#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pp0 h VAL 2006N 0.00 1.22 -4.19 3.44 2.07 -1.94 -2.67 116.25 114.18 1pp0 h VAL 2006Ca 0.00 -1.02 -0.53 0.00 0.82 0.00 0.00 66.70 65.98 1pp0 h VAL 2006Cb 0.00 1.30 -0.27 0.00 -1.52 0.00 0.00 31.29 30.80 1pp0 h VAL 2006CO 0.00 0.32 -0.82 -0.36 0.02 0.00 0.00 177.57 176.72 1pp0 s PHE 2007N -4.59 1.53 -0.24 1.57 0.08 -1.26 -4.06 117.98 111.02 1pp0 s PHE 2007Ca -0.06 -0.33 -0.29 0.00 0.12 0.00 0.00 56.93 56.38 1pp0 s PHE 2007Cb 0.15 -0.94 0.01 0.00 -0.57 0.00 0.00 43.02 41.66 1pp0 s PHE 2007CO 0.75 0.03 1.02 -1.14 -0.10 0.00 0.00 175.22 175.78 1pp0 s GLN 2008N -0.83 4.24 -0.04 0.44 0.74 -0.05 -4.81 119.66 119.36 1pp0 s GLN 2008Ca 0.06 1.31 -0.30 0.00 0.05 0.00 0.00 55.36 56.47 1pp0 s GLN 2008Cb -0.08 -3.65 -0.03 0.00 1.10 0.00 0.00 33.01 30.36 1pp0 s GLN 2008CO 0.01 -0.64 1.06 -2.14 -0.55 0.00 0.00 175.29 173.03 1pp0 s PRO 2009N 3.19 4.45 -0.23 1.67 0.02 -1.26 -0.97 135.00 141.87 1pp0 s PRO 2009Ca 0.43 1.51 0.00 0.00 0.02 0.00 0.00 61.00 62.96 1pp0 s PRO 2009Cb -0.15 -3.49 0.06 0.00 0.02 0.00 0.00 34.50 30.94 1pp0 s PRO 2009CO 0.07 -0.25 -0.04 0.08 -0.33 0.00 0.00 177.00 176.53 1pp0 s VAL 2010N 1.62 1.40 -0.06 3.83 1.01 -0.17 -4.94 120.40 123.09 1pp0 s VAL 2010Ca 0.52 -1.16 -0.31 0.00 0.00 0.00 0.00 61.98 61.03 1pp0 s VAL 2010Cb -0.22 -1.71 0.12 0.00 0.00 0.00 0.00 36.38 34.57 1pp0 s VAL 2010CO 0.23 -0.13 1.18 1.51 0.00 0.00 0.00 175.10 177.89 1pp0 s ASP 2011N 1.45 -0.13 -0.30 3.32 1.47 -1.26 -1.92 116.67 119.30 1pp0 s ASP 2011Ca -0.05 -0.10 0.15 0.00 1.18 0.00 0.00 52.55 53.73 1pp0 s ASP 2011Cb -0.19 0.21 0.48 0.00 -0.34 0.00 0.00 42.92 43.08 1pp0 s ASP 2011CO -0.07 -0.37 1.11 0.00 0.68 0.00 0.00 175.17 176.52 1pp0 n GLN 2012N -0.32 2.43 -1.85 2.11 6.02 -1.26 -5.04 117.38 119.48 1pp0 n GLN 2012Ca -0.05 -3.80 -0.38 0.00 -0.01 0.00 0.00 57.00 52.77 1pp0 n GLN 2012Cb 0.61 -1.84 0.04 0.00 1.02 0.00 0.00 30.24 30.07 1pp0 n GLN 2012CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1pp0 s LEU 2013N -3.60 3.83 0.71 1.08 1.43 -1.26 -4.97 118.68 115.89 1pp0 s LEU 2013Ca 0.37 2.67 -0.13 0.00 -1.03 0.00 0.00 54.13 56.02 1pp0 s LEU 2013Cb 0.38 -4.33 0.02 0.00 0.03 0.00 0.00 46.19 42.30 1pp0 s LEU 2013CO -0.02 -1.55 1.09 -2.16 0.23 0.00 0.00 176.35 173.95 1pp0 s PRO 2014N -2.96 2.59 0.30 1.29 0.04 -1.26 -4.83 135.00 130.17 1pp0 s PRO 2014Ca 0.72 1.23 0.06 0.00 0.04 0.00 0.00 61.00 63.06 1pp0 s PRO 2014Cb -0.38 -1.93 0.80 0.00 0.04 0.00 0.00 34.50 33.03 1pp0 s PRO 2014CO 0.44 -1.39 1.69 1.49 0.04 0.00 0.00 177.00 179.27 1pp0 h GLU 2015N -0.56 0.39 0.00 4.56 4.57 -2.02 -1.45 114.58 120.07 1pp0 h GLU 2015Ca -0.45 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1pp0 h GLU 2015Cb 1.23 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 1pp0 h GLU 2015CO 0.53 0.26 0.00 -0.40 -1.18 0.00 0.00 179.01 178.22 1pp0 n ASP 2016N -5.04 0.59 -0.14 1.04 5.75 -1.26 -2.49 116.55 115.00 1pp0 n ASP 2016Ca 0.24 0.68 0.08 0.00 -0.01 0.00 0.00 54.79 55.78 1pp0 n ASP 2016Cb 0.72 -0.79 -0.07 0.00 -1.03 0.00 0.00 41.12 39.96 1pp0 n ASP 2016CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1pp0 n LEU 2017N -2.18 1.15 -0.02 -2.12 4.77 -0.55 -4.60 117.00 113.44 1pp0 n LEU 2017Ca 0.01 -0.59 -0.11 0.00 -0.03 0.00 0.00 56.01 55.30 1pp0 n LEU 2017Cb 0.17 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.22 1pp0 n LEU 2017CO 0.16 0.25 0.93 0.40 -1.33 0.00 0.00 177.39 177.80 1pp0 h ILE 2018N 0.70 1.03 -0.66 -0.08 1.08 -1.42 -1.80 117.51 116.37 1pp0 h ILE 2018Ca 0.00 -0.06 0.09 0.00 -0.39 0.00 0.00 64.86 64.50 1pp0 h ILE 2018Cb 0.48 0.83 -0.07 0.00 -3.07 0.00 0.00 36.82 34.99 1pp0 h ILE 2018CO 0.00 0.03 0.29 -0.65 -0.69 0.00 0.00 178.15 177.14 1pp0 h PRO 2019N 0.19 0.49 -0.73 2.37 0.11 -1.81 -0.74 132.00 131.87 1pp0 h PRO 2019Ca 0.05 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.10 1pp0 h PRO 2019Cb -0.02 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 30.95 1pp0 h PRO 2019CO -0.02 0.33 0.34 0.77 -0.21 0.00 0.00 178.00 179.21 1pp0 h SER 2020N 0.51 0.97 -0.13 -2.05 0.02 -1.77 -1.87 113.55 109.23 1pp0 h SER 2020Ca 0.33 -0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 61.08 1pp0 h SER 2020Cb 0.36 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 1pp0 h SER 2020CO -0.28 0.85 -0.07 0.77 -1.14 0.00 0.00 176.83 176.96 1pp0 h SER 2021N 1.03 0.41 -0.07 3.07 4.64 -0.54 -1.46 113.55 120.63 1pp0 h SER 2021Ca 0.25 -0.08 -0.09 0.00 -0.47 0.00 0.00 61.79 61.39 1pp0 h SER 2021Cb 0.15 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 1pp0 h SER 2021CO -0.03 0.53 -0.24 0.40 -0.87 0.00 0.00 176.83 176.62 1pp0 h ILE 2022N 0.41 1.26 -0.12 0.95 2.04 -0.56 -1.96 117.51 119.53 1pp0 h ILE 2022Ca 0.08 -1.25 -0.10 0.00 1.00 0.00 0.00 64.86 64.60 1pp0 h ILE 2022Cb 0.38 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1pp0 h ILE 2022CO 0.02 0.40 -0.36 1.56 0.00 0.00 0.00 178.15 179.77 1pp0 h GLN 2023N 0.44 0.25 -0.48 2.37 1.08 -0.52 -1.23 115.11 117.02 1pp0 h GLN 2023Ca 0.07 -0.11 -0.11 0.00 -1.45 0.00 0.00 58.65 57.05 1pp0 h GLN 2023Cb 0.66 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.06 1pp0 h GLN 2023CO 0.05 0.59 -0.14 0.28 -0.95 0.00 0.00 178.83 178.65 1pp0 h VAL 2024N 0.22 1.27 -0.58 -0.54 2.07 -0.75 0.29 116.25 118.22 1pp0 h VAL 2024Ca 0.02 -1.27 -0.08 0.00 0.82 0.00 0.00 66.70 66.20 1pp0 h VAL 2024Cb 0.74 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1pp0 h VAL 2024CO 0.06 0.44 0.04 0.25 0.02 0.00 0.00 177.57 178.38 1pp0 h LEU 2025N 0.81 0.93 -0.30 2.57 5.85 -0.98 -1.11 115.31 123.09 1pp0 h LEU 2025Ca 0.12 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 1pp0 h LEU 2025Cb 0.67 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1pp0 h LEU 2025CO 0.05 0.96 0.01 0.50 -0.34 0.00 0.00 178.44 179.62 1pp0 h LYS 2026N 0.90 0.52 0.02 1.25 3.64 -0.85 -0.78 116.57 121.26 1pp0 h LYS 2026Ca 0.17 -0.16 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1pp0 h LYS 2026Cb 0.47 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1pp0 h LYS 2026CO 0.02 0.66 -0.07 0.35 -2.27 0.00 0.00 179.45 178.14 1pp0 h PHE 2027N 0.32 -0.18 -0.84 1.91 3.57 -0.77 -2.39 116.94 118.56 1pp0 h PHE 2027Ca 0.09 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.61 1pp0 h PHE 2027Cb 0.42 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.20 1pp0 h PHE 2027CO 0.03 -0.11 0.55 0.77 -2.23 0.00 0.00 178.31 177.32 1pp0 h SER 2028N -0.14 0.94 0.30 0.41 0.02 -1.11 -2.08 113.55 111.89 1pp0 h SER 2028Ca 0.02 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1pp0 h SER 2028Cb 0.16 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1pp0 h SER 2028CO -0.06 0.67 0.00 1.23 -1.14 0.00 0.00 176.83 177.52 1pp0 h GLY 2029N 1.10 0.00 2.00 -3.77 0.00 -0.63 -1.26 103.07 100.51 1pp0 h GLY 2029Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1pp0 h GLY 2029CO -0.08 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.74 1pp0 n LYS 2030N -2.99 0.08 -0.58 4.80 5.02 -0.78 -2.88 118.16 120.82 1pp0 n LYS 2030Ca -0.02 0.27 0.03 0.00 -2.02 0.00 0.00 58.31 56.57 1pp0 n LYS 2030Cb 0.14 -1.63 0.24 0.00 -0.02 0.00 0.00 35.03 33.75 1pp0 n LYS 2030CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1pp0 n TYR 2031N -1.78 1.06 -3.15 2.13 4.01 -0.48 -4.93 117.16 114.03 1pp0 n TYR 2031Ca 0.04 -1.14 -0.40 0.00 -0.16 0.00 0.00 57.90 56.24 1pp0 n TYR 2031Cb 0.23 -0.39 -0.06 0.00 -0.31 0.00 0.00 39.34 38.81 1pp0 n TYR 2031CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1pp0 s LEU 2032N -2.98 4.16 -0.25 7.72 2.96 -1.14 -0.06 118.68 129.09 1pp0 s LEU 2032Ca 0.43 0.83 -0.09 0.00 -0.22 0.00 0.00 54.13 55.08 1pp0 s LEU 2032Cb 0.37 -2.