#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ejx s ILE 2002N 0.00 1.52 0.16 1.12 1.01 -1.26 -5.09 121.20 118.66 1ejx s ILE 2002Ca 0.00 -0.60 -0.34 0.00 0.00 0.00 0.00 60.65 59.71 1ejx s ILE 2002Cb 0.00 -1.43 -0.14 0.00 0.01 0.00 0.00 42.46 40.90 1ejx s ILE 2002CO 0.00 0.45 1.53 -2.65 0.00 0.00 0.00 174.94 174.27 1ejx n PRO 2003N 4.74 2.04 -1.37 2.79 -0.02 -1.26 -1.53 135.00 140.38 1ejx n PRO 2003Ca -0.17 0.73 -0.13 0.00 -2.02 0.00 0.00 63.50 61.92 1ejx n PRO 2003Cb 0.50 -2.48 -0.06 0.00 -0.02 0.00 0.00 33.50 31.45 1ejx n PRO 2003CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ejx n GLY 2004N 3.19 1.30 3.72 -1.23 0.00 -1.26 -4.98 105.19 105.93 1ejx n GLY 2004Ca 0.17 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1ejx n GLY 2004CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ejx s GLU 2005N -2.99 1.95 0.21 1.61 -1.05 -0.59 -5.02 118.70 112.82 1ejx s GLU 2005Ca 0.00 1.59 0.02 0.00 -0.15 0.00 0.00 54.97 56.43 1ejx s GLU 2005Cb 0.00 -1.83 -0.04 0.00 -0.44 0.00 0.00 34.13 31.83 1ejx s GLU 2005CO 0.00 -1.94 0.37 0.71 0.95 0.00 0.00 175.26 175.35 1ejx s TYR 2006N -2.31 3.48 -0.55 4.83 4.12 -1.26 -5.05 117.35 120.60 1ejx s TYR 2006Ca 0.70 0.18 0.04 0.00 0.02 0.00 0.00 57.07 58.01 1ejx s TYR 2006Cb -0.25 -1.73 0.14 0.00 -1.52 0.00 0.00 41.96 38.61 1ejx s TYR 2006CO 0.49 0.40 0.32 -1.58 0.02 0.00 0.00 175.55 175.21 1ejx s HIS 2007N -1.92 3.00 0.07 2.71 5.65 -1.26 -5.10 115.29 118.45 1ejx s HIS 2007Ca 0.36 -3.06 -0.30 0.00 0.25 0.00 0.00 55.06 52.31 1ejx s HIS 2007Cb -0.10 -2.55 -0.05 0.00 -1.18 0.00 0.00 32.58 28.69 1ejx s HIS 2007CO 0.30 -0.70 1.02 0.08 -0.65 0.00 0.00 174.74 174.79 1ejx s VAL 2008N -0.49 4.49 0.01 0.89 1.01 -1.26 -5.00 120.40 120.04 1ejx s VAL 2008Ca 0.20 1.93 -0.30 0.00 0.00 0.00 0.00 61.98 63.80 1ejx s VAL 2008Cb -0.19 -4.23 -0.06 0.00 0.00 0.00 0.00 36.38 31.90 1ejx s VAL 2008CO -0.05 0.23 1.50 -0.75 0.00 0.00 0.00 175.10 176.03 1ejx s LYS 2009N 0.44 4.24 0.72 2.72 2.20 -1.26 -4.99 119.74 123.81 1ejx s LYS 2009Ca 0.51 2.09 -0.16 0.00 -0.36 0.00 0.00 55.97 58.04 1ejx s LYS 2009Cb -0.24 -3.64 0.01 0.00 -1.51 0.00 0.00 37.83 32.45 1ejx s LYS 2009CO 0.30 -0.66 1.09 -2.30 -0.36 0.00 0.00 175.35 173.42 1ejx n PRO 2010N 5.71 0.61 0.00 4.03 -0.02 -1.26 -4.90 135.00 139.16 1ejx n PRO 2010Ca 0.14 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1ejx n PRO 2010Cb 0.43 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 1ejx n PRO 2010CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ejx n GLY 2011N 0.96 0.90 3.09 -1.23 0.00 -1.26 -5.11 105.19 102.54 1ejx n GLY 2011Ca 0.14 -1.96 -0.07 0.00 0.00 0.00 0.00 46.02 44.13 1ejx n GLY 2011CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ejx s GLN 2012N -1.70 0.61 -0.06 1.61 2.00 -1.26 -5.16 119.66 115.71 1ejx s GLN 2012Ca 0.00 -1.20 0.05 0.00 -2.00 0.00 0.00 55.36 52.21 1ejx s GLN 2012Cb 0.00 0.21 -0.01 0.00 0.80 0.00 0.00 33.01 34.02 1ejx s GLN 2012CO 0.00 -0.12 -0.22 0.42 -0.50 0.00 0.00 175.29 174.88 1ejx s ILE 2013N -3.87 1.82 -0.18 -2.34 1.01 -1.26 -5.12 121.20 111.26 1ejx s ILE 2013Ca 0.06 -0.92 -0.22 0.00 0.00 0.00 0.00 60.65 59.57 1ejx s ILE 2013Cb 0.08 -1.56 -0.02 0.00 0.01 0.00 0.00 42.46 40.97 1ejx s ILE 2013CO -0.10 0.51 0.69 0.00 0.00 0.00 0.00 174.94 176.04 1ejx s ALA 2014N 0.02 3.52 0.07 9.38 0.00 -1.26 -5.06 121.76 128.44 1ejx s ALA 2014Ca -0.07 -0.17 