#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ddo s SER 2004N 0.00 -0.60 0.00 4.39 0.15 -1.26 -4.46 113.70 111.91 3ddo s SER 2004Ca 0.00 1.11 0.27 0.00 0.70 0.00 0.00 55.95 58.03 3ddo s SER 2004Cb 0.00 1.08 0.91 0.00 -1.71 0.00 0.00 66.02 66.30 3ddo s SER 2004CO 0.00 -0.19 1.66 0.47 1.20 0.00 0.00 173.24 176.38 3ddo n ASP 2005N 3.20 0.78 -4.29 5.45 8.00 -0.02 -4.91 116.55 124.75 3ddo n ASP 2005Ca -0.16 -0.70 -0.16 0.00 0.71 0.00 0.00 54.79 54.48 3ddo n ASP 2005Cb 0.56 0.06 -0.10 0.00 -0.02 0.00 0.00 41.12 41.62 3ddo n ASP 2005CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3ddo s VAL 2006N -2.54 1.39 0.19 2.53 -7.23 -1.24 -5.05 120.40 108.44 3ddo s VAL 2006Ca 0.25 -2.12 -0.02 0.00 -1.81 0.00 0.00 61.98 58.27 3ddo s VAL 2006Cb 0.19 -1.95 -0.07 0.00 0.56 0.00 0.00 36.38 35.11 3ddo s VAL 2006CO 0.52 -0.66 1.49 0.15 -0.31 0.00 0.00 175.10 176.28 3ddo h PHE 2007N 2.67 0.64 0.00 2.82 3.57 -1.95 -3.39 116.94 121.30 3ddo h PHE 2007Ca -0.37 -0.24 -0.13 0.00 3.53 0.00 0.00 57.97 60.76 3ddo h PHE 2007Cb 1.20 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.81 3ddo h PHE 2007CO 0.67 0.97 -1.49 0.72 -2.23 0.00 0.00 178.31 176.95 3ddo n HIS 2008N -3.92 0.00 0.21 0.41 8.25 -1.26 -4.77 115.22 114.14 3ddo n HIS 2008Ca -0.03 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.53 3ddo n HIS 2008Cb 0.63 -0.34 0.28 0.00 1.12 0.00 0.00 29.99 31.68 3ddo n HIS 2008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3ddo h LEU 2009N 0.00 0.00 -0.61 2.41 3.38 -1.93 -3.44 115.31 115.12 3ddo h LEU 2009Ca -0.19 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.55 3ddo h LEU 2009Cb 1.36 0.00 0.07 0.00 0.09 0.00 0.00 40.66 42.18 3ddo h LEU 2009CO -0.01 0.16 -0.37 0.61 0.09 0.00 0.00 178.44 178.91 3ddo n GLY 2010N 0.76 0.09 3.24 0.83 0.00 -1.26 -4.73 105.19 104.11 3ddo n GLY 2010Ca 0.02 -0.18 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 3ddo n GLY 2010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ddo s LEU 2011N -4.40 2.25 0.30 0.99 1.43 -1.26 -4.81 118.68 113.18 3ddo s LEU 2011Ca 0.29 -0.61 0.08 0.00 -1.03 0.00 0.00 54.13 52.86 3ddo s LEU 2011Cb -0.13 -0.80 -0.04 0.00 0.03 0.00 0.00 46.19 45.26 3ddo s LEU 2011CO 0.36 0.05 0.19 0.42 0.23 0.00 0.00 176.35 177.60 3ddo s THR 2012N -1.06 3.73 0.26 5.49 -4.23 -1.26 -0.84 115.64 117.72 3ddo s THR 2012Ca 0.04 -1.52 -0.02 0.00 -1.18 0.00 0.00 61.69 59.01 3ddo s THR 2012Cb -0.09 -3.17 0.26 0.00 1.34 0.00 0.00 72.50 70.84 3ddo s THR 2012CO 0.03 -0.26 1.86 0.11 -0.54 0.00 0.00 174.62 175.81 3ddo h LYS 2013N 1.48 1.02 -0.61 3.99 1.57 -1.96 -1.82 116.57 120.23 3ddo h LYS 2013Ca -0.46 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.30 3ddo h LYS 2013Cb 1.25 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 33.29 3ddo h LYS 2013CO 0.60 0.67 0.40 -0.97 -0.57 0.00 0.00 179.45 179.59 3ddo h ASN 2014N 1.05 0.59 -0.23 0.86 -1.24 -1.95 -1.58 115.58 113.08 3ddo h ASN 2014Ca 0.43 -0.00 0.07 0.00 0.71 0.00 0.00 56.30 57.51 3ddo h ASN 2014Cb 0.27 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.18 3ddo h ASN 2014CO -0.21 0.40 0.17 0.44 -1.29 0.00 0.00 177.43 176.94 3ddo h ASP 2015N 0.68 0.00 1.81 1.15 3.32 -1.72 -2.01 116.42 119.65 3ddo h ASP 2015Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 3ddo h ASP 2015Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3ddo h ASP 2015CO -0.07 0.00 0.00 -0.07 -1.72 0.00 0.00 179.24 177.38 3ddo h LEU 2016N 0.00 0.00 -1.00 1.55 4.07 -1.35 -3.48 115.31 115.11 3ddo h LEU 2016Ca 0.11 0.00 -0.50 0.00 0.08 0.00 0.00 57.88 57.57 3ddo h LEU 2016Cb 0.45 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 42.11 3ddo h LEU 2016CO -0.00 0.00 -0.78 0.00 -1.08 0.00 0.00 178.44 176.58 3ddo n GLN 2017N -2.83 -4.99 -0.61 1.13 1.13 -0.76 -1.18 117.38 109.27 3ddo n GLN 2017Ca 0.04 0.54 0.00 0.00 -1.94 0.00 0.00 57.00 55.65 3ddo n GLN 2017Cb 0.49 -5.41 0.00 0.00 0.11 0.00 0.00 30.24 25.44 3ddo n GLN 2017CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3ddo n GLY 2018N -1.62 0.79 3.68 1.08 0.00 -1.26 -4.63 105.19 103.22 3ddo n GLY 2018Ca 0.06 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.63 3ddo n GLY 2018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddo n ALA 2019N -0.17 1.14 -0.13 4.61 0.00 -0.33 -4.87 120.51 120.77 3ddo n ALA 2019Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.84 3ddo n ALA 2019Cb 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.19 3ddo n ALA 2019CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3ddo n GLN 2020N 1.62 0.34 -4.38 0.00 6.02 -1.26 -4.35 117.38 115.36 3ddo n GLN 2020Ca 0.10 -0.76 -0.20 0.00 -0.01 0.00 0.00 57.00 56.13 3ddo n GLN 2020Cb 0.33 -0.94 -0.15 0.00 1.02 0.00 0.00 30.24 30.50 3ddo n GLN 2020CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3ddo s LEU 2021N -0.30 1.83 -0.03 1.08 0.20 -1.26 -0.68 118.68 119.52 3ddo s LEU 2021Ca 0.00 -0.18 0.05 0.00 0.69 0.00 0.00 54.13 54.69 3ddo s LEU 2021Cb 0.00 -0.53 -0.01 0.00 -0.43 0.00 0.00 46.19 45.22 3ddo s LEU 2021CO 0.00 0.07 -0.18 0.00 -0.29 0.00 0.00 176.35 175.95 3ddo s ALA 2022N 0.11 1.57 -0.18 5.97 0.00 0.06 -1.88 121.76 127.41 3ddo s ALA 2022Ca -0.02 -0.78 -0.13 0.00 0.00 0.00 0.00 51.96 51.03 3ddo s ALA 2022Cb -0.07 -0.44 -0.05 0.00 0.00 0.00 0.00 23.12 22.56 3ddo s ALA 2022CO 0.00 0.35 0.27 0.42 0.00 0.00 0.00 175.76 176.81 3ddo s ILE 2023N -0.28 5.31 -0.46 0.00 1.01 0.45 -1.26 121.20 125.98 3ddo s ILE 2023Ca 0.03 0.48 0.03 0.00 0.00 0.00 0.00 60.65 61.20 3ddo s ILE 2023Cb -0.09 -3.61 0.13 0.00 0.01 0.00 0.00 42.46 38.90 3ddo s ILE 2023CO 0.00 0.36 0.23 0.68 0.00 0.00 0.00 174.94 176.22 3ddo s VAL 2024N 0.69 1.87 0.70 2.92 -7.23 -0.04 -1.40 120.40 117.91 3ddo s VAL 2024Ca 0.15 -2.78 -0.11 0.00 -1.81 0.00 0.00 61.98 57.43 3ddo s VAL 2024Cb -0.13 -2.31 0.01 0.00 0.56 0.00 0.00 36.38 34.50 3ddo s VAL 2024CO 0.04 -0.83 1.07 -2.16 -0.31 0.00 0.00 175.10 172.90 3ddo s PRO 2025N 0.20 2.94 0.07 4.82 0.04 -1.24 -3.25 135.00 138.58 3ddo s PRO 2025Ca 0.17 0.72 -0.12 0.00 0.04 0.00 0.00 61.00 61.80 3ddo s PRO 2025Cb -0.24 -2.01 -0.24 0.00 0.04 0.00 0.00 34.50 32.04 3ddo s PRO 2025CO -0.01 -1.04 1.16 0.78 0.04 0.00 0.00 177.00 177.94 3ddo h GLY 2026N -0.66 0.68 -6.77 0.56 0.00 -1.85 -1.21 103.07 93.82 3ddo h GLY 2026Ca -0.45 -1.31 -0.61 0.00 0.00 0.00 0.00 47.33 44.96 3ddo h GLY 2026CO 0.60 1.16 -0.13 -0.35 0.00 0.00 0.00 176.54 177.82 3ddo s ASP 2027N -7.32 6.40 0.43 0.19 -1.08 -1.26 -1.66 116.67 112.36 3ddo s ASP 2027Ca -0.09 0.47 0.17 0.00 -0.52 0.00 0.00 52.55 52.59 3ddo s ASP 2027Cb 0.07 -2.25 1.09 0.00 -1.46 0.00 0.00 42.92 40.37 3ddo s ASP 2027CO 0.92 -0.19 1.90 -0.65 0.52 0.00 0.00 175.17 177.67 3ddo h PRO 2028N 7.83 0.37 0.00 4.34 0.11 -1.88 -1.12 132.00 141.65 3ddo h PRO 2028Ca -0.32 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3ddo h PRO 2028Cb 1.15 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3ddo h PRO 2028CO 0.70 0.24 0.00 0.93 -0.21 0.00 0.00 178.00 179.66 3ddo h GLU 2029N 0.38 0.00 0.00 1.05 5.08 -1.96 -2.66 114.58 116.47 3ddo h GLU 2029Ca 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 3ddo h GLU 2029Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 3ddo h GLU 2029CO -0.13 0.00 -0.50 -2.13 -1.00 0.00 0.00 179.01 175.25 3ddo n ARG 2030N -2.60 0.26 0.19 2.33 0.63 -0.42 -4.29 116.66 112.76 3ddo n ARG 2030Ca 0.02 0.10 -0.15 0.00 -0.92 0.00 0.00 57.85 56.90 3ddo n ARG 2030Cb 0.27 -1.68 -0.08 0.00 0.45 0.00 0.00 32.46 31.42 3ddo n ARG 2030CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3ddo h VAL 2031N 0.00 0.70 -0.92 5.15 2.07 -1.53 -2.11 116.25 119.60 3ddo h VAL 2031Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 3ddo h VAL 2031Cb 0.72 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 31.12 3ddo h VAL 2031CO 0.00 0.00 0.60 -0.08 0.02 0.00 0.00 177.57 178.11 3ddo h GLU 2032N -0.41 1.01 -0.72 1.57 4.81 -1.78 -1.21 114.58 117.85 3ddo h GLU 2032Ca -0.04 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 3ddo h GLU 2032Cb 0.32 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 3ddo h GLU 2032CO 0.07 0.67 0.40 0.87 -0.73 0.00 0.00 179.01 180.28 3ddo h LYS 2033N 1.04 1.01 -0.13 1.92 1.57 -1.67 -1.28 116.57 119.02 3ddo h LYS 2033Ca 0.40 -0.12 -0.14 0.00 -1.87 0.00 0.00 60.65 58.93 3ddo h LYS 2033Cb 0.22 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3ddo h LYS 2033CO -0.16 0.75 -0.45 0.82 -0.57 