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.16 1pp0 s LEU 2032CO 0.06 -0.23 0.13 -0.75 -1.32 0.00 0.00 176.35 174.25 1pp0 s LYS 2033N 1.70 3.92 -0.24 1.98 2.20 0.79 -4.92 119.74 125.16 1pp0 s LYS 2033Ca 0.28 -0.35 -0.08 0.00 -0.36 0.00 0.00 55.97 55.47 1pp0 s LYS 2033Cb -0.16 -3.48 -0.03 0.00 -1.51 0.00 0.00 37.83 32.65 1pp0 s LYS 2033CO 0.11 -0.05 0.08 -1.17 -0.36 0.00 0.00 175.35 173.96 1pp0 s LEU 2034N 1.33 3.53 -0.19 5.43 2.96 -1.26 -1.32 118.68 129.17 1pp0 s LEU 2034Ca 0.06 -0.16 -0.15 0.00 -0.22 0.00 0.00 54.13 53.67 1pp0 s LEU 2034Cb -0.15 -1.94 0.05 0.00 0.50 0.00 0.00 46.19 44.65 1pp0 s LEU 2034CO 0.06 -0.01 0.48 -0.70 -1.32 0.00 0.00 176.35 174.86 1pp0 s GLU 2035N 1.49 0.53 -1.46 1.98 2.12 -0.37 -4.88 118.70 118.10 1pp0 s GLU 2035Ca 0.06 0.75 -0.09 0.00 0.36 0.00 0.00 54.97 56.05 1pp0 s GLU 2035Cb -0.15 0.18 0.04 0.00 0.26 0.00 0.00 34.13 34.46 1pp0 s GLU 2035CO 0.04 -0.10 0.87 0.94 -0.54 0.00 0.00 175.26 176.47 1pp0 n GLN 2036N 3.34 -5.81 -2.04 4.30 7.27 -1.26 -1.38 117.38 121.80 1pp0 n GLN 2036Ca -0.17 0.74 -0.20 0.00 0.07 0.00 0.00 57.00 57.45 1pp0 n GLN 2036Cb 0.56 -5.66 -0.04 0.00 2.41 0.00 0.00 30.24 27.52 1pp0 n GLN 2036CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1pp0 n ASP 2037N -2.73 -5.59 -4.03 1.69 9.92 -1.26 -4.99 116.55 109.57 1pp0 n ASP 2037Ca -0.02 0.20 -0.21 0.00 -0.53 0.00 0.00 54.79 54.23 1pp0 n ASP 2037Cb 0.57 -4.71 -0.16 0.00 -0.64 0.00 0.00 41.12 36.18 1pp0 n ASP 2037CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1pp0 s LYS 2038N -4.44 1.13 -0.21 -1.24 1.02 -0.48 -5.12 119.74 110.40 1pp0 s LYS 2038Ca 0.00 -0.36 -0.04 0.00 0.02 0.00 0.00 55.97 55.59 1pp0 s LYS 2038Cb 0.00 -1.03 -0.02 0.00 -0.52 0.00 0.00 37.83 36.26 1pp0 s LYS 2038CO 0.00 0.14 -0.03 0.00 -0.92 0.00 0.00 175.35 174.54 1pp0 s ALA 2039N 0.18 2.90 0.05 5.17 0.00 -1.26 -1.24 121.76 127.55 1pp0 s ALA 2039Ca -0.03 -1.07 0.04 0.00 0.00 0.00 0.00 51.96 50.89 1pp0 s ALA 2039Cb -0.09 -1.70 -0.02 0.00 0.00 0.00 0.00 23.12 21.30 1pp0 s ALA 2039CO 0.01 -0.26 -0.11 0.71 0.00 0.00 0.00 175.76 176.11 1pp0 s TYR 2040N 1.19 0.98 0.27 0.00 2.02 -0.43 -4.70 117.35 116.68 1pp0 s TYR 2040Ca 0.03 -0.41 -0.29 0.00 -0.37 0.00 0.00 57.07 56.02 1pp0 s TYR 2040Cb -0.14 -0.57 -0.09 0.00 -0.40 0.00 0.00 41.96 40.75 1pp0 s TYR 2040CO -0.00 0.00 1.18 0.12 -1.57 0.00 0.00 175.55 175.28 1pp0 s PHE 2041N -1.10 3.40 -0.89 2.71 5.99 -1.26 -0.15 117.98 126.68 1pp0 s PHE 2041Ca -0.03 1.55 -0.15 0.00 0.00 0.00 0.00 56.93 58.30 1pp0 s PHE 2041Cb -0.09 -3.43 0.20 0.00 0.00 0.00 0.00 43.02 39.71 1pp0 s PHE 2041CO 0.01 -1.07 0.91 0.34 -0.00 0.00 0.00 175.22 175.41 1pp0 s ASP 2042N -0.52 6.80 0.12 6.13 2.15 0.91 -4.85 116.67 127.41 1pp0 s ASP 2042Ca 0.48 -2.64 -0.16 0.00 0.43 0.00 0.00 52.55 50.65 1pp0 s ASP 2042Cb -0.34 -2.26 -0.02 0.00 -0.30 0.00 0.00 42.92 39.99 1pp0 s ASP 2042CO 0.43 -0.66 1.65 -0.50 -0.17 0.00 0.00 175.17 175.92 1pp0 h TRP 2043N 7.89 0.57 -0.48 -5.34 4.06 -1.93 -1.05 115.95 119.68 1pp0 h TRP 2043Ca 0.13 -0.05 0.03 0.00 2.06 0.00 0.00 58.89 61.07 1pp0 h TRP 2043Cb 1.01 -0.17 -0.04 0.00 -1.00 0.00 0.00 29.16 28.97 1pp0 h TRP 2043CO 1.04 0.54 0.26 -1.35 -3.56 0.00 0.00 178.44 175.38 1pp0 h PRO 2044N 0.44 0.50 -0.57 0.49 0.11 -1.99 0.73 132.00 131.72 1pp0 h PRO 2044Ca 0.12 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 1pp0 h PRO 2044Cb 0.23 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.20 1pp0 h PRO 2044CO -0.01 0.33 0.30 0.78 -0.21 0.00 0.00 178.00 179.19 1pp0 h GLY 2045N 0.52 0.86 1.01 -0.55 0.00 -1.93 -1.46 103.07 101.51 1pp0 h GLY 2045Ca 0.20 -0.40 -0.09 0.00 0.00 0.00 0.00 47.33 47.04 1pp0 h GLY 2045CO -0.12 0.39 -0.05 -2.75 0.00 0.00 0.00 176.54 174.00 1pp0 h PHE 2046N 0.77 0.95 -0.55 5.60 3.57 -0.80 -1.39 116.94 125.09 1pp0 h PHE 2046Ca 0.20 -0.18 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1pp0 h PHE 2046Cb 0.07 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 1pp0 h PHE 2046CO -0.01 0.92 0.28 0.87 -2.23 0.00 0.00 178.31 178.14 1pp0 h LYS 2047N 0.70 0.79 -0.66 1.11 1.57 -0.72 -0.91 116.57 118.44 1pp0 h LYS 2047Ca 0.13 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1pp0 h LYS 2047Cb 0.58 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 1pp0 h LYS 2047CO 0.03 0.64 0.23 1.15 -0.57 0.00 0.00 179.45 180.93 1pp0 h THR 2048N 0.74 1.24 -0.59 -0.16 2.02 -1.16 0.29 112.91 115.30 1pp0 h THR 2048Ca 0.19 -0.79 -0.03 0.00 0.77 0.00 0.00 66.41 66.55 1pp0 h THR 2048Cb 0.10 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 1pp0 h THR 2048CO -0.03 0.31 0.27 0.00 0.37 0.00 0.00 175.52 176.44 1pp0 h ALA 2049N 1.29 0.76 -0.19 6.16 0.00 -0.71 -0.12 119.26 126.45 1pp0 h ALA 2049Ca 0.22 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1pp0 h ALA 2049Cb 0.24 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1pp0 h ALA 2049CO -0.01 0.34 -0.10 0.82 0.00 0.00 0.00 179.25 180.30 1pp0 h ILE 2050N 0.80 1.31 -1.00 0.00 1.08 -0.74 -1.41 117.51 117.56 1pp0 h ILE 2050Ca 0.20 -1.16 0.15 0.00 -0.39 0.00 0.00 64.86 63.66 1pp0 h ILE 2050Cb 0.15 1.68 -0.09 0.00 -3.07 0.00 0.00 36.82 35.49 1pp0 h ILE 2050CO -0.02 0.35 0.62 0.44 -0.69 0.00 0.00 178.15 178.85 1pp0 h ASP 2051N 0.08 0.85 -0.70 1.72 3.45 -0.16 -1.59 116.42 120.07 1pp0 h ASP 2051Ca 0.04 0.07 0.00 0.00 0.43 0.00 0.00 57.03 57.57 1pp0 h ASP 2051Cb 0.59 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.26 1pp0 h ASP 2051CO 0.03 0.39 0.00 0.59 -1.57 0.00 0.00 179.24 178.68 1pp0 n ASN 2052N -4.67 4.33 -4.76 6.45 3.02 -0.08 -4.98 115.26 114.58 1pp0 n ASN 2052Ca 0.21 -2.21 -0.41 0.00 -0.03 0.00 0.00 54.58 52.13 1pp0 n ASN 2052Cb 0.45 -0.54 -0.03 0.00 -0.61 0.00 0.00 39.78 39.06 1pp0 n ASN 2052CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1pp0 s TYR 2053N -1.42 3.27 -0.18 3.10 5.04 -0.54 -4.96 117.35 121.66 1pp0 s TYR 2053Ca 0.50 1.45 0.19 0.00 -2.44 0.00 0.00 57.07 56.77 1pp0 s TYR 2053Cb 0.29 -3.54 0.46 0.00 0.35 