#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vw9 s PHE 2002N 0.00 2.86 -0.31 2.03 5.36 -1.26 -5.00 117.98 121.67 2vw9 s PHE 2002Ca 0.00 0.90 0.01 0.00 -0.96 0.00 0.00 56.93 56.88 2vw9 s PHE 2002Cb 0.00 -3.96 0.14 0.00 -0.34 0.00 0.00 43.02 38.86 2vw9 s PHE 2002CO 0.00 -3.17 0.32 1.21 -1.46 0.00 0.00 175.22 172.12 2vw9 s ASN 2003N 0.40 1.48 -0.01 6.13 3.04 -1.26 -5.14 114.94 119.57 2vw9 s ASN 2003Ca 0.61 -0.91 0.06 0.00 0.04 0.00 0.00 52.86 52.66 2vw9 s ASN 2003Cb -0.45 0.56 -0.02 0.00 -1.54 0.00 0.00 41.25 39.80 2vw9 s ASN 2003CO 0.47 -0.36 -0.21 -0.75 -3.04 0.00 0.00 177.10 173.21 2vw9 s LYS 2004N 2.17 1.68 -0.04 0.43 2.47 -1.26 -4.32 119.74 120.87 2vw9 s LYS 2004Ca 0.11 -0.76 0.01 0.00 -1.56 0.00 0.00 55.97 53.77 2vw9 s LYS 2004Cb -0.14 -1.63 0.02 0.00 -1.46 0.00 0.00 37.83 34.62 2vw9 s LYS 2004CO -0.26 0.45 -0.03 0.08 0.16 0.00 0.00 175.35 175.74 2vw9 s VAL 2005N -0.50 0.42 -0.09 4.02 1.01 0.05 -4.86 120.40 120.45 2vw9 s VAL 2005Ca 0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.00 2vw9 s VAL 2005Cb -0.08 -0.48 0.03 0.00 0.00 0.00 0.00 36.38 35.85 2vw9 s VAL 2005CO -0.01 0.20 -0.04 -0.63 0.00 0.00 0.00 175.10 174.63 2vw9 s ILE 2006N 0.99 0.72 -0.05 2.22 1.01 -1.26 -0.99 121.20 123.84 2vw9 s ILE 2006Ca -0.10 -0.10 -0.09 0.00 0.00 0.00 0.00 60.65 60.36 2vw9 s ILE 2006Cb -0.14 -0.80 0.02 0.00 0.01 0.00 0.00 42.46 41.54 2vw9 s ILE 2006CO -0.01 0.32 0.22 -0.32 0.00 0.00 0.00 174.94 175.15 2vw9 s MET 2007N 1.80 0.40 -0.16 2.79 -2.45 -0.55 -4.99 119.30 116.15 2vw9 s MET 2007Ca 0.05 0.04 -0.05 0.00 -1.25 0.00 0.00 55.69 54.47 2vw9 s MET 2007Cb -0.12 0.18 -0.03 0.00 1.25 0.00 0.00 34.83 36.10 2vw9 s MET 2007CO -0.07 -0.08 0.01 0.08 1.05 0.00 0.00 175.02 176.01 2vw9 s VAL 2008N -0.54 4.31 0.17 10.11 1.01 -1.26 -0.74 120.40 133.46 2vw9 s VAL 2008Ca -0.06 -0.21 -0.19 0.00 0.00 0.00 0.00 61.98 61.52 2vw9 s VAL 2008Cb -0.04 -2.91 0.04 0.00 0.00 0.00 0.00 36.38 33.47 2vw9 s VAL 2008CO 0.01 0.49 0.52 -0.83 0.00 0.00 0.00 175.10 175.29 2vw9 s GLY 2009N 0.28 -0.27 0.03 4.51 0.00 -0.47 -4.54 107.32 106.86 2vw9 s GLY 2009Ca -0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 44.72 44.66 2vw9 s GLY 2009CO 0.02 -0.17 0.26 0.50 0.00 0.00 0.00 173.10 173.71 2vw9 s ARG 2010N -3.83 3.54 0.20 2.90 0.52 0.43 -1.25 118.95 121.46 2vw9 s ARG 2010Ca 0.06 -0.17 -0.30 0.00 -0.52 0.00 0.00 55.73 54.80 2vw9 s ARG 2010Cb -0.00 -3.05 -0.08 0.00 0.52 0.00 0.00 34.95 32.33 2vw9 s ARG 2010CO -0.07 0.63 1.22 -0.51 0.02 0.00 0.00 175.30 176.58 2vw9 s LEU 2011N -2.01 4.45 0.00 2.53 1.02 0.10 -0.87 118.68 123.90 2vw9 s LEU 2011Ca 0.30 2.30 0.25 0.00 0.02 0.00 0.00 54.13 57.00 2vw9 s LEU 2011Cb -0.13 -3.61 0.48 0.00 0.02 0.00 0.00 46.19 42.95 2vw9 s LEU 2011CO 0.19 -0.40 1.40 0.35 0.02 0.00 0.00 176.35 177.91 2vw9 n THR 2012N 2.32 0.00 -3.85 5.49 -2.24 0.64 -1.02 114.28 115.62 2vw9 n THR 2012Ca 0.04 -0.23 -0.05 0.00 -2.27 0.00 0.00 64.05 61.55 2vw9 n THR 2012Cb 0.44 0.82 0.01 0.00 -2.10 0.00 0.00 70.33 69.50 2vw9 n THR 2012CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2vw9 s ARG 2013N -2.37 1.55 0.67 -0.78 1.70 -1.26 -4.90 118.95 113.55 2vw9 s ARG 2013Ca 0.25 -0.98 -0.11 0.00 -0.47 0.00 0.00 55.73 54.42 2vw9 s ARG 2013Cb 0.19 0.44 -0.01 0.00 -0.57 0.00 0.00 34.95 35.01 2vw9 s ARG 2013CO 0.49 -0.72 1.05 -0.80 -1.08 0.00 0.00 175.30 174.24 2vw9 s ASN 2014N -3.25 5.65 0.24 -2.89 0.01 -1.26 -3.64 114.94 109.80 2vw9 s ASN 2014Ca 0.19 1.54 -0.30 0.00 -0.71 0.00 0.00 52.86 53.58 2vw9 s ASN 2014Cb -0.03 -2.47 -0.09 0.00 0.41 0.00 0.00 41.25 39.06 