#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ynt s LEU 2004N 0.00 3.79 -0.37 1.53 1.02 -1.26 -5.01 118.68 118.38 1ynt s LEU 2004Ca 0.00 0.11 -0.04 0.00 0.02 0.00 0.00 54.13 54.21 1ynt s LEU 2004Cb 0.00 -1.94 0.20 0.00 0.02 0.00 0.00 46.19 44.47 1ynt s LEU 2004CO 0.00 0.22 1.02 0.54 0.02 0.00 0.00 176.35 178.15 1ynt s VAL 2005N 0.09 -0.36 0.23 -1.59 0.11 -1.26 -4.07 120.40 113.56 1ynt s VAL 2005Ca 0.05 -0.29 0.07 0.00 -2.93 0.00 0.00 61.98 58.88 1ynt s VAL 2005Cb -0.12 0.00 -0.04 0.00 -1.53 0.00 0.00 36.38 34.69 1ynt s VAL 2005CO 0.01 0.00 0.15 0.00 -3.33 0.00 0.00 175.10 171.92 1ynt s ALA 2006N 1.15 3.50 -0.51 1.54 0.00 -1.25 -4.56 121.76 121.63 1ynt s ALA 2006Ca 0.23 -1.40 -0.01 0.00 0.00 0.00 0.00 51.96 50.78 1ynt s ALA 2006Cb 0.09 -1.23 0.01 0.00 0.00 0.00 0.00 23.12 21.99 1ynt s ALA 2006CO -0.10 0.32 0.05 0.09 0.00 0.00 0.00 175.76 176.12 1ynt n ASN 2007N -0.89 -2.22 -3.06 0.00 4.13 -1.26 0.12 115.26 112.09 1ynt n ASN 2007Ca -0.08 0.28 -0.21 0.00 1.68 0.00 0.00 54.58 56.25 1ynt n ASN 2007Cb 0.57 -1.96 0.05 0.00 -1.54 0.00 0.00 39.78 36.90 1ynt n ASN 2007CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ynt n GLN 2008N -2.73 -5.93 -3.94 3.52 1.13 -1.26 -4.78 117.38 103.39 1ynt n GLN 2008Ca -0.05 0.80 -0.30 0.00 -1.94 0.00 0.00 57.00 55.51 1ynt n GLN 2008Cb 0.54 -5.57 -0.14 0.00 0.11 0.00 0.00 30.24 25.18 1ynt n GLN 2008CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1ynt s VAL 2009N -3.21 2.20 0.25 5.09 1.01 0.33 -2.90 120.40 123.17 1ynt s VAL 2009Ca 0.41 -2.69 -0.30 0.00 0.00 0.00 0.00 61.98 59.40 1ynt s VAL 2009Cb -0.18 -2.58 -0.10 0.00 0.00 0.00 0.00 36.38 33.52 1ynt s VAL 2009CO 0.51 -0.72 1.38 -0.69 0.00 0.00 0.00 175.10 175.58 1ynt s VAL 2010N 0.41 2.82 -0.16 2.92 1.01 -0.22 -3.75 120.40 123.44 1ynt s VAL 2010Ca 0.14 0.71 -0.02 0.00 0.00 0.00 0.00 61.98 62.82 1ynt s VAL 2010Cb -0.22 -3.45 0.05 0.00 0.00 0.00 0.00 36.38 32.75 1ynt s VAL 2010CO -0.05 0.12 -0.01 -0.89 0.00 0.00 0.00 175.10 174.27 1ynt s THR 2011N -0.18 0.74 0.23 3.92 2.01 -1.26 -2.23 115.64 118.87 1ynt s THR 2011Ca 0.57 -0.46 -0.30 0.00 0.31 0.00 0.00 61.69 61.81 1ynt s THR 2011Cb -0.40 -1.04 -0.09 0.00 0.01 0.00 0.00 72.50 70.98 1ynt s THR 2011CO 0.44 0.02 1.14 0.00 -0.69 0.00 0.00 174.62 175.52 1ynt s PRO 2013N -0.84 3.17 -1.28 0.00 0.04 -1.26 -4.25 135.00 130.58 1ynt s PRO 2013Ca 0.48 -0.59 -0.18 0.00 0.04 0.00 0.00 61.00 60.75 1ynt s PRO 2013Cb -0.32 -2.88 0.03 0.00 0.04 0.00 0.00 34.50 31.38 1ynt s PRO 2013CO 0.39 0.57 1.85 -0.25 0.04 0.00 0.00 177.00 179.60 1ynt n ASP 2014N 0.22 4.38 0.00 6.66 10.43 -1.26 -4.81 116.55 132.18 1ynt n ASP 2014Ca -0.07 -2.86 0.00 0.00 2.57 0.00 0.00 54.79 54.43 1ynt n ASP 2014Cb 0.52 -1.71 0.00 0.00 1.84 0.00 0.00 41.12 41.77 1ynt n ASP 2014CO 0.00 0.00 0.00 2.29 -1.07 0.00 0.00 177.20 178.42 1ynt n LYS 2015N 8.02 0.00 -1.55 -1.24 2.85 -1.26 -5.07 118.16 119.91 1ynt n LYS 2015Ca 0.49 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 57.37 1ynt n LYS 2015Cb 0.45 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.79 1ynt n LYS 2015CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1ynt n LYS 2016N -0.30 1.13 -3.81 -1.58 3.00 -1.26 -4.50 118.16 110.84 1ynt n LYS 2016Ca 0.00 0.08 -0.15 0.00 -0.00 0.00 0.00 58.31 58.24 1ynt n LYS 2016Cb 0.00 -3.31 -0.16 0.00 0.00 0.00 0.00 35.03 31.56 1ynt n LYS 2016CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1ynt s SER 2017N 11.45 0.11 0.50 3.14 1.04 -1.25 -4.99 113.70 123.70 1ynt s SER 2017Ca 1.00 0.02 0.09 0.00 0.48 0.00 0.00 55.95 57.55 1ynt s SER 2017Cb -0.26 -0.08 0.05 0.00 0.10 0.00 0.00 66.02 65.83 1ynt s SER 2017CO 0.29 -0.10 0.69 -0.89 0.98 0.00 0.00 173.24 174.21 1ynt s THR 2018N 0.87 2.52 0.01 2.02 2.01 -1.26 -3.03 115.64 118.77 1ynt s THR 2018Ca -0.07 -1.01 -0.29 0.00 0.31 0.00 0.00 61.69 60.62 1ynt s THR 2018Cb -0.11 -2.53 0.11 0.00 0.01 0.00 0.00 72.50 69.98 1ynt s THR 2018CO -0.02 0.00 1.20 0.00 -0.69 0.00 0.00 174.62 175.10 1ynt s ALA 2019N -2.53 -2.08 -0.27 7.40 0.00 -1.14 -4.92 121.76 118.22 1ynt s ALA 2019Ca 0.58 0.64 -0.22 0.00 0.00 0.00 0.00 51.96 52.97 1ynt s ALA 2019Cb -0.08 0.39 0.07 0.00 0.00 0.00 0.00 23.12 23.51 1ynt s ALA 2019CO 0.36 -1.01 0.71 0.00 0.00 0.00 0.00 175.76 175.82 1ynt s ALA 2020N -2.64 -1.81 0.02 0.00 0.00 -1.26 -1.11 121.76 114.95 1ynt s ALA 2020Ca 0.13 2.17 0.02 0.00 0.00 0.00 0.00 51.96 54.28 1ynt s ALA 2020Cb 0.03 -1.27 -0.01 0.00 0.00 0.00 0.00 23.12 21.87 1ynt s ALA 2020CO -0.03 -0.35 -0.07 0.08 0.00 0.00 0.00 175.76 175.39 1ynt s VAL 2021N 0.83 0.53 -0.05 0.00 1.01 -0.59 -4.95 120.40 117.17 1ynt s VAL 2021Ca -0.04 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.35 1ynt s VAL 2021Cb -0.05 -0.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.79 1ynt s VAL 2021CO -0.07 -0.08 -0.14 -0.63 0.00 0.00 0.00 175.10 174.19 1ynt s ILE 2022N -0.67 3.10 -0.21 2.22 -1.09 -1.26 -1.35 121.20 121.95 1ynt s ILE 2022Ca -0.03 -0.71 -0.08 0.00 -2.23 0.00 0.00 60.65 57.60 1ynt s ILE 2022Cb -0.06 -2.22 -0.04 0.00 -1.58 0.00 0.00 42.46 38.56 1ynt s ILE 2022CO 0.00 0.59 0.09 -0.76 -1.23 0.00 0.00 174.94 173.63 1ynt s LEU 2023N -0.71 3.87 0.39 2.97 1.43 0.21 -4.96 118.68 121.87 1ynt s LEU 2023Ca 0.11 0.06 0.06 0.00 -1.03 0.00 0.00 54.13 53.33 1ynt s LEU 2023Cb -0.11 -2.00 -0.07 0.00 0.03 0.00 0.00 46.19 44.04 1ynt s LEU 2023CO 0.01 0.12 0.02 0.42 0.23 0.00 0.00 176.35 177.15 1ynt s THR 2024N 0.68 1.74 -1.01 5.49 -4.23 -1.06 -2.43 115.64 114.82 1ynt s THR 2024Ca 0.05 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 58.77 1ynt s THR 2024Cb -0.13 -2.90 0.18 0.00 1.34 0.00 0.00 72.50 70.99 1ynt s THR 2024CO 0.02 0.00 1.69 -0.81 -0.54 0.00 0.00 174.62 174.97 1ynt n PRO 2025N -0.91 0.01 -0.00 3.99 -0.04 -1.26 -0.42 135.00 136.37 1ynt n PRO 2025Ca -0.05 0.13 0.10 0.00 -0.04 0.00 0.00 63.50 63.64 1ynt n PRO 2025Cb 0.67 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.51 1ynt n PRO 2025CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ynt n THR 2026N -1.50 0.00 -2.90 0.52 -2.24 -1.26 -4.59 114.28 102.31 1ynt n THR 2026Ca 0.05 -0.04 -0.12 0.00 -2.27 0.00 0.00 64.05 61.67 1ynt n THR 2026Cb 0.25 0.96 0.05 0.00 -2.10 0.00 0.00 70.33 69.49 1ynt n THR 2026CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ynt n GLU 2027N -1.51 1.01 0.00 -0.78 1.02 -0.65 -4.94 120.64 114.79 1ynt n GLU 2027Ca 0.04 -2.47 0.03 0.00 -0.02 0.00 0.00 57.16 54.74 1ynt n GLU 2027Cb 0.32 -1.26 0.19 0.00 -0.02 0.00 0.00 31.44 30.67 1ynt n GLU 2027CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1ynt n ASN 2028N 0.31 0.00 -4.77 1.62 6.94 0.44 -2.56 115.26 117.24 1ynt n ASN 2028Ca 0.13 -1.59 -0.30 0.00 -0.02 0.00 0.00 54.58 52.80 1ynt n ASN 2028Cb 0.69 0.00 0.11 0.00 -2.36 0.00 0.00 39.78 38.22 1ynt n ASN 2028CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1ynt s HIS 2029N -2.00 2.64 -0.22 -2.53 2.46 -1.26 -3.19 115.29 111.19 1ynt s HIS 2029Ca 0.10 1.18 -0.29 0.00 0.47 0.00 0.00 55.06 56.52 1ynt s HIS 2029Cb 0.05 -3.14 0.15 0.00 -0.13 0.00 0.00 32.58 29.50 1ynt s HIS 2029CO 0.08 -2.00 1.13 0.12 -2.47 0.00 0.00 174.74 171.60 1ynt s PHE 2030N -3.08 -0.27 -0.29 3.88 5.99 -1.23 -4.90 117.98 118.08 1ynt s PHE 2030Ca 0.62 0.51 -0.12 0.00 0.00 0.00 0.00 56.93 57.94 1ynt s PHE 2030Cb -0.16 0.45 0.11 0.00 0.00 0.00 0.00 43.02 43.43 1ynt s PHE 2030CO 0.55 -0.22 0.65 0.99 -0.00 0.00 0.00 175.22 177.19 1ynt s THR 2031N -0.82 -0.68 -0.11 0.12 2.01 -1.14 -2.69 115.64 112.33 1ynt s THR 2031Ca 0.02 0.01 -0.02 0.00 0.31 0.00 0.00 61.69 62.01 1ynt s THR 2031Cb -0.02 -0.99 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 1ynt s THR 2031CO -0.03 0.00 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.64 1ynt s LEU 2032N 2.50 3.29 -0.32 4.42 2.96 0.33 -1.05 118.68 130.82 1ynt s LEU 2032Ca -0.07 -0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 53.79 1ynt s LEU 2032Cb -0.10 -1.76 0.13 0.00 0.50 0.00 0.00 46.19 44.96 1ynt s LEU 2032CO -0.19 0.27 0.23 -0.54 -1.32 0.00 0.00 176.35 174.81 1ynt s LYS 2033N -0.27 0.37 0.40 1.98 1.02 -0.95 0.70 119.74 123.00 1ynt s LYS 2033Ca 0.05 -0.64 -0.08 0.00 0.02 0.00 0.00 55.97 55.32 1ynt s LYS 2033Cb -0.13 -0.98 -0.05 0.00 -0.52 0.00 0.00 37.83 36.15 1ynt s LYS 2033CO 0.02 -1.09 0.73 0.00 -0.92 0.00 0.00 175.35 174.09 1ynt n PRO 2035N -1.48 -0.64 0.16 