0.01 0.00 0.00 0.00 0.00 51.96 51.74 1ejx s ALA 2014Cb -0.14 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 1ejx s ALA 2014CO 0.04 -0.55 0.17 -0.51 0.00 0.00 0.00 175.76 174.91 1ejx s LEU 2015N 1.90 4.17 -1.46 0.00 1.43 -1.26 -4.54 118.68 118.92 1ejx s LEU 2015Ca 0.32 0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 53.46 1ejx s LEU 2015Cb -0.16 -2.80 0.08 0.00 0.03 0.00 0.00 46.19 43.35 1ejx s LEU 2015CO 0.11 0.16 0.73 0.59 0.23 0.00 0.00 176.35 178.17 1ejx n ASN 2016N 0.27 -4.31 -4.69 2.29 5.03 -1.26 -4.89 115.26 107.71 1ejx n ASN 2016Ca -0.06 -0.61 -0.40 0.00 0.87 0.00 0.00 54.58 54.37 1ejx n ASN 2016Cb 0.51 -3.50 0.02 0.00 -1.02 0.00 0.00 39.78 35.80 1ejx n ASN 2016CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1ejx n THR 2017N -4.33 2.93 -0.86 3.41 -2.24 -1.26 -2.81 114.28 109.11 1ejx n THR 2017Ca 0.01 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1ejx n THR 2017Cb 0.53 -1.50 0.00 0.00 -2.10 0.00 0.00 70.33 67.27 1ejx n THR 2017CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ejx n GLY 2018N 0.89 1.12 3.92 3.38 0.00 -1.26 -5.03 105.19 108.22 1ejx n GLY 2018Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1ejx n GLY 2018CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ejx s ARG 2019N -0.07 3.50 0.31 1.61 1.81 -1.12 -5.07 118.95 119.92 1ejx s ARG 2019Ca 0.00 -0.38 -0.29 0.00 -1.72 0.00 0.00 55.73 53.34 1ejx s ARG 2019Cb 0.00 -2.92 -0.10 0.00 -0.45 0.00 0.00 34.95 31.48 1ejx s ARG 2019CO 0.00 0.49 1.28 0.00 -0.68 0.00 0.00 175.30 176.39 1ejx s ALA 2020N -1.72 3.49 0.24 2.13 0.00 -1.26 -4.88 121.76 119.76 1ejx s ALA 2020Ca 0.37 1.19 0.03 0.00 0.00 0.00 0.00 51.96 53.55 1ejx s ALA 2020Cb -0.12 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 19.50 1ejx s ALA 2020CO 0.28 -0.55 0.03 0.95 0.00 0.00 0.00 175.76 176.47 1ejx s THR 2021N -1.03 0.84 0.26 0.00 -4.23 -1.26 -0.52 115.64 109.70 1ejx s THR 2021Ca 0.49 -2.01 -0.18 0.00 -1.18 0.00 0.00 61.69 58.81 1ejx s THR 2021Cb -0.38 -2.44 0.01 0.00 1.34 0.00 0.00 72.50 71.03 1ejx s THR 2021CO 0.50 -0.22 0.62 0.00 -0.54 0.00 0.00 174.62 174.98 1ejx s ARG 2023N -3.95 1.17 -0.05 0.00 0.52 -1.26 -0.68 118.95 114.70 1ejx s ARG 2023Ca 0.15 -0.96 -0.08 0.00 -0.52 0.00 0.00 55.73 54.32 1ejx s ARG 2023Cb -0.04 -1.30 0.02 0.00 0.52 0.00 0.00 34.95 34.15 1ejx s ARG 2023CO 0.07 0.32 0.20 0.08 0.02 0.00 0.00 175.30 175.98 1ejx s VAL 2024N -0.94 0.03 -0.12 3.52 1.01 -0.43 -4.96 120.40 118.51 1ejx s VAL 2024Ca 0.05 -0.23 -0.19 0.00 0.00 0.00 0.00 61.98 61.61 1ejx s VAL 2024Cb -0.09 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 1ejx s VAL 2024CO 0.02 -0.13 0.52 -0.69 0.00 0.00 0.00 175.10 174.82 1ejx s VAL 2025N -0.43 5.16 -0.02 2.92 1.01 -1.26 -1.19 120.40 126.58 1ejx s VAL 2025Ca -0.05 1.03 0.08 0.00 0.00 0.00 0.00 61.98 63.04 1ejx s VAL 2025Cb -0.03 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 1ejx s VAL 2025CO 0.01 0.30 -0.26 -0.69 0.00 0.00 0.00 175.10 174.46 1ejx s VAL 2026N 0.76 2.02 -0.04 2.92 1.01 0.12 -4.39 120.40 122.81 1ejx s VAL 2026Ca 0.28 -1.09 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1ejx s VAL 2026Cb -0.16 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.57 1ejx s VAL 2026CO 0.11 0.57 -0.04 -0.70 0.00 0.00 0.00 175.10 175.05 1ejx s GLU 2027N -0.57 0.73 -0.65 2.72 2.12 -0.56 -0.89 118.70 121.60 1ejx s GLU 2027Ca 0.09 -0.08 -0.27 