0.00 0.00 179.45 179.85 3ddo h ILE 2034N 1.00 1.36 -0.40 1.86 2.04 -0.86 -3.09 117.51 119.42 3ddo h ILE 2034Ca 0.25 -1.75 0.03 0.00 1.00 0.00 0.00 64.86 64.40 3ddo h ILE 2034Cb 0.03 2.10 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 3ddo h ILE 2034CO -0.04 0.53 0.26 0.00 0.00 0.00 0.00 178.15 178.90 3ddo h ALA 2035N 0.51 1.83 0.00 1.87 0.00 -1.08 -1.75 119.26 120.64 3ddo h ALA 2035Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3ddo h ALA 2035Cb 1.08 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3ddo h ALA 2035CO 0.09 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.47 3ddo n ALA 2036N -2.50 1.56 1.35 0.00 0.00 -0.50 -1.45 120.51 118.98 3ddo n ALA 2036Ca 0.04 0.11 0.14 0.00 0.00 0.00 0.00 53.44 53.73 3ddo n ALA 2036Cb 0.14 -1.38 0.73 0.00 0.00 0.00 0.00 19.45 18.94 3ddo n ALA 2036CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ddo n LEU 2037N -2.25 0.00 -4.79 0.00 4.77 -0.66 -4.88 117.00 109.20 3ddo n LEU 2037Ca 0.02 0.31 -0.32 0.00 -0.03 0.00 0.00 56.01 55.98 3ddo n LEU 2037Cb 0.20 -0.31 -0.06 0.00 -2.33 0.00 0.00 43.42 40.92 3ddo n LEU 2037CO 0.18 -0.01 -0.20 -0.04 -1.33 0.00 0.00 177.39 175.99 3ddo s MET 2038N -2.62 2.21 0.33 3.23 -1.94 -0.53 -5.13 119.30 114.86 3ddo s MET 2038Ca 0.26 -2.33 -0.20 0.00 -1.71 0.00 0.00 55.69 51.71 3ddo s MET 2038Cb 0.20 -1.63 -0.10 0.00 2.01 0.00 0.00 34.83 35.31 3ddo s MET 2038CO 0.46 -0.41 0.84 -0.51 -0.01 0.00 0.00 175.02 175.39 3ddo s ASP 2039N -3.95 6.99 -1.37 3.03 1.01 -0.12 -4.39 116.67 117.88 3ddo s ASP 2039Ca 0.11 1.54 -0.03 0.00 0.71 0.00 0.00 52.55 54.88 3ddo s ASP 2039Cb 0.01 -2.47 -0.00 0.00 1.01 0.00 0.00 42.92 41.47 3ddo s ASP 2039CO 0.06 -0.18 0.48 0.29 0.21 0.00 0.00 175.17 176.03 3ddo n LYS 2040N -0.04 -3.15 -2.30 8.23 5.02 -1.26 0.73 118.16 125.38 3ddo n LYS 2040Ca 0.03 0.42 -0.41 0.00 -2.02 0.00 0.00 58.31 56.33 3ddo n LYS 2040Cb 0.52 -4.50 -0.03 0.00 -0.02 0.00 0.00 35.03 31.00 3ddo n LYS 2040CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3ddo s PRO 2041N -6.47 4.44 -0.02 1.97 0.05 -1.26 -4.39 135.00 129.32 3ddo s PRO 2041Ca 0.06 1.96 -0.00 0.00 0.05 0.00 0.00 61.00 63.06 3ddo s PRO 2041Cb -0.02 -3.22 0.03 0.00 0.05 0.00 0.00 34.50 31.34 3ddo s PRO 2041CO 0.88 -0.16 0.03 0.08 0.05 0.00 0.00 177.00 177.88 3ddo s VAL 2042N 0.01 -0.05 0.23 -0.36 1.01 0.72 -4.99 120.40 116.98 3ddo s VAL 2042Ca 0.54 0.23 -0.30 0.00 0.00 0.00 0.00 61.98 62.46 3ddo s VAL 2042Cb -0.34 -0.10 -0.09 0.00 0.00 0.00 0.00 36.38 35.85 3ddo s VAL 2042CO 0.38 0.10 1.25 -0.75 0.00 0.00 0.00 175.10 176.08 3ddo s LYS 2043N 1.17 4.44 -0.16 2.72 2.20 -1.26 -0.44 119.74 128.42 3ddo s LYS 2043Ca -0.08 2.01 -0.13 0.00 -0.36 0.00 0.00 55.97 57.42 3ddo s LYS 2043Cb -0.13 -3.18 -0.07 0.00 -1.51 0.00 0.00 37.83 32.95 3ddo s LYS 2043CO -0.03 -0.14 -0.27 1.28 -0.36 0.00 0.00 175.35 175.83 3ddo n LEU 2044N 2.04 1.65 -3.43 5.43 4.77 0.14 -4.88 117.00 122.73 3ddo n LEU 2044Ca 0.03 0.28 -0.12 0.00 -0.03 0.00 0.00 56.01 56.17 3ddo n LEU 2044Cb 0.43 -0.64 -0.02 0.00 -2.33 0.00 0.00 43.42 40.86 3ddo n LEU 2044CO 0.57 -0.04 0.44 0.00 -1.33 0.00 0.00 177.39 177.03 3ddo s ALA 2045N -2.58 -1.63 -0.13 -1.18 0.00 -1.07 -5.01 121.76 110.15 3ddo s ALA 2045Ca -0.26 0.58 -0.04 0.00 0.00 0.00 0.00 51.96 52.25 3ddo s ALA 2045Cb 0.07 0.80 0.07 0.00 0.00 0.00 0.00 23.12 24.05 3ddo s ALA 2045CO 0.35 -0.75 0.20 0.45 0.00 0.00 0.00 175.76 176.01 3ddo s SER 2046N -2.68 0.90 -0.07 0.00 0.15 -1.26 -0.91 113.70 109.84 3ddo s SER 2046Ca 0.01 0.19 -0.04 0.00 0.70 0.00 0.00 55.95 56.82 3ddo s SER 2046Cb -0.01 0.40 0.04 0.00 -1.71 0.00 0.00 66.02 64.73 3ddo s SER 2046CO -0.12 -0.27 0.16 -1.00 1.20 0.00 0.00 173.24 173.21 3ddo s HIS 2047N 2.33 -0.18 0.00 3.44 3.76 -0.56 -4.99 115.29 119.08 3ddo s HIS 2047Ca 0.04 0.50 0.00 0.00 -0.15 0.00 0.00 55.06 55.45 3ddo s HIS 2047Cb -0.13 -0.04 0.00 0.00 1.11 0.00 0.00 32.58 33.51 3ddo s HIS 2047CO -0.08 -0.16 0.00 0.54 -0.85 0.00 0.00 174.74 174.19 3ddo n ARG 2048N 3.99 0.00 -0.12 1.40 1.74 -1.26 -0.31 116.66 122.10 3ddo n ARG 2048Ca -0.24 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 56.87 3ddo n ARG 2048Cb 0.53 0.00 0.09 0.00 -1.02 0.00 0.00 32.46 32.06 3ddo n ARG 2048CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 3ddo n GLU 2049N 14.00 1.55 -3.54 5.56 0.00 -1.26 -4.73 120.64 132.22 3ddo n GLU 2049Ca 0.00 -0.72 -0.41 0.00 0.00 0.00 0.00 57.16 56.03 3ddo n GLU 2049Cb 0.00 -1.25 -0.08 0.00 0.00 0.00 0.00 31.44 30.12 3ddo n GLU 2049CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 3ddo s PHE 2050N -1.69 3.47 -0.17 -1.84 0.08 0.57 -3.94 117.98 114.46 3ddo s PHE 2050Ca 0.13 -2.03 -0.06 0.00 0.12 0.00 0.00 56.93 55.09 3ddo s PHE 2050Cb 0.07 -3.50 -0.03 0.00 -0.57 0.00 0.00 43.02 38.99 3ddo s PHE 2050CO 0.08 -0.97 0.01 0.99 -0.10 0.00 0.00 175.22 175.24 3ddo s THR 2051N 0.92 4.30 -0.02 0.64 2.01 -1.26 -1.50 115.64 120.73 3ddo s THR 2051Ca 0.10 -0.21 0.04 0.00 0.31 0.00 0.00 61.69 61.93 3ddo s THR 2051Cb -0.23 -2.92 -0.01 0.00 0.01 0.00 0.00 72.50 69.35 3ddo s THR 2051CO -0.02 0.47 -0.15 -0.94 -0.69 0.00 0.00 174.62 173.29 3ddo s SER 2052N 0.48 1.79 0.16 3.53 1.04 -0.08 -1.45 113.70 119.16 3ddo s SER 2052Ca -0.00 -0.28 0.08 0.00 0.48 0.00 0.00 55.95 56.22 3ddo s SER 2052Cb -0.13 -0.34 -0.04 0.00 0.10 0.00 0.00 66.02 65.60 3ddo s SER 2052CO 0.02 0.15 -0.17 0.26 0.98 0.00 0.00 173.24 174.49 3ddo s TRP 2053N -0.14 1.69 0.07 5.02 0.52 0.34 -0.68 118.94 125.77 3ddo s TRP 2053Ca 0.01 -0.51 0.06 0.00 0.02 0.00 0.00 56.10 55.68 3ddo s TRP 2053Cb -0.08 -0.84 -0.04 0.00 -1.15 0.00 0.00 33.47 31.36 3ddo s TRP 2053CO 0.00 0.29 -0.09 0.50 0.02 0.00 0.00 176.95 177.67 3ddo s ARG 2054N -2.90 2.26 0.09 4.98 3.52 0.42 -0.94 118.95 126.38 3ddo s ARG 2054Ca 0.15 -0.93 -0.01 0.00 -0.13 0.00 0.00 55.73 54.81 3ddo s ARG 2054Cb -0.05 -2.36 0.00 0.00 -1.56 0.00 0.00 34.95 30.98 3ddo s ARG 2054CO 0.06 0.53 0.13 0.00 -0.81 0.00 0.00 175.30 175.22 3ddo n ALA 2055N 0.95 -0.12 -2.80 6.12 0.00 -0.17 -0.20 120.51 124.29 3ddo n ALA 2055Ca -0.14 -0.41 -0.20 0.00 0.00 0.00 0.00 53.44 52.69 3ddo n ALA 2055Cb 0.52 0.33 -0.15 0.00 0.00 0.00 0.00 19.45 20.16 3ddo n ALA 2055CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3ddo s GLU 2056N -2.19 0.85 -0.13 0.00 2.12 0.22 -0.87 118.70 118.69 3ddo s GLU 2056Ca 0.07 -0.33 -0.02 0.00 0.36 0.00 0.00 54.97 55.06 3ddo s GLU 2056Cb -0.00 -0.81 0.04 0.00 0.26 0.00 0.00 34.13 33.62 3ddo s GLU 2056CO 0.05 0.17 0.01 -1.17 -0.54 0.00 0.00 175.26 173.78 3ddo s LEU 2057N -0.07 0.96 -1.62 2.70 2.96 0.02 -0.94 118.68 122.69 3ddo s LEU 2057Ca 0.01 -0.46 -0.14 0.00 -0.22 0.00 0.00 54.13 53.32 3ddo s LEU 2057Cb -0.06 -0.57 0.12 0.00 0.50 0.00 0.00 46.19 46.18 3ddo s LEU 2057CO -0.00 -0.24 0.74 0.47 -1.32 0.00 0.00 176.35 176.01 3ddo n ASP 2058N 5.07 -2.93 0.00 3.68 8.00 -1.26 -1.27 116.55 127.84 3ddo n ASP 2058Ca -0.09 -0.98 0.00 0.00 0.71 0.00 0.00 54.79 54.44 3ddo n ASP 2058Cb 0.49 -2.98 0.00 0.00 -0.02 0.00 0.00 41.12 38.60 3ddo n ASP 2058CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ddo n GLY 2059N -1.56 0.94 3.47 0.44 0.00 -1.26 -5.03 105.19 102.19 3ddo n GLY 2059Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 3ddo n GLY 2059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ddo s LYS 2060N -0.16 2.60 0.35 1.61 1.02 -0.40 -5.09 119.74 119.67 3ddo s LYS 2060Ca 0.00 -0.69 -0.28 0.00 0.02 0.00 0.00 55.97 55.02 3ddo s LYS 2060Cb 0.00 -2.41 -0.10 0.00 -0.52 0.00 0.00 37.83 34.79 3ddo s LYS 2060CO 0.00 0.59 1.33 0.00 -0.92 0.00 0.00 175.35 176.35 3ddo s ALA 2061N -0.63 3.47 0.03 5.17 0.00 -1.26 -0.80 121.76 127.74 3ddo s ALA 2061Ca 0.09 1.30 0.01 0.00 0.00 0.00 0.00 51.96 53.37 3ddo s ALA 2061Cb -0.11 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.49 3ddo s ALA 2061CO 0.01 -0.73 -0.05 0.14 0.00 0.00 0.00 175.76 175.13 3ddo s VAL 2062N -1.16 0.33 -0.07 0.00 -7.23 -0.05 -4.23 120.40 108.00 3ddo s VAL 2062Ca 0.51 -1.00 -0.01 0.00 -1.81 0.00 0.00 61.98 59.67 3ddo s VAL 2062Cb -0.40 -0.45 -0.03 0.00 0.56 0.00 0.00 36.38 36.06 3ddo s VAL 2062CO 0.54 -0.44 -0.02 -0.63 -0.31 0.00 0.00 175.10 174.24 3ddo s ILE 2063N -1.44 4.13 -0.16 -0.62 -1.09 -0.79 -0.99 121.20 120.24 3ddo s ILE 2063Ca -0.13 -0.36 0.00 0.00 -2.23 0.00 0.00 60.65 57.93 3ddo s ILE 2063Cb -0.10 -2.74 0.01 0.00 -1.58 0.00 0.00 42.46 38.04 3ddo s ILE 2063CO -0.00 0.57 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.42 