0.00 -0.04 -1.26 -3.97 135.00 127.77 1ynt n PRO 2035Ca 0.01 -0.56 0.04 0.00 -0.04 0.00 0.00 63.50 62.96 1ynt n PRO 2035Cb 0.54 -1.35 0.08 0.00 -0.04 0.00 0.00 33.50 32.73 1ynt n PRO 2035CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1ynt h LYS 2036N 0.00 0.00 0.00 0.54 3.64 -1.93 -3.40 116.57 115.42 1ynt h LYS 2036Ca -0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1ynt h LYS 2036Cb 0.51 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1ynt h LYS 2036CO 0.09 0.40 -0.03 1.79 -2.27 0.00 0.00 179.45 179.43 1ynt h THR 2037N 0.00 0.00 -2.20 1.00 1.35 -1.90 -3.49 112.91 107.67 1ynt h THR 2037Ca -0.00 -0.08 -0.27 0.00 -0.55 0.00 0.00 66.41 65.50 1ynt h THR 2037Cb 1.28 0.00 0.15 0.00 -1.73 0.00 0.00 68.15 67.85 1ynt h THR 2037CO 0.05 0.00 -0.30 0.00 -0.25 0.00 0.00 175.52 175.03 1ynt n ALA 2038N -2.29 -1.83 -2.32 6.62 0.00 -1.26 -5.05 120.51 114.38 1ynt n ALA 2038Ca -0.00 -1.23 -0.08 0.00 0.00 0.00 0.00 53.44 52.13 1ynt n ALA 2038Cb 0.02 -1.07 -0.10 0.00 0.00 0.00 0.00 19.45 18.29 1ynt n ALA 2038CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ynt s LEU 2039N -1.68 2.36 0.40 0.00 1.43 0.22 -4.81 118.68 116.60 1ynt s LEU 2039Ca 0.44 -0.86 -0.24 0.00 -1.03 0.00 0.00 54.13 52.44 1ynt s LEU 2039Cb -0.08 0.24 -0.12 0.00 0.03 0.00 0.00 46.19 46.26 1ynt s LEU 2039CO 0.41 -0.54 0.87 0.35 0.23 0.00 0.00 176.35 177.66 1ynt n THR 2040N 0.43 2.22 0.12 5.49 -2.24 -1.26 -1.91 114.28 117.13 1ynt n THR 2040Ca -0.16 -0.50 -0.09 0.00 -2.27 0.00 0.00 64.05 61.03 1ynt n THR 2040Cb 0.60 -0.93 -0.05 0.00 -2.10 0.00 0.00 70.33 67.85 1ynt n THR 2040CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1ynt h GLU 2041N 1.35 -0.45 -5.67 -0.78 4.57 -1.75 -3.02 114.58 108.83 1ynt h GLU 2041Ca -0.42 0.03 -0.63 0.00 -1.18 0.00 0.00 59.36 57.16 1ynt h GLU 2041Cb 1.36 0.10 -0.13 0.00 -0.16 0.00 0.00 28.75 29.92 1ynt h GLU 2041CO 0.56 -0.30 1.16 -1.25 -1.18 0.00 0.00 179.01 177.99 1ynt s PRO 2042N -4.44 3.54 0.26 0.92 0.04 -1.26 -4.82 135.00 129.25 1ynt s PRO 2042Ca -0.09 -1.29 -0.05 0.00 0.04 0.00 0.00 61.00 59.61 1ynt s PRO 2042Cb 0.02 -5.05 0.48 0.00 0.04 0.00 0.00 34.50 30.00 1ynt s PRO 2042CO 0.31 -2.02 1.43 -2.30 0.04 0.00 0.00 177.00 174.46 1ynt n PRO 2043N 7.95 -0.08 -0.35 0.56 -0.02 -1.14 0.25 135.00 142.17 1ynt n PRO 2043Ca 0.25 1.42 0.33 0.00 -2.02 0.00 0.00 63.50 63.48 1ynt n PRO 2043Cb 0.50 -2.15 0.59 0.00 -0.02 0.00 0.00 33.50 32.42 1ynt n PRO 2043CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1ynt n THR 2044N -5.46 -0.35 0.08 3.45 -2.24 -1.26 0.35 114.28 108.86 1ynt n THR 2044Ca 0.16 1.86 0.20 0.00 -2.27 0.00 0.00 64.05 64.00 1ynt n THR 2044Cb 0.51 -3.03 0.75 0.00 -2.10 0.00 0.00 70.33 66.46 1ynt n THR 2044CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1ynt h LEU 2045N 0.00 0.00 -1.61 3.22 5.85 0.32 -0.50 115.31 122.60 1ynt h LEU 2045Ca 0.82 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.54 1ynt h LEU 2045Cb 2.33 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.36 1ynt h LEU 2045CO -0.64 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 177.46 1ynt n ALA 2046N -2.37 2.48 -2.57 1.25 0.00 0.16 -4.85 120.51 114.61 1ynt n ALA 2046Ca 0.07 -0.71 -0.23 0.00 0.00 0.00 0.00 53.44 52.58 1ynt n ALA 2046Cb 0.61 -0.99 -0.14 0.00 0.00 0.00 0.00 19.45 18.93 1ynt n ALA 2046CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1ynt s TYR 2047N -1.70 1.46 -1.39 0.00 1.51 -0.19 -2.22 117.35 114.82 1ynt s TYR 2047Ca 0.34 -0.34 0.00 0.00 -1.01 0.00 0.00 57.07 56.06 1ynt s TYR 2047Cb 0.20 -0.88 0.00 0.00 -0.11 0.00 0.00 41.96 41.17 1ynt s TYR 2047CO 0.29 0.05 0.69 0.45 -1.11 0.00 0.00 175.55 175.91 1ynt n SER 2048N 2.02 0.00 0.00 2.29 2.88 -1.26 -4.06 113.62 115.49 1ynt n SER 2048Ca -0.17 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1ynt n SER 2048Cb 0.54 -0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 1ynt n SER 2048CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1ynt n PRO 2049N -1.19 0.00 -2.87 -1.46 -0.02 -1.26 -4.70 135.00 123.50 1ynt n PRO 2049Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.09 1ynt n PRO 2049Cb 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.50 1ynt n PRO 2049CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1ynt n ASN 2050N 0.00 6.41 -3.85 2.55 0.23 -1.26 -5.02 115.26 114.31 1ynt n ASN 2050Ca 0.00 -3.57 -0.52 0.00 -0.53 0.00 0.00 54.58 49.96 1ynt n ASN 2050Cb 0.00 -1.10 -0.07 0.00 -2.08 0.00 0.00 39.78 36.53 1ynt n ASN 2050CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1ynt n ARG 2051N 0.50 0.00 -4.41 -3.83 5.12 -1.26 -4.85 116.66 107.93 1ynt n ARG 2051Ca 0.36 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 56.04 1ynt n ARG 2051Cb 0.31 -1.27 -0.10 0.00 -1.16 0.00 0.00 32.46 30.25 1ynt n ARG 2051CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1ynt s GLN 2052N 0.61 1.81 -0.12 5.56 -0.21 -1.26 -4.34 119.66 121.72 1ynt s GLN 2052Ca 0.80 -1.63 -0.04 0.00 0.02 0.00 0.00 55.36 54.51 1ynt s GLN 2052Cb -1.12 -1.89 0.06 0.00 1.00 0.00 0.00 33.01 31.06 1ynt s GLN 2052CO 0.53 0.35 0.14 0.96 -2.12 0.00 0.00 175.29 175.16 1ynt s ILE 2053N -2.31 -0.22 0.49 1.08 -0.00 -0.96 -3.84 121.20 115.44 1ynt s ILE 2053Ca 0.29 0.17 -0.20 0.00 -0.00 0.00 0.00 60.65 60.90 1ynt s ILE 2053Cb -0.06 -0.41 -0.11 0.00 -0.00 0.00 0.00 42.46 41.88 1ynt s ILE 2053CO 0.15 -0.01 0.44 0.00 -0.00 0.00 0.00 174.94 175.53 1ynt s PRO 2055N -1.68 -1.93 0.32 0.00 0.04 -1.26 -1.79 135.00 128.70 1ynt s PRO 2055Ca 0.64 -0.04 -0.28 0.00 0.04 0.00 0.00 61.00 61.36 1ynt s PRO 2055Cb -0.53 -1.51 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 1ynt s PRO 2055CO 0.58 -4.18 1.06 0.00 0.04 0.00 0.00 177.00 174.50 1ynt s ALA 2056N -2.76 3.29 0.00 8.56 0.00 -1.26 -3.02 121.76 126.57 1ynt s ALA 2056Ca 0.71 0.80 0.00 0.00 0.00 0.00 0.00 51.96 53.46 1ynt s ALA 2056Cb -0.10 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1ynt s ALA 2056CO 0.56 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.60 1ynt n GLY 2057N 0.92 0.40 3.68 0.00 0.00 -1.26 -4.96 105.19 103.98 1ynt n GLY 2057Ca 0.01 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.67 1ynt n GLY 2057CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ynt s THR 2058N -2.00 5.03 0.33 2.61 -4.23 -1.23 -5.05 115.64 111.08 1ynt s THR 2058Ca 0.00 1.28 0.08 0.00 -1.18 0.00 0.00 61.69 61.87 1ynt s THR 2058Cb 0.00 -3.98 -0.04 0.00 1.34 0.00 0.00 72.50 69.82 1ynt s THR 2058CO 0.00 0.15 0.11 -0.89 -0.54 0.00 0.00 174.62 173.45 1ynt s THR 2059N 1.56 3.10 0.00 3.99 2.01 -1.26 -4.97 115.64 120.07 1ynt s THR 2059Ca 0.32 -1.74 0.00 0.00 0.31 0.00 0.00 61.69 60.57 1ynt s THR 2059Cb -0.16 -2.95 0.00 0.00 0.01 0.00 0.00 72.50 69.39 1ynt s THR 2059CO 0.12 -0.22 0.00 -0.24 -0.69 0.00 0.00 174.62 173.59 1ynt n SER 2060N -1.09 0.00 -2.99 3.53 2.88 -1.26 -4.77 113.62 109.91 1ynt n SER 2060Ca -0.04 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.39 1ynt n SER 2060Cb 0.61 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.05 1ynt n SER 2060CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ynt n SER 2061N 3.33 2.15 -1.66 -3.46 7.64 -1.26 -5.09 113.62 115.27 1ynt n SER 2061Ca 0.00 -1.76 -0.04 0.00 1.01 0.00 0.00 58.87 58.09 1ynt n SER 2061Cb 0.00 0.07 0.01 0.00 -1.01 0.00 0.00 64.21 63.28 1ynt n SER 2061CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ynt h THR 2063N 5.06 0.01 0.00 0.00 1.35 -1.98 0.65 112.91 118.00 1ynt h THR 2063Ca -0.46 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1ynt h THR 2063Cb 1.44 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 1ynt h THR 2063CO -0.17 0.00 -0.62 -1.54 -0.25 0.00 0.00 175.52 172.94 1ynt n SER 2064N -4.67 0.58 -0.33 5.36 3.41 -1.26 -4.28 113.62 112.43 1ynt n SER 2064Ca 0.41 -0.19 0.04 0.00 -0.26 0.00 0.00 58.87 58.87 1ynt n SER 2064Cb 1.61 0.34 0.03 0.00 -0.26 0.00 0.00 64.21 65.92 1ynt n SER 2064CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ynt n LYS 2065N -1.69 0.68 -0.81 4.33 5.02 0.22 -5.04 118.16 120.87 1ynt n LYS 2065Ca 0.04 -0.94 -0.34 0.00 -2.02 0.00 0.00 58.31 55.06 1ynt n LYS 2065Cb 0.37 -1.14 0.11 0.00 -0.02 0.00 0.00 35.03 34.35 1ynt n LYS 2065CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ynt n ALA 2066N 0.34 -3.97 -3.51 7.82 0.00 -0.80 -4.27 120.51 116.11 1ynt n ALA 2066Ca 0.05 -0.93 -0.14 0.00 0.00 