#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k6z h PHE 2004N 0.00 -0.13 -0.66 0.66 3.57 -1.99 0.99 116.94 119.38 1k6z h PHE 2004Ca 0.00 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.63 1k6z h PHE 2004Cb 0.00 0.04 -0.10 0.00 2.79 0.00 0.00 35.95 38.68 1k6z h PHE 2004CO 0.00 0.00 0.11 0.93 -2.23 0.00 0.00 178.31 177.12 1k6z h GLU 2005N -0.24 0.21 -0.22 1.11 3.07 -1.98 0.83 114.58 117.37 1k6z h GLU 2005Ca -0.01 -0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 58.69 1k6z h GLU 2005Cb 0.20 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 1k6z h GLU 2005CO 0.02 0.14 -0.46 1.96 -1.40 0.00 0.00 179.01 179.27 1k6z h GLN 2006N 0.22 0.57 -0.39 2.33 4.20 -1.97 -1.55 115.11 118.53 1k6z h GLN 2006Ca 0.35 -0.32 -0.05 0.00 0.06 0.00 0.00 58.65 58.69 1k6z h GLN 2006Cb 0.57 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 1k6z h GLN 2006CO -0.48 0.92 0.04 0.00 -0.67 0.00 0.00 178.83 178.63 1k6z h ALA 2007N 1.03 0.52 0.87 3.87 0.00 0.11 -2.12 119.26 123.54 1k6z h ALA 2007Ca 0.03 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1k6z h ALA 2007Cb 0.98 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1k6z h ALA 2007CO 0.09 0.25 -0.46 0.82 0.00 0.00 0.00 179.25 179.95 1k6z h ILE 2008N 0.49 0.06 -0.76 0.00 1.08 -0.94 -2.00 117.51 115.44 1k6z h ILE 2008Ca 0.11 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.72 1k6z h ILE 2008Cb 0.41 0.06 -0.14 0.00 -3.07 0.00 0.00 36.82 34.09 1k6z h ILE 2008CO 0.01 0.00 -0.32 0.74 -0.69 0.00 0.00 178.15 177.89 1k6z h THR 2009N -1.23 0.13 -0.40 -0.27 2.02 -1.30 0.35 112.91 112.21 1k6z h THR 2009Ca -0.12 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 66.99 1k6z h THR 2009Cb 0.96 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 1k6z h THR 2009CO 0.17 0.00 -0.06 -0.61 0.37 0.00 0.00 175.52 175.38 1k6z h GLN 2010N -0.08 0.68 0.19 6.66 4.15 -1.35 -1.17 115.11 124.19 1k6z h GLN 2010Ca 0.30 -0.19 0.01 0.00 0.77 0.00 0.00 58.65 59.54 1k6z h GLN 2010Cb 0.57 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.17 1k6z h GLN 2010CO -0.80 0.74 -0.25 1.25 -1.93 0.00 0.00 178.83 177.84 1k6z h LEU 2011N 0.63 -0.70 -1.23 -2.39 5.85 0.03 -1.53 115.31 115.99 1k6z h LEU 2011Ca 0.12 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.95 1k6z h LEU 2011Cb 0.49 0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.72 1k6z h LEU 2011CO 0.03 -0.36 0.54 -0.26 -0.34 0.00 0.00 178.44 178.05 1k6z h PHE 2012N -0.50 0.97 -0.09 1.25 -1.00 -0.11 0.85 116.94 118.31 1k6z h PHE 2012Ca 0.01 0.02 -0.06 0.00 2.81 0.00 0.00 57.97 60.75 1k6z h PHE 2012Cb 0.49 -0.32 -0.01 0.00 3.61 0.00 0.00 35.95 39.72 1k6z h PHE 2012CO -0.20 0.55 -0.23 1.96 -1.61 0.00 0.00 178.31 178.78 1k6z h GLN 2013N 0.99 0.15 0.00 1.51 4.20 -1.01 0.19 115.11 121.14 1k6z h GLN 2013Ca 0.33 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.00 1k6z h GLN 2013Cb 0.07 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1k6z h GLN 2013CO -0.10 0.38 0.00 1.96 -0.67 0.00 0.00 178.83 180.40 1k6z h GLN 2014N 0.14 0.00 -0.01 1.46 4.20 0.17 -2.42 115.11 118.65 1k6z h GLN 2014Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1k6z h GLN 2014Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1k6z h GLN 2014CO 0.03 0.00 -0.35 1.28 -0.67 0.00 0.00 178.83 179.12 1k6z n LEU 2015N -2.49 1.11 -1.76 1.46 4.77 0.17 -4.93 117.00 115.33 1k6z n LEU 2015Ca 0.05 -0.31 -0.15 0.00 -0.03 0.00 0.00 56.01 55.56 1k6z n LEU 2015Cb 0.43 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.40 1k6z n LEU 2015CO 0.30 0.21 -0.19 -1.54 -1.33 0.00 0.00 177.39 174.85 1k6z n SER 2016N -0.70 -4.60 -4.73 -1.43 3.41 -0.40 -4.87 113.62 100.32 1k6z n SER 2016Ca 0.11 -0.02 -0.35 0.00 -0.26 0.00 0.00 58.87 58.34 1k6z n SER 2016Cb 0.36 -3.72 -0.08 0.00 -0.26 0.00 0.00 64.21 60.51 1k6z n SER 2016CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1k6z s LEU 2017N -4.40 4.01 -0.00 1.04 1.43 0.53 -5.02 118.68 116.26 1k6z s LEU 2017Ca 0.01 0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 53.03 1k6z s LEU 2017Cb -0.00 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 