#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1eju s ILE 2002N 0.00 1.05 -0.02 1.12 1.01 -1.26 -5.10 121.20 117.99 1eju s ILE 2002Ca 0.00 -0.39 -0.37 0.00 0.00 0.00 0.00 60.65 59.90 1eju s ILE 2002Cb 0.00 -1.11 -0.15 0.00 0.01 0.00 0.00 42.46 41.20 1eju s ILE 2002CO 0.00 0.30 1.57 -2.65 0.00 0.00 0.00 174.94 174.16 1eju n PRO 2003N 4.92 1.47 -1.72 2.79 -0.02 -1.26 -1.78 135.00 139.40 1eju n PRO 2003Ca -0.12 0.53 -0.17 0.00 -2.02 0.00 0.00 63.50 61.72 1eju n PRO 2003Cb 0.49 -2.24 -0.05 0.00 -0.02 0.00 0.00 33.50 31.68 1eju n PRO 2003CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1eju n GLY 2004N 3.40 1.10 3.75 -1.23 0.00 -1.26 -4.97 105.19 105.97 1eju n GLY 2004Ca 0.21 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1eju n GLY 2004CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1eju s GLU 2005N -3.82 2.56 0.28 1.61 -1.05 -0.73 -5.03 118.70 112.51 1eju s GLU 2005Ca 0.00 1.61 0.01 0.00 -0.15 0.00 0.00 54.97 56.45 1eju s GLU 2005Cb 0.00 -1.90 -0.03 0.00 -0.44 0.00 0.00 34.13 31.76 1eju s GLU 2005CO 0.00 -1.48 0.46 0.71 0.95 0.00 0.00 175.26 175.89 1eju s TYR 2006N -2.07 3.48 -0.46 4.83 4.12 -1.26 -5.05 117.35 120.94 1eju s TYR 2006Ca 0.72 0.25 0.05 0.00 0.02 0.00 0.00 57.07 58.10 1eju s TYR 2006Cb -0.26 -1.80 0.19 0.00 -1.52 0.00 0.00 41.96 38.57 1eju s TYR 2006CO 0.41 0.28 0.41 1.58 0.02 0.00 0.00 175.55 178.25 1eju n HIS 2007N -1.38 -0.00 -2.48 2.71 -0.00 -1.26 -5.10 115.22 107.71 1eju n HIS 2007Ca -0.06 -3.54 -0.42 0.00 0.46 0.00 0.00 57.72 54.16 1eju n HIS 2007Cb 0.56 -0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.40 1eju n HIS 2007CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1eju s VAL 2008N -0.48 4.28 0.19 3.57 1.01 -1.26 -5.01 120.40 122.70 1eju s VAL 2008Ca 0.32 1.62 -0.30 0.00 0.00 0.00 0.00 61.98 63.62 1eju s VAL 2008Cb 0.05 -4.04 -0.08 0.00 0.00 0.00 0.00 36.38 32.31 1eju s VAL 2008CO -0.17 0.04 1.13 -1.59 0.00 0.00 0.00 175.10 174.50 1eju s LYS 2009N 1.84 4.57 0.73 2.72 -2.85 -1.26 -4.99 119.74 120.50 1eju s LYS 2009Ca 0.56 1.77 -0.16 0.00 -1.00 0.00 0.00 55.97 57.14 1eju s LYS 2009Cb -0.25 -3.26 0.03 0.00 -2.06 0.00 0.00 37.83 32.29 1eju s LYS 2009CO 0.24 0.04 1.19 -0.35 0.10 0.00 0.00 175.35 176.56 1eju n PRO 2010N 2.31 0.60 0.00 1.78 -0.04 -1.26 -4.92 135.00 133.47 1eju n PRO 2010Ca 0.03 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 1eju n PRO 2010Cb 0.46 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 1eju n PRO 2010CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1eju n GLY 2011N 0.81 0.84 3.18 0.55 0.00 -1.26 -5.12 105.19 104.18 1eju n GLY 2011Ca 0.14 -2.00 -0.11 0.00 0.00 0.00 0.00 46.02 44.06 1eju n GLY 2011CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1eju s GLN 2012N -1.47 0.96 -0.07 1.61 -0.21 -1.26 -5.15 119.66 114.07 1eju s GLN 2012Ca 0.00 -1.45 0.05 0.00 0.02 0.00 0.00 55.36 53.98 1eju s GLN 2012Cb 0.00 0.01 -0.01 0.00 1.00 0.00 0.00 33.01 34.01 1eju s GLN 2012CO 0.00 -0.18 -0.23 0.42 -2.12 0.00 0.00 175.29 173.18 1eju s ILE 2013N -3.85 2.22 -0.17 1.08 -1.09 -1.26 -5.11 121.20 113.02 1eju s ILE 2013Ca 0.21 -1.00 -0.17 0.00 -2.23 0.00 0.00 60.65 57.47 1eju s ILE 2013Cb 0.07 -1.83 -0.04 0.00 -1.58 0.00 0.00 42.46 39.08 1eju s ILE 2013CO 0.01 0.57 0.44 0.00 -1.23 0.00 0.00 174.94 174.72 1eju s ALA 2014N -0.08 3.53 -0.05 9.38 0.00 -1.26 -5.07 121.76 128.22 1eju s