#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pp6 h VAL 2006N 0.00 0.85 -3.50 2.41 2.07 -1.86 -2.33 116.25 113.90 1pp6 h VAL 2006Ca 0.00 -0.10 -0.66 0.00 0.82 0.00 0.00 66.70 66.76 1pp6 h VAL 2006Cb 0.00 0.54 -0.23 0.00 -1.52 0.00 0.00 31.29 30.09 1pp6 h VAL 2006CO 0.00 0.05 -0.72 -0.36 0.02 0.00 0.00 177.57 176.56 1pp6 s PHE 2007N -6.15 2.89 -0.03 1.57 0.08 -1.26 -2.88 117.98 112.20 1pp6 s PHE 2007Ca -0.13 -0.30 -0.30 0.00 0.12 0.00 0.00 56.93 56.32 1pp6 s PHE 2007Cb 0.13 -1.81 -0.06 0.00 -0.57 0.00 0.00 43.02 40.71 1pp6 s PHE 2007CO 0.72 0.04 1.68 -1.14 -0.10 0.00 0.00 175.22 176.42 1pp6 s GLN 2008N -0.10 4.18 0.31 0.44 0.74 1.00 -4.80 119.66 121.42 1pp6 s GLN 2008Ca 0.00 2.24 -0.21 0.00 0.05 0.00 0.00 55.36 57.44 1pp6 s GLN 2008Cb -0.13 -3.97 -0.09 0.00 1.10 0.00 0.00 33.01 29.92 1pp6 s GLN 2008CO 0.03 -0.84 0.83 -1.25 -0.55 0.00 0.00 175.29 173.51 1pp6 s PRO 2009N 3.93 4.29 -0.31 1.67 0.04 -1.26 -2.25 135.00 141.11 1pp6 s PRO 2009Ca 0.75 1.00 -0.02 0.00 0.04 0.00 0.00 61.00 62.77 1pp6 s PRO 2009Cb -0.35 -2.63 0.12 0.00 0.04 0.00 0.00 34.50 31.68 1pp6 s PRO 2009CO 0.31 0.23 0.17 0.08 0.04 0.00 0.00 177.00 177.84 1pp6 s VAL 2010N -1.77 -0.02 -0.84 -0.36 1.01 -1.11 -4.97 120.40 112.33 1pp6 s VAL 2010Ca 0.51 -1.09 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 1pp6 s VAL 2010Cb -0.14 -1.02 0.21 0.00 0.00 0.00 0.00 36.38 35.43 1pp6 s VAL 2010CO 0.19 -0.80 0.73 -1.81 0.00 0.00 0.00 175.10 173.41 1pp6 s ASP 2011N 1.73 6.02 -0.02 3.32 1.01 -1.26 -1.90 116.67 125.57 1pp6 s ASP 2011Ca 0.12 -3.40 0.02 0.00 0.71 0.00 0.00 52.55 50.01 1pp6 s ASP 2011Cb -0.18 -1.96 0.09 0.00 1.01 0.00 0.00 42.92 41.88 1pp6 s ASP 2011CO -0.22 -0.28 0.82 1.67 0.21 0.00 0.00 175.17 177.37 1pp6 n GLN 2012N 2.81 1.35 -1.84 8.23 -0.06 -1.07 -4.82 117.38 121.98 1pp6 n GLN 2012Ca 0.18 -0.34 -0.28 0.00 -2.00 0.00 0.00 57.00 54.56 1pp6 n GLN 2012Cb 0.38 -1.37 0.19 0.00 -4.06 0.00 0.00 30.24 25.38 1pp6 n GLN 2012CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1pp6 n LEU 2013N -0.06 0.00 -4.78 1.69 4.77 -1.18 -4.68 117.00 112.76 1pp6 n LEU 2013Ca 0.03 -1.42 -0.37 0.00 -0.03 0.00 0.00 56.01 54.22 1pp6 n LEU 2013Cb 0.24 -0.95 -0.06 0.00 -2.33 0.00 0.00 43.42 40.32 1pp6 n LEU 2013CO 0.03 -1.38 0.08 -2.16 -1.33 0.00 0.00 177.39 172.62 1pp6 s PRO 2014N -5.73 4.09 0.00 3.23 0.04 -1.26 -4.99 135.00 130.37 1pp6 s PRO 2014Ca 0.71 0.31 0.00 0.00 0.04 0.00 0.00 61.00 62.06 1pp6 s PRO 2014Cb -0.02 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1pp6 s PRO 2014CO 0.50 0.44 0.00 -1.91 0.04 0.00 0.00 177.00 176.07 1pp6 n GLU 2015N 2.76 0.00 0.00 4.56 2.13 -1.26 -0.36 120.64 128.47 1pp6 n GLU 2015Ca -0.12 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.70 1pp6 n GLU 2015Cb 0.52 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.23 1pp6 n GLU 2015CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1pp6 n ASP 2016N -1.80 0.00 -0.00 4.31 8.00 -1.26 -0.80 116.55 125.00 1pp6 n ASP 2016Ca 0.00 0.16 0.05 0.00 0.71 0.00 0.00 54.79 55.71 1pp6 n ASP 2016Cb 0.00 -0.16 -0.07 0.00 -0.02 0.00 0.00 41.12 40.87 1pp6 n ASP 2016CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1pp6 n LEU 2017N -1.08 0.26 -0.03 0.64 4.77 0.51 -4.77 117.00 117.30 1pp6 n LEU 2017Ca 0.00 -0.27 -0.08 0.00 -0.03 0.00 0.00 56.01 55.62 1pp6 n LEU 2017Cb 0.19 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 1pp6 n LEU 2017CO 0.00 0.06 0.79 0.40 -1.33 0.00 0.00 177.39 177.32 1pp6 h ILE 2018N 0.00 0.69 -0.89 -0.08 2.04 -1.07 -2.40 117.51 115.81 1pp6 h ILE 2018Ca 0.00 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.01 1pp6 h ILE 2018Cb 0.34 0.69 -0.15 0.00 -0.74 0.00 0.00 36.82 36.96 1pp6 h ILE 2018CO 0.00 0.00 -0.35 -0.65 0.00 0.00 0.00 178.15 177.15 1pp6 h PRO 2019N -0.08 -0.04 -0.79 2.37 0.11 -1.86 0.87 132.00 132.58 1pp6 h PRO 2019Ca 0.11 0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.31 1pp6 h PRO 2019Cb 0.24 0.01 -0.07 0.00 0.11 0.00 0.00 31.00 31.28 1pp6 h PRO 2019CO -0.24 -0.02 0.44 0.77 -0.21 0.00 0.00 178.00 178.73 1pp6 h SER 2020N -0.04 0.62 -0.13 -2.05 0.02 -1.73 0.30 113.55 110.54 1pp6 h SER 2020Ca 0.34 0.05 0.04 0.00 -0.84 0.00 0.00 61.79 61.37 1pp6 h SER 2020Cb 0.60 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 1pp6 h SER 2020CO -0.91 0.35 0.12 0.77 -1.14 0.00 0.00 176.83 176.02 1pp6 h SER 2021N 0.74 0.00 -0.15 3.07 4.64 0.11 -2.69 113.55 119.27 1pp6 h SER 2021Ca 0.38 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.62 1pp6 h SER 2021Cb 0.36 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1pp6 h SER 2021CO -0.25 0.00 -0.22 0.40 -0.87 0.00 0.00 176.83 175.89 1pp6 h ILE 2022N 0.00 1.35 -0.28 0.95 1.08 0.30 -2.73 117.51 118.19 1pp6 h ILE 2022Ca 0.06 -1.43 0.05 0.00 -0.39 0.00 0.00 64.86 63.15 1pp6 h ILE 2022Cb 0.29 1.92 -0.05 0.00 -3.07 0.00 0.00 36.82 35.91 1pp6 h ILE 2022CO -0.00 0.43 -0.05 1.56 -0.69 0.00 0.00 178.15 179.39 1pp6 h GLN 2023N 0.04 0.02 -0.09 2.37 1.08 -1.41 1.31 115.11 118.43 1pp6 h GLN 2023Ca 0.02 -0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.24 1pp6 h GLN 2023Cb 0.78 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.20 1pp6 h GLN 2023CO 0.05 0.01 0.36 0.28 -0.95 0.00 0.00 178.83 178.58 1pp6 h VAL 2024N 0.02 0.09 0.04 -0.54 2.07 -1.45 2.70 116.25 119.19 1pp6 h VAL 2024Ca 0.14 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.36 1pp6 h VAL 2024Cb 0.20 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1pp6 h VAL 2024CO -0.27 0.00 -1.67 0.25 0.02 0.00 0.00 177.57 175.90 1pp6 h LEU 2025N 0.00 0.12 0.00 2.57 7.12 0.15 -3.38 115.31 121.88 1pp6 h LEU 2025Ca 0.04 -0.23 0.00 0.00 0.13 0.00 0.00 57.88 57.83 1pp6 h LEU 2025Cb 0.76 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.85 1pp6 h LEU 2025CO -0.00 1.20 0.00 0.29 -0.13 0.00 0.00 178.44 179.80 1pp6 n LYS 2026N -3.19 0.00 -0.27 1.25 5.02 0.84 -3.49 118.16 118.31 1pp6 n LYS 2026Ca -0.18 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 1pp6 n LYS 2026Cb 1.04 -0.87 0.00 0.00 -0.02 0.00 0.00 35.03 35.18 1pp6 n LYS 2026CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1pp6 n PHE 2027N -0.58 0.00 -0.09 2.13 7.35 0.27 0.13 117.46 126.67 1pp6 n PHE 2027Ca 0.00 -0.19 0.00 0.00 -0.76 0.00 0.00 57.45 56.50 1pp6 n PHE 2027Cb 0.00 -0.38 0.00 0.00 0.35 0.00 0.00 39.48 39.45 1pp6 n PHE 2027CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1pp6 n SER 2028N 3.43 0.00 0.02 -2.13 7.64 -1.25 -4.84 113.62 116.49 1pp6 n SER 2028Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.66 1pp6 n SER 2028Cb 0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.06 1pp6 n SER 2028CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1pp6 h GLY 2029N 0.00 0.34 -2.74 0.23 0.00 0.11 -3.32 103.07 97.69 1pp6 h GLY 