#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 -3.60 -3.46 3.32 -1.26 -3.47 116.42 107.95 1rxs h ASP 2005Ca 0.00 -0.10 -0.56 0.00 0.02 0.00 0.00 57.03 56.40 1rxs h ASP 2005Cb 0.00 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 39.36 1rxs h ASP 2005CO 0.00 0.05 -0.80 0.68 -1.72 0.00 0.00 179.24 177.45 1rxs s VAL 2006N -3.24 1.91 0.23 -1.35 -7.23 -1.22 -5.05 120.40 104.44 1rxs s VAL 2006Ca 0.04 -1.87 0.05 0.00 -1.81 0.00 0.00 61.98 58.39 1rxs s VAL 2006Cb 0.11 -1.85 -0.06 0.00 0.56 0.00 0.00 36.38 35.14 1rxs s VAL 2006CO 0.74 -0.22 1.53 0.15 -0.31 0.00 0.00 175.10 176.98 1rxs h PHE 2007N 3.40 0.25 0.00 2.82 3.04 -1.95 -3.36 116.94 121.14 1rxs h PHE 2007Ca -0.44 -0.10 -0.22 0.00 3.98 0.00 0.00 57.97 61.19 1rxs h PHE 2007Cb 1.20 -0.04 -0.04 0.00 2.56 0.00 0.00 35.95 39.63 1rxs h PHE 2007CO 0.67 0.79 -1.84 0.72 -2.02 0.00 0.00 178.31 176.63 1rxs n HIS 2008N -3.81 0.00 0.55 0.41 8.25 -1.26 -4.70 115.22 114.65 1rxs n HIS 2008Ca -0.02 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.56 1rxs n HIS 2008Cb 0.66 -0.58 0.31 0.00 1.12 0.00 0.00 29.99 31.50 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 0.00 0.00 -1.42 2.41 3.38 -1.93 -3.45 115.31 114.30 1rxs h LEU 2009Ca -0.33 -0.05 -0.37 0.00 0.09 0.00 0.00 57.88 57.23 1rxs h LEU 2009Cb 1.57 0.00 0.14 0.00 0.09 0.00 0.00 40.66 42.46 1rxs h LEU 2009CO -0.04 0.02 -0.75 0.61 0.09 0.00 0.00 178.44 178.37 1rxs n GLY 2010N 1.29 -0.41 3.31 0.83 0.00 -1.26 -4.71 105.19 104.23 1rxs n GLY 2010Ca 0.05 0.15 -0.19 0.00 0.00 0.00 0.00 46.02 46.03 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 -6.70 2.49 0.26 0.99 1.43 -1.26 -4.80 118.68 111.09 1rxs s LEU 2011Ca 0.19 -0.93 0.11 0.00 -1.03 0.00 0.00 54.13 52.47 1rxs s LEU 2011Cb -0.09 -0.65 -0.05 0.00 0.03 0.00 0.00 46.19 45.44 1rxs s LEU 2011CO 0.75 -0.15 -0.13 0.42 0.23 0.00 0.00 176.35 177.47 1rxs s THR 2012N -2.56 2.85 0.33 5.49 -4.23 -1.26 -0.66 115.64 115.60 1rxs s THR 2012Ca 0.17 -2.15 0.11 0.00 -1.18 0.00 0.00 61.69 58.64 1rxs s THR 2012Cb -0.03 -2.49 0.32 0.00 1.34 0.00 0.00 72.50 71.64 1rxs s THR 2012CO 0.05 -0.34 1.71 0.50 -0.54 0.00 0.00 174.62 175.99 1rxs h LYS 2013N 2.27 0.48 -0.36 3.99 3.11 -1.96 -1.58 116.57 122.52 1rxs h LYS 2013Ca -0.42 -0.03 -0.10 0.00 -2.81 0.00 0.00 60.65 57.28 1rxs h LYS 2013Cb 1.25 -0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 32.35 1rxs h LYS 2013CO 0.59 0.32 -0.20 -0.97 -2.81 0.00 0.00 179.45 176.37 1rxs h ASN 2014N 0.49 0.70 -0.36 4.20 -0.73 -1.95 -2.68 115.58 115.25 1rxs h ASN 2014Ca 0.67 -0.24 0.10 0.00 1.87 0.00 0.00 56.30 58.71 1rxs h ASN 2014Cb 1.37 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 39.75 1rxs h ASN 2014CO -0.52 0.90 0.26 0.44 -0.37 0.00 0.00 177.43 178.13 1rxs h ASP 2015N 0.62 0.03 1.15 1.15 3.32 -1.68 -2.48 116.42 118.52 1rxs h ASP 2015Ca 0.09 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.00 1rxs h ASP 2015Cb 0.68 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.20 1rxs h ASP 2015CO 0.05 0.02 -0.66 -0.07 -1.72 0.00 0.00 179.24 176.85 1rxs h LEU 2016N 0.03 0.00 -0.86 1.55 4.07 -1.49 -3.48 115.31 115.13 1rxs h LEU 2016Ca 0.17 0.00 -0.42 0.00 0.08 0.00 0.00 57.88 57.71 1rxs h LEU 2016Cb 0.65 0.00 0.09 0.00 1.08 0.00 0.00 40.66 42.48 1rxs h LEU 2016CO -0.01 0.66 -0.70 0.00 -1.08 0.00 0.00 178.44 177.32 1rxs n GLN 2017N -3.36 -7.32 -0.42 1.13 6.02 -0.94 -2.01 117.38 110.48 1rxs n GLN 2017Ca 0.01 0.77 0.00 0.00 -0.01 0.00 0.00 57.00 57.77 1rxs n GLN 2017Cb 0.76 -5.78 0.00 0.00 1.02 0.00 0.00 30.24 26.24 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 -1.93 0.81 3.64 1.08 0.00 -1.26 -4.79 105.19 102.75 1rxs n GLY 2018Ca 0.02 0.00 -0.46 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 -0.64 0.55 -0.16 4.61 0.00 -0.85 -4.92 120.51 119.10 1rxs n ALA 2019Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1rxs n ALA 2019Cb 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.24 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 1.93 0.00 -5.12 0.00 -2.24 -1.26 -4.31 114.28 103.28 1rxs n THR 2020Ca 0.13 -0.41 -0.30 0.00 -2.27 0.00 0.00 64.05 61.21 1rxs n THR 2020Cb 0.29 1.16 -0.16 0.00 -2.10 0.00 0.00 70.33 69.52 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 -0.21 2.02 -0.08 3.22 0.20 -1.26 0.20 118.68 122.77 1rxs s LEU 2021Ca 0.00 -0.47 0.03 0.00 0.69 0.00 0.00 54.13 54.39 1rxs s LEU 2021Cb 0.00 -1.25 0.01 0.00 -0.43 0.00 0.00 46.19 44.52 1rxs s LEU 2021CO 0.00 0.21 -0.18 0.00 -0.29 0.00 0.00 176.35 176.09 1rxs s ALA 2022N -0.04 1.67 -0.18 5.97 0.00 0.21 -1.55 121.76 127.83 1rxs s ALA 2022Ca -0.05 -0.66 -0.21 0.00 0.00 0.00 0.00 51.96 51.03 1rxs s ALA 2022Cb -0.14 -0.68 -0.03 0.00 0.00 0.00 0.00 23.12 22.28 1rxs s ALA 2022CO 0.04 0.19 0.64 0.42 0.00 0.00 0.00 175.76 177.06 1rxs s ILE 2023N 0.52 5.02 -0.54 0.00 1.01 0.07 -0.71 121.20 126.57 1rxs s ILE 2023Ca -0.17 1.23 0.02 0.00 0.00 0.00 0.00 60.65 61.74 1rxs s ILE 2023Cb -0.17 -3.96 0.14 0.00 0.01 0.00 0.00 42.46 38.48 1rxs s ILE 2023CO 0.06 0.13 0.30 0.68 0.00 0.00 0.00 174.94 176.11 1rxs s VAL 2024N 1.76 2.85 0.93 2.92 -7.23 0.44 -1.56 120.40 120.52 1rxs s VAL 2024Ca 0.30 -3.23 -0.14 0.00 -1.81 0.00 0.00 61.98 57.11 1rxs s VAL 2024Cb -0.16 -2.95 0.15 0.00 0.56 0.00 0.00 36.38 33.99 1rxs s VAL 2024CO 0.11 -0.82 1.17 -2.16 -0.31 0.00 0.00 175.10 173.10 1rxs s PRO 2025N -0.23 0.95 -0.13 4.82 0.04 -1.22 -3.21 135.00 136.02 1rxs s PRO 2025Ca 0.17 0.12 -0.02 0.00 0.04 0.00 0.00 61.00 61.30 1rxs s PRO 2025Cb -0.24 -1.83 -0.25 0.00 0.04 0.00 0.00 34.50 32.22 1rxs s PRO 2025CO -0.01 -2.30 0.33 0.41 0.04 0.00 0.00 177.00 175.48 1rxs n GLY 2026N -2.50 -0.61 3.65 0.56 0.00 -1.25 -1.32 105.19 103.72 1rxs n GLY 2026Ca 0.09 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 1rxs n GLY 2026CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rxs s ASP 2027N -6.80 6.31 0.31 1.61 3.68 -1.26 -0.82 116.67 119.70 1rxs s ASP 2027Ca -0.21 0.36 0.05 0.00 2.13 0.00 0.00 52.55 54.89 1rxs s ASP 2027Cb 0.07 -2.20 0.71 0.00 -1.45 0.00 0.00 42.92 40.05 1rxs s ASP 2027CO 0.76 -0.09 1.80 -0.65 0.13 0.00 0.00 175.17 177.13 1rxs h PRO 2028N 7.67 0.79 0.00 4.34 0.10 -1.90 -1.45 132.00 141.54 1rxs h PRO 2028Ca -0.35 -0.05 0.00 0.00 0.10 0.00 0.00 66.00 65.70 1rxs h PRO 2028Cb 1.16 -0.18 0.00 0.00 0.10 0.00 0.00 31.00 32.09 1rxs h PRO 2028CO 0.68 0.52 0.00 -0.25 0.10 0.00 0.00 178.00 179.05 1rxs n ASP 2029N -4.69 0.20 -0.44 -2.05 8.00 -1.26 -2.18 116.55 114.12 1rxs n ASP 2029Ca 0.21 0.55 0.11 0.00 0.71 0.00 0.00 54.79 56.38 1rxs n ASP 2029Cb 0.51 -0.59 0.06 0.00 -0.02 0.00 0.00 41.12 41.08 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 -1.72 1.12 0.23 -1.24 0.63 -0.55 -4.48 116.66 110.66 1rxs n ARG 2030Ca 0.03 -0.89 -0.15 0.00 -0.92 0.00 0.00 57.85 55.92 1rxs n ARG 2030Cb 0.19 -1.48 -0.08 0.00 0.45 0.00 0.00 32.46 31.54 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 2.17 0.60 -0.51 5.15 2.07 -1.49 -2.23 116.25 122.02 1rxs h VAL 2031Ca 0.00 -0.16 0.08 0.00 0.82 0.00 0.00 66.70 67.44 1rxs h VAL 2031Cb 0.71 0.68 -0.07 0.00 -1.52 0.00 0.00 31.29 31.09 1rxs h VAL 2031CO 0.00 0.03 0.13 -0.08 0.02 0.00 0.00 177.57 177.67 1rxs h GLU 2032N -0.64 0.26 -0.62 1.57 4.81 -1.78 -0.74 114.58 117.44 1rxs h GLU 2032Ca -0.06 -0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.26 1rxs h GLU 2032Cb 0.47 -0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.71 1rxs h GLU 2032CO 0.09 0.17 0.22 0.87 -0.73 0.00 0.00 179.01 179.64 1rxs h LYS 2033N 0.27 0.39 -0.08 1.92 6.56 -1.74 0.65 116.57 124.54 1rxs h LYS 2033Ca 0.25 -0.02 -0.02 0.00 -1.06 0.00 0.00 60.65 59.80 1rxs h LYS 2033Cb 0.33 -0.09 -0.00 0.00 -0.57 0.00 0.00 32.23 31.90 1rxs h LYS 2033CO -0.31 0.26 -0.02 0.82 -2.06 0.00 0.00 179.45 178.13 1rxs h ILE 2034N 0.40 1.30 -0.87 1.86 2.04 -0.90 -3.08 117.51 118.26 1rxs h ILE 2034Ca 0.32 -0.96 0.13 0.00 1.00 0.00 0.00 64.86 65.35 1rxs h ILE 2034Cb 0.41 1.79 -0.09 0.00 -0.74 0.00 0.00 36.82 38.19 1rxs h ILE 