ALA 2014Ca -0.06 -0.37 -0.05 0.00 0.00 0.00 0.00 51.96 51.48 1eju s ALA 2014Cb -0.14 -2.64 -0.04 0.00 0.00 0.00 0.00 23.12 20.29 1eju s ALA 2014CO 0.04 -0.17 0.18 -0.51 0.00 0.00 0.00 175.76 175.31 1eju s LEU 2015N 1.03 4.38 -1.43 0.00 1.43 -1.26 -4.58 118.68 118.24 1eju s LEU 2015Ca 0.22 0.43 -0.05 0.00 -1.03 0.00 0.00 54.13 53.70 1eju s LEU 2015Cb -0.15 -2.43 0.03 0.00 0.03 0.00 0.00 46.19 43.67 1eju s LEU 2015CO 0.09 0.31 0.64 0.59 0.23 0.00 0.00 176.35 178.21 1eju n ASN 2016N 1.34 -1.65 -4.77 2.29 5.03 -1.26 -4.92 115.26 111.31 1eju n ASN 2016Ca -0.14 -0.91 -0.39 0.00 0.87 0.00 0.00 54.58 54.00 1eju n ASN 2016Cb 0.53 -3.45 -0.01 0.00 -1.02 0.00 0.00 39.78 35.83 1eju n ASN 2016CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1eju s THR 2017N -3.69 2.82 -0.35 3.41 -4.23 -1.26 -3.37 115.64 108.98 1eju s THR 2017Ca 0.20 0.74 0.00 0.00 -1.18 0.00 0.00 61.69 61.45 1eju s THR 2017Cb -0.10 -3.44 0.00 0.00 1.34 0.00 0.00 72.50 70.30 1eju s THR 2017CO 0.86 0.11 0.00 0.61 -0.54 0.00 0.00 174.62 175.66 1eju n GLY 2018N 0.70 0.64 3.53 3.99 0.00 -1.26 -5.04 105.19 107.75 1eju n GLY 2018Ca 0.03 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 45.00 1eju n GLY 2018CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1eju s ARG 2019N -2.00 2.24 0.24 1.61 1.81 -1.22 -5.09 118.95 116.54 1eju s ARG 2019Ca 0.00 -0.91 -0.30 0.00 -1.72 0.00 0.00 55.73 52.80 1eju s ARG 2019Cb 0.00 -2.32 -0.10 0.00 -0.45 0.00 0.00 34.95 32.08 1eju s ARG 2019CO 0.00 0.55 1.42 0.00 -0.68 0.00 0.00 175.30 176.59 1eju s ALA 2020N -1.02 3.61 0.21 2.13 0.00 -1.26 -4.87 121.76 120.56 1eju s ALA 2020Ca 0.17 1.29 0.05 0.00 0.00 0.00 0.00 51.96 53.48 1eju s ALA 2020Cb -0.11 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.42 1eju s ALA 2020CO 0.08 -0.71 -0.07 0.95 0.00 0.00 0.00 175.76 176.01 1eju s THR 2021N -0.02 1.36 -0.07 0.00 -4.23 -1.26 -1.18 115.64 110.23 1eju s THR 2021Ca 0.59 -2.10 -0.29 0.00 -1.18 0.00 0.00 61.69 58.70 1eju s THR 2021Cb -0.41 -2.16 0.07 0.00 1.34 0.00 0.00 72.50 71.34 1eju s THR 2021CO 0.43 -0.50 0.66 0.00 -0.54 0.00 0.00 174.62 174.67 1eju s ARG 2023N -1.01 2.94 -0.00 0.00 0.52 -1.26 0.14 118.95 120.27 1eju s ARG 2023Ca -0.10 -0.44 0.00 0.00 -0.52 0.00 0.00 55.73 54.68 1eju s ARG 2023Cb -0.01 -2.76 0.00 0.00 0.52 0.00 0.00 34.95 32.71 1eju s ARG 2023CO 0.09 0.69 -0.00 0.14 0.02 0.00 0.00 175.30 176.24 1eju s VAL 2024N -0.89 0.05 -0.19 3.52 -7.23 -0.50 -4.97 120.40 110.18 1eju s VAL 2024Ca 0.14 -0.01 -0.25 0.00 -1.81 0.00 0.00 61.98 60.05 1eju s VAL 2024Cb -0.11 -0.06 -0.01 0.00 0.56 0.00 0.00 36.38 36.75 1eju s VAL 2024CO 0.03 0.02 0.83 -0.69 -0.31 0.00 0.00 175.10 174.98 1eju s VAL 2025N 0.09 4.87 -0.03 1.32 1.01 -1.26 -1.24 120.40 125.16 1eju s VAL 2025Ca -0.01 1.61 0.05 0.00 0.00 0.00 0.00 61.98 63.63 1eju s VAL 2025Cb -0.02 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 1eju s VAL 2025CO -0.00 0.00 -0.18 -0.69 0.00 0.00 0.00 175.10 174.23 1eju s VAL 2026N 2.34 2.77 -0.07 2.92 1.01 0.89 -4.58 120.40 125.69 1eju s VAL 2026Ca 0.37 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.45 1eju s VAL 2026Cb -0.16 -2.07 0.02 0.00 0.00 0.00 0.00 36.38 34.17 1eju s VAL 2026CO 0.11 0.55 -0.03 -0.70 0.00 0.00 0.00 175.10 175.02 1eju s GLU 2027N -0.82 0.85 -0.53 2.72 2.12 -0.74 -0.33 118.70 121.97 1eju s GLU 2027Ca 0.12 -0.04 -0.29 0.00 0.36 0.00 0.00 