0.00 0.00 53.44 52.42 1ynt n ALA 2066Cb 0.22 -1.48 -0.04 0.00 0.00 0.00 0.00 19.45 18.14 1ynt n ALA 2066CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1ynt s VAL 2067N -2.23 0.00 0.37 0.00 -7.23 -1.25 -4.92 120.40 105.14 1ynt s VAL 2067Ca 0.51 0.00 -0.25 0.00 -1.81 0.00 0.00 61.98 60.43 1ynt s VAL 2067Cb -0.14 -1.00 -0.09 0.00 0.56 0.00 0.00 36.38 35.71 1ynt s VAL 2067CO 0.69 0.00 1.05 0.42 -0.31 0.00 0.00 175.10 176.96 1ynt s THR 2068N -1.93 3.70 0.36 5.32 -4.23 -1.26 -2.27 115.64 115.33 1ynt s THR 2068Ca -0.04 1.39 0.12 0.00 -1.18 0.00 0.00 61.69 61.97 1ynt s THR 2068Cb -0.00 -3.76 0.34 0.00 1.34 0.00 0.00 72.50 70.42 1ynt s THR 2068CO 0.01 0.09 1.81 0.25 -0.54 0.00 0.00 174.62 176.24 1ynt h LEU 2069N 2.81 0.61 -1.43 4.79 5.85 -1.93 -0.86 115.31 125.16 1ynt h LEU 2069Ca -0.48 0.07 0.15 0.00 0.84 0.00 0.00 57.88 58.46 1ynt h LEU 2069Cb 1.21 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 42.14 1ynt h LEU 2069CO 0.63 0.22 0.54 0.28 -0.34 0.00 0.00 178.44 179.78 1ynt h SER 2070N 0.60 0.53 0.00 1.25 0.02 -1.90 -0.73 113.55 113.32 1ynt h SER 2070Ca 0.54 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.52 1ynt h SER 2070Cb 1.06 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.52 1ynt h SER 2070CO -0.29 0.27 0.00 -1.54 -1.14 0.00 0.00 176.83 174.13 1ynt n SER 2071N -4.52 0.03 0.08 3.07 3.41 -0.33 -0.60 113.62 114.77 1ynt n SER 2071Ca 0.16 -0.54 0.00 0.00 -0.26 0.00 0.00 58.87 58.23 1ynt n SER 2071Cb 0.51 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1ynt n SER 2071CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ynt n LEU 2072N -0.39 0.24 -4.02 1.04 4.77 -0.36 -4.89 117.00 113.39 1ynt n LEU 2072Ca 0.00 0.28 -0.40 0.00 -0.03 0.00 0.00 56.01 55.85 1ynt n LEU 2072Cb 0.01 0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 1ynt n LEU 2072CO 0.00 -0.71 0.81 -0.38 -1.33 0.00 0.00 177.39 175.78 1ynt n ILE 2073N -3.25 4.47 -0.20 -0.08 5.41 -0.73 -4.83 119.36 120.15 1ynt n ILE 2073Ca 0.00 -5.61 0.17 0.00 1.00 0.00 0.00 62.75 58.31 1ynt n ILE 2073Cb 0.00 -2.23 0.27 0.00 -0.71 0.00 0.00 39.64 36.96 1ynt n ILE 2073CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1ynt n PRO 2074N 1.69 0.00 -0.64 0.38 -0.04 0.24 0.73 135.00 137.36 1ynt n PRO 2074Ca 0.25 0.45 0.08 0.00 -0.04 0.00 0.00 63.50 64.25 1ynt n PRO 2074Cb 0.36 -1.09 0.34 0.00 -0.04 0.00 0.00 33.50 33.07 1ynt n PRO 2074CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1ynt n GLU 2075N -2.47 3.80 -0.84 0.54 1.02 -1.26 -4.87 120.64 116.56 1ynt n GLU 2075Ca 0.15 -2.67 -0.33 0.00 -0.02 0.00 0.00 57.16 54.28 1ynt n GLU 2075Cb 0.76 -1.95 0.13 0.00 -0.02 0.00 0.00 31.44 30.36 1ynt n GLU 2075CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ynt n ALA 2076N 0.88 -1.84 -3.45 0.62 0.00 0.22 -5.06 120.51 111.88 1ynt n ALA 2076Ca 0.24 -0.53 -0.16 0.00 0.00 0.00 0.00 53.44 52.99 1ynt n ALA 2076Cb 0.91 -1.94 -0.05 0.00 0.00 0.00 0.00 19.45 18.37 1ynt n ALA 2076CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ynt s GLU 2077N -3.82 1.11 0.50 0.00 0.41 -1.26 -4.90 118.70 110.75 1ynt s GLU 2077Ca 0.62 -0.03 0.24 0.00 -0.41 0.00 0.00 54.97 55.39 1ynt s GLU 2077Cb -0.24 0.52 1.34 0.00 -1.78 0.00 0.00 34.13 33.97 1ynt s GLU 2077CO 0.63 -0.40 2.05 0.22 -0.49 0.00 0.00 175.26 177.27 1ynt h ASP 2078N 2.70 0.00 -0.14 -0.19 3.58 -1.96 -2.70 116.42 117.72 1ynt h ASP 2078Ca -0.30 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.19 1ynt h ASP 2078Cb 1.20 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.24 1ynt h ASP 2078CO 0.39 0.14 0.32 0.77 -2.88 0.00 0.00 179.24 177.98 1ynt h SER 2079N 0.00 0.00 0.80 2.28 4.64 -1.97 0.48 113.55 119.78 1ynt h SER 2079Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ynt h SER 2079Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1ynt h SER 2079CO 0.02 0.00 0.00 0.79 -0.87 0.00 0.00 176.83 176.77 1ynt n TRP 2080N -3.26 0.00 -4.10 4.77 7.02 -1.02 -4.83 117.44 116.03 1ynt n TRP 2080Ca 0.01 0.00 -0.27 0.00 -1.02 0.00 0.00 57.50 56.22 1ynt n TRP 2080Cb 0.42 -0.42 -0.06 0.00 -2.42 0.00 0.00 31.31 28.83 1ynt n TRP 2080CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 1ynt s TRP 2081N -2.84 3.09 -0.46 -5.99 0.52 0.17 0.90 118.94 114.33 1ynt s TRP 2081Ca 0.19 -0.03 0.06 0.00 0.02 0.00 0.00 56.10 56.34 1ynt s TRP 2081Cb 0.19 -1.50 0.20 0.00 -1.15 0.00 0.00 33.47 31.20 1ynt s TRP 2081CO 0.48 0.52 0.57 2.41 0.02 0.00 0.00 176.95 180.95 1ynt n THR 2082N -0.17 -0.57 -3.56 2.01 -1.04 -0.85 -4.97 114.28 105.13 1ynt n THR 2082Ca -0.09 -2.38 -0.08 0.00 -2.04 0.00 0.00 64.05 59.46 1ynt n THR 2082Cb 0.54 -0.35 -0.02 0.00 -1.82 0.00 0.00 70.33 68.68 1ynt n THR 2082CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1ynt s GLY 2083N 0.01 -0.43 0.00 3.41 0.00 -1.26 -2.62 107.32 106.43 1ynt s GLY 2083Ca 0.32 0.68 0.00 0.00 0.00 0.00 0.00 44.72 45.72 1ynt s GLY 2083CO -0.14 0.22 0.00 2.09 0.00 0.00 0.00 173.10 175.27 1ynt n ASP 2084N -0.32 0.00 0.04 1.64 5.68 -1.24 -4.75 116.55 117.59 1ynt n ASP 2084Ca -0.09 -0.13 -0.22 0.00 -0.50 0.00 0.00 54.79 53.84 1ynt n ASP 2084Cb 0.62 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.46 1ynt n ASP 2084CO 0.00 0.00 0.00 -1.28 -1.33 0.00 0.00 177.20 174.59 1ynt h SER 2085N 0.00 0.51 0.00 -1.12 0.87 -1.82 -3.33 113.55 108.66 1ynt h SER 2085Ca 0.00 -0.90 0.00 0.00 -1.23 0.00 0.00 61.79 59.66 1ynt h SER 2085Cb 0.00 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.79 1ynt h SER 2085CO 0.00 1.67 0.00 0.00 -0.53 0.00 0.00 176.83 177.97 1ynt n ALA 2086N -2.89 1.42 -4.05 6.23 0.00 -1.26 -4.38 120.51 115.57 1ynt n ALA 2086Ca -0.23 -0.00 -0.32 0.00 0.00 0.00 0.00 53.44 52.89 1ynt n ALA 2086Cb 0.97 -1.01 -0.15 0.00 0.00 0.00 0.00 19.45 19.26 1ynt n ALA 2086CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ynt s SER 2087N -2.20 3.99 -0.33 0.00 0.01 -1.25 -4.92 113.70 109.00 1ynt s SER 2087Ca 0.00 -1.17 0.05 0.00 1.31 0.00 0.00 55.95 56.15 1ynt s SER 2087Cb 0.00 -1.44 0.21 0.00 0.21 0.00 0.00 66.02 65.00 1ynt s SER 2087CO 0.00 -0.16 1.18 0.18 0.41 0.00 0.00 173.24 174.85 1ynt n LEU 2088N 4.53 -1.40 0.00 2.44 4.77 -1.26 -4.09 117.00 121.98 1ynt n LEU 2088Ca -0.15 -2.50 0.00 0.00 -0.03 0.00 0.00 56.01 53.33 1ynt n LEU 2088Cb 0.44 0.48 0.00 0.00 -2.33 0.00 0.00 43.42 42.02 1ynt n LEU 2088CO 0.21 1.47 0.00 -0.90 -1.33 0.00 0.00 177.39 176.84 1ynt n ASP 2089N -0.58 0.00 0.00 -1.43 5.75 -1.25 -2.73 116.55 116.30 1ynt n ASP 2089Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.62 1ynt n ASP 2089Cb 0.73 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.82 1ynt n ASP 2089CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1ynt n THR 2090N 0.00 0.00 0.00 2.12 -2.24 -1.26 -5.06 114.28 107.84 1ynt n THR 2090Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ynt n THR 2090Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1ynt n THR 2090CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ynt n ALA 2091N -1.05 0.00 0.00 6.98 0.00 -1.26 -5.06 120.51 120.11 1ynt n ALA 2091Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ynt n ALA 2091Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ynt n ALA 2091CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ynt n GLY 2092N 2.46 0.57 2.73 0.00 0.00 -1.26 -4.77 105.19 104.91 1ynt n GLY 2092Ca 0.00 -1.57 -0.26 0.00 0.00 0.00 0.00 46.02 44.19 1ynt n GLY 2092CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ynt s ILE 2093N 0.00 0.37 -0.28 -0.61 1.01 0.22 -3.72 121.20 118.19 1ynt s ILE 2093Ca 0.00 -0.25 -0.10 0.00 0.00 0.00 0.00 60.65 60.30 1ynt s ILE 2093Cb 0.00 -0.78 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 1ynt s ILE 2093CO 0.00 -0.05 0.16 -0.75 0.00 0.00 0.00 174.94 174.30 1ynt s LYS 2094N 1.94 3.78 -0.48 2.79 2.20 -1.08 0.12 119.74 129.03 1ynt s LYS 2094Ca 0.02 -0.42 -0.09 0.00 -0.36 0.00 0.00 55.97 55.11 1ynt s LYS 2094Cb -0.15 -3.59 0.12 0.00 -1.51 0.00 0.00 37.83 32.70 1ynt s LYS 2094CO -0.07 -0.23 0.36 -1.17 -0.36 0.00 0.00 175.35 173.88 1ynt s LEU 2095N 1.71 5.74 -0.24 5.43 2.96 -1.09 -2.01 118.68 131.16 1ynt s LEU 2095Ca 0.07 -1.93 -0.06 0.00 -0.22 0.00 0.00 54.13 51.98 1ynt s LEU 2095Cb -0.16 -2.02 -0.02 0.00 0.50 0.00 0.00 46.19 44.49 1ynt s LEU 2095CO 0.09 -0.70 0.04 -0.89 -1.32 0.00 0.00 176.35 173.57 1ynt s THR 2096N 1.34 4.04 -0.12 3.68 2.01 0.26 -3.53 115.64 