1k6z s LEU 2017CO 0.01 0.27 1.37 -0.94 0.23 0.00 0.00 176.35 177.30 1k6z s SER 2018N -0.20 6.88 0.05 2.29 1.04 -1.26 -4.22 113.70 118.28 1k6z s SER 2018Ca 0.09 2.08 -0.30 0.00 0.48 0.00 0.00 55.95 58.30 1k6z s SER 2018Cb -0.12 -2.56 -0.09 0.00 0.10 0.00 0.00 66.02 63.35 1k6z s SER 2018CO 0.01 -0.70 1.93 -0.63 0.98 0.00 0.00 173.24 174.84 1k6z s ILE 2019N 2.31 2.92 0.75 -1.02 -1.09 -1.26 -5.00 121.20 118.81 1k6z s ILE 2019Ca 0.63 0.04 -0.11 0.00 -2.23 0.00 0.00 60.65 58.98 1k6z s ILE 2019Cb -0.31 -3.03 0.05 0.00 -1.58 0.00 0.00 42.46 37.59 1k6z s ILE 2019CO 0.26 -0.00 1.09 -2.16 -1.23 0.00 0.00 174.94 172.90 1k6z s PRO 2020N 4.09 2.38 0.42 2.79 0.04 -1.26 -4.88 135.00 138.58 1k6z s PRO 2020Ca 0.87 1.16 0.12 0.00 0.04 0.00 0.00 61.00 63.18 1k6z s PRO 2020Cb -0.43 -1.91 0.90 0.00 0.04 0.00 0.00 34.50 33.09 1k6z s PRO 2020CO 0.40 -1.55 1.96 -0.44 0.04 0.00 0.00 177.00 177.41 1k6z h ASP 2021N -0.99 0.12 -3.61 6.66 3.32 -2.06 -3.39 116.42 116.47 1k6z h ASP 2021Ca -0.44 -0.02 -0.68 0.00 0.02 0.00 0.00 57.03 55.91 1k6z h ASP 2021Cb 1.23 -0.03 -0.27 0.00 0.22 0.00 0.00 39.33 40.48 1k6z h ASP 2021CO 0.52 0.28 -0.63 -0.89 -1.72 0.00 0.00 179.24 176.80 1k6z s THR 2022N -4.71 3.84 -1.06 0.35 2.01 -1.26 -5.05 115.64 109.77 1k6z s THR 2022Ca -0.05 -0.80 -0.17 0.00 0.31 0.00 0.00 61.69 60.99 1k6z s THR 2022Cb 0.16 -3.01 0.14 0.00 0.01 0.00 0.00 72.50 69.79 1k6z s THR 2022CO 0.71 0.05 1.28 -0.63 -0.69 0.00 0.00 174.62 175.34 1k6z s ILE 2023N 1.47 4.81 1.11 1.82 -1.09 -1.26 -5.03 121.20 123.02 1k6z s ILE 2023Ca 0.02 -2.00 -0.13 0.00 -2.23 0.00 0.00 60.65 56.31 1k6z s ILE 2023Cb -0.18 -4.86 0.23 0.00 -1.58 0.00 0.00 42.46 36.08 1k6z s ILE 2023CO 0.02 -1.59 0.91 -1.84 -1.23 0.00 0.00 174.94 171.21 1k6z n GLU 2024N 6.32 -1.88 -0.07 2.79 0.28 -1.26 -4.94 120.64 121.88 1k6z n GLU 2024Ca 0.30 -0.51 -0.08 0.00 -0.16 0.00 0.00 57.16 56.71 1k6z n GLU 2024Cb 0.46 -2.15 0.08 0.00 1.43 0.00 0.00 31.44 31.26 1k6z n GLU 2024CO 0.00 0.00 0.00 -1.35 -0.16 0.00 0.00 177.13 175.62 1k6z h PRO 2025N -2.42 0.75 -4.92 3.44 0.11 -1.95 -3.40 132.00 123.61 1k6z h PRO 2025Ca -0.56 -0.33 -0.67 0.00 0.11 0.00 0.00 66.00 64.54 1k6z h PRO 2025Cb 1.32 -0.02 -0.35 0.00 0.11 0.00 0.00 31.00 32.06 1k6z h PRO 2025CO 0.46 0.95 -0.80 0.08 -0.21 0.00 0.00 178.00 178.48 1k6z s VAL 2026N -4.49 2.36 -0.15 3.15 1.01 -1.26 -4.42 120.40 116.59 1k6z s VAL 2026Ca -0.09 -1.31 -0.15 0.00 0.00 0.00 0.00 61.98 60.43 1k6z s VAL 2026Cb 0.13 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 1k6z s VAL 2026CO 0.84 0.15 0.33 -0.63 0.00 0.00 0.00 175.10 175.79 1k6z s ILE 2027N 1.21 5.28 -0.15 2.22 -1.09 0.10 -4.88 121.20 123.89 1k6z s ILE 2027Ca -0.03 0.63 -0.14 0.00 -2.23 0.00 0.00 60.65 58.88 1k6z s ILE 2027Cb -0.18 -3.67 -0.05 0.00 -1.58 0.00 0.00 42.46 36.99 1k6z s ILE 2027CO -0.07 0.37 0.30 -0.83 -1.23 0.00 0.00 174.94 173.48 1k6z s GLY 2028N 0.53 2.22 -0.06 6.18 0.00 -1.26 -0.37 107.32 114.57 1k6z s GLY 2028Ca 0.18 -0.45 0.01 0.00 0.00 0.00 0.00 44.72 44.46 1k6z s GLY 2028CO 0.05 0.40 -0.05 0.14 0.00 0.00 0.00 173.10 173.64 1k6z s VAL 2029N 0.37 0.64 -0.27 1.40 1.01 -0.11 -0.26 120.40 123.18 1k6z s VAL 2029Ca 0.17 -0.15 -0.11 0.00 0.00 0.00 0.00 61.98 61.88 1k6z s VAL 2029Cb -0.13 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 1k6z s VAL 2029CO 0.04 0.26 0.21 -0.75 0.00 0.00 0.00 175.10 174.86 1k6z s LYS 2030N 1.07 3.99 -0.38 2.72 2.20 -0.83 0.07 119.74 128.59 1k6z s LYS 2030Ca -0.08 -0.26 -0.10 0.00 -0.36 0.00 0.00 55.97 55.17 1k6z s LYS 2030Cb -0.14 -3.63 0.04 0.00 -1.51 0.00 0.00 37.83 32.59 1k6z s LYS 2030CO -0.01 -0.13 0.20 0.08 -0.36 0.00 0.00 175.35 175.13 1k6z s VAL 2031N 1.62 4.32 0.00 4.02 1.01 0.14 -1.40 120.40 130.10 1k6z s VAL 2031Ca 0.08 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1k6z s VAL 2031Cb -0.15 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1k6z s VAL 2031CO 0.09 -0.29 0.00 0.61 0.00 0.00 0.00 175.10 175.51 1k6z n GLY 2032N 4.94 3.61 0.12 4.51 0.00 -0.55 -0.16 105.19 117.66 1k6z n GLY 2032Ca -0.12 -0.08 0.15 0.00 0.00 0.00 0.00 46.02 45.98 1k6z n