#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rj3 h ASP 2005N 0.00 0.62 -2.00 -3.46 3.32 -1.63 -3.47 116.42 109.79 2rj3 h ASP 2005Ca 0.00 -0.53 -0.53 0.00 0.02 0.00 0.00 57.03 55.98 2rj3 h ASP 2005Cb 0.00 -0.19 -0.07 0.00 0.22 0.00 0.00 39.33 39.29 2rj3 h ASP 2005CO 0.00 1.35 -0.55 0.68 -1.72 0.00 0.00 179.24 179.00 2rj3 s VAL 2006N -3.13 3.42 0.07 -1.35 -7.23 -1.21 -5.07 120.40 105.89 2rj3 s VAL 2006Ca -0.07 -1.66 -0.11 0.00 -1.81 0.00 0.00 61.98 58.33 2rj3 s VAL 2006Cb 0.08 -3.04 -0.28 0.00 0.56 0.00 0.00 36.38 33.70 2rj3 s VAL 2006CO 0.89 -0.26 1.13 0.15 -0.31 0.00 0.00 175.10 176.70 2rj3 h PHE 2007N 1.58 0.85 0.00 2.82 3.57 -1.94 -3.39 116.94 120.43 2rj3 h PHE 2007Ca -0.45 -0.55 -0.30 0.00 3.53 0.00 0.00 57.97 60.20 2rj3 h PHE 2007Cb 1.25 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.88 2rj3 h PHE 2007CO 0.62 1.40 -2.02 0.72 -2.23 0.00 0.00 178.31 176.79 2rj3 n HIS 2008N -3.72 0.00 0.29 0.41 8.25 -1.26 -4.72 115.22 114.47 2rj3 n HIS 2008Ca -0.12 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.51 2rj3 n HIS 2008Cb 0.99 -0.66 0.69 0.00 1.12 0.00 0.00 29.99 32.12 2rj3 n HIS 2008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2rj3 h LEU 2009N -0.55 0.00 -1.30 2.41 4.07 -1.93 -3.45 115.31 114.57 2rj3 h LEU 2009Ca -0.46 0.00 -0.28 0.00 0.08 0.00 0.00 57.88 57.22 2rj3 h LEU 2009Cb 1.44 0.00 0.12 0.00 1.08 0.00 0.00 40.66 43.30 2rj3 h LEU 2009CO -0.25 0.00 -0.56 0.61 -1.08 0.00 0.00 178.44 177.16 2rj3 n GLY 2010N -0.02 -0.19 3.28 0.83 0.00 -1.26 -4.70 105.19 103.13 2rj3 n GLY 2010Ca 0.01 0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 2rj3 n GLY 2010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rj3 s LEU 2011N -5.64 2.48 0.38 0.99 1.43 -1.26 -4.82 118.68 112.24 2rj3 s LEU 2011Ca 0.23 -0.92 0.08 0.00 -1.03 0.00 0.00 54.13 52.50 2rj3 s LEU 2011Cb -0.10 -0.56 -0.06 0.00 0.03 0.00 0.00 46.19 45.49 2rj3 s LEU 2011CO 0.56 -0.18 0.05 0.42 0.23 0.00 0.00 176.35 177.43 2rj3 s THR 2012N -2.62 2.31 0.19 5.49 -4.23 -1.26 -1.47 115.64 114.05 2rj3 s THR 2012Ca 0.15 -1.92 -0.12 0.00 -1.18 0.00 0.00 61.69 58.61 2rj3 s THR 2012Cb -0.02 -2.90 0.10 0.00 1.34 0.00 0.00 72.50 71.01 2rj3 s THR 2012CO 0.04 -0.08 1.77 0.50 -0.54 0.00 0.00 174.62 176.30 2rj3 h LYS 2013N 1.71 0.44 -0.92 3.99 1.63 -1.96 -2.77 116.57 118.69 2rj3 h LYS 2013Ca -0.43 -0.03 0.11 0.00 -0.85 0.00 0.00 60.65 59.46 2rj3 h LYS 2013Cb 1.25 -0.10 -0.08 0.00 -0.60 0.00 0.00 32.23 32.70 2rj3 h LYS 2013CO 0.72 0.29 0.55 -0.97 -3.45 0.00 0.00 179.45 176.59 2rj3 h ASN 2014N 0.45 0.79 -0.22 4.20 -1.24 -1.96 -2.22 115.58 115.37 2rj3 h ASN 2014Ca 0.24 0.05 0.06 0.00 0.71 0.00 0.00 56.30 57.37 2rj3 h ASN 2014Cb 0.21 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.15 2rj3 h ASN 2014CO -0.21 0.42 0.25 0.44 -1.29 0.00 0.00 177.43 177.05 2rj3 h ASP 2015N 0.88 0.00 1.35 1.15 3.45 -1.89 -2.04 116.42 119.31 2rj3 h ASP 2015Ca 0.46 0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.83 2rj3 h ASP 2015Cb 0.46 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.21 2rj3 h ASP 2015CO -0.27 0.00 -0.67 -0.07 -1.57 0.00 0.00 179.24 176.66 2rj3 h LEU 2016N 0.00 0.00 1.38 1.55 4.07 -1.48 -3.48 115.31 117.34 2rj3 h LEU 2016Ca 0.11 0.00 -0.40 0.00 0.08 0.00 0.00 57.88 57.67 2rj3 h LEU 2016Cb 0.60 0.00 0.03 0.00 1.08 0.00 0.00 40.66 42.37 2rj3 h LEU 2016CO -0.00 0.37 -0.58 0.00 -1.08 0.00 0.00 178.44 177.15 2rj3 n GLN 2017N -3.06 -4.06 -0.87 1.13 1.13 -0.77 -2.04 117.38 108.83 2rj3 n GLN 2017Ca -0.00 0.87 0.00 0.00 -1.94 0.00 0.00 57.00 55.93 2rj3 n GLN 2017Cb 0.70 -5.67 0.00 0.00 0.11 0.00 0.00 30.24 25.38 2rj3 n GLN 2017CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2rj3 n GLY 2018N -1.37 0.47 3.75 1.08 0.00 -1.26 -4.68 105.19 103.17 2rj3 n GLY 2018Ca -0.13 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 44.53 2rj3 n GLY 2018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rj3 s ALA 2019N -2.00 3.50 0.00 4.61 0.00 -0.87 -4.76 121.76 122.24 2rj3 s ALA 2019Ca 0.00 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.06 2rj3 s ALA 2019Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.66 2rj3 s ALA 2019CO 0.00 -0.50 0.03 1.04 0.00 0.00 0.00 175.76 176.33 2rj3 n GLN 2020N 2.06 6.36 -5.08 0.00 6.02 -1.26 -4.19 117.38 121.29 2rj3 n GLN 2020Ca 0.04 -0.03 -0.31 0.00 -0.01 0.00 0.00 57.00 56.69 2rj3 n GLN 2020Cb 0.43 -0.52 -0.15 0.00 1.02 0.00 0.00 30.24 31.02 2rj3 n GLN 2020CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2rj3 s LEU 2021N -1.83 2.27 -0.04 1.08 0.20 -1.26 0.50 118.68 119.60 2rj3 s LEU 2021Ca 0.00 -0.44 0.03 0.00 0.69 0.00 0.00 54.13 54.41 2rj3 s LEU 2021Cb 0.00 -1.39 0.01 0.00 -0.43 0.00 0.00 46.19 44.37 2rj3 s LEU 2021CO 0.00 0.31 -0.10 0.00 -0.29 0.00 0.00 176.35 176.26 2rj3 s ALA 2022N -0.71 1.03 -0.19 5.97 0.00 0.80 -2.28 121.76 126.37 2rj3 s ALA 2022Ca 0.11 -0.38 -0.15 0.00 0.00 0.00 0.00 51.96 51.54 2rj3 s ALA 2022Cb -0.10 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 2rj3 s ALA 2022CO 0.01 0.14 0.38 0.42 0.00 0.00 0.00 175.76 176.70 2rj3 s ILE 2023N 0.33 5.22 -0.51 0.00 1.01 -0.36 -0.92 121.20 125.97 2rj3 s ILE 2023Ca -0.06 0.67 0.03 0.00 0.00 0.00 0.00 60.65 61.30 2rj3 s ILE 2023Cb -0.11 -3.71 0.14 0.00 0.01 0.00 0.00 42.46 38.79 2rj3 s ILE 2023CO 0.01 0.28 0.30 0.68 0.00 0.00 0.00 174.94 176.21 2rj3 s VAL 2024N 1.12 2.01 0.91 2.92 -7.23 0.26 -1.38 120.40 119.02 2rj3 s VAL 2024Ca 0.19 -3.13 -0.13 0.00 -1.81 0.00 0.00 61.98 57.09 2rj3 s VAL 2024Cb -0.14 -2.38 0.14 0.00 0.56 0.00 0.00 36.38 34.55 2rj3 s VAL 2024CO 0.07 -0.90 1.18 -2.16 -0.31 0.00 0.00 175.10 172.98 2rj3 s PRO 2025N -0.21 1.14 -0.14 4.82 0.04 -1.21 -3.87 135.00 135.58 2rj3 s PRO 2025Ca 0.20 0.10 -0.15 0.00 0.04 0.00 0.00 61.00 61.19 2rj3 s PRO 2025Cb -0.20 -1.86 -0.13 0.00 0.04 0.00 0.00 34.50 32.36 2rj3 s PRO 2025CO -0.04 -2.16 0.27 0.78 0.04 0.00 0.00 177.00 175.89 2rj3 h GLY 2026N -1.46 0.00 -4.84 0.56 0.00 -1.82 -0.68 103.07 94.83 2rj3 h GLY 2026Ca -0.48 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.30 2rj3 h GLY 2026CO 0.57 0.00 0.73 -0.35 0.00 0.00 0.00 176.54 177.50 2rj3 s ASP 2027N -6.02 7.03 0.54 0.19 -1.08 -1.26 -1.49 116.67 114.58 2rj3 s ASP 2027Ca -0.14 1.80 0.21 0.00 -0.52 0.00 0.00 52.55 53.91 2rj3 s ASP 2027Cb 0.00 -2.56 1.45 0.00 -1.46 0.00 0.00 42.92 40.36 2rj3 s ASP 2027CO 0.37 -0.61 2.16 -0.65 0.52 0.00 0.00 175.17 176.96 2rj3 h PRO 2028N 7.57 0.00 0.00 4.34 0.11 -1.89 -2.28 132.00 139.85 2rj3 h PRO 2028Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2rj3 h PRO 2028Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2rj3 h PRO 2028CO 0.89 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.61 2rj3 h GLU 2029N 0.00 0.00 0.00 1.05 4.39 -1.97 -3.00 114.58 115.05 2rj3 h GLU 2029Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2rj3 h GLU 2029Cb 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 2rj3 h GLU 2029CO -0.00 0.00 -1.01 0.54 -1.16 0.00 0.00 179.01 177.37 2rj3 n ARG 2030N -2.62 0.27 -0.10 2.33 5.12 -0.86 -4.44 116.66 116.36 2rj3 n ARG 2030Ca 0.00 -0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 55.85 2rj3 n ARG 2030Cb 0.19 -1.59 0.01 0.00 -1.16 0.00 0.00 32.46 29.92 2rj3 n ARG 2030CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2rj3 h VAL 2031N 0.00 0.91 -0.29 1.55 2.07 -1.63 -2.78 116.25 116.09 2rj3 h VAL 2031Ca 0.00 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 2rj3 h VAL 2031Cb 0.72 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2rj3 h VAL 2031CO 0.00 0.05 0.11 -0.08 0.02 0.00 0.00 177.57 177.67 2rj3 h GLU 2032N 0.29 0.44 -0.74 1.57 4.81 -1.80 -2.40 114.58 116.75 2rj3 h GLU 2032Ca 0.16 -0.08 0.11 0.00 -0.13 0.00 0.00 59.36 59.42 2rj3 h GLU 2032Cb 0.13 -0.07 -0.08 0.00 0.63 0.00 0.00 28.75 29.36 2rj3 h GLU 2032CO -0.16 0.47 0.35 0.87 -0.73 0.00 0.00 179.01 179.81 2rj3 h LYS 2033N 0.31 0.55 -0.24 1.92 1.57 -1.76 0.15 116.57 119.07 2rj3 h LYS 2033Ca 0.09 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 2rj3 h LYS 2033Cb 0.20 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2rj3 h LYS 2033CO -0.01 0.36 0.08 0.82 -0.57 0.00 0.00 179.45 180.14 2rj3 h ILE 2034N 0.56 1.18 0.00 1.86 2.04 -1.40 -3.03 117.51 118.73 2rj3 h ILE 2034Ca 0.38 -0.57 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 2rj3 h ILE 2034Cb 0.46 1.