123.33 1ynt s THR 2096Ca 0.06 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 61.77 1ynt s THR 2096Cb -0.26 -2.89 -0.02 0.00 0.01 0.00 0.00 72.50 69.34 1ynt s THR 2096CO -0.01 0.35 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.47 1ynt s VAL 2097N 1.57 3.23 0.12 3.82 1.01 -1.19 -4.41 120.40 124.55 1ynt s VAL 2097Ca 0.06 -0.61 -0.31 0.00 0.00 0.00 0.00 61.98 61.12 1ynt s VAL 2097Cb -0.15 -2.35 -0.09 0.00 0.00 0.00 0.00 36.38 33.79 1ynt s VAL 2097CO 0.02 0.54 1.54 -2.84 0.00 0.00 0.00 175.10 174.35 1ynt s PRO 2098N 0.08 4.24 0.10 2.72 0.02 -1.26 -4.80 135.00 136.09 1ynt s PRO 2098Ca -0.04 2.26 -0.24 0.00 0.02 0.00 0.00 61.00 63.00 1ynt s PRO 2098Cb -0.14 -3.32 -0.07 0.00 0.02 0.00 0.00 34.50 30.98 1ynt s PRO 2098CO 0.04 -0.60 1.40 0.82 -0.33 0.00 0.00 177.00 178.33 1ynt h ILE 2099N 4.34 0.00 0.00 2.83 1.08 -1.95 0.63 117.51 124.45 1ynt h ILE 2099Ca -0.42 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.05 1ynt h ILE 2099Cb 1.20 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.95 1ynt h ILE 2099CO 0.91 0.00 0.36 -1.84 -0.69 0.00 0.00 178.15 176.89 1ynt n GLU 2100N -4.65 0.04 0.00 2.37 0.00 -1.26 0.03 120.64 117.16 1ynt n GLU 2100Ca -0.01 0.41 0.09 0.00 0.00 0.00 0.00 57.16 57.64 1ynt n GLU 2100Cb 0.23 -1.99 0.00 0.00 0.00 0.00 0.00 31.44 29.68 1ynt n GLU 2100CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1ynt n LYS 2101N -1.65 1.55 -0.97 3.44 4.76 0.22 -5.01 118.16 120.49 1ynt n LYS 2101Ca -0.00 -0.94 -0.35 0.00 -2.87 0.00 0.00 58.31 54.15 1ynt n LYS 2101Cb 0.37 -1.34 0.08 0.00 -1.84 0.00 0.00 35.03 32.29 1ynt n LYS 2101CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1ynt n PHE 2102N 0.01 -2.66 -2.02 2.13 3.01 0.10 -4.83 117.46 113.21 1ynt n PHE 2102Ca 0.08 0.18 -0.37 0.00 1.01 0.00 0.00 57.45 58.35 1ynt n PHE 2102Cb 0.39 -1.69 0.03 0.00 -0.01 0.00 0.00 39.48 38.20 1ynt n PHE 2102CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1ynt s PRO 2103N -2.80 3.15 0.30 -1.08 0.04 -1.26 -4.73 135.00 128.62 1ynt s PRO 2103Ca 0.53 1.88 0.06 0.00 0.04 0.00 0.00 61.00 63.52 1ynt s PRO 2103Cb -0.24 -2.07 0.77 0.00 0.04 0.00 0.00 34.50 33.00 1ynt s PRO 2103CO 0.71 -1.08 1.75 0.28 0.04 0.00 0.00 177.00 178.70 1ynt h VAL 2104N 1.16 0.62 -2.35 -0.36 2.07 -1.90 -2.40 116.25 113.09 1ynt h VAL 2104Ca -0.50 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1ynt h VAL 2104Cb 1.29 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1ynt h VAL 2104CO 0.56 0.12 0.00 0.35 0.02 0.00 0.00 177.57 178.62 1ynt n THR 2105N -4.85 0.00 -3.57 2.57 -2.24 -1.26 -4.27 114.28 100.66 1ynt n THR 2105Ca 0.24 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.64 1ynt n THR 2105Cb 0.63 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.80 1ynt n THR 2105CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ynt s THR 2106N -0.07 5.19 0.14 4.28 2.01 -1.26 -4.08 115.64 121.85 1ynt s THR 2106Ca 0.00 0.67 0.09 0.00 0.31 0.00 0.00 61.69 62.76 1ynt s THR 2106Cb 0.00 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 1ynt s THR 2106CO 0.00 0.53 -0.21 -1.10 -0.69 0.00 0.00 174.62 173.15 1ynt s GLN 2107N -0.62 1.27 0.10 4.92 -1.52 -1.07 -4.97 119.66 117.76 1ynt s GLN 2107Ca 0.21 -1.33 0.04 0.00 -1.95 0.00 0.00 55.36 52.33 1ynt s GLN 2107Cb -0.15 -1.49 -0.03 0.00 -0.22 0.00 0.00 33.01 31.12 1ynt s GLN 2107CO 0.09 0.33 -0.11 0.95 -0.25 0.00 0.00 175.29 176.30 1ynt s THR 2108N -1.56 1.04 -0.15 -0.19 -4.23 -1.26 -0.68 115.64 108.60 1ynt s THR 2108Ca 0.13 -1.58 -0.30 0.00 -1.18 0.00 0.00 61.69 58.75 1ynt s THR 2108Cb -0.08 -1.32 0.13 0.00 1.34 0.00 0.00 72.50 72.56 1ynt s THR 2108CO 0.06 -0.47 0.99 0.72 -0.54 0.00 0.00 174.62 175.39 1ynt s PHE 2109N -2.16 -0.37 0.18 3.99 -0.12 -0.25 -4.02 117.98 115.24 1ynt s PHE 2109Ca 0.04 0.61 0.04 0.00 -0.05 0.00 0.00 56.93 57.58 1ynt s PHE 2109Cb -0.05 0.45 -0.04 0.00 -0.63 0.00 0.00 43.02 42.76 1ynt s PHE 2109CO 0.01 -0.35 0.24 0.08 -0.05 0.00 0.00 175.22 175.16 1ynt s VAL 2110N -1.19 4.97 -0.47 -2.49 1.01 -0.74 -0.71 120.40 120.78 1ynt s VAL 2110Ca -0.01 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.09 1ynt s VAL 2110Cb -0.00 -3.59 0.30 0.00 0.00 0.00 0.00 36.38 33.08 1ynt s VAL 2110CO 0.01 -0.17 1.06 1.33 0.00 0.00 0.00 175.10 177.34 1ynt n VAL 2111N -0.72 0.00 -0.47 2.92 0.24 -1.08 -3.30 118.33 115.93 1ynt n VAL 2111Ca -0.08 -1.50 0.00 0.00 -2.04 0.00 0.00 64.34 60.72 1ynt n VAL 2111Cb 0.55 1.50 0.00 0.00 -1.47 0.00 0.00 33.84 34.42 1ynt n VAL 2111CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ynt n GLY 2112N 0.68 -1.41 3.00 7.63 0.00 -1.25 -4.44 105.19 109.39 1ynt n GLY 2112Ca 0.07 -1.58 -0.27 0.00 0.00 0.00 0.00 46.02 44.24 1ynt n GLY 2112CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ynt s ILE 2114N 1.10 2.14 -0.46 0.00 -4.36 -0.80 0.26 121.20 119.08 1ynt s ILE 2114Ca -0.06 -1.05 0.03 0.00 -0.26 0.00 0.00 60.65 59.31 1ynt s ILE 2114Cb -0.14 -1.77 0.13 0.00 1.25 0.00 0.00 42.46 41.92 1ynt s ILE 2114CO -0.02 0.57 0.22 -0.75 0.24 0.00 0.00 174.94 175.20 1ynt s LYS 2115N -0.31 1.58 0.00 0.37 2.20 -1.26 -0.61 119.74 121.71 1ynt s LYS 2115Ca 0.01 -2.22 0.00 0.00 -0.36 0.00 0.00 55.97 53.41 1ynt s LYS 2115Cb -0.13 -2.85 0.00 0.00 -1.51 0.00 0.00 37.83 33.35 1ynt s LYS 2115CO 0.02 -1.10 0.00 0.41 -0.36 0.00 0.00 175.35 174.32 1ynt n GLY 2116N 3.50 0.05 3.88 5.54 0.00 -1.26 -4.73 105.19 112.16 1ynt n GLY 2116Ca 0.06 -0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 1ynt n GLY 2116CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ynt s ASP 2117N 0.00 5.99 0.14 1.61 2.15 -1.26 -5.03 116.67 120.27 1ynt s ASP 2117Ca 0.00 0.06 -0.03 0.00 0.43 0.00 0.00 52.55 53.01 1ynt s ASP 2117Cb 0.00 -1.72 -0.07 0.00 -0.30 0.00 0.00 42.92 40.83 1ynt s ASP 2117CO 0.00 0.08 1.33 0.44 -0.17 0.00 0.00 175.17 176.85 1ynt h ASP 2118N 2.42 0.50 0.00 -0.34 3.32 -1.99 -3.36 116.42 116.97 1ynt h ASP 2118Ca -0.48 -0.39 -0.07 0.00 0.02 0.00 0.00 57.03 56.11 1ynt h ASP 2118Cb 1.19 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.56 1ynt h ASP 2118CO 0.67 1.18 0.08 0.00 -1.72 0.00 0.00 179.24 179.46 1ynt n ALA 2119N -2.53 3.26 0.00 3.45 0.00 -1.26 -1.69 120.51 121.74 1ynt n ALA 2119Ca -0.06 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1ynt n ALA 2119Cb 0.82 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 18.12 1ynt n ALA 2119CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1ynt n GLN 2120N 2.58 0.00 -3.47 0.00 7.27 -1.26 -4.55 117.38 117.96 1ynt n GLN 2120Ca 0.16 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.86 1ynt n GLN 2120Cb 0.38 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 32.96 1ynt n GLN 2120CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1ynt s SER 2121N 0.00 6.46 -0.90 1.69 1.04 -0.68 -4.28 113.70 117.03 1ynt s SER 2121Ca 0.00 0.54 -0.18 0.00 0.48 0.00 0.00 55.95 56.80 1ynt s SER 2121Cb 0.00 -2.21 0.15 0.00 0.10 0.00 0.00 66.02 64.06 1ynt s SER 2121CO 0.00 0.04 1.03 0.00 0.98 0.00 0.00 173.24 175.29 1ynt s MET 2123N 2.05 3.64 -0.35 0.00 -1.94 -1.17 0.17 119.30 121.71 1ynt s MET 2123Ca 0.28 -0.20 -0.11 0.00 -1.71 0.00 0.00 55.69 53.95 1ynt s MET 2123Cb -0.07 -3.79 0.00 0.00 2.01 0.00 0.00 34.83 32.98 1ynt s MET 2123CO -0.09 -0.58 0.21 0.08 -0.01 0.00 0.00 175.02 174.63 1ynt s VAL 2124N 2.27 4.85 -0.08 -6.03 1.01 -1.26 -2.89 120.40 118.27 1ynt s VAL 2124Ca 0.17 -0.51 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 1ynt s VAL 2124Cb -0.16 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1ynt s VAL 2124CO 0.12 -0.08 1.05 -0.89 0.00 0.00 0.00 175.10 175.31 1ynt s THR 2125N 1.63 4.66 -0.10 3.92 2.01 -0.27 -2.65 115.64 124.85 1ynt s THR 2125Ca 0.04 1.94 0.02 0.00 0.31 0.00 0.00 61.69 64.00 1ynt s THR 2125Cb -0.18 -4.25 -0.01 0.00 0.01 0.00 0.00 72.50 68.07 1ynt s THR 2125CO 0.08 0.02 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.17 1ynt s VAL 2126N 1.94 2.78 -0.06 3.82 1.01 0.11 -1.55 120.40 128.46 1ynt s VAL 2126Ca 0.50 -0.78 0.06 0.00 0.00 0.00 0.00 61.98 61.76 1ynt s VAL 2126Cb -0.20 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 1ynt s VAL 2126CO 0.20 0.55 -0.23 -0.89 0.00 0.00 0.00 175.10 174.72 1ynt s THR 2127N 0.08 1.94 -0.11 3.92 2.01 -0.46 -1.09 115.64 121.94 1ynt s THR 2127Ca -0.07 -1.00 -0.01 0.00 0.31 0.00 0.00 61.69 60.92 1ynt s THR 2127Cb -0.15 -1.65 -0.03 