#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nxy s ILE 2002N 0.00 4.65 -0.22 5.18 1.01 -1.26 -4.99 121.20 125.57 2nxy s ILE 2002Ca 0.00 1.98 -0.11 0.00 0.00 0.00 0.00 60.65 62.52 2nxy s ILE 2002Cb 0.00 -4.33 -0.05 0.00 0.01 0.00 0.00 42.46 38.09 2nxy s ILE 2002CO 0.00 -0.23 0.18 -0.69 0.00 0.00 0.00 174.94 174.20 2nxy s VAL 2003N 3.28 5.36 -0.19 2.92 1.01 -1.26 -4.78 120.40 126.74 2nxy s VAL 2003Ca 0.44 0.26 -0.08 0.00 0.00 0.00 0.00 61.98 62.60 2nxy s VAL 2003Cb -0.14 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 2nxy s VAL 2003CO 0.08 0.37 0.09 -0.04 0.00 0.00 0.00 175.10 175.60 2nxy s MET 2004N 0.79 4.05 -0.11 2.72 1.00 -1.26 -1.64 119.30 124.84 2nxy s MET 2004Ca 0.09 -0.30 0.02 0.00 0.00 0.00 0.00 55.69 55.51 2nxy s MET 2004Cb -0.13 -3.30 0.01 0.00 0.00 0.00 0.00 34.83 31.42 2nxy s MET 2004CO 0.02 0.27 -0.18 0.99 0.00 0.00 0.00 175.02 176.12 2nxy s THR 2005N 0.40 1.71 0.05 2.05 2.01 0.33 -4.17 115.64 118.02 2nxy s THR 2005Ca 0.05 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 61.29 2nxy s THR 2005Cb -0.12 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 2nxy s THR 2005CO -0.00 0.48 0.04 -1.10 -0.69 0.00 0.00 174.62 173.35 2nxy s GLN 2006N 0.82 2.82 -0.02 4.92 -0.21 -1.26 -0.63 119.66 126.10 2nxy s GLN 2006Ca -0.09 -0.66 -0.08 0.00 0.02 0.00 0.00 55.36 54.55 2nxy s GLN 2006Cb -0.16 -2.70 0.01 0.00 1.00 0.00 0.00 33.01 31.16 2nxy s GLN 2006CO 0.00 0.59 0.17 -1.54 -2.12 0.00 0.00 175.29 172.39 2nxy s SER 2007N -2.05 -0.06 0.95 5.90 1.04 -0.81 -4.50 113.70 114.17 2nxy s SER 2007Ca 0.25 -0.01 -0.15 0.00 0.48 0.00 0.00 55.95 56.52 2nxy s SER 2007Cb -0.12 0.27 0.18 0.00 0.10 0.00 0.00 66.02 66.45 2nxy s SER 2007CO 0.17 -0.29 1.28 -2.16 0.98 0.00 0.00 173.24 173.22 2nxy s PRO 2008N -0.94 0.79 0.10 4.02 0.04 -1.26 -1.68 135.00 136.07 2nxy s PRO 2008Ca -0.10 -0.28 -0.16 0.00 0.04 0.00 0.00 61.00 60.50 2nxy s PRO 2008Cb -0.06 -1.85 -0.06 0.00 0.04 0.00 0.00 34.50 32.57 2nxy s PRO 2008CO 0.01 -2.33 1.50 0.00 0.04 0.00 0.00 177.00 176.23 2nxy h ALA 2009N -1.58 0.45 -3.89 8.56 0.00 -1.85 -3.41 119.26 117.54 2nxy h ALA 2009Ca -0.45 -0.29 -0.55 0.00 0.00 0.00 0.00 54.91 53.62 2nxy h ALA 2009Cb 1.26 -0.11 -0.31 0.00 0.00 0.00 0.00 17.79 18.62 2nxy h ALA 2009CO 0.44 0.28 -0.83 0.99 0.00 0.00 0.00 179.25 180.13 2nxy s THR 2010N -4.77 1.36 -0.15 0.00 2.01 -1.26 -0.53 115.64 112.29 2nxy s THR 2010Ca -0.13 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.21 2nxy s THR 2010Cb 0.09 -1.17 0.01 0.00 0.01 0.00 0.00 72.50 71.44 2nxy s THR 2010CO 0.79 0.39 -0.21 -0.22 -0.69 0.00 0.00 174.62 174.68 2nxy s LEU 2011N 0.06 2.14 -0.30 4.42 2.96 0.51 -4.94 118.68 123.53 2nxy s LEU 2011Ca -0.04 -0.61 -0.10 0.00 -0.22 0.00 0.00 54.13 53.16 2nxy s LEU 2011Cb -0.11 -1.46 -0.01 0.00 0.50 0.00 0.00 46.19 45.10 2nxy s LEU 2011CO 0.02 0.05 0.15 -0.44 -1.32 0.00 0.00 176.35 174.82 2nxy s SER 2012N 0.97 5.57 -0.04 3.68 0.01 -1.26 -0.74 113.70 121.88 2nxy s SER 2012Ca -0.03 -0.45 0.03 0.00 1.31 0.00 0.00 55.95 56.80 2nxy s SER 2012Cb -0.15 -2.01 0.00 0.00 0.21 0.00 0.00 66.02 64.08 2nxy s SER 2012CO -0.05 -0.17 -0.12 -0.69 0.41 0.00 0.00 173.24 172.62 2nxy s VAL 2013N 1.63 1.04 0.35 3.43 1.01 -0.55 -4.72 120.40 122.59 2nxy s VAL 2013Ca 0.05 -0.48 -0.28 0.00 0.00 0.00 0.00 61.98 61.27 2nxy s VAL 2013Cb -0.17 -0.92 -0.10 0.00 0.00 0.00 0.00 36.38 35.19 2nxy s VAL 2013CO 0.07 0.32 1.26 -0.55 0.00 0.00 0.00 175.10 176.19 2nxy s SER 2014N 0.27 6.69 0.32 3.32 0.15 -1.26 -1.82 113.70 121.37 2nxy s SER 2014Ca -0.06 2.58 -0.28 0.00 0.70 0.00 0.00 55.95 58.89 2nxy s SER 2014Cb -0.11 -2.64 -0.13 0.00 -1.71 0.00 0.00 66.02 61.43 2nxy s SER 2014CO 0.02 -0.58 1.19 -2.65 1.20 0.00 0.00 173.24 172.41 2nxy n PRO 2015N 0.58 1.84 -0.61 5.44 -0.02 -1.26 -2.53 135.00 138.44 2nxy n PRO 2015Ca 0.01 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 2nxy n PRO 2015Cb 0.43 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 2nxy n PRO 2015CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nxy n GLY 2016N 0.94 0.89 3.90 -1.23 0.00 0.05 -4.93 105.19 104.81 2nxy n GLY 2016Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 2nxy n GLY 2016CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nxy s GLU 2017N -0.35 2.43 0.32 1.61 2.02 -1.05 -4.32 118.70 119.36 2nxy s GLU 2017Ca 0.00 -1.69 -0.22 0.00 0.02 0.00 0.00 54.97 53.08 2nxy s GLU 2017Cb 0.00 -2.33 -0.10 0.00 0.10 0.00 0.00 34.13 31.80 2nxy s GLU 2017CO 0.00 -0.40 0.87 0.50 0.02 0.00 0.00 175.26 176.25 2nxy s ARG 2018N -4.24 4.35 -0.03 1.61 3.52 -1.25 -1.38 118.95 121.52 2nxy s ARG 2018Ca 0.46 1.08 0.04 0.00 -0.13 0.00 0.00 55.73 57.18 2nxy s ARG 2018Cb -0.03 -2.62 -0.00 0.00 -1.56 0.00 0.00 34.95 30.73 2nxy s ARG 2018CO 0.27 0.22 -0.15 0.00 -0.81 0.00 0.00 175.30 174.83 2nxy s ALA 2019N -1.78 1.32 -0.16 6.12 0.00 -0.46 -4.98 121.76 121.83 2nxy s ALA 2019Ca 0.52 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.89 2nxy s ALA 2019Cb -0.15 -0.43 0.03 0.00 0.00 0.00 0.00 23.12 22.57 2nxy s ALA 2019CO 0.20 0.24 -0.10 0.99 0.00 0.00 0.00 175.76 177.09 2nxy s THR 2020N 0.04 1.39 -0.08 0.00 2.01 -1.26 -1.06 115.64 116.67 2nxy s THR 2020Ca -0.02 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.33 2nxy s THR 2020Cb -0.10 -1.41 -0.03 0.00 0.01 0.00 0.00 72.50 70.97 2nxy s THR 2020CO 0.01 0.31 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.42 2nxy s LEU 2021N 1.54 3.14 -0.06 4.42 1.02 0.66 -4.84 118.68 124.55 2nxy s LEU 2021Ca 0.03 -0.05 0.02 0.00 0.02 0.00 0.00 54.13 54.15 2nxy s LEU 2021Cb -0.14 -1.69 -0.03 0.00 0.02 0.00 0.00 46.19 44.35 2nxy s LEU 2021CO -0.09 0.33 -0.11 -0.55 0.02 0.00 0.00 176.35 175.96 2nxy s SER 2022N -0.64 4.32 -0.05 2.29 0.15 -0.68 -0.88 113.70 118.21 2nxy s SER 2022Ca 0.10 -0.11 0.02 0.00 0.70 0.00 0.00 55.95 56.65 2nxy s SER 2022Cb -0.11 -1.00 0.02 0.00 -1.71 0.00 0.00 66.02 63.21 2nxy s SER 2022CO 0.02 0.35 -0.09 0.00 1.20 0.00 0.00 173.24 174.72 2nxy s ARG 2024N 0.75 1.86 0.10 0.00 6.06 0.20 -0.51 118.95 127.41 2nxy s ARG 2024Ca -0.13 -0.80 0.04 0.00 -2.50 0.00 0.00 55.73 52.34 2nxy s ARG 2024Cb -0.15 -1.77 -0.04 0.00 0.06 0.00 0.00 34.95 33.05 2nxy s ARG 2024CO 0.02 0.46 0.05 0.00 -2.50 0.00 0.00 175.30 173.34 2nxy s ALA 2025N -0.47 3.45 -0.42 6.12 0.00 -0.21 -0.51 121.76 129.72 2nxy s ALA 2025Ca 0.07 -1.09 0.26 0.00 0.00 0.00 0.00 51.96 51.20 2nxy s ALA 2025Cb -0.09 -1.31 0.86 0.00 0.00 0.00 0.00 23.12 22.57 2nxy s ALA 2025CO -0.00 0.69 1.77 0.66 0.00 0.00 0.00 175.76 178.87 2nxy h SER 2026N 3.22 0.00 -5.30 0.00 4.64 -1.63 -3.45 113.55 111.03 2nxy h SER 2026Ca -0.47 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.74 2nxy h SER 2026Cb 1.17 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.18 2nxy h SER 2026CO 0.63 0.00 -0.12 -1.83 -0.87 0.00 0.00 176.83 174.64 2nxy s GLU 2027N -3.30 1.68 0.27 4.77 -1.05 -1.26 -4.99 118.70 114.82 2nxy s GLU 2027Ca 0.06 -1.40 -0.30 0.00 -0.15 0.00 0.00 54.97 53.19 2nxy s GLU 2027Cb 0.09 0.47 -0.10 0.00 -0.44 0.00 0.00 34.13 34.15 2nxy s GLU 2027CO 0.55 -0.71 1.44 0.45 0.95 0.00 0.00 175.26 177.95 2nxy s SER 2028N -3.08 6.62 -0.11 0.83 0.15 -1.26 -4.63 113.70 112.22 2nxy s SER 2028Ca 0.24 2.72 0.16 0.00 0.70 0.00 0.00 55.95 59.77 2nxy s SER 2028Cb -0.01 -2.63 0.24 0.00 -1.71 0.00 0.00 66.02 61.91 2nxy s SER 2028CO 0.12 -0.71 1.12 1.33 1.20 0.00 0.00 173.24 176.30 2nxy n VAL 2029N 2.03 1.63 0.00 4.45 0.24 0.28 -4.98 118.33 121.98 2nxy n VAL 2029Ca 0.06 -1.95 0.00 0.00 -2.04 0.00 0.00 64.34 60.41 2nxy n VAL 2029Cb 0.40 -0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.66 2nxy n VAL 2029CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2nxy n SER 2030N -1.23 0.00 -0.11 -1.34 7.64 -1.23 -1.63 113.62 115.72 2nxy n SER 2030Ca 0.13 0.00 0.03 0.00 1.01 0.00 0.00 58.87 60.05 2nxy n SER 2030Cb 0.63 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.89 2nxy n SER 2030CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2nxy n SER 2031N 6.59 2.24 -4.14 6.43 7.64 -1.26 -0.40 113.62 130.72 2nxy n SER 2031Ca 0.00 -2.32 -0.43 0.00 1.01 0.00 0.00 58.87 57.13 2nxy n SER 2031Cb 0.00 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 2nxy n SER 2031CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2nxy n ASP 2032N -0.66 4.61 -3.73 6.43 8.00 -0.65 -2.26 116.55 128.29 2nxy n ASP 2032Ca 0.06 -2.93 -0.14 0.00 0.71 0.00 0.00 54.79 52.50 2nxy n ASP 2032Cb 0.39 -1.65 -0.14 0.00 -0.02 0.00 0.00 41.12 39.70 2nxy n ASP 2032CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2nxy s LEU 2033N 2.42 0.54 0.13 0.64 1.98 -1.26 -1.62 118.68 121.50 2nxy s LEU 2033Ca 0.48 0.37 0.08 0.00 -2.89 0.00 0.00 54.13 52.17 2nxy s LEU 2033Cb 0.08 0.46 -0.04 0.00 0.66 0.00 0.00 46.19 47.35 2nxy s LEU 2033CO -0.01 -0.16 -0.20 0.00 -1.89 0.00 0.00 176.35 174.09 2nxy s ALA 2034N 1.33 1.91 -0.04 5.97 0.00 0.14 -0.48 121.76 130.60 2nxy s ALA 2034Ca -0.08 -1.35 0.07 0.00 0.00 0.00 0.00 51.96 50.60 2nxy s ALA 2034Cb -0.11 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 2nxy s ALA 2034CO -0.07 0.33 -0.24 -1.58 0.00 0.00 0.00 175.76 174.20 2nxy s TRP 2035N -1.46 2.41 0.12 0.00 0.52 0.19 -0.39 118.94 120.33 2nxy s TRP 2035Ca 0.10 -0.54 0.09 0.00 0.02 0.00 0.00 56.10 55.77 2nxy s TRP 2035Cb -0.09 -1.56 -0.04 0.00 -1.15 0.00 0.00 33.47 30.64 2nxy s TRP 2035CO 0.05 -0.10 -0.21 0.71 0.02 0.00 0.00 176.95 177.42 2nxy s TYR 2036N -0.41 1.89 -0.08 -1.98 2.02 0.60 -0.41 117.35 118.97 2nxy s TYR 2036Ca 0.04 -0.42 0.02 0.00 -0.37 0.00 0.00 57.07 56.34 2nxy s TYR 2036Cb -0.12 -1.01 -0.02 0.00 -0.40 0.00 0.00 41.96 40.41 2nxy s TYR 2036CO 0.01 0.26 -0.13 -1.14 -1.57 0.00 0.00 175.55 172.98 2nxy s GLN 2037N -2.13 2.89 -0.06 -0.62 0.74 0.31 -1.35 119.66 119.44 2nxy s GLN 2037Ca 0.10 -0.67 -0.00 0.00 0.05 0.00 0.00 55.36 54.83 2nxy s GLN 2037Cb -0.09 -2.51 0.03 0.00 1.10 0.00 0.00 33.01 31.54 2nxy s GLN 2037CO 0.05 0.46 -0.02 -1.14 -0.55 0.00 0.00 175.29 174.10 2nxy s GLN 2038N -0.30 0.65 0.09 1.67 0.74 0.98 0.18 119.66 123.67 2nxy s GLN 2038Ca 0.03 0.03 0.01 0.00 0.05 0.00 0.00 55.36 55.47 2nxy s GLN 2038Cb -0.13 -0.87 -0.04 0.00 1.10 0.00 0.00 33.01 33.08 2nxy s GLN 2038CO 0.03 -0.20 0.22 0.15 -0.55 0.00 0.00 175.29 174.94 2nxy s LYS 2039N 1.48 3.39 0.14 1.67 1.02 -1.26 -1.30 119.74 124.88 2nxy s LYS 2039Ca -0.03 -0.52 -0.34 0.00 0.02 0.00 0.00 55.97 55.11 2nxy s LYS 2039Cb -0.13 -2.99 -0.14 0.00 -0.52 0.00 0.00 37.83 34.05 2nxy s LYS 2039CO -0.03 0.58 1.54 -2.30 -0.92 0.00 0.00 175.35 174.22 2nxy n PRO 2040N 0.02 1.98 -0.81 -1.68 -0.02 -1.26 -1.57 135.00 131.65 2nxy n PRO 2040Ca -0.06 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2nxy n PRO 2040Cb 0.52 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 2nxy n PRO 2040CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nxy n GLY 2041N 3.27 0.75 3.46 -1.23 0.00 -1.26 -5.02 105.19 