3ddo s VAL 2064N -0.90 2.47 -0.07 2.92 1.01 -0.12 -0.41 120.40 125.30 3ddo s VAL 2064Ca 0.14 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.26 3ddo s VAL 2064Cb -0.11 -2.04 0.04 0.00 0.00 0.00 0.00 36.38 34.27 3ddo s VAL 2064CO 0.03 0.52 0.15 0.00 0.00 0.00 0.00 175.10 175.80 3ddo s SER 2066N 1.37 6.20 -0.01 0.00 1.04 -0.53 -3.64 113.70 118.13 3ddo s SER 2066Ca -0.07 1.83 0.14 0.00 0.48 0.00 0.00 55.95 58.33 3ddo s SER 2066Cb -0.12 -2.54 -0.20 0.00 0.10 0.00 0.00 66.02 63.26 3ddo s SER 2066CO -0.06 -0.88 0.41 0.35 0.98 0.00 0.00 173.24 174.04 3ddo n THR 2067N -1.42 0.00 -0.39 2.02 -2.24 -0.46 -4.44 114.28 107.35 3ddo n THR 2067Ca 0.09 -0.28 0.05 0.00 -2.27 0.00 0.00 64.05 61.64 3ddo n THR 2067Cb 0.53 0.45 -0.01 0.00 -2.10 0.00 0.00 70.33 69.19 3ddo n THR 2067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ddo n GLY 2068N 1.56 -1.55 3.71 3.38 0.00 -0.67 -3.13 105.19 108.49 3ddo n GLY 2068Ca -0.01 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.17 3ddo n GLY 2068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ddo s ILE 2069N -1.49 4.95 0.00 -0.61 1.01 -1.26 -4.71 121.20 119.08 3ddo s ILE 2069Ca 0.00 1.73 0.00 0.00 0.00 0.00 0.00 60.65 62.38 3ddo s ILE 2069Cb 0.00 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.30 3ddo s ILE 2069CO 0.00 0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.74 3ddo n GLY 2070N 3.05 2.43 0.28 6.18 0.00 -1.25 -4.61 105.19 111.26 3ddo n GLY 2070Ca 0.03 -1.84 0.03 0.00 0.00 0.00 0.00 46.02 44.23 3ddo n GLY 2070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ddo h GLY 2071N 0.00 1.16 0.92 -0.02 0.00 -1.86 -2.11 103.07 101.17 3ddo h GLY 2071Ca 0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 3ddo h GLY 2071CO 0.00 0.04 0.06 -2.55 0.00 0.00 0.00 176.54 174.09 3ddo h PRO 2072N 0.62 0.16 -0.21 4.80 0.11 -1.94 0.20 132.00 135.74 3ddo h PRO 2072Ca 0.38 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 66.34 3ddo h PRO 2072Cb 0.44 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 3ddo h PRO 2072CO -0.29 0.20 -0.41 0.66 -0.21 0.00 0.00 178.00 177.94 3ddo h SER 2073N 0.08 0.54 -0.76 -2.05 4.64 -1.79 -2.64 113.55 111.57 3ddo h SER 2073Ca 0.04 -0.24 0.05 0.00 -0.47 0.00 0.00 61.79 61.17 3ddo h SER 2073Cb 0.09 -0.15 -0.06 0.00 -0.31 0.00 0.00 62.40 61.97 3ddo h SER 2073CO -0.01 0.89 0.46 0.74 -0.87 0.00 0.00 176.83 178.05 3ddo h THR 2074N 0.42 1.03 -0.22 2.95 2.02 -1.13 -1.84 112.91 116.14 3ddo h THR 2074Ca 0.03 -0.29 -0.04 0.00 0.77 0.00 0.00 66.41 66.88 3ddo h THR 2074Cb 0.90 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 3ddo h THR 2074CO 0.08 0.16 -0.06 0.77 0.37 0.00 0.00 175.52 176.83 3ddo h SER 2075N 0.85 0.31 -0.08 4.18 4.64 -0.25 -0.48 113.55 122.72 3ddo h SER 2075Ca 0.33 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.56 3ddo h SER 2075Cb 0.14 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3ddo h SER 2075CO -0.16 0.42 -0.08 0.40 -0.87 0.00 0.00 176.83 176.54 3ddo h ILE 2076N 0.32 1.36 -0.49 0.95 2.04 -1.16 -2.17 117.51 118.36 3ddo h ILE 2076Ca 0.07 -1.21 -0.00 0.00 1.00 0.00 0.00 64.86 64.71 3ddo h ILE 2076Cb 0.32 1.99 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 3ddo h ILE 2076CO 0.01 0.34 0.29 0.00 0.00 0.00 0.00 178.15 178.79 3ddo h ALA 2077N 0.57 0.62 -0.30 1.87 0.00 -0.98 -1.24 119.26 119.81 3ddo h ALA 2077Ca 0.01 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3ddo h ALA 2077Cb 0.58 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3ddo h ALA 2077CO 0.02 0.12 -0.07 0.28 0.00 0.00 0.00 179.25 179.60 3ddo h VAL 2078N 0.65 1.28 -0.24 0.00 2.07 -1.13 -0.49 116.25 118.38 3ddo h VAL 2078Ca 0.17 -1.09 -0.00 0.00 0.82 0.00 0.00 66.70 66.60 3ddo h VAL 2078Cb 0.01 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3ddo h VAL 2078CO -0.03 0.35 0.14 -0.08 0.02 0.00 0.00 177.57 177.96 3ddo h GLU 2079N 0.35 0.33 -0.20 1.57 4.57 -1.24 0.29 114.58 120.25 3ddo h GLU 2079Ca 0.08 -0.04 -0.16 0.00 -1.18 0.00 0.00 59.36 58.06 3ddo h GLU 2079Cb 0.55 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 3ddo h GLU 2079CO 0.03 0.29 -0.53 0.93 -1.18 0.00 0.00 179.01 178.55 3ddo h GLU 2080N 0.28 0.57 -0.87 1.92 5.08 -1.16 -0.16 114.58 120.25 3ddo h GLU 2080Ca 0.08 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 3ddo h GLU 2080Cb 0.05 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 3ddo h GLU 2080CO -0.01 0.96 0.47 -0.07 -1.00 0.00 0.00 179.01 179.35 3ddo h LEU 2081N 0.44 1.09 -0.70 1.33 3.38 -0.95 -2.09 115.31 117.81 3ddo h LEU 2081Ca 0.01 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3ddo h LEU 2081Cb 1.07 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 3ddo h LEU 2081CO 0.10 0.88 0.35 0.00 0.09 0.00 0.00 178.44 179.86 3ddo h ALA 2082N 1.25 0.91 -0.35 1.53 0.00 -0.51 -0.44 119.26 121.64 3ddo h ALA 2082Ca 0.30 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.13 3ddo h ALA 2082Cb 0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3ddo h ALA 2082CO -0.05 0.46 0.24 1.96 0.00 0.00 0.00 179.25 181.86 3ddo h GLN 2083N 0.98 0.24 -0.01 0.00 4.20 -0.60 -1.07 115.11 118.85 3ddo h GLN 2083Ca 0.24 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.94 3ddo h GLN 2083Cb 0.10 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.82 3ddo h GLN 2083CO -0.03 0.16 -0.06 1.28 -0.67 0.00 0.00 178.83 179.50 3ddo n LEU 2084N -4.48 1.10 0.00 1.46 4.77 -0.76 -4.92 117.00 114.18 3ddo n LEU 2084Ca 0.04 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 3ddo n LEU 2084Cb 0.24 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3ddo n LEU 2084CO 0.35 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 3ddo n GLY 2085N 1.20 0.82 3.73 -0.72 0.00 -0.40 -4.81 105.19 105.00 3ddo n GLY 2085Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3ddo n GLY 2085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ddo s ILE 2086N -2.00 3.45 -0.02 -0.61 -1.09 -0.25 -4.57 121.20 116.12 3ddo s ILE 2086Ca 0.00 1.13 0.01 0.00 -2.23 0.00 0.00 60.65 59.55 3ddo s ILE 2086Cb 0.00 -3.72 -0.01 0.00 -1.58 0.00 0.00 42.46 37.15 3ddo s ILE 2086CO 0.00 0.13 0.02 0.54 -1.23 0.00 0.00 174.94 174.41 3ddo n ARG 2087N 3.21 5.46 -4.41 2.79 5.12 0.14 -4.17 116.66 124.81 3ddo n ARG 2087Ca 0.08 -0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.78 3ddo n ARG 2087Cb 0.44 -0.63 -0.16 0.00 -1.16 0.00 0.00 32.46 30.95 3ddo n ARG 2087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3ddo s THR 2088N -1.25 0.86 -0.09 0.55 2.01 -0.89 -1.02 115.64 115.80 3ddo s THR 2088Ca 0.00 -0.34 0.02 0.00 0.31 0.00 0.00 61.69 61.68 3ddo s THR 2088Cb 0.00 -0.80 0.02 0.00 0.01 0.00 0.00 72.50 71.73 3ddo s THR 2088CO 0.03 0.28 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.75 3ddo s PHE 2089N 0.59 1.64 -0.27 4.92 0.08 0.49 -0.76 117.98 124.66 3ddo s PHE 2089Ca -0.10 -0.69 0.00 0.00 0.12 0.00 0.00 56.93 56.26 3ddo s PHE 2089Cb -0.13 -1.21 0.05 0.00 -0.57 0.00 0.00 43.02 41.15 3ddo s PHE 2089CO 0.02 -0.38 -0.06 -0.51 -0.10 0.00 0.00 175.22 174.19 3ddo s LEU 2090N 0.92 3.53 0.10 -0.37 1.43 -0.39 -1.34 118.68 122.56 3ddo s LEU 2090Ca -0.09 -1.23 -0.28 0.00 -1.03 0.00 0.00 54.13 51.49 3ddo s LEU 2090Cb -0.15 -1.63 -0.06 0.00 0.03 0.00 0.00 46.19 44.38 3ddo s LEU 2090CO 0.00 -0.20 0.89 -0.60 0.23 0.00 0.00 176.35 176.67 3ddo s ARG 2091N 1.21 4.64 -0.16 1.70 3.52 -0.39 -0.86 118.95 128.60 3ddo s ARG 2091Ca -0.05 1.32 0.01 0.00 -0.13 0.00 0.00 55.73 56.87 3ddo s ARG 2091Cb -0.19 -3.36 0.02 0.00 -1.56 0.00 0.00 34.95 29.87 3ddo s ARG 2091CO -0.04 0.28 -0.15 -1.50 -0.81 0.00 0.00 175.30 173.08 3ddo s ILE 2092N -0.18 1.73 0.26 4.11 1.10 -1.20 -1.41 121.20 125.62 3ddo s ILE 2092Ca 0.43 -0.78 0.03 0.00 -0.51 0.00 0.00 60.65 59.82 3ddo s ILE 2092Cb -0.23 -1.63 -0.01 0.00 0.15 0.00 0.00 42.46 40.74 3ddo s ILE 2092CO 0.28 0.45 0.12 0.61 -2.11 0.00 0.00 174.94 174.28 3ddo n GLY 2093N 4.71 3.47 3.51 1.50 0.00 -0.31 -3.96 105.19 114.12 3ddo n GLY 2093Ca -0.18 -1.99 -0.27 0.00 0.00 0.00 0.00 46.02 43.58 3ddo n GLY 2093CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ddo s THR 2094N -2.64 2.87 0.02 2.61 -4.23 -1.26 -1.62 115.64 111.38 3ddo s THR 2094Ca 0.17 -1.79 -0.19 0.00 -1.18 0.00 0.00 61.69 58.70 3ddo s THR 2094Cb 0.01 -2.40 0.04 0.00 1.34 0.00 0.00 72.50 71.48 3ddo s THR 2094CO 0.12 -0.10 0.43 0.28 -0.54 0.00 0.00 174.62 174.80 3ddo s THR 2095N -1.67 0.05 -0.26 3.99 -1.32 -0.63 -4.85 115.64 110.95 3ddo s THR 2095Ca 0.23 -0.39 -0.10 0.00 -1.21 0.00 0.00 61.69 60.22 3ddo s THR 2095Cb -0.09 -0.88 -0.04 0.00 -1.51 0.00 0.00 72.50 69.98 3ddo s THR 2095CO 0.13 -0.22 0.15 -0.83 -2.21 0.00 0.00 174.62 171.64 3ddo s GLY 2096N -1.73 1.90 0.30 6.08 0.00 -1.08 -1.07 107.32 111.72 3ddo s GLY 2096Ca -0.08 -1.04 -0.24 0.00 0.00 0.00 0.00 44.72 43.36 3ddo s GLY 2096CO 0.01 0.54 0.89 0.00 0.00 0.00 0.00 173.10 174.54 3ddo s ALA 2097N 1.52 3.25 -0.32 3.20 0.00 -0.05 -0.91 121.76 128.45 3ddo s ALA 2097Ca 0.07 0.42 0.03 0.00 0.00 0.00 0.00 51.96 52.48 3ddo s ALA 2097Cb -0.15 -3.09 0.07 0.00 0.00 0.00 0.00 23.12 19.95 3ddo s ALA 2097CO 0.08 0.21 0.91 0.44 0.00 0.00 0.00 175.76 177.40 3ddo n ILE 2098N 0.53 0.65 -4.13 0.00 -5.35 0.03 -0.18 119.36 110.90 3ddo n ILE 2098Ca 0.01 -0.82 -0.35 0.00 -0.27 0.00 0.00 62.75 61.31 3ddo n ILE 2098Cb 0.51 0.70 -0.09 0.00 -1.74 0.00 0.00 39.64 39.02 3ddo n ILE 2098CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3ddo s GLN 2099N -0.74 3.43 0.32 6.28 -1.52 -1.24 -4.72 119.66 121.46 3ddo s GLN 2099Ca 0.06 -0.32 0.05 0.00 -1.95 0.00 0.00 55.36 53.20 3ddo s GLN 2099Cb 0.03 -3.03 0.68 0.00 -0.22 0.00 0.00 33.01 30.47 3ddo s GLN 2099CO 0.04 0.58 1.85 -1.35 -0.25 0.00 0.00 175.29 176.16 3ddo h PRO 2100N 5.63 0.83 -0.01 2.91 0.11 -1.96 -2.54 132.00 136.96 3ddo h PRO 2100Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3ddo h PRO 2100Cb 1.19 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3ddo h PRO 2100CO 0.61 0.55 -0.04 -2.39 -0.21 0.00 0.00 178.00 176.51 3ddo n HIS 2101N -4.59 0.00 -3.48 0.65 1.44 -1.26 -4.74 115.22 103.24 3ddo n HIS 2101Ca 0.18 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.51 3ddo n HIS 2101Cb 0.41 -0.08 -0.09 0.00 0.12 0.00 0.00 29.99 30.35 3ddo n HIS 2101CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3ddo s ILE 2102N -2.20 5.24 0.18 0.61 1.01 -0.96 -5.07 121.20 120.02 3ddo s ILE 2102Ca 0.38 0.50 -0.01 0.00 0.00 0.00 0.00 60.65 61.52 3ddo s ILE 2102Cb 0.21 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 3ddo s ILE 2102CO 0.40 0.26 0.36 0.20 0.00 0.00 0.00 174.94 176.16 3ddo s ASN 2103N 1.21 6.39 0.22 3.58 0.01 -1.26 -4.88 114.94 120.22 3ddo s ASN 2103Ca 0.14 0.39 -0.32 0.00 -0.71 0.00 0.00 52.86 52.36 3ddo s ASN 2103Cb -0.15 -2.00 -0.12 0.00 0.41 0.00 0.00 41.25 39.39 3ddo s ASN 2103CO 0.08 -0.00 1.68 0.52 -1.51 0.00 0.00 177.10 177.87 3ddo n VAL 2104N -0.48 0.22 0.00 1.60 0.31 -1.26 -1.51 118.33 117.21 3ddo n VAL 2104Ca -0.05 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 3ddo n VAL 2104Cb 0.53 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 3ddo n VAL 2104CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ddo n GLY 2105N 3.53 1.10 3.72 2.92 0.00 -0.11 -5.00 105.19 111.34 3ddo n GLY 2105Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 3ddo n GLY 2105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ddo s ASP 2106N -1.71 3.62 -0.15 1.61 1.11 -0.57 -4.72 116.67 115.86 3ddo s ASP 2106Ca 0.00 1.75 -0.01 0.00 0.18 0.00 0.00 52.55 54.47 3ddo s ASP 2106Cb 0.00 -2.39 -0.01 0.00 1.07 0.00 0.00 42.92 41.59 3ddo s ASP 2106CO 0.00 -2.58 -0.11 -0.69 1.18 0.00 0.00 175.17 172.97 3ddo s VAL 2107N -2.84 3.17 -0.17 -1.27 1.01 0.24 -1.52 120.40 119.03 3ddo s VAL 2107Ca 0.63 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 3ddo s VAL 2107Cb -0.19 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 3ddo s VAL 2107CO 0.57 0.50 -0.08 -0.76 0.00 0.00 0.00 175.10 175.34 3ddo s LEU 2108N 0.57 2.91 -0.21 3.92 1.43 -0.10 -1.26 118.68 125.94 3ddo s LEU 2108Ca -0.07 -0.30 -0.07 0.00 -1.03 0.00 0.00 54.13 52.67 3ddo s LEU 2108Cb -0.15 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 3ddo s LEU 2108CO 0.03 0.10 0.04 -0.69 0.23 0.00 0.00 176.35 176.07 3ddo s VAL 2109N 0.74 4.34 -0.23 -1.59 1.01 0.20 -1.17 120.40 123.70 3ddo s VAL 2109Ca -0.03 -0.18 -0.18 0.00 0.00 0.00 0.00 61.98 61.58 3ddo s VAL 2109Cb -0.15 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 3ddo s VAL 2109CO 0.02 0.41 0.53 -0.89 0.00 0.00 0.00 175.10 175.16 3ddo s THR 2110N 1.01 5.08 0.05 3.92 2.01 -0.66 -1.65 115.64 125.39 3ddo s THR 2110Ca 0.03 0.95 -0.06 0.00 0.31 0.00 0.00 61.69 62.92 3ddo s THR 2110Cb -0.14 -3.85 -0.30 0.00 0.01 0.00 0.00 72.50 68.22 3ddo s THR 2110CO 0.03 0.13 1.03 0.71 -0.69 0.00 0.00 174.62 175.82 3ddo h THR 2111N 5.25 1.36 -2.49 -0.82 1.35 -1.23 -3.41 112.91 112.91 3ddo h THR 2111Ca -0.31 -2.92 0.11 0.00 -0.55 0.00 0.00 66.41 62.74 3ddo h THR 2111Cb 1.15 2.91 -0.11 0.00 -1.73 0.00 0.00 68.15 70.36 3ddo h THR 2111CO 0.73 0.86 0.42 0.00 -0.25 0.00 0.00 175.52 177.28 3ddo s ALA 2112N -2.63 -1.68 0.07 6.62 0.00 -1.26 -1.14 121.76 121.74 3ddo s ALA 2112Ca -0.06 0.52 0.08 0.00 0.00 0.00 0.00 51.96 52.50 3ddo s ALA 2112Cb 0.06 0.61 -0.03 0.00 0.00 0.00 0.00 23.12 23.76 3ddo s ALA 2112CO 0.89 -0.85 -0.23 -1.12 0.00 0.00 0.00 175.76 174.45 3ddo s SER 2113N -2.71 2.78 0.00 0.00 0.01 -0.00 -2.18 113.70 111.60 3ddo s SER 2113Ca 0.07 -0.60 -0.30 0.00 1.31 0.00 0.00 55.95 56.43 3ddo s SER 2113Cb -0.02 -0.22 -0.05 0.00 0.21 0.00 0.00 66.02 65.94 3ddo s SER 2113CO -0.05 0.17 1.38 -0.69 0.41 0.00 0.00 173.24 174.46 3ddo s VAL 2114N -0.90 3.74 -1.23 3.43 1.01 0.74 -4.32 120.40 122.87 3ddo s VAL 2114Ca 0.09 1.13 -0.15 0.00 0.00 0.00 0.00 61.98 63.05 3ddo s VAL 2114Cb -0.09 -3.73 0.14 0.00 0.00 0.00 0.00 36.38 32.70 3ddo s VAL 2114CO 0.03 0.01 1.51 -0.13 0.00 0.00 0.00 175.10 176.52 3ddo s ARG 2115N 2.26 4.05 -0.46 2.72 0.52 -1.26 -1.40 118.95 125.38 3ddo s ARG 2115Ca 0.63 -2.39 0.03 0.00 -0.52 0.00 0.00 55.73 53.47 3ddo s ARG 2115Cb -0.31 -5.20 0.58 0.00 0.52 0.00 0.00 34.95 30.54 3ddo s ARG 2115CO 0.26 -1.91 1.89 1.28 0.02 0.00 0.00 175.30 176.85 3ddo n LEU 2116N 6.46 6.72 -4.70 2.53 4.77 -0.24 -4.93 117.00 127.61 3ddo n LEU 2116Ca 0.40 -3.61 -0.31 0.00 -0.03 0.00 0.00 56.01 52.45 3ddo n LEU 2116Cb 0.44 -0.85 -0.08 0.00 -2.33 0.00 0.00 43.42 40.59 3ddo n LEU 2116CO 0.66 1.10 -0.25 1.51 -1.33 0.00 0.00 177.39 179.08 3ddo s ASP 2117N -1.23 3.89 -0.11 -1.43 -4.77 -1.20 -1.48 116.67 110.33 3ddo s ASP 2117Ca 0.55 -1.61 0.10 0.00 -3.30 0.00 0.00 52.55 48.29 3ddo s ASP 2117Cb 0.45 0.36 -0.14 0.00 -1.09 0.00 0.00 42.92 42.51 3ddo s ASP 2117CO 0.08 -0.79 0.04 0.61 0.70 0.00 0.00 175.17 175.80 3ddo n GLY 2118N -1.16 -0.55 0.23 2.12 0.00 -1.26 -4.69 105.19 99.88 3ddo n GLY 2118Ca -0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 46.02 45.67 3ddo n GLY 2118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddo h ALA 2119N 0.55 1.24 -0.70 4.61 0.00 -1.98 -2.40 119.26 120.58 3ddo h ALA 2119Ca -0.30 -0.31 0.12 0.00 0.00 0.00 0.00 54.91 54.42 3ddo h ALA 2119Cb 1.69 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.32 3ddo h ALA 2119CO 0.02 0.50 0.47 0.66 0.00 0.00 0.00 179.25 180.89 3ddo h SER 2120N 0.34 0.42 0.70 0.00 4.64 -1.85 0.61 113.55 118.41 3ddo h SER 2120Ca 0.06 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3ddo h SER 2120Cb 0.58 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3ddo h SER 2120CO 0.04 0.23 0.00 0.18 -0.87 0.00 0.00 176.83 176.41 3ddo n LEU 2121N -4.48 0.51 -0.04 5.97 4.77 -0.90 -1.37 117.00 121.47 3ddo n LEU 2121Ca 0.13 0.62 0.15 0.00 -0.03 0.00 0.00 56.01 56.88 3ddo n LEU 2121Cb 0.44 -0.55 0.80 0.00 -2.33 0.00 0.00 43.42 41.79 3ddo n LEU 2121CO 0.33 -0.47 1.03 1.41 -1.33 0.00 0.00 177.39 178.36 3ddo n HIS 2122N -2.06 0.00 0.00 -1.77 8.25 0.21 -3.99 115.22 115.86 3ddo n HIS 2122Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 3ddo n HIS 2122Cb 0.22 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.18 3ddo n HIS 2122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3ddo n PHE 2123N -1.07 0.00 -3.60 4.41 3.72 -0.47 -5.09 117.46 115.36 3ddo n PHE 2123Ca 0.18 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.42 3ddo n PHE 2123Cb 0.20 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.67 3ddo n PHE 2123CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ddo s ALA 2124N -1.95 -1.49 0.90 4.37 0.00 -0.70 -5.00 121.76 117.89 3ddo s ALA 2124Ca 0.00 1.12 -0.11 0.00 0.00 0.00 0.00 51.96 52.96 3ddo s ALA 2124Cb 0.00 -0.11 0.13 0.00 0.00 0.00 0.00 23.12 23.15 3ddo s ALA 2124CO 0.00 -0.33 1.09 -1.25 0.00 0.00 0.00 175.76 175.27 3ddo s PRO 2125N -1.04 1.22 0.59 0.00 0.04 -1.26 -3.98 135.00 130.57 3ddo s PRO 2125Ca -0.10 0.91 0.29 