0.00 0.00 41.96 39.53 1pp0 s TYR 2053CO 0.29 -1.46 1.16 0.25 -1.34 0.00 0.00 175.55 174.46 1pp0 n THR 2054N 1.46 1.28 -1.00 4.34 -2.24 -1.26 -5.05 114.28 111.80 1pp0 n THR 2054Ca 0.01 -2.64 0.00 0.00 -2.27 0.00 0.00 64.05 59.15 1pp0 n THR 2054Cb 0.43 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 1pp0 n THR 2054CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pp0 n GLY 2055N -0.37 0.76 0.00 3.38 0.00 -1.26 -5.06 105.19 102.63 1pp0 n GLY 2055Ca 0.16 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.34 1pp0 n GLY 2055CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pp0 n GLU 2056N 0.00 1.23 -0.43 1.61 1.02 -1.26 -4.80 120.64 118.02 1pp0 n GLU 2056Ca 0.00 -0.10 0.08 0.00 -0.02 0.00 0.00 57.16 57.13 1pp0 n GLU 2056Cb 0.00 -0.44 0.25 0.00 -0.02 0.00 0.00 31.44 31.23 1pp0 n GLU 2056CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1pp0 n ASP 2057N -0.20 3.82 -3.72 1.62 8.00 -1.26 -4.93 116.55 119.88 1pp0 n ASP 2057Ca 0.00 -2.93 -0.12 0.00 0.71 0.00 0.00 54.79 52.45 1pp0 n ASP 2057Cb 0.07 -0.52 -0.11 0.00 -0.02 0.00 0.00 41.12 40.54 1pp0 n ASP 2057CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1pp0 s LEU 2058N -2.68 0.20 0.02 0.64 2.96 -1.26 -1.01 118.68 117.56 1pp0 s LEU 2058Ca 0.41 0.78 0.03 0.00 -0.22 0.00 0.00 54.13 55.13 1pp0 s LEU 2058Cb 0.32 1.21 -0.01 0.00 0.50 0.00 0.00 46.19 48.21 1pp0 s LEU 2058CO 0.09 -0.17 -0.09 -0.55 -1.32 0.00 0.00 176.35 174.31 1pp0 s SER 2059N 1.02 1.10 -0.10 3.68 0.15 0.07 -4.83 113.70 114.79 1pp0 s SER 2059Ca -0.07 -0.33 -0.22 0.00 0.70 0.00 0.00 55.95 56.03 1pp0 s SER 2059Cb -0.07 -0.07 -0.03 0.00 -1.71 0.00 0.00 66.02 64.14 1pp0 s SER 2059CO -0.08 0.00 0.65 0.12 1.20 0.00 0.00 173.24 175.14 1pp0 s PHE 2060N -0.66 3.52 -0.01 3.44 5.36 -1.26 -1.18 117.98 127.19 1pp0 s PHE 2060Ca -0.01 1.13 -0.01 0.00 -0.96 0.00 0.00 56.93 57.08 1pp0 s PHE 2060Cb -0.06 -2.77 -0.00 0.00 -0.34 0.00 0.00 43.02 39.85 1pp0 s PHE 2060CO 0.00 0.04 -0.02 -3.47 -1.46 0.00 0.00 175.22 170.31 1pp0 n ASP 2061N 4.06 0.12 -3.46 6.13 -0.08 -0.24 -4.92 116.55 118.16 1pp0 n ASP 2061Ca -0.02 0.08 -0.11 0.00 -1.51 0.00 0.00 54.79 53.23 1pp0 n ASP 2061Cb 0.51 -0.52 -0.02 0.00 2.34 0.00 0.00 41.12 43.43 1pp0 n ASP 2061CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 1pp0 s LYS 2062N -1.11 1.19 -0.07 -0.67 -2.85 -1.19 -5.02 119.74 110.02 1pp0 s LYS 2062Ca -0.02 -0.45 0.02 0.00 -1.00 0.00 0.00 55.97 54.52 1pp0 s LYS 2062Cb 0.00 0.54 0.02 0.00 -2.06 0.00 0.00 37.83 36.33 1pp0 s LYS 2062CO 0.02 -0.52 -0.11 -0.47 0.10 0.00 0.00 175.35 174.38 1pp0 s TYR 2063N -3.61 1.40 0.08 1.78 5.04 -1.26 -0.41 117.35 120.38 1pp0 s TYR 2063Ca 0.02 -0.55 0.08 0.00 -2.44 0.00 0.00 57.07 54.18 1pp0 s TYR 2063Cb -0.01 -1.07 -0.03 0.00 0.35 0.00 0.00 41.96 41.20 1pp0 s TYR 2063CO -0.11 -0.32 -0.20 -0.51 -1.34 0.00 0.00 175.55 173.07 1pp0 s ASP 2064N 0.90 2.43 -0.01 4.32 1.11 -0.11 -5.00 116.67 120.30 1pp0 s ASP 2064Ca -0.10 -0.63 -0.07 0.00 0.18 0.00 0.00 52.55 51.93 1pp0 s ASP 2064Cb -0.15 -0.15 0.00 0.00 1.07 0.00 0.00 42.92 43.70 1pp0 s ASP 2064CO 0.01 0.07 0.14 -1.58 1.18 0.00 0.00 175.17 174.99 1pp0 s GLN 2065N -1.68 0.44 -0.06 8.23 0.74 -1.26 -1.03 119.66 125.04 1pp0 s GLN 2065Ca 0.06 -0.31 -0.03 0.00 0.05 0.00 0.00 55.36 55.13 1pp0 s GLN 2065Cb -0.10 0.18 0.04 0.00 1.10 0.00 0.00 33.01 34.24 1pp0 s GLN 2065CO 0.03 -0.10 0.14 0.45 -0.55 0.00 0.00 175.29 175.26 1pp0 s SER 2066N -1.18 0.11 -0.25 6.67 0.15 -0.04 -4.98 113.70 114.18 1pp0 s SER 2066Ca -0.13 0.28 -0.00 0.00 0.70 0.00 0.00 55.95 56.80 1pp0 s SER 2066Cb -0.07 0.18 0.03 0.00 -1.71 0.00 0.00 66.02 64.45 1pp0 s SER 2066CO 0.01 -0.17 -0.08 -0.89 1.20 0.00 0.00 173.24 173.31 1pp0 s THR 2067N 1.42 2.66 -0.16 6.45 2.01 -1.26 -0.24 115.64 126.53 1pp0 s THR 2067Ca -0.06 -1.17 -0.03 0.00 0.31 0.00 0.00 61.69 60.73 1pp0 s THR 2067Cb -0.12 -2.39 -0.03 0.00 0.01 0.00 0.00 72.50 69.98 1pp0 s THR 2067CO -0.06 0.16 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.36 1pp0 s ILE 2068N 1.27 3.78 0.63 1.82 1.01 0.42 -5.02 121.20 125.12 1pp0 s ILE 2068Ca -0.02 -0.39 -0.17 0.00 0.00 0.00 0.00 60.65 60.07 1pp0 s ILE 2068Cb -0.17 -2.66 -0.02 0.00 0.01 0.00 0.00 42.46 39.63 1pp0 s ILE 2068CO -0.05 0.49 1.16 0.21 0.00 0.00 0.00 174.94 176.75 1pp0 s ASN 2069N 0.44 5.08 0.34 3.58 2.47 -1.26 -2.48 114.94 123.11 1pp0 s ASN 2069Ca -0.04 2.22 -0.27 0.00 0.42 0.00 0.00 52.86 55.18 1pp0 s ASN 2069Cb -0.14 -2.58 -0.13 0.00 -1.45 0.00 0.00 41.25 36.95 1pp0 s ASN 2069CO 0.03 -1.65 1.08 0.00 -3.72 0.00 0.00 177.10 172.84 1pp0 n GLN 2070N -2.00 1.56 -3.63 0.43 3.00 -1.26 -4.72 117.38 110.75 1pp0 n GLN 2070Ca 0.12 0.55 -0.13 0.00 -0.01 0.00 0.00 57.00 57.53 1pp0 n GLN 2070Cb 0.51 -2.02 -0.07 0.00 0.00 0.00 0.00 30.24 28.65 1pp0 n GLN 2070CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.06 178.20 1pp0 s GLN 2071N -1.76 0.81 -0.12 -1.09 -2.07 -0.56 -4.92 119.66 109.94 1pp0 s GLN 2071Ca 0.59 1.02 -0.29 0.00 -1.82 0.00 0.00 55.36 54.86 1pp0 s GLN 2071Cb -0.63 0.36 -0.05 0.00 -1.09 0.00 0.00 33.01 31.61 1pp0 s GLN 2071CO 0.60 -0.11 1.75 0.45 -1.32 0.00 0.00 175.29 176.66 1pp0 s SER 2072N 0.58 6.38 0.20 12.60 0.15 -1.26 -2.10 113.70 130.25 1pp0 s SER 2072Ca -0.02 2.02 -0.22 0.00 0.70 0.00 0.00 55.95 58.43 1pp0 s SER 2072Cb -0.05 -2.53 0.05 0.00 -1.71 0.00 0.00 66.02 61.78 1pp0 s SER 2072CO -0.03 -1.19 0.66 0.00 1.20 0.00 0.00 173.24 173.89 1pp0 s GLN 2073N 4.61 1.46 0.36 5.44 -2.07 -0.52 -4.96 119.66 123.99 1pp0 s GLN 2073Ca 0.78 -0.67 -0.17 0.00 -1.82 0.00 0.00 55.36 53.48 1pp0 s GLN 2073Cb -0.31 0.59 -0.10 0.00 -1.09 0.00 0.00 33.01 32.10 1pp0 s GLN 2073CO 0.32 -0.65 0.81 -1.21 -1.32 0.00 0.00 175.29 173.24 1pp0 s GLU 2074N -3.78 4.08 0.23 9.60 2.02 -1.26 -1.95 118.70 127.64 1pp0 s GLU 2074Ca 0.05 0.83 -0.07 0.00 0.02 0.00 0.00 54.97 55.80 1pp0 s GLU 2074Cb -0.03 -2.34 0.39 0.00 0.10 0.00 0.00 34.13 32.25 1pp0 s GLU 2074CO -0.05 0.09 1.69 0.28 0.02 0.00 0.00 175.26 177.29 1pp0 h VAL 2075N 1.94 0.55 -0.57 2.63 2.07 -0.99 -1.68 116.25 120.20 1pp0 h VAL 2075Ca -0.48 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 66.97 1pp0 h VAL 2075Cb 1.18 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1pp0 h VAL 2075CO 0.64 0.05 0.35 1.23 0.02 0.00 0.00 177.57 179.85 1pp0 h GLY 2076N 0.25 0.80 0.97 2.17 0.00 -1.21 0.28 103.07 106.33 1pp0 h GLY 2076Ca 0.37 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 1pp0 h GLY 2076CO -0.48 0.23 0.23 0.00 0.00 0.00 0.00 176.54 176.52 1pp0 h ALA 2077N 1.24 0.61 -0.14 3.60 0.00 -1.61 -1.51 119.26 121.45 1pp0 h ALA 2077Ca 0.22 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1pp0 h ALA 2077Cb -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1pp0 h ALA 2077CO -0.09 0.17 0.08 1.98 0.00 0.00 0.00 179.25 181.40 1pp0 h MET 2078N 0.62 0.20 -0.69 0.00 -1.53 -0.94 -2.32 114.93 110.26 1pp0 h MET 2078Ca 0.16 -0.02 0.03 0.00 -3.44 0.00 0.00 59.70 56.44 1pp0 h MET 2078Cb 0.12 -0.04 -0.05 0.00 -0.55 0.00 0.00 31.60 31.08 1pp0 h MET 2078CO -0.02 0.18 0.43 0.28 0.14 0.00 0.00 176.91 177.92 1pp0 h VAL 2079N 0.15 1.08 -0.64 -5.77 2.07 -0.79 -1.89 116.25 110.47 1pp0 h VAL 2079Ca 0.05 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 1pp0 h VAL 2079Cb 0.04 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 29.95 1pp0 h VAL 2079CO -0.01 0.15 0.40 0.44 0.02 0.00 0.00 177.57 178.57 1pp0 h ASP 2080N 0.83 0.75 -0.38 0.57 3.45 -1.05 -0.29 116.42 120.30 1pp0 h ASP 2080Ca 0.28 -0.03 -0.14 0.00 0.43 0.00 0.00 57.03 57.58 1pp0 h ASP 2080Cb 0.04 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.62 1pp0 h ASP 2080CO -0.12 0.56 -0.27 0.11 -1.57 0.00 0.00 179.24 177.95 1pp0 h LYS 2081N 0.87 0.90 -0.38 3.56 1.57 -0.84 -0.91 116.57 121.33 1pp0 h LYS 2081Ca 0.23 -0.40 -0.04 0.00 -1.87 0.00 0.00 60.65 58.57 1pp0 h LYS 2081Cb -0.06 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1pp0 h LYS 2081CO -0.05 1.06 0.10 0.82 -0.57 0.00 0.00 179.45 180.81 1pp0 h ILE 2082N 0.76 1.22 -0.61 1.86 2.04 -0.60 -1.56 117.51 120.61 1pp0 h ILE 2082Ca 0.09 -0.76 -0.04 0.00 1.00 0.00 0.00 64.86 65.15 1pp0 h ILE 2082Cb 0.83 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 1pp0 h ILE 2082CO 0.07 0.26 0.22 0.00 0.00 0.00 0.00 178.15 178.70 1pp0 h ALA 2083N 0.94 1.23 -0.29 1.87 0.00 -0.94 -2.26 119.26 119.81 1pp0 h ALA 2083Ca 0.12 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1pp0 h ALA 2083Cb 0.30 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1pp0 h ALA 2083CO 0.00 0.56 0.07 -0.22 0.00 0.00 0.00 179.25 179.65 1pp0 h LYS 2084N 0.89 0.47 -0.12 0.00 3.64 -0.88 0.18 116.57 120.76 1pp0 h LYS 2084Ca 0.21 -0.11 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1pp0 h LYS 2084Cb 0.22 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 1pp0 h LYS 2084CO -0.01 0.55 -0.06 0.35 -2.27 0.00 0.00 179.45 178.01 1pp0 h PHE 2085N 0.31 -0.13 -0.44 1.91 3.57 -1.03 0.20 116.94 121.32 1pp0 h PHE 2085Ca 0.09 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 1pp0 h PHE 2085Cb 0.29 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 1pp0 h PHE 2085CO 0.01 -0.09 -0.05 -0.07 -2.23 0.00 0.00 178.31 175.88 1pp0 h LEU 2086N -0.05 0.81 -0.68 0.59 3.38 -1.31 -2.78 115.31 115.28 1pp0 h LEU 2086Ca 0.07 -0.34 -0.13 0.00 0.09 0.00 0.00 57.88 57.57 1pp0 h LEU 2086Cb 0.14 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1pp0 h LEU 2086CO -0.15 0.95 -0.35 -0.74 0.09 0.00 0.00 178.44 178.25 1pp0 h HIS 2087N 0.65 0.74 -0.78 1.13 2.76 -0.46 0.17 115.15 119.36 1pp0 h HIS 2087Ca 0.12 -0.20 0.01 0.00 -2.20 0.00 0.00 60.37 58.10 1pp0 h HIS 2087Cb 0.57 -0.17 -0.04 0.00 1.55 0.00 0.00 27.41 29.32 1pp0 h HIS 2087CO 0.04 0.90 0.51 -0.44 -1.30 0.00 0.00 177.93 177.65 1pp0 h ASP 2088N 0.54 0.88 0.63 3.26 3.32 -0.55 -2.73 116.42 121.77 1pp0 h ASP 2088Ca 0.06 -0.02 -0.22 0.00 0.02 0.00 0.00 57.03 56.87 1pp0 h ASP 2088Cb 0.85 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.15 1pp0 h ASP 2088CO 0.07 0.63 -1.52 0.00 -1.72 0.00 0.00 179.24 176.71 1pp0 h ALA 2089N 1.29 0.70 -1.22 3.45 0.00 -1.35 -3.40 119.26 118.73 1pp0 h ALA 2089Ca 0.29 -1.11 -0.48 0.00 0.00 0.00 0.00 54.91 53.62 1pp0 h ALA 2089Cb -0.10 0.36 -0.41 0.00 0.00 0.00 0.00 17.79 17.64 1pp0 h ALA 2089CO -0.07 1.20 -0.94 1.19 0.00 0.00 0.00 179.25 180.63 1pp0 n PHE 2090N -2.97 2.36 0.30 0.00 3.72 0.57 -4.89 117.46 116.55 1pp0 n PHE 2090Ca -0.12 -2.90 0.18 0.00 -0.05 0.00 0.00 57.45 54.56 1pp0 n PHE 2090Cb 0.93 -0.22 1.01 0.00 -0.94 0.00 0.00 39.48 40.26 1pp0 n PHE 2090CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pp0 h ALA 2091N 2.73 1.37 0.00 4.37 0.00 -1.66 -0.67 119.26 125.39 1pp0 h ALA 2091Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1pp0 h ALA 2091Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1pp0 h ALA 2091CO 0.67 -0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.87 1pp0 h ALA 2092N 1.94 1.00 0.00 0.00 0.00 -1.90 -3.34 119.26 116.95 1pp0 h ALA 2092Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1pp0 h ALA 2092Cb 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1pp0 h ALA 2092CO -0.00 0.00 -1.41 0.28 0.00 0.00 0.00 179.25 178.12 1pp0 n VAL 2093N -2.47 0.41 -4.33 0.00 0.31 -0.36 -4.91 118.33 106.99 1pp0 n VAL 2093Ca 0.03 -0.22 -0.19 0.00 -0.01 0.00 0.00 64.34 63.95 1pp0 n VAL 2093Cb 0.35 -0.82 -0.13 0.00 -0.91 0.00 0.00 33.84 32.33 1pp0 n VAL 2093CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1pp0 s VAL 2094N -2.15 0.98 0.00 2.52 -7.23 -0.60 -4.79 120.40 109.13 1pp0 s VAL 2094Ca -0.05 -0.89 0.00 0.00 -1.81 0.00 0.00 61.98 59.23 1pp0 s VAL 2094Cb 0.02 -0.89 0.00 0.00 0.56 0.00 0.00 36.38 36.07 1pp0 s VAL 2094CO 0.22 0.00 0.00 -0.90 -0.31 0.00 0.00 175.10 174.11 1pp0 n ASP 2095N 2.04 0.00 -0.08 4.85 5.75 -1.26 -4.27 116.55 123.58 1pp0 n ASP 2095Ca -0.18 -0.01 -0.13 0.00 -0.01 0.00 0.00 54.79 54.46 1pp0 n ASP 2095Cb 0.55 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.60 1pp0 n ASP 2095CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1pp0 n LEU 2096N 0.00 1.62 0.06 -2.12 7.94 -1.26 -4.44 117.00 118.79 1pp0 n LEU 2096Ca 0.00 0.27 -0.13 0.00 -1.11 0.00 0.00 56.01 55.04 1pp0 n LEU 2096Cb 0.00 -0.63 -0.08 0.00 0.53 0.00 0.00 43.42 43.24 1pp0 n LEU 2096CO 0.00 -0.05 0.73 0.28 -1.11 0.00 0.00 177.39 177.24 1pp0 h SER 2097N -0.74 -0.09 -0.80 1.96 0.02 -1.97 -1.55 113.55 110.37 1pp0 h SER 2097Ca -0.22 -0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 60.49 1pp0 h SER 2097Cb 1.04 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.57 1pp0 h SER 2097CO -0.13 0.15 0.34 0.11 -1.14 0.00 0.00 176.83 176.15 1pp0 h LYS 2098N -0.33 1.19 -0.37 3.45 1.57 -2.00 -1.47 116.57 118.62 1pp0 h LYS 2098Ca -0.01 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1pp0 h LYS 2098Cb 0.28 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1pp0 h LYS 2098CO 0.02 0.95 0.24 1.25 -0.57 0.00 0.00 179.45 181.34 1pp0 h LEU 2099N 1.17 0.41 -0.88 2.94 5.85 -1.76 -1.13 115.31 121.92 1pp0 h LEU 2099Ca 0.27 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.98 1pp0 h LEU 2099Cb 0.19 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1pp0 h LEU 2099CO -0.03 0.30 0.57 0.00 -0.34 0.00 0.00 178.44 178.94 1pp0 h ALA 2100N 1.14 1.12 -0.73 1.25 0.00 -0.96 -1.76 119.26 119.31 1pp0 h ALA 2100Ca 0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1pp0 h ALA 2100Cb -0.05 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.34 1pp0 h ALA 2100CO -0.03 0.54 0.43 0.00 0.00 0.00 0.00 179.25 180.19 1pp0 h ALA 2101N 1.31 0.93 -0.34 0.00 0.00 -0.67 0.65 119.26 121.14 1pp0 h ALA 2101Ca 0.32 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1pp0 