2029Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 47.33 46.47 1pp6 h GLY 2029CO 0.00 0.75 0.00 1.17 0.00 0.00 0.00 176.54 178.46 1pp6 n LYS 2030N -3.63 0.69 -0.94 4.80 3.00 -1.24 -2.82 118.16 118.02 1pp6 n LYS 2030Ca -0.29 0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.02 1pp6 n LYS 2030Cb 1.02 -1.16 -0.01 0.00 0.00 0.00 0.00 35.03 34.88 1pp6 n LYS 2030CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1pp6 n TYR 2031N 1.22 0.00 -4.08 5.64 4.01 -1.25 -5.08 117.16 117.62 1pp6 n TYR 2031Ca 0.00 -0.27 -0.31 0.00 -0.16 0.00 0.00 57.90 57.16 1pp6 n TYR 2031Cb 0.34 0.08 -0.07 0.00 -0.31 0.00 0.00 39.34 39.38 1pp6 n TYR 2031CO 0.00 0.00 0.00 -0.48 -0.46 0.00 0.00 176.86 175.92 1pp6 s LEU 2032N 0.00 3.72 -0.96 7.72 2.34 -1.13 -0.13 118.68 130.24 1pp6 s LEU 2032Ca 0.12 -0.04 -0.21 0.00 0.06 0.00 0.00 54.13 54.06 1pp6 s LEU 2032Cb 0.13 -2.39 0.09 0.00 -0.56 0.00 0.00 46.19 43.46 1pp6 s LEU 2032CO -0.06 0.18 1.29 -0.75 -1.06 0.00 0.00 176.35 175.96 1pp6 s LYS 2033N -2.29 3.57 -0.18 1.48 2.20 0.27 -4.60 119.74 120.20 1pp6 s LYS 2033Ca 0.28 -1.38 -0.28 0.00 -0.36 0.00 0.00 55.97 54.22 1pp6 s LYS 2033Cb -0.12 -5.11 -0.05 0.00 -1.51 0.00 0.00 37.83 31.04 1pp6 s LYS 2033CO 0.20 -2.00 2.11 -0.51 -0.36 0.00 0.00 175.35 174.79 1pp6 s LEU 2034N 3.94 3.67 0.00 5.43 1.02 -1.26 -3.14 118.68 128.33 1pp6 s LEU 2034Ca 0.39 1.99 0.01 0.00 0.02 0.00 0.00 54.13 56.55 1pp6 s LEU 2034Cb -0.03 -3.52 0.01 0.00 0.02 0.00 0.00 46.19 42.68 1pp6 s LEU 2034CO -0.09 -1.73 0.12 1.21 0.02 0.00 0.00 176.35 175.89 1pp6 n GLU 2035N 8.44 1.00 -1.49 1.70 2.13 -1.06 -4.98 120.64 126.38 1pp6 n GLU 2035Ca 0.27 -2.68 -0.16 0.00 0.66 0.00 0.00 57.16 55.24 1pp6 n GLU 2035Cb 0.44 0.55 -0.15 0.00 0.27 0.00 0.00 31.44 32.56 1pp6 n GLU 2035CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1pp6 n GLN 2036N -1.15 0.22 0.00 5.31 10.64 -1.26 -2.53 117.38 128.61 1pp6 n GLN 2036Ca -0.10 -0.43 0.00 0.00 -1.83 0.00 0.00 57.00 54.64 1pp6 n GLN 2036Cb 0.47 -2.23 0.00 0.00 -0.86 0.00 0.00 30.24 27.62 1pp6 n GLN 2036CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1pp6 n ASP 2037N 11.48 0.00 -3.92 2.61 4.64 -1.26 -4.89 116.55 125.21 1pp6 n ASP 2037Ca 0.53 0.00 -0.29 0.00 -1.38 0.00 0.00 54.79 53.66 1pp6 n ASP 2037Cb 0.30 -0.80 -0.16 0.00 -1.04 0.00 0.00 41.12 39.41 1pp6 n ASP 2037CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 1pp6 s LYS 2038N 0.00 1.60 -0.12 -0.67 3.01 -1.05 -5.03 119.74 117.48 1pp6 s LYS 2038Ca 0.00 -0.57 -0.05 0.00 -1.01 0.00 0.00 55.97 54.33 1pp6 s LYS 2038Cb 0.00 -2.08 -0.04 0.00 -1.01 0.00 0.00 37.83 34.71 1pp6 s LYS 2038CO 0.00 -0.42 0.09 0.00 0.51 0.00 0.00 175.35 175.53 1pp6 s ALA 2039N 1.58 3.63 0.22 5.17 0.00 -1.26 -2.55 121.76 128.55 1pp6 s ALA 2039Ca 0.01 -0.71 0.05 0.00 0.00 0.00 0.00 51.96 51.31 1pp6 s ALA 2039Cb -0.15 -1.81 -0.05 0.00 0.00 0.00 0.00 23.12 21.11 1pp6 s ALA 2039CO -0.08 0.56 -0.06 0.71 0.00 0.00 0.00 175.76 176.88 1pp6 s TYR 2040N -0.82 1.61 -0.03 0.00 2.02 -1.19 -4.79 117.35 114.15 1pp6 s TYR 2040Ca 0.13 -0.77 -0.30 0.00 -0.37 0.00 0.00 57.07 55.76 1pp6 s TYR 2040Cb -0.12 -0.87 -0.05 0.00 -0.40 0.00 0.00 41.96 40.52 1pp6 s TYR 2040CO 0.03 0.13 1.40 0.12 -1.57 0.00 0.00 175.55 175.67 1pp6 s PHE 2041N -3.22 2.77 -1.15 2.71 2.19 -1.26 0.94 117.98 120.96 1pp6 s PHE 2041Ca 0.25 0.79 -0.19 0.00 0.33 0.00 0.00 56.93 58.11 1pp6 s PHE 2041Cb 0.03 -3.66 0.09 0.00 -1.31 0.00 0.00 43.02 38.18 1pp6 s PHE 2041CO 0.07 -2.46 1.51 0.34 1.83 0.00 0.00 175.22 176.51 1pp6 s ASP 2042N 2.04 6.77 0.04 6.13 2.15 0.82 -4.61 116.67 130.00 1pp6 s ASP 2042Ca 0.63 -2.23 -0.17 0.00 0.43 0.00 0.00 52.55 51.21 1pp6 s ASP 2042Cb -0.30 -2.51 -0.08 0.00 -0.30 0.00 0.00 42.92 39.73 1pp6 s ASP 2042CO 0.25 -1.16 1.26 -0.50 -0.17 0.00 0.00 175.17 174.85 1pp6 h TRP 2043N 8.28 -0.68 -0.88 -5.34 -0.00 -1.91 0.71 115.95 116.13 1pp6 h TRP 2043Ca 0.31 0.01 0.17 0.00 -0.00 0.00 0.00 58.89 59.38 1pp6 h TRP 2043Cb 0.93 0.27 -0.16 0.00 -0.00 0.00 0.00 29.16 30.20 1pp6 h TRP 2043CO 1.28 -0.30 -0.25 -1.35 -0.00 0.00 0.00 178.44 177.81 1pp6 h PRO 2044N -0.43 -0.01 -0.56 0.49 0.11 -1.94 0.93 132.00 130.58 1pp6 h PRO 2044Ca -0.02 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 1pp6 h PRO 2044Cb 0.39 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.48 1pp6 h PRO 2044CO -0.06 -0.01 0.31 0.78 -0.21 0.00 0.00 178.00 178.81 1pp6 h GLY 2045N -0.01 0.82 0.74 -0.55 0.00 -1.80 -2.84 103.07 99.42 1pp6 h GLY 2045Ca 0.40 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 1pp6 h GLY 2045CO -0.90 0.34 -0.05 -2.75 0.00 0.00 0.00 176.54 173.17 1pp6 h PHE 2046N 0.78 -0.13 -0.04 5.60 3.57 0.33 -3.14 116.94 123.90 1pp6 h PHE 2046Ca 0.20 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.71 1pp6 h PHE 2046Cb 0.01 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 1pp6 h PHE 2046CO 0.00 0.15 -0.26 0.87 -2.23 0.00 0.00 178.31 176.84 1pp6 h LYS 2047N -0.40 -0.29 0.00 1.11 1.57 -0.95 0.14 116.57 117.75 1pp6 h LYS 2047Ca -0.01 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1pp6 h LYS 2047Cb 0.34 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1pp6 h LYS 2047CO 0.02 -0.19 0.27 2.41 -0.57 0.00 0.00 179.45 181.39 1pp6 n THR 2048N -3.94 0.84 -0.03 -0.16 -1.04 -1.09 0.15 114.28 109.01 1pp6 n THR 2048Ca -0.03 0.48 -0.19 0.00 -2.04 0.00 0.00 64.05 62.26 1pp6 n THR 2048Cb 0.19 -1.48 -0.13 0.00 -1.82 0.00 0.00 70.33 67.08 1pp6 n THR 2048CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1pp6 n ALA 2049N -1.20 1.08 -0.08 2.41 0.00 0.42 -3.37 120.51 119.78 1pp6 n ALA 2049Ca 0.00 -0.76 -0.08 0.00 0.00 0.00 0.00 53.44 52.60 1pp6 n ALA 2049Cb 0.27 -0.53 -0.01 0.00 0.00 0.00 0.00 19.45 19.18 1pp6 n ALA 2049CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1pp6 h ILE 2050N 0.05 0.99 -0.31 0.00 1.08 0.22 -1.11 117.51 118.42 1pp6 h ILE 2050Ca -0.46 -0.10 0.07 0.00 -0.39 0.00 0.00 64.86 63.98 1pp6 h ILE 2050Cb 2.00 0.67 -0.01 0.00 -3.07 0.00 0.00 36.82 36.41 1pp6 h ILE 2050CO 0.04 0.05 0.22 0.44 -0.69 0.00 0.00 178.15 178.22 1pp6 h ASP 2051N 0.30 0.09 1.31 1.72 3.45 -1.53 0.16 116.42 121.92 1pp6 h ASP 2051Ca 0.12 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.54 1pp6 h ASP 2051Cb 0.04 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 38.78 1pp6 h ASP 2051CO -0.08 0.06 -0.18 0.78 -1.57 0.00 0.00 179.24 178.25 1pp6 h ASN 2052N 0.11 0.00 -3.93 6.45 -0.26 -1.23 -3.44 115.58 113.27 1pp6 h ASN 2052Ca 0.14 0.00 -0.51 0.00 -0.56 0.00 0.00 56.30 55.37 1pp6 h ASN 2052Cb 0.44 0.00 0.05 0.00 -1.06 0.00 0.00 38.32 37.75 1pp6 h ASN 2052CO -0.02 0.18 0.52 -0.47 -1.06 0.00 0.00 177.43 176.58 1pp6 s TYR 2053N -3.42 3.05 0.00 1.19 6.14 0.57 -4.95 117.35 119.94 1pp6 s TYR 2053Ca 0.03 1.53 0.00 0.00 0.64 0.00 0.00 57.07 59.27 