#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rxs h ASP 2005N 0.00 0.00 -3.61 -3.46 3.32 -1.46 -3.47 116.42 107.74 1rxs h ASP 2005Ca 0.00 -0.08 -0.60 0.00 0.02 0.00 0.00 57.03 56.37 1rxs h ASP 2005Cb 0.00 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 39.35 1rxs h ASP 2005CO 0.00 0.04 -0.82 0.68 -1.72 0.00 0.00 179.24 177.42 1rxs s VAL 2006N -3.30 2.06 0.29 -1.35 -7.23 -1.22 -5.06 120.40 104.58 1rxs s VAL 2006Ca 0.01 -1.86 0.14 0.00 -1.81 0.00 0.00 61.98 58.47 1rxs s VAL 2006Cb 0.11 -1.91 0.07 0.00 0.56 0.00 0.00 36.38 35.21 1rxs s VAL 2006CO 0.77 -0.13 1.74 0.15 -0.31 0.00 0.00 175.10 177.33 1rxs h PHE 2007N 3.50 0.00 0.00 2.82 3.04 -1.95 -3.37 116.94 120.99 1rxs h PHE 2007Ca -0.46 0.00 -0.15 0.00 3.98 0.00 0.00 57.97 61.34 1rxs h PHE 2007Cb 1.20 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.68 1rxs h PHE 2007CO 0.66 0.44 -1.52 0.72 -2.02 0.00 0.00 178.31 176.59 1rxs n HIS 2008N -3.83 0.00 0.39 0.41 8.25 -1.26 -4.76 115.22 114.42 1rxs n HIS 2008Ca -0.01 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.58 1rxs n HIS 2008Cb 0.50 -0.35 0.44 0.00 1.12 0.00 0.00 29.99 31.70 1rxs n HIS 2008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1rxs h LEU 2009N -0.15 0.00 -1.60 2.41 3.38 -1.92 -3.45 115.31 113.98 1rxs h LEU 2009Ca -0.22 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.37 1rxs h LEU 2009Cb 1.27 0.00 0.11 0.00 0.09 0.00 0.00 40.66 42.13 1rxs h LEU 2009CO -0.08 0.00 -0.78 0.61 0.09 0.00 0.00 178.44 178.27 1rxs n GLY 2010N 0.61 -0.36 3.33 0.83 0.00 -1.26 -4.68 105.19 103.67 1rxs n GLY 2010Ca 0.03 0.13 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 1rxs n GLY 2010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rxs s LEU 2011N -6.60 2.53 0.23 0.99 1.43 -1.26 -4.79 118.68 111.21 1rxs s LEU 2011Ca 0.08 -0.98 0.11 0.00 -1.03 0.00 0.00 54.13 52.32 1rxs s LEU 2011Cb -0.04 -0.67 -0.05 0.00 0.03 0.00 0.00 46.19 45.46 1rxs s LEU 2011CO 0.76 -0.15 -0.21 0.42 0.23 0.00 0.00 176.35 177.40 1rxs s THR 2012N -2.79 2.47 0.34 5.49 -4.23 -1.26 -1.04 115.64 114.62 1rxs s THR 2012Ca 0.20 -2.17 0.13 0.00 -1.18 0.00 0.00 61.69 58.68 1rxs s THR 2012Cb -0.02 -2.24 0.33 0.00 1.34 0.00 0.00 72.50 71.91 1rxs s THR 2012CO 0.06 -0.24 1.67 0.50 -0.54 0.00 0.00 174.62 176.07 1rxs h LYS 2013N 2.77 0.33 -0.40 3.99 3.11 -1.96 0.02 116.57 124.43 1rxs h LYS 2013Ca -0.44 -0.02 -0.09 0.00 -2.81 0.00 0.00 60.65 57.29 1rxs h LYS 2013Cb 1.23 -0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 32.37 1rxs h LYS 2013CO 0.53 0.22 -0.13 -0.97 -2.81 0.00 0.00 179.45 176.29 1rxs h ASN 2014N 0.34 0.71 -0.65 4.20 -0.73 -1.95 -2.74 115.58 114.76 1rxs h ASN 2014Ca 0.71 -0.21 0.11 0.00 1.87 0.00 0.00 56.30 58.78 1rxs h ASN 2014Cb 1.59 -0.19 -0.04 0.00 0.27 0.00 0.00 38.32 39.95 1rxs h ASN 2014CO -0.60 0.86 0.43 0.44 -0.37 0.00 0.00 177.43 178.20 1rxs h ASP 2015N 0.65 0.40 1.01 1.15 3.32 -1.38 -2.31 116.42 119.27 1rxs h ASP 2015Ca 0.11 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.05 1rxs h ASP 2015Cb 0.59 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 1rxs h ASP 2015CO 0.04 0.24 -0.58 -0.07 -1.72 0.00 0.00 179.24 177.15 1rxs h LEU 2016N 0.44 0.00 -0.93 1.55 4.07 -1.49 -3.48 115.31 115.48 1rxs h LEU 2016Ca 0.30 0.00 -0.42 0.00 0.08 0.00 0.00 57.88 57.85 1rxs h LEU 2016Cb 0.59 0.00 0.09 0.00 1.08 0.00 0.00 40.66 42.43 1rxs h LEU 2016CO -0.09 0.58 -0.71 0.00 -1.08 0.00 0.00 178.44 177.14 1rxs n GLN 2017N -3.46 -7.28 -0.56 1.13 6.02 -0.87 -2.24 117.38 110.12 1rxs n GLN 2017Ca 0.00 0.77 0.00 0.00 -0.01 0.00 0.00 57.00 57.76 1rxs n GLN 2017Cb 0.68 -5.78 0.00 0.00 1.02 0.00 0.00 30.24 26.16 1rxs n GLN 2017CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rxs n GLY 2018N -1.90 0.95 3.63 1.08 0.00 -1.26 -4.80 105.19 102.89 1rxs n GLY 2018Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1rxs n GLY 2018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxs n ALA 2019N -0.16 0.34 -0.37 4.61 0.00 -0.95 -4.91 120.51 119.07 1rxs n ALA 2019Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1rxs n ALA 2019Cb 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.33 1rxs n ALA 2019CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1rxs n THR 2020N 0.51 0.04 -5.17 0.00 -2.24 -1.26 -4.31 114.28 101.85 1rxs n THR 2020Ca 0.09 -0.33 -0.30 0.00 -2.27 0.00 0.00 64.05 61.23 1rxs n THR 2020Cb 0.33 1.33 -0.16 0.00 -2.10 0.00 0.00 70.33 69.72 1rxs n THR 2020CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1rxs s LEU 2021N -0.04 2.04 -0.09 3.22 0.20 -1.26 0.10 118.68 122.85 1rxs s LEU 2021Ca 0.00 -0.49 0.03 0.00 0.69 0.00 0.00 54.13 54.36 1rxs s LEU 2021Cb 0.00 -1.30 0.01 0.00 -0.43 0.00 0.00 46.19 44.47 1rxs s LEU 2021CO 0.00 0.21 -0.17 0.00 -0.29 0.00 0.00 176.35 176.11 1rxs s ALA 2022N -0.05 1.65 -0.17 5.97 0.00 0.05 -1.69 121.76 127.52 1rxs s ALA 2022Ca -0.06 -0.67 -0.26 0.00 0.00 0.00 0.00 51.96 50.97 1rxs s ALA 2022Cb -0.14 -0.72 -0.01 0.00 0.00 0.00 0.00 23.12 22.25 1rxs s ALA 2022CO 0.04 0.11 0.86 0.42 0.00 0.00 0.00 175.76 177.19 1rxs s ILE 2023N 0.67 4.86 -0.55 0.00 1.01 0.06 -0.77 121.20 126.48 1rxs s ILE 2023Ca -0.13 1.69 0.02 0.00 0.00 0.00 0.00 60.65 62.23 1rxs s ILE 2023Cb -0.16 -4.16 0.14 0.00 0.01 0.00 0.00 42.46 38.28 1rxs s ILE 2023CO 0.04 0.02 0.30 0.68 0.00 0.00 0.00 174.94 175.97 1rxs s VAL 2024N 2.18 2.85 0.86 2.92 -7.23 0.11 -1.64 120.40 120.45 1rxs s VAL 2024Ca 0.40 -3.25 -0.12 0.00 -1.81 0.00 0.00 61.98 57.19 1rxs s VAL 2024Cb -0.17 -2.94 0.11 0.00 0.56 0.00 0.00 36.38 33.94 1rxs s VAL 2024CO 0.13 -0.82 1.13 -2.16 -0.31 0.00 0.00 175.10 173.07 1rxs s PRO 2025N -0.25 1.54 -0.06 4.82 0.04 -1.23 -3.26 135.00 136.59 1rxs s PRO 2025Ca 0.17 0.35 -0.04 0.00 0.04 0.00 0.00 61.00 61.52 1rxs s PRO 2025Cb -0.25 -1.88 -0.27 0.00 0.04 0.00 0.00 34.50 32.14 1rxs s PRO 2025CO -0.01 -1.94 0.61 0.78 0.04 0.00 0.00 177.00 176.48 1rxs h GLY 2026N -1.31 0.30 -7.13 0.56 0.00 -1.83 -0.77 103.07 92.89 1rxs h GLY 2026Ca -0.49 -0.75 -0.62 0.00 0.00 0.00 0.00 47.33 45.46 1rxs h GLY 2026CO 0.62 0.66 -0.29 -0.35 0.00 0.00 0.00 176.54 177.19 1rxs s ASP 2027N -6.96 6.25 0.32 0.19 3.68 -1.26 -0.80 116.67 118.09 1rxs s ASP 2027Ca -0.15 0.29 0.08 0.00 2.13 0.00 0.00 52.55 54.90 1rxs s ASP 2027Cb 0.07 -2.19 0.79 0.00 -1.45 0.00 0.00 42.92 40.13 1rxs s ASP 2027CO 0.82 -0.12 1.78 -0.65 0.13 0.00 0.00 175.17 177.13 1rxs h PRO 2028N 7.94 0.69 0.00 4.34 0.11 -1.90 -1.37 132.00 141.80 1rxs h PRO 2028Ca -0.34 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1rxs h PRO 2028Cb 1.17 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1rxs h PRO 2028CO 0.65 0.46 0.00 -0.25 -0.21 0.00 0.00 178.00 178.65 1rxs n ASP 2029N -4.74 0.05 -0.65 -2.05 8.00 -1.26 -2.12 116.55 113.78 1rxs n ASP 2029Ca 0.23 0.51 0.12 0.00 0.71 0.00 0.00 54.79 56.36 1rxs n ASP 2029Cb 0.60 -0.52 0.13 0.00 -0.02 0.00 0.00 41.12 41.32 1rxs n ASP 2029CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1rxs n ARG 2030N -1.55 1.65 0.23 -1.24 0.63 -0.52 -4.52 116.66 111.34 1rxs n ARG 2030Ca 0.04 -1.30 -0.15 0.00 -0.92 0.00 0.00 57.85 55.52 1rxs n ARG 2030Cb 0.20 -1.47 -0.08 0.00 0.45 0.00 0.00 32.46 31.56 1rxs n ARG 2030CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1rxs h VAL 2031N 3.18 0.58 -0.84 5.15 2.07 -1.47 -2.32 116.25 122.61 1rxs h VAL 2031Ca 0.00 -0.29 0.09 0.00 0.82 0.00 0.00 66.70 67.32 1rxs h VAL 2031Cb 0.80 0.72 -0.07 0.00 -1.52 0.00 0.00 31.29 31.22 1rxs h VAL 2031CO 0.00 0.05 0.49 -0.08 0.02 0.00 0.00 177.57 178.05 1rxs h GLU 2032N -0.73 0.82 -0.41 1.57 4.81 -1.79 -1.31 114.58 117.54 1rxs h GLU 2032Ca -0.06 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1rxs h GLU 2032Cb 0.51 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 1rxs h GLU 2032CO 0.09 0.54 0.19 0.87 -0.73 0.00 0.00 179.01 179.98 1rxs h LYS 2033N 0.84 0.38 0.06 1.92 6.56 -1.77 -0.04 116.57 124.53 1rxs h LYS 2033Ca 0.39 -0.02 -0.00 0.00 -1.06 0.00 0.00 60.65 59.96 1rxs h LYS 2033Cb 0.31 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 31.89 1rxs h LYS 2033CO -0.23 0.25 -0.03 0.82 -2.06 0.00 0.00 179.45 178.20 1rxs h ILE 2034N 0.39 1.13 -0.85 1.86 2.04 -0.99 -3.13 117.51 117.97 1rxs h ILE 2034Ca 0.18 -0.68 0.17 0.00 1.00 0.00 0.00 64.86 65.52 1rxs h ILE 2034Cb 0.10 1.58 -0.10 0.00 -0.74 0.00 0.00 36.82 