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 2rj3 h ILE 2034CO -0.31 0.19 -0.15 0.00 0.00 0.00 0.00 178.15 177.87 2rj3 h ALA 2035N 0.91 1.07 0.00 1.87 0.00 -0.82 -2.82 119.26 119.48 2rj3 h ALA 2035Ca 0.08 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2rj3 h ALA 2035Cb 0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2rj3 h ALA 2035CO -0.00 0.19 -0.21 0.00 0.00 0.00 0.00 179.25 179.23 2rj3 h ALA 2036N 1.85 1.31 0.00 0.00 0.00 -0.60 -2.42 119.26 119.39 2rj3 h ALA 2036Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2rj3 h ALA 2036Cb 0.59 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2rj3 h ALA 2036CO 0.02 0.26 0.00 -0.07 0.00 0.00 0.00 179.25 179.46 2rj3 h LEU 2037N 0.00 0.00-10.20 0.00 3.38 -1.56 -3.46 115.31 103.48 2rj3 h LEU 2037Ca -0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 2rj3 h LEU 2037Cb 0.49 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 2rj3 h LEU 2037CO 0.03 0.00 -0.36 -0.04 0.09 0.00 0.00 178.44 178.15 2rj3 s MET 2038N -3.32 2.36 0.33 1.13 -1.94 -0.91 -5.12 119.30 111.83 2rj3 s MET 2038Ca 0.05 -1.78 -0.25 0.00 -1.71 0.00 0.00 55.69 52.00 2rj3 s MET 2038Cb 0.10 -2.20 -0.10 0.00 2.01 0.00 0.00 34.83 34.64 2rj3 s MET 2038CO 0.46 -0.36 0.92 -0.51 -0.01 0.00 0.00 175.02 175.53 2rj3 s ASP 2039N -4.16 7.27 -1.24 3.03 1.01 -0.59 -4.36 116.67 117.63 2rj3 s ASP 2039Ca 0.42 1.78 -0.06 0.00 0.71 0.00 0.00 52.55 55.39 2rj3 s ASP 2039Cb -0.01 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.34 2rj3 s ASP 2039CO 0.25 -0.09 0.72 0.29 0.21 0.00 0.00 175.17 176.55 2rj3 n LYS 2040N 0.43 -3.41 -2.20 8.23 4.01 -1.26 0.47 118.16 124.43 2rj3 n LYS 2040Ca 0.02 0.58 -0.42 0.00 -0.51 0.00 0.00 58.31 57.98 2rj3 n LYS 2040Cb 0.51 -4.90 -0.03 0.00 -0.51 0.00 0.00 35.03 30.10 2rj3 n LYS 2040CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 2rj3 s PRO 2041N -5.84 4.25 -0.04 1.97 0.04 -1.26 -4.38 135.00 129.74 2rj3 s PRO 2041Ca 0.19 1.98 0.01 0.00 0.04 0.00 0.00 61.00 63.21 2rj3 s PRO 2041Cb -0.05 -3.69 0.02 0.00 0.04 0.00 0.00 34.50 30.82 2rj3 s PRO 2041CO 0.82 -0.66 -0.03 0.08 0.04 0.00 0.00 177.00 177.25 2rj3 s VAL 2042N 2.91 0.43 0.40 -0.36 1.01 -0.22 -5.01 120.40 119.56 2rj3 s VAL 2042Ca 0.65 -0.08 -0.26 0.00 0.00 0.00 0.00 61.98 62.28 2rj3 s VAL 2042Cb -0.31 -0.47 -0.09 0.00 0.00 0.00 0.00 36.38 35.52 2rj3 s VAL 2042CO 0.25 0.19 1.28 -0.75 0.00 0.00 0.00 175.10 176.08 2rj3 s LYS 2043N 0.83 4.03 -0.08 2.72 2.20 -1.26 -0.43 119.74 127.74 2rj3 s LYS 2043Ca -0.10 2.11 -0.10 0.00 -0.36 0.00 0.00 55.97 57.51 2rj3 s LYS 2043Cb -0.13 -2.78 -0.04 0.00 -1.51 0.00 0.00 37.83 33.37 2rj3 s LYS 2043CO -0.00 -0.43 -0.20 1.28 -0.36 0.00 0.00 175.35 175.64 2rj3 n LEU 2044N 0.20 1.51 -3.73 5.43 4.77 -0.48 -4.84 117.00 119.86 2rj3 n LEU 2044Ca 0.03 0.24 -0.09 0.00 -0.03 0.00 0.00 56.01 56.17 2rj3 n LEU 2044Cb 0.44 -0.55 -0.02 0.00 -2.33 0.00 0.00 43.42 40.95 2rj3 n LEU 2044CO 0.55 -0.34 0.41 0.00 -1.33 0.00 0.00 177.39 176.68 2rj3 s ALA 2045N -2.48 -1.23 -0.29 -1.18 0.00 -1.17 -5.01 121.76 110.40 2rj3 s ALA 2045Ca -0.18 -0.11 0.02 0.00 0.00 0.00 0.00 51.96 51.69 2rj3 s ALA 2045Cb 0.03 0.87 0.16 0.00 0.00 0.00 0.00 23.12 24.19 2rj3 s ALA 2045CO 0.25 -0.92 0.43 0.45 0.00 0.00 0.00 175.76 175.97 2rj3 s SER 2046N -2.87 0.15 -0.04 0.00 0.15 -1.26 -0.66 113.70 109.16 2rj3 s SER 2046Ca 0.09 -0.24 0.02 0.00 0.70 0.00 0.00 55.95 56.52 2rj3 s SER 2046Cb -0.04 1.22 0.02 0.00 -1.71 0.00 0.00 66.02 65.51 2rj3 s SER 2046CO 0.00 -0.34 -0.06 -1.00 1.20 0.00 0.00 173.24 173.04 2rj3 s HIS 2047N 2.58 0.87 0.00 3.44 3.76 -0.69 -4.99 115.29 120.25 2rj3 s HIS 2047Ca 0.10 -0.25 0.00 0.00 -0.15 0.00 0.00 55.06 54.76 2rj3 s HIS 2047Cb -0.13 -0.70 0.00 0.00 1.11 0.00 0.00 32.58 32.86 2rj3 s HIS 2047CO -0.28 -0.17 0.00 0.54 -0.85 0.00 0.00 174.74 173.98 2rj3 n ARG 2048N 3.81 0.00 -0.03 1.40 1.74 -1.26 -0.72 116.66 121.60 2rj3 n ARG 2048Ca -0.23 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 56.97 2rj3 n ARG 2048Cb 0.52 0.00 0.40 0.00 -1.02 0.00 0.00 32.46 32.36 2rj3 n ARG 2048CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2rj3 n GLU 2049N 14.00 1.84 -3.50 5.56 0.28 -1.26 -4.78 120.64 132.78 2rj3 n GLU 2049Ca 0.00 -1.23 -0.42 0.00 -0.16 0.00 0.00 57.16 55.35 2rj3 n GLU 2049Cb 0.00 -1.46 -0.07 0.00 1.43 0.00 0.00 31.44 31.34 2rj3 n GLU 2049CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 2rj3 s PHE 2050N -1.92 3.40 -0.20 -1.84 0.40 0.10 -4.03 117.98 113.89 2rj3 s PHE 2050Ca 0.35 -1.77 -0.03 0.00 -0.60 0.00 0.00 56.93 54.88 2rj3 s PHE 2050Cb 0.20 -3.57 -0.01 0.00 0.51 0.00 0.00 43.02 40.15 2rj3 s PHE 2050CO 0.31 -1.00 -0.06 0.95 0.70 0.00 0.00 175.22 176.12 2rj3 s THR 2051N 1.34 3.33 0.02 0.64 -4.23 -1.26 -1.71 115.64 113.78 2rj3 s THR 2051Ca 0.06 -0.52 0.03 0.00 -1.18 0.00 0.00 61.69 60.08 2rj3 s THR 2051Cb -0.26 -2.49 -0.04 0.00 1.34 0.00 0.00 72.50 71.05 2rj3 s THR 2051CO -0.00 0.45 -0.03 -0.94 -0.54 0.00 0.00 174.62 173.55 2rj3 s SER 2052N 1.22 4.87 0.03 3.99 1.04 0.16 -2.35 113.70 122.66 2rj3 s SER 2052Ca 0.03 -0.11 0.02 0.00 0.48 0.00 0.00 55.95 56.36 2rj3 s SER 2052Cb -0.14 -1.18 -0.02 0.00 0.10 0.00 0.00 66.02 64.77 2rj3 s SER 2052CO -0.02 0.26 -0.06 0.26 0.98 0.00 0.00 173.24 174.66 2rj3 s TRP 2053N -1.09 0.53 -0.01 5.02 0.52 0.88 -1.39 118.94 123.39 2rj3 s TRP 2053Ca 0.20 -0.42 0.06 0.00 0.02 0.00 0.00 56.10 55.96 2rj3 s TRP 2053Cb -0.11 -0.33 -0.03 0.00 -1.15 0.00 0.00 33.47 31.86 2rj3 s TRP 2053CO 0.11 -0.09 -0.20 0.50 0.02 0.00 0.00 176.95 177.28 2rj3 s ARG 2054N -1.27 2.20 0.23 4.98 3.52 0.42 -0.38 118.95 128.65 2rj3 s ARG 2054Ca -0.09 -0.88 -0.03 0.00 -0.13 0.00 0.00 55.73 54.60 2rj3 s ARG 2054Cb -0.08 -2.18 -0.03 0.00 -1.56 0.00 0.00 34.95 31.09 2rj3 s ARG 2054CO 0.00 0.57 0.24 0.00 -0.81 0.00 0.00 175.30 175.30 2rj3 s ALA 2055N -0.74 0.89 -0.05 6.12 0.00 0.66 -1.05 121.76 127.58 2rj3 s ALA 2055Ca 0.12 -1.54 0.02 0.00 0.00 0.00 0.00 51.96 50.56 2rj3 s ALA 2055Cb -0.10 1.31 -0.03 0.00 0.00 0.00 0.00 23.12 24.30 2rj3 s ALA 2055CO 0.01 -0.67 -0.10 -1.21 0.00 0.00 0.00 175.76 173.79 2rj3 s GLU 2056N -4.01 2.60 -0.13 0.00 2.02 0.18 0.56 118.70 119.92 2rj3 s GLU 2056Ca 0.35 -0.64 -0.02 0.00 0.02 0.00 0.00 54.97 54.68 2rj3 s GLU 2056Cb 0.05 -2.48 0.04 0.00 0.10 0.00 0.00 34.13 31.84 2rj3 s GLU 2056CO 0.13 0.64 0.00 -1.17 0.02 0.00 0.00 175.26 174.88 2rj3 s LEU 2057N -0.86 0.98 -1.28 1.80 2.96 0.95 -1.54 118.68 121.69 2rj3 s LEU 2057Ca 0.13 -0.44 -0.06 0.00 -0.22 0.00 0.00 54.13 53.53 2rj3 s LEU 2057Cb -0.11 -0.59 0.04 0.00 0.50 0.00 0.00 46.19 46.03 2rj3 s LEU 2057CO 0.02 -0.23 0.40 0.47 -1.32 0.00 0.00 176.35 175.69 2rj3 n ASP 2058N 5.06 -4.21 0.00 3.68 8.00 -1.26 -1.73 116.55 126.09 2rj3 n ASP 2058Ca -0.09 -0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.17 2rj3 n ASP 2058Cb 0.49 -3.48 0.00 0.00 -0.02 0.00 0.00 41.12 38.10 2rj3 n ASP 2058CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2rj3 n GLY 2059N -1.16 3.15 3.85 0.44 0.00 -1.26 -5.05 105.19 105.16 2rj3 n GLY 2059Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 2rj3 n GLY 2059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rj3 s LYS 2060N -0.35 3.91 0.29 1.61 3.01 -0.71 -5.03 119.74 122.48 2rj3 s LYS 2060Ca 0.00 0.41 -0.29 0.00 -1.01 0.00 0.00 55.97 55.08 2rj3 s LYS 2060Cb 0.00 -2.88 -0.09 0.00 -1.01 0.00 0.00 37.83 33.85 2rj3 s LYS 2060CO 0.00 0.45 1.07 0.00 0.51 0.00 0.00 175.35 177.39 2rj3 s ALA 2061N -1.53 3.36 -0.03 5.17 0.00 -1.26 -0.03 121.76 127.44 2rj3 s ALA 2061Ca 0.39 0.84 0.01 0.00 0.00 0.00 0.00 51.96 53.20 2rj3 s ALA 2061Cb -0.14 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.69 2rj3 s ALA 2061CO 0.19 -0.12 -0.02 0.08 0.00 0.00 0.00 175.76 175.90 2rj3 s VAL 2062N -1.22 0.30 0.01 0.00 1.01 0.19 -4.16 120.40 116.52 2rj3 s VAL 2062Ca 0.45 -0.03 -0.11 0.00 0.00 0.00 0.00 61.98 62.29 2rj3 s VAL 2062Cb -0.30 -0.34 -0.05 0.00 0.00 0.00 0.00 36.38 35.68 2rj3 s VAL 2062CO 0.38 0.15 0.35 -0.63 0.00 0.00 0.00 175.10 175.35 2rj3 s ILE 2063N 0.72 5.15 -0.10 2.22 -1.09 -0.97 -0.25 121.20 126.90 2rj3 s ILE 2063Ca -0.08 0.56 0.03 0.00 -2.23 0.00 0.00 60.65 58.93 2rj3 s ILE 2063Cb -0.11 -3.63 0.01 0.00 -1.58 0.00 0.00 42.46 37.15 2rj3 s ILE 2063CO -0.01 0.48 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.31 2rj3 s VAL 2064N -1.19 1.66 -0.15 2.92 1.01 0.49 -1.22 120.40 123.92 2rj3 s VAL 2064Ca 0.25 -0.77 -0.13 0.00 0.00 0.00 0.00 61.98 61.33 2rj3 s VAL 2064Cb -0.15 -1.47 0.04 0.00 0.00 0.00 0.00 36.38 34.80 2rj3 s VAL 2064CO 0.14 0.47 0.39 0.00 0.00 0.00 0.00 175.10 176.10 2rj3 s SER 2066N 0.43 6.67 -0.13 0.00 1.04 -0.99 -3.33 113.70 117.38 2rj3 s SER 2066Ca -0.02 1.27 0.13 0.00 0.48 0.00 0.00 55.95 57.81 2rj3 s SER 2066Cb -0.04 -2.37 -0.18 0.00 0.10 0.00 0.00 66.02 63.53 2rj3 s SER 2066CO -0.02 -0.32 0.07 