2vw9 s ASN 2014CO 0.07 -1.26 1.31 -0.69 -1.51 0.00 0.00 177.10 175.02 2vw9 s VAL 2015N -3.10 3.05 -0.31 1.60 1.01 -1.26 -4.82 120.40 116.58 2vw9 s VAL 2015Ca 0.57 0.92 -0.03 0.00 0.00 0.00 0.00 61.98 63.44 2vw9 s VAL 2015Cb -0.13 -3.59 0.05 0.00 0.00 0.00 0.00 36.38 32.71 2vw9 s VAL 2015CO 0.55 0.16 0.03 -1.61 0.00 0.00 0.00 175.10 174.23 2vw9 s GLU 2016N -0.62 2.48 -0.04 2.72 2.02 -1.03 -5.00 118.70 119.23 2vw9 s GLU 2016Ca 0.54 -1.24 0.06 0.00 0.02 0.00 0.00 54.97 54.36 2vw9 s GLU 2016Cb -0.38 -3.26 -0.01 0.00 0.10 0.00 0.00 34.13 30.59 2vw9 s GLU 2016CO 0.42 -0.63 -0.24 -1.17 0.02 0.00 0.00 175.26 173.67 2vw9 s LEU 2017N 1.29 2.04 0.37 1.80 2.96 -1.26 -0.99 118.68 124.89 2vw9 s LEU 2017Ca -0.04 -0.46 0.06 0.00 -0.22 0.00 0.00 54.13 53.47 2vw9 s LEU 2017Cb -0.20 -1.26 -0.03 0.00 0.50 0.00 0.00 46.19 45.20 2vw9 s LEU 2017CO 0.00 0.25 0.23 -1.59 -1.32 0.00 0.00 176.35 173.92 2vw9 s LYS 2018N -0.30 1.86 0.01 1.98 -2.85 -0.59 -5.00 119.74 114.85 2vw9 s LYS 2018Ca 0.02 -2.11 0.05 0.00 -1.00 0.00 0.00 55.97 52.93 2vw9 s LYS 2018Cb -0.12 -0.03 -0.02 0.00 -2.06 0.00 0.00 37.83 35.61 2vw9 s LYS 2018CO 0.02 -0.61 -0.17 0.71 0.10 0.00 0.00 175.35 175.40 2vw9 s TYR 2019N -3.33 1.49 0.54 1.78 1.51 -1.26 -1.90 117.35 116.18 2vw9 s TYR 2019Ca 0.33 -0.31 -0.04 0.00 -1.01 0.00 0.00 57.07 56.04 2vw9 s TYR 2019Cb 0.02 -0.92 0.00 0.00 -0.11 0.00 0.00 41.96 40.95 2vw9 s TYR 2019CO 0.23 0.02 0.82 -0.51 -1.11 0.00 0.00 175.55 175.00 2vw9 s LEU 2020N -0.73 3.37 0.25 -1.29 1.43 -0.42 -4.94 118.68 116.36 2vw9 s LEU 2020Ca 0.05 0.57 -0.03 0.00 -1.03 0.00 0.00 54.13 53.70 2vw9 s LEU 2020Cb -0.07 -3.42 0.51 0.00 0.03 0.00 0.00 46.19 43.24 2vw9 s LEU 2020CO 0.00 -0.94 1.73 -0.65 0.23 0.00 0.00 176.35 176.72 2vw9 h PRO 2021N 0.02 0.44 -0.61 1.29 0.11 -2.01 0.34 132.00 131.57 2vw9 h PRO 2021Ca -0.46 -0.03 0.15 0.00 0.11 0.00 0.00 66.00 65.78 2vw9 h PRO 2021Cb 1.25 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 2vw9 h PRO 2021CO 0.59 0.29 0.43 0.66 -0.21 0.00 0.00 178.00 179.76 2vw9 h SER 2022N 0.45 0.12 0.00 -2.05 4.64 -2.05 -3.45 113.55 111.21 2vw9 h SER 2022Ca 0.44 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 2vw9 h SER 2022Cb 0.70 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 2vw9 h SER 2022CO -0.42 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 176.21 2vw9 n GLY 2023N -1.61 0.98 3.82 -0.77 0.00 0.12 -5.10 105.19 102.62 2vw9 n GLY 2023Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 2vw9 n GLY 2023CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vw9 s SER 2024N -1.88 7.03 0.68 1.61 1.04 -1.26 -4.68 113.70 116.24 2vw9 s SER 2024Ca 0.00 1.57 -0.13 0.00 0.48 0.00 0.00 55.95 57.87 2vw9 s SER 2024Cb 0.00 -2.48 0.00 0.00 0.10 0.00 0.00 66.02 63.64 2vw9 s SER 2024CO 0.00 -0.16 1.07 0.00 0.98 0.00 0.00 173.24 175.13 2vw9 s ALA 2025N -1.85 2.58 -0.21 5.32 0.00 -1.26 -1.30 121.76 125.05 2vw9 s ALA 2025Ca 0.53 0.27 -0.06 0.00 0.00 0.00 0.00 51.96 52.70 2vw9 s ALA 2025Cb -0.13 -3.23 0.10 0.00 0.00 0.00 0.00 23.12 19.86 2vw9 s ALA 2025CO 0.18 -1.23 0.41 0.00 0.00 0.00 0.00 175.76 175.13 2vw9 s ALA 2026N -2.76 -1.17 0.29 0.00 0.00 -0.80 -1.59 121.76 115.72 2vw9 s ALA 2026Ca 0.61 1.39 0.06 0.00 0.00 0.00 0.00 51.96 54.02 2vw9 s ALA 2026Cb -0.16 -1.41 -0.06 0.00 0.00 0.00 0.00 23.12 21.49 2vw9 s ALA 2026CO 0.48 -0.87 -0.03 0.00 0.00 0.00 0.00 175.76 175.34 2vw9 s ALA 2027N 2.61 2.34 -0.01 0.00 0.00 -0.54 -1.54 121.76 124.62 2vw9 s ALA 2027Ca 0.02 -1.93 0.01 0.00 0.00 0.00 0.00 51.96 50.05 2vw9 s ALA 2027Cb -0.13 0.28 0.01 