105.16 2nxy n GLY 2041Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 2nxy n GLY 2041CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2nxy s GLN 2042N -0.19 1.63 0.58 1.61 -0.21 -0.61 -5.14 119.66 117.34 2nxy s GLN 2042Ca 0.00 -1.80 -0.17 0.00 0.02 0.00 0.00 55.36 53.41 2nxy s GLN 2042Cb 0.00 -1.49 -0.04 0.00 1.00 0.00 0.00 33.01 32.48 2nxy s GLN 2042CO 0.00 0.18 1.08 0.00 -2.12 0.00 0.00 175.29 174.43 2nxy s ALA 2043N -2.74 2.70 0.87 6.09 0.00 -1.26 -4.65 121.76 122.77 2nxy s ALA 2043Ca 0.29 0.55 -0.12 0.00 0.00 0.00 0.00 51.96 52.68 2nxy s ALA 2043Cb 0.00 -3.28 0.12 0.00 0.00 0.00 0.00 23.12 19.96 2nxy s ALA 2043CO 0.13 -0.81 1.17 -2.30 0.00 0.00 0.00 175.76 173.95 2nxy n PRO 2044N -1.78 -0.15 -4.33 0.00 -0.02 -1.26 -4.63 135.00 122.83 2nxy n PRO 2044Ca 0.10 0.03 -0.26 0.00 -2.02 0.00 0.00 63.50 61.35 2nxy n PRO 2044Cb 0.52 -2.40 -0.17 0.00 -0.02 0.00 0.00 33.50 31.43 2nxy n PRO 2044CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2nxy s ARG 2045N -4.37 1.77 0.08 -0.52 3.52 0.13 -4.93 118.95 114.63 2nxy s ARG 2045Ca 0.70 -0.40 -0.31 0.00 -0.13 0.00 0.00 55.73 55.59 2nxy s ARG 2045Cb -0.26 -1.58 -0.07 0.00 -1.56 0.00 0.00 34.95 31.48 2nxy s ARG 2045CO 0.55 -0.09 1.41 -1.17 -0.81 0.00 0.00 175.30 175.18 2nxy s LEU 2046N 1.08 4.36 -0.15 -0.88 2.96 -1.26 -0.53 118.68 124.26 2nxy s LEU 2046Ca -0.06 2.28 -0.09 0.00 -0.22 0.00 0.00 54.13 56.04 2nxy s LEU 2046Cb -0.14 -3.58 -0.07 0.00 0.50 0.00 0.00 46.19 42.90 2nxy s LEU 2046CO -0.02 -0.68 -0.21 0.18 -1.32 0.00 0.00 176.35 174.30 2nxy n LEU 2047N 4.40 1.22 -4.04 -0.68 4.77 0.46 -4.72 117.00 118.41 2nxy n LEU 2047Ca 0.12 0.21 -0.18 0.00 -0.03 0.00 0.00 56.01 56.13 2nxy n LEU 2047Cb 0.43 -0.50 -0.14 0.00 -2.33 0.00 0.00 43.42 40.87 2nxy n LEU 2047CO 0.59 0.24 -0.43 -0.63 -1.33 0.00 0.00 177.39 175.83 2nxy s ILE 2048N -2.33 0.72 0.12 -0.08 -1.09 -1.08 -0.99 121.20 116.46 2nxy s ILE 2048Ca -0.22 -0.52 0.00 0.00 -2.23 0.00 0.00 60.65 57.68 2nxy s ILE 2048Cb 0.08 -0.63 -0.04 0.00 -1.58 0.00 0.00 42.46 40.29 2nxy s ILE 2048CO 0.29 0.11 -0.00 -0.72 -1.23 0.00 0.00 174.94 173.38 2nxy s TYR 2049N -0.41 0.90 -1.72 3.97 -0.85 -0.37 -0.64 117.35 118.23 2nxy s TYR 2049Ca 0.02 -1.07 0.00 0.00 -0.52 0.00 0.00 57.07 55.50 2nxy s TYR 2049Cb -0.05 -0.53 0.00 0.00 0.38 0.00 0.00 41.96 41.76 2nxy s TYR 2049CO -0.00 -0.32 0.00 0.41 -1.52 0.00 0.00 175.55 174.12 2nxy n GLY 2050N -0.08 -0.43 4.32 5.49 0.00 -1.03 -1.33 105.19 112.12 2nxy n GLY 2050Ca -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2nxy n GLY 2050CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nxy n ALA 2051N -1.94 0.00 -0.95 4.61 0.00 0.37 -4.31 120.51 118.29 2nxy n ALA 2051Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2nxy n ALA 2051Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.13 2nxy n ALA 2051CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2nxy n SER 2052N 1.21 0.06 -4.62 0.00 3.41 -1.19 -3.19 113.62 109.30 2nxy n SER 2052Ca 0.00 -1.01 -0.39 0.00 -0.26 0.00 0.00 58.87 57.21 2nxy n SER 2052Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 2nxy n SER 2052CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2nxy s THR 2053N -0.01 5.12 0.12 6.66 2.01 -0.44 -4.51 115.64 124.59 2nxy s THR 2053Ca 0.00 0.75 -0.31 0.00 0.31 0.00 0.00 61.69 62.45 2nxy s THR 2053Cb 0.00 -3.77 -0.07 0.00 0.01 0.00 0.00 72.50 68.67 2nxy s THR 2053CO 0.00 0.14 1.28 -0.13 -0.69 0.00 0.00 174.62 175.21 2nxy s ARG 2054N 2.07 4.40 0.81 4.92 0.52 -1.26 -1.24 118.95 129.17 2nxy s ARG 2054Ca 0.19 1.93 -0.11 0.00 -0.52 0.00 0.00 55.73 57.22 2nxy s ARG 2054Cb -0.16 -3.27 0.08 0.00 0.52 0.00 0.00 34.95 32.12 2nxy s ARG 2054CO 0.09 -0.28 1.09 0.00 0.02 0.00 0.00 175.30 176.22 2nxy s ALA 2055N 0.72 2.03 0.42 2.13 0.00 -0.16 -4.95 121.76 121.95 2nxy s ALA 2055Ca 0.59 0.19 -0.26 0.00 0.00 0.00 0.00 51.96 52.47 2nxy s ALA 2055Cb -0.33 -3.26 -0.09 0.00 0.00 0.00 0.00 23.12 19.44 2nxy s ALA 2055CO 0.32 -1.97 1.44 0.95 0.00 0.00 0.00 175.76 176.50 2nxy s THR 2056N -2.90 2.11 0.00 0.00 -4.23 -1.26 -2.41 115.64 106.95 2nxy s THR 2056Ca 0.62 0.10 0.00 0.00 -1.18 0.00 0.00 61.69 61.23 2nxy s THR 2056Cb -0.18 -3.06 0.00 0.00 1.34 0.00 0.00 72.50 70.60 2nxy s THR 2056CO 0.56 0.02 0.00 0.61 -0.54 0.00 0.00 174.62 175.27 2nxy n GLY 2057N 0.55 0.91 3.64 3.99 0.00 -1.26 -5.02 105.19 108.00 2nxy n GLY 2057Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 2nxy n GLY 2057CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nxy s VAL 2058N -3.62 5.20 0.76 1.61 1.01 -1.01 -5.06 120.40 119.28 2nxy s VAL 2058Ca 0.00 0.61 -0.15 0.00 0.00 0.00 0.00 61.98 62.44 2nxy s VAL 2058Cb 0.00 -3.70 0.06 0.00 0.00 0.00 0.00 36.38 32.74 2nxy s VAL 2058CO 0.00 0.22 1.23 -2.84 0.00 0.00 0.00 175.10 173.70 2nxy s PRO 2059N 1.62 1.92 0.44 2.72 0.02 -1.26 -4.90 135.00 135.56 2nxy s PRO 2059Ca 0.16 1.82 0.31 0.00 0.02 0.00 0.00 61.00 63.31 2nxy s PRO 2059Cb -0.15 -1.80 1.43 0.00 0.02 0.00 0.00 34.50 34.00 2nxy s PRO 2059CO 0.08 -2.02 1.92 0.00 -0.33 0.00 0.00 177.00 176.65 2nxy h ALA 2060N -0.49 1.00 0.00 -1.55 0.00 -2.00 -2.58 119.26 113.64 2nxy h ALA 2060Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2nxy h ALA 2060Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2nxy h ALA 2060CO 0.48 0.00 0.00 0.07 0.00 0.00 0.00 179.25 179.80 2nxy h ARG 2061N 0.00 0.00 -5.88 0.00 0.11 -1.94 -3.40 114.38 103.27 2nxy h ARG 2061Ca 0.00 