.33 0.00 -2.02 0.00 0.00 58.31 56.02 1a9x n LYS 2379Cb 0.45 -0.38 -0.04 0.00 -0.02 0.00 0.00 35.03 35.04 1a9x n LYS 2379CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1a9x s SER 2380N -0.11 6.51 0.00 4.39 1.04 -1.26 -4.68 113.70 119.59 1a9x s SER 2380Ca 0.00 1.72 0.12 0.00 0.48 0.00 0.00 55.95 58.27 1a9x s SER 2380Cb 0.00 -2.53 0.12 0.00 0.10 0.00 0.00 66.02 63.71 1a9x s SER 2380CO 0.00 -0.66 0.93 1.33 0.98 0.00 0.00 173.24 175.82 1a9x n VAL 2381N -1.27 0.12 -3.89 5.02 0.24 -0.33 -4.42 118.33 113.81 1a9x n VAL 2381Ca 0.08 -0.56 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 1a9x n VAL 2381Cb 0.53 1.17 0.00 0.00 -1.47 0.00 0.00 33.84 34.07 1a9x n VAL 2381CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a9x n GLY 2382N 0.68 0.54 3.52 7.63 0.00 -1.16 -4.29 105.19 112.11 1a9x n GLY 2382Ca 0.08 -0.86 -0.14 0.00 0.00 0.00 0.00 46.02 45.10 1a9x n GLY 2382CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1a9x s GLU 2383N -2.00 0.95 0.19 1.61 -1.05 -1.26 -0.22 118.70 116.92 1a9x s GLU 2383Ca 0.05 0.06 0.10 0.00 -0.15 0.00 0.00 54.97 55.03 1a9x s GLU 2383Cb -0.00 0.45 -0.04 0.00 -0.44 0.00 0.00 34.13 34.09 1a9x s GLU 2383CO -0.00 -0.33 -0.18 0.54 0.95 0.00 0.00 175.26 176.23 1a9x s VAL 2384N -1.78 2.68 0.08 1.83 0.11 -0.27 -4.20 120.40 118.86 1a9x s VAL 2384Ca -0.05 -1.91 0.05 0.00 -2.93 0.00 0.00 61.98 57.13 1a9x s VAL 2384Cb -0.00 -2.31 -0.03 0.00 -1.53 0.00 0.00 36.38 32.51 1a9x s VAL 2384CO 0.02 -0.13 -0.13 -0.32 -3.33 0.00 0.00 175.10 171.21 1a9x s MET 2385N -2.78 0.81 0.04 1.54 0.00 -0.67 -1.55 119.30 116.70 1a9x s MET 2385Ca 0.23 -0.98 -0.02 0.00 0.00 0.00 0.00 55.69 54.92 1a9x s MET 2385Cb -0.08 -0.77 -0.02 0.00 0.00 0.00 0.00 34.83 33.96 1a9x s MET 2385CO 0.12 0.16 0.01 0.00 0.00 0.00 0.00 175.02 175.32 1a9x s ALA 2386N -1.45 0.20 -0.08 4.11 0.00 0.36 -4.82 121.76 120.08 1a9x s ALA 2386Ca -0.01 -0.81 0.04 0.00 0.00 0.00 0.00 51.96 51.18 1a9x s ALA 2386Cb -0.09 0.23 -0.00 0.00 0.00 0.00 0.00 23.12 23.26 1a9x s ALA 2386CO 0.02 -0.30 -0.22 0.42 0.00 0.00 0.00 175.76 175.69 1a9x s ILE 2387N -2.80 1.84 0.05 0.00 1.01 -1.26 -1.29 121.20 118.74 1a9x s ILE 2387Ca -0.03 -0.91 -0.07 0.00 0.00 0.00 0.00 60.65 59.64 1a9x s ILE 2387Cb -0.00 -1.59 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 1a9x s ILE 2387CO -0.06 0.51 0.13 -0.83 0.00 0.00 0.00 174.94 174.70 1a9x s GLY 2388N 0.22 0.13 0.52 6.18 0.00 -0.95 -4.71 107.32 108.71 1a9x s GLY 2388Ca -0.12 -0.51 0.31 0.00 0.00 0.00 0.00 44.72 44.39 1a9x s GLY 2388CO 0.06 -0.66 1.96 3.21 0.00 0.00 0.00 173.10 177.67 1a9x h ARG 2389N 3.45 0.00 -5.06 2.90 2.47 -1.86 0.87 114.38 117.15 1a9x h ARG 2389Ca -0.33 0.00 -0.37 0.00 -1.26 0.00 0.00 59.98 58.03 1a9x h ARG 2389Cb 1.19 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 29.36 1a9x h ARG 2389CO 0.51 0.08 -0.66 0.95 0.56 0.00 0.00 179.97 181.41 1a9x s THR 2390N -3.73 1.00 0.15 2.04 -4.23 -1.26 -4.51 115.64 105.10 1a9x s THR 2390Ca 0.00 -2.03 -0.16 0.00 -1.18 0.00 0.00 61.69 58.32 1a9x s THR 2390Cb 0.10 -2.29 0.01 0.00 1.34 0.00 0.00 72.50 71.65 1a9x s THR 2390CO 0.57 -0.36 1.78 -0.61 -0.54 0.00 0.00 174.62 175.46 1a9x h GLN 2391N 2.51 0.38 -0.52 3.99 5.75 -1.91 -1.06 115.11 124.25 1a9x h GLN 2391Ca -0.38 -0.02 0.06 0.00 -0.15 0.00 0.00 58.65 58.15 1a9x h GLN 2391Cb 1.22 -0.09 -0.05 0.00 1.07 0.00 0.00 27.48 29.63 1a9x h GLN 2391CO 0.64 0.25 0.23 1.96 -2.65 0.00 0.00 178.83 179.27 1a9x h GLN 2392N 0.39 0.44 -0.44 1.69 4.20 -1.95 0.53 115.11 119.97 1a9x h GLN 2392Ca 0.15 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.77 1a9x h GLN 2392Cb 0.04 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1a9x h GLN 2392CO -0.09 0.29 0.05 1.49 -0.67 0.00 0.00 178.83 179.90 1a9x h GLU 2393N 0.45 0.74 -0.04 1.46 4.81 -1.58 -2.45 114.58 117.97 1a9x h GLU 2393Ca 0.24 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1a9x h GLU 2393Cb 0.20 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 1a9x h GLU 2393CO -0.20 0.78 0.02 1.03 -0.73 0.00 0.00 179.01 179.91 1a9x h SER 2394N 0.60 0.04 -0.39 1.04 0.87 -0.62 -1.55 113.55 113.54 1a9x h SER 2394Ca 0.13 -0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.71 1a9x h SER 2394Cb 0.41 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.32 1a9x h SER 2394CO 0.01 0.06 0.13 0.25 -0.53 0.00 0.00 176.83 176.76 1a9x h LEU 2395N 0.02 0.13 -0.36 2.23 5.85 -0.91 -0.42 115.31 121.85 1a9x h LEU 2395Ca 0.01 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 1a9x h LEU 2395Cb 0.03 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1a9x h LEU 2395CO -0.00 0.11 0.01 1.56 -0.34 0.00 0.00 178.44 179.78 1a9x h GLN 2396N 0.29 0.62 -0.54 1.25 4.20 -1.35 -0.28 115.11 119.30 1a9x h GLN 2396Ca 0.18 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 1a9x h GLN 2396Cb 0.17 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1a9x h GLN 2396CO -0.19 0.73 0.13 0.87 -0.67 0.00 0.00 178.83 179.70 1a9x h LYS 2397N 0.44 0.82 -0.68 1.46 1.57 -1.04 -1.97 116.57 117.18 1a9x h LYS 2397Ca 0.10 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1a9x h LYS 2397Cb 0.44 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 1a9x h LYS 2397CO 0.02 0.74 0.38 0.00 -0.57 0.00 0.00 179.45 180.02 1a9x h ALA 2398N 1.35 0.87 -0.35 3.86 0.00 -0.38 -2.13 119.26 122.47 1a9x h ALA 2398Ca 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1a9x h ALA 2398Cb 0.29 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1a9x h ALA 2398CO -0.00 0.37 0.23 -0.07 0.00 0.00 0.00 179.25 179.78 1a9x h LEU 2399N 0.93 0.40 0.00 0.00 3.38 -0.53 -1.53 115.31 117.96 1a9x h LEU 2399Ca 0.24 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1a9x h LEU 2399Cb 0.02 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1a9x h LEU 2399CO -0.04 0.29 0.00 -2.11 0.09 0.00 0.00 178.44 176.67 1a9x n ARG 2400N -4.85 0.64 0.00 1.13 1.85 -0.79 -2.79 116.66 111.86 1a9x n ARG 2400Ca -0.00 0.02 0.09 0.00 -1.00 0.00 0.00 57.85 56.95 1a9x n ARG 2400Cb 0.03 -1.50 0.03 0.00 -1.05 0.00 0.00 32.46 29.96 1a9x n ARG 2400CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1a9x n GLY 2401N 0.71 0.14 0.00 2.89 0.00 -0.63 -4.53 105.19 103.77 1a9x n GLY 2401Ca 0.17 -0.51 0.08 0.00 0.00 0.00 0.00 46.02 45.76 1a9x n GLY 2401CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1a9x n LEU 2402N 0.34 0.00 -2.48 0.99 7.94 -0.90 -4.45 117.00 118.44 1a9x n LEU 2402Ca 0.08 0.27 -0.18 0.00 -1.11 0.00 0.00 56.01 55.08 1a9x n LEU 2402Cb 0.40 -0.27 -0.01 0.00 0.53 0.00 0.00 43.42 44.07 1a9x n LEU 2402CO 0.18 -0.12 -0.20 -0.62 -1.11 0.00 0.00 177.39 175.51 1a9x n GLU 2403N -1.27 -2.13 -0.33 1.96 -0.58 -1.26 -4.83 120.64 112.20 1a9x n GLU 2403Ca 0.08 0.83 0.08 0.00 -0.42 0.00 0.00 57.16 57.73 1a9x n GLU 2403Cb 0.13 -5.49 0.23 0.00 -0.57 0.00 0.00 31.44 25.74 1a9x n GLU 2403CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1a9x n VAL 2404N -3.80 1.34 -0.32 2.62 0.24 -1.26 -4.96 118.33 112.18 1a9x n VAL 2404Ca -0.20 -1.16 0.00 0.00 -2.04 0.00 0.00 64.34 60.94 1a9x n VAL 2404Cb 0.65 0.32 0.00 0.00 -1.47 0.00 0.00 33.84 33.35 1a9x n VAL 2404CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a9x n GLY 2405N 0.67 1.01 3.83 7.63 0.00 -1.26 -5.05 105.19 112.02 1a9x n GLY 2405Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1a9x n GLY 2405CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x s ALA 2406N -2.81 3.02 0.00 4.61 0.00 -1.26 -4.94 121.76 120.38 1a9x s ALA 2406Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1a9x s ALA 2406Cb 0.00 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.98 1a9x s ALA 2406CO 0.00 -0.19 0.62 0.25 0.00 0.00 0.00 175.76 176.43 1a9x n THR 2407N -1.34 0.28 0.00 0.00 -2.24 -1.26 -4.47 114.28 105.24 1a9x n THR 2407Ca 0.07 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1a9x n THR 2407Cb 0.54 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 1a9x n THR 2407CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a9x n GLY 2408N -0.14 0.11 2.58 3.38 0.00 -1.26 -4.27 105.19 105.59 1a9x n GLY 2408Ca 0.00 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 1a9x n GLY 2408CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1a9x n PHE 2409N 0.00 3.12 -2.26 1.61 3.72 -1.26 -4.90 117.46 117.49 1a9x n PHE 2409Ca 0.00 -3.02 -0.36 0.00 -0.05 0.00 0.00 57.45 54.02 1a9x n PHE 2409Cb 0.00 -2.54 -0.00 0.00 -0.94 0.00 0.00 39.48 36.00 1a9x n PHE 2409CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1a9x s ASP 2410N 2.82 5.94 0.44 4.37 1.11 -1.26 -4.95 116.67 125.13 1a9x s ASP 2410Ca 0.55 2.24 -0.19 0.00 0.18 0.00 0.00 52.55 55.33 1a9x s ASP 2410Cb 0.15 -2.59 -0.10 0.00 1.07 0.00 0.00 42.92 41.45 1a9x s ASP 2410CO -0.08 -1.07 0.93 -2.16 1.18 0.00 0.00 175.17 173.97 1a9x s PRO 2411N -2.99 4.15 -0.15 8.23 0.04 -1.26 -4.92 135.00 138.10 1a9x s PRO 2411Ca 0.68 1.04 0.14 0.00 0.04 0.00 0.00 61.00 62.90 1a9x s PRO 2411Cb -0.26 -2.20 -0.20 0.00 0.04 0.00 0.00 34.50 31.88 1a9x s PRO 2411CO 0.31 -0.06 0.08 1.63 0.04 0.00 0.00 177.00 179.00 1a9x n LYS 2412N -0.80 1.36 -4.41 4.56 5.02 -1.26 -4.99 118.16 117.64 1a9x n LYS 2412Ca 0.07 -0.02 -0.23 0.00 -2.02 0.00 0.00 58.31 56.11 1a9x n LYS 2412Cb 0.54 -1.41 -0.13 0.00 -0.02 0.00 0.00 35.03 34.01 1a9x n LYS 2412CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1a9x s VAL 2413N -2.43 1.45 0.64 -0.18 -7.23 -1.26 -5.14 120.40 106.23 1a9x s VAL 2413Ca -0.08 -1.24 -0.12 0.00 -1.81 0.00 0.00 61.98 58.73 1a9x s VAL 2413Cb 0.05 -1.30 -0.02 0.00 0.56 0.00 0.00 36.38 35.67 1a9x s VAL 2413CO 0.65 0.03 1.04 -0.94 -0.31 0.00 0.00 175.10 175.57 1a9x s SER 2414N -1.42 5.81 0.26 4.85 1.04 -1.26 -4.97 113.70 118.01 1a9x s SER 2414Ca 0.04 1.60 -0.01 0.00 0.48 0.00 0.00 55.95 58.07 1a9x s SER 2414Cb -0.09 -2.50 0.33 0.00 0.10 0.00 0.00 66.02 63.86 1a9x s SER 2414CO 0.02 -1.15 1.71 -0.07 0.98 0.00 0.00 173.24 174.74 1a9x h LEU 2415N -0.20 0.66 -1.95 2.42 3.38 -1.99 -3.04 115.31 114.59 1a9x h LEU 2415Ca -0.45 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1a9x h LEU 2415Cb 1.20 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1a9x h LEU 2415CO 0.59 0.83 0.00 -0.90 0.09 0.00 0.00 178.44 179.04 1a9x n ASP 2416N -4.15 2.89 -4.52 -0.43 5.68 -1.26 -4.82 116.55 109.94 1a9x n ASP 2416Ca 0.01 -2.26 -0.43 0.00 -0.50 0.00 0.00 54.79 51.61 1a9x n ASP 2416Cb 0.37 -0.44 -0.05 0.00 -1.14 0.00 0.00 41.12 39.86 1a9x n ASP 2416CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1a9x s ASP 2417N -0.71 6.35 0.64 -1.12 -1.08 -1.15 -4.88 116.67 114.73 1a9x s ASP 2417Ca 0.28 -0.33 0.34 0.00 -0.52 0.00 0.00 52.55 52.32 1a9x s ASP 2417Cb 0.18 -2.39 1.86 0.00 -1.46 0.00 0.00 42.92 41.12 1a9x s ASP 2417CO 0.14 -1.02 2.09 -0.65 0.52 0.00 0.00 175.17 176.24 1a9x h PRO 2418N 9.10 0.00 -0.00 4.34 0.11 -1.90 -0.25 132.00 143.39 1a9x h PRO 2418Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1a9x h PRO 2418Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1a9x h PRO 2418CO 1.01 0.00 -0.79 0.39 -0.21 0.00 0.00 178.00 178.39 1a9x n GLU 2419N -3.20 0.26 -0.27 1.05 1.02 -1.26 -4.58 120.64 113.65 1a9x n GLU 2419Ca -0.01 -0.20 0.09 0.00 -0.02 0.00 0.00 57.16 57.01 1a9x n GLU 2419Cb 0.29 -1.50 0.22 0.00 -0.02 0.00 0.00 31.44 30.44 1a9x n GLU 2419CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a9x h ALA 2420N 3.19 1.07 -0.07 0.62 0.00 -1.36 -0.90 119.26 121.81 1a9x h ALA 2420Ca 0.00 0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1a9x h ALA 2420Cb 0.55 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1a9x h ALA 2420CO 0.00 -0.41 0.07 -0.07 0.00 0.00 0.00 179.25 178.85 1a9x h LEU 2421N 0.22 0.00 0.02 0.00 3.38 -1.81 0.23 115.31 117.35 1a9x h LEU 2421Ca 0.48 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.26 1a9x h LEU 2421Cb 0.89 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.65 1a9x h LEU 2421CO -0.60 0.00 -0.73 0.74 0.09 0.00 0.00 178.44 177.93 1a9x h THR 2422N 0.00 1.40 -0.12 0.22 2.02 -1.50 0.05 112.91 114.98 1a9x h THR 2422Ca 0.03 -2.17 -0.02 0.00 0.77 0.00 0.00 66.41 65.03 1a9x h THR 2422Cb 0.18 2.62 -0.00 0.00 -1.74 0.00 0.00 68.15 69.21 1a9x h THR 2422CO -0.00 0.64 0.00 0.11 0.37 0.00 0.00 175.52 176.64 1a9x h LYS 2423N -0.02 0.21 -0.15 6.66 1.57 -1.26 -2.37 116.57 121.21 1a9x h LYS 2423Ca -0.10 -0.07 0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1a9x h LYS 2423Cb 1.44 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.68 1a9x h LYS 2423CO 0.14 0.45 -0.14 0.82 -0.57 0.00 0.00 179.45 180.15 1a9x h ILE 2424N -0.05 0.61 -0.82 1.86 2.04 -0.56 -1.61 117.51 118.98 1a9x h ILE 2424Ca 0.03 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.99 1a9x h ILE 2424Cb 0.35 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 1a9x h ILE 2424CO 0.01 0.00 0.53 -0.09 0.00 0.00 0.00 178.15 178.60 1a9x h ARG 2425N -0.16 0.73 -0.19 2.37 2.43 -0.91 -1.93 114.38 116.72 1a9x h ARG 2425Ca 0.10 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.15 1a9x h ARG 2425Cb 0.31 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1a9x h ARG 2425CO -0.25 0.48 -0.20 -0.09 -1.51 0.00 0.00 179.97 178.41 1a9x h ARG 2426N 0.75 0.47 0.00 0.20 1.12 -0.85 -1.55 114.38 114.52 1a9x h ARG 2426Ca 0.38 -0.25 -0.02 0.00 -1.11 0.00 0.00 59.98 58.98 1a9x h ARG 2426Cb 0.47 0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 30.43 1a9x h ARG 2426CO -0.15 0.82 -0.08 0.93 -3.11 0.00 0.00 179.97 178.38 1a9x h GLU 2427N 0.13 0.00 0.11 0.20 4.39 -0.76 -1.24 114.58 117.42 1a9x h GLU 2427Ca 0.03 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.42 1a9x h GLU 2427Cb 0.74 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 1a9x h GLU 2427CO 0.05 0.08 -1.61 -0.07 -1.16 0.00 0.00 179.01 176.30 1a9x h LEU 2428N 0.00 0.38 -0.40 1.33 4.07 -1.28 -3.31 115.31 116.10 1a9x h LEU 2428Ca -0.00 -0.86 -0.07 0.00 0.08 0.00 0.00 57.88 57.04 1a9x h LEU 2428Cb 0.37 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.97 1a9x h LEU 2428CO 0.01 1.70 -0.01 0.50 -1.08 0.00 0.00 178.44 179.56 1a9x h LYS 2429N -0.22 0.72 -3.19 1.13 3.64 -1.16 -3.34 116.57 114.14 1a9x h LYS 2429Ca -0.35 -0.23 -0.59 0.00 -1.27 0.00 0.00 60.65 58.20 1a9x h LYS 2429Cb 1.83 -0.06 -0.40 0.00 -0.41 0.00 0.00 32.23 33.19 1a9x h LYS 2429CO 0.05 0.81 -0.76 -0.51 -2.27 0.00 0.00 179.45 176.77 1a9x s ASP 2430N -6.23 3.74 0.19 4.20 1.01 -0.48 -4.86 116.67 114.24 1a9x s ASP 2430Ca -0.13 -2.11 -0.33 0.00 0.71 0.00 0.00 52.55 50.70 1a9x s ASP 2430Cb 0.10 -0.87 -0.13 0.00 1.01 0.00 0.00 42.92 43.03 1a9x s ASP 2430CO 0.80 -0.34 1.61 0.00 0.21 0.00 0.00 175.17 177.44 1a9x n ALA 2431N 4.22 1.85 -3.74 5.23 0.00 -1.24 -4.50 120.51 122.32 1a9x n ALA 2431Ca 0.04 0.43 -0.01 0.00 0.00 0.00 0.00 53.44 53.89 1a9x n ALA 2431Cb 0.38 -2.40 -0.00 0.00 0.00 0.00 0.00 19.45 17.43 1a9x n ALA 2431CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a9x n GLY 2432N 3.39 3.55 0.12 0.00 0.00 -1.26 0.33 105.19 111.31 1a9x n GLY 2432Ca 0.16 -2.19 0.12 0.00 0.00 0.00 0.00 46.02 44.11 1a9x n GLY 2432CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x n ALA 2433N -2.95 1.91 1.13 4.61 0.00 -1.26 -3.39 120.51 120.55 1a9x n ALA 2433Ca -0.01 0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.60 1a9x n ALA 2433Cb 0.02 -1.42 0.18 0.00 0.00 0.00 0.00 19.45 18.23 1a9x n ALA 2433CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1a9x n ASP 2434N -2.25 2.05 -0.30 0.00 8.00 -1.26 -4.69 116.55 118.10 1a9x n ASP 2434Ca 0.03 -1.54 0.08 0.00 0.71 0.00 0.00 54.79 54.08 1a9x n ASP 2434Cb 0.31 0.20 0.20 0.00 -0.02 0.00 0.00 41.12 41.81 1a9x n ASP 2434CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1a9x h ARG 2435N 2.87 0.06 -0.78 -1.24 2.43 -1.82 -0.58 114.38 115.31 1a9x h ARG 2435Ca 0.00 -0.00 0.15 0.00 -0.81 0.00 0.00 59.98 59.31 1a9x h ARG 2435Cb 0.74 -0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 30.18 1a9x h ARG 2435CO 0.00 0.04 0.33 0.97 -1.51 0.00 0.00 179.97 179.80 1a9x h ILE 2436N 0.06 0.65 0.00 1.20 6.09 -1.89 0.23 117.51 123.86 1a9x h ILE 2436Ca 0.48 -0.16 -0.10 0.00 -1.37 0.00 0.00 64.86 63.72 1a9x h ILE 2436Cb 0.90 0.14 -0.01 0.00 0.47 0.00 0.00 36.82 38.32 1a9x h ILE 2436CO -0.80 0.09 -0.47 -0.50 -3.07 0.00 0.00 178.15 173.40 1a9x h TRP 2437N 0.47 0.00 0.00 2.19 6.55 -1.47 -2.70 115.95 120.99 1a9x h TRP 2437Ca 0.43 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.27 1a9x h TRP 2437Cb 0.66 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.96 1a9x h TRP 2437CO -0.15 0.47 0.00 1.88 -1.05 0.00 0.00 178.44 179.58 1a9x h TYR 2438N 0.00 0.00 -0.16 0.49 0.05 -0.20 -2.73 116.97 114.43 1a9x h TYR 2438Ca -0.00 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.56 1a9x h TYR 2438Cb 1.08 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.82 1a9x h TYR 2438CO 0.00 0.00 -0.75 0.82 -1.05 0.00 0.00 178.16 177.18 1a9x h ILE 2439N 0.00 1.29 -0.51 -2.88 2.04 -0.67 -1.74 117.51 115.05 1a9x h ILE 2439Ca 0.00 -1.97 -0.10 0.00 1.00 0.00 0.00 64.86 63.79 1a9x h ILE 2439Cb 0.83 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.86 1a9x h ILE 2439CO 0.00 0.62 -0.08 0.00 0.00 0.00 0.00 178.15 178.69 1a9x h ALA 2440N 0.63 0.69 -0.21 1.87 0.00 -1.56 -2.44 119.26 118.24 1a9x h ALA 2440Ca -0.04 -0.33 0.06 0.00 0.00 0.00 0.00 54.91 54.60 1a9x h ALA 2440Cb 1.37 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1a9x h ALA 2440CO 0.15 0.57 0.15 -0.44 0.00 0.00 0.00 179.25 179.68 1a9x h ASP 2441N 0.81 0.00 0.03 0.00 3.32 -1.37 -0.82 116.42 118.39 1a9x h ASP 2441Ca 0.13 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.95 1a9x h ASP 2441Cb 0.63 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.19 1a9x h ASP 2441CO 0.04 0.00 -0.86 0.00 -1.72 0.00 0.00 179.24 176.70 1a9x h ALA 2442N 1.89 0.32 -0.30 3.45 0.00 -0.86 -1.76 119.26 122.01 1a9x h ALA 2442Ca 0.10 -0.64 -0.13 0.00 0.00 0.00 0.00 54.91 54.23 1a9x h ALA 2442Cb 0.40 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1a9x h ALA 2442CO -0.00 0.72 -0.36 0.74 0.00 0.00 0.00 179.25 180.35 1a9x h PHE 2443N 0.41 0.78 0.00 0.00 0.04 -0.82 -1.05 116.94 116.31 1a9x h PHE 2443Ca -0.07 -0.22 -0.03 0.00 2.80 0.00 0.00 57.97 60.45 1a9x h PHE 2443Cb 1.49 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 39.46 1a9x h PHE 2443CO 0.08 0.93 -0.16 0.00 -0.60 0.00 0.00 178.31 178.56 1a9x h ARG 2444N 0.56 0.00 -0.25 1.51 3.08 -1.18 -2.84 114.38 115.26 1a9x h ARG 2444Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1a9x h ARG 2444Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.92 1a9x h ARG 2444CO 0.08 0.16 0.00 0.00 -1.07 0.00 0.00 179.97 179.13 1a9x n ALA 2445N -2.38 2.48 0.00 0.04 0.00 -0.54 -4.92 120.51 115.18 1a9x n ALA 2445Ca -0.02 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1a9x n ALA 2445Cb 0.24 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1a9x n ALA 2445CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a9x n GLY 2446N 1.27 0.68 3.77 0.00 0.00 -1.01 -5.05 105.19 104.85 1a9x n GLY 2446Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1a9x n GLY 2446CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a9x s LEU 2447N 0.00 4.39 0.58 0.99 1.43 -0.51 -5.02 118.68 120.54 1a9x s LEU 2447Ca 0.00 2.34 -0.03 0.00 -1.03 0.00 0.00 54.13 55.40 1a9x s LEU 2447Cb 0.00 -3.79 0.02 0.00 0.03 0.00 0.00 46.19 42.45 1a9x s LEU 2447CO 0.00 -0.39 0.85 -0.94 0.23 0.00 0.00 176.35 176.10 1a9x s SER 2448N -0.95 5.42 0.16 2.29 1.04 -1.26 -4.49 113.70 115.90 1a9x s SER 2448Ca 0.50 0.43 -0.15 0.00 0.48 0.00 0.00 55.95 57.21 1a9x s SER 2448Cb -0.32 -1.38 0.07 0.00 0.10 0.00 0.00 66.02 64.49 1a9x s SER 2448CO 0.41 -1.12 1.78 0.58 0.98 0.00 0.00 173.24 175.88 1a9x h VAL 2449N -0.10 0.99 -0.92 5.02 2.07 -1.96 -0.56 116.25 120.78 1a9x h VAL 2449Ca -0.45 -0.15 0.10 0.00 0.82 0.00 0.00 66.70 67.02 1a9x h VAL 2449Cb 1.28 0.51 -0.07 0.00 -1.52 0.00 0.00 31.29 31.48 1a9x h VAL 2449CO 0.58 0.08 0.60 0.44 0.02 0.00 0.00 177.57 179.29 1a9x h ASP 2450N 0.44 0.86 0.05 0.57 3.32 -1.98 0.37 116.42 120.05 1a9x h ASP 2450Ca 0.18 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 1a9x h ASP 2450Cb 0.07 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1a9x h ASP 2450CO -0.12 0.50 -0.02 1.23 -1.72 0.00 0.00 179.24 179.11 1a9x h GLY 2451N 0.94 -0.07 0.96 2.75 0.00 -1.69 -0.91 103.07 105.05 1a9x h GLY 2451Ca 0.43 0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.78 1a9x h GLY 2451CO -0.19 -0.03 0.14 -2.08 0.00 0.00 0.00 176.54 174.39 1a9x h VAL 2452N -0.33 1.11 -0.44 4.60 2.07 -0.65 -2.70 116.25 119.92 1a9x h VAL 2452Ca -0.01 -0.29 0.07 0.00 0.82 0.00 0.00 66.70 67.29 1a9x h VAL 2452Cb 0.29 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 1a9x h VAL 2452CO 0.01 0.11 0.09 0.15 0.02 0.00 0.00 177.57 177.95 1a9x h PHE 2453N 0.30 0.15 -0.22 1.57 3.57 -0.20 -1.51 116.94 120.61 1a9x h PHE 2453Ca 0.09 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1a9x h PHE 2453Cb 0.05 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1a9x h PHE 2453CO -0.04 0.01 0.09 -0.91 -2.23 0.00 0.00 178.31 175.24 1a9x h ASN 2454N 0.23 0.27 0.18 0.41 2.35 -0.87 0.12 115.58 118.26 1a9x h ASN 2454Ca 0.21 -0.02 -0.25 0.00 -0.55 0.00 0.00 56.30 55.69 1a9x h ASN 2454Cb 0.26 -0.07 0.02 0.00 0.05 0.00 0.00 38.32 38.59 1a9x h ASN 2454CO -0.28 0.25 -1.14 -0.07 -1.65 0.00 0.00 177.43 174.54 1a9x h LEU 2455N 0.30 0.59 0.00 1.61 3.38 -1.02 -3.40 115.31 116.77 1a9x h LEU 2455Ca 0.08 -0.93 -0.09 0.00 0.09 0.00 0.00 57.88 57.03 1a9x h LEU 2455Cb 0.06 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1a9x h LEU 2455CO -0.01 1.54 -1.57 0.35 0.09 0.00 0.00 178.44 178.84 1a9x n THR 2456N -3.95 0.69 -1.20 0.22 -2.24 -0.66 -4.26 114.28 102.88 1a9x n THR 2456Ca -0.17 -0.61 -0.07 0.00 -2.27 0.00 0.00 64.05 60.93 1a9x n THR 2456Cb 0.93 -0.37 -0.03 0.00 -2.10 0.00 0.00 70.33 68.77 1a9x n THR 2456CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1a9x n ASN 2457N -2.62 -5.36 -4.70 3.42 4.13 0.02 -4.62 115.26 105.53 1a9x n ASN 2457Ca -0.08 0.17 -0.41 0.00 1.68 0.00 0.00 54.58 55.94 1a9x n ASN 2457Cb 0.71 -3.47 -0.04 0.00 -1.54 0.00 0.00 39.78 35.44 1a9x n ASN 2457CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1a9x s ILE 2458N -1.75 4.92 0.16 2.41 1.01 -1.26 -4.55 121.20 122.13 1a9x s ILE 2458Ca 0.00 1.80 -0.33 0.00 0.00 0.00 0.00 60.65 62.11 1a9x s ILE 2458Cb 0.00 -4.20 -0.16 0.00 0.01 0.00 0.00 42.46 38.11 1a9x s ILE 2458CO 0.00 0.15 1.14 -0.67 0.00 0.00 0.00 174.94 175.57 1a9x n ASP 2459N 4.18 1.18 0.24 3.58 -0.08 -1.26 -4.72 116.55 119.67 1a9x n ASP 2459Ca 0.04 1.14 0.17 0.00 -1.51 0.00 0.00 54.79 54.63 1a9x n ASP 2459Cb 0.51 -1.19 0.87 0.00 2.34 0.00 0.00 41.12 43.65 1a9x n ASP 2459CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1a9x h ARG 2460N 3.33 0.00 -0.59 -0.67 3.08 -1.95 0.31 114.38 117.89 1a9x h ARG 2460Ca -0.43 0.00 0.11 0.00 0.07 0.00 0.00 59.98 59.72 1a9x h ARG 2460Cb 1.35 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.37 1a9x h ARG 2460CO 0.70 0.00 0.40 2.35 -1.07 0.00 0.00 179.97 182.34 1a9x h TRP 2461N 0.00 0.37 0.15 3.04 7.01 -2.01 0.46 115.95 124.97 1a9x h TRP 2461Ca 0.06 0.01 -0.32 0.00 2.11 0.00 0.00 58.89 60.74 1a9x h TRP 2461Cb 0.34 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 27.29 1a9x h TRP 2461CO 0.00 0.17 -1.65 0.74 -2.79 0.00 0.00 178.44 174.91 1a9x h PHE 2462N 0.34 0.58 -0.71 2.65 0.04 -1.29 -3.34 116.94 115.21 1a9x h PHE 2462Ca 0.28 -0.42 0.04 0.00 2.80 0.00 0.00 57.97 60.67 1a9x h PHE 2462Cb 0.62 -0.02 -0.05 0.00 2.20 0.00 0.00 35.95 38.70 1a9x h PHE 2462CO -0.00 1.65 0.43 -0.07 -0.60 0.00 0.00 178.31 179.71 1a9x h LEU 2463N -0.07 0.68 -1.59 1.54 3.38 -0.91 -1.69 115.31 116.66 1a9x h LEU 2463Ca -0.34 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 1a9x h LEU 2463Cb 1.95 