0.00 0.04 0.00 0.00 61.00 62.14 3ddo s PRO 2125Cb -0.02 -1.80 1.79 0.00 0.04 0.00 0.00 34.50 34.51 3ddo s PRO 2125CO 0.07 -2.29 2.24 1.98 0.04 0.00 0.00 177.00 179.05 3ddo h MET 2126N -1.59 0.00 0.00 4.56 4.05 -1.94 -1.28 114.93 118.73 3ddo h MET 2126Ca -0.49 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 58.90 3ddo h MET 2126Cb 1.28 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.08 3ddo h MET 2126CO 0.53 0.00 -0.12 0.93 0.23 0.00 0.00 176.91 178.49 3ddo h GLU 2127N 0.00 0.00 -6.70 0.39 3.07 -2.03 -3.43 114.58 105.88 3ddo h GLU 2127Ca 0.01 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.35 3ddo h GLU 2127Cb 0.03 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 27.96 3ddo h GLU 2127CO -0.00 0.12 0.54 0.12 -1.40 0.00 0.00 179.01 178.39 3ddo s PHE 2128N -4.09 3.45 0.17 4.33 5.36 -0.49 -5.00 117.98 121.72 3ddo s PHE 2128Ca -0.02 1.49 -0.30 0.00 -0.96 0.00 0.00 56.93 57.14 3ddo s PHE 2128Cb 0.12 -3.40 -0.07 0.00 -0.34 0.00 0.00 43.02 39.33 3ddo s PHE 2128CO 0.58 -1.07 0.96 -1.25 -1.46 0.00 0.00 175.22 172.98 3ddo s PRO 2129N -0.55 4.76 -1.38 10.12 0.04 -1.26 -4.94 135.00 141.79 3ddo s PRO 2129Ca 0.51 1.49 -0.14 0.00 0.04 0.00 0.00 61.00 62.90 3ddo s PRO 2129Cb -0.33 -3.33 0.08 0.00 0.04 0.00 0.00 34.50 30.97 3ddo s PRO 2129CO 0.38 0.34 2.02 0.00 0.04 0.00 0.00 177.00 179.78 3ddo n ALA 2130N 2.18 5.06 -2.77 8.56 0.00 -1.26 -4.74 120.51 127.54 3ddo n ALA 2130Ca 0.00 -3.99 -0.36 0.00 0.00 0.00 0.00 53.44 49.09 3ddo n ALA 2130Cb 0.48 -3.40 -0.08 0.00 0.00 0.00 0.00 19.45 16.45 3ddo n ALA 2130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ddo s VAL 2131N 2.65 4.80 0.62 0.00 0.11 -1.26 -0.82 120.40 126.50 3ddo s VAL 2131Ca 0.46 -0.06 -0.14 0.00 -2.93 0.00 0.00 61.98 59.31 3ddo s VAL 2131Cb 0.10 -3.06 -0.02 0.00 -1.53 0.00 0.00 36.38 31.87 3ddo s VAL 2131CO -0.03 0.60 1.05 0.00 -3.33 0.00 0.00 175.10 173.39 3ddo s ALA 2132N -0.87 2.74 0.25 1.54 0.00 -0.29 -4.65 121.76 120.47 3ddo s ALA 2132Ca 0.13 0.29 -0.30 0.00 0.00 0.00 0.00 51.96 52.09 3ddo s ALA 2132Cb -0.12 -3.21 -0.10 0.00 0.00 0.00 0.00 23.12 19.70 3ddo s ALA 2132CO 0.03 -0.91 1.39 0.34 0.00 0.00 0.00 175.76 176.61 3ddo s ASP 2133N -3.10 6.72 0.19 0.00 2.15 0.14 -4.94 116.67 117.83 3ddo s ASP 2133Ca 0.62 2.62 -0.10 0.00 0.43 0.00 0.00 52.55 56.12 3ddo s ASP 2133Cb -0.15 -2.63 0.12 0.00 -0.30 0.00 0.00 42.92 39.96 3ddo s ASP 2133CO 0.42 -0.64 1.75 0.15 -0.17 0.00 0.00 175.17 176.68 3ddo h PHE 2134N 4.78 1.07 -0.57 -5.34 3.57 -1.95 -0.85 116.94 117.64 3ddo h PHE 2134Ca -0.46 -0.08 -0.09 0.00 3.53 0.00 0.00 57.97 60.86 3ddo h PHE 2134Cb 1.22 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.62 3ddo h PHE 2134CO 0.60 0.83 0.01 0.00 -2.23 0.00 0.00 178.31 177.52 3ddo h ALA 2135N 1.12 0.77 -0.40 2.41 0.00 -1.95 -0.21 119.26 121.00 3ddo h ALA 2135Ca 0.23 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3ddo h ALA 2135Cb 0.22 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3ddo h ALA 2135CO -0.02 0.59 0.06 0.00 0.00 0.00 0.00 179.25 179.88 3ddo h THR 2137N 0.51 1.23 -0.62 0.00 2.02 -1.04 -1.41 112.91 113.60 3ddo h THR 2137Ca 0.12 -0.73 0.01 0.00 0.77 0.00 0.00 66.41 66.58 3ddo h THR 2137Cb 0.38 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 3ddo h THR 2137CO 0.01 0.28 0.41 0.74 0.37 0.00 0.00 175.52 177.33 3ddo h THR 2138N 0.84 1.16 -0.59 3.16 2.02 -0.92 -1.21 112.91 117.38 3ddo h THR 2138Ca 0.20 -0.30 -0.05 0.00 0.77 0.00 0.00 66.41 67.03 3ddo h THR 2138Cb 0.21 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 66.85 3ddo h THR 2138CO -0.02 0.16 0.18 0.00 0.37 0.00 0.00 175.52 176.21 3ddo h ALA 2139N 1.22 1.21 -0.35 6.16 0.00 -0.77 -0.13 119.26 126.61 3ddo h ALA 2139Ca 0.23 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 3ddo h ALA 2139Cb -0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3ddo h ALA 2139CO -0.05 0.56 -0.14 -0.07 0.00 0.00 0.00 179.25 179.54 3ddo h LEU 2140N 0.86 0.73 -0.61 0.00 3.38 -0.87 -0.35 115.31 118.45 3ddo h LEU 2140Ca 0.19 -0.40 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 3ddo h LEU 2140Cb 0.26 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3ddo h LEU 2140CO -0.01 0.96 0.20 0.58 0.09 0.00 0.00 178.44 180.26 3ddo h VAL 2141N 0.50 1.24 -0.19 1.22 2.07 -0.90 -1.28 116.25 118.92 3ddo h VAL 2141Ca 0.08 -0.82 -0.13 0.00 0.82 0.00 0.00 66.70 66.65 3ddo h VAL 2141Cb 0.68 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3ddo h VAL 2141CO 0.05 0.31 -0.42 -0.33 0.02 0.00 0.00 177.57 177.20 3ddo h GLU 2142N 0.87 0.44 -0.42 1.57 4.39 -0.97 -2.77 114.58 117.68 3ddo h GLU 2142Ca 0.20 -0.22 -0.10 0.00 0.34 0.00 0.00 59.36 59.57 3ddo h GLU 2142Cb 0.28 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 3ddo h GLU 2142CO -0.01 0.78 -0.15 0.00 -1.16 0.00 0.00 179.01 178.47 3ddo h ALA 2143N 1.19 0.93 -0.42 3.43 0.00 -0.83 -2.39 119.26 121.17 3ddo h ALA 2143Ca 0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 3ddo h ALA 2143Cb 0.89 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3ddo h ALA 2143CO 0.07 0.62 0.20 0.00 0.00 0.00 0.00 179.25 180.14 3ddo h ALA 2144N 1.12 1.57 -0.42 0.00 0.00 -0.96 -0.08 119.26 120.48 3ddo h ALA 2144Ca 0.11 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3ddo h ALA 2144Cb 0.65 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3ddo h ALA 2144CO 0.05 0.35 -0.05 0.87 0.00 0.00 0.00 179.25 180.47 3ddo h LYS 2145N 0.58 0.77 -0.67 0.00 1.57 -1.27 -1.09 116.57 116.46 3ddo h LYS 2145Ca 0.15 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 58.60 3ddo h LYS 2145Cb 0.07 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 3ddo h LYS 2145CO -0.02 0.87 0.22 1.03 -0.57 0.00 0.00 179.45 180.98 3ddo h SER 2146N 0.59 0.97 0.66 0.86 0.87 -0.83 -3.18 113.55 113.50 3ddo h SER 2146Ca 0.11 -0.20 -0.27 0.00 -1.23 0.00 0.00 61.79 60.20 3ddo h SER 2146Cb 0.56 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.26 3ddo h SER 2146CO 0.03 0.91 -1.25 0.40 -0.53 0.00 0.00 176.83 176.39 3ddo h ILE 2147N 0.97 1.48 -1.71 2.23 1.08 -1.04 -3.50 117.51 117.02 3ddo h ILE 2147Ca 0.22 -3.08 0.00 0.00 -0.39 0.00 0.00 64.86 61.61 3ddo h ILE 2147Cb 0.28 2.90 0.00 0.00 -3.07 0.00 0.00 36.82 36.94 3ddo h ILE 2147CO -0.01 0.89 0.00 0.61 -0.69 0.00 0.00 178.15 178.95 3ddo n GLY 2148N 1.52 -1.87 3.56 5.37 0.00 -0.41 -5.10 105.19 108.26 3ddo n GLY 2148Ca -0.08 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 3ddo n GLY 2148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddo s ALA 2149N 0.00 -1.88 -0.39 4.61 0.00 -1.23 -4.99 121.76 117.89 3ddo s ALA 2149Ca 0.00 1.49 -0.29 0.00 0.00 0.00 0.00 51.96 53.16 3ddo s ALA 2149Cb 0.00 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.67 3ddo s ALA 2149CO 0.00 -0.34 1.22 0.99 0.00 0.00 0.00 175.76 177.63 3ddo s THR 2150N -1.21 4.20 -0.03 0.00 2.01 -1.26 -4.92 115.64 114.42 3ddo s THR 2150Ca -0.04 1.29 0.07 0.00 0.31 0.00 0.00 61.69 63.33 3ddo s THR 2150Cb -0.00 -4.37 -0.02 0.00 0.01 0.00 0.00 72.50 68.12 3ddo s THR 2150CO 0.04 -0.71 -0.25 -0.89 -0.69 0.00 0.00 174.62 172.11 3ddo s THR 2151N 4.45 2.00 0.02 -0.82 2.01 -1.26 -0.59 115.64 121.45 3ddo s THR 2151Ca 0.52 -1.07 0.06 0.00 0.31 0.00 0.00 61.69 61.51 3ddo s THR 2151Cb -0.12 -1.67 -0.02 0.00 0.01 0.00 0.00 72.50 70.71 3ddo s THR 2151CO 0.26 0.56 -0.18 -1.00 -0.69 0.00 0.00 174.62 173.57 3ddo s HIS 2152N -0.47 1.62 -0.10 4.92 3.76 -0.39 -4.98 115.29 119.66 3ddo s HIS 2152Ca 0.06 -0.34 0.02 0.00 -0.15 0.00 0.00 55.06 54.65 3ddo s HIS 2152Cb -0.11 -1.00 0.01 0.00 1.11 0.00 0.00 32.58 32.60 3ddo s HIS 2152CO 0.00 0.03 -0.17 0.08 -0.85 0.00 0.00 174.74 173.84 3ddo s VAL 2153N -0.65 1.58 -2.81 -0.90 1.01 -1.26 -0.63 120.40 116.73 3ddo s VAL 2153Ca 0.06 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.32 3ddo s VAL 2153Cb -0.08 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.89 3ddo s VAL 2153CO 0.01 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.17 3ddo n GLY 2154N 3.92 -0.56 3.81 4.51 0.00 -0.66 -4.95 105.19 111.26 3ddo n GLY 2154Ca -0.20 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 44.68 3ddo n GLY 2154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ddo s VAL 2155N -3.35 4.64 0.01 1.61 1.01 -1.26 -0.66 120.40 122.41 3ddo s VAL 2155Ca 0.00 1.26 0.08 0.00 0.00 0.00 0.00 61.98 63.31 3ddo s VAL 2155Cb 0.00 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 3ddo s VAL 2155CO 