#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dps n ASP 2005N 0.00 0.80 -4.25 -3.46 8.00 -0.45 -4.89 116.55 112.29 3dps n ASP 2005Ca 0.00 0.42 -0.15 0.00 0.71 0.00 0.00 54.79 55.77 3dps n ASP 2005Cb 0.00 -0.47 -0.10 0.00 -0.02 0.00 0.00 41.12 40.53 3dps n ASP 2005CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3dps s VAL 2006N -3.13 1.24 0.28 2.53 -7.23 -1.24 -5.06 120.40 107.79 3dps s VAL 2006Ca 0.09 -1.98 0.05 0.00 -1.81 0.00 0.00 61.98 58.33 3dps s VAL 2006Cb 0.12 -1.77 0.03 0.00 0.56 0.00 0.00 36.38 35.32 3dps s VAL 2006CO 0.64 -0.66 1.68 -0.26 -0.31 0.00 0.00 175.10 176.19 3dps h PHE 2007N 2.96 0.34 0.00 2.82 0.04 -1.95 -3.40 116.94 117.74 3dps h PHE 2007Ca -0.37 -0.09 -0.04 0.00 2.80 0.00 0.00 57.97 60.27 3dps h PHE 2007Cb 1.19 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 39.26 3dps h PHE 2007CO 0.66 0.66 -1.13 0.72 -0.60 0.00 0.00 178.31 178.62 3dps n HIS 2008N -4.02 0.00 0.30 -0.55 8.25 -1.26 -4.83 115.22 113.11 3dps n HIS 2008Ca -0.02 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.58 3dps n HIS 2008Cb 0.49 -0.09 0.37 0.00 1.12 0.00 0.00 29.99 31.88 3dps n HIS 2008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3dps h LEU 2009N 0.00 0.00 0.32 2.41 3.38 -1.92 -3.45 115.31 116.05 3dps h LEU 2009Ca -0.05 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.76 3dps h LEU 2009Cb 1.08 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.85 3dps h LEU 2009CO -0.01 0.00 -0.22 0.61 0.09 0.00 0.00 178.44 178.91 3dps n GLY 2010N 0.75 0.18 3.33 0.83 0.00 -1.26 -4.70 105.19 104.33 3dps n GLY 2010Ca 0.03 -0.47 -0.21 0.00 0.00 0.00 0.00 46.02 45.37 3dps n GLY 2010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dps s LEU 2011N -2.71 2.46 0.35 0.99 1.43 -1.26 -4.87 118.68 115.07 3dps s LEU 2011Ca 0.09 -0.89 0.09 0.00 -1.03 0.00 0.00 54.13 52.38 3dps s LEU 2011Cb -0.04 -0.80 -0.05 0.00 0.03 0.00 0.00 46.19 45.33 3dps s LEU 2011CO 0.11 -0.06 0.06 0.42 0.23 0.00 0.00 176.35 177.11 3dps s THR 2012N -2.21 2.65 0.23 5.49 -4.23 -1.26 -1.34 115.64 114.97 3dps s THR 2012Ca 0.17 -1.89 -0.08 0.00 -1.18 0.00 0.00 61.69 58.71 3dps s THR 2012Cb -0.05 -2.86 0.21 0.00 1.34 0.00 0.00 72.50 71.14 3dps s THR 2012CO 0.07 -0.17 1.91 0.50 -0.54 0.00 0.00 174.62 176.38 3dps h LYS 2013N 1.71 1.16 -0.83 3.99 3.64 -1.96 -2.14 116.57 122.14 3dps h LYS 2013Ca -0.43 -0.07 0.11 0.00 -1.27 0.00 0.00 60.65 58.99 3dps h LYS 2013Cb 1.25 -0.26 -0.06 0.00 -0.41 0.00 0.00 32.23 32.75 3dps h LYS 2013CO 0.67 0.77 0.54 -0.97 -2.27 0.00 0.00 179.45 178.18 3dps h ASN 2014N 1.19 0.65 -0.55 4.20 -1.24 -1.95 -1.14 115.58 116.75 3dps h ASN 2014Ca 0.32 0.02 0.14 0.00 0.71 0.00 0.00 56.30 57.49 3dps h ASN 2014Cb -0.14 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 38.78 3dps h ASN 2014CO -0.07 0.37 0.38 0.44 -1.29 0.00 0.00 177.43 177.26 3dps h ASP 2015N 0.71 0.12 1.81 1.15 3.45 -1.78 -1.85 116.42 120.02 3dps h ASP 2015Ca 0.39 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.86 3dps h ASP 2015Cb 0.55 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.30 3dps h ASP 2015CO -0.16 0.06 0.00 -0.07 -1.57 0.00 0.00 179.24 177.50 3dps h LEU 2016N 0.13 0.00 -1.48 1.55 4.07 -1.28 -3.48 115.31 114.83 3dps h LEU 2016Ca 0.26 0.00 -0.55 0.00 0.08 0.00 0.00 57.88 57.67 3dps h LEU 2016Cb 0.86 0.00 -0.18 0.00 1.08 0.00 0.00 40.66 42.42 3dps h LEU 2016CO -0.03 0.00 -0.87 0.00 -1.08 0.00 0.00 178.44 176.46 3dps n GLN 2017N -3.01 -2.73 -0.55 1.13 6.02 -0.70 -1.42 117.38 116.13 3dps n GLN 2017Ca 0.04 0.33 0.00 0.00 -0.01 0.00 0.00 57.00 57.35 3dps n GLN 2017Cb 0.49 -4.71 0.00 0.00 1.02 0.00 0.00 30.24 27.04 3dps n GLN 2017CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dps n GLY 2018N -1.70 0.75 3.75 1.08 0.00 -1.26 -4.61 105.19 103.20 3dps n GLY 2018Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 3dps n GLY 2018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dps n ALA 2019N -0.35 1.93 -0.30 4.61 0.00 -0.51 -4.85 120.51 121.04 3dps n ALA 2019Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.74 3dps n ALA 2019Cb 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.09 3dps n ALA 2019CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3dps n GLN 2020N 0.19 -0.45 -4.52 0.00 6.02 -1.26 -4.27 117.38 113.09 3dps n GLN 2020Ca 0.04 -0.33 -0.22 0.00 -0.01 0.00 0.00 57.00 56.48 3dps n GLN 2020Cb 0.39 -0.82 -0.15 0.00 1.02 0.00 0.00 30.24 30.68 3dps n GLN 2020CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3dps s LEU 2021N -0.06 1.87 0.01 1.08 0.20 -1.26 -0.82 118.68 119.69 3dps s LEU 2021Ca 0.00 -0.23 0.06 0.00 0.69 0.00 0.00 54.13 54.65 3dps s LEU 2021Cb 0.00 -0.66 -0.02 0.00 -0.43 0.00 0.00 46.19 45.08 3dps s LEU 2021CO 0.00 0.10 -0.19 0.00 -0.29 0.00 0.00 176.35 175.98 3dps s ALA 2022N 0.05 1.57 -0.21 5.97 0.00 -0.26 -1.45 121.76 127.42 3dps s ALA 2022Ca -0.01 -0.87 -0.10 0.00 0.00 0.00 0.00 51.96 50.97 3dps s ALA 2022Cb -0.08 -0.36 -0.05 0.00 0.00 0.00 0.00 23.12 22.63 3dps s ALA 2022CO 0.01 0.37 0.14 0.42 0.00 0.00 0.00 175.76 176.69 3dps s ILE 2023N -0.58 5.36 -0.58 0.00 1.01 0.30 -1.43 121.20 125.29 3dps s ILE 2023Ca 0.07 0.18 0.04 0.00 0.00 0.00 0.00 60.65 60.93 3dps s ILE 2023Cb -0.08 -3.47 0.16 0.00 0.01 0.00 0.00 42.46 39.09 3dps s ILE 2023CO 0.00 0.40 0.40 0.68 0.00 0.00 0.00 174.94 176.43 3dps s VAL 2024N 0.63 2.00 0.99 2.92 -7.23 0.53 -1.40 120.40 118.84 3dps s VAL 2024Ca 0.08 -3.55 -0.16 0.00 -1.81 0.00 0.00 61.98 56.53 3dps s VAL 2024Cb -0.12 -2.34 0.21 0.00 0.56 0.00 0.00 36.38 34.69 3dps s VAL 2024CO 0.01 -1.04 1.31 -2.16 -0.31 0.00 0.00 175.10 172.90 3dps s PRO 2025N -0.73 0.45 0.07 4.82 0.04 -1.24 -4.33 135.00 134.07 3dps s PRO 2025Ca 0.25 -0.38 -0.07 0.00 0.04 0.00 0.00 61.00 60.83 3dps s PRO 2025Cb -0.07 -1.82 -0.29 0.00 0.04 0.00 0.00 34.50 32.36 3dps s PRO 2025CO -0.14 -2.54 1.11 0.78 0.04 0.00 0.00 177.00 176.25 3dps h GLY 2026N -1.74 0.41 -3.21 0.56 0.00 -1.86 -1.53 103.07 95.70 3dps h GLY 2026Ca -0.44 -1.01 -0.49 0.00 0.00 0.00 0.00 47.33 45.38 3dps h GLY 2026CO 0.37 0.89 -0.77 0.51 0.00 0.00 0.00 176.54 177.54 3dps s ASP 2027N -7.26 2.55 0.41 0.19 1.47 -1.26 -1.46 116.67 111.30 3dps s ASP 2027Ca -0.05 -0.88 0.11 0.00 1.18 0.00 0.00 52.55 52.90 3dps s ASP 2027Cb 0.06 -0.14 0.88 0.00 -0.34 0.00 0.00 42.92 43.39 3dps s ASP 2027CO 0.90 -0.08 1.97 -0.65 0.68 0.00 0.00 175.17 177.99 3dps h PRO 2028N 3.17 0.19 -0.76 2.11 0.11 -1.92 -2.37 132.00 132.54 3dps h PRO 2028Ca -0.41 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3dps h PRO 2028Cb 1.21 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 3dps h PRO 2028CO 0.53 0.30 0.48 0.93 -0.21 0.00 0.00 178.00 180.03 3dps h GLU 2029N 0.19 1.02 -0.09 1.05 3.07 -2.00 -1.97 114.58 115.84 3dps h GLU 2029Ca 0.04 -0.08 -0.15 0.00 -0.50 0.00 0.00 59.36 58.68 3dps h GLU 2029Cb 0.29 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 3dps h GLU 2029CO 0.02 0.70 -0.58 -0.09 -1.40 0.00 0.00 179.01 177.65 3dps h ARG 2030N 1.03 0.30 -0.31 2.33 2.43 -1.88 -2.81 114.38 115.48 3dps h ARG 2030Ca 0.28 -0.20 0.04 0.00 -0.81 0.00 0.00 59.98 59.28 3dps h ARG 2030Cb -0.07 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 3dps h ARG 2030CO -0.06 0.80 0.10 0.28 -1.51 0.00 0.00 179.97 179.58 3dps h VAL 2031N 0.23 0.90 -0.73 0.20 2.07 -0.94 -1.41 116.25 116.57 3dps h VAL 2031Ca -0.00 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 3dps h VAL 2031Cb 1.09 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 3dps h VAL 2031CO 0.09 0.04 0.37 -0.08 0.02 0.00 0.00 177.57 178.01 3dps h GLU 2032N 0.23 1.03 -0.72 1.57 4.81 -1.21 -0.22 114.58 120.07 3dps h GLU 2032Ca 0.14 -0.14 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 3dps h GLU 2032Cb 0.12 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 