GLY 2032CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1k6z n GLU 2033N 13.91 1.14 -3.65 1.61 0.28 -1.26 -4.84 120.64 127.84 1k6z n GLU 2033Ca 0.00 -0.24 -0.39 0.00 -0.16 0.00 0.00 57.16 56.37 1k6z n GLU 2033Cb 0.00 -1.50 -0.12 0.00 1.43 0.00 0.00 31.44 31.26 1k6z n GLU 2033CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1k6z s PHE 2034N -2.02 3.20 -0.31 -1.84 0.40 0.77 -5.05 117.98 113.13 1k6z s PHE 2034Ca 0.45 -0.80 -0.25 0.00 -0.60 0.00 0.00 56.93 55.73 1k6z s PHE 2034Cb 0.22 -2.37 0.01 0.00 0.51 0.00 0.00 43.02 41.38 1k6z s PHE 2034CO 0.37 -0.55 0.87 0.00 0.70 0.00 0.00 175.22 176.61 1k6z s ALA 2035N 1.57 3.52 0.16 5.36 0.00 -1.26 0.24 121.76 131.35 1k6z s ALA 2035Ca 0.03 -0.32 0.09 0.00 0.00 0.00 0.00 51.96 51.75 1k6z s ALA 2035Cb -0.18 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 1k6z s ALA 2035CO 0.06 -1.30 -0.10 0.00 0.00 0.00 0.00 175.76 174.42 1k6z s HIS 2037N -1.59 1.86 -0.08 0.00 3.76 0.31 -0.93 115.29 118.62 1k6z s HIS 2037Ca 0.24 -0.44 0.03 0.00 -0.15 0.00 0.00 55.06 54.74 1k6z s HIS 2037Cb -0.09 -1.22 0.01 0.00 1.11 0.00 0.00 32.58 32.39 1k6z s HIS 2037CO 0.15 -0.10 -0.17 0.42 -0.85 0.00 0.00 174.74 174.19 1k6z s ILE 2038N -0.27 1.51 0.26 0.60 1.01 0.50 -0.73 121.20 124.08 1k6z s ILE 2038Ca 0.03 -0.69 -0.20 0.00 0.00 0.00 0.00 60.65 59.79 1k6z s ILE 2038Cb -0.10 -1.34 0.02 0.00 0.01 0.00 0.00 42.46 41.05 1k6z s ILE 2038CO 0.01 0.44 0.66 0.28 0.00 0.00 0.00 174.94 176.33 1k6z s THR 2039N 0.56 0.00 -0.29 2.92 -1.32 -0.76 0.03 115.64 116.79 1k6z s THR 2039Ca -0.16 -0.98 -0.11 0.00 -1.21 0.00 0.00 61.69 59.23 1k6z s THR 2039Cb -0.17 -1.94 -0.04 0.00 -1.51 0.00 0.00 72.50 68.85 1k6z s THR 2039CO 0.05 -0.01 0.19 -0.70 -2.21 0.00 0.00 174.62 171.94 1k6z s GLU 2040N -3.92 3.83 -0.30 7.08 2.12 -1.26 -1.11 118.70 125.14 1k6z s GLU 2040Ca 0.12 -0.40 -0.12 0.00 0.36 0.00 0.00 54.97 54.93 1k6z s GLU 2040Cb -0.05 -3.66 0.17 0.00 0.26 0.00 0.00 34.13 30.86 1k6z s GLU 2040CO 0.05 -0.23 0.94 -1.58 -0.54 0.00 0.00 175.26 173.90 1k6z s HIS 2041N 1.74 -0.80 0.07 5.30 2.46 -0.39 -4.63 115.29 119.04 1k6z s HIS 2041Ca 0.07 1.05 -0.01 0.00 0.47 0.00 0.00 55.06 56.64 1k6z s HIS 2041Cb -0.16 0.36 0.02 0.00 -0.13 0.00 0.00 32.58 32.66 1k6z s HIS 2041CO 0.10 -0.42 0.06 -0.35 -2.47 0.00 0.00 174.74 171.66 1k6z n PRO 2042N 5.27 -0.96 -1.68 2.88 -0.04 -1.26 -4.46 135.00 134.75 1k6z n PRO 2042Ca -0.07 -0.10 -0.42 0.00 -0.04 0.00 0.00 63.50 62.87 1k6z n PRO 2042Cb 0.53 -0.09 -0.00 0.00 -0.04 0.00 0.00 33.50 33.89 1k6z n PRO 2042CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1k6z n VAL 2043N -2.55 2.12 -0.71 0.52 0.31 -1.26 -1.40 118.33 115.36 1k6z n VAL 2043Ca 0.01 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.84 1k6z n VAL 2043Cb 0.03 -1.47 0.00 0.00 -0.91 0.00 0.00 33.84 31.50 1k6z n VAL 2043CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1k6z n GLY 2044N 0.86 1.31 3.19 2.92 0.00 -1.26 -5.02 105.19 107.19 1k6z n GLY 2044Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 1k6z n GLY 2044CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k6z s GLN 2045N -0.11 2.12 -0.36 1.61 -1.52 -0.49 -0.55 119.66 120.37 1k6z s GLN 2045Ca 0.00 -0.73 -0.16 0.00 -1.95 0.00 0.00 55.36 52.52 1k6z s GLN 2045Cb 0.00 -1.81 -0.01 0.00 -0.22 0.00 0.00 33.01 30.97 1k6z s GLN 2045CO 0.00 0.29 0.40 0.42 -0.25 0.00 0.00 175.29 176.15 1k6z s ILE 2046N -0.02 5.13 0.44 1.08 -1.09 0.52 -1.26 121.20 126.01 1k6z s ILE 2046Ca -0.04 0.03 0.06 0.00 -2.23 0.00 0.00 60.65 58.47 1k6z s ILE 2046Cb -0.13 -3.88 0.08 0.00 -1.58 0.00 0.00 42.46 36.95 1k6z s ILE 2046CO 0.03 -0.16 0.61 -0.11 -1.23 0.00 0.00 174.94 174.07 1k6z n LEU 2047N 5.48 0.00 0.00 2.97 7.94 -0.26 -2.12 117.00 131.00 1k6z n LEU 2047Ca -0.08 -1.79 0.00 0.00 -1.11 0.00 0.00 56.01 53.03 1k6z n LEU 2047Cb 0.49 -0.34 0.00 0.00 0.53 0.00 0.00 43.42 44.10 1k6z n LEU 2047CO 0.42 -0.69 0.00 2.22 -1.11 0.00 0.00 177.39 178.23 1k6z n PHE 2049N -2.01 0.00 -3.85 1.96 -1.74 0.09 -1.82 117.46 110.09 1k6z n PHE 2049Ca 0.12 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.92 1k6z n PHE 2049Cb 