1pp6 s TYR 2053Cb 0.08 -3.44 0.00 0.00 0.42 0.00 0.00 41.96 39.02 1pp6 s TYR 2053CO 0.65 -1.41 0.00 2.41 0.64 0.00 0.00 175.55 177.83 1pp6 n THR 2054N 0.16 0.00 -0.55 4.34 -1.04 -1.26 -5.01 114.28 110.92 1pp6 n THR 2054Ca 0.04 -0.06 -0.27 0.00 -2.04 0.00 0.00 64.05 61.71 1pp6 n THR 2054Cb 0.46 0.43 0.19 0.00 -1.82 0.00 0.00 70.33 69.59 1pp6 n THR 2054CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1pp6 n GLY 2055N 0.94 -2.66 0.10 3.41 0.00 -1.26 -4.91 105.19 100.81 1pp6 n GLY 2055Ca 0.00 -0.95 0.06 0.00 0.00 0.00 0.00 46.02 45.13 1pp6 n GLY 2055CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1pp6 n GLU 2056N -2.74 0.62 -0.25 1.61 0.28 -1.26 -4.18 120.64 114.71 1pp6 n GLU 2056Ca 0.04 0.15 0.04 0.00 -0.16 0.00 0.00 57.16 57.22 1pp6 n GLU 2056Cb 0.53 -1.80 0.17 0.00 1.43 0.00 0.00 31.44 31.77 1pp6 n GLU 2056CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1pp6 h ASP 2057N 0.00 0.39 -1.98 -1.84 3.45 -1.91 -3.43 116.42 111.09 1pp6 h ASP 2057Ca -0.08 0.08 -0.61 0.00 0.43 0.00 0.00 57.03 56.85 1pp6 h ASP 2057Cb 1.27 0.03 -0.13 0.00 -0.56 0.00 0.00 39.33 39.93 1pp6 h ASP 2057CO 0.02 0.19 -0.69 -0.22 -1.57 0.00 0.00 179.24 176.97 1pp6 s LEU 2058N -10.38 2.74 0.00 1.55 0.20 -1.26 -0.14 118.68 111.39 1pp6 s LEU 2058Ca -0.12 -1.14 0.00 0.00 0.69 0.00 0.00 54.13 53.55 1pp6 s LEU 2058Cb 0.19 -1.06 0.00 0.00 -0.43 0.00 0.00 46.19 44.89 1pp6 s LEU 2058CO 0.76 -0.17 0.00 -0.24 -0.29 0.00 0.00 176.35 176.42 1pp6 n SER 2059N -0.78 0.00 -4.52 3.68 2.88 -1.24 -4.71 113.62 108.93 1pp6 n SER 2059Ca -0.05 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.11 1pp6 n SER 2059Cb 0.63 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.13 1pp6 n SER 2059CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1pp6 n PHE 2060N 0.00 -0.17 0.00 0.66 7.35 -1.26 -3.26 117.46 120.77 1pp6 n PHE 2060Ca 0.00 0.44 0.00 0.00 -0.76 0.00 0.00 57.45 57.13 1pp6 n PHE 2060Cb 0.00 -2.01 0.00 0.00 0.35 0.00 0.00 39.48 37.82 1pp6 n PHE 2060CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1pp6 n ASP 2061N 0.00 0.27 0.00 -2.13 -0.08 -1.23 -4.88 116.55 108.50 1pp6 n ASP 2061Ca 0.12 -0.01 0.00 0.00 -1.51 0.00 0.00 54.79 53.39 1pp6 n ASP 2061Cb 0.48 0.08 0.00 0.00 2.34 0.00 0.00 41.12 44.01 1pp6 n ASP 2061CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1pp6 n LYS 2062N -0.11 0.00 -3.72 -0.67 4.81 -1.23 -5.02 118.16 112.23 1pp6 n LYS 2062Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 1pp6 n LYS 2062Cb 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 34.95 1pp6 n LYS 2062CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1pp6 s TYR 2063N -2.00 -0.52 0.10 5.64 5.04 -1.26 -0.21 117.35 124.15 1pp6 s TYR 2063Ca 0.00 1.18 -0.17 0.00 -2.44 0.00 0.00 57.07 55.63 1pp6 s TYR 2063Cb 0.00 0.20 0.04 0.00 0.35 0.00 0.00 41.96 42.55 1pp6 s TYR 2063CO 0.00 -0.27 0.42 0.34 -1.34 0.00 0.00 175.55 174.70 1pp6 s ASP 2064N 0.77 -0.27 0.18 4.32 3.68 -0.10 -5.00 116.67 120.24 1pp6 s ASP 2064Ca -0.04 -0.19 -0.14 0.00 2.13 0.00 0.00 52.55 54.30 1pp6 s ASP 2064Cb -0.05 0.47 0.02 0.00 -1.45 0.00 0.00 42.92 41.90 1pp6 s ASP 2064CO -0.06 -0.80 0.43 0.00 0.13 0.00 0.00 175.17 174.88 1pp6 s GLN 2065N -3.35 1.27 0.20 4.34 -2.07 -1.26 -1.53 119.66 117.26 1pp6 s GLN 2065Ca 0.00 -0.95 -0.23 0.00 -1.82 0.00 0.00 55.36 52.36 1pp6 s GLN 2065Cb 0.01 0.47 0.05 0.00 -1.09 0.00 0.00 33.01 32.44 1pp6 s GLN 2065CO -0.09 -0.51 0.75 0.45 -1.32 0.00 0.00 175.29 174.57 1pp6 s SER 2066N -2.90 -0.34 0.06 12.60 0.15 -0.26 -5.01 113.70 118.01 1pp6 s SER 2066Ca 0.11 -0.36 0.03 0.00 0.70 0.00 0.00 55.95 56.43 1pp6 s SER 2066Cb 0.01 0.62 -0.03 0.00 -1.71 0.00 0.00 66.02 64.91 1pp6 s SER 2066CO -0.03 -1.11 -0.10 -0.89 1.20 0.00 0.00 173.24 172.31 1pp6 s THR 2067N -3.69 0.80 -0.22 6.45 2.01 -1.26 -0.79 115.64 118.93 1pp6 s THR 2067Ca 0.08 -1.25 -0.02 0.00 0.31 0.00 0.00 61.69 60.81 1pp6 s THR 2067Cb -0.03 -0.89 0.01 0.00 0.01 0.00 0.00 72.50 71.59 1pp6 s THR 2067CO -0.00 -0.36 -0.08 -0.63 -0.69 0.00 0.00 174.62 172.86 1pp6 s ILE 2068N -1.52 2.96 0.89 1.82 1.01 0.13 -5.00 121.20 121.48 1pp6 s ILE 2068Ca -0.05 -0.74 -0.12 0.00 0.00 0.00 0.00 60.65 59.74 1pp6 s ILE 2068Cb -0.09 -2.38 0.10 0.00 0.01 0.00 0.00 42.46 40.10 1pp6 s ILE 2068CO 0.01 0.38 0.97 -3.20 0.00 0.00 0.00 174.94 173.10 1pp6 n ASN 2069N 4.72 -0.10 -4.64 3.58 5.15 -1.26 -2.68 115.26 120.04 1pp6 n ASN 2069Ca -0.18 0.45 -0.43 0.00 -0.60 0.00 0.00 54.58 53.82 1pp6 n ASN 2069Cb 0.50 -1.41 -0.02 0.00 -0.53 0.00 0.00 39.78 38.31 1pp6 n ASN 2069CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1pp6 s GLN 2070N -4.19 4.07 0.28 1.20 -0.44 -1.15 -4.41 119.66 115.02 1pp6 s GLN 2070Ca 0.66 1.23 -0.08 0.00 -2.50 0.00 0.00 55.36 54.67 1pp6 s GLN 2070Cb -0.25 -3.77 -0.00 0.00 -1.64 0.00 0.00 33.01 27.35 1pp6 s GLN 2070CO 0.58 -0.90 0.45 -0.65 0.50 0.00 0.00 175.29 175.27 1pp6 s GLN 2071N 3.72 1.67 -1.25 1.67 1.11 -0.97 -4.86 119.66 120.75 1pp6 s GLN 2071Ca 0.49 -1.48 -0.14 0.00 0.01 0.00 0.00 55.36 54.25 1pp6 s GLN 2071Cb -0.15 0.45 0.15 0.00 -1.01 0.00 0.00 33.01 32.44 1pp6 s GLN 2071CO 0.16 -0.68 1.59 0.43 0.01 0.00 0.00 175.29 176.79 1pp6 n SER 2072N -0.77 5.10 -4.98 5.90 7.64 -1.26 -0.66 113.62 124.59 1pp6 n SER 2072Ca -0.01 -2.98 -0.22 0.00 1.01 0.00 0.00 58.87 56.68 1pp6 n SER 2072Cb 0.62 -1.60 0.03 0.00 -1.01 0.00 0.00 64.21 62.26 1pp6 n SER 2072CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pp6 s GLN 2073N 2.02 2.31 -0.01 1.43 -2.07 -1.16 -4.77 119.66 117.41 1pp6 s GLN 2073Ca 0.45 -1.76 0.04 0.00 -1.82 0.00 0.00 55.36 52.27 1pp6 s GLN 2073Cb 0.01 -2.45 -0.03 0.00 -1.09 0.00 0.00 33.01 29.45 1pp6 s GLN 2073CO 0.02 -0.74 -0.12 -1.83 -1.32 0.00 0.00 175.29 171.30 1pp6 s GLU 2074N -4.51 2.45 0.26 9.60 1.03 -1.26 -1.26 118.70 125.00 1pp6 s GLU 2074Ca 0.51 -0.76 -0.06 0.00 0.03 0.00 0.00 54.97 54.70 1pp6 s GLU 2074Cb -0.05 -2.40 0.48 0.00 -0.80 0.00 0.00 34.13 31.36 1pp6 s GLU 2074CO 0.32 0.60 1.61 0.28 -1.33 0.00 0.00 175.26 176.74 1pp6 h VAL 2075N 4.02 0.23 -0.47 1.83 2.07 0.81 0.42 116.25 125.17 1pp6 h VAL 2075Ca -0.48 -0.02 0.08 0.00 0.82 0.00 0.00 66.70 67.10 1pp6 h VAL 2075Cb 1.16 0.17 -0.07 0.00 -1.52 0.00 0.00 31.29 31.03 1pp6 h VAL 2075CO 0.51 0.01 0.07 1.23 0.02 0.00 0.00 177.57 179.41 1pp6 h GLY 2076N 0.06 0.54 0.00 2.17 0.00 0.28 -0.50 103.07 105.61 1pp6 h GLY 2076Ca 0.44 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1pp6 h GLY 2076CO -0.77 -0.08 0.00 0.00 0.00 0.00 0.00 176.54 175.70 1pp6 n ALA 2077N -2.53 -0.35 -0.36 3.60 0.00 0.13 -2.49 120.51 118.51 1pp6 n ALA 2077Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.42 1pp6 n ALA 2077Cb 0.23 0.06 -0.04 0.00 0.00 0.00 0.00 19.45 19.70 1pp6 n ALA 2077CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1pp6 