3dps h GLU 2032CO -0.15 0.80 0.25 0.87 -0.73 0.00 0.00 179.01 180.04 3dps h LYS 2033N 1.01 1.10 -0.14 1.92 1.57 -1.23 -0.85 116.57 119.95 3dps h LYS 2033Ca 0.25 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 3dps h LYS 2033Cb 0.09 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 3dps h LYS 2033CO -0.04 0.91 -0.07 0.82 -0.57 0.00 0.00 179.45 180.51 3dps h ILE 2034N 1.06 1.31 -0.87 1.86 2.04 -0.89 -3.10 117.51 118.93 3dps h ILE 2034Ca 0.24 -1.10 0.04 0.00 1.00 0.00 0.00 64.86 65.03 3dps h ILE 2034Cb 0.26 1.75 -0.05 0.00 -0.74 0.00 0.00 36.82 38.04 3dps h ILE 2034CO -0.01 0.32 0.57 0.00 0.00 0.00 0.00 178.15 179.03 3dps h ALA 2035N 0.66 1.46 0.00 1.87 0.00 -0.81 -1.71 119.26 120.72 3dps h ALA 2035Ca 0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3dps h ALA 2035Cb 0.53 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3dps h ALA 2035CO 0.02 0.46 -0.00 0.00 0.00 0.00 0.00 179.25 179.73 3dps h ALA 2036N 1.49 1.00 0.00 0.00 0.00 -1.08 -1.26 119.26 119.42 3dps h ALA 2036Ca 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3dps h ALA 2036Cb 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3dps h ALA 2036CO -0.10 0.00 -0.10 1.28 0.00 0.00 0.00 179.25 180.33 3dps n LEU 2037N -3.09 0.32 -4.91 0.00 4.77 -0.64 -4.90 117.00 108.55 3dps n LEU 2037Ca -0.03 0.44 -0.26 0.00 -0.03 0.00 0.00 56.01 56.14 3dps n LEU 2037Cb 0.09 -0.40 -0.00 0.00 -2.33 0.00 0.00 43.42 40.78 3dps n LEU 2037CO 0.21 -0.04 0.07 -0.04 -1.33 0.00 0.00 177.39 176.26 3dps s MET 2038N -3.04 2.25 0.30 3.23 -1.94 -0.48 -5.12 119.30 114.51 3dps s MET 2038Ca 0.12 -2.01 -0.16 0.00 -1.71 0.00 0.00 55.69 51.94 3dps s MET 2038Cb 0.17 -2.13 -0.09 0.00 2.01 0.00 0.00 34.83 34.79 3dps s MET 2038CO 0.58 -0.64 0.73 -0.51 -0.01 0.00 0.00 175.02 175.17 3dps s ASP 2039N -4.31 6.83 -1.36 3.03 -0.00 -0.30 -4.43 116.67 116.13 3dps s ASP 2039Ca 0.35 1.29 -0.07 0.00 -0.00 0.00 0.00 52.55 54.12 3dps s ASP 2039Cb -0.02 -2.38 0.00 0.00 -0.00 0.00 0.00 42.92 40.52 3dps s ASP 2039CO 0.22 -0.15 0.44 0.29 -0.00 0.00 0.00 175.17 175.97 3dps n LYS 2040N -0.13 -2.24 -2.22 8.23 5.02 -1.26 0.02 118.16 125.59 3dps n LYS 2040Ca 0.02 0.33 -0.41 0.00 -2.02 0.00 0.00 58.31 56.23 3dps n LYS 2040Cb 0.53 -4.10 -0.03 0.00 -0.02 0.00 0.00 35.03 31.41 3dps n LYS 2040CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3dps s PRO 2041N -6.67 4.39 -0.03 1.97 0.02 -1.26 -4.36 135.00 129.06 3dps s PRO 2041Ca 0.14 2.06 -0.01 0.00 0.02 0.00 0.00 61.00 63.21 3dps s PRO 2041Cb -0.06 -3.19 0.03 0.00 0.02 0.00 0.00 34.50 31.30 3dps s PRO 2041CO 0.91 -0.24 0.04 0.08 -0.33 0.00 0.00 177.00 177.45 3dps s VAL 2042N 0.04 -0.04 0.03 3.83 1.01 0.60 -4.99 120.40 120.88 3dps s VAL 2042Ca 0.56 0.28 -0.30 0.00 0.00 0.00 0.00 61.98 62.52 3dps s VAL 2042Cb -0.37 -0.14 -0.05 0.00 0.00 0.00 0.00 36.38 35.83 3dps s VAL 2042CO 0.39 0.13 1.16 -0.75 0.00 0.00 0.00 175.10 176.04 3dps s LYS 2043N 1.50 4.44 -0.27 2.72 2.20 -1.26 0.00 119.74 129.07 3dps s LYS 2043Ca -0.04 1.69 -0.05 0.00 -0.36 0.00 0.00 55.97 57.21 3dps s LYS 2043Cb -0.13 -3.41 -0.14 0.00 -1.51 0.00 0.00 37.83 32.64 3dps s LYS 2043CO -0.03 -0.26 -0.29 1.28 -0.36 0.00 0.00 175.35 175.69 3dps n LEU 2044N 4.20 2.49 -3.50 5.43 4.77 0.41 -4.91 117.00 125.89 3dps n LEU 2044Ca 0.09 0.08 -0.09 0.00 -0.03 0.00 0.00 56.01 56.06 3dps n LEU 2044Cb 0.47 -0.86 -0.02 0.00 -2.33 0.00 0.00 43.42 40.68 3dps n LEU 2044CO 0.55 0.77 0.66 0.00 -1.33 0.00 0.00 177.39 178.03 3dps s ALA 2045N -2.51 -1.81 -0.23 -1.18 0.00 -1.10 -5.00 121.76 109.93 3dps s ALA 2045Ca -0.36 1.01 -0.03 0.00 0.00 0.00 0.00 51.96 52.57 3dps s ALA 2045Cb 0.12 0.38 0.12 0.00 0.00 0.00 0.00 23.12 23.74 3dps s ALA 2045CO 0.54 -0.66 0.34 0.45 0.00 0.00 0.00 175.76 176.43 3dps s SER 2046N -2.39 0.49 -0.04 0.00 0.15 -1.26 -1.14 113.70 109.52 3dps s SER 2046Ca 0.04 0.16 -0.01 0.00 0.70 0.00 0.00 55.95 56.83 3dps s SER 2046Cb -0.01 0.95 0.03 0.00 -1.71 0.00 0.00 66.02 65.28 3dps s SER 2046CO -0.08 -0.30 0.05 -1.00 1.20 0.00 0.00 173.24 173.10 3dps s HIS 2047N 2.49 0.12 0.00 3.44 3.76 -0.73 -4.98 115.29 119.39 3dps s HIS 2047Ca 0.11 0.19 0.00 0.00 -0.15 0.00 0.00 55.06 55.20 3dps s HIS 2047Cb -0.15 -0.45 0.00 0.00 1.11 0.00 0.00 32.58 33.08 3dps s HIS 2047CO -0.15 -0.18 0.00 0.54 -0.85 0.00 0.00 174.74 174.11 3dps n ARG 2048N 5.01 0.00 0.00 1.40 1.74 -1.26 -0.78 116.66 122.77 3dps n ARG 2048Ca -0.10 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.05 3dps n ARG 2048Cb 0.50 0.00 0.31 0.00 -1.02 0.00 0.00 32.46 32.25 3dps n ARG 2048CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3dps n GLU 2049N 14.00 0.12 -3.61 5.56 4.71 -1.26 -4.64 120.64 135.52 3dps n GLU 2049Ca 0.00 0.21 -0.40 0.00 -0.01 0.00 0.00 57.16 56.96 3dps n GLU 2049Cb 0.00 -1.50 -0.08 0.00 -1.01 0.00 0.00 31.44 28.85 3dps n GLU 2049CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 3dps s PHE 2050N -2.73 3.49 -0.22 -0.32 0.40 0.04 -3.94 117.98 114.70 3dps s PHE 2050Ca 0.10 -2.24 -0.07 0.00 -0.60 0.00 0.00 56.93 54.11 3dps s PHE 2050Cb 0.09 -3.41 -0.03 0.00 0.51 0.00 0.00 43.02 40.17 3dps s PHE 2050CO 0.21 -0.94 0.07 0.99 0.70 0.00 0.00 175.22 176.25 3dps s THR 2051N 0.70 4.55 0.04 0.64 2.01 -1.26 -1.77 115.64 120.55 3dps s THR 2051Ca 0.11 -0.10 0.08 0.00 0.31 0.00 0.00 61.69 62.09 3dps s THR 2051Cb -0.22 -3.09 -0.03 0.00 0.01 0.00 0.00 72.50 69.17 3dps s THR 2051CO -0.03 0.38 -0.24 -0.94 -0.69 0.00 0.00 174.62 173.10 3dps s SER 2052N 1.10 2.83 0.16 3.53 1.04 -0.29 -1.76 113.70 120.32 3dps s SER 2052Ca 0.04 -0.54 0.07 0.00 0.48 0.00 0.00 55.95 56.00 3dps s SER 2052Cb -0.14 -0.25 -0.04 0.00 0.10 0.00 0.00 66.02 65.68 3dps s SER 2052CO 0.03 0.22 -0.15 0.26 0.98 0.00 0.00 173.24 174.58 3dps s TRP 2053N -0.78 1.64 0.09 5.02 0.52 0.65 -0.44 118.94 125.64 3dps s TRP 2053Ca 0.10 -0.54 0.06 0.00 0.02 0.00 0.00 56.10 55.73 3dps s TRP 2053Cb -0.09 -0.81 -0.04 0.00 -1.15 0.00 0.00 33.47 31.38 3dps s TRP 2053CO 0.02 0.27 -0.05 0.50 0.02 0.00 0.00 176.95 177.71 3dps s ARG 2054N -3.07 2.37 0.20 4.98 3.52 0.10 -1.27 118.95 125.77 3dps s ARG 2054Ca 0.16 -0.91 -0.06 0.00 -0.13 0.00 0.00 55.73 54.79 3dps s ARG 2054Cb -0.04 -2.44 0.02 0.00 -1.56 0.00 0.00 34.95 30.94 3dps s ARG 2054CO 0.05 0.53 0.36 0.00 -0.81 0.00 0.00 175.30 175.44 3dps n ALA 2055N 0.70 -0.69 -2.82 6.12 0.00 -0.12 -0.29 120.51 123.41 3dps n ALA 2055Ca -0.12 -0.73 -0.16 0.00 0.00 0.00 0.00 53.44 52.43 3dps n ALA 2055Cb 0.52 0.58 -0.14 0.00 0.00 0.00 0.00 19.45 20.41 3dps n ALA 2055CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3dps s GLU 2056N -2.17 0.39 -0.11 0.00 2.02 0.10 -0.38 118.70 118.55 3dps s GLU 2056Ca 0.11 -0.16 0.01 0.00 0.02 0.00 0.00 54.97 54.95 3dps s GLU 2056Cb -0.02 -0.38 0.02 0.00 0.10 0.00 0.00 34.13 33.85 3dps s GLU 2056CO 0.08 0.09 -0.13 -0.51 0.02 0.00 0.00 175.26 174.80 3dps s LEU 2057N -0.05 1.61 -1.51 1.80 1.43 0.17 -1.15 118.68 120.98 3dps s LEU 2057Ca 0.01 -0.40 -0.13 0.00 -1.03 0.00 0.00 54.13 52.58 3dps s LEU 2057Cb -0.03 -1.03 0.09 0.00 0.03 0.00 0.00 46.19 45.25 3dps s LEU 2057CO -0.00 -0.02 0.86 0.47 0.23 0.00 0.00 176.35 177.88 3dps n ASP 2058N 4.41 -4.58 0.00 2.29 8.00 -1.26 -1.04 116.55 124.37 3dps n ASP 2058Ca -0.18 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 54.62 3dps n ASP 2058Cb 0.51 -3.68 0.00 0.00 -0.02 0.00 0.00 41.12 37.93 3dps n ASP 2058CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dps n GLY 2059N -1.56 0.58 3.49 0.44 0.00 -1.26 -5.02 105.19 101.86 3dps n GLY 2059Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 3dps n GLY 2059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dps s LYS 2060N -0.25 2.78 0.37 1.61 1.02 -0.21 -5.08 119.74 119.99 3dps s LYS 2060Ca 0.00 -0.64 -0.27 0.00 0.02 0.00 0.00 55.97 