h ALA 2101Cb -0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 1pp0 h ALA 2101CO -0.07 0.42 0.13 0.82 0.00 0.00 0.00 179.25 180.55 1pp0 h ILE 2102N 1.00 1.19 -0.34 0.00 2.04 -0.77 -0.65 117.51 119.99 1pp0 h ILE 2102Ca 0.26 -0.60 -0.08 0.00 1.00 0.00 0.00 64.86 65.44 1pp0 h ILE 2102Cb -0.01 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1pp0 h ILE 2102CO -0.05 0.21 -0.10 0.40 0.00 0.00 0.00 178.15 178.61 1pp0 h ILE 2103N 0.40 1.28 -0.45 -0.67 2.04 -1.08 -2.43 117.51 116.61 1pp0 h ILE 2103Ca 0.11 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.80 1pp0 h ILE 2103Cb 0.20 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1pp0 h ILE 2103CO -0.01 0.38 0.28 0.25 0.00 0.00 0.00 178.15 179.05 1pp0 h LEU 2104N 0.44 0.53 -1.07 1.44 5.85 -0.79 -2.01 115.31 119.69 1pp0 h LEU 2104Ca 0.08 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1pp0 h LEU 2104Cb 0.61 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 1pp0 h LEU 2104CO 0.04 0.41 0.59 0.78 -0.34 0.00 0.00 178.44 179.92 1pp0 h ASN 2105N 0.60 1.06 0.17 1.25 -0.26 -1.08 -1.12 115.58 116.20 1pp0 h ASN 2105Ca 0.16 -0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 55.85 1pp0 h ASN 2105Cb -0.03 -0.27 0.00 0.00 -1.06 0.00 0.00 38.32 36.97 1pp0 h ASN 2105CO -0.03 0.78 -0.08 0.74 -1.06 0.00 0.00 177.43 177.78 1pp0 h THR 2106N 1.24 0.89 0.00 2.81 2.02 -0.96 -2.54 112.91 116.37 1pp0 h THR 2106Ca 0.33 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.23 1pp0 h THR 2106Cb -0.12 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1pp0 h THR 2106CO -0.07 0.07 0.00 0.49 0.37 0.00 0.00 175.52 176.38 1pp0 n PHE 2107N -5.13 0.32 0.47 3.16 3.72 -0.80 -2.15 117.46 117.04 1pp0 n PHE 2107Ca -0.09 0.11 0.11 0.00 -0.05 0.00 0.00 57.45 57.53 1pp0 n PHE 2107Cb 0.16 -0.68 0.16 0.00 -0.94 0.00 0.00 39.48 38.19 1pp0 n PHE 2107CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1pp0 n THR 2108N -1.77 0.34 -2.32 4.37 -2.24 -0.45 -4.30 114.28 107.91 1pp0 n THR 2108Ca 0.04 -0.67 0.01 0.00 -2.27 0.00 0.00 64.05 61.17 1pp0 n THR 2108Cb 0.27 1.12 0.07 0.00 -2.10 0.00 0.00 70.33 69.69 1pp0 n THR 2108CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1pp0 n ASN 2109N 1.27 1.61 0.17 3.42 4.13 -0.91 -4.46 115.26 120.49 1pp0 n ASN 2109Ca 0.16 -2.59 0.05 0.00 1.68 0.00 0.00 54.58 53.88 1pp0 n ASN 2109Cb 0.55 -0.39 0.49 0.00 -1.54 0.00 0.00 39.78 38.89 1pp0 n ASN 2109CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1pp0 h LEU 2110N 1.41 0.14 -0.25 3.41 3.38 -1.69 -1.83 115.31 119.88 1pp0 h LEU 2110Ca -0.11 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1pp0 h LEU 2110Cb 1.55 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 1pp0 h LEU 2110CO 0.15 0.22 0.16 -0.08 0.09 0.00 0.00 178.44 178.98 1pp0 h GLU 2111N 0.16 0.34 -0.21 1.13 4.81 -1.89 0.68 114.58 119.59 1pp0 h GLU 2111Ca 0.04 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.09 1pp0 h GLU 2111Cb 0.20 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1pp0 h GLU 2111CO 0.01 0.25 -0.50 0.93 -0.73 0.00 0.00 179.01 178.97 1pp0 h GLU 2112N 0.32 0.59 -0.01 1.92 5.08 -1.89 -3.21 114.58 117.38 1pp0 h GLU 2112Ca 0.09 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1pp0 h GLU 2112Cb -0.00 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1pp0 h GLU 2112CO -0.02 0.95 -0.11 0.39 -1.00 0.00 0.00 179.01 179.23 1pp0 n GLU 2113N -3.98 1.45 -0.31 2.33 1.02 -0.72 -4.51 120.64 115.92 1pp0 n GLU 2113Ca -0.03 -0.91 0.16 0.00 -0.02 0.00 0.00 57.16 56.36 1pp0 n GLU 2113Cb 0.58 -1.48 0.34 0.00 -0.02 0.00 0.00 31.44 30.86 1pp0 n GLU 2113CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1pp0 h SER 2114N 2.23 0.21 0.25 1.62 0.87 0.38 0.20 113.55 119.31 1pp0 h SER 2114Ca 0.00 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1pp0 h SER 2114Cb 0.56 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 1pp0 h SER 2114CO 0.00 -0.11 -0.01 -1.20 -0.53 0.00 0.00 176.83 174.98 1pp0 n SER 2115N -5.14 0.05 -4.77 6.23 7.64 -1.26 -4.88 113.62 111.49 1pp0 n SER 2115Ca 0.24 -0.64 -0.41 0.00 1.01 0.00 0.00 58.87 59.08 1pp0 n SER 2115Cb 0.76 -0.12 0.01 0.00 -1.01 0.00 0.00 64.21 63.85 1pp0 n SER 2115CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1pp0 n SER 2116N -1.09 3.58 0.00 6.43 7.64 0.68 -4.87 113.62 125.99 1pp0 n SER 2116Ca 0.19 1.17 0.08 0.00 1.01 0.00 0.00 58.87 61.33 1pp0 n SER 2116Cb 0.18 -1.61 0.41 0.00 -1.01 0.00 0.00 64.21 62.17 1pp0 n SER 2116CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pp0 n GLY 2117N 0.51 -0.88 1.18 0.23 0.00 -1.25 -2.71 105.19 102.27 1pp0 n GLY 2117Ca 0.03 -0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.06 1pp0 n GLY 2117CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1pp0 n PHE 2118N -1.32 1.05 -4.49 1.61 1.16 -1.01 -4.30 117.46 110.17 1pp0 n PHE 2118Ca 0.07 -0.61 -0.21 0.00 -1.87 0.00 0.00 57.45 54.83 1pp0 n PHE 2118Cb 0.14 -0.17 -0.15 0.00 -1.61 0.00 0.00 39.48 37.70 1pp0 n PHE 2118CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1pp0 s LEU 2119N -1.67 1.95 -0.10 5.98 1.43 -1.10 -0.99 118.68 124.17 1pp0 s LEU 2119Ca 0.42 -0.21 -0.02 0.00 -1.03 0.00 0.00 54.13 53.29 1pp0 s LEU 2119Cb 0.26 -0.60 0.03 0.00 0.03 0.00 0.00 46.19 45.92 1pp0 s LEU 2119CO 0.21 0.12 0.01 -1.58 0.23 0.00 0.00 176.35 175.33 1pp0 s GLN 2120N -0.12 0.66 0.20 1.70 2.00 -0.39 -4.82 119.66 118.89 1pp0 s GLN 2120Ca 0.02 -0.02 -0.07 0.00 -2.00 0.00 0.00 55.36 53.29 1pp0 s GLN 2120Cb -0.06 -1.25 -0.06 0.00 0.80 0.00 0.00 33.01 32.44 1pp0 s GLN 2120CO -0.00 -0.37 0.47 0.12 -0.50 0.00 0.00 175.29 175.01 1pp0 s PHE 2121N 1.94 3.45 0.10 1.67 5.36 -1.26 -1.39 117.98 127.85 1pp0 s PHE 2121Ca 0.04 0.70 -0.21 0.00 -0.96 0.00 0.00 56.93 56.49 1pp0 s PHE 2121Cb -0.13 -2.12 0.05 0.00 -0.34 0.00 0.00 43.02 40.48 1pp0 s PHE 2121CO -0.06 0.33 0.52 1.21 -1.46 0.00 0.00 175.22 175.77 1pp0 s ASN 2122N -2.49 -0.44 0.15 6.13 2.47 -0.49 -5.00 114.94 115.27 1pp0 s ASN 2122Ca 0.44 0.02 0.07 0.00 0.42 0.00 0.00 52.86 53.81 1pp0 s ASN 2122Cb -0.12 0.53 -0.04 0.00 -1.45 0.00 0.00 41.25 40.17 1pp0 s ASN 2122CO 0.24 -0.83 -0.16 0.42 -3.72 0.00 0.00 177.10 173.04 1pp0 s THR 2123N -3.17 1.63 -0.34 -5.21 -4.23 -1.26 -1.09 115.64 101.97 1pp0 s THR 2123Ca -0.01 -1.86 0.03 0.00 -1.18 0.00 0.00 61.69 58.67 1pp0 s THR 2123Cb -0.00 -1.74 0.09 0.00 1.34 0.00 0.00 72.50 72.19 1pp0 s THR 2123CO -0.08 -0.37 0.04 0.21 -0.54 0.00 0.00 174.62 173.89 1pp0 s ASN 2124N -2.62 4.78 0.29 3.99 3.04 -0.27 -4.97 114.94 119.18 1pp0 s ASN 2124Ca 0.13 -2.02 0.03 0.00 0.04 0.00 0.00 52.86 51.05 1pp0 s ASN 2124Cb -0.05 -1.64 0.63 0.00 -1.54 0.00 0.00 41.25 38.65 1pp0 s ASN 2124CO 0.05 -0.37 1.79 0.78 -3.04 0.00 0.00 177.10 176.31 1pp0 h ASN 2125N 7.69 0.76 0.23 -4.21 4.21 -1.96 0.70 115.58 123.01 1pp0 h ASN 2125Ca -0.08 0.08 -0.01 0.00 1.21 0.00 0.00 56.30 57.51 1pp0 h ASN 2125Cb 1.03 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 38.17 1pp0 h ASN 2125CO 0.53 0.32 -0.11 0.58 -1.29 0.00 0.00 177.43 177.47 1pp0 h VAL 2126N 0.80 0.00 0.00 2.81 2.07 -1.96 -3.14 116.25 116.83 1pp0 h VAL 2126Ca 0.53 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.98 1pp0 h VAL 2126Cb 0.72 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1pp0 h VAL 2126CO -0.34 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.54 1pp0 n LYS 2127N -3.01 0.11 -2.88 1.57 5.02 -1.17 -4.86 118.16 112.94 1pp0 n LYS 2127Ca -0.04 0.44 -0.21 0.00 -2.02 0.00 0.00 58.31 56.48 1pp0 n LYS 2127Cb 0.12 -1.76 0.02 0.00 -0.02 0.00 0.00 35.03 33.39 1pp0 n LYS 2127CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1pp0 n LYS 2128N -1.97 -3.71 -2.55 1.97 5.02 0.24 -4.98 118.16 112.18 1pp0 n LYS 2128Ca 0.01 0.83 -0.07 0.00 -2.02 0.00 0.00 58.31 57.07 1pp0 n LYS 2128Cb 0.14 -5.60 -0.01 0.00 -0.02 0.00 0.00 35.03 29.53 1pp0 n LYS 2128CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1pp0 n ASN 2129N -2.31 2.27 -3.71 4.39 2.04 -1.13 -3.85 115.26 112.96 1pp0 n ASN 2129Ca -0.13 -1.46 -0.09 0.00 -0.44 0.00 0.00 54.58 52.47 1pp0 n ASN 2129Cb 0.62 0.07 -0.03 0.00 -2.53 0.00 0.00 39.78 37.92 1pp0 n ASN 2129CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 1pp0 s SER 2130N -1.57 -0.06 0.22 0.53 1.04 -0.98 -1.11 113.70 111.76 1pp0 s SER 2130Ca 0.00 -0.88 -0.18 0.00 0.48 0.00 0.00 55.95 55.37 1pp0 s SER 2130Cb 0.00 0.69 0.02 0.00 0.10 0.00 0.00 66.02 66.84 1pp0 s SER 2130CO 0.00 -1.33 0.55 -0.94 0.98 0.00 0.00 173.24 172.51 1pp0 s SER 2131N -3.00 -0.24 -0.03 7.02 1.04 -0.25 -1.61 113.70 116.63 1pp0 s SER 2131Ca 0.17 -0.55 0.01 0.00 0.48 0.00 0.00 55.95 56.06 1pp0 s SER 2131Cb -0.03 0.60 0.01 0.00 0.10 0.00 0.00 66.02 66.70 1pp0 s SER 2131CO 0.10 -1.11 -0.04 0.26 0.98 0.00 0.00 173.24 173.42 1pp0 s TRP 2132N -3.90 0.57 -0.19 5.02 0.52 -0.47 -1.39 118.94 119.08 1pp0 s TRP 2132Ca 0.11 -0.12 -0.08 0.00 0.02 0.00 0.00 56.10 56.03 1pp0 s TRP 2132Cb -0.02 -0.48 -0.04 0.00 -1.15 0.00 0.00 33.47 31.78 1pp0 s TRP 2132CO 0.00 -0.11 0.08 -2.00 0.02 0.00 0.00 176.95 174.95 1pp0 s GLU 2133N 0.53 4.00 -0.18 4.98 2.12 -0.48 -1.24 118.70 128.43 1pp0 s GLU 2133Ca -0.06 -0.32 -0.01 0.00 0.36 0.00 0.00 54.97 54.93 1pp0 s GLU 2133Cb -0.10 -3.29 0.00 0.00 0.26 0.00 0.00 34.13 31.01 1pp0 s GLU 2133CO -0.00 0.23 -0.13 -0.47 -0.54 0.00 0.00 175.26 174.34 1pp0 s TYR 2134N 0.51 2.84 -0.23 5.30 5.04 0.40 -1.26 117.35 129.95 1pp0 s TYR 2134Ca 0.04 -1.19 -0.06 0.00 -2.44 0.00 0.00 57.07 53.43 1pp0 s TYR 2134Cb -0.12 -1.97 -0.02 0.00 0.35 0.00 0.00 41.96 40.20 1pp0 s TYR 2134CO 0.01 -0.60 0.02 1.03 -1.34 0.00 0.00 175.55 174.67 1pp0 s ARG 2135N 1.17 3.58 0.01 4.97 0.52 -0.16 -0.77 118.95 128.26 1pp0 s ARG 2135Ca 0.01 -0.52 0.01 0.00 -0.52 0.00 0.00 55.73 54.71 1pp0 s ARG 2135Cb -0.14 -3.17 -0.01 0.00 0.52 0.00 0.00 34.95 32.15 1pp0 s ARG 2135CO -0.05 -0.12 -0.03 0.54 0.02 0.00 0.00 175.30 175.65 1pp0 s VAL 2136N 1.37 0.24 -0.23 3.52 0.11 -0.21 -0.87 120.40 124.33 1pp0 s VAL 2136Ca 0.05 -0.34 0.00 0.00 -2.93 0.00 0.00 61.98 58.76 1pp0 s VAL 2136Cb -0.15 -0.25 0.06 0.00 -1.53 0.00 0.00 36.38 34.52 1pp0 s VAL 2136CO 0.01 -0.07 -0.04 -0.22 -3.33 0.00 0.00 175.10 171.46 1pp0 s LEU 2137N -0.43 2.49 -0.03 2.54 0.20 -0.14 -0.89 118.68 122.41 1pp0 s LEU 2137Ca -0.03 -1.18 -0.16 0.00 0.69 0.00 0.00 54.13 53.46 1pp0 s LEU 2137Cb -0.03 -1.13 -0.05 0.00 -0.43 0.00 0.00 46.19 44.54 1pp0 s LEU 2137CO -0.00 -0.25 0.42 -0.36 -0.29 0.00 0.00 176.35 175.87 1pp0 s PHE 2138N 1.43 3.67 -0.01 5.38 0.40 -0.73 -1.00 117.98 127.13 1pp0 s PHE 2138Ca -0.05 0.96 0.02 0.00 -0.60 0.00 0.00 56.93 57.26 1pp0 s PHE 2138Cb -0.19 -2.36 -0.00 0.00 0.51 0.00 0.00 43.02 40.98 1pp0 s PHE 2138CO -0.07 0.51 -0.05 -1.12 0.70 0.00 0.00 175.22 175.19 1pp0 s SER 2139N -0.59 0.63 -0.07 1.36 0.01 -0.81 0.37 113.70 114.59 1pp0 s SER 2139Ca 0.24 -0.09 -0.05 0.00 1.31 0.00 0.00 55.95 57.36 1pp0 s SER 2139Cb -0.16 -0.10 0.03 0.00 0.21 0.00 0.00 66.02 66.00 1pp0 s SER 2139CO 0.12 0.05 0.18 0.68 0.41 0.00 0.00 173.24 174.68 1pp0 s VAL 2140N -0.02 -0.02 0.59 3.43 -7.23 -0.47 -4.29 120.40 112.40 1pp0 s VAL 2140Ca 0.01 0.08 -0.16 0.00 -1.81 0.00 0.00 61.98 60.09 1pp0 s VAL 2140Cb -0.03 -0.26 -0.04 0.00 0.56 0.00 0.00 36.38 36.61 1pp0 s VAL 2140CO -0.00 0.03 1.07 -2.16 -0.31 0.00 0.00 175.10 173.73 1pp0 s PRO 2141N 0.59 3.27 0.31 4.82 0.04 -1.26 -0.41 135.00 142.36 1pp0 s PRO 2141Ca -0.04 1.28 0.04 0.00 0.04 0.00 0.00 61.00 62.32 1pp0 s PRO 2141Cb -0.06 -2.02 0.51 0.00 0.04 0.00 0.00 34.50 32.97 1pp0 s PRO 2141CO -0.03 -0.86 1.78 0.74 0.04 0.00 0.00 177.00 178.67 1pp0 h PHE 2142N 0.53 0.47 0.00 0.56 -1.00 -1.48 -3.45 116.94 112.56 1pp0 h PHE 2142Ca -0.47 -0.08 0.00 0.00 2.81 0.00 0.00 57.97 60.22 1pp0 h PHE 2142Cb 1.23 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 40.67 1pp0 h PHE 2142CO 0.57 0.61 0.00 0.41 -1.61 0.00 0.00 178.31 178.29 1pp0 n GLY 2143N -0.52 -0.50 0.09 -1.45 0.00 -1.26 -4.73 105.19 96.81 1pp0 n GLY 2143Ca -0.00 -2.24 0.07 0.00 0.00 0.00 0.00 46.02 43.86 1pp0 n GLY 2143CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pp0 n ASP 2144N 0.00 0.35 0.05 1.61 8.00 -1.26 -1.62 116.55 123.67 1pp0 n ASP 2144Ca 0.00 0.63 0.13 0.00 0.71 0.00 0.00 54.79 56.26 1pp0 n ASP 2144Cb 0.00 -0.69 0.35 0.00 -0.02 0.00 0.00 41.12 40.76 1pp0 n ASP 2144CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1pp0 n ASN 2145N -1.93 0.55 -2.89 -2.24 3.02 -1.26 -4.35 115.26 106.16 1pp0 n ASN 2145Ca 0.00 0.28 -0.13 0.00 -0.03 0.00 0.00 54.58 54.70 1pp0 n ASN 2145Cb 0.08 -0.26 0.01 0.00 -0.61 0.00 0.00 39.78 39.00 1pp0 n ASN 2145CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pp0 n ALA 2146N -1.69 -0.22 0.20 5.41 0.00 -0.64 -5.02 120.51 118.55 1pp0 n ALA 2146Ca 0.05 -2.01 0.18 0.00 0.00 0.00 0.00 53.44 51.66 1pp0 n ALA 2146Cb 0.40 -1.18 0.78 0.00 0.00 0.00 0.00 19.45 19.45 1pp0 n ALA 2146CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1pp0 h PRO 2147N 4.07 0.00 -0.01 0.00 0.11 -1.68 -2.05 132.00 132.43 1pp0 h PRO 2147Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1pp0 h PRO 2147Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1pp0 h PRO 2147CO 0.36 0.00 -0.17 0.43 -0.21 0.00 0.00 178.00 178.40 1pp0 n SER 2148N -3.36 0.93 -4.53 -2.05 7.64 -1.26 -4.94 113.62 106.05 1pp0 n SER 2148Ca 0.03 -0.90 -0.28 0.00 1.01 0.00 0.00 58.87 58.73 1pp0 n SER 2148Cb 0.50 0.06 -0.10 0.00 -1.01 0.00 0.00 64.21 63.66 1pp0 n SER 2148CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1pp0 s TYR 2149N -2.41 2.58 0.09 1.43 2.02 -0.77 -0.22 117.35 120.06 1pp0 s TYR 2149Ca 0.28 -0.24 -0.15 0.00 -0.37 0.00 0.00 57.07 56.59 1pp0 s TYR 2149Cb 0.20 -1.31 0.03 0.00 -0.40 