2034CO -0.33 0.27 0.48 0.00 0.00 0.00 0.00 178.15 178.58 1rxs h ALA 2035N 0.66 1.30 0.00 1.87 0.00 -0.67 -0.78 119.26 121.64 1rxs h ALA 2035Ca 0.02 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1rxs h ALA 2035Cb 0.43 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1rxs h ALA 2035CO 0.01 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.27 1rxs h ALA 2036N 1.53 1.00 -0.00 0.00 0.00 -0.79 0.24 119.26 121.24 1rxs h ALA 2036Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1rxs h ALA 2036Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1rxs h ALA 2036CO -0.32 0.00 -0.01 1.28 0.00 0.00 0.00 179.25 180.20 1rxs n LEU 2037N -2.35 0.01 0.00 0.00 4.77 -0.30 -4.87 117.00 114.26 1rxs n LEU 2037Ca -0.01 0.45 -0.08 0.00 -0.03 0.00 0.00 56.01 56.34 1rxs n LEU 2037Cb 0.08 -0.46 -0.00 0.00 -2.33 0.00 0.00 43.42 40.72 1rxs n LEU 2037CO 0.13 0.00 0.02 0.23 -1.33 0.00 0.00 177.39 176.44 1rxs n MET 2038N -1.46 1.27 -3.49 3.23 2.81 0.07 -5.13 117.12 114.42 1rxs n MET 2038Ca 0.08 -1.01 -0.31 0.00 -1.81 0.00 0.00 57.70 54.65 1rxs n MET 2038Cb 0.32 0.11 -0.05 0.00 -0.71 0.00 0.00 33.22 32.90 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 -1.94 6.55 -1.38 7.83 -0.00 -0.06 -4.57 116.67 123.10 1rxs s ASP 2039Ca 0.09 0.77 -0.07 0.00 -0.00 0.00 0.00 52.55 53.34 1rxs s ASP 2039Cb -0.01 -2.17 0.00 0.00 -0.00 0.00 0.00 42.92 40.75 1rxs s ASP 2039CO 0.06 -0.05 0.40 0.29 -0.00 0.00 0.00 175.17 175.86 1rxs n LYS 2040N -0.19 -2.09 -2.01 8.23 5.02 -1.26 0.35 118.16 126.21 1rxs n LYS 2040Ca -0.01 0.30 -0.42 0.00 -2.02 0.00 0.00 58.31 56.16 1rxs n LYS 2040Cb 0.52 -4.01 -0.03 0.00 -0.02 0.00 0.00 35.03 31.50 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 -6.78 4.26 -0.05 1.97 0.04 -1.26 -4.44 135.00 128.74 1rxs s PRO 2041Ca 0.12 2.30 -0.02 0.00 0.04 0.00 0.00 61.00 63.44 1rxs s PRO 2041Cb -0.05 -3.13 0.04 0.00 0.04 0.00 0.00 34.50 31.39 1rxs s PRO 2041CO 0.92 -0.47 0.11 0.08 0.04 0.00 0.00 177.00 177.68 1rxs s VAL 2042N 0.37 -0.09 0.14 -0.36 1.01 0.62 -4.99 120.40 117.10 1rxs s VAL 2042Ca 0.62 0.25 -0.30 0.00 0.00 0.00 0.00 61.98 62.55 1rxs s VAL 2042Cb -0.42 -0.20 -0.07 0.00 0.00 0.00 0.00 36.38 35.69 1rxs s VAL 2042CO 0.39 0.10 1.24 -0.75 0.00 0.00 0.00 175.10 176.09 1rxs s LYS 2043N 1.43 4.43 -0.19 2.72 2.20 -1.26 -0.78 119.74 128.29 1rxs s LYS 2043Ca -0.06 1.90 -0.06 0.00 -0.36 0.00 0.00 55.97 57.39 1rxs s LYS 2043Cb -0.12 -3.26 -0.10 0.00 -1.51 0.00 0.00 37.83 32.84 1rxs s LYS 2043CO -0.05 -0.21 -0.23 1.28 -0.36 0.00 0.00 175.35 175.78 1rxs n LEU 2044N 3.15 1.90 -3.45 5.43 4.77 0.74 -4.91 117.00 124.62 1rxs n LEU 2044Ca 0.07 0.13 -0.11 0.00 -0.03 0.00 0.00 56.01 56.07 1rxs n LEU 2044Cb 0.44 -0.60 -0.02 0.00 -2.33 0.00 0.00 43.42 40.91 1rxs n LEU 2044CO 0.56 0.54 0.47 0.00 -1.33 0.00 0.00 177.39 177.64 1rxs s ALA 2045N -2.36 -1.66 -0.21 -1.18 0.00 -1.05 -5.00 121.76 110.29 1rxs s ALA 2045Ca -0.27 0.66 -0.04 0.00 0.00 0.00 0.00 51.96 52.32 1rxs s ALA 2045Cb 0.09 0.72 0.11 0.00 0.00 0.00 0.00 23.12 24.04 1rxs s ALA 2045CO 0.37 -0.73 0.30 0.45 0.00 0.00 0.00 175.76 176.15 1rxs s SER 2046N -2.60 0.69 -0.05 0.00 0.15 -1.26 -1.06 113.70 109.57 1rxs s SER 2046Ca 0.01 0.13 -0.03 0.00 0.70 0.00 0.00 55.95 56.77 1rxs s SER 2046Cb -0.01 0.77 0.03 0.00 -1.71 0.00 0.00 66.02 65.10 1rxs s SER 2046CO -0.11 -0.30 0.12 -1.00 1.20 0.00 0.00 173.24 173.15 1rxs s HIS 2047N 2.44 -0.13 0.00 3.44 3.76 -0.37 -5.00 115.29 119.43 1rxs s HIS 2047Ca 0.08 0.37 0.00 0.00 -0.15 0.00 0.00 55.06 55.36 1rxs s HIS 2047Cb -0.15 -0.04 0.00 0.00 1.11 0.00 0.00 32.58 33.50 1rxs s HIS 2047CO -0.13 -0.11 0.00 0.54 -0.85 0.00 0.00 174.74 174.19 1rxs n ARG 2048N 3.69 0.00 -0.07 1.40 1.74 -1.26 0.13 116.66 122.28 1rxs n ARG 2048Ca -0.20 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 56.93 1rxs n ARG 2048Cb 0.55 0.00 0.21 0.00 -1.02 0.00 0.00 32.46 32.20 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 1.40 -3.54 5.56 0.00 -1.26 -4.78 120.64 132.02 1rxs n GLU 2049Ca 0.00 -0.61 -0.41 0.00 0.00 0.00 0.00 57.16 56.14 1rxs n GLU 2049Cb 0.00 -1.21 -0.09 0.00 0.00 0.00 0.00 31.44 30.15 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 -1.81 3.36 -0.15 -1.84 0.08 0.12 -4.00 117.98 113.74 1rxs s PHE 2050Ca 0.18 -1.59 -0.03 0.00 0.12 0.00 0.00 56.93 55.61 1rxs s PHE 2050Cb 0.09 -3.27 -0.03 0.00 -0.57 0.00 0.00 43.02 39.24 1rxs s PHE 2050CO 0.13 -0.92 -0.05 0.99 -0.10 0.00 0.00 175.22 175.27 1rxs s THR 2051N 1.44 3.74 -0.15 0.64 2.01 -1.26 -1.23 115.64 120.83 1rxs s THR 2051Ca 0.04 -0.41 0.02 0.00 0.31 0.00 0.00 61.69 61.65 1rxs s THR 2051Cb -0.25 -2.63 0.01 0.00 0.01 0.00 0.00 72.50 69.65 1rxs s THR 2051CO 0.01 0.50 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.36 1rxs s THR 2052N 0.31 1.91 0.21 -0.82 2.01 -0.22 -1.66 115.64 117.37 1rxs s THR 2052Ca -0.05 -0.87 0.09 0.00 0.31 0.00 0.00 61.69 61.17 1rxs s THR 2052Cb -0.14 -1.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.61 1rxs s THR 2052CO 0.03 0.52 -0.10 0.26 -0.69 0.00 0.00 174.62 174.65 1rxs s TRP 2053N 1.04 2.59 0.01 4.92 0.52 0.17 -0.19 118.94 128.01 1rxs s TRP 2053Ca -0.03 -0.24 0.07 0.00 0.02 0.00 0.00 56.10 55.93 1rxs s TRP 2053Cb -0.14 -1.23 -0.03 0.00 -1.15 0.00 0.00 33.47 30.91 1rxs s TRP 2053CO -0.06 0.55 -0.22 0.50 0.02 0.00 0.00 176.95 177.74 1rxs s ARG 2054N -3.04 2.08 0.12 4.98 3.52 0.04 -0.05 118.95 126.60 1rxs s ARG 2054Ca 0.26 -0.95 0.01 0.00 -0.13 0.00 0.00 55.73 54.92 1rxs s ARG 2054Cb -0.08 -2.12 -0.01 0.00 -1.56 0.00 0.00 34.95 31.19 1rxs s ARG 2054CO 0.16 0.55 0.13 0.00 -0.81 0.00 0.00 175.30 175.33 1rxs n ALA 2055N 2.02 0.11 -2.79 6.12 0.00 -0.31 -0.28 120.51 125.39 1rxs n ALA 2055Ca -0.16 -0.65 -0.26 0.00 0.00 0.00 0.00 53.44 52.36 1rxs n ALA 2055Cb 0.52 0.53 -0.16 0.00 0.00 0.00 0.00 19.45 20.34 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 -2.41 1.73 -0.15 0.00 2.12 0.16 -0.58 118.70 119.57 1rxs s GLU 2056Ca 0.13 -0.63 -0.02 0.00 0.36 0.00 0.00 54.97 54.81 1rxs s GLU 2056Cb 0.00 -1.54 0.04 0.00 0.26 0.00 0.00 34.13 32.90 1rxs s GLU 2056CO 0.09 0.29 -0.01 -1.17 -0.54 0.00 0.00 175.26 173.92 1rxs s LEU 2057N -0.09 1.19 -1.49 2.70 2.96 0.12 -0.89 118.68 123.18 1rxs s LEU 2057Ca -0.01 -0.57 -0.08 0.00 -0.22 0.00 0.00 54.13 53.25 1rxs s LEU 2057Cb -0.10 -0.67 0.06 0.00 0.50 0.00 0.00 46.19 45.97 1rxs s LEU 2057CO 0.01 -0.23 0.72 0.47 -1.32 0.00 0.00 176.35 176.00 1rxs n ASP 2058N 5.01 -2.42 0.00 3.68 8.00 -1.26 -1.49 116.55 128.07 1rxs n ASP 2058Ca -0.10 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.50 1rxs n ASP 2058Cb 0.48 -3.41 0.00 0.00 -0.02 0.00 0.00 41.12 38.17 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 -1.69 0.60 3.54 0.44 0.00 -1.26 -5.02 105.19 101.79 1rxs n GLY 2059Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.30 2.70 0.23 1.61 -0.14 -0.56 -5.07 119.74 118.21 1rxs s LYS 2060Ca 0.00 -0.60 -0.30 0.00 -1.36 0.00 0.00 55.97 53.71 1rxs s LYS 2060Cb 0.00 -2.53 -0.09 0.00 -1.68 0.00 0.00 37.83 33.53 1rxs s LYS 2060CO 0.00 0.63 1.31 -1.25 -0.76 0.00 0.00 175.35 175.28 1rxs s PRO 2061N -0.73 4.39 0.00 -1.68 0.04 -1.26 0.11 135.00 135.87 1rxs s PRO 2061Ca 0.11 2.09 0.01 0.00 0.04 0.00 0.00 61.00 63.25 1rxs s PRO 2061Cb -0.11 -3.17 -0.01 0.00 0.04 0.00 0.00 34.50 31.26 1rxs s PRO 2061CO 0.01 -0.23 -0.05 0.08 0.04 0.00 0.00 177.00 176.85 1rxs s VAL 2062N -0.15 0.35 -0.10 -0.36 1.01 0.26 -4.34 120.40 117.07 1rxs s VAL 2062Ca 0.55 -0.30 -0.05 0.00 0.00 0.00 0.00 61.98 62.18 1rxs s VAL 2062Cb -0.37 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 1rxs s VAL 2062CO 0.41 0.02 0.11 -0.63 0.00 0.00 0.00 175.10 175.02 1rxs s ILE 2063N -0.28 5.24 -0.18 2.22 -1.09 -0.60 -1.16 121.20 125.34 1rxs s ILE 2063Ca -0.00 0.06 0.00 0.00 -2.23 0.00 0.00 60.65 58.48 1rxs s ILE 2063Cb -0.03 -3.29 0.01 0.00 -1.58 0.00 0.00 42.46 37.58 1rxs s ILE 2063CO -0.00 0.58 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.42 1rxs s VAL 2064N -1.04 2.29 -0.03 2.92 1.01 