55.08 3dps s LYS 2060Cb 0.00 -2.51 -0.09 0.00 -0.52 0.00 0.00 37.83 34.71 3dps s LYS 2060CO 0.00 0.54 1.26 0.00 -0.92 0.00 0.00 175.35 176.24 3dps s ALA 2061N -0.51 3.33 0.02 5.17 0.00 -1.26 -0.65 121.76 127.85 3dps s ALA 2061Ca 0.07 1.16 0.02 0.00 0.00 0.00 0.00 51.96 53.21 3dps s ALA 2061Cb -0.12 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 3dps s ALA 2061CO 0.02 -0.66 -0.07 0.08 0.00 0.00 0.00 175.76 175.13 3dps s VAL 2062N -1.25 0.50 -0.01 0.00 1.01 0.49 -4.12 120.40 117.02 3dps s VAL 2062Ca 0.53 -0.66 -0.00 0.00 0.00 0.00 0.00 61.98 61.85 3dps s VAL 2062Cb -0.37 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 3dps s VAL 2062CO 0.48 -0.12 0.06 -0.63 0.00 0.00 0.00 175.10 174.88 3dps s ILE 2063N -0.74 4.58 -0.12 2.22 -1.09 -0.53 -0.95 121.20 124.58 3dps s ILE 2063Ca -0.04 -0.43 0.02 0.00 -2.23 0.00 0.00 60.65 57.98 3dps s ILE 2063Cb -0.06 -3.07 0.01 0.00 -1.58 0.00 0.00 42.46 37.76 3dps s ILE 2063CO 0.00 0.38 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.22 3dps s VAL 2064N -1.14 1.76 -0.08 2.92 1.01 -0.40 -0.53 120.40 123.94 3dps s VAL 2064Ca 0.21 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 3dps s VAL 2064Cb -0.12 -1.58 0.04 0.00 0.00 0.00 0.00 36.38 34.72 3dps s VAL 2064CO 0.12 0.49 0.18 0.00 0.00 0.00 0.00 175.10 175.90 3dps s SER 2066N 1.06 6.11 -0.02 0.00 1.04 -0.72 -3.70 113.70 117.46 3dps s SER 2066Ca -0.08 1.96 0.17 0.00 0.48 0.00 0.00 55.95 58.48 3dps s SER 2066Cb -0.10 -2.56 -0.25 0.00 0.10 0.00 0.00 66.02 63.21 3dps s SER 2066CO -0.06 -0.94 0.39 0.35 0.98 0.00 0.00 173.24 173.96 3dps n THR 2067N -1.22 0.00 -4.21 2.02 -2.24 -0.58 -4.39 114.28 103.66 3dps n THR 2067Ca 0.10 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3dps n THR 2067Cb 0.52 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 3dps n THR 2067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dps n GLY 2068N 1.55 -1.72 3.65 3.38 0.00 -0.54 -3.10 105.19 108.41 3dps n GLY 2068Ca -0.02 -1.32 -0.38 0.00 0.00 0.00 0.00 46.02 44.30 3dps n GLY 2068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dps s ILE 2069N 0.00 5.25 0.00 -0.61 1.01 -1.26 -4.72 121.20 120.87 3dps s ILE 2069Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 60.65 61.15 3dps s ILE 2069Cb 0.00 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.83 3dps s ILE 2069CO 0.00 0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.82 3dps n GLY 2070N 4.20 0.89 0.34 6.18 0.00 -1.26 -4.38 105.19 111.16 3dps n GLY 2070Ca -0.11 -1.83 0.04 0.00 0.00 0.00 0.00 46.02 44.13 3dps n GLY 2070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3dps h GLY 2071N 0.00 1.45 0.97 -0.02 0.00 -1.86 -2.46 103.07 101.16 3dps h GLY 2071Ca 0.00 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 3dps h GLY 2071CO 0.00 0.17 -0.05 -2.55 0.00 0.00 0.00 176.54 174.11 3dps h PRO 2072N 0.92 -0.12 -0.55 4.80 0.11 -1.94 0.28 132.00 135.49 3dps h PRO 2072Ca 0.44 0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.44 3dps h PRO 2072Cb 0.39 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 3dps h PRO 2072CO -0.25 -0.06 -0.11 0.66 -0.21 0.00 0.00 178.00 178.04 3dps h SER 2073N -0.16 1.05 -0.84 -2.05 4.64 -1.75 -2.62 113.55 111.82 3dps h SER 2073Ca -0.01 -0.35 0.10 0.00 -0.47 0.00 0.00 61.79 61.05 3dps h SER 2073Cb 0.12 -0.28 -0.07 0.00 -0.31 0.00 0.00 62.40 61.85 3dps h SER 2073CO 0.02 1.15 0.48 0.74 -0.87 0.00 0.00 176.83 178.36 3dps h THR 2074N 0.92 0.90 -0.16 2.95 2.02 -1.23 -2.21 112.91 116.11 3dps h THR 2074Ca 0.14 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 67.00 3dps h THR 2074Cb 0.68 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3dps h THR 2074CO 0.05 0.15 -0.10 0.77 0.37 0.00 0.00 175.52 176.76 3dps h SER 2075N 0.80 0.23 0.02 4.18 4.64 -0.07 -1.37 113.55 121.98 3dps h SER 2075Ca 0.41 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3dps h SER 2075Cb 0.39 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3dps h SER 2075CO -0.25 0.36 -0.01 0.40 -0.87 0.00 0.00 176.83 176.46 3dps h ILE 2076N 0.24 1.34 -0.51 0.95 2.04 -1.26 -2.54 117.51 117.77 3dps h ILE 2076Ca 0.05 -1.15 0.06 0.00 1.00 0.00 0.00 64.86 64.82 3dps h ILE 2076Cb 0.33 2.11 -0.05 0.00 -0.74 0.00 0.00 36.82 38.47 3dps h ILE 2076CO 0.02 0.29 0.20 0.00 0.00 0.00 0.00 178.15 178.67 3dps h ALA 2077N 0.42 0.63 -0.23 1.87 0.00 -1.09 -1.19 119.26 119.67 3dps h ALA 2077Ca -0.00 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3dps h ALA 2077Cb 0.50 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3dps h ALA 2077CO 0.01 -0.18 -0.06 0.28 0.00 0.00 0.00 179.25 179.29 3dps h VAL 2078N 0.40 1.29 -0.34 0.00 2.07 -1.33 -1.05 116.25 117.29 3dps h VAL 2078Ca 0.24 -1.07 0.02 0.00 0.82 0.00 0.00 66.70 66.70 3dps h VAL 2078Cb 0.23 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 3dps h VAL 2078CO -0.22 0.33 0.17 -0.08 0.02 0.00 0.00 177.57 177.80 3dps h GLU 2079N 0.18 0.35 -0.29 1.57 4.57 -1.29 -0.67 114.58 119.00 3dps h GLU 2079Ca 0.06 -0.02 -0.13 0.00 -1.18 0.00 0.00 59.36 58.09 3dps h GLU 2079Cb 0.53 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 3dps h GLU 2079CO 0.02 0.23 -0.36 0.93 -1.18 0.00 0.00 179.01 178.66 3dps h GLU 2080N 0.36 0.65 -0.50 1.92 5.08 -1.14 -0.27 114.58 120.68 3dps h GLU 2080Ca 0.14 -0.31 -0.08 0.00 -1.00 0.00 0.00 59.36 58.11 3dps h GLU 2080Cb 0.04 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3dps h GLU 2080CO -0.09 0.91 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.75 3dps h LEU 2081N 0.54 0.81 -0.79 1.33 3.38 -1.06 -2.22 115.31 117.31 3dps h LEU 2081Ca 0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3dps h LEU 2081Cb 0.87 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 3dps h LEU 2081CO 0.07 0.88 0.42 0.00 0.09 0.00 0.00 178.44 179.91 3dps h ALA 2082N 1.21 1.01 -0.26 1.53 0.00 -0.66 -1.34 119.26 120.75 3dps h ALA 2082Ca 0.15 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3dps h ALA 2082Cb 0.48 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3dps h ALA 2082CO 0.02 0.53 0.18 1.96 0.00 0.00 0.00 179.25 181.94 3dps h GLN 2083N 1.10 0.24 -0.00 0.00 4.20 -0.64 -1.40 115.11 118.60 3dps h GLN 2083Ca 0.28 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.97 3dps h GLN 2083Cb 0.05 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3dps h GLN 2083CO -0.04 0.16 -0.19 1.28 -0.67 0.00 0.00 178.83 179.36 3dps n LEU 2084N -4.49 0.62 0.00 1.46 4.77 -0.72 -4.92 117.00 113.72 3dps n LEU 2084Ca 0.02 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3dps n LEU 2084Cb 0.16 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 3dps n LEU 2084CO 0.35 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 3dps n GLY 2085N 1.34 1.15 3.73 -0.72 0.00 -0.53 -4.83 105.19 105.33 3dps n GLY 2085Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3dps n GLY 2085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dps s ILE 2086N -1.87 3.18 0.00 -0.61 -1.09 -0.59 -4.58 121.20 115.64 3dps s ILE 2086Ca 0.00 0.94 0.00 0.00 -2.23 0.00 0.00 60.65 59.36 3dps s ILE 2086Cb 0.00 -3.60 0.00 0.00 -1.58 0.00 0.00 42.46 37.28 3dps s ILE 2086CO 0.00 0.13 0.00 0.54 -1.23 0.00 0.00 174.94 174.38 3dps n ARG 2087N 2.88 5.66 -4.33 2.79 5.12 -0.00 -4.15 116.66 124.63 3dps n ARG 2087Ca 0.07 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.78 3dps n ARG 2087Cb 0.42 -0.42 -0.16 0.00 -1.16 0.00 0.00 32.46 31.14 3dps n ARG 2087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3dps s THR 2088N -0.84 0.74 -0.08 0.55 2.01 -0.97 -1.22 115.64 115.83 3dps s THR 2088Ca 0.00 -0.28 0.02 0.00 0.31 0.00 0.00 61.69 61.74 3dps s THR 2088Cb 0.00 -0.70 0.01 0.00 0.01 0.00 0.00 72.50 71.83 3dps s THR 2088CO 0.00 0.25 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.70 3dps