54.97 55.12 1eju s GLU 2027Cb -0.10 -1.01 0.03 0.00 0.26 0.00 0.00 34.13 33.30 1eju s GLU 2027CO 0.01 -0.20 1.17 1.21 -0.54 0.00 0.00 175.26 176.91 1eju s ASN 2028N 1.47 6.54 0.00 -1.70 2.47 0.48 -0.46 114.94 123.73 1eju s ASN 2028Ca -0.02 0.28 0.26 0.00 0.42 0.00 0.00 52.86 53.81 1eju s ASN 2028Cb -0.13 -2.55 0.82 0.00 -1.45 0.00 0.00 41.25 37.94 1eju s ASN 2028CO -0.03 -1.37 1.61 1.41 -3.72 0.00 0.00 177.10 175.00 1eju n HIS 2029N 8.15 0.03 -2.12 0.43 8.25 -0.37 -0.20 115.22 129.39 1eju n HIS 2029Ca 0.10 -0.01 -0.27 0.00 -0.26 0.00 0.00 57.72 57.28 1eju n HIS 2029Cb 0.49 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.68 1eju n HIS 2029CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1eju s GLY 2030N -1.96 1.67 0.00 -1.41 0.00 -1.25 -4.87 107.32 99.50 1eju s GLY 2030Ca 0.35 -0.88 0.23 0.00 0.00 0.00 0.00 44.72 44.42 1eju s GLY 2030CO 0.32 -0.43 1.41 2.09 0.00 0.00 0.00 173.10 176.49 1eju n ASP 2031N -3.07 3.34 -4.15 1.64 5.75 -1.26 -3.94 116.55 114.86 1eju n ASP 2031Ca 0.08 -1.98 -0.18 0.00 -0.01 0.00 0.00 54.79 52.70 1eju n ASP 2031Cb 0.61 -0.23 -0.12 0.00 -1.03 0.00 0.00 41.12 40.34 1eju n ASP 2031CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1eju s ARG 2032N -1.54 0.81 0.52 0.11 0.52 -1.26 -4.86 118.95 113.26 1eju s ARG 2032Ca 0.38 -0.86 -0.22 0.00 -0.52 0.00 0.00 55.73 54.51 1eju s ARG 2032Cb 0.22 -0.79 -0.06 0.00 0.52 0.00 0.00 34.95 34.84 1eju s ARG 2032CO 0.31 0.18 1.27 -1.25 0.02 0.00 0.00 175.30 175.84 1eju s PRO 2033N -1.52 3.35 -0.05 3.54 0.04 -1.26 -4.46 135.00 134.65 1eju s PRO 2033Ca -0.02 2.02 0.03 0.00 0.04 0.00 0.00 61.00 63.07 1eju s PRO 2033Cb -0.09 -2.28 0.01 0.00 0.04 0.00 0.00 34.50 32.17 1eju s PRO 2033CO 0.02 -0.96 -0.12 0.42 0.04 0.00 0.00 177.00 176.41 1eju s ILE 2034N -1.42 1.03 -0.08 0.56 1.01 -0.50 -5.01 121.20 116.80 1eju s ILE 2034Ca 0.69 -0.46 0.02 0.00 0.00 0.00 0.00 60.65 60.90 1eju s ILE 2034Cb -0.35 -0.93 0.01 0.00 0.01 0.00 0.00 42.46 41.20 1eju s ILE 2034CO 0.41 0.32 -0.13 -1.58 0.00 0.00 0.00 174.94 173.97 1eju s GLN 2035N 0.41 1.81 -0.11 2.79 0.74 -1.26 0.12 119.66 124.15 1eju s GLN 2035Ca -0.09 -0.44 -0.01 0.00 0.05 0.00 0.00 55.36 54.88 1eju s GLN 2035Cb -0.13 -1.53 -0.02 0.00 1.10 0.00 0.00 33.01 32.43 1eju s GLN 2035CO 0.02 -0.01 -0.09 0.08 -0.55 0.00 0.00 175.29 174.74 1eju s VAL 2036N 0.81 3.47 0.58 1.34 1.01 0.17 -4.94 120.40 122.83 1eju s VAL 2036Ca -0.11 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.22 1eju s VAL 2036Cb -0.15 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 1eju s VAL 2036CO 0.02 0.54 0.98 -0.83 0.00 0.00 0.00 175.10 175.81 1eju s GLY 2037N -0.06 1.71 0.36 4.51 0.00 -1.26 -1.27 107.32 111.31 1eju s GLY 2037Ca -0.01 -0.11 0.10 0.00 0.00 0.00 0.00 44.72 44.71 1eju s GLY 2037CO 0.03 0.15 1.86 1.48 0.00 0.00 0.00 173.10 176.61 1eju h SER 2038N -0.00 0.62 -0.47 1.64 4.64 -1.60 -2.88 113.55 115.51 1eju h SER 2038Ca -0.45 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1eju h SER 2038Cb 1.19 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1eju h SER 2038CO 0.62 0.29 0.00 1.41 -0.87 0.00 0.00 176.83 178.28 1eju n HIS 2039N -4.57 0.62 -2.38 4.77 8.25 -1.26 -2.88 115.22 117.76 1eju n HIS 2039Ca 0.18 -0.44 -0.39 0.00 -0.26 0.00 0.00 57.72 56.80 1eju n HIS 2039Cb 0.52 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.59 1eju n HIS 