0.00 0.00 0.00 0.00 23.12 23.27 2vw9 s ALA 2027CO -0.14 -0.12 -0.02 0.99 0.00 0.00 0.00 175.76 176.47 2vw9 s THR 2028N -3.07 0.20 0.10 0.00 2.01 -0.16 -0.76 115.64 113.95 2vw9 s THR 2028Ca 0.31 -0.06 0.06 0.00 0.31 0.00 0.00 61.69 62.30 2vw9 s THR 2028Cb 0.05 -0.20 -0.03 0.00 0.01 0.00 0.00 72.50 72.32 2vw9 s THR 2028CO 0.12 0.08 -0.14 0.27 -0.69 0.00 0.00 174.62 174.26 2vw9 s ILE 2029N 0.20 1.26 -0.15 1.82 -4.36 -0.79 -2.48 121.20 116.70 2vw9 s ILE 2029Ca -0.02 -1.54 -0.05 0.00 -0.26 0.00 0.00 60.65 58.78 2vw9 s ILE 2029Cb -0.04 -1.34 -0.04 0.00 1.25 0.00 0.00 42.46 42.29 2vw9 s ILE 2029CO -0.01 -0.32 0.03 -0.83 0.24 0.00 0.00 174.94 174.06 2vw9 s GLY 2030N -2.12 1.86 0.22 6.27 0.00 -1.26 -1.25 107.32 111.03 2vw9 s GLY 2030Ca 0.04 -0.77 0.10 0.00 0.00 0.00 0.00 44.72 44.09 2vw9 s GLY 2030CO 0.03 -0.14 -0.20 1.08 0.00 0.00 0.00 173.10 173.87 2vw9 s LEU 2031N 0.02 2.51 -0.02 0.66 1.43 0.59 -0.26 118.68 123.61 2vw9 s LEU 2031Ca 0.04 -0.95 0.00 0.00 -1.03 0.00 0.00 54.13 52.19 2vw9 s LEU 2031Cb -0.13 -0.98 0.03 0.00 0.03 0.00 0.00 46.19 45.14 2vw9 s LEU 2031CO 0.01 0.01 0.02 0.00 0.23 0.00 0.00 176.35 176.63 2vw9 s ALA 2032N -2.27 0.09 -0.03 4.21 0.00 -0.05 -1.99 121.76 121.72 2vw9 s ALA 2032Ca 0.23 0.26 -0.00 0.00 0.00 0.00 0.00 51.96 52.45 2vw9 s ALA 2032Cb -0.05 -0.23 0.03 0.00 0.00 0.00 0.00 23.12 22.87 2vw9 s ALA 2032CO 0.10 -0.09 0.02 -0.08 0.00 0.00 0.00 175.76 175.71 2vw9 s THR 2033N 0.95 0.05 0.16 0.00 -1.32 -0.91 -0.43 115.64 114.15 2vw9 s THR 2033Ca -0.08 0.18 0.07 0.00 -1.21 0.00 0.00 61.69 60.66 2vw9 s THR 2033Cb -0.12 -0.19 -0.04 0.00 -1.51 0.00 0.00 72.50 70.65 2vw9 s THR 2033CO -0.03 0.13 -0.02 -0.94 -2.21 0.00 0.00 174.62 171.56 2vw9 s SER 2034N 1.22 4.72 -0.04 8.08 1.04 -1.26 -0.97 113.70 126.49 2vw9 s SER 2034Ca -0.07 -0.40 0.03 0.00 0.48 0.00 0.00 55.95 55.99 2vw9 s SER 2034Cb -0.13 -0.99 0.00 0.00 0.10 0.00 0.00 66.02 65.00 2vw9 s SER 2034CO -0.03 0.10 -0.13 -0.60 0.98 0.00 0.00 173.24 173.56 2vw9 s ARG 2035N -2.85 1.42 -0.14 4.02 3.52 0.07 -4.98 118.95 120.01 2vw9 s ARG 2035Ca 0.27 -0.46 -0.07 0.00 -0.13 0.00 0.00 55.73 55.34 2vw9 s ARG 2035Cb -0.09 -1.25 -0.04 0.00 -1.56 0.00 0.00 34.95 32.00 2vw9 s ARG 2035CO 0.18 0.16 0.12 1.03 -0.81 0.00 0.00 175.30 175.99 2vw9 s ARG 2036N 0.17 3.59 -0.26 5.12 3.00 -1.26 -1.62 118.95 127.69 2vw9 s ARG 2036Ca -0.05 -0.18 -0.03 0.00 0.00 0.00 0.00 55.73 55.48 2vw9 s ARG 2036Cb -0.11 -3.21 0.11 0.00 0.00 0.00 0.00 34.95 31.74 2vw9 s ARG 2036CO 0.02 0.65 0.20 -0.59 0.00 0.00 0.00 175.30 175.57 2vw9 s PHE 2037N -0.66 -0.07 -1.32 -0.53 -0.71 -0.34 -4.99 117.98 109.36 2vw9 s PHE 2037Ca 0.13 -0.38 -0.09 0.00 -1.04 0.00 0.00 56.93 55.55 2vw9 s PHE 2037Cb -0.12 -0.63 0.13 0.00 -1.21 0.00 0.00 43.02 41.19 2vw9 s PHE 2037CO 0.02 -0.79 2.08 1.63 -1.34 0.00 0.00 175.22 176.83 2vw9 n LYS 2038N 5.29 3.79 -0.00 1.99 5.02 -1.26 0.19 118.16 133.17 2vw9 n LYS 2038Ca -0.05 -3.36 -0.00 0.00 -2.02 0.00 0.00 58.31 52.88 2vw9 n LYS 2038Cb 0.46 -2.88 -0.01 0.00 -0.02 0.00 0.00 35.03 32.58 2vw9 n LYS 2038CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2vw9 n LYS 2039N 3.53 2.41 -1.23 1.97 2.85 -1.22 -4.89 118.16 121.58 2vw9 n LYS 2039Ca 0.48 -0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 57.45 2vw9 n LYS 2039Cb 0.33 -1.02 0.18 0.00 -0.65 0.00 0.00 35.03 33.87 2vw9 n LYS 2039CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 2vw9 s GLN 2040N -2.04 0.30 -0.91 -1.58 -2.07 -1.21 -4.80 119.66 107.36 2vw9 s GLN 2040Ca -0.00 0.38 -0.26 0.00 -1.82 0.00 0.00 55.36 53.66 2vw9 s GLN 