s PHE 2089N 0.58 1.56 -0.16 4.92 0.40 0.49 -1.10 117.98 124.68 3dps s PHE 2089Ca -0.09 -0.63 0.01 0.00 -0.60 0.00 0.00 56.93 55.62 3dps s PHE 2089Cb -0.12 -1.16 0.01 0.00 0.51 0.00 0.00 43.02 42.26 3dps s PHE 2089CO 0.01 -0.34 -0.19 -0.51 0.70 0.00 0.00 175.22 174.89 3dps s LEU 2090N 0.83 2.20 -0.09 -0.37 1.43 -0.52 -1.30 118.68 120.86 3dps s LEU 2090Ca -0.11 -0.60 -0.07 0.00 -1.03 0.00 0.00 54.13 52.32 3dps s LEU 2090Cb -0.15 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 3dps s LEU 2090CO 0.02 0.04 0.17 -0.60 0.23 0.00 0.00 176.35 176.20 3dps s ARG 2091N 1.07 3.47 -0.03 1.70 3.52 -0.45 -0.34 118.95 127.89 3dps s ARG 2091Ca -0.01 -0.13 0.05 0.00 -0.13 0.00 0.00 55.73 55.52 3dps s ARG 2091Cb -0.14 -3.17 -0.01 0.00 -1.56 0.00 0.00 34.95 30.06 3dps s ARG 2091CO -0.07 0.75 -0.19 -1.50 -0.81 0.00 0.00 175.30 173.48 3dps s ILE 2092N -1.09 1.53 0.34 4.11 -1.16 -1.26 -1.42 121.20 122.26 3dps s ILE 2092Ca 0.18 -0.80 0.07 0.00 -0.51 0.00 0.00 60.65 59.58 3dps s ILE 2092Cb -0.12 -1.29 -0.03 0.00 0.61 0.00 0.00 42.46 41.63 3dps s ILE 2092CO 0.07 0.44 0.31 -0.83 -2.81 0.00 0.00 174.94 172.12 3dps s GLY 2093N -0.24 2.31 -0.03 1.50 0.00 -0.55 -4.45 107.32 105.86 3dps s GLY 2093Ca 0.02 -2.05 0.05 0.00 0.00 0.00 0.00 44.72 42.75 3dps s GLY 2093CO 0.01 -1.42 -0.20 -0.51 0.00 0.00 0.00 173.10 170.98 3dps s THR 2094N -3.33 1.58 0.26 0.90 -4.23 -1.26 -1.60 115.64 107.96 3dps s THR 2094Ca 0.40 -0.83 -0.04 0.00 -1.18 0.00 0.00 61.69 60.03 3dps s THR 2094Cb 0.02 -1.33 -0.02 0.00 1.34 0.00 0.00 72.50 72.51 3dps s THR 2094CO 0.28 0.45 0.33 0.42 -0.54 0.00 0.00 174.62 175.56 3dps s THR 2095N -0.25 0.00 0.86 3.99 -4.23 -0.58 -4.92 115.64 110.50 3dps s THR 2095Ca 0.02 -1.72 -0.07 0.00 -1.18 0.00 0.00 61.69 58.74 3dps s THR 2095Cb -0.10 -2.43 0.18 0.00 1.34 0.00 0.00 72.50 71.49 3dps s THR 2095CO 0.01 0.00 1.17 -0.83 -0.54 0.00 0.00 174.62 174.43 3dps s GLY 2096N -3.15 1.78 0.14 3.99 0.00 -1.26 -0.81 107.32 108.01 3dps s GLY 2096Ca 0.32 -1.64 0.05 0.00 0.00 0.00 0.00 44.72 43.44 3dps s GLY 2096CO 0.14 -0.92 -0.11 0.00 0.00 0.00 0.00 173.10 172.21 3dps s ALA 2097N -3.53 1.47 -0.01 3.20 0.00 -0.46 -4.39 121.76 118.04 3dps s ALA 2097Ca 0.72 -1.45 0.02 0.00 0.00 0.00 0.00 51.96 51.24 3dps s ALA 2097Cb -0.03 0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.14 3dps s ALA 2097CO 0.49 -0.05 0.96 0.44 0.00 0.00 0.00 175.76 177.59 3dps n ILE 2098N -0.06 0.96 -4.59 0.00 -5.35 -0.26 -4.31 119.36 105.76 3dps n ILE 2098Ca -0.11 -1.00 -0.34 0.00 -0.27 0.00 0.00 62.75 61.03 3dps n ILE 2098Cb 0.60 0.48 -0.12 0.00 -1.74 0.00 0.00 39.64 38.86 3dps n ILE 2098CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3dps s GLN 2099N -1.06 3.01 0.48 6.28 -1.52 -1.26 -4.86 119.66 120.74 3dps s GLN 2099Ca 0.03 -0.55 0.19 0.00 -1.95 0.00 0.00 55.36 53.07 3dps s GLN 2099Cb 0.03 -2.67 1.20 0.00 -0.22 0.00 0.00 33.01 31.35 3dps s GLN 2099CO 0.00 0.53 2.05 -1.35 -0.25 0.00 0.00 175.29 176.28 3dps h PRO 2100N 5.70 0.00 -0.01 2.91 0.11 -1.84 -2.35 132.00 136.53 3dps h PRO 2100Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3dps h PRO 2100Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3dps h PRO 2100CO 0.55 0.13 -0.01 -2.39 -0.21 0.00 0.00 178.00 176.07 3dps n HIS 2101N -4.17 0.00 -3.37 0.65 1.44 -1.26 -4.40 115.22 104.10 3dps n HIS 2101Ca -0.02 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.30 3dps n HIS 2101Cb 0.21 -0.01 -0.08 0.00 0.12 0.00 0.00 29.99 30.22 3dps n HIS 2101CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3dps s ILE 2102N -2.04 5.18 -0.10 0.61 1.01 -0.88 -5.06 121.20 119.91 3dps s ILE 2102Ca 0.42 0.67 -0.07 0.00 0.00 0.00 0.00 60.65 61.66 3dps s ILE 2102Cb 0.21 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 3dps s ILE 2102CO 0.36 0.19 0.17 0.20 0.00 0.00 0.00 174.94 175.87 3dps s ASN 2103N 1.34 6.42 0.09 3.58 0.01 -1.26 -4.31 114.94 120.81 3dps s ASN 2103Ca 0.17 0.50 -0.36 0.00 -0.71 0.00 0.00 52.86 52.46 3dps s ASN 2103Cb -0.15 -2.08 -0.16 0.00 0.41 0.00 0.00 41.25 39.26 3dps s ASN 2103CO 0.09 0.39 1.35 0.52 -1.51 0.00 0.00 177.10 177.93 3dps n VAL 2104N 1.85 0.03 0.00 1.60 0.31 -1.15 -0.47 118.33 120.50 3dps n VAL 2104Ca -0.18 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 3dps n VAL 2104Cb 0.55 -0.87 0.00 0.00 -0.91 0.00 0.00 33.84 32.60 3dps n VAL 2104CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3dps n GLY 2105N 2.57 2.81 3.73 2.92 0.00 0.06 -4.78 105.19 112.49 3dps n GLY 2105Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 3dps n GLY 2105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dps s ASP 2106N -1.25 3.77 -0.09 1.61 1.01 0.38 -4.74 116.67 117.36 3dps s ASP 2106Ca 0.00 1.60 0.03 0.00 0.71 0.00 0.00 52.55 54.89 3dps s ASP 2106Cb 0.00 -2.28 -0.02 0.00 1.01 0.00 0.00 42.92 41.63 3dps s ASP 2106CO 0.00 -2.47 -0.17 -0.69 0.21 0.00 0.00 175.17 172.06 3dps s VAL 2107N -2.92 2.79 -0.18 -1.27 1.01 0.43 -1.44 120.40 118.83 3dps s VAL 2107Ca 0.63 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 3dps s VAL 2107Cb -0.18 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 3dps s VAL 2107CO 0.57 0.56 -0.04 -0.76 0.00 0.00 0.00 175.10 175.43 3dps s LEU 2108N -0.08 3.15 -0.20 3.92 1.43 0.52 -0.96 118.68 126.47 3dps s LEU 2108Ca -0.03 -0.21 -0.04 0.00 -1.03 0.00 0.00 54.13 52.82 3dps s LEU 2108Cb -0.14 -1.77 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 3dps s LEU 2108CO 0.04 0.11 -0.02 -0.69 0.23 0.00 0.00 176.35 176.02 3dps s VAL 2109N 0.71 3.75 -0.25 -1.59 1.01 -0.21 -0.67 120.40 123.14 3dps s VAL 2109Ca -0.02 -0.38 -0.20 0.00 0.00 0.00 0.00 61.98 61.39 3dps s VAL 2109Cb -0.14 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 3dps s VAL 2109CO 0.02 0.43 0.60 -0.89 0.00 0.00 0.00 175.10 175.26 3dps s THR 2110N 1.11 5.01 0.10 3.92 2.01 -0.60 -1.71 115.64 125.48 3dps s THR 2110Ca 0.02 1.06 -0.01 0.00 0.31 0.00 0.00 61.69 63.07 3dps s THR 2110Cb -0.14 -3.90 -0.24 0.00 0.01 0.00 0.00 72.50 68.22 3dps s THR 2110CO 0.01 0.05 1.21 0.71 -0.69 0.00 0.00 174.62 175.91 3dps h THR 2111N 5.40 1.53 -2.08 -0.82 1.35 -1.01 -3.41 112.91 113.87 3dps h THR 2111Ca -0.28 -3.02 0.13 0.00 -0.55 0.00 0.00 66.41 62.69 3dps h THR 2111Cb 1.13 2.82 -0.17 0.00 -1.73 0.00 0.00 68.15 70.20 3dps h THR 2111CO 0.76 0.88 0.55 0.00 -0.25 0.00 0.00 175.52 177.45 3dps s ALA 2112N -2.79 -1.87 0.09 6.62 0.00 -1.25 -0.88 121.76 121.67 3dps s ALA 2112Ca -0.03 1.17 0.09 0.00 0.00 0.00 0.00 51.96 53.19 3dps s ALA 2112Cb 0.08 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.37 3dps s ALA 2112CO 0.86 -0.63 -0.21 -1.12 0.00 0.00 0.00 175.76 174.66 3dps s SER 2113N -2.27 3.66 -0.09 0.00 0.01 0.00 -2.26 113.70 112.75 3dps s SER 2113Ca 0.05 -0.58 -0.30 0.00 1.31 0.00 0.00 55.95 56.43 3dps s SER 2113Cb -0.01 -0.46 -0.03 0.00 0.21 0.00 0.00 66.02 65.73 3dps s SER 2113CO -0.07 0.21 1.27 -0.69 0.41 0.00 0.00 173.24 174.37 3dps s VAL 2114N -1.04 4.15 -1.17 3.43 1.01 0.53 -4.30 120.40 123.01 3dps s VAL 2114Ca 0.16 1.46 -0.16 0.00 0.00 0.00 0.00 61.98 63.43 3dps s VAL 2114Cb -0.10 -3.94 0.14 0.00 0.00 0.00 0.00 36.38 32.47 3dps s VAL 2114CO 0.07 -0.06 1.44 -0.13 0.00 0.00 0.00 175.10 176.43 3dps s ARG 2115N 2.81 3.95 -0.25 2.72 0.52 -1.26 -1.93 118.95 125.51 3dps s ARG 2115Ca 0.57 -2.23 0.13 0.00 -0.52 0.00 0.00 55.73 53.69 3dps s ARG 2115Cb -0.25 -5.15 0.66 0.00 0.52 0.00 0.00 34.95 30.73 3dps s ARG 2115CO 0.20 -1.90 1.62 1.28 0.02 0.00 0.00 175.30 176.53 3dps n LEU 2116N 6.57 5.02 -4.95 2.53 4.77 -0.30 -4.97 117.00 125.67 3dps n LEU 2116Ca 0.37 -3.15 -0.24 0.00 -0.03 0.00 0.00 56.01 52.96 3dps n LEU 2116Cb 0.45 -0.65 0.02 0.00 -2.33 0.00 0.00 43.42 40.91 3dps n LEU 2116CO 0.63 0.77 0.15 1.51 -1.33 0.00 0.00 177.39 179.13 3dps s ASP 2117N -1.48 4.79 -0.22 -1.43 3.84 -1.16 -3.81 116.67 117.21 3dps s ASP 2117Ca 0.49 -1.11 0.08 0.00 -0.00 0.00 0.00 52.55 52.02 3dps s ASP 2117Cb 0.40 0.38 -0.19 0.00 -1.38 0.00 0.00 42.92 42.12 3dps s ASP 2117CO 0.11 -1.19 -0.10 0.61 -0.00 0.00 0.00 175.17 174.60 3dps n GLY 2118N -1.93 -0.60 0.19 2.12 0.00 -1.26 -4.65 105.19 99.07 3dps n GLY 2118Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3dps n GLY 2118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dps h ALA 2119N 0.40 1.25 -0.48 4.61 0.00 -1.97 -2.80 119.26 120.27 3dps h ALA 2119Ca -0.54 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.05 3dps h ALA 2119Cb 2.00 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.68 3dps h ALA 2119CO -0.04 0.53 0.32 0.66 0.00 0.00 0.00 179.25 180.72 3dps h SER 2120N 0.11 0.37 0.43 0.00 4.64 -1.87 -0.02 113.55 117.21 3dps h SER 2120Ca 0.01 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3dps h SER 2120Cb 0.73 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 3dps h SER 2120CO 0.05 0.25 0.00 -0.07 -0.87 0.00 0.00 176.83 176.19 3dps h LEU 2121N 0.43 0.00 -0.05 5.97 3.38 -1.64 -1.35 115.31 122.04 3dps h LEU 2121Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3dps h LEU 2121Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3dps h LEU 2121CO -0.05 0.00 -0.03 1.41 0.09 0.00 0.00 178.44 179.86 3dps n HIS 2122N -2.43 0.00 -0.01 1.13 8.25 -0.02 -3.90 115.22 118.23 3dps n HIS 2122Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 3dps n HIS 2122Cb 0.15 -0.26 -0.02 0.00 1.12 0.00 0.00 29.99 30.99 3dps n HIS 2122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3dps n PHE 2123N -1.21 0.00 -3.61 4.41 3.01 -0.55 -5.08 117.46 114.42 3dps n PHE 2123Ca 0.14 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.45 3dps n PHE 2123Cb 0.25 -0.12 -0.07 0.00 -0.01 0.00 0.00 39.48 39.52 3dps n PHE 2123CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3dps s ALA 2124N -2.06 -1.49 0.90 4.37 0.00 -0.95 -4.99 121.76 117.54 3dps s ALA 2124Ca -0.01 1.26 -0.11 0.00 0.00 0.00 0.00 51.96 53.10 3dps s ALA 2124Cb 0.01 -0.32 0.13 0.00 0.00 0.00 0.00 23.12 22.94 3dps s ALA 2124CO 0.10 -0.32 1.10 -1.25 0.00 0.00 0.00 175.76 175.39 3dps s PRO 2125N -0.72 1.22 0.55 0.00 0.04 -1.26 -4.10 135.00 130.74 3dps s PRO 2125Ca -0.08 1.17 0.26 0.00 0.04 0.00 0.00 61.00 62.39 3dps s PRO 2125Cb -0.02 -1.78 1.47 0.00 0.04 0.00 0.00 34.50 34.20 3dps s PRO 2125CO 0.06 -2.36 2.02 1.98 0.04 0.00 0.00 177.00 178.74 3dps h MET 2126N -1.66 0.00 0.00 4.56 4.05 -1.94 -1.62 114.93 118.32 3dps h MET 2126Ca -0.47 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 58.93 3dps h MET 2126Cb 1.27 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.07 3dps h MET 2126CO 0.49 0.00 -0.09 0.93 0.23 0.00 0.00 176.91 178.46 3dps h GLU 2127N 0.00 0.00 -6.63 0.39 3.07 -2.03 -3.43 114.58 105.94 3dps h GLU 2127Ca 0.18 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.53 3dps h GLU 2127Cb 0.81 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.71 3dps h GLU 2127CO -0.00 0.09 0.45 0.12 -1.40 0.00 0.00 179.01 178.27 3dps s PHE 2128N -4.18 3.65 0.20 4.33 2.19 -0.61 -5.00 117.98 118.56 3dps s PHE 2128Ca -0.03 1.64 -0.30 0.00 0.33 0.00 0.00 56.93 58.58 3dps s PHE 2128Cb 0.13 -3.22 -0.08 0.00 -1.31 0.00 0.00 43.02 38.54 3dps s PHE 2128CO 0.57 -0.41 1.05 -1.25 1.83 0.00 0.00 175.22 177.01 3dps s PRO 2129N -0.24 4.66 -1.42 10.12 0.04 -1.26 -4.94 135.00 141.96 3dps s PRO 2129Ca 0.49 1.65 -0.15 0.00 0.04 0.00 0.00 61.00 63.03 3dps s PRO 2129Cb -0.28 -3.28 0.05 0.00 0.04 0.00 0.00 34.50 31.03 3dps s PRO 2129CO 0.33 0.20 2.10 0.00 0.04 0.00 0.00 177.00 179.67 3dps n ALA 2130N 2.08 5.06 -2.79 8.56 0.00 -1.26 -4.77 120.51 127.40 3dps n ALA 2130Ca 0.01 -3.88 -0.36 0.00 0.00 0.00 0.00 53.44 49.21 3dps n ALA 2130Cb 0.46 -3.54 -0.08 0.00 0.00 0.00 0.00 19.45 16.30 3dps n ALA 2130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3dps s VAL 2131N 3.38 4.92 0.53 0.00 0.11 -1.26 -0.82 120.40 127.26 3dps s VAL 2131Ca 0.48 -0.05 -0.17 0.00 -2.93 0.00 0.00 61.98 59.32 3dps s VAL 2131Cb 0.11 -3.12 -0.06 0.00 -1.53 0.00 0.00 36.38 31.78 3dps s VAL 2131CO -0.05 0.59 1.02 0.00 -3.33 0.00 0.00 175.10 173.33 3dps s ALA 2132N -0.98 2.90 0.31 1.54 0.00 -0.06 -4.63 121.76 120.84 3dps s ALA 2132Ca 0.15 0.36 -0.29 0.00 0.00 0.00 0.00 51.96 52.18 3dps s ALA 2132Cb -0.12 -3.19 -0.10 0.00 0.00 0.00 0.00 23.12 19.71 3dps s ALA 2132CO 0.04 -0.45 1.38 0.34 0.00 0.00 0.00 175.76 177.07 3dps s ASP 2133N -2.69 6.66 0.11 0.00 2.15 -0.29 -4.94 116.67 117.65 3dps s ASP 2133Ca 0.62 2.75 -0.18 0.00 0.43 0.00 0.00 52.55 56.18 3dps s ASP 2133Cb -0.13 -2.64 -0.05 0.00 -0.30 0.00 0.00 42.92 39.79 3dps s ASP 2133CO 0.30 -0.65 1.61 0.15 -0.17 0.00 0.00 175.17 176.41 3dps h PHE 2134N 3.82 0.49 -0.71 -5.34 3.57 -1.96 -1.42 116.94 115.39 3dps h PHE 2134Ca -0.48 -0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.03 3dps h PHE 2134Cb 1.23 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.77 3dps h PHE 2134CO 0.57 0.52 0.40 0.00 -2.23 0.00 0.00 178.31 177.56 3dps h ALA 2135N 0.92 0.97 -0.34 2.41 0.00 -1.96 -0.62 119.26 120.64 3dps h ALA 2135Ca 0.09 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3dps h ALA 2135Cb 0.27 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3dps h ALA 2135CO -0.00 0.07 -0.04 0.00 0.00 0.00 0.00 179.25 179.28 3dps h THR 2137N 0.43 1.22 -0.42 0.00 2.02 -1.02 -1.06 112.91 114.08 3dps h THR 2137Ca 0.09 -0.61 -0.00 0.00 0.77 0.00 0.00 66.41 66.66 3dps h THR 2137Cb 0.52 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 3dps h THR 2137CO 0.03 0.25 0.26 0.74 0.37 0.00 0.00 175.52 177.16 3dps h THR 2138N 0.89 1.13 -0.68 3.16 2.02 -0.98 -1.48 112.91 116.97 3dps h THR 2138Ca 0.22 -0.29 -0.05 0.00 0.77 0.00 0.00 66.41 67.07 3dps h THR 2138Cb 0.11 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 3dps h THR 2138CO -0.03 0.13 0.24 0.00 0.37 0.00 0.00 175.52 176.23 3dps h ALA 2139N 1.12 1.14 -0.30 6.16 0.00 -0.70 -0.65 119.26 126.04 3dps h ALA 2139Ca 0.15 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3dps h ALA 2139Cb -0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3dps h ALA 2139CO -0.03 0.60 -0.04 -0.07 0.00 0.00 0.00 179.25 179.72 3dps h LEU 2140N 0.99 0.55 -0.56 0.00 3.38 -0.92 -0.95 115.31 117.80 3dps h LEU 2140Ca 0.22 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3dps h LEU 2140Cb 0.24 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3dps h LEU 2140CO -0.01 0.76 0.29 0.58 0.09 0.00 0.00 178.44 180.15 3dps h VAL 2141N 0.33 1.20 -0.76 1.22 2.07 -1.07 -0.43 116.25 118.80 3dps h VAL 2141Ca 0.08 -0.53 -0.05 0.00 0.82 0.00 0.00 66.70 67.02 3dps h VAL 2141Cb 0.50 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 3dps h VAL 2141CO 0.02 0.22 0.27 -0.33 0.02 0.00 0.00 177.57 177.78 3dps h GLU 2142N 0.76 1.15 -0.45 1.57 5.08 -1.07 -0.23 114.58 121.40 3dps h GLU 2142Ca 0.20 -0.23 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 3dps h GLU 2142Cb 0.08 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3dps h GLU 2142CO -0.03 0.95 -0.14 0.00 -1.00 0.00 0.00 179.01 178.80 3dps h ALA 2143N 1.14 0.62 -0.53 3.43 0.00 -0.97 -1.12 119.26 121.82 3dps h ALA 2143Ca 0.25 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3dps h ALA 2143Cb 0.26 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3dps h ALA 2143CO -0.02 0.53 0.27 0.00 0.00 0.00 0.00 179.25 180.04 3dps h ALA 2144N 0.86 0.68 -0.88 0.00 0.00 -0.83 -2.43 119.26 116.66 3dps h ALA 2144Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dps h ALA 2144Cb 0.69 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3dps h ALA 2144CO 0.05 0.22 0.55 -0.22 0.00 0.00 0.00 179.25 179.86 3dps h LYS 2145N 0.71 1.18 0.00 0.00 3.64 -0.86 -1.52 