0.00 0.36 0.00 0.00 54.97 55.07 1ejx s GLU 2027Cb -0.10 -0.76 0.03 0.00 0.26 0.00 0.00 34.13 33.56 1ejx s GLU 2027CO -0.01 -0.08 1.19 1.21 -0.54 0.00 0.00 175.26 177.03 1ejx s ASN 2028N 0.90 6.29 0.00 -1.70 3.84 0.09 -0.37 114.94 124.00 1ejx s ASN 2028Ca -0.11 -0.26 0.24 0.00 0.21 0.00 0.00 52.86 52.94 1ejx s ASN 2028Cb -0.14 -2.53 0.82 0.00 -0.55 0.00 0.00 41.25 38.84 1ejx s ASN 2028CO -0.00 -1.60 1.60 1.41 -2.79 0.00 0.00 177.10 175.72 1ejx n HIS 2029N 8.68 0.13 -2.26 0.43 8.25 -0.90 0.11 115.22 129.66 1ejx n HIS 2029Ca 0.05 -0.06 -0.27 0.00 -0.26 0.00 0.00 57.72 57.17 1ejx n HIS 2029Cb 0.49 0.00 0.15 0.00 1.12 0.00 0.00 29.99 31.74 1ejx n HIS 2029CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1ejx s GLY 2030N -1.77 1.77 -0.11 -1.41 0.00 -1.26 -4.90 107.32 99.63 1ejx s GLY 2030Ca 0.35 -1.46 0.15 0.00 0.00 0.00 0.00 44.72 43.76 1ejx s GLY 2030CO 0.30 -0.79 1.39 2.09 0.00 0.00 0.00 173.10 176.08 1ejx n ASP 2031N -3.29 3.67 -3.99 1.64 5.68 -1.26 -3.75 116.55 115.25 1ejx n ASP 2031Ca 0.15 -2.61 -0.13 0.00 -0.50 0.00 0.00 54.79 51.70 1ejx n ASP 2031Cb 0.60 -0.44 -0.12 0.00 -1.14 0.00 0.00 41.12 40.02 1ejx n ASP 2031CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1ejx s ARG 2032N -2.09 0.38 0.51 0.11 0.52 -1.26 -4.85 118.95 112.27 1ejx s ARG 2032Ca 0.36 -0.47 -0.23 0.00 -0.52 0.00 0.00 55.73 54.87 1ejx s ARG 2032Cb 0.26 -0.20 -0.06 0.00 0.52 0.00 0.00 34.95 35.47 1ejx s ARG 2032CO 0.13 0.04 1.39 -1.25 0.02 0.00 0.00 175.30 175.62 1ejx s PRO 2033N -0.95 3.32 -0.07 3.54 0.04 -1.26 -4.43 135.00 135.20 1ejx s PRO 2033Ca -0.07 2.31 0.02 0.00 0.04 0.00 0.00 61.00 63.30 1ejx s PRO 2033Cb -0.06 -2.39 0.01 0.00 0.04 0.00 0.00 34.50 32.09 1ejx s PRO 2033CO -0.00 -1.07 -0.13 0.42 0.04 0.00 0.00 177.00 176.27 1ejx s ILE 2034N -1.26 1.17 -0.07 0.56 1.01 -0.47 -5.00 121.20 117.13 1ejx s ILE 2034Ca 0.68 -0.50 0.03 0.00 0.00 0.00 0.00 60.65 60.86 1ejx s ILE 2034Cb -0.42 -1.06 0.01 0.00 0.01 0.00 0.00 42.46 41.00 1ejx s ILE 2034CO 0.51 0.36 -0.15 -1.58 0.00 0.00 0.00 174.94 174.08 1ejx s GLN 2035N 0.65 2.02 -0.15 2.79 0.74 -1.26 0.19 119.66 124.65 1ejx s GLN 2035Ca -0.15 -0.52 -0.02 0.00 0.05 0.00 0.00 55.36 54.71 1ejx s GLN 2035Cb -0.16 -1.62 -0.02 0.00 1.10 0.00 0.00 33.01 32.31 1ejx s GLN 2035CO 0.04 0.07 -0.07 0.08 -0.55 0.00 0.00 175.29 174.85 1ejx s VAL 2036N 0.58 3.57 0.48 1.34 1.01 0.44 -4.91 120.40 122.91 1ejx s VAL 2036Ca -0.16 -0.47 -0.17 0.00 0.00 0.00 0.00 61.98 61.18 1ejx s VAL 2036Cb -0.16 -2.54 -0.08 0.00 0.00 0.00 0.00 36.38 33.59 1ejx s VAL 2036CO 0.05 0.50 0.95 -0.83 0.00 0.00 0.00 175.10 175.78 1ejx s GLY 2037N 0.38 2.13 0.43 4.51 0.00 -1.26 0.70 107.32 114.21 1ejx s GLY 2037Ca -0.07 0.19 0.24 0.00 0.00 0.00 0.00 44.72 45.09 1ejx s GLY 2037CO 0.04 0.46 1.73 1.48 0.00 0.00 0.00 173.10 176.80 1ejx h SER 2038N 1.20 0.33 -0.31 1.64 4.64 -1.24 -2.90 113.55 116.90 1ejx h SER 2038Ca -0.47 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1ejx h SER 2038Cb 1.18 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1ejx h SER 2038CO 0.62 -0.01 0.00 1.41 -0.87 0.00 0.00 176.83 177.98 1ejx n HIS 2039N -4.59 0.41 -2.13 4.77 8.25 -1.26 -2.95 115.22 117.72 1ejx n HIS 2039Ca 0.29 -0.33 -0.40 0.00 -0.26 0.00 0.00 57.72 57.02 1ejx n HIS 2039Cb 1.11 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 32.19 1ejx n HIS 2039CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1ejx