0.35 0.98 0.00 0.00 173.24 174.31 2rj3 n THR 2067N -0.84 0.88 -2.30 2.02 -2.24 -0.26 -4.37 114.28 107.17 2rj3 n THR 2067Ca 0.04 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 2rj3 n THR 2067Cb 0.54 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 2rj3 n THR 2067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rj3 n GLY 2068N 2.09 -2.05 3.74 3.38 0.00 -0.55 -3.82 105.19 107.98 2rj3 n GLY 2068Ca -0.21 -1.67 -0.39 0.00 0.00 0.00 0.00 46.02 43.75 2rj3 n GLY 2068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rj3 s ILE 2069N -0.09 5.03 0.00 -0.61 1.01 -1.26 -4.63 121.20 120.65 2rj3 s ILE 2069Ca 0.00 1.19 0.00 0.00 0.00 0.00 0.00 60.65 61.84 2rj3 s ILE 2069Cb 0.00 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.56 2rj3 s ILE 2069CO 0.00 0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.90 2rj3 n GLY 2070N 2.84 0.94 0.22 6.18 0.00 -1.26 -4.65 105.19 109.48 2rj3 n GLY 2070Ca -0.06 -1.80 -0.09 0.00 0.00 0.00 0.00 46.02 44.07 2rj3 n GLY 2070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2rj3 h GLY 2071N 0.00 0.79 0.45 -0.02 0.00 -1.88 -2.82 103.07 99.58 2rj3 h GLY 2071Ca 0.00 -0.49 0.08 0.00 0.00 0.00 0.00 47.33 46.92 2rj3 h GLY 2071CO 0.00 0.46 0.14 -2.55 0.00 0.00 0.00 176.54 174.59 2rj3 h PRO 2072N 0.61 0.29 -0.37 4.80 0.11 -1.95 0.32 132.00 135.81 2rj3 h PRO 2072Ca 0.14 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 66.09 2rj3 h PRO 2072Cb 0.31 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 2rj3 h PRO 2072CO 0.00 0.19 -0.36 0.66 -0.21 0.00 0.00 178.00 178.28 2rj3 h SER 2073N 0.30 0.95 -0.62 -2.05 4.64 -1.83 -3.04 113.55 111.90 2rj3 h SER 2073Ca 0.25 -0.47 0.08 0.00 -0.47 0.00 0.00 61.79 61.18 2rj3 h SER 2073Cb 0.30 -0.27 -0.06 0.00 -0.31 0.00 0.00 62.40 62.06 2rj3 h SER 2073CO -0.28 1.22 0.29 0.74 -0.87 0.00 0.00 176.83 177.93 2rj3 h THR 2074N 0.70 0.87 0.00 2.95 2.02 -1.11 -1.90 112.91 116.43 2rj3 h THR 2074Ca 0.06 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 67.02 2rj3 h THR 2074Cb 0.96 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.65 2rj3 h THR 2074CO 0.09 0.10 -0.16 0.77 0.37 0.00 0.00 175.52 176.69 2rj3 h SER 2075N 0.53 0.00 -0.04 4.18 4.64 -0.35 -0.93 113.55 121.58 2rj3 h SER 2075Ca 0.30 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.56 2rj3 h SER 2075Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2rj3 h SER 2075CO -0.24 0.16 -0.21 0.40 -0.87 0.00 0.00 176.83 176.07 2rj3 h ILE 2076N 0.00 1.47 0.32 0.95 2.04 -1.25 -2.28 117.51 118.76 2rj3 h ILE 2076Ca -0.00 -1.70 -0.02 0.00 1.00 0.00 0.00 64.86 64.14 2rj3 h ILE 2076Cb 0.37 2.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.92 2rj3 h ILE 2076CO 0.02 0.47 -0.15 0.00 0.00 0.00 0.00 178.15 178.49 2rj3 h ALA 2077N 0.38 -0.43 -0.73 1.87 0.00 -1.03 -1.15 119.26 118.16 2rj3 h ALA 2077Ca -0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2rj3 h ALA 2077Cb 0.87 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 2rj3 h ALA 2077CO 0.04 -0.72 0.35 0.28 0.00 0.00 0.00 179.25 179.21 2rj3 h VAL 2078N -0.48 1.23 0.22 0.00 2.07 -1.31 0.10 116.25 118.08 2rj3 h VAL 2078Ca -0.04 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 2rj3 h VAL 2078Cb 0.36 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 2rj3 h VAL 2078CO 0.07 0.27 -0.10 -0.08 0.02 0.00 0.00 177.57 177.75 2rj3 h GLU 2079N 1.04 -0.28 -0.05 1.57 4.57 -1.31 -1.76 114.58 118.37 2rj3 h GLU 2079Ca 0.25 0.02 -0.13 0.00 -1.18 0.00 0.00 59.36 58.33 2rj3 h GLU 2079Cb 0.10 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 2rj3 h GLU 2079CO -0.03 -0.03 -0.55 0.93 -1.18 0.00 0.00 179.01 178.15 2rj3 h GLU 2080N -0.51 0.13 -0.61 1.92 5.08 -1.01 -2.01 114.58 117.56 2rj3 h GLU 2080Ca -0.03 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.15 2rj3 h GLU 2080Cb 0.38 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2rj3 h GLU 2080CO 0.05 0.65 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.63 2rj3 h LEU 2081N 0.10 1.06 -0.77 1.33 3.38 -0.84 -2.99 115.31 116.59 2rj3 h LEU 2081Ca -0.00 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.58 2rj3 h LEU 2081Cb 1.00 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 2rj3 h LEU 2081CO 0.08 1.11 0.06 0.00 0.09 0.00 0.00 178.44 179.78 2rj3 h ALA 2082N 0.99 0.98 -0.22 1.53 0.00 -0.98 -1.80 119.26 119.77 2rj3 h ALA 2082Ca 0.17 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.85 2rj3 h ALA 2082Cb 0.57 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2rj3 h ALA 2082CO 0.03 0.63 0.15 1.96 0.00 0.00 0.00 179.25 182.03 2rj3 h GLN 2083N 0.93 0.10 -0.01 0.00 4.20 -1.32 -1.81 115.11 117.19 2rj3 h GLN 2083Ca 0.18 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2rj3 h GLN 2083Cb 0.45 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.21 2rj3 h GLN 2083CO 0.02 0.07 -0.09 1.28 -0.67 0.00 0.00 178.83 179.44 2rj3 n LEU 2084N -4.49 1.18 0.00 1.46 4.77 -0.78 -4.91 117.00 114.22 2rj3 n LEU 2084Ca 0.02 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 2rj3 n LEU 2084Cb 0.22 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2rj3 n LEU 2084CO 0.35 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 2rj3 n GLY 2085N 1.23 1.03 3.73 -0.72 0.00 -0.68 -4.82 105.19 104.95 2rj3 n GLY 2085Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2rj3 n GLY 2085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rj3 s ILE 2086N -2.00 3.79 0.00 -0.61 -1.09 -0.75 -4.41 121.20 116.13 2rj3 s ILE 2086Ca 0.00 1.44 0.00 0.00 -2.23 0.00 0.00 60.65 59.86 2rj3 s ILE 2086Cb 0.00 -3.92 0.00 0.00 -1.58 0.00 0.00 42.46 36.96 2rj3 s ILE 2086CO 0.00 0.20 0.00 0.54 -1.23 0.00 0.00 174.94 174.45 2rj3 n ARG 2087N 2.91 2.92 -4.73 2.79 5.12 0.18 -4.24 116.66 121.61 2rj3 n ARG 2087Ca 0.05 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.64 2rj3 n ARG 2087Cb 0.46 -0.94 -0.14 0.00 -1.16 0.00 0.00 32.46 30.68 2rj3 n ARG 2087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2rj3 s THR 2088N -1.84 3.20 -0.11 0.55 2.01 -0.44 -1.13 115.64 117.89 2rj3 s THR 2088Ca 0.00 -0.62 0.02 0.00 0.31 0.00 0.00 61.69 61.41 2rj3 s THR 2088Cb 0.00 -2.34 0.01 0.00 0.01 0.00 0.00 72.50 70.18 2rj3 s THR 2088CO 0.00 0.53 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.92 2rj3 s PHE 2089N 0.18 2.19 -0.22 4.92 0.40 0.28 -0.14 117.98 125.58 2rj3 s PHE 2089Ca -0.07 -0.99 0.02 0.00 -0.60 0.00 0.00 56.93 55.29 2rj3 s PHE 2089Cb -0.15 -1.52 0.05 0.00 0.51 0.00 0.00 43.02 41.90 2rj3 s PHE 2089CO 0.05 -0.47 -0.12 -0.51 0.70 0.00 0.00 175.22 174.87 2rj3 s LEU 2090N 0.76 2.79 -0.14 -0.37 1.43 -0.10 -1.68 118.68 121.37 2rj3 s LEU 2090Ca -0.11 -1.08 -0.24 0.00 -1.03 0.00 0.00 54.13 51.67 2rj3 s LEU 2090Cb -0.16 -1.43 -0.02 0.00 0.03 0.00 0.00 46.19 44.61 2rj3 s LEU 2090CO 0.02 -0.14 0.75 -0.13 0.23 0.00 0.00 176.35 177.08 2rj3 s ARG 2091N 1.24 4.33 -0.10 1.70 1.81 -0.02 -0.57 118.95 127.34 2rj3 s ARG 2091Ca -0.04 0.91 0.03 0.00 -1.72 0.00 0.00 55.73 54.91 2rj3 s ARG 2091Cb -0.17 -3.53 0.01 0.00 -0.45 0.00 0.00 34.95 30.80 2rj3 s ARG 2091CO -0.08 -0.18 -0.19 -1.50 -0.68 0.00 0.00 175.30 172.67 2rj3 s ILE 2092N 1.64 1.76 0.11 1.52 -1.16 -1.25 -0.86 121.20 122.96 2rj3 s ILE 2092Ca 0.37 -0.83 -0.02 0.00 -0.51 0.00 0.00 60.65 59.66 2rj3 s ILE 2092Cb -0.17 -1.56 0.01 0.00 0.61 0.00 0.00 42.46 41.35 2rj3 s ILE 2092CO 0.14 0.49 0.17 0.61 -2.81 0.00 0.00 174.94 173.55 2rj3 n GLY 2093N 3.82 2.54 3.47 1.50 0.00 -1.11 -4.18 105.19 111.23 2rj3 n GLY 2093Ca -0.20 -1.36 -0.28 0.00 0.00 0.00 0.00 46.02 44.18 2rj3 n GLY 2093CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2rj3 s THR 2094N -2.60 2.66 0.07 2.61 -4.23 -1.26 -2.03 115.64 110.87 2rj3 s THR 2094Ca 0.08 -1.73 -0.13 0.00 -1.18 0.00 0.00 61.69 58.73 2rj3 s THR 2094Cb -0.01 -2.25 0.02 0.00 1.34 0.00 0.00 72.50 71.60 2rj3 s THR 2094CO 0.06 -0.00 0.29 0.28 -0.54 0.00 0.00 174.62 174.70 2rj3 s THR 2095N -1.38 0.10 -0.33 3.99 -1.32 -0.76 -4.92 115.64 111.02 2rj3 s THR 2095Ca 0.19 -0.81 -0.12 0.00 -1.21 0.00 0.00 61.69 59.75 2rj3 s THR 2095Cb -0.09 -1.10 -0.01 0.00 -1.51 0.00 0.00 72.50 69.79 2rj3 s THR 2095CO 0.10 -0.45 0.21 -0.83 -2.21 0.00 0.00 174.62 171.45 2rj3 s GLY 2096N -2.45 1.93 0.40 6.08 0.00 -1.25 -2.04 107.32 110.00 2rj3 s GLY 2096Ca -0.00 -1.41 -0.25 0.00 0.00 0.00 0.00 44.72 43.05 2rj3 s GLY 2096CO -0.07 0.76 1.17 0.00 0.00 0.00 0.00 173.10 174.95 2rj3 s ALA 2097N 1.68 3.16 -0.93 3.20 0.00 -0.67 -2.80 121.76 125.39 2rj3 s ALA 2097Ca 0.05 0.96 0.08 0.00 0.00 0.00 0.00 51.96 53.05 2rj3 s ALA 2097Cb -0.17 -3.38 0.08 0.00 0.00 0.00 0.00 23.12 19.65 2rj3 s ALA 