0.00 0.00 41.96 40.48 1pp0 s TYR 2149CO 0.48 0.46 0.35 -0.59 -1.57 0.00 0.00 175.55 174.68 1pp0 s PHE 2150N -1.46 -0.15 -0.01 2.71 -0.71 -0.44 -1.45 117.98 116.47 1pp0 s PHE 2150Ca 0.22 -0.09 -0.08 0.00 -1.04 0.00 0.00 56.93 55.93 1pp0 s PHE 2150Cb -0.10 0.17 -0.05 0.00 -1.21 0.00 0.00 43.02 41.84 1pp0 s PHE 2150CO 0.13 -0.61 0.28 0.71 -1.34 0.00 0.00 175.22 174.38 1pp0 s TYR 2151N -3.30 3.60 -0.07 3.49 2.02 0.45 -0.63 117.35 122.91 1pp0 s TYR 2151Ca 0.00 0.63 0.02 0.00 -0.37 0.00 0.00 57.07 57.35 1pp0 s TYR 2151Cb 0.01 -2.03 0.02 0.00 -0.40 0.00 0.00 41.96 39.56 1pp0 s TYR 2151CO -0.08 0.63 -0.11 -1.12 -1.57 0.00 0.00 175.55 173.30 1pp0 s SER 2152N -1.53 1.75 -0.35 2.29 0.01 -0.41 -1.36 113.70 114.10 1pp0 s SER 2152Ca 0.26 -0.28 -0.01 0.00 1.31 0.00 0.00 55.95 57.23 1pp0 s SER 2152Cb -0.13 -0.79 0.09 0.00 0.21 0.00 0.00 66.02 65.39 1pp0 s SER 2152CO 0.14 -0.00 0.09 -0.22 0.41 0.00 0.00 173.24 173.66 1pp0 s LEU 2153N 0.86 4.61 -0.37 2.44 2.96 0.16 -0.45 118.68 128.88 1pp0 s LEU 2153Ca -0.11 -1.78 -0.29 0.00 -0.22 0.00 0.00 54.13 51.73 1pp0 s LEU 2153Cb -0.15 -1.73 0.02 0.00 0.50 0.00 0.00 46.19 44.83 1pp0 s LEU 2153CO 0.01 -0.40 1.07 -0.69 -1.32 0.00 0.00 176.35 175.03 1pp0 s VAL 2154N 1.12 4.44 -0.03 1.68 1.01 -0.21 -1.77 120.40 126.65 1pp0 s VAL 2154Ca 0.04 1.52 0.05 0.00 0.00 0.00 0.00 61.98 63.59 1pp0 s VAL 2154Cb -0.21 -4.46 -0.01 0.00 0.00 0.00 0.00 36.38 31.71 1pp0 s VAL 2154CO -0.04 -0.63 -0.17 -0.89 0.00 0.00 0.00 175.10 173.37 1pp0 s THR 2155N 3.85 1.36 -0.01 3.92 2.01 -0.07 -0.93 115.64 125.77 1pp0 s THR 2155Ca 0.45 -0.71 0.04 0.00 0.31 0.00 0.00 61.69 61.78 1pp0 s THR 2155Cb -0.11 -1.15 -0.01 0.00 0.01 0.00 0.00 72.50 71.25 1pp0 s THR 2155CO 0.20 0.39 -0.13 0.42 -0.69 0.00 0.00 174.62 174.81 1pp0 s THR 2156N -0.21 1.01 -0.12 -0.82 -4.23 -0.14 -1.04 115.64 110.10 1pp0 s THR 2156Ca 0.02 -0.58 -0.01 0.00 -1.18 0.00 0.00 61.69 59.94 1pp0 s THR 2156Cb -0.09 -0.85 0.03 0.00 1.34 0.00 0.00 72.50 72.93 1pp0 s THR 2156CO 0.00 0.26 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.67 1pp0 s ILE 2157N -0.35 0.86 -0.28 2.99 1.01 0.05 -1.43 121.20 124.05 1pp0 s ILE 2157Ca 0.05 -0.29 -0.05 0.00 0.00 0.00 0.00 60.65 60.36 1pp0 s ILE 2157Cb -0.05 -0.98 0.01 0.00 0.01 0.00 0.00 42.46 41.45 1pp0 s ILE 2157CO -0.00 0.26 0.04 -0.22 0.00 0.00 0.00 174.94 175.01 1pp0 s LEU 2158N 1.76 3.63 -0.16 2.97 2.96 -0.04 -0.45 118.68 129.35 1pp0 s LEU 2158Ca 0.04 -0.72 -0.03 0.00 -0.22 0.00 0.00 54.13 53.20 1pp0 s LEU 2158Cb -0.13 -1.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 1pp0 s LEU 2158CO -0.07 -0.16 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.10 1pp0 s ILE 2159N 1.46 3.60 -0.03 6.68 1.01 -0.37 -1.01 121.20 132.54 1pp0 s ILE 2159Ca 0.02 -0.46 0.05 0.00 0.00 0.00 0.00 60.65 60.27 1pp0 s ILE 2159Cb -0.17 -2.57 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 1pp0 s ILE 2159CO 0.00 0.49 -0.17 -0.89 0.00 0.00 0.00 174.94 174.37 1pp0 s THR 2160N 0.57 2.83 0.07 2.92 2.01 0.04 -1.37 115.64 122.71 1pp0 s THR 2160Ca -0.04 -0.88 -0.06 0.00 0.31 0.00 0.00 61.69 61.02 1pp0 s THR 2160Cb -0.15 -2.10 -0.02 0.00 0.01 0.00 0.00 72.50 70.24 1pp0 s THR 2160CO 0.03 0.54 0.11 0.00 -0.69 0.00 0.00 174.62 174.61 1pp0 s ALA 2161N -0.75 0.04 -1.51 7.40 0.00 -0.63 -0.26 121.76 126.05 1pp0 s ALA 2161Ca 0.12 -0.83 -0.10 0.00 0.00 0.00 0.00 51.96 51.15 1pp0 s ALA 2161Cb -0.10 0.41 -0.10 0.00 0.00 0.00 0.00 23.12 23.32 1pp0 s ALA 2161CO 0.01 -0.46 2.99 -0.40 0.00 0.00 0.00 175.76 177.90 1pp0 n ASP 2162N 0.01 8.46 -4.13 0.00 5.75 -1.13 -2.60 116.55 122.90 1pp0 n ASP 2162Ca -0.15 -2.56 -0.32 0.00 -0.01 0.00 0.00 54.79 51.75 1pp0 n ASP 2162Cb 0.62 -1.54 -0.16 0.00 -1.03 0.00 0.00 41.12 39.01 1pp0 n ASP 2162CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1pp0 s ILE 2163N 2.12 2.01 0.01 2.12 1.01 -1.26 -4.91 121.20 122.30 1pp0 s ILE 2163Ca 0.69 -0.93 -0.19 0.00 0.00 0.00 0.00 60.65 60.23 1pp0 s ILE 2163Cb 0.19 -1.80 -0.26 0.00 0.01 0.00 0.00 42.46 40.60 1pp0 s ILE 2163CO -0.06 0.54 1.06 -0.08 0.00 0.00 0.00 174.94 176.40 1pp0 h GLU 2164N 7.65 0.45 -6.30 2.79 4.81 -1.87 -2.61 114.58 119.50 1pp0 h GLU 2164Ca -0.39 -0.56 -0.63 0.00 -0.13 0.00 0.00 59.36 57.65 1pp0 h GLU 2164Cb 1.16 0.18 -0.11 0.00 0.63 0.00 0.00 28.75 30.61 1pp0 h GLU 2164CO 0.59 1.21 -0.64 -1.21 -0.73 0.00 0.00 179.01 178.23 1pp0 s GLU 2165N -3.01 2.63 0.25 1.92 8.01 -1.26 -4.78 118.70 122.46 1pp0 s GLU 2165Ca -0.12 -0.86 -0.03 0.00 0.01 0.00 0.00 54.97 53.96 1pp0 s GLU 2165Cb 0.04 -2.56 0.42 0.00 -4.31 0.00 0.00 34.13 27.72 1pp0 s GLU 2165CO 0.85 0.52 1.83 -0.22 0.01 0.00 0.00 175.26 178.25 1pp0 h LYS 2166N 3.14 0.87 0.00 1.61 3.64 -1.97 0.10 116.57 123.96 1pp0 h LYS 2166Ca -0.47 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1pp0 h LYS 2166Cb 1.18 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 1pp0 h LYS 2166CO 0.61 0.58 0.00 1.79 -2.27 0.00 0.00 179.45 180.16 1pp0 h THR 2167N 0.90 0.00 0.00 1.00 1.35 -1.98 -1.26 112.91 112.92 1pp0 h THR 2167Ca 0.42 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 66.17 1pp0 h THR 2167Cb 0.34 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1pp0 h THR 2167CO -0.23 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.65 1pp0 n GLY 2168N -0.81 -1.13 0.02 5.82 0.00 0.35 -2.09 105.19 107.35 1pp0 n GLY 2168Ca -0.01 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.12 1pp0 n GLY 2168CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1pp0 n TRP 2169N -1.76 0.16 -2.32 1.61 7.02 -0.47 -4.90 117.44 116.78 1pp0 n TRP 2169Ca 0.03 0.05 -0.41 0.00 -1.02 0.00 0.00 57.50 56.15 1pp0 n TRP 2169Cb 0.20 -0.34 -0.03 0.00 -2.42 0.00 0.00 31.31 28.72 1pp0 n TRP 2169CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 1pp0 s TRP 2170N -3.09 3.36 -0.82 -5.99 0.23 -0.89 -3.55 118.94 108.20 1pp0 s TRP 2170Ca 0.08 1.51 0.00 0.00 -2.03 0.00 0.00 56.10 55.65 1pp0 s TRP 2170Cb 0.16 -3.46 0.00 0.00 0.03 0.00 0.00 33.47 30.20 1pp0 s TRP 2170CO 0.76 -1.20 0.00 0.41 0.96 0.00 0.00 176.95 177.88 1pp0 n GLY 2171N 1.43 0.19 3.77 0.98 0.00 -1.26 -5.00 105.19 105.30 1pp0 n GLY 2171Ca 0.01 -0.52 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 1pp0 n GLY 2171CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pp0 s LEU 2172N -2.54 4.13 0.38 0.99 1.43 -1.23 -5.03 118.68 116.81 1pp0 s LEU 2172Ca 0.00 2.32 0.06 0.00 -1.03 0.00 0.00 54.13 55.48 1pp0 s LEU 2172Cb 0.00 -4.10 -0.07 0.00 0.03 0.00 0.00 46.19 42.04 1pp0 s LEU 2172CO 0.00 -0.75 0.02 0.42 0.23 0.00 0.00 176.35 176.27 1pp0 s THR 2173N -1.47 1.79 0.54 5.49 -4.23 -1.26 -4.50 115.64 111.99 1pp0 s THR 2173Ca 0.59 -2.01 0.35 0.00 -1.18 0.00 0.00 61.69 59.44 1pp0 s THR 2173Cb -0.30 -2.93 0.38 0.00 1.34 0.00 0.00 72.50 71.00 1pp0 s THR 2173CO 0.37 -0.01 2.24 0.77 -0.54 0.00 