#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jqb s LYS 2002N 0.00 2.76 -0.29 2.12 -2.85 -1.26 0.05 119.74 120.27 1jqb s LYS 2002Ca 0.00 -0.88 -0.19 0.00 -1.00 0.00 0.00 55.97 53.89 1jqb s LYS 2002Cb 0.00 -2.59 0.16 0.00 -2.06 0.00 0.00 37.83 33.34 1jqb s LYS 2002CO 0.00 0.50 1.11 0.20 0.10 0.00 0.00 175.35 177.25 1jqb s GLY 2003N -2.87 0.13 -0.17 0.59 0.00 -0.87 -2.15 107.32 101.99 1jqb s GLY 2003Ca 0.29 3.22 -0.29 0.00 0.00 0.00 0.00 44.72 47.94 1jqb s GLY 2003CO 0.22 2.36 2.01 -0.12 0.00 0.00 0.00 173.10 177.57 1jqb s PHE 2004N 0.85 1.42 0.40 1.90 5.36 -0.64 -2.55 117.98 124.72 1jqb s PHE 2004Ca -0.04 0.32 0.04 0.00 -0.96 0.00 0.00 56.93 56.28 1jqb s PHE 2004Cb -0.04 -4.03 -0.04 0.00 -0.34 0.00 0.00 43.02 38.57 1jqb s PHE 2004CO -0.12 -4.11 0.07 0.00 -1.46 0.00 0.00 175.22 169.60 1jqb s ALA 2005N 6.73 2.97 -0.76 11.12 0.00 -0.84 -2.19 121.76 138.79 1jqb s ALA 2005Ca 0.90 -1.47 -0.20 0.00 0.00 0.00 0.00 51.96 51.20 1jqb s ALA 2005Cb -0.33 0.54 0.10 0.00 0.00 0.00 0.00 23.12 23.43 1jqb s ALA 2005CO 0.35 -0.25 0.98 1.41 0.00 0.00 0.00 175.76 178.25 1jqb s MET 2006N -3.80 3.30 0.22 0.00 1.75 0.43 -2.41 119.30 118.79 1jqb s MET 2006Ca 0.26 -1.32 -0.08 0.00 -1.25 0.00 0.00 55.69 53.30 1jqb s MET 2006Cb 0.05 -4.51 0.34 0.00 2.84 0.00 0.00 34.83 33.55 1jqb s MET 2006CO 0.13 -1.74 1.74 -0.07 -0.65 0.00 0.00 175.02 174.43 1jqb h LEU 2007N 10.66 0.25 0.00 4.11 3.38 -1.58 -2.99 115.31 129.15 1jqb h LEU 2007Ca -0.10 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1jqb h LEU 2007Cb 1.05 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1jqb h LEU 2007CO 1.13 0.13 0.00 0.61 0.09 0.00 0.00 178.44 180.40 1jqb n GLY 2008N -1.31 0.45 3.65 0.83 0.00 -1.13 -3.91 105.19 103.78 1jqb n GLY 2008Ca 0.11 -0.81 -0.48 0.00 0.00 0.00 0.00 46.02 44.84 1jqb n GLY 2008CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1jqb n ILE 2009N -0.00 0.01 -1.08 -0.61 5.41 -1.26 -0.60 119.36 121.23 1jqb n ILE 2009Ca 0.00 -0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.71 1jqb n ILE 2009Cb 0.00 -1.36 -0.02 0.00 -0.71 0.00 0.00 39.64 37.56 1jqb n ILE 2009CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1jqb n ASN 2010N 3.26 -5.67 -4.15 4.38 5.03 -1.20 -4.93 115.26 111.98 1jqb n ASN 2010Ca 0.17 0.10 -0.32 0.00 0.87 0.00 0.00 54.58 55.40 1jqb n ASN 2010Cb 0.26 -3.64 -0.16 0.00 -1.02 0.00 0.00 39.78 35.22 1jqb n ASN 2010CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1jqb s LYS 2011N -2.27 2.93 0.07 3.52 -0.14 0.23 -5.02 119.74 119.06 1jqb s LYS 2011Ca 0.00 -0.82 0.05 0.00 -1.36 0.00 0.00 55.97 53.84 1jqb s LYS 2011Cb 0.00 -2.40 -0.03 0.00 -1.68 0.00 0.00 37.83 33.72 1jqb s LYS 2011CO 0.00 -0.05 -0.15 -0.51 -0.76 0.00 0.00 175.35 173.88 1jqb s LEU 2012N 0.91 2.26 0.00 3.17 1.43 -1.26 -1.56 118.68 123.63 1jqb s LEU 2012Ca -0.05 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 1jqb s LEU 2012Cb -0.15 -0.57 0.00 0.00 0.03 0.00 0.00 46.19 45.50 1jqb s LEU 2012CO -0.04 -0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.11 1jqb n GLY 2013N 1.35 2.07 3.77 -3.19 0.00 -1.01 -4.87 105.19 103.31 1jqb n GLY 2013Ca -0.21 -0.59 -0.36 0.00 0.00 0.00 0.00 46.02 44.86 1jqb n GLY 2013CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jqb s TRP 2014N -2.00 2.62 0.17 1.61 0.52 -1.26 -1.99 118.94 118.61 1jqb s TRP 2014Ca 0.00 1.53 -0.04 0.00 0.02 0.00 0.00 56.10 57.60 1jqb s TRP 2014Cb 0.00 -3.38 -0.03 0.00 -1.15 0.00 0.00 33.47 28.92 1jqb s TRP 2014CO 0.00 -1.77 0.18 0.96 0.02 0.00 0.00 176.95 176.33 1jqb s ILE 2015N -1.66 0.06 -0.23 2.03 -4.36 -1.05 -4.88 121.20 111.09 1jqb s ILE 2015Ca 0.72 -1.73 -0.07 0.00 -0.26 0.00 0.00 60.65 59.31 1jqb s ILE 2015Cb -0.27 -2.10 -0.03 0.00 1.25 0.00 0.00 42.46 41.31 1jqb s ILE 2015CO 0.31 -0.27 0.05 -1.61 0.24 0.00 0.00 174.94 173.66 1jqb s GLU 2016N -4.05 3.67 0.04 0.37 0.41 -1.26 -2.04 118.70 115.85 1jqb s GLU 2016Ca 0.25 -0.48 0.01 0.00 -0.41 0.00 0.00 54.97 54.35 1jqb s GLU 2016Cb 0.05 -3.26 -0.03 0.00 -1.78 0.00 0.00 34.13 29.12 1jqb s GLU 2016CO 0.04 -0.11 -0.06 0.15 -0.49 0.00 0.00 175.26 174.80 1jqb s LYS 2017N 1.38 0.51 0.36 1.61 1.02 0.11 -4.94 119.74 119.78 1jqb s LYS 2017Ca 0.05 -0.82 -0.27 0.00 0.02 0.00 0.00 55.97 54.95 1jqb s LYS 2017Cb -0.15 -0.12 -0.09 0.00 -0.52 0.00 0.00 37.83 36.95 1jqb s LYS 2017CO 0.03 -0.00 1.24 -1.83 -0.92 0.00 0.00 175.35 173.87 1jqb s GLU 2018N -2.01 4.22 0.19 1.68 -1.05 -1.26 -1.44 118.70 119.03 1jqb s GLU 2018Ca -0.08 2.05 -0.32 0.00 -0.15 0.00 0.00 54.97 56.48 1jqb s GLU 2018Cb -0.07 -2.91 -0.11 0.00 -0.44 0.00 0.00 34.13 30.61 1jqb s GLU 2018CO -0.01 -0.25 1.64 0.50 0.95 0.00 0.00 175.26 178.09 1jqb s ARG 2019N -1.99 4.17 0.27 -4.83 3.52 -1.26 -4.88 118.95 113.96 1jqb s ARG 2019Ca 0.52 2.49 -0.29 0.00 -0.13 0.00 0.00 55.73 58.31 1jqb s ARG 2019Cb -0.36 -3.11 -0.10 0.00 -1.56 0.00 0.00 34.95 29.82 1jqb s ARG 2019CO 0.47 -0.68 1.34 -1.25 -0.81 0.00 0.00 175.30 174.37 1jqb s PRO 2020N 1.11 4.35 0.26 5.12 0.04 -1.26 -5.01 135.00 139.61 1jqb s PRO 2020Ca 0.72 2.19 -0.08 0.00 0.04 0.00 0.00 61.00 63.87 1jqb s PRO 2020Cb -0.47 -3.12 -0.06 0.00 0.04 0.00 0.00 34.50 30.89 1jqb s PRO 2020CO 0.32 -0.25 0.56 0.14 0.04 0.00 0.00 177.00 177.81 1jqb s VAL 2021N -0.52 4.96 0.07 -0.36 -7.23 -1.26 -4.94 120.40 111.13 1jqb s VAL 2021Ca 0.53 0.32 -0.13 0.00 -1.81 0.00 0.00 61.98 60.89 1jqb s VAL 2021Cb -0.39 -3.67 -0.06 0.00 0.56 0.00 0.00 36.38 32.82 1jqb s VAL 2021CO 0.46 -0.20 0.45 0.00 -0.31 0.00 0.00 175.10 175.51 1jqb s ALA 2022N -1.96 3.67 0.78 1.32 0.00 -1.26 -5.03 121.76 119.28 1jqb s ALA 2022Ca 0.46 -0.24 -0.06 0.00 0.00 0.00 0.00 51.96 52.12 1jqb s ALA 2022Cb -0.11 -2.39 0.13 0.00 0.00 0.00 0.00 23.12 20.75 1jqb s ALA 2022CO 0.25 0.50 1.08 0.20 0.00 0.00 0.00 175.76 177.79 1jqb s GLY 2023N -1.51 1.76 0.51 0.00 0.00 -1.26 -4.84 107.32 101.97 1jqb s GLY 2023Ca 0.31 -1.41 0.29 0.00 0.00 0.00 0.00 44.72 43.91 1jqb s GLY 2023CO 0.17 -0.83 1.89 1.76 0.00 0.00 0.00 173.10 176.09 1jqb h SER 2024N -0.82 0.08 -0.27 1.64 0.02 -1.97 -1.19 113.55 111.04 1jqb h SER 2024Ca -0.40 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1jqb h SER 2024Cb 1.27 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 1jqb h SER 2024CO 0.44 0.03 0.00 -1.22 -1.14 0.00 0.00 176.83 174.94 1jqb n TYR 2025N -4.32 0.36 -3.02 3.45 4.02 -1.26 -0.45 117.16 115.93 1jqb n TYR 2025Ca 0.18 -0.41 -0.18 0.00 -0.01 0.00 0.00 57.90 57.49 1jqb n TYR 2025Cb 0.90 -0.02 0.03 0.00 -0.02 0.00 0.00 39.34 40.23 1jqb n TYR 2025CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1jqb s ASP 2026N -0.98 5.41 -0.00 7.72 1.01 -0.45 -0.74 116.67 128.64 1jqb s ASP 2026Ca 0.20 -0.61 -0.01 0.00 0.71 0.00 0.00 52.55 52.84 1jqb s ASP 2026Cb 0.11 -0.24 -0.00 0.00 1.01 0.00 0.00 42.92 43.80 1jqb s ASP 2026CO 0.15 -1.02 0.02 0.00 0.21 0.00 0.00 175.17 174.52 1jqb s ALA 2027N -2.49 -0.02 -0.14 5.23 0.00 -0.68 -0.76 121.76 122.90 1jqb s ALA 2027Ca 0.58 -0.14 -0.06 0.00 0.00 0.00 0.00 51.96 52.34 1jqb s ALA 2027Cb -0.08 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 1jqb s ALA 2027CO 0.36 -0.07 0.09 0.42 0.00 0.00 0.00 175.76 176.56 1jqb s ILE 2028N -0.51 5.07 0.06 0.00 -1.09 0.19 -1.05 121.20 123.88 1jqb s ILE 2028Ca -0.06 0.05 0.06 0.00 -2.23 0.00 0.00 60.65 58.48 1jqb s ILE 2028Cb -0.04 -3.23 -0.03 0.00 -1.58 0.00 0.00 42.46 37.59 1jqb s ILE 2028CO -0.00 0.55 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.41 1jqb s VAL 2029N -0.47 1.34 -0.14 2.92 1.01 0.27 -1.51 120.40 123.81 1jqb s VAL 2029Ca 0.11 -1.23 -0.00 0.00 0.00 0.00 0.00 61.98 60.86 1jqb s VAL 2029Cb -0.12 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 1jqb s VAL 2029CO 0.02 -0.03 -0.13 0.00 0.00 0.00 0.00 175.10 174.96 1jqb s ARG 2030N -1.46 3.38 0.34 2.72 1.70 -0.79 0.07 118.95 124.91 1jqb s ARG 2030Ca 0.03 -0.68 -0.29 0.00 -0.47 0.00 0.00 55.73 54.32 1jqb s ARG 2030Cb -0.09 -2.66 -0.11 0.00 -0.57 0.00 0.00 34.95 31.52 1jqb s ARG 2030CO 0.02 0.17 1.46 -1.25 -1.08 0.00 0.00 175.30 174.62 1jqb s PRO 2031N 0.46 4.18 -0.10 3.89 0.04 -1.26 -1.61 135.00 140.61 1jqb s PRO 2031Ca -0.09 2.46 0.13 0.00 0.04 0.00 0.00 61.00 63.54 1jqb s PRO 2031Cb -0.16 -3.02 -0.19 0.00 0.04 0.00 0.00 34.50 31.18 1jqb s PRO 2031CO 0.04 -0.46 0.12 1.28 0.04 0.00 0.00 177.00 178.02 1jqb n LEU 2032N 1.06 0.00 -3.63 -3.56 4.77 -0.30 -4.83 117.00 110.51 1jqb n LEU 2032Ca 0.03 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.88 1jqb n LEU 2032Cb 0.40 0.25 -0.07 0.00 -2.33 0.00 0.00 43.42 41.66 1jqb n LEU 2032CO 0.62 0.25 0.52 0.00 -1.33 0.00 0.00 177.39 177.45 1jqb s ALA 2033N -2.52 -1.84 0.20 -1.18 0.00 -1.11 -2.79 121.76 112.53 1jqb s ALA 2033Ca -0.06 1.98 -0.01 0.00 0.00 0.00 0.00 51.96 53.87 1jqb s ALA 2033Cb 0.06 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 1jqb s ALA 2033CO 0.58 -0.31 0.11 0.14 0.00 0.00 0.00 175.76 176.28 1jqb s VAL 2034N 0.32 0.12 -0.13 0.00 -7.23 -0.66 -1.88 120.40 110.93 1jqb s VAL 2034Ca 0.01 -1.99 -0.07 0.00 -1.81 0.00 0.00 61.98 58.12 1jqb s VAL 2034Cb -0.05 -2.45 0.05 0.00 0.56 0.00 0.00 36.38 34.49 1jqb s VAL 2034CO -0.01 -0.07 0.31 -0.55 -0.31 0.00 0.00 175.10 174.46 1jqb s SER 2035N -3.17 -0.36 0.41 4.85 0.15 -0.63 -1.31 113.70 113.65 1jqb s SER 2035Ca 0.37 0.66 -0.24 0.00 0.70 0.00 0.00 55.95 57.43 1jqb s SER 2035Cb 0.07 0.56 -0.08 0.00 -1.71 0.00 0.00 66.02 64.85 1jqb s SER 2035CO 0.11 -0.17 1.10 -2.16 1.20 0.00 0.00 173.24 173.32 1jqb s PRO 2036N 1.18 4.06 0.18 5.44 0.04 -1.26 -4.35 135.00 140.30 1jqb s PRO 2036Ca -0.08 1.64 0.11 0.00 0.04 0.00 0.00 61.00 62.71 1jqb s PRO 2036Cb -0.09 -2.55 -0.04 0.00 0.04 0.00 0.00 34.50 31.86 1jqb s PRO 2036CO -0.09 -0.26 -0.20 0.00 0.04 0.00 0.00 177.00 176.49 1jqb h THR 2038N 3.13 0.39 0.00 0.00 1.35 -1.96 0.26 112.91 116.08 1jqb h THR 2038Ca -0.47 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 65.33 1jqb h THR 2038Cb 1.20 0.97 -0.01 0.00 -1.73 0.00 0.00 68.15 68.59 1jqb h THR 2038CO 0.49 0.00 -0.30 0.77 -0.25 0.00 0.00 175.52 176.23 1jqb h SER 2039N 0.00 0.00 -0.14 5.36 4.64 -1.99 -2.40 113.55 119.02 1jqb h SER 2039Ca 0.01 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.28 1jqb h SER 2039Cb 0.