s TYR 2040N -1.08 2.98 -0.77 4.41 5.04 -1.10 -4.93 117.35 121.91 1ejx s TYR 2040Ca 0.26 1.44 -0.25 0.00 -2.44 0.00 0.00 57.07 56.08 1ejx s TYR 2040Cb 0.15 -3.62 -0.06 0.00 0.35 0.00 0.00 41.96 38.78 1ejx s TYR 2040CO 0.20 -1.82 2.04 -1.58 -1.34 0.00 0.00 175.55 173.05 1ejx s HIS 2041N -1.23 1.59 0.33 4.97 5.65 -1.26 -4.41 115.29 120.93 1ejx s HIS 2041Ca 0.53 0.98 0.12 0.00 0.25 0.00 0.00 55.06 56.94 1ejx s HIS 2041Cb -0.37 -3.91 0.98 0.00 -1.18 0.00 0.00 32.58 28.09 1ejx s HIS 2041CO 0.49 -1.94 1.70 0.35 -0.65 0.00 0.00 174.74 174.69 1ejx h PHE 2042N 13.28 0.97 0.00 3.88 3.57 -1.52 0.36 116.94 137.49 1ejx h PHE 2042Ca -0.05 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1ejx h PHE 2042Cb 1.07 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.54 1ejx h PHE 2042CO 1.14 -0.04 0.00 0.00 -2.23 0.00 0.00 178.31 177.18 1ejx n ALA 2043N -2.31 1.35 -0.95 2.41 0.00 -1.26 -2.38 120.51 117.37 1ejx n ALA 2043Ca 0.29 0.14 0.09 0.00 0.00 0.00 0.00 53.44 53.96 1ejx n ALA 2043Cb 0.86 -1.35 0.23 0.00 0.00 0.00 0.00 19.45 19.19 1ejx n ALA 2043CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ejx n GLU 2044N -2.23 2.61 -0.73 0.00 1.02 0.13 -4.97 120.64 116.47 1ejx n GLU 2044Ca 0.00 -2.73 -0.29 0.00 -0.02 0.00 0.00 57.16 54.12 1ejx n GLU 2044Cb 0.13 -1.74 0.24 0.00 -0.02 0.00 0.00 31.44 30.06 1ejx n GLU 2044CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1ejx s VAL 2045N -2.71 1.76 -0.30 2.62 -7.23 -1.00 -4.40 120.40 109.14 1ejx s VAL 2045Ca 0.39 0.00 -0.44 0.00 -1.81 0.00 0.00 61.98 60.12 1ejx s VAL 2045Cb 0.31 -2.23 -0.20 0.00 0.56 0.00 0.00 36.38 34.83 1ejx s VAL 2045CO 0.08 0.00 1.41 -3.20 -0.31 0.00 0.00 175.10 173.08 1ejx n ASN 2046N -4.92 0.83 0.24 4.85 2.85 -1.26 -4.81 115.26 113.04 1ejx n ASN 2046Ca 0.07 1.17 0.15 0.00 -0.11 0.00 0.00 54.58 55.87 1ejx n ASN 2046Cb 0.57 -0.91 0.67 0.00 1.24 0.00 0.00 39.78 41.35 1ejx n ASN 2046CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1ejx h PRO 2047N 4.36 0.00 0.00 1.20 0.11 -1.99 -0.97 132.00 134.71 1ejx h PRO 2047Ca -0.47 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 1ejx h PRO 2047Cb 1.39 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.49 1ejx h PRO 2047CO 0.86 0.00 -0.18 0.00 -0.21 0.00 0.00 178.00 178.46 1ejx h ALA 2048N 1.16 1.05 -2.28 -0.75 0.00 -1.96 -3.42 119.26 113.07 1ejx h ALA 2048Ca 0.08 -0.16 -0.55 0.00 0.00 0.00 0.00 54.91 54.27 1ejx h ALA 2048Cb 1.07 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1ejx h ALA 2048CO -0.00 0.23 0.72 -0.51 0.00 0.00 0.00 179.25 179.68 1ejx s LEU 2049N -6.77 4.26 -0.25 0.00 1.43 -0.37 -2.11 118.68 114.87 1ejx s LEU 2049Ca 0.00 1.76 -0.09 0.00 -1.03 0.00 0.00 54.13 54.77 1ejx s LEU 2049Cb 0.10 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 1ejx s LEU 2049CO 0.62 -0.60 0.11 -0.54 0.23 0.00 0.00 176.35 176.17 1ejx s LYS 2050N 2.39 3.80 0.12 1.70 3.01 0.50 -4.90 119.74 126.35 1ejx s LYS 2050Ca 0.55 -0.40 -0.24 0.00 -1.01 0.00 0.00 55.97 54.86 1ejx s LYS 2050Cb -0.23 -3.44 0.08 0.00 -1.01 0.00 0.00 37.83 33.23 1ejx s LYS 2050CO 0.20 -0.14 1.11 -0.59 0.51 0.00 0.00 175.35 176.44 1ejx s PHE 2051N 1.55 0.03 -0.68 3.18 -0.12 -1.26 -1.50 117.98 119.18 1ejx s PHE 2051Ca 0.06 -0.34 -0.26 0.00 -0.05 0.00 0.00 56.93 56.35 1ejx s PHE 2051Cb -0.15 0.65 0.04 0.00 -0.63 0.00 0.00 43.02 42.93 1ejx s PHE 2051CO 0.06 -0.72 