0.00 0.40 -0.23 -0.89 0.00 0.00 0.00 175.10 174.38 3ddo s THR 2156N -1.29 1.83 -0.23 3.92 2.01 -0.92 -0.45 115.64 120.51 3ddo s THR 2156Ca 0.36 -1.13 -0.15 0.00 0.31 0.00 0.00 61.69 61.07 3ddo s THR 2156Cb -0.19 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 3ddo s THR 2156CO 0.21 0.39 0.37 0.00 -0.69 0.00 0.00 174.62 174.90 3ddo s ALA 2157N -0.67 3.57 -0.30 7.40 0.00 0.35 -0.19 121.76 131.92 3ddo s ALA 2157Ca 0.09 -0.67 -0.03 0.00 0.00 0.00 0.00 51.96 51.35 3ddo s ALA 2157Cb -0.09 -2.65 0.04 0.00 0.00 0.00 0.00 23.12 20.42 3ddo s ALA 2157CO 0.01 -0.44 0.02 0.45 0.00 0.00 0.00 175.76 175.79 3ddo s SER 2158N 1.29 4.90 -0.09 0.00 0.15 -0.49 -1.69 113.70 117.76 3ddo s SER 2158Ca 0.17 -1.12 -0.00 0.00 0.70 0.00 0.00 55.95 55.69 3ddo s SER 2158Cb -0.15 -1.75 -0.03 0.00 -1.71 0.00 0.00 66.02 62.38 3ddo s SER 2158CO 0.08 -0.24 -0.05 -0.55 1.20 0.00 0.00 173.24 173.67 3ddo s SER 2159N 1.32 4.74 0.00 5.45 0.15 0.00 -1.08 113.70 124.28 3ddo s SER 2159Ca -0.03 -0.02 0.18 0.00 0.70 0.00 0.00 55.95 56.78 3ddo s SER 2159Cb -0.19 -1.33 0.88 0.00 -1.71 0.00 0.00 66.02 63.67 3ddo s SER 2159CO -0.01 0.33 1.55 0.47 1.20 0.00 0.00 173.24 176.78 3ddo n ASP 2160N 2.47 0.00 -4.20 5.45 9.92 -0.55 -4.37 116.55 125.28 3ddo n ASP 2160Ca -0.18 0.11 -0.17 0.00 -0.53 0.00 0.00 54.79 54.02 3ddo n ASP 2160Cb 0.53 -0.32 -0.11 0.00 -0.64 0.00 0.00 41.12 40.57 3ddo n ASP 2160CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3ddo s THR 2161N -2.65 1.14 0.05 -3.53 -4.23 -1.26 -5.02 115.64 100.14 3ddo s THR 2161Ca 0.16 -1.54 0.09 0.00 -1.18 0.00 0.00 61.69 59.22 3ddo s THR 2161Cb 0.12 -1.31 -0.17 0.00 1.34 0.00 0.00 72.50 72.49 3ddo s THR 2161CO 0.28 -0.38 1.21 0.15 -0.54 0.00 0.00 174.62 175.34 3ddo h PHE 2162N 3.82 0.00 0.00 3.99 3.57 -1.97 -3.38 116.94 122.97 3ddo h PHE 2162Ca -0.39 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.11 3ddo h PHE 2162Cb 1.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.93 3ddo h PHE 2162CO 0.64 0.91 0.00 0.66 -2.23 0.00 0.00 178.31 178.29 3ddo n TYR 2163N -3.27 0.00 0.00 0.41 4.02 -1.26 -4.39 117.16 112.67 3ddo n TYR 2163Ca -0.02 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.84 3ddo n TYR 2163Cb 0.92 0.00 0.21 0.00 -0.02 0.00 0.00 39.34 40.45 3ddo n TYR 2163CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3ddo h PRO 2164N 0.00 0.52 0.00 -0.72 0.13 -1.87 -0.34 132.00 129.72 3ddo h PRO 2164Ca 0.00 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 3ddo h PRO 2164Cb 0.00 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.09 3ddo h PRO 2164CO 0.00 0.69 0.00 0.78 -0.23 0.00 0.00 178.00 179.24 3ddo h GLY 2165N 0.98 0.00 -2.14 1.56 0.00 -1.87 -0.54 103.07 101.06 3ddo h GLY 2165Ca 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 3ddo h GLY 2165CO 0.04 0.00 0.02 -1.06 0.00 0.00 0.00 176.54 175.54 3ddo n GLN 2166N -2.71 3.25 -4.11 4.80 6.02 -0.80 -4.93 117.38 118.91 3ddo n GLN 2166Ca -0.00 -2.95 -0.32 0.00 -0.01 0.00 0.00 57.00 53.72 3ddo n GLN 2166Cb 0.19 -1.95 -0.04 0.00 1.02 0.00 0.00 30.24 29.46 3ddo n GLN 2166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3ddo n GLU 2167N -0.34 -1.55 -3.32 -1.09 2.13 -0.21 -4.93 120.64 111.34 3ddo n GLU 2167Ca 0.25 0.21 -0.38 0.00 0.66 0.00 0.00 57.16 57.90 3ddo n GLU 2167Cb 1.00 -3.72 -0.06 0.00 0.27 0.00 0.00 31.44 28.93 3ddo n GLU 2167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3ddo s ARG 2168N -7.02 4.18 -0.00 5.31 0.52 -0.20 -4.98 118.95 116.76 3ddo s ARG 2168Ca 0.14 0.61 0.10 0.00 -0.52 0.00 0.00 55.73 56.06 3ddo s ARG 2168Cb -0.07 -3.29 -0.12 0.00 0.52 0.00 0.00 34.95 31.99 3ddo s ARG 2168CO 0.95 0.50 0.44 0.66 0.02 0.00 0.00 175.30 177.87 3ddo n TYR 2169N 2.32 0.00 -0.78 -0.53 4.01 -1.26 -4.51 117.16 116.42 3ddo n TYR 2169Ca -0.10 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.40 3ddo n TYR 2169Cb 0.51 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.51 3ddo n TYR 2169CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3ddo n ASP 2170N -1.28 4.30 -4.32 7.72 10.43 -1.26 -4.37 116.55 127.76 3ddo n ASP 2170Ca 0.02 -2.37 -0.17 0.00 2.57 0.00 0.00 54.79 54.84 3ddo n ASP 2170Cb 0.17 -1.07 -0.10 0.00 1.84 0.00 0.00 41.12 41.95 3ddo n ASP 2170CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 3ddo s THR 2171N 3.75 0.66 0.19 -3.53 -4.23 -1.26 -5.02 115.64 106.20 3ddo s THR 2171Ca 0.41 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.80 3ddo s THR 2171Cb 0.10 -2.59 0.11 0.00 1.34 0.00 0.00 72.50 71.47 3ddo s THR 2171CO -0.01 -0.06 1.73 0.22 -0.54 0.00 0.00 174.62 175.96 3ddo h TYR 2172N 2.39 0.26 0.00 3.99 3.20 -1.99 -3.04 116.97 121.79 3ddo h TYR 2172Ca -0.38 0.03 -0.25 0.00 3.14 0.00 0.00 58.73 61.26 3ddo h TYR 2172Cb 1.24 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 39.43 3ddo h TYR 2172CO 0.48 0.05 -1.53 0.66 -1.64 0.00 0.00 178.16 176.18 3ddo h SER 2173N 0.31 0.00 -0.23 -2.11 4.64 -1.97 -3.48 113.55 110.72 3ddo h SER 2173Ca 0.26 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.48 3ddo h SER 2173Cb 0.32 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.38 3ddo h SER 2173CO -0.30 0.90 -0.09 0.61 -0.87 0.00 0.00 176.83 177.08 3ddo n GLY 2174N 1.49 0.67 3.33 -0.77 0.00 -1.15 -4.99 105.19 103.77 3ddo n GLY 2174Ca -0.13 -0.23 -0.17 0.00 0.00 0.00 0.00 46.02 45.49 3ddo n GLY 2174CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ddo s ARG 2175N -1.87 1.28 -0.01 1.61 1.70 -1.26 -4.94 118.95 115.45 3ddo s ARG 2175Ca 0.00 -1.58 0.02 0.00 -0.47 0.00 0.00 55.73 53.69 3ddo s ARG 2175Cb 0.00 -0.92 0.00 0.00 -0.57 0.00 0.00 34.95 33.47 3ddo s ARG 2175CO 0.00 0.10 -0.05 0.08 -1.08 0.00 0.00 175.30 174.35 3ddo s VAL 2176N -3.14 0.44 0.69 4.99 1.01 -1.26 -4.93 120.40 118.21 3ddo s VAL 2176Ca 0.22 -0.19 -0.17 0.00 0.00 0.00 0.00 61.98 61.85 3ddo s VAL 2176Cb 0.02 -0.41 0.01 0.00 0.00 0.00 0.00 36.38 36.00 3ddo s VAL 2176CO 0.06 0.15 1.25 0.54 0.00 0.00 0.00 175.10 177.10 3ddo s VAL 2177N 0.19 2.14 0.26 2.92 0.11 -1.26 -4.55 120.40 120.21 3ddo s VAL 2177Ca -0.02 0.08 -0.08 0.00 -2.93 0.00 0.00 61.98 59.03 3ddo s VAL 2177Cb -0.06 -2.85 0.38 0.00 -1.53 0.00 0.00 36.38 32.32 3ddo s VAL 2177CO -0.00 -0.03 1.59 -0.09 -3.33 0.00 0.00 175.10 173.24 3ddo h ARG 2178N 0.13 0.01 -0.79 1.54 2.43 -2.00 0.60 114.38 116.30 3ddo h ARG 2178Ca -0.49 -0.00 0.19 0.00 -0.81 0.00 0.00 59.98 58.87 3ddo h ARG 2178Cb 1.32 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.82 3ddo h ARG 2178CO 0.51 0.01 0.54 -0.09 -1.51 0.00 0.00 179.97 179.43 3ddo h ARG 2179N 0.01 0.25 -0.00 0.20 2.43 -2.02 -2.43 114.38 112.81 3ddo h ARG 2179Ca 0.44 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 3ddo h ARG 2179Cb 0.72 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 3ddo h ARG 2179CO -0.88 0.16 -0.56 1.19 -1.51 0.00 0.00 179.97 178.37 3ddo n PHE 2180N -4.43 0.00 -1.66 2.20 3.72 0.14 -4.77 117.46 112.67 3ddo n PHE 2180Ca 0.16 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.14 3ddo n PHE 2180Cb 0.69 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.20 3ddo n PHE 2180CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3ddo n LYS 2181N -0.91 2.85 -0.87 -1.08 5.02 -0.82 -1.46 118.16 120.89 3ddo n LYS 2181Ca 0.04 1.04 0.00 0.00 -2.02 0.00 0.00 58.31 57.37 3ddo n LYS 2181Cb 0.27 -3.02 0.00 0.00 -0.02 0.00 0.00 35.03 32.25 3ddo n LYS 2181CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ddo n GLY 2182N 4.60 0.76 0.21 0.72 0.00 -1.26 -4.93 105.19 105.29 3ddo n GLY 2182Ca 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.15 3ddo n GLY 2182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ddo h SER 2183N 0.00 0.53 -0.52 1.61 4.64 -1.55 -2.96 113.55 115.30 3ddo h SER 2183Ca 0.00 -0.26 -0.01 0.00 -0.47 0.00 0.00 61.79 61.05 3ddo h SER 2183Cb 0.00 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 61.91 3ddo h SER 2183CO 0.00 0.94 0.30 -0.03 -0.87 0.00 0.00 176.83 177.16 3ddo h MET 2184N 0.38 0.72 -0.07 4.77 -1.53 -1.92 -0.46 114.93 116.83 3ddo h MET 2184Ca 0.02 -0.08 -0.08 0.00 -3.44 0.00 0.00 59.70 56.12 3ddo h MET 2184Cb 1.01 -0.14 -0.01 0.00 -0.55 0.00 0.00 31.60 31.90 3ddo h MET 2184CO 0.09 0.55 -0.31 0.93 0.14 0.00 0.00 176.91 178.31 3ddo h GLU 2185N 0.70 0.14 0.04 0.39 5.08 -1.97 -0.63 114.58 118.33 3ddo h GLU 2185Ca 0.18 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3ddo h GLU 2185Cb 0.03 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3ddo