2039CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1eju s TYR 2040N -1.04 3.34 -0.59 4.41 5.04 -1.09 -4.91 117.35 122.51 1eju s TYR 2040Ca 0.33 1.61 -0.27 0.00 -2.44 0.00 0.00 57.07 56.31 1eju s TYR 2040Cb 0.18 -3.36 -0.02 0.00 0.35 0.00 0.00 41.96 39.11 1eju s TYR 2040CO 0.23 -0.95 1.87 -1.58 -1.34 0.00 0.00 175.55 173.78 1eju s HIS 2041N -1.27 1.66 0.43 4.97 5.65 -1.26 -4.45 115.29 121.01 1eju s HIS 2041Ca 0.50 0.80 0.22 0.00 0.25 0.00 0.00 55.06 56.82 1eju s HIS 2041Cb -0.32 -4.08 1.19 0.00 -1.18 0.00 0.00 32.58 28.19 1eju s HIS 2041CO 0.41 -2.34 1.80 0.35 -0.65 0.00 0.00 174.74 174.31 1eju h PHE 2042N 14.92 0.50 0.00 3.88 3.57 -1.57 -0.14 116.94 138.09 1eju h PHE 2042Ca -0.26 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.25 1eju h PHE 2042Cb 1.16 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.76 1eju h PHE 2042CO 1.04 0.06 0.00 0.00 -2.23 0.00 0.00 178.31 177.18 1eju h ALA 2043N 1.58 1.00 -0.26 2.41 0.00 -1.78 -2.90 119.26 119.32 1eju h ALA 2043Ca 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.43 1eju h ALA 2043Cb 1.56 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 1eju h ALA 2043CO -0.21 0.00 -0.01 0.39 0.00 0.00 0.00 179.25 179.42 1eju n GLU 2044N -2.35 2.61 -1.21 0.00 1.02 -0.06 -4.98 120.64 115.67 1eju n GLU 2044Ca 0.01 -2.88 -0.30 0.00 -0.02 0.00 0.00 57.16 53.97 1eju n GLU 2044Cb 0.17 -1.82 0.22 0.00 -0.02 0.00 0.00 31.44 29.99 1eju n GLU 2044CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1eju s VAL 2045N -2.90 1.71 -0.12 2.62 -7.23 -1.10 -4.46 120.40 108.92 1eju s VAL 2045Ca 0.42 0.00 -0.39 0.00 -1.81 0.00 0.00 61.98 60.20 1eju s VAL 2045Cb 0.35 -2.56 -0.17 0.00 0.56 0.00 0.00 36.38 34.56 1eju s VAL 2045CO 0.07 0.00 1.51 -3.20 -0.31 0.00 0.00 175.10 173.17 1eju n ASN 2046N -4.54 1.80 0.30 4.85 2.85 -1.26 -4.81 115.26 114.45 1eju n ASN 2046Ca 0.12 1.11 0.13 0.00 -0.11 0.00 0.00 54.58 55.83 1eju n ASN 2046Cb 0.59 -1.13 0.68 0.00 1.24 0.00 0.00 39.78 41.17 1eju n ASN 2046CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1eju h PRO 2047N 5.60 0.00 0.00 1.20 0.11 -1.99 -0.76 132.00 136.17 1eju h PRO 2047Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1eju h PRO 2047Cb 1.34 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.45 1eju h PRO 2047CO 0.86 0.00 -0.05 0.00 -0.21 0.00 0.00 178.00 178.60 1eju h ALA 2048N 1.23 1.00 -2.05 -0.75 0.00 -1.96 -3.42 119.26 113.31 1eju h ALA 2048Ca 0.00 -0.04 -0.58 0.00 0.00 0.00 0.00 54.91 54.29 1eju h ALA 2048Cb 0.73 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 1eju h ALA 2048CO 0.00 0.06 0.80 -0.51 0.00 0.00 0.00 179.25 179.60 1eju s LEU 2049N -6.31 4.06 -0.25 0.00 1.43 -0.29 -1.24 118.68 116.08 1eju s LEU 2049Ca 0.02 1.29 -0.13 0.00 -1.03 0.00 0.00 54.13 54.28 1eju s LEU 2049Cb 0.09 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 1eju s LEU 2049CO 0.58 -0.72 0.28 -0.75 0.23 0.00 0.00 176.35 175.97 1eju s LYS 2050N 3.30 4.06 0.14 1.70 2.20 0.39 -4.91 119.74 126.62 1eju s LYS 2050Ca 0.44 -0.08 -0.24 0.00 -0.36 0.00 0.00 55.97 55.72 1eju s LYS 2050Cb -0.14 -3.59 0.08 0.00 -1.51 0.00 0.00 37.83 32.66 1eju s LYS 2050CO 0.08 -0.10 1.06 -0.59 -0.36 0.00 0.00 175.35 175.44 1eju s PHE 2051N 1.53 -0.01 -0.88 4.03 -0.12 -1.26 -1.78 117.98 119.48 1eju s PHE 2051Ca 0.12 -0.30 -0.25 0.00 -0.05 0.00 0.00 56.93 56.45 1eju s PHE 2051Cb -0.15 0.65 0.02 0.00 -0.63 0.00 0.00 43.02 