1.17 0.34 -0.05 0.00 0.00 175.22 176.02 1ejx s ASP 2052N -3.42 6.23 0.34 1.98 2.15 -1.26 -4.79 116.67 117.90 1ejx s ASP 2052Ca 0.22 -0.45 0.12 0.00 0.43 0.00 0.00 52.55 52.87 1ejx s ASP 2052Cb -0.01 -2.52 0.60 0.00 -0.30 0.00 0.00 42.92 40.69 1ejx s ASP 2052CO 0.03 -1.63 1.76 0.03 -0.17 0.00 0.00 175.17 175.19 1ejx h ARG 2053N 9.78 0.01 -0.49 4.34 2.47 -1.98 -2.49 114.38 126.02 1ejx h ARG 2053Ca -0.27 -0.01 -0.08 0.00 -1.26 0.00 0.00 59.98 58.36 1ejx h ARG 2053Cb 1.06 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.36 1ejx h ARG 2053CO 1.22 0.45 -0.01 0.37 0.56 0.00 0.00 179.97 182.56 1ejx h GLN 2054N 0.01 0.82 -0.21 0.04 4.15 -1.96 -2.49 115.11 115.48 1ejx h GLN 2054Ca -0.00 -0.23 -0.11 0.00 0.77 0.00 0.00 58.65 59.08 1ejx h GLN 2054Cb 0.79 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.37 1ejx h GLN 2054CO 0.06 0.84 -0.33 0.37 -1.93 0.00 0.00 178.83 177.83 1ejx h GLN 2055N 0.76 0.43 -0.00 1.69 4.15 -1.85 -2.98 115.11 117.31 1ejx h GLN 2055Ca 0.14 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1ejx h GLN 2055Cb 0.48 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.16 1ejx h GLN 2055CO 0.02 0.72 -0.13 0.00 -1.93 0.00 0.00 178.83 177.51 1ejx n ALA 2056N -2.49 2.76 -1.67 3.38 0.00 -1.07 -4.87 120.51 116.56 1ejx n ALA 2056Ca -0.01 -0.25 -0.48 0.00 0.00 0.00 0.00 53.44 52.70 1ejx n ALA 2056Cb 0.45 -1.34 -0.05 0.00 0.00 0.00 0.00 19.45 18.52 1ejx n ALA 2056CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ejx n ALA 2057N -1.09 0.91 -1.00 0.00 0.00 -0.96 -1.31 120.51 117.07 1ejx n ALA 2057Ca 0.13 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1ejx n ALA 2057Cb 0.29 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.36 1ejx n ALA 2057CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ejx n GLY 2058N 3.75 0.67 3.70 0.00 0.00 -1.26 -5.02 105.19 107.03 1ejx n GLY 2058Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 1ejx n GLY 2058CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ejx s TYR 2059N -2.68 2.95 0.36 1.61 2.02 -0.42 0.26 117.35 121.44 1ejx s TYR 2059Ca 0.00 -0.08 0.04 0.00 -0.37 0.00 0.00 57.07 56.66 1ejx s TYR 2059Cb 0.00 -1.45 -0.06 0.00 -0.40 0.00 0.00 41.96 40.05 1ejx s TYR 2059CO 0.00 0.51 0.06 -0.98 -1.57 0.00 0.00 175.55 173.57 1ejx s ARG 2060N -2.78 1.76 0.20 -0.62 1.70 0.38 -1.47 118.95 118.12 1ejx s ARG 2060Ca 0.28 -2.00 -0.30 0.00 -0.47 0.00 0.00 55.73 53.23 1ejx s ARG 2060Cb -0.10 -0.94 -0.09 0.00 -0.57 0.00 0.00 34.95 33.25 1ejx s ARG 2060CO 0.19 -0.23 1.37 -0.51 -1.08 0.00 0.00 175.30 175.05 1ejx s LEU 2061N -3.55 4.40 -1.26 -1.89 1.43 -1.15 -0.12 118.68 116.53 1ejx s LEU 2061Ca 0.33 2.49 -0.13 0.00 -1.03 0.00 0.00 54.13 55.78 1ejx s LEU 2061Cb 0.07 -3.61 0.15 0.00 0.03 0.00 0.00 46.19 42.83 1ejx s LEU 2061CO 0.15 -0.61 1.68 -3.20 0.23 0.00 0.00 176.35 174.59 1ejx n ASN 2062N 2.78 5.04 -4.14 2.29 5.15 -0.29 -4.64 115.26 121.44 1ejx n ASN 2062Ca 0.07 -3.00 -0.11 0.00 -0.60 0.00 0.00 54.58 50.94 1ejx n ASN 2062Cb 0.42 -1.57 -0.09 0.00 -0.53 0.00 0.00 39.78 38.00 1ejx n ASN 2062CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1ejx s ILE 2063N 1.67 0.03 0.19 -1.44 -4.36 -1.26 -4.90 121.20 111.13 1ejx s ILE 2063Ca 0.44 -1.85 -0.33 0.00 -0.26 0.00 0.00 60.65 58.64 1ejx s ILE 2063Cb 0.03 -2.28 -0.14 0.00 1.25 0.00 0.00 42.46 41.33 1ejx s ILE 2063CO 0.01 -0.16 1.56 -2.65 0.24 0.00 0.00 174.94 