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.51 2nxy h ARG 2061Cb 0.27 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.28 2nxy h ARG 2061CO 0.00 0.00 -0.01 -0.06 0.10 0.00 0.00 179.97 180.00 2nxy s PHE 2062N -3.38 3.54 -0.09 4.08 0.08 -0.97 -1.32 117.98 119.92 2nxy s PHE 2062Ca 0.03 1.07 -0.07 0.00 0.12 0.00 0.00 56.93 58.09 2nxy s PHE 2062Cb 0.09 -2.69 0.03 0.00 -0.57 0.00 0.00 43.02 39.88 2nxy s PHE 2062CO 0.40 0.11 0.23 -1.54 -0.10 0.00 0.00 175.22 174.32 2nxy s SER 2063N 0.74 -0.24 0.08 1.36 1.04 -0.48 -4.97 113.70 111.24 2nxy s SER 2063Ca 0.32 0.46 0.05 0.00 0.48 0.00 0.00 55.95 57.26 2nxy s SER 2063Cb -0.16 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.34 2nxy s SER 2063CO 0.14 -0.11 -0.01 -0.83 0.98 0.00 0.00 173.24 173.41 2nxy s GLY 2064N 0.51 1.90 0.23 7.32 0.00 -1.26 -1.11 107.32 114.91 2nxy s GLY 2064Ca -0.03 -1.10 -0.09 0.00 0.00 0.00 0.00 44.72 43.49 2nxy s GLY 2064CO -0.03 -1.07 0.37 -1.35 0.00 0.00 0.00 173.10 171.03 2nxy s SER 2065N -2.18 -0.02 0.00 1.64 1.04 -0.57 -4.32 113.70 109.29 2nxy s SER 2065Ca 0.24 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.61 2nxy s SER 2065Cb -0.12 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2nxy s SER 2065CO 0.17 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 173.95 2nxy n GLY 2066N -0.35 1.88 3.63 7.32 0.00 -1.26 -1.57 105.19 114.84 2nxy n GLY 2066Ca -0.00 -2.07 -0.05 0.00 0.00 0.00 0.00 46.02 43.89 2nxy n GLY 2066CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2nxy s SER 2067N 0.00 -0.25 0.51 1.61 1.04 -1.17 -4.87 113.70 110.57 2nxy s SER 2067Ca 0.00 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.24 2nxy s SER 2067Cb 0.00 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.52 2nxy s SER 2067CO 0.00 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.13 2nxy n GLY 2068N -0.35 1.86 0.00 7.32 0.00 0.46 -3.54 105.19 110.94 2nxy n GLY 2068Ca -0.07 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2nxy n GLY 2068CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nxy n ALA 2069N 5.56 1.58 -3.75 4.61 0.00 -1.26 -0.56 120.51 126.68 2nxy n ALA 2069Ca 0.00 -0.67 -0.15 0.00 0.00 0.00 0.00 53.44 52.61 2nxy n ALA 2069Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 2nxy n ALA 2069CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2nxy s GLU 2070N -0.45 -0.03 0.06 0.00 -1.05 -1.23 -1.04 118.70 114.96 2nxy s GLU 2070Ca 0.00 0.24 0.01 0.00 -0.15 0.00 0.00 54.97 55.07 2nxy s GLU 2070Cb 0.00 -0.27 -0.03 0.00 -0.44 0.00 0.00 34.13 33.38 2nxy s GLU 2070CO 0.00 -0.19 -0.05 -0.06 0.95 0.00 0.00 175.26 175.90 2nxy s PHE 2071N 1.24 0.66 -0.01 4.83 0.40 0.34 -3.02 117.98 122.41 2nxy s PHE 2071Ca -0.07 -0.81 0.01 0.00 -0.60 0.00 0.00 56.93 55.45 2nxy s PHE 2071Cb -0.13 -0.41 0.01 0.00 0.51 0.00 0.00 43.02 43.00 2nxy s PHE 2071CO -0.03 -0.20 -0.02 0.99 0.70 0.00 0.00 175.22 176.65 2nxy s THR 2072N -2.92 0.22 -0.21 0.64 2.01 -0.61 -1.14 115.64 113.64 2nxy s THR 2072Ca 0.02 -0.07 -0.04 0.00 0.31 0.00 0.00 61.69 61.91 2nxy s THR 2072Cb 0.01 -0.22 -0.01 0.00 0.01 0.00 0.00 72.50 72.28 2nxy s THR 2072CO -0.05 0.09 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.72 2nxy s LEU 2073N 0.25 3.00 -0.11 4.42 0.20 -0.06 -1.52 118.68 124.85 2nxy s LEU 2073Ca -0.02 -0.33 0.01 0.00 0.69 0.00 0.00 54.13 54.49 2nxy s LEU 2073Cb -0.05 -1.76 -0.01 0.00 -0.43 0.00 0.00 46.19 43.94 2nxy s LEU 2073CO -0.01 0.02 -0.17 -0.89 -0.29 0.00 0.00 176.35 175.02 2nxy s THR 2074N 1.24 2.74 -0.30 3.68 2.01 -0.27 -0.25 115.64 124.50 2nxy s THR 2074Ca 0.03 -0.78 -0.03 0.00 0.31 0.00 0.00 61.69 61.22 2nxy s THR 2074Cb -0.14 -2.12 0.04 0.00 0.01 0.00 0.00 72.50 70.29 2nxy s THR 2074CO -0.01 0.54 0.01 -0.63 -0.69 0.00 0.00 174.62 173.85 2nxy s ILE 2075N 0.25 3.20 0.24 1.82 1.01 -0.23 -1.38 121.20 126.12 2nxy s ILE 2075Ca -0.11 -1.20 0.24 0.00 0.00 0.00 0.00 60.65 59.58 2nxy s ILE 2075Cb -0.16 -2.77 0.24 0.00 0.01 0.00 0.00 42.46 39.78 2nxy s ILE 2075CO 0.06 -0.04 1.90 0.77 0.00 0.00 0.00 174.94 177.63 2nxy h SER 2076N 8.06 0.00 -1.12 3.58 4.64 -1.49 -1.21 113.55 126.01 2nxy h SER 2076Ca -0.25 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.09 2nxy h SER 2076Cb 1.08 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.95 2nxy h SER 2076CO 0.56 0.21 -0.37 -0.55 -0.87 0.00 0.00 176.83 175.81 2nxy s SER 2077N -6.23 -1.27 -0.04 4.97 0.15 -1.26 -3.92 113.70 106.11 2nxy s SER 2077Ca -0.01 0.32 -0.30 0.00 0.70 0.00 0.00 55.95 56.66 2nxy s SER 2077Cb 0.11 1.93 -0.06 0.00 -1.71 0.00 0.00 66.02 66.30 2nxy s SER 2077CO 0.63 -0.30 1.68 -0.76 1.20 0.00 0.00 173.24 175.69 2nxy s LEU 2078N 2.79 4.33 0.35 3.45 1.43 -0.48 -4.81 118.68 125.75 2nxy s LEU 2078Ca 0.13 2.28 0.01 0.00 -1.03 0.00 0.00 54.13 55.52 2nxy s LEU 2078Cb -0.12 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.54 2nxy s LEU 2078CO -0.25 -0.93 0.54 -1.10 0.23 0.00 0.00 176.35 174.84 2nxy s GLN 2079N 4.02 3.45 0.42 1.70 -1.52 -1.26 -0.77 119.66 125.69 2nxy s GLN 2079Ca 0.75 -0.39 0.21 0.00 -1.95 0.00 0.00 55.36 53.98 2nxy s GLN 2079Cb -0.34 -2.67 1.17 0.00 -0.22 0.00 0.00 33.01 30.94 2nxy s GLN 2079CO 0.31 0.14 1.78 1.03 -0.25 0.00 0.00 175.29 178.29 2nxy h SER 2080N 0.76 0.38 0.31 5.90 0.87 -2.00 0.42 113.55 120.18 2nxy h SER 2080Ca -0.50 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 2nxy h SER 2080Cb 1.22 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 2nxy h SER 