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.56 1a9x h LEU 2463CO 0.12 0.46 0.04 -0.37 0.09 0.00 0.00 178.44 178.77 1a9x h VAL 2464N 0.82 1.11 -0.28 1.22 -1.51 -1.11 -0.09 116.25 116.41 1a9x h VAL 2464Ca 0.30 -0.41 -0.10 0.00 -1.23 0.00 0.00 66.70 65.25 1a9x h VAL 2464Cb 0.09 0.92 -0.01 0.00 -2.13 0.00 0.00 31.29 30.15 1a9x h VAL 2464CO -0.14 0.14 -0.25 1.56 -1.23 0.00 0.00 177.57 177.66 1a9x h GLN 2465N 0.30 0.55 -0.06 5.19 4.20 -1.45 -1.59 115.11 122.25 1a9x h GLN 2465Ca 0.07 -0.21 -0.04 0.00 0.06 0.00 0.00 58.65 58.54 1a9x h GLN 2465Cb 0.15 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1a9x h GLN 2465CO -0.00 0.75 -0.10 0.82 -0.67 0.00 0.00 178.83 179.63 1a9x h ILE 2466N 0.48 1.41 -0.65 2.54 2.04 -0.89 -2.82 117.51 119.61 1a9x h ILE 2466Ca 0.07 -1.38 0.10 0.00 1.00 0.00 0.00 64.86 64.64 1a9x h ILE 2466Cb 0.68 2.19 -0.07 0.00 -0.74 0.00 0.00 36.82 38.88 1a9x h ILE 2466CO 0.05 0.38 0.28 -0.08 0.00 0.00 0.00 178.15 178.78 1a9x h GLU 2467N -0.32 0.46 -0.60 2.37 4.81 -0.90 -1.45 114.58 118.95 1a9x h GLU 2467Ca 0.00 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1a9x h GLU 2467Cb 0.67 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 1a9x h GLU 2467CO 0.02 0.31 0.37 1.49 -0.73 0.00 0.00 179.01 180.47 1a9x h GLU 2468N 0.47 0.81 -0.49 1.92 4.81 -1.28 -1.50 114.58 119.33 1a9x h GLU 2468Ca 0.33 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.45 1a9x h GLU 2468Cb 0.40 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1a9x h GLU 2468CO -0.30 0.56 0.10 -0.07 -0.73 0.00 0.00 179.01 178.56 1a9x h LEU 2469N 0.83 0.71 -0.37 1.64 3.38 -1.01 -1.67 115.31 118.80 1a9x h LEU 2469Ca 0.22 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1a9x h LEU 2469Cb -0.05 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1a9x h LEU 2469CO -0.04 0.71 0.07 0.58 0.09 0.00 0.00 178.44 179.85 1a9x h VAL 2470N 0.73 1.23 -0.38 1.22 2.07 -0.85 -1.15 116.25 119.12 1a9x h VAL 2470Ca 0.16 -0.81 -0.10 0.00 0.82 0.00 0.00 66.70 66.77 1a9x h VAL 2470Cb 0.30 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1a9x h VAL 2470CO 0.00 0.28 -0.18 0.03 0.02 0.00 0.00 177.57 177.72 1a9x h ARG 2471N 0.46 0.72 -0.35 1.57 2.47 -1.27 -1.02 114.38 116.96 1a9x h ARG 2471Ca 0.11 -0.26 -0.05 0.00 -1.26 0.00 0.00 59.98 58.52 1a9x h ARG 2471Cb 0.33 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.59 1a9x h ARG 2471CO 0.00 0.85 -0.01 -0.07 0.56 0.00 0.00 179.97 181.31 1a9x h LEU 2472N 0.64 0.52 -0.66 3.04 3.38 -0.97 -2.11 115.31 119.15 1a9x h LEU 2472Ca 0.10 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1a9x h LEU 2472Cb 0.66 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1a9x h LEU 2472CO 0.05 0.60 0.08 -0.33 0.09 0.00 0.00 178.44 178.93 1a9x h GLU 2473N 0.53 1.11 -0.90 1.13 5.08 -0.54 -1.27 114.58 119.72 1a9x h GLU 2473Ca 0.11 -0.31 0.07 0.00 -1.00 0.00 0.00 59.36 58.23 1a9x h GLU 2473Cb 0.36 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 1a9x h GLU 2473CO 0.01 1.03 0.59 0.93 -1.00 0.00 0.00 179.01 180.57 1a9x h GLU 2474N 1.03 0.96 -0.17 2.33 5.08 -0.57 0.21 114.58 123.45 1a9x h GLU 2474Ca 0.20 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 1a9x h GLU 2474Cb 0.47 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1a9x h GLU 2474CO 0.02 0.64 -0.16 -0.22 -1.00 0.00 0.00 179.01 178.29 1a9x h LYS 2475N 0.99 0.41 -0.87 2.33 3.64 -1.02 -0.92 116.57 121.13 1a9x h LYS 2475Ca 0.40 -0.21 -0.03 0.00 -1.27 0.00 0.00 60.65 59.54 1a9x h LYS 2475Cb 0.26 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 1a9x h LYS 2475CO -0.16 0.77 0.44 0.28 -2.27 0.00 0.00 179.45 178.50 1a9x h VAL 2476N 0.06 1.26 -0.96 2.00 2.07 -0.56 -0.00 116.25 120.12 1a9x h VAL 2476Ca 0.03 -0.71 0.01 0.00 0.82 0.00 0.00 66.70 66.86 1a9x h VAL 2476Cb 0.68 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 1a9x h VAL 2476CO 0.04 0.31 0.63 0.00 0.02 0.00 0.00 177.57 178.57 1a9x h ALA 2477N 1.24 1.22 -0.15 1.67 0.00 -0.40 -1.09 119.26 121.76 1a9x h ALA 2477Ca 0.30 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1a9x h ALA 2477Cb 0.09 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1a9x h ALA 2477CO -0.04 0.59 0.02 1.49 0.00 0.00 0.00 179.25 181.31 1a9x h GLU 2478N 1.29 0.26 0.00 0.00 4.81 -0.41 -3.31 114.58 117.22 1a9x h GLU 2478Ca 0.36 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1a9x h GLU 2478Cb -0.12 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.23 1a9x h GLU 2478CO -0.08 0.44 -0.23 -0.39 -0.73 0.00 0.00 179.01 178.01 1a9x h VAL 2479N 0.04 0.00 -2.15 0.32 -1.51 -0.86 -3.50 116.25 108.58 1a9x h VAL 2479Ca 0.05 -0.93 0.26 0.00 -1.23 0.00 0.00 66.70 64.85 1a9x h VAL 2479Cb 0.31 1.81 -0.07 0.00 -2.13 0.00 0.00 31.29 31.21 1a9x h VAL 2479CO 0.00 0.00 -0.35 0.61 -1.23 0.00 0.00 177.57 176.60 1a9x n GLY 2480N 1.15 -1.70 0.32 5.19 0.00 -0.43 -1.89 105.19 107.84 1a9x n GLY 2480Ca 0.03 -1.28 0.20 0.00 0.00 0.00 0.00 46.02 44.97 1a9x n GLY 2480CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1a9x h ILE 2481N -0.90 0.20 -0.40 -0.61 2.10 -1.86 -1.45 117.51 114.58 1a9x h ILE 2481Ca 0.02 0.00 -0.12 0.00 1.08 0.00 0.00 64.86 65.84 1a9x h ILE 2481Cb 0.88 1.00 -0.01 0.00 -1.09 0.00 0.00 36.82 37.60 1a9x h ILE 2481CO 0.01 0.00 -0.24 0.74 -1.08 0.00 0.00 178.15 177.58 1a9x h THR 2482N 0.00 1.27 -0.23 2.19 2.02 -1.97 -2.92 112.91 113.28 1a9x h THR 2482Ca 0.00 -1.38 0.00 0.00 0.77 0.00 0.00 66.41 65.80 1a9x h THR 2482Cb 0.00 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1a9x h THR 2482CO -0.00 0.46 0.00 0.61 0.37 0.00 0.00 175.52 176.96 1a9x n GLY 2483N -0.17 0.46 2.69 2.16 0.00 -0.55 -4.51 105.19 105.28 1a9x n GLY 2483Ca -0.00 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 1a9x n GLY 2483CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a9x n LEU 2484N 0.19 7.27 -4.68 0.99 4.77 -1.10 -4.88 117.00 119.56 1a9x n LEU 2484Ca 0.08 -4.61 -0.29 0.00 -0.03 0.00 0.00 56.01 51.16 1a9x n LEU 2484Cb 0.27 -1.48 0.18 0.00 -2.33 0.00 0.00 43.42 40.06 1a9x n LEU 2484CO 0.06 1.60 0.65 0.54 -1.33 0.00 0.00 177.39 178.91 1a9x s ASN 2485N 1.18 2.45 0.55 -1.43 2.20 -1.26 -4.71 114.94 113.92 1a9x s ASN 2485Ca 0.47 1.03 0.23 0.00 -0.94 0.00 0.00 52.86 53.66 1a9x s ASN 2485Cb 0.13 -1.61 1.55 0.00 -2.00 0.00 0.00 41.25 39.32 1a9x s ASN 2485CO -0.04 -3.22 2.20 0.00 -2.94 0.00 0.00 177.10 173.10 1a9x h ALA 2486N -1.96 1.73 0.23 3.54 0.00 -1.98 -1.35 119.26 119.48 1a9x h ALA 2486Ca -0.53 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.05 1a9x h ALA 2486Cb 1.33 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.15 1a9x h ALA 2486CO 0.55 0.01 -1.48 -0.44 0.00 0.00 0.00 179.25 177.89 1a9x h ASP 2487N 0.00 0.77 -0.48 0.00 3.32 -1.97 -2.06 116.42 116.00 1a9x h ASP 2487Ca -0.00 -0.93 -0.07 0.00 0.02 0.00 0.00 57.03 56.06 1a9x h ASP 2487Cb 0.02 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1a9x h ASP 2487CO 0.00 1.70 0.03 0.15 -1.72 0.00 0.00 179.24 179.41 1a9x h PHE 2488N 0.08 0.88 -0.74 4.55 3.57 -1.85 -1.70 116.94 121.74 1a9x h PHE 2488Ca -0.27 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.07 1a9x h PHE 2488Cb 2.11 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 40.58 1a9x h PHE 2488CO 0.13 0.83 0.38 1.25 -2.23 0.00 0.00 178.31 178.68 1a9x h LEU 2489N 0.68 0.93 -0.85 0.59 5.85 -1.33 -1.13 115.31 120.05 1a9x h LEU 2489Ca 0.14 -0.09 -0.11 0.00 0.84 0.00 0.00 57.88 58.66 1a9x h LEU 2489Cb 0.46 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1a9x h LEU 2489CO 0.02 0.76 -0.34 -0.09 -0.34 0.00 0.00 178.44 178.45 1a9x h ARG 2490N 1.03 0.45 -0.74 1.25 2.43 -0.94 -2.31 114.38 115.55 1a9x h ARG 2490Ca 0.26 -0.20 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1a9x h ARG 2490Cb 0.06 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 1a9x h ARG 2490CO -0.04 0.73 0.35 0.37 -1.51 0.00 0.00 179.97 179.88 1a9x h GLN 2491N 0.38 1.05 -0.22 0.20 4.15 -0.37 0.13 115.11 120.43 1a9x h GLN 2491Ca 0.04 -0.15 -0.06 0.00 0.77 0.00 0.00 58.65 59.26 1a9x h GLN 2491Cb 0.79 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 1a9x h GLN 2491CO 0.06 0.81 -0.10 -0.07 -1.93 0.00 0.00 178.83 177.61 1a9x h LEU 2492N 1.05 0.46 -0.40 -2.39 3.38 -0.92 -2.34 115.31 114.15 1a9x h LEU 2492Ca 0.25 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1a9x h LEU 2492Cb 0.11 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1a9x h LEU 2492CO -0.03 0.76 0.24 0.11 0.09 0.00 0.00 178.44 179.62 1a9x h LYS 2493N 0.16 0.55 0.00 1.13 1.79 -1.28 -0.44 116.57 118.47 1a9x h LYS 2493Ca 0.05 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1a9x h LYS 2493Cb 0.59 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1a9x h LYS 2493CO 0.03 0.40 -0.00 0.00 -1.08 0.00 0.00 179.45 178.80 1a9x h ARG 2494N 0.53 0.00 -0.52 3.15 3.08 -0.53 0.41 114.38 120.51 1a9x h ARG 2494Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1a9x h ARG 2494Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1a9x h ARG 2494CO -0.03 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.50 1a9x n LYS 2495N -3.15 2.27 -0.55 0.04 4.76 -0.24 -4.55 118.16 116.73 1a9x n LYS 2495Ca -0.03 -1.80 0.00 0.00 -2.87 0.00 0.00 58.31 53.61 1a9x n LYS 2495Cb 0.09 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 1a9x n LYS 2495CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1a9x n GLY 2496N 1.21 0.97 3.73 0.72 0.00 0.13 -3.71 105.19 108.24 1a9x n GLY 2496Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1a9x n GLY 2496CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a9x s PHE 2497N -3.20 2.88 0.47 1.61 0.08 -0.80 -4.46 117.98 114.57 1a9x s PHE 2497Ca 0.00 0.52 -0.13 0.00 0.12 0.00 0.00 56.93 57.44 1a9x s PHE 2497Cb 0.00 -4.09 -0.07 0.00 -0.57 0.00 0.00 43.02 38.29 1a9x s PHE 2497CO 0.00 -3.98 0.88 0.00 -0.10 0.00 0.00 175.22 172.02 1a9x s ALA 2498N 0.79 3.21 0.49 5.36 0.00 -1.26 -4.58 121.76 125.77 1a9x s ALA 2498Ca 0.70 -0.06 0.14 0.00 0.00 0.00 0.00 51.96 52.75 1a9x s ALA 2498Cb -0.48 -2.90 1.15 0.00 0.00 0.00 0.00 23.12 20.89 1a9x s ALA 2498CO 0.37 -0.19 2.11 -0.44 0.00 0.00 0.00 175.76 177.61 1a9x h ASP 2499N 0.90 0.10 -0.23 0.00 3.32 -1.92 -2.43 116.42 116.17 1a9x h ASP 2499Ca -0.47 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.48 1a9x h ASP 2499Cb 1.19 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 1a9x h ASP 2499CO 0.63 0.09 -0.21 0.00 -1.72 0.00 0.00 179.24 178.03 1a9x h ALA 2500N 1.92 0.97 -0.10 3.45 0.00 -1.90 0.35 119.26 123.96 1a9x h ALA 2500Ca 0.03 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.45 1a9x h ALA 2500Cb 0.02 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.67 1a9x h ALA 2500CO -0.00 0.60 -0.47 -0.09 0.00 0.00 0.00 179.25 179.28 1a9x h ARG 2501N 0.60 0.49 -0.78 0.00 9.65 -1.68 -1.37 114.38 121.29 1a9x h ARG 2501Ca 0.09 -0.40 -0.05 0.00 -1.10 0.00 0.00 59.98 58.52 1a9x h ARG 2501Cb 0.68 0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 29.31 1a9x h ARG 2501CO 0.05 1.03 0.30 -0.07 2.80 0.00 0.00 179.97 184.08 1a9x h LEU 2502N 0.08 1.09 -0.09 3.80 3.38 -1.20 -1.34 115.31 121.03 1a9x h LEU 2502Ca -0.03 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 57.79 1a9x h LEU 2502Cb 1.12 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 1a9x h LEU 2502CO 0.10 0.97 -0.13 0.00 0.09 0.00 0.00 178.44 179.47 1a9x h ALA 2503N 1.16 -0.07 -0.84 1.53 0.00 -0.30 0.15 119.26 120.88 1a9x h ALA 2503Ca 0.26 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.23 1a9x h ALA 2503Cb 0.23 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1a9x h ALA 2503CO -0.02 -0.59 0.55 0.87 0.00 0.00 0.00 179.25 180.06 1a9x h LYS 2504N -0.17 1.07 -0.13 0.00 1.57 -0.60 0.47 116.57 118.78 1a9x h LYS 2504Ca 0.08 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 1a9x h LYS 2504Cb 0.28 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1a9x h LYS 2504CO -0.19 0.71 -0.44 -0.07 -0.57 0.00 0.00 179.45 178.89 1a9x h LEU 2505N 1.10 0.34 -0.08 2.94 3.38 -0.54 -2.69 115.31 119.76 1a9x h LEU 2505Ca 0.32 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1a9x h LEU 2505Cb -0.08 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1a9x h LEU 2505CO -0.08 0.73 -0.26 0.00 0.09 0.00 0.00 178.44 178.92 1a9x n ALA 2506N -2.48 3.01 -2.61 1.53 0.00 0.44 -4.40 120.51 116.00 1a9x n ALA 2506Ca -0.02 -0.27 -0.08 0.00 0.00 0.00 0.00 53.44 53.08 1a9x n ALA 2506Cb 0.51 -1.26 0.02 0.00 0.00 0.00 0.00 19.45 18.71 1a9x n ALA 2506CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a9x n GLY 2507N 1.44 0.28 3.35 0.00 0.00 0.08 -4.38 105.19 105.96 1a9x n GLY 2507Ca 0.08 -0.43 -0.18 0.00 0.00 0.00 0.00 46.02 45.49 1a9x n GLY 2507CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1a9x s VAL 2508N -2.83 0.48 0.42 1.61 -7.23 -0.73 -5.04 120.40 107.08 1a9x s VAL 2508Ca 0.13 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 58.08 1a9x s VAL 2508Cb -0.06 -2.57 -0.09 0.00 0.56 0.00 0.00 36.38 34.22 1a9x s VAL 2508CO 0.16 0.00 1.01 -0.13 -0.31 0.00 0.00 175.10 175.83 1a9x s ARG 2509N -3.90 4.14 0.30 4.82 0.52 -1.26 -4.15 118.95 119.42 1a9x s ARG 2509Ca 0.36 1.34 0.06 0.00 -0.52 0.00 0.00 55.73 56.97 1a9x s ARG 2509Cb 0.06 -2.36 0.78 0.00 0.52 0.00 0.00 34.95 33.95 1a9x s ARG 2509CO 0.16 -0.13 1.73 1.49 0.02 0.00 0.00 175.30 178.57 1a9x h GLU 2510N 2.19 0.55 -0.11 3.54 4.81 -1.89 0.14 114.58 123.81 1a9x h GLU 2510Ca -0.49 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 58.74 1a9x h GLU 2510Cb 1.20 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.45 1a9x h GLU 2510CO 0.61 0.37 0.11 0.00 -0.73 0.00 0.00 179.01 179.37 1a9x h ALA 2511N 1.69 1.82 -0.17 2.92 0.00 -1.92 -1.37 119.26 122.24 1a9x h ALA 2511Ca 0.59 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.37 1a9x h ALA 2511Cb 1.07 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1a9x h ALA 2511CO -0.46 -0.16 -0.44 0.93 0.00 0.00 0.00 179.25 179.12 1a9x h GLU 2512N 0.00 0.41 0.01 0.00 4.39 -1.33 -0.14 114.58 117.92 1a9x h GLU 2512Ca 0.05 -0.21 -0.20 0.00 0.34 0.00 0.00 59.36 59.34 1a9x h GLU 2512Cb 0.26 0.01 0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1a9x h GLU 2512CO -0.00 0.77 -0.80 0.82 -1.16 0.00 0.00 179.01 178.64 1a9x h ILE 2513N 0.34 1.37 -0.82 3.13 1.08 -1.33 -2.68 117.51 118.60 1a9x h ILE 2513Ca 0.03 -2.17 0.02 0.00 -0.39 0.00 0.00 64.86 62.35 1a9x h ILE 2513Cb 0.91 2.53 -0.04 0.00 -3.07 0.00 0.00 36.82 37.14 1a9x h ILE 2513CO 0.08 0.65 0.54 -0.09 -0.69 0.00 0.00 178.15 178.64 1a9x h ARG 2514N 0.10 1.05 -0.52 2.37 2.43 -1.27 -1.78 114.38 116.76 1a9x h ARG 2514Ca -0.10 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 58.94 1a9x h ARG 2514Cb 1.49 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.78 1a9x h ARG 2514CO 0.16 0.70 0.07 0.87 -1.51 0.00 0.00 179.97 180.25 1a9x h LYS 2515N 1.08 0.87 -0.67 0.20 1.57 -0.99 -1.93 116.57 116.71 1a9x h LYS 2515Ca 0.31 -0.24 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1a9x h LYS 2515Cb -0.08 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 1a9x h LYS 2515CO -0.07 0.86 0.44 1.25 -0.57 0.00 0.00 179.45 181.36 1a9x h LEU 2516N 0.75 0.77 -0.81 2.94 5.85 -1.10 0.19 115.31 123.89 1a9x h LEU 2516Ca 0.16 -0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.73 1a9x h LEU 2516Cb 0.42 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1a9x h LEU 2516CO 0.01 0.55 -0.59 0.03 -0.34 0.00 0.00 178.44 178.11 1a9x h ARG 2517N 0.90 0.02 -0.51 1.25 3.08 -0.81 -1.89 114.38 116.41 1a9x h ARG 2517Ca 0.25 -0.01 -0.13 0.00 0.07 0.00 0.00 59.98 60.16 1a9x h ARG 2517Cb -0.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1a9x h ARG 2517CO -0.05 0.60 -0.18 -0.44 -1.07 0.00 0.00 179.97 178.82 1a9x h ASP 2518N 0.01 1.04 -0.42 7.04 3.32 -0.52 0.39 116.42 127.28 1a9x h ASP 2518Ca -0.01 -0.38 -0.02 0.00 0.02 0.00 0.00 57.03 56.64 1a9x h ASP 2518Cb 1.04 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 40.29 1a9x h ASP 2518CO 0.08 1.19 0.18 1.56 -1.72 0.00 0.00 179.24 180.52 1a9x h GLN 2519N 0.89 0.62 -0.00 3.56 4.20 -0.69 -2.68 115.11 121.00 1a9x h GLN 2519Ca 0.12 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1a9x h GLN 2519Cb 0.76 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.44 1a9x h GLN 2519CO 0.06 0.57 -0.02 0.66 -0.67 0.00 0.00 178.83 179.43 1a9x n TYR 2520N -4.64 0.00 -3.47 2.96 4.01 -0.74 -4.91 117.16 110.37 1a9x n TYR 2520Ca 0.00 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.56 1a9x n TYR 2520Cb 0.13 -0.07 0.08 0.00 -0.31 0.00 0.00 39.34 39.18 1a9x n TYR 2520CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1a9x n ASP 2521N -0.83 -2.51 -4.25 7.72 2.03 -0.14 -4.94 116.55 113.63 1a9x n ASP 2521Ca 0.20 -0.62 -0.43 0.00 0.52 0.00 0.00 54.79 54.45 1a9x n ASP 2521Cb 0.20 -5.04 -0.06 0.00 -0.72 0.00 0.00 41.12 35.50 1a9x n ASP 2521CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1a9x s LEU 2522N -6.50 6.10 0.11 -2.67 2.96 0.12 -5.03 118.68 113.77 1a9x s LEU 2522Ca 0.07 -2.41 0.07 0.00 -0.22 0.00 0.00 54.13 51.64 1a9x s LEU 2522Cb -0.03 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 1a9x s LEU 2522CO 0.74 -0.60 -0.16 -1.00 -1.32 0.00 0.00 176.35 174.00 1a9x s HIS 2523N 0.61 1.49 0.73 5.38 3.76 -1.26 -4.72 115.29 121.28 1a9x s HIS 2523Ca 0.13 -0.49 -0.09 0.00 -0.15 0.00 0.00 55.06 54.45 1a9x s HIS 2523Cb -0.19 -0.80 0.05 0.00 1.11 0.00 0.00 32.58 32.76 1a9x s HIS 2523CO -0.04 0.16 1.07 -1.25 -0.85 0.00 0.00 174.74 173.83 1a9x s PRO 2524N -2.28 2.29 0.41 8.40 0.04 -1.26 -4.85 135.00 137.75 1a9x s PRO 2524Ca 0.06 0.01 0.08 0.00 0.04 0.00 0.00 61.00 61.19 1a9x s PRO 2524Cb -0.07 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 1a9x s PRO 2524CO 0.04 -1.28 0.23 0.14 0.04 0.00 0.00 177.00 176.17 1a9x s VAL 2525N -3.35 2.48 -0.12 -0.36 -7.23 0.18 -4.90 120.40 107.11 1a9x s VAL 2525Ca 0.60 -1.59 0.02 0.00 -1.81 0.00 0.00 61.98 59.19 1a9x s VAL 2525Cb -0.11 -3.00 -0.01 0.00 0.56 0.00 0.00 36.38 33.82 1a9x s VAL 2525CO 0.47 -0.02 -0.17 -0.31 -0.31 0.00 0.00 175.10 174.76 1a9x s TYR 2526N -2.54 2.71 0.30 2.82 1.51 -1.26 -0.64 117.35 120.25 1a9x s TYR 2526Ca 0.43 -0.78 0.08 0.00 -1.01 0.00 0.00 57.07 55.78 1a9x s TYR 2526Cb 0.01 -1.78 -0.03 0.00 -0.11 0.00 0.00 41.96 40.04 1a9x s TYR 2526CO 0.24 -0.28 0.23 0.15 -1.11 0.00 0.00 175.55 174.78 1a9x s LYS 2527N 0.31 2.73 0.09 -0.62 -0.14 0.16 -0.56 119.74 121.70 1a9x s LYS 2527Ca -0.13 -1.25 0.05 0.00 -1.36 0.00 0.00 55.97 53.28 1a9x s LYS 2527Cb -0.17 -2.46 -0.04 0.00 -1.68 0.00 0.00 37.83 33.49 1a9x s LYS 2527CO 0.07 0.21 -0.03 1.03 -0.76 0.00 0.00 175.35 175.87 1a9x s ARG 2528N -3.91 2.44 0.13 1.68 0.52 -1.26 -1.96 118.95 116.58 1a9x s ARG 2528Ca 0.37 -0.88 -0.28 0.00 -0.52 0.00 0.00 55.73 54.42 1a9x s ARG 2528Cb -0.06 -2.48 -0.07 0.00 0.52 0.00 0.00 34.95 32.86 1a9x s ARG 2528CO 0.25 0.53 0.87 0.08 0.02 0.00 0.00 175.30 177.06 1a9x s VAL 2529N -1.28 4.45 0.00 3.52 1.01 0.35 -4.94 120.40 123.52 1a9x s VAL 2529Ca 0.24 1.89 0.00 0.00 0.00 0.00 0.00 61.98 64.11 1a9x s VAL 2529Cb -0.12 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.03 1a9x s VAL 2529CO 0.17 0.40 0.10 -0.90 0.00 0.00 0.00 175.10 174.88 1a9x n ASP 2530N 2.32 0.00 0.00 3.32 5.68 -1.26 -4.79 116.55 121.82 1a9x n ASP 2530Ca -0.01 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.28 1a9x n ASP 2530Cb 0.49 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 1a9x n ASP 2530CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1a9x n THR 2531N 0.00 0.00 -0.95 2.12 -2.24 -1.13 -4.63 114.28 107.45 1a9x n THR 2531Ca 0.00 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.85 1a9x n THR 2531Cb 0.33 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.66 1a9x n THR 2531CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a9x n ALA 2533N -1.11 -1.12 -1.24 0.00 0.00 -0.30 -1.73 120.51 115.01 1a9x n ALA 2533Ca 0.11 0.17 -0.08 0.00 0.00 0.00 0.00 53.44 53.64 1a9x n ALA 2533Cb 0.57 -3.67 -0.04 0.00 0.00 0.00 0.00 19.45 16.32 1a9x n ALA 2533CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a9x n ALA 2534N -3.95 -0.13 0.22 0.00 0.00 -1.26 -4.90 120.51 110.49 1a9x n ALA 2534Ca -0.02 0.14 0.08 0.00 0.00 0.00 0.00 53.44 53.64 1a9x n ALA 2534Cb 0.55 -1.24 0.49 0.00 0.00 0.00 0.00 19.45 19.25 1a9x n ALA 2534CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1a9x h GLU 2535N 0.13 0.00 -5.71 0.00 4.81 -1.75 -3.43 114.58 108.63 1a9x h GLU 2535Ca -0.17 0.00 -0.48 0.00 -0.13 0.00 0.00 59.36 58.58 1a9x h GLU 2535Cb 0.73 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 29.90 1a9x h GLU 2535CO 0.25 0.27 -0.80 -0.06 -0.73 0.00 0.00 179.01 177.94 1a9x s PHE 2536N -3.97 1.50 0.60 0.92 0.08 -1.26 -5.15 117.98 110.69 1a9x s PHE 2536Ca -0.02 -0.46 -0.15 0.00 0.12 0.00 0.00 56.93 56.43 1a9x s PHE 2536Cb 0.13 -0.82 -0.04 0.00 -0.57 0.00 0.00 43.02 41.72 1a9x s PHE 2536CO 0.66 0.14 1.05 0.00 -0.10 0.00 0.00 175.22 176.97 1a9x s ALA 2537N -1.40 2.79 0.12 5.36 0.00 -1.26 -4.96 121.76 122.42 1a9x s ALA 2537Ca 0.04 0.31 0.04 0.00 0.00 0.00 0.00 51.96 52.35 1a9x s ALA 2537Cb -0.09 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 1a9x s ALA 2537CO 0.03 -0.78 -0.10 -0.08 0.00 0.00 0.00 175.76 174.83 1a9x s THR 2538N -2.57 1.08 0.00 0.00 -1.32 -1.26 -4.44 115.64 107.13 1a9x s THR 2538Ca 0.62 -1.87 0.00 0.00 -1.21 0.00 0.00 61.69 59.23 1a9x s THR 2538Cb -0.15 -1.63 0.00 0.00 -1.51 0.00 0.00 72.50 69.21 1a9x s THR 2538CO 0.39 -0.65 0.35 0.47 -2.21 0.00 0.00 174.62 172.96 1a9x n ASP 2539N 0.16 0.69 -4.81 8.08 8.00 -1.25 -4.99 116.55 122.42 1a9x n ASP 2539Ca -0.13 -0.85 -0.38 0.00 0.71 0.00 0.00 54.79 54.13 1a9x n ASP 2539Cb 0.59 0.28 -0.06 0.00 -0.02 0.00 0.00 41.12 41.91 1a9x n ASP 2539CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1a9x s THR 2540N -0.28 4.84 -1.02 -3.53 2.01 -1.26 -5.03 115.64 111.38 1a9x s THR 2540Ca 0.00 1.12 -0.05 0.00 0.31 0.00 0.00 61.69 63.07 1a9x s THR 2540Cb 0.00 -3.85 0.27 0.00 0.01 0.00 0.00 72.50 68.93 1a9x s THR 2540CO 0.00 0.54 1.10 0.00 -0.69 0.00 0.00 174.62 175.57 1a9x n ALA 2541N 1.94 4.36 -3.96 7.40 0.00 -1.26 -4.92 120.51 124.07 1a9x n ALA 2541Ca -0.11 -4.70 -0.32 0.00 0.00 0.00 0.00 53.44 48.31 1a9x n ALA 2541Cb 0.51 -2.12 -0.14 0.00 0.00 0.00 0.00 19.45 17.70 1a9x n ALA 2541CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1a9x s TYR 2542N -1.80 3.61 0.26 0.00 5.04 -1.26 0.10 117.35 123.30 1a9x s TYR 2542Ca 0.31 -2.70 0.09 0.00 -2.44 0.00 0.00 57.07 52.33 1a9x s TYR 2542Cb -0.04 -2.74 -0.05 0.00 0.35 0.00 0.00 41.96 39.48 1a9x s TYR 2542CO -0.04 -0.93 -0.14 -1.64 -1.34 0.00 0.00 175.55 171.46 1a9x s MET 2543N 1.00 1.53 -0.00 4.97 -1.94 0.28 -0.49 119.30 124.65 1a9x s MET 2543Ca 0.06 -1.72 -0.05 0.00 -1.71 0.00 0.00 55.69 52.26 1a9x s MET 2543Cb -0.20 -1.39 -0.00 0.00 2.01 0.00 0.00 34.83 35.25 1a9x s MET 2543CO -0.06 0.20 0.10 1.52 -0.01 0.00 0.00 175.02 176.76 1a9x s TYR 2544N -2.80 0.06 0.29 -0.03 1.13 -0.83 -0.68 117.35 114.49 1a9x s TYR 2544Ca 0.27 -0.14 -0.09 0.00 -1.41 0.00 0.00 57.07 55.70 1a9x s TYR 2544Cb -0.01 -0.06 -0.07 0.00 -1.10 0.00 0.00 41.96 40.72 1a9x s TYR 2544CO 0.11 -0.24 0.61 -1.54 -2.51 0.00 0.00 175.55 171.99 1a9x s SER 2545N -1.18 6.58 0.14 -0.18 1.04 -1.26 -0.67 113.70 118.17 1a9x s SER 2545Ca -0.13 0.95 -0.24 0.00 0.48 0.00 0.00 55.95 57.01 1a9x s SER 2545Cb -0.07 -2.24 0.07 0.00 0.10 0.00 0.00 66.02 63.87 1a9x s SER 2545CO 0.01 -0.17 0.75 0.28 0.98 0.00 0.00 173.24 175.08 1a9x s THR 2546N -2.00 0.00 -1.09 2.02 -1.32 0.19 -4.78 115.64 108.66 1a9x s THR 2546Ca 0.48 -0.30 -0.02 0.00 -1.21 0.00 0.00 61.69 60.63 1a9x s THR 2546Cb -0.11 -1.35 0.29 0.00 -1.51 0.00 0.00 72.50 69.82 1a9x s THR 2546CO 0.24 0.00 1.87 -1.22 -2.21 0.00 0.00 174.62 173.30 1a9x n TYR 2547N -0.38 2.67 -3.00 9.09 4.02 -1.26 