0.44 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.37 1k6z n PHE 2049CO 0.00 0.00 0.00 -0.08 -0.56 0.00 0.00 176.76 176.12 1k6z s THR 2050N -2.00 0.12 -0.52 1.97 -1.32 -0.02 -0.53 115.64 113.34 1k6z s THR 2050Ca 0.00 -1.14 -0.15 0.00 -1.21 0.00 0.00 61.69 59.18 1k6z s THR 2050Cb 0.00 -1.42 0.12 0.00 -1.51 0.00 0.00 72.50 69.69 1k6z s THR 2050CO 0.00 -0.53 0.47 -0.76 -2.21 0.00 0.00 174.62 171.58 1k6z s LEU 2051N -2.88 6.05 0.60 9.08 1.43 -1.26 -1.41 118.68 130.30 1k6z s LEU 2051Ca 0.07 -1.71 -0.12 0.00 -1.03 0.00 0.00 54.13 51.34 1k6z s LEU 2051Cb 0.04 -2.19 -0.05 0.00 0.03 0.00 0.00 46.19 44.02 1k6z s LEU 2051CO -0.09 -0.81 1.02 -2.16 0.23 0.00 0.00 176.35 174.54 1k6z s PRO 2052N 1.59 3.66 -0.35 1.29 0.04 -1.26 -4.97 135.00 135.00 1k6z s PRO 2052Ca 0.03 0.79 -0.10 0.00 0.04 0.00 0.00 61.00 61.77 1k6z s PRO 2052Cb -0.29 -2.09 0.02 0.00 0.04 0.00 0.00 34.50 32.19 1k6z s PRO 2052CO 0.03 -0.52 0.17 -1.54 0.04 0.00 0.00 177.00 175.19 1k6z s SER 2053N -3.96 5.58 0.63 6.66 1.04 -1.26 -4.77 113.70 117.62 1k6z s SER 2053Ca 0.56 -0.94 -0.11 0.00 0.48 0.00 0.00 55.95 55.94 1k6z s SER 2053Cb -0.11 -1.98 -0.03 0.00 0.10 0.00 0.00 66.02 64.01 1k6z s SER 2053CO 0.50 -0.33 1.03 -0.76 0.98 0.00 0.00 173.24 174.65 1k6z s LEU 2054N 1.53 3.18 -0.22 2.42 1.43 -1.26 -4.96 118.68 120.80 1k6z s LEU 2054Ca 0.02 1.32 -0.20 0.00 -1.03 0.00 0.00 54.13 54.24 1k6z s LEU 2054Cb -0.19 -4.31 -0.03 0.00 0.03 0.00 0.00 46.19 41.69 1k6z s LEU 2054CO 0.05 -0.96 0.59 -0.62 0.23 0.00 0.00 176.35 175.65 1k6z s ASP 2055N -4.22 6.60 0.38 2.29 -1.08 -1.26 -4.94 116.67 114.44 1k6z s ASP 2055Ca 0.55 0.73 0.21 0.00 -0.52 0.00 0.00 52.55 53.52 1k6z s ASP 2055Cb -0.11 -2.33 1.26 0.00 -1.46 0.00 0.00 42.92 40.28 1k6z s ASP 2055CO 0.53 -0.28 1.63 -1.13 0.52 0.00 0.00 175.17 176.44 1k6z h ASN 2056N 7.64 0.39 1.47 -0.34 -0.73 -1.98 -1.40 115.58 120.63 1k6z h ASN 2056Ca -0.30 0.20 0.00 0.00 1.87 0.00 0.00 56.30 58.06 1k6z h ASN 2056Cb 1.14 0.17 0.00 0.00 0.27 0.00 0.00 38.32 39.90 1k6z h ASN 2056CO 0.76 -0.23 -0.28 -0.55 -0.37 0.00 0.00 177.43 176.76 1k6z h ASN 2057N 0.17 0.00 -2.46 1.15 7.08 -2.03 -3.44 115.58 116.04 1k6z h ASN 2057Ca 0.79 -0.04 -0.55 0.00 -3.08 0.00 0.00 56.30 53.42 1k6z h ASN 2057Cb 2.08 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 38.32 1k6z h ASN 2057CO -0.60 0.02 1.20 -1.81 -2.08 0.00 0.00 177.43 174.16 1k6z s ASP 2058N -5.20 6.42 0.59 6.14 1.01 -0.53 -5.00 116.67 120.10 1k6z s ASP 2058Ca 0.07 2.32 0.04 0.00 0.71 0.00 0.00 52.55 55.69 1k6z s ASP 2058Cb 0.09 -2.53 0.10 0.00 1.01 0.00 0.00 42.92 41.60 1k6z s ASP 2058CO 0.68 -1.12 0.77 -0.62 0.21 0.00 0.00 175.17 175.08 1k6z n GLU 2059N 7.53 0.32 -0.21 8.23 -0.58 -1.26 -4.80 120.64 129.87 1k6z n GLU 2059Ca 0.20 -2.47 -0.07 0.00 -0.42 0.00 0.00 57.16 54.40 1k6z n GLU 2059Cb 0.43 -0.39 0.03 0.00 -0.57 0.00 0.00 31.44 30.93 1k6z n GLU 2059CO 0.00 0.00 0.00 1.57 -0.48 0.00 0.00 177.13 178.22 1k6z h LYS 2060N 0.00 0.88 -0.41 3.49 2.10 -1.99 0.12 116.57 120.76 1k6z h LYS 2060Ca -0.26 -0.15 0.06 0.00 -2.00 0.00 0.00 60.65 58.31 1k6z h LYS 2060Cb 1.05 -0.15 -0.05 0.00 -0.90 0.00 0.00 32.23 32.17 1k6z h LYS 2060CO 0.31 0.73 0.09 0.93 -2.00 0.00 0.00 179.45 179.51 1k6z h GLU 2061N 0.82 0.21 -0.59 0.07 5.08 -1.98 0.17 114.58 118.38 1k6z h GLU 2061Ca 0.20 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.58 1k6z h GLU 2061Cb 0.16 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 1k6z h GLU 2061CO -0.02 0.14 0.36 1.15 -1.00 0.00 0.00 179.01 179.64 1k6z h THR 2062N 0.22 1.07 -0.16 1.13 2.02 -1.68 0.40 112.91 115.90 1k6z h THR 2062Ca 0.20 -0.24 -0.06 0.00 0.77 0.00 0.00 66.41 67.08 1k6z h THR 2062Cb 0.24 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1k6z h THR 2062CO -0.25 0.13 -0.13 -0.07 0.37 0.00 0.00 175.52 175.56 1k6z h LEU 2063N 0.70 0.40 -1.72 2.58 3.38 -0.05 -3.11 115.31 117.49 1k6z h LEU 2063Ca 0.24 -0.46 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 1k6z h LEU 2063Cb 0.02 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1k6z h LEU 2063CO -0.10 0.77 -0.15 -0.07 0.09 0.00 0.00 