2080CO 0.61 0.07 -0.08 -1.84 -0.53 0.00 0.00 176.83 175.06 2nxy n GLU 2081N -4.56 0.77 0.01 2.24 0.00 -1.26 -3.63 120.64 114.21 2nxy n GLU 2081Ca 0.25 -0.24 0.13 0.00 0.00 0.00 0.00 57.16 57.30 2nxy n GLU 2081Cb 0.93 -1.50 0.34 0.00 0.00 0.00 0.00 31.44 31.21 2nxy n GLU 2081CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2nxy n ASP 2082N -0.91 0.40 -4.62 -1.84 8.00 0.14 -4.81 116.55 112.90 2nxy n ASP 2082Ca 0.16 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.23 2nxy n ASP 2082Cb 0.26 0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.36 2nxy n ASP 2082CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2nxy s PHE 2083N -3.02 2.96 0.04 1.24 0.40 -1.24 -4.90 117.98 113.46 2nxy s PHE 2083Ca 0.11 0.97 -0.07 0.00 -0.60 0.00 0.00 56.93 57.34 2nxy s PHE 2083Cb 0.17 -4.02 0.02 0.00 0.51 0.00 0.00 43.02 39.71 2nxy s PHE 2083CO 0.66 -1.08 0.33 0.00 0.70 0.00 0.00 175.22 175.83 2nxy n ALA 2084N 7.37 -0.89 -2.85 5.36 0.00 -1.06 -4.97 120.51 123.48 2nxy n ALA 2084Ca 0.12 -0.29 -0.37 0.00 0.00 0.00 0.00 53.44 52.90 2nxy n ALA 2084Cb 0.48 0.14 -0.06 0.00 0.00 0.00 0.00 19.45 20.01 2nxy n ALA 2084CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2nxy s VAL 2085N -2.34 5.48 -0.08 0.00 1.01 -0.42 -0.89 120.40 123.16 2nxy s VAL 2085Ca 0.08 0.24 0.05 0.00 0.00 0.00 0.00 61.98 62.34 2nxy s VAL 2085Cb -0.01 -3.42 -0.00 0.00 0.00 0.00 0.00 36.38 32.95 2nxy s VAL 2085CO 0.01 0.60 -0.24 -0.31 0.00 0.00 0.00 175.10 175.16 2nxy s TYR 2086N -0.87 2.46 0.00 5.22 2.02 -0.18 -0.02 117.35 125.99 2nxy s TYR 2086Ca 0.15 -0.89 0.08 0.00 -0.37 0.00 0.00 57.07 56.04 2nxy s TYR 2086Cb -0.12 -1.64 -0.02 0.00 -0.40 0.00 0.00 41.96 39.78 2nxy s TYR 2086CO 0.04 -0.32 -0.24 0.71 -1.57 0.00 0.00 175.55 174.16 2nxy s TYR 2087N 0.13 2.17 0.13 2.71 2.02 -0.46 -0.94 117.35 123.10 2nxy s TYR 2087Ca -0.12 -0.41 0.02 0.00 -0.37 0.00 0.00 57.07 56.20 2nxy s TYR 2087Cb -0.16 -1.36 -0.04 0.00 -0.40 0.00 0.00 41.96 40.00 2nxy s TYR 2087CO 0.06 0.02 0.23 0.00 -1.57 0.00 0.00 175.55 174.29 2nxy s GLN 2089N -3.00 0.19 -0.16 0.00 0.74 0.47 -1.07 119.66 116.84 2nxy s GLN 2089Ca 0.34 0.11 -0.13 0.00 0.05 0.00 0.00 55.36 55.73 2nxy s GLN 2089Cb -0.11 -0.41 -0.05 0.00 1.10 0.00 0.00 33.01 33.54 2nxy s GLN 2089CO 0.27 -0.15 0.27 -1.14 -0.55 0.00 0.00 175.29 174.00 2nxy s GLN 2090N 1.05 4.19 -0.29 1.67 -0.44 -0.36 -0.68 119.66 124.80 2nxy s GLN 2090Ca -0.09 0.06 0.19 0.00 -2.50 0.00 0.00 55.36 53.02 2nxy s GLN 2090Cb -0.13 -3.40 0.49 0.00 -1.64 0.00 0.00 33.01 28.32 2nxy s GLN 2090CO -0.02 0.29 1.09 2.48 0.50 0.00 0.00 175.29 179.63 2nxy n TYR 2091N 3.41 1.55 -0.01 1.67 0.18 -0.64 -2.77 117.16 120.56 2nxy n TYR 2091Ca -0.13 -2.34 -0.11 0.00 1.88 0.00 0.00 57.90 57.20 2nxy n TYR 2091Cb 0.52 -0.27 -0.14 0.00 -0.38 0.00 0.00 39.34 39.07 2nxy n TYR 2091CO 0.00 0.00 0.00 -0.97 -2.08 0.00 0.00 176.86 173.81 2nxy h ASN 2092N 2.63 0.08 -4.29 9.48 -0.00 -1.83 -3.48 115.58 118.18 2nxy h ASN 2092Ca -0.04 -0.16 -0.50 0.00 -0.00 0.00 0.00 56.30 55.60 2nxy h ASN 2092Cb 1.27 -0.03 0.07 0.00 -0.00 0.00 0.00 38.32 39.63 2nxy h ASN 2092CO 0.36 1.14 0.38 0.54 -0.00 0.00 0.00 177.43 179.86 2nxy s ASN 2093N -6.32 5.89 -0.16 1.15 2.20 -1.26 -5.08 114.94 111.36 2nxy s ASN 2093Ca -0.07 1.60 -0.07 0.00 -0.94 0.00 0.00 52.86 53.38 2nxy s ASN 2093Cb 0.08 -2.50 0.06 0.00 -2.00 0.00 0.00 41.25 36.89 2nxy s ASN 2093CO 0.82 -1.10 0.35 0.86 -2.94 0.00 0.00 177.10 175.10 2nxy s TRP 2094N -2.88 -0.56 0.62 1.54 -0.11 -1.26 -3.82 118.94 112.46 2nxy s TRP 2094Ca 0.59 1.18 -0.18 0.00 1.22 0.00 0.00 56.10 58.91 2nxy s TRP 2094Cb -0.13 0.18 -0.04 0.00 -1.50 0.00 0.00 33.47 31.98 2nxy s TRP 2094CO 0.47 -0.35 0.91 -2.30 -4.62 0.00 0.00 176.95 171.05 2nxy n PRO 2095N 4.66 0.78 -2.18 5.86 -0.02 -1.26 -5.08 135.00 137.76 2nxy n PRO 2095Ca -0.18 0.31 -0.42 0.00 -2.02 0.00 0.00 63.50 61.19 2nxy n PRO 2095Cb 0.53 -2.12 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 2nxy n PRO 2095CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2nxy s PRO 2096N -2.77 4.28 -0.39 0.52 0.04 -1.25 -4.93 135.00 130.50 2nxy s PRO 2096Ca 0.75 2.03 0.09 0.00 0.04 0.00 0.00 61.00 63.91 2nxy s PRO 2096Cb -0.41 -3.51 0.27 0.00 0.04 0.00 0.00 34.50 30.89 2nxy s PRO 2096CO 0.48 -0.56 0.56 0.54 0.04 0.00 0.00 177.00 178.05 2nxy n ARG 2097N 5.12 0.75 -2.38 4.56 1.74 -1.26 -5.10 116.66 120.09 2nxy n ARG 2097Ca 0.13 -3.24 -0.37 0.00 -0.77 0.00 0.00 57.85 53.60 2nxy n ARG 2097Cb 0.43 -1.30 -0.02 0.00 -1.02 0.00 0.00 32.46 30.55 2nxy n ARG 2097CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2nxy s TYR 2098N -1.38 3.07 0.04 -1.55 2.02 -1.26 -4.79 117.35 113.50 2nxy s TYR 2098Ca 0.36 1.58 0.00 0.00 -0.37 0.00 0.00 57.07 58.64 2nxy s TYR 2098Cb 0.20 -3.28 -0.03 0.00 -0.40 0.00 0.00 41.96 38.46 2nxy s TYR 2098CO -0.11 -1.11 -0.04 0.95 -1.57 0.00 0.00 175.55 173.68 2nxy s THR 2099N -1.57 0.24 0.11 -0.71 -4.23 -1.11 -5.01 115.64 103.36 2nxy s THR 2099Ca 0.60 -1.31 0.07 0.00 -1.18 0.00 0.00 61.69 59.87 2nxy s THR 2099Cb -0.26 -0.84 -0.04 0.00 1.34 0.00 0.00 72.50 72.70 2nxy s THR 2099CO 0.32 -0.68 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.28 2nxy s PHE 2100N -2.45 2.77 0.90 3.99 0.08 -1.26 -1.23 117.98 120.78 2nxy s PHE 2100Ca -0.05 -0.14 -0.12 0.00 0.12 0.00 0.00 56.93 56.74 2nxy s PHE 2100Cb -0.03 -1.44 0.13 0.00 -0.57 0.00 0.00 43.02 41.12 2nxy s PHE 2100CO -0.04 0.44 1.09 0.20 -0.10 0.00 0.00 175.22 