2040Cb 0.00 -1.73 -0.22 0.00 -1.09 0.00 0.00 33.01 29.97 2vw9 s GLN 2040CO 0.04 -2.79 2.53 -0.40 -1.32 0.00 0.00 175.29 173.35 2vw9 n ASP 2041N -4.19 0.35 0.00 12.60 5.75 -1.26 -3.36 116.55 126.44 2vw9 n ASP 2041Ca 0.06 -0.17 0.00 0.00 -0.01 0.00 0.00 54.79 54.67 2vw9 n ASP 2041Cb 0.58 -0.99 0.00 0.00 -1.03 0.00 0.00 41.12 39.68 2vw9 n ASP 2041CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2vw9 n GLY 2042N 6.24 2.17 0.00 6.12 0.00 -1.26 -4.98 105.19 113.48 2vw9 n GLY 2042Ca 0.61 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.39 2vw9 n GLY 2042CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2vw9 n THR 2043N 0.00 0.00 -3.54 2.61 5.66 -1.21 -4.85 114.28 112.94 2vw9 n THR 2043Ca 0.00 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.63 2vw9 n THR 2043Cb 0.00 -0.48 -0.07 0.00 -1.55 0.00 0.00 70.33 68.23 2vw9 n THR 2043CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 2vw9 s LEU 2044N 0.00 4.31 0.39 1.09 2.96 -1.26 -3.33 118.68 122.84 2vw9 s LEU 2044Ca 0.00 0.63 0.08 0.00 -0.22 0.00 0.00 54.13 54.61 2vw9 s LEU 2044Cb 0.00 -2.42 -0.07 0.00 0.50 0.00 0.00 46.19 44.20 2vw9 s LEU 2044CO 0.00 0.17 0.01 -0.83 -1.32 0.00 0.00 176.35 174.38 2vw9 s GLY 2045N 0.02 2.40 -0.10 7.98 0.00 0.50 -4.91 107.32 113.21 2vw9 s GLY 2045Ca 0.19 -2.22 -0.04 0.00 0.00 0.00 0.00 44.72 42.64 2vw9 s GLY 2045CO 0.06 -2.05 0.22 1.85 0.00 0.00 0.00 173.10 173.18 2vw9 s GLU 2046N -3.71 0.15 -0.03 2.90 2.56 -1.26 -1.20 118.70 118.11 2vw9 s GLU 2046Ca 0.35 0.56 0.07 0.00 0.00 0.00 0.00 54.97 55.95 2vw9 s GLU 2046Cb 0.07 -0.13 -0.02 0.00 2.00 0.00 0.00 34.13 36.05 2vw9 s GLU 2046CO 0.18 -0.21 -0.24 -1.83 -0.56 0.00 0.00 175.26 172.61 2vw9 s GLU 2047N 1.65 2.06 -0.12 4.30 -1.05 -0.64 -4.97 118.70 119.93 2vw9 s GLU 2047Ca -0.05 -0.85 0.03 0.00 -0.15 0.00 0.00 54.97 53.94 2vw9 s GLU 2047Cb -0.11 -1.92 0.00 0.00 -0.44 0.00 0.00 34.13 31.66 2vw9 s GLU 2047CO -0.08 0.47 -0.21 0.08 0.95 0.00 0.00 175.26 176.47 2vw9 s VAL 2048N -0.44 2.22 -0.25 1.83 1.01 -1.26 -0.75 120.40 122.76 2vw9 s VAL 2048Ca 0.06 -0.95 -0.10 0.00 0.00 0.00 0.00 61.98 60.99 2vw9 s VAL 2048Cb -0.10 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.35 2vw9 s VAL 2048CO 0.00 0.55 0.15 0.00 0.00 0.00 0.00 175.10 175.80 2vw9 s PHE 2050N 1.36 3.38 -0.08 0.00 0.40 -1.26 -2.14 117.98 119.63 2vw9 s PHE 2050Ca 0.07 0.28 -0.30 0.00 -0.60 0.00 0.00 56.93 56.38 2vw9 s PHE 2050Cb -0.15 -2.02 0.10 0.00 0.51 0.00 0.00 43.02 41.46 2vw9 s PHE 2050CO 0.06 0.40 0.83 -1.50 0.70 0.00 0.00 175.22 175.71 2vw9 s ILE 2051N -0.21 0.00 0.08 0.64 2.07 -0.84 -5.00 121.20 117.94 2vw9 s ILE 2051Ca 0.09 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.28 2vw9 s ILE 2051Cb -0.12 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.42 2vw9 s ILE 2051CO 0.01 0.00 0.32 -1.81 -1.91 0.00 0.00 174.94 171.55 2vw9 s ASP 2052N -1.31 6.48 -0.05 4.50 1.11 -1.26 -0.30 116.67 125.85 2vw9 s ASP 2052Ca -0.05 0.54 0.05 0.00 0.18 0.00 0.00 52.55 53.27 2vw9 s ASP 2052Cb -0.00 -2.07 -0.01 0.00 1.07 0.00 0.00 42.92 41.91 2vw9 s ASP 2052CO 0.04 0.14 -0.20 0.00 1.18 0.00 0.00 175.17 176.33 2vw9 s ALA 2053N -1.50 1.77 -0.07 5.23 0.00 -0.38 -1.25 121.76 125.55 2vw9 s ALA 2053Ca 0.35 -0.84 -0.19 0.00 0.00 0.00 0.00 51.96 51.29 2vw9 s ALA 2053Cb -0.13 -0.56 -0.05 0.00 0.00 0.00 0.00 23.12 22.39 2vw9 s ALA 2053CO 0.22 0.34 0.52 1.03 0.00 0.00 0.00 175.76 177.87 2vw9 s ARG 2054N -0.07 4.30 0.12 0.00 1.81 0.23 -1.88 118.95 123.45 2vw9 s ARG 2054Ca -0.03 0.55 0.10 0.00 -1.72 0.00 0.00 55.73 54.63 2vw9 s ARG 2054Cb -0.12 -3.39 -0.04 0.00 -0.45 0.00 0.00 34.95 30.95 2vw9 s ARG 2054CO 0.03 0.26 -0.25 -0.51 -0.68 0.00 0.00 175.30 174.14 2vw9 s LEU 2055N 0.26 2.30 0.18 2.53 1.02 0.06 -1.23 118.68 123.81 2vw9 s LEU 2055Ca 0.28 -0.72 0.01 0.00 0.02 0.00 0.00 54.13 53.72 2vw9 s LEU 2055Cb -0.16 -1.14 -0.05 0.00 0.02 0.00 0.00 46.19 44.86 2vw9 s LEU 2055CO 0.13 0.16 0.03 -0.36 0.02 0.00 0.00 176.35 176.33 2vw9 s PHE 2056N -1.06 1.22 0.00 0.29 0.40 -1.26 -1.46 117.98 116.10 2vw9 s PHE 2056Ca 0.12 -1.09 0.00 0.00 -0.60 0.00 0.00 56.93 55.36 2vw9 s PHE 2056Cb -0.10 -0.69 0.00 0.00 0.51 0.00 0.00 43.02 42.74 2vw9 s PHE 2056CO 0.05 -0.29 0.00 0.41 0.70 0.00 0.00 175.22 176.09 2vw9 n GLY 2057N -0.26 1.84 0.28 4.36 0.00 -0.62 -2.19 105.19 108.59 2vw9 n GLY 2057Ca -0.05 -0.32 0.14 0.00 0.00 0.00 0.00 46.02 45.79 2vw9 n GLY 2057CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2vw9 h ARG 2058N 0.00 0.00 -0.39 1.61 9.65 -1.99 -2.28 114.38 120.97 2vw9 h ARG 2058Ca 0.00 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.84 2vw9 h ARG 2058Cb 0.00 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.56 2vw9 h ARG 2058CO 0.00 0.09 0.08 1.15 2.80 0.00 0.00 179.97 184.09 2vw9 h THR 2059N 0.00 1.23 -0.79 0.20 2.02 -1.81 -0.77 112.91 113.00 2vw9 h THR 2059Ca -0.00 -0.81 -0.01 0.00 0.77 0.00 0.00 66.41 66.36 2vw9 h THR 2059Cb 0.27 1.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.65 2vw9 h THR 2059CO 0.01 0.28 0.44 0.00 0.37 0.00 0.00 175.52 176.63 2vw9 h ALA 2060N 0.94 1.30 -0.16 6.16 0.00 -1.01 -0.32 119.26 126.17 2vw9 h ALA 2060Ca 0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2vw9 h ALA 2060Cb 0.33 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2vw9 h ALA 2060CO 0.00 0.58 0.02 0.93 0.00 0.00 0.00 179.25 180.78 2vw9 h GLU 2061N 1.09 0.27 -0.93 0.00 5.08 -1.30 -0.09 114.58 118.70 2vw9 h GLU 2061Ca 0.28 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2vw9 h GLU 2061Cb 0.00 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 2vw9 h GLU 2061CO -0.05 0.47 0.57 0.82 -1.00 0.00 0.00 179.01 179.82 2vw9 h ILE 2062N 0.04 1.25 -0.51 3.13 2.04 -0.91 0.48 117.51 123.03 2vw9 h ILE 2062Ca 0.05 -0.53 -0.03 0.00 1.00 0.00 0.00 64.86 65.35 2vw9 h ILE 2062Cb 0.34 -0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.32 2vw9 h ILE 2062CO 0.01 0.26 0.20 0.00 0.00 0.00 0.00 178.15 178.61 2vw9 h ALA 2063N 1.35 0.67 -0.67 1.87 0.00 -0.87 -1.71 119.26 119.91 2vw9 h ALA 2063Ca 0.34 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 2vw9 h ALA 2063Cb -0.08 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2vw9 h ALA 2063CO -0.07 0.29 0.10 -0.97 0.00 0.00 0.00 179.25 178.60 2vw9 h ASN 2064N 0.69 1.07 0.75 0.00 -0.00 -0.20 -0.47 115.58 117.43 2vw9 h ASN 2064Ca 0.17 -0.26 -0.21 0.00 -0.00 0.00 0.00 56.30 56.00 2vw9 h ASN 2064Cb 0.22 -0.28 -0.02 0.00 -0.00 0.00 0.00 38.32 38.24 2vw9 h ASN 2064CO -0.01 1.06 -0.96 0.06 -0.00 0.00 0.00 177.43 177.58 2vw9 h GLN 2065N 1.04 0.12 0.00 6.67 3.07 -0.84 -3.39 115.11 121.78 2vw9 h GLN 2065Ca 0.20 -0.16 0.00 0.00 0.09 0.00 0.00 58.65 58.78 2vw9 h GLN 2065Cb 0.46 0.05 0.00 0.00 0.08 0.00 0.00 27.48 28.07 2vw9 h GLN 2065CO 0.01 0.99 -0.80 0.66 0.09 0.00 0.00 178.83 179.79 2vw9 n TYR 2066N -3.54 0.00 -4.19 0.06 4.02 -0.65 -5.03 117.16 107.83 2vw9 n TYR 2066Ca -0.03 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.60 2vw9 n TYR 2066Cb 0.88 -0.06 -0.07 0.00 -0.02 0.00 0.00 39.34 40.06 2vw9 n TYR 2066CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2vw9 s LEU 2067N -2.86 3.40 0.30 7.72 1.43 -0.19 -5.06 118.68 123.42 