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1jqb h SER 2039CO -0.00 0.30 -0.11 0.44 -0.87 0.00 0.00 176.83 176.59 1jqb h ASP 2040N 0.00 0.34 -0.09 4.97 3.32 -0.87 -2.06 116.42 122.03 1jqb h ASP 2040Ca -0.00 -0.46 -0.03 0.00 0.02 0.00 0.00 57.03 56.56 1jqb h ASP 2040Cb 0.96 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 1jqb h ASP 2040CO 0.04 0.73 -0.00 0.40 -1.72 0.00 0.00 179.24 178.68 1jqb h ILE 2041N -0.04 1.12 0.06 0.35 1.08 -1.39 -2.84 117.51 115.86 1jqb h ILE 2041Ca 0.03 -0.47 -0.25 0.00 -0.39 0.00 0.00 64.86 63.78 1jqb h ILE 2041Cb 0.62 0.99 -0.01 0.00 -3.07 0.00 0.00 36.82 35.35 1jqb h ILE 2041CO 0.03 0.16 -1.17 0.45 -0.69 0.00 0.00 178.15 176.93 1jqb h HIS 2042N 0.26 0.25 -0.23 1.37 3.86 -1.36 -1.49 115.15 117.80 1jqb h HIS 2042Ca 0.06 -0.18 -0.08 0.00 -1.16 0.00 0.00 60.37 59.01 1jqb h HIS 2042Cb 0.19 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 1jqb h HIS 2042CO 0.00 1.15 -0.20 1.15 0.86 0.00 0.00 177.93 180.90 1jqb h THR 2043N 0.04 1.24 0.00 2.45 2.02 -1.14 -1.66 112.91 115.86 1jqb h THR 2043Ca -0.09 -1.11 0.00 0.00 0.77 0.00 0.00 66.41 65.98 1jqb h THR 2043Cb 1.89 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 69.58 1jqb h THR 2043CO 0.16 0.35 -0.03 0.58 0.37 0.00 0.00 175.52 176.95 1jqb h VAL 2044N 0.38 0.00 0.00 3.16 2.07 -1.56 -3.02 116.25 117.28 1jqb h VAL 2044Ca 0.06 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1jqb h VAL 2044Cb 0.56 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1jqb h VAL 2044CO 0.04 0.00 0.00 0.49 0.02 0.00 0.00 177.57 178.12 1jqb n PHE 2045N -2.41 0.00 -0.97 1.57 3.72 -0.56 -3.11 117.46 115.69 1jqb n PHE 2045Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1jqb n PHE 2045Cb 0.02 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 1jqb n PHE 2045CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1jqb n GLU 2046N -0.94 -0.02 -2.68 -1.08 4.71 -0.80 -4.92 120.64 114.92 1jqb n GLU 2046Ca 0.11 -0.01 -0.15 0.00 -0.01 0.00 0.00 57.16 57.11 1jqb n GLU 2046Cb 0.05 -0.50 -0.00 0.00 -1.01 0.00 0.00 31.44 29.97 1jqb n GLU 2046CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1jqb n GLY 2047N 0.00 -0.50 0.00 0.62 0.00 -0.86 -4.76 105.19 99.70 1jqb n GLY 2047Ca 0.00 0.03 0.02 0.00 0.00 0.00 0.00 46.02 46.07 1jqb n GLY 2047CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jqb n ALA 2048N -2.58 1.56 -2.58 4.61 0.00 -0.69 -0.88 120.51 119.94 1jqb n ALA 2048Ca -0.11 -0.02 -0.05 0.00 0.00 0.00 0.00 53.44 53.25 1jqb n ALA 2048Cb 0.59 -1.07 0.04 0.00 0.00 0.00 0.00 19.45 19.02 1jqb n ALA 2048CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1jqb n LEU 2049N -1.10 2.36 0.00 0.00 7.94 -1.26 -4.92 117.00 120.01 1jqb n LEU 2049Ca 0.03 -3.38 0.00 0.00 -1.11 0.00 0.00 56.01 51.54 1jqb n LEU 2049Cb 0.02 0.22 0.00 0.00 0.53 0.00 0.00 43.42 44.19 1jqb n LEU 2049CO 0.03 1.26 0.00 0.61 -1.11 0.00 0.00 177.39 178.18 1jqb n GLY 2050N -0.56 3.23 3.23 -3.96 0.00 -0.06 -4.52 105.19 102.55 1jqb n GLY 2050Ca 0.16 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 1jqb n GLY 2050CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jqb s ASP 2051N -4.00 3.18 -0.13 1.61 2.15 -1.26 -4.62 116.67 113.60 1jqb s ASP 2051Ca 0.00 -0.54 0.02 0.00 0.43 0.00 0.00 52.55 52.46 1jqb s ASP 2051Cb 0.00 -1.43 0.00 0.00 -0.30 0.00 0.00 42.92 41.19 1jqb s ASP 2051CO 0.00 0.15 -0.21 -0.13 -0.17 0.00 0.00 175.17 174.81 1jqb s ARG 2052N 0.39 3.10 -0.32 4.34 1.81 -1.26 -5.09 118.95 121.92 1jqb s ARG 2052Ca -0.17 -0.83 -0.22 0.00 -1.72 0.00 0.00 55.73 52.79 1jqb s ARG 2052Cb -0.18 -2.43 -0.00 0.00 -0.45 0.00 0.00 34.95 31.89 1jqb s ARG 2052CO 0.08 0.09 0.69 0.15 -0.68 0.00 0.00 175.30 175.63 1jqb s LYS 2053N 0.57 3.86 -1.21 3.54 3.01 -1.26 -4.45 119.74 123.80 1jqb s LYS 2053Ca -0.12 0.33 -0.28 0.00 -1.01 0.00 0.00 55.97 54.90 1jqb s LYS 2053Cb -0.17 -3.75 0.03 0.00 -1.01 0.00 0.00 37.83 32.93 1jqb s LYS 2053CO 0.04 -0.67 0.68 0.09 0.51 0.00 0.00 175.35 176.00 1jqb n ASN 2054N 6.07 -4.14 -4.60 2.83 3.02 -1.13 -4.94 115.26 112.38 1jqb n ASN 2054Ca 0.01 -1.20 -0.37 0.00 -0.03 0.00 0.00 54.58 52.98 1jqb n ASN 2054Cb 0.48 -2.25 -0.11 0.00 -0.61 0.00 0.00 39.78 37.30 1jqb n ASN 2054CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1jqb s MET 2055N -6.96 3.95 0.15 3.52 -2.45 -1.23 -4.85 119.30 111.44 1jqb s MET 2055Ca 0.45 -0.32 -0.31 0.00 -1.25 0.00 0.00 55.69 54.26 1jqb s MET 2055Cb -0.22 -3.56 -0.09 0.00 1.25 0.00 0.00 34.83 32.22 1jqb s MET 2055CO 0.94 -0.08 1.41 0.42 1.05 0.00 0.00 175.02 178.76 1jqb s ILE 2056N 1.45 3.10 0.79 10.11 1.01 -1.26 -0.43 121.20 135.97 1jqb s ILE 2056Ca 0.07 0.82 -0.04 0.00 0.00 0.00 0.00 60.65 61.49 1jqb s ILE 2056Cb -0.15 -3.52 0.15 0.00 0.01 0.00 0.00 42.46 38.95 1jqb s ILE 2056CO 0.08 0.08 1.08 -0.76 0.00 0.00 0.00 174.94 175.42 1jqb s LEU 2057N 0.76 2.90 0.00 2.97 1.43 -0.93 0.92 118.68 126.74 1jqb s LEU 2057Ca 0.64 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 1jqb s LEU 2057Cb -0.39 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 43.85 1jqb s LEU 2057CO 0.33 -2.11 0.00 0.61 0.23 0.00 0.00 176.35 175.41 1jqb n GLY 2058N -3.08 0.38 0.47 -3.19 0.00 -1.26 -1.09 105.19 97.43 1jqb n GLY 2058Ca 0.16 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.68 1jqb n GLY 2058CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1jqb n HIS 2059N 0.88 0.00 -3.87 1.61 1.44 -1.26 -1.51 115.22 112.50 1jqb n HIS 2059Ca 0.00 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.41 1jqb n HIS 2059Cb 0.00 0.16 -0.16 0.00 0.12 0.00 0.00 29.99 30.11 1jqb n HIS 2059CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1jqb s GLU 2060N 0.00 1.29 0.04 -1.40 2.02 -1.26 -4.14 118.70 115.24 1jqb s GLU 2060Ca 0.00 -0.93 -0.27 0.00 0.02 0.00 0.00 54.97 53.79 1jqb s GLU 2060Cb 0.00 -2.45 0.09 0.00 0.10 0.00 0.00 34.13 31.88 1jqb s GLU 2060CO 0.00 -0.67 0.82 0.00 0.02 0.00 0.00 175.26 175.43 1jqb s ALA 2061N 1.50 -1.77 0.05 5.21 0.00 -1.26 -1.60 121.76 123.89 1jqb s ALA 2061Ca -0.02 0.87 0.05 0.00 0.00 0.00 0.00 51.96 52.86 1jqb s ALA 2061Cb -0.18 0.53 -0.02 0.00 0.00 0.00 0.00 23.12 23.44 1jqb s ALA 2061CO -0.09 -0.72 -0.15 0.14 0.00 0.00 0.00 175.76 174.95 1jqb s VAL 2062N -3.27 1.17 0.00 0.00 -7.23 -0.79 -2.79 120.40 107.48 1jqb s VAL 2062Ca 0.04 -1.12 0.00 0.00 -1.81 0.00 0.00 61.98 59.09 1jqb s VAL 2062Cb -0.01 -1.07 0.00 0.00 0.56 0.00 0.00 36.38 35.86 1jqb s VAL 2062CO -0.10 -0.06 0.00 0.61 -0.31 0.00 0.00 175.10 175.25 1jqb n GLY 2063N 1.68 2.33 3.31 2.32 0.00 0.12 -1.14 105.19 113.80 1jqb n GLY 2063Ca -0.19 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.71 1jqb n GLY 2063CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jqb s GLU 2064N 0.18 3.28 0.22 1.61 2.12 -0.63 0.57 118.70 126.05 1jqb s GLU 2064Ca 0.00 -0.73 -0.30 0.00 0.36 0.00 0.00 54.97 54.30 1jqb s GLU 2064Cb 0.00 -2.61 -0.09 0.00 0.26 0.00 0.00 34.13 31.69 1jqb s GLU 2064CO 0.00 0.11 1.34 0.08 -0.54 0.00 0.00 175.26 176.25 1jqb s VAL 2065N 0.59 3.03 -0.02 3.70 1.01 0.20 -1.88 120.40 127.03 1jqb s VAL 2065Ca -0.09 0.87 0.02 0.00 0.00 0.00 0.00 61.98 62.78 1jqb s VAL 2065Cb -0.16 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 1jqb s VAL 2065CO 0.03 0.14 0.05 1.33 0.00 0.00 0.00 175.10 176.65 1jqb n VAL 2066N 2.44 0.00 -3.64 2.92 0.24 -0.57 -0.16 118.33 119.56 1jqb n VAL 2066Ca 0.06 -0.13 -0.15 0.00 -2.04 0.00 0.00 64.34 62.07 1jqb n VAL 2066Cb 0.42 0.57 -0.08 0.00 -1.47 0.00 0.00 33.84 33.29 1jqb n VAL 2066CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1jqb s GLU 2067N -1.93 0.82 0.02 7.34 2.12 -1.17 -4.72 118.70 121.18 1jqb s GLU 2067Ca -0.00 0.36 -0.04 0.00 0.36 0.00 0.00 54.97 55.65 1jqb s GLU 2067Cb 0.01 0.39 -0.01 0.00 0.26 0.00 0.00 34.13 34.78 1jqb s GLU 2067CO 0.08 -0.20 0.06 0.14 -0.54 0.00 0.00 175.26 174.80 1jqb s VAL 2068N -0.65 0.11 0.75 3.70 -7.23 -1.26 -0.63 120.40 115.18 1jqb s VAL 2068Ca -0.07 -0.90 -0.11 0.00 -1.81 0.00 0.00 61.98 59.08 1jqb s VAL 2068Cb -0.03 -0.51 0.04 0.00 0.56 0.00 0.00 36.38 36.45 1jqb s VAL 2068CO 0.05 -0.50 1.08 -0.83 -0.31 0.00 0.00 175.10 174.59 1jqb s GLY 2069N -1.63 1.65 0.56 2.32 0.00 0.06 -4.94 107.32 105.34 1jqb s GLY 2069Ca -0.12 -0.04 0.27 0.00 0.00 0.00 0.00 44.72 44.83 1jqb s GLY 2069CO -0.01 0.33 2.02 1.48 0.00 0.00 0.00 173.10 176.91 1jqb h SER 2070N -0.93 0.00 -0.22 1.64 4.64 -1.78 -1.97 113.55 114.93 1jqb h SER 2070Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1jqb h SER 2070Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1jqb h SER 2070CO 0.57 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.91 1jqb n GLU 2071N -4.07 2.19 -2.56 4.77 -0.58 0.40 -4.90 120.64 115.89 1jqb n GLU 2071Ca 0.06 -1.77 -0.42 0.00 -0.42 0.00 0.00 57.16 54.61 1jqb n GLU 2071Cb 0.51 -1.47 -0.03 0.00 -0.57 0.00 0.00 31.44 29.88 1jqb n GLU 2071CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1jqb s VAL 2072N -1.73 4.49 -0.03 2.62 1.01 -0.74 -4.89 120.40 121.14 1jqb s VAL 2072Ca 0.35 1.79 0.08 0.00 0.00 0.00 0.00 61.98 64.20 1jqb s VAL 2072Cb 0.21 -4.15 -0.12 0.00 0.00 0.00 0.00 36.38 32.31 1jqb s VAL 2072CO 0.30 -0.00 0.15 0.29 0.00 0.00 0.00 175.10 175.84 1jqb n LYS 2073N 5.12 0.76 0.00 2.72 5.02 -1.26 -4.73 118.16 125.79 1jqb n LYS 2073Ca 0.10 -0.06 0.09 0.00 -2.02 0.00 0.00 58.31 56.42 1jqb n LYS 2073Cb 0.47 -1.20 -0.09 0.00 -0.02 0.00 0.00 35.03 34.20 1jqb n LYS 2073CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1jqb n ASP 2074N -1.89 1.09 -4.22 4.39 8.00 -1.26 -4.99 116.55 117.67 1jqb n ASP 2074Ca -0.04 -1.04 -0.16 0.00 0.71 0.00 0.00 54.79 54.26 1jqb n ASP 2074Cb 0.33 0.89 -0.11 0.00 -0.02 0.00 0.00 41.12 42.22 1jqb n ASP 2074CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1jqb s PHE 2075N -2.67 1.23 0.20 1.24 0.40 -1.26 -5.06 117.98 112.07 1jqb s PHE 2075Ca 0.09 -0.64 -0.14 0.00 -0.60 0.00 0.00 56.93 55.63 1jqb s PHE 2075Cb 0.15 -0.65 0.01 0.00 0.51 0.00 0.00 43.02 43.04 1jqb s PHE 2075CO 0.72 0.07 0.46 -1.59 0.70 0.00 0.00 175.22 175.58 1jqb s LYS 2076N -2.98 1.39 0.35 0.44 -2.85 -1.26 -4.95 119.74 109.87 1jqb s LYS 2076Ca 0.09 -1.05 -0.28 0.00 -1.00 0.00 0.00 55.97 53.74 1jqb s LYS 2076Cb -0.02 0.48 -0.12 0.00 -2.06 0.00 0.00 37.83 36.10 1jqb s LYS 2076CO 0.01 -0.57 1.36 -2.30 0.10 0.00 0.00 175.35 173.95 1jqb n PRO 2077N -0.32 2.30 0.00 1.78 -0.02 -1.26 -1.81 135.00 135.66 1jqb n PRO 2077Ca -0.07 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1jqb n PRO 2077Cb 0.62 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1jqb n PRO 2077CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jqb n GLY 2078N 0.78 3.33 3.77 -1.23 0.00 0.77 -4.97 105.19 107.64 1jqb n GLY 2078Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1jqb n GLY 2078CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jqb s ASP 2079N -0.34 6.16 -0.19 1.61 1.01 -0.75 -4.74 116.67 119.44 1jqb s ASP 2079Ca 0.00 2.65 -0.09 0.00 0.71 0.00 0.00 52.55 55.82 1jqb s ASP 2079Cb 0.00 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 1jqb s ASP 2079CO 0.00 -0.95 0.10 -0.13 0.21 0.00 0.00 175.17 174.40 1jqb s ARG 2080N -2.37 4.04 0.07 8.23 0.52 -1.26 -0.63 118.95 127.56 1jqb s ARG 2080Ca 0.59 -0.28 0.02 0.00 -0.52 0.00 0.00 55.73 55.55 1jqb s ARG 2080Cb -0.38 -3.30 -0.03 0.00 0.52 0.00 0.00 34.95 31.76 1jqb s ARG 2080CO 0.48 0.31 -0.08 0.14 0.02 0.00 0.00 175.30 176.17 1jqb s VAL 2081N 0.29 0.67 -0.18 3.52 -7.23 0.19 0.08 120.40 117.74 1jqb s VAL 2081Ca 0.06 -1.48 -0.12 0.00 -1.81 0.00 0.00 61.98 58.63 1jqb s VAL 2081Cb -0.12 -1.12 -0.05 0.00 0.56 0.00 0.00 36.38 35.65 1jqb s VAL 2081CO -0.01 -0.58 0.23 -0.63 -0.31 0.00 0.00 175.10 173.79 1jqb s ILE 2082N -2.36 5.34 -0.40 -0.62 1.01 0.18 -0.70 121.20 123.66 1jqb s ILE 2082Ca 0.00 0.39 -0.06 0.00 0.00 0.00 0.00 60.65 60.99 1jqb s ILE 2082Cb -0.03 -3.57 0.09 0.00 0.01 0.00 0.00 42.46 38.96 1jqb s ILE 2082CO -0.02 0.40 0.21 -0.69 0.00 0.00 0.00 174.94 174.84 1jqb s VAL 2083N 0.52 3.72 0.42 2.92 1.01 -1.12 -2.79 120.40 125.08 1jqb s VAL 2083Ca 0.13 -1.64 -0.26 0.00 0.00 0.00 0.00 61.98 60.20 1jqb s VAL 2083Cb -0.12 -3.35 -0.09 0.00 0.00 0.00 0.00 36.38 32.81 1jqb s VAL 2083CO 0.02 -0.52 1.46 -0.81 0.00 0.00 0.00 175.10 175.25 1jqb n PRO 2084N 4.76 2.44 0.27 2.72 -0.04 -1.26 -4.45 135.00 139.43 1jqb n PRO 2084Ca -0.08 0.86 0.12 0.00 -0.04 0.00 0.00 63.50 64.37 1jqb n PRO 2084Cb 0.42 -2.66 0.74 0.00 -0.04 0.00 0.00 33.50 31.96 1jqb n PRO 2084CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jqb s THR 2086N -4.35 5.29 -0.58 0.00 2.01 -1.26 -4.35 115.64 112.39 1jqb s THR 2086Ca -0.03 -0.03 0.04 0.00 0.31 0.00 0.00 61.69 61.98 1jqb s THR 2086Cb 0.14 -3.64 0.17 0.00 0.01 0.00 0.00 72.50 69.17 1jqb s THR 2086CO 0.59 0.10 0.42 0.42 -0.69 0.00 0.00 174.62 175.46 1jqb s THR 2087N 1.75 1.94 0.82 -0.82 -4.23 -0.30 -1.58 115.64 113.23 1jqb s THR 2087Ca 0.07 -3.60 -0.12 0.00 -1.18 0.00 0.00 61.69 56.86 1jqb s THR 2087Cb -0.17 -2.29 0.08 0.00 1.34 0.00 0.00 72.50 71.46 1jqb s THR 2087CO 0.11 -1.07 1.11 -2.16 -0.54 0.00 0.00 174.62 172.06 1jqb s PRO 2088N -0.80 1.92 -0.32 3.99 0.04 -1.23 -4.79 135.00 133.81 1jqb s PRO 2088Ca 0.27 0.56 -0.24 0.00 0.04 0.00 0.00 61.00 61.63 1jqb s PRO 2088Cb -0.04 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1jqb s PRO 2088CO -0.16 -1.72 0.82 -0.51 0.04 0.00 0.00 177.00 175.47 1jqb s ASP 2089N -3.95 6.67 0.38 6.66 1.01 -1.26 -4.92 116.67 121.27 1jqb s ASP 2089Ca 0.61 0.66 0.27 0.00 0.71 0.00 0.00 52.55 54.80 1jqb s ASP 2089Cb -0.14 -2.42 0.85 0.00 1.01 0.00 0.00 42.92 42.22 1jqb s ASP 2089CO 0.54 -0.66 1.77 -0.50 0.21 0.00 0.00 175.17 176.53 1jqb h TRP 2090N 8.17 0.00 -3.04 4.23 4.06 -1.96 -3.38 115.95 124.03 1jqb h TRP 2090Ca -0.24 0.00 -0.76 0.00 2.06 0.00 0.00 58.89 59.95 1jqb h TRP 2090Cb 1.09 0.00 -0.23 0.00 -1.00 0.00 0.00 29.16 29.02 1jqb h TRP 2090CO 0.79 0.00 0.69 1.03 -3.56 0.00 0.00 178.44 177.39 1jqb s ARG 2091N -3.33 3.95 0.14 0.49 0.52 -1.26 -4.83 118.95 114.64 1jqb s ARG 2091Ca 0.06 -2.65 -0.19 0.00 -0.52 0.00 0.00 55.73 52.42 1jqb s ARG 2091Cb 0.09 -4.73 0.05 0.00 0.52 0.00 0.00 34.95 30.88 1jqb s ARG 2091CO 0.56 -1.48 0.49 -1.54 0.02 0.00 0.00 175.30 173.36 1jqb s SER 2092N 2.28 -0.38 0.32 0.23 1.04 -1.26 -5.01 113.70 110.92 1jqb s SER 2092Ca 0.32 -0.19 0.14 0.00 0.48 0.00 0.00 55.95 56.70 1jqb s SER 2092Cb -0.07 0.53 0.51 0.00 0.10 0.00 0.00 66.02 67.10 1jqb s SER 2092CO -0.06 -0.92 1.68 -0.07 0.98 0.00 0.00 173.24 174.85 1jqb h LEU 2093N 2.20 0.00 -1.04 2.42 3.38 -1.96 -2.35 115.31 117.96 1jqb h LEU 2093Ca -0.34 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 1jqb h LEU 2093Cb 1.28 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 1jqb h LEU 2093CO 0.42 0.50 0.31 -0.33 0.09 0.00 0.00 178.44 179.43 1jqb h GLU 2094N 0.00 0.98 -0.33 1.13 3.07 -1.88 0.32 114.58 117.88 1jqb h GLU 2094Ca -0.01 -0.14 -0.07 0.00 -0.50 0.00 0.00 59.36 58.64 1jqb h GLU 2094Cb 0.98 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.70 1jqb h GLU 2094CO 0.07 0.78 -0.09 0.28 -1.40 0.00 0.00 179.01 178.65 1jqb h VAL 2095N 0.98 1.28 0.00 3.13 2.07 -1.67 0.53 116.25 122.57 1jqb h VAL 2095Ca 0.23 -1.