0.00 0.01 0.00 0.00 72.50 70.68 1ynt s THR 2127CO 0.05 0.54 -0.08 0.68 -0.69 0.00 0.00 174.62 175.13 1ynt s VAL 2128N -0.07 3.59 0.40 3.82 -7.23 0.15 -0.62 120.40 120.44 1ynt s VAL 2128Ca -0.05 -0.49 -0.25 0.00 -1.81 0.00 0.00 61.98 59.38 1ynt s VAL 2128Cb -0.14 -2.51 -0.08 0.00 0.56 0.00 0.00 36.38 34.21 1ynt s VAL 2128CO 0.04 0.55 1.13 -1.10 -0.31 0.00 0.00 175.10 175.41 1ynt s GLN 2129N -0.18 4.07 0.23 4.82 -0.21 -1.02 -2.61 119.66 124.76 1ynt s GLN 2129Ca 0.02 1.73 -0.30 0.00 0.02 0.00 0.00 55.36 56.83 1ynt s GLN 2129Cb -0.13 -2.62 -0.10 0.00 1.00 0.00 0.00 33.01 31.16 1ynt s GLN 2129CO 0.03 -0.28 1.52 0.00 -2.12 0.00 0.00 175.29 174.44 1ynt s ALA 2130N -1.49 3.71 -0.83 6.09 0.00 -1.26 -4.43 121.76 123.54 1ynt s ALA 2130Ca 0.58 1.40 -0.22 0.00 0.00 0.00 0.00 51.96 53.72 1ynt s ALA 2130Cb -0.28 -3.60 -0.20 0.00 0.00 0.00 0.00 23.12 19.04 1ynt s ALA 2130CO 0.35 -0.81 2.40 -2.13 0.00 0.00 0.00 175.76 175.57 1ynt n ARG 2131N 2.81 0.39 -3.91 0.00 0.00 -0.90 -4.89 116.66 110.16 1ynt n ARG 2131Ca 0.09 -0.25 -0.30 0.00 -0.00 0.00 0.00 57.85 57.40 1ynt n ARG 2131Cb 0.39 -2.42 -0.16 0.00 0.00 0.00 0.00 32.46 30.28 1ynt n ARG 2131CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ynt s ALA 2132N 8.87 1.78 0.12 5.13 0.00 -1.26 -4.88 121.76 131.51 1ynt s ALA 2132Ca 1.14 -1.19 -0.13 0.00 0.00 0.00 0.00 51.96 51.78 1ynt s ALA 2132Cb -0.58 -1.35 -0.08 0.00 0.00 0.00 0.00 23.12 21.11 1ynt s ALA 2132CO 0.35 -1.11 0.21 -1.13 0.00 0.00 0.00 175.76 174.08 1ynt n SER 2133N 4.75 -0.76 -3.59 0.00 3.41 -1.26 -4.94 113.62 111.23 1ynt n SER 2133Ca -0.12 0.52 -0.04 0.00 -0.26 0.00 0.00 58.87 58.97 1ynt n SER 2133Cb 0.45 -0.45 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1ynt n SER 2133CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ynt s SER 2134N -0.49 -0.14 -0.15 4.04 0.15 -0.05 -4.89 113.70 112.18 1ynt s SER 2134Ca 0.31 -0.01 -0.08 0.00 0.70 0.00 0.00 55.95 56.87 1ynt s SER 2134Cb -0.42 0.15 -0.04 0.00 -1.71 0.00 0.00 66.02 63.99 1ynt s SER 2134CO 0.28 -0.25 0.14 -0.69 1.20 0.00 0.00 173.24 173.92 1ynt s VAL 2135N -2.44 5.47 -0.19 4.45 1.01 -1.26 -2.22 120.40 125.22 1ynt s VAL 2135Ca 0.09 0.20 -0.02 0.00 0.00 0.00 0.00 61.98 62.26 1ynt s VAL 2135Cb -0.01 -3.43 0.06 0.00 0.00 0.00 0.00 36.38 33.00 1ynt s VAL 2135CO -0.05 0.55 0.00 -0.69 0.00 0.00 0.00 175.10 174.92 1ynt s VAL 2136N -0.51 0.81 -1.34 2.92 1.01 -1.06 -4.80 120.40 117.41 1ynt s VAL 2136Ca 0.12 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.42 1ynt s VAL 2136Cb -0.12 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.07 1ynt s VAL 2136CO 0.02 -0.12 0.64 -3.20 0.00 0.00 0.00 175.10 172.43 1ynt n ASN 2137N 4.95 -1.07 -3.31 3.32 2.85 -1.26 -2.78 115.26 117.96 1ynt n ASN 2137Ca -0.10 -0.87 -0.17 0.00 -0.11 0.00 0.00 54.58 53.34 1ynt n ASN 2137Cb 0.47 -3.78 0.07 0.00 1.24 0.00 0.00 39.78 37.78 1ynt n ASN 2137CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1ynt n ASN 2138N -3.03 -6.08 -3.43 1.20 4.13 -1.26 -4.98 115.26 101.82 1ynt n ASN 2138Ca -0.29 -0.73 -0.22 0.00 1.68 0.00 0.00 54.58 55.02 1ynt n ASN 2138Cb 0.67 -5.04 -0.11 0.00 -1.54 0.00 0.00 39.78 33.77 1ynt n ASN 2138CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1ynt s VAL 2139N -3.40 -0.19 -0.47 2.41 1.01 -1.12 -2.83 120.40 115.83 1ynt s VAL 2139Ca 0.42 -0.99 -0.28 0.00 0.00 0.00 0.00 61.98 61.12 1ynt s VAL 2139Cb -0.06 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.41 1ynt s VAL 2139CO 0.75 -0.68 1.42 0.00 0.00 0.00 0.00 175.10 176.59 1ynt s ALA 2140N 1.71 2.95 -0.27 5.51 0.00 0.99 -2.57 121.76 130.08 1ynt s ALA 2140Ca 0.14 -0.34 -0.06 0.00 0.00 0.00 0.00 51.96 51.69 1ynt s ALA 2140Cb -0.17 -4.00 -0.01 0.00 0.00 0.00 0.00 23.12 18.94 1ynt s ALA 2140CO -0.16 -2.60 0.05 1.03 0.00 0.00 0.00 175.76 174.08 1ynt s ARG 2141N 5.16 3.34 -0.30 0.00 0.52 -0.94 0.56 118.95 127.28 1ynt s ARG 2141Ca 0.58 -0.68 -0.11 0.00 -0.52 0.00 0.00 55.73 55.00 1ynt s ARG 2141Cb -0.13 -3.29 -0.03 0.00 0.52 0.00 0.00 34.95 32.02 1ynt s ARG 2141CO 0.30 -0.31 0.20 0.00 0.02 0.00 0.00 175.30 175.50 1ynt s SER 2143N 1.72 4.74 -0.30 0.00 1.04 -1.26 -4.73 113.70 114.92 1ynt s SER 2143Ca 0.06 -0.76 0.17 0.00 0.48 0.00 0.00 55.95 55.90 1ynt s SER 2143Cb -0.17 0.35 0.48 0.00 0.10 0.00 0.00 66.02 66.78 1ynt s SER 2143CO 0.10 -1.61 1.09 -1.22 0.98 0.00 0.00 173.24 172.57 1ynt n TYR 2144N -2.50 1.76 0.02 5.02 4.02 -1.26 -4.81 117.16 119.41 1ynt n TYR 2144Ca 0.17 -2.42 -0.12 0.00 -0.01 0.00 0.00 57.90 55.52 1ynt n TYR 2144Cb 0.62 -0.27 -0.09 0.00 -0.02 0.00 0.00 39.34 39.57 1ynt n TYR 2144CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1ynt h GLY 2145N 2.62 -0.13 -2.78 2.72 0.00 -1.91 -3.43 103.07 100.15 1ynt h GLY 2145Ca 0.02 0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 1ynt h GLY 2145CO 0.45 -0.05 0.01 0.00 0.00 0.00 0.00 176.54 176.95 1ynt s ALA 2146N -3.70 -0.98 -0.89 3.60 0.00 -1.26 -4.99 121.76 113.54 1ynt s ALA 2146Ca -0.14 -0.12 -0.18 0.00 0.00 0.00 0.00 51.96 51.52 1ynt s ALA 2146Cb 0.00 0.81 -0.24 0.00 0.00 0.00 0.00 23.12 23.70 1ynt s ALA 2146CO 0.56 -0.75 2.30 -0.25 0.00 0.00 0.00 175.76 177.62 1ynt n ASP 2147N -0.31 0.14 -4.72 0.00 8.00 -1.26 -4.77 116.55 113.63 1ynt n ASP 2147Ca -0.12 -0.89 -0.35 0.00 0.71 0.00 0.00 54.79 54.13 1ynt n ASP 2147Cb 0.63 -1.07 -0.09 0.00 -0.02 0.00 0.00 41.12 40.58 1ynt n ASP 2147CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1ynt s SER 2148N 5.55 5.44 -0.30 -2.24 1.04 -1.00 -4.97 113.70 117.22 1ynt s SER 2148Ca 1.15 0.19 -0.06 0.00 0.48 0.00 0.00 55.95 57.71 1ynt s SER 2148Cb -0.55 -1.57 0.02 0.00 0.10 0.00 0.00 66.02 64.02 1ynt s SER 2148CO 0.35 0.38 0.06 -0.89 0.98 0.00 0.00 173.24 174.11 1ynt s THR 2149N -0.93 3.69 -0.07 2.02 2.01 -1.26 -2.49 115.64 118.62 1ynt s THR 2149Ca 0.14 -0.88 -0.04 0.00 0.31 0.00 0.00 61.69 61.22 1ynt s THR 2149Cb -0.11 -2.95 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 1ynt s THR 2149CO 0.03 0.03 0.11 -0.76 -0.69 0.00 0.00 174.62 173.35 1ynt s LEU 2150N 1.44 4.14 0.00 4.42 1.43 -0.02 -5.00 118.68 125.08 1ynt s LEU 2150Ca 0.01 0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 1ynt s LEU 2150Cb -0.18 -2.18 0.00 0.00 0.03 0.00 0.00 46.19 43.87 1ynt s LEU 2150CO 0.01 0.35 0.00 0.61 0.23 0.00 0.00 176.35 177.55 1ynt n GLY 2151N 1.63 1.94 3.75 -3.19 0.00 -1.26 -1.76 105.19 106.30 1ynt n GLY 2151Ca -0.16 -1.90 -0.40 0.00 0.00 0.00 0.00 46.02 43.56 1ynt n GLY 2151CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ynt s PRO 2152N -1.43 4.83 -0.48 1.61 0.04 -1.26 -4.97 135.00 133.34 1ynt s PRO 2152Ca 0.00 1.51 -0.03 0.00 0.04 0.00 0.00 61.00 62.52 1ynt s PRO 2152Cb 0.00 -3.28 0.13 0.00 0.04 0.00 0.00 34.50 31.38 1ynt s PRO 2152CO 0.00 0.47 0.28 0.08 0.04 0.00 0.00 177.00 177.87 1ynt s VAL 2153N -1.06 3.48 0.31 -0.36 1.01 -0.53 -5.02 120.40 118.23 1ynt s VAL 2153Ca 0.42 -2.31 -0.27 0.00 0.00 0.00 0.00 61.98 59.82 1ynt s VAL 2153Cb -0.26 -3.34 -0.09 0.00 0.00 0.00 0.00 36.38 32.68 1ynt s VAL 2153CO 0.32 -0.75 1.00 -0.54 0.00 0.00 0.00 175.10 175.13 1ynt s LYS 2154N 0.80 4.57 -0.38 2.72 1.02 -1.26 -1.68 119.74 125.52 1ynt s LYS 2154Ca 0.11 1.50 0.13 0.00 0.02 0.00 0.00 55.97 57.73 1ynt s LYS 2154Cb -0.22 -2.93 0.41 0.00 -0.52 0.00 0.00 37.83 34.57 1ynt s LYS 2154CO -0.04 0.23 0.93 1.28 -0.92 0.00 0.00 175.35 176.83 1ynt n LEU 2155N 0.76 2.26 -4.35 3.17 7.99 0.94 -4.68 117.00 123.09 1ynt n LEU 2155Ca 0.01 -4.52 -0.33 0.00 -0.01 0.00 0.00 56.01 51.17 1ynt n LEU 2155Cb 0.48 0.22 0.14 0.00 -0.11 0.00 0.00 43.42 44.15 1ynt n LEU 2155CO 0.48 1.95 -0.29 -0.24 -1.51 0.00 0.00 177.39 177.77 1ynt n SER 2156N -0.08 -2.25 -0.14 -1.43 2.88 -1.26 -4.22 113.62 107.11 1ynt n SER 2156Ca 0.21 0.14 0.02 0.00 -1.33 0.00 0.00 58.87 57.91 1ynt n SER 2156Cb 0.71 -1.10 0.07 0.00 -0.75 0.00 0.00 64.21 63.14 1ynt n SER 2156CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ynt n ALA 2157N -3.94 2.50 -0.35 -1.46 0.00 -1.24 -2.77 120.51 113.24 1ynt n ALA 2157Ca 0.04 -0.14 0.02 0.00 0.00 0.00 0.00 53.44 53.36 1ynt n ALA 2157Cb 0.57 -1.01 0.03 0.00 0.00 0.00 0.00 19.45 19.04 1ynt n ALA 2157CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ynt n GLU 2158N -0.29 2.32 0.00 0.00 1.02 -1.26 -5.09 120.64 117.34 1ynt n GLU 2158Ca 0.03 -1.61 0.00 0.00 -0.02 0.00 0.00 57.16 55.56 1ynt n GLU 2158Cb 