0.51 117.16 128.81 1a9x n TYR 2547Ca -0.11 -2.60 0.00 0.00 -0.01 0.00 0.00 57.90 55.18 1a9x n TYR 2547Cb 0.62 -1.32 0.00 0.00 -0.02 0.00 0.00 39.34 38.63 1a9x n TYR 2547CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1a9x n GLU 2548N 0.49 2.04 -0.02 -0.72 2.13 -1.26 -4.86 120.64 118.45 1a9x n GLU 2548Ca 0.46 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 58.28 1a9x n GLU 2548Cb 0.27 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 31.98 1a9x n GLU 2548CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1a9x h GLU 2549N 0.00 0.00 -5.90 5.31 4.39 -1.97 -3.40 114.58 113.00 1a9x h GLU 2549Ca 0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 1a9x h GLU 2549Cb 0.00 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.58 1a9x h GLU 2549CO 0.00 0.00 0.02 -2.00 -1.16 0.00 0.00 179.01 175.87 1a9x s GLU 2550N -1.22 4.38 0.10 2.33 2.12 -1.26 -4.95 118.70 120.21 1a9x s GLU 2550Ca -0.02 0.72 -0.13 0.00 0.36 0.00 0.00 54.97 55.91 1a9x s GLU 2550Cb 0.00 -3.46 -0.06 0.00 0.26 0.00 0.00 34.13 30.87 1a9x s GLU 2550CO 0.02 0.06 0.48 0.00 -0.54 0.00 0.00 175.26 175.28 1a9x n GLU 2552N 0.97 2.74 0.01 0.00 1.02 0.27 -4.76 120.64 120.90 1a9x n GLU 2552Ca -0.07 -1.44 -0.10 0.00 -0.02 0.00 0.00 57.16 55.52 1a9x n GLU 2552Cb 0.52 -1.00 -0.04 0.00 -0.02 0.00 0.00 31.44 30.89 1a9x n GLU 2552CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a9x h ALA 2553N 0.03 -0.00 -6.58 0.62 0.00 -1.94 -3.47 119.26 107.91 1a9x h ALA 2553Ca 0.00 0.04 -0.52 0.00 0.00 0.00 0.00 54.91 54.43 1a9x h ALA 2553Cb 0.47 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1a9x h ALA 2553CO 0.00 -0.54 -0.96 0.09 0.00 0.00 0.00 179.25 177.84 1a9x n ASN 2554N -5.21 -3.45 -4.71 0.00 3.02 -1.26 -4.90 115.26 98.76 1a9x n ASN 2554Ca -0.04 -1.13 -0.34 0.00 -0.03 0.00 0.00 54.58 53.03 1a9x n ASN 2554Cb 0.13 -2.62 0.11 0.00 -0.61 0.00 0.00 39.78 36.79 1a9x n ASN 2554CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1a9x s PRO 2555N -6.68 1.93 0.65 3.52 0.05 -1.26 -5.02 135.00 128.19 1a9x s PRO 2555Ca 0.35 1.85 -0.11 0.00 0.05 0.00 0.00 61.00 63.14 1a9x s PRO 2555Cb -0.16 -1.80 -0.02 0.00 0.05 0.00 0.00 34.50 32.58 1a9x s PRO 2555CO 0.91 -2.01 1.05 -1.54 0.05 0.00 0.00 177.00 175.46 1a9x s SER 2556N -1.93 5.88 0.00 6.66 1.04 -1.26 -4.98 113.70 119.11 1a9x s SER 2556Ca 0.76 1.44 0.00 0.00 0.48 0.00 0.00 55.95 58.63 1a9x s SER 2556Cb -0.31 -2.41 0.00 0.00 0.10 0.00 0.00 66.02 63.39 1a9x s SER 2556CO 0.47 -1.10 0.00 0.35 0.98 0.00 0.00 173.24 173.94 1a9x n THR 2557N -2.90 0.00 0.03 2.02 -2.24 -1.26 -4.77 114.28 105.16 1a9x n THR 2557Ca 0.07 -0.15 -0.10 0.00 -2.27 0.00 0.00 64.05 61.60 1a9x n THR 2557Cb 0.54 0.71 0.04 0.00 -2.10 0.00 0.00 70.33 69.53 1a9x n THR 2557CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1a9x h ASP 2558N 0.00 0.56 -2.07 3.42 3.58 -2.03 -3.47 116.42 116.42 1a9x h ASP 2558Ca 0.00 -0.33 -0.54 0.00 0.42 0.00 0.00 57.03 56.57 1a9x h ASP 2558Cb 0.00 -0.16 -0.08 0.00 1.72 0.00 0.00 39.33 40.81 1a9x h ASP 2558CO 0.00 1.06 -0.58 -0.13 -2.88 0.00 0.00 179.24 176.70 1a9x s ARG 2559N -3.81 2.42 -0.38 0.28 0.52 -1.26 -5.09 118.95 111.63 1a9x s ARG 2559Ca -0.07 -1.42 -0.16 0.00 -0.52 0.00 0.00 55.73 53.56 1a9x s ARG 2559Cb 0.11 -2.23 0.00 0.00 0.52 0.00 0.00 34.95 33.35 1a9x s ARG 2559CO 0.84 0.26 0.41 -1.21 0.02 0.00 0.00 175.30 175.62 1a9x s GLU 2560N -3.77 3.37 0.08 3.54 2.02 -1.26 -4.91 118.70 117.77 1a9x s GLU 2560Ca 0.34 -0.54 -0.03 0.00 0.02 0.00 0.00 54.97 54.76 1a9x s GLU 2560Cb -0.05 -3.88 -0.05 0.00 0.10 0.00 0.00 34.13 30.26 1a9x s GLU 2560CO 0.22 -0.68 0.29 0.15 0.02 0.00 0.00 175.26 175.26 1a9x s LYS 2561N 2.10 3.54 -0.09 1.61 1.02 -1.26 -1.29 119.74 125.38 1a9x s LYS 2561Ca 0.12 -0.23 0.03 0.00 0.02 0.00 0.00 55.97 55.91 1a9x s LYS 2561Cb -0.17 -2.97 0.01 0.00 -0.52 0.00 0.00 37.83 34.19 1a9x s LYS 2561CO 0.13 0.56 -0.16 0.42 -0.92 0.00 0.00 175.35 175.38 1a9x s ILE 2562N -1.53 1.46 -0.10 2.17 -1.09 -0.15 -0.89 121.20 121.07 1a9x s ILE 2562Ca 0.36 -0.65 -0.03 0.00 -2.23 0.00 0.00 60.65 58.10 1a9x s ILE 2562Cb -0.13 -1.31 -0.03 0.00 -1.58 0.00 0.00 42.46 39.41 1a9x s ILE 2562CO 0.24 0.43 0.02 -0.32 -1.23 0.00 0.00 174.94 174.08 1a9x s MET 2563N 0.67 3.13 -0.09 2.79 -2.45 0.10 -1.08 119.30 122.37 1a9x s MET 2563Ca -0.14 -0.39 0.04 0.00 -1.25 0.00 0.00 55.69 53.96 1a9x s MET 2563Cb -0.16 -2.86 -0.00 0.00 1.25 0.00 0.00 34.83 33.05 1a9x s MET 2563CO 0.04 0.65 -0.24 0.08 1.05 0.00 0.00 175.02 176.60 1a9x s VAL 2564N -0.73 2.10 -0.18 10.11 1.01 -0.02 -0.53 120.40 132.17 1a9x s VAL 2564Ca 0.12 -1.01 -0.06 0.00 0.00 0.00 0.00 61.98 61.02 1a9x s VAL 2564Cb -0.12 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 1a9x s VAL 2564CO 0.02 0.56 0.02 -0.76 0.00 0.00 0.00 175.10 174.95 1a9x s LEU 2565N 0.25 3.54 0.00 3.92 1.43 -1.07 -1.49 118.68 125.25 1a9x s LEU 2565Ca -0.16 -0.04 -0.08 0.00 -1.03 0.00 0.00 54.13 52.82 1a9x s LEU 2565Cb -0.17 -1.89 0.11 0.00 0.03 0.00 0.00 46.19 44.27 1a9x s LEU 2565CO 0.08 0.15 0.66 0.61 0.23 0.00 0.00 176.35 178.08 1a9x n GLY 2566N 3.71 -1.29 0.65 -3.19 0.00 0.94 -3.85 105.19 102.16 1a9x n GLY 2566Ca -0.17 -1.69 0.06 0.00 0.00 0.00 0.00 46.02 44.21 1a9x n GLY 2566CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 2567N 0.68 2.79 6.91 -0.02 0.00 -1.23 -4.41 105.19 109.91 1a9x n GLY 2567Ca 0.08 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1a9x n GLY 2567CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 2568N 0.50 -1.72 3.66 -0.02 0.00 -1.26 -4.73 105.19 101.62 1a9x n GLY 2568Ca 0.12 -1.36 -0.38 0.00 0.00 0.00 0.00 46.02 44.39 1a9x n GLY 2568CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a9x n PRO 2569N 0.00 1.18 -1.94 1.61 -0.04 -1.26 -4.49 135.00 130.07 1a9x n PRO 2569Ca 0.00 0.45 -0.33 0.00 -0.04 0.00 0.00 63.50 63.58 1a9x n PRO 2569Cb 0.00 -2.29 0.02 0.00 -0.04 0.00 0.00 33.50 31.19 1a9x n PRO 2569CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1a9x s ASN 2570N -1.10 5.55 0.20 3.54 0.02 -1.26 -4.89 114.94 117.01 1a9x s ASN 2570Ca 0.74 1.87 -0.13 0.00 -1.02 0.00 0.00 52.86 54.32 1a9x s ASN 2570Cb -0.43 -2.54 0.00 0.00 0.02 0.00 0.00 41.25 38.30 1a9x s ASN 2570CO 0.48 -1.33 0.42 -0.13 0.02 0.00 0.00 177.10 176.57 1a9x s ARG 2571N -4.11 1.37 0.16 -0.60 3.00 -1.08 -3.67 118.95 114.01 1a9x s ARG 2571Ca 0.65 -1.13 -0.31 0.00 0.00 0.00 0.00 55.73 54.93 1a9x s ARG 2571Cb -0.17 0.45 -0.10 0.00 0.00 0.00 0.00 34.95 35.12 1a9x s ARG 2571CO 0.39 -0.55 1.67 0.42 0.00 0.00 0.00 175.30 177.23 1a9x s ILE 2572N -3.96 2.49 0.00 1.52 1.01 -1.26 -0.33 121.20 120.66 1a9x s ILE 2572Ca 0.17 0.25 0.00 0.00 0.00 0.00 0.00 60.65 61.08 1a9x s ILE 2572Cb 0.01 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.31 1a9x s ILE 2572CO 0.03 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.59 1a9x n GLY 2573N 3.94 3.37 2.33 6.18 0.00 -1.26 -4.90 105.19 114.85 1a9x n GLY 2573Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 1a9x n GLY 2573CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1a9x n GLN 2574N -2.00 1.54 0.00 1.61 1.13 0.55 -5.01 117.38 115.20 1a9x n GLN 2574Ca 0.00 -3.85 0.00 0.00 -1.94 0.00 0.00 57.00 51.21 1a9x n GLN 2574Cb 0.00 -1.69 0.00 0.00 0.11 0.00 0.00 30.24 28.66 1a9x n GLN 2574CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1a9x n GLY 2575N 0.96 2.17 0.48 1.08 0.00 -1.24 -2.64 105.19 106.01 1a9x n GLY 2575Ca 0.25 -1.97 0.30 0.00 0.00 0.00 0.00 46.02 44.61 1a9x n GLY 2575CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1a9x h ILE 2576N 0.00 0.50 -0.66 -0.61 2.10 -1.93 -1.88 117.51 115.03 1a9x h ILE 2576Ca 0.00 -0.02 0.08 0.00 1.08 0.00 0.00 64.86 66.00 1a9x h ILE 2576Cb 0.00 0.43 -0.04 0.00 -1.09 0.00 0.00 36.82 36.12 1a9x h ILE 2576CO 0.00 0.01 0.44 -0.33 -1.08 0.00 0.00 178.15 177.19 1a9x h GLU 2577N 0.06 0.57 -0.03 2.19 3.07 -1.89 0.12 114.58 118.67 1a9x h GLU 2577Ca 0.50 -0.03 -0.22 0.00 -0.50 0.00 0.00 59.36 59.10 1a9x h GLU 2577Cb 1.88 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 29.66 1a9x h GLU 2577CO -0.05 0.38 -0.89 0.74 -1.40 0.00 0.00 179.01 177.79 1a9x h PHE 2578N 0.59 0.68 -0.48 4.33 0.04 -1.60 -2.74 116.94 117.76 1a9x h PHE 2578Ca 0.29 -0.35 -0.05 0.00 2.80 0.00 0.00 57.97 60.67 1a9x h PHE 2578Cb 0.38 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.43 1a9x h PHE 2578CO -0.00 1.16 0.10 0.22 -0.60 0.00 0.00 178.31 179.19 1a9x h ASP 2579N 0.28 0.74 -0.48 2.17 3.58 -1.43 0.15 116.42 121.44 1a9x h ASP 2579Ca -0.07 -0.24 0.09 0.00 0.42 0.00 0.00 57.03 57.23 1a9x h ASP 2579Cb 1.52 -0.20 -0.08 0.00 1.72 0.00 0.00 39.33 42.29 1a9x h ASP 2579CO 0.16 0.79 0.00 0.22 -2.88 0.00 0.00 179.24 177.53 1a9x h TYR 2580N 0.65 -0.02 0.33 0.28 5.03 -0.70 0.13 116.97 122.67 1a9x h TYR 2580Ca 0.15 0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.48 1a9x h TYR 2580Cb 0.35 0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.71 1a9x h TYR 2580CO 0.02 -0.10 -0.21 0.00 -1.32 0.00 0.00 178.16 176.55 1a9x h VAL 2583N 0.31 1.19 -0.73 0.00 2.07 -0.44 -2.29 116.25 116.35 1a9x h VAL 2583Ca 0.43 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 67.48 1a9x h VAL 2583Cb 0.74 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1a9x h VAL 2583CO -0.50 0.19 0.26 0.45 0.02 0.00 0.00 177.57 178.00 1a9x h HIS 2584N 0.85 1.14 -0.79 1.57 -0.00 0.47 -0.77 115.15 117.62 1a9x h HIS 2584Ca 0.22 -0.10 -0.03 0.00 -0.00 0.00 0.00 60.37 60.47 1a9x h HIS 2584Cb -0.01 -0.34 -0.04 0.00 -0.00 0.00 0.00 27.41 27.02 1a9x h HIS 2584CO -0.02 0.89 0.39 0.00 -0.00 0.00 0.00 177.93 179.19 1a9x h ALA 2585N 1.13 1.02 0.07 2.45 0.00 -0.89 -1.15 119.26 121.89 1a9x h ALA 2585Ca 0.24 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1a9x h ALA 2585Cb 0.25 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1a9x h ALA 2585CO -0.01 0.57 -0.03 1.03 0.00 0.00 0.00 179.25 180.80 1a9x h SER 2586N 1.11 -0.08 -0.65 0.00 0.87 -1.09 -1.24 113.55 112.47 1a9x h SER 2586Ca 0.27 -0.15 0.01 0.00 -1.23 0.00 0.00 61.79 60.69 1a9x h SER 2586Cb 0.11 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.05 1a9x h SER 2586CO -0.04 0.10 0.43 -0.07 -0.53 0.00 0.00 176.83 176.73 1a9x h LEU 2587N -0.26 0.75 0.84 2.23 3.38 -0.90 -1.34 115.31 120.01 1a9x h LEU 2587Ca -0.01 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1a9x h LEU 2587Cb 0.23 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.80 1a9x h LEU 2587CO 0.02 0.54 -0.40 0.00 0.09 0.00 0.00 178.44 178.69 1a9x h ALA 2588N 1.24 -1.13 0.00 1.53 0.00 -1.16 -0.61 119.26 119.13 1a9x h ALA 2588Ca 0.24 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1a9x h ALA 2588Cb -0.10 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1a9x h ALA 2588CO -0.05 -1.08 -0.12 -0.07 0.00 0.00 0.00 179.25 177.93 1a9x h LEU 2589N -1.24 0.00 -0.24 0.00 3.38 -1.23 0.13 115.31 116.13 1a9x h LEU 2589Ca -0.12 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 1a9x h LEU 2589Cb 0.87 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1a9x h LEU 2589CO 0.19 0.12 -0.16 -0.09 0.09 0.00 0.00 178.44 178.59 1a9x h ARG 2590N 0.00 0.53 -0.12 1.13 2.43 -1.13 0.37 114.38 117.59 1a9x h ARG 2590Ca -0.00 -0.25 -0.08 0.00 -0.81 0.00 0.00 59.98 58.84 1a9x h ARG 2590Cb 0.21 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1a9x h ARG 2590CO 0.02 0.82 -0.27 1.49 -1.51 0.00 0.00 179.97 180.51 1a9x h GLU 2591N 0.24 0.22 0.00 0.20 4.57 -0.23 -0.29 114.58 119.29 1a9x h GLU 2591Ca 0.05 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1a9x h GLU 2591Cb 0.69 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.26 1a9x h GLU 2591CO 0.04 0.49 0.00 -0.25 -1.18 0.00 0.00 179.01 178.11 1a9x n ASP 2592N -4.15 0.18 0.00 1.04 9.92 0.39 -4.85 116.55 119.08 1a9x n ASP 2592Ca -0.01 0.54 0.00 0.00 -0.53 0.00 0.00 54.79 54.79 1a9x n ASP 2592Cb 0.37 -0.58 0.00 0.00 -0.64 0.00 0.00 41.12 40.28 1a9x n ASP 2592CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1a9x n GLY 2593N 0.36 1.04 3.86 0.44 0.00 -0.12 -5.06 105.19 105.71 1a9x n GLY 2593Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1a9x n GLY 2593CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a9x s TYR 2594N -2.00 3.31 -0.32 1.61 2.02 0.12 -4.82 117.35 117.28 1a9x s TYR 2594Ca 0.00 1.18 -0.18 0.00 -0.37 0.00 0.00 57.07 57.69 1a9x s TYR 2594Cb 0.00 -2.95 -0.01 0.00 -0.40 0.00 0.00 41.96 38.59 1a9x s TYR 2594CO 0.00 -1.13 0.53 -2.00 -1.57 0.00 0.00 175.55 171.38 1a9x s GLU 2595N -5.24 3.80 -0.13 -0.62 2.12 -0.41 -4.41 118.70 113.81 1a9x s GLU 2595Ca 0.58 0.05 -0.13 0.00 0.36 0.00 0.00 54.97 55.83 1a9x s GLU 2595Cb -0.12 -3.75 -0.05 0.00 0.26 0.00 0.00 34.13 30.47 1a9x s GLU 2595CO 0.53 -0.55 0.30 0.95 -0.54 0.00 0.00 175.26 175.95 1a9x s THR 2596N 2.42 5.28 -0.14 -1.70 -4.23 -1.26 -0.98 115.64 115.04 1a9x s THR 2596Ca 0.21 0.56 0.01 0.00 -1.18 0.00 0.00 61.69 61.29 1a9x s THR 2596Cb -0.15 -3.62 0.02 0.00 1.34 0.00 0.00 72.50 70.09 1a9x s THR 2596CO 0.12 0.45 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.86 1a9x s ILE 2597N 0.02 1.64 -0.10 2.99 1.01 -0.24 -0.85 121.20 125.66 1a9x s ILE 2597Ca 0.18 -0.70 -0.04 0.00 0.00 0.00 0.00 60.65 60.09 1a9x s ILE 2597Cb -0.13 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 1a9x s ILE 2597CO 0.06 0.47 0.05 -0.32 0.00 0.00 0.00 174.94 175.20 1a9x s MET 2598N 1.21 3.18 -0.21 2.79 1.75 -0.22 -0.84 119.30 126.97 1a9x s MET 2598Ca -0.01 -0.30 0.00 0.00 -1.25 0.00 0.00 55.69 54.13 1a9x s MET 2598Cb -0.14 -2.95 0.05 0.00 2.84 0.00 0.00 34.83 34.63 1a9x s MET 2598CO -0.06 0.72 -0.06 0.08 -0.65 0.00 0.00 175.02 175.05 1a9x s VAL 2599N -0.89 1.39 0.05 10.11 1.01 -0.56 -1.43 120.40 130.08 1a9x s VAL 2599Ca 0.13 -1.02 -0.27 0.00 0.00 0.00 0.00 61.98 60.83 1a9x s VAL 2599Cb -0.12 -1.63 0.09 0.00 0.00 0.00 0.00 36.38 34.73 1a9x s VAL 2599CO 0.03 -0.01 0.82 0.21 0.00 0.00 0.00 175.10 176.14 1a9x s ASN 2600N 1.48 -0.40 -0.07 3.32 2.47 -1.10 -0.04 114.94 120.60 1a9x s ASN 2600Ca -0.03 -0.03 0.10 0.00 0.42 0.00 0.00 52.86 53.32 1a9x s ASN 2600Cb -0.18 0.45 0.17 0.00 -1.45 0.00 0.00 41.25 40.24 1a9x s ASN 2600CO -0.07 -0.73 1.08 0.00 -3.72 0.00 0.00 177.10 173.66 1a9x s ASN 2602N -1.96 6.48 0.08 0.00 3.84 -1.26 -1.67 114.94 120.46 1a9x s ASN 2602Ca 0.17 0.18 0.25 0.00 0.21 0.00 0.00 52.86 53.67 1a9x s ASN 2602Cb 0.16 -2.37 0.99 0.00 -0.55 0.00 0.00 41.25 39.48 1a9x s ASN 2602CO 0.00 -0.74 1.79 -0.81 -2.79 0.00 0.00 177.10 174.55 1a9x n PRO 2603N 6.39 0.09 0.12 0.43 -0.04 -1.26 -3.51 135.00 137.22 1a9x n PRO 2603Ca 0.02 0.14 0.12 0.00 -0.04 0.00 0.00 63.50 63.74 1a9x n PRO 2603Cb 0.48 -1.62 0.23 0.00 -0.04 0.00 0.00 33.50 32.55 1a9x n PRO 2603CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1a9x h GLU 2604N 0.00 0.00 -6.52 0.54 5.08 -1.90 -3.41 114.58 108.37 1a9x h GLU 2604Ca 0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 57.93 1a9x h GLU 2604Cb 0.51 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.79 1a9x h GLU 2604CO 0.00 0.00 -0.22 0.95 -1.00 0.00 0.00 179.01 178.74 1a9x s THR 2605N -3.18 3.23 0.26 1.13 -4.23 -1.23 -3.17 115.64 108.45 1a9x s THR 2605Ca 0.07 -0.89 0.10 0.00 -1.18 0.00 0.00 61.69 59.79 1a9x s THR 2605Cb 0.10 -3.12 -0.04 0.00 1.34 0.00 0.00 72.50 70.78 1a9x s THR 2605CO 0.68 -0.06 1.58 0.58 -0.54 0.00 0.00 174.62 176.86 1a9x h VAL 2606N 0.55 1.47 0.00 2.29 2.07 -1.91 -2.98 116.25 117.75 1a9x h VAL 2606Ca -0.42 -2.24 -0.02 0.00 0.82 0.00 0.00 66.70 64.84 1a9x h VAL 2606Cb 1.28 2.21 -0.00 0.00 -1.52 0.00 0.00 31.29 33.25 1a9x h VAL 2606CO 0.49 0.64 -0.09 0.77 0.02 0.00 0.00 177.57 179.40 1a9x h SER 2607N 0.00 0.00 -0.48 0.57 4.64 -1.92 -0.50 113.55 115.86 1a9x h SER 2607Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1a9x h SER 2607Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1a9x h SER 2607CO 0.08 0.09 0.00 0.35 -0.87 0.00 0.00 176.83 176.48 1a9x n THR 2608N -4.31 2.13 -3.00 2.95 -2.24 -1.12 -4.85 114.28 103.84 1a9x n THR 2608Ca -0.03 -1.11 -0.40 0.00 -2.27 0.00 0.00 64.05 60.24 1a9x n THR 2608Cb 0.17 -0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.09 1a9x n THR 2608CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1a9x s ASP 2609N -0.66 7.00 0.62 3.42 -1.08 -0.20 -4.94 116.67 120.84 1a9x s ASP 2609Ca 0.44 1.21 0.36 0.00 -0.52 0.00 0.00 52.55 54.04 1a9x s ASP 2609Cb 0.33 -2.43 2.08 0.00 -1.46 0.00 0.00 42.92 41.44 1a9x s ASP 2609CO 0.14 -0.17 2.30 0.10 0.52 0.00 0.00 175.17 178.06 1a9x h TYR 2610N 6.87 0.00 0.00 -5.34 -0.00 -1.88 -0.76 116.97 115.86 1a9x h TYR 2610Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.34 1a9x h TYR 2610Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.92 1a9x h TYR 2610CO 0.66 0.00 0.00 -0.44 -0.00 0.00 0.00 178.16 178.38 1a9x h ASP 2611N 0.00 0.00 1.12 0.10 3.32 -1.92 -3.27 116.42 115.77 1a9x h ASP 2611Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1a9x h ASP 2611Cb 0.02 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1a9x h ASP 2611CO -0.00 0.00 -0.18 0.74 -1.72 0.00 0.00 179.24 178.08 1a9x h THR 2612N 0.00 0.42 -4.35 0.35 2.02 -1.37 -3.46 112.91 106.51 1a9x h THR 2612Ca 0.00 -1.10 -0.25 0.00 0.77 0.00 0.00 66.41 65.83 1a9x h THR 2612Cb 0.58 1.81 -0.15 0.00 -1.74 0.00 0.00 68.15 68.65 1a9x h THR 2612CO 0.00 0.18 -0.63 -0.94 0.37 0.00 0.00 175.52 174.50 1a9x s SER 2613N -6.12 0.45 0.14 4.18 1.04 -1.23 -4.40 113.70 107.75 1a9x s SER 2613Ca 0.02 -1.34 -0.09 0.00 0.48 0.00 0.00 55.95 55.01 1a9x s SER 2613Cb 0.09 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.48 1a9x s SER 2613CO 0.63 -0.78 1.43 0.44 0.98 0.00 0.00 173.24 175.94 1a9x h ASP 2614N 2.62 0.90 -3.50 7.02 3.32 -1.45 -3.44 116.42 121.90 1a9x h ASP 2614Ca -0.36 -0.48 -0.30 0.00 0.02 0.00 0.00 57.03 55.91 1a9x h ASP 2614Cb 1.24 -0.26 -0.34 0.00 0.22 0.00 0.00 39.33 40.19 1a9x h ASP 2614CO 0.56 1.26 -0.72 -0.13 -1.72 0.00 0.00 179.24 178.49 1a9x s ARG 2615N -4.11 -0.04 -0.16 3.56 0.52 -0.03 -4.42 118.95 114.27 1a9x s ARG 2615Ca -0.10 0.21 -0.00 0.00 -0.52 0.00 0.00 55.73 55.32 1a9x s ARG 2615Cb 0.10 -0.27 -0.00 0.00 0.52 0.00 0.00 34.95 35.30 1a9x s ARG 2615CO 0.88 -0.18 -0.14 -1.17 0.02 0.00 0.00 175.30 174.71 1a9x s LEU 2616N 1.17 2.54 -0.39 2.53 2.96 0.12 -1.05 118.68 126.56 1a9x s LEU 2616Ca -0.08 -0.45 -0.07 0.00 -0.22 0.00 0.00 54.13 53.31 1a9x s LEU 2616Cb -0.13 -1.59 0.07 0.00 0.50 0.00 0.00 46.19 45.05 1a9x s LEU 2616CO -0.03 0.08 0.19 -0.31 -1.32 0.00 0.00 176.35 174.95 1a9x s TYR 2617N 0.87 3.35 -1.12 5.38 2.02 -0.51 -0.56 117.35 126.78 1a9x s TYR 2617Ca -0.04 -1.68 -0.17 0.00 -0.37 0.00 0.00 57.07 54.81 1a9x s TYR 2617Cb -0.15 -2.75 0.13 0.00 -0.40 0.00 0.00 41.96 38.78 1a9x s TYR 2617CO -0.01 -0.83 1.40 0.12 -1.57 0.00 0.00 175.55 174.66 1a9x s PHE 2618N 1.36 3.14 0.22 2.71 2.19 0.15 -2.70 117.98 125.04 1a9x s PHE 2618Ca 0.02 -1.66 0.02 0.00 0.33 0.00 0.00 56.93 55.63 1a9x s PHE 2618Cb -0.22 -4.44 -0.05 0.00 -1.31 0.00 0.00 43.02 37.01 1a9x s PHE 2618CO 0.01 -1.57 0.04 -1.21 1.83 0.00 0.00 175.22 174.32 1a9x s GLU 2619N 2.82 1.28 0.31 10.12 0.41 -1.10 -4.65 118.70 127.88 1a9x s GLU 2619Ca 0.42 -1.66 -0.29 0.00 -0.41 0.00 0.00 54.97 53.03 1a9x s GLU 2619Cb -0.02 -0.32 -0.10 0.00 -1.78 0.00 0.00 34.13 31.91 1a9x s GLU 2619CO -0.03 -0.20 1.32 -2.14 -0.49 0.00 0.00 175.26 173.72 1a9x s PRO 2620N -3.96 4.36 -1.22 0.39 0.02 -1.26 -3.16 135.00 130.16 1a9x s PRO 2620Ca 0.31 2.20 -0.10 0.00 0.02 0.00 0.00 61.00 63.43 1a9x s PRO 2620Cb 0.07 -3.09 0.20 0.00 0.02 0.00 0.00 34.50 31.70 1a9x s PRO 2620CO 0.09 -0.21 1.61 0.28 -0.33 0.00 0.00 177.00 178.43 1a9x n VAL 2621N 1.18 4.47 -4.39 3.83 0.31 -1.26 -4.54 118.33 117.94 1a9x n VAL 2621Ca 0.01 -4.81 -0.20 0.00 -0.01 0.00 0.00 64.34 59.33 1a9x n VAL 2621Cb 0.42 -2.38 -0.10 0.00 -0.91 0.00 0.00 33.84 30.87 1a9x n VAL 2621CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1a9x s THR 2622N 0.20 1.84 0.14 2.52 -4.23 -1.26 -4.84 115.64 110.01 1a9x s THR 2622Ca 0.39 -2.22 -0.18 0.00 -1.18 0.00 0.00 61.69 58.50 1a9x s THR 2622Cb 0.03 -2.19 -0.01 0.00 1.34 0.00 0.00 72.50 71.67 1a9x s THR 2622CO 0.01 -0.49 1.74 0.25 -0.54 0.00 0.00 174.62 175.59 1a9x h LEU 2623N 2.44 0.08 -0.04 4.79 5.85 -1.96 0.42 115.31 126.88 1a9x h LEU 2623Ca -0.39 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.40 1a9x h LEU 2623Cb 1.23 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.24 1a9x h LEU 2623CO 0.63 0.08 -0.28 -0.08 -0.34 0.00 0.00 178.44 178.45 1a9x h GLU 2624N 0.20 -0.38 -0.60 1.25 4.81 -1.97 0.11 114.58 118.00 1a9x h GLU 2624Ca 0.13 0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.34 1a9x h GLU 2624Cb 0.11 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 1a9x h GLU 2624CO -0.15 -0.26 0.18 -0.44 -0.73 0.00 0.00 179.01 177.62 1a9x h ASP 2625N -0.40 0.89 -0.18 1.04 3.32 -1.76 -2.30 116.42 117.02 1a9x h ASP 2625Ca 0.07 -0.21 -0.14 0.00 0.02 0.00 0.00 57.03 56.77 1a9x h ASP 2625Cb 0.50 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1a9x h ASP 2625CO -0.27 0.86 -0.38 0.58 -1.72 0.00 0.00 179.24 178.32 1a9x h VAL 2626N 0.86 1.29 -0.73 -1.35 2.07 -0.69 -2.79 116.25 114.91 1a9x h VAL 2626Ca 0.19 -1.54 -0.03 0.00 0.82 0.00 0.00 66.70 66.14 1a9x h VAL 2626Cb 0.30 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 1a9x h VAL 2626CO -0.00 0.50 0.35 -0.07 0.02 0.00 0.00 177.57 178.36 1a9x h LEU 2627N 0.59 0.96 -1.11 2.57 3.38 -0.52 -0.95 115.31 120.23 1a9x h LEU 2627Ca 0.05 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.92 1a9x h LEU 2627Cb 0.91 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 1a9x h LEU 2627CO 0.08 0.83 0.61 -0.33 0.09 0.00 0.00 178.44 179.72 1a9x h GLU 2628N 1.03 1.13 -0.11 1.13 4.39 -1.30 -0.10 114.58 120.75 1a9x h GLU 2628Ca 0.25 -0.07 -0.18 0.00 0.34 0.00 0.00 59.36 59.70 1a9x h GLU 2628Cb 0.13 -0.26 -0.00 0.00 -0.10 0.00 0.00 28.75 28.52 1a9x h GLU 2628CO -0.03 0.75 -0.70 0.82 -1.16 0.00 0.00 179.01 178.69 1a9x h ILE 2629N 1.17 1.36 -0.34 3.13 2.04 -1.15 -3.17 117.51 120.55 1a9x h ILE 2629Ca 0.36 -2.05 -0.01 0.00 1.00 0.00 0.00 64.86 64.16 1a9x h ILE 2629Cb 0.00 2.