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 1jqb h VAL 2095Cb 0.14 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1jqb h VAL 2095CO -0.03 0.37 -0.12 1.56 0.02 0.00 0.00 177.57 179.37 1jqb h GLN 2096N 0.42 0.00 -0.00 1.57 4.20 -0.83 -1.43 115.11 119.03 1jqb h GLN 2096Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1jqb h GLN 2096Cb 0.59 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.37 1jqb h GLN 2096CO 0.03 0.12 -0.08 0.00 -0.67 0.00 0.00 178.83 178.23 1jqb n ALA 2097N -2.44 2.73 0.00 3.87 0.00 0.11 -4.93 120.51 119.84 1jqb n ALA 2097Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1jqb n ALA 2097Cb 0.20 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1jqb n ALA 2097CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jqb n GLY 2098N 1.23 1.00 2.62 0.00 0.00 -0.54 -5.05 105.19 104.46 1jqb n GLY 2098Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 1jqb n GLY 2098CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jqb s PHE 2099N -2.00 2.21 0.35 1.61 0.08 0.08 -4.95 117.98 115.36 1jqb s PHE 2099Ca 0.00 -2.78 0.07 0.00 0.12 0.00 0.00 56.93 54.34 1jqb s PHE 2099Cb 0.00 -1.73 0.76 0.00 -0.57 0.00 0.00 43.02 41.48 1jqb s PHE 2099CO 0.00 -0.70 1.90 -0.56 -0.10 0.00 0.00 175.22 175.76 1jqb h GLN 2100N 5.54 0.73 -0.10 0.44 3.07 -1.87 -2.16 115.11 120.76 1jqb h GLN 2100Ca 0.21 -0.04 0.03 0.00 0.09 0.00 0.00 58.65 58.94 1jqb h GLN 2100Cb 0.84 -0.17 -0.00 0.00 0.08 0.00 0.00 27.48 28.23 1jqb h GLN 2100CO 0.53 0.49 0.12 1.96 0.09 0.00 0.00 178.83 182.01 1jqb h GLN 2101N 0.76 0.00 -0.26 0.06 7.50 -1.92 -2.33 115.11 118.91 1jqb h GLN 2101Ca 0.41 0.00 -0.11 0.00 0.50 0.00 0.00 58.65 59.45 1jqb h GLN 2101Cb 0.54 0.00 -0.07 0.00 0.05 0.00 0.00 27.48 28.00 1jqb h GLN 2101CO -0.17 0.00 -0.11 0.72 -1.50 0.00 0.00 178.83 177.76 1jqb n HIS 2102N -3.81 0.83 -1.75 2.96 8.25 -0.81 -0.72 115.22 120.17 1jqb n HIS 2102Ca -0.00 -1.41 -0.42 0.00 -0.26 0.00 0.00 57.72 55.62 1jqb n HIS 2102Cb 0.22 -0.40 -0.03 0.00 1.12 0.00 0.00 29.99 30.90 1jqb n HIS 2102CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1jqb s SER 2103N -2.55 6.48 -1.40 0.41 0.15 -0.88 -1.35 113.70 114.56 1jqb s SER 2103Ca 0.42 2.62 0.00 0.00 0.70 0.00 0.00 55.95 59.70 1jqb s SER 2103Cb 0.38 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 1jqb s SER 2103CO 0.01 -1.01 0.00 0.59 1.20 0.00 0.00 173.24 174.02 1jqb n ASN 2104N 6.88 -4.60 0.00 5.45 3.02 -1.26 -4.33 115.26 120.42 1jqb n ASN 2104Ca 0.19 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.90 1jqb n ASN 2104Cb 0.41 -3.58 0.00 0.00 -0.61 0.00 0.00 39.78 35.99 1jqb n ASN 2104CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jqb n GLY 2105N -1.09 4.45 3.68 7.41 0.00 -0.46 -4.88 105.19 114.29 1jqb n GLY 2105Ca -0.16 -1.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.01 1jqb n GLY 2105CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1jqb n MET 2106N -1.93 2.72 -1.46 1.61 1.56 -1.26 -1.33 117.12 117.03 1jqb n MET 2106Ca 0.00 0.99 -0.16 0.00 -0.27 0.00 0.00 57.70 58.26 1jqb n MET 2106Cb 0.00 -2.90 -0.07 0.00 2.15 0.00 0.00 33.22 32.40 1jqb n MET 2106CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 1jqb n LEU 2107N 6.47 -1.10 0.08 -0.89 4.32 -1.25 -4.84 117.00 119.79 1jqb n LEU 2107Ca 0.19 0.40 0.11 0.00 -0.02 0.00 0.00 56.01 56.70 1jqb n LEU 2107Cb 0.37 -2.53 0.44 0.00 -1.62 0.00 0.00 43.42 40.08 1jqb n LEU 2107CO 0.68 -0.94 0.83 0.00 -1.22 0.00 0.00 177.39 176.73 1jqb n ALA 2108N 1.05 1.74 0.24 -1.18 0.00 -0.44 -2.19 120.51 119.73 1jqb n ALA 2108Ca -0.16 0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.42 1jqb n ALA 2108Cb 0.58 -1.35 0.58 0.00 0.00 0.00 0.00 19.45 19.26 1jqb n ALA 2108CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1jqb h GLY 2109N 2.63 0.00 -7.19 0.00 0.00 -1.12 -3.38 103.07 94.01 1jqb h GLY 2109Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 1jqb h GLY 2109CO 0.00 0.00 0.22 0.86 0.00 0.00 0.00 176.54 177.62 1jqb s TRP 2110N -3.85 2.94 -0.24 5.60 -0.00 -0.93 -1.14 118.94 121.31 1jqb s TRP 2110Ca -0.01 -0.52 -0.10 0.00 -0.00 0.00 0.00 56.10 55.47 1jqb s TRP 2110Cb 0.11 -3.83 -0.11 0.00 -0.00 0.00 0.00 33.47 29.64 1jqb s TRP 2110CO 0.61 -1.22 -0.29 1.63 -0.00 0.00 0.00 176.95 177.67 1jqb n LYS 2111N 6.65 0.52 -1.66 5.86 5.02 -1.26 -4.76 118.16 128.53 1jqb n LYS 2111Ca -0.05 0.21 -0.57 0.00 -2.02 0.00 0.00 58.31 55.88 1jqb n LYS 2111Cb 0.45 -1.37 -0.07 0.00 -0.02 0.00 0.00 35.03 34.01 1jqb n LYS 2111CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1jqb n PHE 2112N -3.93 1.96 -3.56 2.13 3.72 -1.26 -1.20 117.46 115.32 1jqb n PHE 2112Ca -0.46 0.52 -0.22 0.00 -0.05 0.00 0.00 57.45 57.23 1jqb n PHE 2112Cb 0.85 -2.46 0.08 0.00 -0.94 0.00 0.00 39.48 37.01 1jqb n PHE 2112CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1jqb n SER 2113N 6.06 -5.16 0.00 4.37 3.41 0.21 -4.69 113.62 117.82 1jqb n SER 2113Ca 0.30 -0.57 0.00 0.00 -0.26 0.00 0.00 58.87 58.34 1jqb n SER 2113Cb 0.13 -5.04 0.00 0.00 -0.26 0.00 0.00 64.21 59.04 1jqb n SER 2113CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1jqb n ASN 2114N -3.05 0.33 -0.35 4.04 5.15 -0.34 -4.91 115.26 116.14 1jqb n ASN 2114Ca -0.07 0.00 -0.00 0.00 -0.60 0.00 0.00 54.58 53.90 1jqb n ASN 2114Cb 0.59 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.84 1jqb n ASN 2114CO 0.00 0.00 0.00 2.22 1.40 0.00 0.00 177.26 180.88 1jqb n PHE 2115N -1.58 0.00 -3.70 1.20 1.16 -1.11 -5.09 117.46 108.34 1jqb n PHE 2115Ca 0.00 -0.03 -0.12 0.00 -1.87 0.00 0.00 57.45 55.43 1jqb n PHE 2115Cb 0.04 0.23 -0.10 0.00 -1.61 0.00 0.00 39.48 38.04 1jqb n PHE 2115CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 1jqb s LYS 2116N 0.00 0.50 0.38 3.97 2.20 -1.13 -5.04 119.74 120.61 1jqb s LYS 2116Ca 0.00 0.74 -0.25 0.00 -0.36 0.00 0.00 55.97 56.10 1jqb s LYS 2116Cb 0.00 0.14 -0.12 0.00 -1.51 0.00 0.00 37.83 36.35 1jqb s LYS 2116CO 0.00 -0.11 0.99 -0.25 -0.36 0.00 0.00 175.35 175.62 1jqb n ASP 2117N 3.48 1.18 -2.25 1.43 8.00 -1.26 0.66 116.55 127.80 1jqb n ASP 2117Ca -0.18 1.07 0.00 0.00 0.71 0.00 0.00 54.79 56.40 1jqb n ASP 2117Cb 0.56 -1.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.34 1jqb n ASP 2117CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jqb n GLY 2118N 1.22 -0.74 0.37 0.44 0.00 0.26 -4.17 105.19 102.58 1jqb n GLY 2118Ca 0.09 -1.70 0.14 0.00 0.00 0.00 0.00 46.02 44.55 1jqb n GLY 2118CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1jqb n VAL 2119N -1.27 0.00 -1.47 1.61 0.24 -0.57 -4.42 118.33 112.46 1jqb n VAL 2119Ca 0.00 -0.20 -0.33 0.00 -2.04 0.00 0.00 64.34 61.78 1jqb n VAL 2119Cb 0.00 0.45 -0.05 0.00 -1.47 0.00 0.00 33.84 32.76 1jqb n VAL 2119CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1jqb n PHE 2120N -0.19 1.93 -3.89 6.34 3.72 -0.25 -4.78 117.46 120.34 1jqb n PHE 2120Ca 0.16 -2.59 -0.09 0.00 -0.05 0.00 0.00 57.45 54.87 1jqb n PHE 2120Cb 0.35 -2.02 -0.07 0.00 -0.94 0.00 0.00 39.48 36.80 1jqb n PHE 2120CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1jqb s GLY 2121N 1.42 0.23 0.48 1.37 0.00 -1.26 -1.62 107.32 107.94 1jqb s GLY 2121Ca 0.64 -0.70 0.18 0.00 0.00 0.00 0.00 44.72 44.84 1jqb s GLY 2121CO -0.08 -0.79 2.02 0.83 0.00 0.00 0.00 173.10 175.08 1jqb h GLU 2122N 2.64 0.20 -3.69 2.90 5.08 -1.75 -3.40 114.58 116.56 1jqb h GLU 2122Ca -0.33 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 57.89 1jqb h GLU 2122Cb 1.21 -0.04 -0.18 0.00 0.50 0.00 0.00 28.75 30.24 1jqb h GLU 2122CO 0.52 0.13 -0.49 0.71 -1.00 0.00 0.00 179.01 178.88 1jqb s TYR 2123N -5.21 0.13 0.06 4.33 2.02 -1.26 -4.10 117.35 113.32 1jqb s TYR 2123Ca -0.06 -0.37 -0.08 0.00 -0.37 0.00 0.00 57.07 56.19 1jqb s TYR 2123Cb 0.19 -0.10 -0.00 0.00 -0.40 0.00 0.00 41.96 41.65 1jqb s TYR 2123CO 0.73 -0.35 0.17 -0.59 -1.57 0.00 0.00 175.55 173.93 1jqb s PHE 2124N -2.27 0.14 -0.09 2.71 -0.12 0.11 -4.91 117.98 113.55 1jqb s PHE 2124Ca -0.08 -0.48 -0.15 0.00 -0.05 0.00 0.00 56.93 56.17 1jqb s PHE 2124Cb -0.03 -0.07 -0.05 0.00 -0.63 0.00 0.00 43.02 42.24 1jqb s PHE 2124CO -0.03 -0.47 0.38 -1.58 -0.05 0.00 0.00 175.22 173.47 1jqb s HIS 2125N -3.23 3.58 -0.20 3.49 5.65 -1.26 -0.57 115.29 122.75 1jqb s HIS 2125Ca 0.00 0.81 0.01 0.00 0.25 0.00 0.00 55.06 56.14 1jqb s HIS 2125Cb 0.02 -2.36 0.03 0.00 -1.18 0.00 0.00 32.58 29.10 1jqb s HIS 2125CO -0.08 0.39 -0.15 0.08 -0.65 0.00 0.00 174.74 174.34 1jqb s VAL 2126N -0.13 1.91 0.28 0.89 1.01 -0.22 -4.98 120.40 119.17 1jqb s VAL 2126Ca 0.22 -1.07 -0.29 0.00 0.00 0.00 0.00 61.98 60.84 1jqb s VAL 2126Cb -0.15 -1.86 -0.10 0.00 0.00 0.00 0.00 36.38 34.27 1jqb s VAL 2126CO 0.09 0.31 1.09 0.54 0.00 0.00 0.00 175.10 177.14 1jqb s ASN 2127N 1.30 7.28 -0.61 3.32 4.22 -1.26 -1.69 114.94 127.51 1jqb s ASN 2127Ca 0.00 2.26 -0.17 0.00 -2.14 0.00 0.00 52.86 52.81 1jqb s ASN 2127Cb -0.15 -2.63 0.02 0.00 1.28 0.00 0.00 41.25 39.78 1jqb s ASN 2127CO -0.10 -0.13 0.64 -0.67 -2.04 0.00 0.00 177.10 174.80 1jqb n ASP 2128N 1.19 -6.13 -0.18 3.54 -0.08 -1.13 -4.57 116.55 109.20 1jqb n ASP 2128Ca -0.01 -0.26 -0.01 0.00 -1.51 0.00 0.00 54.79 53.00 1jqb n ASP 2128Cb 0.45 -2.94 0.09 0.00 2.34 0.00 0.00 41.12 41.06 1jqb n ASP 2128CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jqb h ALA 2129N 1.57 0.70 0.00 -1.67 0.00 -1.11 -1.16 119.26 117.60 1jqb h ALA 2129Ca -0.39 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1jqb h ALA 2129Cb 1.27 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1jqb h ALA 2129CO 0.28 -0.22 -0.04 -0.44 0.00 0.00 0.00 179.25 178.83 1jqb h ASP 2130N 0.37 0.00 0.01 0.00 3.32 -1.90 -2.61 116.42 115.61 1jqb h ASP 2130Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1jqb h ASP 2130Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1jqb h ASP 2130CO -0.29 0.04 -1.76 0.23 -1.72 0.00 0.00 179.24 175.74 1jqb n MET 2131N -4.12 0.51 -0.06 3.56 2.81 -0.86 -4.61 117.12 114.34 1jqb n MET 2131Ca -0.03 -0.15 0.04 0.00 -1.81 0.00 0.00 57.70 55.75 1jqb n MET 2131Cb 0.13 -1.52 0.07 0.00 -0.71 0.00 0.00 33.22 31.19 1jqb n MET 2131CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1jqb n ASN 2132N -2.09 2.28 -4.33 7.83 3.02 -0.49 0.22 115.26 121.70 1jqb n ASN 2132Ca -0.02 -2.36 -0.19 0.00 -0.03 0.00 0.00 54.58 51.98 1jqb n ASN 2132Cb 0.51 -0.17 -0.10 0.00 -0.61 0.00 0.00 39.78 39.41 1jqb n ASN 2132CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1jqb s LEU 2133N -1.63 2.51 -0.03 3.41 1.43 -1.00 -4.36 118.68 119.03 1jqb s LEU 2133Ca 0.13 -0.96 -0.01 