#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d1z h ALA 2005N 0.00 1.43 -0.13 3.52 0.00 -1.97 -1.87 119.26 120.24 1d1z h ALA 2005Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1d1z h ALA 2005Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1d1z h ALA 2005CO 0.00 0.27 0.00 1.33 0.00 0.00 0.00 179.25 180.85 1d1z n VAL 2006N -3.96 0.16 -2.84 0.00 0.24 -1.26 -4.37 118.33 106.30 1d1z n VAL 2006Ca -0.02 -0.30 -0.41 0.00 -2.04 0.00 0.00 64.34 61.56 1d1z n VAL 2006Cb 0.30 0.33 -0.04 0.00 -1.47 0.00 0.00 33.84 32.96 1d1z n VAL 2006CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1d1z s TYR 2007N -1.84 3.57 -0.32 6.34 5.04 -0.70 -0.86 117.35 128.58 1d1z s TYR 2007Ca 0.33 1.47 0.02 0.00 -2.44 0.00 0.00 57.07 56.45 1d1z s TYR 2007Cb 0.18 -3.02 0.10 0.00 0.35 0.00 0.00 41.96 39.56 1d1z s TYR 2007CO 0.27 -0.05 0.06 -1.01 -1.34 0.00 0.00 175.55 173.48 1d1z s HIS 2008N 1.30 2.79 0.64 4.97 3.76 0.21 -4.96 115.29 124.02 1d1z s HIS 2008Ca 0.45 -2.38 -0.11 0.00 -0.15 0.00 0.00 55.06 52.87 1d1z s HIS 2008Cb -0.19 -2.32 -0.02 0.00 1.11 0.00 0.00 32.58 31.16 1d1z s HIS 2008CO 0.21 -0.91 1.05 0.20 -0.85 0.00 0.00 174.74 174.44 1d1z s GLY 2009N 1.24 1.65 0.00 -2.22 0.00 -1.26 -4.10 107.32 102.63 1d1z s GLY 2009Ca 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.64 1d1z s GLY 2009CO -0.15 0.12 0.00 0.28 0.00 0.00 0.00 173.10 173.35 1d1z n LYS 2010N -2.82 0.00 -1.93 2.90 4.76 -1.26 -4.97 118.16 114.84 1d1z n LYS 2010Ca 0.06 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.18 1d1z n LYS 2010Cb 0.55 -0.28 0.02 0.00 -1.84 0.00 0.00 35.03 33.48 1d1z n LYS 2010CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1d1z s ILE 2011N 0.00 3.78 0.73 -0.18 -4.36 -1.26 -5.01 121.20 114.90 1d1z s ILE 2011Ca 0.00 0.79 -0.09 0.00 -0.26 0.00 0.00 60.65 61.09 1d1z s ILE 2011Cb 0.00 -3.35 0.05 0.00 1.25 0.00 0.00 42.46 40.42 1d1z s ILE 2011CO 0.00 -0.54 1.08 -0.94 0.24 0.00 0.00 174.94 174.77 1d1z s SER 2012N -2.93 4.90 0.22 4.36 1.04 -1.26 -4.59 113.70 115.45 1d1z s SER 2012Ca 0.63 0.72 -0.08 0.00 0.48 0.00 0.00 55.95 57.71 1d1z s SER 2012Cb -0.16 -1.38 0.28 0.00 0.10 0.00 0.00 66.02 64.85 1d1z s SER 2012CO 0.40 -1.61 1.83 -0.09 0.98 0.00 0.00 173.24 174.76 1d1z h ARG 2013N -0.73 0.80 -0.74 4.02 2.43 -1.95 -1.37 114.38 116.84 1d1z h ARG 2013Ca -0.45 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 58.62 1d1z h ARG 2013Cb 1.30 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.64 1d1z h ARG 2013CO 0.63 0.53 0.27 1.49 -1.51 0.00 0.00 179.97 181.38 1d1z h GLU 2014N 0.82 1.13 -0.49 0.20 4.81 -1.99 0.33 114.58 119.39 1d1z h GLU 2014Ca 0.33 -0.22 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 1d1z h GLU 2014Cb 0.16 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1d1z h GLU 2014CO -0.17 0.94 0.16 1.15 -0.73 0.00 0.00 179.01 180.36 1d1z h THR 2015N 1.08 1.22 -0.54 0.32 2.02 -1.82 -0.66 112.91 114.52 1d1z h THR 2015Ca 0.24 -0.74 0.03 0.00 0.77 0.00 0.00 66.41 66.72 1d1z h THR 2015Cb 0.26 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 1d1z h THR 2015CO -0.01 0.27 0.32 1.23 0.37 0.00 0.00 175.52 177.70 1d1z h GLY 