2vw9 s LEU 2067Ca 0.03 -0.37 -0.19 0.00 -1.03 0.00 0.00 54.13 52.56 2vw9 s LEU 2067Cb 0.09 -2.03 0.02 0.00 0.03 0.00 0.00 46.19 44.31 2vw9 s LEU 2067CO 0.52 0.07 0.71 -0.94 0.23 0.00 0.00 176.35 176.93 2vw9 s SER 2068N -3.09 -0.18 0.12 2.29 1.04 -1.26 -4.57 113.70 108.04 2vw9 s SER 2068Ca 0.29 -0.75 -0.35 0.00 0.48 0.00 0.00 55.95 55.62 2vw9 s SER 2068Cb -0.09 0.74 -0.17 0.00 0.10 0.00 0.00 66.02 66.60 2vw9 s SER 2068CO 0.20 -1.39 1.12 1.17 0.98 0.00 0.00 173.24 175.31 2vw9 n LYS 2069N -0.47 0.80 0.00 4.02 4.81 -1.24 -1.16 118.16 124.92 2vw9 n LYS 2069Ca -0.05 0.29 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 2vw9 n LYS 2069Cb 0.59 -1.77 0.00 0.00 0.02 0.00 0.00 35.03 33.88 2vw9 n LYS 2069CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2vw9 n GLY 2070N 2.01 3.23 3.75 3.14 0.00 -0.19 -4.94 105.19 112.19 2vw9 n GLY 2070Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 2vw9 n GLY 2070CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2vw9 s SER 2071N -0.72 5.19 -0.14 1.61 0.01 -0.31 -4.52 113.70 114.83 2vw9 s SER 2071Ca 0.00 2.75 -0.06 0.00 1.31 0.00 0.00 55.95 59.96 2vw9 s SER 2071Cb 0.00 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 63.56 2vw9 s SER 2071CO 0.00 -1.62 0.06 -0.55 0.41 0.00 0.00 173.24 171.54 2vw9 s SER 2072N -1.00 5.69 0.05 2.44 0.15 -1.26 -0.72 113.70 119.05 2vw9 s SER 2072Ca 0.73 0.20 -0.11 0.00 0.70 0.00 0.00 55.95 57.47 2vw9 s SER 2072Cb -0.40 -1.84 0.01 0.00 -1.71 0.00 0.00 66.02 62.08 2vw9 s SER 2072CO 0.47 0.30 0.24 0.68 1.20 0.00 0.00 173.24 176.13 2vw9 s VAL 2073N -0.38 0.10 -0.19 4.45 -7.23 -0.38 -3.73 120.40 113.05 2vw9 s VAL 2073Ca 0.09 -0.86 -0.04 0.00 -1.81 0.00 0.00 61.98 59.36 2vw9 s VAL 2073Cb -0.12 -1.01 -0.02 0.00 0.56 0.00 0.00 36.38 35.79 2vw9 s VAL 2073CO 0.02 -0.48 -0.03 -0.22 -0.31 0.00 0.00 175.10 174.09 2vw9 s LEU 2074N -2.26 3.14 0.09 1.32 1.98 0.18 -1.37 118.68 121.76 2vw9 s LEU 2074Ca -0.03 -0.24 0.09 0.00 -2.89 0.00 0.00 54.13 51.06 2vw9 s LEU 2074Cb 0.00 -1.78 -0.03 0.00 0.66 0.00 0.00 46.19 45.04 2vw9 s LEU 2074CO -0.05 0.08 -0.22 0.27 -1.89 0.00 0.00 176.35 174.53 2vw9 s ILE 2075N 0.92 1.84 -0.00 6.68 -4.36 0.08 -0.65 121.20 125.70 2vw9 s ILE 2075Ca 0.00 -1.47 0.08 0.00 -0.26 0.00 0.00 60.65 59.00 2vw9 s ILE 2075Cb -0.14 -1.63 -0.02 0.00 1.25 0.00 0.00 42.46 41.91 2vw9 s ILE 2075CO 0.01 0.08 -0.23 -1.61 0.24 0.00 0.00 174.94 173.43 2vw9 s GLU 2076N -1.66 1.82 0.00 0.37 2.02 -0.82 -1.48 118.70 118.94 2vw9 s GLU 2076Ca 0.09 -0.89 0.00 0.00 0.02 0.00 0.00 54.97 54.19 2vw9 s GLU 2076Cb -0.10 -1.81 0.00 0.00 0.10 0.00 0.00 34.13 32.32 2vw9 s GLU 2076CO 0.04 0.49 0.00 0.41 0.02 0.00 0.00 175.26 176.22 2vw9 n GLY 2077N 2.32 -0.90 3.18 -1.39 0.00 -0.16 0.34 105.19 108.58 2vw9 n GLY 2077Ca -0.16 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 2vw9 n GLY 2077CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2vw9 s ARG 2078N -0.37 0.94 0.03 1.61 1.70 -0.38 -0.77 118.95 121.72 2vw9 s ARG 2078Ca 0.00 -1.43 -0.26 0.00 -0.47 0.00 0.00 55.73 53.57 2vw9 s ARG 2078Cb 0.00 -0.07 -0.05 0.00 -0.57 0.00 0.00 34.95 34.26 2vw9 s ARG 2078CO 0.00 -0.14 0.82 -1.17 -1.08 0.00 0.00 175.30 173.74 2vw9 s LEU 2079N -3.08 4.42 -0.06 -1.89 2.96 -1.26 -0.60 118.68 119.17 2vw9 s LEU 2079Ca 0.19 1.50 0.06 0.00 -0.22 0.00 0.00 54.13 55.66 2vw9 s LEU 2079Cb 0.06 -3.32 -0.01 0.00 0.50 0.00 0.00 46.19 43.42 2vw9 s LEU 2079CO -0.00 -0.06 -0.24 -0.89 -1.32 0.00 0.00 176.35 173.83 2vw9 s THR 2080N 0.26 1.98 -0.39 3.68 2.01 0.21 -4.88 115.64 118.52 2vw9 s THR 2080Ca 0.42 -1.03 -0.08 0.00 0.31 0.00 0.00 61.69 61.31 2vw9 s THR 2080Cb -0.21 -1.68 0.07 0.00 0.01 0.00 0.00 72.50 70.69 2vw9 s THR 2080CO 0.24 0.55 0.20 -0.47 -0.69 0.00 0.00 174.62 174.45 2vw9 s TYR 2081N -0.15 3.33 -0.13 4.92 5.04 -1.26 -0.43 117.35 128.67 2vw9 s TYR 2081Ca -0.03 -1.55 -0.10 0.00 -2.44 0.00 0.00 57.07 52.95 2vw9 s TYR 2081Cb -0.13 -2.73 -0.05 0.00 0.35 0.00 0.00 41.96 39.40 2vw9 s TYR 2081CO 0.03 -0.81 0.19 -1.21 -1.34 0.00 0.00 175.55 172.41 2vw9 s GLU 2082N 1.40 3.81 0.08 4.97 2.02 0.25 -4.92 118.70 126.31 2vw9 s GLU 2082Ca 0.02 -0.06 0.02 0.00 0.02 0.00 0.00 54.97 54.97 2vw9 s GLU 2082Cb -0.22 -3.29 -0.03 0.00 0.10 0.00 0.00 34.13 30.69 2vw9 s GLU 2082CO 0.02 0.57 -0.07 -1.54 0.02 0.00 0.00 175.26 174.25 2vw9 s SER 2083N -0.46 1.06 0.08 -0.19 1.04 -1.26 0.50 113.70 114.47 2vw9 s SER 2083Ca 0.14 -0.82 -0.25 0.00 0.48 0.00 0.00 55.95 55.50 2vw9 s SER 2083Cb -0.12 0.07 0.09 0.00 0.10 0.00 0.00 66.02 66.15 2vw9 s SER 2083CO 0.04 -0.35 1.16 -1.66 0.98 0.00 0.00 173.24 173.41 2vw9 s TRP 2084N -2.68 0.04 0.12 5.02 -2.14 -0.52 -4.98 118.94 113.80 2vw9 s TRP 2084Ca 0.03 -0.30 0.08 0.00 2.66 0.00 0.00 56.10 58.57 2vw9 s TRP 2084Cb -0.01 0.63 -0.04 0.00 -3.10 0.00 0.00 33.47 30.95 2vw9 s TRP 2084CO -0.02 -0.60 -0.12 -1.64 -2.66 0.00 0.00 176.95 171.90 2vw9 s MET 2085N -2.12 2.01 1.05 3.25 -1.94 -1.26 0.23 119.30 120.51 2vw9 s MET 2085Ca 0.25 -1.11 -0.13 0.00 -1.71 0.00 0.00 55.69 52.99 2vw9 s MET 2085Cb -0.01 -2.23 0.22 0.00 2.01 0.00 0.00 34.83 34.82 2vw9 s MET 2085CO 0.02 0.49 1.08 0.34 -0.01 0.00 0.00 175.02 176.94 2vw9 s ASP 2086N -2.30 2.15 0.51 3.03 2.15 0.12 -4.87 116.67 117.46 2vw9 s ASP 2086Ca 0.21 1.20 0.30 0.00 0.43 0.00 0.00 52.55 54.69 2vw9 s ASP 2086Cb -0.11 -1.89 1.13 0.00 -0.30 0.00 0.00 42.92 41.76 2vw9 s ASP 2086CO 0.13 -3.43 1.90 1.56 -0.17 0.00 0.00 175.17 175.16 2vw9 h GLN 2087N -2.10 0.00 -0.77 4.34 7.50 -2.01 -2.39 115.11 119.69 2vw9 h GLN 2087Ca -0.56 0.00 -0.14 0.00 0.50 0.00 0.00 58.65 58.44 2vw9 h GLN 2087Cb 1.34 0.00 -0.09 0.00 0.05 0.00 0.00 27.48 28.78 2vw9 h GLN 2087CO 0.56 0.06 0.18 0.25 -1.50 0.00 0.00 178.83 178.39 2vw9 n THR 2088N -3.17 2.48 -0.73 -0.54 -2.24 -1.26 -4.92 114.28 103.89 2vw9 n THR 2088Ca 0.01 -1.31 0.00 0.00 -2.27 0.00 0.00 64.05 60.48 2vw9 n THR 2088Cb 0.36 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 2vw9 n THR 2088CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2vw9 n GLY 2089N 0.06 0.36 3.62 3.38 0.00 -0.90 -4.97 105.19 106.74 2vw9 n GLY 2089Ca 0.32 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.91 2vw9 n GLY 2089CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2vw9 s LYS 2090N -0.69 3.67 0.04 1.61 2.47 -1.26 -4.54 119.74 121.04 2vw9 s LYS 2090Ca 0.00 1.43 -0.30 0.00 -1.56 0.00 0.00 55.97 55.53 2vw9 s LYS 2090Cb 0.00 -4.05 -0.05 0.00 -1.46 0.00 0.00 37.83 32.26 2vw9 s LYS 2090CO 0.00 -1.45 1.22 -1.59 0.16 0.00 0.00 175.35 173.69 2vw9 s LYS 2091N 4.88 4.41 0.35 4.03 0.00 -1.26 0.13 119.74 132.28 2vw9 s LYS 2091Ca 0.70 1.78 0.08 0.00 0.00 0.00 0.00 55.97 58.53 2vw9 s LYS 2091Cb -0.21 -3.38 -0.04 0.00 0.00 0.00 0.00 37.83 34.19 2vw9 s LYS 2091CO 0.30 -0.31 0.17 -0.80 0.00 0.00 0.00 175.35 174.72 2vw9 s ASN 2092N 1.16 4.73 0.21 0.03 -0.87 0.62 -4.95 114.94 115.87 2vw9 s ASN 2092Ca 0.59 -0.77 -0.06 0.00 -1.57 0.00 0.00 52.86 51.05 2vw9 s ASN 2092Cb -0.29 -0.72 -0.02 0.00 -0.02 0.00 0.00 41.25 40.19 2vw9 s ASN 2092CO 0.28 -0.34 0.26 -0.94 -2.57 0.00 0.00 177.10 173.79 2vw9 s SER 2093N -3.88 0.07 -0.24 -1.22 1.04 -1.26 -1.44 113.70 106.77 2vw9 s SER 2093Ca 