2097CO 0.09 -0.52 0.81 0.44 0.00 0.00 0.00 175.76 176.58 2rj3 n ILE 2098N 0.10 0.14 -4.24 0.00 -5.35 -0.68 -0.89 119.36 108.43 2rj3 n ILE 2098Ca 0.04 -0.57 -0.34 0.00 -0.27 0.00 0.00 62.75 61.61 2rj3 n ILE 2098Cb 0.46 1.07 -0.11 0.00 -1.74 0.00 0.00 39.64 39.32 2rj3 n ILE 2098CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2rj3 s GLN 2099N -0.70 3.76 0.33 6.28 -1.52 -1.25 -4.80 119.66 121.76 2rj3 s GLN 2099Ca 0.10 -0.47 0.05 0.00 -1.95 0.00 0.00 55.36 53.09 2rj3 s GLN 2099Cb 0.07 -3.03 0.67 0.00 -0.22 0.00 0.00 33.01 30.50 2rj3 s GLN 2099CO 0.10 0.22 1.89 -1.00 -0.25 0.00 0.00 175.29 176.25 2rj3 h PRO 2100N 6.81 0.83 0.00 2.91 0.13 -1.95 -2.03 132.00 138.70 2rj3 h PRO 2100Ca -0.33 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.73 2rj3 h PRO 2100Cb 1.18 -0.19 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 2rj3 h PRO 2100CO 0.65 0.55 -0.05 1.12 -0.23 0.00 0.00 178.00 180.03 2rj3 h HIS 2101N 0.86 0.00 -3.10 1.56 2.07 -2.02 -3.42 115.15 111.09 2rj3 h HIS 2101Ca 0.42 0.00 -0.57 0.00 -2.85 0.00 0.00 60.37 57.37 2rj3 h HIS 2101Cb 0.45 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.38 2rj3 h HIS 2101CO -0.00 0.05 0.73 0.42 -3.07 0.00 0.00 177.93 176.06 2rj3 s ILE 2102N -3.64 4.56 0.37 6.12 -1.09 -0.77 -5.04 121.20 121.71 2rj3 s ILE 2102Ca 0.01 1.86 0.08 0.00 -2.23 0.00 0.00 60.65 60.38 2rj3 s ILE 2102Cb 0.09 -4.20 -0.04 0.00 -1.58 0.00 0.00 42.46 36.73 2rj3 s ILE 2102CO 0.57 -0.08 0.21 0.20 -1.23 0.00 0.00 174.94 174.61 2rj3 s ASN 2103N 1.36 4.76 0.28 3.58 0.01 -1.26 -4.87 114.94 118.80 2rj3 s ASN 2103Ca 0.49 -0.80 -0.30 0.00 -0.71 0.00 0.00 52.86 51.55 2rj3 s ASN 2103Cb -0.19 -0.68 -0.10 0.00 0.41 0.00 0.00 41.25 40.68 2rj3 s ASN 2103CO 0.14 -0.41 1.45 -0.69 -1.51 0.00 0.00 177.10 176.08 2rj3 s VAL 2104N -2.45 2.50 0.00 1.60 1.01 -1.26 -2.26 120.40 119.53 2rj3 s VAL 2104Ca 0.40 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.82 2rj3 s VAL 2104Cb -0.02 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.08 2rj3 s VAL 2104CO 0.24 0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.03 2rj3 n GLY 2105N 1.77 1.34 3.78 4.51 0.00 -1.16 -5.04 105.19 110.39 2rj3 n GLY 2105Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 2rj3 n GLY 2105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2rj3 s ASP 2106N -1.63 6.94 -0.03 1.61 1.01 -0.96 -4.68 116.67 118.94 2rj3 s ASP 2106Ca 0.00 2.02 -0.01 0.00 0.71 0.00 0.00 52.55 55.27 2rj3 s ASP 2106Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 2rj3 s ASP 2106CO 0.00 -0.36 0.07 0.68 0.21 0.00 0.00 175.17 175.77 2rj3 s VAL 2107N -1.60 4.71 -0.16 -1.27 -7.23 -0.34 -1.50 120.40 113.01 2rj3 s VAL 2107Ca 0.55 -0.34 0.01 0.00 -1.81 0.00 0.00 61.98 60.39 2rj3 s VAL 2107Cb -0.22 -3.12 0.01 0.00 0.56 0.00 0.00 36.38 33.61 2rj3 s VAL 2107CO 0.28 0.41 -0.18 -0.76 -0.31 0.00 0.00 175.10 174.54 2rj3 s LEU 2108N -1.54 2.26 -0.17 1.32 1.43 0.11 -1.23 118.68 120.87 2rj3 s LEU 2108Ca 0.21 -0.57 -0.08 0.00 -1.03 0.00 0.00 54.13 52.66 2rj3 s LEU 2108Cb -0.12 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 2rj3 s LEU 2108CO 0.11 0.05 0.09 -0.69 0.23 0.00 0.00 176.35 176.14 2rj3 s VAL 2109N 1.02 5.07 -0.29 -1.59 1.01 -0.65 -0.67 120.40 124.30 2rj3 s VAL 2109Ca -0.02 0.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.92 2rj3 s VAL 2109Cb -0.15 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 2rj3 s VAL 2109CO -0.05 0.49 0.18 -0.89 0.00 0.00 0.00 175.10 174.83 2rj3 s THR 2110N 0.07 5.15 -0.05 3.92 2.01 -0.68 -2.26 115.64 123.79 2rj3 s THR 2110Ca 0.07 0.03 -0.22 0.00 0.31 0.00 0.00 61.69 61.88 2rj3 s THR 2110Cb -0.12 -3.49 -0.31 0.00 0.01 0.00 0.00 72.50 68.59 2rj3 s THR 2110CO 0.00 0.21 0.89 0.71 -0.69 0.00 0.00 174.62 175.74 2rj3 h THR 2111N 5.43 1.53 -3.21 -0.82 1.35 -1.60 -3.40 112.91 112.19 2rj3 h THR 2111Ca -0.35 -2.53 -0.03 0.00 -0.55 0.00 0.00 66.41 62.96 2rj3 h THR 2111Cb 1.18 3.22 -0.12 0.00 -1.73 0.00 0.00 68.15 70.70 2rj3 h THR 2111CO 0.57 0.71 0.07 0.00 -0.25 0.00 0.00 175.52 176.62 2rj3 s ALA 2112N -2.42 -1.19 0.05 6.62 0.00 -1.25 0.20 121.76 123.77 2rj3 s ALA 2112Ca -0.14 0.10 0.08 0.00 0.00 0.00 0.00 51.96 52.00 2rj3 s ALA 2112Cb 0.01 0.81 -0.03 0.00 0.00 0.00 0.00 23.12 23.91 2rj3 s ALA 2112CO 0.82 -0.74 -0.23 -1.12 0.00 0.00 0.00 175.76 174.49 2rj3 s SER 2113N -2.80 2.71 0.00 0.00 0.01 0.62 -2.38 113.70 111.87 2rj3 s SER 2113Ca 0.04 -0.55 -0.30 0.00 1.31 0.00 0.00 55.95 56.44 2rj3 s SER 2113Cb -0.00 -0.23 -0.05 0.00 0.21 0.00 0.00 66.02 65.95 2rj3 s SER 2113CO -0.09 0.19 1.33 -0.69 0.41 0.00 0.00 173.24 174.39 2rj3 s VAL 2114N -0.82 3.84 -1.28 3.43 1.01 0.60 -4.29 120.40 122.89 2rj3 s VAL 2114Ca 0.09 1.23 -0.11 0.00 0.00 0.00 0.00 61.98 63.19 2rj3 s VAL 2114Cb -0.09 -3.79 0.15 0.00 0.00 0.00 0.00 36.38 32.65 2rj3 s VAL 2114CO 0.02 0.02 1.79 0.54 0.00 0.00 0.00 175.10 177.47 2rj3 n ARG 2115N 5.04 3.46 -0.89 2.72 1.74 -1.26 -1.68 116.66 125.79 2rj3 n ARG 2115Ca 0.12 -3.51 -0.18 0.00 -0.77 0.00 0.00 57.85 53.51 2rj3 n ARG 2115Cb 0.44 -3.02 0.10 0.00 -1.02 0.00 0.00 32.46 28.97 2rj3 n ARG 2115CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2rj3 n LEU 2116N 4.75 5.91 0.00 0.55 4.77 -0.62 -4.90 117.00 127.45 2rj3 n LEU 2116Ca 0.41 -3.12 0.00 0.00 -0.03 0.00 0.00 56.01 53.26 2rj3 n LEU 2116Cb 0.39 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 2rj3 n LEU 2116CO 0.77 0.99 0.00 -0.90 -1.33 0.00 0.00 177.39 176.93 2rj3 n ASP 2117N -0.47 1.85 0.00 -1.43 3.85 -1.22 -2.28 116.55 116.85 2rj3 n ASP 2117Ca 0.41 -0.97 0.00 0.00 -0.71 0.00 0.00 54.79 53.51 2rj3 n ASP 2117Cb 1.10 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.87 2rj3 n ASP 2117CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2rj3 n GLY 2118N 5.00 0.00 0.26 6.12 0.00 -1.26 -4.79 105.19 110.53 2rj3 n GLY 2118Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2rj3 n GLY 2118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rj3 h ALA 2119N 0.00 1.40 -0.88 4.61 0.00 -1.98 -2.54 119.26 119.87 2rj3 h ALA 2119Ca 0.00 -0.20 0.22 0.00 0.00 0.00 0.00 54.91 54.93 2rj3 h ALA 2119Cb 0.96 -0.14 -0.16 0.00 0.00 0.00 0.00 17.79 18.45 2rj3 h ALA 2119CO 0.00 0.42 0.04 0.77 0.00 0.00 0.00 179.25 180.48 2rj3 h SER 2120N 0.45 -0.38 0.38 0.00 0.02 -1.86 0.08 113.55 112.23 2rj3 h SER 2120Ca 0.10 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 2rj3 h SER 2120Cb 0.34 0.40 0.00 0.00 0.14 0.00 0.00 62.40 63.28 2rj3 h SER 2120CO 0.01 -0.25 0.00 0.18 -1.14 0.00 0.00 176.83 175.63 2rj3 n LEU 2121N -5.40 0.01 -0.57 5.07 4.77 -0.96 -1.69 117.00 118.24 2rj3 n LEU 2121Ca 0.19 0.50 0.12 0.00 -0.03 0.00 0.00 56.01 56.79 2rj3 n LEU 2121Cb 0.62 -0.50 0.42 0.00 -2.33 0.00 0.00 43.42 41.62 2rj3 n LEU 2121CO -0.00 -0.32 0.80 1.41 -1.33 0.00 0.00 177.39 177.95 2rj3 n HIS 2122N -1.51 0.13 0.00 -1.77 8.25 0.01 -4.10 115.22 116.24 2rj3 n HIS 2122Ca 0.03 -0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 2rj3 n HIS 2122Cb 0.13 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.24 2rj3 n HIS 2122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2rj3 n PHE 2123N 0.35 0.00 -3.59 4.41 3.01 -0.68 -5.10 117.46 115.85 2rj3 n PHE 2123Ca 0.17 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.47 2rj3 n PHE 2123Cb 0.36 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.76 2rj3 n PHE 2123CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2rj3 s ALA 2124N -1.71 -1.60 0.82 4.37 0.00 -0.97 -5.00 121.76 117.66 2rj3 s ALA 2124Ca 0.00 1.39 -0.10 0.00 0.00 0.00 0.00 51.96 53.25 2rj3 s ALA 2124Cb 0.00 -0.38 0.08 0.00 0.00 0.00 0.00 23.12 22.83 2rj3 s ALA 2124CO 0.00 -0.34 1.11 -1.25 0.00 0.00 0.00 175.76 175.28 2rj3 s PRO 2125N -0.65 1.87 0.52 0.00 0.04 -1.26 -3.94 135.00 131.57 2rj3 s PRO 2125Ca -0.07 1.29 0.31 0.00 0.04 0.00 0.00 61.00 62.56 2rj3 s PRO 2125Cb -0.02 -1.84 1.44 0.00 0.04 0.00 0.00 34.50 34.12 2rj3 s PRO 2125CO 0.06 -1.95 1.86 1.98 0.04 0.00 0.00 177.00 178.99 2rj3 h MET 2126N -1.36 0.06 -0.93 4.56 4.05 -1.94 -0.21 114.93 119.16 2rj3 h MET 2126Ca -0.43 -0.00 0.15 0.00 -0.28 0.00 0.00 59.70 59.14 2rj3 h MET 2126Cb 1.24 -0.01 -0.08 0.00 -0.80 0.00 0.00 31.60 31.95 2rj3 h MET 2126CO 0.48 0.04 0.59 0.93 0.23 0.00 0.00 176.91 179.18 2rj3 h GLU 2127N 0.06 0.71 -6.81 0.39 3.07 -2.03 -3.42 114.58 106.54 2rj3 h GLU 2127Ca 0.48 -0.04 -0.53 0.00 -0.50 0.00 0.00 59.36 58.76 2rj3 h GLU 2127Cb 1.79 -0.16 0.07 0.00 -0.84 0.00 0.00 28.75 29.61 2rj3 h GLU 2127CO -0.04 0.47 0.78 0.12 -1.40 0.00 0.00 179.01 178.93 2rj3 s PHE 2128N -5.73 2.89 0.06 4.33 2.19 -0.09 -4.98 117.98 116.64 