n MET 2078N -1.86 -0.32 -0.32 0.00 1.56 -0.15 0.73 117.12 116.75 1pp6 n MET 2078Ca 0.00 1.35 0.11 0.00 -0.27 0.00 0.00 57.70 58.89 1pp6 n MET 2078Cb 0.00 -1.99 0.33 0.00 2.15 0.00 0.00 33.22 33.71 1pp6 n MET 2078CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 1pp6 h VAL 2079N 0.00 0.82 0.37 1.12 2.07 -1.14 0.27 116.25 119.75 1pp6 h VAL 2079Ca 0.21 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1pp6 h VAL 2079Cb 0.43 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1pp6 h VAL 2079CO -0.85 0.14 -0.18 -0.78 0.02 0.00 0.00 177.57 175.93 1pp6 h ASP 2080N 0.79 -0.42 -0.27 0.57 3.58 0.62 -0.86 116.42 120.43 1pp6 h ASP 2080Ca 0.50 -0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.97 1pp6 h ASP 2080Cb 0.73 0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.87 1pp6 h ASP 2080CO -0.27 -0.28 0.18 0.50 -2.88 0.00 0.00 179.24 176.50 1pp6 h LYS 2081N -0.52 0.27 -0.12 0.28 3.64 -0.19 0.16 116.57 120.10 1pp6 h LYS 2081Ca -0.05 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 1pp6 h LYS 2081Cb 0.40 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1pp6 h LYS 2081CO 0.08 0.18 -0.11 0.82 -2.27 0.00 0.00 179.45 178.15 1pp6 h ILE 2082N 0.28 1.35 -0.19 2.00 2.04 -0.03 -3.31 117.51 119.66 1pp6 h ILE 2082Ca 0.11 -1.27 -0.06 0.00 1.00 0.00 0.00 64.86 64.65 1pp6 h ILE 2082Cb 0.10 1.92 -0.00 0.00 -0.74 0.00 0.00 36.82 38.09 1pp6 h ILE 2082CO -0.02 0.36 -0.11 0.00 0.00 0.00 0.00 178.15 178.38 1pp6 h ALA 2083N 0.59 0.27 0.00 1.87 0.00 -0.62 -3.18 119.26 118.18 1pp6 h ALA 2083Ca 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1pp6 h ALA 2083Cb 0.63 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1pp6 h ALA 2083CO 0.03 0.11 0.00 1.17 0.00 0.00 0.00 179.25 180.56 1pp6 n LYS 2084N -4.56 0.01 0.00 0.00 4.81 0.52 -1.23 118.16 117.72 1pp6 n LYS 2084Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 1pp6 n LYS 2084Cb 0.33 -1.09 0.00 0.00 0.02 0.00 0.00 35.03 34.30 1pp6 n LYS 2084CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1pp6 n PHE 2085N -0.59 0.00 -0.07 5.64 7.35 -1.20 -4.00 117.46 124.59 1pp6 n PHE 2085Ca 0.00 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.67 1pp6 n PHE 2085Cb 0.00 0.01 0.21 0.00 0.35 0.00 0.00 39.48 40.06 1pp6 n PHE 2085CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1pp6 h LEU 2086N 0.00 0.66 0.60 -2.13 3.38 -1.53 0.24 115.31 116.53 1pp6 h LEU 2086Ca 0.00 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1pp6 h LEU 2086Cb 0.95 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.53 1pp6 h LEU 2086CO 0.00 0.72 -0.29 -0.74 0.09 0.00 0.00 178.44 178.22 1pp6 h HIS 2087N 0.66 -0.75 0.00 1.13 2.76 -1.42 1.61 115.15 119.14 1pp6 h HIS 2087Ca 0.13 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 1pp6 h HIS 2087Cb 0.39 0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.59 1pp6 h HIS 2087CO 0.02 -0.45 0.00 -0.25 -1.30 0.00 0.00 177.93 175.95 1pp6 n ASP 2088N -5.42 0.00 0.00 3.26 8.00 -0.94 0.25 116.55 121.70 1pp6 n ASP 2088Ca -0.13 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 54.73 1pp6 n ASP 2088Cb 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 1pp6 n ASP 2088CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pp6 n ALA 2089N -0.98 1.99 -1.85 2.24 0.00 0.81 -4.69 120.51 118.02 1pp6 n ALA 2089Ca 0.14 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.61 1pp6 n ALA 2089Cb 0.07 0.10 0.04 0.00 0.00 0.00 0.00 19.45 19.66 1pp6 n ALA 2089CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1pp6 n PHE 2090N -1.69 0.00 -0.44 0.00 3.72 0.54 -4.79 117.46 114.80 1pp6 n PHE 2090Ca 0.00 -0.36 0.35 0.00 -0.05 0.00 0.00 57.45 57.39 1pp6 n PHE 2090Cb 0.20 -0.10 0.58 0.00 -0.94 0.00 0.00 39.48 39.22 1pp6 n PHE 2090CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pp6 n ALA 2091N -0.29 1.22 0.00 4.37 0.00 0.70 0.20 120.51 126.71 1pp6 n ALA 2091Ca 0.05 0.64 0.00 0.00 0.00 0.00 0.00 53.44 54.13 1pp6 n ALA 2091Cb 0.75 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.34 1pp6 n ALA 2091CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pp6 n ALA 2092N -2.60 1.47 0.00 0.00 0.00 -1.26 -0.73 120.51 117.38 1pp6 n ALA 2092Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1pp6 n ALA 2092Cb 1.36 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1pp6 n ALA 2092CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1pp6 n VAL 2093N 0.98 0.00 -4.51 0.00 3.14 0.53 -4.93 118.33 113.54 1pp6 n VAL 2093Ca 0.00 0.00 -0.21 0.00 -2.96 0.00 0.00 64.34 61.17 1pp6 n VAL 2093Cb 0.00 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 32.63 1pp6 n VAL 2093CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1pp6 s VAL 2094N 0.00 0.93 -0.27 1.55 1.01 0.09 -4.78 120.40 118.93 1pp6 s VAL 2094Ca 0.00 -0.47 0.22 0.00 0.00 0.00 0.00 61.98 61.73 1pp6 s VAL 2094Cb 0.00 -0.80 0.50 0.00 0.00 0.00 0.00 36.38 36.08 1pp6 s VAL 2094CO 0.00 0.28 1.13 0.47 0.00 0.00 0.00 175.10 176.98 1pp6 n ASP 2095N 3.06 1.39 0.00 3.32 8.00 -1.26 -4.13 116.55 126.92 1pp6 n ASP 2095Ca -0.16 -2.05 0.00 0.00 0.71 0.00 0.00 54.79 53.29 1pp6 n ASP 2095Cb 0.55 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 1pp6 n ASP 2095CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1pp6 n LEU 2096N -0.65 0.00 0.00 0.64 0.00 -1.26 -4.60 117.00 111.14 1pp6 n LEU 2096Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.07 1pp6 n LEU 2096Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.23 1pp6 n LEU 2096CO 0.06 0.00 0.00 -1.20 0.00 0.00 0.00 177.39 176.25 1pp6 n SER 2097N -3.03 0.00 0.23 1.96 7.64 -1.26 -2.73 113.62 116.43 1pp6 n SER 2097Ca 0.00 0.00 0.07 0.00 1.01 0.00 0.00 58.87 59.95 1pp6 n SER 2097Cb 0.00 0.00 0.56 0.00 -1.01 0.00 0.00 64.21 63.76 1pp6 n SER 2097CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1pp6 h LYS 2098N 0.00 0.00 0.00 1.43 1.63 -2.01 -2.76 116.57 114.86 1pp6 h LYS 2098Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1pp6 h LYS 2098Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1pp6 h LYS 2098CO 0.00 0.16 0.00 -0.11 -3.45 0.00 0.00 179.45 176.05 1pp6 n LEU 2099N -4.19 0.17 0.00 5.20 7.94 -1.11 -2.94 117.00 122.07 1pp6 n LEU 2099Ca -0.02 0.72 0.00 0.00 -1.11 0.00 0.00 56.01 55.60 1pp6 n LEU 2099Cb 0.23 -0.43 0.00 0.00 0.53 0.00 0.00 43.42 43.75 1pp6 n LEU 2099CO 0.35 -0.43 0.35 0.00 -1.11 0.00 0.00 177.39 176.54 1pp6 n ALA 2100N -1.79 0.58 -0.03 1.96 0.00 -1.22 -1.00 120.51 119.01 1pp6 n ALA 2100Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1pp6 n ALA 2100Cb 0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 19.45 18.89 1pp6 n ALA 2100CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pp6 h ALA 2101N 0.97 -0.06 -0.01 0.00 0.00 -1.37 -3.22 119.26 115.57 1pp6 h ALA 2101Ca 0.00 -0.28 -0.18 0.00 0.00 