178.44 178.99 1k6z h LEU 2064N 0.03 0.00 -2.19 1.67 3.38 -0.41 -2.56 115.31 115.22 1k6z h LEU 2064Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1k6z h LEU 2064Cb 0.65 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1k6z h LEU 2064CO 0.03 0.15 -0.04 0.28 0.09 0.00 0.00 178.44 178.95 1k6z h SER 2065N 0.00 0.00 0.68 -0.43 0.02 -0.84 -1.87 113.55 111.10 1k6z h SER 2065Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1k6z h SER 2065Cb 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1k6z h SER 2065CO 0.02 0.04 0.00 0.45 -1.14 0.00 0.00 176.83 176.20 1k6z h HIS 2066N 0.00 0.00 -0.16 3.45 3.86 -1.57 -3.05 115.15 117.68 1k6z h HIS 2066Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1k6z h HIS 2066Cb 0.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.55 1k6z h HIS 2066CO 0.00 0.00 0.00 0.09 0.86 0.00 0.00 177.93 178.88 1k6z n ASN 2067N -2.86 2.45 -4.77 2.45 5.03 -0.70 -4.86 115.26 112.00 1k6z n ASN 2067Ca -0.00 -1.81 -0.37 0.00 0.87 0.00 0.00 54.58 53.27 1k6z n ASN 2067Cb 0.22 -0.10 0.01 0.00 -1.02 0.00 0.00 39.78 38.89 1k6z n ASN 2067CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 1k6z s ILE 2068N -1.81 2.86 0.76 2.41 1.10 -1.16 -4.94 121.20 120.43 1k6z s ILE 2068Ca 0.34 0.62 -0.15 0.00 -0.51 0.00 0.00 60.65 60.95 1k6z s ILE 2068Cb 0.20 -3.30 0.05 0.00 0.15 0.00 0.00 42.46 39.56 1k6z s ILE 2068CO 0.30 -0.03 1.19 2.22 -2.11 0.00 0.00 174.94 176.51 1k6z n PHE 2069N -0.79 1.32 -3.73 3.50 1.16 -1.26 -5.03 117.46 112.62 1k6z n PHE 2069Ca 0.09 0.41 -0.04 0.00 -1.87 0.00 0.00 57.45 56.03 1k6z n PHE 2069Cb 0.48 -2.14 -0.01 0.00 -1.61 0.00 0.00 39.48 36.20 1k6z n PHE 2069CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 1k6z n SER 2070N -2.76 -0.39 0.19 5.98 3.41 -1.26 -5.02 113.62 113.77 1k6z n SER 2070Ca 0.14 -1.56 0.13 0.00 -0.26 0.00 0.00 58.87 57.32 1k6z n SER 2070Cb 0.50 0.73 0.37 0.00 -0.26 0.00 0.00 64.21 65.55 1k6z n SER 2070CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1k6z h GLN 2071N 0.00 0.00 -4.87 4.33 4.20 -2.04 -3.42 115.11 113.31 1k6z h GLN 2071Ca -0.08 0.00 -0.69 0.00 0.06 0.00 0.00 58.65 57.94 1k6z h GLN 2071Cb 0.35 0.00 -0.19 0.00 0.30 0.00 0.00 27.48 27.94 1k6z h GLN 2071CO 0.11 0.00 -0.19 0.34 -0.67 0.00 0.00 178.83 178.42 1k6z s ASP 2072N -5.44 6.20 0.00 1.46 2.15 -1.26 -4.93 116.67 114.85 1k6z s ASP 2072Ca 0.06 -0.69 0.22 0.00 0.43 0.00 0.00 52.55 52.58 1k6z s ASP 2072Cb 0.08 -2.23 1.25 0.00 -0.30 0.00 0.00 42.92 41.72 1k6z s ASP 2072CO 0.59 -0.60 1.71 2.30 -0.17 0.00 0.00 175.17 179.01 1k6z n ILE 2073N 5.45 0.14 1.00 4.11 -5.35 -1.26 -2.05 119.36 121.40 1k6z n ILE 2073Ca -0.07 0.03 0.12 0.00 -0.27 0.00 0.00 62.75 62.57 1k6z n ILE 2073Cb 0.47 -0.68 0.16 0.00 -1.74 0.00 0.00 39.64 37.85 1k6z n ILE 2073CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1k6z n LEU 2074N -1.12 2.86 -4.68 7.28 4.77 -1.26 -4.80 117.00 120.05 1k6z n LEU 2074Ca 0.14 -0.98 -0.45 0.00 -0.03 0.00 0.00 56.01 54.69 1k6z n LEU 2074Cb 0.12 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 1k6z n LEU 2074CO 0.14 0.49 1.41 1.17 -1.33 0.00 0.00 177.39 179.27 1k6z n LYS 2075N 1.23 2.49 -2.02 3.23 4.81 -0.87 -4.64 118.16 122.39 1k6z n LYS 2075Ca 0.15 0.91 -0.32 0.00 -0.87 0.00 0.00 58.31 58.17 1k6z n LYS 2075Cb 0.57 -2.76 0.01 0.00 0.02 0.00 0.00 35.03 32.88 1k6z n LYS 2075CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1k6z s PRO 2076N 2.55 3.34 -0.17 1.64 0.04 -1.26 -4.90 135.00 136.24 1k6z s PRO 2076Ca 0.84 1.15 -0.07 0.00 0.04 0.00 0.00 61.00 62.96 1k6z s PRO 2076Cb -0.58 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.88 1k6z s PRO 2076CO 0.41 -0.79 0.05 0.42 0.04 0.00 0.00 177.00 177.13 1k6z s ILE 2077N -2.55 4.66 -0.13 0.56 -1.09 0.36 -4.80 121.20 118.23 1k6z s ILE 2077Ca 0.62 -0.08 -0.19 0.00 -2.23 0.00 0.00 60.65 58.77 1k6z s ILE 2077Cb -0.15 -3.09 -0.04 0.00 -1.58 0.00 0.00 42.46 37.60 1k6z s ILE 2077CO 0.39 0.48 0.53 -0.22 -1.23 0.00 0.00 174.94 174.88 1k6z s LEU 2078N 0.27 4.25 0.00 2.97 2.96 -1.26 -1.08 118.68 126.79 1k6z s LEU 2078Ca 0.03 0.85 0.07 0.00 -0.22 0.00 0.00 54.13 54.86 