37.65 1rxs h ILE 2034CO -0.13 0.17 0.40 0.00 0.00 0.00 0.00 178.15 178.59 1rxs h ALA 2035N 0.52 1.30 0.00 1.87 0.00 -1.09 -1.04 119.26 120.81 1rxs h ALA 2035Ca -0.01 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1rxs h ALA 2035Cb 0.34 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1rxs h ALA 2035CO 0.01 -0.19 0.01 0.00 0.00 0.00 0.00 179.25 179.08 1rxs h ALA 2036N 1.61 1.01 -0.00 0.00 0.00 -0.94 -0.14 119.26 120.79 1rxs h ALA 2036Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1rxs h ALA 2036Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1rxs h ALA 2036CO -0.42 -0.01 -0.01 1.28 0.00 0.00 0.00 179.25 180.09 1rxs n LEU 2037N -2.79 0.03 0.00 0.00 4.77 -0.39 -4.86 117.00 113.76 1rxs n LEU 2037Ca -0.02 0.20 -0.13 0.00 -0.03 0.00 0.00 56.01 56.03 1rxs n LEU 2037Cb 0.07 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 40.93 1rxs n LEU 2037CO 0.16 0.01 -0.05 0.23 -1.33 0.00 0.00 177.39 176.41 1rxs n MET 2038N -1.20 1.31 -3.56 3.23 2.81 -0.07 -5.14 117.12 114.50 1rxs n MET 2038Ca 0.17 -1.61 -0.31 0.00 -1.81 0.00 0.00 57.70 54.13 1rxs n MET 2038Cb 0.21 0.32 -0.05 0.00 -0.71 0.00 0.00 33.22 33.00 1rxs n MET 2038CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1rxs s ASP 2039N -2.34 6.54 -1.32 7.83 -0.00 -0.06 -4.53 116.67 122.78 1rxs s ASP 2039Ca 0.06 0.72 -0.12 0.00 -0.00 0.00 0.00 52.55 53.21 1rxs s ASP 2039Cb -0.00 -2.14 0.01 0.00 -0.00 0.00 0.00 42.92 40.78 1rxs s ASP 2039CO 0.04 -0.01 0.50 0.29 -0.00 0.00 0.00 175.17 175.99 1rxs n LYS 2040N -0.07 -1.82 -2.14 8.23 5.02 -1.26 -0.10 118.16 126.02 1rxs n LYS 2040Ca -0.01 0.31 -0.41 0.00 -2.02 0.00 0.00 58.31 56.17 1rxs n LYS 2040Cb 0.52 -3.90 -0.03 0.00 -0.02 0.00 0.00 35.03 31.60 1rxs n LYS 2040CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1rxs s PRO 2041N -6.69 4.34 -0.06 1.97 0.04 -1.26 -4.43 135.00 128.90 1rxs s PRO 2041Ca 0.22 2.15 -0.03 0.00 0.04 0.00 0.00 61.00 63.38 1rxs s PRO 2041Cb -0.10 -3.17 0.04 0.00 0.04 0.00 0.00 34.50 31.31 1rxs s PRO 2041CO 0.91 -0.34 0.13 0.08 0.04 0.00 0.00 177.00 177.82 1rxs s VAL 2042N 0.20 -0.12 0.05 -0.36 1.01 0.45 -5.00 120.40 116.63 1rxs s VAL 2042Ca 0.59 0.26 -0.31 0.00 0.00 0.00 0.00 61.98 62.52 1rxs s VAL 2042Cb -0.39 -0.23 -0.06 0.00 0.00 0.00 0.00 36.38 35.71 1rxs s VAL 2042CO 0.39 0.11 1.30 -0.75 0.00 0.00 0.00 175.10 176.15 1rxs s LYS 2043N 1.58 4.35 -0.27 2.72 2.20 -1.26 -0.61 119.74 128.45 1rxs s LYS 2043Ca -0.04 1.90 -0.08 0.00 -0.36 0.00 0.00 55.97 57.38 1rxs s LYS 2043Cb -0.12 -3.39 -0.14 0.00 -1.51 0.00 0.00 37.83 32.67 1rxs s LYS 2043CO -0.05 -0.41 -0.31 1.28 -0.36 0.00 0.00 175.35 175.50 1rxs n LEU 2044N 4.41 2.31 -3.48 5.43 4.77 0.46 -4.93 117.00 125.97 1rxs n LEU 2044Ca 0.11 0.17 -0.11 0.00 -0.03 0.00 0.00 56.01 56.15 1rxs n LEU 2044Cb 0.44 -0.84 -0.03 0.00 -2.33 0.00 0.00 43.42 40.66 1rxs n LEU 2044CO 0.57 0.70 0.57 0.00 -1.33 0.00 0.00 177.39 177.90 1rxs s ALA 2045N -2.51 -1.75 -0.23 -1.18 0.00 -1.08 -5.01 121.76 110.00 1rxs s ALA 2045Ca -0.37 0.90 -0.03 0.00 0.00 0.00 0.00 51.96 52.46 1rxs s ALA 2045Cb 0.13 0.45 0.12 0.00 0.00 0.00 0.00 23.12 23.82 1rxs s ALA 2045CO 0.52 -0.66 0.34 0.45 0.00 0.00 0.00 175.76 176.42 1rxs s SER 2046N -2.35 0.49 -0.06 0.00 0.15 -1.26 -0.74 113.70 109.94 1rxs s SER 2046Ca 0.02 0.15 -0.03 0.00 0.70 0.00 0.00 55.95 56.79 1rxs s SER 2046Cb -0.01 0.94 0.03 0.00 -1.71 0.00 0.00 66.02 65.28 1rxs s SER 2046CO -0.08 -0.30 0.14 -1.00 1.20 0.00 0.00 173.24 173.20 1rxs s HIS 2047N 2.49 -0.16 0.00 3.44 3.76 -0.37 -5.01 115.29 119.45 1rxs s HIS 2047Ca 0.11 0.46 0.00 0.00 -0.15 0.00 0.00 55.06 55.47 1rxs s HIS 2047Cb -0.15 -0.07 0.00 0.00 1.11 0.00 0.00 32.58 33.47 1rxs s HIS 2047CO -0.15 -0.15 0.00 0.54 -0.85 0.00 0.00 174.74 174.13 1rxs n ARG 2048N 4.04 0.00 -0.10 1.40 1.74 -1.26 -0.19 116.66 122.29 1rxs n ARG 2048Ca -0.25 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 56.92 1rxs n ARG 2048Cb 0.53 0.00 0.31 0.00 -1.02 0.00 0.00 32.46 32.28 1rxs n ARG 2048CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1rxs n GLU 2049N 14.00 1.68 -3.44 5.56 0.00 -1.26 -4.79 120.64 132.38 1rxs n GLU 2049Ca 0.00 -1.03 -0.43 0.00 0.00 0.00 0.00 57.16 55.70 1rxs n GLU 2049Cb 0.00 -1.34 -0.08 0.00 0.00 0.00 0.00 31.44 30.02 1rxs n GLU 2049CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1rxs s PHE 2050N -1.74 3.28 -0.15 -1.84 0.08 0.73 -4.02 117.98 114.32 1rxs s PHE 2050Ca 0.28 -1.19 -0.02 0.00 0.12 0.00 0.00 56.93 56.13 1rxs s PHE 2050Cb 0.15 -3.23 -0.02 0.00 -0.57 0.00 0.00 43.02 39.35 1rxs s PHE 2050CO 0.22 -0.85 -0.09 0.99 -0.10 0.00 0.00 175.22 175.38 1rxs s THR 2051N 1.56 3.30 -0.12 0.64 2.01 -1.26 -1.23 115.64 120.54 1rxs s THR 2051Ca 0.04 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 61.50 1rxs s THR 2051Cb -0.25 -2.42 0.01 0.00 0.01 0.00 0.00 72.50 69.85 1rxs s THR 2051CO 0.04 0.50 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.40 1rxs s THR 2052N 0.54 1.77 0.20 -0.82 2.01 0.08 -1.70 115.64 117.72 1rxs s THR 2052Ca -0.06 -0.81 0.10 0.00 0.31 0.00 0.00 61.69 61.23 1rxs s THR 2052Cb -0.15 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 1rxs s THR 2052CO 0.03 0.49 -0.13 0.26 -0.69 0.00 0.00 174.62 174.59 1rxs s TRP 2053N 0.90 2.53 0.00 4.92 0.52 0.62 -0.41 118.94 128.03 1rxs s TRP 2053Ca -0.07 -0.26 0.06 0.00 0.02 0.00 0.00 56.10 55.85 1rxs s TRP 2053Cb -0.15 -1.22 -0.03 0.00 -1.15 0.00 0.00 33.47 30.92 1rxs s TRP 2053CO -0.02 0.54 -0.19 0.50 0.02 0.00 0.00 176.95 177.80 1rxs s ARG 2054N -2.94 2.17 0.15 4.98 3.52 0.23 -0.30 118.95 126.75 1rxs s ARG 2054Ca 0.25 -0.90 0.02 0.00 -0.13 0.00 0.00 55.73 54.97 1rxs s ARG 2054Cb -0.08 -2.19 -0.01 0.00 -1.56 0.00 0.00 34.95 31.11 1rxs s ARG 2054CO 0.14 0.56 0.15 0.00 -0.81 0.00 0.00 175.30 175.35 1rxs n ALA 2055N 1.95 0.21 -2.50 6.12 0.00 -0.21 -0.41 120.51 125.67 1rxs n ALA 2055Ca -0.16 -0.83 -0.26 0.00 0.00 0.00 0.00 53.44 52.18 1rxs n ALA 2055Cb 0.52 0.67 -0.15 0.00 0.00 0.00 0.00 19.45 20.49 1rxs n ALA 2055CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1rxs s GLU 2056N -2.55 1.53 -0.10 0.00 2.12 0.85 -0.59 118.70 119.98 1rxs s GLU 2056Ca 0.17 -0.66 -0.02 0.00 0.36 0.00 0.00 54.97 54.82 1rxs s GLU 2056Cb 0.01 -1.47 0.03 0.00 0.26 0.00 0.00 34.13 32.96 1rxs s GLU 2056CO 0.12 0.39 0.00 -1.17 -0.54 0.00 0.00 175.26 174.06 1rxs s LEU 2057N -0.41 0.77 -1.55 2.70 2.96 0.12 -0.89 118.68 122.38 1rxs s LEU 2057Ca 0.06 -0.26 -0.09 0.00 -0.22 0.00 0.00 54.13 53.62 1rxs s LEU 2057Cb -0.07 -0.51 0.08 0.00 0.50 0.00 0.00 46.19 46.18 1rxs s LEU 2057CO -0.01 -0.21 0.63 0.47 -1.32 0.00 0.00 176.35 175.91 1rxs n ASP 2058N 5.11 -2.02 0.00 3.68 8.00 -1.26 -0.99 116.55 129.07 1rxs n ASP 2058Ca -0.08 -0.99 0.00 0.00 0.71 0.00 0.00 54.79 54.43 1rxs n ASP 2058Cb 0.49 -2.98 0.00 0.00 -0.02 0.00 0.00 41.12 38.62 1rxs n ASP 2058CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rxs n GLY 2059N -1.71 0.36 3.45 0.44 0.00 -1.26 -5.03 105.19 101.44 1rxs n GLY 2059Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 1rxs n GLY 2059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rxs s LYS 2060N -0.59 2.80 0.29 1.61 -0.14 -0.16 -5.08 119.74 118.47 1rxs s LYS 2060Ca 0.00 -0.68 -0.29 0.00 -1.36 0.00 0.00 55.97 53.64 1rxs s LYS 2060Cb 0.00 -2.48 -0.10 0.00 -1.68 0.00 0.00 37.83 33.57 1rxs s LYS 2060CO 0.00 0.50 1.30 -1.25 -0.76 0.00 0.00 175.35 175.14 1rxs s PRO 2061N -0.39 4.38 0.00 -1.68 0.04 -1.26 0.13 135.00 136.22 1rxs s PRO 2061Ca 0.04 2.15 0.01 0.00 0.04 0.00 0.00 61.00 63.24 1rxs s PRO 2061Cb -0.12 -3.11 -0.00 0.00 0.04 0.00 0.00 34.50 31.30 1rxs s PRO 2061CO 0.02 -0.18 -0.03 0.08 0.04 0.00 0.00 177.00 176.93 1rxs s VAL 2062N -0.75 0.24 -0.11 -0.36 1.01 0.25 -4.37 120.40 116.30 1rxs s VAL 2062Ca 0.51 -0.23 -0.07 0.00 0.00 0.00 0.00 61.98 62.20 1rxs s VAL 2062Cb -0.38 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 1rxs s VAL 2062CO 0.47 0.00 0.14 -0.63 0.00 0.00 0.00 175.10 175.09 1rxs s ILE 2063N -0.23 5.46 -0.17 2.22 -1.09 -0.68 -1.05 121.20 125.66 1rxs s ILE 2063Ca -0.01 0.18 0.01 0.00 -2.23 0.00 0.00 60.65 58.60 1rxs s ILE 2063Cb -0.02 -3.38 0.02 0.00 -1.58 0.00 0.00 42.46 37.49 1rxs s ILE 2063CO -0.00 0.61 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.43 1rxs s VAL 2064N -1.04 2.13 -0.04 2.92 1.01 0.59 -0.76 120.40 125.21 