0.00 0.00 54.91 54.46 1pp6 h ALA 2101Cb 0.31 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1pp6 h ALA 2101CO 0.00 -0.09 -0.79 0.82 0.00 0.00 0.00 179.25 179.19 1pp6 h ILE 2102N -0.95 1.50 0.00 0.00 5.03 -1.09 -1.57 117.51 120.43 1pp6 h ILE 2102Ca -0.01 -2.51 0.00 0.00 -0.12 0.00 0.00 64.86 62.22 1pp6 h ILE 2102Cb 0.57 2.37 0.00 0.00 -3.03 0.00 0.00 36.82 36.73 1pp6 h ILE 2102CO 0.01 0.73 0.00 -0.38 -0.68 0.00 0.00 178.15 177.83 1pp6 n ILE 2103N -3.68 0.20 -0.02 -0.67 5.41 -1.07 -1.99 119.36 117.53 1pp6 n ILE 2103Ca -0.02 0.05 0.02 0.00 1.00 0.00 0.00 62.75 63.79 1pp6 n ILE 2103Cb 0.75 -0.72 -0.08 0.00 -0.71 0.00 0.00 39.64 38.88 1pp6 n ILE 2103CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1pp6 n LEU 2104N -1.15 0.00 0.06 1.39 7.94 -0.99 -4.18 117.00 120.08 1pp6 n LEU 2104Ca 0.12 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.95 1pp6 n LEU 2104Cb 0.12 0.08 -0.05 0.00 0.53 0.00 0.00 43.42 44.10 1pp6 n LEU 2104CO 0.14 0.08 0.26 0.78 -1.11 0.00 0.00 177.39 177.53 1pp6 h ASN 2105N 0.00 -0.21 -0.38 1.96 4.21 -0.89 -2.26 115.58 118.00 1pp6 h ASN 2105Ca -0.09 -0.21 0.04 0.00 1.21 0.00 0.00 56.30 57.25 1pp6 h ASN 2105Cb 0.87 0.06 -0.07 0.00 -1.12 0.00 0.00 38.32 38.05 1pp6 h ASN 2105CO 0.01 0.32 -0.48 0.74 -1.29 0.00 0.00 177.43 176.73 1pp6 h THR 2106N -0.99 0.00 -0.49 2.81 2.02 -1.66 -1.59 112.91 113.01 1pp6 h THR 2106Ca -0.03 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.24 1pp6 h THR 2106Cb 0.42 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.75 1pp6 h THR 2106CO 0.04 0.00 0.07 -0.26 0.37 0.00 0.00 175.52 175.74 1pp6 h PHE 2107N -0.32 0.10 -0.15 3.16 0.04 -1.73 0.14 116.94 118.19 1pp6 h PHE 2107Ca 0.07 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.81 1pp6 h PHE 2107Cb 0.50 0.03 -0.04 0.00 2.20 0.00 0.00 35.95 38.65 1pp6 h PHE 2107CO -0.73 -0.04 0.08 0.25 -0.60 0.00 0.00 178.31 177.27 1pp6 n THR 2108N -5.15 1.09 -2.66 -1.55 -2.24 -0.84 -3.35 114.28 99.57 1pp6 n THR 2108Ca 0.05 -0.30 -0.04 0.00 -2.27 0.00 0.00 64.05 61.50 1pp6 n THR 2108Cb 0.25 -0.77 0.09 0.00 -2.10 0.00 0.00 70.33 67.79 1pp6 n THR 2108CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1pp6 n ASN 2109N 0.19 -1.42 0.21 3.42 5.03 0.36 -4.78 115.26 118.26 1pp6 n ASN 2109Ca 0.08 -2.08 0.10 0.00 0.87 0.00 0.00 54.58 53.56 1pp6 n ASN 2109Cb 0.61 0.80 0.29 0.00 -1.02 0.00 0.00 39.78 40.45 1pp6 n ASN 2109CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1pp6 h LEU 2110N 1.31 0.00 0.00 3.41 3.38 -1.21 -3.22 115.31 118.99 1pp6 h LEU 2110Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1pp6 h LEU 2110Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1pp6 h LEU 2110CO -0.13 0.15 0.00 1.21 0.09 0.00 0.00 178.44 179.77 1pp6 n GLU 2111N -3.18 0.00 0.00 1.13 2.13 -1.26 -1.00 120.64 118.46 1pp6 n GLU 2111Ca 0.02 0.04 0.02 0.00 0.66 0.00 0.00 57.16 57.90 1pp6 n GLU 2111Cb 0.52 -0.72 0.12 0.00 0.27 0.00 0.00 31.44 31.63 1pp6 n GLU 2111CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1pp6 n GLU 2112N -0.26 0.18 -0.04 5.31 0.00 -1.26 -1.55 120.64 123.03 1pp6 n GLU 2112Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 57.16 57.21 1pp6 n GLU 2112Cb 0.00 -1.35 0.07 0.00 0.00 0.00 0.00 31.44 30.16 1pp6 n GLU 2112CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1pp6 n GLU 2113N -0.85 2.13 0.04 3.44 2.13 -1.17 -4.71 120.64 121.66 1pp6 n GLU 2113Ca 0.03 -2.03 -0.20 0.00 0.66 0.00 0.00 57.16 55.62 1pp6 n GLU 2113Cb 0.01 -1.25 -0.12 0.00 0.27 0.00 0.00 31.44 30.36 1pp6 n GLU 2113CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1pp6 h SER 2114N 0.00 0.69 0.00 4.31 4.64 -0.01 -3.29 113.55 119.88 1pp6 h SER 2114Ca 0.00 -0.81 -0.08 0.00 -0.47 0.00 0.00 61.79 60.43 1pp6 h SER 2114Cb 0.75 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.60 1pp6 h SER 2114CO 0.00 1.41 -0.08 -1.54 -0.87 0.00 0.00 176.83 175.76 1pp6 n SER 2115N -4.02 3.70 -4.44 4.97 3.41 -1.26 -4.55 113.62 111.43 1pp6 n SER 2115Ca -0.12 -2.11 -0.33 0.00 -0.26 0.00 0.00 58.87 56.06 1pp6 n SER 2115Cb 0.82 -0.91 -0.14 0.00 -0.26 0.00 0.00 64.21 63.72 1pp6 n SER 2115CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1pp6 s SER 2116N 2.18 3.86 0.00 4.04 0.01 -1.24 -5.00 113.70 117.56 1pp6 s SER 2116Ca 0.29 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.29 1pp6 s SER 2116Cb 0.14 -0.87 0.00 0.00 0.21 0.00 0.00 66.02 65.49 1pp6 s SER 2116CO 0.00 0.32 0.32 0.61 0.41 0.00 0.00 173.24 174.90 1pp6 n GLY 2117N 2.49 0.00 0.00 3.44 0.00 -1.21 -1.20 105.19 108.72 1pp6 n GLY 2117Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1pp6 n GLY 2117CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1pp6 n PHE 2118N -0.80 0.00 -3.90 1.61 1.16 -0.88 -2.72 117.46 111.93 1pp6 n PHE 2118Ca 0.00 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.22 1pp6 n PHE 2118Cb 0.00 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 37.75 1pp6 n PHE 2118CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1pp6 s LEU 2119N -0.25 3.41 -0.20 5.98 1.43 -0.34 -1.46 118.68 127.25 1pp6 s LEU 2119Ca 0.00 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 1pp6 s LEU 2119Cb 0.00 -1.89 0.05 0.00 0.03 0.00 0.00 46.19 44.38 1pp6 s LEU 2119CO 0.00 0.03 -0.07 -1.58 0.23 0.00 0.00 176.35 174.95 1pp6 s GLN 2120N 1.24 1.74 0.41 1.70 2.00 -1.24 -4.69 119.66 120.82 1pp6 s GLN 2120Ca 0.04 -0.79 0.07 0.00 -2.00 0.00 0.00 55.36 52.68 1pp6 s GLN 2120Cb -0.15 -2.36 0.01 0.00 0.80 0.00 0.00 33.01 31.32 1pp6 s GLN 2120CO 0.03 -0.48 0.56 0.12 -0.50 0.00 0.00 175.29 175.01 1pp6 s PHE 2121N 1.46 2.89 0.00 1.67 5.36 -1.26 -1.95 117.98 126.15 1pp6 s PHE 2121Ca -0.02 -0.33 0.00 0.00 -0.96 0.00 0.00 56.93 55.62 1pp6 s PHE 2121Cb -0.17 -2.31 0.00 0.00 -0.34 0.00 0.00 43.02 40.21 1pp6 s PHE 2121CO -0.07 -0.35 0.00 -1.71 -1.46 0.00 0.00 175.22 171.63 1pp6 n ASN 2122N -1.83 0.00 -4.61 6.13 2.85 -1.25 -4.87 115.26 111.69 1pp6 n ASN 2122Ca 0.06 0.00 -0.25 0.00 -0.11 0.00 0.00 54.58 54.28 1pp6 n ASN 2122Cb 0.59 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.52 1pp6 n ASN 2122CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1pp6 s THR 2123N -1.23 2.56 -0.36 -0.44 -1.32 -1.26 -1.82 115.64 111.76 1pp6 s THR 2123Ca 0.00 -2.03 -0.03 0.00 -1.21 0.00 0.00 61.69 58.42 1pp6 s THR 2123Cb 0.00 -2.75 0.08 0.00 -1.51 0.00 0.00 72.50 68.32 1pp6 s THR 2123CO 0.00 -0.21 0.12 0.21 -2.21 0.00 0.00 174.62 172.53 1pp6 s ASN 2124N -3.69 5.14 0.58 8.08 3.84 -0.61 -4.93 114.94 123.35 1pp6 s ASN 2124Ca 0.34 -1.68 0.38 0.00 0.21 0.00 0.00 52.86 52.11 1pp6 s ASN 2124Cb 0.00 -1.79 1.93 0.00 -0.55 0.00 0.00 41.25 40.84 1pp6 s ASN 2124CO 0.19 -0.42 2.16 -0.55 -2.79 0.00 0.00 177.10 175.68 1pp6 h ASN 2125N 8.05 0.00 0.33 -4.21 -1.07 -1.97 0.32 115.58 117.02 1pp6 h ASN 2125Ca -0.17 