1k6z s LEU 2078Cb -0.12 -2.77 -0.03 0.00 0.50 0.00 0.00 46.19 43.77 1k6z s LEU 2078CO 0.01 -0.06 0.28 -1.54 -1.32 0.00 0.00 176.35 173.71 1k6z n SER 2079N 3.95 -0.71 -4.01 3.68 3.41 0.16 -4.97 113.62 115.11 1k6z n SER 2079Ca -0.05 -3.05 -0.22 0.00 -0.26 0.00 0.00 58.87 55.28 1k6z n SER 2079Cb 0.51 1.64 -0.16 0.00 -0.26 0.00 0.00 64.21 65.94 1k6z n SER 2079CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1k6z s TRP 2080N -3.26 1.19 -0.48 7.33 -0.11 -1.26 -0.40 118.94 121.96 1k6z s TRP 2080Ca 0.37 -0.36 -0.17 0.00 1.22 0.00 0.00 56.10 57.16 1k6z s TRP 2080Cb 0.02 -0.87 0.06 0.00 -1.50 0.00 0.00 33.47 31.18 1k6z s TRP 2080CO 0.26 -0.18 0.50 0.34 -4.62 0.00 0.00 176.95 173.26 1k6z s ASP 2081N 0.41 6.19 0.43 5.86 2.15 0.16 -4.88 116.67 126.99 1k6z s ASP 2081Ca -0.08 -1.05 0.23 0.00 0.43 0.00 0.00 52.55 52.08 1k6z s ASP 2081Cb -0.12 -2.24 0.91 0.00 -0.30 0.00 0.00 42.92 41.18 1k6z s ASP 2081CO 0.02 -0.74 1.83 -0.33 -0.17 0.00 0.00 175.17 175.78 1k6z h GLU 2082N 8.85 0.00 0.03 4.34 4.39 -1.96 0.55 114.58 130.79 1k6z h GLU 2082Ca -0.28 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.42 1k6z h GLU 2082Cb 1.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 1k6z h GLU 2082CO 0.90 0.26 -0.01 0.28 -1.16 0.00 0.00 179.01 179.28 1k6z h VAL 2083N 0.00 1.37 0.00 3.13 2.07 -1.96 -3.23 116.25 117.64 1k6z h VAL 2083Ca -0.00 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 66.20 1k6z h VAL 2083Cb 0.74 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 1k6z h VAL 2083CO 0.03 0.33 -0.18 0.61 0.02 0.00 0.00 177.57 178.39 1k6z n GLY 2084N 0.47 -1.45 2.34 2.17 0.00 -1.19 -4.96 105.19 102.56 1k6z n GLY 2084Ca -0.09 -0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 1k6z n GLY 2084CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k6z n GLY 2085N 1.46 0.07 3.56 -0.02 0.00 0.19 -5.05 105.19 105.40 1k6z n GLY 2085Ca 0.06 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 1k6z n GLY 2085CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1k6z s HIS 2086N -3.18 -0.42 0.66 1.61 -3.43 -0.82 -4.98 115.29 104.73 1k6z s HIS 2086Ca 0.08 0.14 -0.14 0.00 -0.80 0.00 0.00 55.06 54.34 1k6z s HIS 2086Cb -0.04 0.61 -0.00 0.00 -1.43 0.00 0.00 32.58 31.72 1k6z s HIS 2086CO 0.38 -0.95 1.08 -1.25 -2.00 0.00 0.00 174.74 172.00 1k6z s PRO 2087N -3.76 2.89 -0.05 -0.38 0.04 -1.26 0.40 135.00 132.87 1k6z s PRO 2087Ca 0.04 1.24 -0.02 0.00 0.04 0.00 0.00 61.00 62.30 1k6z s PRO 2087Cb -0.02 -1.97 0.04 0.00 0.04 0.00 0.00 34.50 32.58 1k6z s PRO 2087CO -0.07 -1.16 0.09 0.08 0.04 0.00 0.00 177.00 175.99 1k6z s VAL 2088N -2.57 -0.10 -0.20 -0.36 1.01 0.47 -4.34 120.40 114.31 1k6z s VAL 2088Ca 0.64 0.27 -0.06 0.00 0.00 0.00 0.00 61.98 62.83 1k6z s VAL 2088Cb -0.18 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 1k6z s VAL 2088CO 0.44 0.11 0.02 -0.22 0.00 0.00 0.00 175.10 175.46 1k6z s LEU 2089N 1.53 3.42 0.06 3.92 2.96 -0.50 0.35 118.68 130.42 1k6z s LEU 2089Ca -0.04 -0.13 -0.09 0.00 -0.22 0.00 0.00 54.13 53.65 1k6z s LEU 2089Cb -0.12 -1.87 -0.00 0.00 0.50 0.00 0.00 46.19 44.70 1k6z s LEU 2089CO -0.04 0.08 0.18 -1.66 -1.32 0.00 0.00 176.35 173.59 1k6z s TRP 2090N 0.89 0.12 0.30 5.38 1.48 -0.24 -0.84 118.94 126.04 1k6z s TRP 2090Ca 0.02 -0.46 0.05 0.00 -1.06 0.00 0.00 56.10 54.65 1k6z s TRP 2090Cb -0.14 -0.06 -0.02 0.00 -1.16 0.00 0.00 33.47 32.09 1k6z s TRP 2090CO 0.02 -0.48 0.30 0.27 -4.06 0.00 0.00 176.95 173.00 1k6z n ASN 2091N 0.32 -0.78 -3.63 -2.66 0.23 -1.26 -0.49 115.26 106.99 1k6z n ASN 2091Ca -0.17 -2.89 -0.10 0.00 -0.53 0.00 0.00 54.58 50.90 1k6z n ASN 2091Cb 0.61 1.69 -0.07 0.00 -2.08 0.00 0.00 39.78 39.93 1k6z n ASN 2091CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 1k6z s ARG 2092N -3.08 0.54 0.04 -3.83 3.52 -1.26 -4.42 118.95 110.46 1k6z s ARG 2092Ca 0.33 0.53 -0.18 0.00 -0.13 0.00 0.00 55.73 56.28 1k6z s ARG 2092Cb 0.01 0.26 0.04 0.00 -1.56 0.00 0.00 34.95 33.70 1k6z s ARG 2092CO 0.24 -0.09 0.41 1.14 -0.81 0.00 0.00 175.30 176.19 1k6z s GLN 2093N -0.02 0.92 0.25 5.12 -2.07 -0.90 -4.89 119.66 118.07 1k6z s GLN 2093Ca 0.02 -0.37 -0.30 