0.00 -1.03 0.00 0.00 54.13 52.26 1jqb s LEU 2133Cb 0.11 -0.70 0.02 0.00 0.03 0.00 0.00 46.19 45.65 1jqb s LEU 2133CO 0.03 -0.14 0.06 0.00 0.23 0.00 0.00 176.35 176.53 1jqb s ALA 2134N -2.68 -0.09 0.30 4.21 0.00 -1.12 -4.48 121.76 117.90 1jqb s ALA 2134Ca 0.20 0.28 -0.30 0.00 0.00 0.00 0.00 51.96 52.14 1jqb s ALA 2134Cb -0.02 -0.19 -0.11 0.00 0.00 0.00 0.00 23.12 22.80 1jqb s ALA 2134CO 0.06 -0.07 1.52 0.42 0.00 0.00 0.00 175.76 177.69 1jqb s ILE 2135N 0.52 2.26 -0.24 0.00 -1.09 -1.26 0.51 121.20 121.90 1jqb s ILE 2135Ca -0.04 0.23 -0.27 0.00 -2.23 0.00 0.00 60.65 58.34 1jqb s ILE 2135Cb -0.06 -3.15 0.00 0.00 -1.58 0.00 0.00 42.46 37.68 1jqb s ILE 2135CO -0.02 0.04 0.92 -0.22 -1.23 0.00 0.00 174.94 174.44 1jqb s LEU 2136N -0.79 4.08 0.40 2.97 2.96 0.11 -4.63 118.68 123.78 1jqb s LEU 2136Ca 0.60 1.16 -0.26 0.00 -0.22 0.00 0.00 54.13 55.41 1jqb s LEU 2136Cb -0.45 -3.34 -0.11 0.00 0.50 0.00 0.00 46.19 42.78 1jqb s LEU 2136CO 0.49 -0.60 1.12 -2.65 -1.32 0.00 0.00 176.35 173.40 1jqb n PRO 2137N 6.18 1.62 -0.09 0.98 -0.02 -1.26 -4.84 135.00 137.57 1jqb n PRO 2137Ca 0.08 0.58 -0.14 0.00 -2.02 0.00 0.00 63.50 62.00 1jqb n PRO 2137Cb 0.47 -2.16 -0.10 0.00 -0.02 0.00 0.00 33.50 31.69 1jqb n PRO 2137CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1jqb h LYS 2138N 1.88 -0.45 -0.94 -0.52 3.64 -1.99 -2.87 116.57 115.34 1jqb h LYS 2138Ca -0.45 0.03 -0.31 0.00 -1.27 0.00 0.00 60.65 58.65 1jqb h LYS 2138Cb 1.32 0.10 -0.19 0.00 -0.41 0.00 0.00 32.23 33.05 1jqb h LYS 2138CO 0.59 -0.30 0.40 -0.25 -2.27 0.00 0.00 179.45 177.62 1jqb n ASP 2139N -5.40 3.78 -4.63 4.20 8.00 -1.26 -4.91 116.55 116.33 1jqb n ASP 2139Ca -0.04 -3.12 -0.40 0.00 0.71 0.00 0.00 54.79 51.94 1jqb n ASP 2139Cb 0.36 -0.73 -0.07 0.00 -0.02 0.00 0.00 41.12 40.65 1jqb n ASP 2139CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1jqb s MET 2140N -2.47 4.12 0.26 -1.24 1.75 -1.08 -5.02 119.30 115.62 1jqb s MET 2140Ca 0.43 0.42 -0.30 0.00 -1.25 0.00 0.00 55.69 54.99 1jqb s MET 2140Cb 0.35 -3.62 -0.13 0.00 2.84 0.00 0.00 34.83 34.27 1jqb s MET 2140CO 0.09 -0.31 1.39 -2.30 -0.65 0.00 0.00 175.02 173.24 1jqb n PRO 2141N 5.37 2.09 -0.13 4.11 -0.02 -1.26 -4.86 135.00 140.30 1jqb n PRO 2141Ca -0.03 0.74 0.02 0.00 -2.02 0.00 0.00 63.50 62.21 1jqb n PRO 2141Cb 0.50 -2.39 0.32 0.00 -0.02 0.00 0.00 33.50 31.91 1jqb n PRO 2141CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1jqb h LEU 2142N 3.89 0.70 -0.60 2.45 3.38 -1.98 -2.39 115.31 120.78 1jqb h LEU 2142Ca -0.45 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 1jqb h LEU 2142Cb 1.27 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 1jqb h LEU 2142CO 0.73 0.51 0.23 -0.33 0.09 0.00 0.00 178.44 179.66 1jqb h GLU 2143N 0.83 0.90 -0.40 1.13 3.07 -1.99 -2.14 114.58 115.99 1jqb h GLU 2143Ca 0.23 -0.17 -0.09 0.00 -0.50 0.00 0.00 59.36 58.83 1jqb h GLU 2143Cb -0.07 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.68 1jqb h GLU 2143CO -0.05 0.78 -0.09 -0.91 -1.40 0.00 0.00 179.01 177.33 1jqb h ASN 2144N 0.83 0.77 -0.95 1.42 2.35 -1.82 -3.07 115.58 115.12 1jqb h ASN 2144Ca 0.20 -0.36 0.06 0.00 -0.55 0.00 0.00 56.30 55.64 1jqb h ASN 2144Cb 0.23 -0.21 -0.06 0.00 0.05 0.00 0.00 38.32 38.32 1jqb h ASN 2144CO -0.01 0.96 0.61 0.00 -1.65 0.00 0.00 177.43 177.33 1jqb h ALA 2145N 0.84 1.29 -0.04 -0.83 0.00 -1.24 -1.53 119.26 117.76 1jqb h ALA 2145Ca 0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1jqb h ALA 2145Cb 0.62 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1jqb h ALA 2145CO 0.04 0.41 -0.13 0.28 0.00 0.00 0.00 179.25 179.85 1jqb h VAL 2146N 1.13 1.12 0.00 0.00 2.07 -1.29 -1.55 116.25 117.72 1jqb h VAL 2146Ca 0.40 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1jqb h VAL 2146Cb 0.12 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1jqb h VAL 2146CO -0.16 0.16 0.00 0.24 0.02 0.00 0.00 177.57 177.83 1jqb h MET 2147N 0.05 0.00 -0.09 1.57 2.07 -1.24 -2.77 114.93 114.52 1jqb h MET 2147Ca 0.01 0.00 -0.19 0.00 -2.07 0.00 0.00 59.70 57.45 1jqb h MET 2147Cb 0.26 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 30.00 1jqb h MET 2147CO 0.02 0.00 -0.68 0.82 1.07 0.00 0.00 176.91 178.14 1jqb h ILE 2148N 0.00 1.33 -0.78 -1.22 2.04 -1.31 -0.84 117.51 116.73 1jqb h ILE 2148Ca 0.00 -1.96 0.23 0.00 1.00 0.00 0.00 64.86 64.13 1jqb h ILE 2148Cb 0.25 2.20 -0.03 0.00 -0.74 0.00 0.00 36.82 38.49 1jqb h ILE 2148CO 0.00 0.60 0.58 0.71 0.00 0.00 0.00 178.15 180.04 1jqb h THR 2149N 0.27 0.55 0.00 -0.27 1.35 -1.59 -3.24 112.91 109.98 1jqb h THR 2149Ca -0.06 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 1jqb h THR 2149Cb 1.32 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 1jqb h THR 2149CO 0.14 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 174.74 1jqb n ASP 2150N -4.21 -0.05 -0.02 5.36 4.64 -1.25 -1.26 116.55 119.76 1jqb n ASP 2150Ca 0.16 0.02 -0.09 0.00 -1.38 0.00 0.00 54.79 53.50 1jqb n ASP 2150Cb 0.87 0.19 -0.04 0.00 -1.04 0.00 0.00 41.12 41.11 1jqb n ASP 2150CO 0.00 0.00 0.00 0.24 -0.82 0.00 0.00 177.20 176.62 1jqb h MET 2151N 0.00 0.03 0.02 -0.67 2.86 -1.74 0.01 114.93 115.43 1jqb h MET 2151Ca 0.00 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1jqb h MET 2151Cb 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1jqb h MET 2151CO 0.00 0.02 -0.01 1.98 1.06 0.00 0.00 176.91 179.96 1jqb h MET 2152N 0.03 -0.02 -0.45 1.72 1.85 -1.31 -1.09 114.93 115.65 1jqb h MET 2152Ca 0.07 0.00 -0.03 0.00 -0.61 0.00 0.00 59.70 59.13 1jqb h MET 2152Cb 0.10 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.11 1jqb h MET 2152CO -0.14 0.36 0.14 0.00 -0.40 0.00 0.00 176.91 176.87 1jqb h THR 2153N -0.41 1.19 0.01 -0.77 1.03 -1.57 0.69 112.91 113.08 1jqb h THR 2153Ca -0.00 -0.65 -0.00 0.00 -0.01 0.00 0.00 66.41 65.75 1jqb h THR 2153Cb 0.39 0.70 0.00 0.00 -1.07 0.00 0.00 68.15 68.17 1jqb h THR 2153CO 0.00 0.24 -0.00 0.74 -0.01 0.00 0.00 175.52 176.49 1jqb h THR 2154N 0.65 1.53 -0.63 0.00 2.02 -0.99 -1.50 112.91 113.99 1jqb h THR 2154Ca 0.15 -1.69 0.00 0.00 0.77 0.00 0.00 66.41 65.65 1jqb h THR 2154Cb 0.21 2.67 -0.03 0.00 -1.74 0.00 0.00 68.15 69.25 1jqb h THR 2154CO -0.01 0.43 0.41 1.23 0.37 0.00 0.00 175.52 177.96 1jqb h GLY 2155N -0.74 0.90 1.51 2.16 0.00 -1.13 -1.41 103.07 104.35 1jqb h GLY 2155Ca -0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 47.33 46.90 1jqb h GLY 2155CO 0.00 0.34 -0.17 0.74 0.00 0.00 0.00 176.54 177.45 1jqb h PHE 2156N 0.86 0.64 -0.04 5.60 -1.00 -0.94 -2.19 116.94 119.88 1jqb h PHE 2156Ca 0.23 -0.12 -0.05 0.00 2.81 0.00 0.00 57.97 60.84 1jqb h PHE 2156Cb -0.09 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 39.30 1jqb h PHE 2156CO -0.03 0.72 -0.22 1.25 -1.61 0.00 0.00 178.31 178.42 1jqb h HIS 2157N 0.53 0.06 -0.53 -0.55 2.76 -0.62 0.93 115.15 117.73 1jqb h HIS 2157Ca 0.09 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.18 1jqb h HIS 2157Cb 0.59 -0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.51 1jqb h HIS 2157CO 0.02 0.28 0.07 0.78 -1.30 0.00 0.00 177.93 177.78 1jqb h GLY 2158N 0.73 0.95 1.48 5.26 0.00 -0.64 0.01 103.07 110.86 1jqb h GLY 2158Ca 0.01 -0.65 -0.11 0.00 0.00 0.00 0.00 47.33 46.58 1jqb h GLY 2158CO 0.03 0.60 -0.29 0.00 0.00 0.00 0.00 176.54 176.88 1jqb h ALA 2159N 0.98 0.95 -0.08 3.60 0.00 -1.06 -2.14 119.26 121.50 1jqb h ALA 2159Ca 0.16 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1jqb h ALA 2159Cb 0.43 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1jqb h ALA 2159CO 0.01 0.61 -0.02 0.93 0.00 0.00 0.00 179.25 180.78 1jqb h GLU 2160N 0.51 0.16 -0.11 0.00 5.08 -0.56 -3.02 114.58 116.64 1jqb h GLU 2160Ca 0.06 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1jqb h GLU 2160Cb 0.76 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1jqb h GLU 2160CO 0.06 0.49 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.48 1jqb h LEU 2161N -0.18 0.14 -1.35 1.33 3.38 -0.96 -1.47 115.31 116.20 1jqb h LEU 2161Ca 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1jqb h LEU 2161Cb 0.44 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1jqb h LEU 2161CO 0.01 0.19 0.00 0.00 0.09 0.00 0.00 178.44 178.72 1jqb h ALA 2162N 1.84 1.00 -6.34 1.53 0.00 -1.25 -3.47 119.26 112.56 1jqb h ALA 2162Ca 0.04 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.49 1jqb h ALA 2162Cb 0.13 0.00 0.05 0.00 0.00 0.00 0.00 17.79 17.98 1jqb h ALA 2162CO 0.00 0.00 -0.94 -3.47 0.00 0.00 0.00 179.25 174.84 1jqb n ASP 2163N -2.56 -4.38 -4.77 0.00 -0.08 -0.55 -4.80 116.55 99.41 1jqb n ASP 2163Ca 0.00 -1.05 -0.40 0.00 -1.51 0.00 0.00 54.79 51.84 1jqb n ASP 2163Cb 0.18 -3.15 -0.03 0.00 2.34 0.00 0.00 41.12 40.46 1jqb n ASP 2163CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1jqb s ILE 2164N -3.55 3.08 0.27 5.18 1.01 -1.26 -5.05 121.20 120.88 1jqb s ILE 2164Ca 0.40 1.05 0.08 0.00 0.00 0.00 0.00 60.65 62.18 1jqb s ILE 2164Cb -0.15 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 1jqb s ILE 2164CO 0.88 0.23 0.16 -1.61 0.00 0.00 0.00 174.94 174.59 1jqb s GLU 2165N -1.76 2.75 -0.00 2.79 2.02 -1.26 -4.93 118.70 118.31 1jqb s GLU 2165Ca 0.49 -1.17 -0.30 0.00 0.02 0.00 0.00 54.97 54.01 1jqb s GLU 2165Cb -0.35 -2.45 -0.07 0.00 0.10 0.00 0.00 34.13 31.35 1jqb s GLU 2165CO 0.46 0.36 1.81 -1.64 0.02 0.00 0.00 175.26 176.27 1jqb s MET 2166N -3.82 4.16 0.00 1.61 -1.94 -1.26 -1.41 119.30 116.64 1jqb s MET 2166Ca 0.33 2.41 0.00 0.00 -1.71 0.00 0.00 55.69 56.72 1jqb s MET 2166Cb -0.07 -4.05 0.00 0.00 2.01 0.00 0.00 34.83 32.72 1jqb s MET 2166CO 0.24 -0.90 0.00 0.41 -0.01 0.00 0.00 175.02 174.76 1jqb n GLY 2167N 4.33 0.79 3.74 -0.03 0.00 -0.02 -4.94 105.19 109.06 1jqb n GLY 2167Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1jqb n GLY 2167CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jqb s SER 2168N -3.00 5.07 -0.08 1.61 0.01 -0.50 -3.98 113.70 112.84 1jqb s SER 2168Ca 0.00 2.76 -0.15 0.00 1.31 0.00 0.00 55.95 59.87 1jqb s SER 2168Cb 0.00 -2.63 -0.05 0.00 0.21 0.00 0.00 66.02 63.55 1jqb s SER 2168CO 0.00 -1.70 0.40 -0.94 0.41 0.00 0.00 173.24 171.40 1jqb s SER 2169N -1.02 6.68 -0.02 2.44 1.04 -1.26 -0.60 113.70 120.96 1jqb s SER 2169Ca 0.74 0.80 0.03 0.00 0.48 0.00 0.00 55.95 58.01 1jqb s SER 2169Cb -0.41 -2.24 -0.00 0.00 0.10 0.00 0.00 66.02 63.47 1jqb s SER 2169CO 0.47 0.18 -0.11 -0.69 0.98 0.00 0.00 173.24 174.07 1jqb s VAL 2170N -0.20 0.89 -0.14 5.02 1.01 0.10 -1.87 120.40 125.22 1jqb s VAL 2170Ca 0.23 -0.45 -0.00 0.00 0.00 0.00 0.00 61.98 61.75 1jqb s VAL 2170Cb -0.15 -0.77 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 1jqb s VAL 2170CO 0.10 0.26 -0.13 -0.69 0.00 0.00 0.00 175.10 174.65 1jqb s VAL 2171N -0.03 3.01 -0.28 2.92 1.01 -0.62 -0.23 120.40 126.19 1jqb s VAL 2171Ca 0.00 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 1jqb s VAL 2171Cb -0.07 -2.27 0.03 0.00 0.00 0.00 0.00 36.38 34.07 1jqb s VAL 2171CO 0.00 0.52 -0.01 -0.69 0.00 0.00 0.00 175.10 174.91 1jqb s VAL 2172N 0.50 3.10 -0.43 2.92 1.01 0.11 -0.09 120.40 127.51 1jqb s VAL 2172Ca -0.09 -1.11 -0.22 0.00 0.00 0.00 0.00 61.98 60.56 1jqb s VAL 2172Cb -0.16 -2.66 0.02 0.00 0.00 0.00 0.00 36.38 33.59 1jqb s VAL 2172CO 0.04 0.06 0.73 -0.63 0.00 0.00 0.00 175.10 175.30 1jqb s ILE 2173N 1.33 4.73 0.00 2.22 1.01 -0.00 -1.16 121.20 129.32 1jqb s ILE 2173Ca -0.02 0.36 0.00 0.00 0.00 0.00 0.00 60.65 61.00 1jqb s ILE 2173Cb -0.18 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 38.03 1jqb s ILE 2173CO -0.02 -0.63 0.00 0.61 0.00 0.00 0.00 174.94 174.90 1jqb n GLY 2174N 4.95 1.74 2.00 6.18 0.00 -0.26 -0.69 105.19 119.10 1jqb n GLY 2174Ca 0.01 -1.12 -0.24 0.00 0.00 0.00 0.00 46.02 44.66 1jqb n GLY 2174CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1jqb n ILE 2175N 2.18 2.72 -1.14 -0.61 -5.35 -1.08 -4.00 119.36 112.08 1jqb n ILE 2175Ca 0.00 -3.90 -0.09 0.00 -0.27 0.00 0.00 62.75 58.49 1jqb n ILE 2175Cb 0.00 -1.08 0.07 0.00 -1.74 0.00 0.00 39.64 36.88 1jqb n ILE 