176.81 2nxy s GLY 2101N -2.30 1.61 0.00 4.36 0.00 -0.23 -4.49 107.32 106.28 2nxy s GLY 2101Ca 0.22 -0.08 0.23 0.00 0.00 0.00 0.00 44.72 45.09 2nxy s GLY 2101CO 0.15 0.41 1.75 -1.06 0.00 0.00 0.00 173.10 174.35 2nxy n GLN 2102N -3.89 1.29 0.00 2.90 1.13 -1.26 -4.68 117.38 112.86 2nxy n GLN 2102Ca 0.07 -0.43 0.00 0.00 -1.94 0.00 0.00 57.00 54.70 2nxy n GLN 2102Cb 0.55 -1.38 0.00 0.00 0.11 0.00 0.00 30.24 29.53 2nxy n GLN 2102CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2nxy n GLY 2103N 0.97 0.91 3.10 1.08 0.00 -1.26 -5.01 105.19 104.98 2nxy n GLY 2103Ca 0.17 -1.61 -0.32 0.00 0.00 0.00 0.00 46.02 44.26 2nxy n GLY 2103CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nxy s THR 2104N -2.34 1.93 -0.31 2.61 2.01 -0.11 -4.72 115.64 114.70 2nxy s THR 2104Ca 0.00 -0.87 -0.24 0.00 0.31 0.00 0.00 61.69 60.89 2nxy s THR 2104Cb 0.00 -1.75 0.00 0.00 0.01 0.00 0.00 72.50 70.77 2nxy s THR 2104CO 0.00 0.52 0.83 -0.60 -0.69 0.00 0.00 174.62 174.68 2nxy s ARG 2105N 1.24 3.96 -0.40 4.92 3.52 0.31 -1.01 118.95 131.50 2nxy s ARG 2105Ca 0.02 0.64 -0.15 0.00 -0.13 0.00 0.00 55.73 56.11 2nxy s ARG 2105Cb -0.13 -3.74 0.01 0.00 -1.56 0.00 0.00 34.95 29.53 2nxy s ARG 2105CO -0.10 -0.73 0.34 -1.17 -0.81 0.00 0.00 175.30 172.83 2nxy s LEU 2106N 3.08 4.87 0.35 -0.88 2.96 -0.07 -0.36 118.68 128.64 2nxy s LEU 2106Ca 0.34 -0.68 0.09 0.00 -0.22 0.00 0.00 54.13 53.66 2nxy s LEU 2106Cb -0.14 -2.25 -0.07 0.00 0.50 0.00 0.00 46.19 44.24 2nxy s LEU 2106CO 0.13 -0.45 -0.07 -1.83 -1.32 0.00 0.00 176.35 172.82 2nxy s GLU 2107N 1.87 1.83 -0.14 1.98 -1.05 0.08 -2.55 118.70 120.72 2nxy s GLU 2107Ca 0.08 -1.96 -0.27 0.00 -0.15 0.00 0.00 54.97 52.67 2nxy s GLU 2107Cb -0.18 -1.65 -0.01 0.00 -0.44 0.00 0.00 34.13 31.85 2nxy s GLU 2107CO 0.11 0.09 0.90 0.42 0.95 0.00 0.00 175.26 177.74 2nxy s ILE 2108N -2.66 4.84 -0.28 1.83 1.01 -1.26 -1.48 121.20 123.19 2nxy s ILE 2108Ca 0.33 1.81 -0.23 0.00 0.00 0.00 0.00 60.65 62.55 2nxy s ILE 2108Cb 0.04 -4.21 -0.00 0.00 0.01 0.00 0.00 42.46 38.30 2nxy s ILE 2108CO 0.16 0.02 0.79 -0.75 0.00 0.00 0.00 174.94 175.16 2nxy s LYS 2109N 2.06 4.04 0.43 2.79 2.20 -0.75 -4.79 119.74 125.72 2nxy s LYS 2109Ca 0.43 0.69 0.03 0.00 -0.36 0.00 0.00 55.97 56.75 2nxy s LYS 2109Cb -0.17 -3.70 -0.02 0.00 -1.51 0.00 0.00 37.83 32.43 2nxy s LYS 2109CO 0.15 -0.61 0.10 -0.98 -0.36 0.00 0.00 175.35 173.65 2nxy s ARG 2110N 2.89 1.99 0.74 4.03 1.70 -1.26 -4.37 118.95 124.67 2nxy s ARG 2110Ca 0.33 -2.22 -0.12 0.00 -0.47 0.00 0.00 55.73 53.24 2nxy s ARG 2110Cb -0.15 -0.80 0.04 0.00 -0.57 0.00 0.00 34.95 33.47 2nxy s ARG 2110CO 0.11 -0.45 1.10 0.95 -1.08 0.00 0.00 175.30 175.92 2nxy s THR 2111N -3.14 3.33 0.35 4.99 -4.23 -1.26 -4.95 115.64 110.73 2nxy s THR 2111Ca 0.20 0.48 -0.28 0.00 -1.18 0.00 0.00 61.69 60.91 2nxy s THR 2111Cb 0.02 -2.98 -0.11 0.00 1.34 0.00 0.00 72.50 70.77 2nxy s THR 2111CO 0.12 -0.51 1.46 -0.69 -0.54 0.00 0.00 174.62 174.46 2nxy s VAL 2112N -2.75 2.22 -0.05 2.29 1.01 -1.26 -4.78 120.40 117.09 2nxy s VAL 2112Ca 0.63 0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.81 2nxy s VAL 2112Cb -0.18 -3.14 0.03 0.00 0.00 0.00 0.00 36.38 33.09 2nxy s VAL 2112CO 0.52 0.05 0.03 0.00 0.00 0.00 0.00 175.10 175.70 2nxy s ALA 2113N -0.96 0.39 0.42 5.51 0.00 0.34 -4.91 121.76 122.55 2nxy s ALA 2113Ca 0.53 0.09 -0.24 0.00 0.00 0.00 0.00 51.96 52.34 2nxy s ALA 2113Cb -0.45 -0.60 -0.08 0.00 0.00 0.00 0.00 23.12 21.99 2nxy s ALA 2113CO 0.59 -0.40 1.18 0.00 0.00 0.00 0.00 175.76 177.13 2nxy s ALA 2114N 1.88 3.09 0.51 0.00 0.00 -1.26 -0.97 121.76 125.01 2nxy s ALA 2114Ca 0.02 0.99 -0.20 0.00 0.00 0.00 0.00 51.96 52.76 2nxy s ALA 2114Cb -0.12 -3.39 -0.07 0.00 0.00 0.00 0.00 23.12 19.53 2nxy s ALA 2114CO -0.04 -0.62 1.11 -1.25 0.00 0.00 0.00 175.76 174.96 2nxy s PRO 2115N -2.45 3.58 -0.18 0.00 0.04 -1.26 -4.60 135.00 130.13 2nxy s PRO 2115Ca 0.60 1.57 -0.19 0.00 0.04 0.00 0.00 61.00 63.02 2nxy s PRO 2115Cb -0.31 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 32.08 2nxy s PRO 2115CO 0.38 -0.66 0.52 -1.12 0.04 0.00 0.00 177.00 176.17 2nxy s SER 2116N -1.75 6.60 -0.17 6.66 0.01 -0.64 -4.84 113.70 119.59 2nxy s SER 2116Ca 0.69 0.72 -0.05 0.00 1.31 0.00 0.00 55.95 58.62 2nxy s SER 2116Cb -0.23 -2.30 -0.03 0.00 0.21 0.00 0.00 66.02 63.68 2nxy s SER 2116CO 0.26 -0.15 -0.00 -0.69 0.41 0.00 0.00 173.24 173.07 2nxy s VAL 2117N 1.43 4.20 0.03 3.43 1.01 -1.26 -0.31 120.40 128.93 2nxy s VAL 2117Ca 0.25 -0.25 0.05 0.00 0.00 0.00 0.00 61.98 62.03 2nxy s VAL 2117Cb -0.15 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.34 2nxy s VAL 2117CO 0.10 0.48 -0.15 -0.36 0.00 0.00 0.00 175.10 175.17 2nxy s PHE 2118N 0.37 1.33 -0.01 5.22 0.40 -0.00 -4.98 117.98 120.31 2nxy s PHE 2118Ca -0.02 -0.33 0.08 0.00 -0.60 0.00 0.00 56.93 56.06 2nxy s PHE 2118Cb -0.14 -0.81 -0.02 0.00 0.51 0.00 0.00 43.02 42.57 2nxy s PHE 2118CO 0.02 0.03 -0.24 -1.50 0.70 0.00 0.00 175.22 174.22 2nxy s ILE 2119N -0.71 1.94 -0.17 0.64 2.07 -1.26 -0.04 121.20 123.66 2nxy s ILE 2119Ca 0.03 -1.09 0.01 0.00 -1.41 0.00 0.00 60.65 58.19 2nxy s ILE 2119Cb -0.07 -1.62 0.03 0.00 0.13 0.00 0.00 42.46 40.93 2nxy s ILE 2119CO 0.01 0.51 -0.14 -0.36 -1.91 0.00 0.00 174.94 173.05 2nxy s PHE 2120N -0.61 2.39 0.82 3.50 0.08 0.29 -5.00 117.98 119.45 2nxy s PHE 2120Ca 0.10 -1.45 -0.11 0.00 0.12 0.00 0.00 56.93 55.58 2nxy s PHE 2120Cb -0.09 -1.68 0.09 0.00 -0.57 0.00 0.00 43.02 40.76 2nxy s PHE 