2016N 0.66 0.77 1.18 2.16 0.00 -0.91 -0.60 103.07 106.33 1d1z h GLY 2016Ca 0.16 -0.24 -0.10 0.00 0.00 0.00 0.00 47.33 47.15 1d1z h GLY 2016CO -0.01 0.19 -0.07 0.83 0.00 0.00 0.00 176.54 177.48 1d1z h GLU 2017N 0.63 0.97 -0.65 4.80 5.08 -0.58 -1.85 114.58 122.98 1d1z h GLU 2017Ca 0.22 -0.33 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 1d1z h GLU 2017Cb 0.05 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1d1z h GLU 2017CO -0.11 1.00 0.21 0.87 -1.00 0.00 0.00 179.01 179.98 1d1z h LYS 2018N 0.88 0.99 -0.27 2.33 1.79 -0.65 0.09 116.57 121.73 1d1z h LYS 2018Ca 0.15 -0.19 -0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1d1z h LYS 2018Cb 0.61 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.09 1d1z h LYS 2018CO 0.04 0.85 0.15 -0.07 -1.08 0.00 0.00 179.45 179.33 1d1z h LEU 2019N 0.96 0.33 -0.43 2.94 3.38 -0.79 -0.67 115.31 121.04 1d1z h LEU 2019Ca 0.21 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1d1z h LEU 2019Cb 0.27 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1d1z h LEU 2019CO -0.01 0.32 0.18 -0.07 0.09 0.00 0.00 178.44 178.95 1d1z h LEU 2020N 0.32 0.58 -1.42 1.67 3.38 -0.97 -2.37 115.31 116.49 1d1z h LEU 2020Ca 0.09 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1d1z h LEU 2020Cb 0.06 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1d1z h LEU 2020CO -0.02 0.58 0.07 -0.07 0.09 0.00 0.00 178.44 179.09 1d1z h LEU 2021N 0.54 0.41 -1.72 1.67 3.38 -0.82 -1.33 115.31 117.45 1d1z h LEU 2021Ca 0.14 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1d1z h LEU 2021Cb 0.17 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1d1z h LEU 2021CO -0.01 0.43 -0.05 0.00 0.09 0.00 0.00 178.44 178.89 1d1z h ALA 2022N 1.64 1.77 -0.04 1.53 0.00 -0.60 -1.64 119.26 121.91 1d1z h ALA 2022Ca 0.11 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1d1z h ALA 2022Cb 0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1d1z h ALA 2022CO -0.00 0.18 -0.48 1.79 0.00 0.00 0.00 179.25 180.73 1d1z h THR 2023N 0.11 1.35 -2.53 0.00 1.35 -0.97 -3.47 112.91 108.74 1d1z h THR 2023Ca 0.03 -1.68 -0.40 0.00 -0.55 0.00 0.00 66.41 63.81 1d1z h THR 2023Cb 0.17 1.85 -0.06 0.00 -1.73 0.00 0.00 68.15 68.38 1d1z h THR 2023CO 0.01 0.49 -0.47 0.61 -0.25 0.00 0.00 175.52 175.91 1d1z n GLY 2024N -0.09 0.18 3.19 5.82 0.00 -0.62 -4.98 105.19 108.69 1d1z n GLY 2024Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 1d1z n GLY 2024CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1d1z s LEU 2025N -5.60 1.98 0.04 0.99 1.43 -1.26 -5.09 118.68 111.16 1d1z s LEU 2025Ca 0.00 -0.42 -0.30 0.00 -1.03 0.00 0.00 54.13 52.37 1d1z s LEU 2025Cb 0.00 -1.14 -0.07 0.00 0.03 0.00 0.00 46.19 45.00 1d1z s LEU 2025CO 0.00 0.19 1.62 -1.81 0.23 0.00 0.00 176.35 176.58 1d1z s ASP 2026N -0.01 6.64 0.00 2.29 -0.00 -1.26 -2.18 116.67 122.16 1d1z s ASP 2026Ca -0.05 2.40 0.00 0.00 -0.00 0.00 0.00 52.55 54.90 1d1z s ASP 2026Cb -0.13 -2.56 0.00 0.00 -0.00 0.00 0.00 42.92 40.23 1d1z s ASP 2026CO 0.03 -0.87 0.00 0.61 -0.00 0.00 0.00 175.17 174.94 1d1z n GLY 2027N 3.98 0.68 3.76 0.21 0.00 0.12 -4.81 105.19 109.13 1d1z n GLY 