2175CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jqb n GLY 2176N -0.78 -1.53 0.32 3.28 0.00 -1.26 -4.50 105.19 100.72 1jqb n GLY 2176Ca 0.46 -1.63 0.11 0.00 0.00 0.00 0.00 46.02 44.95 1jqb n GLY 2176CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jqb h ALA 2177N -2.00 1.45 -0.34 4.61 0.00 -1.95 -0.39 119.26 120.65 1jqb h ALA 2177Ca -0.13 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1jqb h ALA 2177Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1jqb h ALA 2177CO 0.09 -0.14 -0.02 0.28 0.00 0.00 0.00 179.25 179.46 1jqb h VAL 2178N 0.62 1.27 -0.22 0.00 2.07 -1.89 -2.46 116.25 115.63 1jqb h VAL 2178Ca 0.53 -1.02 -0.06 0.00 0.82 0.00 0.00 66.70 66.97 1jqb h VAL 2178Cb 0.84 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 1jqb h VAL 2178CO -0.41 0.33 -0.11 1.23 0.02 0.00 0.00 177.57 178.64 1jqb h GLY 2179N 0.41 0.37 1.30 2.17 0.00 -1.45 -0.53 103.07 105.34 1jqb h GLY 2179Ca 0.09 -0.24 -0.11 0.00 0.00 0.00 0.00 47.33 47.08 1jqb h GLY 2179CO 0.02 0.22 -0.15 1.41 0.00 0.00 0.00 176.54 178.04 1jqb h LEU 2180N 0.33 0.82 -0.67 3.11 3.38 -0.94 0.55 115.31 121.89 1jqb h LEU 2180Ca 0.07 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 1jqb h LEU 2180Cb 0.40 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1jqb h LEU 2180CO 0.02 0.98 -0.23 0.24 0.09 0.00 0.00 178.44 179.54 1jqb h MET 2181N 0.73 0.00 -0.29 1.13 2.86 -0.97 -0.60 114.93 117.79 1jqb h MET 2181Ca 0.11 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.57 1jqb h MET 2181Cb 0.66 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.32 1jqb h MET 2181CO 0.05 0.23 -0.53 0.78 1.06 0.00 0.00 176.91 178.50 1jqb h GLY 2182N 2.78 0.95 0.75 8.32 0.00 -0.28 0.12 103.07 115.71 1jqb h GLY 2182Ca -0.00 -1.09 -0.00 0.00 0.00 0.00 0.00 47.33 46.23 1jqb h GLY 2182CO 0.03 0.98 0.00 -2.22 0.00 0.00 0.00 176.54 175.34 1jqb h ILE 2183N 0.67 1.21 -0.55 2.60 2.04 -0.59 -0.39 117.51 122.49 1jqb h ILE 2183Ca 0.02 -0.63 0.01 0.00 1.00 0.00 0.00 64.86 65.26 1jqb h ILE 2183Cb 1.14 1.58 -0.03 0.00 -0.74 0.00 0.00 36.82 38.77 1jqb h ILE 2183CO 0.12 0.17 0.36 0.00 0.00 0.00 0.00 178.15 178.80 1jqb h ALA 2184N 0.75 0.70 -0.73 1.87 0.00 -1.07 -1.57 119.26 119.21 1jqb h ALA 2184Ca 0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1jqb h ALA 2184Cb 0.27 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1jqb h ALA 2184CO 0.00 0.13 0.34 0.78 0.00 0.00 0.00 179.25 180.50 1jqb h GLY 2185N 0.74 1.13 1.12 0.00 0.00 -0.65 -0.35 103.07 105.06 1jqb h GLY 2185Ca 0.20 -0.55 -0.10 0.00 0.00 0.00 0.00 47.33 46.88 1jqb h GLY 2185CO -0.05 0.53 -0.04 0.00 0.00 0.00 0.00 176.54 176.98 1jqb h ALA 2186N 1.33 0.84 -0.35 3.60 0.00 -0.56 -1.81 119.26 122.31 1jqb h ALA 2186Ca 0.25 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1jqb h ALA 2186Cb 0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1jqb h ALA 2186CO -0.03 0.67 -0.08 -0.22 0.00 0.00 0.00 179.25 179.59 1jqb h LYS 2187N 0.94 0.58 0.00 0.00 3.64 -0.91 -1.43 116.57 119.40 1jqb h LYS 2187Ca 0.16 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1jqb h LYS 2187Cb 0.59 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1jqb h LYS 2187CO 0.04 0.66 0.00 1.28 -2.27 0.00 0.00 179.45 179.16 1jqb n LEU 2188N -4.22 0.00 -0.40 5.20 4.77 -0.17 -1.93 117.00 120.25 1jqb n LEU 2188Ca 0.01 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.03 1jqb n LEU 2188Cb 0.31 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.47 1jqb n LEU 2188CO 0.40 0.00 0.50 0.54 -1.33 0.00 0.00 177.39 177.50 1jqb n ARG 2189N -0.91 1.66 -0.39 3.23 5.12 -0.76 -4.99 116.66 119.63 1jqb n ARG 2189Ca 0.18 -1.49 0.00 0.00 -1.93 0.00 0.00 57.85 54.61 1jqb n ARG 2189Cb 0.08 -1.18 0.00 0.00 -1.16 0.00 0.00 32.46 30.21 1jqb n ARG 2189CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jqb n GLY 2190N 0.34 0.78 3.72 -0.13 0.00 -0.81 -4.40 105.19 104.68 1jqb n GLY 2190Ca 0.07 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 1jqb n GLY 2190CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jqb n ALA 2191N -0.84 1.10 -1.56 4.61 0.00 -0.61 -0.84 120.51 122.37 1jqb n ALA 2191Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jqb n ALA 2191Cb 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.14 1jqb n ALA 2191CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jqb n GLY 2192N 0.95 0.71 3.72 0.00 0.00 0.24 -4.65 105.19 106.15 1jqb n GLY 2192Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1jqb n GLY 2192CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jqb s ARG 2193N 0.11 4.52 -0.19 1.61 3.52 -1.24 -4.92 118.95 122.36 1jqb s ARG 2193Ca 0.00 1.60 -0.00 0.00 -0.13 0.00 0.00 55.73 57.20 1jqb s ARG 2193Cb 0.00 -3.38 0.05 0.00 -1.56 0.00 0.00 34.95 30.05 1jqb s ARG 2193CO 0.00 -0.10 -0.06 0.42 -0.81 0.00 0.00 175.30 174.76 1jqb s ILE 2194N 0.80 1.26 -0.35 4.11 1.01 -1.26 0.03 121.20 126.80 1jqb s ILE 2194Ca 0.54 -0.83 -0.13 0.00 0.00 0.00 0.00 60.65 60.22 1jqb s ILE 2194Cb -0.26 -1.47 -0.01 0.00 0.01 0.00 0.00 42.46 40.74 1jqb s ILE 2194CO 0.29 0.06 0.26 -0.63 0.00 0.00 0.00 174.94 174.92 1jqb s ILE 2195N 1.55 5.28 0.01 2.92 1.01 0.69 -0.04 121.20 132.62 1jqb s ILE 2195Ca -0.01 -0.30 -0.12 0.00 0.00 0.00 0.00 60.65 60.21 1jqb s ILE 2195Cb -0.16 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.49 1jqb s ILE 2195CO -0.07 -0.07 0.37 -0.83 0.00 0.00 0.00 174.94 174.33 1jqb s GLY 2196N 1.71 2.40 -0.20 6.18 0.00 0.29 -0.72 107.32 116.99 1jqb s GLY 2196Ca 0.06 -0.32 -0.01 0.00 0.00 0.00 0.00 44.72 44.44 1jqb s GLY 2196CO 0.10 -0.01 -0.12 0.14 0.00 0.00 0.00 173.10 173.21 1jqb s VAL 2197N -1.17 2.70 -0.52 1.40 1.01 -0.31 -0.86 120.40 122.65 1jqb s VAL 2197Ca 0.25 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1jqb s VAL 2197Cb -0.15 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.03 1jqb s VAL 2197CO 0.14 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.32 1jqb n GLY 2198N 4.70 -1.27 0.00 4.51 0.00 -0.74 -1.10 105.19 111.29 1jqb n GLY 2198Ca -0.20 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1jqb n GLY 2198CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jqb n SER 2199N 0.31 1.40 -4.67 1.61 3.41 -1.26 -4.06 113.62 110.36 1jqb n SER 2199Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 1jqb n SER 2199Cb 0.00 0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 1jqb n SER 2199CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1jqb s ARG 2200N -1.20 4.18 0.27 4.33 0.52 -1.26 -4.88 118.95 120.91 1jqb s ARG 2200Ca 0.00 2.30 -0.01 0.00 -0.52 0.00 0.00 55.73 57.50 1jqb s ARG 2200Cb 0.00 -3.91 0.61 0.00 0.52 0.00 0.00 34.95 32.17 1jqb s ARG 2200CO 0.00 -0.83 1.66 -1.35 0.02 0.00 0.00 175.30 174.80 1jqb h PRO 2201N 9.40 0.24 -0.76 3.54 0.11 -1.97 -0.28 132.00 142.27 1jqb h PRO 2201Ca -0.42 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 1jqb h PRO 2201Cb 1.19 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 1jqb h PRO 2201CO 0.94 0.16 0.39 0.97 -0.21 0.00 0.00 178.00 180.25 1jqb h ILE 2202N 0.25 1.23 -0.15 4.15 6.09 -1.91 -1.81 117.51 125.36 1jqb h ILE 2202Ca 0.50 -0.62 -0.21 0.00 -1.37 0.00 0.00 64.86 63.16 1jqb h ILE 2202Cb 0.95 0.23 0.01 0.00 0.47 0.00 0.00 36.82 38.47 1jqb h ILE 2202CO -0.60 0.27 -0.73 0.00 -3.07 0.00 0.00 178.15 174.02 1jqb h VAL 2204N 0.48 1.07 -0.36 0.00 2.07 -0.80 0.33 116.25 119.05 1jqb h VAL 2204Ca -0.05 -0.33 -0.14 0.00 0.82 0.00 0.00 66.70 67.00 1jqb h VAL 2204Cb 1.36 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1jqb h VAL 2204CO 0.15 0.18 -0.32 -0.33 0.02 0.00 0.00 177.57 177.27 1jqb h GLU 2205N 0.97 0.85 -0.73 1.57 4.39 -1.35 -2.53 114.58 117.76 1jqb h GLU 2205Ca 0.35 -0.43 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 1jqb h GLU 2205Cb 0.10 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 1jqb h GLU 2205CO -0.15 1.07 0.42 0.00 -1.16 0.00 0.00 179.01 179.20 1jqb h ALA 2206N 0.76 0.93 -0.50 3.43 0.00 -0.96 -1.17 119.26 121.75 1jqb h ALA 2206Ca 0.06 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1jqb h ALA 2206Cb 0.90 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1jqb h ALA 2206CO 0.08 0.42 0.28 0.00 0.00 0.00 0.00 179.25 180.03 1jqb h ALA 2207N 1.22 0.64 -0.72 0.00 0.00 -0.23 -0.35 119.26 119.81 1jqb h ALA 2207Ca 0.26 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 1jqb h ALA 2207Cb 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1jqb h ALA 2207CO -0.05 -0.04 0.25 0.87 0.00 0.00 0.00 179.25 180.28 1jqb h LYS 2208N 0.55 1.09 -0.85 0.00 1.57 -1.16 -0.44 116.57 117.32 1jqb h LYS 2208Ca 0.21 -0.21 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1jqb h LYS 2208Cb 0.07 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.16 1jqb h LYS 2208CO -0.12 0.91 0.56 0.35 -0.57 0.00 0.00 179.45 180.58 1jqb h PHE 2209N 1.06 1.05 -0.00 -1.35 3.57 0.02 -2.66 116.94 118.62 1jqb h PHE 2209Ca 0.24 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.76 1jqb h PHE 2209Cb 0.26 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.64 1jqb h PHE 2209CO 0.02 0.63 -0.03 0.66 -2.23 0.00 0.00 178.31 177.35 1jqb n TYR 2210N -4.53 0.00 0.00 0.41 4.01 -0.26 -4.89 117.16 111.90 1jqb n TYR 2210Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.84 1jqb n TYR 2210Cb 0.06 -0.46 0.00 0.00 -0.31 0.00 0.00 39.34 38.63 1jqb n TYR 2210CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jqb n GLY 2211N 1.48 0.52 3.69 2.72 0.00 -0.90 -4.00 105.19 108.70 1jqb n GLY 2211Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1jqb n GLY 2211CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jqb n ALA 2212N 0.00 2.13 -0.00 4.61 0.00 -0.22 -4.58 120.51 122.45 1jqb n ALA 2212Ca 0.00 0.36 0.06 0.00 0.00 0.00 0.00 53.44 53.87 1jqb n ALA 2212Cb 0.00 -2.52 -0.13 0.00 0.00 0.00 0.00 19.45 16.80 1jqb n ALA 2212CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1jqb n THR 2213N 4.27 0.46 -3.95 0.00 -2.24 0.95 -4.50 114.28 109.26 1jqb n THR 2213Ca 0.18 -0.59 -0.10 0.00 -2.27 0.00 0.00 64.05 61.27 1jqb n THR 2213Cb 0.34 -0.21 -0.11 0.00 -2.10 0.00 0.00 70.33 68.25 1jqb n THR 2213CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1jqb s ASP 2214N -4.95 0.17 -0.04 3.42 1.11 -1.02 -4.98 116.67 110.38 1jqb s ASP 2214Ca -0.07 -0.38 0.04 0.00 0.18 0.00 0.00 52.55 52.33 1jqb s ASP 2214Cb 0.11 0.11 -0.00 0.00 1.07 0.00 0.00 42.92 44.21 1jqb s ASP 2214CO 0.87 -0.26 -0.16 -0.63 1.18 0.00 0.00 175.17 176.16 1jqb s ILE 2215N -1.23 1.36 -0.05 0.77 -1.09 -1.26 -0.54 121.20 119.16 1jqb s ILE 2215Ca -0.13 -0.68 0.05 0.00 -2.23 0.00 0.00 60.65 57.65 1jqb s ILE 2215Cb -0.08 -1.17 -0.00 0.00 -1.58 0.00 0.00 42.46 39.62 1jqb s ILE 2215CO -0.01 0.39 -0.20 -0.76 -1.23 0.00 0.00 174.94 173.14 1jqb s LEU 2216N 0.04 1.96 -0.40 2.97 1.43 -0.04 -4.96 118.68 119.67 1jqb s LEU 2216Ca -0.03 -0.41 -0.17 0.00 -1.03 0.00 0.00 54.13 52.49 1jqb s LEU 2216Cb -0.11 -1.11 0.01 0.00 0.03 0.00 0.00 46.19 45.02 1jqb s LEU 2216CO 0.02 0.18 0.44 0.21 0.23 0.00 0.00 176.35 177.43 1jqb s ASN 2217N 0.01 6.21 0.65 2.29 3.84 -1.26 -1.79 114.94 124.89 1jqb s ASN 2217Ca -0.05 -0.54 0.43 0.00 0.21 0.00 0.00 52.86 52.91 1jqb s ASN 2217Cb -0.13 -2.23 2.33 0.00 -0.55 0.00 0.00 41.25 40.68 1jqb s ASN 2217CO 0.03 -0.55 2.31 0.10 -2.79 0.00 0.00 177.10 176.21 1jqb h TYR 2218N 8.68 0.00 0.00 0.43 -0.00 -1.86 -1.51 116.97 122.71 1jqb h TYR 2218Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.46 1jqb h TYR 2218Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.85 1jqb h TYR 2218CO 0.65 0.00 0.00 1.63 -0.00 0.00 0.00 178.16 180.44 1jqb n LYS 2219N -3.02 0.26 -1.47 0.10 5.02 -1.26 -4.06 118.16 113.72 1jqb n LYS 2219Ca -0.03 0.21 -0.29 0.00 -2.02 0.00 0.00 58.31 56.18 1jqb n LYS 2219Cb 0.09 -1.80 0.08 0.00 -0.02 0.00 0.00 35.03 33.38 1jqb n LYS 2219CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1jqb n ASN 2220N -2.25 6.29 0.00 4.39 3.02 -0.57 -5.00 115.26 121.14 1jqb n ASN 2220Ca 0.06 -3.77 0.00 0.00 -0.03 