0.00 -0.32 0.00 0.07 0.00 0.00 56.30 55.88 1pp6 h ASN 2125Cb 1.06 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 37.26 1pp6 h ASN 2125CO 0.63 0.00 -1.89 0.52 0.07 0.00 0.00 177.43 176.76 1pp6 n VAL 2126N -2.96 1.60 0.73 6.14 0.31 -1.26 -4.35 118.33 118.55 1pp6 n VAL 2126Ca -0.02 -0.77 0.10 0.00 -0.01 0.00 0.00 64.34 63.65 1pp6 n VAL 2126Cb 0.14 -1.09 -0.12 0.00 -0.91 0.00 0.00 33.84 31.87 1pp6 n VAL 2126CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1pp6 n LYS 2127N -3.08 0.18 -2.29 5.55 5.02 -1.09 -4.98 118.16 117.46 1pp6 n LYS 2127Ca -0.23 -0.05 -0.12 0.00 -2.02 0.00 0.00 58.31 55.89 1pp6 n LYS 2127Cb 1.07 -1.51 -0.00 0.00 -0.02 0.00 0.00 35.03 34.57 1pp6 n LYS 2127CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1pp6 n LYS 2128N -1.71 -1.20 -1.22 1.97 4.81 0.08 -5.01 118.16 115.89 1pp6 n LYS 2128Ca 0.02 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 1pp6 n LYS 2128Cb 0.39 -4.69 0.00 0.00 0.02 0.00 0.00 35.03 30.76 1pp6 n LYS 2128CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1pp6 n ASN 2129N -0.28 1.24 -3.84 3.14 6.94 -1.16 -4.50 115.26 116.80 1pp6 n ASN 2129Ca -0.13 -0.61 -0.09 0.00 -0.02 0.00 0.00 54.58 53.74 1pp6 n ASN 2129Cb 0.60 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.99 1pp6 n ASN 2129CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1pp6 s SER 2130N -0.22 -0.23 -0.30 0.53 1.04 -0.81 -1.58 113.70 112.14 1pp6 s SER 2130Ca 0.00 -0.63 -0.16 0.00 0.48 0.00 0.00 55.95 55.64 1pp6 s SER 2130Cb 0.00 0.64 0.16 0.00 0.10 0.00 0.00 66.02 66.93 1pp6 s SER 2130CO 0.00 -1.19 1.04 -0.94 0.98 0.00 0.00 173.24 173.13 1pp6 s SER 2131N -2.92 -0.46 0.47 7.02 1.04 -0.76 -2.64 113.70 115.45 1pp6 s SER 2131Ca 0.13 0.67 -0.05 0.00 0.48 0.00 0.00 55.95 57.19 1pp6 s SER 2131Cb -0.03 1.38 -0.04 0.00 0.10 0.00 0.00 66.02 67.43 1pp6 s SER 2131CO 0.04 -0.10 0.76 0.26 0.98 0.00 0.00 173.24 175.18 1pp6 s TRP 2132N 1.85 3.56 -0.52 5.02 0.52 -0.97 -3.83 118.94 124.57 1pp6 s TRP 2132Ca -0.05 0.76 0.04 0.00 0.02 0.00 0.00 56.10 56.87 1pp6 s TRP 2132Cb -0.04 -2.26 0.14 0.00 -1.15 0.00 0.00 33.47 30.16 1pp6 s TRP 2132CO -0.16 -0.23 0.30 -2.00 0.02 0.00 0.00 176.95 174.89 1pp6 s GLU 2133N -4.69 1.78 0.04 4.98 2.12 -0.82 -2.11 118.70 120.01 1pp6 s GLU 2133Ca 0.47 -2.54 -0.30 0.00 0.36 0.00 0.00 54.97 52.96 1pp6 s GLU 2133Cb -0.10 -2.90 -0.07 0.00 0.26 0.00 0.00 34.13 31.32 1pp6 s GLU 2133CO 0.44 -1.18 1.46 -0.47 -0.54 0.00 0.00 175.26 174.97 1pp6 s TYR 2134N -0.29 2.83 -0.39 5.30 5.04 0.18 -3.59 117.35 126.43 1pp6 s TYR 2134Ca 0.20 0.73 -0.01 0.00 -2.44 0.00 0.00 57.07 55.54 1pp6 s TYR 2134Cb -0.19 -3.74 0.11 0.00 0.35 0.00 0.00 41.96 38.48 1pp6 s TYR 2134CO -0.04 -2.77 0.16 1.03 -1.34 0.00 0.00 175.55 172.59 1pp6 s ARG 2135N 2.21 1.89 0.35 4.97 0.52 -0.53 -0.68 118.95 127.68 1pp6 s ARG 2135Ca 0.66 -1.82 0.07 0.00 -0.52 0.00 0.00 55.73 54.13 1pp6 s ARG 2135Cb -0.34 -3.48 -0.01 0.00 0.52 0.00 0.00 34.95 31.63 1pp6 s ARG 2135CO 0.28 -1.03 0.41 0.08 0.02 0.00 0.00 175.30 175.06 1pp6 s VAL 2136N 1.09 3.59 -0.32 3.52 1.01 -0.78 -0.00 120.40 128.51 1pp6 s VAL 2136Ca 0.08 -1.17 0.04 0.00 0.00 0.00 0.00 61.98 60.94 1pp6 s VAL 2136Cb -0.22 -3.23 0.18 0.00 0.00 0.00 0.00 36.38 33.11 1pp6 s VAL 2136CO -0.05 -0.13 0.50 -0.22 0.00 0.00 0.00 175.10 175.21 1pp6 s LEU 2137N -4.12 -1.13 0.48 3.92 1.98 -0.95 -2.19 118.68 116.66 1pp6 s LEU 2137Ca 0.45 -0.37 -0.09 0.00 -2.89 0.00 0.00 54.13 51.23 1pp6 s LEU 2137Cb -0.07 1.51 -0.05 0.00 0.66 0.00 0.00 46.19 48.24 1pp6 s LEU 2137CO 0.29 -0.30 0.84 -0.36 -1.89 0.00 0.00 176.35 174.94 1pp6 s PHE 2138N 2.42 3.54 -0.25 5.38 0.40 0.10 -2.76 117.98 126.80 1pp6 s PHE 2138Ca 0.11 1.04 -0.04 0.00 -0.60 0.00 0.00 56.93 57.44 1pp6 s PHE 2138Cb -0.10 -2.47 0.14 0.00 0.51 0.00 0.00 43.02 41.09 1pp6 s PHE 2138CO -0.22 -0.31 0.48 -1.12 0.70 0.00 0.00 175.22 174.75 1pp6 s SER 2139N -3.71 -0.48 0.17 1.36 0.01 -0.80 -0.60 113.70 109.64 1pp6 s SER 2139Ca 0.51 0.75 0.09 0.00 1.31 0.00 0.00 55.95 58.61 1pp6 s SER 2139Cb -0.10 1.60 -0.04 0.00 0.21 0.00 0.00 66.02 67.68 1pp6 s SER 2139CO 0.41 -0.26 -0.19 0.68 0.41 0.00 0.00 173.24 174.28 1pp6 s VAL 2140N 2.69 1.91 0.89 3.43 -7.23 -1.12 -2.60 120.40 118.37 1pp6 s VAL 2140Ca 0.09 -1.92 -0.10 0.00 -1.81 0.00 0.00 61.98 58.24 1pp6 s VAL 2140Cb -0.14 -1.87 0.13 0.00 0.56 0.00 0.00 36.38 35.06 1pp6 s VAL 2140CO -0.17 -0.27 1.12 -2.16 -0.31 0.00 0.00 175.10 173.32 1pp6 s PRO 2141N -2.72 1.22 -0.06 4.82 0.04 -1.26 -1.08 135.00 135.96 1pp6 s PRO 2141Ca 0.16 1.38 -0.19 0.00 0.04 0.00 0.00 61.00 62.38 1pp6 s PRO 2141Cb -0.06 -1.76 -0.30 0.00 0.04 0.00 0.00 34.50 32.41 1pp6 s PRO 2141CO 0.07 -2.43 0.79 0.35 0.04 0.00 0.00 177.00 175.82 1pp6 h PHE 2142N -1.72 0.54 0.00 0.56 3.57 -1.74 -3.40 116.94 114.76 1pp6 h PHE 2142Ca -0.45 -0.40 0.00 0.00 3.53 0.00 0.00 57.97 60.66 1pp6 h PHE 2142Cb 1.26 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.98 1pp6 h PHE 2142CO 0.50 1.41 0.00 0.41 -2.23 0.00 0.00 178.31 178.40 1pp6 n GLY 2143N 1.69 0.97 0.09 2.40 0.00 -1.26 -4.98 105.19 104.10 1pp6 n GLY 2143Ca -0.18 -1.20 -0.11 0.00 0.00 0.00 0.00 46.02 44.53 1pp6 n GLY 2143CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pp6 h ASP 2144N 0.00 0.15 0.00 1.61 5.19 -1.98 -3.16 116.42 118.23 1pp6 h ASP 2144Ca 0.00 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 1pp6 h ASP 2144Cb 0.00 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.47 1pp6 h ASP 2144CO 0.00 0.15 0.00 -0.46 -3.12 0.00 0.00 179.24 175.81 1pp6 n ASN 2145N -4.98 2.01 0.00 6.45 6.94 -1.26 -3.38 115.26 121.04 1pp6 n ASN 2145Ca -0.05 -1.43 0.00 0.00 -0.02 0.00 0.00 54.58 53.08 1pp6 n ASN 2145Cb 0.05 -0.41 0.00 0.00 -2.36 0.00 0.00 39.78 37.05 1pp6 n ASN 2145CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1pp6 n ALA 2146N 1.59 0.00 0.72 -2.53 0.00 -1.19 -5.03 120.51 114.08 1pp6 n ALA 2146Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pp6 n ALA 2146Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 1pp6 n ALA 2146CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1pp6 n PRO 2147N 0.00 0.72 0.00 0.00 -0.04 -1.22 -2.07 135.00 132.39 1pp6 n PRO 2147Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1pp6 n PRO 2147Cb 0.00 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 1pp6 n PRO 2147CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1pp6 n SER 2148N 0.36 0.93 -4.10 3.54 7.64 -1.26 -4.99 113.62 115.74 1pp6 n SER 2148Ca 0.00 -1.43 -0.13 0.00 1.01 0.00 0.00 58.87 58.32 1pp6 n SER 2148Cb 0.26 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.35 1pp6 n SER 2148CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1pp6 s TYR 2149N -0.43 0.77 0.05 1.43 2.02 -0.88 0.14 117.35 120.46 1pp6 s TYR 2149Ca 0.00 -0.59 -0.23 0.00 -0.37 