42.92 1eju s PHE 2051CO 0.08 -0.77 1.50 0.34 -0.05 0.00 0.00 175.22 176.32 1eju s ASP 2052N -3.21 6.09 0.38 1.98 2.15 -1.26 -4.84 116.67 117.96 1eju s ASP 2052Ca 0.18 -0.86 0.09 0.00 0.43 0.00 0.00 52.55 52.39 1eju s ASP 2052Cb -0.01 -2.56 0.76 0.00 -0.30 0.00 0.00 42.92 40.81 1eju s ASP 2052CO 0.03 -1.86 1.91 0.03 -0.17 0.00 0.00 175.17 175.11 1eju h ARG 2053N 10.57 0.28 -0.92 4.34 2.47 -1.97 -2.80 114.38 126.35 1eju h ARG 2053Ca -0.01 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.64 1eju h ARG 2053Cb 1.04 -0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 29.27 1eju h ARG 2053CO 1.33 0.40 0.54 0.37 0.56 0.00 0.00 179.97 183.17 1eju h GLN 2054N 0.27 1.25 -0.01 0.04 4.15 -1.96 -2.42 115.11 116.43 1eju h GLN 2054Ca 0.06 -0.12 -0.16 0.00 0.77 0.00 0.00 58.65 59.20 1eju h GLN 2054Cb 0.36 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 1eju h GLN 2054CO 0.02 0.88 -0.73 0.37 -1.93 0.00 0.00 178.83 177.44 1eju h GLN 2055N 1.27 0.10 0.00 1.69 5.75 -1.92 -3.15 115.11 118.85 1eju h GLN 2055Ca 0.33 -0.09 0.00 0.00 -0.15 0.00 0.00 58.65 58.74 1eju h GLN 2055Cb -0.04 0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.53 1eju h GLN 2055CO -0.06 0.78 0.00 0.00 -2.65 0.00 0.00 178.83 176.90 1eju n ALA 2056N -2.43 2.59 -1.80 3.38 0.00 -0.94 -4.85 120.51 116.45 1eju n ALA 2056Ca -0.02 -0.17 -0.42 0.00 0.00 0.00 0.00 53.44 52.83 1eju n ALA 2056Cb 0.71 -1.50 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 1eju n ALA 2056CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1eju s ALA 2057N -2.23 3.62 0.00 0.00 0.00 -1.03 -1.57 121.76 120.55 1eju s ALA 2057Ca 0.39 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.58 1eju s ALA 2057Cb 0.21 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1eju s ALA 2057CO 0.40 -1.43 0.00 0.41 0.00 0.00 0.00 175.76 175.14 1eju n GLY 2058N 4.33 0.56 3.57 0.00 0.00 -1.26 -5.03 105.19 107.36 1eju n GLY 2058Ca 0.18 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 1eju n GLY 2058CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1eju s TYR 2059N -2.00 2.51 0.23 1.61 2.02 -0.61 -0.84 117.35 120.28 1eju s TYR 2059Ca 0.00 -0.29 0.01 0.00 -0.37 0.00 0.00 57.07 56.43 1eju s TYR 2059Cb 0.00 -1.13 -0.04 0.00 -0.40 0.00 0.00 41.96 40.40 1eju s TYR 2059CO 0.00 0.65 0.17 -0.98 -1.57 0.00 0.00 175.55 173.82 1eju s ARG 2060N -3.61 1.35 0.11 -0.62 1.70 -0.20 -1.68 118.95 116.01 1eju s ARG 2060Ca 0.31 -1.73 -0.31 0.00 -0.47 0.00 0.00 55.73 53.53 1eju s ARG 2060Cb -0.05 0.28 -0.07 0.00 -0.57 0.00 0.00 34.95 34.54 1eju s ARG 2060CO 0.18 -0.46 1.32 -0.51 -1.08 0.00 0.00 175.30 174.75 1eju s LEU 2061N -3.22 4.38 -1.33 -1.89 1.43 -1.14 -0.51 118.68 116.40 1eju s LEU 2061Ca 0.39 2.25 -0.12 0.00 -1.03 0.00 0.00 54.13 55.62 1eju s LEU 2061Cb 0.06 -3.59 0.12 0.00 0.03 0.00 0.00 46.19 42.81 1eju s LEU 2061CO 0.16 -0.58 1.92 -3.20 0.23 0.00 0.00 176.35 174.88 1eju n ASN 2062N 3.73 4.74 -4.21 2.29 5.15 -0.26 -4.71 115.26 122.00 1eju n ASN 2062Ca 0.10 -3.00 -0.12 0.00 -0.60 0.00 0.00 54.58 50.95 1eju n ASN 2062Cb 0.44 -1.56 -0.10 0.00 -0.53 0.00 0.00 39.78 38.02 1eju n ASN 2062CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1eju s ILE 2063N 1.61 0.61 0.20 -1.44 -4.36 -1.26 -4.92 121.20 111.64 1eju s ILE 2063Ca 0.43 -1.96 -0.32 0.00 -0.26 0.00 0.00 60.65 58.54 1eju s ILE 2063Cb 0.09 -1.96 -0.15 0.00 1.25 0.00 0.00 42.46 