116.57 119.72 3dps h LYS 2145Ca 0.18 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3dps h LYS 2145Cb 0.08 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 3dps h LYS 2145CO -0.03 0.80 0.00 0.66 -2.27 0.00 0.00 179.45 178.62 3dps h SER 2146N 1.20 0.00 -0.37 4.20 4.64 -0.70 -1.43 113.55 121.09 3dps h SER 2146Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3dps h SER 2146Cb -0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 3dps h SER 2146CO -0.06 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.20 3dps n ILE 2147N -2.74 1.30 -1.67 0.95 -5.35 -1.05 -4.98 119.36 105.83 3dps n ILE 2147Ca 0.01 -1.18 -0.07 0.00 -0.27 0.00 0.00 62.75 61.23 3dps n ILE 2147Cb 0.24 0.33 -0.02 0.00 -1.74 0.00 0.00 39.64 38.45 3dps n ILE 2147CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dps n GLY 2148N 0.41 0.50 3.78 3.28 0.00 -0.54 -5.01 105.19 107.62 3dps n GLY 2148Ca 0.15 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 45.14 3dps n GLY 2148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dps s ALA 2149N -2.31 3.18 -0.32 4.61 0.00 -0.60 -5.00 121.76 121.32 3dps s ALA 2149Ca 0.00 0.66 -0.28 0.00 0.00 0.00 0.00 51.96 52.34 3dps s ALA 2149Cb 0.00 -3.25 0.02 0.00 0.00 0.00 0.00 23.12 19.89 3dps s ALA 2149CO 0.00 -0.06 1.05 0.99 0.00 0.00 0.00 175.76 177.74 3dps s THR 2150N -1.56 4.53 -0.03 0.00 2.01 -1.26 -4.62 115.64 114.72 3dps s THR 2150Ca 0.53 1.68 0.07 0.00 0.31 0.00 0.00 61.69 64.28 3dps s THR 2150Cb -0.22 -4.39 -0.02 0.00 0.01 0.00 0.00 72.50 67.87 3dps s THR 2150CO 0.28 -0.46 -0.24 -0.89 -0.69 0.00 0.00 174.62 172.62 3dps s THR 2151N 3.59 2.19 -0.02 -0.82 2.01 -1.26 -0.43 115.64 120.90 3dps s THR 2151Ca 0.44 -1.05 0.07 0.00 0.31 0.00 0.00 61.69 61.46 3dps s THR 2151Cb -0.12 -1.77 -0.02 0.00 0.01 0.00 0.00 72.50 70.60 3dps s THR 2151CO 0.15 0.58 -0.24 -1.00 -0.69 0.00 0.00 174.62 173.42 3dps s HIS 2152N -0.58 2.17 -0.12 4.92 3.76 -0.13 -4.96 115.29 120.35 3dps s HIS 2152Ca 0.09 -0.44 0.02 0.00 -0.15 0.00 0.00 55.06 54.57 3dps s HIS 2152Cb -0.10 -1.40 0.01 0.00 1.11 0.00 0.00 32.58 32.20 3dps s HIS 2152CO -0.00 -0.06 -0.16 0.08 -0.85 0.00 0.00 174.74 173.75 3dps s VAL 2153N -0.50 1.58 -2.40 -0.90 1.01 -1.26 -1.05 120.40 116.87 3dps s VAL 2153Ca 0.08 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.37 3dps s VAL 2153Cb -0.10 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.85 3dps s VAL 2153CO -0.00 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.16 3dps n GLY 2154N 4.24 -0.65 3.85 4.51 0.00 -0.69 -4.92 105.19 111.53 3dps n GLY 2154Ca -0.19 -0.54 -0.37 0.00 0.00 0.00 0.00 46.02 44.92 3dps n GLY 2154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dps s VAL 2155N -3.89 5.14 -0.04 1.61 1.01 -1.26 -0.31 120.40 122.66 3dps s VAL 2155Ca 0.00 0.64 0.07 0.00 0.00 0.00 0.00 61.98 62.69 3dps s VAL 2155Cb 0.00 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 3dps s VAL 2155CO 0.00 0.54 -0.24 -0.89 0.00 0.00 0.00 175.10 174.51 3dps s THR 2156N -1.12 2.16 -0.09 3.92 2.01 -0.96 -0.48 115.64 121.08 3dps s THR 2156Ca 0.24 -1.05 -0.18 0.00 0.31 0.00 0.00 61.69 61.01 3dps s THR 2156Cb -0.15 -1.77 -0.05 0.00 0.01 0.00 0.00 72.50 70.54 3dps s THR 2156CO 0.12 0.58 0.47 0.00 -0.69 0.00 0.00 174.62 175.10 3dps s ALA 2157N -0.41 3.51 -0.14 7.40 0.00 -0.06 -0.35 121.76 131.70 3dps s ALA 2157Ca 0.04 -0.18 -0.00 0.00 0.00 0.00 0.00 51.96 51.82 3dps s ALA 2157Cb -0.12 -2.62 0.03 0.00 0.00 0.00 0.00 23.12 20.42 3dps s ALA 2157CO 0.01 0.08 -0.08 0.45 0.00 0.00 0.00 175.76 176.22 3dps s SER 2158N 0.33 2.56 0.32 0.00 0.15 -0.81 -1.24 113.70 115.01 3dps s SER 2158Ca 0.26 -0.49 0.03 0.00 0.70 0.00 0.00 55.95 56.45 3dps s SER 2158Cb -0.16 -0.94 -0.04 0.00 -1.71 0.00 0.00 66.02 63.18 3dps s SER 2158CO 0.11 -0.13 0.15 -0.94 1.20 0.00 0.00 173.24 173.62 3dps s SER 2159N 1.63 1.73 0.22 5.45 1.04 -0.51 -1.15 113.70 122.11 3dps s SER 2159Ca 0.03 -1.56 0.23 0.00 0.48 0.00 0.00 55.95 55.14 3dps s SER 2159Cb -0.14 0.36 0.15 0.00 0.10 0.00 0.00 66.02 66.49 3dps s SER 2159CO -0.08 -0.87 1.21 0.44 0.98 0.00 0.00 173.24 174.91 3dps h ASP 2160N 2.16 0.00 -2.72 7.02 3.45 -1.85 -3.37 116.42 121.11 3dps h ASP 2160Ca -0.34 -0.05 -0.67 0.00 0.43 0.00 0.00 57.03 56.39 3dps h ASP 2160Cb 1.25 0.00 -0.08 0.00 -0.56 0.00 0.00 39.33 39.94 3dps h ASP 2160CO 0.54 0.03 -0.49 0.42 -1.57 0.00 0.00 179.24 178.16 3dps s THR 2161N -3.29 5.39 0.57 0.35 -4.23 -1.26 -4.95 115.64 108.22 3dps s THR 2161Ca 0.02 0.16 0.36 0.00 -1.18 0.00 0.00 61.69 61.06 3dps s THR 2161Cb 0.10 -3.34 0.39 0.00 1.34 0.00 0.00 72.50 70.98 3dps s THR 2161CO 0.75 0.62 2.27 0.15 -0.54 0.00 0.00 174.62 177.86 3dps h PHE 2162N 5.02 0.00 -2.31 3.99 3.57 -1.99 -3.30 116.94 121.93 3dps h PHE 2162Ca -0.54 0.00 -0.64 0.00 3.53 0.00 0.00 57.97 60.32 3dps h PHE 2162Cb 1.23 0.00 -0.39 0.00 2.79 0.00 0.00 35.95 39.57 3dps h PHE 2162CO 0.74 0.02 -0.33 2.48 -2.23 0.00 0.00 178.31 178.99 3dps n TYR 2163N -3.46 3.55 -1.41 0.41 4.11 -1.26 -5.07 117.16 114.02 3dps n TYR 2163Ca -0.03 -3.81 -0.50 0.00 -0.00 0.00 0.00 57.90 53.56 3dps n TYR 2163Cb 0.11 -0.67 -0.04 0.00 -0.00 0.00 0.00 39.34 38.75 3dps n TYR 2163CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.86 174.56 3dps n PRO 2164N 0.51 0.00 0.00 -3.48 -0.02 -1.24 -4.91 135.00 125.86 3dps n PRO 2164Ca 0.31 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 3dps n PRO 2164Cb 0.38 -1.08 0.00 0.00 -0.02 0.00 0.00 33.50 32.78 3dps n PRO 2164CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dps n GLY 2165N 1.92 0.85 0.00 -1.23 0.00 -1.26 -5.00 105.19 100.46 3dps n GLY 2165Ca 0.18 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3dps n GLY 2165CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dps n GLN 2166N 0.00 0.00 0.00 1.61 6.02 -1.26 -5.16 117.38 118.59 3dps n GLN 2166Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3dps n GLN 2166Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 3dps n GLN 2166CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3dps n SER 2183N 0.00 0.00 0.11 1.08 2.88 -1.26 -5.19 113.62 111.24 3dps n SER 2183Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 3dps n SER 2183Cb 0.00 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 63.59 3dps n SER 2183CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 3dps h MET 2184N 0.00 0.10 -0.29 -1.46 4.05 -2.00 -2.28 114.93 113.05 3dps h MET 2184Ca 0.00 -0.08 -0.03 0.00 -0.28 0.00 0.00 59.70 59.31 3dps h MET 2184Cb 0.00 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.80 3dps h MET 2184CO 0.00 0.71 0.04 0.93 0.23 0.00 0.00 176.91 178.82 3dps h GLU 2185N 0.07 0.43 -0.39 0.39 3.07 -2.00 0.73 114.58 116.89 3dps h GLU 2185Ca -0.01 -0.07 -0.00 0.00 -0.50 0.00 0.00 59.36 58.78 3dps h GLU 2185Cb 1.15 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.97 3dps h GLU 2185CO 0.09 0.43 0.24 1.49 -1.40 0.00 0.00 179.01 179.86 3dps h GLU 2186N 0.42 0.53 -0.36 2.33 4.81 -1.86 -1.09 114.58 119.37 3dps h GLU 2186Ca 0.10 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.12 3dps h GLU 2186Cb 0.22 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3dps h GLU 2186CO 0.00 0.39 -0.41 -1.49 -0.73 0.00 0.00 179.01 176.78 3dps h TRP 2187N 0.51 1.08 -0.56 0.92 -0.00 -1.05 -2.45 115.95 114.40 3dps h TRP 2187Ca 0.14 -0.33 0.02 0.00 -0.00 0.00 0.00 58.89 58.72 3dps h TRP 2187Cb -0.00 -0.22 -0.03 0.00 -0.00 0.00 0.00 29.16 28.90 3dps h TRP 2187CO -0.04 1.15 0.35 0.37 -0.00 0.00 0.00 178.44 180.27 3dps h GLN 2188N 0.72 0.67 0.00 0.49 4.15 -0.76 -1.36 115.11 119.02 3dps h GLN 2188Ca 0.05 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.42 3dps h GLN 2188Cb 1.00 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 28.53 3dps h GLN 2188CO 0.10 0.44 -0.09 0.00 -1.93 0.00 