2027Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1d1z n GLY 2027CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1d1z s SER 2028N -2.68 5.83 0.14 1.61 0.01 -0.92 -0.42 113.70 117.27 1d1z s SER 2028Ca 0.00 2.63 -0.15 0.00 1.31 0.00 0.00 55.95 59.74 1d1z s SER 2028Cb 0.00 -2.63 0.03 0.00 0.21 0.00 0.00 66.02 63.63 1d1z s SER 2028CO 0.00 -1.18 0.40 -0.72 0.41 0.00 0.00 173.24 172.16 1d1z s TYR 2029N -1.35 -0.12 0.26 2.43 -0.85 -0.49 -1.18 117.35 116.05 1d1z s TYR 2029Ca 0.65 -0.21 -0.13 0.00 -0.52 0.00 0.00 57.07 56.85 1d1z s TYR 2029Cb -0.37 0.24 -0.00 0.00 0.38 0.00 0.00 41.96 42.21 1d1z s TYR 2029CO 0.45 -0.73 0.51 -0.48 -1.52 0.00 0.00 175.55 173.78 1d1z s LEU 2030N -2.83 0.30 -0.05 -3.49 0.05 -0.63 -1.40 118.68 110.62 1d1z s LEU 2030Ca 0.05 -0.94 0.06 0.00 0.05 0.00 0.00 54.13 53.36 1d1z s LEU 2030Cb 0.02 1.86 -0.01 0.00 -2.05 0.00 0.00 46.19 46.00 1d1z s LEU 2030CO -0.09 -1.18 -0.24 -0.22 -0.55 0.00 0.00 176.35 174.07 1d1z s LEU 2031N -3.02 2.15 0.28 1.48 2.96 -0.04 -0.98 118.68 121.50 1d1z s LEU 2031Ca 0.22 -0.47 0.04 0.00 -0.22 0.00 0.00 54.13 53.70 1d1z s LEU 2031Cb -0.01 -1.39 -0.03 0.00 0.50 0.00 0.00 46.19 45.25 1d1z s LEU 2031CO 0.09 0.27 0.21 0.00 -1.32 0.00 0.00 176.35 175.60 1d1z s ARG 2032N -0.28 1.52 0.25 1.98 1.70 -0.49 -0.62 118.95 123.01 1d1z s ARG 2032Ca 0.00 -1.85 -0.30 0.00 -0.47 0.00 0.00 55.73 53.11 1d1z s ARG 2032Cb -0.13 0.29 -0.09 0.00 -0.57 0.00 0.00 34.95 34.45 1d1z s ARG 2032CO 0.03 -0.54 1.01 -0.51 -1.08 0.00 0.00 175.30 174.21 1d1z s ASP 2033N -3.28 7.49 0.18 -2.89 -0.00 -1.26 -0.11 116.67 116.80 1d1z s ASP 2033Ca 0.40 2.07 -0.31 0.00 -0.00 0.00 0.00 52.55 54.72 1d1z s ASP 2033Cb 0.04 -2.62 -0.09 0.00 -0.00 0.00 0.00 42.92 40.26 1d1z s ASP 2033CO 0.21 0.02 1.38 -0.55 -0.00 0.00 0.00 175.17 176.24 1d1z s SER 2034N -0.99 6.79 0.28 0.27 0.15 0.33 -4.69 113.70 115.84 1d1z s SER 2034Ca 0.43 2.46 0.24 0.00 0.70 0.00 0.00 55.95 59.77 1d1z s SER 2034Cb -0.28 -2.60 0.33 0.00 -1.71 0.00 0.00 66.02 61.75 1d1z s SER 2034CO 0.36 -0.63 1.43 -0.33 1.20 0.00 0.00 173.24 175.27 1d1z h GLU 2035N 5.85 0.00 0.08 5.44 5.08 -1.95 -3.38 114.58 125.71 1d1z h GLU 2035Ca -0.44 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 57.59 1d1z h GLU 2035Cb 1.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 1d1z h GLU 2035CO 0.81 0.00 -1.78 0.77 -1.00 0.00 0.00 179.01 177.81 1d1z h SER 2036N 0.00 0.28 -3.26 1.42 0.02 -1.96 -3.45 113.55 106.60 1d1z h SER 2036Ca 0.00 -0.55 -0.55 0.00 -0.84 0.00 0.00 61.79 59.85 1d1z h SER 2036Cb 0.91 -0.09 -0.40 0.00 0.14 0.00 0.00 62.40 62.96 1d1z h SER 2036CO 0.00 1.48 -0.76 -0.69 -1.14 0.00 0.00 176.83 175.72 1d1z s VAL 2037N -2.59 0.74 0.30 2.27 1.01 -1.26 -5.12 120.40 115.75 1d1z s VAL 2037Ca -0.13 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 60.63 1d1z s VAL 2037Cb 0.07 -1.33 -0.13 0.00 0.00 0.00 0.00 36.38 34.99 1d1z s VAL 2037CO 0.81 -0.37 1.36 -2.65 0.00 0.00 0.00 175.10 174.25 1d1z n PRO 2038N 4.94 2.13 0.00 2.72 -0.02 -1.26 -2.26 135.00 141.25 1d1z n PRO 2038Ca -0.07 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1d1z n PRO 2038Cb 0.45 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1d1z