0.93 -0.75 120.40 125.73 1rxs s VAL 2064Ca 0.16 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.28 1rxs s VAL 2064Cb -0.12 -1.97 0.03 0.00 0.00 0.00 0.00 36.38 34.32 1rxs s VAL 2064CO 0.06 0.52 0.01 0.00 0.00 0.00 0.00 175.10 175.69 1rxs s SER 2066N 1.20 6.92 -0.02 0.00 1.04 -0.66 -3.39 113.70 118.79 1rxs s SER 2066Ca -0.07 1.43 0.20 0.00 0.48 0.00 0.00 55.95 57.99 1rxs s SER 2066Cb -0.13 -2.43 -0.27 0.00 0.10 0.00 0.00 66.02 63.29 1rxs s SER 2066CO -0.02 -0.17 0.60 0.35 0.98 0.00 0.00 173.24 174.98 1rxs n THR 2067N -0.09 0.00 -2.12 2.02 -2.24 -0.43 -4.40 114.28 107.02 1rxs n THR 2067Ca 0.03 -0.28 0.03 0.00 -2.27 0.00 0.00 64.05 61.55 1rxs n THR 2067Cb 0.53 0.46 -0.01 0.00 -2.10 0.00 0.00 70.33 69.21 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 1.41 -2.02 3.70 3.38 0.00 0.00 -3.35 105.19 108.31 1rxs n GLY 2068Ca -0.00 -1.39 -0.40 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.70 5.06 0.00 -0.61 1.01 -1.26 -4.69 121.20 120.01 1rxs s ILE 2069Ca 0.00 1.32 0.00 0.00 0.00 0.00 0.00 60.65 61.97 1rxs s ILE 2069Cb 0.00 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.48 1rxs s ILE 2069CO 0.00 0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.77 1rxs n GLY 2070N 3.28 2.37 0.27 6.18 0.00 -1.26 -4.62 105.19 111.41 1rxs n GLY 2070Ca -0.02 -1.81 -0.04 0.00 0.00 0.00 0.00 46.02 44.15 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 0.15 0.32 -0.02 0.00 -1.86 -2.47 103.07 99.19 1rxs h GLY 2071Ca 0.00 0.28 0.05 0.00 0.00 0.00 0.00 47.33 47.66 1rxs h GLY 2071CO 0.00 -0.22 -0.23 -2.55 0.00 0.00 0.00 176.54 173.54 1rxs h PRO 2072N -0.10 -0.29 -0.04 4.80 0.11 -1.95 0.49 132.00 135.02 1rxs h PRO 2072Ca 0.24 0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.25 1rxs h PRO 2072Cb 0.47 0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 1rxs h PRO 2072CO -0.58 -0.19 -0.52 0.66 -0.21 0.00 0.00 178.00 177.16 1rxs h SER 2073N -0.30 0.12 -0.48 -2.05 4.64 -1.78 -2.56 113.55 111.15 1rxs h SER 2073Ca 0.10 -0.06 0.04 0.00 -0.47 0.00 0.00 61.79 61.40 1rxs h SER 2073Cb 0.44 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 62.46 1rxs h SER 2073CO -0.29 0.62 0.25 0.74 -0.87 0.00 0.00 176.83 177.28 1rxs h THR 2074N 0.09 0.98 -0.49 2.95 2.02 -0.86 -1.25 112.91 116.34 1rxs h THR 2074Ca -0.00 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 1rxs h THR 2074Cb 0.95 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1rxs h THR 2074CO 0.07 0.09 0.21 0.77 0.37 0.00 0.00 175.52 177.03 1rxs h SER 2075N 0.50 0.63 0.20 4.18 4.64 0.34 -0.07 113.55 123.96 1rxs h SER 2075Ca 0.21 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 1rxs h SER 2075Cb 0.10 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1rxs h SER 2075CO -0.14 0.56 -0.10 0.40 -0.87 0.00 0.00 176.83 176.69 1rxs h ILE 2076N 0.70 0.90 -0.36 0.95 2.04 -1.12 -1.85 117.51 118.77 1rxs h ILE 2076Ca 0.17 -0.62 0.05 0.00 1.00 0.00 0.00 64.86 65.46 1rxs h ILE 2076Cb 0.12 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 1rxs h ILE 2076CO -0.02 0.14 0.09 0.00 0.00 0.00 0.00 178.15 178.36 1rxs h ALA 2077N 0.13 0.40 -0.08 1.87 0.00 -0.48 -1.53 119.26 119.56 1rxs h ALA 2077Ca -0.03 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1rxs h ALA 2077Cb 0.43 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1rxs h ALA 2077CO 0.04 -0.31 0.02 0.28 0.00 0.00 0.00 179.25 179.29 1rxs h VAL 2078N 0.22 1.18 -0.39 0.00 2.07 -1.09 -0.74 116.25 117.51 1rxs h VAL 2078Ca 0.17 -0.55 0.07 0.00 0.82 0.00 0.00 66.70 67.20 1rxs h VAL 2078Cb 0.17 1.40 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 1rxs h VAL 2078CO -0.20 0.16 0.04 -0.08 0.02 0.00 0.00 177.57 177.51 1rxs h GLU 2079N -0.06 0.15 -0.03 1.57 4.57 -1.15 0.14 114.58 119.76 1rxs h GLU 2079Ca 0.03 -0.01 -0.20 0.00 -1.18 0.00 0.00 59.36 58.00 1rxs h GLU 2079Cb 0.23 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 1rxs h GLU 2079CO -0.00 0.10 -0.83 0.93 -1.18 0.00 0.00 179.01 178.03 1rxs h GLU 2080N 0.15 0.31 -0.62 1.92 5.08 -1.17 -1.29 114.58 118.96 1rxs h GLU 2080Ca 0.19 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 1rxs h GLU 2080Cb 0.25 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1rxs h GLU 2080CO -0.28 0.98 0.21 -0.07 -1.00 0.00 0.00 179.01 178.85 1rxs h LEU 2081N 0.19 0.89 -0.73 1.33 3.38 -0.91 -1.65 115.31 117.81 1rxs h LEU 2081Ca -0.05 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1rxs h LEU 2081Cb 1.43 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.91 1rxs h LEU 2081CO 0.13 0.85 0.46 0.00 0.09 0.00 0.00 178.44 179.98 1rxs h ALA 2082N 1.08 0.93 -0.86 1.53 0.00 -0.40 -1.02 119.26 120.52 1rxs h ALA 2082Ca 0.20 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1rxs h ALA 2082Cb 0.26 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1rxs h ALA 2082CO -0.01 0.38 0.56 1.96 0.00 0.00 0.00 179.25 182.14 1rxs h GLN 2083N 1.00 0.97 0.00 0.00 4.20 -0.95 -0.63 115.11 119.70 1rxs h GLN 2083Ca 0.27 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.92 1rxs h GLN 2083Cb -0.07 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.49 1rxs h GLN 2083CO -0.05 0.64 0.00 1.28 -0.67 0.00 0.00 178.83 180.03 1rxs n LEU 2084N -4.47 0.02 0.00 1.46 4.32 -0.62 -4.90 117.00 112.81 1rxs n LEU 2084Ca 0.12 0.50 0.00 0.00 -0.02 0.00 0.00 56.01 56.62 1rxs n LEU 2084Cb 0.17 -0.50 0.00 0.00 -1.62 0.00 0.00 43.42 41.48 1rxs n LEU 2084CO 0.34 -0.08 0.00 0.61 -1.22 0.00 0.00 177.39 177.04 1rxs n GLY 2085N 1.07 1.05 3.74 -0.72 0.00 -0.24 -4.79 105.19 105.30 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 -2.00 3.19 0.00 -0.61 -1.09 -0.48 -4.48 121.20 115.73 1rxs s ILE 2086Ca 0.00 1.03 0.00 0.00 -2.23 0.00 0.00 60.65 59.45 1rxs s ILE 2086Cb 0.00 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.22 1rxs s ILE 2086CO 0.00 0.18 0.00 0.54 -1.23 0.00 0.00 174.94 174.43 1rxs n ARG 2087N 2.21 4.49 -3.98 2.79 5.12 0.13 -4.20 116.66 123.22 1rxs n ARG 2087Ca 0.04 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.74 1rxs n ARG 2087Cb 0.43 -0.38 -0.17 0.00 -1.16 0.00 0.00 32.46 31.18 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 -0.73 0.54 -0.17 0.55 2.01 -0.85 -1.33 115.64 115.67 1rxs s THR 2088Ca 0.00 -0.05 0.01 0.00 0.31 0.00 0.00 61.69 61.96 1rxs s THR 2088Cb 0.00 -0.62 0.02 0.00 0.01 0.00 0.00 72.50 71.91 1rxs s THR 2088CO 0.00 0.26 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.66 1rxs s PHE 2089N 1.43 2.56 -0.31 4.92 0.08 0.39 -0.62 117.98 126.42 1rxs s PHE 2089Ca -0.03 -1.52 -0.07 0.00 0.12 0.00 0.00 56.93 55.44 1rxs s PHE 2089Cb -0.13 -1.79 0.02 0.00 -0.57 0.00 0.00 43.02 40.55 1rxs s PHE 2089CO -0.03 -0.76 0.10 -0.51 -0.10 0.00 0.00 175.22 173.92 1rxs s LEU 2090N 1.36 4.04 0.06 -0.37 1.43 0.11 -1.09 118.68 124.22 1rxs s LEU 2090Ca 0.04 -0.84 -0.22 0.00 -1.03 0.00 0.00 54.13 52.08 1rxs s LEU 2090Cb -0.13 -1.89 -0.06 0.00 0.03 0.00 0.00 46.19 44.14 1rxs s LEU 2090CO -0.12 -0.24 0.65 -0.60 0.23 0.00 0.00 176.35 176.27 1rxs s ARG 2091N 1.48 4.36 -0.14 1.70 3.52 -0.11 -0.42 118.95 129.34 1rxs s ARG 2091Ca 0.01 0.87 0.00 0.00 -0.13 0.00 0.00 55.73 56.49 1rxs s ARG 2091Cb -0.18 -3.30 0.03 0.00 -1.56 0.00 0.00 34.95 29.94 1rxs s ARG 2091CO 0.03 0.48 -0.11 -1.50 -0.81 0.00 0.00 175.30 173.39 1rxs s ILE 2092N -0.65 1.36 0.36 4.11 -1.16 -1.20 -1.58 121.20 122.45 1rxs s ILE 2092Ca 0.33 -0.55 0.04 0.00 -0.51 0.00 0.00 60.65 59.95 1rxs s ILE 2092Cb -0.20 -1.34 -0.03 0.00 0.61 0.00 0.00 42.46 41.50 1rxs s ILE 2092CO 0.20 0.38 0.15 -0.83 -2.81 0.00 0.00 174.94 172.03 1rxs s GLY 2093N 1.56 2.38 0.14 1.50 0.00 -0.55 -3.95 107.32 108.40 1rxs s GLY 2093Ca 0.04 -1.55 0.05 0.00 0.00 0.00 0.00 44.72 43.27 1rxs s GLY 2093CO -0.09 -1.72 0.05 -0.51 0.00 0.00 0.00 173.10 170.83 1rxs s THR 2094N -3.36 4.14 0.09 0.90 -4.23 -1.26 -0.97 115.64 110.95 1rxs s THR 2094Ca 0.30 -1.12 -0.14 0.00 -1.18 0.00 0.00 61.69 59.55 1rxs s THR 2094Cb 0.04 -3.05 0.02 0.00 1.34 0.00 0.00 72.50 70.85 1rxs s THR 2094CO 0.17 -0.02 0.34 