0.00 178.83 177.35 3dps h ALA 2189N 1.23 1.16 -0.29 3.38 0.00 -1.07 -1.58 119.26 122.09 3dps h ALA 2189Ca 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3dps h ALA 2189Cb -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3dps h ALA 2189CO -0.08 0.11 0.00 -1.33 0.00 0.00 0.00 179.25 177.94 3dps n MET 2190N -3.43 1.98 -0.66 0.00 2.81 -0.68 -4.93 117.12 112.21 3dps n MET 2190Ca -0.01 -1.49 0.00 0.00 -1.81 0.00 0.00 57.70 54.38 3dps n MET 2190Cb 0.24 -1.41 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 3dps n MET 2190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dps n GLY 2191N 1.23 0.69 3.75 3.03 0.00 -0.59 -5.02 105.19 108.27 3dps n GLY 2191Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3dps n GLY 2191CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dps s VAL 2192N -2.19 2.32 0.02 1.61 1.01 -0.60 -4.61 120.40 117.95 3dps s VAL 2192Ca 0.00 0.28 -0.12 0.00 0.00 0.00 0.00 61.98 62.13 3dps s VAL 2192Cb 0.00 -3.18 -0.33 0.00 0.00 0.00 0.00 36.38 32.87 3dps s VAL 2192CO 0.00 0.05 0.96 0.24 0.00 0.00 0.00 175.10 176.34 3dps h MET 2193N 4.76 0.46 -2.40 2.72 0.00 -1.12 -3.42 114.93 115.93 3dps h MET 2193Ca -0.47 -0.78 0.18 0.00 0.00 0.00 0.00 59.70 58.63 3dps h MET 2193Cb 1.22 0.29 -0.06 0.00 0.00 0.00 0.00 31.60 33.05 3dps h MET 2193CO 0.77 1.37 0.56 0.54 0.00 0.00 0.00 176.91 180.15 3dps s ASN 2194N -7.43 -0.06 -0.02 1.22 4.22 -1.26 -1.10 114.94 110.51 3dps s ASN 2194Ca -0.09 -0.55 0.05 0.00 -2.14 0.00 0.00 52.86 50.13 3dps s ASN 2194Cb 0.05 0.48 -0.01 0.00 1.28 0.00 0.00 41.25 43.05 3dps s ASN 2194CO 0.92 -0.92 -0.18 -0.31 -2.04 0.00 0.00 177.10 174.56 3dps s TYR 2195N -2.58 1.60 0.00 1.54 2.02 -1.26 -0.89 117.35 117.79 3dps s TYR 2195Ca 0.18 -0.32 0.00 0.00 -0.37 0.00 0.00 57.07 56.56 3dps s TYR 2195Cb -0.02 -1.04 0.00 0.00 -0.40 0.00 0.00 41.96 40.50 3dps s TYR 2195CO 0.04 -0.04 0.00 -0.85 -1.57 0.00 0.00 175.55 173.12 3dps n GLU 2196N 2.70 0.00 0.00 -0.62 -0.00 -0.37 -4.62 120.64 117.73 3dps n GLU 2196Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.01 3dps n GLU 2196Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.98 3dps n GLU 2196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3dps n MET 2197N 0.00 5.12 -0.01 3.44 2.81 -1.26 -1.42 117.12 125.80 3dps n MET 2197Ca 0.00 -0.01 0.01 0.00 -1.81 0.00 0.00 57.70 55.89 3dps n MET 2197Cb 0.00 -0.40 -0.03 0.00 -0.71 0.00 0.00 33.22 32.08 3dps n MET 2197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3dps n GLU 2198N -0.74 1.18 -0.29 0.03 4.71 -1.26 -3.44 120.64 120.82 3dps n GLU 2198Ca 0.00 -0.03 -0.05 0.00 -0.01 0.00 0.00 57.16 57.08 3dps n GLU 2198Cb 0.00 -1.10 0.09 0.00 -1.01 0.00 0.00 31.44 29.43 3dps n GLU 2198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3dps h SER 2199N 0.00 1.08 -0.34 1.62 4.64 -1.96 -1.59 113.55 117.00 3dps h SER 2199Ca -0.03 -0.14 0.04 0.00 -0.47 0.00 0.00 61.79 61.19 3dps h SER 2199Cb 0.53 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 62.30 3dps h SER 2199CO 0.00 0.93 0.10 0.00 -0.87 0.00 0.00 176.83 176.99 3dps h ALA 2200N 1.23 0.38 0.07 5.18 0.00 -1.87 0.17 119.26 124.41 3dps h ALA 2200Ca 0.28 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 3dps h ALA 2200Cb 0.15 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3dps h ALA 2200CO -0.03 -0.30 -0.03 1.15 0.00 0.00 0.00 179.25 180.04 3dps h THR 2201N 0.24 1.09 -0.04 0.00 2.02 -1.81 -1.78 112.91 112.63 3dps h THR 2201Ca 0.16 -0.53 0.03 0.00 0.77 0.00 0.00 66.41 66.84 3dps h THR 2201Cb 0.14 1.43 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 3dps h THR 2201CO -0.17 0.13 -0.17 0.25 0.37 0.00 0.00 175.52 175.92 3dps h LEU 2202N -0.33 -0.52 -0.53 2.58 5.85 -1.03 -0.09 115.31 121.25 3dps h LEU 2202Ca -0.01 0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 3dps h LEU 2202Cb 0.29 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 3dps h LEU 2202CO 0.02 -0.23 -0.03 -0.07 -0.34 0.00 0.00 178.44 177.78 3dps h LEU 2203N -0.27 0.94 -0.17 2.25 3.38 -0.71 -1.90 115.31 118.84 3dps h LEU 2203Ca 0.07 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 3dps h LEU 2203Cb 0.36 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3dps h LEU 2203CO -0.19 1.03 -0.07 0.74 0.09 0.00 0.00 178.44 180.05 3dps h THR 2204N 0.82 1.30 0.00 0.22 2.02 -1.20 0.10 112.91 116.18 3dps h THR 2204Ca 0.15 -1.09 -0.07 0.00 0.77 0.00 0.00 66.41 66.17 3dps h THR 2204Cb 0.57 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.65 3dps h THR 2204CO 0.03 0.32 -0.31 0.00 0.37 0.00 0.00 175.52 175.93 3dps h MET 2205N 0.02 0.00 0.05 6.66 -0.00 -0.96 -1.61 114.93 119.09 3dps h MET 2205Ca 0.04 0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 59.67 3dps h MET 2205Cb 0.53 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.14 3dps h MET 2205CO 0.02 0.31 -0.29 0.00 -0.00 0.00 0.00 176.91 176.96 3dps h ALA 2207N 0.03 1.17 -0.40 0.00 0.00 -0.69 -1.72 119.26 117.65 3dps h ALA 2207Ca -0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3dps h ALA 2207Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3dps h ALA 2207CO 0.05 0.06 0.00 -1.13 0.00 0.00 0.00 179.25 178.24 3dps n SER 2208N -3.40 3.48 -0.23 0.00 3.41 -0.62 -4.43 113.62 111.83 3dps n SER 2208Ca -0.02 -1.99 0.02 0.00 -0.26 0.00 0.00 58.87 56.62 3dps n SER 2208Cb 0.19 -0.26 0.03 0.00 -0.26 0.00 0.00 64.21 63.90 3dps n SER 2208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dps n GLN 2209N 1.49 0.58 -1.72 4.33 6.02 -0.79 -5.01 117.38 122.28 3dps n GLN 2209Ca 0.19 -1.24 -0.06 0.00 -0.01 0.00 0.00 57.00 55.88 3dps n GLN 2209Cb 0.60 -0.75 -0.01 0.00 1.02 0.00 0.00 30.24 31.10 3dps n GLN 2209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dps n GLY 2210N -0.34 0.43 3.53 1.08 0.00 -1.09 -5.03 105.19 103.78 3dps n GLY 2210Ca 0.03 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 3dps n GLY 2210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dps s LEU 2211N -1.64 2.88 0.01 0.99 1.43 -0.72 -5.04 118.68 116.58 3dps s LEU 2211Ca 0.00 -0.36 -0.16 0.00 -1.03 0.00 0.00 54.13 52.58 3dps s LEU 2211Cb 0.00 -1.68 -0.06 0.00 0.03 0.00 0.00 46.19 44.48 3dps s LEU 2211CO 0.00 0.23 0.46 -0.13 0.23 0.00 0.00 176.35 177.14 3dps s ARG 2212N -1.73 4.04 0.00 1.70 0.52 -0.36 -3.94 118.95 119.20 3dps s ARG 2212Ca 0.17 0.51 -0.05 0.00 -0.52 0.00 0.00 55.73 55.84 3dps s ARG 2212Cb -0.11 -3.25 -0.00 0.00 0.52 0.00 0.00 34.95 32.11 3dps s ARG 2212CO 0.09 0.62 0.09 0.00 0.02 0.00 0.00 175.30 176.11 3dps s ALA 2213N -0.89 -0.19 0.11 2.13 0.00 -1.26 -0.37 121.76 121.29 3dps s ALA 2213Ca 0.25 -0.23 -0.01 0.00 0.00 0.00 0.00 51.96 51.98 3dps s ALA 2213Cb -0.17 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 3dps s ALA 2213CO 0.15 -0.18 0.03 0.20 0.00 0.00 0.00 175.76 175.96 3dps s GLY 2214N -1.27 0.87 -0.09 0.00 0.00 -0.42 -1.14 107.32 105.27 3dps s GLY 2214Ca -0.14 -1.41 -0.04 0.00 0.00 0.00 0.00 44.72 43.13 3dps s GLY 2214CO 0.01 -1.36 0.20 -0.29 0.00 0.00 0.00 173.10 171.66 3dps s MET 2215N -4.02 0.13 0.05 2.90 1.75 -1.26 -1.34 119.30 117.52 3dps s MET 2215Ca 0.20 0.50 0.04 0.00 -1.25 0.00 0.00 55.69 55.17 3dps s MET 2215Cb 0.08 -0.15 -0.02 0.00 2.84 0.00 0.00 34.83 37.57 3dps s MET 2215CO -0.01 -0.20 -0.11 0.54 -0.65 0.00 0.00 175.02 174.60 3dps s VAL 2216N 1.48 0.82 -0.05 10.11 0.11 -0.51 -1.56 120.40 130.80 3dps s VAL 2216Ca -0.07 -1.10 -0.09 0.00 -2.93 0.00 0.00 61.98 57.79 3dps s VAL 2216Cb -0.11 -0.82 0.02 0.00 -1.53 0.00 0.00 36.38 33.94 3dps s VAL 2216CO -0.07 -0.24 0.23 0.00 -3.33 0.00 0.00 175.10 171.68 3dps s ALA 2217N -1.19 -0.56 0.00 1.54 0.00 0.16 -1.47 121.76 120.23 3dps s ALA 2217Ca -0.05 0.41 -0.17 0.00 0.00 0.00 0.00 51.96 52.16 3dps s ALA 2217Cb -0.09 -0.18 -0.06 0.00 0.00 0.00 0.00 23.12 22.79 3dps s ALA 