1rxs s VAL 2064Ca 0.15 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 1rxs s VAL 2064Cb -0.12 -1.89 0.03 0.00 0.00 0.00 0.00 36.38 34.41 1rxs s VAL 2064CO 0.05 0.54 0.06 0.00 0.00 0.00 0.00 175.10 175.75 1rxs s SER 2066N 1.61 7.07 -0.01 0.00 1.04 -0.69 -3.52 113.70 119.20 1rxs s SER 2066Ca -0.03 1.69 0.22 0.00 0.48 0.00 0.00 55.95 58.31 1rxs s SER 2066Cb -0.12 -2.53 -0.28 0.00 0.10 0.00 0.00 66.02 63.18 1rxs s SER 2066CO -0.04 -0.23 0.63 0.35 0.98 0.00 0.00 173.24 174.94 1rxs n THR 2067N -0.14 0.03 -3.70 2.02 -2.24 -0.29 -4.38 114.28 105.57 1rxs n THR 2067Ca 0.04 -0.36 0.01 0.00 -2.27 0.00 0.00 64.05 61.47 1rxs n THR 2067Cb 0.52 0.26 -0.00 0.00 -2.10 0.00 0.00 70.33 69.01 1rxs n THR 2067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rxs n GLY 2068N 1.33 -1.86 3.69 3.38 0.00 0.02 -3.26 105.19 108.49 1rxs n GLY 2068Ca -0.02 -1.33 -0.39 0.00 0.00 0.00 0.00 46.02 44.28 1rxs n GLY 2068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rxs s ILE 2069N -0.19 5.13 0.00 -0.61 1.01 -1.26 -4.67 121.20 120.61 1rxs s ILE 2069Ca 0.00 1.01 0.00 0.00 0.00 0.00 0.00 60.65 61.66 1rxs s ILE 2069Cb 0.00 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.62 1rxs s ILE 2069CO 0.00 0.25 0.00 0.61 0.00 0.00 0.00 174.94 175.80 1rxs n GLY 2070N 3.53 2.51 0.34 6.18 0.00 -1.26 -4.64 105.19 111.85 1rxs n GLY 2070Ca -0.05 -1.80 -0.03 0.00 0.00 0.00 0.00 46.02 44.14 1rxs n GLY 2070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1rxs h GLY 2071N 0.00 0.03 0.40 -0.02 0.00 -1.87 -2.25 103.07 99.36 1rxs h GLY 2071Ca 0.00 0.43 0.02 0.00 0.00 0.00 0.00 47.33 47.78 1rxs h GLY 2071CO 0.00 -0.22 -0.32 -2.55 0.00 0.00 0.00 176.54 173.45 1rxs h PRO 2072N -0.11 -0.51 -0.27 4.80 0.11 -1.95 0.21 132.00 134.29 1rxs h PRO 2072Ca 0.28 0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.31 1rxs h PRO 2072Cb 0.56 0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.78 1rxs h PRO 2072CO -0.76 -0.34 -0.30 0.66 -0.21 0.00 0.00 178.00 177.05 1rxs h SER 2073N -0.53 0.57 -0.48 -2.05 4.64 -1.77 -2.24 113.55 111.68 1rxs h SER 2073Ca 0.04 -0.21 0.08 0.00 -0.47 0.00 0.00 61.79 61.23 1rxs h SER 2073Cb 0.57 -0.16 -0.07 0.00 -0.31 0.00 0.00 62.40 62.44 1rxs h SER 2073CO -0.21 0.84 0.07 0.74 -0.87 0.00 0.00 176.83 177.40 1rxs h THR 2074N 0.48 0.71 -0.74 2.95 2.02 -1.00 -1.24 112.91 116.08 1rxs h THR 2074Ca 0.06 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1rxs h THR 2074Cb 0.76 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 1rxs h THR 2074CO 0.06 0.04 0.40 0.77 0.37 0.00 0.00 175.52 177.16 1rxs h SER 2075N 0.20 0.91 0.24 4.18 4.64 -0.03 0.26 113.55 123.95 1rxs h SER 2075Ca 0.24 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.47 1rxs h SER 2075Cb 0.33 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1rxs h SER 2075CO -0.33 0.74 -0.11 0.40 -0.87 0.00 0.00 176.83 176.65 1rxs h ILE 2076N 1.03 0.80 -0.09 0.95 2.04 -0.93 -1.41 117.51 119.90 1rxs h ILE 2076Ca 0.26 -0.19 0.02 0.00 1.00 0.00 0.00 64.86 65.96 1rxs h ILE 2076Cb 0.02 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 1rxs h ILE 2076CO -0.04 0.04 -0.06 0.00 0.00 0.00 0.00 178.15 178.09 1rxs h ALA 2077N 0.33 0.01 -0.30 1.87 0.00 -0.64 -1.35 119.26 119.18 1rxs h ALA 2077Ca -0.03 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1rxs h ALA 2077Cb 0.31 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1rxs h ALA 2077CO 0.05 -0.53 0.13 0.28 0.00 0.00 0.00 179.25 179.19 1rxs h VAL 2078N -0.07 1.16 -0.19 0.00 2.07 -1.00 -0.30 116.25 117.92 1rxs h VAL 2078Ca 0.06 -0.48 0.03 0.00 0.82 0.00 0.00 66.70 67.13 1rxs h VAL 2078Cb 0.15 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1rxs h VAL 2078CO -0.13 0.17 0.01 -0.08 0.02 0.00 0.00 177.57 177.56 1rxs h GLU 2079N 0.34 0.08 -0.01 1.57 4.57 -1.02 0.38 114.58 120.48 1rxs h GLU 2079Ca 0.10 -0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.11 1rxs h GLU 2079Cb 0.14 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 1rxs h GLU 2079CO -0.01 0.05 -0.77 0.93 -1.18 0.00 0.00 179.01 178.03 1rxs h GLU 2080N 0.08 0.13 -0.51 1.92 5.08 -1.06 -1.01 114.58 119.20 1rxs h GLU 2080Ca 0.09 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 1rxs h GLU 2080Cb 0.10 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1rxs h GLU 2080CO -0.14 0.83 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.57 1rxs h LEU 2081N 0.08 0.91 -0.71 1.33 3.38 -0.85 -2.08 115.31 117.36 1rxs h LEU 2081Ca -0.02 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 1rxs h LEU 2081Cb 1.35 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 1rxs h LEU 2081CO 0.11 1.00 0.28 0.00 0.09 0.00 0.00 178.44 179.93 1rxs h ALA 2082N 1.08 0.93 -0.60 1.53 0.00 -0.43 -0.82 119.26 120.95 1rxs h ALA 2082Ca 0.14 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1rxs h ALA 2082Cb 0.58 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1rxs h ALA 2082CO 0.04 0.55 0.40 1.96 0.00 0.00 0.00 179.25 182.20 1rxs h GLN 2083N 1.02 0.71 0.00 0.00 4.20 -0.92 -1.37 115.11 118.76 1rxs h GLN 2083Ca 0.24 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1rxs h GLN 2083Cb 0.21 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1rxs h GLN 2083CO -0.02 0.47 -0.00 1.28 -0.67 0.00 0.00 178.83 179.89 1rxs n LEU 2084N -4.46 0.59 0.00 1.46 4.32 -0.72 -4.90 117.00 113.30 1rxs n LEU 2084Ca 0.07 0.55 0.00 0.00 -0.02 0.00 0.00 56.01 56.61 1rxs n LEU 2084Cb 0.11 -0.37 0.00 0.00 -1.62 0.00 0.00 43.42 41.54 1rxs n LEU 2084CO 0.35 -0.13 0.00 0.61 -1.22 0.00 0.00 177.39 177.00 1rxs n GLY 2085N 1.36 0.89 3.75 -0.72 0.00 -0.51 -4.78 105.19 105.18 1rxs n GLY 2085Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1rxs n GLY 2085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rxs s ILE 2086N -1.83 2.93 0.00 -0.61 -1.09 -0.39 -4.46 121.20 115.75 1rxs s ILE 2086Ca 0.00 0.83 0.00 0.00 -2.23 0.00 0.00 60.65 59.25 1rxs s ILE 2086Cb 0.00 -3.53 0.00 0.00 -1.58 0.00 0.00 42.46 37.35 1rxs s ILE 2086CO 0.00 0.15 0.00 0.54 -1.23 0.00 0.00 174.94 174.40 1rxs n ARG 2087N 1.88 4.44 -4.24 2.79 5.12 0.12 -4.29 116.66 122.49 1rxs n ARG 2087Ca 0.04 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.75 1rxs n ARG 2087Cb 0.42 -0.42 -0.16 0.00 -1.16 0.00 0.00 32.46 31.14 1rxs n ARG 2087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1rxs s THR 2088N -0.80 0.65 -0.14 0.55 2.01 -0.88 -1.18 115.64 115.86 1rxs s THR 2088Ca 0.00 -0.19 0.01 0.00 0.31 0.00 0.00 61.69 61.82 1rxs s THR 2088Cb 0.00 -0.65 0.02 0.00 0.01 0.00 0.00 72.50 71.88 1rxs s THR 2088CO 0.00 0.25 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.67 1rxs s PHE 2089N 0.88 2.13 -0.27 4.92 0.08 0.85 -0.77 117.98 125.80 1rxs s PHE 2089Ca -0.12 -1.14 -0.03 0.00 0.12 0.00 0.00 56.93 55.77 1rxs s PHE 2089Cb -0.15 -1.55 0.03 0.00 -0.57 0.00 0.00 43.02 40.78 1rxs s PHE 2089CO 0.01 -0.61 -0.02 -0.51 -0.10 0.00 0.00 175.22 173.99 1rxs s LEU 2090N 1.30 3.46 -0.03 -0.37 1.43 0.05 -1.11 118.68 123.42 1rxs s LEU 2090Ca 0.01 -0.89 -0.20 0.00 -1.03 0.00 0.00 54.13 52.02 1rxs s LEU 2090Cb -0.14 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.31 1rxs s LEU 2090CO -0.08 -0.16 0.56 -0.60 0.23 0.00 0.00 176.35 176.30 1rxs s ARG 2091N 1.36 4.29 -0.15 1.70 3.52 -0.28 0.07 118.95 129.45 1rxs s ARG 2091Ca -0.00 0.66 0.00 0.00 -0.13 0.00 0.00 55.73 56.26 1rxs s ARG 2091Cb -0.17 -3.35 0.02 0.00 -1.56 0.00 0.00 34.95 29.89 1rxs s ARG 2091CO -0.02 0.35 -0.13 -1.50 -0.81 0.00 0.00 175.30 173.19 1rxs s ILE 2092N -0.10 1.55 0.37 4.11 -1.16 -1.20 -1.26 121.20 123.51 1rxs s ILE 2092Ca 0.30 -0.65 0.05 0.00 -0.51 0.00 0.00 60.65 59.83 1rxs s ILE 2092Cb -0.17 -1.48 -0.03 0.00 0.61 0.00 0.00 42.46 41.39 1rxs s ILE 2092CO 0.16 0.42 0.18 -0.83 -2.81 0.00 0.00 174.94 172.06 1rxs s GLY 2093N 1.49 2.47 0.12 1.50 0.00 -0.44 -3.91 107.32 108.55 1rxs s GLY 2093Ca 0.04 -1.55 0.05 0.00 0.00 0.00 0.00 44.72 43.26 1rxs s GLY 2093CO -0.10 -1.68 0.07 -0.51 0.00 0.00 0.00 173.10 170.88 1rxs s THR 2094N -3.33 4.32 0.08 0.90 -4.23 -1.26 -1.38 115.64 110.74 1rxs s THR 2094Ca 0.30 -1.00 -0.12 0.00 -1.18 0.00 0.00 61.69 59.69 1rxs s THR 2094Cb 0.03 -3.13 0.01 0.00 1.34 0.00 0.00 72.50 70.75 1rxs s THR 2094CO 0.19 0.01 0.28 0.28 -0.54 0.00 0.00 174.62 174.84 1rxs s THR 2095N -1.54 0.10 -0.26 3.99 -1.32 -0.50 -4.87 115.64 