173.93 1ejx n PRO 2064N -0.23 2.20 -1.65 0.37 -0.02 -1.26 -4.81 135.00 129.60 1ejx n PRO 2064Ca -0.01 0.79 -0.57 0.00 -2.02 0.00 0.00 63.50 61.69 1ejx n PRO 2064Cb 0.65 -2.55 -0.07 0.00 -0.02 0.00 0.00 33.50 31.51 1ejx n PRO 2064CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ejx n ALA 2065N 3.09 -0.91 0.00 3.55 0.00 -1.26 -1.05 120.51 123.93 1ejx n ALA 2065Ca 0.15 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.06 1ejx n ALA 2065Cb 0.30 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.65 1ejx n ALA 2065CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ejx n GLY 2066N 3.32 2.88 3.90 0.00 0.00 -1.26 -5.05 105.19 108.98 1ejx n GLY 2066Ca 0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.97 1ejx n GLY 2066CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ejx s THR 2067N -2.77 2.29 0.21 2.61 -4.23 -0.22 -4.80 115.64 108.73 1ejx s THR 2067Ca 0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.47 1ejx s THR 2067Cb 0.00 -3.07 -0.03 0.00 1.34 0.00 0.00 72.50 70.74 1ejx s THR 2067CO 0.00 -0.09 0.22 0.00 -0.54 0.00 0.00 174.62 174.21 1ejx s ALA 2068N -3.47 0.72 -0.10 3.99 0.00 -1.26 -0.73 121.76 120.92 1ejx s ALA 2068Ca 0.61 -1.43 0.02 0.00 0.00 0.00 0.00 51.96 51.16 1ejx s ALA 2068Cb -0.11 1.24 -0.01 0.00 0.00 0.00 0.00 23.12 24.24 1ejx s ALA 2068CO 0.48 -0.65 -0.17 0.08 0.00 0.00 0.00 175.76 175.50 1ejx s VAL 2069N -4.11 2.75 0.02 0.00 1.01 0.22 -4.88 120.40 115.41 1ejx s VAL 2069Ca 0.33 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 1ejx s VAL 2069Cb 0.05 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1ejx s VAL 2069CO 0.10 0.55 0.15 -0.60 0.00 0.00 0.00 175.10 175.29 1ejx s ARG 2070N 0.08 3.26 -0.22 2.72 3.52 -1.26 -0.42 118.95 126.63 1ejx s ARG 2070Ca -0.07 -0.44 -0.01 0.00 -0.13 0.00 0.00 55.73 55.08 1ejx s ARG 2070Cb -0.15 -2.97 0.06 0.00 -1.56 0.00 0.00 34.95 30.33 1ejx s ARG 2070CO 0.05 0.64 -0.01 -0.06 -0.81 0.00 0.00 175.30 175.11 1ejx s PHE 2071N -1.34 1.75 0.88 5.12 0.08 0.13 -4.98 117.98 119.62 1ejx s PHE 2071Ca 0.28 -1.34 -0.12 0.00 0.12 0.00 0.00 56.93 55.88 1ejx s PHE 2071Cb -0.12 -1.32 0.12 0.00 -0.57 0.00 0.00 43.02 41.12 1ejx s PHE 2071CO 0.20 -0.70 1.10 -1.21 -0.10 0.00 0.00 175.22 174.51 1ejx s GLU 2072N 1.61 1.41 0.11 0.44 0.41 -1.26 -1.37 118.70 120.05 1ejx s GLU 2072Ca -0.03 0.59 -0.34 0.00 -0.41 0.00 0.00 54.97 54.78 1ejx s GLU 2072Cb -0.18 -1.84 -0.14 0.00 -1.78 0.00 0.00 34.13 30.19 1ejx s GLU 2072CO -0.07 -2.08 1.60 -2.30 -0.49 0.00 0.00 175.26 171.92 1ejx n PRO 2073N -3.74 2.03 -0.58 0.39 -0.02 -1.26 -0.52 135.00 131.31 1ejx n PRO 2073Ca 0.07 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1ejx n PRO 2073Cb 0.57 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1ejx n PRO 2073CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ejx n GLY 2074N 3.48 1.76 3.76 -1.23 0.00 0.30 -4.98 105.19 108.28 1ejx n GLY 2074Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1ejx n GLY 2074CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ejx s GLN 2075N -0.03 4.73 -0.25 1.61 0.74 0.32 -4.68 119.66 122.09 1ejx s GLN 2075Ca 0.00 1.55 0.02 0.00 0.05 0.00 0.00 55.36 56.98 1ejx s GLN 2075Cb 0.00 -3.15 0.05 0.00 1.10 0.00 0.00 33.01 31.01 1ejx s GLN 2075CO 0.00 0.38 -0.11 -1.59 -0.55 0.00 0.00 175.29 173.42 1ejx s LYS 2076N -1.44 2.39 0.12 1.67 0.00 -1.26 -0.73 119.74 120.50 1ejx s LYS 