0.00 0.00 54.58 50.84 1jqb n ASN 2220Cb 0.43 -0.77 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 1jqb n ASN 2220CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jqb n GLY 2221N -0.89 4.23 3.70 7.41 0.00 -1.26 -5.01 105.19 113.37 1jqb n GLY 2221Ca 0.55 -1.33 -0.55 0.00 0.00 0.00 0.00 46.02 44.69 1jqb n GLY 2221CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jqb n HIS 2222N -1.30 2.11 -0.28 1.61 8.25 -1.26 -4.77 115.22 119.59 1jqb n HIS 2222Ca 0.00 0.41 0.08 0.00 -0.26 0.00 0.00 57.72 57.95 1jqb n HIS 2222Cb 0.00 -2.51 0.23 0.00 1.12 0.00 0.00 29.99 28.83 1jqb n HIS 2222CO 0.00 0.00 0.00 0.97 0.64 0.00 0.00 176.34 177.95 1jqb h ILE 2223N 5.26 0.59 -0.59 1.59 6.09 -1.93 -0.50 117.51 128.01 1jqb h ILE 2223Ca -0.47 -0.15 -0.04 0.00 -1.37 0.00 0.00 64.86 62.84 1jqb h ILE 2223Cb 1.31 0.12 -0.03 0.00 0.47 0.00 0.00 36.82 38.69 1jqb h ILE 2223CO 0.96 0.08 0.22 -0.33 -3.07 0.00 0.00 178.15 176.01 1jqb h GLU 2224N 0.43 0.87 -0.37 2.19 3.07 -1.88 0.20 114.58 119.09 1jqb h GLU 2224Ca 0.47 -0.14 -0.12 0.00 -0.50 0.00 0.00 59.36 59.06 1jqb h GLU 2224Cb 0.78 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.53 1jqb h GLU 2224CO -0.45 0.72 -0.25 -0.44 -1.40 0.00 0.00 179.01 177.18 1jqb h ASP 2225N 0.85 0.85 -0.48 1.42 3.32 -1.51 -1.61 116.42 119.27 1jqb h ASP 2225Ca 0.20 -0.43 -0.04 0.00 0.02 0.00 0.00 57.03 56.78 1jqb h ASP 2225Cb 0.18 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1jqb h ASP 2225CO -0.02 1.11 0.15 1.56 -1.72 0.00 0.00 179.24 180.32 1jqb h GLN 2226N 0.61 0.74 -0.89 3.56 4.20 -0.73 -2.06 115.11 120.54 1jqb h GLN 2226Ca 0.07 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1jqb h GLN 2226Cb 0.82 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.45 1jqb h GLN 2226CO 0.07 0.70 0.56 0.28 -0.67 0.00 0.00 178.83 179.76 1jqb h VAL 2227N 0.64 1.24 -0.19 -0.54 2.07 -0.87 -1.25 116.25 117.36 1jqb h VAL 2227Ca 0.15 -0.48 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 1jqb h VAL 2227Cb 0.26 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 1jqb h VAL 2227CO -0.01 0.24 -0.11 0.24 0.02 0.00 0.00 177.57 177.95 1jqb h MET 2228N 1.21 0.29 -0.45 1.57 2.86 -0.93 -1.27 114.93 118.22 1jqb h MET 2228Ca 0.32 -0.07 -0.14 0.00 -2.06 0.00 0.00 59.70 57.75 1jqb h MET 2228Cb -0.09 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 1jqb h MET 2228CO -0.06 0.41 -0.27 0.87 1.06 0.00 0.00 176.91 178.92 1jqb h LYS 2229N 0.28 0.97 0.00 1.72 1.79 -0.56 0.41 116.57 121.17 1jqb h LYS 2229Ca 0.06 -0.45 -0.07 0.00 -2.18 0.00 0.00 60.65 58.01 1jqb h LYS 2229Cb 0.37 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 1jqb h LYS 2229CO 0.02 1.11 -0.34 -0.07 -1.08 0.00 0.00 179.45 179.09 1jqb h LEU 2230N 0.81 0.00 -3.33 2.94 3.38 -0.77 -3.23 115.31 115.12 1jqb h LEU 2230Ca 0.09 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 1jqb h LEU 2230Cb 0.85 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.56 1jqb h LEU 2230CO 0.08 0.34 0.01 0.35 0.09 0.00 0.00 178.44 179.31 1jqb n THR 2231N -3.73 2.42 -4.04 0.22 -2.24 -0.53 -4.97 114.28 101.41 1jqb n THR 2231Ca -0.01 -2.12 -0.30 0.00 -2.27 0.00 0.00 64.05 59.35 1jqb n THR 2231Cb 0.43 -0.29 -0.01 0.00 -2.10 0.00 0.00 70.33 68.37 1jqb n THR 2231CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1jqb n ASN 2232N -0.69 -2.47 -0.15 3.42 4.05 -0.69 -0.22 115.26 118.49 1jqb n ASN 2232Ca 0.27 -0.95 -0.02 0.00 0.45 0.00 0.00 54.58 54.33 1jqb n ASN 2232Cb 0.98 -3.17 -0.01 0.00 1.23 0.00 0.00 39.78 38.81 1jqb n ASN 2232CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1jqb n GLY 2233N -1.67 0.38 0.10 8.20 0.00 0.13 -4.88 105.19 107.46 1jqb n GLY 2233Ca -0.09 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 45.98 1jqb n GLY 2233CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jqb n LYS 2234N -0.90 0.57 -0.08 1.61 4.76 0.69 -5.04 118.16 119.76 1jqb n LYS 2234Ca -0.02 0.10 0.01 0.00 -2.87 0.00 0.00 58.31 55.53 1jqb n LYS 2234Cb 0.32 -1.79 -0.00 0.00 -1.84 0.00 0.00 35.03 31.72 1jqb n LYS 2234CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jqb n GLY 2235N 1.20 -2.15 3.51 0.72 0.00 -1.26 -4.65 105.19 102.56 1jqb n GLY 2235Ca 0.00 -1.46 -0.24 0.00 0.00 0.00 0.00 46.02 44.32 1jqb n GLY 2235CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jqb s VAL 2236N -0.70 2.59 0.17 1.61 -7.23 -0.17 -4.83 120.40 111.84 1jqb s VAL 2236Ca 0.00 -2.30 -0.06 0.00 -1.81 0.00 0.00 61.98 57.81 1jqb s VAL 2236Cb 0.00 -2.43 -0.06 0.00 0.56 0.00 0.00 36.38 34.45 1jqb s VAL 2236CO 0.00 -0.37 1.49 0.44 -0.31 0.00 0.00 175.10 176.35 1jqb h ASP 2237N 2.17 0.75 -5.08 4.85 3.32 -1.79 0.13 116.42 120.76 1jqb h ASP 2237Ca -0.41 -0.39 -0.14 0.00 0.02 0.00 0.00 57.03 56.12 1jqb h ASP 2237Cb 1.26 -0.22 -0.18 0.00 0.22 0.00 0.00 39.33 40.41 1jqb h ASP 2237CO 0.62 1.13 -0.58 -0.13 -1.72 0.00 0.00 179.24 178.55 1jqb s ARG 2238N -4.10 0.53 -0.03 3.56 1.81 -0.78 -2.65 118.95 117.28 1jqb s ARG 2238Ca -0.09 -0.78 0.01 0.00 -1.72 0.00 0.00 55.73 53.16 1jqb s ARG 2238Cb 0.11 0.20 0.02 0.00 -0.45 0.00 0.00 34.95 34.83 1jqb s ARG 2238CO 0.86 -0.12 -0.03 0.08 -0.68 0.00 0.00 175.30 175.41 1jqb s VAL 2239N -2.50 0.36 -0.22 3.52 1.01 -0.70 -1.59 120.40 120.28 1jqb s VAL 2239Ca -0.06 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.84 1jqb s VAL 2239Cb -0.02 -0.41 -0.01 0.00 0.00 0.00 0.00 36.38 35.95 1jqb s VAL 2239CO -0.04 0.17 -0.05 -0.63 0.00 0.00 0.00 175.10 174.55 1jqb s ILE 2240N 0.81 3.29 -0.49 2.22 1.01 0.87 -0.25 121.20 128.66 1jqb s ILE 2240Ca -0.09 -0.52 -0.21 0.00 0.00 0.00 0.00 60.65 59.82 1jqb s ILE 2240Cb -0.13 -2.49 0.04 0.00 0.01 0.00 0.00 42.46 39.89 1jqb s ILE 2240CO -0.01 0.43 0.69 -0.04 0.00 0.00 0.00 174.94 176.01 1jqb s MET 2241N 1.47 3.22 -0.06 2.79 -1.94 0.24 -0.82 119.30 124.20 1jqb s MET 2241Ca 0.06 -0.58 0.09 0.00 -1.71 0.00 0.00 55.69 53.55 1jqb s MET 2241Cb -0.14 -4.03 0.13 0.00 2.01 0.00 0.00 34.83 32.80 1jqb s MET 2241CO -0.04 -1.18 1.01 0.00 -0.01 0.00 0.00 175.02 174.80 1jqb n ALA 2242N 6.43 2.01 0.00 3.03 0.00 0.13 -1.36 120.51 130.75 1jqb n ALA 2242Ca -0.03 -1.67 0.00 0.00 0.00 0.00 0.00 53.44 51.73 1jqb n ALA 2242Cb 0.47 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.64 1jqb n ALA 2242CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jqb n GLY 2243N -0.76 0.68 1.44 0.00 0.00 -0.50 -4.40 105.19 101.65 1jqb n GLY 2243Ca 0.07 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1jqb n GLY 2243CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jqb n GLY 2244N -0.20 -2.68 3.92 -0.02 0.00 -1.26 -4.58 105.19 100.36 1jqb n GLY 2244Ca 0.00 -1.71 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 1jqb n GLY 2244CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jqb s GLY 2245N -1.10 1.80 0.28 -0.02 0.00 -1.26 -4.94 107.32 102.08 1jqb s GLY 2245Ca 0.00 -1.26 0.24 0.00 0.00 0.00 0.00 44.72 43.70 1jqb s GLY 2245CO 0.00 -0.45 1.73 1.48 0.00 0.00 0.00 173.10 175.86 1jqb h SER 2246N -1.76 0.00 0.49 1.64 4.64 -1.94 -1.97 113.55 114.65 1jqb h SER 2246Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1jqb h SER 2246Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1jqb h SER 2246CO 0.34 0.00 0.00 -1.84 -0.87 0.00 0.00 176.83 174.46 1jqb n GLU 2247N -2.31 0.13 0.28 4.77 0.00 -1.26 -1.63 120.64 120.63 1jqb n GLU 2247Ca 0.02 0.44 0.13 0.00 0.00 0.00 0.00 57.16 57.75 1jqb n GLU 2247Cb 0.23 -1.79 0.82 0.00 0.00 0.00 0.00 31.44 30.70 1jqb n GLU 2247CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 1jqb h THR 2248N 0.00 0.60 -0.17 3.84 1.35 -1.72 -1.53 112.91 115.29 1jqb h THR 2248Ca 0.00 -0.20 -0.02 0.00 -0.55 0.00 0.00 66.41 65.64 1jqb h THR 2248Cb 0.25 1.13 -0.01 0.00 -1.73 0.00 0.00 68.15 67.79 1jqb h THR 2248CO 0.00 0.05 0.04 0.25 -0.25 0.00 0.00 175.52 175.61 1jqb h LEU 2249N 0.00 0.26 -0.73 3.87 5.85 -1.54 0.21 115.31 123.23 1jqb h LEU 2249Ca -0.00 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1jqb h LEU 2249Cb 0.12 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 1jqb h LEU 2249CO 0.01 0.42 0.47 -1.28 -0.34 0.00 0.00 178.44 177.72 1jqb h SER 2250N 0.08 0.85 -0.61 1.25 0.87 -1.42 0.18 113.55 114.75 1jqb h SER 2250Ca 0.05 -0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.54 1jqb h SER 2250Cb 0.27 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 61.98 1jqb h SER 2250CO 0.00 0.63 0.24 1.56 -0.53 0.00 0.00 176.83 178.73 1jqb h GLN 2251N 0.99 0.96 -0.42 2.24 4.20 -1.05 -1.75 115.11 120.27 1jqb h GLN 2251Ca 0.27 -0.16 -0.06 0.00 0.06 0.00 0.00 58.65 58.75 1jqb h GLN 2251Cb -0.09 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.51 1jqb h GLN 2251CO -0.06 0.79 0.02 0.00 -0.67 0.00 0.00 178.83 178.91 1jqb h ALA 2252N 1.33 0.57 -0.33 3.87 0.00 0.52 -2.45 119.26 122.77 1jqb h ALA 2252Ca 0.22 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1jqb h ALA 2252Cb 0.21 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1jqb h ALA 2252CO -0.02 0.34 -0.06 0.28 0.00 0.00 0.00 179.25 179.80 1jqb h VAL 2253N 0.58 1.22 0.00 0.00 2.07 -0.77 -2.18 116.25 117.17 1jqb h VAL 2253Ca 0.12 -0.91 -0.10 0.00 0.82 0.00 0.00 66.70 66.64 1jqb h VAL 2253Cb 0.46 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1jqb h VAL 2253CO 0.02 0.30 -0.46 0.11 0.02 0.00 0.00 177.57 177.57 1jqb h LYS 2254N 0.50 0.00 0.00 1.57 1.57 -1.09 -3.29 116.57 115.83 1jqb h LYS 2254Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1jqb h LYS 2254Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1jqb h LYS 2254CO 0.02 0.46 -1.42 0.00 -0.57 0.00 0.00 179.45 177.93 1jqb n MET 2255N -3.53 0.52 -3.10 3.15 0.00 -0.94 -4.95 117.12 108.27 1jqb n MET 2255Ca -0.00 -0.05 -0.35 0.00 0.00 0.00 0.00 57.70 57.30 1jqb n MET 2255Cb 0.57 -1.62 -0.06 0.00 0.00 0.00 0.00 33.22 32.11 1jqb n MET 2255CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1jqb s VAL 2256N -3.37 4.59 0.68 3.17 0.11 -0.84 -1.00 120.40 123.74 1jqb s VAL 2256Ca -0.02 1.19 -0.13 0.00 -2.93 0.00 0.00 61.98 60.08 1jqb s VAL 2256Cb 0.13 -3.77 0.01 0.00 -1.53 0.00 0.00 36.38 31.22 1jqb s VAL 2256CO 0.85 0.05 1.08 -0.54 -3.33 0.00 0.00 175.10 173.21 1jqb s LYS 2257N -2.37 2.82 0.42 1.54 1.02 0.44 -4.78 119.74 118.82 1jqb s LYS 2257Ca 0.48 1.21 -0.26 0.00 0.02 0.00 0.00 55.97 57.41 1jqb s LYS 2257Cb -0.14 -1.96 -0.09 0.00 -0.52 0.00 0.00 37.83 35.12 1jqb s LYS 2257CO 0.20 -1.21 1.36 -2.14 -0.92 0.00 0.00 175.35 172.63 1jqb s PRO 2258N -4.47 3.90 0.00 -1.68 0.02 -1.26 -0.85 135.00 130.65 1jqb s PRO 2258Ca 0.63 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.93 1jqb s PRO 2258Cb -0.17 -2.75 0.00 0.00 0.02 0.00 0.00 34.50 31.60 1jqb s PRO 2258CO 0.47 -0.60 0.00 0.41 -0.33 0.00 0.00 177.00 176.95 1jqb n GLY 2259N 0.63 1.90 3.77 0.52 0.00 0.33 -4.96 105.19 107.38 1jqb n GLY 2259Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1jqb n GLY 2259CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jqb s GLY 2260N -1.99 1.70 -0.02 -0.02 0.00 -0.03 -4.81 107.32 102.15 1jqb s GLY 2260Ca 0.00 -1.14 0.02 0.00 0.00 0.00 0.00 44.72 43.61 1jqb s GLY 2260CO 0.00 -0.29 -0.08 -0.42 0.00 0.00 0.00 173.10 172.31 1jqb s ILE 2261N -3.50 0.68 -0.18 0.90 1.01 -1.08 -1.71 121.20 117.32 1jqb s ILE 2261Ca 0.73 -0.32 -0.03 0.00 0.00 0.00 0.00 60.65 61.04 1jqb s ILE 2261Cb -0.06 -0.61 -0.01 0.00 0.01 0.00 0.00 42.46 41.79 1jqb s ILE 2261CO 0.54 0.21 -0.07 -0.63 0.00 0.00 0.00 174.94 175.00 1jqb s ILE 2262N 0.14 3.34 -0.25 2.92 1.01 0.76 -1.72 121.20 127.41 1jqb s ILE 2262Ca -0.02 -0.53 -0.00 0.00 0.00 0.00 0.00 60.65 60.10 1jqb s ILE 2262Cb -0.07 -2.48 0.04 0.00 0.01 0.00 0.00 42.46 39.96 1jqb s ILE 2262CO 0.00 0.47 -0.08 -0.55 0.00 0.00 0.00 174.94 174.78 1jqb s SER 2263N 0.94 4.28 -0.18 3.58 0.15 0.65 -0.12 113.70 123.01 1jqb s SER 2263Ca -0.01 -1.04 -0.14 0.00 0.70 0.00 0.00 55.95 55.46 1jqb s SER 2263Cb -0.15 -1.62 -0.04 0.00 -1.71 0.00 0.00 66.02 62.50 1jqb s SER 2263CO 0.00 -0.15 0.32 0.21 1.20 0.00 0.00 173.24 