2120CO -0.00 -0.72 1.09 -1.25 -0.10 0.00 0.00 175.22 174.23 2nxy s PRO 2121N 1.41 1.86 0.66 0.24 0.04 -1.26 -1.93 135.00 136.02 2nxy s PRO 2121Ca 0.03 0.93 -0.17 0.00 0.04 0.00 0.00 61.00 61.82 2nxy s PRO 2121Cb -0.14 -1.87 -0.00 0.00 0.04 0.00 0.00 34.50 32.53 2nxy s PRO 2121CO -0.10 -1.85 1.25 -1.25 0.04 0.00 0.00 177.00 175.09 2nxy s PRO 2122N -4.96 2.51 0.48 0.56 0.04 -1.19 -4.86 135.00 127.59 2nxy s PRO 2122Ca 0.62 1.92 -0.18 0.00 0.04 0.00 0.00 61.00 63.40 2nxy s PRO 2122Cb -0.17 -1.86 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 2nxy s PRO 2122CO 0.56 -1.59 0.98 -1.54 0.04 0.00 0.00 177.00 175.45 2nxy s SER 2123N -1.63 6.69 0.36 6.66 1.04 -1.26 -4.94 113.70 120.64 2nxy s SER 2123Ca 0.79 1.65 0.07 0.00 0.48 0.00 0.00 55.95 58.93 2nxy s SER 2123Cb -0.33 -2.52 0.76 0.00 0.10 0.00 0.00 66.02 64.02 2nxy s SER 2123CO 0.40 -0.54 1.95 0.44 0.98 0.00 0.00 173.24 176.47 2nxy h ASP 2124N 1.31 0.65 -0.36 7.02 5.19 -1.99 -1.74 116.42 126.50 2nxy h ASP 2124Ca -0.48 0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 55.92 2nxy h ASP 2124Cb 1.19 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 40.55 2nxy h ASP 2124CO 0.61 0.41 0.16 -0.08 -3.12 0.00 0.00 179.24 177.22 2nxy h GLU 2125N 0.73 0.54 -0.49 3.56 4.81 -1.99 -1.42 114.58 120.32 2nxy h GLU 2125Ca 0.32 -0.09 -0.12 0.00 -0.13 0.00 0.00 59.36 59.34 2nxy h GLU 2125Cb 0.32 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 2nxy h GLU 2125CO -0.11 0.51 -0.16 0.37 -0.73 0.00 0.00 179.01 178.88 2nxy h GLN 2126N 0.44 0.96 -0.86 1.92 4.15 -1.77 -2.54 115.11 117.41 2nxy h GLN 2126Ca 0.12 -0.38 0.08 0.00 0.77 0.00 0.00 58.65 59.25 2nxy h GLN 2126Cb 0.16 -0.05 -0.06 0.00 0.21 0.00 0.00 27.48 27.74 2nxy h GLN 2126CO -0.01 1.04 0.56 -0.07 -1.93 0.00 0.00 178.83 178.42 2nxy h LEU 2127N 0.84 0.79 -1.18 -2.39 4.07 -1.14 -0.32 115.31 115.99 2nxy h LEU 2127Ca 0.12 0.01 -0.08 0.00 0.08 0.00 0.00 57.88 58.02 2nxy h LEU 2127Cb 0.72 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.30 2nxy h LEU 2127CO 0.06 0.49 -0.37 0.50 -1.08 0.00 0.00 178.44 178.03 2nxy h LYS 2128N 0.89 0.00 0.00 1.13 1.63 -0.95 -2.38 116.57 116.89 2nxy h LYS 2128Ca 0.39 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.19 2nxy h LYS 2128Cb 0.34 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 2nxy h LYS 2128CO -0.15 0.37 0.00 -1.13 -3.45 0.00 0.00 179.45 175.09 2nxy n SER 2129N -3.81 0.16 0.00 4.20 3.41 -0.17 -4.91 113.62 112.50 2nxy n SER 2129Ca -0.01 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 2nxy n SER 2129Cb 0.44 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 2nxy n SER 2129CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2nxy n GLY 2130N 0.91 1.01 3.09 5.00 0.00 -0.89 -5.09 105.19 109.21 2nxy n GLY 2130Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.00 2nxy n GLY 2130CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2nxy s THR 2131N -2.00 0.25 -0.18 2.61 -4.23 -1.14 -1.94 115.64 109.00 2nxy s THR 2131Ca 0.00 -1.73 -0.01 0.00 -1.18 0.00 0.00 61.69 58.77 2nxy s THR 2131Cb 0.00 -1.41 0.05 0.00 1.34 0.00 0.00 72.50 72.47 2nxy s THR 2131CO 0.00 -0.94 -0.04 0.00 -0.54 0.00 0.00 174.62 173.10 2nxy s ALA 2132N -3.66 1.53 -0.23 3.99 0.00 0.17 -3.36 121.76 120.21 2nxy s ALA 2132Ca 0.05 -0.93 -0.08 0.00 0.00 0.00 0.00 51.96 51.00 2nxy s ALA 2132Cb 0.06 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.95 2nxy s ALA 2132CO -0.09 -0.92 0.08 -1.12 0.00 0.00 0.00 175.76 173.71 2nxy s SER 2133N 1.61 5.38 -0.17 0.00 0.01 -1.26 -1.63 113.70 117.64 2nxy s SER 2133Ca -0.01 -0.09 -0.04 0.00 1.31 0.00 0.00 55.95 57.12 2nxy s SER 2133Cb -0.16 -1.95 -0.02 0.00 0.21 0.00 0.00 66.02 64.09 2nxy s SER 2133CO -0.07 0.04 -0.03 -0.69 0.41 0.00 0.00 173.24 172.89 2nxy s VAL 2134N 1.20 3.83 -0.15 3.43 1.01 0.60 -3.16 120.40 127.16 2nxy s VAL 2134Ca 0.05 -0.37 -0.00 0.00 0.00 0.00 0.00 61.98 61.66 2nxy s VAL 2134Cb -0.14 -2.70 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 2nxy s VAL 2134CO 0.04 0.47 -0.13 -0.69 0.00 0.00 0.00 175.10 174.79 2nxy s VAL 2135N 0.64 2.92 -0.20 2.92 1.01 -0.81 0.00 120.40 126.88 2nxy s VAL 2135Ca -0.02 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 2nxy s VAL 2135Cb -0.14 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 2nxy s VAL 2135CO 0.02 0.51 0.02 0.00 0.00 0.00 0.00 175.10 175.65 2nxy s LEU 2137N 0.86 3.03 -0.33 0.00 2.96 0.94 -0.75 118.68 125.40 2nxy s LEU 2137Ca 0.02 -0.26 -0.07 0.00 -0.22 0.00 0.00 54.13 53.59 2nxy s LEU 2137Cb -0.14 -1.74 0.03 0.00 0.50 0.00 0.00 46.19 44.84 2nxy s LEU 2137CO 0.02 0.10 0.12 -0.76 -1.32 0.00 0.00 176.35 174.51 2nxy s LEU 2138N 0.79 4.28 -0.15 -0.68 1.02 0.68 -0.82 118.68 123.80 2nxy s LEU 2138Ca -0.02 -1.00 -0.04 0.00 0.02 0.00 0.00 54.13 53.09 2nxy s LEU 2138Cb -0.15 -1.90 -0.03 0.00 0.02 0.00 0.00 46.19 44.13 2nxy s LEU 2138CO 0.02 -0.30 -0.02 0.21 0.02 0.00 0.00 176.35 176.27 2nxy s ASN 2139N 1.46 4.96 -0.97 2.29 2.47 0.58 -0.71 114.94 125.01 2nxy s ASN 2139Ca 0.00 -0.07 -0.08 0.00 0.42 0.00 0.00 52.86 53.13 2nxy s ASN 2139Cb -0.19 -1.77 -0.03 0.00 -1.45 0.00 0.00 41.25 37.81 2nxy s ASN 2139CO 0.04 0.19 0.82 0.59 -3.72 0.00 0.00 177.10 175.01 2nxy n ASN 2140N 3.39 -6.57 -4.51 -4.21 3.02 -0.97 -1.61 115.26 103.80 2nxy n ASN 2140Ca -0.17 -0.62 -0.25 0.00 -0.03 0.00 0.00 54.58 53.50 2nxy n ASN 2140Cb 0.52 -4.62 -0.10 0.00 -0.61 0.00 0.00 39.78 34.97 2nxy n ASN 