2rj3 s PHE 2128Ca -0.10 1.05 -0.29 0.00 0.33 0.00 0.00 56.93 57.91 2rj3 s PHE 2128Cb 0.23 -3.89 -0.05 0.00 -1.31 0.00 0.00 43.02 37.99 2rj3 s PHE 2128CO 0.79 -2.82 0.94 -1.25 1.83 0.00 0.00 175.22 174.71 2rj3 s PRO 2129N -0.91 4.63 -1.40 10.12 0.04 -1.26 -4.97 135.00 141.25 2rj3 s PRO 2129Ca 0.58 1.38 -0.15 0.00 0.04 0.00 0.00 61.00 62.85 2rj3 s PRO 2129Cb -0.44 -3.40 0.04 0.00 0.04 0.00 0.00 34.50 30.74 2rj3 s PRO 2129CO 0.49 0.14 2.09 0.00 0.04 0.00 0.00 177.00 179.76 2rj3 n ALA 2130N 3.16 4.93 -2.74 8.56 0.00 -1.26 -4.75 120.51 128.41 2rj3 n ALA 2130Ca 0.03 -3.85 -0.35 0.00 0.00 0.00 0.00 53.44 49.26 2rj3 n ALA 2130Cb 0.50 -3.56 -0.09 0.00 0.00 0.00 0.00 19.45 16.30 2rj3 n ALA 2130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2rj3 s VAL 2131N 3.59 4.62 0.58 0.00 0.11 -1.26 -0.28 120.40 127.77 2rj3 s VAL 2131Ca 0.49 -0.13 -0.16 0.00 -2.93 0.00 0.00 61.98 59.25 2rj3 s VAL 2131Cb 0.11 -2.97 -0.04 0.00 -1.53 0.00 0.00 36.38 31.95 2rj3 s VAL 2131CO -0.04 0.60 1.06 0.00 -3.33 0.00 0.00 175.10 173.40 2rj3 s ALA 2132N -0.86 2.74 0.33 1.54 0.00 0.13 -4.69 121.76 120.96 2rj3 s ALA 2132Ca 0.13 0.44 -0.29 0.00 0.00 0.00 0.00 51.96 52.25 2rj3 s ALA 2132Cb -0.12 -3.24 -0.10 0.00 0.00 0.00 0.00 23.12 19.66 2rj3 s ALA 2132CO 0.03 -0.76 1.32 0.34 0.00 0.00 0.00 175.76 176.68 2rj3 s ASP 2133N -2.64 6.74 0.06 0.00 -1.08 0.81 -4.95 116.67 115.61 2rj3 s ASP 2133Ca 0.64 2.71 -0.24 0.00 -0.52 0.00 0.00 52.55 55.15 2rj3 s ASP 2133Cb -0.16 -2.65 -0.16 0.00 -1.46 0.00 0.00 42.92 38.48 2rj3 s ASP 2133CO 0.35 -0.56 1.63 0.15 0.52 0.00 0.00 175.17 177.25 2rj3 h PHE 2134N 3.39 -0.02 -0.70 -5.34 3.57 -1.95 -1.78 116.94 114.11 2rj3 h PHE 2134Ca -0.49 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.05 2rj3 h PHE 2134Cb 1.23 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.93 2rj3 h PHE 2134CO 0.56 0.10 0.43 0.00 -2.23 0.00 0.00 178.31 177.16 2rj3 h ALA 2135N 0.85 0.92 -0.03 2.41 0.00 -1.95 0.54 119.26 121.99 2rj3 h ALA 2135Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2rj3 h ALA 2135Cb 0.13 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2rj3 h ALA 2135CO 0.00 0.18 0.02 0.00 0.00 0.00 0.00 179.25 179.45 2rj3 h THR 2137N 0.02 0.96 -0.15 0.00 2.02 -0.97 -1.43 112.91 113.36 2rj3 h THR 2137Ca 0.01 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.24 2rj3 h THR 2137Cb 0.02 0.96 -0.06 0.00 -1.74 0.00 0.00 68.15 67.34 2rj3 h THR 2137CO -0.00 0.00 -0.23 0.74 0.37 0.00 0.00 175.52 176.40 2rj3 h THR 2138N -0.05 0.44 -0.68 3.16 2.02 -0.85 -1.30 112.91 115.65 2rj3 h THR 2138Ca -0.00 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.30 2rj3 h THR 2138Cb 0.04 0.44 -0.09 0.00 -1.74 0.00 0.00 68.15 66.80 2rj3 h THR 2138CO 0.00 0.00 0.24 0.00 0.37 0.00 0.00 175.52 176.14 2rj3 h ALA 2139N 0.71 0.90 -0.42 6.16 0.00 -1.01 0.33 119.26 125.93 2rj3 h ALA 2139Ca 0.11 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 2rj3 h ALA 2139Cb 0.44 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2rj3 h ALA 2139CO -0.31 -0.22 0.16 -0.07 0.00 0.00 0.00 179.25 178.81 2rj3 h LEU 2140N 0.39 0.59 -0.79 0.00 3.38 -0.65 0.18 115.31 118.41 2rj3 h LEU 2140Ca 0.36 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 2rj3 h LEU 2140Cb 0.52 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2rj3 h LEU 2140CO -0.38 0.60 -0.08 0.58 0.09 0.00 0.00 178.44 179.26 2rj3 h VAL 2141N 0.54 1.26 -0.06 1.22 2.07 -0.69 0.56 116.25 121.15 2rj3 h VAL 2141Ca 0.14 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.51 2rj3 h VAL 2141Cb 0.20 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2rj3 h VAL 2141CO -0.01 0.40 0.00 -0.33 0.02 0.00 0.00 177.57 177.65 2rj3 h GLU 2142N 0.76 0.11 -0.43 1.57 4.39 -0.77 -1.23 114.58 118.98 2rj3 h GLU 2142Ca 0.13 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.77 2rj3 h GLU 2142Cb 0.57 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 2rj3 h GLU 2142CO 0.03 0.37 0.14 0.00 -1.16 0.00 0.00 179.01 178.39 2rj3 h ALA 2143N 0.73 1.43 -0.28 3.43 0.00 -0.87 0.03 119.26 123.74 2rj3 h ALA 2143Ca 0.02 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2rj3 h ALA 2143Cb 0.32 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2rj3 h ALA 2143CO 0.00 0.43 -0.00 0.00 0.00 0.00 0.00 179.25 179.68 2rj3 h ALA 2144N 1.53 0.37 -0.47 0.00 0.00 -0.82 -3.14 119.26 116.73 2rj3 h ALA 2144Ca 0.15 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 2rj3 h ALA 2144Cb 0.19 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2rj3 h ALA 2144CO -0.01 0.12 -0.03 -0.22 0.00 0.00 0.00 179.25 179.11 2rj3 h LYS 2145N 0.27 0.80 0.00 0.00 3.64 -0.87 -2.62 116.57 117.80 2rj3 h LYS 2145Ca 0.08 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2rj3 h LYS 2145Cb 0.43 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2rj3 h LYS 2145CO 0.01 0.82 0.00 0.66 -2.27 0.00 0.00 179.45 178.68 2rj3 h SER 2146N 0.74 0.00 -0.43 4.20 4.64 -0.96 -1.50 113.55 120.23 2rj3 h SER 2146Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2rj3 h SER 2146Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2rj3 h SER 2146CO 0.03 0.00 0.00 -0.38 -0.87 0.00 0.00 176.83 175.61 2rj3 n ILE 2147N -2.49 1.55 -3.55 0.95 5.41 -1.12 -4.99 119.36 115.12 2rj3 n ILE 2147Ca 0.01 -1.27 -0.24 0.00 1.00 0.00 0.00 62.75 62.25 2rj3 n ILE 2147Cb 0.22 0.21 0.05 0.00 -0.71 0.00 0.00 39.64 39.41 2rj3 n ILE 2147CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2rj3 n GLY 2148N 0.50 -0.85 3.74 7.39 0.00 -0.57 -5.00 105.19 110.40 2rj3 n GLY 2148Ca 0.19 0.41 -0.31 0.00 0.00 0.00 0.00 46.02 46.30 2rj3 n GLY 2148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rj3 s ALA 2149N -3.49 3.47 -0.65 4.61 0.00 -1.00 -5.06 121.76 119.64 2rj3 s ALA 2149Ca 0.34 -1.01 -0.28 0.00 0.00 0.00 0.00 51.96 51.02 2rj3 s ALA 2149Cb -0.09 -1.39 0.03 0.00 0.00 0.00 0.00 23.12 21.67 2rj3 s ALA 2149CO 0.81 0.72 1.23 0.99 0.00 0.00 0.00 175.76 179.50 2rj3 s THR 2150N -1.30 3.89 -0.14 0.00 2.01 -1.26 -4.74 115.64 114.10 2rj3 s THR 2150Ca 0.26 0.67 -0.01 0.00 0.31 0.00 0.00 61.69 62.93 2rj3 s THR 2150Cb -0.12 -4.81 -0.02 0.00 0.01 0.00 0.00 72.50 67.56 2rj3 s THR 2150CO 0.18 -1.57 -0.12 -0.89 -0.69 0.00 0.00 174.62 171.54 2rj3 s THR 2151N 5.28 3.13 -0.14 -0.82 2.01 -1.26 -1.20 115.64 122.64 2rj3 s THR 2151Ca 0.39 -0.63 -0.00 0.00 0.31 0.00 0.00 61.69 61.76 2rj3 s THR 2151Cb -0.08 -2.32 -0.01 0.00 0.01 0.00 0.00 72.50 70.10 2rj3 s THR 2151CO 0.21 0.52 -0.13 -1.00 -0.69 0.00 0.00 174.62 173.53 2rj3 s HIS 2152N 0.40 2.82 -0.12 4.92 3.76 -0.36 -4.99 115.29 121.71 2rj3 s HIS 2152Ca -0.10 -0.71 0.00 0.00 -0.15 0.00 0.00 55.06 54.10 2rj3 s HIS 2152Cb -0.16 -1.86 -0.02 0.00 1.11 0.00 0.00 32.58 31.65 2rj3 s HIS 2152CO 0.05 -0.26 -0.13 0.08 -0.85 0.00 0.00 174.74 173.62 2rj3 s VAL 2153N 0.47 3.06 -2.78 -0.90 1.01 -1.26 -1.64 120.40 118.38 2rj3 s VAL 2153Ca -0.09 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.22 2rj3 s VAL 2153Cb -0.16 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 33.95 2rj3 s VAL 2153CO 0.04 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.29 2rj3 n GLY 2154N 3.35 -0.62 3.78 4.51 0.00 -0.96 -4.98 105.19 110.27 2rj3 n GLY 2154Ca -0.18 -0.55 -0.38 0.00 0.00 0.00 0.00 46.02 44.92 2rj3 n GLY 2154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rj3 s VAL 2155N -4.00 5.12 -0.04 1.61 1.01 -1.26 -1.46 120.40 121.38 2rj3 s VAL 2155Ca 0.00 0.85 0.05 0.00 0.00 0.00 0.00 61.98 62.87 2rj3 s VAL 2155Cb 0.00 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 2rj3 s VAL 2155CO 0.00 0.46 -0.17 -0.89 0.00 0.00 0.00 175.10 174.51 2rj3 s THR 2156N -0.24 2.87 -0.27 3.92 2.01 -1.00 -0.32 115.64 122.60 2rj3 s THR 2156Ca 0.24 -0.82 -0.20 0.00 0.31 0.00 0.00 61.69 61.21 2rj3 s THR 2156Cb -0.16 -2.11 -0.02 0.00 0.01 0.00 0.00 72.50 70.23 2rj3 s THR 2156CO 0.11 0.57 0.63 0.00 -0.69 0.00 0.00 174.62 175.24 2rj3 s ALA 2157N -0.73 3.58 -0.34 7.40 0.00 0.38 -0.29 121.76 131.77 2rj3 s ALA 2157Ca 0.11 -0.51 -0.10 0.00 0.00 0.00 0.00 51.96 51.46 2rj3 s ALA 2157Cb -0.10 -3.06 0.01 0.00 0.00 0.00 0.00 23.12 19.97 2rj3 s ALA 2157CO 0.01 -0.91 0.17 0.45 0.00 0.00 0.00 175.76 175.48 2rj3 s SER 2158N 1.54 5.61 -0.05 0.00 0.15 -0.68 -1.81 113.70 118.46 2rj3 s SER 2158Ca 0.26 -0.76 0.01 0.00 0.70 0.00 0.00 55.95 56.16 2rj3 s SER 2158Cb -0.15 -2.00 -0.03 0.00 -1.71 0.00 0.00 66.02 62.12 2rj3 s SER 2158CO 0.10 -0.28 -0.06 -0.55 1.20 0.00 0.00 173.24 173.65 2rj3 s SER 2159N 1.58 4.72 0.52 5.45 0.15 -0.18 -1.59 113.70 124.36 2rj3 s SER 2159Ca 0.03 -0.03 0.31 0.00 0.70 0.00 0.00 55.95 56.96 2rj3 s SER 