174.82 1jqb s ASN 2264N 1.25 6.42 -0.02 5.45 2.47 0.11 -0.59 114.94 130.02 1jqb s ASN 2264Ca -0.02 0.49 0.03 0.00 0.42 0.00 0.00 52.86 53.77 1jqb s ASN 2264Cb -0.17 -2.19 0.04 0.00 -1.45 0.00 0.00 41.25 37.47 1jqb s ASN 2264CO -0.05 0.04 0.84 2.30 -3.72 0.00 0.00 177.10 176.51 1jqb n ILE 2265N 3.85 0.60 -3.68 -5.21 -5.35 -0.46 -2.30 119.36 106.81 1jqb n ILE 2265Ca -0.11 -0.65 -0.37 0.00 -0.27 0.00 0.00 62.75 61.35 1jqb n ILE 2265Cb 0.52 0.57 -0.07 0.00 -1.74 0.00 0.00 39.64 38.92 1jqb n ILE 2265CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1jqb s ASN 2266N -0.91 6.47 -0.34 7.28 2.47 -1.06 -4.91 114.94 123.93 1jqb s ASN 2266Ca 0.05 0.56 -0.27 0.00 0.42 0.00 0.00 52.86 53.62 1jqb s ASN 2266Cb 0.04 -2.14 0.01 0.00 -1.45 0.00 0.00 41.25 37.71 1jqb s ASN 2266CO 0.00 0.27 0.96 -0.47 -3.72 0.00 0.00 177.10 174.15 1jqb s TYR 2267N -0.42 3.12 -0.35 0.43 6.14 -1.26 -5.00 117.35 120.00 1jqb s TYR 2267Ca 0.16 0.93 -0.19 0.00 0.64 0.00 0.00 57.07 58.61 1jqb s TYR 2267Cb -0.13 -3.62 -0.00 0.00 0.42 0.00 0.00 41.96 38.63 1jqb s TYR 2267CO 0.05 -0.78 0.57 -1.01 0.64 0.00 0.00 175.55 175.02 1jqb s HIS 2268N 3.48 3.17 -0.17 4.97 3.76 -1.26 -4.94 115.29 124.31 1jqb s HIS 2268Ca 0.40 0.27 0.02 0.00 -0.15 0.00 0.00 55.06 55.60 1jqb s HIS 2268Cb -0.12 -3.01 0.03 0.00 1.11 0.00 0.00 32.58 30.59 1jqb s HIS 2268CO 0.17 -0.57 0.85 0.41 -0.85 0.00 0.00 174.74 174.75 1jqb n GLY 2269N 4.72 1.34 3.22 -2.22 0.00 -1.26 -5.05 105.19 105.93 1jqb n GLY 2269Ca -0.03 -0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 1jqb n GLY 2269CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jqb s SER 2270N -0.67 2.00 0.00 1.61 1.04 -1.26 -4.97 113.70 111.44 1jqb s SER 2270Ca 0.03 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.80 1jqb s SER 2270Cb 0.02 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.06 1jqb s SER 2270CO 0.02 -0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.82 1jqb n GLY 2271N 1.16 -1.76 0.06 7.32 0.00 -1.26 -4.69 105.19 106.01 1jqb n GLY 2271Ca -0.20 -1.54 0.12 0.00 0.00 0.00 0.00 46.02 44.40 1jqb n GLY 2271CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jqb n ASP 2272N -2.00 0.66 -3.75 1.61 8.00 -1.26 -5.00 116.55 114.82 1jqb n ASP 2272Ca 0.00 0.11 -0.04 0.00 0.71 0.00 0.00 54.79 55.57 1jqb n ASP 2272Cb 0.00 0.09 -0.01 0.00 -0.02 0.00 0.00 41.12 41.18 1jqb n ASP 2272CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jqb s ALA 2273N -3.14 -1.52 0.12 2.24 0.00 -1.26 -5.16 121.76 113.04 1jqb s ALA 2273Ca 0.07 -0.03 0.07 0.00 0.00 0.00 0.00 51.96 52.08 1jqb s ALA 2273Cb 0.14 0.70 -0.04 0.00 0.00 0.00 0.00 23.12 23.92 1jqb s ALA 2273CO 0.71 -1.04 -0.08 -0.51 0.00 0.00 0.00 175.76 174.83 1jqb s LEU 2274N -2.96 3.09 -0.00 0.00 1.02 -1.26 -5.02 118.68 113.55 1jqb s LEU 2274Ca 0.12 -0.39 0.05 0.00 0.02 0.00 0.00 54.13 53.94 1jqb s LEU 2274Cb -0.03 -1.86 -0.03 0.00 0.02 0.00 0.00 46.19 44.29 1jqb s LEU 2274CO 0.04 0.16 -0.16 -0.76 0.02 0.00 0.00 176.35 175.65 1jqb s LEU 2275N -2.34 2.66 -0.29 1.79 1.43 -1.26 -5.10 118.68 115.57 1jqb s LEU 2275Ca 0.23 -0.31 -0.05 0.00 -1.03 0.00 0.00 54.13 52.96 1jqb s LEU 2275Cb -0.11 -1.54 0.02 0.00 0.03 0.00 0.00 46.19 44.58 1jqb s LEU 2275CO 0.15 0.30 0.05 -0.63 0.23 0.00 0.00 176.35 176.44 1jqb s ILE 2276N -0.83 3.69 -0.05 -0.59 1.01 -1.26 -3.73 121.20 119.44 1jqb s ILE 2276Ca 0.13 -0.81 -0.30 0.00 0.00 0.00 0.00 60.65 59.68 1jqb s ILE 2276Cb -0.11 -2.91 -0.06 0.00 0.01 0.00 0.00 42.46 39.39 1jqb s ILE 2276CO 0.03 0.09 1.78 -2.16 0.00 0.00 0.00 174.94 174.68 1jqb s PRO 2277N 1.45 4.07 0.13 2.79 0.04 -1.26 -4.90 135.00 137.32 1jqb s PRO 2277Ca 0.02 2.26 -0.26 0.00 0.04 0.00 0.00 61.00 63.06 1jqb s PRO 2277Cb -0.17 -4.07 -0.04 0.00 0.04 0.00 0.00 34.50 30.26 1jqb s PRO 2277CO 0.01 -1.00 1.62 -0.09 0.04 0.00 0.00 177.00 177.59 1jqb h ARG 2278N 10.30 -0.39 0.31 4.56 2.43 -1.97 -2.07 114.38 127.55 1jqb h ARG 2278Ca -0.42 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 58.77 1jqb h ARG 2278Cb 1.20 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 1jqb h ARG 2278CO 0.95 -0.26 -0.25 0.28 -1.51 0.00 0.00 179.97 179.18 1jqb h VAL 2279N -0.41 0.47 0.00 0.20 2.07 -1.96 -0.30 116.25 116.32 1jqb h VAL 2279Ca 0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1jqb h VAL 2279Cb 0.52 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1jqb h VAL 2279CO -0.28 0.00 0.00 -0.33 0.02 0.00 0.00 177.57 176.98 1jqb h GLU 2280N -0.57 0.00 -0.76 1.57 3.07 -1.93 -0.22 114.58 115.75 1jqb h GLU 2280Ca -0.02 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.76 1jqb h GLU 2280Cb 0.50 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.37 1jqb h GLU 2280CO -0.02 0.00 0.10 1.87 -1.40 0.00 0.00 179.01 179.56 1jqb n TRP 2281N -2.53 1.70 -3.69 4.33 -0.00 -0.78 -4.80 117.44 111.68 1jqb n TRP 2281Ca -0.00 -0.74 -0.28 0.00 -0.00 0.00 0.00 57.50 56.48 1jqb n TRP 2281Cb 0.15 -0.48 0.01 0.00 -0.00 0.00 0.00 31.31 30.99 1jqb n TRP 2281CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1jqb n GLY 2282N 0.22 -0.49 2.44 5.87 0.00 -0.09 0.09 105.19 113.22 1jqb n GLY 2282Ca 0.25 0.15 -0.19 0.00 0.00 0.00 0.00 46.02 46.24 1jqb n GLY 2282CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jqb n GLY 2284N -0.56 0.67 0.24 0.00 0.00 0.11 -4.95 105.19 100.70 1jqb n GLY 2284Ca -0.20 -0.49 0.03 0.00 0.00 0.00 0.00 46.02 45.36 1jqb n GLY 2284CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jqb n MET 2285N -2.56 0.67 -0.08 1.61 2.81 -0.06 -4.81 117.12 114.71 1jqb n MET 2285Ca 0.00 -1.40 0.08 0.00 -1.81 0.00 0.00 57.70 54.57 1jqb n MET 2285Cb 0.00 -0.83 0.33 0.00 -0.71 0.00 0.00 33.22 32.02 1jqb n MET 2285CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1jqb n ALA 2286N -0.45 2.52 -3.69 3.04 0.00 -1.20 -4.92 120.51 115.81 1jqb n ALA 2286Ca 0.04 -0.43 -0.28 0.00 0.00 0.00 0.00 53.44 52.77 1jqb n ALA 2286Cb 0.60 -1.10 0.01 0.00 0.00 0.00 0.00 19.45 18.97 1jqb n ALA 2286CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1jqb n HIS 2287N 0.10 -2.08 -3.28 0.00 8.25 -1.26 -0.51 115.22 116.44 1jqb n HIS 2287Ca 0.14 0.73 -0.46 0.00 -0.26 0.00 0.00 57.72 57.87 1jqb n HIS 2287Cb 0.25 -3.65 -0.03 0.00 1.12 0.00 0.00 29.99 27.68 1jqb n HIS 2287CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1jqb s LYS 2288N -6.38 3.43 0.17 -0.41 1.02 -1.26 -1.59 119.74 114.71 1jqb s LYS 2288Ca 0.56 -2.16 -0.30 0.00 0.02 0.00 0.00 55.97 54.09 1jqb s LYS 2288Cb -0.29 -4.43 -0.08 0.00 -0.52 0.00 0.00 37.83 32.52 1jqb s LYS 2288CO 0.69 -1.35 1.22 0.99 -0.92 0.00 0.00 175.35 175.98 1jqb s THR 2289N 0.86 3.55 -0.19 2.17 2.01 -0.69 -4.90 115.64 118.44 1jqb s THR 2289Ca 0.15 1.27 -0.02 0.00 0.31 0.00 0.00 61.69 63.40 1jqb s THR 2289Cb -0.15 -3.81 -0.01 0.00 0.01 0.00 0.00 72.50 68.54 1jqb s THR 2289CO -0.05 0.19 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.35 1jqb s ILE 2290N 0.12 3.16 0.23 1.82 1.01 -1.26 -0.17 121.20 126.11 1jqb s ILE 2290Ca 0.54 -0.58 0.08 0.00 0.00 0.00 0.00 60.65 60.69 1jqb s ILE 2290Cb -0.33 -2.40 -0.05 0.00 0.01 0.00 0.00 42.46 39.69 1jqb s ILE 2290CO 0.36 0.46 -0.13 -0.54 0.00 0.00 0.00 174.94 175.09 1jqb s LYS 2291N 1.14 1.43 -0.29 2.79 1.02 0.83 -4.98 119.74 121.69 1jqb s LYS 2291Ca 0.01 -1.66 -0.17 0.00 0.02 0.00 0.00 55.97 54.17 1jqb s LYS 2291Cb -0.14 -1.23 0.15 0.00 -0.52 0.00 0.00 37.83 36.08 1jqb s LYS 2291CO -0.02 0.18 1.00 0.20 -0.92 0.00 0.00 175.35 175.78 1jqb s GLY 2292N -3.38 0.02 -0.07 -3.33 0.00 -1.26 0.06 107.32 99.37 1jqb s GLY 2292Ca 0.25 3.15 -0.30 0.00 0.00 0.00 0.00 44.72 47.82 1jqb s GLY 2292CO 0.09 2.55 0.80 -0.32 0.00 0.00 0.00 173.10 176.22 1jqb s GLY 2293N 1.24 -0.47 0.43 0.20 0.00 -0.97 -4.95 107.32 102.80 1jqb s GLY 2293Ca -0.08 1.46 -0.25 0.00 0.00 0.00 0.00 44.72 45.86 1jqb s GLY 2293CO -0.14 0.86 1.23 -2.27 0.00 0.00 0.00 173.10 172.79 1jqb s LEU 2294N -1.40 4.13 0.55 0.66 2.96 -1.26 -4.76 118.68 119.57 1jqb s LEU 2294Ca -0.06 2.49 -0.21 0.00 -0.22 0.00 0.00 54.13 56.13 1jqb s LEU 2294Cb -0.00 -4.04 -0.05 0.00 0.50 0.00 0.00 46.19 42.60 1jqb s LEU 2294CO 0.04 -0.87 1.35 0.00 -1.32 0.00 0.00 176.35 175.55 1jqb s PRO 2296N -2.94 3.08 0.00 0.00 0.02 -1.26 -4.81 135.00 129.08 1jqb s PRO 2296Ca 0.72 1.34 0.00 0.00 0.02 0.00 0.00 61.00 63.08 1jqb s PRO 2296Cb -0.40 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.13 1jqb s PRO 2296CO 0.47 -1.02 0.00 0.41 -0.33 0.00 0.00 177.00 176.53 1jqb n GLY 2297N -0.63 6.09 0.00 0.52 0.00 -1.26 -4.73 105.19 105.18 1jqb n GLY 2297Ca 0.10 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1jqb n GLY 2297CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jqb n GLY 2298N 2.27 -0.51 0.19 -0.02 0.00 -0.61 -4.27 105.19 102.24 1jqb n GLY 2298Ca 0.00 -1.68 -0.08 0.00 0.00 0.00 0.00 46.02 44.26 1jqb n GLY 2298CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1jqb h ARG 2299N 0.00 0.60 -0.16 1.61 2.43 -0.43 -2.23 114.38 116.21 1jqb h ARG 2299Ca 0.00 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1jqb h ARG 2299Cb 0.00 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 1jqb h ARG 2299CO 0.00 0.48 0.09 1.25 -1.51 0.00 0.00 179.97 180.28 1jqb h LEU 2300N 0.56 0.14 -0.36 3.80 5.85 -1.85 0.11 115.31 123.55 1jqb h LEU 2300Ca 0.15 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.92 1jqb h LEU 2300Cb 0.06 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1jqb h LEU 2300CO -0.02 0.10 0.09 -0.09 -0.34 0.00 0.00 178.44 178.18 1jqb h ARG 2301N 0.18 0.22 -0.58 1.25 9.65 -1.73 -0.45 114.38 122.92 1jqb h ARG 2301Ca 0.06 -0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 58.89 1jqb h ARG 2301Cb -0.00 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.50 1jqb h ARG 2301CO -0.03 0.15 0.20 0.00 2.80 0.00 0.00 179.97 183.08 1jqb h ALA 2302N 1.25 0.76 -0.45 2.80 0.00 -1.01 -1.79 119.26 120.83 1jqb h ALA 2302Ca 0.17 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1jqb h ALA 2302Cb 0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1jqb h ALA 2302CO -0.20 0.41 -0.21 0.93 0.00 0.00 0.00 179.25 180.18 1jqb h GLU 2303N 0.81 0.91 -0.48 0.00 5.08 -0.50 -0.44 114.58 119.96 1jqb h GLU 2303Ca 0.19 -0.37 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 1jqb h GLU 2303Cb 0.26 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1jqb h GLU 2303CO -0.01 1.03 0.11 0.00 -1.00 0.00 0.00 179.01 179.14 1jqb h ARG 2304N 0.79 0.77 -0.26 2.33 3.08 -0.93 -0.30 114.38 119.86 1jqb h ARG 2304Ca 0.11 -0.19 -0.18 0.00 0.07 0.00 0.00 59.98 59.79 1jqb h ARG 2304Cb 0.76 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.71 1jqb h ARG 2304CO 0.06 0.75 -0.55 -0.07 -1.07 0.00 0.00 179.97 179.09 1jqb h LEU 2305N 0.65 0.88 -0.53 3.04 3.38 -1.27 -2.32 115.31 119.14 1jqb h LEU 2305Ca 0.15 -0.47 0.04 0.00 0.09 0.00 0.00 57.88 57.69 1jqb h LEU 2305Cb 0.33 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1jqb h LEU 2305CO 0.00 1.25 0.29 -0.09 0.09 0.00 0.00 178.44 179.98 1jqb h ARG 2306N 0.60 0.56 -0.05 1.13 2.43 -0.94 -1.50 114.38 116.60 1jqb h ARG 2306Ca 0.01 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.07 1jqb h ARG 2306Cb 1.14 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 1jqb h ARG 2306CO 0.12 0.37 -0.33 -0.44 -1.51 0.00 0.00 179.97 178.18 1jqb h ASP 2307N 0.57 0.10 -0.56 -3.80 3.32 -0.92 -0.09 116.42 115.04 1jqb h ASP 2307Ca 0.22 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 1jqb h ASP 2307Cb 0.09 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 1jqb h ASP 2307CO -0.13 0.43 0.16 0.24 -1.72 0.00 0.00 179.24 178.22 1jqb h MET 2308N 0.09 0.92 -0.30 3.56 2.86 -0.73 0.51 114.93 121.84 1jqb h MET 2308Ca 0.01 -0.19 -0.15 0.00 -2.06 0.00 0.00 59.70 57.31 1jqb h MET 2308Cb 0.62 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 1jqb h MET 2308CO 0.05 0.81 -0.42 0.28 1.06 0.00 0.00 176.91 178.69 1jqb h VAL 2309N 0.89 1.29 -0.67 -2.22 2.07 -0.51 0.17 116.25 117.27 1jqb h VAL 2309Ca 0.20 -1.60 -0.04 