2076Ca 0.44 -1.25 0.05 0.00 0.00 0.00 0.00 55.97 55.21 1ejx s LYS 2076Cb -0.26 -2.88 -0.04 0.00 0.00 0.00 0.00 37.83 34.65 1ejx s LYS 2076CO 0.33 -0.51 -0.12 -0.98 0.00 0.00 0.00 175.35 174.06 1ejx s ARG 2077N 1.15 0.99 -0.22 1.78 1.70 -0.07 -4.95 118.95 119.33 1ejx s ARG 2077Ca -0.06 -1.27 -0.11 0.00 -0.47 0.00 0.00 55.73 53.81 1ejx s ARG 2077Cb -0.19 -0.73 -0.05 0.00 -0.57 0.00 0.00 34.95 33.41 1ejx s ARG 2077CO -0.06 0.12 0.20 -2.00 -1.08 0.00 0.00 175.30 172.48 1ejx s GLU 2078N -2.98 4.14 0.20 3.89 2.12 -1.26 0.16 118.70 124.96 1ejx s GLU 2078Ca 0.10 -0.15 0.09 0.00 0.36 0.00 0.00 54.97 55.37 1ejx s GLU 2078Cb -0.02 -3.50 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 1ejx s GLU 2078CO 0.02 0.13 -0.11 0.14 -0.54 0.00 0.00 175.26 174.89 1ejx s VAL 2079N 0.85 3.06 -0.16 3.70 -7.23 -0.34 -4.91 120.40 115.37 1ejx s VAL 2079Ca 0.10 -1.78 -0.07 0.00 -1.81 0.00 0.00 61.98 58.42 1ejx s VAL 2079Cb -0.13 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 1ejx s VAL 2079CO 0.03 -0.15 0.09 -0.70 -0.31 0.00 0.00 175.10 174.06 1ejx s GLU 2080N -2.93 3.77 0.19 4.82 2.12 -1.26 -1.31 118.70 124.10 1ejx s GLU 2080Ca 0.25 -0.27 0.10 0.00 0.36 0.00 0.00 54.97 55.41 1ejx s GLU 2080Cb -0.08 -3.20 -0.04 0.00 0.26 0.00 0.00 34.13 31.06 1ejx s GLU 2080CO 0.15 0.46 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.68 1ejx s LEU 2081N -0.15 2.80 -0.01 2.70 1.43 0.14 -1.14 118.68 124.46 1ejx s LEU 2081Ca 0.09 -0.68 0.04 0.00 -1.03 0.00 0.00 54.13 52.54 1ejx s LEU 2081Cb -0.12 -1.49 -0.01 0.00 0.03 0.00 0.00 46.19 44.60 1ejx s LEU 2081CO 0.01 0.10 -0.13 0.54 0.23 0.00 0.00 176.35 177.11 1ejx s VAL 2082N -1.74 0.99 0.40 -1.59 0.11 0.84 -1.88 120.40 117.52 1ejx s VAL 2082Ca 0.24 -0.56 -0.27 0.00 -2.93 0.00 0.00 61.98 58.47 1ejx s VAL 2082Cb -0.08 -0.83 -0.09 0.00 -1.53 0.00 0.00 36.38 33.85 1ejx s VAL 2082CO 0.14 0.26 1.36 0.00 -3.33 0.00 0.00 175.10 173.53 1ejx s ALA 2083N -0.32 3.34 0.78 1.54 0.00 0.32 -0.47 121.76 126.95 1ejx s ALA 2083Ca 0.05 1.35 -0.14 0.00 0.00 0.00 0.00 51.96 53.22 1ejx s ALA 2083Cb -0.05 -3.53 0.07 0.00 0.00 0.00 0.00 23.12 19.61 1ejx s ALA 2083CO -0.00 -0.92 1.21 -0.06 0.00 0.00 0.00 175.76 175.98 1ejx s PHE 2084N -1.21 1.89 0.00 0.00 0.08 0.14 -4.83 117.98 114.06 1ejx s PHE 2084Ca 0.56 1.64 0.00 0.00 0.12 0.00 0.00 56.93 59.25 1ejx s PHE 2084Cb -0.41 -3.49 0.00 0.00 -0.57 0.00 0.00 43.02 38.55 1ejx s PHE 2084CO 0.54 -2.78 0.00 0.00 -0.10 0.00 0.00 175.22 172.87 1ejx n ALA 2085N -3.06 0.00 -0.94 5.36 0.00 -1.26 -4.83 120.51 115.78 1ejx n ALA 2085Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1ejx n ALA 2085Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1ejx n ALA 2085CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ejx n GLY 2086N 3.84 2.88 0.00 0.00 0.00 -1.26 -0.85 105.19 109.81 1ejx n GLY 2086Ca 0.00 -0.38 0.11 0.00 0.00 0.00 0.00 46.02 45.75 1ejx n GLY 2086CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ejx n HIS 2087N 13.88 0.00 -3.79 1.61 8.25 -1.26 -4.89 115.22 129.02 1ejx n HIS 2087Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.23 1ejx n HIS 2087Cb 0.00 -0.37 0.02 0.00 1.12 0.00 0.00 29.99 30.76 1ejx n HIS 2087CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1ejx n ARG 2088N -1.37 -4.57 -4.79 -0.41 1.74 -0.03 -4.80 116.66 102.44 1ejx n ARG 2088Ca 0.09 0.56 -0.33 0.00 -0.77 0.00 0.00 57.85 57.41 1ejx