0.39 -1.16 -0.29 0.00 0.48 0.00 0.00 55.95 55.37 2vw9 s SER 2093Cb -0.02 0.45 0.16 0.00 0.10 0.00 0.00 66.02 66.71 2vw9 s SER 2093CO 0.23 -0.94 1.20 -0.60 0.98 0.00 0.00 173.24 174.12 2vw9 s ARG 2094N -4.08 0.30 -0.11 4.02 3.52 0.18 -4.93 118.95 117.84 2vw9 s ARG 2094Ca 0.30 0.11 -0.01 0.00 -0.13 0.00 0.00 55.73 56.00 2vw9 s ARG 2094Cb 0.04 0.14 -0.03 0.00 -1.56 0.00 0.00 34.95 33.55 2vw9 s ARG 2094CO 0.09 -0.09 -0.07 -1.01 -0.81 0.00 0.00 175.30 173.41 2vw9 s HIS 2095N -0.87 2.95 0.25 5.12 3.76 -1.26 0.87 115.29 126.11 2vw9 s HIS 2095Ca 0.04 -0.21 0.02 0.00 -0.15 0.00 0.00 55.06 54.76 2vw9 s HIS 2095Cb -0.01 -1.83 -0.04 0.00 1.11 0.00 0.00 32.58 31.81 2vw9 s HIS 2095CO -0.05 0.10 0.20 0.95 -0.85 0.00 0.00 174.74 175.09 2vw9 s THR 2096N -0.15 0.00 -0.13 1.30 -4.23 0.43 -4.66 115.64 108.19 2vw9 s THR 2096Ca 0.02 -1.99 -0.02 0.00 -1.18 0.00 0.00 61.69 58.51 2vw9 s THR 2096Cb -0.13 -2.50 -0.03 0.00 1.34 0.00 0.00 72.50 71.18 2vw9 s THR 2096CO 0.03 0.00 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.43 2vw9 s ILE 2097N -3.86 3.78 -0.42 2.99 1.01 -0.38 0.64 121.20 124.96 2vw9 s ILE 2097Ca 0.40 -0.41 -0.14 0.00 0.00 0.00 0.00 60.65 60.50 2vw9 s ILE 2097Cb 0.05 -2.63 0.04 0.00 0.01 0.00 0.00 42.46 39.93 2vw9 s ILE 2097CO 0.19 0.52 0.30 -0.89 0.00 0.00 0.00 174.94 175.05 2vw9 s THR 2098N 0.11 5.00 0.20 2.92 2.01 0.23 0.77 115.64 126.88 2vw9 s THR 2098Ca -0.02 -0.87 -0.30 0.00 0.31 0.00 0.00 61.69 60.81 2vw9 s THR 2098Cb -0.14 -3.86 -0.08 0.00 0.01 0.00 0.00 72.50 68.43 2vw9 s THR 2098CO 0.03 -0.38 1.01 0.00 -0.69 0.00 0.00 174.62 174.59 2vw9 s ALA 2099N 1.62 3.33 -0.16 7.40 0.00 -0.36 -1.24 121.76 132.35 2vw9 s ALA 2099Ca 0.04 0.70 -0.02 0.00 0.00 0.00 0.00 51.96 52.67 2vw9 s ALA 2099Cb -0.21 -3.28 -0.23 0.00 0.00 0.00 0.00 23.12 19.40 2vw9 s ALA 2099CO 0.08 -0.00 0.21 -0.25 0.00 0.00 0.00 175.76 175.80 2vw9 n ASP 2100N 1.98 1.93 -4.15 0.00 8.00 0.15 -4.62 116.55 119.84 2vw9 n ASP 2100Ca 0.00 0.12 -0.11 0.00 0.71 0.00 0.00 54.79 55.51 2vw9 n ASP 2100Cb 0.47 -0.62 -0.09 0.00 -0.02 0.00 0.00 41.12 40.86 2vw9 n ASP 2100CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2vw9 s SER 2101N -6.78 0.10 -0.02 -2.24 1.04 -0.96 -4.96 113.70 99.88 2vw9 s SER 2101Ca -0.24 -1.27 -0.02 0.00 0.48 0.00 0.00 55.95 54.90 2vw9 s SER 2101Cb 0.07 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.62 2vw9 s SER 2101CO 0.73 -0.90 0.06 -0.22 0.98 0.00 0.00 173.24 173.88 2vw9 s LEU 2102N -3.12 1.79 -0.05 2.42 1.98 -1.26 -1.95 118.68 118.49 2vw9 s LEU 2102Ca 0.34 0.09 -0.02 0.00 -2.89 0.00 0.00 54.13 51.65 2vw9 s LEU 2102Cb 0.05 0.21 0.03 0.00 0.66 0.00 0.00 46.19 47.14 2vw9 s LEU 2102CO 0.11 -0.03 0.05 -1.10 -1.89 0.00 0.00 176.35 173.49 2vw9 s GLN 2103N -0.04 0.01 -0.14 1.98 1.11 0.17 -4.98 119.66 117.77 2vw9 s GLN 2103Ca -0.01 0.32 -0.03 0.00 0.01 0.00 0.00 55.36 55.65 2vw9 s GLN 2103Cb -0.01 -0.64 -0.03 0.00 -1.01 0.00 0.00 33.01 31.32 2vw9 s GLN 2103CO 0.00 -0.35 -0.03 -0.59 0.01 0.00 0.00 175.29 174.34 2vw9 s PHE 2104N 2.14 3.05 -1.77 0.91 -0.12 -1.26 0.52 117.98 121.45 2vw9 s PHE 2104Ca 0.05 -0.18 0.28 0.00 -0.05 0.00 0.00 56.93 57.02 2vw9 s PHE 2104Cb -0.12 -1.92 1.02 0.00 -0.63 0.00 0.00 43.02 41.36 2vw9 s PHE 2104CO -0.04 0.08 1.73 0.00 -0.05 0.00 0.00 175.22 176.94 2vw9 n MET 2105N 3.23 0.84 0.00 1.99 0.00 -1.24 -5.01 117.12 116.93 2vw9 n MET 2105Ca -0.18 -0.41 0.00 0.00 0.00 0.00 0.00 57.70 57.12 2vw9 n MET 2105Cb 0.53 -1.49 0.00 0.00 0.00 0.00 0.00 33.22 32.25 2vw9 n MET 2105CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50