0.28 -0.54 0.00 0.00 174.62 174.85 1rxs s THR 2095N -1.58 0.09 -0.22 3.99 -1.32 -0.66 -4.86 115.64 111.08 1rxs s THR 2095Ca 0.28 -0.72 -0.07 0.00 -1.21 0.00 0.00 61.69 59.97 1rxs s THR 2095Cb -0.11 -1.14 -0.03 0.00 -1.51 0.00 0.00 72.50 69.71 1rxs s THR 2095CO 0.20 -0.40 0.06 -0.83 -2.21 0.00 0.00 174.62 171.45 1rxs s GLY 2096N -2.60 1.80 0.33 6.08 0.00 -1.07 -0.85 107.32 111.01 1rxs s GLY 2096Ca 0.01 -1.00 -0.26 0.00 0.00 0.00 0.00 44.72 43.47 1rxs s GLY 2096CO -0.09 0.36 0.99 0.00 0.00 0.00 0.00 173.10 174.36 1rxs s ALA 2097N 1.19 3.22 -0.64 3.20 0.00 0.15 -1.45 121.76 127.42 1rxs s ALA 2097Ca 0.04 0.62 0.06 0.00 0.00 0.00 0.00 51.96 52.68 1rxs s ALA 2097Cb -0.14 -3.22 0.09 0.00 0.00 0.00 0.00 23.12 19.84 1rxs s ALA 2097CO 0.03 0.05 0.84 0.44 0.00 0.00 0.00 175.76 177.12 1rxs n ILE 2098N 0.58 0.35 -3.95 0.00 -5.35 0.65 -0.08 119.36 111.57 1rxs n ILE 2098Ca 0.02 -0.68 -0.37 0.00 -0.27 0.00 0.00 62.75 61.45 1rxs n ILE 2098Cb 0.49 0.90 -0.06 0.00 -1.74 0.00 0.00 39.64 39.23 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 -0.67 3.38 0.55 6.28 -1.52 -1.23 -4.70 119.66 121.75 1rxs s GLN 2099Ca 0.09 -0.17 0.31 0.00 -1.95 0.00 0.00 55.36 53.64 1rxs s GLN 2099Cb 0.05 -3.14 1.59 0.00 -0.22 0.00 0.00 33.01 31.30 1rxs s GLN 2099CO 0.08 0.77 2.10 -1.00 -0.25 0.00 0.00 175.29 176.98 1rxs h PRO 2100N 5.02 0.00 -0.00 2.91 0.13 -1.96 -2.93 132.00 135.16 1rxs h PRO 2100Ca -0.54 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1rxs h PRO 2100Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1rxs h PRO 2100CO 0.58 0.08 -0.36 -2.39 -0.23 0.00 0.00 178.00 175.68 1rxs n HIS 2101N -3.43 0.00 -3.27 1.56 1.44 -1.26 -4.81 115.22 105.45 1rxs n HIS 2101Ca -0.01 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.31 1rxs n HIS 2101Cb 0.23 -0.20 -0.06 0.00 0.12 0.00 0.00 29.99 30.07 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 -2.76 5.14 0.14 0.61 1.01 -1.11 -5.05 121.20 119.17 1rxs s ILE 2102Ca 0.18 0.97 0.03 0.00 0.00 0.00 0.00 60.65 61.83 1rxs s ILE 2102Cb 0.18 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 1rxs s ILE 2102CO 0.61 0.24 0.22 0.20 0.00 0.00 0.00 174.94 176.21 1rxs s ASN 2103N 0.91 6.05 0.15 3.58 0.01 -1.26 -4.88 114.94 119.51 1rxs s ASN 2103Ca 0.25 0.08 -0.33 0.00 -0.71 0.00 0.00 52.86 52.15 1rxs s ASN 2103Cb -0.15 -1.75 -0.13 0.00 0.41 0.00 0.00 41.25 39.62 1rxs s ASN 2103CO 0.10 0.08 1.63 0.52 -1.51 0.00 0.00 177.10 177.92 1rxs n VAL 2104N -0.33 0.05 0.00 1.60 0.31 -1.26 -1.38 118.33 117.32 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 0.54 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 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 3.59 2.48 3.74 2.92 0.00 -0.06 -5.00 105.19 112.87 1rxs n GLY 2105Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.42 4.19 -0.15 1.61 1.01 -0.48 -4.69 116.67 116.75 1rxs s ASP 2106Ca 0.00 1.97 -0.03 0.00 0.71 0.00 0.00 52.55 55.20 1rxs s ASP 2106Cb 0.00 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 1rxs s ASP 2106CO 0.00 -2.25 -0.04 -0.69 0.21 0.00 0.00 175.17 172.40 1rxs s VAL 2107N -2.70 3.87 -0.15 -1.27 1.01 -0.71 -1.12 120.40 119.34 1rxs s VAL 2107Ca 0.64 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.26 1rxs s VAL 2107Cb -0.20 -2.69 -0.00 0.00 0.00 0.00 0.00 36.38 33.49 1rxs s VAL 2107CO 0.54 0.50 -0.16 -0.76 0.00 0.00 0.00 175.10 175.22 1rxs s LEU 2108N 0.27 2.47 -0.21 3.92 1.43 0.12 -1.25 118.68 125.43 1rxs s LEU 2108Ca -0.03 -0.46 -0.05 0.00 -1.03 0.00 0.00 54.13 52.55 1rxs s LEU 2108Cb -0.14 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.50 1rxs s LEU 2108CO 0.03 0.09 0.01 -0.69 0.23 0.00 0.00 176.35 176.03 1rxs s VAL 2109N 0.76 4.01 -0.22 -1.59 1.01 -0.15 -1.12 120.40 123.10 1rxs s VAL 2109Ca -0.06 -0.29 -0.20 0.00 0.00 0.00 0.00 61.98 61.42 1rxs s VAL 2109Cb -0.15 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 1rxs s VAL 2109CO 0.01 0.41 0.62 -0.89 0.00 0.00 0.00 175.10 175.25 1rxs s THR 2110N 1.13 5.02 0.04 3.92 2.01 -0.68 -1.71 115.64 125.35 1rxs s THR 2110Ca 0.03 1.14 -0.05 0.00 0.31 0.00 0.00 61.69 63.12 1rxs s THR 2110Cb -0.14 -3.93 -0.29 0.00 0.01 0.00 0.00 72.50 68.14 1rxs s THR 2110CO 0.02 0.09 0.99 0.71 -0.69 0.00 0.00 174.62 175.74 1rxs h THR 2111N 5.25 1.31 -2.52 -0.82 1.35 -1.02 -3.42 112.91 113.05 1rxs h THR 2111Ca -0.30 -2.89 0.07 0.00 -0.55 0.00 0.00 66.41 62.74 1rxs h THR 2111Cb 1.14 2.88 -0.14 0.00 -1.73 0.00 0.00 68.15 70.30 1rxs h THR 2111CO 0.77 0.85 0.40 0.00 -0.25 0.00 0.00 175.52 177.29 1rxs s ALA 2112N -2.63 -1.74 0.03 6.62 0.00 -1.26 -0.52 121.76 122.27 1rxs s ALA 2112Ca -0.07 0.79 0.09 0.00 0.00 0.00 0.00 51.96 52.76 1rxs s ALA 2112Cb 0.07 0.58 -0.03 0.00 0.00 0.00 0.00 23.12 23.74 1rxs s ALA 2112CO 0.88 -0.74 -0.24 -1.12 0.00 0.00 0.00 175.76 174.54 1rxs s SER 2113N -2.59 3.30 -0.06 0.00 0.01 0.34 -2.25 113.70 112.44 1rxs s SER 2113Ca 0.04 -0.53 -0.30 0.00 1.31 0.00 0.00 55.95 56.47 1rxs s SER 2113Cb -0.01 -0.37 -0.04 0.00 0.21 0.00 0.00 66.02 65.80 1rxs s SER 2113CO -0.09 0.27 1.45 -0.69 0.41 0.00 0.00 173.24 174.59 1rxs s VAL 2114N -0.80 3.81 -1.21 3.43 1.01 0.17 -4.34 120.40 122.47 1rxs s VAL 2114Ca 0.12 1.07 -0.19 0.00 0.00 0.00 0.00 61.98 62.99 1rxs s VAL 2114Cb -0.10 -3.69 0.08 0.00 0.00 0.00 0.00 36.38 32.66 1rxs s VAL 2114CO 0.02 -0.06 1.62 -0.13 0.00 0.00 0.00 175.10 176.56 1rxs s ARG 2115N 3.25 3.89 -0.53 2.72 0.52 -1.26 -1.72 118.95 125.81 1rxs s ARG 2115Ca 0.65 -1.82 0.01 0.00 -0.52 0.00 0.00 55.73 54.05 1rxs s ARG 2115Cb -0.30 -5.43 0.56 0.00 0.52 0.00 0.00 34.95 30.30 1rxs s ARG 2115CO 0.24 -2.19 1.96 1.28 0.02 0.00 0.00 175.30 176.61 1rxs n LEU 2116N 8.23 7.09 -4.66 2.53 4.77 -0.21 -4.95 117.00 129.80 1rxs n LEU 2116Ca 0.43 -3.85 -0.29 0.00 -0.03 0.00 0.00 56.01 52.27 1rxs n LEU 2116Cb 0.47 -0.90 -0.10 0.00 -2.33 0.00 0.00 43.42 40.57 1rxs n LEU 2116CO 0.72 1.22 -0.27 1.51 -1.33 0.00 0.00 177.39 179.24 1rxs s ASP 2117N -1.45 3.83 -0.19 -1.43 3.84 -1.21 -1.53 116.67 118.53 1rxs s ASP 2117Ca 0.59 -1.49 0.16 0.00 -0.00 0.00 0.00 52.55 51.81 1rxs s ASP 2117Cb 0.48 0.00 -0.23 0.00 -1.38 0.00 0.00 42.92 41.80 1rxs s ASP 2117CO 0.06 -0.63 0.05 0.61 -0.00 0.00 0.00 175.17 175.25 1rxs n GLY 2118N -1.06 -0.89 0.18 2.12 0.00 -1.26 -4.62 105.19 99.67 1rxs n GLY 2118Ca -0.10 -0.30 -0.03 0.00 0.00 0.00 0.00 46.02 45.59 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 0.87 1.03 -0.80 4.61 0.00 -1.98 -2.84 119.26 120.16 1rxs h ALA 2119Ca -0.51 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 53.95 1rxs h ALA 2119Cb 2.13 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.79 1rxs h ALA 2119CO 0.02 0.64 0.52 0.66 0.00 0.00 0.00 179.25 181.09 1rxs h SER 2120N 0.18 0.92 -0.07 0.00 4.64 -1.85 0.82 113.55 118.19 1rxs h SER 2120Ca 0.01 -0.03 0.02 0.00 -0.47 0.00 0.00 61.79 61.32 1rxs h SER 2120Cb 0.92 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1rxs h SER 2120CO 0.07 0.68 0.23 -0.07 -0.87 0.00 0.00 176.83 176.87 1rxs h LEU 2121N 1.09 0.00 -0.10 5.97 3.38 -1.60 -0.21 115.31 123.84 1rxs h LEU 2121Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1rxs h LEU 2121Cb -0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1rxs h LEU 2121CO -0.06 0.00 -0.05 1.41 0.09 0.00 0.00 178.44 179.83 1rxs n HIS 2122N -3.19 0.00 -0.02 1.13 8.25 0.28 -3.83 115.22 117.84 1rxs n HIS 2122Ca -0.01 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.42 1rxs n HIS 2122Cb 0.31 -0.21 -0.02 0.00 1.12 0.00 0.00 29.99 31.19 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 -1.11 0.00 -3.71 4.41 3.72 -0.15 -5.07 117.46 115.55 1rxs n PHE 2123Ca 0.15 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.41 1rxs n PHE 2123Cb 0.24 -0.18 -0.08 0.00 -0.94 0.00 0.00 39.48 38.52 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 -2.09 -1.01 0.99 4.37 0.00 -0.82 -5.02 121.76 118.17 1rxs s ALA 2124Ca -0.05 0.63 -0.12 0.00 0.00 0.00 0.00 51.96 52.42 1rxs s ALA 2124Cb 0.02 -0.04 0.18 0.00 0.00 0.00 0.00 23.12 