2159Cb -0.18 -1.18 1.20 0.00 -1.71 0.00 0.00 66.02 64.14 2rj3 s SER 2159CO 0.06 0.34 1.92 0.44 1.20 0.00 0.00 173.24 177.21 2rj3 h ASP 2160N 5.02 0.00 -3.39 5.45 3.45 -1.75 -3.39 116.42 121.80 2rj3 h ASP 2160Ca -0.49 0.00 -0.66 0.00 0.43 0.00 0.00 57.03 56.31 2rj3 h ASP 2160Cb 1.17 0.00 -0.19 0.00 -0.56 0.00 0.00 39.33 39.75 2rj3 h ASP 2160CO 0.53 0.05 -0.83 0.42 -1.57 0.00 0.00 179.24 177.84 2rj3 s THR 2161N -3.64 2.37 0.07 0.35 -4.23 -1.26 -4.99 115.64 104.31 2rj3 s THR 2161Ca 0.01 -1.93 0.08 0.00 -1.18 0.00 0.00 61.69 58.67 2rj3 s THR 2161Cb 0.09 -2.11 -0.16 0.00 1.34 0.00 0.00 72.50 71.66 2rj3 s THR 2161CO 0.57 -0.06 1.31 0.15 -0.54 0.00 0.00 174.62 176.06 2rj3 h PHE 2162N 3.39 0.00 0.00 3.99 3.04 -1.97 -3.38 116.94 122.01 2rj3 h PHE 2162Ca -0.48 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.47 2rj3 h PHE 2162Cb 1.20 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.71 2rj3 h PHE 2162CO 0.66 0.91 0.00 0.66 -2.02 0.00 0.00 178.31 178.52 2rj3 n TYR 2163N -3.34 0.00 -0.04 0.41 4.02 -1.26 -4.43 117.16 112.52 2rj3 n TYR 2163Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.82 2rj3 n TYR 2163Cb 0.90 0.00 0.11 0.00 -0.02 0.00 0.00 39.34 40.33 2rj3 n TYR 2163CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2rj3 h PRO 2164N 0.00 0.66 0.00 -0.72 0.13 -1.86 0.14 132.00 130.35 2rj3 h PRO 2164Ca 0.00 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2rj3 h PRO 2164Cb 0.00 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.11 2rj3 h PRO 2164CO 0.00 0.87 0.00 0.41 -0.23 0.00 0.00 178.00 179.05 2rj3 n GLY 2165N -0.20 -1.20 0.85 1.56 0.00 -1.26 -0.73 105.19 104.22 2rj3 n GLY 2165Ca -0.01 0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.10 2rj3 n GLY 2165CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2rj3 n GLN 2166N -1.88 3.00 -3.82 1.61 6.02 -1.06 -4.91 117.38 116.33 2rj3 n GLN 2166Ca 0.03 -2.55 -0.35 0.00 -0.01 0.00 0.00 57.00 54.13 2rj3 n GLN 2166Cb 0.23 -1.64 0.03 0.00 1.02 0.00 0.00 30.24 29.88 2rj3 n GLN 2166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2rj3 n GLU 2167N -0.00 -1.23 -3.69 -1.09 2.13 0.10 -4.93 120.64 111.93 2rj3 n GLU 2167Ca 0.18 0.35 -0.36 0.00 0.66 0.00 0.00 57.16 57.99 2rj3 n GLU 2167Cb 0.72 -3.77 -0.07 0.00 0.27 0.00 0.00 31.44 28.59 2rj3 n GLU 2167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2rj3 s ARG 2168N -6.44 4.02 -0.02 5.31 0.52 0.47 -4.99 118.95 117.82 2rj3 s ARG 2168Ca 0.41 -0.07 0.19 0.00 -0.52 0.00 0.00 55.73 55.75 2rj3 s ARG 2168Cb -0.17 -3.36 -0.28 0.00 0.52 0.00 0.00 34.95 31.67 2rj3 s ARG 2168CO 0.89 0.42 0.46 0.66 0.02 0.00 0.00 175.30 177.75 2rj3 n TYR 2169N 3.08 0.00 -0.66 -0.53 4.02 -1.26 -4.49 117.16 117.32 2rj3 n TYR 2169Ca -0.16 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.55 2rj3 n TYR 2169Cb 0.53 -0.37 -0.03 0.00 -0.02 0.00 0.00 39.34 39.45 2rj3 n TYR 2169CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 2rj3 n ASP 2170N -2.04 4.29 -3.45 7.72 5.75 -1.26 -4.19 116.55 123.37 2rj3 n ASP 2170Ca -0.02 -2.25 -0.20 0.00 -0.01 0.00 0.00 54.79 52.31 2rj3 n ASP 2170Cb 0.46 -1.00 -0.05 0.00 -1.03 0.00 0.00 41.12 39.50 2rj3 n ASP 2170CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2rj3 n THR 2171N 3.98 0.00 0.21 2.12 -2.24 -1.26 -5.03 114.28 112.05 2rj3 n THR 2171Ca 0.38 -1.66 -0.15 0.00 -2.27 0.00 0.00 64.05 60.35 2rj3 n THR 2171Cb 0.19 0.49 -0.08 0.00 -2.10 0.00 0.00 70.33 68.82 2rj3 n THR 2171CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 2rj3 h TYR 2172N 1.35 -0.43 0.00 4.78 5.03 -1.99 -3.25 116.97 122.46 2rj3 h TYR 2172Ca -0.25 -0.01 -0.16 0.00 2.58 0.00 0.00 58.73 60.89 2rj3 h TYR 2172Cb 0.86 0.14 -0.02 0.00 1.55 0.00 0.00 36.73 39.26 2rj3 h TYR 2172CO 0.00 -0.25 -0.83 0.66 -1.32 0.00 0.00 178.16 176.42 2rj3 h SER 2173N -0.49 0.00 -0.25 -2.11 4.64 -1.98 -3.47 113.55 109.88 2rj3 h SER 2173Ca -0.05 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.17 2rj3 h SER 2173Cb 0.38 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.42 2rj3 h SER 2173CO 0.08 0.70 -0.10 0.61 -0.87 0.00 0.00 176.83 177.25 2rj3 n GLY 2174N 1.30 0.70 3.44 -0.77 0.00 -1.23 -5.01 105.19 103.62 2rj3 n GLY 2174Ca -0.01 -0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 2rj3 n GLY 2174CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2rj3 s ARG 2175N -1.96 1.58 -0.09 1.61 1.70 -1.26 -4.91 118.95 115.62 2rj3 s ARG 2175Ca 0.00 -1.49 0.03 0.00 -0.47 0.00 0.00 55.73 53.79 2rj3 s ARG 2175Cb 0.00 -1.88 0.01 0.00 -0.57 0.00 0.00 34.95 32.51 2rj3 s ARG 2175CO 0.00 0.40 -0.17 0.08 -1.08 0.00 0.00 175.30 174.53 2rj3 s VAL 2176N -1.66 1.56 0.41 4.99 1.01 -1.26 -4.94 120.40 120.51 2rj3 s VAL 2176Ca 0.21 -0.71 -0.26 0.00 0.00 0.00 0.00 61.98 61.22 2rj3 s VAL 2176Cb -0.08 -1.39 -0.10 0.00 0.00 0.00 0.00 36.38 34.81 2rj3 s VAL 2176CO 0.10 0.45 1.22 0.55 0.00 0.00 0.00 175.10 177.43 2rj3 n VAL 2177N 3.80 2.49 -0.29 2.92 3.14 -1.26 -4.61 118.33 124.51 2rj3 n VAL 2177Ca -0.21 -0.50 -0.01 0.00 -2.96 0.00 0.00 64.34 60.67 2rj3 n VAL 2177Cb 0.52 -1.49 0.03 0.00 -1.06 0.00 0.00 33.84 31.85 2rj3 n VAL 2177CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2rj3 n ARG 2178N 0.11 -0.17 -0.30 1.45 0.63 -1.26 -0.75 116.66 116.36 2rj3 n ARG 2178Ca 0.07 1.16 0.14 0.00 -0.92 0.00 0.00 57.85 58.30 2rj3 n ARG 2178Cb 0.39 -1.72 0.31 0.00 0.45 0.00 0.00 32.46 31.89 2rj3 n ARG 2178CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 2rj3 h ARG 2179N 0.00 0.20 -0.51 -0.14 2.43 -2.02 -1.58 114.38 112.77 2rj3 h ARG 2179Ca 0.27 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 2rj3 h ARG 2179Cb 0.45 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 2rj3 h ARG 2179CO -0.75 0.13 0.00 1.19 -1.51 0.00 0.00 179.97 179.04 2rj3 n PHE 2180N -5.22 0.67 -2.39 2.20 3.01 0.07 -4.77 117.46 111.03 2rj3 n PHE 2180Ca 0.22 -0.35 -0.43 0.00 1.01 0.00 0.00 57.45 57.91 2rj3 n PHE 2180Cb 0.72 -0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.16 2rj3 n PHE 2180CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2rj3 s LYS 2181N -1.28 3.81 -0.02 -1.08 2.20 -0.59 -2.53 119.74 120.24 2rj3 s LYS 2181Ca 0.42 1.16 0.00 0.00 -0.36 0.00 0.00 55.97 57.19 2rj3 s LYS 2181Cb 0.23 -3.93 0.00 0.00 -1.51 0.00 0.00 37.83 32.62 2rj3 s LYS 2181CO 0.32 -1.26 0.00 0.41 -0.36 0.00 0.00 175.35 174.45 2rj3 n GLY 2182N 4.56 0.44 0.18 5.54 0.00 -1.26 -4.96 105.19 109.70 2rj3 n GLY 2182Ca 0.15 -0.59 0.06 0.00 0.00 0.00 0.00 46.02 45.64 2rj3 n GLY 2182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2rj3 h SER 2183N 0.00 0.00 -0.14 1.61 4.64 -1.79 -3.16 113.55 114.70 2rj3 h SER 2183Ca -0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 2rj3 h SER 2183Cb 0.02 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2rj3 h SER 2183CO 0.01 0.38 -0.15 -0.03 -0.87 0.00 0.00 176.83 176.17 2rj3 h MET 2184N 0.00 0.35 -0.73 4.77 -1.53 -1.92 -1.98 114.93 113.90 2rj3 h MET 2184Ca -0.00 -0.19 0.11 0.00 -3.44 0.00 0.00 59.70 56.18 2rj3 h MET 2184Cb 1.05 0.01 -0.08 0.00 -0.55 0.00 0.00 31.60 32.03 2rj3 h MET 2184CO 0.05 0.74 0.33 1.49 0.14 0.00 0.00 176.91 179.66 2rj3 h GLU 2185N -0.03 0.52 0.20 0.39 4.22 -1.98 0.11 114.58 118.00 2rj3 h GLU 2185Ca 0.02 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 2rj3 h GLU 2185Cb 0.68 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 2rj3 h GLU 2185CO 0.04 0.34 -0.12 0.93 -2.18 0.00 0.00 179.01 178.01 2rj3 h GLU 2186N 0.53 -0.30 -0.82 1.92 5.08 -1.50 -0.96 114.58 118.53 2rj3 h GLU 2186Ca 0.38 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.73 2rj3 h GLU 2186Cb 0.48 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 2rj3 h GLU 2186CO -0.33 -0.20 0.41 -1.49 -1.00 0.00 0.00 179.01 176.41 2rj3 h TRP 2187N -0.31 1.16 -0.31 4.33 -0.00 -0.87 -1.25 115.95 118.70 2rj3 h TRP 2187Ca -0.02 -0.04 0.02 0.00 -0.00 0.00 0.00 58.89 58.85 2rj3 h TRP 2187Cb 0.26 -0.36 -0.02 0.00 -0.00 0.00 0.00 29.16 29.04 2rj3 h TRP 2187CO -0.09 0.82 0.16 1.96 -0.00 0.00 0.00 178.44 181.30 2rj3 h GLN 2188N 1.16 0.33 -0.47 0.49 4.20 -0.68 -0.91 115.11 119.23 2rj3 h GLN 2188Ca 0.28 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.95 2rj3 h GLN 2188Cb 0.08 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 2rj3 h GLN 2188CO -0.04 0.22 0.19 0.00 -0.67 0.00 0.00 178.83 178.53 2rj3 h ALA 2189N 1.15 1.46 0.00 3.87 0.00 -0.83 -2.01 119.26 122.90 2rj3 h ALA 2189Ca 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2rj3 h ALA 2189Cb 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2rj3 h ALA 2189CO -0.08 0.42 0.00 -1.33 0.00 0.00 0.00 179.25 178.26 2rj3 n