h GLU 2185CO -0.03 0.44 -0.02 0.93 -1.00 0.00 0.00 179.01 179.33 3ddo h GLU 2186N 0.12 -0.05 -0.93 2.33 5.08 -1.18 -1.29 114.58 118.66 3ddo h GLU 2186Ca 0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3ddo h GLU 2186Cb 0.61 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 3ddo h GLU 2186CO 0.04 0.08 0.56 -1.49 -1.00 0.00 0.00 179.01 177.21 3ddo h TRP 2187N -0.18 1.23 -0.55 4.33 -0.00 -0.87 -2.15 115.95 117.75 3ddo h TRP 2187Ca -0.01 -0.00 0.06 0.00 -0.00 0.00 0.00 58.89 58.93 3ddo h TRP 2187Cb 0.16 -0.40 -0.05 0.00 -0.00 0.00 0.00 29.16 28.87 3ddo h TRP 2187CO -0.03 0.82 0.27 0.37 -0.00 0.00 0.00 178.44 179.86 3ddo h GLN 2188N 1.28 0.50 0.00 0.49 4.15 -1.00 -1.30 115.11 119.22 3ddo h GLN 2188Ca 0.33 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.68 3ddo h GLN 2188Cb -0.05 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.52 3ddo h GLN 2188CO -0.06 0.33 -0.22 0.00 -1.93 0.00 0.00 178.83 176.95 3ddo h ALA 2189N 1.31 1.24 -0.15 3.38 0.00 -0.79 -1.79 119.26 122.47 3ddo h ALA 2189Ca 0.25 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ddo h ALA 2189Cb 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3ddo h ALA 2189CO -0.19 0.28 0.00 -1.33 0.00 0.00 0.00 179.25 178.01 3ddo n MET 2190N -3.71 1.59 -0.83 0.00 2.81 -0.71 -4.92 117.12 111.35 3ddo n MET 2190Ca -0.01 -0.88 0.00 0.00 -1.81 0.00 0.00 57.70 54.99 3ddo n MET 2190Cb 0.34 -1.36 0.00 0.00 -0.71 0.00 0.00 33.22 31.49 3ddo n MET 2190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ddo n GLY 2191N 1.05 0.64 3.74 3.03 0.00 -0.67 -5.01 105.19 107.96 3ddo n GLY 2191Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3ddo n GLY 2191CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ddo s VAL 2192N -2.27 2.50 0.05 1.61 1.01 -0.57 -4.63 120.40 118.09 3ddo s VAL 2192Ca 0.00 0.41 -0.04 0.00 0.00 0.00 0.00 61.98 62.35 3ddo s VAL 2192Cb 0.00 -3.26 -0.28 0.00 0.00 0.00 0.00 36.38 32.84 3ddo s VAL 2192CO 0.00 0.06 1.04 0.24 0.00 0.00 0.00 175.10 176.44 3ddo h MET 2193N 5.25 0.27 -2.18 2.72 0.00 -1.09 -3.42 114.93 116.49 3ddo h MET 2193Ca -0.46 -0.46 0.16 0.00 0.00 0.00 0.00 59.70 58.94 3ddo h MET 2193Cb 1.22 0.17 -0.13 0.00 0.00 0.00 0.00 31.60 32.86 3ddo h MET 2193CO 0.80 1.19 0.54 0.54 0.00 0.00 0.00 176.91 179.98 3ddo s ASN 2194N -7.10 -0.26 -0.02 1.22 4.22 -1.26 -0.79 114.94 110.95 3ddo s ASN 2194Ca -0.06 -0.15 0.01 0.00 -2.14 0.00 0.00 52.86 50.53 3ddo s ASN 2194Cb 0.07 0.38 -0.03 0.00 1.28 0.00 0.00 41.25 42.95 3ddo s ASN 2194CO 0.88 -0.66 -0.03 -0.31 -2.04 0.00 0.00 177.10 174.93 3ddo s TYR 2195N -3.07 3.01 0.00 1.54 2.02 -0.09 -0.50 117.35 120.27 3ddo s TYR 2195Ca 0.08 0.05 0.00 0.00 -0.37 0.00 0.00 57.07 56.84 3ddo s TYR 2195Cb -0.01 -1.68 0.00 0.00 -0.40 0.00 0.00 41.96 39.88 3ddo s TYR 2195CO -0.05 0.41 0.00 -0.85 -1.57 0.00 0.00 175.55 173.50 3ddo n GLU 2196N 1.70 0.00 0.00 -0.62 -0.00 -0.68 -2.63 120.64 118.41 3ddo n GLU 2196Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.00 3ddo n GLU 2196Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 3ddo n GLU 2196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3ddo n MET 2197N 0.00 0.94 0.00 3.44 2.81 -1.26 -0.82 117.12 122.23 3ddo n MET 2197Ca 0.00 -0.80 0.00 0.00 -1.81 0.00 0.00 57.70 55.09 3ddo n MET 2197Cb 0.00 -0.77 0.00 0.00 -0.71 0.00 0.00 33.22 31.74 3ddo n MET 2197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3ddo n GLU 2198N -0.18 2.78 0.04 0.03 4.71 -1.26 -3.45 120.64 123.31 3ddo n GLU 2198Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.10 3ddo n GLU 2198Cb 0.29 -0.75 0.14 0.00 -1.01 0.00 0.00 31.44 30.11 3ddo n GLU 2198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3ddo h SER 2199N 0.00 0.43 -0.50 1.62 4.64 -1.94 -1.72 113.55 116.08 3ddo h SER 2199Ca 0.00 -0.20 -0.01 0.00 -0.47 0.00 0.00 61.79 61.11 3ddo h SER 2199Cb 0.00 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 3ddo h SER 2199CO 0.00 0.83 0.26 0.00 -0.87 0.00 0.00 176.83 177.06 3ddo h ALA 2200N 1.19 0.64 -0.05 5.18 0.00 -1.87 0.27 119.26 124.62 3ddo h ALA 2200Ca 0.02 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3ddo h ALA 2200Cb 0.93 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3ddo h ALA 2200CO 0.08 0.17 0.02 1.15 0.00 0.00 0.00 179.25 180.66 3ddo h THR 2201N 0.66 1.18 0.19 0.00 2.02 -1.89 -1.98 112.91 113.09 3ddo h THR 2201Ca 0.17 -0.53 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 3ddo h THR 2201Cb 0.07 1.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.91 3ddo h THR 2201CO -0.03 0.15 -0.11 0.25 0.37 0.00 0.00 175.52 176.15 3ddo h LEU 2202N -0.12 -0.26 -0.63 2.58 5.85 -0.99 -0.58 115.31 121.15 3ddo h LEU 2202Ca 0.02 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.65 3ddo h LEU 2202Cb 0.22 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3ddo h LEU 2202CO -0.00 -0.18 -0.04 -0.07 -0.34 0.00 0.00 178.44 177.81 3ddo h LEU 2203N -0.29 1.01 -0.19 2.25 3.38 -0.51 -1.81 115.31 119.16 3ddo h LEU 2203Ca -0.02 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.59 3ddo h LEU 2203Cb 0.23 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3ddo h LEU 2203CO 0.03 1.09 -0.08 0.74 0.09 0.00 0.00 178.44 180.30 3ddo h THR 2204N 0.93 1.31 -0.05 0.22 2.02 -1.24 0.22 112.91 116.32 3ddo h THR 2204Ca 0.16 -1.13 -0.09 0.00 0.77 0.00 0.00 66.41 66.12 3ddo h THR 2204Cb 0.60 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.65 3ddo h THR 2204CO 0.04 0.34 -0.37 0.00 0.37 0.00 0.00 175.52 175.90 3ddo h MET 2205N 0.08 0.11 0.03 6.66 -0.00 -1.05 -1.94 114.93 118.82 3ddo h MET 2205Ca 0.04 -0.04 -0.08 0.00 -0.00 0.00 0.00 59.70 59.62 3ddo h MET 2205Cb 0.56 -0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.17 3ddo h MET 2205CO 0.03 0.46 -0.34 0.00 -0.00 0.00 0.00 176.91 177.06 3ddo h ALA 2207N 0.17 1.31 -0.25 0.00 0.00 -0.90 -1.25 119.26 118.34 3ddo h ALA 2207Ca -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3ddo h ALA 2207Cb 1.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3ddo h ALA 2207CO 0.07 0.11 0.00 -1.13 0.00 0.00 0.00 179.25 178.30 3ddo n SER 2208N -3.64 3.05 -0.13 0.00 3.41 -0.73 -4.38 113.62 111.20 3ddo n SER 2208Ca -0.02 -1.94 0.02 0.00 -0.26 0.00 0.00 58.87 56.66 3ddo n SER 2208Cb 0.20 -0.15 0.02 0.00 -0.26 0.00 0.00 64.21 64.02 3ddo n SER 2208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ddo n GLN 2209N 1.27 0.95 -1.87 4.33 6.02 -0.79 -5.01 117.38 122.28 3ddo n GLN 2209Ca 0.18 -1.22 -0.08 0.00 -0.01 0.00 0.00 57.00 55.87 3ddo n GLN 2209Cb 0.56 -0.79 -0.01 0.00 1.02 0.00 0.00 30.24 31.02 3ddo n GLN 2209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ddo n GLY 2210N -0.37 0.33 3.64 1.08 0.00 -1.05 -5.03 105.19 103.79 3ddo n GLY 2210Ca 0.03 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.14 3ddo n GLY 2210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ddo s LEU 2211N -2.09 3.30 -0.08 0.99 1.43 -0.54 -5.06 118.68 116.63 3ddo s LEU 2211Ca 0.00 -0.21 -0.15 0.00 -1.03 0.00 0.00 54.13 52.74 3ddo s LEU 2211Cb 0.00 -2.00 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 3ddo s LEU 2211CO 0.00 0.21 0.39 -0.13 0.23 0.00 0.00 176.35 177.04 3ddo s ARG 2212N -2.01 4.09 0.01 1.70 0.52 -0.19 -3.99 118.95 119.08 3ddo s ARG 2212Ca 0.22 0.32 0.00 0.00 -0.52 0.00 0.00 55.73 55.75 3ddo s ARG 2212Cb -0.11 -3.33 -0.01 0.00 0.52 0.00 0.00 34.95 32.02 3ddo s ARG 2212CO 0.14 0.44 -0.02 0.00 0.02 0.00 0.00 175.30 175.88 3ddo s ALA 2213N -0.24 0.09 0.17 2.13 0.00 -1.26 -0.38 121.76 122.27 3ddo s ALA 2213Ca 0.22 -0.39 0.01 0.00 0.00 0.00 0.00 51.96 51.80 3ddo s ALA 2213Cb -0.15 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 3ddo s ALA 2213CO 0.10 -0.10 0.03 0.20 0.00 0.00 0.00 175.76 175.99 3ddo s GLY 2214N -0.95 1.21 -0.09 0.00 0.00 -0.45 -0.69 107.32 106.35 3ddo s GLY 2214Ca -0.10 -1.59 -0.04 0.00 0.00 0.00 0.00 44.72 42.99 3ddo s GLY 2214CO -0.01 -1.48 0.18 -0.29 0.00 0.00 0.00 173.10 171.50 3ddo s MET 2215N -3.97 0.09 0.03 2.90 1.75 -1.26 -1.26 119.30 117.57 3ddo s MET 2215Ca 0.26 0.54 0.02 0.00 -1.25 0.00 0.00 55.69 55.26 3ddo s MET 2215Cb 0.07 -0.19 -0.02 0.00 2.84 0.00 0.00 34.83 37.53 3ddo s MET 2215CO 0.05 -0.25 -0.08 0.54 -0.65 0.00 0.00 175.02 174.62 3ddo s VAL 2216N 1.91 0.60 0.01 10.11 0.11 -0.50 -1.66 120.40 130.98 3ddo s VAL 2216Ca -0.02 -0.86 -0.11 0.00 -2.93 0.00 0.00 61.98 58.05 3ddo s VAL 2216Cb -0.12 -0.61 0.01 0.00 -1.53 