23.28 1rxs s ALA 2124CO 0.11 -0.27 1.08 -1.25 0.00 0.00 0.00 175.76 175.43 1rxs s PRO 2125N -1.09 0.48 0.46 0.00 0.04 -1.26 -3.82 135.00 129.81 1rxs s PRO 2125Ca -0.11 0.97 0.11 0.00 0.04 0.00 0.00 61.00 62.01 1rxs s PRO 2125Cb -0.04 -1.71 1.05 0.00 0.04 0.00 0.00 34.50 33.85 1rxs s PRO 2125CO 0.05 -2.82 2.10 1.25 0.04 0.00 0.00 177.00 177.62 1rxs h LEU 2126N -1.98 0.25 -0.90 -3.56 5.85 -1.94 -1.65 115.31 111.39 1rxs h LEU 2126Ca -0.52 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.19 1rxs h LEU 2126Cb 1.30 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1rxs h LEU 2126CO 0.51 0.18 0.00 -1.84 -0.34 0.00 0.00 178.44 176.94 1rxs n GLU 2127N -4.50 0.13 -2.82 1.25 0.00 -1.26 -4.67 120.64 108.77 1rxs n GLU 2127Ca 0.00 0.52 -0.41 0.00 0.00 0.00 0.00 57.16 57.27 1rxs n GLU 2127Cb 0.07 -1.84 -0.04 0.00 0.00 0.00 0.00 31.44 29.64 1rxs n GLU 2127CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.13 177.25 1rxs s PHE 2128N -3.36 3.70 0.12 -1.84 5.36 -0.62 -5.00 117.98 116.33 1rxs s PHE 2128Ca 0.01 1.61 -0.31 0.00 -0.96 0.00 0.00 56.93 57.29 1rxs s PHE 2128Cb 0.07 -3.00 -0.07 0.00 -0.34 0.00 0.00 43.02 39.67 1rxs s PHE 2128CO 0.25 0.11 1.31 -1.25 -1.46 0.00 0.00 175.22 174.18 1rxs s PRO 2129N 0.54 4.37 -1.35 10.12 0.04 -1.26 -4.92 135.00 142.54 1rxs s PRO 2129Ca 0.46 1.97 -0.15 0.00 0.04 0.00 0.00 61.00 63.32 1rxs s PRO 2129Cb -0.21 -3.27 0.01 0.00 0.04 0.00 0.00 34.50 31.07 1rxs s PRO 2129CO 0.26 -0.34 2.18 0.00 0.04 0.00 0.00 177.00 179.14 1rxs n ALA 2130N 3.67 5.17 -2.81 8.56 0.00 -1.26 -4.77 120.51 129.07 1rxs n ALA 2130Ca 0.10 -3.79 -0.36 0.00 0.00 0.00 0.00 53.44 49.39 1rxs n ALA 2130Cb 0.44 -3.56 -0.07 0.00 0.00 0.00 0.00 19.45 16.26 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 3.51 5.22 0.59 0.00 0.11 -1.26 -0.51 120.40 128.06 1rxs s VAL 2131Ca 0.49 0.11 -0.16 0.00 -2.93 0.00 0.00 61.98 59.48 1rxs s VAL 2131Cb 0.14 -3.30 -0.04 0.00 -1.53 0.00 0.00 36.38 31.65 1rxs s VAL 2131CO -0.05 0.56 1.07 0.00 -3.33 0.00 0.00 175.10 173.34 1rxs s ALA 2132N -0.50 2.70 0.28 1.54 0.00 0.32 -4.66 121.76 121.44 1rxs s ALA 2132Ca 0.11 0.49 -0.30 0.00 0.00 0.00 0.00 51.96 52.26 1rxs s ALA 2132Cb -0.12 -3.26 -0.10 0.00 0.00 0.00 0.00 23.12 19.64 1rxs s ALA 2132CO 0.02 -0.83 1.43 0.34 0.00 0.00 0.00 175.76 176.71 1rxs s ASP 2133N -2.56 6.64 0.14 0.00 -1.08 -0.06 -4.92 116.67 114.82 1rxs s ASP 2133Ca 0.65 2.72 -0.15 0.00 -0.52 0.00 0.00 52.55 55.25 1rxs s ASP 2133Cb -0.18 -2.63 0.00 0.00 -1.46 0.00 0.00 42.92 38.66 1rxs s ASP 2133CO 0.35 -0.69 1.65 0.15 0.52 0.00 0.00 175.17 177.15 1rxs h PHE 2134N 4.55 0.70 -0.56 -5.34 3.04 -1.95 -0.39 116.94 116.99 1rxs h PHE 2134Ca -0.47 -0.07 0.00 0.00 3.98 0.00 0.00 57.97 61.41 1rxs h PHE 2134Cb 1.22 -0.20 -0.03 0.00 2.56 0.00 0.00 35.95 39.50 1rxs h PHE 2134CO 0.59 0.64 0.36 0.93 -2.02 0.00 0.00 178.31 178.81 1rxs h GLU 2135N 0.56 0.74 -0.20 1.11 5.08 -1.96 0.53 114.58 120.44 1rxs h GLU 2135Ca 0.14 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1rxs h GLU 2135Cb 0.28 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1rxs h GLU 2135CO -0.00 0.50 0.10 0.00 -1.00 0.00 0.00 179.01 178.61 1rxs h THR 2137N 0.19 1.18 0.41 0.00 2.02 -0.99 -0.07 112.91 115.65 1rxs h THR 2137Ca 0.07 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 66.85 1rxs h THR 2137Cb 0.11 -0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.49 1rxs h THR 2137CO -0.01 0.20 -0.24 0.74 0.37 0.00 0.00 175.52 176.59 1rxs h THR 2138N 1.11 0.51 -0.54 3.16 2.02 -0.55 -0.30 112.91 118.32 1rxs h THR 2138Ca 0.33 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.61 1rxs h THR 2138Cb -0.07 0.51 -0.10 0.00 -1.74 0.00 0.00 68.15 66.76 1rxs h THR 2138CO -0.09 0.00 -0.06 0.00 0.37 0.00 0.00 175.52 175.74 1rxs h ALA 2139N -0.04 0.44 -0.19 6.16 0.00 -0.70 0.23 119.26 125.16 1rxs h ALA 2139Ca -0.05 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1rxs h ALA 2139Cb 0.49 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1rxs h ALA 2139CO 0.06 -0.42 0.10 -0.07 0.00 0.00 0.00 179.25 178.92 1rxs h LEU 2140N 0.06 0.24 -0.01 0.00 3.38 -0.71 0.27 115.31 118.54 1rxs h LEU 2140Ca 0.27 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1rxs h LEU 2140Cb 0.42 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1rxs h LEU 2140CO -0.50 0.26 0.00 0.58 0.09 0.00 0.00 178.44 178.87 1rxs h VAL 2141N 0.20 1.02 -0.79 1.22 2.07 -0.40 -0.41 116.25 119.16 1rxs h VAL 2141Ca 0.07 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 1rxs h VAL 2141Cb 0.08 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1rxs h VAL 2141CO -0.01 0.01 0.40 -0.33 0.02 0.00 0.00 177.57 177.66 1rxs h GLU 2142N -0.01 1.13 -0.22 1.57 5.08 -0.42 -1.52 114.58 120.18 1rxs h GLU 2142Ca 0.00 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1rxs h GLU 2142Cb 0.02 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1rxs h GLU 2142CO -0.00 0.86 0.12 0.00 -1.00 0.00 0.00 179.01 178.99 1rxs h ALA 2143N 1.21 0.27 -0.97 3.43 0.00 -0.14 -2.23 119.26 120.82 1rxs h ALA 2143Ca 0.27 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1rxs h ALA 2143Cb 0.09 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1rxs h ALA 2143CO -0.04 -0.29 0.64 0.00 0.00 0.00 0.00 179.25 179.56 1rxs h ALA 2144N 1.11 1.35 -0.60 0.00 0.00 -0.78 -2.39 119.26 117.95 1rxs h ALA 2144Ca 0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1rxs h ALA 2144Cb 0.01 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 1rxs h ALA 2144CO -0.05 0.58 0.35 -0.22 0.00 0.00 0.00 179.25 179.91 1rxs h LYS 2145N 1.26 0.81 0.00 0.00 1.63 -0.90 -2.12 116.57 117.26 1rxs h LYS 2145Ca 0.38 -0.08 -0.12 0.00 -0.85 0.00 0.00 60.65 59.98 1rxs h LYS 2145Cb -0.05 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.39 1rxs h LYS 2145CO -0.10 0.59 -0.56 0.66 -3.45 0.00 0.00 179.45 176.59 1rxs h SER 2146N 0.81 0.00 -0.01 4.20 4.64 -0.93 -2.57 113.55 119.69 1rxs h SER 2146Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1rxs h SER 2146Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1rxs h SER 2146CO -0.04 0.56 -0.02 2.30 -0.87 0.00 0.00 176.83 178.76 1rxs n ILE 2147N -3.77 0.00 -1.53 0.95 -5.35 -0.98 -4.97 119.36 103.71 1rxs n ILE 2147Ca -0.01 -0.31 -0.14 0.00 -0.27 0.00 0.00 62.75 62.03 1rxs n ILE 2147Cb 0.58 0.77 -0.05 0.00 -1.74 0.00 0.00 39.64 39.20 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 1.23 1.17 3.77 3.28 0.00 -0.82 -5.00 105.19 108.82 1rxs n GLY 2148Ca 0.17 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.53 3.11 -0.05 4.61 0.00 -1.09 -4.99 121.76 120.82 1rxs s ALA 2149Ca 0.00 1.04 -0.30 0.00 0.00 0.00 0.00 51.96 52.70 1rxs s ALA 2149Cb 0.00 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 1rxs s ALA 2149CO 0.00 -0.67 1.17 0.95 0.00 0.00 0.00 175.76 177.21 1rxs s THR 2150N -1.41 4.33 -0.03 0.00 -4.23 -1.26 -4.75 115.64 108.29 1rxs s THR 2150Ca 0.59 1.65 0.03 0.00 -1.18 0.00 0.00 61.69 62.78 1rxs s THR 2150Cb -0.32 -4.06 0.00 0.00 1.34 0.00 0.00 72.50 69.46 1rxs s THR 2150CO 0.40 0.01 -0.11 -0.89 -0.54 0.00 0.00 174.62 173.49 1rxs s THR 2151N 2.10 0.93 -0.04 3.99 2.01 -1.26 -1.73 115.64 121.65 1rxs s THR 2151Ca 0.55 -0.44 0.06 0.00 0.31 0.00 0.00 61.69 62.17 1rxs s THR 2151Cb -0.24 -0.82 -0.02 0.00 0.01 0.00 0.00 72.50 71.43 1rxs s THR 2151CO 0.22 0.28 -0.22 -1.00 -0.69 0.00 0.00 174.62 173.21 1rxs s HIS 2152N 0.16 2.46 -0.13 4.92 3.76 -0.38 -4.99 115.29 121.08 1rxs s HIS 2152Ca -0.03 -0.40 0.02 0.00 -0.15 0.00 0.00 55.06 54.50 1rxs s HIS 2152Cb -0.09 -1.56 0.00 0.00 1.11 0.00 0.00 32.58 32.04 1rxs s HIS 2152CO 0.01 0.00 -0.20 0.08 -0.85 0.00 0.00 174.74 173.78 1rxs s VAL 2153N -0.57 2.36 -2.39 -0.90 1.01 -1.26 -0.98 120.40 117.67 1rxs s VAL 2153Ca 0.08 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1rxs s VAL 2153Cb -0.11 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.32 1rxs s VAL 2153CO 0.00 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1rxs n GLY 2154N 3.83 -0.58 