MET 2190N -4.36 0.99 -0.77 0.00 2.81 -0.50 -4.90 117.12 110.39 2rj3 n MET 2190Ca 0.04 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 2rj3 n MET 2190Cb 0.15 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 2rj3 n MET 2190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2rj3 n GLY 2191N 0.94 0.66 3.72 3.03 0.00 -0.76 -5.02 105.19 107.77 2rj3 n GLY 2191Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 2rj3 n GLY 2191CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2rj3 n VAL 2192N -2.65 0.97 0.03 1.61 0.31 -0.41 -4.65 118.33 113.54 2rj3 n VAL 2192Ca 0.00 -0.24 -0.20 0.00 -0.01 0.00 0.00 64.34 63.89 2rj3 n VAL 2192Cb 0.00 -1.80 -0.14 0.00 -0.91 0.00 0.00 33.84 30.98 2rj3 n VAL 2192CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 2rj3 h MET 2193N 4.66 0.27 -2.72 5.55 0.00 -0.99 -3.43 114.93 118.26 2rj3 h MET 2193Ca -0.46 -0.45 0.09 0.00 0.00 0.00 0.00 59.70 58.88 2rj3 h MET 2193Cb 1.24 0.17 -0.08 0.00 0.00 0.00 0.00 31.60 32.93 2rj3 h MET 2193CO 0.79 1.22 0.33 0.54 0.00 0.00 0.00 176.91 179.78 2rj3 s ASN 2194N -6.92 -0.30 -0.14 1.22 4.22 -1.26 -1.69 114.94 110.07 2rj3 s ASN 2194Ca -0.15 -0.38 -0.06 0.00 -2.14 0.00 0.00 52.86 50.12 2rj3 s ASN 2194Cb 0.01 0.60 -0.04 0.00 1.28 0.00 0.00 41.25 43.10 2rj3 s ASN 2194CO 0.81 -1.08 0.07 -0.31 -2.04 0.00 0.00 177.10 174.55 2rj3 s TYR 2195N -3.62 3.32 0.23 1.54 2.02 -1.12 -0.47 117.35 119.25 2rj3 s TYR 2195Ca 0.09 0.22 0.02 0.00 -0.37 0.00 0.00 57.07 57.03 2rj3 s TYR 2195Cb -0.03 -1.97 -0.01 0.00 -0.40 0.00 0.00 41.96 39.55 2rj3 s TYR 2195CO 0.01 0.38 0.26 -0.85 -1.57 0.00 0.00 175.55 173.78 2rj3 n GLU 2196N 2.80 0.38 0.00 -0.62 -0.00 -0.75 -3.77 120.64 118.68 2rj3 n GLU 2196Ca -0.18 -2.09 0.00 0.00 -0.00 0.00 0.00 57.16 54.89 2rj3 n GLU 2196Cb 0.53 1.85 0.00 0.00 -0.00 0.00 0.00 31.44 33.82 2rj3 n GLU 2196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2rj3 n MET 2197N -0.41 1.58 0.00 3.44 2.81 -1.26 -1.01 117.12 122.27 2rj3 n MET 2197Ca 0.03 -1.04 0.00 0.00 -1.81 0.00 0.00 57.70 54.88 2rj3 n MET 2197Cb 0.41 -0.84 0.00 0.00 -0.71 0.00 0.00 33.22 32.08 2rj3 n MET 2197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2rj3 n GLU 2198N -0.28 2.56 -0.05 0.03 4.71 -1.26 -3.64 120.64 122.70 2rj3 n GLU 2198Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.16 57.00 2rj3 n GLU 2198Cb 0.29 -0.26 -0.07 0.00 -1.01 0.00 0.00 31.44 30.38 2rj3 n GLU 2198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2rj3 h SER 2199N 0.00 0.62 -0.95 1.62 4.64 -1.95 -2.77 113.55 114.75 2rj3 h SER 2199Ca 0.00 -0.57 0.12 0.00 -0.47 0.00 0.00 61.79 60.87 2rj3 h SER 2199Cb 0.00 -0.18 -0.08 0.00 -0.31 0.00 0.00 62.40 61.84 2rj3 h SER 2199CO 0.00 1.07 0.60 0.00 -0.87 0.00 0.00 176.83 177.64 2rj3 h ALA 2200N 0.56 1.63 -0.01 5.18 0.00 -1.89 0.27 119.26 125.01 2rj3 h ALA 2200Ca -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2rj3 h ALA 2200Cb 0.98 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2rj3 h ALA 2200CO 0.08 0.14 -0.01 1.15 0.00 0.00 0.00 179.25 180.61 2rj3 h THR 2201N 0.89 1.46 -0.11 0.00 2.02 -1.92 -2.68 112.91 112.56 2rj3 h THR 2201Ca 0.46 -1.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.28 2rj3 h THR 2201Cb 0.53 2.36 -0.01 0.00 -1.74 0.00 0.00 68.15 69.29 2rj3 h THR 2201CO -0.23 0.36 0.07 0.25 0.37 0.00 0.00 175.52 176.34 2rj3 h LEU 2202N -0.54 0.14 -0.07 2.58 5.85 -1.11 -1.96 115.31 120.20 2rj3 h LEU 2202Ca 0.00 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 2rj3 h LEU 2202Cb 0.59 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 2rj3 h LEU 2202CO 0.00 0.15 0.02 -0.07 -0.34 0.00 0.00 178.44 178.21 2rj3 h LEU 2203N 0.11 0.09 -0.17 2.25 4.07 -0.61 -2.31 115.31 118.75 2rj3 h LEU 2203Ca 0.04 -0.18 -0.01 0.00 0.08 0.00 0.00 57.88 57.82 2rj3 h LEU 2203Cb 0.04 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 2rj3 h LEU 2203CO -0.01 0.24 0.08 0.74 -1.08 0.00 0.00 178.44 178.41 2rj3 h THR 2204N -0.07 1.14 -0.08 0.22 2.02 -1.46 0.47 112.91 115.15 2rj3 h THR 2204Ca 0.02 -0.40 -0.09 0.00 0.77 0.00 0.00 66.41 66.72 2rj3 h THR 2204Cb 0.18 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 2rj3 h THR 2204CO -0.00 0.13 -0.35 0.00 0.37 0.00 0.00 175.52 175.66 2rj3 h MET 2205N 0.13 0.16 0.03 6.66 -0.00 -1.40 -2.19 114.93 118.33 2rj3 h MET 2205Ca 0.06 -0.06 -0.08 0.00 -0.00 0.00 0.00 59.70 59.62 2rj3 h MET 2205Cb 0.13 -0.01 0.01 0.00 -0.00 0.00 0.00 31.60 31.73 2rj3 h MET 2205CO -0.01 0.50 -0.32 0.00 -0.00 0.00 0.00 176.91 177.09 2rj3 h ALA 2207N 0.16 1.00 -0.08 0.00 0.00 -0.85 -0.53 119.26 118.96 2rj3 h ALA 2207Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2rj3 h ALA 2207Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2rj3 h ALA 2207CO 0.06 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.18 2rj3 n SER 2208N -2.73 2.67 -0.04 0.00 3.41 -0.83 -4.46 113.62 111.66 2rj3 n SER 2208Ca 0.00 -1.81 0.01 0.00 -0.26 0.00 0.00 58.87 56.81 2rj3 n SER 2208Cb 0.21 -0.04 0.01 0.00 -0.26 0.00 0.00 64.21 64.13 2rj3 n SER 2208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2rj3 n GLN 2209N 1.08 1.48 -1.59 4.33 6.02 -0.86 -5.00 117.38 122.83 2rj3 n GLN 2209Ca 0.12 -1.14 -0.03 0.00 -0.01 0.00 0.00 57.00 55.94 2rj3 n GLN 2209Cb 0.48 -0.80 -0.01 0.00 1.02 0.00 0.00 30.24 30.93 2rj3 n GLN 2209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2rj3 n GLY 2210N -0.33 0.42 3.67 1.08 0.00 -0.98 -5.04 105.19 104.00 2rj3 n GLY 2210Ca 0.01 -0.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.84 2rj3 n GLY 2210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rj3 s LEU 2211N -0.75 3.50 0.04 0.99 1.43 -0.26 -5.06 118.68 118.56 2rj3 s LEU 2211Ca 0.00 0.08 -0.22 0.00 -1.03 0.00 0.00 54.13 52.95 2rj3 s LEU 2211Cb 0.00 -1.85 -0.06 0.00 0.03 0.00 0.00 46.19 44.31 2rj3 s LEU 2211CO 0.00 0.35 0.67 -0.13 0.23 0.00 0.00 176.35 177.47 2rj3 s ARG 2212N -1.06 4.39 0.03 1.70 0.52 -0.28 -3.81 118.95 120.44 2rj3 s ARG 2212Ca 0.15 0.89 -0.00 0.00 -0.52 0.00 0.00 55.73 56.25 2rj3 s ARG 2212Cb -0.11 -3.33 -0.03 0.00 0.52 0.00 0.00 34.95 32.00 2rj3 s ARG 2212CO 0.04 0.39 -0.03 0.00 0.02 0.00 0.00 175.30 175.72 2rj3 s ALA 2213N -0.33 0.26 0.17 2.13 0.00 -1.26 -0.56 121.76 122.17 2rj3 s ALA 2213Ca 0.34 -0.76 -0.18 0.00 0.00 0.00 0.00 51.96 51.36 2rj3 s ALA 2213Cb -0.20 0.17 0.04 0.00 0.00 0.00 0.00 23.12 23.13 2rj3 s ALA 2213CO 0.20 -0.20 0.49 0.20 0.00 0.00 0.00 175.76 176.45 2rj3 s GLY 2214N -1.84 -0.22 -0.04 0.00 0.00 -0.68 -0.14 107.32 104.41 2rj3 s GLY 2214Ca -0.10 -0.08 -0.02 0.00 0.00 0.00 0.00 44.72 44.53 2rj3 s GLY 2214CO -0.03 -0.23 0.08 -0.29 0.00 0.00 0.00 173.10 172.63 2rj3 s MET 2215N -3.83 0.04 0.09 2.90 1.75 -1.26 -0.84 119.30 118.15 2rj3 s MET 2215Ca 0.06 0.23 0.10 0.00 -1.25 0.00 0.00 55.69 54.83 2rj3 s MET 2215Cb 0.00 -0.15 -0.03 0.00 2.84 0.00 0.00 34.83 37.49 2rj3 s MET 2215CO -0.07 -0.13 -0.26 0.54 -0.65 0.00 0.00 175.02 174.45 2rj3 s VAL 2216N 0.84 2.14 -0.15 10.11 0.11 -0.04 -1.69 120.40 131.71 2rj3 s VAL 2216Ca -0.07 -1.57 -0.10 0.00 -2.93 0.00 0.00 61.98 57.31 2rj3 s VAL 2216Cb -0.09 -1.87 0.05 0.00 -1.53 0.00 0.00 36.38 32.94 2rj3 s VAL 2216CO -0.03 0.19 0.37 0.00 -3.33 0.00 0.00 175.10 172.29 2rj3 s ALA 2217N -0.96 -0.93 0.06 1.54 0.00 0.15 -2.74 121.76 118.89 2rj3 s ALA 2217Ca 0.12 1.28 -0.21 0.00 0.00 0.00 0.00 51.96 53.14 2rj3 s ALA 2217Cb -0.10 -0.77 -0.06 0.00 0.00 0.00 0.00 23.12 22.19 2rj3 s ALA 2217CO 0.04 -0.22 0.64 0.20 0.00 0.00 0.00 175.76 176.42 2rj3 s GLY 2218N 0.95 2.71 -0.29 0.00 0.00 -0.86 0.05 107.32 109.88 2rj3 s GLY 2218Ca -0.06 0.12 -0.28 0.00 0.00 0.00 0.00 44.72 44.50 2rj3 s GLY 2218CO -0.07 0.71 1.04 0.14 0.00 0.00 0.00 173.10 174.92 2rj3 s VAL 2219N -0.67 4.59 -0.20 1.40 1.01 -0.56 -1.82 120.40 124.15 2rj3 s VAL 2219Ca 0.32 1.78 -0.18 0.00 0.00 0.00 0.00 61.98 63.91 2rj3 s VAL 2219Cb -0.20 -4.36 -0.20 0.00 0.00 0.00 0.00 36.38 31.63 2rj3 s VAL 2219CO 0.20 -0.36 0.17 2.30 0.00 0.00 0.00 175.10 177.41 2rj3 n ILE 2220N 5.67 1.58 -4.28 2.22 -5.35 -0.87 -2.99 119.36 115.35 2rj3 n ILE 2220Ca 0.11 -0.19 -0.15 0.00 -0.27 0.00 0.00 62.75 62.25 2rj3 n ILE 2220Cb 0.47 -1.95 -0.10 0.00 -1.74 0.00 0.00 39.64 36.31 2rj3 n ILE 2220CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 2rj3 s VAL 2221N -2.42 0.70 -0.10 7.28 -7.23 -1.24 -4.83 120.40 112.56 2rj3 s VAL 2221Ca -0.29 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 57.89 2rj3 s VAL 2221Cb 0.07 -2.33 0.02 0.00 0.56 0.00 0.00 36.38 34.71 2rj3 s VAL 2221CO 0.61 -0.30 -0.09 0.21 -0.31 0.00 0.00 175.10 175.23 2rj3 s ASN 2222N -3.24 2.01 0.15 4.85 