0.00 174.62 177.44 1pp0 h SER 2174N 1.88 0.00 0.05 3.99 4.64 -1.95 -2.07 113.55 120.09 1pp0 h SER 2174Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1pp0 h SER 2174Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1pp0 h SER 2174CO 0.77 0.03 -0.28 -1.54 -0.87 0.00 0.00 176.83 174.95 1pp0 n SER 2175N -3.48 1.88 -4.72 4.97 3.41 -1.26 -0.75 113.62 113.66 1pp0 n SER 2175Ca -0.02 -1.44 -0.42 0.00 -0.26 0.00 0.00 58.87 56.73 1pp0 n SER 2175Cb 0.13 0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 64.29 1pp0 n SER 2175CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1pp0 s THR 2176N -2.34 2.42 -0.17 6.66 2.01 -0.78 -4.73 115.64 118.71 1pp0 s THR 2176Ca 0.24 0.30 -0.07 0.00 0.31 0.00 0.00 61.69 62.48 1pp0 s THR 2176Cb 0.19 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 69.47 1pp0 s THR 2176CO 0.48 0.02 0.04 -0.75 -0.69 0.00 0.00 174.62 173.73 1pp0 s LYS 2177N 1.16 3.89 0.24 4.92 2.20 -1.26 -0.91 119.74 129.97 1pp0 s LYS 2177Ca 0.72 -0.37 -0.11 0.00 -0.36 0.00 0.00 55.97 55.84 1pp0 s LYS 2177Cb -0.46 -3.15 -0.01 0.00 -1.51 0.00 0.00 37.83 32.71 1pp0 s LYS 2177CO 0.31 0.29 0.43 0.15 -0.36 0.00 0.00 175.35 176.17 1pp0 s LYS 2178N 0.29 1.49 -0.86 4.03 -0.14 -0.83 -4.94 119.74 118.78 1pp0 s LYS 2178Ca 0.02 -1.29 -0.20 0.00 -1.36 0.00 0.00 55.97 53.14 1pp0 s LYS 2178Cb -0.13 0.44 0.11 0.00 -1.68 0.00 0.00 37.83 36.57 1pp0 s LYS 2178CO 0.01 -0.60 1.10 1.21 -0.76 0.00 0.00 175.35 176.31 1pp0 s ASN 2179N -3.03 6.49 -0.14 2.83 2.47 -1.26 -1.44 114.94 120.86 1pp0 s ASN 2179Ca 0.24 -1.72 -0.09 0.00 0.42 0.00 0.00 52.86 51.71 1pp0 s ASN 2179Cb 0.00 -2.41 -0.05 0.00 -1.45 0.00 0.00 41.25 37.34 1pp0 s ASN 2179CO 0.09 -1.20 0.17 -0.36 -3.72 0.00 0.00 177.10 172.09 1pp0 s PHE 2180N 3.21 3.54 0.12 0.43 0.08 -0.89 -2.83 117.98 121.63 1pp0 s PHE 2180Ca 0.31 0.51 0.11 0.00 0.12 0.00 0.00 56.93 57.97 1pp0 s PHE 2180Cb -0.08 -2.08 -0.04 0.00 -0.57 0.00 0.00 43.02 40.26 1pp0 s PHE 2180CO -0.04 0.54 -0.26 0.00 -0.10 0.00 0.00 175.22 175.36 1pp0 s ALA 2181N -0.44 2.40 0.01 5.36 0.00 0.64 -1.50 121.76 128.22 1pp0 s ALA 2181Ca 0.14 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 50.65 1pp0 s ALA 2181Cb -0.12 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.58 1pp0 s ALA 2181CO 0.03 0.54 -0.02 0.08 0.00 0.00 0.00 175.76 176.39 1pp0 s VAL 2182N -1.05 0.15 -0.09 0.00 1.01 -1.03 -0.78 120.40 118.61 1pp0 s VAL 2182Ca 0.14 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.75 1pp0 s VAL 2182Cb -0.10 -0.19 0.03 0.00 0.00 0.00 0.00 36.38 36.12 1pp0 s VAL 2182CO 0.06 -0.14 -0.04 -1.58 0.00 0.00 0.00 175.10 173.40 1pp0 s GLN 2183N -0.53 1.07 -0.10 2.72 0.74 -0.18 -0.43 119.66 122.95 1pp0 s GLN 2183Ca -0.04 -0.08 0.01 0.00 0.05 0.00 0.00 55.36 55.29 1pp0 s GLN 2183Cb -0.04 -1.26 -0.02 0.00 1.10 0.00 0.00 33.01 32.79 1pp0 s GLN 2183CO -0.00 -0.27 -0.12 0.42 -0.55 0.00 0.00 175.29 174.77 1pp0 s ILE 2184N 1.77 3.23 -0.04 -2.34 1.01 0.67 -0.86 121.20 124.65 1pp0 s ILE 2184Ca 0.04 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.07 1pp0 s ILE 2184Cb -0.13 -2.33 0.02 0.00 0.01 0.00 0.00 42.46 40.03 1pp0 s ILE 2184CO -0.06 0.55 -0.05 -1.81 0.00 0.00 0.00 174.94 173.57 1pp0 s ASP 2185N -0.14 0.93 -0.13 3.58 1.01 -0.52 -0.86 116.67 120.54 1pp0 s ASP 2185Ca -0.00 -0.13 -0.07 0.00 0.71 0.00 0.00 52.55 53.06 1pp0 s ASP 2185Cb -0.13 -0.42 0.05 0.00 1.01 0.00 0.00 42.92 43.43 1pp0 s ASP 2185CO 0.03 -0.03 0.32 0.00 0.21 0.00 0.00 175.17 175.70 1pp0 s ALA 2186N 0.75 -0.77 -0.16 5.23 0.00 -0.19 -0.96 121.76 125.66 1pp0 s ALA 2186Ca -0.10 1.22 0.01 0.00 0.00 0.00 0.00 51.96 53.09 1pp0 s ALA 2186Cb -0.13 -0.78 0.02 0.00 0.00 0.00 0.00 23.12 22.23 1pp0 s ALA 2186CO 0.00 -0.25 -0.18 -1.17 0.00 0.00 0.00 175.76 174.16 1pp0 s LEU 2187N 1.38 1.94 -0.18 0.00 0.20 -0.10 -0.94 118.68 120.98 1pp0 s LEU 2187Ca -0.09 -0.57 -0.14 0.00 0.69 0.00 0.00 54.13 54.02 1pp0 s LEU 2187Cb -0.10 -1.34 -0.04 0.00 -0.43 0.00 0.00 46.19 44.28 1pp0 s LEU 2187CO -0.10 -0.00 0.31 -0.70 -0.29 0.00 0.00 176.35 175.57 1pp0 s GLU 2188N 1.24 4.23 0.11 1.98 2.12 0.45 -1.04 118.70 127.79 1pp0 s GLU 2188Ca 0.02 0.10 0.10 0.00 0.36 0.00 0.00 54.97 55.55 1pp0 s GLU 2188Cb -0.14 -3.46 -0.04 0.00 0.26 0.00 0.00 34.13 30.75 1pp0 s GLU 2188CO -0.09 0.15 -0.26 -0.51 -0.54 0.00 0.00 175.26 174.00 1pp0 s LEU 2189N 0.74 2.28 -0.23 2.70 1.43 0.40 -1.08 118.68 124.91 1pp0 s LEU 2189Ca 0.17 -0.71 -0.05 0.00 -1.03 0.00 0.00 54.13 52.51 1pp0 s LEU 2189Cb -0.13 -1.21 -0.01 0.00 0.03 0.00 0.00 46.19 44.86 1pp0 s LEU 2189CO 0.05 0.19 -0.00 -0.69 0.23 0.00 0.00 176.35 176.13 1pp0 s VAL 2190N -1.01 3.68 0.05 -1.59 1.01 -0.32 -1.29 120.40 120.94 1pp0 s VAL 2190Ca 0.13 -0.40 0.08 0.00 0.00 0.00 0.00 61.98 61.79 1pp0 s VAL 2190Cb -0.10 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 1pp0 s VAL 2190CO 0.05 0.38 -0.19 -0.69 0.00 0.00 0.00 175.10 174.65 1pp0 s VAL 2191N 1.52 2.70 0.02 2.92 1.01 0.20 -0.75 120.40 128.03 1pp0 s VAL 2191Ca 0.06 -1.27 0.06 0.00 0.00 0.00 0.00 61.98 60.83 1pp0 s VAL 2191Cb -0.15 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 1pp0 s VAL 2191CO -0.01 0.30 -0.14 -0.75 0.00 0.00 0.00 175.10 174.50 1pp0 s LYS 2192N -1.52 2.24 0.15 2.72 2.20 -0.18 -1.33 119.74 124.02 1pp0 s LYS 2192Ca 0.15 -0.89 -0.34 0.00 -0.36 0.00 0.00 55.97 54.53 1pp0 s LYS 2192Cb -0.10 -2.29 -0.16 0.00 -1.51 0.00 0.00 37.83 33.77 1pp0 s LYS 2192CO 0.05 0.56 1.29 1.17 -0.36 0.00 0.00 175.35 178.07 1pp0 n LYS 2193N 1.60 1.34 0.00 4.03 4.81 0.69 -1.66 118.16 128.97 1pp0 n LYS 2193Ca -0.16 0.48 0.00 0.00 -0.87 0.00 0.00 58.31 57.76 1pp0 n LYS 2193Cb 0.52 -2.07 0.00 0.00 0.02 0.00 0.00 35.03 33.50 1pp0 n LYS 2193CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pp0 n GLY 2194N 2.33 1.72 3.68 3.14 0.00 -1.26 -5.02 105.19 109.78 1pp0 n GLY 2194Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 1pp0 n GLY 2194CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1pp0 n PHE 2195N -1.05 2.30 -4.85 1.61 7.35 -0.66 -4.99 117.46 117.17 1pp0 n PHE 2195Ca 0.00 0.37 -0.27 0.00 -0.76 0.00 0.00 57.45 56.79 1pp0 n PHE 2195Cb 0.00 -2.50 -0.16 0.00 0.35 0.00 0.00 39.48 37.17 1pp0 n PHE 2195CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1pp0 s LYS 2196N -0.15 1.94 0.18 -4.13 -0.14 -1.26 -4.66 119.74 111.53 1pp0 s LYS 2196Ca 0.70 -0.61 -0.33 0.00 -1.36 0.00 0.00 55.97 54.36 1pp0 s LYS 2196Cb -0.63 -1.63 -0.14 0.00 -1.68 0.00 0.00 37.83 33.76 1pp0 s LYS 2196CO 0.47 0.20 1.55 0.00 -0.76 0.00 0.00 175.35 176.80 1pp0 n ALA 2197N 3.31 1.38 0.00 5.17 0.00 -1.26 -5.06 120.51 124.05 1pp0 n ALA 2197Ca -0.19 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1pp0 n ALA 2197Cb 0.53 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1pp0 n ALA 2197CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20