3.80 4.51 0.00 -0.70 -4.96 105.19 111.10 1rxs n GLY 2154Ca -0.19 -0.72 -0.38 0.00 0.00 0.00 0.00 46.02 44.73 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 -3.36 4.50 -0.04 1.61 1.01 -1.26 -0.34 120.40 122.52 1rxs s VAL 2155Ca 0.00 1.47 0.06 0.00 0.00 0.00 0.00 61.98 63.51 1rxs s VAL 2155Cb 0.00 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 1rxs s VAL 2155CO 0.00 0.41 -0.24 -0.89 0.00 0.00 0.00 175.10 174.38 1rxs s THR 2156N -1.28 1.94 -0.20 3.92 2.01 -0.95 -0.73 115.64 120.35 1rxs s THR 2156Ca 0.37 -1.02 -0.20 0.00 0.31 0.00 0.00 61.69 61.15 1rxs s THR 2156Cb -0.20 -1.63 -0.03 0.00 0.01 0.00 0.00 72.50 70.65 1rxs s THR 2156CO 0.23 0.54 0.60 0.00 -0.69 0.00 0.00 174.62 175.31 1rxs s ALA 2157N -0.30 3.54 -0.30 7.40 0.00 0.43 0.42 121.76 132.96 1rxs s ALA 2157Ca 0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 51.96 51.64 1rxs s ALA 2157Cb -0.12 -2.94 0.05 0.00 0.00 0.00 0.00 23.12 20.11 1rxs s ALA 2157CO 0.02 -0.54 0.00 0.45 0.00 0.00 0.00 175.76 175.69 1rxs s SER 2158N 1.20 4.89 -0.11 0.00 0.15 -0.70 -1.71 113.70 117.42 1rxs s SER 2158Ca 0.27 -1.23 -0.01 0.00 0.70 0.00 0.00 55.95 55.69 1rxs s SER 2158Cb -0.16 -1.72 -0.03 0.00 -1.71 0.00 0.00 66.02 62.40 1rxs s SER 2158CO 0.10 -0.26 -0.07 -0.55 1.20 0.00 0.00 173.24 173.66 1rxs s SER 2159N 1.27 4.54 0.00 5.45 0.15 0.55 -1.05 113.70 124.62 1rxs s SER 2159Ca -0.05 -0.14 0.11 0.00 0.70 0.00 0.00 55.95 56.58 1rxs s SER 2159Cb -0.20 -1.48 0.49 0.00 -1.71 0.00 0.00 66.02 63.12 1rxs s SER 2159CO -0.01 0.25 1.30 0.47 1.20 0.00 0.00 173.24 176.45 1rxs n ASP 2160N 3.00 0.00 -4.21 5.45 9.92 -0.58 -4.40 116.55 125.73 1rxs n ASP 2160Ca -0.18 0.36 -0.16 0.00 -0.53 0.00 0.00 54.79 54.28 1rxs n ASP 2160Cb 0.53 -0.42 -0.11 0.00 -0.64 0.00 0.00 41.12 40.48 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 -2.83 1.12 -0.05 -3.53 -4.23 -1.26 -5.00 115.64 99.85 1rxs s THR 2161Ca 0.07 -1.75 0.07 0.00 -1.18 0.00 0.00 61.69 58.90 1rxs s THR 2161Cb 0.07 -1.51 -0.24 0.00 1.34 0.00 0.00 72.50 72.16 1rxs s THR 2161CO 0.18 -0.55 0.62 0.15 -0.54 0.00 0.00 174.62 174.49 1rxs h PHE 2162N 3.39 0.14 0.00 3.99 3.57 -1.97 -3.38 116.94 122.68 1rxs h PHE 2162Ca -0.38 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.02 1rxs h PHE 2162Cb 1.19 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1rxs h PHE 2162CO 0.64 1.21 0.00 0.66 -2.23 0.00 0.00 178.31 178.59 1rxs n TYR 2163N -3.18 0.00 -0.32 0.41 4.01 -1.26 -4.30 117.16 112.52 1rxs n TYR 2163Ca -0.20 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.51 1rxs n TYR 2163Cb 1.05 0.00 0.11 0.00 -0.31 0.00 0.00 39.34 40.19 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 1.23 0.00 -0.72 0.13 -1.87 -1.21 132.00 129.56 1rxs h PRO 2164Ca 0.00 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1rxs h PRO 2164Cb 0.00 -0.24 0.00 0.00 0.13 0.00 0.00 31.00 30.89 1rxs h PRO 2164CO 0.00 0.89 0.00 0.41 -0.23 0.00 0.00 178.00 179.07 1rxs n GLY 2165N -1.16 -1.19 0.99 1.56 0.00 -1.26 -0.07 105.19 104.06 1rxs n GLY 2165Ca 0.09 0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.32 1rxs n GLY 2165CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rxs n GLN 2166N -2.29 3.10 -4.13 1.61 6.02 -0.72 -4.91 117.38 116.05 1rxs n GLN 2166Ca 0.01 -2.88 -0.30 0.00 -0.01 0.00 0.00 57.00 53.82 1rxs n GLN 2166Cb 0.18 -1.89 -0.04 0.00 1.02 0.00 0.00 30.24 29.51 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 -0.42 -2.63 -2.88 -1.09 2.13 0.90 -4.94 120.64 111.71 1rxs n GLU 2167Ca 0.22 0.32 -0.40 0.00 0.66 0.00 0.00 57.16 57.96 1rxs n GLU 2167Cb 0.92 -4.49 -0.06 0.00 0.27 0.00 0.00 31.44 28.09 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 -6.86 4.67 -0.03 5.31 0.52 -0.54 -4.98 118.95 117.03 1rxs s ARG 2168Ca 0.24 1.29 0.13 0.00 -0.52 0.00 0.00 55.73 56.86 1rxs s ARG 2168Cb -0.13 -3.29 -0.20 0.00 0.52 0.00 0.00 34.95 31.84 1rxs s ARG 2168CO 0.93 0.48 0.27 0.66 0.02 0.00 0.00 175.30 177.66 1rxs n TYR 2169N 1.85 0.00 -2.04 -0.53 4.01 -1.26 -4.48 117.16 114.72 1rxs n TYR 2169Ca -0.03 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.34 1rxs n TYR 2169Cb 0.48 -0.34 -0.04 0.00 -0.31 0.00 0.00 39.34 39.14 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 -2.01 3.64 -3.65 7.72 10.43 -1.26 -4.03 116.55 127.39 1rxs n ASP 2170Ca -0.04 -2.78 -0.20 0.00 2.57 0.00 0.00 54.79 54.34 1rxs n ASP 2170Cb 0.40 -1.63 -0.08 0.00 1.84 0.00 0.00 41.12 41.65 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 7.15 0.15 0.21 -3.53 -4.23 -1.26 -4.99 115.64 109.13 1rxs s THR 2171Ca 0.60 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 59.02 1rxs s THR 2171Cb 0.05 -2.47 0.15 0.00 1.34 0.00 0.00 72.50 71.57 1rxs s THR 2171CO 0.09 0.00 1.81 0.22 -0.54 0.00 0.00 174.62 176.20 1rxs h TYR 2172N 2.12 0.70 0.01 3.99 3.20 -1.98 -3.10 116.97 121.91 1rxs h TYR 2172Ca -0.29 0.02 -0.32 0.00 3.14 0.00 0.00 58.73 61.29 1rxs h TYR 2172Cb 1.24 -0.22 -0.05 0.00 1.54 0.00 0.00 36.73 39.24 1rxs h TYR 2172CO 1.47 0.34 -1.90 -1.13 -1.64 0.00 0.00 178.16 175.30 1rxs n SER 2173N -4.77 0.73 0.00 -2.11 3.41 -1.26 -4.98 113.62 104.64 1rxs n SER 2173Ca 0.08 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 1rxs n SER 2173Cb 0.17 0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 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 1.63 0.44 3.80 5.00 0.00 -1.17 -5.01 105.19 109.88 1rxs n GLY 2174Ca -0.22 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.61 2.63 -0.05 1.61 1.70 -1.26 -4.89 118.95 118.07 1rxs s ARG 2175Ca 0.00 -1.34 0.03 0.00 -0.47 0.00 0.00 55.73 53.95 1rxs s ARG 2175Cb 0.00 -2.38 0.01 0.00 -0.57 0.00 0.00 34.95 32.01 1rxs s ARG 2175CO 0.00 0.17 -0.12 0.08 -1.08 0.00 0.00 175.30 174.35 1rxs s VAL 2176N -2.31 1.06 0.42 4.99 1.01 -1.26 -4.91 120.40 119.39 1rxs s VAL 2176Ca 0.38 -0.46 -0.23 0.00 0.00 0.00 0.00 61.98 61.67 1rxs s VAL 2176Cb -0.05 -0.96 -0.11 0.00 0.00 0.00 0.00 36.38 35.26 1rxs s VAL 2176CO 0.25 0.33 0.79 0.55 0.00 0.00 0.00 175.10 177.02 1rxs n VAL 2177N 3.62 2.21 -0.36 2.92 3.14 -1.26 -4.57 118.33 124.03 1rxs n VAL 2177Ca -0.21 -0.50 0.01 0.00 -2.96 0.00 0.00 64.34 60.67 1rxs n VAL 2177Cb 0.52 -0.86 0.06 0.00 -1.06 0.00 0.00 33.84 32.51 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 0.30 -0.19 -0.32 1.45 0.63 -1.26 -1.15 116.66 116.11 1rxs n ARG 2178Ca 0.11 1.46 0.21 0.00 -0.92 0.00 0.00 57.85 58.70 1rxs n ARG 2178Cb 0.39 -2.17 0.47 0.00 0.45 0.00 0.00 32.46 31.60 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 0.75 -0.02 -0.14 2.76 -2.03 -1.53 115.15 114.95 1rxs h HIS 2179Ca 0.36 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.55 1rxs h HIS 2179Cb 0.60 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.34 1rxs h HIS 2179CO -0.80 0.09 -0.25 1.19 -1.30 0.00 0.00 177.93 176.85 1rxs n PHE 2180N -4.67 0.00 -1.88 5.26 3.01 -0.30 -4.80 117.46 114.08 1rxs n PHE 2180Ca 0.25 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.29 1rxs n PHE 2180Cb 0.81 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.25 1rxs n PHE 2180CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1rxs s LYS 2181N -2.03 4.17 0.00 -1.08 1.02 -0.58 -1.64 119.74 119.60 1rxs s LYS 2181Ca 0.19 2.36 0.00 0.00 0.02 0.00 0.00 55.97 58.54 1rxs s LYS 2181Cb 0.16 -4.00 0.00 0.00 -0.52 0.00 0.00 37.83 33.47 1rxs s LYS 2181CO 0.40 -0.87 0.00 0.41 -0.92 0.00 0.00 175.35 174.37 1rxs n GLY 2182N 4.26 0.63 0.20 -3.33 0.00 -1.26 -4.94 105.19 100.76 1rxs n GLY 2182Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 0.54 -0.72 1.61 4.64 -1.62 -3.02 113.55 114.98 1rxs h SER 2183Ca 0.00 -0.30 -0.04 0.00 -0.47 0.00 0.00 61.79 60.98 1rxs h SER 2183Cb 0.00 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 61.90 1rxs h SER 2183CO 0.00 1.00 0.29 -0.03 -0.87 0.00 0.00 176.83 177.22 1rxs h MET 2184N 0.37 1.08 -0.45 4.77 -1.53 -1.92 -1.50 114.93 115.75 1rxs h MET 2184Ca 0.00 -0.19 -0.06 0.00 -3.44 0.00 0.00 59.70 56.01 1rxs h MET 2184Cb 1.11 -0.18 -0.02 0.00 -0.55 0.00 0.00 31.60 