41.69 1eju s ILE 2063CO -0.02 -0.61 1.25 -2.65 0.24 0.00 0.00 174.94 173.15 1eju n PRO 2064N -0.16 1.48 -1.65 0.37 -0.02 -1.26 -4.82 135.00 128.95 1eju n PRO 2064Ca -0.08 0.53 -0.48 0.00 -2.02 0.00 0.00 63.50 61.45 1eju n PRO 2064Cb 0.62 -2.08 -0.05 0.00 -0.02 0.00 0.00 33.50 31.98 1eju n PRO 2064CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1eju n ALA 2065N 1.62 0.76 0.00 3.55 0.00 -1.26 -1.64 120.51 123.54 1eju n ALA 2065Ca 0.14 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1eju n ALA 2065Cb 0.27 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.44 1eju n ALA 2065CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1eju n GLY 2066N 3.23 2.51 3.95 0.00 0.00 -1.26 -5.06 105.19 108.57 1eju n GLY 2066Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 1eju n GLY 2066CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1eju s THR 2067N -2.53 2.12 0.12 2.61 -4.23 -0.65 -4.84 115.64 108.23 1eju s THR 2067Ca 0.00 -0.29 -0.08 0.00 -1.18 0.00 0.00 61.69 60.14 1eju s THR 2067Cb 0.00 -2.82 -0.01 0.00 1.34 0.00 0.00 72.50 71.01 1eju s THR 2067CO 0.00 0.00 0.21 0.00 -0.54 0.00 0.00 174.62 174.29 1eju s ALA 2068N -3.45 -0.03 -0.08 3.99 0.00 -1.26 -1.54 121.76 119.39 1eju s ALA 2068Ca 0.68 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.86 1eju s ALA 2068Cb -0.06 0.66 -0.02 0.00 0.00 0.00 0.00 23.12 23.71 1eju s ALA 2068CO 0.48 -0.56 -0.18 0.08 0.00 0.00 0.00 175.76 175.58 1eju s VAL 2069N -3.92 2.67 -0.04 0.00 1.01 -0.39 -4.95 120.40 114.78 1eju s VAL 2069Ca 0.11 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1eju s VAL 2069Cb 0.04 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 1eju s VAL 2069CO -0.05 0.56 -0.02 -0.60 0.00 0.00 0.00 175.10 174.98 1eju s ARG 2070N -0.18 2.81 -0.22 2.72 3.52 -1.26 -0.66 118.95 125.68 1eju s ARG 2070Ca -0.01 -0.55 -0.00 0.00 -0.13 0.00 0.00 55.73 55.04 1eju s ARG 2070Cb -0.13 -2.67 0.06 0.00 -1.56 0.00 0.00 34.95 30.64 1eju s ARG 2070CO 0.03 0.66 -0.04 -0.06 -0.81 0.00 0.00 175.30 175.08 1eju s PHE 2071N -0.94 2.08 0.68 5.12 0.08 0.12 -4.99 117.98 120.11 1eju s PHE 2071Ca 0.16 -1.51 -0.11 0.00 0.12 0.00 0.00 56.93 55.59 1eju s PHE 2071Cb -0.11 -1.46 -0.00 0.00 -0.57 0.00 0.00 43.02 40.88 1eju s PHE 2071CO 0.05 -0.72 1.06 -1.21 -0.10 0.00 0.00 175.22 174.30 1eju s GLU 2072N 1.50 3.12 0.12 0.44 0.41 -1.26 -1.41 118.70 121.62 1eju s GLU 2072Ca -0.04 0.73 -0.34 0.00 -0.41 0.00 0.00 54.97 54.90 1eju s GLU 2072Cb -0.18 -2.03 -0.14 0.00 -1.78 0.00 0.00 34.13 30.00 1eju s GLU 2072CO -0.07 -0.91 1.57 -2.30 -0.49 0.00 0.00 175.26 173.06 1eju n PRO 2073N -2.97 1.98 -0.36 0.39 -0.02 -1.26 -1.11 135.00 131.65 1eju n PRO 2073Ca 0.07 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1eju n PRO 2073Cb 0.55 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1eju n PRO 2073CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1eju n GLY 2074N 3.36 1.87 3.72 -1.23 0.00 0.72 -5.01 105.19 108.63 1eju n GLY 2074Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1eju n GLY 2074CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1eju s GLN 2075N -0.14 4.39 -0.06 1.61 0.74 -0.27 -4.69 119.66 121.24 1eju s GLN 2075Ca 0.00 1.94 0.05 0.00 0.05 0.00 0.00 55.36 57.40 1eju s GLN 2075Cb 0.00 -3.28 -0.01 0.00 1.10 0.00 0.00 33.01 30.82 1eju s GLN 2075CO 0.00 -0.31 -0.23 0.21 -0.55 0.00 0.00 175.29 174.41 1eju s LYS 