n PRO 2038CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1d1z n GLY 2039N 1.44 2.31 3.87 -1.23 0.00 -1.26 -5.03 105.19 105.29 1d1z n GLY 2039Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1d1z n GLY 2039CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d1z s VAL 2040N -2.28 4.86 0.40 1.61 1.01 -0.96 -4.95 120.40 120.09 1d1z s VAL 2040Ca 0.00 0.57 0.07 0.00 0.00 0.00 0.00 61.98 62.63 1d1z s VAL 2040Cb 0.00 -3.64 -0.06 0.00 0.00 0.00 0.00 36.38 32.68 1d1z s VAL 2040CO 0.00 -0.18 0.13 -0.31 0.00 0.00 0.00 175.10 174.74 1d1z s TYR 2041N -1.96 2.59 -0.12 5.22 1.51 0.25 -0.51 117.35 124.34 1d1z s TYR 2041Ca 0.49 -0.58 0.00 0.00 -1.01 0.00 0.00 57.07 55.98 1d1z s TYR 2041Cb -0.11 -1.87 0.02 0.00 -0.11 0.00 0.00 41.96 39.90 1d1z s TYR 2041CO 0.22 0.27 -0.10 0.00 -1.11 0.00 0.00 175.55 174.83 1d1z s LEU 2043N 1.52 4.13 -0.15 0.00 2.96 0.58 -1.39 118.68 126.33 1d1z s LEU 2043Ca 0.02 0.47 -0.00 0.00 -0.22 0.00 0.00 54.13 54.41 1d1z s LEU 2043Cb -0.13 -2.94 -0.01 0.00 0.50 0.00 0.00 46.19 43.61 1d1z s LEU 2043CO -0.07 -0.58 -0.14 0.00 -1.32 0.00 0.00 176.35 174.24 1d1z s VAL 2045N 0.70 1.05 -0.07 0.00 1.01 0.05 -1.60 120.40 121.55 1d1z s VAL 2045Ca -0.07 -0.51 -0.17 0.00 0.00 0.00 0.00 61.98 61.24 1d1z s VAL 2045Cb -0.15 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.25 1d1z s VAL 2045CO 0.02 0.32 0.45 -0.22 0.00 0.00 0.00 175.10 175.67 1d1z s LEU 2046N 0.15 4.36 -0.17 3.92 2.96 -0.32 -0.31 118.68 129.26 1d1z s LEU 2046Ca -0.04 0.89 -0.06 0.00 -0.22 0.00 0.00 54.13 54.70 1d1z s LEU 2046Cb -0.10 -2.66 0.08 0.00 0.50 0.00 0.00 46.19 44.01 1d1z s LEU 2046CO 0.01 0.13 0.36 -0.47 -1.32 0.00 0.00 176.35 175.06 1d1z s TYR 2047N -0.08 -0.65 -1.55 5.38 6.04 0.23 0.12 117.35 126.83 1d1z s TYR 2047Ca 0.25 1.30 -0.13 0.00 0.04 0.00 0.00 57.07 58.53 1d1z s TYR 2047Cb -0.16 0.17 0.09 0.00 -1.04 0.00 0.00 41.96 41.02 1d1z s TYR 2047CO 0.12 -0.43 0.90 0.72 -1.54 0.00 0.00 175.55 175.31 1d1z n HIS 2048N 5.36 -2.13 -0.36 4.97 8.25 -1.26 -1.78 115.22 128.28 1d1z n HIS 2048Ca -0.08 0.87 0.00 0.00 -0.26 0.00 0.00 57.72 58.25 1d1z n HIS 2048Cb 0.50 -3.78 0.00 0.00 1.12 0.00 0.00 29.99 27.83 1d1z n HIS 2048CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1d1z n GLY 2049N -1.64 0.95 3.42 -1.41 0.00 -1.26 -5.03 105.19 100.22 1d1z n GLY 2049Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1d1z n GLY 2049CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1d1z s TYR 2050N -2.86 2.50 -0.16 1.61 1.51 -0.73 -5.08 117.35 114.15 1d1z s TYR 2050Ca 0.00 -0.30 -0.10 0.00 -1.01 0.00 0.00 57.07 55.66 1d1z s TYR 2050Cb 0.00 -1.49 -0.05 0.00 -0.11 0.00 0.00 41.96 40.32 1d1z s TYR 2050CO 0.00 0.17 0.19 0.42 -1.11 0.00 0.00 175.55 175.22 1d1z s ILE 2051N -0.82 5.39 -0.15 2.71 1.09 -1.26 -0.60 121.20 127.56 1d1z s ILE 2051Ca 0.13 0.32 -0.03 0.00 -1.10 0.00 0.00 60.65 59.96 1d1z s ILE 2051Cb -0.10 -3.51 -0.03 0.00 -1.06 0.00 0.00 42.46 37.76 1d1z s ILE 2051CO 0.03 0.48 -0.04 -0.31 -0.10 0.00 0.00 174.94 175.00 1d1z s TYR 2052N -0.02 3.03 -0.16 3.97 1.51 0.58 -4.94 117.35 121.32 1d1z s TYR 2052Ca 0.13 -0.25 0.01 0.00 -1.01 0.00 0.00 57.07 55.95 1d1z s TYR 2052Cb -0.12 -1.94 0.01 0.00 -0.11 0.00 0.00 41.96 39.80 1d1z s TYR 2052CO 0.02 0.01 -0.19 0.99 -1.11 0.00 0.00 175.55 175.27 1d1z s THR 2053N 0.23 2.24 -0.16 -0.71 2.01 -1.26 -0.77 115.64 117.23 1d1z s THR 2053Ca -0.02 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 61.08 1d1z s THR 2053Cb -0.14 -1.93 0.00 0.00 0.01 0.00 0.00 72.50 70.45 1d1z s THR 2053CO 0.03 0.53 -0.16 -0.31 -0.69 0.00 0.00 174.62 174.02 1d1z s TYR 2054N 0.99 2.77 0.17 4.92 1.51 0.52 -4.95 117.35 123.28 1d1z s TYR 2054Ca -0.02 -1.18 -0.30 0.00 -1.01 0.00 0.00 57.07 54.56 1d1z s TYR 2054Cb -0.15 -1.89 -0.08 0.00 -0.11 0.00 0.00 41.96 39.73 1d1z s TYR 2054CO -0.05 -0.55 1.17 1.03 -1.11 0.00 0.00 175.55 176.04 1d1z s ARG 2055N 0.92 4.51 -0.17 -0.62 1.81 -1.26 -0.31 118.95 123.83 1d1z s ARG 2055Ca -0.04 1.82 0.00 0.00 -1.72 0.00 0.00 55.73 55.79 1d1z s ARG 2055Cb -0.15 -3.26 0.01 0.00 -0.45 0.00 0.00 34.95 31.09 1d1z s ARG 2055CO -0.02 -0.07 -0.16 0.08 -0.68 0.00 0.00 175.30 174.45 1d1z s VAL 2056N 0.04 2.51 0.00 3.52 1.01 0.08 -0.59 120.40 126.96 1d1z s VAL 2056Ca 0.53 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1d1z s VAL 2056Cb -0.31 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.00 1d1z s VAL 2056CO 0.35 0.51 0.00 -1.54 0.00 0.00 0.00 175.10 174.42 1d1z n SER 2057N 4.41 0.00 -0.51 3.32 3.41 -1.26 -0.58 113.62 122.41 1d1z n SER 2057Ca -0.20 -0.66 0.00 0.00 -0.26 0.00 0.00 58.87 57.75 1d1z n SER 2057Cb 0.51 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1d1z n SER 2057CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1d1z n SER 2065N 0.00 -0.05 -4.67 4.04 3.41 -1.26 -4.98 113.62 110.10 1d1z n SER 2065Ca 0.00 0.01 -0.34 0.00 -0.26 0.00 0.00 58.87 58.28 1d1z n SER 2065Cb 0.31 -1.52 -0.09 0.00 -0.26 0.00 0.00 64.21 62.64 1d1z n SER 2065CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1d1z s ALA 2066N -4.72 3.26 -0.38 7.33 0.00 -1.26 -5.00 121.76 120.99 1d1z s ALA 2066Ca 0.00 -0.87 -0.26 0.00 0.00 0.00 0.00 51.96 50.83 1d1z s ALA 2066Cb 0.00 -1.40 0.02 0.00 0.00 0.00 0.00 23.12 21.74 1d1z s ALA 2066CO 0.00 0.61 0.93 -2.00 0.00 0.00 0.00 175.76 175.30 1d1z s GLU 2067N -1.16 3.81 0.00 0.00 2.12 0.24 -4.85 118.70 118.85 1d1z s GLU 2067Ca 0.16 0.53 0.00 0.00 0.36 0.00 0.00 54.97 56.02 1d1z s GLU 2067Cb -0.11 -3.82 0.00 0.00 0.26 0.00 0.00 34.13 30.46 1d1z s GLU 2067CO 0.06 -0.98 0.00 0.25 -0.54 0.00 0.00 175.26 174.04 1d1z n THR 2068N 6.03 0.00 -1.99 -1.70 -2.24 -1.26 -4.22 114.28 108.90 1d1z n THR 2068Ca 0.07 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.44 1d1z n THR 2068Cb 0.48 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.69 1d1z n THR 2068CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1d1z s ALA 2069N -2.00 3.56 0.40 6.98 0.00 -0.89 -4.92 121.76 124.89 1d1z s ALA 2069Ca 0.00 1.37 -0.26 0.00 0.00 0.00 0.00 51.96 53.07 1d1z s ALA 2069Cb 0.00 -3.54 -0.10 0.00 0.00 0.00 0.00 23.12 19.48 1d1z s ALA 2069CO 0.00 -0.79 1.24 -2.30 0.00 0.00 0.00 175.76 173.91 1d1z n PRO 2070N 1.16 1.91 0.00 0.00 -0.02 -1.26 -1.75 135.00 135.03 1d1z n PRO 2070Ca 0.02 