111.24 1rxs s THR 2095Ca 0.29 -0.85 -0.09 0.00 -1.21 0.00 0.00 61.69 59.83 1rxs s THR 2095Cb -0.11 -1.14 -0.04 0.00 -1.51 0.00 0.00 72.50 69.71 1rxs s THR 2095CO 0.21 -0.47 0.11 -0.83 -2.21 0.00 0.00 174.62 171.44 1rxs s GLY 2096N -2.53 1.83 0.40 6.08 0.00 -1.08 -1.01 107.32 111.01 1rxs s GLY 2096Ca 0.01 -1.11 -0.24 0.00 0.00 0.00 0.00 44.72 43.38 1rxs s GLY 2096CO -0.08 0.57 1.03 0.00 0.00 0.00 0.00 173.10 174.62 1rxs s ALA 2097N 1.64 3.08 -0.20 3.20 0.00 -0.08 -0.88 121.76 128.51 1rxs s ALA 2097Ca 0.07 0.66 0.02 0.00 0.00 0.00 0.00 51.96 52.70 1rxs s ALA 2097Cb -0.15 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 19.74 1rxs s ALA 2097CO 0.06 -0.15 0.71 0.44 0.00 0.00 0.00 175.76 176.82 1rxs n ILE 2098N -0.10 0.32 -4.01 0.00 -5.35 0.58 -0.14 119.36 110.66 1rxs n ILE 2098Ca 0.05 -0.66 -0.36 0.00 -0.27 0.00 0.00 62.75 61.51 1rxs n ILE 2098Cb 0.50 0.87 -0.08 0.00 -1.74 0.00 0.00 39.64 39.19 1rxs n ILE 2098CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1rxs s GLN 2099N -0.42 3.47 0.60 6.28 -1.52 -1.23 -4.73 119.66 122.10 1rxs s GLN 2099Ca 0.03 -0.24 0.38 0.00 -1.95 0.00 0.00 55.36 53.57 1rxs s GLN 2099Cb 0.02 -3.11 1.86 0.00 -0.22 0.00 0.00 33.01 31.55 1rxs s GLN 2099CO 0.02 0.65 2.17 -1.00 -0.25 0.00 0.00 175.29 176.88 1rxs h PRO 2100N 5.42 0.00 -0.01 2.91 0.13 -1.96 -2.76 132.00 135.72 1rxs h PRO 2100Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1rxs h PRO 2100Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1rxs h PRO 2100CO 0.60 0.02 -0.22 -2.39 -0.23 0.00 0.00 178.00 175.78 1rxs n HIS 2101N -3.17 0.00 -3.37 1.56 1.44 -1.26 -4.84 115.22 105.57 1rxs n HIS 2101Ca -0.01 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.32 1rxs n HIS 2101Cb 0.19 -0.07 -0.07 0.00 0.12 0.00 0.00 29.99 30.16 1rxs n HIS 2101CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1rxs s ILE 2102N -2.35 5.19 0.12 0.61 1.01 -1.04 -5.07 121.20 119.67 1rxs s ILE 2102Ca 0.27 0.75 0.02 0.00 0.00 0.00 0.00 60.65 61.69 1rxs s ILE 2102Cb 0.19 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 1rxs s ILE 2102CO 0.47 0.26 0.21 0.20 0.00 0.00 0.00 174.94 176.07 1rxs s ASN 2103N 0.99 6.06 0.13 3.58 0.01 -1.26 -4.88 114.94 119.58 1rxs s ASN 2103Ca 0.20 0.11 -0.34 0.00 -0.71 0.00 0.00 52.86 52.12 1rxs s ASN 2103Cb -0.15 -1.77 -0.14 0.00 0.41 0.00 0.00 41.25 39.61 1rxs s ASN 2103CO 0.08 0.10 1.60 0.52 -1.51 0.00 0.00 177.10 177.89 1rxs n VAL 2104N -0.15 0.07 0.00 1.60 0.31 -1.26 -1.08 118.33 117.82 1rxs n VAL 2104Ca -0.07 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1rxs n VAL 2104Cb 0.53 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.92 1rxs n VAL 2104CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rxs n GLY 2105N 3.49 2.94 3.74 2.92 0.00 0.18 -4.99 105.19 113.46 1rxs n GLY 2105Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1rxs n GLY 2105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rxs s ASP 2106N -1.30 4.43 -0.17 1.61 1.11 -0.24 -4.68 116.67 117.42 1rxs s ASP 2106Ca 0.00 2.07 -0.04 0.00 0.18 0.00 0.00 52.55 54.75 1rxs s ASP 2106Cb 0.00 -2.56 -0.03 0.00 1.07 0.00 0.00 42.92 41.41 1rxs s ASP 2106CO 0.00 -2.09 -0.02 -0.69 1.18 0.00 0.00 175.17 173.55 1rxs s VAL 2107N -2.44 3.98 -0.17 -1.27 1.01 -0.68 -1.11 120.40 119.72 1rxs s VAL 2107Ca 0.67 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 62.32 1rxs s VAL 2107Cb -0.22 -2.77 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 1rxs s VAL 2107CO 0.48 0.47 -0.09 -0.76 0.00 0.00 0.00 175.10 175.20 1rxs s LEU 2108N 0.59 2.77 -0.24 3.92 1.43 0.37 -0.97 118.68 126.55 1rxs s LEU 2108Ca -0.02 -0.37 -0.07 0.00 -1.03 0.00 0.00 54.13 52.65 1rxs s LEU 2108Cb -0.14 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 1rxs s LEU 2108CO 0.02 0.08 0.05 -0.69 0.23 0.00 0.00 176.35 176.04 1rxs s VAL 2109N 0.90 4.25 -0.15 -1.59 1.01 -0.19 -1.01 120.40 123.62 1rxs s VAL 2109Ca -0.02 -0.20 -0.25 0.00 0.00 0.00 0.00 61.98 61.51 1rxs s VAL 2109Cb -0.15 -2.97 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 1rxs s VAL 2109CO 0.00 0.36 0.81 -0.89 0.00 0.00 0.00 175.10 175.38 1rxs s THR 2110N 1.44 4.91 -0.02 3.92 2.01 -0.70 -1.73 115.64 125.48 1rxs s THR 2110Ca 0.05 1.60 -0.04 0.00 0.31 0.00 0.00 61.69 63.61 1rxs s THR 2110Cb -0.15 -4.12 -0.28 0.00 0.01 0.00 0.00 72.50 67.96 1rxs s THR 2110CO 0.03 0.07 0.77 0.71 -0.69 0.00 0.00 174.62 175.52 1rxs h THR 2111N 5.10 1.05 -2.62 -0.82 1.35 -1.19 -3.41 112.91 112.38 1rxs h THR 2111Ca -0.32 -2.70 0.08 0.00 -0.55 0.00 0.00 66.41 62.93 1rxs h THR 2111Cb 1.15 2.73 -0.11 0.00 -1.73 0.00 0.00 68.15 70.18 1rxs h THR 2111CO 0.82 0.82 0.37 0.00 -0.25 0.00 0.00 175.52 177.27 1rxs s ALA 2112N -2.60 -1.63 0.07 6.62 0.00 -1.26 -0.83 121.76 122.13 1rxs s ALA 2112Ca -0.11 0.47 0.09 0.00 0.00 0.00 0.00 51.96 52.41 1rxs s ALA 2112Cb 0.07 0.67 -0.03 0.00 0.00 0.00 0.00 23.12 23.82 1rxs s ALA 2112CO 0.85 -0.84 -0.25 -1.12 0.00 0.00 0.00 175.76 174.40 1rxs s SER 2113N -2.73 3.01 -0.01 0.00 0.01 0.07 -2.12 113.70 111.93 1rxs s SER 2113Ca 0.06 -0.62 -0.30 0.00 1.31 0.00 0.00 55.95 56.40 1rxs s SER 2113Cb -0.02 -0.24 -0.05 0.00 0.21 0.00 0.00 66.02 65.92 1rxs s SER 2113CO -0.05 0.20 1.28 -0.69 0.41 0.00 0.00 173.24 174.39 1rxs s VAL 2114N -0.89 3.99 -1.11 3.43 1.01 0.12 -4.34 120.40 122.60 1rxs s VAL 2114Ca 0.11 1.36 -0.17 0.00 0.00 0.00 0.00 61.98 63.27 1rxs s VAL 2114Cb -0.10 -3.87 0.13 0.00 0.00 0.00 0.00 36.38 32.54 1rxs s VAL 2114CO 0.03 0.01 1.39 -0.13 0.00 0.00 0.00 175.10 176.40 1rxs s ARG 2115N 2.11 3.85 -0.51 2.72 0.52 -1.26 -1.88 118.95 124.50 1rxs s ARG 2115Ca 0.60 -2.04 0.02 0.00 -0.52 0.00 0.00 55.73 53.79 1rxs s ARG 2115Cb -0.28 -5.13 0.56 0.00 0.52 0.00 0.00 34.95 30.62 1rxs s ARG 2115CO 0.25 -1.91 1.88 1.28 0.02 0.00 0.00 175.30 176.83 1rxs n LEU 2116N 6.80 6.75 -4.64 2.53 4.77 -0.10 -4.96 117.00 128.16 1rxs n LEU 2116Ca 0.34 -3.93 -0.29 0.00 -0.03 0.00 0.00 56.01 52.10 1rxs n LEU 2116Cb 0.46 -0.85 -0.09 0.00 -2.33 0.00 0.00 43.42 40.62 1rxs n LEU 2116CO 0.61 1.28 -0.26 1.51 -1.33 0.00 0.00 177.39 179.20 1rxs s ASP 2117N -1.73 3.59 -0.20 -1.43 3.84 -1.23 -1.77 116.67 117.75 1rxs s ASP 2117Ca 0.58 -1.54 0.07 0.00 -0.00 0.00 0.00 52.55 51.67 1rxs s ASP 2117Cb 0.48 0.17 -0.17 0.00 -1.38 0.00 0.00 42.92 42.02 1rxs s ASP 2117CO 0.05 -0.71 -0.08 0.61 -0.00 0.00 0.00 175.17 175.03 1rxs n GLY 2118N -1.04 -0.53 0.26 2.12 0.00 -1.26 -4.62 105.19 100.12 1rxs n GLY 2118Ca -0.11 -0.20 0.01 0.00 0.00 0.00 0.00 46.02 45.72 1rxs n GLY 2118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxs h ALA 2119N 0.36 1.40 -0.23 4.61 0.00 -1.98 -2.42 119.26 121.00 1rxs h ALA 2119Ca -0.47 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.20 1rxs h ALA 2119Cb 1.87 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 1rxs h ALA 2119CO -0.03 0.42 0.02 0.66 0.00 0.00 0.00 179.25 180.31 1rxs h SER 2120N 0.41 0.30 0.27 0.00 4.64 -1.85 0.86 113.55 118.17 1rxs h SER 2120Ca 0.09 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1rxs h SER 2120Cb 0.36 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1rxs h SER 2120CO 0.02 0.34 0.00 -0.07 -0.87 0.00 0.00 176.83 176.25 1rxs h LEU 2121N 0.33 0.00 -0.04 5.97 3.38 -1.54 -0.95 115.31 122.46 1rxs h LEU 2121Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1rxs h LEU 2121Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1rxs h LEU 2121CO 0.00 0.00 -0.03 1.41 0.09 0.00 0.00 178.44 179.91 1rxs n HIS 2122N -2.65 0.00 -0.02 1.13 8.25 0.30 -4.00 115.22 118.23 1rxs n HIS 2122Ca -0.01 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.43 1rxs n HIS 2122Cb 0.12 -0.30 -0.02 0.00 1.12 0.00 0.00 29.99 30.90 1rxs n HIS 2122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1rxs n PHE 2123N -1.28 0.00 -3.74 4.41 3.72 -0.42 -5.07 117.46 115.08 1rxs n PHE 2123Ca 0.13 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.39 1rxs n PHE 2123Cb 0.27 -0.15 -0.09 0.00 -0.94 0.00 0.00 39.48 38.57 1rxs n PHE 2123CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1rxs s ALA 2124N -2.07 -0.90 1.07 4.37 0.00 -0.82 -5.02 121.76 118.39 1rxs s ALA 2124Ca -0.04 0.63 -0.12 0.00 0.00 0.00 0.00 51.96 52.43 1rxs s ALA 2124Cb 0.01 -0.15 0.23 0.00 0.00 0.00 0.00 23.12 23.22 1rxs s ALA 2124CO 0.10 -0.24 1.06 -1.25 0.00 0.00 0.00 175.76 175.43 1rxs s PRO 2125N -0.85 -0.16 0.47 0.00 0.04 -1.26 -3.89 135.00 129.36 1rxs s PRO 2125Ca -0.09 0.86 0.17 0.00 0.04 0.00 0.00 61.00 61.97 1rxs s PRO 2125Cb -0.04 -1.64 1.13 0.00 0.04 0.00 0.00 34.50 33.99 1rxs s PRO 2125CO 0.03 -3.22 2.04 1.25 0.04 0.00 0.00 177.00 177.14 1rxs h LEU 2126N -2.26 0.00 -1.14 -3.56 5.85 -1.93 -1.91 115.31 110.35 1rxs h LEU 2126Ca -0.56 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.16 1rxs h LEU 2126Cb 1.32 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.35 1rxs h LEU 2126CO 0.51 0.14 0.00 1.05 -0.34 0.00 0.00 178.44 179.80 1rxs h GLU 2127N 0.00 0.00 -6.49 1.25 9.09 -2.03 -3.43 114.58 112.97 1rxs h GLU 2127Ca -0.00 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 58.88 1rxs h GLU 2127Cb 0.25 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.33 1rxs h GLU 2127CO 0.02 0.00 0.37 0.12 0.05 0.00 0.00 179.01 179.56 1rxs s PHE 2128N -3.49 3.74 0.08 2.06 5.36 -0.72 -4.99 117.98 120.02 1rxs s PHE 2128Ca 0.02 1.75 -0.30 0.00 -0.96 0.00 0.00 56.93 57.44 1rxs s PHE 2128Cb 0.09 -3.09 -0.06 0.00 -0.34 0.00 0.00 43.02 39.62 1rxs s PHE 2128CO 0.40 0.10 1.19 -1.25 -1.46 0.00 0.00 175.22 174.20 1rxs s PRO 2129N 0.48 4.46 -1.29 10.12 0.04 -1.26 -4.92 135.00 142.63 1rxs s PRO 2129Ca 0.49 1.77 -0.14 0.00 0.04 0.00 0.00 61.00 63.16 1rxs s PRO 2129Cb -0.22 -3.33 -0.04 0.00 0.04 0.00 0.00 34.50 30.95 1rxs s PRO 2129CO 0.29 -0.20 2.30 0.00 0.04 0.00 0.00 177.00 179.43 1rxs n ALA 2130N 3.63 5.39 -2.73 8.56 0.00 -1.26 -4.77 120.51 129.32 1rxs n ALA 2130Ca 0.08 -3.49 -0.37 0.00 0.00 0.00 0.00 53.44 49.66 1rxs n ALA 2130Cb 0.46 -3.47 -0.07 0.00 0.00 0.00 0.00 19.45 16.37 1rxs n ALA 2130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rxs s VAL 2131N 3.41 5.33 0.61 0.00 0.11 -1.26 -0.75 120.40 127.84 1rxs s VAL 2131Ca 0.53 0.44 -0.14 0.00 -2.93 0.00 0.00 61.98 59.88 1rxs s VAL 2131Cb 0.15 -3.55 -0.03 0.00 -1.53 0.00 0.00 36.38 31.41 1rxs s VAL 2131CO -0.03 0.50 1.04 0.00 -3.33 0.00 0.00 175.10 173.28 1rxs s ALA 2132N -0.30 2.81 0.28 1.54 0.00 -0.01 -4.66 121.76 121.42 1rxs s ALA 2132Ca 0.16 0.24 -0.29 0.00 0.00 0.00 0.00 51.96 52.07 1rxs s ALA 2132Cb -0.13 -3.19 -0.10 0.00 0.00 0.00 0.00 23.12 19.70 1rxs s ALA 2132CO 0.05 -0.80 1.36 0.34 0.00 0.00 0.00 175.76 176.71 1rxs s ASP 2133N -3.19 6.74 0.21 0.00 -1.08 0.57 -4.92 116.67 115.01 1rxs s ASP 2133Ca 0.61 2.65 -0.07 0.00 -0.52 0.00 0.00 52.55 55.21 1rxs s ASP 2133Cb -0.14 -2.63 0.14 0.00 -1.46 0.00 0.00 42.92 38.83 1rxs s ASP 2133CO 0.42 -0.60 1.70 0.15 0.52 0.00 0.00 175.17 177.35 1rxs h PHE 2134N 4.25 1.12 -0.50 -5.34 3.04 -1.95 0.43 116.94 117.99 1rxs h PHE 2134Ca -0.47 -0.16 -0.06 0.00 3.98 0.00 0.00 57.97 61.26 1rxs h PHE 2134Cb 1.22 -0.30 -0.02 0.00 2.56 0.00 0.00 35.95 39.41 1rxs h PHE 2134CO 0.58 0.96 0.10 0.93 -2.02 0.00 0.00 178.31 178.86 1rxs h GLU 2135N 0.98 0.82 -0.02 1.11 5.08 -1.96 0.10 114.58 120.70 1rxs h GLU 2135Ca 0.19 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1rxs h GLU 2135Cb 0.47 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1rxs h GLU 2135CO 0.02 0.81 0.01 0.00 -1.00 0.00 0.00 179.01 178.84 1rxs h THR 2137N -0.10 0.95 -0.21 0.00 2.02 -0.85 -0.28 112.91 114.44 1rxs h THR 2137Ca 0.01 -0.17 0.02 0.00 0.77 0.00 0.00 66.41 67.03 1rxs h THR 2137Cb 0.12 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 1rxs h THR 2137CO -0.00 0.09 0.08 0.74 0.37 0.00 0.00 175.52 176.80 1rxs h THR 2138N 0.50 0.96 -0.46 3.16 2.02 -0.75 -0.15 112.91 118.20 1rxs h THR 2138Ca 0.23 -0.06 0.06 0.00 0.77 0.00 0.00 66.41 67.41 1rxs h THR 2138Cb 0.15 0.76 -0.05 0.00 -1.74 0.00 0.00 68.15 67.27 1rxs h THR 2138CO -0.17 0.03 0.17 0.00 0.37 0.00 0.00 175.52 175.93 1rxs h ALA 2139N 1.12 0.56 -0.21 6.16 0.00 -0.34 0.09 119.26 126.65 1rxs h ALA 2139Ca 0.09 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1rxs h ALA 2139Cb 0.05 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1rxs h ALA 2139CO -0.08 -0.22 0.07 -0.07 0.00 0.00 0.00 179.25 178.95 1rxs h LEU 2140N 0.35 0.29 -0.08 0.00 3.38 -0.70 0.13 115.31 118.67 1rxs h LEU 2140Ca 0.22 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1rxs h LEU 2140Cb 0.21 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1rxs h LEU 2140CO -0.22 0.41 -0.00 0.58 0.09 0.00 0.00 178.44 179.30 1rxs h VAL 2141N 0.17 0.94 -0.63 1.22 2.07 -0.80 -1.28 116.25 117.93 1rxs h VAL 2141Ca 0.07 -0.01 -0.08 0.00 0.82 0.00 0.00 66.70 67.50 1rxs h VAL 2141Cb 0.21 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1rxs h VAL 2141CO -0.00 0.00 0.07 -0.33 0.02 0.00 0.00 177.57 177.33 1rxs h GLU 2142N 0.02 1.05 -0.31 1.57 5.08 -0.89 -1.22 114.58 119.89 1rxs h GLU 2142Ca 0.04 -0.29 0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1rxs h GLU 2142Cb 0.05 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1rxs h GLU 2142CO -0.07 0.99 0.18 0.00 -1.00 0.00 0.00 179.01 179.11 1rxs h ALA 2143N 1.08 0.39 -0.83 3.43 0.00 -0.58 -2.26 119.26 120.50 1rxs h ALA 2143Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1rxs h ALA 2143Cb 0.47 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1rxs h ALA 2143CO 0.02 -0.19 0.53 0.00 0.00 0.00 0.00 179.25 179.61 1rxs h ALA 2144N 1.14 1.37 -0.76 0.00 0.00 -0.88 -2.40 119.26 117.73 1rxs h ALA 2144Ca 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1rxs h ALA 2144Cb 0.01 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.42 1rxs h ALA 2144CO -0.06 0.56 0.44 -0.22 0.00 0.00 0.00 179.25 179.97 1rxs h LYS 2145N 1.13 1.05 0.00 0.00 1.63 -0.90 -1.54 116.57 117.94 1rxs h LYS 2145Ca 0.30 -0.11 -0.12 0.00 -0.85 0.00 0.00 60.65 59.87 1rxs h LYS 2145Cb -0.09 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 31.31 1rxs h LYS 2145CO -0.06 0.76 -0.57 0.66 -3.45 0.00 0.00 179.45 176.78 1rxs h SER 2146N 1.05 0.00 -0.02 4.20 4.64 -0.95 -2.65 113.55 119.82 1rxs h SER 2146Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1rxs h SER 2146Cb -0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1rxs h SER 2146CO -0.05 0.57 -0.02 2.30 -0.87 0.00 0.00 176.83 178.77 1rxs n ILE 2147N -3.45 0.00 -1.69 0.95 -5.35 -0.96 -4.98 119.36 103.89 1rxs n ILE 2147Ca 0.00 -0.38 -0.13 0.00 -0.27 0.00 0.00 62.75 61.98 1rxs n ILE 2147Cb 0.68 1.03 -0.04 0.00 -1.74 0.00 0.00 39.64 39.57 1rxs n ILE 2147CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1rxs n GLY 2148N 1.27 0.82 3.78 3.28 0.00 -0.60 -5.00 105.19 108.74 1rxs n GLY 2148Ca 0.16 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 1rxs n GLY 2148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxs s ALA 2149N -2.54 3.02 -0.12 4.61 0.00 -1.05 -4.99 121.76 120.68 1rxs s ALA 2149Ca 0.00 0.74 -0.29 0.00 0.00 0.00 0.00 51.96 52.41 1rxs s ALA 2149Cb 0.00 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.81 1rxs s ALA 2149CO 0.00 -0.34 1.09 0.95 0.00 0.00 0.00 175.76 177.46 1rxs s THR 2150N -1.69 4.57 -0.03 0.00 -4.23 -1.26 -4.75 115.64 108.24 1rxs s THR 2150Ca 0.61 1.86 0.04 0.00 -1.18 0.00 0.00 61.69 63.02 1rxs s THR 2150Cb -0.23 -4.20 -0.00 0.00 1.34 0.00 0.00 72.50 69.41 1rxs s THR 2150CO 0.28 -0.05 -0.15 -0.89 -0.54 0.00 0.00 174.62 173.27 1rxs s THR 2151N 2.45 1.25 0.00 3.99 2.01 -1.26 -1.68 115.64 122.40 1rxs s THR 2151Ca 0.50 -0.63 0.07 0.00 0.31 0.00 0.00 61.69 61.94 1rxs s THR 2151Cb -0.20 -1.07 -0.03 0.00 0.01 0.00 0.00 72.50 71.21 1rxs s THR 2151CO 0.16 0.36 -0.21 -1.00 -0.69 0.00 0.00 174.62 173.24 1rxs s HIS 2152N -0.03 2.47 -0.13 4.92 3.76 -0.15 -4.98 115.29 121.16 1rxs s HIS 2152Ca -0.01 -0.32 0.03 0.00 -0.15 0.00 0.00 55.06 54.60 1rxs s HIS 2152Cb -0.10 -1.50 0.01 0.00 1.11 0.00 0.00 32.58 32.10 1rxs s HIS 2152CO 0.01 0.12 -0.22 0.08 -0.85 0.00 0.00 174.74 173.88 1rxs s VAL 2153N -0.76 2.07 -2.95 -0.90 1.01 -1.26 -1.02 120.40 116.59 1rxs s VAL 2153Ca 0.12 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1rxs s VAL 2153Cb -0.10 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.46 1rxs s VAL 2153CO 0.02 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.28 1rxs n GLY 2154N 3.93 -0.58 3.80 4.51 0.00 -0.70 -4.97 105.19 111.18 1rxs n GLY 2154Ca -0.20 -0.72 -0.39 0.00 0.00 0.00 0.00 46.02 44.72 1rxs n GLY 2154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rxs s VAL 2155N -3.53 4.61 -0.07 1.61 1.01 -1.26 -0.59 120.40 122.18 1rxs s VAL 2155Ca 0.00 1.36 0.06 0.00 