0.00 0.00 57.07 55.89 1pp6 s TYR 2149Cb 0.00 -0.45 0.05 0.00 -0.40 0.00 0.00 41.96 41.16 1pp6 s TYR 2149CO 0.00 -0.08 0.53 -0.59 -1.57 0.00 0.00 175.55 173.84 1pp6 s PHE 2150N -1.87 -0.43 0.57 2.71 -0.71 -0.74 -2.44 117.98 115.07 1pp6 s PHE 2150Ca -0.04 0.47 -0.14 0.00 -1.04 0.00 0.00 56.93 56.17 1pp6 s PHE 2150Cb -0.07 0.36 -0.06 0.00 -1.21 0.00 0.00 43.02 42.04 1pp6 s PHE 2150CO -0.00 -0.66 1.01 0.71 -1.34 0.00 0.00 175.22 174.94 1pp6 s TYR 2151N -2.52 3.43 -0.34 3.49 2.02 -0.24 -1.65 117.35 121.55 1pp6 s TYR 2151Ca -0.05 1.42 0.02 0.00 -0.37 0.00 0.00 57.07 58.08 1pp6 s TYR 2151Cb -0.01 -2.80 0.15 0.00 -0.40 0.00 0.00 41.96 38.90 1pp6 s TYR 2151CO -0.02 -0.61 0.34 0.45 -1.57 0.00 0.00 175.55 174.14 1pp6 s SER 2152N -3.42 1.39 -0.55 2.29 0.15 -1.11 -2.78 113.70 109.68 1pp6 s SER 2152Ca 0.58 -1.25 -0.24 0.00 0.70 0.00 0.00 55.95 55.74 1pp6 s SER 2152Cb -0.11 0.53 0.04 0.00 -1.71 0.00 0.00 66.02 64.77 1pp6 s SER 2152CO 0.40 -0.31 0.92 -0.22 1.20 0.00 0.00 173.24 175.23 1pp6 s LEU 2153N 1.81 4.16 -0.34 3.45 2.96 0.23 -2.93 118.68 128.02 1pp6 s LEU 2153Ca 0.14 -0.40 -0.28 0.00 -0.22 0.00 0.00 54.13 53.38 1pp6 s LEU 2153Cb -0.15 -2.80 0.02 0.00 0.50 0.00 0.00 46.19 43.76 1pp6 s LEU 2153CO -0.15 -1.21 1.01 -0.69 -1.32 0.00 0.00 176.35 173.98 1pp6 s VAL 2154N 3.87 4.54 0.14 1.68 1.01 -0.93 -0.72 120.40 130.00 1pp6 s VAL 2154Ca 0.29 1.50 0.08 0.00 0.00 0.00 0.00 61.98 63.85 1pp6 s VAL 2154Cb -0.13 -4.38 -0.04 0.00 0.00 0.00 0.00 36.38 31.83 1pp6 s VAL 2154CO 0.19 -0.51 -0.17 -0.89 0.00 0.00 0.00 175.10 173.71 1pp6 s THR 2155N 3.58 1.67 -0.11 3.92 2.01 -0.93 -0.84 115.64 124.93 1pp6 s THR 2155Ca 0.42 -1.80 -0.04 0.00 0.31 0.00 0.00 61.69 60.58 1pp6 s THR 2155Cb -0.12 -1.71 0.06 0.00 0.01 0.00 0.00 72.50 70.74 1pp6 s THR 2155CO 0.17 -0.31 0.20 0.42 -0.69 0.00 0.00 174.62 174.41 1pp6 s THR 2156N -1.94 -0.31 -0.15 -0.82 -4.23 0.16 -1.86 115.64 106.49 1pp6 s THR 2156Ca 0.12 0.27 -0.06 0.00 -1.18 0.00 0.00 61.69 60.85 1pp6 s THR 2156Cb -0.06 -0.39 -0.04 0.00 1.34 0.00 0.00 72.50 73.35 1pp6 s THR 2156CO 0.05 0.09 0.05 -0.63 -0.54 0.00 0.00 174.62 173.65 1pp6 s ILE 2157N 2.33 4.73 -0.34 2.99 -1.09 0.14 -2.00 121.20 127.96 1pp6 s ILE 2157Ca 0.03 -0.07 0.02 0.00 -2.23 0.00 0.00 60.65 58.40 1pp6 s ILE 2157Cb -0.13 -3.08 0.10 0.00 -1.58 0.00 0.00 42.46 37.78 1pp6 s ILE 2157CO -0.07 0.52 0.10 -0.22 -1.23 0.00 0.00 174.94 174.04 1pp6 s LEU 2158N -0.16 3.40 -0.18 2.97 0.20 -1.02 0.49 118.68 124.39 1pp6 s LEU 2158Ca 0.07 -2.01 -0.24 0.00 0.69 0.00 0.00 54.13 52.64 1pp6 s LEU 2158Cb -0.12 -1.23 -0.02 0.00 -0.43 0.00 0.00 46.19 44.39 1pp6 s LEU 2158CO 0.01 -0.38 0.77 0.27 -0.29 0.00 0.00 176.35 176.73 1pp6 s ILE 2159N 1.11 4.93 -0.21 6.68 -4.36 -0.89 -1.57 121.20 126.88 1pp6 s ILE 2159Ca 0.11 1.49 0.01 0.00 -0.26 0.00 0.00 60.65 62.01 1pp6 s ILE 2159Cb -0.19 -4.08 0.03 0.00 1.25 0.00 0.00 42.46 39.48 1pp6 s ILE 2159CO -0.15 0.06 -0.16 -0.89 0.24 0.00 0.00 174.94 174.04 1pp6 s THR 2160N 2.06 2.16 0.49 8.37 2.01 -1.05 -2.30 115.64 127.39 1pp6 s THR 2160Ca 0.35 -1.19 0.02 0.00 0.31 0.00 0.00 61.69 61.18 1pp6 s THR 2160Cb -0.16 -2.05 -0.02 0.00 0.01 0.00 0.00 72.50 70.28 1pp6 s THR 2160CO 0.12 0.32 0.02 0.00 -0.69 0.00 0.00 174.62 174.39 1pp6 s ALA 2161N 1.23 3.91 -1.11 7.40 0.00 -1.08 -0.71 121.76 131.40 1pp6 s ALA 2161Ca -0.00 -0.58 -0.05 0.00 0.00 0.00 0.00 51.96 51.32 1pp6 s ALA 2161Cb -0.16 0.13 0.08 0.00 0.00 0.00 0.00 23.12 23.18 1pp6 s ALA 2161CO -0.10 -0.07 2.56 -0.40 0.00 0.00 0.00 175.76 177.76 1pp6 n ASP 2162N -1.26 7.67 -4.78 0.00 5.68 -1.22 -3.12 116.55 119.52 1pp6 n ASP 2162Ca -0.17 -3.09 -0.31 0.00 -0.50 0.00 0.00 54.79 50.72 1pp6 n ASP 2162Cb 0.67 -1.35 -0.06 0.00 -1.14 0.00 0.00 41.12 39.23 1pp6 n ASP 2162CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1pp6 s ILE 2163N -1.08 4.58 0.00 2.12 -1.09 -1.26 -4.94 121.20 119.54 1pp6 s ILE 2163Ca 0.57 -0.71 0.00 0.00 -2.23 0.00 0.00 60.65 58.28 1pp6 s ILE 2163Cb 0.23 -3.20 0.00 0.00 -1.58 0.00 0.00 42.46 37.92 1pp6 s ILE 2163CO -0.12 0.15 0.00 -0.62 -1.23 0.00 0.00 174.94 173.12 1pp6 n GLU 2164N 0.53 0.00 -3.47 2.79 -0.58 -1.26 -1.93 120.64 116.72 1pp6 n GLU 2164Ca -0.09 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.45 1pp6 n GLU 2164Cb 0.52 -0.27 -0.02 0.00 -0.57 0.00 0.00 31.44 31.10 1pp6 n GLU 2164CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1pp6 s GLU 2165N 0.00 2.68 0.00 3.49 2.02 -1.26 -4.69 118.70 120.94 1pp6 s GLU 2165Ca 0.00 -1.38 0.00 0.00 0.02 0.00 0.00 54.97 53.61 1pp6 s GLU 2165Cb 0.00 -2.52 0.00 0.00 0.10 0.00 0.00 34.13 31.71 1pp6 s GLU 2165CO 0.00 -0.14 0.15 0.36 0.02 0.00 0.00 175.26 175.65 1pp6 n LYS 2166N -1.59 0.16 0.00 1.61 2.85 -1.26 -2.28 118.16 117.64 1pp6 n LYS 2166Ca 0.03 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.29 1pp6 n LYS 2166Cb 0.60 -1.39 0.00 0.00 -0.65 0.00 0.00 35.03 33.60 1pp6 n LYS 2166CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1pp6 n THR 2167N 0.87 0.00 0.02 0.58 -1.04 -1.26 -4.59 114.28 108.86 1pp6 n THR 2167Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.02 1pp6 n THR 2167Cb 0.07 -0.34 0.07 0.00 -1.82 0.00 0.00 70.33 68.32 1pp6 n THR 2167CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1pp6 n GLY 2168N 2.56 -0.54 0.09 3.41 0.00 -0.97 -0.50 105.19 109.23 1pp6 n GLY 2168Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 1pp6 n GLY 2168CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1pp6 n TRP 2169N -1.59 0.77 -1.65 1.61 7.02 -1.26 -4.82 117.44 117.51 1pp6 n TRP 2169Ca -0.00 0.26 -0.42 0.00 -1.02 0.00 0.00 57.50 56.32 1pp6 n TRP 2169Cb 0.01 -1.07 -0.03 0.00 -2.42 0.00 0.00 31.31 27.80 1pp6 n TRP 2169CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 1pp6 s TRP 2170N -2.80 1.24 0.00 -5.99 0.23 0.34 -2.82 118.94 109.15 1pp6 s TRP 2170Ca -0.05 -0.35 0.00 0.00 -2.03 0.00 0.00 56.10 53.67 1pp6 s TRP 2170Cb 0.08 -4.22 0.00 0.00 0.03 0.00 0.00 33.47 29.37 1pp6 s TRP 2170CO 0.82 -5.45 0.00 0.41 0.96 0.00 0.00 176.95 173.70 1pp6 n GLY 2171N 4.72 3.17 0.26 0.98 0.00 -1.26 -5.07 105.19 107.99 1pp6 n GLY 2171Ca 0.21 -1.07 -0.04 0.00 0.00 0.00 0.00 46.02 45.12 1pp6 n GLY 2171CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pp6 n LEU 2172N 0.00 -0.01 -4.06 0.99 4.77 -1.13 -4.95 117.00 112.61 1pp6 n LEU 2172Ca 0.00 0.09 -0.10 0.00 -0.03 0.00 0.00 56.01 55.97 1pp6 n LEU 2172Cb 0.00 -0.07 -0.11 0.00 -2.33 0.00 0.00 43.42 40.92 1pp6 n LEU 2172CO 0.00 -0.15 -0.37 0.42 -1.33 0.00 0.00 177.39 175.96 1pp6 s THR 2173N -0.00 0.34 0.00 -5.08 -4.23 -1.26 -4.33 115.64 101.07 1pp6 s THR 2173Ca 0.07 -1.39 0.00 0.00 -1.18 0.00 0.00 61.69 59.18 1pp6 s THR 2173Cb -0.09 -0.96 0.00 0.00 1.34 0.00 0.00 72.50 72.79 1pp6 s THR 2173CO 0.04 -0.69 0.00 -0.24 -0.54 0.00 