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1d1z n PRO 2070Cb 0.41 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1d1z n PRO 2070CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1d1z n GLY 2071N 0.84 1.79 3.77 -1.23 0.00 -1.26 -5.04 105.19 104.06 1d1z n GLY 2071Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1d1z n GLY 2071CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d1z s VAL 2072N -2.46 4.97 -0.22 1.61 1.01 -0.72 -4.99 120.40 119.60 1d1z s VAL 2072Ca 0.00 1.13 -0.28 0.00 0.00 0.00 0.00 61.98 62.82 1d1z s VAL 2072Cb 0.00 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 1d1z s VAL 2072CO 0.00 0.43 2.23 1.57 0.00 0.00 0.00 175.10 179.33 1d1z n HIS 2073N 2.70 1.96 -2.22 5.22 -0.00 -1.26 -4.91 115.22 116.71 1d1z n HIS 2073Ca -0.08 -0.13 -0.42 0.00 -0.00 0.00 0.00 57.72 57.09 1d1z n HIS 2073Cb 0.51 -2.73 -0.03 0.00 -0.00 0.00 0.00 29.99 27.75 1d1z n HIS 2073CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 1d1z s LYS 2074N 6.36 4.35 0.09 1.57 2.20 -1.26 -5.00 119.74 128.06 1d1z s LYS 2074Ca 1.01 2.02 0.03 0.00 -0.36 0.00 0.00 55.97 58.66 1d1z s LYS 2074Cb -0.34 -3.26 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 1d1z s LYS 2074CO 0.35 -0.37 0.14 1.03 -0.36 0.00 0.00 175.35 176.14 1d1z s ARG 2075N 0.89 3.07 0.02 4.03 0.52 -1.26 -5.11 118.95 121.11 1d1z s ARG 2075Ca 0.62 -0.65 0.05 0.00 -0.52 0.00 0.00 55.73 55.23 1d1z s ARG 2075Cb -0.35 -2.81 -0.02 0.00 0.52 0.00 0.00 34.95 32.29 1d1z s ARG 2075CO 0.31 0.56 -0.15 0.71 0.02 0.00 0.00 175.30 176.75 1d1z s TYR 2076N -1.50 1.32 0.00 -0.53 2.02 -1.26 -4.43 117.35 112.97 1d1z s TYR 2076Ca 0.31 -0.32 0.03 0.00 -0.37 0.00 0.00 57.07 56.72 1d1z s TYR 2076Cb -0.12 -0.80 -0.01 0.00 -0.40 0.00 0.00 41.96 40.63 1d1z s TYR 2076CO 0.24 0.03 -0.09 -0.06 -1.57 0.00 0.00 175.55 174.10 1d1z s PHE 2077N -0.69 0.80 0.25 2.71 0.40 -1.26 -5.01 117.98 115.18 1d1z s PHE 2077Ca 0.04 -0.20 -0.01 0.00 -0.60 0.00 0.00 56.93 56.15 1d1z s PHE 2077Cb -0.07 -0.50 0.30 0.00 0.51 0.00 0.00 43.02 43.25 1d1z s PHE 2077CO 0.01 -0.01 1.68 0.00 0.70 0.00 0.00 175.22 177.59 1d1z h ARG 2078N 5.68 0.63 -5.94 0.44 3.08 -2.00 -3.44 114.38 112.82 1d1z h ARG 2078Ca -0.32 -0.24 -0.65 0.00 0.07 0.00 0.00 59.98 58.84 1d1z h ARG 2078Cb 1.18 -0.04 -0.31 0.00 0.08 0.00 0.00 29.97 30.89 1d1z h ARG 2078CO 0.48 0.81 -0.87 0.15 -1.07 0.00 0.00 179.97 179.47 1d1z s LYS 2079N -4.57 2.19 0.40 0.04 -0.14 -1.26 -5.01 119.74 111.39 1d1z s LYS 2079Ca -0.08 -0.82 0.15 0.00 -1.36 0.00 0.00 55.97 53.86 1d1z s LYS 2079Cb 0.13 -1.93 0.84 0.00 -1.68 0.00 0.00 37.83 35.19 1d1z s LYS 2079CO 0.81 0.39 1.88 0.97 -0.76 0.00 0.00 175.35 178.63 1d1z h ILE 2080N 4.96 1.16 -0.07 2.17 6.09 -2.00 -2.11 117.51 127.71 1d1z h ILE 2080Ca -0.35 -1.10 -0.03 0.00 -1.37 0.00 0.00 64.86 62.02 1d1z h ILE 2080Cb 1.16 1.60 -0.01 0.00 0.47 0.00 0.00 36.82 40.05 1d1z h ILE 2080CO 0.47 0.31 -0.11 0.07 -3.07 0.00 0.00 178.15 175.82 1d1z h LYS 2081N 0.00 0.11 0.02 2.19 2.10 -1.99 -0.09 116.57 118.90 1d1z h LYS 2081Ca -0.00 -0.02 -0.20 0.00 -2.00 0.00 0.00 60.65 58.42 1d1z h LYS 2081Cb 0.58 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.87 