0.07 -1.04 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 1ynt n GLU 2158CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ynt n GLY 2159N -0.63 2.83 0.00 0.62 0.00 -1.12 -5.05 105.19 101.84 1ynt n GLY 2159Ca 0.03 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1ynt n GLY 2159CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ynt n PRO 2160N 1.36 1.74 -0.52 1.61 -0.04 -1.26 -4.34 135.00 133.54 1ynt n PRO 2160Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ynt n PRO 2160Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1ynt n PRO 2160CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ynt n THR 2161N -0.14 0.00 0.00 0.52 -2.24 -1.26 -4.31 114.28 106.85 1ynt n THR 2161Ca 0.00 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1ynt n THR 2161Cb 0.00 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 1ynt n THR 2161CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1ynt n THR 2162N 0.01 0.00 -4.34 4.28 5.66 -1.26 -3.70 114.28 114.93 1ynt n THR 2162Ca 0.00 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.83 1ynt n THR 2162Cb 0.70 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.38 1ynt n THR 2162CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ynt s MET 2163N -2.00 1.45 0.02 1.09 0.23 -1.21 -4.99 119.30 113.90 1ynt s MET 2163Ca 0.00 -1.79 0.09 0.00 -1.03 0.00 0.00 55.69 52.95 1ynt s MET 2163Cb 0.00 -0.34 -0.03 0.00 -1.53 0.00 0.00 34.83 32.93 1ynt s MET 2163CO 0.00 -0.29 -0.25 0.99 -2.03 0.00 0.00 175.02 173.44 1ynt s THR 2164N -3.68 2.04 -0.32 3.16 2.01 -1.13 -1.42 115.64 116.30 1ynt s THR 2164Ca 0.38 -1.26 0.03 0.00 0.31 0.00 0.00 61.69 61.14 1ynt s THR 2164Cb 0.08 -1.73 0.09 0.00 0.01 0.00 0.00 72.50 70.95 1ynt s THR 2164CO 0.14 0.42 0.01 -0.22 -0.69 0.00 0.00 174.62 174.28 1ynt s LEU 2165N -1.01 4.39 -1.11 4.42 2.96 0.32 -0.01 118.68 128.64 1ynt s LEU 2165Ca 0.11 -1.90 -0.15 0.00 -0.22 0.00 0.00 54.13 51.97 1ynt s LEU 2165Cb -0.10 -1.62 0.17 0.00 0.50 0.00 0.00 46.19 45.14 1ynt s LEU 2165CO 0.01 -0.33 1.29 -0.69 -1.32 0.00 0.00 176.35 175.31 1ynt s VAL 2166N 0.99 5.07 0.27 1.68 1.01 0.19 -3.23 120.40 126.39 1ynt s VAL 2166Ca 0.04 -2.43 0.05 0.00 0.00 0.00 0.00 61.98 59.65 1ynt s VAL 2166Cb -0.20 -4.83 0.02 0.00 0.00 0.00 0.00 36.38 31.37 1ynt s VAL 2166CO -0.07 -1.52 1.66 0.00 0.00 0.00 0.00 175.10 175.17 1ynt n GLY 2168N -0.08 0.95 0.00 0.00 0.00 -1.25 -4.44 105.19 100.38 1ynt n GLY 2168Ca -0.02 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1ynt n GLY 2168CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ynt n LYS 2169N 0.00 0.00 0.02 1.61 5.02 -1.26 0.17 118.16 123.72 1ynt n LYS 2169Ca 0.00 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.40 1ynt n LYS 2169Cb 0.00 -0.19 -0.03 0.00 -0.02 0.00 0.00 35.03 34.78 1ynt n LYS 2169CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1ynt n ASP 2170N 0.00 0.56 -4.18 4.39 8.00 -1.26 -4.97 116.55 119.08 1ynt n ASP 2170Ca 0.00 -0.24 -0.11 0.00 0.71 0.00 0.00 54.79 55.15 1ynt n ASP 2170Cb 0.18 1.03 -0.10 0.00 -0.02 0.00 0.00 41.12 42.21 1ynt n ASP 2170CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1ynt s GLY 2171N -3.79 0.85 0.52 0.44 0.00 -1.26 -3.33 107.32 100.75 1ynt s GLY 2171Ca 0.02 -1.40 -0.02 0.00 0.00 0.00 0.00 44.72 43.32 1ynt s GLY 2171CO 0.83 -1.47 0.78 0.14 0.00 0.00 0.00 173.10 173.38 1ynt s VAL 2172N -3.63 3.82 -0.14 1.40 1.01 -0.22 -4.74 120.40 117.89 1ynt s VAL 2172Ca 0.14 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 61.83 1ynt s VAL 2172Cb 0.05 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 1ynt s VAL 2172CO -0.03 -0.39 -0.08 -0.75 0.00 0.00 0.00 175.10 173.85 1ynt s LYS 2173N -4.76 3.51 -0.00 2.72 2.36 -1.26 -0.91 119.74 121.41 1ynt s LYS 2173Ca 0.51 -0.60 0.03 0.00 -2.55 0.00 0.00 55.97 53.37 1ynt s LYS 2173Cb -0.10 -2.77 -0.01 0.00 -1.05 0.00 0.00 37.83 33.89 1ynt s LYS 2173CO 0.41 0.25 -0.11 0.08 1.55 0.00 0.00 175.35 177.53 1ynt s VAL 2174N 0.31 0.85 0.13 4.02 1.01 0.13 -3.54 120.40 123.31 1ynt s VAL 2174Ca -0.07 -0.53 -0.33 0.00 0.00 0.00 0.00 61.98 61.05 1ynt s VAL 2174Cb -0.15 -0.72 -0.13 0.00 0.00 0.00 0.00 36.38 35.38 1ynt s VAL 2174CO 0.04 0.19 1.66 -2.65 0.00 0.00 0.00 175.10 174.34 1ynt n PRO 2175N 2.67 2.28 -0.20 2.72 -0.02 -1.26 -1.11 135.00 140.08 1ynt n PRO 2175Ca -0.14 0.83 -0.04 0.00 -2.02 0.00 0.00 63.50 62.12 1ynt n PRO 2175Cb 0.56 -2.63 -0.04 0.00 -0.02 0.00 0.00 33.50 31.38 1ynt n PRO 2175CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1ynt n GLN 2176N 4.16 -0.20 -2.05 -0.52 7.27 -1.23 -4.46 117.38 120.36 1ynt n GLN 2176Ca 0.18 0.74 -0.28 0.00 0.07 0.00 0.00 57.00 57.70 1ynt n GLN 2176Cb 0.30 -1.08 0.06 0.00 2.41 0.00 0.00 30.24 31.93 1ynt n GLN 2176CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1ynt s ASP 2177N -5.23 4.99 -0.15 1.69 1.01 -1.26 -4.97 116.67 112.75 1ynt s ASP 2177Ca -0.06 0.78 0.17 0.00 0.71 0.00 0.00 52.55 54.14 1ynt s ASP 2177Cb 0.06 -1.46 0.73 0.00 1.01 0.00 0.00 42.92 43.26 1ynt s ASP 2177CO 0.31 -1.55 1.65 0.59 0.21 0.00 0.00 175.17 176.38 1ynt n ASN 2178N -3.02 4.97 -0.04 0.27 3.02 -1.26 -4.22 115.26 114.97 1ynt n ASN 2178Ca 0.07 -2.61 -0.04 0.00 -0.03 0.00 0.00 54.58 51.97 1ynt n ASN 2178Cb 0.59 -0.60 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 1ynt n ASN 2178CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1ynt n ASN 2179N 0.87 3.15 -4.97 6.41 4.13 -1.26 -4.55 115.26 119.04 1ynt n ASN 2179Ca 0.26 -0.01 -0.21 0.00 1.68 0.00 0.00 54.58 56.30 1ynt n ASN 2179Cb 0.97 0.52 0.02 0.00 -1.54 0.00 0.00 39.78 39.75 1ynt n ASN 2179CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1ynt s GLN 2180N -2.19 2.82 0.36 3.52 -0.21 -1.26 -0.59 119.66 122.11 1ynt s GLN 2180Ca -0.06 -0.72 -0.03 0.00 0.02 0.00 0.00 55.36 54.58 1ynt s GLN 2180Cb 0.02 -2.57 0.01 0.00 1.00 0.00 0.00 33.01 31.48 1ynt s GLN 2180CO 0.29 -0.44 0.50 1.52 -2.12 0.00 0.00 175.29 175.05 1ynt s TYR 2181N -2.60 1.05 -0.16 0.91 -0.85 -1.26 -4.75 117.35 109.70 1ynt s TYR 2181Ca 0.53 -1.30 -0.08 0.00 -0.52 0.00 0.00 57.07 55.69 1ynt s TYR 2181Cb -0.10 -0.04 -0.04 0.00 0.38 0.00 0.00 41.96 42.16 1ynt s TYR 2181CO 0.37 -1.18 0.12 0.00 -1.52 0.00 0.00 175.55 173.34 1ynt n SER 2183N 2.82 2.09 -1.76 0.00 7.64 -0.86 -1.88 113.62 121.67 1ynt n SER 2183Ca -0.18 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.65 1ynt n SER 2183Cb 0.53 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1ynt n SER 2183CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ynt n GLY 2184N 2.20 -2.28 0.00 0.23 0.00 -1.17 -4.91 105.19 99.26 1ynt n GLY 2184Ca -0.43 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1ynt n GLY 2184CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ynt n THR 2185N 0.00 0.00 -1.33 2.61 -1.04 -1.26 -4.91 114.28 108.34 1ynt n THR 2185Ca 0.00 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.62 1ynt n THR 2185Cb 0.00 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.53 1ynt n THR 2185CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1ynt n THR 2186N 0.00 0.85 0.37 12.58 -2.24 -1.26 -4.63 114.28 119.95 1ynt n THR 2186Ca 0.00 -0.50 0.08 0.00 -2.27 0.00 0.00 64.05 61.36 1ynt n THR 2186Cb 0.00 -0.24 0.36 0.00 -2.10 0.00 0.00 70.33 68.35 1ynt n THR 2186CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ynt n LEU 2187N 1.79 0.29 0.03 3.22 4.77 -1.26 -2.32 117.00 123.52 1ynt n LEU 2187Ca 0.10 0.58 -0.11 0.00 -0.03 0.00 0.00 56.01 56.55 1ynt n LEU 2187Cb 0.46 -0.56 -0.06 0.00 -2.33 0.00 0.00 43.42 40.94 1ynt n LEU 2187CO 0.53 -0.46 0.85 0.74 -1.33 0.00 0.00 177.39 177.72 1ynt h THR 2188N 0.00 0.90 -2.27 -5.08 2.02 -2.02 -2.98 112.91 103.49 1ynt h THR 2188Ca 0.00 0.00 -0.60 0.00 0.77 0.00 0.00 66.41 66.58 1ynt h THR 2188Cb 0.24 0.90 -0.41 0.00 -1.74 0.00 0.00 68.15 67.14 1ynt h THR 2188CO 0.00 0.00 -0.56 0.61 0.37 0.00 0.00 175.52 175.94 1ynt n GLY 2189N -1.14 5.40 0.33 2.16 0.00 -0.98 -4.91 105.19 106.06 1ynt n GLY 2189Ca -0.06 -2.78 0.19 0.00 0.00 0.00 0.00 46.02 43.37 1ynt n GLY 2189CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ynt n ASN 2191N -3.24 -7.25 -4.76 0.00 5.15 -1.26 -2.08 115.26 101.81 1ynt n ASN 2191Ca -0.02 -0.03 -0.39 0.00 -0.60 0.00 0.00 54.58 53.54 1ynt n ASN 2191Cb 0.20 -4.54 0.03 0.00 -0.53 0.00 0.00 39.78 34.94 1ynt n ASN 2191CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1ynt