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 1a9x h ILE 2629CO -0.11 0.62 0.17 0.58 0.00 0.00 0.00 178.15 179.42 1a9x h VAL 2630N 0.33 1.15 -0.79 1.67 2.07 -0.51 0.10 116.25 120.26 1a9x h VAL 2630Ca -0.02 -0.40 0.19 0.00 0.82 0.00 0.00 66.70 67.28 1a9x h VAL 2630Cb 1.27 0.80 -0.14 0.00 -1.52 0.00 0.00 31.29 31.70 1a9x h VAL 2630CO 0.12 0.15 0.01 -0.09 0.02 0.00 0.00 177.57 177.79 1a9x h ARG 2631N 0.42 0.09 0.00 1.57 2.43 -1.01 0.72 114.38 118.59 1a9x h ARG 2631Ca 0.12 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.13 1a9x h ARG 2631Cb 0.09 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 1a9x h ARG 2631CO -0.02 0.06 -1.67 0.44 -1.51 0.00 0.00 179.97 177.27 1a9x n ILE 2632N -5.36 0.93 0.06 1.20 -5.35 -1.11 -4.36 119.36 105.37 1a9x n ILE 2632Ca 0.15 -0.67 -0.16 0.00 -0.27 0.00 0.00 62.75 61.80 1a9x n ILE 2632Cb 0.51 -0.50 -0.14 0.00 -1.74 0.00 0.00 39.64 37.77 1a9x n ILE 2632CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1a9x h GLU 2633N 0.00 0.24 -6.09 6.28 4.39 -0.09 -3.46 114.58 115.85 1a9x h GLU 2633Ca -0.19 -0.41 -0.39 0.00 0.34 0.00 0.00 59.36 58.72 1a9x h GLU 2633Cb 1.53 0.15 0.10 0.00 -0.10 0.00 0.00 28.75 30.43 1a9x h GLU 2633CO 0.03 1.10 -0.90 1.63 -1.16 0.00 0.00 179.01 179.71 1a9x n LYS 2634N -3.44 -1.38 -1.36 2.33 5.02 0.24 -4.93 118.16 114.64 1a9x n LYS 2634Ca -0.16 0.57 -0.30 0.00 -2.02 0.00 0.00 58.31 56.40 1a9x n LYS 2634Cb 1.04 -4.39 0.10 0.00 -0.02 0.00 0.00 35.03 31.76 1a9x n LYS 2634CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1a9x s PRO 2635N -5.59 2.03 0.09 1.97 0.04 -1.26 -4.89 135.00 127.39 1a9x s PRO 2635Ca 0.45 0.91 -0.09 0.00 0.04 0.00 0.00 61.00 62.31 1a9x s PRO 2635Cb -0.14 -1.89 -0.20 0.00 0.04 0.00 0.00 34.50 32.30 1a9x s PRO 2635CO 0.84 -1.73 1.20 -0.22 0.04 0.00 0.00 177.00 177.13 1a9x h LYS 2636N -1.18 0.48 -3.72 4.56 3.64 -1.37 -3.46 116.57 115.52 1a9x h LYS 2636Ca -0.46 -0.60 -0.08 0.00 -1.27 0.00 0.00 60.65 58.24 1a9x h LYS 2636Cb 1.25 0.19 -0.14 0.00 -0.41 0.00 0.00 32.23 33.13 1a9x h LYS 2636CO 0.55 1.24 -0.30 0.20 -2.27 0.00 0.00 179.45 178.86 1a9x s GLY 2637N -4.46 0.03 -0.06 5.01 0.00 -1.07 -4.77 107.32 102.01 1a9x s GLY 2637Ca -0.07 -0.51 -0.01 0.00 0.00 0.00 0.00 44.72 44.13 1a9x s GLY 2637CO 0.90 -0.70 -0.00 0.14 0.00 0.00 0.00 173.10 173.43 1a9x s VAL 2638N -3.85 0.32 -0.24 1.40 1.01 0.20 -0.72 120.40 118.52 1a9x s VAL 2638Ca 0.05 0.10 -0.15 0.00 0.00 0.00 0.00 61.98 61.98 1a9x s VAL 2638Cb 0.04 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 1a9x s VAL 2638CO -0.11 0.23 0.38 -0.63 0.00 0.00 0.00 175.10 174.97 1a9x s ILE 2639N 1.65 5.19 -0.55 2.22 1.01 0.31 -0.46 121.20 130.58 1a9x s ILE 2639Ca -0.00 0.62 0.05 0.00 0.00 0.00 0.00 60.65 61.32 1a9x s ILE 2639Cb -0.13 -3.70 0.02 0.00 0.01 0.00 0.00 42.46 38.65 1a9x s ILE 2639CO -0.04 0.20 0.54 1.33 0.00 0.00 0.00 174.94 176.98 1a9x n VAL 2640N 4.75 0.00 1.17 2.92 0.24 -1.26 -2.61 118.33 123.53 1a9x n VAL 2640Ca -0.09 -0.47 0.14 0.00 -2.04 0.00 0.00 64.34 61.89 1a9x n VAL 2640Cb 0.51 1.08 0.59 0.00 -1.47 0.00 0.00 33.84 34.55 1a9x n VAL 2640CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1a9x n GLN 2641N -0.10 0.22 -0.02 7.34 3.00 -1.26 -3.66 117.38 122.90 1a9x n GLN 2641Ca 0.03 -0.05 0.06 0.00 -0.01 0.00 0.00 57.00 57.02 1a9x n GLN 2641Cb 0.12 -1.50 0.06 0.00 0.00 0.00 0.00 30.24 28.92 1a9x n GLN 2641CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1a9x n TYR 2642N -1.35 0.06 0.35 1.08 4.02 -1.26 -2.49 117.16 117.58 1a9x n TYR 2642Ca 0.10 -0.07 0.10 0.00 -0.01 0.00 0.00 57.90 58.02 1a9x n TYR 2642Cb 0.31 -0.00 0.17 0.00 -0.02 0.00 0.00 39.34 39.80 1a9x n TYR 2642CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1a9x n GLY 2643N 0.61 1.49 2.67 2.72 0.00 -1.25 -4.01 105.19 107.42 1a9x n GLY 2643Ca 0.07 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1a9x n GLY 2643CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 2644N 1.27 -1.08 0.25 -0.02 0.00 -1.26 -3.51 105.19 100.84 1a9x n GLY 2644Ca 0.16 -1.66 -0.02 0.00 0.00 0.00 0.00 46.02 44.50 1a9x n GLY 2644CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1a9x h GLN 2645N 0.00 0.64 -0.08 1.61 1.08 -1.94 -2.82 115.11 113.60 1a9x h GLN 2645Ca 0.00 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.17 1a9x h GLN 2645Cb 0.00 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.27 1a9x h GLN 2645CO 0.00 0.42 -0.14 1.15 -0.95 0.00 0.00 178.83 179.31 1a9x h THR 2646N 0.66 0.00 -0.05 -0.54 2.02 -1.85 -0.74 112.91 112.42 1a9x h THR 2646Ca 0.28 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.37 1a9x h THR 2646Cb 0.17 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.57 1a9x h THR 2646CO -0.17 0.00 -0.39 1.55 0.37 0.00 0.00 175.52 176.88 1a9x h PRO 2647N -0.12 0.09 -0.39 6.66 0.13 -1.77 -3.04 132.00 133.57 1a9x h PRO 2647Ca 0.02 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1a9x h PRO 2647Cb 0.16 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.27 1a9x h PRO 2647CO -0.14 0.47 0.23 1.25 -0.23 0.00 0.00 178.00 179.58 1a9x h LEU 2648N 0.08 0.47 -2.08 1.56 5.85 -1.21 -1.96 115.31 118.02 1a9x h LEU 2648Ca 0.01 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1a9x h LEU 2648Cb 0.73 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 1a9x h LEU 2648CO 0.05 0.39 0.01 0.11 -0.34 0.00 0.00 178.44 178.66 1a9x h LYS 2649N 0.50 0.00 0.00 1.25 1.57 -1.03 -2.42 116.57 116.44 1a9x h LYS 2649Ca 0.14 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.83 1a9x h LYS 2649Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1a9x h LYS 2649CO -0.03 0.00 -0.42 -0.07 -0.57 0.00 0.00 179.45 178.36 1a9x h LEU 2650N 0.00 0.00 -0.99 2.94 3.38 -1.33 -3.39 115.31 115.92 1a9x h LEU 2650Ca 0.00 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.22 1a9x h LEU 2650Cb 0.02 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.58 1a9x h LEU 2650CO -0.00 0.42 -0.08 0.00 0.09 0.00 0.00 178.44 178.87 1a9x n ALA 2651N -2.22 0.41 -0.03 1.53 0.00 -0.91 -1.17 120.51 118.12 1a9x n ALA 2651Ca 0.02 1.07 -0.13 0.00 0.00 0.00 0.00 53.44 54.40 1a9x n ALA 2651Cb 0.67 -0.73 -0.08 0.00 0.00 0.00 0.00 19.45 19.31 1a9x n ALA 2651CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a9x h ARG 2652N 0.00 0.18 -0.79 0.00 3.08 -1.78 -2.49 114.38 112.58 1a9x h ARG 2652Ca 0.55 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 60.48 1a9x h ARG 2652Cb 1.05 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.06 1a9x h ARG 2652CO -0.96 0.58 0.35 0.00 -1.07 0.00 0.00 179.97 178.87 1a9x h ALA 2653N 0.60 1.02 -0.41 0.04 0.00 -1.74 -1.41 119.26 117.35 1a9x h ALA 2653Ca 0.02 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1a9x h ALA 2653Cb 0.54 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1a9x h ALA 2653CO 0.02 0.61 -0.01 -0.07 0.00 0.00 0.00 179.25 179.79 1a9x h LEU 2654N 1.12 0.63 -0.36 0.00 3.38 -1.14 0.24 115.31 119.18 1a9x h LEU 2654Ca 0.27 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1a9x h LEU 2654Cb 0.16 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1a9x h LEU 2654CO -0.03 0.71 -0.01 -0.08 0.09 0.00 0.00 178.44 179.12 1a9x h GLU 2655N 0.62 0.64 -0.24 1.13 4.81 -1.03 0.49 114.58 121.00 1a9x h GLU 2655Ca 0.13 -0.21 -0.05 0.00 -0.13 0.00 0.00 59.36 59.10 1a9x h GLU 2655Cb 0.40 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1a9x h GLU 2655CO 0.02 0.75 -0.07 0.00 -0.73 0.00 0.00 179.01 178.98 1a9x h ALA 2656N 0.86 1.44 -0.27 2.92 0.00 -0.95 0.19 119.26 123.46 1a9x h ALA 2656Ca 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1a9x h ALA 2656Cb 0.47 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1a9x h ALA 2656CO 0.02 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.66 1a9x n ALA 2657N -2.48 2.49 0.00 0.00 0.00 0.80 -4.90 120.51 116.42 1a9x n ALA 2657Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1a9x n ALA 2657Cb 0.25 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1a9x n ALA 2657CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a9x n GLY 2658N 0.89 0.38 3.76 0.00 0.00 0.06 -5.04 105.19 105.24 1a9x n GLY 2658Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1a9x n GLY 2658CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a9x s VAL 2659N -2.00 3.36 -1.29 1.61 1.01 0.17 -4.94 120.40 118.32 1a9x s VAL 2659Ca 0.00 1.37 -0.17 0.00 0.00 0.00 0.00 61.98 63.18 1a9x s VAL 2659Cb 0.00 -3.87 0.09 0.00 0.00 0.00 0.00 36.38 32.60 1a9x s VAL 2659CO 0.00 0.32 1.69 -0.81 0.00 0.00 0.00 175.10 176.31 1a9x n PRO 2660N 1.15 3.23 -2.39 2.72 -0.04 -1.26 -4.40 135.00 134.00 1a9x n PRO 2660Ca -0.01 -3.39 -0.42 0.00 -0.04 0.00 0.00 63.50 59.64 1a9x n PRO 2660Cb 0.44 -3.38 -0.03 0.00 -0.04 0.00 0.00 33.50 30.50 1a9x n PRO 2660CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1a9x s VAL 2661N 3.51 4.06 0.45 0.52 1.01 -1.26 -0.62 120.40 128.06 1a9x s VAL 2661Ca 0.51 1.43 0.06 0.00 0.00 0.00 0.00 61.98 63.98 1a9x s VAL 2661Cb 0.03 -3.92 0.02 0.00 0.00 0.00 0.00 36.38 32.50 1a9x s VAL 2661CO 0.05 0.04 0.62 0.27 0.00 0.00 0.00 175.10 176.08 1a9x s ILE 2662N 1.87 2.97 0.00 2.22 -4.36 0.40 -4.80 121.20 119.50 1a9x s ILE 2662Ca 0.58 -0.91 0.00 0.00 -0.26 0.00 0.00 60.65 60.06 1a9x s ILE 2662Cb -0.28 -3.02 0.00 0.00 1.25 0.00 0.00 42.46 40.41 1a9x s ILE 2662CO 0.25 -0.01 0.00 0.61 0.24 0.00 0.00 174.94 176.03 1a9x n GLY 2663N -1.97 -0.64 3.68 6.27 0.00 -1.26 -4.63 105.19 106.65 1a9x n GLY 2663Ca 0.08 -1.14 -0.46 0.00 0.00 0.00 0.00 46.02 44.50 1a9x n GLY 2663CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1a9x n THR 2664N 0.00 0.39 -1.48 2.61 -1.04 -0.88 -4.80 114.28 109.08 1a9x n THR 2664Ca 0.00 -0.07 -0.34 0.00 -2.04 0.00 0.00 64.05 61.60 1a9x n THR 2664Cb 0.00 -1.87 0.09 0.00 -1.82 0.00 0.00 70.33 66.73 1a9x n THR 2664CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1a9x s SER 2665N 2.95 4.29 0.31 8.00 1.04 -1.26 -4.84 113.70 124.19 1a9x s SER 2665Ca 0.86 2.35 0.04 0.00 0.48 0.00 0.00 55.95 59.68 1a9x s SER 2665Cb -0.62 -2.59 0.64 0.00 0.10 0.00 0.00 66.02 63.55 1a9x s SER 2665CO 0.44 -2.20 1.87 -0.65 0.98 0.00 0.00 173.24 173.68 1a9x h PRO 2666N -0.20 0.87 -0.25 4.02 0.11 -1.90 -1.62 132.00 133.03 1a9x h PRO 2666Ca -0.48 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.55 1a9x h PRO 2666Cb 1.29 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1a9x h PRO 2666CO 0.50 0.58 0.06 0.22 -0.21 0.00 0.00 178.00 179.15 1a9x h ASP 2667N 0.90 0.39 -0.74 -2.05 3.58 -1.96 -1.13 116.42 115.41 1a9x h ASP 2667Ca 0.45 -0.23 -0.01 0.00 0.42 0.00 0.00 57.03 57.66 1a9x h ASP 2667Cb 0.49 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.40 1a9x h ASP 2667CO -0.21 0.52 0.44 0.00 -2.88 0.00 0.00 179.24 177.10 1a9x h ALA 2668N 0.88 0.94 -0.50 -0.78 0.00 -1.68 0.43 119.26 118.55 1a9x h ALA 2668Ca 0.08 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1a9x h ALA 2668Cb 0.29 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1a9x h ALA 2668CO 0.00 0.41 0.22 0.82 0.00 0.00 0.00 179.25 180.71 1a9x h ILE 2669N 1.01 0.91 -0.76 0.00 2.04 -1.23 0.63 117.51 120.11 1a9x h ILE 2669Ca 0.26 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.97 1a9x h ILE 2669Cb -0.02 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.45 1a9x h ILE 2669CO -0.05 0.08 0.48 -0.78 0.00 0.00 0.00 178.15 177.88 1a9x h ASP 2670N 0.44 0.90 -0.35 1.72 3.58 0.04 0.46 116.42 123.22 1a9x h ASP 2670Ca 0.23 -0.05 0.04 0.00 0.42 0.00 0.00 57.03 57.67 1a9x h ASP 2670Cb 0.18 -0.23 -0.04 0.00 1.72 0.00 0.00 39.33 40.96 1a9x h ASP 2670CO -0.19 0.68 0.10 0.03 -2.88 0.00 0.00 179.24 176.99 1a9x h ARG 2671N 1.04 0.23 -0.39 0.28 3.08 0.15 0.47 114.38 119.24 1a9x h ARG 2671Ca 0.28 -0.01 -0.16 0.00 0.07 0.00 0.00 59.98 60.16 1a9x h ARG 2671Cb -0.07 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1a9x h ARG 2671CO -0.06 0.15 -0.37 0.00 -1.07 0.00 0.00 179.97 178.62 1a9x h ALA 2672N 1.23 0.60 0.01 0.04 0.00 -0.39 -2.66 119.26 118.09 1a9x h ALA 2672Ca 0.16 -0.45 -0.20 0.00 0.00 0.00 0.00 54.91 54.42 1a9x h ALA 2672Cb 0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1a9x h ALA 2672CO -0.18 0.68 -0.91 0.93 0.00 0.00 0.00 179.25 179.76 1a9x h GLU 2673N 0.76 0.12 -6.67 0.00 4.39 0.15 -3.43 114.58 109.90 1a9x h GLU 2673Ca 0.06 -0.14 -0.56 0.00 0.34 0.00 0.00 59.36 59.06 1a9x h GLU 2673Cb 0.97 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 29.59 1a9x h GLU 2673CO 0.09 0.95 0.96 0.34 -1.16 0.00 0.00 179.01 180.19 1a9x s ASP 2674N -6.87 6.55 0.35 1.42 2.15 0.13 -4.89 116.67 115.52 1a9x s ASP 2674Ca -0.02 0.49 0.17 0.00 0.43 0.00 0.00 52.55 53.63 1a9x s ASP 2674Cb 0.10 -2.55 1.20 0.00 -0.30 0.00 0.00 42.92 41.37 1a9x s ASP 2674CO 0.82 -1.32 1.63 0.03 -0.17 0.00 0.00 175.17 176.17 1a9x h ARG 2675N 9.56 0.19 0.21 4.34 -0.00 -1.85 0.04 114.38 126.88 1a9x h ARG 2675Ca -0.24 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.98 59.22 1a9x h ARG 2675Cb 1.07 -0.04 0.00 0.00 0.00 0.00 0.00 29.97 31.00 1a9x h ARG 2675CO 1.13 0.13 -0.10 1.49 0.00 0.00 0.00 179.97 182.62 1a9x h GLU 2676N 0.20 -0.27 -0.14 0.04 4.81 -1.91 -2.80 114.58 114.52 1a9x h GLU 2676Ca 0.78 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 60.07 1a9x h GLU 2676Cb 1.91 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 31.29 1a9x h GLU 2676CO -0.66 0.09 -0.43 0.00 -0.73 0.00 0.00 179.01 177.28 1a9x h ARG 2677N -0.93 -0.48 -0.42 1.92 3.08 -1.62 -2.86 114.38 113.06 1a9x h ARG 2677Ca -0.03 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.10 1a9x h ARG 2677Cb 0.49 0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.59 1a9x h ARG 2677CO 0.05 -0.32 -0.32 0.35 -1.07 0.00 0.00 179.97 178.65 1a9x h PHE 2678N -0.50 -1.02 -1.41 3.04 3.57 -0.64 0.67 116.94 120.65 1a9x h PHE 2678Ca 0.07 0.06 0.46 0.00 3.53 0.00 0.00 57.97 62.10 1a9x h PHE 2678Cb 0.63 0.50 -0.13 0.00 2.79 0.00 0.00 35.95 39.75 1a9x h PHE 2678CO -0.50 -0.24 0.93 0.37 -2.23 0.00 0.00 178.31 176.64 1a9x h GLN 2679N -0.09 0.05 -0.25 1.11 4.15 -1.28 1.26 115.11 120.05 1a9x h GLN 2679Ca 0.07 -0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.33 1a9x h GLN 2679Cb 0.27 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.95 1a9x h GLN 2679CO -0.45 0.03 -0.45 0.45 -1.93 0.00 0.00 178.83 176.49 1a9x h HIS 2680N 0.05 0.94 0.24 3.99 3.86 -0.73 -1.99 115.15 121.51 1a9x h HIS 2680Ca 0.85 -0.33 -0.01 0.00 -1.16 0.00 0.00 60.37 59.72 1a9x h HIS 2680Cb 2.79 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 31.08 1a9x h HIS 2680CO -0.00 1.12 -0.12 0.00 0.86 0.00 0.00 177.93 179.79 1a9x h ALA 2681N 0.65 -0.32 -1.04 2.45 0.00 0.22 -1.60 119.26 119.62 1a9x h ALA 2681Ca 0.02 -0.20 0.31 0.00 0.00 0.00 0.00 54.91 55.03 1a9x h ALA 2681Cb 1.05 0.13 -0.13 0.00 0.00 0.00 0.00 17.79 18.83 1a9x h ALA 2681CO 0.10 -0.44 0.62 0.28 0.00 0.00 0.00 179.25 179.81 1a9x h VAL 2682N -0.81 0.37 0.20 0.00 2.07 -0.93 0.20 116.25 117.34 1a9x h VAL 2682Ca -0.03 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1a9x h VAL 2682Cb 0.51 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1a9x h VAL 2682CO 0.05 0.07 -0.10 -0.33 0.02 0.00 0.00 177.57 177.29 1a9x h GLU 2683N 0.36 -0.26 -0.81 1.57 5.08 -1.28 -1.80 114.58 117.44 1a9x h GLU 2683Ca 0.70 0.02 0.28 0.00 -1.00 0.00 0.00 59.36 59.36 1a9x h GLU 2683Cb 1.65 0.06 -0.15 0.00 0.50 0.00 0.00 28.75 30.81 1a9x h GLU 2683CO -0.51 -0.17 0.21 -2.13 -1.00 0.00 0.00 179.01 175.41 1a9x n ARG 2684N -2.80 -0.06 0.10 2.33 0.63 -0.31 0.33 116.66 116.88 1a9x n ARG 2684Ca -0.03 1.17 0.13 0.00 -0.92 0.00 0.00 57.85 58.20 1a9x n ARG 2684Cb 0.10 -1.97 0.37 0.00 0.45 0.00 0.00 32.46 31.41 1a9x n ARG 2684CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1a9x n LEU 2685N -5.01 0.80 -3.12 6.15 4.77 -0.09 -4.98 117.00 115.51 1a9x n LEU 2685Ca 0.25 0.53 -0.12 0.00 -0.03 0.00 0.00 56.01 56.63 1a9x n LEU 2685Cb 0.82 -0.30 0.06 0.00 -2.33 0.00 0.00 43.42 41.67 1a9x n LEU 2685CO -0.03 -0.16 0.06 0.29 -1.33 0.00 0.00 177.39 176.22 1a9x n LYS 2686N -2.24 -2.01 -4.51 3.23 5.02 1.01 -5.05 118.16 113.61 1a9x n LYS 2686Ca 0.05 0.89 -0.28 0.00 -2.02 0.00 0.00 58.31 56.95 1a9x n LYS 2686Cb 0.43 -5.56 -0.10 0.00 -0.02 0.00 0.00 35.03 29.78 1a9x n LYS 2686CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1a9x s LEU 2687N -5.08 2.87 -0.32 -0.35 1.43 -0.75 -5.05 118.68 111.44 1a9x s LEU 2687Ca 0.38 -1.33 -0.20 0.00 -1.03 0.00 0.00 54.13 51.95 1a9x s LEU 2687Cb -0.05 -1.01 -0.01 0.00 0.03 0.00 0.00 46.19 45.15 1a9x s LEU 2687CO 0.69 -0.52 0.63 -0.54 0.23 0.00 0.00 176.35 176.85 1a9x s LYS 2688N -3.78 3.85 -0.00 1.70 1.02 -1.26 -4.77 119.74 116.50 1a9x s LYS 2688Ca 0.34 0.25 0.05 0.00 0.02 0.00 0.00 55.97 56.62 1a9x s LYS 2688Cb 0.08 -3.75 -0.01 0.00 -0.52 0.00 0.00 37.83 33.63 1a9x s LYS 2688CO 0.18 -0.61 -0.16 -1.14 -0.92 0.00 0.00 175.35 172.69 1a9x s GLN 2689N 2.64 1.27 0.44 1.68 0.74 -1.26 0.25 119.66 125.42 1a9x s GLN 2689Ca 0.25 -0.62 -0.25 0.00 0.05 0.00 0.00 55.36 54.79 1a9x s GLN 2689Cb -0.15 -1.25 -0.08 0.00 1.10 0.00 0.00 33.01 32.64 1a9x s GLN 2689CO 0.12 0.34 1.27 -2.14 -0.55 0.00 0.00 175.29 174.33 1a9x s PRO 2690N -0.52 3.79 -0.10 1.67 0.02 -1.26 -4.88 135.00 133.72 1a9x s PRO 2690Ca 0.06 2.06 -0.37 0.00 0.02 0.00 0.00 61.00 62.76 1a9x s PRO 2690Cb -0.07 -2.59 -0.15 0.00 0.02 0.00 0.00 34.50 31.71 1a9x s PRO 2690CO -0.00 -0.61 1.65 0.00 -0.33 0.00 0.00 177.00 177.71 1a9x n ALA 2691N -0.20 -0.03 -2.13 -1.55 0.00 -1.26 -4.57 120.51 110.76 1a9x n ALA 2691Ca 0.06 0.41 -0.09 0.00 0.00 0.00 0.00 53.44 53.81 1a9x n ALA 2691Cb 0.45 -2.25 -0.10 0.00 0.00 0.00 0.00 19.45 17.55 1a9x n ALA 2691CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1a9x s ASN 2692N 2.58 0.64 0.09 0.00 2.20 -1.26 0.16 114.94 119.35 1a9x s ASN 2692Ca 0.92 -1.06 -0.14 0.00 -0.94 0.00 0.00 52.86 51.63 1a9x s ASN 2692Cb -0.93 0.19 0.02 0.00 -2.00 0.00 0.00 41.25 38.54 1a9x s ASN 2692CO 0.55 -0.60 0.34 0.00 -2.94 0.00 0.00 177.10 174.45 1a9x s ALA 2693N -3.87 -0.73 -0.63 3.54 0.00 0.81 -5.00 121.76 115.88 1a9x s ALA 2693Ca 0.13 -0.13 0.06 0.00 0.00 0.00 0.00 51.96 52.02 1a9x s ALA 2693Cb 0.07 0.54 0.23 0.00 0.00 0.00 0.00 23.12 23.97 1a9x s ALA 2693CO -0.05 -0.55 0.68 2.41 0.00 0.00 0.00 175.76 178.25 1a9x n THR 2694N 0.03 1.96 -1.11 0.00 -1.04 -1.26 0.23 114.28 113.09 1a9x n THR 2694Ca -0.17 -5.04 -0.32 0.00 -2.04 0.00 0.00 64.05 56.48 1a9x n THR 2694Cb 0.62 -2.10 0.12 0.00 -1.82 0.00 0.00 70.33 67.15 1a9x n THR 2694CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1a9x s VAL 2695N -2.16 2.59 -0.00 12.58 1.01 -0.93 -4.87 120.40 128.61 1a9x s VAL 2695Ca 0.37 0.22 -0.04 0.00 0.00 0.00 0.00 61.98 62.52 1a9x s VAL 2695Cb 0.11 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 1a9x s VAL 2695CO -0.05 -0.22 -0.09 0.41 0.00 0.00 0.00 175.10 175.15 1a9x n THR 2696N -3.54 1.00 -3.47 3.92 -1.04 -1.26 -3.54 114.28 106.34 1a9x n THR 2696Ca 0.11 0.20 -0.20 0.00 -2.04 0.00 0.00 64.05 62.12 1a9x n THR 2696Cb 0.52 -1.72 -0.02 0.00 -1.82 0.00 0.00 70.33 67.29 1a9x n THR 2696CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a9x s ALA 2697N -2.19 4.14 0.00 2.41 0.00 -1.26 -4.94 121.76 119.92 1a9x s ALA 2697Ca -0.08 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.06 1a9x s ALA 2697Cb 0.02 -1.15 0.00 0.00 0.00 0.00 0.00 23.12 21.99 1a9x s ALA 2697CO 0.11 -0.22 0.96 -0.89 0.00 0.00 0.00 175.76 175.73 1a9x n ILE 2698N -1.59 0.00 -0.38 0.00 -0.00 -1.26 -2.05 119.36 114.07 1a9x n ILE 2698Ca 0.04 1.46 0.30 0.00 -0.00 0.00 0.00 62.75 64.56 1a9x n ILE 2698Cb 0.61 -2.34 0.58 0.00 -0.00 0.00 0.00 39.64 38.49 1a9x n ILE 2698CO 0.00 0.00 0.00 -0.33 -0.00 0.00 0.00 176.55 176.22 1a9x h GLU 2699N 0.00 0.20 -0.66 0.38 4.39 -2.00 0.38 114.58 117.27 1a9x h GLU 2699Ca 0.00 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 1a9x h GLU 2699Cb 0.00 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 1a9x h GLU 2699CO 0.00 0.13 0.29 1.98 -1.16 0.00 0.00 179.01 180.25 1a9x h MET 2700N 0.21 0.98 -0.14 2.33 4.05 -1.94 -2.75 114.93 117.68 1a9x h MET 2700Ca 0.75 -0.17 -0.02 0.00 -0.28 0.00 0.00 59.70 59.98 1a9x h MET 2700Cb 2.10 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 32.73 1a9x h MET 2700CO -0.44 0.80 0.01 0.00 0.23 0.00 0.00 176.91 177.51 1a9x h ALA 2701N 1.13 0.18 -0.97 0.39 0.00 0.34 -0.95 119.26 119.38 1a9x h ALA 2701Ca 0.22 -0.18 0.21 0.00 0.00 0.00 0.00 54.91 55.16 1a9x h ALA 2701Cb 0.17 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 17.80 1a9x h ALA 2701CO -0.02 -0.13 0.55 0.28 0.00 0.00 0.00 179.25 179.93 1a9x h VAL 2702N -0.02 0.61 0.52 0.00 2.07 -1.34 1.88 116.25 119.97 1a9x h VAL 2702Ca 0.04 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 1a9x h VAL 2702Cb 0.35 -0.07 0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1a9x h VAL 2702CO 0.01 0.11 -0.25 -0.08 0.02 0.00 0.00 177.57 177.38 1a9x h GLU 2703N 0.62 -0.68 -0.76 1.57 4.57 -1.37 -1.57 114.58 116.97 1a9x h GLU 2703Ca 0.59 0.05 0.16 0.00 -1.18 0.00 0.00 59.36 58.97 1a9x h GLU 2703Cb 1.02 0.15 -0.10 0.00 -0.16 0.00 0.00 28.75 29.66 1a9x h GLU 2703CO -0.44 -0.41 0.26 0.87 -1.18 0.00 0.00 179.01 178.11 1a9x h LYS 2704N -1.14 0.36 -0.30 1.92 6.56 0.29 0.21 116.57 124.46 1a9x h LYS 2704Ca -0.07 -0.02 0.06 0.00 -1.06 0.00 0.00 60.65 59.55 1a9x h LYS 2704Cb 0.58 -0.08 -0.05 0.00 -0.57 0.00 0.00 32.23 32.10 1a9x h LYS 2704CO 0.12 0.24 -0.04 0.00 -2.06 0.00 0.00 179.45 177.70 1a9x h ALA 2705N 1.59 0.23 -0.76 3.86 0.00 0.29 0.24 119.26 124.71 1a9x h ALA 2705Ca 0.43 0.10 0.17 0.00 0.00 0.00 0.00 54.91 55.62 1a9x h ALA 2705Cb 0.71 0.19 -0.12 0.00 0.00 0.00 0.00 17.79 18.57 1a9x h ALA 2705CO -0.46 -0.44 0.16 0.87 0.00 0.00 0.00 179.25 179.38 1a9x h LYS 2706N 0.04 0.22 0.29 0.00 6.56 0.43 1.42 116.57 125.53 1a9x h LYS 2706Ca 0.15 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.71 1a9x h LYS 2706Cb 0.21 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 31.82 1a9x h LYS 2706CO -0.28 0.15 -0.15 0.93 -2.06 0.00 0.00 179.45 178.03 1a9x h GLU 2707N 0.23 -0.39 -0.16 3.15 5.08 -0.04 -3.30 114.58 119.15 1a9x h GLU 2707Ca 0.44 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.87 1a9x h GLU 2707Cb 0.78 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.08 1a9x h GLU 2707CO -0.56 -0.26 -0.11 0.82 -1.00 0.00 0.00 179.01 177.90 1a9x h ILE 2708N -0.40 0.68 0.00 3.13 2.04 -0.29 -3.50 117.51 119.16 1a9x h ILE 2708Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1a9x h ILE 2708Cb 0.31 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1a9x h ILE 2708CO 0.06 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.82 1a9x n GLY 2709N -1.26 0.50 3.90 5.37 0.00 0.48 -4.86 105.19 109.33 1a9x n GLY 2709Ca -0.03 -1.55 -0.28 0.00 0.00 0.00 0.00 46.02 44.16 1a9x n GLY 2709CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a9x s TYR 2710N -2.29 3.40 0.57 1.61 1.51 -1.26 -4.36 117.35 116.53 1a9x s TYR 2710Ca 0.00 0.85 -0.15 0.00 -1.01 0.00 0.00 57.07 56.75 1a9x s TYR 2710Cb 0.00 -2.68 -0.05 0.00 -0.11 0.00 0.00 41.96 39.12 1a9x s TYR 2710CO 0.00 -0.73 1.02 -1.25 -1.11 0.00 0.00 175.55 173.48 1a9x s PRO 2711N -5.02 3.58 0.21 -1.71 0.04 -1.26 -4.88 135.00 125.96 1a9x s PRO 2711Ca 0.53 1.04 0.06 0.00 0.04 0.00 0.00 61.00 62.67 1a9x s PRO 2711Cb -0.11 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 1a9x s PRO 2711CO 0.47 -0.59 0.20 -0.51 0.04 0.00 0.00 177.00 176.62 1a9x s LEU 2712N -4.46 3.92 -0.43 -3.56 1.02 0.33 0.61 118.68 116.11 1a9x s LEU 2712Ca 0.60 -0.14 -0.02 0.00 0.02 0.00 0.00 54.13 54.60 1a9x s LEU 2712Cb -0.13 -2.48 0.12 0.00 0.02 0.00 0.00 46.19 43.72 1a9x s LEU 2712CO 0.38 -0.00 0.21 -0.69 0.02 0.00 0.00 176.35 176.26 1a9x s VAL 2713N -1.96 3.16 -0.76 -1.59 1.01 0.28 -0.87 120.40 119.67 1a9x s VAL 2713Ca 0.32 -2.25 -0.19 0.00 0.00 0.00 0.00 61.98 59.87 1a9x s VAL 2713Cb -0.09 -3.18 0.12 0.00 0.00 0.00 0.00 36.38 33.24 1a9x s VAL 2713CO 0.25 -0.70 0.92 -0.69 0.00 0.00 0.00 175.10 174.88 1a9x s VAL 2714N 0.92 4.80 -0.19 2.92 1.01 0.16 -1.97 120.40 128.05 1a9x s VAL 2714Ca 0.10 -1.30 -0.12 0.00 0.00 0.00 0.00 61.98 60.66 1a9x s VAL 2714Cb -0.22 -4.63 -0.05 0.00 0.00 0.00 0.00 36.38 31.48 1a9x s VAL 2714CO -0.05 -1.32 0.22 -0.13 0.00 0.00 0.00 175.10 173.82 1a9x s ARG 2715N 2.59 4.21 -0.07 2.72 0.52 -0.97 -2.39 118.95 125.55 1a9x s ARG 2715Ca 0.22 -0.07 -0.04 0.00 -0.52 0.00 0.00 55.73 55.32 1a9x s ARG 2715Cb -0.14 -3.44 -0.01 0.00 0.52 0.00 0.00 34.95 31.88 1a9x s ARG 2715CO -0.01 0.23 -0.08 0.00 0.02 0.00 0.00 175.30 175.45 1a9x h ALA 2716N 6.81 0.00 -0.86 2.13 0.00 -1.96 0.11 119.26 125.49 1a9x h ALA 2716Ca -0.40 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1a9x h ALA 2716Cb 1.16 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1a9x h ALA 2716CO 0.75 0.23 0.00 0.00 0.00 0.00 0.00 179.25 180.23 1a9x n ALA 2724N -2.92 -1.26 -3.69 0.00 0.00 -1.26 -4.41 120.51 106.96 1a9x n ALA 2724Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.31 1a9x n ALA 2724Cb 0.12 -0.43 -0.11 0.00 0.00 0.00 0.00 19.45 19.04 1a9x n ALA 2724CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1a9x s MET 2725N -3.75 0.38 0.32 0.00 1.00 -1.26 -5.05 119.30 110.94 1a9x s MET 2725Ca 0.00 0.83 0.05 0.00 0.00 0.00 0.00 55.69 56.57 1a9x s MET 2725Cb 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 34.83 34.79 1a9x s MET 2725CO 0.00 -0.17 0.02 -2.00 0.00 0.00 0.00 175.02 172.86 1a9x s GLU 2726N 1.59 1.64 -0.14 2.03 2.12 -1.01 -4.71 118.70 120.23 1a9x s GLU 