31.96 1rxs h MET 2184CO 0.10 0.88 0.03 1.49 0.14 0.00 0.00 176.91 179.55 1rxs h GLU 2185N 1.03 0.71 -0.14 0.39 4.81 -1.96 -1.16 114.58 118.27 1rxs h GLU 2185Ca 0.24 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1rxs h GLU 2185Cb 0.20 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1rxs h GLU 2185CO -0.02 0.71 0.04 0.93 -0.73 0.00 0.00 179.01 179.94 1rxs h GLU 2186N 0.68 0.21 -0.82 1.92 4.39 -1.22 -1.93 114.58 117.81 1rxs h GLU 2186Ca 0.14 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.83 1rxs h GLU 2186Cb 0.38 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.95 1rxs h GLU 2186CO 0.01 0.34 0.53 -1.49 -1.16 0.00 0.00 179.01 177.24 1rxs h TRP 2187N 0.04 0.99 -0.46 4.33 -0.00 -1.04 -1.80 115.95 118.01 1rxs h TRP 2187Ca 0.04 0.03 -0.02 0.00 -0.00 0.00 0.00 58.89 58.94 1rxs h TRP 2187Cb 0.21 -0.33 -0.02 0.00 -0.00 0.00 0.00 29.16 29.02 1rxs h TRP 2187CO -0.00 0.57 0.21 1.96 -0.00 0.00 0.00 178.44 181.18 1rxs h GLN 2188N 1.03 0.66 -0.25 0.49 4.20 -1.05 -1.55 115.11 118.65 1rxs h GLN 2188Ca 0.33 -0.10 0.06 0.00 0.06 0.00 0.00 58.65 59.00 1rxs h GLN 2188Cb -0.00 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 1rxs h GLN 2188CO -0.11 0.57 0.18 0.00 -0.67 0.00 0.00 178.83 178.80 1rxs h ALA 2189N 1.06 2.16 -0.07 3.87 0.00 -1.01 -0.47 119.26 124.80 1rxs h ALA 2189Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1rxs h ALA 2189Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1rxs h ALA 2189CO -0.02 -0.23 0.00 -1.33 0.00 0.00 0.00 179.25 177.67 1rxs n MET 2190N -4.48 1.37 -0.85 0.00 2.81 -0.66 -4.91 117.12 110.40 1rxs n MET 2190Ca 0.03 -0.56 0.00 0.00 -1.81 0.00 0.00 57.70 55.36 1rxs n MET 2190Cb 0.29 -1.37 0.00 0.00 -0.71 0.00 0.00 33.22 31.43 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 0.99 0.77 3.73 3.03 0.00 -0.18 -5.01 105.19 108.51 1rxs n GLY 2191Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.93 2.06 0.08 1.61 1.01 -0.72 -4.67 120.40 116.84 1rxs s VAL 2192Ca 0.00 0.04 -0.11 0.00 0.00 0.00 0.00 61.98 61.92 1rxs s VAL 2192Cb 0.00 -3.03 -0.25 0.00 0.00 0.00 0.00 36.38 33.11 1rxs s VAL 2192CO 0.00 0.00 1.18 0.24 0.00 0.00 0.00 175.10 176.53 1rxs h MET 2193N 6.19 0.56 -2.53 2.72 0.00 -1.26 -3.41 114.93 117.20 1rxs h MET 2193Ca -0.44 -0.68 0.13 0.00 0.00 0.00 0.00 59.70 58.71 1rxs h MET 2193Cb 1.21 0.21 -0.09 0.00 0.00 0.00 0.00 31.60 32.93 1rxs h MET 2193CO 0.90 1.28 0.41 0.54 0.00 0.00 0.00 176.91 180.04 1rxs s ASN 2194N -7.28 -0.26 -0.04 1.22 4.22 -1.26 -0.26 114.94 111.29 1rxs s ASN 2194Ca -0.08 -0.35 0.02 0.00 -2.14 0.00 0.00 52.86 50.31 1rxs s ASN 2194Cb 0.07 0.53 -0.03 0.00 1.28 0.00 0.00 41.25 43.10 1rxs s ASN 2194CO 0.91 -0.96 -0.08 -0.31 -2.04 0.00 0.00 177.10 174.61 1rxs s TYR 2195N -3.44 2.88 0.00 1.54 2.02 -0.53 -0.43 117.35 119.39 1rxs s TYR 2195Ca 0.10 -0.03 0.00 0.00 -0.37 0.00 0.00 57.07 56.77 1rxs s TYR 2195Cb -0.02 -1.67 0.00 0.00 -0.40 0.00 0.00 41.96 39.87 1rxs s TYR 2195CO 0.00 0.32 0.00 -0.85 -1.57 0.00 0.00 175.55 173.45 1rxs n GLU 2196N 2.06 0.00 0.00 -0.62 -0.00 -0.69 -2.60 120.64 118.78 1rxs n GLU 2196Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.99 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 -0.66 0.00 3.44 2.81 -1.26 -0.33 117.12 121.12 1rxs n MET 2197Ca 0.00 -0.38 0.00 0.00 -1.81 0.00 0.00 57.70 55.51 1rxs n MET 2197Cb 0.00 -0.88 0.00 0.00 -0.71 0.00 0.00 33.22 31.63 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 -0.02 1.95 -0.36 0.03 4.71 -1.26 -3.57 120.64 122.13 1rxs n GLU 2198Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.13 1rxs n GLU 2198Cb 0.05 -0.87 0.12 0.00 -1.01 0.00 0.00 31.44 29.73 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 1.13 -0.44 1.62 4.64 -1.95 -1.19 113.55 117.36 1rxs h SER 2199Ca 0.00 -0.04 0.07 0.00 -0.47 0.00 0.00 61.79 61.35 1rxs h SER 2199Cb 0.21 -0.28 -0.06 0.00 -0.31 0.00 0.00 62.40 61.96 1rxs h SER 2199CO 0.00 0.83 0.10 0.00 -0.87 0.00 0.00 176.83 176.89 1rxs h ALA 2200N 1.37 0.49 0.10 5.18 0.00 -1.88 0.54 119.26 125.06 1rxs h ALA 2200Ca 0.35 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.34 1rxs h ALA 2200Cb -0.12 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1rxs h ALA 2200CO -0.07 -0.30 -0.05 1.15 0.00 0.00 0.00 179.25 179.98 1rxs h THR 2201N 0.24 1.09 0.26 0.00 2.02 -1.77 -2.21 112.91 112.53 1rxs h THR 2201Ca 0.22 -0.76 -0.00 0.00 0.77 0.00 0.00 66.41 66.64 1rxs h THR 2201Cb 0.26 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 1rxs h THR 2201CO -0.27 0.18 -0.23 0.25 0.37 0.00 0.00 175.52 175.82 1rxs h LEU 2202N -0.49 -0.59 -0.62 2.58 5.85 -0.88 0.82 115.31 121.98 1rxs h LEU 2202Ca -0.01 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 1rxs h LEU 2202Cb 0.40 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 1rxs h LEU 2202CO 0.02 -0.34 0.21 -0.07 -0.34 0.00 0.00 178.44 177.92 1rxs h LEU 2203N -0.50 0.89 -0.05 2.25 3.38 0.01 -1.73 115.31 119.56 1rxs h LEU 2203Ca -0.01 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1rxs h LEU 2203Cb 0.46 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1rxs h LEU 2203CO -0.03 0.85 0.01 0.74 0.09 0.00 0.00 178.44 180.10 1rxs h THR 2204N 0.88 1.21 -0.43 0.22 2.02 -1.19 0.19 112.91 115.82 1rxs h THR 2204Ca 0.20 -0.63 -0.04 0.00 0.77 0.00 0.00 66.41 66.72 1rxs h THR 2204Cb 0.27 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 1rxs h THR 2204CO -0.01 0.17 0.10 0.00 0.37 0.00 0.00 175.52 176.15 1rxs h MET 2205N -0.17 0.64 0.08 6.66 -0.00 -0.70 -1.71 114.93 119.73 1rxs h MET 2205Ca 0.01 -0.11 -0.00 0.00 -0.00 0.00 0.00 59.70 59.60 1rxs h MET 2205Cb 0.27 -0.10 0.00 0.00 -0.00 0.00 0.00 31.60 31.76 1rxs h MET 2205CO 0.00 0.59 -0.04 0.00 -0.00 0.00 0.00 176.91 177.46 1rxs h ALA 2207N -0.01 2.21 -0.04 0.00 0.00 -0.48 -1.13 119.26 119.81 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 0.59 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1rxs h ALA 2207CO 0.02 -0.34 0.00 -1.13 0.00 0.00 0.00 179.25 177.79 1rxs n SER 2208N -4.44 1.73 -0.24 0.00 3.41 -0.65 -4.10 113.62 109.33 1rxs n SER 2208Ca 0.09 -1.59 0.05 0.00 -0.26 0.00 0.00 58.87 57.16 1rxs n SER 2208Cb 0.45 -0.02 0.07 0.00 -0.26 0.00 0.00 64.21 64.45 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 0.78 -1.49 4.33 6.02 -0.49 -5.00 117.38 121.87 1rxs n GLN 2209Ca 0.18 -1.80 -0.12 0.00 -0.01 0.00 0.00 57.00 55.26 1rxs n GLN 2209Cb 0.38 -1.02 -0.04 0.00 1.02 0.00 0.00 30.24 30.58 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 -0.74 1.06 3.83 1.08 0.00 -1.05 -5.01 105.19 104.35 1rxs n GLY 2210Ca 0.08 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.83 4.11 -0.07 0.99 1.43 -0.80 -5.06 118.68 116.46 1rxs s LEU 2211Ca 0.00 0.28 -0.22 0.00 -1.03 0.00 0.00 54.13 53.16 1rxs s LEU 2211Cb 0.00 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 1rxs s LEU 2211CO 0.00 0.32 0.65 -0.13 0.23 0.00 0.00 176.35 177.41 1rxs s ARG 2212N -1.52 4.41 0.03 1.70 0.52 -0.44 -3.88 118.95 119.77 1rxs s ARG 2212Ca 0.21 0.78 0.03 0.00 -0.52 0.00 0.00 55.73 56.23 1rxs s ARG 2212Cb -0.12 -3.44 -0.02 0.00 0.52 0.00 0.00 34.95 31.89 1rxs s ARG 2212CO 0.11 0.10 -0.09 0.00 0.02 0.00 0.00 175.30 175.45 1rxs s ALA 2213N 0.70 0.68 0.10 2.13 0.00 -1.26 -0.47 121.76 123.65 1rxs s ALA 2213Ca 0.35 -0.64 -0.01 0.00 0.00 0.00 0.00 51.96 51.66 1rxs s ALA 2213Cb -0.17 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 1rxs s ALA 2213CO 0.16 0.07 0.01 0.20 0.00 0.00 0.00 175.76 176.21 1rxs s GLY 2214N -1.11 0.81 -0.13 0.00 0.00 -0.25 -0.88 107.32 105.77 1rxs s GLY 2214Ca -0.04 -1.38 -0.05 0.00 0.00 0.00 0.00 44.72 43.24 1rxs s GLY 2214CO 0.00 -1.37 0.27 -0.29 0.00 0.00 0.00 173.10 171.72 1rxs s MET 2215N -3.98 0.18 0.00 2.90 0.00 -1.26 -0.93 119.30 116.21 1rxs s MET 2215Ca 0.17 0.71 -0.00 0.00 0.00 0.00 0.00 55.69 56.57 1rxs s MET 2215Cb 0.07 -0.04 -0.00 0.00 0.00 0.00 0.00 34.83 34.86 1rxs s MET 2215CO -0.03 -0.25 0.00 0.54 0.00 0.00 0.00 175.02 175.29 1rxs s VAL 2216N 2.08 0.03 -0.05 