0.00 -1.82 0.00 0.00 55.36 52.89 1k6z s GLN 2093Cb -0.04 0.41 -0.11 0.00 -1.09 0.00 0.00 33.01 32.18 1k6z s GLN 2093CO -0.04 -0.31 1.52 -2.14 -1.32 0.00 0.00 175.29 172.99 1k6z s PRO 2094N -2.49 4.21 0.31 9.60 0.02 -1.26 -0.35 135.00 145.03 1k6z s PRO 2094Ca -0.05 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.38 1k6z s PRO 2094Cb -0.01 -3.09 0.52 0.00 0.02 0.00 0.00 34.50 31.94 1k6z s PRO 2094CO -0.02 -0.53 1.94 1.25 -0.33 0.00 0.00 177.00 179.31 1k6z h LEU 2095N 5.34 0.89 0.00 -5.54 5.85 -1.15 -2.92 115.31 117.79 1k6z h LEU 2095Ca -0.46 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1k6z h LEU 2095Cb 1.22 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.04 1k6z h LEU 2095CO 0.81 0.60 0.00 -0.46 -0.34 0.00 0.00 178.44 179.06 1k6z n ASN 2096N -4.46 0.00 0.00 1.25 6.94 -1.26 -3.02 115.26 114.71 1k6z n ASN 2096Ca 0.12 -0.05 0.00 0.00 -0.02 0.00 0.00 54.58 54.63 1k6z n ASN 2096Cb 0.14 -0.22 0.00 0.00 -2.36 0.00 0.00 39.78 37.34 1k6z n ASN 2096CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1k6z n SER 2097N -1.22 1.27 -4.75 0.53 7.64 -1.10 -5.06 113.62 110.92 1k6z n SER 2097Ca 0.08 -1.42 -0.39 0.00 1.01 0.00 0.00 58.87 58.16 1k6z n SER 2097Cb 0.10 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.34 1k6z n SER 2097CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1k6z s LEU 2098N -0.42 3.91 0.52 -3.43 1.43 -1.17 -5.05 118.68 114.49 1k6z s LEU 2098Ca 0.00 2.81 0.09 0.00 -1.03 0.00 0.00 54.13 55.99 1k6z s LEU 2098Cb 0.00 -4.19 0.05 0.00 0.03 0.00 0.00 46.19 42.08 1k6z s LEU 2098CO 0.00 -1.48 0.66 1.51 0.23 0.00 0.00 176.35 177.26 1k6z s ASP 2099N -0.84 5.16 0.27 2.29 -4.77 -1.26 -4.99 116.67 112.53 1k6z s ASP 2099Ca 0.69 -0.80 0.21 0.00 -3.30 0.00 0.00 52.55 49.35 1k6z s ASP 2099Cb -0.41 0.03 1.02 0.00 -1.09 0.00 0.00 42.92 42.46 1k6z s ASP 2099CO 0.50 -1.12 1.65 0.59 0.70 0.00 0.00 175.17 177.49 1k6z n ASN 2100N -2.03 0.57 -0.29 2.11 3.02 -1.26 -2.48 115.26 114.91 1k6z n ASN 2100Ca 0.11 0.70 0.04 0.00 -0.03 0.00 0.00 54.58 55.39 1k6z n ASN 2100Cb 0.61 -0.80 0.02 0.00 -0.61 0.00 0.00 39.78 39.01 1k6z n ASN 2100CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1k6z n ASN 2101N -2.19 1.51 0.08 6.41 5.03 -1.26 -4.78 115.26 120.06 1k6z n ASN 2101Ca 0.00 -1.26 -0.12 0.00 0.87 0.00 0.00 54.58 54.08 1k6z n ASN 2101Cb 0.13 0.12 -0.06 0.00 -1.02 0.00 0.00 39.78 38.95 1k6z n ASN 2101CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 1k6z h SER 2102N 1.40 -0.22 -0.48 6.41 0.02 -1.87 -1.96 113.55 116.86 1k6z h SER 2102Ca 0.00 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 1k6z h SER 2102Cb 0.32 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 1k6z h SER 2102CO 0.00 -0.13 0.19 -0.07 -1.14 0.00 0.00 176.83 175.68 1k6z h LEU 2103N -0.17 0.67 -1.28 5.07 3.38 -1.86 0.03 115.31 121.14 1k6z h LEU 2103Ca 0.01 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.81 1k6z h LEU 2103Cb 0.18 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1k6z h LEU 2103CO -0.04 0.66 0.49 0.22 0.09 0.00 0.00 178.44 179.86 1k6z h TYR 2104N 0.64 0.92 -0.27 1.13 5.03 -1.86 -0.16 116.97 122.40 1k6z h TYR 2104Ca 0.16 0.02 -0.18 0.00 2.58 0.00 0.00 58.73 61.31 1k6z h TYR 2104Cb 0.21 -0.31 -0.00 0.00 1.55 0.00 0.00 36.73 38.18 1k6z h TYR 2104CO 0.01 0.58 -0.55 1.15 -1.32 0.00 0.00 178.16 178.02 1k6z h THR 2105N 0.99 1.28 -0.35 1.81 2.02 -1.05 -1.58 112.91 116.03 1k6z h THR 2105Ca 0.27 -1.75 0.00 0.00 0.77 0.00 0.00 66.41 65.70 1k6z h THR 2105Cb -0.10 1.