3.84 -1.26 -1.67 114.94 119.62 2rj3 s ASN 2222Ca 0.29 -0.30 0.17 0.00 0.21 0.00 0.00 52.86 53.23 2rj3 s ASN 2222Cb 0.07 -0.83 0.75 0.00 -0.55 0.00 0.00 41.25 40.68 2rj3 s ASN 2222CO 0.08 -0.06 1.52 0.54 -2.79 0.00 0.00 177.10 176.39 2rj3 n ARG 2223N 4.52 0.09 -0.00 0.43 5.12 -0.07 -3.01 116.66 123.74 2rj3 n ARG 2223Ca -0.17 0.41 0.04 0.00 -1.93 0.00 0.00 57.85 56.21 2rj3 n ARG 2223Cb 0.51 -1.71 -0.06 0.00 -1.16 0.00 0.00 32.46 30.03 2rj3 n ARG 2223CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2rj3 n THR 2224N -1.89 0.00 -3.47 0.55 -2.24 -1.26 -5.03 114.28 100.94 2rj3 n THR 2224Ca 0.02 -0.24 -0.34 0.00 -2.27 0.00 0.00 64.05 61.22 2rj3 n THR 2224Cb 0.15 0.57 -0.05 0.00 -2.10 0.00 0.00 70.33 68.89 2rj3 n THR 2224CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2rj3 s GLN 2225N -2.31 3.84 0.01 -0.78 -0.21 -1.16 -5.02 119.66 114.03 2rj3 s GLN 2225Ca -0.01 0.30 -0.15 0.00 0.02 0.00 0.00 55.36 55.51 2rj3 s GLN 2225Cb 0.06 -2.88 -0.34 0.00 1.00 0.00 0.00 33.01 30.84 2rj3 s GLN 2225CO 0.37 0.47 0.91 0.37 -2.12 0.00 0.00 175.29 175.29 2rj3 h GLN 2226N 3.33 0.49 -6.75 2.91 5.75 -1.96 -3.47 115.11 115.42 2rj3 h GLN 2226Ca -0.48 -0.84 -0.54 0.00 -0.15 0.00 0.00 58.65 56.64 2rj3 h GLN 2226Cb 1.19 0.31 0.08 0.00 1.07 0.00 0.00 27.48 30.13 2rj3 h GLN 2226CO 0.67 1.40 0.87 0.39 -2.65 0.00 0.00 178.83 179.52 2rj3 n GLU 2227N -3.73 2.64 -3.49 1.69 1.02 -1.26 -5.01 120.64 112.50 2rj3 n GLU 2227Ca -0.19 0.94 -0.35 0.00 -0.02 0.00 0.00 57.16 57.54 2rj3 n GLU 2227Cb 1.08 -2.72 -0.06 0.00 -0.02 0.00 0.00 31.44 29.72 2rj3 n GLU 2227CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2rj3 s ILE 2228N 0.18 5.00 0.58 -3.67 -5.25 -1.26 -4.93 121.20 111.84 2rj3 s ILE 2228Ca 0.66 0.62 -0.18 0.00 -0.99 0.00 0.00 60.65 60.76 2rj3 s ILE 2228Cb -0.52 -3.68 -0.07 0.00 2.95 0.00 0.00 42.46 41.14 2rj3 s ILE 2228CO 0.46 0.29 0.75 -2.65 -1.79 0.00 0.00 174.94 172.00 2rj3 n PRO 2229N 0.93 0.71 0.00 0.37 -0.02 -1.26 -5.00 135.00 130.73 2rj3 n PRO 2229Ca -0.07 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 2rj3 n PRO 2229Cb 0.52 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 2rj3 n PRO 2229CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2rj3 n ASN 2230N -0.09 -0.25 -0.49 2.55 6.94 -1.26 -4.83 115.26 117.83 2rj3 n ASN 2230Ca 0.13 -0.29 0.41 0.00 -0.02 0.00 0.00 54.58 54.81 2rj3 n ASN 2230Cb 0.47 0.00 0.69 0.00 -2.36 0.00 0.00 39.78 38.58 2rj3 n ASN 2230CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2rj3 h ALA 2231N -2.00 2.93 -2.33 -2.53 0.00 -2.06 -3.37 119.26 109.91 2rj3 h ALA 2231Ca 0.00 0.11 -0.47 0.00 0.00 0.00 0.00 54.91 54.56 2rj3 h ALA 2231Cb 0.00 0.24 -0.15 0.00 0.00 0.00 0.00 17.79 17.88 2rj3 h ALA 2231CO 0.00 -1.61 -0.74 -1.83 0.00 0.00 0.00 179.25 175.07 2rj3 s GLU 2232N -5.23 1.34 0.00 0.00 4.04 -1.26 -5.10 118.70 112.48 2rj3 s GLU 2232Ca -0.07 -1.57 0.00 0.00 0.04 0.00 0.00 54.97 53.37 2rj3 s GLU 2232Cb 0.31 -1.19 0.00 0.00 0.02 0.00 0.00 34.13 33.27 2rj3 s GLU 2232CO 0.83 0.21 0.00 2.41 -1.84 0.00 0.00 175.26 176.87 2rj3 n THR 2233N -0.29 0.00 -0.13 1.83 -1.04 -1.26 -4.93 114.28 108.46 2rj3 n THR 2233Ca -0.09 0.20 -0.02 0.00 -2.04 0.00 0.00 64.05 62.10 2rj3 n THR 2233Cb 0.60 -1.13 -0.02 0.00 -1.82 0.00 0.00 70.33 67.96 2rj3 n THR 2233CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 2rj3 n MET 2234N -2.04 0.30 0.00 -2.82 2.81 -1.26 -4.43 117.12 109.67 2rj3 n MET 2234Ca 0.00 -0.27 0.00 0.00 -1.81 0.00 0.00 57.70 55.62 2rj3 n MET 2234Cb 0.00 -1.69 0.00 0.00 -0.71 0.00 0.00 33.22 30.82 2rj3 n MET 2234CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 2rj3 n GLN 2236N 3.40 0.00 0.09 0.03 -0.06 -1.26 -2.18 117.38 117.40 2rj3 n GLN 2236Ca 0.06 0.00 -0.07 0.00 -2.00 0.00 0.00 57.00 54.99 2rj3 n GLN 2236Cb 0.09 0.00 0.01 0.00 -4.06 0.00 0.00 30.24 26.29 2rj3 n GLN 2236CO 0.00 0.00 0.00 1.79 -0.20 0.00 0.00 177.06 178.65 2rj3 h THR 2237N 0.00 1.49 -0.25 1.69 1.35 -1.94 -3.22 112.91 112.03 2rj3 h THR 2237Ca 0.00 -2.57 0.06 0.00 -0.55 0.00 0.00 66.41 63.35 2rj3 h THR 2237Cb 0.00 2.42 -0.05 0.00 -1.73 0.00 0.00 68.15 68.78 2rj3 h THR 2237CO 0.00 0.75 -0.10 -0.08 -0.25 0.00 0.00 175.52 175.84 2rj3 h GLU 2238N 0.10 -0.05 0.00 4.72 4.57 -1.73 -2.57 114.58 119.61 2rj3 h GLU 2238Ca -0.03 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.09 2rj3 h GLU 2238Cb 1.45 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 30.04 2rj3 h GLU 2238CO 0.12 -0.04 -0.27 0.66 -1.18 0.00 0.00 179.01 178.31 2rj3 h SER 2239N -0.06 0.00 -0.11 1.04 4.64 -1.83 -2.92 113.55 114.31 2rj3 h SER 2239Ca 0.13 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.41 2rj3 h SER 2239Cb 0.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2rj3 h SER 2239CO -0.29 0.27 -0.11 0.45 -0.87 0.00 0.00 176.83 176.28 2rj3 h HIS 2240N 0.00 0.32 -0.27 4.77 3.86 -1.49 -1.49 115.15 120.85 2rj3 h HIS 2240Ca -0.00 -0.10 -0.04 0.00 -1.16 0.00 0.00 60.37 59.07 2rj3 h HIS 2240Cb 0.79 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 29.17 2rj3 h HIS 2240CO 0.00 0.68 -0.01 0.00 0.86 0.00 0.00 177.93 179.46 2rj3 h ALA 2241N 0.59 1.49 -0.35 2.45 0.00 -1.43 0.24 119.26 122.25 2rj3 h ALA 2241Ca 0.02 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 2rj3 h ALA 2241Cb 0.62 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2rj3 h ALA 2241CO 0.03 0.37 -0.34 0.28 0.00 0.00 0.00 179.25 179.58 2rj3 h VAL 2242N 0.39 1.28 -0.59 0.00 2.07 -1.50 -0.93 116.25 116.97 2rj3 h VAL 2242Ca 0.09 -1.51 -0.09 0.00 0.82 0.00 0.00 66.70 66.00 2rj3 h VAL 2242Cb 0.28 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 2rj3 h VAL 2242CO 0.01 0.50 0.01 0.50 0.02 0.00 0.00 177.57 178.60 2rj3 h LYS 2243N 0.63 1.04 -0.33 1.57 3.64 -0.61 -1.81 116.57 120.71 2rj3 h LYS 2243Ca 0.06 -0.33 -0.00 0.00 -1.27 0.00 0.00 60.65 59.10 2rj3 h LYS 2243Cb 0.93 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.64 2rj3 h LYS 2243CO 0.09 1.02 0.19 0.82 -2.27 0.00 0.00 179.45 179.30 2rj3 h ILE 2244N 0.94 1.12 -0.08 2.00 2.04 -0.48 -0.72 117.51 122.34 2rj3 h ILE 2244Ca 0.17 -0.31 -0.12 0.00 1.00 0.00 0.00 64.86 65.60 2rj3 h ILE 2244Cb 0.55 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 2rj3 h ILE 2244CO 0.03 0.12 -0.50 1.62 0.00 0.00 0.00 178.15 179.42 2rj3 h VAL 2245N 0.41 1.35 -0.27 1.67 3.04 -1.06 0.09 116.25 121.49 2rj3 h VAL 2245Ca 0.12 -1.74 -0.13 0.00 -1.01 0.00 0.00 66.70 63.93 2rj3 h VAL 2245Cb 0.03 1.85 -0.00 0.00 -2.01 0.00 0.00 31.29 31.16 2rj3 h VAL 2245CO -0.02 0.51 -0.33 0.58 -1.01 0.00 0.00 177.57 177.30 2rj3 h VAL 2246N 0.16 1.31 -0.24 1.51 2.07 -1.24 -2.16 116.25 117.65 2rj3 h VAL 2246Ca 0.01 -1.52 -0.10 0.00 0.82 0.00 0.00 66.70 65.90 2rj3 h VAL 2246Cb 0.95 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 2rj3 h VAL 2246CO 0.08 0.48 -0.29 -0.08 0.02 0.00 0.00 177.57 177.78 2rj3 h GLU 2247N 0.43 0.48 -0.39 1.57 4.57 -0.90 -2.81 114.58 117.52 2rj3 h GLU 2247Ca 0.03 -0.19 -0.12 0.00 -1.18 0.00 0.00 59.36 57.90 2rj3 h GLU 2247Cb 0.92 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.47 2rj3 h GLU 2247CO 0.08 0.72 -0.24 0.00 -1.18 0.00 0.00 179.01 178.39 2rj3 h ALA 2248N 1.28 0.84 -0.86 2.92 0.00 -0.98 -3.09 119.26 119.37 2rj3 h ALA 2248Ca 0.06 -0.38 0.08 0.00 0.00 0.00 0.00 54.91 54.67 2rj3 h ALA 2248Cb 0.72 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 2rj3 h ALA 2248CO 0.05 0.64 0.52 0.00 0.00 0.00 0.00 179.25 180.46 2rj3 h ALA 2249N 1.04 1.22 -0.71 0.00 0.00 -1.13 -2.70 119.26 116.98 2rj3 h ALA 2249Ca 0.09 0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.15 2rj3 h ALA 2249Cb 0.76 -0.19 -0.09 0.00 0.00 0.00 0.00 17.79 18.27 2rj3 h ALA 2249CO 0.06 0.20 0.24 0.00 0.00 0.00 0.00 179.25 179.74 2rj3 h ARG 2250N 0.90 0.36 0.00 0.00 3.08 -1.44 -1.22 114.38 116.06 2rj3 h ARG 2250Ca 0.40 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.43 2rj3 h ARG 2250Cb 0.29 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.26 2rj3 h ARG 2250CO -0.21 0.24 0.00 0.54 -1.07 0.00 0.00 179.97 179.46 2rj3 n ARG 2251N -5.06 0.34 0.00 0.04 1.74 -1.02 -3.37 116.66 109.34 2rj3 n ARG 2251Ca 0.13 0.06 0.04 0.00 -0.77 0.00 0.00 57.85 57.31 2rj3 n ARG 2251Cb 0.39 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.37 2rj3 n ARG 2251CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2rj3 n LEU 2252N -1.28 1.72 -0.20 0.55 4.77 -0.47 -5.06 117.00 117.03 2rj3 n LEU 2252Ca 0.11 -0.99 0.15 0.00 -0.03 0.00 0.00 56.01 55.25 2rj3 n LEU 2252Cb 0.19 0.00 0.77 0.00 -2.33 0.00 0.00 43.42 42.05 2rj3 n LEU 2252CO 0.18 0.34 1.01 0.18 -1.33 0.00 0.00 177.39 177.77