0.00 174.62 173.20 1pp6 n SER 2174N 0.84 0.00 0.00 3.99 2.88 -1.26 -2.47 113.62 117.60 1pp6 n SER 2174Ca -0.19 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.35 1pp6 n SER 2174Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 1pp6 n SER 2174CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1pp6 n SER 2175N -0.04 0.00 -3.19 -3.46 2.88 -1.26 0.23 113.62 108.78 1pp6 n SER 2175Ca 0.00 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.33 1pp6 n SER 2175Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 1pp6 n SER 2175CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1pp6 n THR 2176N 0.00 -2.83 -2.74 2.46 -1.04 -1.03 0.83 114.28 109.93 1pp6 n THR 2176Ca 0.00 0.23 -0.41 0.00 -2.04 0.00 0.00 64.05 61.84 1pp6 n THR 2176Cb 0.00 -3.05 -0.05 0.00 -1.82 0.00 0.00 70.33 65.41 1pp6 n THR 2176CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1pp6 s LYS 2177N -1.70 4.78 -0.03 -2.82 2.20 -1.26 -3.31 119.74 117.60 1pp6 s LYS 2177Ca 0.21 1.48 -0.30 0.00 -0.36 0.00 0.00 55.97 56.99 1pp6 s LYS 2177Cb -0.02 -3.33 0.07 0.00 -1.51 0.00 0.00 37.83 33.05 1pp6 s LYS 2177CO 0.47 0.37 0.69 0.15 -0.36 0.00 0.00 175.35 176.67 1pp6 s LYS 2178N -0.61 1.05 -0.21 4.03 -0.14 -0.39 -4.95 119.74 118.52 1pp6 s LYS 2178Ca 0.44 0.17 -0.28 0.00 -1.36 0.00 0.00 55.97 54.93 1pp6 s LYS 2178Cb -0.25 0.50 -0.04 0.00 -1.68 0.00 0.00 37.83 36.35 1pp6 s LYS 2178CO 0.31 -0.35 2.00 -0.80 -0.76 0.00 0.00 175.35 175.76 1pp6 s ASN 2179N -1.37 5.81 0.19 2.83 0.01 -1.22 -2.99 114.94 118.20 1pp6 s ASN 2179Ca -0.09 1.81 0.09 0.00 -0.71 0.00 0.00 52.86 53.97 1pp6 s ASN 2179Cb -0.00 -2.52 -0.04 0.00 0.41 0.00 0.00 41.25 39.10 1pp6 s ASN 2179CO 0.07 -1.69 -0.11 -0.36 -1.51 0.00 0.00 177.10 173.49 1pp6 s PHE 2180N 7.05 2.58 -0.42 2.20 0.08 0.17 -3.37 117.98 126.27 1pp6 s PHE 2180Ca 0.90 -0.24 0.05 0.00 0.12 0.00 0.00 56.93 57.76 1pp6 s PHE 2180Cb -0.31 -1.26 0.17 0.00 -0.57 0.00 0.00 43.02 41.06 1pp6 s PHE 2180CO 0.35 0.52 0.52 0.00 -0.10 0.00 0.00 175.22 176.51 1pp6 s ALA 2181N -1.74 -1.03 0.05 5.36 0.00 0.12 -2.29 121.76 122.23 1pp6 s ALA 2181Ca 0.25 -0.79 -0.05 0.00 0.00 0.00 0.00 51.96 51.36 1pp6 s ALA 2181Cb -0.08 -2.31 -0.05 0.00 0.00 0.00 0.00 23.12 20.67 1pp6 s ALA 2181CO 0.15 -2.16 0.28 0.54 0.00 0.00 0.00 175.76 174.56 1pp6 s VAL 2182N 1.17 5.29 -0.20 0.00 0.11 -1.09 -2.52 120.40 123.16 1pp6 s VAL 2182Ca 0.22 0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.32 1pp6 s VAL 2182Cb -0.06 -3.59 0.04 0.00 -1.53 0.00 0.00 36.38 31.24 1pp6 s VAL 2182CO -0.07 0.25 -0.11 -1.58 -3.33 0.00 0.00 175.10 170.27 1pp6 s GLN 2183N -2.09 2.11 -0.09 1.54 0.74 -0.61 0.18 119.66 121.44 1pp6 s GLN 2183Ca 0.32 -0.86 -0.14 0.00 0.05 0.00 0.00 55.36 54.73 1pp6 s GLN 2183Cb -0.13 -2.44 -0.05 0.00 1.10 0.00 0.00 33.01 31.49 1pp6 s GLN 2183CO 0.20 -0.41 0.33 0.42 -0.55 0.00 0.00 175.29 175.28 1pp6 s ILE 2184N 1.38 5.23 -0.03 -2.34 1.09 0.03 -2.44 121.20 124.11 1pp6 s ILE 2184Ca -0.01 0.64 -0.01 0.00 -1.10 0.00 0.00 60.65 60.17 1pp6 s ILE 2184Cb -0.16 -3.64 0.03 0.00 -1.06 0.00 0.00 42.46 37.63 1pp6 s ILE 2184CO -0.08 0.49 0.06 -1.81 -0.10 0.00 0.00 174.94 173.49 1pp6 s ASP 2185N -0.31 0.43 -0.06 3.58 1.11 -0.85 -1.10 116.67 119.47 1pp6 s ASP 2185Ca 0.20 0.10 -0.16 0.00 0.18 0.00 0.00 52.55 52.86 1pp6 s ASP 2185Cb -0.14 -0.04 0.03 0.00 1.07 0.00 0.00 42.92 43.84 1pp6 s ASP 2185CO 0.08 -0.18 0.39 0.00 1.18 0.00 0.00 175.17 176.64 1pp6 s ALA 2186N 1.51 -0.97 -0.17 5.23 0.00 -0.58 0.36 121.76 127.13 1pp6 s ALA 2186Ca -0.04 0.72 -0.01 0.00 0.00 0.00 0.00 51.96 52.63 1pp6 s ALA 2186Cb -0.12 -0.18 0.05 0.00 0.00 0.00 0.00 23.12 22.86 1pp6 s ALA 2186CO -0.03 -0.25 -0.03 -1.17 0.00 0.00 0.00 175.76 174.28 1pp6 s LEU 2187N -0.80 1.49 0.47 0.00 0.20 -0.02 -0.92 118.68 119.10 1pp6 s LEU 2187Ca -0.09 -0.69 -0.19 0.00 0.69 0.00 0.00 54.13 53.86 1pp6 s LEU 2187Cb -0.04 -0.81 -0.09 0.00 -0.43 0.00 0.00 46.19 44.82 1pp6 s LEU 2187CO 0.04 -0.22 0.97 -0.70 -0.29 0.00 0.00 176.35 176.15 1pp6 s GLU 2188N 1.70 4.07 0.16 1.98 2.12 0.71 -2.18 118.70 127.27 1pp6 s GLU 2188Ca 0.00 1.04 -0.01 0.00 0.36 0.00 0.00 54.97 56.36 1pp6 s GLU 2188Cb -0.16 -2.15 -0.04 0.00 0.26 0.00 0.00 34.13 32.04 1pp6 s GLU 2188CO -0.07 -0.16 0.09 -0.51 -0.54 0.00 0.00 175.26 174.06 1pp6 s LEU 2189N -3.64 1.47 -0.36 2.70 1.43 -1.15 -3.55 118.68 115.58 1pp6 s LEU 2189Ca 0.61 -1.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.42 1pp6 s LEU 2189Cb -0.10 0.34 0.11 0.00 0.03 0.00 0.00 46.19 46.58 1pp6 s LEU 2189CO 0.22 -0.78 0.15 -0.69 0.23 0.00 0.00 176.35 175.48 1pp6 s VAL 2190N -4.10 1.06 -0.19 -1.59 1.01 -1.20 -2.74 120.40 112.65 1pp6 s VAL 2190Ca 0.31 -1.83 -0.07 0.00 0.00 0.00 0.00 61.98 60.40 1pp6 s VAL 2190Cb 0.07 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1pp6 s VAL 2190CO 0.07 -0.76 0.04 -0.69 0.00 0.00 0.00 175.10 173.76 1pp6 s VAL 2191N 1.15 4.53 0.56 2.92 1.01 -0.66 -3.64 120.40 126.27 1pp6 s VAL 2191Ca 0.13 -0.12 -0.13 0.00 0.00 0.00 0.00 61.98 61.86 1pp6 s VAL 2191Cb -0.20 -3.04 -0.06 0.00 0.00 0.00 0.00 36.38 33.08 1pp6 s VAL 2191CO -0.15 0.45 0.98 -0.75 0.00 0.00 0.00 175.10 175.63 1pp6 s LYS 2192N 0.57 3.74 0.72 2.72 2.20 0.80 -1.79 119.74 128.70 1pp6 s LYS 2192Ca 0.02 0.77 -0.16 0.00 -0.36 0.00 0.00 55.97 56.24 1pp6 s LYS 2192Cb -0.13 -2.14 -0.00 0.00 -1.51 0.00 0.00 37.83 34.04 1pp6 s LYS 2192CO 0.02 -0.40 0.89 1.17 -0.36 0.00 0.00 175.35 176.67 1pp6 n LYS 2193N -2.19 0.47 -0.38 4.03 4.81 0.38 -2.58 118.16 122.71 1pp6 n LYS 2193Ca 0.06 0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 1pp6 n LYS 2193Cb 0.54 -2.15 0.00 0.00 0.02 0.00 0.00 35.03 33.44 1pp6 n LYS 2193CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pp6 n GLY 2194N 1.19 1.80 3.60 3.14 0.00 -1.26 -4.98 105.19 108.68 1pp6 n GLY 2194Ca 0.12 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.66 1pp6 n GLY 2194CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1pp6 n PHE 2195N -2.00 1.54 -4.30 1.61 7.35 -1.07 -4.96 117.46 115.63 1pp6 n PHE 2195Ca 0.00 0.60 -0.29 0.00 -0.76 0.00 0.00 57.45 57.00 1pp6 n PHE 2195Cb 0.00 -2.34 -0.11 0.00 0.35 0.00 0.00 39.48 37.38 1pp6 n PHE 2195CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 1pp6 s LYS 2196N -0.08 1.79 0.31 -4.13 2.20 -1.26 -4.71 119.74 113.86 1pp6 s LYS 2196Ca 0.76 -1.18 -0.29 0.00 -0.36 0.00 0.00 55.97 54.90 1pp6 s LYS 2196Cb -0.84 -2.12 -0.10 0.00 -1.51 0.00 0.00 37.83 33.27 1pp6 s LYS 2196CO 0.49 0.48 1.38 0.00 -0.36 0.00 0.00 175.35 177.35 1pp6 s ALA 2197N -1.15 3.56 -2.00 3.13 0.00 -1.26 -5.01 121.76 119.03 1pp6 s ALA 2197Ca 0.18 1.33 0.14 0.00 0.00 0.00 0.00 51.96 53.62 1pp6 s ALA 2197Cb -0.11 -3.53 0.85 0.00 0.00 0.00 0.00 23.12 20.33 1pp6 s ALA 2197CO 0.10 -0.74 1.27 -0.35 0.00 0.00 0.00 175.76 176.04