10.11 0.11 -0.61 -1.69 120.40 130.39 1rxs s VAL 2216Ca -0.02 -0.27 -0.10 0.00 -2.93 0.00 0.00 61.98 58.65 1rxs s VAL 2216Cb -0.11 -0.10 0.02 0.00 -1.53 0.00 0.00 36.38 34.65 1rxs s VAL 2216CO -0.09 -0.15 0.24 0.00 -3.33 0.00 0.00 175.10 171.77 1rxs s ALA 2217N -0.44 -0.60 0.04 1.54 0.00 -0.28 -1.48 121.76 120.54 1rxs s ALA 2217Ca -0.05 0.38 -0.18 0.00 0.00 0.00 0.00 51.96 52.11 1rxs s ALA 2217Cb -0.03 -0.14 -0.06 0.00 0.00 0.00 0.00 23.12 22.89 1rxs s ALA 2217CO -0.00 -0.19 0.52 0.20 0.00 0.00 0.00 175.76 176.29 1rxs s GLY 2218N -0.70 2.61 -0.23 0.00 0.00 -0.14 -0.70 107.32 108.15 1rxs s GLY 2218Ca -0.08 -0.04 -0.27 0.00 0.00 0.00 0.00 44.72 44.33 1rxs s GLY 2218CO 0.02 0.41 0.95 0.14 0.00 0.00 0.00 173.10 174.62 1rxs s VAL 2219N -0.97 4.75 -0.65 1.40 1.01 -0.28 -1.65 120.40 124.02 1rxs s VAL 2219Ca 0.28 1.83 0.14 0.00 0.00 0.00 0.00 61.98 64.23 1rxs s VAL 2219Cb -0.18 -4.23 -0.15 0.00 0.00 0.00 0.00 36.38 31.82 1rxs s VAL 2219CO 0.17 -0.13 0.58 2.30 0.00 0.00 0.00 175.10 178.02 1rxs n ILE 2220N 5.27 0.00 -3.65 2.22 -5.35 -0.03 -0.88 119.36 116.94 1rxs n ILE 2220Ca 0.09 -0.18 -0.15 0.00 -0.27 0.00 0.00 62.75 62.24 1rxs n ILE 2220Cb 0.47 1.00 -0.08 0.00 -1.74 0.00 0.00 39.64 39.29 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 -2.30 0.02 -0.27 7.28 0.11 -1.22 -4.45 120.40 119.56 1rxs s VAL 2221Ca 0.05 -0.15 -0.07 0.00 -2.93 0.00 0.00 61.98 58.88 1rxs s VAL 2221Cb 0.10 -0.81 -0.01 0.00 -1.53 0.00 0.00 36.38 34.14 1rxs s VAL 2221CO 0.56 -0.08 0.07 0.21 -3.33 0.00 0.00 175.10 172.53 1rxs s ASN 2222N -0.81 5.05 0.23 3.54 3.84 -1.26 -0.68 114.94 124.85 1rxs s ASN 2222Ca -0.09 -0.51 0.23 0.00 0.21 0.00 0.00 52.86 52.70 1rxs s ASN 2222Cb -0.03 -1.88 0.94 0.00 -0.55 0.00 0.00 41.25 39.73 1rxs s ASN 2222CO 0.06 -0.12 1.69 0.54 -2.79 0.00 0.00 177.10 176.47 1rxs n ARG 2223N 4.88 0.18 0.00 0.43 5.12 0.89 -1.18 116.66 126.98 1rxs n ARG 2223Ca -0.15 0.40 0.13 0.00 -1.93 0.00 0.00 57.85 56.30 1rxs n ARG 2223Cb 0.49 -1.83 0.70 0.00 -1.16 0.00 0.00 32.46 30.66 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 -2.17 0.11 -0.02 0.55 -2.24 -1.26 -3.79 114.28 105.47 1rxs n THR 2224Ca 0.02 0.03 -0.02 0.00 -2.27 0.00 0.00 64.05 61.81 1rxs n THR 2224Cb 0.23 -0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 67.83 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 -1.18 2.75 -3.48 -0.78 6.02 -0.33 -5.11 117.38 115.27 1rxs n GLN 2225Ca 0.15 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 57.00 1rxs n GLN 2225Cb 0.16 -1.08 -0.04 0.00 1.02 0.00 0.00 30.24 30.30 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 -2.08 1.09 -0.17 -1.09 -0.21 -1.05 -5.07 119.66 111.09 1rxs s GLN 2226Ca -0.02 -0.07 -0.04 0.00 0.02 0.00 0.00 55.36 55.25 1rxs s GLN 2226Cb 0.01 0.51 -0.23 0.00 1.00 0.00 0.00 33.01 34.30 1rxs s GLN 2226CO 0.12 -0.41 0.15 0.39 -2.12 0.00 0.00 175.29 173.42 1rxs n GLU 2227N 0.32 0.72 -4.23 2.91 1.02 -1.26 -4.04 120.64 116.08 1rxs n GLU 2227Ca -0.17 0.23 -0.34 0.00 -0.02 0.00 0.00 57.16 56.86 1rxs n GLU 2227Cb 0.60 -1.64 -0.11 0.00 -0.02 0.00 0.00 31.44 30.27 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 4.16 0.58 -3.67 -1.09 -1.26 -5.01 121.20 112.37 1rxs s ILE 2228Ca -0.27 -0.26 -0.21 0.00 -2.23 0.00 0.00 60.65 57.69 1rxs s ILE 2228Cb 0.07 -2.85 -0.04 0.00 -1.58 0.00 0.00 42.46 38.07 1rxs s ILE 2228CO 0.70 0.47 1.34 -2.65 -1.23 0.00 0.00 174.94 173.57 1rxs n PRO 2229N 3.67 1.52 0.04 2.79 -0.02 -1.26 -5.05 135.00 136.68 1rxs n PRO 2229Ca -0.17 0.57 -0.13 0.00 -2.02 0.00 0.00 63.50 61.75 1rxs n PRO 2229Cb 0.52 -2.56 -0.09 0.00 -0.02 0.00 0.00 33.50 31.36 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 1.15 -0.09 0.00 2.55 2.35 -1.99 -3.51 115.58 116.04 1rxs h ASN 2230Ca -0.51 -0.30 0.00 0.00 -0.55 0.00 0.00 56.30 54.94 1rxs h ASN 2230Cb 1.32 0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.71 1rxs h ASN 2230CO 0.56 0.26 0.00 -0.24 -1.65 0.00 0.00 177.43 176.36 1rxs n SER 2239N -4.98 0.00 -0.08 5.81 2.88 -1.26 -5.17 113.62 110.82 1rxs n SER 2239Ca -0.08 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.32 1rxs n SER 2239Cb 0.20 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.62 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 0.90 -0.53 0.66 -0.00 -1.99 -3.12 115.15 111.08 1rxs h HIS 2240Ca 0.00 -0.30 -0.06 0.00 -0.00 0.00 0.00 60.37 60.01 1rxs h HIS 2240Cb 0.00 -0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 27.21 1rxs h HIS 2240CO 0.00 1.07 0.08 0.00 -0.00 0.00 0.00 177.93 179.08 1rxs h ALA 2241N 0.68 1.14 -0.25 2.45 0.00 -1.93 -2.06 119.26 119.30 1rxs h ALA 2241Ca 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1rxs h ALA 2241Cb 0.96 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1rxs h ALA 2241CO 0.09 0.57 0.12 0.28 0.00 0.00 0.00 179.25 180.30 1rxs h VAL 2242N 0.80 1.14 -0.87 0.00 2.07 -1.97 -0.21 116.25 117.22 1rxs h VAL 2242Ca 0.17 -0.41 0.08 0.00 0.82 0.00 0.00 66.70 67.36 1rxs h VAL 2242Cb 0.37 0.96 -0.07 0.00 -1.52 0.00 0.00 31.29 31.03 1rxs h VAL 2242CO 0.01 0.14 0.53 0.11 0.02 0.00 0.00 177.57 178.38 1rxs h LYS 2243N 0.27 0.89 -0.42 1.57 1.57 -1.44 -2.17 116.57 116.84 1rxs h LYS 2243Ca 0.08 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.70 1rxs h LYS 2243Cb 0.12 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1rxs h LYS 2243CO -0.01 0.59 -0.15 0.82 -0.57 0.00 0.00 179.45 180.12 1rxs h ILE 2244N 0.92 1.28 -0.57 1.86 2.04 -0.85 -2.18 117.51 120.00 1rxs h ILE 2244Ca 0.40 -1.28 -0.09 0.00 1.00 0.00 0.00 64.86 64.89 1rxs h ILE 2244Cb 0.27 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 1rxs h ILE 2244CO -0.21 0.43 0.01 1.62 0.00 0.00 0.00 178.15 180.00 1rxs h VAL 2245N 0.66 1.26 -0.37 1.67 3.04 -0.66 0.70 116.25 122.55 1rxs h VAL 2245Ca 0.10 -1.10 -0.07 0.00 -1.01 0.00 0.00 66.70 64.62 1rxs h VAL 2245Cb 0.70 0.81 -0.01 0.00 -2.01 0.00 0.00 31.29 30.78 1rxs h VAL 2245CO 0.05 0.40 -0.04 0.58 -1.01 0.00 0.00 177.57 177.55 1rxs h VAL 2246N 0.90 1.27 -0.35 1.51 2.07 -1.36 -0.48 116.25 119.81 1rxs h VAL 2246Ca 0.17 -1.07 -0.07 0.00 0.82 0.00 0.00 66.70 66.55 1rxs h VAL 2246Cb 0.51 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1rxs h VAL 2246CO 0.03 0.36 -0.08 -0.08 0.02 0.00 0.00 177.57 177.81 1rxs h GLU 2247N 0.49 0.58 -0.42 1.57 4.57 -1.02 -1.95 114.58 118.41 1rxs h GLU 2247Ca 0.10 -0.16 -0.12 0.00 -1.18 0.00 0.00 59.36 58.00 1rxs h GLU 2247Cb 0.53 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 1rxs h GLU 2247CO 0.03 0.67 -0.22 0.00 -1.18 0.00 0.00 179.01 178.31 1rxs h ALA 2248N 1.37 0.59 -0.88 2.92 0.00 -0.55 -2.73 119.26 119.98 1rxs h ALA 2248Ca 0.10 -0.38 0.10 0.00 0.00 0.00 0.00 54.91 54.73 1rxs h ALA 2248Cb 0.47 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 1rxs h ALA 2248CO 0.03 0.56 0.52 0.00 0.00 0.00 0.00 179.25 180.36 1rxs h ALA 2249N 0.82 1.27 -0.67 0.00 0.00 -0.58 -1.73 119.26 118.37 1rxs h ALA 2249Ca 0.09 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1rxs h ALA 2249Cb 0.78 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 1rxs h ALA 2249CO 0.06 0.14 0.34 -0.09 0.00 0.00 0.00 179.25 179.71 1rxs h ARG 2250N 0.86 0.58 0.00 0.00 2.43 -1.08 -0.93 114.38 116.24 1rxs h ARG 2250Ca 0.42 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 1rxs h ARG 2250Cb 0.38 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1rxs h ARG 2250CO -0.25 0.39 0.00 0.00 -1.51 0.00 0.00 179.97 178.60 1rxs h ARG 2251N 0.60 0.00 -0.03 0.20 3.08 -1.09 -3.21 114.38 113.94 1rxs h ARG 2251Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1rxs h ARG 2251Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1rxs h ARG 2251CO -0.24 0.00 -0.03 1.28 -1.07 0.00 0.00 179.97 179.91 1rxs n LEU 2252N -2.97 2.54 0.00 3.04 4.77 -0.39 -5.07 117.00 118.92 1rxs n LEU 2252Ca 0.02 -0.85 0.11 0.00 -0.03 0.00 0.00 56.01 55.26 1rxs n LEU 2252Cb 0.36 -0.00 0.65 0.00 -2.33 0.00 0.00 43.42 42.10 1rxs n LEU 2252CO 0.28 0.43 0.84 0.18 -1.33 0.00 0.00 177.39 177.79