s GLU 2192N -3.12 3.47 0.00 1.20 2.02 -1.26 -2.03 118.70 118.98 1ynt s GLU 2192Ca 0.10 2.36 0.00 0.00 0.02 0.00 0.00 54.97 57.45 1ynt s GLU 2192Cb -0.02 -2.50 0.00 0.00 0.10 0.00 0.00 34.13 31.70 1ynt s GLU 2192CO 0.79 -0.97 0.00 1.63 0.02 0.00 0.00 175.26 176.72 1ynt n LYS 2193N -0.52 0.00 0.00 1.61 4.76 -0.75 -4.92 118.16 118.34 1ynt n LYS 2193Ca 0.07 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 1ynt n LYS 2193Cb 0.43 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.62 1ynt n LYS 2193CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1ynt n SER 2194N 0.00 0.00 0.25 4.39 2.88 -1.26 -4.50 113.62 115.38 1ynt n SER 2194Ca 0.00 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.71 1ynt n SER 2194Cb 0.00 0.00 0.77 0.00 -0.75 0.00 0.00 64.21 64.23 1ynt n SER 2194CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 1ynt h PHE 2195N 0.00 0.00 -0.84 0.66 0.04 -1.15 0.17 116.94 115.83 1ynt h PHE 2195Ca 0.00 0.00 0.18 0.00 2.80 0.00 0.00 57.97 60.95 1ynt h PHE 2195Cb 0.00 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.09 1ynt h PHE 2195CO 0.00 0.00 0.56 0.87 -0.60 0.00 0.00 178.31 179.14 1ynt h LYS 2196N 0.00 0.39 0.00 1.51 1.57 -1.77 -2.18 116.57 116.09 1ynt h LYS 2196Ca 0.07 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1ynt h LYS 2196Cb 0.84 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1ynt h LYS 2196CO -0.00 0.26 0.00 -0.25 -0.57 0.00 0.00 179.45 178.89 1ynt n ASP 2197N -4.49 0.00 -0.42 0.86 10.43 0.05 -3.75 116.55 119.23 1ynt n ASP 2197Ca 0.17 0.10 0.37 0.00 2.57 0.00 0.00 54.79 58.00 1ynt n ASP 2197Cb 0.63 0.00 0.71 0.00 1.84 0.00 0.00 41.12 44.29 1ynt n ASP 2197CO 0.00 0.00 0.00 0.16 -1.07 0.00 0.00 177.20 176.29 1ynt h ILE 2198N 0.00 0.30 -3.18 0.53 3.07 -1.74 -3.27 117.51 113.21 1ynt h ILE 2198Ca 0.00 -0.03 -0.62 0.00 1.55 0.00 0.00 64.86 65.76 1ynt h ILE 2198Cb 0.00 0.21 -0.40 0.00 -0.27 0.00 0.00 36.82 36.35 1ynt h ILE 2198CO 0.00 0.02 -0.72 -0.76 -1.05 0.00 0.00 178.15 175.64 1ynt s LEU 2199N -8.68 3.17 0.00 0.16 2.01 -0.82 -4.72 118.68 109.79 1ynt s LEU 2199Ca -0.06 -2.46 0.00 0.00 0.01 0.00 0.00 54.13 51.62 1ynt s LEU 2199Cb 0.25 -1.19 0.00 0.00 0.01 0.00 0.00 46.19 45.26 1ynt s LEU 2199CO 0.83 -0.30 0.00 -0.81 1.01 0.00 0.00 176.35 177.07 1ynt n PRO 2200N 3.79 0.00 -1.32 1.29 -0.04 -1.24 -4.36 135.00 133.11 1ynt n PRO 2200Ca 0.05 0.00 -0.56 0.00 -0.04 0.00 0.00 63.50 62.95 1ynt n PRO 2200Cb 0.36 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.72 1ynt n PRO 2200CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1ynt n LYS 2201N 0.00 0.36 -3.61 0.54 0.00 -1.26 -4.85 118.16 109.35 1ynt n LYS 2201Ca 0.00 0.10 -0.08 0.00 0.00 0.00 0.00 58.31 58.33 1ynt n LYS 2201Cb 0.00 -1.83 -0.05 0.00 0.00 0.00 0.00 35.03 33.14 1ynt n LYS 2201CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1ynt s LEU 2202N 6.56 -0.28 -0.80 3.14 2.96 -1.26 -4.64 118.68 124.36 1ynt s LEU 2202Ca 1.17 0.37 -0.26 0.00 -0.22 0.00 0.00 54.13 55.19 1ynt s LEU 2202Cb -1.27 1.62 0.04 0.00 0.50 0.00 0.00 46.19 47.08 1ynt s LEU 2202CO 0.60 -0.21 1.29 -0.89 -1.32 0.00 0.00 176.35 175.82 1ynt s THR 2203N -0.77 3.82 0.00 3.68 2.01 -1.26 -4.89 115.64 118.23 1ynt s THR 2203Ca 0.02 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.10 1ynt s THR 2203Cb -0.02 -4.93 0.00 0.00 0.01 0.00 0.00 72.50 67.56 1ynt s THR 2203CO -0.03 -1.84 0.00 -0.62 -0.69 0.00 0.00 174.62 171.43 1ynt n GLU 2204N 9.11 0.00 -3.38 4.92 4.71 -1.26 -1.52 120.64 133.22 1ynt n GLU 2204Ca 0.09 0.00 -0.33 0.00 -0.01 0.00 0.00 57.16 56.91 1ynt n GLU 2204Cb 0.49 0.00 -0.05 0.00 -1.01 0.00 0.00 31.44 30.87 1ynt n GLU 2204CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1ynt n ASN 2205N -2.10 4.54 -0.57 1.62 5.15 -1.26 -4.49 115.26 118.15 1ynt n ASN 2205Ca 0.00 -3.36 0.00 0.00 -0.60 0.00 0.00 54.58 50.62 1ynt n ASN 2205Cb 0.00 -0.92 0.00 0.00 -0.53 0.00 0.00 39.78 38.33 1ynt n ASN 2205CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1ynt n PRO 2206N 1.34 0.81 -4.09 1.20 -0.04 -0.58 -4.79 135.00 128.85 1ynt n PRO 2206Ca 0.27 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.43 1ynt n PRO 2206Cb 0.38 -1.36 -0.07 0.00 -0.04 0.00 0.00 33.50 32.41 1ynt n PRO 2206CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1ynt s TRP 2207N -0.84 3.10 -0.26 0.54 0.52 -1.26 -1.59 118.94 119.16 1ynt s TRP 2207Ca 0.00 0.02 -0.02 0.00 0.02 0.00 0.00 56.10 56.12 1ynt s TRP 2207Cb 0.00 -1.57 0.12 0.00 -1.15 0.00 0.00 33.47 30.88 1ynt s TRP 2207CO 0.00 0.51 0.29 -0.65 0.02 0.00 0.00 176.95 177.12 1ynt s GLN 2208N -2.47 0.29 0.00 4.98 -0.21 -1.16 -4.94 119.66 116.15 1ynt s GLN 2208Ca 0.28 0.07 0.00 0.00 0.02 0.00 0.00 55.36 55.73 1ynt s GLN 2208Cb -0.12 -0.77 0.00 0.00 1.00 0.00 0.00 33.01 33.12 1ynt s GLN 2208CO 0.21 -0.86 0.00 0.41 -2.12 0.00 0.00 175.29 172.92 1ynt n GLY 2209N 5.32 4.38 3.55 3.09 0.00 -1.26 -2.00 105.19 118.27 1ynt n GLY 2209Ca -0.03 -0.81 -0.22 0.00 0.00 0.00 0.00 46.02 44.95 1ynt n GLY 2209CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ynt n ASN 2210N 0.00 1.45 0.00 1.61 5.15 -1.16 -4.36 115.26 117.95 1ynt n ASN 2210Ca 0.00 -2.52 0.00 0.00 -0.60 0.00 0.00 54.58 51.46 1ynt n ASN 2210Cb 0.00 -1.47 0.00 0.00 -0.53 0.00 0.00 39.78 37.78 1ynt n ASN 2210CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ynt n ALA 2211N 17.06 0.00 -1.87 5.20 0.00 0.28 -2.04 120.51 139.14 1ynt n ALA 2211Ca 0.43 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.45 1ynt n ALA 2211Cb 0.46 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.90 1ynt n ALA 2211CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ynt n SER 2212N -1.22 3.98 -3.51 0.00 7.64 -1.26 -3.87 113.62 115.38 1ynt n SER 2212Ca 0.00 -2.84 -0.09 0.00 1.01 0.00 0.00 58.87 56.95 1ynt n SER 2212Cb 0.00 -1.64 -0.02 0.00 -1.01 0.00 0.00 64.21 61.54 1ynt n SER 2212CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ynt s SER 2213N 3.57 -0.41 0.41 6.43 1.04 0.46 -4.59 113.70 120.61 1ynt s SER 2213Ca 0.49 -0.05 0.20 0.00 0.48 0.00 0.00 55.95 57.08 1ynt s SER 2213Cb 0.12 0.47 1.15 0.00 0.10 0.00 0.00 66.02 67.86 1ynt s SER 2213CO -0.04 -0.78 1.78 -2.24 0.98 0.00 0.00 173.24 172.94 1ynt h ASP 2214N 2.00 0.40 -0.04 7.02 2.03 -1.89 0.35 116.42 126.29 1ynt h ASP 2214Ca -0.26 0.08 -0.03 0.00 -0.73 0.00 0.00 57.03 56.09 1ynt h ASP 2214Cb 1.26 0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 1ynt h ASP 2214CO 0.32 0.08 -0.09 0.11 -1.03 0.00 0.00 179.24 178.63 1ynt h LYS 2215N 0.35 0.13 0.00 4.15 1.79 -1.91 -3.48 116.57 117.61 1ynt h LYS 2215Ca 0.59 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.97 1ynt h LYS 2215Cb 1.57 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.24 1ynt h LYS 2215CO -0.27 0.69 0.00 0.41 -1.08 0.00 0.00 179.45 179.20 1ynt n GLY 2216N 0.50 1.55 0.00 3.86 0.00 0.12 -4.69 105.19 106.54 1ynt n GLY 2216Ca -0.08 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1ynt n GLY 2216CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ynt n ALA 2217N 2.20 0.00 -3.72 4.61 0.00 -1.20 -0.55 120.51 121.85 1ynt n ALA 2217Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1ynt n ALA 2217Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 1ynt n ALA 2217CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ynt s THR 2218N -2.00 1.34 -0.57 0.00 2.01 -0.85 -0.52 115.64 115.04 1ynt s THR 2218Ca 0.00 -0.53 -0.22 0.00 0.31 0.00 0.00 61.69 61.24 1ynt s THR 2218Cb 0.00 -1.25 0.05 0.00 0.01 0.00 0.00 72.50 71.32 1ynt s THR 2218CO 0.00 0.41 0.86 -0.22 -0.69 0.00 0.00 174.62 174.98 1ynt s LEU 2219N 1.14 4.43 -0.18 4.42 2.96 -0.51 -2.97 118.68 127.97 1ynt s LEU 2219Ca -0.04 -0.69 -0.09 0.00 -0.22 0.00 0.00 54.13 53.09 1ynt s LEU 2219Cb -0.14 -2.61 -0.05 0.00 0.50 0.00 0.00 46.19 43.89 1ynt s LEU 2219CO -0.03 -1.20 0.13 -0.89 -1.32 0.00 0.00 176.35 173.04 1ynt s THR 2220N 3.61 5.42 -0.43 3.68 2.01 -0.62 -3.29 115.64 126.03 1ynt s THR 2220Ca 0.24 0.19 -0.06 0.00 0.31 0.00 0.00 61.69 62.37 1ynt s THR 2220Cb -0.16 -3.44 0.11 0.00 0.01 0.00 0.00 72.50 69.02 1ynt s THR 2220CO 0.15 0.49 0.25 -0.63 -0.69 0.00 0.00 174.62 174.19 1ynt s ILE 2221N -0.03 3.74 -0.03 1.82 -1.09 -1.24 -4.76 121.20 119.60 1ynt s ILE 2221Ca 0.10 -1.84 -0.11 0.00 -2.23 0.00 0.00 60.65 56.57 1ynt s ILE 2221Cb -0.11 -3.47 -0.05 0.00 -1.58 