2726Ca -0.08 -1.89 0.01 0.00 0.36 0.00 0.00 54.97 53.37 1a9x s GLU 2726Cb -0.09 -1.03 0.02 0.00 0.26 0.00 0.00 34.13 33.29 1a9x s GLU 2726CO -0.13 -0.10 -0.18 0.42 -0.54 0.00 0.00 175.26 174.73 1a9x s ILE 2727N -3.15 1.78 -0.10 -3.70 1.01 -1.26 -0.67 121.20 115.12 1a9x s ILE 2727Ca 0.34 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 60.20 1a9x s ILE 2727Cb 0.07 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 1a9x s ILE 2727CO 0.14 0.50 -0.09 -0.69 0.00 0.00 0.00 174.94 174.80 1a9x s VAL 2728N 1.14 3.48 -0.26 2.92 1.01 -0.05 -4.91 120.40 123.73 1a9x s VAL 2728Ca -0.01 -0.54 0.17 0.00 0.00 0.00 0.00 61.98 61.59 1a9x s VAL 2728Cb -0.14 -2.44 -0.23 0.00 0.00 0.00 0.00 36.38 33.56 1a9x s VAL 2728CO -0.06 0.56 0.47 -1.22 0.00 0.00 0.00 175.10 174.84 1a9x n TYR 2729N 2.81 0.00 -3.99 5.22 4.02 -1.26 0.12 117.16 124.08 1a9x n TYR 2729Ca -0.18 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.62 1a9x n TYR 2729Cb 0.53 -0.26 -0.05 0.00 -0.02 0.00 0.00 39.34 39.54 1a9x n TYR 2729CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 1a9x s ASP 2730N -3.47 -0.09 0.12 7.72 1.47 -1.26 -4.61 116.67 116.55 1a9x s ASP 2730Ca -0.02 -0.92 -0.29 0.00 1.18 0.00 0.00 52.55 52.49 1a9x s ASP 2730Cb 0.11 0.60 -0.07 0.00 -0.34 0.00 0.00 42.92 43.22 1a9x s ASP 2730CO 0.68 -1.16 1.59 -0.08 0.68 0.00 0.00 175.17 176.89 1a9x h GLU 2731N 2.24 -0.53 -0.35 2.11 4.81 -1.97 0.34 114.58 121.22 1a9x h GLU 2731Ca -0.26 0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.08 1a9x h GLU 2731Cb 1.25 0.12 -0.09 0.00 0.63 0.00 0.00 28.75 30.67 1a9x h GLU 2731CO 0.35 -0.36 -0.33 0.00 -0.73 0.00 0.00 179.01 177.94 1a9x h ALA 2732N 0.03 -0.24 -1.01 2.92 0.00 -1.99 0.27 119.26 119.23 1a9x h ALA 2732Ca 0.05 0.08 0.27 0.00 0.00 0.00 0.00 54.91 55.31 1a9x h ALA 2732Cb 0.63 0.70 -0.13 0.00 0.00 0.00 0.00 17.79 19.00 1a9x h ALA 2732CO -0.31 -0.75 0.60 -0.44 0.00 0.00 0.00 179.25 178.35 1a9x h ASP 2733N -0.29 0.62 -0.40 0.00 5.19 -1.84 0.22 116.42 119.92 1a9x h ASP 2733Ca 0.15 0.14 -0.14 0.00 -0.62 0.00 0.00 57.03 56.57 1a9x h ASP 2733Cb 0.54 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.10 1a9x h ASP 2733CO -0.50 0.05 -0.30 0.25 -3.12 0.00 0.00 179.24 175.61 1a9x h LEU 2734N 0.51 0.96 0.55 1.55 5.85 0.16 -1.49 115.31 123.40 1a9x h LEU 2734Ca 0.66 -0.44 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 1a9x h LEU 2734Cb 1.36 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 42.13 1a9x h LEU 2734CO -0.49 1.19 -0.27 0.03 -0.34 0.00 0.00 178.44 178.57 1a9x h ARG 2735N 0.73 -0.72 -0.42 1.25 3.08 0.54 -2.78 114.38 116.07 1a9x h ARG 2735Ca 0.08 0.05 0.12 0.00 0.07 0.00 0.00 59.98 60.29 1a9x h ARG 2735Cb 0.88 0.16 -0.08 0.00 0.08 0.00 0.00 29.97 31.02 1a9x h ARG 2735CO 0.08 -0.41 0.02 -2.13 -1.07 0.00 0.00 179.97 176.46 1a9x n ARG 2736N -5.34 -0.03 0.00 0.04 0.63 0.39 0.21 116.66 112.57 1a9x n ARG 2736Ca -0.12 0.62 0.00 0.00 -0.92 0.00 0.00 57.85 57.43 1a9x n ARG 2736Cb 0.33 -0.99 0.00 0.00 0.45 0.00 0.00 32.46 32.25 1a9x n ARG 2736CO 0.00 0.00 0.00 0.98 -2.51 0.00 0.00 177.63 176.10 1a9x n TYR 2737N -4.40 0.00 -0.56 -0.14 9.36 -0.57 -2.98 117.16 117.88 1a9x n TYR 2737Ca 0.10 0.00 0.43 0.00 3.32 0.00 0.00 57.90 61.76 1a9x n TYR 2737Cb 0.33 -0.40 0.69 0.00 -0.63 0.00 0.00 39.34 39.33 1a9x n TYR 2737CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 1a9x n PHE 2738N -1.71 0.24 0.06 2.98 3.72 0.13 0.23 117.46 123.11 1a9x n PHE 2738Ca 0.00 0.24 -0.03 0.00 -0.05 0.00 0.00 57.45 57.62 1a9x n PHE 2738Cb 0.00 -0.68 -0.01 0.00 -0.94 0.00 0.00 39.48 37.85 1a9x n PHE 2738CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1a9x h GLN 2739N 0.00 -0.16 -0.97 -1.08 4.15 -1.25 -3.24 115.11 112.56 1a9x h GLN 2739Ca 0.82 0.01 0.19 0.00 0.77 0.00 0.00 58.65 60.44 1a9x h GLN 2739Cb 3.07 0.04 -0.11 0.00 0.21 0.00 0.00 27.48 30.69 1a9x h GLN 2739CO -0.17 -0.11 0.56 1.79 -1.93 0.00 0.00 178.83 178.98 1a9x h THR 2740N -0.28 0.68 0.00 2.39 1.35 -0.26 -3.52 112.91 113.28 1a9x h THR 2740Ca -0.02 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1a9x h THR 2740Cb 0.13 -0.08 0.00 0.00 -1.73 0.00 0.00 68.15 66.47 1a9x h THR 2740CO 0.03 0.13 0.00 0.00 -0.25 0.00 0.00 175.52 175.43 1a9x n ALA 2741N -2.36 0.00 0.00 6.62 0.00 0.63 -5.09 120.51 120.31 1a9x n ALA 2741Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1a9x n ALA 2741Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1a9x n ALA 2741CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1a9x n VAL 2750N 0.00 0.00 -3.76 0.00 0.31 -1.23 -4.99 118.33 108.66 1a9x n VAL 2750Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.97 1a9x n VAL 2750Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 1a9x n VAL 2750CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1a9x s LEU 2751N 0.00 4.40 -0.12 7.52 1.02 0.37 -2.19 118.68 129.68 1a9x s LEU 2751Ca 0.00 0.60 0.02 0.00 0.02 0.00 0.00 54.13 54.77 1a9x s LEU 2751Cb 0.00 -2.38 0.01 0.00 0.02 0.00 0.00 46.19 43.84 1a9x s LEU 2751CO 0.00 0.34 -0.18 -0.76 0.02 0.00 0.00 176.35 175.77 1a9x s LEU 2752N -1.29 1.86 0.06 1.79 1.02 0.14 -2.30 118.68 119.96 1a9x s LEU 2752Ca 0.21 -0.49 0.05 0.00 0.02 0.00 0.00 54.13 53.92 1a9x s LEU 2752Cb -0.13 -1.22 -0.03 0.00 0.02 0.00 0.00 46.19 44.83 1a9x s LEU 2752CO 0.10 0.04 -0.14 -1.81 0.02 0.00 0.00 176.35 174.56 1a9x s ASP 2753N 0.93 1.60 0.20 2.29 1.11 -0.83 -0.14 116.67 121.82 1a9x s ASP 2753Ca -0.07 -0.57 -0.30 0.00 0.18 0.00 0.00 52.55 51.80 1a9x s ASP 2753Cb -0.15 -0.06 -0.08 0.00 1.07 0.00 0.00 42.92 43.70 1a9x s ASP 2753CO -0.02 -0.06 1.24 -2.28 1.18 0.00 0.00 175.17 175.24 1a9x s HIS 2754N -1.16 3.35 -0.40 4.23 5.65 0.42 -0.56 115.29 126.83 1a9x s HIS 2754Ca -0.02 1.36 -0.25 0.00 0.25 0.00 0.00 55.06 56.40 1a9x s HIS 2754Cb -0.09 -3.50 0.02 0.00 -1.18 0.00 0.00 32.58 27.83 1a9x s HIS 2754CO 0.02 -1.45 0.90 0.12 -0.65 0.00 0.00 174.74 173.68 1a9x s PHE 2755N -0.06 3.03 -0.96 3.88 5.36 0.20 -4.72 117.98 124.71 1a9x s PHE 2755Ca 0.54 0.62 -0.24 0.00 -0.96 0.00 0.00 56.93 56.89 1a9x s PHE 2755Cb -0.34 -3.71 0.02 0.00 -0.34 0.00 0.00 43.02 38.65 1a9x s PHE 2755CO 0.38 -0.90 1.56 -0.51 -1.46 0.00 0.00 175.22 174.29 1a9x s LEU 2756N 3.51 3.39 0.49 6.12 1.43 -1.26 -4.42 118.68 127.94 1a9x s LEU 2756Ca 0.37 -1.15 -0.22 0.00 -1.03 0.00 0.00 54.13 52.10 1a9x s LEU 2756Cb -0.12 -2.57 -0.06 0.00 0.03 0.00 0.00 46.19 43.47 1a9x s LEU 2756CO 0.21 -1.83 1.23 -0.62 0.23 0.00 0.00 176.35 175.57 1a9x s ASP 2757N 5.64 5.84 -1.65 2.29 -1.08 -1.26 -3.58 116.67 122.86 1a9x s ASP 2757Ca 0.51 2.47 -0.18 0.00 -0.52 0.00 0.00 52.55 54.83 1a9x s ASP 2757Cb -0.02 -2.61 0.14 0.00 -1.46 0.00 0.00 42.92 38.97 1a9x s ASP 2757CO -0.05 -1.16 0.81 0.47 0.52 0.00 0.00 175.17 175.77 1a9x n ASP 2758N -0.70 -3.64 -4.94 -0.34 8.00 -1.26 -4.95 116.55 108.72 1a9x n ASP 2758Ca 0.08 -0.94 -0.25 0.00 0.71 0.00 0.00 54.79 54.40 1a9x n ASP 2758Cb 0.47 -2.96 -0.03 0.00 -0.02 0.00 0.00 41.12 38.58 1a9x n ASP 2758CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a9x s ALA 2759N -3.26 3.94 -0.16 2.24 0.00 -1.24 -4.85 121.76 118.43 1a9x s ALA 2759Ca 0.72 -1.07 -0.09 0.00 0.00 0.00 0.00 51.96 51.52 1a9x s ALA 2759Cb -0.39 -1.75 -0.05 0.00 0.00 0.00 0.00 23.12 20.94 1a9x s ALA 2759CO 0.89 0.49 0.14 0.08 0.00 0.00 0.00 175.76 177.37 1a9x s VAL 2760N -1.78 5.44 -0.15 0.00 1.01 -0.77 -2.59 120.40 121.56 1a9x s VAL 2760Ca 0.34 0.22 -0.08 0.00 0.00 0.00 0.00 61.98 62.46 1a9x s VAL 2760Cb -0.11 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1a9x s VAL 2760CO 0.28 0.51 0.14 -0.70 0.00 0.00 0.00 175.10 175.34 1a9x s GLU 2761N -0.23 3.72 0.03 2.72 2.12 -1.26 0.22 118.70 126.02 1a9x s GLU 2761Ca 0.11 -0.15 0.04 0.00 0.36 0.00 0.00 54.97 55.33 1a9x s GLU 2761Cb -0.12 -3.27 -0.02 0.00 0.26 0.00 0.00 34.13 30.98 1a9x s GLU 2761CO 0.01 0.60 -0.13 0.08 -0.54 0.00 0.00 175.26 175.29 1a9x s VAL 2762N -0.52 0.98 -0.09 3.70 1.01 -0.50 -1.86 120.40 123.12 1a9x s VAL 2762Ca 0.13 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.29 1a9x s VAL 2762Cb -0.12 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 1a9x s VAL 2762CO 0.02 0.04 -0.18 -1.81 0.00 0.00 0.00 175.10 173.16 1a9x s ASP 2763N -0.92 3.62 -0.12 3.32 1.01 0.93 -1.81 116.67 122.70 1a9x s ASP 2763Ca 0.01 -0.39 0.00 0.00 0.71 0.00 0.00 52.55 52.89 1a9x s ASP 2763Cb -0.07 -1.21 0.02 0.00 1.01 0.00 0.00 42.92 42.67 1a9x s ASP 2763CO 0.01 0.22 -0.10 -0.69 0.21 0.00 0.00 175.17 174.82 1a9x s VAL 2764N -0.02 1.20 -0.12 -1.27 1.01 0.48 0.12 120.40 121.80 1a9x s VAL 2764Ca -0.06 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 1a9x s VAL 2764Cb -0.15 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 1a9x s VAL 2764CO 0.05 0.39 -0.00 -1.81 0.00 0.00 0.00 175.10 173.73 1a9x s ASP 2765N 1.49 5.17 0.23 3.32 1.01 -0.63 -0.13 116.67 127.13 1a9x s ASP 2765Ca 0.02 0.06 -0.17 0.00 0.71 0.00 0.00 52.55 53.17 1a9x s ASP 2765Cb -0.13 -1.62 0.02 0.00 1.01 0.00 0.00 42.92 42.20 1a9x s ASP 2765CO -0.07 0.29 0.55 0.00 0.21 0.00 0.00 175.17 176.15 1a9x s ALA 2766N -0.38 -0.80 -0.06 5.23 0.00 -0.72 0.19 121.76 125.22 1a9x s ALA 2766Ca 0.07 -0.43 0.04 0.00 0.00 0.00 0.00 51.96 51.65 1a9x s ALA 2766Cb -0.12 0.91 -0.00 0.00 0.00 0.00 0.00 23.12 23.91 1a9x s ALA 2766CO 0.02 -0.87 -0.18 0.42 0.00 0.00 0.00 175.76 175.16 1a9x s ILE 2767N -3.92 1.52 -0.09 0.00 1.01 -0.29 -1.11 121.20 118.31 1a9x s ILE 2767Ca 0.13 -0.74 0.03 0.00 0.00 0.00 0.00 60.65 60.07 1a9x s ILE 2767Cb -0.02 -1.32 0.01 0.00 0.01 0.00 0.00 42.46 41.14 1a9x s ILE 2767CO 0.02 0.44 -0.20 0.00 0.00 0.00 0.00 174.94 175.21 1a9x n ASP 2769N 3.65 3.90 0.00 0.00 5.68 -0.25 -1.95 116.55 127.59 1a9x n ASP 2769Ca -0.20 -2.79 0.00 0.00 -0.50 0.00 0.00 54.79 51.30 1a9x n ASP 2769Cb 0.52 -0.50 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 1a9x n ASP 2769CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a9x n GLY 2770N -0.14 2.99 0.10 6.12 0.00 -1.26 -4.64 105.19 108.36 1a9x n GLY 2770Ca 0.20 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 1a9x n GLY 2770CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1a9x n GLU 2771N -2.00 0.50 -4.08 1.61 2.13 -1.26 -5.07 120.64 112.47 1a9x n GLU 2771Ca 0.00 0.12 -0.11 0.00 0.66 0.00 0.00 57.16 57.82 1a9x n GLU 2771Cb 0.00 -1.40 -0.06 0.00 0.27 0.00 0.00 31.44 30.25 1a9x n GLU 2771CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1a9x s MET 2772N -2.40 1.55 -0.27 5.31 0.23 -1.26 -5.16 119.30 117.31 1a9x s MET 2772Ca -0.27 -1.49 0.01 0.00 -1.03 0.00 0.00 55.69 52.91 1a9x s MET 2772Cb 0.07 0.41 0.07 0.00 -1.53 0.00 0.00 34.83 33.85 1a9x s MET 2772CO 0.46 -0.62 -0.01 0.08 -2.03 0.00 0.00 175.02 172.91 1a9x s VAL 2773N -3.80 1.61 -0.24 5.16 1.01 -1.26 -1.09 120.40 121.79 1a9x s VAL 2773Ca 0.29 -1.50 -0.22 0.00 0.00 0.00 0.00 61.98 60.55 1a9x s VAL 2773Cb 0.01 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 1a9x s VAL 2773CO 0.13 -0.30 0.71 -0.22 0.00 0.00 0.00 175.10 175.42 1a9x s LEU 2774N 1.32 4.08 -0.15 3.92 2.96 0.79 -4.90 118.68 126.70 1a9x s LEU 2774Ca 0.00 0.85 -0.29 0.00 -0.22 0.00 0.00 54.13 54.47 1a9x s LEU 2774Cb -0.19 -2.99 -0.02 0.00 0.50 0.00 0.00 46.19 43.50 1a9x s LEU 2774CO -0.10 -0.42 1.30 -0.63 -1.32 0.00 0.00 176.35 175.18 1a9x s ILE 2775N 2.58 4.21 -0.12 6.68 -1.09 -1.26 -1.14 121.20 131.05 1a9x s ILE 2775Ca 0.30 1.47 -0.08 0.00 -2.23 0.00 0.00 60.65 60.10 1a9x s ILE 2775Cb -0.15 -3.95 -0.26 0.00 -1.58 0.00 0.00 42.46 36.52 1a9x s ILE 2775CO 0.08 -0.12 0.37 0.61 -1.23 0.00 0.00 174.94 174.65 1a9x n GLY 2776N 3.64 -0.59 0.00 6.18 0.00 0.13 -4.29 105.19 110.26 1a9x n GLY 2776Ca 0.14 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1a9x n GLY 2776CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 2777N 1.93 1.26 3.56 -0.02 0.00 -0.07 -4.77 105.19 107.09 1a9x n GLY 2777Ca -0.32 0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 1a9x n GLY 2777CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a9x s ILE 2778N -0.25 5.16 -0.05 -0.61 1.01 -1.26 -1.61 121.20 123.60 1a9x s ILE 2778Ca 0.00 0.05 0.05 0.00 0.00 0.00 0.00 60.65 60.76 1a9x s ILE 2778Cb 0.00 -3.49 -0.02 0.00 0.01 0.00 0.00 42.46 38.96 1a9x s ILE 2778CO 0.00 0.22 -0.21 -0.04 0.00 0.00 0.00 174.94 174.91 1a9x s MET 2779N 1.73 2.50 -0.25 2.79 -1.94 0.32 -4.10 119.30 120.35 1a9x s MET 2779Ca 0.07 -0.82 -0.09 0.00 -1.71 0.00 0.00 55.69 53.13 1a9x s MET 2779Cb -0.16 -2.24 -0.04 0.00 2.01 0.00 0.00 34.83 34.39 1a9x s MET 2779CO 0.10 0.49 0.13 -2.00 -0.01 0.00 0.00 175.02 173.73 1a9x s GLU 2780N -0.42 3.87 0.37 2.03 2.12 -0.66 -0.05 118.70 125.96 1a9x s GLU 2780Ca 0.04 -0.37 -0.24 0.00 0.36 0.00 0.00 54.97 54.76 1a9x s GLU 2780Cb -0.12 -3.48 -0.10 0.00 0.26 0.00 0.00 34.13 30.68 1a9x s GLU 2780CO 0.02 -0.10 0.95 -1.01 -0.54 0.00 0.00 175.26 174.58 1a9x s HIS 2781N 1.47 3.53 -0.09 5.30 3.76 -0.78 0.60 115.29 129.09 1a9x s HIS 2781Ca 0.06 1.72 -0.03 0.00 -0.15 0.00 0.00 55.06 56.66 1a9x s HIS 2781Cb -0.15 -2.91 -0.02 0.00 1.11 0.00 0.00 32.58 30.61 1a9x s HIS 2781CO 0.07 0.04 0.12 0.82 -0.85 0.00 0.00 174.74 174.93 1a9x h ILE 2782N 2.34 0.07 -3.77 0.60 5.03 -1.43 -3.43 117.51 116.91 1a9x h ILE 2782Ca -0.48 -0.99 -0.53 0.00 -0.12 0.00 0.00 64.86 62.74 1a9x h ILE 2782Cb 1.19 0.13 0.09 0.00 -3.03 0.00 0.00 36.82 35.19 1a9x h ILE 2782CO 0.63 0.02 0.76 -1.61 -0.68 0.00 0.00 178.15 177.28 1a9x s GLU 2783N -1.83 4.19 0.98 2.37 8.01 -1.26 -4.74 118.70 126.42 1a9x s GLU 2783Ca -0.02 2.46 -0.12 0.00 0.01 0.00 0.00 54.97 57.30 1a9x s GLU 2783Cb 0.00 -3.02 0.18 0.00 -4.31 0.00 0.00 34.13 26.98 1a9x s GLU 2783CO 0.06 -0.46 1.09 1.14 0.01 0.00 0.00 175.26 177.10 1a9x s GLN 2784N -1.58 0.55 0.25 1.61 0.00 -1.26 -4.53 119.66 114.69 1a9x s GLN 2784Ca 0.54 0.57 -0.31 0.00 -0.00 0.00 0.00 55.36 56.16 1a9x s GLN 2784Cb -0.45 -1.75 -0.13 0.00 0.00 0.00 0.00 33.01 30.69 1a9x s GLN 2784CO 0.56 -2.67 1.46 0.00 0.00 0.00 0.00 175.29 174.64 1a9x n ALA 2785N -4.14 1.46 0.00 2.60 0.00 -1.07 -2.32 120.51 117.05 1a9x n ALA 2785Ca 0.05 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1a9x n ALA 2785Cb 0.57 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1a9x n ALA 2785CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a9x n GLY 2786N 2.23 2.00 3.21 0.00 0.00 -1.26 -4.76 105.19 106.60 1a9x n GLY 2786Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1a9x n GLY 2786CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a9x s VAL 2787N -1.83 3.16 0.16 1.61 1.01 -0.98 -1.92 120.40 121.62 1a9x s VAL 2787Ca 0.00 -1.21 -0.31 0.00 0.00 0.00 0.00 61.98 60.46 1a9x s VAL 2787Cb 0.00 -2.75 -0.17 0.00 0.00 0.00 0.00 36.38 33.46 1a9x s VAL 2787CO 0.00 -0.03 0.77 1.57 0.00 0.00 0.00 175.10 177.41 1a9x n HIS 2788N 4.68 0.17 -0.18 5.22 -0.00 0.37 -4.71 115.22 120.77 1a9x n HIS 2788Ca -0.14 0.92 0.16 0.00 0.46 0.00 0.00 57.72 59.12 1a9x n HIS 2788Cb 0.45 -2.06 0.50 0.00 -0.12 0.00 0.00 29.99 28.76 1a9x n HIS 2788CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1a9x h SER 2789N 1.83 0.40 0.58 0.26 4.64 -1.91 0.18 113.55 119.53 1a9x h SER 2789Ca -0.36 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1a9x h SER 2789Cb 1.41 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 1a9x h SER 2789CO 0.61 0.20 0.00 0.61 -0.87 0.00 0.00 176.83 177.37 1a9x n GLY 2790N -1.52 -1.13 0.29 -0.77 0.00 -1.26 -2.32 105.19 98.48 1a9x n GLY 2790Ca 0.15 0.04 0.03 0.00 0.00 0.00 0.00 46.02 46.25 1a9x n GLY 2790CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a9x n ASP 2791N -1.96 2.09 -4.85 1.61 8.00 0.59 -4.65 116.55 117.39 1a9x n ASP 2791Ca 0.02 -1.71 -0.36 0.00 0.71 0.00 0.00 54.79 53.46 1a9x n ASP 2791Cb 0.19 -0.07 -0.06 0.00 -0.02 0.00 0.00 41.12 41.16 1a9x n ASP 2791CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1a9x s SER 2792N -0.80 6.76 0.70 -2.24 0.01 -0.96 -4.81 113.70 112.36 1a9x s SER 2792Ca 0.10 0.94 -0.11 0.00 1.31 0.00 0.00 55.95 58.19 1a9x s SER 2792Cb 0.06 -2.24 0.01 0.00 0.21 0.00 0.00 66.02 64.06 1a9x s SER 2792CO 0.08 0.20 1.06 0.00 0.41 0.00 0.00 173.24 174.99 1a9x s ALA 2793N -1.32 2.68 0.09 1.44 0.00 -1.26 -4.68 121.76 118.72 1a9x s ALA 2793Ca 0.32 -0.02 -0.13 0.00 0.00 0.00 0.00 51.96 52.13 1a9x s ALA 2793Cb -0.15 -3.14 0.02 0.00 0.00 0.00 0.00 23.12 19.85 1a9x s ALA 2793CO 0.17 -1.23 0.30 0.00 0.00 0.00 0.00 175.76 175.01 1a9x s SER 2795N -2.68 2.22 -0.10 0.00 0.15 0.20 0.99 113.70 114.49 1a9x s SER 2795Ca 0.02 -0.35 -0.02 0.00 0.70 0.00 0.00 55.95 56.30 1a9x s SER 2795Cb 0.02 -0.43 0.04 0.00 -1.71 0.00 0.00 66.02 63.94 1a9x s SER 2795CO -0.10 0.20 0.04 -0.22 1.20 0.00 0.00 173.24 174.36 1a9x s LEU 2796N -0.21 0.50 0.86 3.45 0.20 0.12 -1.66 118.68 121.94 1a9x s LEU 2796Ca 0.02 -0.22 -0.12 0.00 0.69 0.00 0.00 54.13 54.50 1a9x s LEU 2796Cb -0.09 -0.34 0.11 0.00 -0.43 0.00 0.00 46.19 45.43 1a9x s LEU 2796CO 0.01 -0.25 1.10 -2.84 -0.29 0.00 0.00 176.35 174.08 1a9x s PRO 2797N 2.04 1.55 0.56 0.98 0.02 -1.26 0.54 135.00 139.42 1a9x s PRO 2797Ca 0.04 0.62 -0.18 0.00 0.02 0.00 0.00 61.00 61.49 1a9x s PRO 2797Cb -0.13 -1.86 -0.09 0.00 0.02 0.00 0.00 34.50 32.44 1a9x s PRO 2797CO -0.06 -1.99 0.55 0.00 -0.33 0.00 0.00 177.00 175.18 1a9x n ALA 2798N -3.68 -1.09 0.46 -1.55 0.00 -1.24 -4.84 120.51 108.57 1a9x n ALA 2798Ca 0.07 -0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.55 1a9x n ALA 2798Cb 0.57 -1.84 -0.06 0.00 0.00 0.00 0.00 19.45 18.12 1a9x n ALA 2798CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1a9x n TYR 2799N -1.61 0.00 -1.71 0.00 4.11 -1.26 -4.67 117.16 112.02 1a9x n TYR 2799Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.02 1a9x n TYR 2799Cb 0.47 -0.01 0.00 0.00 -0.00 0.00 0.00 39.34 39.80 1a9x n TYR 2799CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 1a9x n THR 2800N -1.25 0.00 -4.00 -3.48 -2.24 -1.26 -5.09 114.28 96.95 1a9x n THR 2800Ca 0.02 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.44 1a9x n THR 2800Cb 0.16 0.58 -0.07 0.00 -2.10 0.00 0.00 70.33 68.90 1a9x n THR 2800CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1a9x s LEU 2801N 0.00 4.18 0.48 3.22 1.43 -1.26 -5.04 118.68 121.69 1a9x s LEU 2801Ca 0.00 0.38 -0.22 0.00 -1.03 0.00 0.00 54.13 53.26 1a9x s LEU 2801Cb 0.00 -2.03 -0.07 0.00 0.03 0.00 0.00 46.19 44.12 1a9x s LEU 2801CO 0.00 0.39 1.17 -0.94 0.23 0.00 0.00 176.35 177.21 1a9x s SER 2802N -1.04 6.02 0.27 2.29 1.04 -1.26 -4.85 113.70 116.18 1a9x s SER 2802Ca 0.15 2.31 -0.03 0.00 0.48 0.00 0.00 55.95 58.86 1a9x s SER 2802Cb -0.12 -2.60 0.37 0.00 0.10 0.00 0.00 66.02 63.77 1a9x s SER 2802CO 0.04 -1.02 1.89 -0.61 0.98 0.00 0.00 173.24 174.52 1a9x h GLN 2803N 1.84 1.05 -0.44 4.02 5.75 -1.97 0.50 115.11 125.85 1a9x h GLN 2803Ca -0.50 -0.13 -0.08 0.00 -0.15 0.00 0.00 58.65 57.80 1a9x h GLN 2803Cb 1.25 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 29.59 1a9x h GLN 2803CO 0.59 0.79 -0.04 1.49 -2.65 0.00 0.00 178.83 179.01 1a9x h GLU 2804N 1.05 0.81 -0.24 1.69 4.81 -2.00 0.29 114.58 121.00 1a9x h GLU 2804Ca 0.26 -0.28 -0.12 0.00 -0.13 0.00 0.00 59.36 59.09 1a9x h GLU 2804Cb 0.06 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1a9x h GLU 2804CO -0.04 0.89 -0.35 0.82 -0.73 0.00 0.00 179.01 179.61 1a9x h ILE 2805N 0.65 1.29 -0.11 2.32 1.08 -1.61 -2.71 117.51 118.42 1a9x h ILE 2805Ca 0.12 -1.46 -0.09 0.00 -0.39 0.00 0.00 64.86 63.04 1a9x h ILE 2805Cb 0.56 1.48 -0.01 0.00 -3.07 0.00 0.00 36.82 35.78 1a9x h ILE 2805CO 0.03 0.46 -0.35 1.56 -0.69 0.00 0.00 178.15 179.16 1a9x h GLN 2806N 0.44 0.22 -0.92 2.37 4.20 0.41 -3.02 115.11 118.81 1a9x h GLN 2806Ca 0.05 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1a9x h GLN 2806Cb 0.81 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.54 1a9x h GLN 2806CO 0.07 0.55 0.53 -0.44 -0.67 0.00 0.00 178.83 178.86 1a9x h ASP 2807N 0.19 1.13 -0.71 1.46 3.32 -0.11 -1.94 116.42 119.77 1a9x h ASP 2807Ca 0.02 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.00 1a9x h ASP 2807Cb 0.72 -0.29 -0.04 0.00 0.22 0.00 0.00 39.33 39.95 1a9x h ASP 2807CO 0.05 0.89 0.47 0.58 -1.72 0.00 0.00 179.24 179.51 1a9x h VAL 2808N 1.28 1.16 -0.01 -1.35 2.07 -1.40 -0.26 116.25 117.75 1a9x h VAL 2808Ca 0.33 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1a9x h VAL 2808Cb -0.01 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 29.91 1a9x h VAL 2808CO -0.06 0.17 -0.01 0.24 0.02 0.00 0.00 177.57 177.93 1a9x h MET 2809N 0.93 0.02 -0.63 1.57 2.86 -1.42 0.11 114.93 118.37 1a9x h MET 2809Ca 0.26 -0.01 0.12 0.00 -2.06 0.00 0.00 59.70 58.01 1a9x h MET 2809Cb -0.07 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 31.50 1a9x h MET 2809CO -0.06 0.53 0.15 0.00 1.06 0.00 0.00 176.91 178.59 1a9x h ARG 2810N -0.50 0.27 -0.47 1.72 3.08 -1.17 1.49 114.38 118.80 1a9x h ARG 2810Ca 0.00 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1a9x h ARG 2810Cb 0.53 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 1a9x h ARG 2810CO 0.00 0.18 0.18 0.37 -1.07 0.00 0.00 179.97 179.63 1a9x h GLN 2811N 0.28 0.70 -0.77 0.04 5.75 -0.93 -1.26 115.11 118.92 1a9x h GLN 2811Ca 0.33 -0.13 -0.05 0.00 -0.15 0.00 0.00 58.65 58.65 1a9x h GLN 2811Cb 0.50 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.91 1a9x h GLN 2811CO -0.42 0.64 0.28 0.37 -2.65 0.00 0.00 178.83 177.06 1a9x h GLN 2812N 0.62 1.17 -0.11 1.69 4.15 0.19 -1.84 115.11 120.97 1a9x h GLN 2812Ca 0.16 -0.22 0.03 0.00 0.77 0.00 0.00 58.65 59.38 1a9x h GLN 2812Cb 0.20 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 1a9x h GLN 2812CO -0.01 0.96 -0.05 0.28 -1.93 0.00 0.00 178.83 178.07 1a9x h VAL 2813N 1.13 0.82 -0.59 2.39 2.07 0.25 -1.93 116.25 120.39 1a9x h VAL 2813Ca 0.25 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.78 1a9x h VAL 2813Cb 0.25 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1a9x h VAL 2813CO -0.02 0.00 0.39 -0.61 0.02 0.00 0.00 177.57 177.35 1a9x h GLN 2814N -0.05 0.79 0.00 1.57 4.15 -1.04 -0.61 115.11 119.92 1a9x h GLN 2814Ca 0.06 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 1a9x h GLN 2814Cb 0.14 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 1a9x h GLN 2814CO -0.14 0.53 -0.21 0.87 -1.93 0.00 0.00 178.83 177.96 1a9x h LYS 2815N 0.80 0.00 0.01 1.69 1.57 -0.97 -2.43 116.57 117.25 1a9x h LYS 2815Ca 0.22 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.82 1a9x h LYS 2815Cb -0.08 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.25 1a9x h LYS 2815CO -0.05 0.21 -0.70 -0.07 -0.57 0.00 0.00 179.45 178.27 1a9x h LEU 2816N 0.00 0.60 -0.28 2.94 3.38 -0.84 -2.27 115.31 118.83 1a9x h LEU 2816Ca -0.00 -0.77 0.04 0.00 0.09 0.00 0.00 57.88 57.23 1a9x h LEU 2816Cb 0.37 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.87 1a9x h LEU 2816CO 0.03 1.29 -0.54 0.00 0.09 0.00 0.00 178.44 179.31 1a9x h ALA 2817N 0.31 -0.83 -0.24 1.53 0.00 -0.88 0.45 119.26 119.60 1a9x h ALA 2817Ca -0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1a9x h ALA 2817Cb 1.41 1.07 -0.01 0.00 0.00 0.00 0.00 17.79 20.26 1a9x h ALA 2817CO 0.14 -1.06 0.06 0.74 0.00 0.00 0.00 179.25 179.13 1a9x h PHE 2818N -0.47 0.40 -0.80 0.00 0.04 -1.56 -0.06 116.94 114.49 1a9x h PHE 2818Ca 0.05 -0.05 0.09 0.00 2.80 0.00 0.00 57.97 60.87 1a9x h PHE 2818Cb 0.62 -0.11 -0.07 0.00 2.20 0.00 0.00 35.95 38.58 1a9x h PHE 2818CO -0.66 0.47 0.44 1.49 -0.60 0.00 0.00 178.31 179.45 1a9x h GLU 2819N 0.21 0.72 -0.00 1.51 4.57 -0.79 -1.43 114.58 119.38 1a9x h GLU 2819Ca 0.08 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1a9x h GLU 2819Cb 0.27 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1a9x h GLU 2819CO 0.00 0.48 -0.22 1.28 -1.18 0.00 0.00 179.01 179.37 1a9x n LEU 2820N -4.77 0.23 -2.46 1.64 4.77 0.15 -4.94 117.00 111.62 1a9x n LEU 2820Ca 0.13 0.27 -0.13 0.00 -0.03 0.00 0.00 56.01 56.25 