0.00 0.00 0.00 61.98 63.39 1rxs s VAL 2155Cb 0.00 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 1rxs s VAL 2155CO 0.00 0.50 -0.25 -0.89 0.00 0.00 0.00 175.10 174.47 1rxs s THR 2156N -1.17 2.03 -0.22 3.92 2.01 -0.90 -0.55 115.64 120.77 1rxs s THR 2156Ca 0.33 -1.04 -0.24 0.00 0.31 0.00 0.00 61.69 61.04 1rxs s THR 2156Cb -0.20 -1.73 -0.01 0.00 0.01 0.00 0.00 72.50 70.57 1rxs s THR 2156CO 0.21 0.56 0.80 0.00 -0.69 0.00 0.00 174.62 175.50 1rxs s ALA 2157N -0.05 3.60 -0.30 7.40 0.00 0.15 0.12 121.76 132.67 1rxs s ALA 2157Ca -0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 51.96 51.76 1rxs s ALA 2157Cb -0.15 -3.22 0.06 0.00 0.00 0.00 0.00 23.12 19.81 1rxs s ALA 2157CO 0.05 -0.80 -0.00 0.45 0.00 0.00 0.00 175.76 175.45 1rxs s SER 2158N 1.28 4.85 -0.11 0.00 0.15 -0.79 -1.39 113.70 117.69 1rxs s SER 2158Ca 0.35 -1.36 -0.02 0.00 0.70 0.00 0.00 55.95 55.61 1rxs s SER 2158Cb -0.16 -1.69 -0.03 0.00 -1.71 0.00 0.00 66.02 62.43 1rxs s SER 2158CO 0.09 -0.27 -0.03 -0.55 1.20 0.00 0.00 173.24 173.67 1rxs s SER 2159N 1.26 4.89 0.00 5.45 0.15 0.14 -0.92 113.70 124.66 1rxs s SER 2159Ca -0.04 -0.01 0.12 0.00 0.70 0.00 0.00 55.95 56.71 1rxs s SER 2159Cb -0.20 -1.50 0.59 0.00 -1.71 0.00 0.00 66.02 63.20 1rxs s SER 2159CO -0.02 0.29 1.28 0.47 1.20 0.00 0.00 173.24 176.46 1rxs n ASP 2160N 2.72 0.00 -4.14 5.45 9.92 -0.73 -4.35 116.55 125.42 1rxs n ASP 2160Ca -0.18 0.12 -0.14 0.00 -0.53 0.00 0.00 54.79 54.07 1rxs n ASP 2160Cb 0.53 -0.29 -0.11 0.00 -0.64 0.00 0.00 41.12 40.61 1rxs n ASP 2160CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1rxs s THR 2161N -2.58 0.79 0.01 -3.53 -4.23 -1.26 -5.00 115.64 99.84 1rxs s THR 2161Ca 0.11 -1.49 0.01 0.00 -1.18 0.00 0.00 61.69 59.15 1rxs s THR 2161Cb 0.08 -1.15 -0.26 0.00 1.34 0.00 0.00 72.50 72.51 1rxs s THR 2161CO 0.18 -0.53 0.89 0.15 -0.54 0.00 0.00 174.62 174.77 1rxs h PHE 2162N 3.82 0.29 0.00 3.99 3.57 -1.97 -3.38 116.94 123.25 1rxs h PHE 2162Ca -0.37 -0.21 0.00 0.00 3.53 0.00 0.00 57.97 60.92 1rxs h PHE 2162Cb 1.19 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.92 1rxs h PHE 2162CO 0.63 1.26 0.00 0.66 -2.23 0.00 0.00 178.31 178.63 1rxs n TYR 2163N -3.36 0.00 -0.28 0.41 4.01 -1.26 -4.30 117.16 112.38 1rxs n TYR 2163Ca -0.14 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.58 1rxs n TYR 2163Cb 1.03 0.00 0.15 0.00 -0.31 0.00 0.00 39.34 40.21 1rxs n TYR 2163CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1rxs h PRO 2164N 0.00 1.13 0.00 -0.72 0.13 -1.88 -1.03 132.00 129.63 1rxs h PRO 2164Ca 0.00 -0.12 -0.01 0.00 -0.87 0.00 0.00 66.00 65.01 1rxs h PRO 2164Cb 0.00 -0.23 -0.00 0.00 0.13 0.00 0.00 31.00 30.90 1rxs h PRO 2164CO 0.00 0.81 -0.03 0.78 -0.23 0.00 0.00 178.00 179.33 1rxs h GLY 2165N 1.16 0.00 -2.01 1.56 0.00 -1.86 0.56 103.07 102.49 1rxs h GLY 2165Ca 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.61 1rxs h GLY 2165CO -0.05 0.00 0.01 -1.06 0.00 0.00 0.00 176.54 175.44 1rxs n GLN 2166N -3.25 3.23 -4.09 4.80 6.02 -0.77 -4.93 117.38 118.38 1rxs n GLN 2166Ca -0.02 -2.92 -0.30 0.00 -0.01 0.00 0.00 57.00 53.76 1rxs n GLN 2166Cb 0.19 -1.93 -0.03 0.00 1.02 0.00 0.00 30.24 29.48 1rxs n GLN 2166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1rxs n GLU 2167N -0.35 -2.96 -3.07 -1.09 2.13 0.19 -4.94 120.64 110.55 1rxs n GLU 2167Ca 0.24 0.35 -0.39 0.00 0.66 0.00 0.00 57.16 58.02 1rxs n GLU 2167Cb 0.97 -4.60 -0.05 0.00 0.27 0.00 0.00 31.44 28.02 1rxs n GLU 2167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1rxs s ARG 2168N -6.78 4.43 -0.01 5.31 0.52 -0.46 -4.99 118.95 116.96 1rxs s ARG 2168Ca 0.25 0.96 0.14 0.00 -0.52 0.00 0.00 55.73 56.55 1rxs s ARG 2168Cb -0.13 -3.33 -0.20 0.00 0.52 0.00 0.00 34.95 31.81 1rxs s ARG 2168CO 0.92 0.39 0.35 0.66 0.02 0.00 0.00 175.30 177.64 1rxs n TYR 2169N 2.48 0.00 -1.89 -0.53 4.01 -1.26 -4.47 117.16 115.49 1rxs n TYR 2169Ca -0.05 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.29 1rxs n TYR 2169Cb 0.50 -0.25 -0.02 0.00 -0.31 0.00 0.00 39.34 39.27 1rxs n TYR 2169CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1rxs n ASP 2170N -1.83 3.76 -4.10 7.72 10.43 -1.26 -4.11 116.55 127.14 1rxs n ASP 2170Ca -0.01 -2.81 -0.16 0.00 2.57 0.00 0.00 54.79 54.38 1rxs n ASP 2170Cb 0.32 -1.58 -0.10 0.00 1.84 0.00 0.00 41.12 41.61 1rxs n ASP 2170CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1rxs s THR 2171N 5.06 0.28 0.26 -3.53 -4.23 -1.26 -5.00 115.64 107.22 1rxs s THR 2171Ca 0.54 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 59.04 1rxs s THR 2171Cb 0.09 -2.54 0.24 0.00 1.34 0.00 0.00 72.50 71.63 1rxs s THR 2171CO 0.04 0.00 1.73 0.22 -0.54 0.00 0.00 174.62 176.07 1rxs h TYR 2172N 2.37 0.62 0.00 3.99 3.20 -1.99 -2.93 116.97 122.24 1rxs h TYR 2172Ca -0.35 0.04 -0.19 0.00 3.14 0.00 0.00 58.73 61.37 1rxs h TYR 2172Cb 1.25 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.33 1rxs h TYR 2172CO 0.71 0.08 -2.04 -1.13 -1.64 0.00 0.00 178.16 174.15 1rxs n SER 2173N -4.97 0.18 0.00 -2.11 3.41 -1.26 -4.99 113.62 103.88 1rxs n SER 2173Ca 0.17 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1rxs n SER 2173Cb 0.47 1.21 0.00 0.00 -0.26 0.00 0.00 64.21 65.62 1rxs n SER 2173CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rxs n GLY 2174N 1.49 0.20 3.77 5.00 0.00 -1.11 -4.99 105.19 109.54 1rxs n GLY 2174Ca -0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 1rxs n GLY 2174CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1rxs s ARG 2175N -1.18 2.67 -0.07 1.61 1.70 -1.26 -4.91 118.95 117.50 1rxs s ARG 2175Ca 0.00 -1.24 0.03 0.00 -0.47 0.00 0.00 55.73 54.05 1rxs s ARG 2175Cb 0.00 -2.40 0.01 0.00 -0.57 0.00 0.00 34.95 31.99 1rxs s ARG 2175CO 0.00 0.32 -0.15 0.08 -1.08 0.00 0.00 175.30 174.47 1rxs s VAL 2176N -2.24 1.34 0.33 4.99 1.01 -1.26 -4.93 120.40 119.64 1rxs s VAL 2176Ca 0.34 -0.61 -0.27 0.00 0.00 0.00 0.00 61.98 61.44 1rxs s VAL 2176Cb -0.07 -1.20 -0.13 0.00 0.00 0.00 0.00 36.38 34.98 1rxs s VAL 2176CO 0.24 0.40 0.91 0.55 0.00 0.00 0.00 175.10 177.20 1rxs n VAL 2177N 3.67 2.05 -0.33 2.92 3.14 -1.26 -4.55 118.33 123.96 1rxs n VAL 2177Ca -0.22 -0.50 0.07 0.00 -2.96 0.00 0.00 64.34 60.74 1rxs n VAL 2177Cb 0.52 -0.90 0.16 0.00 -1.06 0.00 0.00 33.84 32.56 1rxs n VAL 2177CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1rxs n ARG 2178N 0.61 -0.08 -0.21 1.45 0.63 -1.26 -0.75 116.66 117.05 1rxs n ARG 2178Ca 0.10 1.43 0.17 0.00 -0.92 0.00 0.00 57.85 58.63 1rxs n ARG 2178Cb 0.34 -2.16 0.50 0.00 0.45 0.00 0.00 32.46 31.58 1rxs n ARG 2178CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1rxs h HIS 2179N 0.00 0.53 -0.01 -0.14 2.76 -2.03 -2.48 115.15 113.78 1rxs h HIS 2179Ca 0.47 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.66 1rxs h HIS 2179Cb 0.78 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.58 1rxs h HIS 2179CO -0.66 0.18 -0.62 1.19 -1.30 0.00 0.00 177.93 176.72 1rxs n PHE 2180N -4.50 0.00 -1.66 5.26 3.01 0.07 -4.80 117.46 114.84 1rxs n PHE 2180Ca 0.17 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.19 1rxs n PHE 2180Cb 0.60 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.03 1rxs n PHE 2180CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1rxs n LYS 2181N -0.69 2.70 -1.01 -1.08 5.02 -0.94 -1.16 118.16 121.00 1rxs n LYS 2181Ca 0.06 0.98 -0.00 0.00 -2.02 0.00 0.00 58.31 57.33 1rxs n LYS 2181Cb 0.35 -2.93 -0.00 0.00 -0.02 0.00 0.00 35.03 32.43 1rxs n LYS 2181CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rxs n GLY 2182N 4.56 0.46 0.17 0.72 0.00 -1.26 -4.94 105.19 104.89 1rxs n GLY 2182Ca 0.21 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 1rxs n GLY 2182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rxs h SER 2183N 0.00 0.60 -0.58 1.61 4.64 -1.45 -3.13 113.55 115.24 1rxs h SER 2183Ca -0.00 -0.45 0.02 0.00 -0.47 0.00 0.00 61.79 60.88 1rxs h SER 2183Cb 0.11 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 61.99 1rxs h SER 2183CO 0.01 1.24 0.37 -0.03 -0.87 0.00 0.00 176.83 177.54 1rxs h MET 2184N 0.29 0.72 -0.21 4.77 -1.53 -1.92 -1.44 114.93 115.59 1rxs h MET 2184Ca -0.07 -0.04 -0.02 0.00 -3.44 0.00 0.00 59.70 56.12 1rxs h MET 2184Cb 1.51 -0.16 -0.01 0.00 -0.55 0.00 0.00 31.60 32.39 1rxs h MET 2184CO 0.16 0.48 0.03 1.49 0.14 0.00 0.00 176.91 179.21 1rxs h GLU 2185N 0.74 0.31 -0.03 0.39 4.81 -1.96 -0.76 114.58 118.07 1rxs h GLU 2185Ca 0.22 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 1rxs h GLU 2185Cb -0.04 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 1rxs h GLU 2185CO -0.07 0.31 -0.03 0.93 -0.73 0.00 0.00 179.01 179.42 1rxs h GLU 2186N 0.30 0.07 -0.95 1.92 4.39 -1.27 -2.03 114.58 117.02 1rxs h GLU 2186Ca 0.07 -0.04 0.07 0.00 0.34 0.00 0.00 59.36 59.81 1rxs h GLU 2186Cb 0.16 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.74 1rxs h GLU 2186CO -0.00 0.51 0.60 -1.49 -1.16 0.00 0.00 179.01 177.47 1rxs h TRP 2187N -0.37 1.11 -0.41 4.33 -0.00 -0.96 -1.94 115.95 117.71 1rxs h TRP 2187Ca 0.01 0.03 -0.02 0.00 -0.00 0.00 0.00 58.89 58.90 1rxs h TRP 2187Cb 0.50 -0.36 -0.02 0.00 -0.00 0.00 0.00 29.16 29.28 1rxs h TRP 2187CO 0.08 0.55 0.17 1.96 -0.00 0.00 0.00 178.44 181.20 1rxs h GLN 2188N 1.07 0.61 -0.58 0.49 4.20 -1.05 -1.58 115.11 118.28 1rxs h GLN 2188Ca 0.42 -0.11 0.11 0.00 0.06 0.00 0.00 58.65 59.14 1rxs h GLN 2188Cb 0.22 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 1rxs h GLN 2188CO -0.19 0.57 0.39 0.00 -0.67 0.00 0.00 178.83 178.93 1rxs h ALA 2189N 1.02 2.15 -0.15 3.87 0.00 -0.74 -0.51 119.26 124.89 1rxs h ALA 2189Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1rxs h ALA 2189Cb 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1rxs h ALA 2189CO -0.01 -0.29 0.00 -1.33 0.00 0.00 0.00 179.25 177.62 1rxs n MET 2190N -4.45 1.47 -1.00 0.00 2.81 -0.69 -4.89 117.12 110.37 1rxs n MET 2190Ca 0.10 -0.72 -0.00 0.00 -1.81 0.00 0.00 57.70 55.27 1rxs n MET 2190Cb 0.44 -1.28 -0.00 0.00 -0.71 0.00 0.00 33.22 31.67 1rxs n MET 2190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rxs n GLY 2191N 0.94 0.47 3.75 3.03 0.00 -0.20 -5.01 105.19 108.17 1rxs n GLY 2191Ca 0.12 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1rxs n GLY 2191CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rxs s VAL 2192N -1.95 2.47 -0.02 1.61 1.01 -0.68 -4.63 120.40 118.20 1rxs s VAL 2192Ca 0.00 0.39 -0.04 0.00 0.00 0.00 0.00 61.98 62.33 1rxs s VAL 2192Cb 0.00 -3.25 -0.28 0.00 0.00 0.00 0.00 36.38 32.85 1rxs s VAL 2192CO 0.00 0.06 0.78 0.24 0.00 0.00 0.00 175.10 176.18 1rxs h MET 2193N 4.93 0.27 -2.49 2.72 0.00 -1.15 -3.42 114.93 115.79 1rxs h MET 2193Ca -0.46 -0.45 0.11 0.00 0.00 0.00 0.00 59.70 58.89 1rxs h MET 2193Cb 1.22 0.17 -0.11 0.00 0.00 0.00 0.00 31.60 32.87 1rxs h MET 2193CO 0.78 1.13 0.42 0.54 0.00 0.00 0.00 176.91 179.77 1rxs s ASN 2194N -7.00 -0.32 -0.08 1.22 4.22 -1.26 -0.31 114.94 111.41 1rxs s ASN 2194Ca -0.11 -0.20 -0.01 0.00 -2.14 0.00 0.00 52.86 50.40 1rxs s ASN 2194Cb 0.07 0.49 -0.03 0.00 1.28 0.00 0.00 41.25 43.05 1rxs s ASN 2194CO 0.85 -0.84 -0.02 -0.31 -2.04 0.00 0.00 177.10 174.73 1rxs s TYR 2195N -3.36 3.09 0.00 1.54 2.02 -0.06 -0.68 117.35 119.91 1rxs s TYR 2195Ca 0.07 0.14 0.00 0.00 -0.37 0.00 0.00 57.07 56.91 1rxs s TYR 2195Cb -0.02 -1.77 0.00 0.00 -0.40 0.00 0.00 41.96 39.77 1rxs s TYR 2195CO -0.04 0.42 0.00 -0.85 -1.57 0.00 0.00 175.55 173.51 1rxs n GLU 2196N 2.20 0.00 0.00 -0.62 -0.00 -0.49 -2.63 120.64 119.10 1rxs n GLU 2196Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 1rxs n GLU 2196Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 1rxs n GLU 2196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1rxs n MET 2197N 0.00 -0.27 0.00 3.44 2.81 -1.26 -0.68 117.12 121.16 1rxs n MET 2197Ca 0.00 -0.56 0.00 0.00 -1.81 0.00 0.00 57.70 55.33 1rxs n MET 2197Cb 0.00 -0.91 0.00 0.00 -0.71 0.00 0.00 33.22 31.60 1rxs n MET 2197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1rxs n GLU 2198N -0.07 1.60 -0.30 0.03 4.71 -1.26 -3.54 120.64 121.81 1rxs n GLU 2198Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.10 1rxs n GLU 2198Cb 0.09 -0.88 0.08 0.00 -1.01 0.00 0.00 31.44 29.72 1rxs n GLU 2198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1rxs h SER 2199N 0.00 1.11 -0.49 1.62 4.64 -1.94 -1.68 113.55 116.81 1rxs h SER 2199Ca 0.00 -0.16 0.06 0.00 -0.47 0.00 0.00 61.79 61.22 1rxs h SER 2199Cb 0.06 -0.29 -0.05 0.00 -0.31 0.00 0.00 62.40 61.82 1rxs h SER 2199CO 0.00 0.96 0.21 0.00 -0.87 0.00 0.00 176.83 177.12 1rxs h ALA 2200N 1.20 0.61 0.38 5.18 0.00 -1.87 0.27 119.26 125.03 1rxs h ALA 2200Ca 0.28 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1rxs h ALA 2200Cb 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1rxs h ALA 2200CO -0.03 -0.17 -0.18 1.15 0.00 0.00 0.00 179.25 180.02 1rxs h THR 2201N 0.41 0.62 0.27 0.00 2.02 -1.80 -2.26 112.91 112.17 1rxs h THR 2201Ca 0.23 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1rxs h THR 2201Cb 0.19 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 1rxs h THR 2201CO -0.20 0.07 -0.32 0.25 0.37 0.00 0.00 175.52 175.69 1rxs h LEU 2202N -0.72 -0.89 -0.77 2.58 5.85 -1.05 0.11 115.31 120.41 1rxs h LEU 2202Ca -0.05 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1rxs h LEU 2202Cb 0.50 0.31 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 1rxs h LEU 2202CO 0.09 -0.45 0.51 -0.07 -0.34 0.00 0.00 178.44 178.18 1rxs h LEU 2203N -0.64 0.89 -0.14 2.25 3.38 -0.56 -1.52 115.31 118.96 1rxs h LEU 2203Ca -0.01 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1rxs h LEU 2203Cb 0.61 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1rxs h LEU 2203CO -0.09 0.64 -0.05 0.74 0.09 0.00 0.00 178.44 179.76 1rxs h THR 2204N 1.05 1.31 -0.25 0.22 2.02 -1.14 0.79 112.91 116.90 1rxs h THR 2204Ca 0.29 -1.06 -0.08 0.00 0.77 0.00 0.00 66.41 66.33 1rxs h THR 2204Cb -0.12 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1rxs h THR 2204CO -0.06 0.31 -0.20 0.00 0.37 0.00 0.00 175.52 175.93 1rxs h MET 2205N -0.05 0.45 0.10 6.66 -0.00 -0.84 -1.64 114.93 119.61 1rxs h MET 2205Ca 0.03 -0.15 -0.01 0.00 -0.00 0.00 0.00 59.70 59.58 1rxs h MET 2205Cb 0.50 -0.04 0.00 0.00 -0.00 0.00 0.00 31.60 32.07 1rxs h MET 2205CO 0.02 0.63 -0.05 0.00 -0.00 0.00 0.00 176.91 177.51 1rxs h ALA 2207N -0.11 2.25 -0.10 0.00 0.00 -0.74 -0.74 119.26 119.82 1rxs h ALA 2207Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1rxs h ALA 2207Cb 0.57 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1rxs h ALA 2207CO 0.02 -0.42 0.00 -1.13 0.00 0.00 0.00 179.25 177.73 1rxs n SER 2208N -4.44 1.74 -0.20 0.00 3.41 -0.63 -4.11 113.62 109.39 1rxs n SER 2208Ca 0.12 -1.64 0.03 0.00 -0.26 0.00 0.00 58.87 57.12 1rxs n SER 2208Cb 0.53 -0.06 0.04 0.00 -0.26 0.00 0.00 64.21 64.47 1rxs n SER 2208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rxs n GLN 2209N 0.36 0.86 -1.36 4.33 6.02 -0.37 -5.00 117.38 122.21 1rxs n GLN 2209Ca 0.18 -1.49 -0.08 0.00 -0.01 0.00 0.00 57.00 55.59 1rxs n GLN 2209Cb 0.37 -0.89 -0.03 0.00 1.02 0.00 0.00 30.24 30.70 1rxs n GLN 2209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rxs n GLY 2210N -0.53 0.87 3.80 1.08 0.00 -1.01 -5.02 105.19 104.39 1rxs n GLY 2210Ca 0.05 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 1rxs n GLY 2210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rxs s LEU 2211N -1.92 4.05 -0.07 0.99 1.43 -0.70 -5.05 118.68 117.41 1rxs s LEU 2211Ca 0.00 0.30 -0.22 0.00 -1.03 0.00 0.00 54.13 53.18 1rxs s LEU 2211Cb 0.00 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 1rxs s LEU 2211CO 0.00 0.37 0.66 -0.13 0.23 0.00 0.00 176.35 177.47 1rxs s ARG 2212N -1.17 4.42 0.01 1.70 0.52 -0.32 -3.91 118.95 120.19 1rxs s ARG 2212Ca 0.17 0.80 0.01 0.00 -0.52 0.00 0.00 55.73 56.19 1rxs s ARG 2212Cb -0.12 -3.44 -0.01 0.00 0.52 0.00 0.00 34.95 31.91 1rxs s ARG 2212CO 0.06 0.10 -0.04 0.00 0.02 0.00 0.00 175.30 175.44 1rxs s ALA 2213N 0.69 0.33 0.13 2.13 0.00 -1.26 -0.10 121.76 123.68 1rxs s ALA 2213Ca 0.35 -0.28 0.03 0.00 0.00 0.00 0.00 51.96 52.06 1rxs s ALA 2213Cb -0.17 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 1rxs s ALA 2213CO 0.17 0.04 -0.07 0.20 0.00 0.00 0.00 175.76 176.10 1rxs s GLY 2214N -0.41 0.96 -0.09 0.00 0.00 -0.27 -0.31 107.32 107.20 1rxs s GLY 2214Ca -0.02 -1.44 -0.04 0.00 0.00 0.00 0.00 44.72 43.23 1rxs s GLY 2214CO -0.00 -1.53 0.18 -0.29 0.00 0.00 0.00 173.10 171.46 1rxs s MET 2215N -3.80 0.08 -0.02 2.90 0.00 -1.26 -1.13 119.30 116.07 1rxs s MET 2215Ca 0.15 0.52 -0.04 0.00 0.00 0.00 0.00 55.69 56.32 1rxs s MET 2215Cb 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 34.83 34.68 1rxs s MET 2215CO -0.01 -0.24 0.10 0.54 0.00 0.00 0.00 