0.00 0.82 0.00 0.00 66.70 66.07 1jqb h VAL 2309Cb 0.30 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1jqb h VAL 2309CO -0.00 0.52 0.24 0.58 0.02 0.00 0.00 177.57 178.92 1jqb h VAL 2310N 0.60 1.24 -0.42 2.57 2.07 -0.30 -1.86 116.25 120.15 1jqb h VAL 2310Ca 0.04 -0.78 -0.11 0.00 0.82 0.00 0.00 66.70 66.68 1jqb h VAL 2310Cb 0.97 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 31.15 1jqb h VAL 2310CO 0.09 0.31 0.13 -1.22 0.02 0.00 0.00 177.57 176.90 1jqb n TYR 2311N -4.29 1.41 -4.06 1.57 4.01 0.10 -4.91 117.16 110.99 1jqb n TYR 2311Ca 0.06 -0.72 -0.32 0.00 -0.16 0.00 0.00 57.90 56.75 1jqb n TYR 2311Cb 0.19 -0.45 -0.01 0.00 -0.31 0.00 0.00 39.34 38.77 1jqb n TYR 2311CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1jqb n ASN 2312N 0.07 -3.34 0.19 7.72 5.03 -0.70 -4.85 115.26 119.39 1jqb n ASN 2312Ca 0.23 -0.92 0.09 0.00 0.87 0.00 0.00 54.58 54.84 1jqb n ASN 2312Cb 0.93 -3.24 0.16 0.00 -1.02 0.00 0.00 39.78 36.62 1jqb n ASN 2312CO 0.00 0.00 0.00 0.03 -1.83 0.00 0.00 177.26 175.46 1jqb h ARG 2313N -1.77 0.00 -2.60 3.52 2.47 -0.89 -3.45 114.38 111.67 1jqb h ARG 2313Ca -0.59 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.02 1jqb h ARG 2313Cb 1.38 0.00 -0.24 0.00 -1.65 0.00 0.00 29.97 29.46 1jqb h ARG 2313CO 0.71 0.20 -0.18 0.54 0.56 0.00 0.00 179.97 181.81 1jqb s VAL 2314N -3.17 -0.00 -0.46 2.04 0.11 -1.26 -5.05 120.40 112.60 1jqb s VAL 2314Ca 0.05 0.01 -0.17 0.00 -2.93 0.00 0.00 61.98 58.94 1jqb s VAL 2314Cb 0.07 -0.66 0.05 0.00 -1.53 0.00 0.00 36.38 34.31 1jqb s VAL 2314CO 0.69 0.01 0.46 -0.62 -3.33 0.00 0.00 175.10 172.30 1jqb s ASP 2315N 0.44 6.18 0.00 3.54 -1.08 -1.26 -4.74 116.67 119.74 1jqb s ASP 2315Ca -0.02 -0.98 0.28 0.00 -0.52 0.00 0.00 52.55 51.32 1jqb s ASP 2315Cb -0.04 -2.22 1.08 0.00 -1.46 0.00 0.00 42.92 40.28 1jqb s ASP 2315CO -0.02 -0.67 1.81 0.18 0.52 0.00 0.00 175.17 176.99 1jqb n LEU 2316N 5.58 0.17 0.27 -1.34 4.77 -1.26 -3.99 117.00 121.19 1jqb n LEU 2316Ca -0.09 0.32 0.13 0.00 -0.03 0.00 0.00 56.01 56.33 1jqb n LEU 2316Cb 0.46 -0.39 0.76 0.00 -2.33 0.00 0.00 43.42 41.91 1jqb n LEU 2316CO 0.48 0.04 1.02 0.77 -1.33 0.00 0.00 177.39 178.37 1jqb h SER 2317N 0.05 0.00 0.71 -1.43 4.64 -1.93 -2.31 113.55 113.29 1jqb h SER 2317Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jqb h SER 2317Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1jqb h SER 2317CO 0.00 0.08 0.00 0.11 -0.87 0.00 0.00 176.83 176.15 1jqb h LYS 2318N 0.00 0.00 0.00 4.77 1.79 -2.02 -2.64 116.57 118.47 1jqb h LYS 2318Ca -0.00 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.38 1jqb h LYS 2318Cb 0.21 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 1jqb h LYS 2318CO 0.01 0.00 -0.57 -0.07 -1.08 0.00 0.00 179.45 177.74 1jqb h LEU 2319N 0.00 0.00 -8.68 2.94 3.38 -1.70 -3.44 115.31 107.81 1jqb h LEU 2319Ca 0.00 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.31 1jqb h LEU 2319Cb 0.36 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 40.94 1jqb h LEU 2319CO 0.00 0.41 -0.15 -0.69 0.09 0.00 0.00 178.44 178.10 1jqb s VAL 2320N -3.01 5.06 -0.26 1.22 1.01 -1.00 -1.64 120.40 121.78 1jqb s VAL 2320Ca 0.03 0.04 0.12 0.00 0.00 0.00 0.00 61.98 62.17 1jqb s VAL 2320Cb 0.07 -3.97 -0.16 0.00 0.00 0.00 0.00 36.38 32.32 1jqb s VAL 2320CO 0.74 -0.28 0.37 0.35 0.00 0.00 0.00 175.10 176.29 1jqb n THR 2321N 5.42 0.00 -3.74 3.92 -2.24 -0.86 -4.94 114.28 111.84 1jqb n THR 2321Ca -0.06 -0.25 -0.24 0.00 -2.27 0.00 0.00 64.05 61.22 1jqb n THR 2321Cb 0.48 0.57 -0.17 0.00 -2.10 0.00 0.00 70.33 69.11 1jqb n THR 2321CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1jqb s HIS 2322N -2.53 0.71 -0.23 4.78 3.76 -1.17 -5.00 115.29 115.61 1jqb s HIS 2322Ca -0.01 -0.37 -0.00 0.00 -0.15 0.00 0.00 55.06 54.54 1jqb s HIS 2322Cb 0.08 -0.85 0.03 0.00 1.11 0.00 0.00 32.58 32.96 1jqb s HIS 2322CO 0.50 -0.42 -0.11 0.08 -0.85 0.00 0.00 174.74 173.94 1jqb s VAL 2323N 1.96 2.52 -0.04 -0.90 1.01 -1.26 0.03 120.40 123.72 1jqb s VAL 2323Ca 0.03 -1.10 -0.01 0.00 0.00 0.00 0.00 61.98 60.90 1jqb s VAL 2323Cb -0.14 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1jqb s VAL 2323CO -0.06 0.26 0.03 -0.31 0.00 0.00 0.00 175.10 175.02 1jqb s TYR 2324N 1.28 3.20 -0.53 5.22 2.02 0.36 -4.99 117.35 123.91 1jqb s TYR 2324Ca -0.00 0.19 -0.01 0.00 -0.37 0.00 0.00 57.07 56.87 1jqb s TYR 2324Cb -0.16 -1.75 0.14 0.00 -0.40 0.00 0.00 41.96 39.79 1jqb s TYR 2324CO -0.07 0.51 0.32 -1.01 -1.57 0.00 0.00 175.55 173.73 1jqb s HIS 2325N -1.05 3.45 0.00 2.71 3.76 -1.26 0.35 115.29 123.25 1jqb s HIS 2325Ca 0.18 -2.72 0.00 0.00 -0.15 0.00 0.00 55.06 52.37 1jqb s HIS 2325Cb -0.12 -3.13 0.00 0.00 1.11 0.00 0.00 32.58 30.44 1jqb s HIS 2325CO 0.08 -0.87 0.00 0.41 -0.85 0.00 0.00 174.74 173.51 1jqb n GLY 2326N 3.78 3.53 0.32 -2.22 0.00 -1.15 -4.99 105.19 104.46 1jqb n GLY 2326Ca 0.04 -0.13 0.10 0.00 0.00 0.00 0.00 46.02 46.04 1jqb n GLY 2326CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1jqb h PHE 2327N 0.00 0.28 0.00 1.61 3.57 -1.87 -2.66 116.94 117.88 1jqb h PHE 2327Ca 0.00 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1jqb h PHE 2327Cb 0.00 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.64 1jqb h PHE 2327CO 0.00 0.15 -0.10 -0.44 -2.23 0.00 0.00 178.31 175.69 1jqb h ASP 2328N 0.28 0.00 0.00 0.41 3.32 -2.00 -3.26 116.42 115.18 1jqb h ASP 2328Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1jqb h ASP 2328Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1jqb h ASP 2328CO -0.04 0.10 0.00 1.41 -1.72 0.00 0.00 179.24 179.00 1jqb n HIS 2329N -3.15 0.00 -0.03 4.55 8.25 -1.00 -3.23 115.22 120.61 1jqb n HIS 2329Ca 0.02 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.32 1jqb n HIS 2329Cb 0.50 -0.01 -0.08 0.00 1.12 0.00 0.00 29.99 31.52 1jqb n HIS 2329CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1jqb h ILE 2330N 0.00 1.33 -0.48 1.59 2.04 -1.78 -2.24 117.51 117.97 1jqb h ILE 2330Ca 0.00 -1.89 -0.07 0.00 1.00 0.00 0.00 64.86 63.90 1jqb h ILE 2330Cb 0.06 2.10 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 1jqb h ILE 2330CO 0.00 0.58 0.00 -0.08 0.00 0.00 0.00 178.15 178.66 1jqb h GLU 2331N 0.30 0.79 -0.17 2.37 4.81 -1.87 -1.10 114.58 119.71 1jqb h GLU 2331Ca -0.04 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 58.94 1jqb h GLU 2331Cb 1.27 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 1jqb h GLU 2331CO 0.13 0.80 -0.03 1.49 -0.73 0.00 0.00 179.01 180.67 1jqb h GLU 2332N 0.74 0.32 -0.48 1.92 4.81 -1.77 -2.58 114.58 117.55 1jqb h GLU 2332Ca 0.15 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1jqb h GLU 2332Cb 0.45 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1jqb h GLU 2332CO 0.02 0.58 0.27 0.00 -0.73 0.00 0.00 179.01 179.15 1jqb h ALA 2333N 0.73 0.61 -0.76 2.92 0.00 -1.24 0.13 119.26 121.65 1jqb h ALA 2333Ca 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1jqb h ALA 2333Cb 0.46 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1jqb h ALA 2333CO 0.02 0.12 0.45 1.25 0.00 0.00 0.00 179.25 181.08 1jqb h LEU 2334N 0.63 0.92 -0.92 0.00 5.85 -1.20 -0.57 115.31 120.01 1jqb h LEU 2334Ca 0.17 -0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.71 1jqb h LEU 2334Cb 0.03 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1jqb h LEU 2334CO -0.03 0.72 -0.53 -0.07 -0.34 0.00 0.00 178.44 178.19 1jqb h LEU 2335N 1.04 0.03 -2.30 2.25 3.38 -1.22 -1.51 115.31 116.98 1jqb h LEU 2335Ca 0.27 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 1jqb h LEU 2335Cb -0.02 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1jqb h LEU 2335CO -0.05 0.55 -0.03 0.25 0.09 0.00 0.00 178.44 179.25 1jqb h LEU 2336N 0.02 0.00 0.00 1.67 7.12 0.75 0.20 115.31 125.07 1jqb h LEU 2336Ca -0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1jqb h LEU 2336Cb 0.94 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.07 1jqb h LEU 2336CO 0.07 0.03 -0.50 0.24 -0.13 0.00 0.00 178.44 178.15 1jqb h MET 2337N 0.00 0.00 0.00 1.25 2.86 -0.16 -2.87 114.93 116.01 1jqb h MET 2337Ca -0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1jqb h MET 2337Cb 0.21 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1jqb h MET 2337CO 0.00 0.00 -0.45 -0.22 1.06 0.00 0.00 176.91 177.31 1jqb h LYS 2338N 0.00 0.00 0.00 1.72 3.64 -0.51 -3.34 116.57 118.08 1jqb h LYS 2338Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1jqb h LYS 2338Cb 0.82 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1jqb h LYS 2338CO 0.00 0.23 0.00 -0.25 -2.27 0.00 0.00 179.45 177.16 1jqb n ASP 2339N -4.63 0.05 -1.05 4.20 8.00 -0.39 -4.92 116.55 117.81 1jqb n ASP 2339Ca -0.09 0.52 -0.02 0.00 0.71 0.00 0.00 54.79 55.91 1jqb n ASP 2339Cb 0.27 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 1jqb n ASP 2339CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1jqb n LYS 2340N -1.57 -0.12 -1.15 -1.24 2.85 -1.08 -4.90 118.16 110.95 1jqb n LYS 2340Ca 0.02 0.14 -0.29 0.00 -1.05 0.00 0.00 58.31 57.12 1jqb n LYS 2340Cb 0.09 -0.19 0.15 0.00 -0.65 0.00 0.00 35.03 34.43 1jqb n LYS 2340CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 177.40 175.21 1jqb s PRO 2341N -0.22 0.95 0.29 -1.58 0.02 -1.26 -4.94 135.00 128.27 1jqb s PRO 2341Ca 0.02 0.77 0.26 0.00 0.02 0.00 0.00 61.00 62.06 1jqb s PRO 2341Cb -0.00 -1.78 0.91 0.00 0.02 0.00 0.00 34.50 33.66 1jqb s PRO 2341CO 0.04 -2.44 1.76 0.87 -0.33 0.00 0.00 177.00 176.91 1jqb h LYS 2342N -1.69 0.00 -0.67 5.54 1.79 -2.00 -3.14 116.57 116.40 1jqb h LYS 2342Ca -0.51 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 1jqb h LYS 2342Cb 1.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.95 1jqb h LYS 2342CO 0.55 0.00 0.00 -0.40 -1.08 0.00 0.00 179.45 178.52 1jqb n ASP 2343N -2.42 3.86 -4.59 0.86 5.75 -1.26 -4.33 116.55 114.43 1jqb n ASP 2343Ca 0.03 -2.00 -0.34 0.00 -0.01 0.00 0.00 54.79 52.47 1jqb n ASP 2343Cb 0.34 -0.44 -0.11 0.00 -1.03 0.00 0.00 41.12 39.87 1jqb n ASP 2343CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1jqb s LEU 2344N -1.09 3.35 0.01 -2.12 2.96 -1.19 -4.88 118.68 115.72 1jqb s LEU 2344Ca 0.47 -0.00 -0.01 0.00 -0.22 0.00 0.00 54.13 54.37 1jqb s LEU 2344Cb 0.25 -1.77 -0.00 0.00 0.50 0.00 0.00 46.19 45.17 1jqb s LEU 2344CO 0.33 0.30 -0.01 -0.38 -1.32 0.00 0.00 176.35 175.27 1jqb n ILE 2345N 2.67 0.27 -4.10 6.68 5.41 -1.26 -4.89 119.36 124.15 1jqb n ILE 2345Ca -0.18 0.14 -0.14 0.00 1.00 0.00 0.00 62.75 63.56 1jqb n ILE 2345Cb 0.53 -1.21 -0.13 0.00 -0.71 0.00 0.00 39.64 38.12 1jqb n ILE 2345CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1jqb s LYS 2346N -1.24 0.42 -0.07 0.38 -0.14 -0.65 -4.68 119.74 113.75 1jqb s LYS 2346Ca -0.01 -0.35 0.02 0.00 -1.36 0.00 0.00 55.97 54.27 1jqb s LYS 2346Cb 0.00 -0.32 -0.03 0.00 -1.68 0.00 0.00 37.83 35.80 1jqb s LYS 2346CO 0.01 0.08 -0.10 0.00 -0.76 0.00 0.00 175.35 174.58 1jqb s ALA 2347N -0.52 2.82 -0.09 5.17 0.00 -1.26 -2.02 121.76 125.86 1jqb s ALA 2347Ca -0.02 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.04 1jqb s ALA 2347Cb -0.04 -1.14 0.01 0.00 0.00 0.00 0.00 23.12 21.94 1jqb s ALA 2347CO -0.00 0.51 -0.16 0.08 0.00 0.00 0.00 175.76 176.19 1jqb s VAL 2348N -0.59 1.47 -0.32 0.00 1.01 0.10 -4.01 120.40 118.06 1jqb s VAL 2348Ca 0.09 -0.66 -0.10 0.00 0.00 0.00 0.00 61.98 61.31 1jqb s VAL 2348Cb -0.12 -1.32 0.00 0.00 0.00 0.00 0.00 36.38 34.95 1jqb s VAL 2348CO 0.02 0.43 0.16 -0.69 0.00 0.00 0.00 175.10 175.01 1jqb s VAL 2349N 0.66 4.53 -0.84 2.92 1.01 -0.43 -0.48 120.40 127.77 1jqb s VAL 2349Ca -0.14 -0.53 -0.15 0.00 0.00 0.00 0.00 61.98 61.16 1jqb s VAL 2349Cb -0.16 -3.36 0.20 0.00 0.00 0.00 0.00 36.38 33.06 1jqb s VAL 2349CO 0.04 0.01 0.84 -0.63 0.00 0.00 0.00 175.10 175.36 1jqb s ILE 2350N 1.59 5.42 -2.07 2.22 1.01 0.16 -1.66 121.20 127.86 1jqb s ILE 2350Ca 0.04 -2.25 0.31 0.00 0.00 0.00 0.00 60.65 58.75 1jqb s ILE 2350Cb -0.17 -4.53 0.86 0.00 0.01 0.00 0.00 42.46 38.62 1jqb s ILE 2350CO 0.06 -1.13 2.16 0.00 0.00 0.00 0.00 174.94 176.03