0.00 0.00 36.38 34.14 3ddo s VAL 2216CO -0.07 -0.20 0.24 0.00 -3.33 0.00 0.00 175.10 171.74 3ddo s ALA 2217N -1.00 -0.56 -0.12 1.54 0.00 -0.32 -1.16 121.76 120.15 3ddo s ALA 2217Ca -0.05 0.03 -0.12 0.00 0.00 0.00 0.00 51.96 51.82 3ddo s ALA 2217Cb -0.08 0.16 -0.05 0.00 0.00 0.00 0.00 23.12 23.15 3ddo s ALA 2217CO 0.00 -0.29 0.26 0.20 0.00 0.00 0.00 175.76 175.94 3ddo s GLY 2218N -1.60 2.23 -0.17 0.00 0.00 -0.64 -0.92 107.32 106.22 3ddo s GLY 2218Ca -0.11 -0.48 -0.29 0.00 0.00 0.00 0.00 44.72 43.84 3ddo s GLY 2218CO 0.01 0.14 1.19 0.14 0.00 0.00 0.00 173.10 174.58 3ddo s VAL 2219N -0.23 4.41 -0.74 1.40 1.01 -0.58 -1.60 120.40 124.08 3ddo s VAL 2219Ca 0.17 1.70 0.13 0.00 0.00 0.00 0.00 61.98 63.98 3ddo s VAL 2219Cb -0.13 -4.10 -0.10 0.00 0.00 0.00 0.00 36.38 32.04 3ddo s VAL 2219CO 0.05 -0.13 0.58 2.30 0.00 0.00 0.00 175.10 177.90 3ddo n ILE 2220N 5.26 0.00 -3.55 2.22 -5.35 -0.23 -0.94 119.36 116.78 3ddo n ILE 2220Ca 0.13 -0.24 -0.17 0.00 -0.27 0.00 0.00 62.75 62.19 3ddo n ILE 2220Cb 0.45 1.04 -0.06 0.00 -1.74 0.00 0.00 39.64 39.33 3ddo n ILE 2220CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3ddo s VAL 2221N -2.04 0.00 -0.30 7.28 0.11 -1.24 -4.74 120.40 119.46 3ddo s VAL 2221Ca 0.06 -0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.04 3ddo s VAL 2221Cb 0.10 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.96 3ddo s VAL 2221CO 0.47 -0.00 0.09 0.21 -3.33 0.00 0.00 175.10 172.53 3ddo s ASN 2222N -0.84 5.17 0.29 3.54 3.84 -1.26 -0.87 114.94 124.81 3ddo s ASN 2222Ca -0.09 -0.73 0.25 0.00 0.21 0.00 0.00 52.86 52.51 3ddo s ASN 2222Cb -0.01 -1.89 1.01 0.00 -0.55 0.00 0.00 41.25 39.81 3ddo s ASN 2222CO 0.08 -0.20 1.75 0.03 -2.79 0.00 0.00 177.10 175.96 3ddo h ARG 2223N 8.24 0.00 0.00 0.43 2.47 -0.64 -0.50 114.38 124.38 3ddo h ARG 2223Ca -0.31 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.41 3ddo h ARG 2223Cb 1.12 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.44 3ddo h ARG 2223CO 0.61 0.00 0.00 0.25 0.56 0.00 0.00 179.97 181.39 3ddo n THR 2224N -2.34 0.75 -0.01 2.04 -2.24 -1.26 -3.85 114.28 107.37 3ddo n THR 2224Ca 0.02 0.07 -0.01 0.00 -2.27 0.00 0.00 64.05 61.87 3ddo n THR 2224Cb 0.25 -0.97 -0.01 0.00 -2.10 0.00 0.00 70.33 67.50 3ddo n THR 2224CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ddo n GLN 2225N -2.21 3.24 -3.60 -0.78 6.02 -0.34 -5.09 117.38 114.62 3ddo n GLN 2225Ca 0.03 -0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.86 3ddo n GLN 2225Cb 0.29 -1.04 -0.07 0.00 1.02 0.00 0.00 30.24 30.44 3ddo n GLN 2225CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 3ddo s GLN 2226N -2.05 0.90 -0.27 -1.09 0.74 -0.38 -5.08 119.66 112.44 3ddo s GLN 2226Ca -0.01 0.64 -0.11 0.00 0.05 0.00 0.00 55.36 55.93 3ddo s GLN 2226Cb 0.01 0.43 -0.13 0.00 1.10 0.00 0.00 33.01 34.41 3ddo s GLN 2226CO 0.07 -0.19 -0.30 -1.91 -0.55 0.00 0.00 175.29 172.41 3ddo n GLU 2227N 1.94 0.60 -3.28 1.67 2.13 -1.26 -3.67 120.64 118.77 3ddo n GLU 2227Ca -0.16 0.25 -0.39 0.00 0.66 0.00 0.00 57.16 57.52 3ddo n GLU 2227Cb 0.56 -1.51 -0.07 0.00 0.27 0.00 0.00 31.44 30.69 3ddo n GLU 2227CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3ddo s ILE 2228N -2.51 5.13 0.00 6.31 1.01 -1.26 -5.00 121.20 124.88 3ddo s ILE 2228Ca -0.38 0.88 0.00 0.00 0.00 0.00 0.00 60.65 61.16 3ddo s ILE 2228Cb 0.13 -3.81 0.00 0.00 0.01 0.00 0.00 42.46 38.79 3ddo s ILE 2228CO 0.52 0.19 0.00 -2.65 0.00 0.00 0.00 174.94 173.00 3ddo n PRO 2229N 4.78 1.58 0.00 2.79 -0.02 -1.26 -5.05 135.00 137.81 3ddo n PRO 2229Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 3ddo n PRO 2229Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 3ddo n PRO 2229CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3ddo n THR 2237N -0.43 0.00 -3.37 3.45 -1.04 -1.26 -5.09 114.28 106.54 3ddo n THR 2237Ca 0.00 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.63 3ddo n THR 2237Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 3ddo n THR 2237CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3ddo s GLU 2238N 0.00 4.08 1.05 -2.82 0.41 -1.26 -5.07 118.70 115.09 3ddo s GLU 2238Ca 0.00 0.59 -0.12 0.00 -0.41 0.00 0.00 54.97 55.03 3ddo s GLU 2238Cb 0.00 -3.22 0.22 0.00 -1.78 0.00 0.00 34.13 29.35 3ddo s GLU 2238CO 0.00 0.66 1.07 -1.54 -0.49 0.00 0.00 175.26 174.95 3ddo s SER 2239N -1.12 2.00 0.23 -0.19 1.04 -1.26 -4.80 113.70 109.60 3ddo s SER 2239Ca 0.27 1.50 -0.06 0.00 0.48 0.00 0.00 55.95 58.14 3ddo s SER 2239Cb -0.18 -2.20 0.30 0.00 0.10 0.00 0.00 66.02 64.05 3ddo s SER 2239CO 0.17 -3.57 1.85 0.45 0.98 0.00 0.00 173.24 173.12 3ddo h HIS 2240N -2.19 0.94 -0.82 5.02 3.86 -1.94 -2.77 115.15 117.25 3ddo h HIS 2240Ca -0.56 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 58.70 3ddo h HIS 2240Cb 1.32 -0.30 -0.05 0.00 1.06 0.00 0.00 27.41 29.44 3ddo h HIS 2240CO 0.32 0.48 0.53 0.00 0.86 0.00 0.00 177.93 180.13 3ddo h ALA 2241N 1.39 1.06 -0.28 2.45 0.00 -1.91 -0.20 119.26 121.76 3ddo h ALA 2241Ca 0.35 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 3ddo h ALA 2241Cb 0.15 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3ddo h ALA 2241CO -0.16 0.39 -0.06 0.28 0.00 0.00 0.00 179.25 179.70 3ddo h VAL 2242N 1.06 1.28 -0.35 0.00 2.07 -1.86 -1.28 116.25 117.17 3ddo h VAL 2242Ca 0.31 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 3ddo h VAL 2242Cb -0.05 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3ddo h VAL 2242CO -0.09 0.34 0.18 0.11 0.02 0.00 0.00 177.57 178.13 3ddo h LYS 2243N 0.29 0.48 -0.38 1.57 1.57 -1.21 -2.53 116.57 116.35 3ddo h LYS 2243Ca 0.07 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.66 3ddo h LYS 2243Cb 0.53 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 3ddo h LYS 2243CO 0.03 0.37 -0.34 0.82 -0.57 0.00 0.00 179.45 179.75 3ddo h ILE 2244N 0.49 1.28 -0.24 1.86 2.04 -0.62 -1.97 117.51 120.34 3ddo h ILE 2244Ca 0.13 -1.51 -0.10 0.00 1.00 0.00 0.00 64.86 64.38 3ddo h ILE 2244Cb 0.04 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 3ddo h ILE 2244CO -0.02 0.51 -0.27 1.62 0.00 0.00 0.00 178.15 179.99 3ddo h VAL 2245N 0.72 1.27 -0.23 1.67 3.04 -0.84 0.14 116.25 122.02 3ddo h VAL 2245Ca 0.07 -1.30 -0.07 0.00 -1.01 0.00 0.00 66.70 64.38 3ddo h VAL 2245Cb 0.93 1.38 -0.01 0.00 -2.01 0.00 0.00 31.29 31.59 3ddo h VAL 2245CO 0.09 0.41 -0.14 0.58 -1.01 0.00 0.00 177.57 177.49 3ddo h VAL 2246N 0.41 1.31 -0.80 1.51 2.07 -1.43 -1.06 116.25 118.27 3ddo h VAL 2246Ca 0.06 -1.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.30 3ddo h VAL 2246Cb 0.69 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 32.06 3ddo h VAL 2246CO 0.05 0.39 0.41 -0.08 0.02 0.00 0.00 177.57 178.36 3ddo h GLU 2247N 0.20 1.13 -0.52 1.57 4.57 -1.13 -2.08 114.58 118.33 3ddo h GLU 2247Ca 0.05 -0.15 -0.05 0.00 -1.18 0.00 0.00 59.36 58.03 3ddo h GLU 2247Cb 0.66 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 29.02 3ddo h GLU 2247CO 0.04 0.85 0.11 0.00 -1.18 0.00 0.00 179.01 178.84 3ddo h ALA 2248N 1.32 0.69 -0.76 2.92 0.00 -0.60 -2.62 119.26 120.21 3ddo h ALA 2248Ca 0.28 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 55.08 3ddo h ALA 2248Cb 0.07 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 17.58 3ddo h ALA 2248CO -0.04 0.40 0.36 0.00 0.00 0.00 0.00 179.25 179.97 3ddo h ALA 2249N 1.00 1.08 -1.00 0.00 0.00 -0.76 -0.45 119.26 119.12 3ddo h ALA 2249Ca 0.16 0.08 0.16 0.00 0.00 0.00 0.00 54.91 55.32 3ddo h ALA 2249Cb 0.36 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.05 3ddo h ALA 2249CO 0.00 -0.10 0.62 0.00 0.00 0.00 0.00 179.25 179.77 3ddo h ARG 2250N 0.56 0.80 0.00 0.00 3.08 -1.01 -1.30 114.38 116.51 3ddo h ARG 2250Ca 0.40 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.40 3ddo h ARG 2250Cb 0.51 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3ddo h ARG 2250CO -0.33 0.53 0.00 0.54 -1.07 0.00 0.00 179.97 179.64 3ddo n ARG 2251N -4.69 0.13 0.00 0.04 1.74 -0.21 -3.62 116.66 110.04 3ddo n ARG 2251Ca 0.21 0.12 0.08 0.00 -0.77 0.00 0.00 57.85 57.49 3ddo n ARG 2251Cb 0.50 -1.65 0.01 0.00 -1.02 0.00 0.00 32.46 30.30 3ddo n ARG 2251CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3ddo n LEU 2252N -1.87 1.75 0.00 0.55 4.77 -0.52 -5.06 117.00 116.62 3ddo n LEU 2252Ca 0.06 -0.82 0.09 0.00 -0.03 0.00 0.00 56.01 55.31 3ddo n LEU 2252Cb 0.37 0.00 0.52 0.00 -2.33 0.00 0.00 43.42 41.99 3ddo n LEU 2252CO 0.28 0.33 0.73 0.18 -1.33 0.00 0.00 177.39 177.57