1a9x n LEU 2820Cb 0.27 -0.38 0.05 0.00 -2.33 0.00 0.00 43.42 41.03 1a9x n LEU 2820CO 0.26 0.06 0.12 0.00 -1.33 0.00 0.00 177.39 176.50 1a9x n GLN 2821N -1.49 -4.60 -1.58 3.23 1.13 -0.14 -4.74 117.38 109.19 1a9x n GLN 2821Ca 0.06 0.52 -0.34 0.00 -1.94 0.00 0.00 57.00 55.30 1a9x n GLN 2821Cb 0.34 -4.60 0.08 0.00 0.11 0.00 0.00 30.24 26.16 1a9x n GLN 2821CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1a9x s VAL 2822N -3.21 2.57 -0.34 5.09 1.01 -0.56 -4.67 120.40 120.29 1a9x s VAL 2822Ca 0.21 0.28 0.03 0.00 0.00 0.00 0.00 61.98 62.51 1a9x s VAL 2822Cb -0.09 -2.86 0.16 0.00 0.00 0.00 0.00 36.38 33.59 1a9x s VAL 2822CO 0.45 -0.14 0.44 -0.13 0.00 0.00 0.00 175.10 175.71 1a9x s ARG 2823N -3.89 0.55 0.00 2.72 1.81 -1.24 -4.15 118.95 114.75 1a9x s ARG 2823Ca 0.73 -0.25 0.00 0.00 -1.72 0.00 0.00 55.73 54.49 1a9x s ARG 2823Cb -0.27 -0.37 0.00 0.00 -0.45 0.00 0.00 34.95 33.86 1a9x s ARG 2823CO 0.43 -1.11 0.00 0.41 -0.68 0.00 0.00 175.30 174.35 1a9x n GLY 2824N 4.85 0.24 3.87 -3.53 0.00 -0.82 -2.08 105.19 107.72 1a9x n GLY 2824Ca 0.06 -2.14 -0.31 0.00 0.00 0.00 0.00 46.02 43.63 1a9x n GLY 2824CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a9x s LEU 2825N 0.00 3.09 0.12 0.99 1.43 -1.26 -2.51 118.68 120.53 1a9x s LEU 2825Ca 0.00 1.33 -0.23 0.00 -1.03 0.00 0.00 54.13 54.20 1a9x s LEU 2825Cb 0.00 -4.27 0.06 0.00 0.03 0.00 0.00 46.19 42.01 1a9x s LEU 2825CO 0.00 -1.11 0.58 0.00 0.23 0.00 0.00 176.35 176.05 1a9x s MET 2826N -5.23 1.20 -0.02 1.70 0.23 -0.27 -2.40 119.30 114.51 1a9x s MET 2826Ca 0.56 -0.38 -0.01 0.00 -1.03 0.00 0.00 55.69 54.84 1a9x s MET 2826Cb -0.11 0.55 0.01 0.00 -1.53 0.00 0.00 34.83 33.75 1a9x s MET 2826CO 0.53 -0.49 0.05 1.21 -2.03 0.00 0.00 175.02 174.29 1a9x s ASN 2827N -2.47 -0.02 -0.06 -1.18 3.84 0.16 -1.76 114.94 113.45 1a9x s ASN 2827Ca -0.01 0.09 0.05 0.00 0.21 0.00 0.00 52.86 53.20 1a9x s ASN 2827Cb -0.01 0.05 -0.01 0.00 -0.55 0.00 0.00 41.25 40.74 1a9x s ASN 2827CO -0.09 -0.06 -0.21 -0.69 -2.79 0.00 0.00 177.10 173.26 1a9x s VAL 2828N 0.42 1.77 -0.14 -5.21 1.01 0.82 0.11 120.40 119.18 1a9x s VAL 2828Ca -0.03 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.04 1a9x s VAL 2828Cb -0.05 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 1a9x s VAL 2828CO -0.01 0.50 -0.13 -1.10 0.00 0.00 0.00 175.10 174.35 1a9x s GLN 2829N -0.02 3.33 0.35 2.72 -0.21 -0.30 -0.39 119.66 125.15 1a9x s GLN 2829Ca -0.05 -0.70 0.05 0.00 0.02 0.00 0.00 55.36 54.67 1a9x s GLN 2829Cb -0.13 -2.66 -0.07 0.00 1.00 0.00 0.00 33.01 31.15 1a9x s GLN 2829CO 0.03 0.12 0.04 -0.06 -2.12 0.00 0.00 175.29 173.31 1a9x s PHE 2830N 0.58 2.14 -0.04 0.91 0.08 -0.75 0.46 117.98 121.37 1a9x s PHE 2830Ca -0.08 -0.87 -0.02 0.00 0.12 0.00 0.00 56.93 56.09 1a9x s PHE 2830Cb -0.16 -1.44 0.03 0.00 -0.57 0.00 0.00 43.02 40.88 1a9x s PHE 2830CO 0.03 0.15 0.08 0.00 -0.10 0.00 0.00 175.22 175.38 1a9x s ALA 2831N -3.11 -0.10 -0.33 5.36 0.00 -0.76 -1.41 121.76 121.40 1a9x s ALA 2831Ca 0.36 0.43 -0.04 0.00 0.00 0.00 0.00 51.96 52.70 1a9x s ALA 2831Cb 0.09 -0.30 0.05 0.00 0.00 0.00 0.00 23.12 22.96 1a9x s ALA 2831CO 0.16 -0.11 0.08 0.08 0.00 0.00 0.00 175.76 175.97 1a9x s VAL 2832N 0.90 3.44 -0.18 0.00 1.01 0.13 0.01 120.40 125.72 1a9x s VAL 2832Ca -0.07 -1.34 0.01 0.00 0.00 0.00 0.00 61.98 60.58 1a9x s VAL 2832Cb -0.10 -3.01 0.03 0.00 0.00 0.00 0.00 36.38 33.30 1a9x s VAL 2832CO -0.04 -0.22 -0.16 -0.75 0.00 0.00 0.00 175.10 173.94 1a9x s LYS 2833N 1.32 2.54 -1.24 2.72 2.20 -0.23 -1.85 119.74 125.20 1a9x s LYS 2833Ca -0.02 -0.82 -0.07 0.00 -0.36 0.00 0.00 55.97 54.70 1a9x s LYS 2833Cb -0.20 -2.46 0.01 0.00 -1.51 0.00 0.00 37.83 33.67 1a9x s LYS 2833CO 0.01 -0.30 1.08 0.09 -0.36 0.00 0.00 175.35 175.86 1a9x n ASN 2834N 4.65 -5.64 -0.17 1.43 5.03 -1.26 -2.19 115.26 117.11 1a9x n ASN 2834Ca -0.18 -0.50 -0.02 0.00 0.87 0.00 0.00 54.58 54.74 1a9x n ASN 2834Cb 0.48 -4.69 -0.01 0.00 -1.02 0.00 0.00 39.78 34.55 1a9x n ASN 2834CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1a9x n ASN 2835N -2.69 -4.30 -4.41 6.41 4.05 -1.26 -5.00 115.26 108.06 1a9x n ASN 2835Ca -0.02 0.06 -0.32 0.00 0.45 0.00 0.00 54.58 54.74 1a9x n ASN 2835Cb 0.57 -2.00 -0.14 0.00 1.23 0.00 0.00 39.78 39.43 1a9x n ASN 2835CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1a9x s GLU 2836N -1.36 2.71 -0.24 1.20 2.02 -0.93 -5.05 118.70 117.05 1a9x s GLU 2836Ca 0.00 -0.74 -0.15 0.00 0.02 0.00 0.00 54.97 54.10 1a9x s GLU 2836Cb 0.00 -2.39 -0.04 0.00 0.10 0.00 0.00 34.13 31.80 1a9x s GLU 2836CO 0.00 0.48 0.37 0.08 0.02 0.00 0.00 175.26 176.21 1a9x s VAL 2837N -0.36 5.19 0.04 2.63 1.01 -1.26 -1.06 120.40 126.59 1a9x s VAL 2837Ca 0.03 0.59 0.03 0.00 0.00 0.00 0.00 61.98 62.63 1a9x s VAL 2837Cb -0.12 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1a9x s VAL 2837CO 0.02 0.20 0.02 -0.31 0.00 0.00 0.00 175.10 175.03 1a9x s TYR 2838N 1.75 3.07 -0.30 5.22 1.51 0.10 -4.45 117.35 124.25 1a9x s TYR 2838Ca 0.16 0.05 -0.18 0.00 -1.01 0.00 0.00 57.07 56.08 1a9x s TYR 2838Cb -0.15 -1.62 -0.02 0.00 -0.11 0.00 0.00 41.96 40.06 1a9x s TYR 2838CO 0.09 0.48 0.54 -1.17 -1.11 0.00 0.00 175.55 174.37 1a9x s LEU 2839N -1.97 4.16 -0.11 -1.29 2.96 0.14 -1.82 118.68 120.75 1a9x s LEU 2839Ca 0.23 0.32 -0.03 0.00 -0.22 0.00 0.00 54.13 54.44 1a9x s LEU 2839Cb -0.12 -2.67 -0.01 0.00 0.50 0.00 0.00 46.19 43.90 1a9x s LEU 2839CO 0.15 -0.39 -0.05 0.40 -1.32 0.00 0.00 176.35 175.14 1a9x h ILE 2840N 5.50 0.00 -2.29 6.68 2.04 -0.30 -3.40 117.51 125.73 1a9x h ILE 2840Ca -0.28 -1.00 0.17 0.00 1.00 0.00 0.00 64.86 64.75 1a9x h ILE 2840Cb 1.13 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.11 1a9x h ILE 2840CO 0.75 0.00 0.50 -1.83 0.00 0.00 0.00 178.15 177.57 1a9x s GLU 2841N -1.75 1.08 -0.05 2.37 -1.05 -0.99 -5.02 118.70 113.30 1a9x s GLU 2841Ca -0.04 -0.56 0.05 0.00 -0.15 0.00 0.00 54.97 54.26 1a9x s GLU 2841Cb 0.01 0.39 -0.01 0.00 -0.44 0.00 0.00 34.13 34.08 1a9x s GLU 2841CO 0.06 -0.49 -0.20 0.08 0.95 0.00 0.00 175.26 175.66 1a9x s VAL 2842N -3.21 1.66 -0.42 1.83 1.01 -1.26 -1.15 120.40 118.86 1a9x s VAL 2842Ca 0.11 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.26 1a9x s VAL 2842Cb -0.01 -1.42 0.12 0.00 0.00 0.00 0.00 36.38 35.07 1a9x s VAL 2842CO -0.01 0.47 0.20 0.20 0.00 0.00 0.00 175.10 175.96 1a9x s ASN 2843N -0.02 3.92 -0.49 3.32 0.01 0.29 -4.70 114.94 117.27 1a9x s ASN 2843Ca -0.04 -2.46 -0.05 0.00 -0.71 0.00 0.00 52.86 49.60 1a9x s ASN 2843Cb -0.12 -1.15 -0.11 0.00 0.41 0.00 0.00 41.25 40.28 1a9x s ASN 2843CO 0.03 -0.30 2.31 -0.81 -1.51 0.00 0.00 177.10 176.82 1a9x n PRO 2844N 3.78 1.73 -3.88 -0.60 -0.04 -1.26 0.36 135.00 135.09 1a9x n PRO 2844Ca 0.06 -1.06 -0.03 0.00 -0.04 0.00 0.00 63.50 62.42 1a9x n PRO 2844Cb 0.36 -2.14 0.02 0.00 -0.04 0.00 0.00 33.50 31.70 1a9x n PRO 2844CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1a9x s ARG 2845N 2.51 1.34 0.23 0.54 1.70 -1.01 -4.83 118.95 119.44 1a9x s ARG 2845Ca 0.42 -0.86 -0.30 0.00 -0.47 0.00 0.00 55.73 54.52 1a9x s ARG 2845Cb 0.15 0.38 -0.09 0.00 -0.57 0.00 0.00 34.95 34.82 1a9x s ARG 2845CO -0.02 -0.63 1.22 0.00 -1.08 0.00 0.00 175.30 174.79 1a9x s ALA 2846N -2.20 3.46 0.34 7.88 0.00 -1.04 -3.41 121.76 126.80 1a9x s ALA 2846Ca 0.21 1.03 0.07 0.00 0.00 0.00 0.00 51.96 53.27 1a9x s ALA 2846Cb -0.03 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.66 1a9x s ALA 2846CO 0.05 -0.41 0.42 0.00 0.00 0.00 0.00 175.76 175.83 1a9x s ALA 2847N -0.45 4.14 -1.15 0.00 0.00 -1.26 -4.88 121.76 118.17 1a9x s ALA 2847Ca 0.51 -1.53 0.11 0.00 0.00 0.00 0.00 51.96 51.05 1a9x s ALA 2847Cb -0.35 -1.52 0.50 0.00 0.00 0.00 0.00 23.12 21.75 1a9x s ALA 2847CO 0.41 -0.03 1.32 2.89 0.00 0.00 0.00 175.76 180.34 1a9x n ARG 2848N -1.57 0.06 0.00 0.00 1.85 -1.26 -2.26 116.66 113.47 1a9x n ARG 2848Ca -0.00 0.27 0.13 0.00 -1.00 0.00 0.00 57.85 57.24 1a9x n ARG 2848Cb 0.59 -1.50 0.39 0.00 -1.05 0.00 0.00 32.46 30.89 1a9x n ARG 2848CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1a9x n THR 2849N -1.43 0.00 -0.12 8.89 -2.24 -1.26 -4.37 114.28 113.75 1a9x n THR 2849Ca 0.04 -0.06 -0.07 0.00 -2.27 0.00 0.00 64.05 61.68 1a9x n THR 2849Cb 0.11 0.19 0.01 0.00 -2.10 0.00 0.00 70.33 68.54 1a9x n THR 2849CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1a9x h VAL 2850N 0.58 1.04 -0.61 2.28 2.07 -1.83 -0.37 116.25 119.41 1a9x h VAL 2850Ca 0.00 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1a9x h VAL 2850Cb 0.48 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1a9x h VAL 2850CO 0.00 0.09 0.35 -0.65 0.02 0.00 0.00 177.57 177.38 1a9x h PRO 2851N 0.48 0.84 0.43 1.57 0.11 -1.83 -0.44 132.00 133.16 1a9x h PRO 2851Ca 0.16 -0.09 -0.02 0.00 0.11 0.00 0.00 66.00 66.16 1a9x h PRO 2851Cb 0.01 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 30.95 1a9x h PRO 2851CO -0.07 0.62 -0.21 0.35 -0.21 0.00 0.00 178.00 178.48 1a9x h PHE 2852N 0.83 -0.54 -0.96 0.65 3.57 -1.75 -2.33 116.94 116.41 1a9x h PHE 2852Ca 0.22 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.81 1a9x h PHE 2852Cb 0.01 0.18 -0.07 0.00 2.79 0.00 0.00 35.95 38.85 1a9x h PHE 2852CO -0.01 -0.33 0.62 0.28 -2.23 0.00 0.00 178.31 176.63 1a9x h VAL 2853N -0.58 0.97 -0.43 1.41 2.07 -0.90 -1.61 116.25 117.18 1a9x h VAL 2853Ca -0.06 -0.34 -0.09 0.00 0.82 0.00 0.00 66.70 67.03 1a9x h VAL 2853Cb 0.44 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1a9x h VAL 2853CO 0.10 0.18 -0.11 0.28 0.02 0.00 0.00 177.57 178.04 1a9x h SER 2854N 0.99 0.77 -0.22 0.57 0.02 -0.80 -0.86 113.55 114.02 1a9x h SER 2854Ca 0.45 -0.23 -0.06 0.00 -0.84 0.00 0.00 61.79 61.12 1a9x h SER 2854Cb 0.41 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 1a9x h SER 2854CO -0.21 0.90 -0.10 0.50 -1.14 0.00 0.00 176.83 176.78 1a9x h LYS 2855N 0.70 0.46 -0.23 3.45 1.63 -0.95 0.30 116.57 121.94 1a9x h LYS 2855Ca 0.12 -0.20 -0.02 0.00 -0.85 0.00 0.00 60.65 59.71 1a9x h LYS 2855Cb 0.59 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.19 1a9x h LYS 2855CO 0.04 0.73 0.08 0.00 -3.45 0.00 0.00 179.45 176.85 1a9x h ALA 2856N 0.72 0.30 0.00 5.00 0.00 -1.15 -3.24 119.26 120.88 1a9x h ALA 2856Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1a9x h ALA 2856Cb 0.59 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1a9x h ALA 2856CO 0.03 -0.09 -0.51 0.25 0.00 0.00 0.00 179.25 178.93 1a9x n THR 2857N -4.78 0.37 -0.71 0.00 -2.24 -0.34 -4.85 114.28 101.72 1a9x n THR 2857Ca -0.03 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1a9x n THR 2857Cb 0.14 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 1a9x n THR 2857CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a9x n GLY 2858N 1.34 1.48 3.56 3.38 0.00 0.11 -4.99 105.19 110.07 1a9x n GLY 2858Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1a9x n GLY 2858CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a9x s VAL 2859N -3.67 5.26 -1.17 1.61 1.01 -1.17 -4.99 120.40 117.28 1a9x s VAL 2859Ca 0.00 0.03 -0.21 0.00 0.00 0.00 0.00 61.98 61.80 1a9x s VAL 2859Cb 0.00 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 1a9x s VAL 2859CO 0.00 0.07 1.90 -0.81 0.00 0.00 0.00 175.10 176.26 1a9x n PRO 2860N 5.17 2.05 -0.30 2.72 -0.04 -1.26 -4.29 135.00 139.05 1a9x n PRO 2860Ca -0.12 -2.58 0.12 0.00 -0.04 0.00 0.00 63.50 60.88 1a9x n PRO 2860Cb 0.50 -3.52 0.27 0.00 -0.04 0.00 0.00 33.50 30.71 1a9x n PRO 2860CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1a9x h LEU 2861N 15.42 -0.12 -0.93 1.53 3.38 -1.92 -0.82 115.31 131.85 1a9x h LEU 2861Ca 0.33 0.21 -0.04 0.00 0.09 0.00 0.00 57.88 58.47 1a9x h LEU 2861Cb 0.86 0.31 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 1a9x h LEU 2861CO 1.44 -0.19 0.31 0.00 0.09 0.00 0.00 178.44 180.09 1a9x h ALA 2862N 1.79 1.15 0.29 1.53 0.00 -1.92 0.55 119.26 122.65 1a9x h ALA 2862Ca 0.53 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1a9x h ALA 2862Cb 1.06 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1a9x h ALA 2862CO -0.69 0.62 -0.14 0.87 0.00 0.00 0.00 179.25 179.91 1a9x h LYS 2863N 1.07 -0.37 0.29 0.00 1.57 -1.43 0.95 116.57 118.64 1a9x h LYS 2863Ca 0.25 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1a9x h LYS 2863Cb 0.18 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1a9x h LYS 2863CO -0.02 -0.13 -0.27 0.28 -0.57 0.00 0.00 179.45 178.74 1a9x h VAL 2864N -0.57 0.43 -0.12 0.50 2.07 -1.05 0.04 116.25 117.56 1a9x h VAL 2864Ca -0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1a9x h VAL 2864Cb 0.41 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1a9x h VAL 2864CO 0.06 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.66 1a9x h ALA 2865N 0.03 1.79 -0.38 1.67 0.00 0.12 -0.58 119.26 121.92 1a9x h ALA 2865Ca -0.01 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1a9x h ALA 2865Cb 0.53 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1a9x h ALA 2865CO -0.04 0.16 0.02 0.00 0.00 0.00 0.00 179.25 179.39 1a9x h ALA 2866N 1.85 0.50 -0.27 0.00 0.00 -0.22 0.56 119.26 121.68 1a9x h ALA 2866Ca 0.04 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1a9x h ALA 2866Cb 0.11 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1a9x h ALA 2866CO 0.00 0.26 -0.15 0.00 0.00 0.00 0.00 179.25 179.35 1a9x h ARG 2867N 0.48 0.47 -0.51 0.00 3.08 -0.13 -1.58 114.38 116.19 1a9x h ARG 2867Ca 0.11 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 1a9x h ARG 2867Cb 0.43 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 1a9x h ARG 2867CO 0.02 0.61 0.13 0.28 -1.07 0.00 0.00 179.97 179.94 1a9x h VAL 2868N 0.43 1.24 -0.72 2.04 2.07 -0.72 0.19 116.25 120.78 1a9x h VAL 2868Ca 0.08 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 1a9x h VAL 2868Cb 0.52 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1a9x h VAL 2868CO 0.03 0.30 0.43 0.24 0.02 0.00 0.00 177.57 178.59 1a9x h MET 2869N 0.70 0.97 0.00 1.57 2.86 0.03 -1.06 114.93 119.99 1a9x h MET 2869Ca 0.16 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1a9x h MET 2869Cb 0.32 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1a9x h MET 2869CO -0.00 0.70 0.00 0.00 1.06 0.00 0.00 176.91 178.67 1a9x n ALA 2870N -2.33 2.18 0.00 6.32 0.00 -0.72 -4.09 120.51 121.88 1a9x n ALA 2870Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1a9x n ALA 2870Cb 0.06 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1a9x n ALA 2870CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a9x n GLY 2871N 0.17 0.99 3.38 0.00 0.00 -0.40 -5.06 105.19 104.27 1a9x n GLY 2871Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1a9x n GLY 2871CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1a9x s LYS 2872N -0.88 3.21 0.87 1.61 2.20 0.63 -4.99 119.74 122.39 1a9x s LYS 2872Ca 0.00 -0.79 -0.10 0.00 -0.36 0.00 0.00 55.97 54.72 1a9x s LYS 2872Cb 0.00 -3.43 0.12 0.00 -1.51 0.00 0.00 37.83 33.01 1a9x s LYS 2872CO 0.00 -0.42 1.12 -1.54 -0.36 0.00 0.00 175.35 174.16 1a9x s SER 2873N 1.54 3.45 0.22 1.43 1.04 -1.26 -3.19 113.70 116.93 1a9x s SER 2873Ca 0.04 2.03 -0.08 0.00 0.48 0.00 0.00 55.95 58.42 1a9x s SER 2873Cb -0.17 -2.54 0.30 0.00 0.10 0.00 0.00 66.02 63.71 1a9x s SER 2873CO 0.04 -2.74 1.80 -0.07 0.98 0.00 0.00 173.24 173.25 1a9x h LEU 2874N -1.62 0.57 -0.08 2.42 3.38 -1.94 0.41 115.31 118.46 1a9x h LEU 2874Ca -0.44 0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.60 1a9x h LEU 2874Cb 1.26 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 1a9x h LEU 2874CO 0.45 0.35 -0.10 0.00 0.09 0.00 0.00 178.44 179.24 1a9x h ALA 2875N 1.39 -0.04 0.00 1.53 0.00 -1.91 0.18 119.26 120.41 1a9x h ALA 2875Ca 0.33 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 1a9x h ALA 2875Cb 0.26 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1a9x h ALA 2875CO -0.21 -0.56 -0.02 0.93 0.00 0.00 0.00 179.25 179.39 1a9x h GLU 2876N -0.13 0.00 0.00 0.00 5.08 -1.57 -0.85 114.58 117.11 1a9x h GLU 2876Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1a9x h GLU 2876Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1a9x h GLU 2876CO -0.16 0.02 -0.56 1.04 -1.00 0.00 0.00 179.01 178.35 1a9x n GLN 2877N -4.37 0.23 -2.01 2.33 6.02 0.13 -4.93 117.38 114.79 1a9x n GLN 2877Ca -0.03 0.07 -0.07 0.00 -0.01 0.00 0.00 57.00 56.96 1a9x n GLN 2877Cb 0.10 -1.65 -0.01 0.00 1.02 0.00 0.00 30.24 29.71 1a9x n GLN 2877CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1a9x n GLY 2878N 1.37 0.20 2.73 1.08 0.00 0.52 -4.98 105.19 106.11 1a9x n GLY 2878Ca 0.04 -0.62 -0.28 0.00 0.00 0.00 0.00 46.02 45.17 1a9x n GLY 2878CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1a9x n VAL 2879N -3.84 0.74 0.15 1.61 0.31 -0.60 -4.90 118.33 111.79 1a9x n VAL 2879Ca -0.08 -4.42 0.02 0.00 -0.01 0.00 0.00 64.34 59.85 1a9x n VAL 2879Cb 0.52 -2.02 -0.02 0.00 -0.91 0.00 0.00 33.84 31.41 1a9x n VAL 2879CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1a9x n THR 2880N 2.21 0.00 -5.07 2.52 -2.24 -1.26 -4.64 114.28 105.80 1a9x n THR 2880Ca 0.23 -0.39 -0.32 0.00 -2.27 0.00 0.00 64.05 61.30 1a9x n THR 2880Cb 0.39 0.96 -0.16 0.00 -2.10 0.00 0.00 70.33 69.42 1a9x n THR 2880CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1a9x s LYS 2881N -1.39 2.94 0.27 -0.78 -0.14 -1.26 -4.89 119.74 114.49 1a9x s LYS 2881Ca 0.01 -0.81 -0.30 0.00 -1.36 0.00 0.00 55.97 53.51 1a9x s LYS 2881Cb 0.03 -2.36 -0.13 0.00 -1.68 0.00 0.00 37.83 33.68 1a9x s LYS 2881CO 0.14 0.30 1.43 -1.91 -0.76 0.00 0.00 175.35 174.55 1a9x n GLU 2882N 3.22 2.21 -3.84 1.68 2.13 -1.26 -4.95 120.64 119.82 1a9x n GLU 2882Ca -0.18 0.78 -0.35 0.00 0.66 0.00 0.00 57.16 58.07 1a9x n GLU 2882Cb 0.53 -2.46 -0.09 0.00 0.27 0.00 0.00 31.44 29.69 1a9x n GLU 2882CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1a9x s VAL 2883N -0.25 5.17 -0.27 6.31 1.01 -1.26 -5.05 120.40 126.06 1a9x s VAL 2883Ca 0.65 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.74 1a9x s VAL 2883Cb -0.60 -3.34 0.05 0.00 0.00 0.00 0.00 36.38 32.49 1a9x s VAL 2883CO 0.52 0.45 -0.07 -0.63 0.00 0.00 0.00 175.10 175.37 1a9x s ILE 2884N 0.31 2.47 0.59 2.22 -1.09 -1.26 -4.93 121.20 119.51 1a9x s ILE 2884Ca 0.06 -1.50 -0.17 0.00 -2.23 0.00 0.00 60.65 56.81 1a9x s ILE 2884Cb -0.12 -2.42 -0.04 0.00 -1.58 0.00 0.00 42.46 38.31 1a9x s ILE 2884CO -0.01 -0.03 1.08 -2.16 -1.23 0.00 0.00 174.94 172.60 1a9x s PRO 2885N 1.17 3.24 0.00 2.79 0.05 -1.26 -4.85 135.00 136.13 1a9x s PRO 2885Ca -0.07 1.36 0.29 0.00 0.05 0.00 0.00 61.00 62.63 1a9x s PRO 2885Cb -0.20 -2.01 1.27 0.00 0.05 0.00 0.00 34.50 33.61 1a9x s PRO 2885CO -0.04 -0.90 1.93 -0.35 0.05 0.00 0.00 177.00 177.70 1a9x n PRO 2886N -1.86 0.10 -4.55 0.56 -0.04 -1.26 -4.85 135.00 123.09 1a9x n PRO 2886Ca 0.10 -0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.30 1a9x n PRO 2886Cb 0.52 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 1a9x n PRO 2886CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1a9x s TYR 2887N -2.91 2.13 -0.15 0.54 -0.85 -1.26 -5.00 117.35 109.86 1a9x s TYR 2887Ca 0.17 -0.89 -0.09 0.00 -0.52 0.00 0.00 57.07 55.74 1a9x s TYR 2887Cb 0.19 -1.48 -0.05 0.00 0.38 0.00 0.00 41.96 41.00 1a9x s TYR 2887CO 0.52 0.16 0.17 0.71 -1.52 0.00 0.00 175.55 175.59 1a9x s TYR 2888N -3.03 3.52 -0.11 -3.49 2.02 -0.44 -4.45 117.35 111.37 1a9x s TYR 2888Ca 0.31 0.49 0.03 0.00 -0.37 0.00 0.00 57.07 57.54 1a9x s TYR 2888Cb 0.08 -2.09 0.01 0.00 -0.40 0.00 0.00 41.96 39.56 1a9x s TYR 2888CO 0.15 0.51 -0.21 -1.12 -1.57 0.00 0.00 175.55 173.31 1a9x s SER 2889N -0.36 2.89 -0.02 2.29 0.01 0.19 -1.91 113.70 116.78 1a9x s SER 2889Ca 0.13 -0.53 0.07 0.00 1.31 0.00 0.00 55.95 56.94 1a9x s SER 2889Cb -0.12 -1.32 -0.02 0.00 0.21 0.00 0.00 66.02 64.77 1a9x s SER 2889CO 0.02 0.11 -0.25 -0.69 0.41 0.00 0.00 173.24 172.85 1a9x s VAL 2890N 0.54 1.97 -0.12 3.43 1.01 0.12 0.13 120.40 127.48 1a9x s VAL 2890Ca -0.15 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 60.75 1a9x s VAL 2890Cb -0.17 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 1a9x s VAL 2890CO 0.05 0.56 -0.04 -0.75 0.00 0.00 0.00 175.10 174.91 1a9x s LYS 2891N -0.52 3.35 0.12 2.72 2.20 0.28 -0.71 119.74 127.18 1a9x s LYS 2891Ca 0.08 -0.52 0.08 0.00 -0.36 0.00 0.00 55.97 55.25 1a9x s LYS 2891Cb -0.10 -2.81 -0.04 0.00 -1.51 0.00 0.00 37.83 33.37 1a9x s LYS 2891CO -0.00 0.41 -0.18 -2.00 -0.36 0.00 0.00 175.35 173.21 1a9x s GLU 2892N -0.09 1.12 0.35 4.03 2.56 -0.77 0.95 118.70 126.84 1a9x s GLU 2892Ca 0.02 -1.23 0.08 0.00 0.00 0.00 0.00 54.97 53.83 1a9x s GLU 2892Cb -0.13 -1.22 -0.03 0.00 2.00 0.00 0.00 34.13 34.75 1a9x s GLU 2892CO 0.03 0.26 0.27 0.14 -0.56 0.00 0.00 175.26 175.39 1a9x s VAL 2893N -1.63 3.31 -0.08 3.70 -7.23 -1.26 -0.96 120.40 116.24 1a9x s VAL 2893Ca 0.09 -1.45 0.03 0.00 -1.81 0.00 0.00 61.98 58.84 1a9x s VAL 2893Cb -0.08 -3.12 0.01 0.00 0.56 0.00 0.00 36.38 33.75 1a9x s VAL 2893CO 0.05 -0.16 -0.17 0.68 -0.31 0.00 0.00 175.10 175.19 1a9x s VAL 2894N -2.35 1.54 0.07 1.32 -7.23 -0.90 -4.91 120.40 107.94 1a9x s VAL 2894Ca 0.41 -0.72 0.03 0.00 -1.81 0.00 0.00 61.98 59.89 1a9x s VAL 2894Cb -0.05 -1.36 -0.04 0.00 0.56 0.00 0.00 36.38 35.49 1a9x s VAL 2894CO 0.26 0.44 0.07 -0.76 -0.31 0.00 0.00 175.10 174.80 1a9x s LEU 2895N 0.52 3.75 0.00 1.32 1.43 -1.26 -1.79 118.68 122.65 1a9x s LEU 2895Ca -0.16 -0.02 0.12 0.00 -1.03 0.00 0.00 54.13 53.04 1a9x s LEU 2895Cb -0.17 -2.42 0.37 0.00 0.03 0.00 0.00 46.19 44.00 1a9x s LEU 2895CO 0.06 0.18 1.30 -0.81 0.23 0.00 0.00 176.35 177.31 1a9x n PRO 2896N 0.54 1.88 -0.32 1.29 -0.04 -1.26 -4.53 135.00 132.56 1a9x n PRO 2896Ca -0.09 -1.36 0.31 0.00 -0.04 0.00 0.00 63.50 62.32 1a9x n PRO 2896Cb 0.52 -1.30 0.67 0.00 -0.04 0.00 0.00 33.50 33.35 1a9x n PRO 2896CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1a9x h PHE 2897N 2.25 0.22 0.00 0.54 0.04 -1.92 0.24 116.94 118.31 1a9x h PHE 2897Ca 0.00 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 1a9x h PHE 2897Cb 0.51 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.60 1a9x h PHE 2897CO 0.25 0.01 -0.01 -2.95 -0.60 0.00 0.00 178.31 175.01 1a9x h ASN 2898N 0.12 0.00 1.68 2.17 -1.07 -1.98 -2.73 115.58 113.77 1a9x h ASN 2898Ca 0.58 0.00 -0.04 0.00 0.07 0.00 0.00 56.30 56.91 1a9x h ASN 2898Cb 2.04 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 38.28 1a9x h ASN 2898CO -0.11 0.01 -0.33 0.11 0.07 0.00 0.00 177.43 177.18 1a9x h LYS 2899N 0.00 0.00 -2.46 4.14 1.79 -1.31 -3.40 116.57 115.33 1a9x h LYS 2899Ca -0.00 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.88 1a9x h LYS 2899Cb 0.18 0.00 -0.39 0.00 -1.58 0.00 0.00 32.23 30.44 1a9x h LYS 2899CO 0.00 0.15 -0.91 1.19 -1.08 0.00 0.00 179.45 178.80 1a9x n PHE 2900N -3.07 -0.13 -0.06 -1.35 3.72 -1.03 -5.00 117.46 110.53 1a9x n PHE 2900Ca 0.02 -3.50 0.13 0.00 -0.05 0.00 0.00 57.45 54.05 1a9x n PHE 2900Cb 0.60 0.07 0.53 0.00 -0.94 0.00 0.00 39.48 39.74 1a9x n PHE 2900CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1a9x h PRO 2901N 5.47 0.34 0.00 -1.08 0.11 -1.77 -1.29 132.00 133.78 1a9x h PRO 2901Ca 0.24 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1a9x h PRO 2901Cb 0.88 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1a9x h PRO 2901CO 0.44 0.22 0.00 0.41 -0.21 0.00 0.00 178.00 178.87 1a9x n GLY 2902N -1.53 -0.40 3.80 -0.55 0.00 -1.26 -4.64 105.19 100.61 1a9x n GLY 2902Ca 0.09 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1a9x n GLY 2902CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a9x s VAL 2903N -2.00 4.86 -0.25 1.61 1.01 -0.49 -4.43 120.40 120.71 1a9x s VAL 2903Ca 0.17 -0.34 -0.29 0.00 0.00 0.00 0.00 61.98 61.53 1a9x s VAL 2903Cb 0.08 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1a9x s VAL 2903CO 0.13 0.37 1.16 -0.62 0.00 0.00 0.00 175.10 176.14 1a9x s ASP 2904N -1.71 6.93 -1.37 3.32 2.15 -1.26 -4.91 116.67 119.81 1a9x s ASP 2904Ca 0.23 1.34 -0.10 0.00 0.43 0.00 