0.00 0.00 42.46 37.25 1ynt s ILE 2221CO -0.00 -0.67 0.30 1.17 -1.23 0.00 0.00 174.94 174.51 1ynt n LYS 2222N 4.75 0.00 -0.39 2.79 4.81 -1.26 -4.65 118.16 124.22 1ynt n LYS 2222Ca -0.06 0.00 0.36 0.00 -0.87 0.00 0.00 58.31 57.74 1ynt n LYS 2222Cb 0.41 -0.38 0.55 0.00 0.02 0.00 0.00 35.03 35.64 1ynt n LYS 2222CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1ynt n LYS 2223N 0.53 0.01 -0.02 1.64 4.81 -1.26 -1.08 118.16 122.79 1ynt n LYS 2223Ca 0.06 0.99 0.01 0.00 -0.87 0.00 0.00 58.31 58.49 1ynt n LYS 2223Cb 0.01 -2.38 0.01 0.00 0.02 0.00 0.00 35.03 32.69 1ynt n LYS 2223CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1ynt n GLU 2224N -3.39 2.09 0.12 1.64 1.02 -1.26 -4.71 120.64 116.15 1ynt n GLU 2224Ca 0.30 -1.31 0.12 0.00 -0.02 0.00 0.00 57.16 56.24 1ynt n GLU 2224Cb 1.63 -0.90 0.08 0.00 -0.02 0.00 0.00 31.44 32.24 1ynt n GLU 2224CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ynt h ALA 2225N 0.00 0.64 -1.52 0.62 0.00 -1.37 -3.48 119.26 114.15 1ynt h ALA 2225Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.46 1ynt h ALA 2225Cb 0.67 0.00 0.14 0.00 0.00 0.00 0.00 17.79 18.61 1ynt h ALA 2225CO 0.00 0.00 -0.97 1.19 0.00 0.00 0.00 179.25 179.47 1ynt n PHE 2226N -2.66 -2.49 -3.31 0.00 3.01 -1.26 -4.71 117.46 106.05 1ynt n PHE 2226Ca 0.02 0.29 -0.36 0.00 1.01 0.00 0.00 57.45 58.40 1ynt n PHE 2226Cb 0.52 -1.25 -0.06 0.00 -0.01 0.00 0.00 39.48 38.68 1ynt n PHE 2226CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1ynt s PRO 2227N -0.89 4.05 0.03 -1.08 0.04 -1.26 -5.02 135.00 130.87 1ynt s PRO 2227Ca 0.41 0.58 -0.12 0.00 0.04 0.00 0.00 61.00 61.91 1ynt s PRO 2227Cb -0.34 -2.96 -0.06 0.00 0.04 0.00 0.00 34.50 31.18 1ynt s PRO 2227CO 0.52 0.49 1.18 0.00 0.04 0.00 0.00 177.00 179.23 1ynt h ALA 2228N 3.67 -0.91 -2.44 8.56 0.00 -1.92 -3.43 119.26 122.78 1ynt h ALA 2228Ca -0.49 -0.07 -0.47 0.00 0.00 0.00 0.00 54.91 53.89 1ynt h ALA 2228Cb 1.20 0.39 0.13 0.00 0.00 0.00 0.00 17.79 19.50 1ynt h ALA 2228CO 0.65 -0.91 0.30 -1.21 0.00 0.00 0.00 179.25 178.08 1ynt s GLU 2229N -3.94 1.39 0.06 0.00 8.01 -1.26 -5.01 118.70 117.95 1ynt s GLU 2229Ca -0.06 0.46 -0.27 0.00 0.01 0.00 0.00 54.97 55.10 1ynt s GLU 2229Cb 0.01 -1.85 -0.05 0.00 -4.31 0.00 0.00 34.13 27.93 1ynt s GLU 2229CO 0.20 -2.06 0.86 -1.12 0.01 0.00 0.00 175.26 173.15 1ynt s SER 2230N -3.90 7.33 -0.03 -0.19 0.01 -1.26 -4.83 113.70 110.83 1ynt s SER 2230Ca 0.63 1.59 0.02 0.00 1.31 0.00 0.00 55.95 59.51 1ynt s SER 2230Cb -0.15 -2.52 0.01 0.00 0.21 0.00 0.00 66.02 63.56 1ynt s SER 2230CO 0.54 -0.06 -0.09 -0.54 0.41 0.00 0.00 173.24 173.50 1ynt s LYS 2231N 0.15 1.09 -0.04 12.44 3.01 -0.98 -5.02 119.74 130.40 1ynt s LYS 2231Ca 0.43 -0.31 0.06 0.00 -1.01 0.00 0.00 55.97 55.15 1ynt s LYS 2231Cb -0.21 -1.00 -0.02 0.00 -1.01 0.00 0.00 37.83 35.59 1ynt s LYS 2231CO 0.26 0.09 -0.24 -1.54 0.51 0.00 0.00 175.35 174.43 1ynt s SER 2232N 0.33 3.21 0.47 2.83 1.04 -1.26 -1.58 113.70 118.75 1ynt s SER 2232Ca -0.06 -0.45 0.02 0.00 0.48 0.00 0.00 55.95 55.94 1ynt s SER 2232Cb -0.10 -0.65 -0.01 0.00 0.10 0.00 0.00 66.02 65.35 1ynt s SER 2232CO 0.01 0.29 0.07 1.33 0.98 0.00 0.00 173.24 175.92 1ynt n VAL 2233N 2.67 0.00 -3.69 5.02 0.24 -1.04 -4.97 118.33 116.55 1ynt n VAL 2233Ca -0.17 -2.47 -0.16 0.00 -2.04 0.00 0.00 64.34 59.50 1ynt n VAL 2233Cb 0.52 0.68 -0.15 0.00 -1.47 0.00 0.00 33.84 33.42 1ynt n VAL 2233CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1ynt s ILE 2234N -3.01 -0.18 0.27 1.34 1.09 -0.79 -1.70 121.20 118.22 1ynt s ILE 2234Ca 0.10 0.31 0.04 0.00 -1.10 0.00 0.00 60.65 60.00 1ynt s ILE 2234Cb 0.01 -0.26 -0.06 0.00 -1.06 0.00 0.00 42.46 41.09 1ynt s ILE 2234CO 0.07 0.13 0.02 0.27 -0.10 0.00 0.00 174.94 175.33 1ynt s ILE 2235N 1.93 1.16 -1.92 2.92 -4.36 -0.75 -1.67 121.20 118.51 1ynt s ILE 2235Ca -0.01 -2.03 0.00 0.00 -0.26 0.00 0.00 60.65 58.35 1ynt s ILE 2235Cb -0.12 -2.54 0.00 0.00 1.25 0.00 0.00 42.46 41.05 1ynt s ILE 2235CO -0.05 -0.18 0.00 0.61 0.24 0.00 0.00 174.94 175.55 1ynt n GLY 2236N -0.54 -1.43 3.15 6.27 0.00 -0.26 -0.39 105.19 111.99 1ynt n GLY 2236Ca -0.04 -1.01 -0.17 0.00 0.00 0.00 0.00 46.02 44.81 1ynt n GLY 2236CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ynt s THR 2238N -1.44 1.77 0.00 0.00 -4.23 -0.09 -1.89 115.64 109.77 1ynt s THR 2238Ca -0.03 -0.81 0.00 0.00 -1.18 0.00 0.00 61.69 59.68 1ynt s THR 2238Cb -0.09 -1.59 0.00 0.00 1.34 0.00 0.00 72.50 72.16 1ynt s THR 2238CO 0.02 0.49 0.00 0.61 -0.54 0.00 0.00 174.62 175.20 1ynt n GLY 2239N 4.11 0.37 0.00 3.99 0.00 -1.19 -1.06 105.19 111.41 1ynt n GLY 2239Ca -0.19 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1ynt n GLY 2239CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ynt n GLY 2240N -0.14 0.73 0.00 -0.02 0.00 -1.21 -3.44 105.19 101.11 1ynt n GLY 2240Ca 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.90 1ynt n GLY 2240CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ynt n SER 2241N 0.03 0.00 -0.55 1.61 3.41 -1.26 -4.41 113.62 112.44 1ynt n SER 2241Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ynt n SER 2241Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1ynt n SER 2241CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1ynt n PRO 2242N -0.35 0.56 -3.72 4.33 -0.04 -1.26 -4.98 135.00 129.54 1ynt n PRO 2242Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 1ynt n PRO 2242Cb 0.00 -1.27 -0.13 0.00 -0.04 0.00 0.00 33.50 32.06 1ynt n PRO 2242CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1ynt s GLU 2243N -0.84 0.22 -0.55 0.54 2.12 -1.26 -5.12 118.70 113.80 1ynt s GLU 2243Ca 0.00 0.56 -0.27 0.00 0.36 0.00 0.00 54.97 55.62 1ynt s GLU 2243Cb 0.00 -0.11 0.03 0.00 0.26 0.00 0.00 34.13 34.31 1ynt s GLU 2243CO 0.00 -0.17 1.09 0.15 -0.54 0.00 0.00 175.26 175.79 1ynt s LYS 2244N 1.33 3.48 0.00 4.30 -0.14 -1.26 -4.49 119.74 122.96 1ynt s LYS 2244Ca -0.09 0.12 0.00 0.00 -1.36 0.00 0.00 55.97 54.64 1ynt s LYS 2244Cb -0.10 -4.01 0.00 0.00 -1.68 0.00 0.00 37.83 32.04 1ynt s LYS 2244CO -0.09 -1.55 0.00 0.72 -0.76 0.00 0.00 175.35 173.67 1ynt n HIS 2245N 7.98 -0.95 -4.10 3.18 8.25 -1.22 -4.79 115.22 123.58 1ynt n HIS 2245Ca 0.07 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.39 1ynt n HIS 2245Cb 0.49 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.48 1ynt n HIS 2245CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1ynt s HIS 2246N 0.91 0.79 -0.43 4.41 0.09 -1.26 -3.19 115.29 116.61 1ynt s HIS 2246Ca 0.00 -0.56 0.02 0.00 -0.00 0.00 0.00 55.06 54.52 1ynt s HIS 2246Cb 0.00 -0.46 0.14 0.00 -0.00 0.00 0.00 32.58 32.25 1ynt s HIS 2246CO 0.00 -0.07 0.24 0.00 -0.00 0.00 0.00 174.74 174.91 1ynt s THR 2248N 0.41 3.41 -0.17 0.00 2.01 -1.04 -3.18 115.64 117.08 1ynt s THR 2248Ca 0.18 1.35 -0.03 0.00 0.31 0.00 0.00 61.69 63.51 1ynt s THR 2248Cb -0.23 -3.84 0.05 0.00 0.01 0.00 0.00 72.50 68.50 1ynt s THR 2248CO -0.01 0.27 0.03 -0.69 -0.69 0.00 0.00 174.62 173.54 1ynt s VAL 2249N -1.24 0.50 -0.04 3.82 1.01 0.48 -0.84 120.40 124.08 1ynt s VAL 2249Ca 0.48 -0.45 -0.24 0.00 0.00 0.00 0.00 61.98 61.77 1ynt s VAL 2249Cb -0.31 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 1ynt s VAL 2249CO 0.40 -0.13 0.73 -0.54 0.00 0.00 0.00 175.10 175.56 1ynt s LYS 2250N 1.88 4.45 0.06 2.72 1.02 -0.72 -1.80 119.74 127.35 1ynt s LYS 2250Ca 0.00 0.96 0.04 0.00 0.02 0.00 0.00 55.97 56.99 1ynt s LYS 2250Cb -0.16 -3.43 -0.04 0.00 -0.52 0.00 0.00 37.83 33.68 1ynt s LYS 2250CO -0.08 0.11 -0.04 -0.51 -0.92 0.00 0.00 175.35 173.91 1ynt s LEU 2251N 0.62 3.30 -0.30 3.17 1.43 -0.69 -1.45 118.68 124.76 1ynt s LEU 2251Ca 0.39 -0.19 -0.02 0.00 -1.03 0.00 0.00 54.13 53.27 1ynt s LEU 2251Cb -0.19 -1.99 0.10 0.00 0.03 0.00 0.00 46.19 44.14 1ynt s LEU 2251CO 0.20 0.22 0.12 -1.61 0.23 0.00 0.00 176.35 175.50 1ynt s GLU 2252N -1.95 0.44 -0.83 1.70 2.02 -0.68 -2.50 118.70 116.90 1ynt s GLU 2252Ca 0.22 -0.80 -0.22 0.00 0.02 0.00 0.00 54.97 54.19 1ynt s GLU 2252Cb -0.11 -1.54 0.09 0.00 0.10 0.00 0.00 34.13 32.66 1ynt s GLU 2252CO 0.13 -1.01 1.14 -0.06 0.02 0.00 0.00 175.26 175.48 1ynt s PHE 2253N 1.86 2.78 -2.13 1.61 0.40 -0.62 -0.04 117.98 121.83 1ynt s PHE 2253Ca 0.10 -0.87 0.31 0.00 -0.60 0.00 0.00 56.93 55.87 1ynt s PHE 2253Cb -0.17 -4.39 1.68 0.00 0.51 0.00 0.00 43.02 40.65 1ynt s PHE 2253CO -0.31 -1.68 2.10 0.00 0.70 0.00 0.00 175.22 176.03