175.02 175.40 1rxs s VAL 2216N 1.81 0.04 -0.03 10.11 0.11 -0.39 -1.73 120.40 130.32 1rxs s VAL 2216Ca -0.03 -0.29 -0.12 0.00 -2.93 0.00 0.00 61.98 58.61 1rxs s VAL 2216Cb -0.12 -0.24 0.02 0.00 -1.53 0.00 0.00 36.38 34.51 1rxs s VAL 2216CO -0.06 -0.16 0.26 0.00 -3.33 0.00 0.00 175.10 171.81 1rxs s ALA 2217N -0.50 -0.66 0.00 1.54 0.00 -0.18 -1.32 121.76 120.64 1rxs s ALA 2217Ca -0.06 0.34 -0.15 0.00 0.00 0.00 0.00 51.96 52.09 1rxs s ALA 2217Cb -0.04 -0.05 -0.06 0.00 0.00 0.00 0.00 23.12 22.98 1rxs s ALA 2217CO 0.00 -0.22 0.42 0.20 0.00 0.00 0.00 175.76 176.16 1rxs s GLY 2218N -0.99 2.49 -0.25 0.00 0.00 -0.48 -0.48 107.32 107.62 1rxs s GLY 2218Ca -0.11 -0.20 -0.28 0.00 0.00 0.00 0.00 44.72 44.13 1rxs s GLY 2218CO 0.03 0.17 0.99 0.14 0.00 0.00 0.00 173.10 174.43 1rxs s VAL 2219N -1.05 4.70 -1.27 1.40 1.01 -0.27 -1.42 120.40 123.49 1rxs s VAL 2219Ca 0.24 1.86 0.15 0.00 0.00 0.00 0.00 61.98 64.23 1rxs s VAL 2219Cb -0.17 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 31.92 1rxs s VAL 2219CO 0.14 -0.20 0.78 2.30 0.00 0.00 0.00 175.10 178.12 1rxs n ILE 2220N 5.38 0.00 -3.59 2.22 -5.35 -0.18 -0.64 119.36 117.21 1rxs n ILE 2220Ca 0.10 -0.33 -0.14 0.00 -0.27 0.00 0.00 62.75 62.11 1rxs n ILE 2220Cb 0.47 1.16 -0.06 0.00 -1.74 0.00 0.00 39.64 39.46 1rxs n ILE 2220CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1rxs s VAL 2221N -1.81 0.00 -0.26 7.28 0.11 -1.24 -4.42 120.40 120.06 1rxs s VAL 2221Ca 0.11 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.09 1rxs s VAL 2221Cb 0.12 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.95 1rxs s VAL 2221CO 0.39 0.00 0.08 0.21 -3.33 0.00 0.00 175.10 172.44 1rxs s ASN 2222N -0.40 5.14 0.00 3.54 3.84 -1.26 -0.90 114.94 124.90 1rxs s ASN 2222Ca -0.04 -0.32 0.19 0.00 0.21 0.00 0.00 52.86 52.90 1rxs s ASN 2222Cb -0.03 -1.92 0.84 0.00 -0.55 0.00 0.00 41.25 39.60 1rxs s ASN 2222CO 0.03 -0.08 1.60 0.54 -2.79 0.00 0.00 177.10 176.41 1rxs n ARG 2223N 4.92 0.06 0.00 0.43 5.12 0.81 -1.43 116.66 126.56 1rxs n ARG 2223Ca -0.16 0.16 0.15 0.00 -1.93 0.00 0.00 57.85 56.08 1rxs n ARG 2223Cb 0.51 -1.50 0.83 0.00 -1.16 0.00 0.00 32.46 31.14 1rxs n ARG 2223CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1rxs n THR 2224N -1.45 0.00 -0.01 0.55 -2.24 -1.26 -3.94 114.28 105.93 1rxs n THR 2224Ca 0.06 -0.01 -0.01 0.00 -2.27 0.00 0.00 64.05 61.81 1rxs n THR 2224Cb 0.20 -0.43 -0.01 0.00 -2.10 0.00 0.00 70.33 68.00 1rxs n THR 2224CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rxs n GLN 2225N -1.05 2.94 -3.51 -0.78 6.02 -0.52 -5.11 117.38 115.36 1rxs n GLN 2225Ca 0.19 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 57.04 1rxs n GLN 2225Cb 0.18 -1.05 -0.05 0.00 1.02 0.00 0.00 30.24 30.34 1rxs n GLN 2225CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1rxs s GLN 2226N -2.05 1.00 -0.17 -1.09 -0.21 -1.06 -5.07 119.66 111.01 1rxs s GLN 2226Ca -0.01 0.07 -0.04 0.00 0.02 0.00 0.00 55.36 55.40 1rxs s GLN 2226Cb 0.01 0.47 -0.23 0.00 1.00 0.00 0.00 33.01 34.25 1rxs s GLN 2226CO 0.07 -0.35 0.17 0.39 -2.12 0.00 0.00 175.29 173.45 1rxs n GLU 2227N 0.57 0.72 -4.10 2.91 1.02 -1.26 -4.00 120.64 116.51 1rxs n GLU 2227Ca -0.16 0.23 -0.35 0.00 -0.02 0.00 0.00 57.16 56.86 1rxs n GLU 2227Cb 0.59 -1.65 -0.12 0.00 -0.02 0.00 0.00 31.44 30.25 1rxs n GLU 2227CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1rxs s ILE 2228N -2.54 4.20 0.61 -3.67 -1.09 -1.26 -5.02 121.20 112.43 1rxs s ILE 2228Ca -0.27 -0.23 -0.18 0.00 -2.23 0.00 0.00 60.65 57.74 1rxs s ILE 2228Cb 0.07 -2.89 -0.04 0.00 -1.58 0.00 0.00 42.46 38.02 1rxs s ILE 2228CO 0.71 0.44 1.06 -2.65 -1.23 0.00 0.00 174.94 173.27 1rxs n PRO 2229N 3.97 0.98 0.01 2.79 -0.02 -1.26 -5.06 135.00 136.42 1rxs n PRO 2229Ca -0.17 0.38 -0.13 0.00 -2.02 0.00 0.00 63.50 61.57 1rxs n PRO 2229Cb 0.52 -2.28 -0.09 0.00 -0.02 0.00 0.00 33.50 31.63 1rxs n PRO 2229CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1rxs h ASN 2230N 0.54 -0.06 0.00 2.55 2.35 -1.99 -3.51 115.58 115.45 1rxs h ASN 2230Ca -0.49 -0.43 0.00 0.00 -0.55 0.00 0.00 56.30 54.83 1rxs h ASN 2230Cb 1.36 0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.74 1rxs h ASN 2230CO 0.52 0.41 0.00 -0.24 -1.65 0.00 0.00 177.43 176.47 1rxs n SER 2239N -4.90 0.00 -0.10 5.81 2.88 -1.26 -5.17 113.62 110.88 1rxs n SER 2239Ca -0.08 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.34 1rxs n SER 2239Cb 0.25 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.67 1rxs n SER 2239CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 1rxs h HIS 2240N 0.00 0.71 -0.62 0.66 -0.00 -1.99 -3.11 115.15 110.79 1rxs h HIS 2240Ca 0.00 -0.17 -0.04 0.00 -0.00 0.00 0.00 60.37 60.16 1rxs h HIS 2240Cb 0.00 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 27.21 1rxs h HIS 2240CO 0.00 0.84 0.23 0.00 -0.00 0.00 0.00 177.93 179.00 1rxs h ALA 2241N 0.77 1.23 -0.35 2.45 0.00 -1.92 -2.00 119.26 119.43 1rxs h ALA 2241Ca 0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1rxs h ALA 2241Cb 0.64 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1rxs h ALA 2241CO 0.04 0.56 0.17 0.28 0.00 0.00 0.00 179.25 180.29 1rxs h VAL 2242N 0.90 1.17 -0.79 0.00 2.07 -1.97 0.06 116.25 117.70 1rxs h VAL 2242Ca 0.21 -0.48 0.08 0.00 0.82 0.00 0.00 66.70 67.33 1rxs h VAL 2242Cb 0.21 0.84 -0.07 0.00 -1.52 0.00 0.00 31.29 30.75 1rxs h VAL 2242CO -0.02 0.18 0.45 0.11 0.02 0.00 0.00 177.57 178.31 1rxs h LYS 2243N 0.43 0.76 -0.18 1.57 1.57 -1.43 -1.89 116.57 117.41 1rxs h LYS 2243Ca 0.12 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 1rxs h LYS 2243Cb 0.13 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 1rxs h LYS 2243CO -0.01 0.50 -0.13 0.82 -0.57 0.00 0.00 179.45 180.06 1rxs h ILE 2244N 0.78 1.33 -0.99 1.86 2.04 -0.81 -1.82 117.51 119.90 1rxs h ILE 2244Ca 0.37 -1.25 0.02 0.00 1.00 0.00 0.00 64.86 65.00 1rxs h ILE 2244Cb 0.30 1.76 -0.05 0.00 -0.74 0.00 0.00 36.82 38.08 1rxs h ILE 2244CO -0.22 0.37 0.65 1.62 0.00 0.00 0.00 178.15 180.57 1rxs h VAL 2245N 0.07 1.23 -0.19 1.67 3.04 -0.74 0.19 116.25 121.52 1rxs h VAL 2245Ca 0.03 -0.45 -0.03 0.00 -1.01 0.00 0.00 66.70 65.24 1rxs h VAL 2245Cb 0.64 -0.20 -0.01 0.00 -2.01 0.00 0.00 31.29 29.72 1rxs h VAL 2245CO 0.03 0.24 0.00 0.58 -1.01 0.00 0.00 177.57 177.42 1rxs h VAL 2246N 1.32 1.25 -0.50 1.51 2.07 -1.25 -0.85 116.25 119.80 1rxs h VAL 2246Ca 0.37 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 1rxs h VAL 2246Cb -0.11 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1rxs h VAL 2246CO -0.09 0.26 0.18 -0.08 0.02 0.00 0.00 177.57 177.86 1rxs h GLU 2247N 0.09 0.73 -0.45 1.57 4.57 -0.98 -2.04 114.58 118.06 1rxs h GLU 2247Ca 0.05 -0.11 -0.05 0.00 -1.18 0.00 0.00 59.36 58.07 1rxs h GLU 2247Cb 0.38 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 1rxs h GLU 2247CO 0.01 0.62 0.07 0.00 -1.18 0.00 0.00 179.01 178.53 1rxs h ALA 2248N 1.48 0.60 -0.84 2.92 0.00 -0.44 -2.93 119.26 120.06 1rxs h ALA 2248Ca 0.17 -0.23 0.10 0.00 0.00 0.00 0.00 54.91 54.95 1rxs h ALA 2248Cb 0.17 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.72 1rxs h ALA 2248CO -0.01 0.33 0.48 0.00 0.00 0.00 0.00 179.25 180.05 1rxs h ALA 2249N 0.95 1.20 -0.81 0.00 0.00 -0.61 -1.10 119.26 118.88 1rxs h ALA 2249Ca 0.14 0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.19 1rxs h ALA 2249Cb 0.39 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 1rxs h ALA 2249CO 0.01 0.09 0.45 -0.09 0.00 0.00 0.00 179.25 179.71 1rxs h ARG 2250N 0.79 0.70 0.00 0.00 2.43 -1.21 -0.91 114.38 116.19 1rxs h ARG 2250Ca 0.41 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 1rxs h ARG 2250Cb 0.39 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1rxs h ARG 2250CO -0.26 0.47 0.00 0.00 -1.51 0.00 0.00 179.97 178.67 1rxs h ARG 2251N 0.72 0.00 -0.03 0.20 3.08 -1.06 -3.23 114.38 114.07 1rxs h ARG 2251Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.46 1rxs h ARG 2251Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1rxs h ARG 2251CO -0.28 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 179.90 1rxs n LEU 2252N -2.44 2.97 0.00 3.04 4.77 -0.38 -5.06 117.00 119.89 1rxs n LEU 2252Ca 0.04 -0.99 0.11 0.00 -0.03 0.00 0.00 56.01 55.14 1rxs n LEU 2252Cb 0.38 -0.00 0.66 0.00 -2.33 0.00 0.00 43.42 42.14 1rxs n LEU 2252CO 0.28 0.50 0.85 0.18 -1.33 0.00 0.00 177.39 177.87