0.00 52.55 54.44 1a9x s ASP 2904Cb -0.12 -2.54 0.10 0.00 -0.30 0.00 0.00 42.92 40.06 1a9x s ASP 2904CO 0.14 -0.83 2.16 -0.81 -0.17 0.00 0.00 175.17 175.66 1a9x n PRO 2905N 6.75 3.57 -5.22 4.34 -0.04 -1.26 -4.89 135.00 138.25 1a9x n PRO 2905Ca 0.13 -3.13 -0.30 0.00 -0.04 0.00 0.00 63.50 60.16 1a9x n PRO 2905Cb 0.46 -2.97 -0.16 0.00 -0.04 0.00 0.00 33.50 30.80 1a9x n PRO 2905CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1a9x s LEU 2906N 0.22 2.06 0.39 1.53 2.96 -1.26 -4.96 118.68 119.61 1a9x s LEU 2906Ca 0.47 -0.47 -0.19 0.00 -0.22 0.00 0.00 54.13 53.72 1a9x s LEU 2906Cb 0.13 -1.29 -0.10 0.00 0.50 0.00 0.00 46.19 45.43 1a9x s LEU 2906CO -0.04 0.30 0.87 -0.76 -1.32 0.00 0.00 176.35 175.40 1a9x s LEU 2907N -0.67 4.00 0.00 -0.68 1.43 -1.26 -5.06 118.68 116.45 1a9x s LEU 2907Ca 0.10 1.55 0.00 0.00 -1.03 0.00 0.00 54.13 54.75 1a9x s LEU 2907Cb -0.10 -4.35 0.00 0.00 0.03 0.00 0.00 46.19 41.78 1a9x s LEU 2907CO -0.01 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 176.89 1a9x n GLY 2908N -0.48 1.77 0.00 -3.19 0.00 -1.26 -4.94 105.19 97.09 1a9x n GLY 2908Ca 0.05 -0.98 0.09 0.00 0.00 0.00 0.00 46.02 45.18 1a9x n GLY 2908CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a9x n PRO 2909N 0.00 0.24 -4.00 1.61 -0.04 -0.81 -0.48 135.00 131.53 1a9x n PRO 2909Ca 0.00 0.12 -0.35 0.00 -0.04 0.00 0.00 63.50 63.23 1a9x n PRO 2909Cb 0.00 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 1a9x n PRO 2909CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1a9x s GLU 2910N -2.59 3.70 0.06 0.54 2.12 -1.26 -4.39 118.70 116.88 1a9x s GLU 2910Ca 0.17 -0.29 -0.30 0.00 0.36 0.00 0.00 54.97 54.91 1a9x s GLU 2910Cb 0.12 -3.16 -0.05 0.00 0.26 0.00 0.00 34.13 31.30 1a9x s GLU 2910CO 0.27 0.48 1.09 1.41 -0.54 0.00 0.00 175.26 177.97 1a9x s MET 2911N -0.20 4.52 0.00 4.30 -2.45 -1.26 -4.71 119.30 119.50 1a9x s MET 2911Ca 0.08 1.62 0.00 0.00 -1.25 0.00 0.00 55.69 56.14 1a9x s MET 2911Cb -0.12 -3.38 0.00 0.00 1.25 0.00 0.00 34.83 32.58 1a9x s MET 2911CO 0.01 -0.10 0.15 0.54 1.05 0.00 0.00 175.02 176.67 1a9x n ARG 2912N 3.59 1.17 -1.91 4.11 3.00 -1.26 -4.89 116.66 120.47 1a9x n ARG 2912Ca 0.06 -0.15 -0.32 0.00 -0.01 0.00 0.00 57.85 57.43 1a9x n ARG 2912Cb 0.48 -0.55 0.02 0.00 0.00 0.00 0.00 32.46 32.41 1a9x n ARG 2912CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1a9x s SER 2913N -0.21 5.72 -0.09 0.55 1.04 -1.26 -4.29 113.70 115.15 1a9x s SER 2913Ca 0.00 1.73 0.14 0.00 0.48 0.00 0.00 55.95 58.30 1a9x s SER 2913Cb 0.00 -2.52 -0.21 0.00 0.10 0.00 0.00 66.02 63.39 1a9x s SER 2913CO 0.00 -1.21 0.19 0.35 0.98 0.00 0.00 173.24 173.55 1a9x n THR 2914N -2.37 0.54 -3.73 2.02 -2.24 -0.74 -4.41 114.28 103.36 1a9x n THR 2914Ca 0.08 -0.50 -0.06 0.00 -2.27 0.00 0.00 64.05 61.30 1a9x n THR 2914Cb 0.53 -0.26 -0.01 0.00 -2.10 0.00 0.00 70.33 68.49 1a9x n THR 2914CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a9x n GLY 2915N 1.86 2.61 3.33 3.38 0.00 -0.96 -4.60 105.19 110.82 1a9x n GLY 2915Ca -0.14 -1.44 -0.10 0.00 0.00 0.00 0.00 46.02 44.33 1a9x n GLY 2915CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1a9x s GLU 2916N -2.30 1.09 0.20 1.61 -1.05 -1.26 -2.12 118.70 114.87 1a9x s GLU 2916Ca 0.12 -0.70 0.04 0.00 -0.15 0.00 0.00 54.97 54.27 1a9x s GLU 2916Cb -0.01 0.48 -0.05 0.00 -0.44 0.00 0.00 34.13 34.11 1a9x s GLU 2916CO 0.08 -0.43 -0.06 0.14 0.95 0.00 0.00 175.26 175.94 1a9x s VAL 2917N -3.81 1.18 0.04 1.83 -7.23 -0.14 -4.38 120.40 107.89 1a9x s VAL 2917Ca 0.03 -2.06 0.07 0.00 -1.81 0.00 0.00 61.98 58.21 1a9x s VAL 2917Cb 0.02 -2.12 -0.02 0.00 0.56 0.00 0.00 36.38 34.81 1a9x s VAL 2917CO -0.12 -0.52 -0.21 -0.32 -0.31 0.00 0.00 175.10 173.63 1a9x s MET 2918N -3.79 1.40 -0.07 4.82 1.75 -0.68 -1.85 119.30 120.88 1a9x s MET 2918Ca 0.23 -0.93 0.03 0.00 -1.25 0.00 0.00 55.69 53.78 1a9x s MET 2918Cb 0.04 -1.50 0.00 0.00 2.84 0.00 0.00 34.83 36.21 1a9x s MET 2918CO 0.05 0.38 -0.18 0.20 -0.65 0.00 0.00 175.02 174.83 1a9x s GLY 2919N -1.13 1.03 -0.18 2.11 0.00 0.11 -4.47 107.32 104.79 1a9x s GLY 2919Ca 0.07 -0.69 -0.01 0.00 0.00 0.00 0.00 44.72 44.09 1a9x s GLY 2919CO 0.02 -0.16 -0.12 0.14 0.00 0.00 0.00 173.10 172.97 1a9x s VAL 2920N 0.40 2.81 0.08 1.40 1.01 -1.26 0.13 120.40 124.97 1a9x s VAL 2920Ca -0.14 -0.70 -0.09 0.00 0.00 0.00 0.00 61.98 61.05 1a9x s VAL 2920Cb -0.16 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 34.00 1a9x s VAL 2920CO 0.05 0.49 0.19 -0.83 0.00 0.00 0.00 175.10 175.01 1a9x s GLY 2921N 1.11 0.07 0.55 4.51 0.00 -0.80 -4.56 107.32 108.19 1a9x s GLY 2921Ca 0.00 -0.52 0.33 0.00 0.00 0.00 0.00 44.72 44.53 1a9x s GLY 2921CO -0.04 -0.71 2.01 3.21 0.00 0.00 0.00 173.10 177.57 1a9x h ARG 2922N 2.92 0.00 -4.03 2.90 3.08 -1.93 -1.16 114.38 116.17 1a9x h ARG 2922Ca -0.34 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.59 1a9x h ARG 2922Cb 1.20 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 31.08 1a9x h ARG 2922CO 0.54 0.04 -0.62 0.95 -1.07 0.00 0.00 179.97 179.82 1a9x s THR 2923N -3.76 0.17 0.25 2.04 -4.23 -1.26 -4.73 115.64 104.13 1a9x s THR 2923Ca 0.00 -1.37 -0.03 0.00 -1.18 0.00 0.00 61.69 59.11 1a9x s THR 2923Cb 0.10 -1.06 0.25 0.00 1.34 0.00 0.00 72.50 73.12 1a9x s THR 2923CO 0.55 -0.75 1.69 0.15 -0.54 0.00 0.00 174.62 175.71 1a9x h PHE 2924N 3.58 0.36 -0.72 3.99 3.57 -1.93 0.24 116.94 126.03 1a9x h PHE 2924Ca -0.33 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.18 1a9x h PHE 2924Cb 1.17 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.84 1a9x h PHE 2924CO 0.55 -0.07 0.32 0.00 -2.23 0.00 0.00 178.31 176.88 1a9x h ALA 2925N 1.63 0.92 -0.37 2.41 0.00 -1.96 0.16 119.26 122.06 1a9x h ALA 2925Ca 0.44 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 1a9x h ALA 2925Cb 0.77 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1a9x h ALA 2925CO -0.51 0.51 0.04 1.49 0.00 0.00 0.00 179.25 180.78 1a9x h GLU 2926N 1.01 0.62 0.60 0.00 4.81 -1.04 0.05 114.58 120.63 1a9x h GLU 2926Ca 0.24 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1a9x h GLU 2926Cb 0.15 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1a9x h GLU 2926CO -0.03 0.70 -0.46 0.00 -0.73 0.00 0.00 179.01 178.50 1a9x h ALA 2927N 0.90 -1.10 -0.98 2.92 0.00 -0.51 -0.93 119.26 119.55 1a9x h ALA 2927Ca 0.11 -0.20 0.18 0.00 0.00 0.00 0.00 54.91 55.00 1a9x h ALA 2927Cb 0.40 0.62 -0.09 0.00 0.00 0.00 0.00 17.79 18.72 1a9x h ALA 2927CO 0.01 -1.15 0.61 0.35 0.00 0.00 0.00 179.25 179.08 1a9x h PHE 2928N -1.03 0.95 -0.39 0.00 3.57 -0.65 0.22 116.94 119.61 1a9x h PHE 2928Ca -0.07 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.42 1a9x h PHE 2928Cb 0.86 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 1a9x h PHE 2928CO -0.18 0.25 0.10 0.00 -2.23 0.00 0.00 178.31 176.25 1a9x h ALA 2929N 1.62 0.51 -0.47 2.41 0.00 -0.35 0.03 119.26 123.02 1a9x h ALA 2929Ca 0.54 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 1a9x h ALA 2929Cb 0.91 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1a9x h ALA 2929CO -0.31 0.18 0.12 0.87 0.00 0.00 0.00 179.25 180.11 1a9x h LYS 2930N 0.48 0.76 -0.56 0.00 1.57 0.33 -1.83 116.57 117.32 1a9x h LYS 2930Ca 0.12 -0.18 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1a9x h LYS 2930Cb 0.30 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1a9x h LYS 2930CO 0.00 0.74 0.34 0.00 -0.57 0.00 0.00 179.45 179.97 1a9x h ALA 2931N 0.98 0.72 -0.54 3.86 0.00 -0.93 0.93 119.26 124.28 1a9x h ALA 2931Ca 0.15 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1a9x h ALA 2931Cb 0.33 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1a9x h ALA 2931CO 0.00 0.07 0.24 0.37 0.00 0.00 0.00 179.25 179.94 1a9x h GLN 2932N 0.68 0.79 -0.38 0.00 4.15 -0.81 -1.50 115.11 118.05 1a9x h GLN 2932Ca 0.22 -0.13 -0.06 0.00 0.77 0.00 0.00 58.65 59.45 1a9x h GLN 2932Cb 0.00 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 1a9x h GLN 2932CO -0.09 0.67 -0.01 1.25 -1.93 0.00 0.00 178.83 178.72 1a9x h LEU 2933N 0.73 0.67 -1.67 -2.39 5.85 -1.15 -2.50 115.31 114.85 1a9x h LEU 2933Ca 0.18 -0.32 0.10 0.00 0.84 0.00 0.00 57.88 58.68 1a9x h LEU 2933Cb 0.15 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1a9x h LEU 2933CO -0.02 0.83 0.38 1.23 -0.34 0.00 0.00 178.44 180.52 1a9x h GLY 2934N 0.50 0.52 -0.24 3.75 0.00 -0.44 -1.29 103.07 105.87 1a9x h GLY 2934Ca 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1a9x h GLY 2934CO 0.02 0.09 0.00 -1.14 0.00 0.00 0.00 176.54 175.52 1a9x n SER 2935N -4.47 0.32 -1.24 0.19 3.41 -0.60 -4.77 113.62 106.47 1a9x n SER 2935Ca 0.09 -2.00 -0.12 0.00 -0.26 0.00 0.00 58.87 56.58 1a9x n SER 2935Cb 0.37 -0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 64.24 1a9x n SER 2935CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1a9x n ASN 2936N -0.34 -3.99 -4.76 4.04 4.05 -0.48 -4.92 115.26 108.85 1a9x n ASN 2936Ca 0.02 0.08 -0.38 0.00 0.45 0.00 0.00 54.58 54.74 1a9x n ASN 2936Cb 0.06 -3.02 0.00 0.00 1.23 0.00 0.00 39.78 38.05 1a9x n ASN 2936CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 1a9x s SER 2937N -2.58 6.00 -0.23 1.20 0.15 -0.95 -4.92 113.70 112.38 1a9x s SER 2937Ca 0.00 2.48 0.15 0.00 0.70 0.00 0.00 55.95 59.28 1a9x s SER 2937Cb 0.00 -2.62 0.70 0.00 -1.71 0.00 0.00 66.02 62.39 1a9x s SER 2937CO 0.00 -1.04 1.63 0.35 1.20 0.00 0.00 173.24 175.37 1a9x n THR 2938N -0.47 2.61 -1.73 6.45 -2.24 -1.26 -4.86 114.28 112.78 1a9x n THR 2938Ca 0.07 -1.65 -0.42 0.00 -2.27 0.00 0.00 64.05 59.79 1a9x n THR 2938Cb 0.46 -0.28 -0.01 0.00 -2.10 0.00 0.00 70.33 68.41 1a9x n THR 2938CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1a9x n MET 2939N 0.07 2.43 -4.22 -0.78 1.56 -1.26 -4.46 117.12 110.46 1a9x n MET 2939Ca 0.27 0.86 -0.23 0.00 -0.27 0.00 0.00 57.70 58.32 1a9x n MET 2939Cb 1.10 -2.54 -0.07 0.00 2.15 0.00 0.00 33.22 33.87 1a9x n MET 2939CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 1a9x s LYS 2940N -1.63 2.28 0.00 2.12 -0.14 -1.26 -5.03 119.74 116.08 1a9x s LYS 2940Ca 0.57 -1.55 0.25 0.00 -1.36 0.00 0.00 55.97 53.88 1a9x s LYS 2940Cb -0.53 -2.12 0.77 0.00 -1.68 0.00 0.00 37.83 34.28 1a9x s LYS 2940CO 0.60 0.20 1.58 1.63 -0.76 0.00 0.00 175.35 178.60 1a9x n LYS 2941N -1.02 1.87 -0.94 1.68 5.02 -1.26 -4.93 118.16 118.58 1a9x n LYS 2941Ca -0.04 -1.28 0.00 0.00 -2.02 0.00 0.00 58.31 54.97 1a9x n LYS 2941Cb 0.61 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 1a9x n LYS 2941CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 1a9x n HIS 2942N 0.53 -0.15 -0.42 2.13 1.44 -1.26 -4.88 115.22 112.60 1a9x n HIS 2942Ca 0.17 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.88 1a9x n HIS 2942Cb 0.41 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.52 1a9x n HIS 2942CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1a9x n GLY 2943N 0.00 -0.64 3.32 -1.39 0.00 -1.26 -4.78 105.19 100.44 1a9x n GLY 2943Ca 0.00 -1.81 -0.32 0.00 0.00 0.00 0.00 46.02 43.89 1a9x n GLY 2943CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a9x s ARG 2944N 0.00 2.81 0.00 1.61 3.52 -1.26 -1.46 118.95 124.17 1a9x s ARG 2944Ca 0.00 -0.82 -0.01 0.00 -0.13 0.00 0.00 55.73 54.77 1a9x s ARG 2944Cb 0.00 -2.32 -0.04 0.00 -1.56 0.00 0.00 34.95 31.03 1a9x s ARG 2944CO 0.00 0.35 0.10 0.00 -0.81 0.00 0.00 175.30 174.94 1a9x s ALA 2945N -0.05 3.66 -0.14 6.12 0.00 -0.53 -0.77 121.76 130.05 1a9x s ALA 2945Ca -0.05 -0.86 -0.02 0.00 0.00 0.00 0.00 51.96 51.03 1a9x s ALA 2945Cb -0.14 -1.63 -0.02 0.00 0.00 0.00 0.00 23.12 21.32 1a9x s ALA 2945CO 0.05 0.71 -0.09 -1.17 0.00 0.00 0.00 175.76 175.25 1a9x s LEU 2946N -1.83 2.93 -0.12 0.00 2.96 0.26 -1.32 118.68 121.58 1a9x s LEU 2946Ca 0.24 -0.25 0.03 0.00 -0.22 0.00 0.00 54.13 53.94 1a9x s LEU 2946Cb -0.12 -1.68 0.00 0.00 0.50 0.00 0.00 46.19 44.89 1a9x s LEU 2946CO 0.15 0.17 -0.22 -0.76 -1.32 0.00 0.00 176.35 174.37 1a9x s LEU 2947N 0.35 2.16 -0.31 -0.68 1.02 -0.60 -0.09 118.68 120.53 1a9x s LEU 2947Ca -0.08 -0.56 0.03 0.00 0.02 0.00 0.00 54.13 53.54 1a9x s LEU 2947Cb -0.15 -1.44 0.16 0.00 0.02 0.00 0.00 46.19 44.78 1a9x s LEU 2947CO 0.05 0.13 0.44 -0.55 0.02 0.00 0.00 176.35 176.43 1a9x s SER 2948N 0.55 0.16 0.42 2.29 0.15 0.05 -2.74 113.70 114.58 1a9x s SER 2948Ca -0.13 -0.55 0.06 0.00 0.70 0.00 0.00 55.95 56.03 1a9x s SER 2948Cb -0.17 1.18 -0.07 0.00 -1.71 0.00 0.00 66.02 65.26 1a9x s SER 2948CO 0.04 -0.32 0.05 0.68 1.20 0.00 0.00 173.24 174.89 1a9x s VAL 2949N 2.34 1.95 0.43 4.45 -7.23 -1.26 -1.20 120.40 119.88 1a9x s VAL 2949Ca 0.11 -1.94 0.06 0.00 -1.81 0.00 0.00 61.98 58.40 1a9x s VAL 2949Cb -0.12 -2.89 0.01 0.00 0.56 0.00 0.00 36.38 33.94 1a9x s VAL 2949CO -0.24 0.00 0.59 0.00 -0.31 0.00 0.00 175.10 175.15 1a9x s ARG 2950N -3.77 2.86 0.07 4.82 1.70 -1.04 -4.83 118.95 118.75 1a9x s ARG 2950Ca 0.33 -1.05 -0.13 0.00 -0.47 0.00 0.00 55.73 54.41 1a9x s ARG 2950Cb 0.08 -2.71 -0.03 0.00 -0.57 0.00 0.00 34.95 31.72 1a9x s ARG 2950CO 0.17 -0.28 0.84 0.39 -1.08 0.00 0.00 175.30 175.35 1a9x n GLU 2951N -1.91 -0.18 0.31 3.89 -0.58 -1.26 0.60 120.64 121.50 1a9x n GLU 2951Ca 0.06 0.83 0.19 0.00 -0.42 0.00 0.00 57.16 57.82 1a9x n GLU 2951Cb 0.59 -1.23 1.05 0.00 -0.57 0.00 0.00 31.44 31.28 1a9x n GLU 2951CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1a9x h GLY 2952N 0.00 0.00 1.67 0.62 0.00 -2.01 -1.19 103.07 102.16 1a9x h GLY 2952Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.31 1a9x h GLY 2952CO -0.39 0.00 -0.64 -0.55 0.00 0.00 0.00 176.54 174.96 1a9x h ASP 2953N 0.00 0.00 -1.33 0.19 3.32 -0.21 -3.36 116.42 115.03 1a9x h ASP 2953Ca 0.01 0.00 0.39 0.00 0.02 0.00 0.00 57.03 57.44 1a9x h ASP 2953Cb 0.08 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.57 1a9x h ASP 2953CO -0.00 0.35 0.95 0.11 -1.72 0.00 0.00 179.24 178.93 1a9x h LYS 2954N 0.00 0.01 0.26 3.56 1.57 -0.66 0.22 116.57 121.54 1a9x h LYS 2954Ca -0.03 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1a9x h LYS 2954Cb 1.30 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1a9x h LYS 2954CO 0.04 0.01 -0.13 0.93 -0.57 0.00 0.00 179.45 179.73 1a9x h GLU 2955N 0.01 -0.34 0.00 3.15 5.08 -1.74 -3.34 114.58 117.40 1a9x h GLU 2955Ca 0.64 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 59.02 1a9x h GLU 2955Cb 2.53 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 31.85 1a9x h GLU 2955CO -0.02 -0.10 -0.02 0.00 -1.00 0.00 0.00 179.01 177.86 1a9x h ARG 2956N -1.04 0.00 0.00 2.33 3.08 -1.44 -3.26 114.38 114.05 1a9x h ARG 2956Ca -0.04 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 1a9x h ARG 2956Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1a9x h ARG 2956CO 0.06 0.02 -0.20 -0.24 -1.07 0.00 0.00 179.97 178.54 1a9x h VAL 2957N 0.00 0.88 -0.36 2.04 3.04 -0.74 -3.09 116.25 118.03 1a9x h VAL 2957Ca -0.00 -0.76 0.02 0.00 -1.01 0.00 0.00 66.70 64.94 1a9x h VAL 2957Cb 0.63 1.45 -0.02 0.00 -2.01 0.00 0.00 31.29 31.33 1a9x h VAL 2957CO 0.00 0.20 0.20 0.58 -1.01 0.00 0.00 177.57 177.54 1a9x h VAL 2958N 0.00 1.03 -0.70 1.51 2.07 -1.73 0.39 116.25 118.82 1a9x h VAL 2958Ca -0.00 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.42 1a9x h VAL 2958Cb 0.43 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 1a9x h VAL 2958CO 0.03 0.08 0.41 -0.78 0.02 0.00 0.00 177.57 177.32 1a9x h ASP 2959N 0.42 0.64 -0.15 0.57 3.58 -1.78 0.26 116.42 119.95 1a9x h ASP 2959Ca 0.14 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.60 1a9x h ASP 2959Cb 0.01 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 40.94 1a9x h ASP 2959CO -0.07 0.42 0.05 0.25 -2.88 0.00 0.00 179.24 177.01 1a9x h LEU 2960N 0.77 0.21 -0.98 2.28 5.85 -1.38 0.55 115.31 122.61 1a9x h LEU 2960Ca 0.30 -0.19 0.12 0.00 0.84 0.00 0.00 57.88 58.95 1a9x h LEU 2960Cb 0.13 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.02 1a9x h LEU 2960CO -0.15 0.35 0.61 0.00 -0.34 0.00 0.00 178.44 178.90 1a9x h ALA 2961N 0.87 1.48 -0.35 1.25 0.00 0.54 -0.34 119.26 122.73 1a9x h ALA 2961Ca 0.05 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1a9x h ALA 2961Cb 0.21 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1a9x h ALA 2961CO -0.00 0.20 0.08 0.00 0.00 0.00 0.00 179.25 179.52 1a9x h ALA 2962N 1.54 0.46 -0.87 0.00 0.00 0.13 -0.43 119.26 120.08 1a9x h ALA 2962Ca 0.49 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.32 1a9x h ALA 2962Cb 0.50 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 1a9x h ALA 2962CO -0.27 0.14 0.51 0.87 0.00 0.00 0.00 179.25 180.50 1a9x h LYS 2963N 0.41 0.82 -0.11 0.00 1.57 0.07 0.24 116.57 119.57 1a9x h LYS 2963Ca 0.11 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.69 1a9x h LYS 2963Cb 0.32 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1a9x h LYS 2963CO 0.00 0.54 -0.56 -0.07 -0.57 0.00 0.00 179.45 178.80 1a9x h LEU 2964N 0.85 0.36 -0.23 2.94 3.38 -0.78 -1.77 115.31 120.06 1a9x h LEU 2964Ca 0.42 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 1a9x h LEU 2964Cb 0.39 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1a9x h LEU 2964CO -0.25 0.85 0.01 -0.07 0.09 0.00 0.00 178.44 179.06 1a9x h LEU 2965N 0.25 0.39 -0.84 1.67 3.38 0.36 0.84 115.31 121.36 1a9x h LEU 2965Ca 0.00 -0.30 0.13 0.00 0.09 0.00 0.00 57.88 57.80 1a9x h LEU 2965Cb 1.06 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.62 1a9x h LEU 2965CO 0.09 0.60 0.46 0.50 0.09 0.00 0.00 178.44 180.17 1a9x h LYS 2966N 0.18 0.68 0.00 1.13 3.64 -0.50 0.22 116.57 121.92 1a9x h LYS 2966Ca 0.07 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1a9x h LYS 2966Cb 0.39 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1a9x h LYS 2966CO 0.01 0.45 0.00 0.94 -2.27 0.00 0.00 179.45 178.58 1a9x n GLN 2967N -4.81 0.17 0.00 1.90 -0.06 -0.67 -4.87 117.38 109.03 1a9x n GLN 2967Ca 0.16 0.44 0.00 0.00 -2.00 0.00 0.00 57.00 55.60 1a9x n GLN 2967Cb 0.37 -1.86 0.00 0.00 -4.06 0.00 0.00 30.24 24.69 1a9x n GLN 2967CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1a9x n GLY 2968N -0.18 0.89 3.84 1.69 0.00 0.76 -4.88 105.19 107.32 1a9x n GLY 2968Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1a9x n GLY 2968CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a9x s PHE 2969N -2.00 3.36 0.19 1.61 0.40 0.22 -4.56 117.98 117.20 1a9x s PHE 2969Ca 0.00 1.36 -0.10 0.00 -0.60 0.00 0.00 56.93 57.59 1a9x s PHE 2969Cb 0.00 -2.65 -0.07 0.00 0.51 0.00 0.00 43.02 40.81 1a9x s PHE 2969CO 0.00 -0.03 0.51 -1.21 0.70 0.00 0.00 175.22 175.19 1a9x s GLU 2970N -3.20 3.80 -0.01 0.44 2.02 -0.54 -4.41 118.70 116.80 1a9x s GLU 2970Ca 0.57 0.25 0.07 0.00 0.02 0.00 0.00 54.97 55.88 1a9x s GLU 2970Cb -0.10 -2.75 -0.02 0.00 0.10 0.00 0.00 34.13 31.35 1a9x s GLU 2970CO 0.18 0.39 -0.21 -0.51 0.02 0.00 0.00 175.26 175.12 1a9x s LEU 2971N -2.57 2.35 0.25 1.80 1.43 -1.26 -1.45 118.68 119.23 1a9x s LEU 2971Ca 0.44 -0.40 0.12 0.00 -1.03 0.00 0.00 54.13 53.25 1a9x s LEU 2971Cb -0.12 -1.42 -0.05 0.00 0.03 0.00 0.00 46.19 44.63 1a9x s LEU 2971CO 0.21 0.31 -0.21 -1.81 0.23 0.00 0.00 176.35 175.08 1a9x s ASP 2972N -0.88 3.49 0.13 2.29 1.11 -0.43 -1.17 116.67 121.21 1a9x s ASP 2972Ca 0.11 -0.98 -0.24 0.00 0.18 0.00 0.00 52.55 51.62 1a9x s ASP 2972Cb -0.10 -0.28 0.07 0.00 1.07 0.00 0.00 42.92 43.68 1a9x s ASP 2972CO 0.01 0.06 0.64 0.00 1.18 0.00 0.00 175.17 177.06 1a9x s ALA 2973N -2.27 -1.64 0.39 5.23 0.00 0.24 -1.55 121.76 122.17 1a9x s ALA 2973Ca 0.27 0.61 -0.03 0.00 0.00 0.00 0.00 51.96 52.81 1a9x s ALA 2973Cb -0.06 0.77 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 1a9x s ALA 2973CO 0.13 -0.73 0.64 0.95 0.00 0.00 0.00 175.76 176.75 1a9x s THR 2974N -3.51 5.01 0.05 0.00 -4.23 -1.11 -0.99 115.64 110.86 1a9x s THR 2974Ca 0.01 -0.12 -0.10 0.00 -1.18 0.00 0.00 61.69 60.30 1a9x s THR 2974Cb -0.01 -3.84 -0.02 0.00 1.34 0.00 0.00 72.50 69.97 1a9x s THR 2974CO -0.11 -0.63 0.69 1.57 -0.54 0.00 0.00 174.62 175.59 1a9x n HIS 2975N -1.83 -0.14 -0.24 3.99 -0.00 -1.26 -0.05 115.22 115.69 1a9x n HIS 2975Ca -0.02 0.40 -0.02 0.00 0.46 0.00 0.00 57.72 58.54 1a9x n HIS 2975Cb 0.55 -0.43 0.17 0.00 -0.12 0.00 0.00 29.99 30.16 1a9x n HIS 2975CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 1a9x h GLY 2976N 0.00 1.14 0.93 1.57 0.00 -1.96 0.16 103.07 104.90 1a9x h GLY 2976Ca 0.05 -0.51 -0.12 0.00 0.00 0.00 0.00 47.33 46.75 1a9x h GLY 2976CO -0.30 0.49 -0.33 -0.84 0.00 0.00 0.00 176.54 175.56 1a9x h THR 2977N 1.07 1.32 -0.84 4.70 2.02 -1.65 -1.96 112.91 117.56 1a9x h THR 2977Ca 0.27 -1.53 0.08 0.00 0.77 0.00 0.00 66.41 66.00 1a9x h THR 2977Cb 0.04 1.77 -0.07 0.00 -1.74 0.00 0.00 68.15 68.15 1a9x h THR 2977CO -0.04 0.48 0.50 0.00 0.37 0.00 0.00 175.52 176.83 1a9x h ALA 2978N 0.64 1.19 0.27 6.16 0.00 0.19 0.30 119.26 128.00 1a9x h ALA 2978Ca 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1a9x h ALA 2978Cb 0.92 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1a9x h ALA 2978CO 0.08 0.18 -0.13 0.82 0.00 0.00 0.00 179.25 180.19 1a9x h ILE 2979N 0.87 0.74 -0.54 0.00 1.08 -0.49 0.11 117.51 119.28 1a9x h ILE 2979Ca 0.39 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.86 1a9x h ILE 2979Cb 0.29 0.75 -0.03 0.00 -3.07 0.00 0.00 36.82 34.76 1a9x h ILE 2979CO -0.22 0.00 0.35 0.58 -0.69 0.00 0.00 178.15 178.18 1a9x h VAL 2980N -0.36 1.14 0.25 1.67 2.07 -0.51 0.31 116.25 120.82 1a9x h VAL 2980Ca -0.04 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1a9x h VAL 2980Cb 0.28 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1a9x h VAL 2980CO 0.06 0.14 -0.12 -0.07 0.02 0.00 0.00 177.57 177.60 1a9x h LEU 2981N 0.72 -0.29 -0.91 2.57 3.38 -0.30 -2.70 115.31 117.79 1a9x h LEU 2981Ca 0.20 -0.06 0.23 0.00 0.09 0.00 0.00 57.88 58.33 1a9x h LEU 2981Cb -0.07 0.07 -0.13 0.00 0.09 0.00 0.00 40.66 40.62 1a9x h LEU 2981CO -0.04 -0.12 0.40 1.23 0.09 0.00 0.00 178.44 180.00 1a9x h GLY 2982N -0.44 1.58 1.87 0.83 0.00 0.19 1.93 103.07 109.04 1a9x h GLY 2982Ca -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1a9x h GLY 2982CO 0.06 -0.29 0.00 1.18 0.00 0.00 0.00 176.54 177.49 1a9x n GLU 2983N -5.05 0.04 -0.16 4.80 1.02 0.07 -1.27 120.64 120.09 1a9x n GLU 2983Ca 0.23 0.31 0.05 0.00 -0.02 0.00 0.00 57.16 57.73 1a9x n GLU 2983Cb 0.69 -1.50 0.13 0.00 -0.02 0.00 0.00 31.44 30.74 1a9x n GLU 2983CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a9x n ALA 2984N -1.44 2.21 -0.46 0.62 0.00 0.65 -4.93 120.51 117.17 1a9x n ALA 2984Ca 0.03 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 52.21 1a9x n ALA 2984Cb 0.09 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.18 1a9x n ALA 2984CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a9x n GLY 2985N 0.13 0.75 3.38 0.00 0.00 -0.39 -5.04 105.19 104.02 1a9x n GLY 2985Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 1a9x n GLY 2985CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a9x s ILE 2986N -2.41 3.51 -0.42 -0.61 1.01 -0.80 -4.97 121.20 116.51 1a9x s ILE 2986Ca 0.00 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.19 1a9x s ILE 2986Cb 0.00 -2.56 0.12 0.00 0.01 0.00 0.00 42.46 40.03 1a9x s ILE 2986CO 0.00 0.46 0.18 0.20 0.00 0.00 0.00 174.94 175.77 1a9x s ASN 2987N 0.94 4.88 0.87 3.58 0.02 -1.26 -0.50 114.94 123.47 1a9x s ASN 2987Ca -0.00 -2.35 -0.12 0.00 -1.02 0.00 0.00 52.86 49.37 1a9x s ASN 2987Cb -0.15 -1.72 0.16 0.00 0.02 0.00 0.00 41.25 39.57 1a9x s ASN 2987CO 0.01 -0.40 1.21 -2.16 0.02 0.00 0.00 177.10 175.78 1a9x s PRO 2988N 0.65 1.15 -0.21 -0.60 0.04 -1.26 -5.00 135.00 129.78 1a9x s PRO 2988Ca 0.12 -0.48 -0.28 0.00 0.04 0.00 0.00 61.00 60.40 1a9x s PRO 2988Cb -0.21 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1a9x s PRO 2988CO -0.05 -2.01 1.00 0.50 0.04 0.00 0.00 177.00 176.48 1a9x s ARG 2989N -5.64 4.28 0.30 4.56 3.52 -0.32 -4.86 118.95 120.78 1a9x s ARG 2989Ca 0.70 1.30 -0.28 0.00 -0.13 0.00 0.00 55.73 57.31 1a9x s ARG 2989Cb -0.06 -3.62 -0.09 0.00 -1.56 0.00 0.00 34.95 29.62 1a9x s ARG 2989CO 0.50 -0.56 1.08 -1.17 -0.81 0.00 0.00 175.30 174.34 1a9x s LEU 2990N 2.94 4.48 0.06 -0.88 2.96 -1.26 -0.59 118.68 126.39 1a9x s LEU 2990Ca 0.43 2.21 0.05 0.00 -0.22 0.00 0.00 54.13 56.60 1a9x s LEU 2990Cb -0.16 -3.73 -0.03 0.00 0.50 0.00 0.00 46.19 42.77 1a9x s LEU 2990CO 0.08 -0.19 -0.14 0.54 -1.32 0.00 0.00 176.35 175.32 1a9x s VAL 2991N -1.26 1.13 0.10 1.68 0.11 -0.16 -4.84 120.40 117.16 1a9x s VAL 2991Ca 0.47 -1.22 -0.12 0.00 -2.93 0.00 0.00 61.98 58.17 1a9x s VAL 2991Cb -0.30 -1.07 -0.06 0.00 -1.53 0.00 0.00 36.38 33.42 1a9x s VAL 2991CO 0.38 -0.15 0.47 0.20 -3.33 0.00 0.00 175.10 172.66 1a9x s ASN 2992N -1.57 6.74 1.10 3.54 0.02 -1.26 -4.37 114.94 119.14 1a9x s ASN 2992Ca -0.01 0.94 -0.15 0.00 -1.02 0.00 0.00 52.86 52.62 1a9x s ASN 2992Cb -0.09 -2.23 0.24 0.00 0.02 0.00 0.00 41.25 39.18 1a9x s ASN 2992CO 0.02 0.16 1.08 -0.54 0.02 0.00 0.00 177.10 177.84 1a9x s LYS 2993N -1.83 -0.37 0.12 -0.60 1.02 -1.26 -0.62 119.74 116.20 1a9x s LYS 2993Ca 0.34 0.37 -0.14 0.00 0.02 0.00 0.00 55.97 56.56 1a9x s LYS 2993Cb -0.15 -1.66 -0.04 0.00 -0.52 0.00 0.00 37.83 35.47 1a9x s LYS 2993CO 0.18 -3.24 1.51 0.28 -0.92 0.00 0.00 175.35 173.16 1a9x h VAL 2994N -2.25 1.28 0.00 3.17 2.07 -1.96 -2.67 116.25 115.89 1a9x h VAL 2994Ca -0.53 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 65.74 1a9x h VAL 2994Cb 1.33 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1a9x h VAL 2994CO 0.50 0.41 0.00 0.00 0.02 0.00 0.00 177.57 178.50 1a9x n HIS 2995N -4.32 0.00 -0.02 1.57 1.44 -1.26 -3.43 115.22 109.20 1a9x n HIS 2995Ca -0.02 -0.02 -0.02 0.00 -2.01 0.00 0.00 57.72 55.65 1a9x n HIS 2995Cb 0.38 -0.09 -0.03 0.00 0.12 0.00 0.00 29.99 30.38 1a9x n HIS 2995CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1a9x n GLU 2996N 0.11 3.32 -1.61 -1.40 1.02 -1.01 -5.13 120.64 115.95 1a9x n GLU 2996Ca 0.00 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1a9x n GLU 2996Cb 0.22 -1.10 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 1a9x n GLU 2996CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a9x n GLY 2997N 2.76 -0.36 3.25 0.62 0.00 -1.22 -4.97 105.19 105.27 1a9x n GLY 2997Ca -0.06 -1.68 -0.20 0.00 0.00 0.00 0.00 46.02 44.08 1a9x n GLY 2997CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a9x s ARG 2998N -1.60 1.04 0.64 1.61 0.52 -1.26 -3.43 118.95 116.46 1a9x s ARG 2998Ca 0.00 -1.18 -0.10 0.00 -0.52 0.00 0.00 55.73 53.93 1a9x s ARG 2998Cb 0.00 -1.06 -0.01 0.00 0.52 0.00 0.00 34.95 34.39 1a9x s ARG 2998CO 0.00 0.23 1.03 -2.14 0.02 0.00 0.00 175.30 174.43 1a9x s PRO 2999N -2.29 3.23 0.51 3.54 0.01 -1.26 -5.10 135.00 133.64 1a9x s PRO 2999Ca 0.07 0.52 0.02 0.00 0.01 0.00 0.00 61.00 61.61 1a9x s PRO 2999Cb -0.07 -2.10 -0.01 0.00 0.01 0.00 0.00 34.50 32.33 1a9x s PRO 2999CO 0.04 -0.74 0.03 -3.38 0.01 0.00 0.00 177.00 172.95 1a9x s HIS 3000N -3.20 1.87 0.25 6.54 -3.43 -1.22 -4.03 115.29 112.07 1a9x s HIS 3000Ca 0.56 -0.94 -0.08 0.00 -0.80 0.00 0.00 55.06 53.79 1a9x s HIS 3000Cb -0.11 -1.64 0.42 0.00 -1.43 0.00 0.00 32.58 29.82 1a9x s HIS 3000CO 0.52 0.20 1.60 0.82 -2.00 0.00 0.00 174.74 175.87 1a9x h ILE 3001N 1.33 0.20 -0.74 -5.38 2.04 -1.13 0.56 117.51 114.39 1a9x h ILE 3001Ca -0.44 -0.01 0.03 0.00 1.00 0.00 0.00 64.86 65.45 1a9x h ILE 3001Cb 1.31 0.