2217CO 0.01 -0.16 0.47 0.20 0.00 0.00 0.00 175.76 176.28 3dps s GLY 2218N -0.52 2.52 -0.19 0.00 0.00 -0.63 -0.35 107.32 108.16 3dps s GLY 2218Ca -0.06 -0.14 -0.25 0.00 0.00 0.00 0.00 44.72 44.27 3dps s GLY 2218CO 0.01 0.36 0.83 0.14 0.00 0.00 0.00 173.10 174.44 3dps s VAL 2219N -0.77 4.87 -0.63 1.40 1.01 -0.52 -1.53 120.40 124.23 3dps s VAL 2219Ca 0.26 1.62 0.06 0.00 0.00 0.00 0.00 61.98 63.91 3dps s VAL 2219Cb -0.17 -4.13 0.02 0.00 0.00 0.00 0.00 36.38 32.09 3dps s VAL 2219CO 0.14 -0.00 0.56 2.30 0.00 0.00 0.00 175.10 178.10 3dps n ILE 2220N 4.88 0.00 -3.53 2.22 -5.35 0.01 -0.76 119.36 116.83 3dps n ILE 2220Ca 0.05 -0.46 -0.10 0.00 -0.27 0.00 0.00 62.75 61.96 3dps n ILE 2220Cb 0.48 1.09 -0.04 0.00 -1.74 0.00 0.00 39.64 39.44 3dps n ILE 2220CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3dps s VAL 2221N -0.83 0.00 -0.28 7.28 0.11 -1.25 -4.99 120.40 120.45 3dps s VAL 2221Ca 0.06 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 58.85 3dps s VAL 2221Cb 0.05 -1.00 0.17 0.00 -1.53 0.00 0.00 36.38 34.07 3dps s VAL 2221CO 0.12 0.00 1.31 0.21 -3.33 0.00 0.00 175.10 173.41 3dps s ASN 2222N -1.85 -0.16 -0.58 3.54 2.47 -1.26 -1.36 114.94 115.74 3dps s ASN 2222Ca 0.00 0.27 -0.06 0.00 0.42 0.00 0.00 52.86 53.50 3dps s ASN 2222Cb -0.01 0.27 0.15 0.00 -1.45 0.00 0.00 41.25 40.21 3dps s ASN 2222CO -0.03 -0.08 0.42 -0.13 -3.72 0.00 0.00 177.10 173.57 3dps s ARG 2223N -0.22 2.59 0.04 0.43 1.81 -1.26 -3.70 118.95 118.64 3dps s ARG 2223Ca 0.06 -2.23 -0.00 0.00 -1.72 0.00 0.00 55.73 51.84 3dps s ARG 2223Cb -0.04 -3.84 -0.03 0.00 -0.45 0.00 0.00 34.95 30.59 3dps s ARG 2223CO -0.11 -1.18 -0.04 0.99 -0.68 0.00 0.00 175.30 174.29 3dps s THR 2224N 0.49 0.25 0.00 0.02 2.01 -1.26 -4.69 115.64 112.46 3dps s THR 2224Ca 0.13 -1.38 0.00 0.00 0.31 0.00 0.00 61.69 60.75 3dps s THR 2224Cb -0.21 -0.93 0.00 0.00 0.01 0.00 0.00 72.50 71.38 3dps s THR 2224CO -0.04 -0.72 0.00 0.00 -0.69 0.00 0.00 174.62 173.17 3dps n GLN 2225N 0.84 0.00 0.00 4.92 3.00 -1.24 -4.51 117.38 120.39 3dps n GLN 2225Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.80 3dps n GLN 2225Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.82 3dps n GLN 2225CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 3dps n GLU 2227N -1.17 0.00 0.01 -1.09 4.71 -1.26 -2.94 120.64 118.90 3dps n GLU 2227Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 3dps n GLU 2227Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 3dps n GLU 2227CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 3dps n LYS 2235N 0.00 0.00 -0.28 3.49 -0.00 -1.26 -5.12 118.16 114.99 3dps n LYS 2235Ca 0.00 0.03 -0.05 0.00 -0.00 0.00 0.00 58.31 58.28 3dps n LYS 2235Cb 0.00 -0.09 0.06 0.00 -0.00 0.00 0.00 35.03 35.00 3dps n LYS 2235CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 3dps h GLN 2236N 0.00 1.06 -0.26 -1.58 5.75 -2.03 0.16 115.11 118.22 3dps h GLN 2236Ca 0.00 -0.13 -0.08 0.00 -0.15 0.00 0.00 58.65 58.29 3dps h GLN 2236Cb 0.06 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.40 3dps h GLN 2236CO 0.00 0.80 -0.14 1.15 -2.65 0.00 0.00 178.83 177.99 3dps h THR 2237N 1.05 1.30 -0.74 2.39 2.02 -1.93 -2.34 112.91 114.65 3dps h THR 2237Ca 0.26 -1.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.21 3dps h THR 2237Cb 0.05 1.54 -0.04 0.00 -1.74 0.00 0.00 68.15 67.97 3dps h THR 2237CO -0.04 0.39 0.42 -0.08 0.37 0.00 0.00 175.52 176.57 3dps h GLU 2238N 0.29 1.03 -0.38 6.66 4.81 -1.90 -2.30 114.58 122.79 3dps h GLU 2238Ca 0.06 -0.12 0.05 0.00 -0.13 0.00 0.00 59.36 59.22 3dps h GLU 2238Cb 0.65 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.78 3dps h GLU 2238CO 0.04 0.76 0.13 0.77 -0.73 0.00 0.00 179.01 179.98 3dps h SER 2239N 1.03 0.13 -0.11 1.04 0.02 -0.49 -0.34 113.55 114.83 3dps h SER 2239Ca 0.26 0.04 -0.18 0.00 -0.84 0.00 0.00 61.79 61.07 3dps h SER 2239Cb 0.02 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 3dps h SER 2239CO -0.04 0.11 -0.60 1.12 -1.14 0.00 0.00 176.83 176.27 3dps h HIS 2240N 0.28 0.91 -0.94 3.45 2.07 -1.31 -1.57 115.15 118.05 3dps h HIS 2240Ca 0.17 -0.35 0.02 0.00 -2.85 0.00 0.00 60.37 57.37 3dps h HIS 2240Cb 0.15 -0.16 -0.05 0.00 2.57 0.00 0.00 27.41 29.92 3dps h HIS 2240CO -0.15 1.14 0.62 0.00 -3.07 0.00 0.00 177.93 176.47 3dps h ALA 2241N 0.78 1.22 -0.54 6.11 0.00 -1.22 0.87 119.26 126.48 3dps h ALA 2241Ca -0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3dps h ALA 2241Cb 1.19 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3dps h ALA 2241CO 0.12 0.54 0.23 0.28 0.00 0.00 0.00 179.25 180.43 3dps h VAL 2242N 1.24 1.22 -0.67 0.00 2.07 -0.84 -1.40 116.25 117.87 3dps h VAL 2242Ca 0.36 -0.66 -0.07 0.00 0.82 0.00 0.00 66.70 67.15 3dps h VAL 2242Cb -0.08 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 3dps h VAL 2242CO -0.10 0.25 0.13 0.50 0.02 0.00 0.00 177.57 178.37 3dps h LYS 2243N 0.74 1.09 -0.67 1.57 1.63 -0.78 -2.61 116.57 117.54 3dps h LYS 2243Ca 0.18 -0.28 0.01 0.00 -0.85 0.00 0.00 60.65 59.71 3dps h LYS 2243Cb 0.18 -0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 31.64 3dps h LYS 2243CO -0.02 0.99 0.44 0.82 -3.45 0.00 0.00 179.45 178.23 3dps h ILE 2244N 1.01 1.15 -0.30 2.00 2.04 -0.51 -0.81 117.51 122.09 3dps h ILE 2244Ca 0.20 -0.30 -0.10 0.00 1.00 0.00 0.00 64.86 65.66 3dps h ILE 2244Cb 0.41 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 3dps h ILE 2244CO 0.01 0.16 -0.23 1.62 0.00 0.00 0.00 178.15 179.71 3dps h VAL 2245N 0.88 1.27 -0.27 1.67 3.04 -1.08 -0.38 116.25 121.37 3dps h VAL 2245Ca 0.25 -1.28 -0.05 0.00 -1.01 0.00 0.00 66.70 64.61 3dps h VAL 2245Cb -0.07 1.29 -0.01 0.00 -2.01 0.00 0.00 31.29 30.49 3dps h VAL 2245CO -0.07 0.41 -0.03 0.58 -1.01 0.00 0.00 177.57 177.46 3dps h VAL 2246N 0.51 1.27 0.00 1.51 2.07 -1.20 -0.72 116.25 119.69 3dps h VAL 2246Ca 0.07 -1.00 -0.05 0.00 0.82 0.00 0.00 66.70 66.54 3dps h VAL 2246Cb 0.68 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 3dps h VAL 2246CO 0.05 0.32 -0.26 -0.33 0.02 0.00 0.00 177.57 177.37 3dps h GLU 2247N 0.27 0.00 -0.23 1.57 4.39 -0.93 -1.78 114.58 117.87 3dps h GLU 2247Ca 0.07 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.61 3dps h GLU 2247Cb 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 3dps h GLU 2247CO 0.02 0.26 -0.50 0.00 -1.16 0.00 0.00 179.01 177.63 3dps h ALA 2248N 1.74 0.37 -0.57 3.43 0.00 -0.91 -3.06 119.26 120.26 3dps h ALA 2248Ca -0.00 -0.50 0.08 0.00 0.00 0.00 0.00 54.91 54.49 3dps h ALA 2248Cb 0.61 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 3dps h ALA 2248CO 0.03 0.55 0.23 0.00 0.00 0.00 0.00 179.25 180.06 3dps h ALA 2249N 0.62 0.73 -0.82 0.00 0.00 -0.59 -1.33 119.26 117.87 3dps h ALA 2249Ca 0.00 0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.09 3dps h ALA 2249Cb 1.11 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.84 3dps h ALA 2249CO 0.11 -0.17 0.44 -0.09 0.00 0.00 0.00 179.25 179.54 3dps h ARG 2250N 0.43 0.67 0.00 0.00 2.43 -1.29 -0.76 114.38 115.85 3dps h ARG 2250Ca 0.28 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 3dps h ARG 2250Cb 0.30 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3dps h ARG 2250CO -0.26 0.44 0.00 0.00 -1.51 0.00 0.00 179.97 178.65 3dps h ARG 2251N 0.69 0.00 -0.07 0.20 3.08 -1.15 -3.12 114.38 114.01 3dps h ARG 2251Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.47 3dps h ARG 2251Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3dps h ARG 2251CO -0.30 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 179.88 3dps n LEU 2252N -2.34 2.62 0.00 3.04 4.77 -0.31 -5.06 117.00 119.72 3dps n LEU 2252Ca 0.02 -1.09 0.15 0.00 -0.03 0.00 0.00 56.01 55.05 3dps n LEU 2252Cb 0.23 -0.04 0.89 0.00 -2.33 0.00 0.00 43.42 42.17 3dps n LEU 2252CO 0.20 0.48 1.05 0.18 -1.33 0.00 0.00 177.39 177.98