1d1z h LYS 2081CO 0.04 0.22 -0.95 -0.91 -2.00 0.00 0.00 179.45 175.85 1d1z h ASN 2082N 0.10 0.10 -0.02 7.07 2.35 -1.81 -1.99 115.58 121.38 1d1z h ASN 2082Ca 0.02 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1d1z h ASN 2082Cb 0.26 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.60 1d1z h ASN 2082CO 0.02 0.99 0.02 0.25 -1.65 0.00 0.00 177.43 177.05 1d1z h LEU 2083N 0.03 0.03 -0.52 1.61 6.46 -1.04 -1.24 115.31 120.64 1d1z h LEU 2083Ca -0.03 -0.01 0.05 0.00 -0.12 0.00 0.00 57.88 57.76 1d1z h LEU 2083Cb 1.65 -0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 41.52 1d1z h LEU 2083CO 0.13 0.03 0.26 0.40 -0.62 0.00 0.00 178.44 178.64 1d1z h ILE 2084N 0.02 0.94 -0.77 4.05 1.08 -0.98 -2.07 117.51 119.78 1d1z h ILE 2084Ca 0.01 -0.17 -0.01 0.00 -0.39 0.00 0.00 64.86 64.30 1d1z h ILE 2084Cb 0.01 0.40 -0.04 0.00 -3.07 0.00 0.00 36.82 34.13 1d1z h ILE 2084CO -0.00 0.09 0.44 0.28 -0.69 0.00 0.00 178.15 178.27 1d1z h SER 2085N 0.50 0.95 -0.53 1.72 0.02 -1.23 -2.37 113.55 112.61 1d1z h SER 2085Ca 0.23 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 1d1z h SER 2085Cb 0.15 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 1d1z h SER 2085CO -0.17 0.76 0.28 0.00 -1.14 0.00 0.00 176.83 176.56 1d1z h ALA 2086N 1.23 1.44 -0.07 3.77 0.00 -0.71 -2.22 119.26 122.69 1d1z h ALA 2086Ca 0.27 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1d1z h ALA 2086Cb 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1d1z h ALA 2086CO -0.05 0.45 0.00 1.19 0.00 0.00 0.00 179.25 180.84 1d1z n PHE 2087N -4.37 0.09 1.36 0.00 3.01 -0.82 -2.33 117.46 114.40 1d1z n PHE 2087Ca 0.05 -0.05 0.14 0.00 1.01 0.00 0.00 57.45 58.61 1d1z n PHE 2087Cb 0.12 0.00 0.69 0.00 -0.01 0.00 0.00 39.48 40.28 1d1z n PHE 2087CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1d1z n GLN 2088N -0.35 0.44 -4.00 -1.08 6.02 -0.83 -1.14 117.38 116.43 1d1z n GLN 2088Ca 0.12 -0.06 -0.26 0.00 -0.01 0.00 0.00 57.00 56.79 1d1z n GLN 2088Cb 0.14 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.86 1d1z n GLN 2088CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1d1z s LYS 2089N -2.61 3.21 1.01 -1.09 1.02 -0.98 -4.59 119.74 115.70 1d1z s LYS 2089Ca 0.26 -0.71 -0.12 0.00 0.02 0.00 0.00 55.97 55.42 1d1z s LYS 2089Cb 0.20 -2.83 0.19 0.00 -0.52 0.00 0.00 37.83 34.87 1d1z s LYS 2089CO 0.48 0.51 1.10 -1.25 -0.92 0.00 0.00 175.35 175.27 1d1z s PRO 2090N -3.15 0.35 -1.29 -1.68 0.04 -1.26 -4.26 135.00 123.76 1d1z s PRO 2090Ca 0.33 0.47 -0.04 0.00 0.04 0.00 0.00 61.00 61.80 1d1z s PRO 2090Cb -0.11 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1d1z s PRO 2090CO 0.26 -2.77 0.51 -0.25 0.04 0.00 0.00 177.00 174.79 1d1z n ASP 2091N -4.20 -5.36 -0.89 6.66 9.92 -1.26 -4.90 116.55 116.53 1d1z n ASP 2091Ca 0.05 -0.24 0.10 0.00 -0.53 0.00 0.00 54.79 54.17 1d1z n ASP 2091Cb 0.57 -4.19 0.14 0.00 -0.64 0.00 0.00 41.12 37.00 1d1z n ASP 2091CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1d1z n GLN 2092N -3.47 2.06 -0.05 -1.24 1.13 -1.26 -4.98 117.38 109.57 1d1z n GLN 2092Ca -0.09 -1.93 0.00 0.00 -1.94 0.00 0.00 57.00 53.04 1d1z n GLN 2092Cb 0.60 -1.41 0.00 