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 1a9x h ILE 3001CO 0.73 0.00 0.46 -0.61 0.00 0.00 0.00 178.15 178.74 1a9x h GLN 3002N 0.03 0.87 -0.60 2.37 -0.00 -1.93 0.41 115.11 116.25 1a9x h GLN 3002Ca 0.42 -0.05 -0.04 0.00 -0.00 0.00 0.00 58.65 58.98 1a9x h GLN 3002Cb 0.70 -0.20 -0.03 0.00 0.00 0.00 0.00 27.48 27.96 1a9x h GLN 3002CO -0.81 0.58 0.20 -0.44 0.00 0.00 0.00 178.83 178.35 1a9x h ASP 3003N 0.90 0.87 -0.29 -0.69 3.32 -1.48 -0.56 116.42 118.49 1a9x h ASP 3003Ca 0.30 -0.20 -0.15 0.00 0.02 0.00 0.00 57.03 57.00 1a9x h ASP 3003Cb 0.04 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1a9x h ASP 3003CO -0.12 0.83 -0.39 0.03 -1.72 0.00 0.00 179.24 177.88 1a9x h ARG 3004N 0.85 0.84 -0.03 3.56 3.08 0.00 0.35 114.38 123.03 1a9x h ARG 3004Ca 0.20 -0.44 -0.00 0.00 0.07 0.00 0.00 59.98 59.81 1a9x h ARG 3004Cb 0.27 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 1a9x h ARG 3004CO -0.01 1.07 0.01 0.82 -1.07 0.00 0.00 179.97 180.80 1a9x h ILE 3005N 0.69 1.15 -0.70 2.04 2.04 -0.06 -1.22 117.51 121.45 1a9x h ILE 3005Ca 0.06 -0.44 0.08 0.00 1.00 0.00 0.00 64.86 65.55 1a9x h ILE 3005Cb 0.96 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 38.40 1a9x h ILE 3005CO 0.09 0.12 0.46 0.50 0.00 0.00 0.00 178.15 179.32 1a9x h LYS 3006N -0.14 0.63 0.00 2.37 3.64 -0.97 0.13 116.57 122.23 1a9x h LYS 3006Ca 0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1a9x h LYS 3006Cb 0.19 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1a9x h LYS 3006CO -0.00 0.42 0.00 -1.71 -2.27 0.00 0.00 179.45 175.89 1a9x n ASN 3007N -4.48 0.73 0.00 4.20 2.85 0.12 -4.89 115.26 113.79 1a9x n ASN 3007Ca 0.11 0.60 0.00 0.00 -0.11 0.00 0.00 54.58 55.18 1a9x n ASN 3007Cb 0.28 -0.79 0.00 0.00 1.24 0.00 0.00 39.78 40.52 1a9x n ASN 3007CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1a9x n GLY 3008N 0.87 0.84 0.28 8.20 0.00 0.44 -4.97 105.19 110.85 1a9x n GLY 3008Ca 0.04 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 45.99 1a9x n GLY 3008CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1a9x h GLU 3009N 1.14 0.00 -6.30 1.61 3.07 -1.44 -3.44 114.58 109.22 1a9x h GLU 3009Ca 0.00 0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 58.27 1a9x h GLU 3009Cb 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 27.80 1a9x h GLU 3009CO 0.00 0.03 -0.67 0.71 -1.40 0.00 0.00 179.01 177.68 1a9x s TYR 3010N -4.70 2.72 0.00 4.33 2.02 -1.26 -4.35 117.35 116.11 1a9x s TYR 3010Ca -0.05 -0.20 0.00 0.00 -0.37 0.00 0.00 57.07 56.46 1a9x s TYR 3010Cb 0.15 -1.27 0.00 0.00 -0.40 0.00 0.00 41.96 40.44 1a9x s TYR 3010CO 0.60 0.56 0.20 0.25 -1.57 0.00 0.00 175.55 175.59 1a9x n THR 3011N -0.44 0.00 -3.65 -0.71 -2.24 0.05 -4.91 114.28 102.39 1a9x n THR 3011Ca -0.08 -0.43 -0.13 0.00 -2.27 0.00 0.00 64.05 61.14 1a9x n THR 3011Cb 0.57 1.06 -0.08 0.00 -2.10 0.00 0.00 70.33 69.79 1a9x n THR 3011CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1a9x s TYR 3012N -0.47 -0.76 -0.03 4.78 5.04 -1.20 -4.07 117.35 120.65 1a9x s TYR 3012Ca 0.00 1.80 0.01 0.00 -2.44 0.00 0.00 57.07 56.44 1a9x s TYR 3012Cb 0.00 0.29 0.02 0.00 0.35 0.00 0.00 41.96 42.62 1a9x s TYR 3012CO 0.00 -0.37 -0.03 0.42 -1.34 0.00 0.00 175.55 174.23 1a9x s ILE 3013N 0.52 0.35 -0.30 3.14 1.01 -0.34 -0.57 121.20 125.02 1a9x s ILE 3013Ca -0.01 -0.06 0.02 0.00 0.00 0.00 0.00 60.65 60.59 1a9x s ILE 3013Cb -0.05 -0.38 0.07 0.00 0.01 0.00 0.00 42.46 42.11 1a9x s ILE 3013CO -0.02 0.16 -0.02 -0.51 0.00 0.00 0.00 174.94 174.55 1a9x s ILE 3014N 0.68 2.46 -0.20 2.92 1.10 0.88 -1.23 121.20 127.80 1a9x s ILE 3014Ca -0.08 -1.79 -0.01 0.00 -0.51 0.00 0.00 60.65 58.26 1a9x s ILE 3014Cb -0.11 -2.55 0.06 0.00 0.15 0.00 0.00 42.46 40.00 1a9x s ILE 3014CO -0.01 -0.24 -0.01 0.21 -2.11 0.00 0.00 174.94 172.79 1a9x s ASN 3015N 1.14 3.15 0.03 4.50 3.04 -0.97 -0.77 114.94 125.06 1a9x s ASN 3015Ca -0.02 -0.88 0.08 0.00 0.04 0.00 0.00 52.86 52.08 1a9x s ASN 3015Cb -0.20 -0.84 -0.03 0.00 -1.54 0.00 0.00 41.25 38.64 1a9x s ASN 3015CO -0.05 -0.26 -0.23 0.42 -3.04 0.00 0.00 177.10 173.95 1a9x s THR 3016N 1.67 2.39 0.04 -5.21 -4.23 -0.34 -4.27 115.64 105.69 1a9x s THR 3016Ca -0.02 -1.24 -0.05 0.00 -1.18 0.00 0.00 61.69 59.20 1a9x s THR 3016Cb -0.17 -1.94 -0.01 0.00 1.34 0.00 0.00 72.50 71.71 1a9x s THR 3016CO -0.07 0.40 0.08 -0.89 -0.54 0.00 0.00 174.62 173.60 1a9x s THR 3017N -0.81 0.14 -0.03 3.99 2.01 -1.26 -2.50 115.64 117.18 1a9x s THR 3017Ca 0.12 -1.13 -0.01 0.00 0.31 0.00 0.00 61.69 60.99 1a9x s THR 3017Cb -0.10 -0.90 0.03 0.00 0.01 0.00 0.00 72.50 71.54 1a9x s THR 3017CO 0.02 -0.62 0.05 -0.44 -0.69 0.00 0.00 174.62 172.94 1a9x s SER 3018N -2.14 0.52 0.00 3.53 0.01 -1.26 -4.97 113.70 109.38 1a9x s SER 3018Ca -0.05 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.28 1a9x s SER 3018Cb -0.01 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.14 1a9x s SER 3018CO -0.05 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.03 1a9x n GLY 3019N 4.67 2.63 0.33 3.44 0.00 -1.26 -4.61 105.19 110.40 1a9x n GLY 3019Ca -0.17 -1.27 0.17 0.00 0.00 0.00 0.00 46.02 44.74 1a9x n GLY 3019CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1a9x h ARG 3020N 0.00 0.03 -0.02 1.61 9.65 -1.99 -0.79 114.38 122.87 1a9x h ARG 3020Ca 0.00 -0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.82 1a9x h ARG 3020Cb 0.00 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 1a9x h ARG 3020CO 0.00 0.02 -0.22 -0.09 2.80 0.00 0.00 179.97 182.48 1a9x h ARG 3021N 0.03 0.18 -0.55 0.20 2.43 -1.99 -2.48 114.38 112.20 1a9x h ARG 3021Ca 0.63 -0.17 0.11 0.00 -0.81 0.00 0.00 59.98 59.74 1a9x h ARG 3021Cb 1.37 0.04 -0.11 0.00 -0.42 0.00 0.00 29.97 30.85 1a9x h ARG 3021CO -0.87 0.87 -0.18 0.00 -1.51 0.00 0.00 179.97 178.28 1a9x h ALA 3022N 0.32 0.28 0.15 2.80 0.00 -1.61 0.83 119.26 122.04 1a9x h ALA 3022Ca -0.02 0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1a9x h ALA 3022Cb 0.93 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 1a9x h ALA 3022CO 0.04 -0.48 -0.21 0.82 0.00 0.00 0.00 179.25 179.42 1a9x h ILE 3023N -0.05 0.53 -0.71 0.00 2.04 -1.23 0.12 117.51 118.22 1a9x h ILE 3023Ca 0.26 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.14 1a9x h ILE 3023Cb 0.45 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 1a9x h ILE 3023CO -0.59 0.00 0.46 -0.33 0.00 0.00 0.00 178.15 177.69 1a9x h GLU 3024N -0.42 0.89 -0.51 2.37 5.08 -0.72 -1.57 114.58 119.70 1a9x h GLU 3024Ca 0.01 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1a9x h GLU 3024Cb 0.42 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1a9x h GLU 3024CO -0.09 0.59 0.27 -0.44 -1.00 0.00 0.00 179.01 178.34 1a9x h ASP 3025N 0.92 0.62 0.64 1.42 5.19 0.13 -2.77 116.42 122.56 1a9x h ASP 3025Ca 0.27 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.64 1a9x h ASP 3025Cb -0.04 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.31 1a9x h ASP 3025CO -0.08 0.51 -0.09 -1.54 -3.12 0.00 0.00 179.24 174.91 1a9x n SER 3026N -4.40 0.19 -0.36 6.45 3.41 0.34 -4.41 113.62 114.84 1a9x n SER 3026Ca 0.04 -0.07 0.34 0.00 -0.26 0.00 0.00 58.87 58.92 1a9x n SER 3026Cb 0.10 -0.23 0.61 0.00 -0.26 0.00 0.00 64.21 64.42 1a9x n SER 3026CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1a9x h ARG 3027N 0.15 0.02 -0.17 4.33 2.43 -1.05 -1.69 114.38 118.41 1a9x h ARG 3027Ca 0.00 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1a9x h ARG 3027Cb 0.40 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1a9x h ARG 3027CO 0.00 0.01 -0.16 -0.24 -1.51 0.00 0.00 179.97 178.08 1a9x h VAL 3028N 0.02 1.20 -0.09 0.20 3.04 -1.83 -0.56 116.25 118.22 1a9x h VAL 3028Ca 0.85 -0.90 -0.03 0.00 -1.01 0.00 0.00 66.70 65.61 1a9x h VAL 3028Cb 2.36 1.25 -0.00 0.00 -2.01 0.00 0.00 31.29 32.89 1a9x h VAL 3028CO -0.68 0.28 -0.05 0.40 -1.01 0.00 0.00 177.57 176.51 1a9x h ILE 3029N 0.26 1.32 -0.26 3.17 2.04 -1.66 0.13 117.51 122.51 1a9x h ILE 3029Ca 0.05 -1.07 -0.05 0.00 1.00 0.00 0.00 64.86 64.79 1a9x h ILE 3029Cb 0.44 1.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 1a9x h ILE 3029CO 0.03 0.30 -0.02 0.03 0.00 0.00 0.00 178.15 178.49 1a9x h ARG 3030N -0.17 0.48 -0.44 2.37 3.08 -1.62 0.31 114.38 118.40 1a9x h ARG 3030Ca 0.02 -0.17 0.03 0.00 0.07 0.00 0.00 59.98 59.93 1a9x h ARG 3030Cb 0.50 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 1a9x h ARG 3030CO 0.01 0.67 0.24 0.00 -1.07 0.00 0.00 179.97 179.82 1a9x h ARG 3031N 0.25 0.47 -0.49 0.04 3.08 -1.09 -1.29 114.38 115.35 1a9x h ARG 3031Ca 0.07 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.01 1a9x h ARG 3031Cb 0.46 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 1a9x h ARG 3031CO 0.02 0.31 -0.03 0.77 -1.07 0.00 0.00 179.97 179.97 1a9x h SER 3032N 0.48 0.81 0.19 7.04 0.02 -0.61 -2.28 113.55 119.21 1a9x h SER 3032Ca 0.18 -0.21 0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1a9x h SER 3032Cb 0.05 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 1a9x h SER 3032CO -0.10 0.89 -0.21 0.00 -1.14 0.00 0.00 176.83 176.27 1a9x h ALA 3033N 1.19 -0.42 0.06 3.77 0.00 0.20 0.13 119.26 124.20 1a9x h ALA 3033Ca 0.14 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1a9x h ALA 3033Cb 0.51 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 1a9x h ALA 3033CO 0.03 -0.76 -0.37 1.25 0.00 0.00 0.00 179.25 179.40 1a9x h LEU 3034N -0.44 -1.09 -1.23 0.00 5.85 -1.19 0.16 115.31 117.37 1a9x h LEU 3034Ca 0.00 0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.91 1a9x h LEU 3034Cb 0.42 0.42 -0.05 0.00 0.37 0.00 0.00 40.66 41.82 1a9x h LEU 3034CO -0.06 -0.44 0.54 -0.61 -0.34 0.00 0.00 178.44 177.54 1a9x h GLN 3035N -0.56 0.92 -0.01 1.25 4.15 -1.35 -1.96 115.11 117.55 1a9x h GLN 3035Ca 0.04 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1a9x h GLN 3035Cb 0.62 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.10 1a9x h GLN 3035CO -0.25 0.61 -0.23 0.66 -1.93 0.00 0.00 178.83 177.69 1a9x n TYR 3036N -4.47 0.00 -1.91 3.99 4.01 0.44 -4.94 117.16 114.28 1a9x n TYR 3036Ca 0.12 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.77 1a9x n TYR 3036Cb 0.18 -0.17 -0.01 0.00 -0.31 0.00 0.00 39.34 39.02 1a9x n TYR 3036CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1a9x n LYS 3037N -0.89 -0.66 -3.32 -0.72 4.76 0.42 -4.99 118.16 112.77 1a9x n LYS 3037Ca 0.12 0.52 -0.39 0.00 -2.87 0.00 0.00 58.31 55.69 1a9x n LYS 3037Cb 0.32 -4.46 -0.08 0.00 -1.84 0.00 0.00 35.03 28.97 1a9x n LYS 3037CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1a9x s VAL 3038N -2.40 5.13 0.14 -0.18 1.01 -0.41 -4.75 120.40 118.94 1a9x s VAL 3038Ca 0.00 0.73 -0.34 0.00 0.00 0.00 0.00 61.98 62.38 1a9x s VAL 3038Cb 0.00 -3.76 -0.13 0.00 0.00 0.00 0.00 36.38 32.48 1a9x s VAL 3038CO 0.00 0.14 1.62 1.57 0.00 0.00 0.00 175.10 178.43 1a9x n HIS 3039N 5.30 2.32 -4.07 5.22 -0.00 -1.26 -4.52 115.22 118.22 1a9x n HIS 3039Ca -0.06 0.22 -0.13 0.00 0.46 0.00 0.00 57.72 58.20 1a9x n HIS 3039Cb 0.50 -2.57 -0.12 0.00 -0.12 0.00 0.00 29.99 27.69 1a9x n HIS 3039CO 0.00 0.00 0.00 1.52 0.46 0.00 0.00 176.34 178.32 1a9x s TYR 3040N 1.26 0.69 0.01 1.57 1.13 -1.26 -1.19 117.35 119.55 1a9x s TYR 3040Ca 0.80 -0.49 0.08 0.00 -1.41 0.00 0.00 57.07 56.05 1a9x s TYR 3040Cb -0.66 -0.41 -0.02 0.00 -1.10 0.00 0.00 41.96 39.76 1a9x s TYR 3040CO 0.39 -0.08 -0.25 -0.51 -2.51 0.00 0.00 175.55 172.59 1a9x s ASP 3041N -1.55 2.95 0.00 -0.18 1.01 -0.37 -4.97 116.67 113.57 1a9x s ASP 3041Ca -0.09 -0.50 0.03 0.00 0.71 0.00 0.00 52.55 52.70 1a9x s ASP 3041Cb -0.10 -0.30 0.08 0.00 1.01 0.00 0.00 42.92 43.61 1a9x s ASP 3041CO 0.00 0.28 0.98 0.35 0.21 0.00 0.00 175.17 176.99 1a9x n THR 3042N 2.20 0.78 -4.14 -1.27 -2.24 -1.26 -2.29 114.28 106.06 1a9x n THR 3042Ca -0.16 -0.89 -0.16 0.00 -2.27 0.00 0.00 64.05 60.57 1a9x n THR 3042Cb 0.52 0.62 -0.12 0.00 -2.10 0.00 0.00 70.33 69.26 1a9x n THR 3042CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1a9x s THR 3043N -0.85 0.91 0.08 4.28 -4.23 -1.26 -4.54 115.64 110.04 1a9x s THR 3043Ca 0.07 -1.29 -0.18 0.00 -1.18 0.00 0.00 61.69 59.11 1a9x s THR 3043Cb 0.04 -0.98 -0.09 0.00 1.34 0.00 0.00 72.50 72.81 1a9x s THR 3043CO 0.05 -0.33 1.47 0.25 -0.54 0.00 0.00 174.62 175.52 1a9x h LEU 3044N 4.23 0.52 -1.55 4.79 5.85 -1.95 -1.56 115.31 125.65 1a9x h LEU 3044Ca -0.39 -0.38 0.15 0.00 0.84 0.00 0.00 57.88 58.10 1a9x h LEU 3044Cb 1.19 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.03 1a9x h LEU 3044CO 0.42 0.78 0.52 0.78 -0.34 0.00 0.00 178.44 180.61 1a9x h ASN 3045N 0.25 0.42 -0.33 1.25 4.21 -1.96 0.19 115.58 119.60 1a9x h ASN 3045Ca 0.06 0.03 -0.11 0.00 1.21 0.00 0.00 56.30 57.49 1a9x h ASN 3045Cb 0.57 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.70 1a9x h ASN 3045CO 0.03 0.21 -0.23 1.23 -1.29 0.00 0.00 177.43 177.38 1a9x h GLY 3046N 0.44 0.81 0.99 2.83 0.00 -1.74 -1.74 103.07 104.66 1a9x h GLY 3046Ca 0.39 -0.78 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1a9x h GLY 3046CO -0.13 0.70 0.33 -1.33 0.00 0.00 0.00 176.54 176.11 1a9x h GLY 3047N 0.52 0.91 1.45 4.60 0.00 0.23 0.01 103.07 110.78 1a9x h GLY 3047Ca 0.06 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 1a9x h GLY 3047CO 0.06 0.40 0.32 0.74 0.00 0.00 0.00 176.54 178.06 1a9x h PHE 3048N 0.82 0.70 -0.24 5.60 0.04 -0.65 0.33 116.94 123.55 1a9x h PHE 3048Ca 0.21 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.80 1a9x h PHE 3048Cb 0.05 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 37.97 1a9x h PHE 3048CO -0.01 0.48 -0.58 0.00 -0.60 0.00 0.00 178.31 177.59 1a9x h ALA 3049N 1.61 0.52 -0.07 2.45 0.00 -0.79 -1.84 119.26 121.14 1a9x h ALA 3049Ca 0.19 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1a9x h ALA 3049Cb -0.02 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1a9x h ALA 3049CO -0.04 0.69 0.04 1.15 0.00 0.00 0.00 179.25 181.10 1a9x h THR 3050N 0.57 1.05 -0.29 0.00 2.02 -0.18 -2.24 112.91 113.84 1a9x h THR 3050Ca 0.00 -0.14 0.06 0.00 0.77 0.00 0.00 66.41 67.11 1a9x h THR 3050Cb 1.17 1.01 -0.06 0.00 -1.74 0.00 0.00 68.15 68.54 1a9x h THR 3050CO 0.12 0.05 -0.10 0.00 0.37 0.00 0.00 175.52 175.96 1a9x h ALA 3051N 0.98 0.16 -0.43 6.16 0.00 -0.85 -1.85 119.26 123.44 1a9x h ALA 3051Ca 0.03 0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.12 1a9x h ALA 3051Cb 0.04 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 1a9x h ALA 3051CO -0.00 -0.49 0.08 0.52 0.00 0.00 0.00 179.25 179.35 1a9x h MET 3052N -0.04 0.20 -0.15 0.00 2.86 -1.17 -1.27 114.93 115.36 1a9x h MET 3052Ca 0.15 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.82 1a9x h MET 3052Cb 0.26 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1a9x h MET 3052CO -0.32 0.13 0.16 0.00 1.06 0.00 0.00 176.91 177.94 1a9x h ALA 3053N 1.33 1.78 -0.41 6.32 0.00 -0.73 -1.01 119.26 126.54 1a9x h ALA 3053Ca 0.21 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.23 1a9x h ALA 3053Cb 0.26 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1a9x h ALA 3053CO -0.28 -0.23 0.31 -0.07 0.00 0.00 0.00 179.25 178.98 1a9x h LEU 3054N 0.00 0.00 -0.25 0.00 3.38 -0.84 0.20 115.31 117.80 1a9x h LEU 3054Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1a9x h LEU 3054Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1a9x h LEU 3054CO -0.00 0.00 0.00 0.78 0.09 0.00 0.00 178.44 179.31 1a9x h ASN 3055N 0.00 0.00 -2.50 -0.43 -0.26 -1.29 -3.46 115.58 107.65 1a9x h ASN 3055Ca 0.20 0.00 -0.45 0.00 -0.56 0.00 0.00 56.30 55.48 1a9x h ASN 3055Cb 0.82 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 38.10 1a9x h ASN 3055CO -0.00 0.00 -0.17 0.00 -1.06 0.00 0.00 177.43 176.20 1a9x s ALA 3056N -3.28 3.88 -0.27 -0.83 0.00 0.69 -5.08 121.76 116.87 1a9x s ALA 3056Ca 0.06 -1.16 0.02 0.00 0.00 0.00 0.00 51.96 50.89 1a9x s ALA 3056Cb 0.06 -2.01 0.07 0.00 0.00 0.00 0.00 23.12 21.24 1a9x s ALA 3056CO 0.64 -0.26 -0.04 0.34 0.00 0.00 0.00 175.76 176.44 1a9x s ASP 3057N -4.19 4.26 0.35 0.00 2.15 -1.26 -5.01 116.67 112.97 1a9x s ASP 3057Ca 0.47 -1.48 0.07 0.00 0.43 0.00 0.00 52.55 52.03 1a9x s ASP 3057Cb -0.10 -1.38 0.65 0.00 -0.30 0.00 0.00 42.92 41.80 1a9x s ASP 3057CO 0.36 -0.26 1.87 0.00 -0.17 0.00 0.00 175.17 176.97 1a9x h ALA 3058N 7.83 1.39 -0.00 3.66 0.00 -1.89 -2.91 119.26 127.33 1a9x h ALA 3058Ca -0.15 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1a9x h ALA 3058Cb 1.05 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1a9x h ALA 3058CO 0.45 0.42 -0.11 0.25 0.00 0.00 0.00 179.25 180.26 1a9x n THR 3059N -4.25 0.00 0.36 0.00 -2.24 -1.26 -4.38 114.28 102.52 1a9x n THR 3059Ca 0.00 -0.08 -0.15 0.00 -2.27 0.00 0.00 64.05 61.56 1a9x n THR 3059Cb 0.28 -0.03 -0.07 0.00 -2.10 0.00 0.00 70.33 68.41 1a9x n THR 3059CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1a9x h GLU 3060N 0.72 -0.93 -6.71 -0.78 4.81 -1.93 -3.46 114.58 106.30 1a9x h GLU 3060Ca 0.00 0.06 -0.69 0.00 -0.13 0.00 0.00 59.36 58.60 1a9x h GLU 3060Cb 0.36 0.21 -0.26 0.00 0.63 0.00 0.00 28.75 29.70 1a9x h GLU 3060CO 0.00 -0.62 -0.87 0.21 -0.73 0.00 0.00 179.01 177.01 1a9x s LYS 3061N -4.70 1.85 0.02 1.92 2.20 -1.26 -5.10 119.74 114.67 1a9x s LYS 3061Ca -0.14 -1.09 0.05 0.00 -0.36 0.00 0.00 55.97 54.43 1a9x s LYS 3061Cb 0.01 -2.01 -0.02 0.00 -1.51 0.00 0.00 37.83 34.30 1a9x s LYS 3061CO 0.43 0.52 -0.15 0.14 -0.36 0.00 0.00 175.35 175.93 1a9x s VAL 3062N -0.82 1.19 0.04 4.02 -7.23 -1.26 -5.01 120.40 111.33 1a9x s VAL 3062Ca 0.12 -0.86 0.01 0.00 -1.81 0.00 0.00 61.98 59.44 1a9x s VAL 3062Cb -0.10 -1.04 -0.03 0.00 0.56 0.00 0.00 36.38 35.78 1a9x s VAL 3062CO 0.02 0.16 -0.05 -0.51 -0.31 0.00 0.00 175.10 174.41 1a9x s ILE 3063N -0.63 0.37 0.42 -0.62 2.07 -1.26 -5.09 121.20 116.45 1a9x s ILE 3063Ca 0.04 -1.23 0.03 0.00 -1.41 0.00 0.00 60.65 58.08 1a9x s ILE 3063Cb -0.07 -0.75 -0.00 0.00 0.13 0.00 0.00 42.46 41.77 1a9x s ILE 3063CO 0.01 -0.57 0.60 -0.94 -1.91 0.00 0.00 174.94 172.12 1a9x s SER 3064N -1.91 5.81 0.19 4.50 1.04 -1.26 -4.45 113.70 117.61 1a9x s SER 3064Ca -0.07 0.02 -0.04 0.00 0.48 0.00 0.00 55.95 56.34 1a9x s SER 3064Cb -0.06 -1.28 0.10 0.00 0.10 0.00 0.00 66.02 64.88 1a9x s SER 3064CO -0.02 -0.66 1.50 0.58 0.98 0.00 0.00 173.24 175.62 1a9x h VAL 3065N 0.57 1.31 -0.23 5.02 2.07 -0.01 -1.22 116.25 123.76 1a9x h VAL 3065Ca -0.45 -1.76 0.04 0.00 0.82 0.00 0.00 66.70 65.35 1a9x h VAL 3065Cb 1.26 1.72 -0.04 0.00 -1.52 0.00 0.00 31.29 32.71 1a9x h VAL 3065CO 0.54 0.55 -0.03 1.56 0.02 0.00 0.00 177.57 180.21 1a9x h GLN 3066N 0.47 0.03 -0.55 1.57 7.50 -1.90 -0.34 115.11 121.89 1a9x h GLN 3066Ca 0.01 -0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.16 1a9x h GLN 3066Cb 1.08 -0.01 -0.03 0.00 0.05 0.00 0.00 27.48 28.57 1a9x h GLN 3066CO 0.10 0.02 0.33 0.93 -1.50 0.00 0.00 178.83 178.72 1a9x h GLU 3067N 0.03 0.74 -0.50 1.46 5.08 -1.91 -1.00 114.58 118.50 1a9x h GLU 3067Ca 0.11 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1a9x h GLU 3067Cb 0.16 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1a9x h GLU 3067CO -0.21 0.54 0.19 0.52 -1.00 0.00 0.00 179.01 179.04 1a9x h MET 3068N 0.74 0.76 -0.60 2.33 2.86 -0.84 -2.61 114.93 117.56 1a9x h MET 3068Ca 0.20 -0.15 -0.06 0.00 -2.06 0.00 0.00 59.70 57.64 1a9x h MET 3068Cb -0.02 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.50 1a9x h MET 3068CO -0.04 0.69 0.15 0.45 1.06 0.00 0.00 176.91 179.22 1a9x h HIS 3069N 0.67 0.97 0.00 -0.22 3.86 -0.84 -1.66 115.15 117.93 1a9x h HIS 3069Ca 0.17 -0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 59.26 1a9x h HIS 3069Cb 0.22 -0.28 -0.00 0.00 1.06 0.00 0.00 27.41 28.41 1a9x h HIS 3069CO 0.01 0.80 -0.08 0.00 0.86 0.00 0.00 177.93 179.52 1a9x h ALA 3070N 1.26 1.45 0.00 2.45 0.00 -0.97 -1.81 119.26 121.64 1a9x h ALA 3070Ca 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1a9x h ALA 3070Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1a9x h ALA 3070CO -0.00 0.10 0.00 1.04 0.00 0.00 0.00 179.25 180.39 1a9x n GLN 3071N -3.84 0.01 -2.78 0.00 6.02 -0.63 -4.80 117.38 111.36 1a9x n GLN 3071Ca -0.02 0.07 -0.42 0.00 -0.01 0.00 0.00 57.00 56.62 1a9x n GLN 3071Cb 0.18 -1.51 -0.03 0.00 1.02 0.00 0.00 30.24 29.89 1a9x n GLN 3071CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1a9x s ILE 3072N -3.01 4.83 -2.37 5.09 1.01 -0.68 -4.78 121.20 121.29 1a9x s ILE 3072Ca 0.12 1.86 0.29 0.00 0.00 0.00 0.00 60.65 62.92 1a9x s ILE 3072Cb 0.16 -4.23 0.64 0.00 0.01 0.00 0.00 42.46 39.04 1a9x s ILE 3072CO 0.46 0.02 1.87 0.29 0.00 0.00 0.00 174.94 177.59