2076N 0.78 2.58 -0.03 1.67 2.20 -1.26 -0.39 119.74 125.29 1eju s LYS 2076Ca 0.60 -0.86 -0.29 0.00 -0.36 0.00 0.00 55.97 55.06 1eju s LYS 2076Cb -0.34 -2.22 0.10 0.00 -1.51 0.00 0.00 37.83 33.86 1eju s LYS 2076CO 0.32 0.41 0.82 -0.98 -0.36 0.00 0.00 175.35 175.55 1eju s ARG 2077N -0.22 0.89 -0.20 4.03 1.70 0.55 -4.98 118.95 120.72 1eju s ARG 2077Ca -0.01 -0.07 -0.13 0.00 -0.47 0.00 0.00 55.73 55.05 1eju s ARG 2077Cb -0.13 0.42 -0.05 0.00 -0.57 0.00 0.00 34.95 34.62 1eju s ARG 2077CO 0.03 -0.34 0.26 -2.00 -1.08 0.00 0.00 175.30 172.17 1eju s GLU 2078N -2.20 4.17 0.19 3.89 2.12 -1.26 -0.07 118.70 125.53 1eju s GLU 2078Ca -0.01 -0.03 0.10 0.00 0.36 0.00 0.00 54.97 55.39 1eju s GLU 2078Cb -0.01 -3.49 -0.04 0.00 0.26 0.00 0.00 34.13 30.85 1eju s GLU 2078CO -0.02 0.12 -0.16 0.14 -0.54 0.00 0.00 175.26 174.79 1eju s VAL 2079N 0.87 2.79 -0.17 3.70 -7.23 -0.38 -4.94 120.40 115.04 1eju s VAL 2079Ca 0.13 -1.85 -0.06 0.00 -1.81 0.00 0.00 61.98 58.39 1eju s VAL 2079Cb -0.13 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 1eju s VAL 2079CO 0.04 -0.12 0.02 -0.70 -0.31 0.00 0.00 175.10 174.03 1eju s GLU 2080N -2.78 3.84 0.20 4.82 2.12 -1.26 -1.41 118.70 124.23 1eju s GLU 2080Ca 0.23 -0.41 0.07 0.00 0.36 0.00 0.00 54.97 55.22 1eju s GLU 2080Cb -0.08 -3.09 -0.04 0.00 0.26 0.00 0.00 34.13 31.18 1eju s GLU 2080CO 0.13 0.28 0.07 -0.51 -0.54 0.00 0.00 175.26 174.68 1eju s LEU 2081N 0.33 3.51 -0.01 2.70 1.43 0.12 -1.10 118.68 125.66 1eju s LEU 2081Ca 0.00 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 1eju s LEU 2081Cb -0.13 -2.11 -0.01 0.00 0.03 0.00 0.00 46.19 43.97 1eju s LEU 2081CO 0.01 0.05 -0.10 0.54 0.23 0.00 0.00 176.35 177.08 1eju s VAL 2082N -1.89 0.82 0.40 -1.59 0.11 0.33 -1.65 120.40 116.93 1eju s VAL 2082Ca 0.30 -0.47 -0.25 0.00 -2.93 0.00 0.00 61.98 58.63 1eju s VAL 2082Cb -0.09 -0.69 -0.08 0.00 -1.53 0.00 0.00 36.38 33.99 1eju s VAL 2082CO 0.21 0.21 1.14 0.00 -3.33 0.00 0.00 175.10 173.34 1eju s ALA 2083N -0.28 3.13 0.83 1.54 0.00 -0.32 -1.03 121.76 125.62 1eju s ALA 2083Ca 0.04 0.90 -0.11 0.00 0.00 0.00 0.00 51.96 52.79 1eju s ALA 2083Cb -0.04 -3.36 0.09 0.00 0.00 0.00 0.00 23.12 19.82 1eju s ALA 2083CO -0.00 -0.46 1.13 -0.06 0.00 0.00 0.00 175.76 176.36 1eju s PHE 2084N -1.47 2.10 0.00 0.00 0.08 -0.02 -4.86 117.98 113.81 1eju s PHE 2084Ca 0.57 1.67 0.00 0.00 0.12 0.00 0.00 56.93 59.29 1eju s PHE 2084Cb -0.29 -3.22 0.00 0.00 -0.57 0.00 0.00 43.02 38.95 1eju s PHE 2084CO 0.36 -2.31 0.00 0.00 -0.10 0.00 0.00 175.22 173.17 1eju n ALA 2085N -3.76 0.00 -0.95 5.36 0.00 -1.26 -4.87 120.51 115.03 1eju n ALA 2085Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1eju n ALA 2085Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1eju n ALA 2085CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1eju n GLY 2086N 3.84 3.29 0.07 0.00 0.00 -1.26 -1.30 105.19 109.82 1eju n GLY 2086Ca 0.00 -0.21 0.13 0.00 0.00 0.00 0.00 46.02 45.94 1eju n GLY 2086CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1eju n HIS 2087N 13.91 0.60 -3.60 1.61 8.25 -1.26 -4.92 115.22 129.81 1eju n HIS 2087Ca 0.00 0.17 -0.21 0.00 -0.26 0.00 0.00 57.72 57.42 1eju n HIS 2087Cb 0.00 -0.76 0.06 0.00 1.12 0.00 0.00 29.99 30.41 1eju n HIS 2087CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1eju n ARG 2088N -2.00 -6.20 -4.29 -0.41 1.74 -0.42 -4.74 116.66 100.33 1eju n ARG 2088Ca 