n ARG 2088Cb 0.22 -5.06 -0.15 0.00 -1.02 0.00 0.00 32.46 26.45 1ejx n ARG 2088CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ejx s ALA 2089N -3.70 2.46 -0.24 7.54 0.00 -1.26 -0.28 121.76 126.29 1ejx s ALA 2089Ca 0.08 -0.97 -0.04 0.00 0.00 0.00 0.00 51.96 51.03 1ejx s ALA 2089Cb -0.04 -1.12 0.00 0.00 0.00 0.00 0.00 23.12 21.96 1ejx s ALA 2089CO 0.83 0.15 -0.03 0.08 0.00 0.00 0.00 175.76 176.80 1ejx s VAL 2090N 0.52 3.37 -0.01 0.00 1.01 0.51 -4.93 120.40 120.88 1ejx s VAL 2090Ca -0.11 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.31 1ejx s VAL 2090Cb -0.16 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 1ejx s VAL 2090CO 0.04 0.33 -0.17 -0.36 0.00 0.00 0.00 175.10 174.94 1ejx s PHE 2091N 1.45 1.52 0.00 5.22 0.40 -1.26 0.12 117.98 125.44 1ejx s PHE 2091Ca 0.04 -0.29 0.00 0.00 -0.60 0.00 0.00 56.93 56.08 1ejx s PHE 2091Cb -0.15 -0.98 0.00 0.00 0.51 0.00 0.00 43.02 42.40 1ejx s PHE 2091CO -0.03 -0.02 0.00 0.41 0.70 0.00 0.00 175.22 176.29 1ejx n GLY 2092N 2.60 0.28 7.00 4.36 0.00 -1.26 -4.95 105.19 113.22 1ejx n GLY 2092Ca -0.15 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.04 1ejx n GLY 2092CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ejx n PHE 2093N 0.00 0.00 0.14 1.61 3.01 -1.26 -0.20 117.46 120.76 1ejx n PHE 2093Ca 0.00 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.57 1ejx n PHE 2093Cb 0.00 0.00 0.27 0.00 -0.01 0.00 0.00 39.48 39.74 1ejx n PHE 2093CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1ejx n ARG 2094N 13.00 2.44 -1.63 -1.08 1.74 -1.26 -4.91 116.66 124.96 1ejx n ARG 2094Ca 0.00 -2.22 -0.03 0.00 -0.77 0.00 0.00 57.85 54.83 1ejx n ARG 2094Cb 0.00 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 29.94 1ejx n ARG 2094CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ejx n GLY 2095N 1.49 0.41 0.07 -0.13 0.00 0.72 -4.95 105.19 102.81 1ejx n GLY 2095Ca 0.21 -0.82 0.12 0.00 0.00 0.00 0.00 46.02 45.52 1ejx n GLY 2095CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ejx n GLU 2096N -2.03 0.29 0.05 1.61 1.02 -1.26 -4.64 120.64 115.68 1ejx n GLU 2096Ca -0.04 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1ejx n GLU 2096Cb 0.34 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 1ejx n GLU 2096CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ejx n VAL 2097N -2.15 0.61 -3.61 2.62 0.31 -1.26 -5.02 118.33 109.82 1ejx n VAL 2097Ca 0.04 0.20 -0.22 0.00 -0.01 0.00 0.00 64.34 64.35 1ejx n VAL 2097Cb 0.44 -1.13 0.06 0.00 -0.91 0.00 0.00 33.84 32.30 1ejx n VAL 2097CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1ejx n MET 2098N -3.13 -6.24 -3.62 5.55 2.81 0.12 -4.89 117.12 107.72 1ejx n MET 2098Ca 0.00 0.74 0.00 0.00 -1.81 0.00 0.00 57.70 56.63 1ejx n MET 2098Cb 0.00 -5.61 0.00 0.00 -0.71 0.00 0.00 33.22 26.90 1ejx n MET 2098CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ejx n GLY 2099N -1.52 -0.64 3.75 3.03 0.00 -0.28 -4.93 105.19 104.59 1ejx n GLY 2099Ca -0.19 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 1ejx n GLY 2099CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ejx s PRO 2100N -1.24 4.25 0.00 1.61 0.02 -1.26 -0.36 135.00 138.02 1ejx s PRO 2100Ca 0.00 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.36 1ejx s PRO 2100Cb 0.00 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.43 1ejx s PRO 2100CO 0.00 -0.44 0.00 1.28 -0.33 0.00 0.00 177.00 177.51