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 1k6z h THR 2105CO -0.06 0.57 0.23 -0.61 0.37 0.00 0.00 175.52 176.01 1k6z h GLN 2106N 0.62 0.47 -0.41 6.66 4.15 0.12 -2.80 115.11 123.93 1k6z h GLN 2106Ca 0.01 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.41 1k6z h GLN 2106Cb 1.15 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.72 1k6z h GLN 2106CO 0.12 0.33 0.26 1.25 -1.93 0.00 0.00 178.83 178.86 1k6z h LEU 2107N 0.47 0.44 -1.53 -2.39 6.46 -0.97 0.39 115.31 118.18 1k6z h LEU 2107Ca 0.13 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 1k6z h LEU 2107Cb -0.03 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 39.79 1k6z h LEU 2107CO -0.03 0.32 0.00 1.21 -0.62 0.00 0.00 178.44 179.33 1k6z n GLU 2108N -4.82 0.27 0.00 1.25 4.07 -0.60 -1.37 120.64 119.44 1k6z n GLU 2108Ca 0.01 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.11 1k6z n GLU 2108Cb 0.03 -1.26 0.00 0.00 -0.06 0.00 0.00 31.44 30.16 1k6z n GLU 2108CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1k6z n LEU 2110N 0.63 0.00 -0.02 4.31 7.94 0.14 -0.89 117.00 129.10 1k6z n LEU 2110Ca 0.00 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.77 1k6z n LEU 2110Cb 0.10 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 43.97 1k6z n LEU 2110CO 0.00 0.00 0.69 0.58 -1.11 0.00 0.00 177.39 177.55 1k6z h VAL 2111N 0.00 1.30 -0.97 1.96 2.07 -1.48 -1.42 116.25 117.72 1k6z h VAL 2111Ca 0.00 -0.96 0.17 0.00 0.82 0.00 0.00 66.70 66.73 1k6z h VAL 2111Cb 0.00 1.82 -0.09 0.00 -1.52 0.00 0.00 31.29 31.50 1k6z h VAL 2111CO 0.00 0.26 0.61 1.56 0.02 0.00 0.00 177.57 180.02 1k6z h GLN 2112N -0.23 0.72 -0.84 1.57 4.20 -1.29 0.48 115.11 119.73 1k6z h GLN 2112Ca 0.02 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1k6z h GLN 2112Cb 0.43 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.00 1k6z h GLN 2112CO 0.01 0.48 0.54 0.78 -0.67 0.00 0.00 178.83 179.96 1k6z h GLY 2113N 0.75 1.19 1.18 3.46 0.00 -1.69 -1.06 103.07 106.90 1k6z h GLY 2113Ca 0.52 -0.46 -0.16 0.00 0.00 0.00 0.00 47.33 47.22 1k6z h GLY 2113CO -0.28 0.45 -0.41 0.00 0.00 0.00 0.00 176.54 176.30 1k6z h ALA 2114N 1.45 0.59 -1.00 3.60 0.00 0.92 -2.91 119.26 121.91 1k6z h ALA 2114Ca 0.31 -0.46 0.10 0.00 0.00 0.00 0.00 54.91 54.85 1k6z h ALA 2114Cb -0.10 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.50 1k6z h ALA 2114CO -0.06 0.68 0.64 0.93 0.00 0.00 0.00 179.25 181.43 1k6z h GLU 2115N 0.72 1.03 0.00 0.00 5.08 -0.29 -1.34 114.58 119.78 1k6z h GLU 2115Ca 0.05 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1k6z h GLU 2115Cb 1.00 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 1k6z h GLU 2115CO 0.10 0.68 -0.11 0.00 -1.00 0.00 0.00 179.01 178.68 1k6z h ARG 2116N 1.07 0.00 0.00 2.33 3.08 -1.01 -3.51 114.38 116.33 1k6z h ARG 2116Ca 0.47 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.42 1k6z h ARG 2116Cb 0.36 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 1k6z h ARG 2116CO -0.23 0.11 -1.24 -0.07 -1.07 0.00 0.00 179.97 177.47 1k6z h LEU 2117N 0.00 0.00 -7.00 3.04 3.38 -1.20 -3.52 115.31 110.01 1k6z h LEU 2117Ca -0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1k6z h LEU 2117Cb 0.31 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 40.80 1k6z h LEU 2117CO 0.01 0.36 0.47 -0.13 0.09 0.00 0.00 178.44 179.25 1k6z s ARG 2127N -3.09 0.49 -0.05 1.13 1.81 -1.26 -4.12 118.95 113.86 1k6z s ARG 2127Ca -0.02 0.58 -0.14 0.00 -1.72 0.00 0.00 55.73 54.43 1k6z s ARG 2127Cb 0.09 0.24 -0.05 0.00 -0.45 0.00 0.00 34.95 34.78 1k6z s ARG 2127CO 0.80 -0.06 0.35 -1.12 -0.68 0.00 0.00 175.30 174.60 1k6z s SER 2128N 0.21 6.68 0.05 0.23 0.01 -1.26 -5.00 113.70 114.61 1k6z s SER 2128Ca 0.03 0.80 0.07 0.00 1.31 0.00 0.00 55.95 58.17 1k6z s SER 2128Cb -0.05 -2.21 -0.03 0.00 0.21 0.00 0.00 66.02 63.94 1k6z s SER 2128CO -0.06 0.28 -0.20 -0.36 0.41 0.00 0.00 173.24 173.30 1k6z s PHE 2129N -0.69 1.72 -0.01 2.43 0.08 -1.26 -1.48 117.98 118.77 1k6z s PHE 2129Ca 0.21 -0.38 0.03 0.00 0.12 0.00 0.00 56.93 56.91 1k6z s PHE 2129Cb -0.15 -1.01 -0.00 0.00 -0.57 0.00 0.00 43.02 41.28 1k6z s PHE 2129CO 0.10 0.09 -0.09 0.45 -0.10 0.00 0.00 175.22 175.68 1k6z s SER 2130N -1.25 1.07 -0.66 1.36 0.15 -0.50 -4.99 113.70 108.89 1k6z s SER 2130Ca 0.06 -0.16 -0.27 0.00 0.70 0.00 0.00 55.95 56.28 1k6z s SER 2130Cb -0.09 -0.15 -0.01 0.00 -1.71 0.00 0.00 66.02 64.06 1k6z s SER 2130CO 0.02 0.10 1.71 -2.28 1.20 0.00 0.00 173.24 173.99 1k6z s HIS 2131N -0.12 1.83 -2.52 3.44 2.46 -1.26 -1.96 115.29 117.15 1k6z s HIS 2131Ca 0.02 0.56 0.20 0.00 0.47 0.00 0.00 55.06 56.31 1k6z s HIS 2131Cb -0.04 -4.23 0.16 0.00 -0.13 0.00 0.00 32.58 28.33 1k6z s HIS 2131CO -0.00 -2.23 1.14 1.58 -2.47 0.00 0.00 174.74 172.75