0.06 0.75 -0.34 0.00 -0.77 0.00 0.00 57.85 57.54 1eju n ARG 2088Cb 0.40 -5.61 -0.14 0.00 -1.02 0.00 0.00 32.46 26.09 1eju n ARG 2088CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1eju s ALA 2089N -3.44 2.71 -0.25 7.54 0.00 -1.26 0.12 121.76 127.17 1eju s ALA 2089Ca 0.17 -1.04 -0.08 0.00 0.00 0.00 0.00 51.96 51.01 1eju s ALA 2089Cb -0.08 -1.46 -0.03 0.00 0.00 0.00 0.00 23.12 21.54 1eju s ALA 2089CO 0.77 -0.12 0.10 0.08 0.00 0.00 0.00 175.76 176.59 1eju s VAL 2090N 0.95 4.61 -0.02 0.00 1.01 0.49 -4.90 120.40 122.53 1eju s VAL 2090Ca -0.01 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 61.92 1eju s VAL 2090Cb -0.15 -3.16 -0.00 0.00 0.00 0.00 0.00 36.38 33.07 1eju s VAL 2090CO -0.00 0.32 -0.10 -0.36 0.00 0.00 0.00 175.10 174.95 1eju s PHE 2091N 1.60 1.03 0.00 5.22 0.40 -1.26 -0.57 117.98 124.40 1eju s PHE 2091Ca 0.06 -0.24 0.00 0.00 -0.60 0.00 0.00 56.93 56.15 1eju s PHE 2091Cb -0.15 -0.70 0.00 0.00 0.51 0.00 0.00 43.02 42.67 1eju s PHE 2091CO 0.06 -0.08 0.00 0.41 0.70 0.00 0.00 175.22 176.31 1eju n GLY 2092N 3.12 0.55 7.00 4.36 0.00 -1.26 -4.97 105.19 114.00 1eju n GLY 2092Ca -0.17 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1eju n GLY 2092CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1eju n PHE 2093N 0.00 0.00 0.71 1.61 3.01 -1.26 -0.76 117.46 120.77 1eju n PHE 2093Ca 0.00 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.53 1eju n PHE 2093Cb 0.00 0.00 0.20 0.00 -0.01 0.00 0.00 39.48 39.67 1eju n PHE 2093CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1eju n ARG 2094N 14.00 1.95 -2.04 -1.08 1.74 -1.26 -4.92 116.66 125.05 1eju n ARG 2094Ca 0.00 -1.48 -0.12 0.00 -0.77 0.00 0.00 57.85 55.48 1eju n ARG 2094Cb 0.00 -1.33 -0.01 0.00 -1.02 0.00 0.00 32.46 30.09 1eju n ARG 2094CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1eju n GLY 2095N 1.17 0.17 0.13 -0.13 0.00 0.06 -4.94 105.19 101.64 1eju n GLY 2095Ca 0.14 -0.42 0.06 0.00 0.00 0.00 0.00 46.02 45.80 1eju n GLY 2095CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1eju h GLU 2096N 0.00 0.00 0.00 1.61 5.08 -1.92 -3.42 114.58 115.93 1eju h GLU 2096Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1eju h GLU 2096Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1eju h GLU 2096CO 0.33 0.21 0.00 0.28 -1.00 0.00 0.00 179.01 178.83 1eju n VAL 2097N -2.95 0.00 -3.63 3.13 0.31 -1.26 -5.02 118.33 108.90 1eju n VAL 2097Ca -0.02 0.28 -0.23 0.00 -0.01 0.00 0.00 64.34 64.37 1eju n VAL 2097Cb 0.68 -1.25 0.06 0.00 -0.91 0.00 0.00 33.84 32.43 1eju n VAL 2097CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1eju n MET 2098N -2.23 -6.53 -3.43 5.55 2.81 0.07 -4.92 117.12 108.44 1eju n MET 2098Ca 0.00 0.75 0.00 0.00 -1.81 0.00 0.00 57.70 56.64 1eju n MET 2098Cb 0.00 -5.67 0.00 0.00 -0.71 0.00 0.00 33.22 26.84 1eju n MET 2098CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1eju n GLY 2099N -1.61 -1.61 3.74 3.03 0.00 0.27 -4.94 105.19 104.07 1eju n GLY 2099Ca -0.13 -1.07 -0.37 0.00 0.00 0.00 0.00 46.02 44.45 1eju n GLY 2099CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1eju s PRO 2100N -1.46 2.82 0.00 1.61 0.04 -1.26 -0.38 135.00 136.37 1eju s PRO 2100Ca 0.00 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.00 1eju s PRO 2100Cb 0.00 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1eju s PRO 2100CO 0.00 -1.36 0.00 1.28 0.04 0.00 0.00 177.00 176.96