0.00 0.11 0.00 0.00 30.24 29.54 1d1z n GLN 2092CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1d1z n GLY 2093N 1.16 0.74 3.80 1.08 0.00 -1.26 -4.85 105.19 105.86 1d1z n GLY 2093Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 1d1z n GLY 2093CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1d1z s ILE 2094N -2.05 2.46 0.29 -0.61 -4.36 -1.26 -2.10 121.20 113.57 1d1z s ILE 2094Ca 0.00 -1.54 0.11 0.00 -0.26 0.00 0.00 60.65 58.95 1d1z s ILE 2094Cb 0.00 -3.00 0.00 0.00 1.25 0.00 0.00 42.46 40.71 1d1z s ILE 2094CO 0.00 -0.00 1.66 1.62 0.24 0.00 0.00 174.94 178.46 1d1z h VAL 2095N 1.26 1.40 -2.56 8.37 3.04 -2.00 -3.44 116.25 122.32 1d1z h VAL 2095Ca -0.42 -1.92 -0.09 0.00 -1.01 0.00 0.00 66.70 63.26 1d1z h VAL 2095Cb 1.26 2.03 -0.21 0.00 -2.01 0.00 0.00 31.29 32.36 1d1z h VAL 2095CO 0.65 0.55 -0.10 -0.51 -1.01 0.00 0.00 177.57 177.15 1d1z s ILE 2096N -3.75 0.02 0.69 3.17 1.10 -1.26 -5.12 121.20 116.05 1d1z s ILE 2096Ca -0.02 -0.15 -0.16 0.00 -0.51 0.00 0.00 60.65 59.81 1d1z s ILE 2096Cb 0.13 -0.74 0.02 0.00 0.15 0.00 0.00 42.46 42.01 1d1z s ILE 2096CO 0.76 -0.08 1.23 -2.84 -2.11 0.00 0.00 174.94 171.89 1d1z s PRO 2097N -0.58 2.36 0.11 3.50 0.02 -1.26 -4.93 135.00 134.21 1d1z s PRO 2097Ca -0.07 1.84 -0.31 0.00 0.02 0.00 0.00 61.00 62.48 1d1z s PRO 2097Cb -0.03 -1.85 -0.09 0.00 0.02 0.00 0.00 34.50 32.54 1d1z s PRO 2097CO 0.04 -1.69 1.70 -0.51 -0.33 0.00 0.00 177.00 176.22 1d1z s LEU 2098N -4.81 4.38 0.00 -5.54 1.43 -0.29 -4.61 118.68 109.23 1d1z s LEU 2098Ca 0.77 2.61 0.00 0.00 -1.03 0.00 0.00 54.13 56.48 1d1z s LEU 2098Cb -0.31 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.34 1d1z s LEU 2098CO 0.42 -0.92 0.00 0.00 0.23 0.00 0.00 176.35 176.08 1d1z n GLN 2099N 5.35 0.31 -3.78 1.70 6.02 0.44 -4.37 117.38 123.05 1d1z n GLN 2099Ca 0.16 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.88 1d1z n GLN 2099Cb 0.39 -0.84 -0.17 0.00 1.02 0.00 0.00 30.24 30.64 1d1z n GLN 2099CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1d1z s TYR 2100N -1.69 1.15 0.19 1.08 1.51 -0.55 -4.96 117.35 114.09 1d1z s TYR 2100Ca 0.00 -0.84 -0.30 0.00 -1.01 0.00 0.00 57.07 54.92 1d1z s TYR 2100Cb 0.00 -1.07 -0.08 0.00 -0.11 0.00 0.00 41.96 40.71 1d1z s TYR 2100CO 0.00 -0.58 1.04 -1.25 -1.11 0.00 0.00 175.55 173.65 1d1z s PRO 2101N 1.81 4.67 -0.51 -1.71 0.04 -1.26 -1.40 135.00 136.64 1d1z s PRO 2101Ca -0.00 1.63 -0.16 0.00 0.04 0.00 0.00 61.00 62.51 1d1z s PRO 2101Cb -0.16 -3.29 0.10 0.00 0.04 0.00 0.00 34.50 31.19 1d1z s PRO 2101CO -0.07 0.20 0.48 0.08 0.04 0.00 0.00 177.00 177.73 1d1z s VAL 2102N -0.46 5.16 -0.03 -0.36 1.01 -0.49 -4.89 120.40 120.33 1d1z s VAL 2102Ca 0.47 -1.18 0.20 0.00 0.00 0.00 0.00 61.98 61.47 1d1z s VAL 2102Cb -0.28 -4.25 -0.30 0.00 0.00 0.00 0.00 36.38 31.55 1d1z s VAL 2102CO 0.34 -0.76 0.42 -0.62 0.00 0.00 0.00 175.10 174.48 1d1z n GLU 2103N 5.40 0.61 0.00 2.72 1.02 -1.26 -4.44 120.64 124.69 1d1z n GLU 2103Ca -0.12 -0.17 0.00 0.00 -0.02 0.00 0.00 57.16 56.84 1d1z n GLU 2103Cb 0.42 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 1d1z n GLU 2103CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67