2140CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2nxy s PHE 2141N -3.28 2.34 -0.17 3.10 -0.71 0.24 -4.60 117.98 114.91 2nxy s PHE 2141Ca 0.32 -0.42 -0.14 0.00 -1.04 0.00 0.00 56.93 55.65 2nxy s PHE 2141Cb -0.07 -1.19 0.05 0.00 -1.21 0.00 0.00 43.02 40.60 2nxy s PHE 2141CO 0.78 0.65 0.44 -0.47 -1.34 0.00 0.00 175.22 175.28 2nxy s TYR 2142N -2.56 -0.54 0.98 3.49 6.14 -0.14 -0.76 117.35 123.95 2nxy s TYR 2142Ca 0.31 1.25 -0.17 0.00 0.64 0.00 0.00 57.07 59.11 2nxy s TYR 2142Cb -0.01 0.21 0.23 0.00 0.42 0.00 0.00 41.96 42.81 2nxy s TYR 2142CO 0.16 -0.27 1.26 -0.35 0.64 0.00 0.00 175.55 176.98 2nxy n PRO 2143N 3.27 -1.50 0.16 4.97 -0.04 -1.26 -0.50 135.00 140.09 2nxy n PRO 2143Ca -0.16 -1.95 0.04 0.00 -0.04 0.00 0.00 63.50 61.38 2nxy n PRO 2143Cb 0.57 -1.36 0.44 0.00 -0.04 0.00 0.00 33.50 33.10 2nxy n PRO 2143CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2nxy h ARG 2144N 0.00 0.15 -6.41 0.54 2.43 -1.98 -3.43 114.38 105.68 2nxy h ARG 2144Ca -0.41 -0.03 -0.53 0.00 -0.81 0.00 0.00 59.98 58.19 2nxy h ARG 2144Cb 1.16 -0.02 0.02 0.00 -0.42 0.00 0.00 29.97 30.70 2nxy h ARG 2144CO 0.29 0.29 1.11 -1.21 -1.51 0.00 0.00 179.97 178.95 2nxy s GLU 2145N -4.73 4.16 -0.10 0.20 8.01 -1.26 -4.99 118.70 119.99 2nxy s GLU 2145Ca -0.05 2.47 -0.20 0.00 0.01 0.00 0.00 54.97 57.20 2nxy s GLU 2145Cb 0.16 -3.83 0.05 0.00 -4.31 0.00 0.00 34.13 26.19 2nxy s GLU 2145CO 0.72 -0.85 0.49 0.00 0.01 0.00 0.00 175.26 175.63 2nxy s ALA 2146N 3.44 -1.23 -0.13 5.21 0.00 -1.26 -4.64 121.76 123.15 2nxy s ALA 2146Ca 0.80 1.07 -0.00 0.00 0.00 0.00 0.00 51.96 53.82 2nxy s ALA 2146Cb -0.41 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 2nxy s ALA 2146CO 0.36 -0.28 -0.13 0.21 0.00 0.00 0.00 175.76 175.93 2nxy s LYS 2147N -0.55 3.39 -0.11 0.00 2.20 0.11 -4.98 119.74 119.79 2nxy s LYS 2147Ca -0.07 -0.68 0.02 0.00 -0.36 0.00 0.00 55.97 54.88 2nxy s LYS 2147Cb -0.03 -2.65 0.01 0.00 -1.51 0.00 0.00 37.83 33.65 2nxy s LYS 2147CO 0.04 0.20 -0.16 0.08 -0.36 0.00 0.00 175.35 175.15 2nxy s VAL 2148N 0.40 1.53 -0.02 4.02 1.01 -1.26 -0.27 120.40 125.82 2nxy s VAL 2148Ca -0.10 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.29 2nxy s VAL 2148Cb -0.16 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 2nxy s VAL 2148CO 0.05 0.45 -0.24 -1.10 0.00 0.00 0.00 175.10 174.26 2nxy s GLN 2149N 1.00 1.97 -0.19 2.72 -0.21 -0.25 -4.96 119.66 119.74 2nxy s GLN 2149Ca -0.06 -0.87 -0.09 0.00 0.02 0.00 0.00 55.36 54.36 2nxy s GLN 2149Cb -0.15 -1.91 -0.05 0.00 1.00 0.00 0.00 33.01 31.91 2nxy s GLN 2149CO -0.02 0.52 0.13 -1.58 -2.12 0.00 0.00 175.29 172.22 2nxy s TRP 2150N -0.57 3.42 -0.09 0.91 0.52 -1.26 -0.13 118.94 121.74 2nxy s TRP 2150Ca 0.09 0.34 0.03 0.00 0.02 0.00 0.00 56.10 56.58 2nxy s TRP 2150Cb -0.09 -2.12 0.01 0.00 -1.15 0.00 0.00 33.47 30.11 2nxy s TRP 2150CO -0.01 0.34 -0.18 0.15 0.02 0.00 0.00 176.95 177.27 2nxy s LYS 2151N 0.17 2.45 -0.31 4.98 1.02 -0.04 -0.35 119.74 127.66 2nxy s LYS 2151Ca 0.09 -0.67 0.02 0.00 0.02 0.00 0.00 55.97 55.44 2nxy s LYS 2151Cb -0.11 -1.94 0.08 0.00 -0.52 0.00 0.00 37.83 35.34 2nxy s LYS 2151CO -0.01 0.07 -0.01 0.08 -0.92 0.00 0.00 175.35 174.57 2nxy s VAL 2152N 0.60 2.40 -1.05 3.17 1.01 -0.24 -1.47 120.40 124.81 2nxy s VAL 2152Ca -0.15 -1.94 -0.06 0.00 0.00 0.00 0.00 61.98 59.84 2nxy s VAL 2152Cb -0.17 -2.58 0.01 0.00 0.00 0.00 0.00 36.38 33.65 2nxy s VAL 2152CO 0.05 -0.33 0.79 0.47 0.00 0.00 0.00 175.10 176.08 2nxy n ASP 2153N 4.39 -5.23 0.00 3.32 8.00 -0.71 -2.36 116.55 123.96 2nxy n ASP 2153Ca -0.06 -0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.08 2nxy n ASP 2153Cb 0.42 -3.88 0.00 0.00 -0.02 0.00 0.00 41.12 37.64 2nxy n ASP 2153CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2nxy n ASN 2154N -1.78 0.00 -4.63 -2.24 5.15 -1.26 -4.99 115.26 105.52 2nxy n ASN 2154Ca -0.01 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.55 2nxy n ASN 2154Cb 0.56 -0.23 -0.05 0.00 -0.53 0.00 0.00 39.78 39.52 2nxy n ASN 2154CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2nxy s ALA 2155N -3.24 3.60 0.06 5.20 0.00 -0.99 -5.01 121.76 121.38 2nxy s ALA 2155Ca 0.00 -0.35 -0.31 0.00 0.00 0.00 0.00 51.96 51.30 2nxy s ALA 2155Cb 0.00 -3.19 -0.07 0.00 0.00 0.00 0.00 23.12 19.86 2nxy s ALA 2155CO 0.00 -0.97 1.51 -1.17 0.00 0.00 0.00 175.76 175.13 2nxy s LEU 2156N 2.74 4.35 0.06 0.00 1.98 -1.26 -1.08 118.68 125.46 2nxy s LEU 2156Ca 0.30 2.33 -0.10 0.00 -2.89 0.00 0.00 54.13 53.78 2nxy s LEU 2156Cb -0.15 -3.57 -0.06 0.00 0.66 0.00 0.00 46.19 43.08 2nxy s LEU 2156CO 0.09 -0.78 0.37 -1.10 -1.89 0.00 0.00 176.35 173.04 2nxy s GLN 2157N 2.20 3.73 -0.11 1.98 -1.52 0.53 -4.96 119.66 121.51 2nxy s GLN 2157Ca 0.68 0.14 -0.10 0.00 -1.95 0.00 0.00 55.36 54.13 2nxy s GLN 2157Cb -0.37 -3.03 0.03 0.00 -0.22 0.00 0.00 33.01 29.42 2nxy s GLN 2157CO 0.30 0.59 0.30 -1.54 -0.25 0.00 0.00 175.29 174.68 2nxy s SER 2158N -1.69 -0.31 0.00 5.90 1.04 -1.26 -4.60 113.70 112.78 2nxy s SER 2158Ca 0.31 0.59 0.00 0.00 0.48 0.00 0.00 55.95 57.33 2nxy s SER 2158Cb -0.14 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.58 2nxy s SER 2158CO 0.17 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.89 2nxy n GLY 2159N 2.88 0.78 0.21 7.32 0.00 -1.26 -4.90 105.19 110.23 2nxy n GLY 2159Ca -0.13 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.96 2nxy n GLY 2159CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2nxy n ASN 2160N 0.00 1.76 -4.19 1.61 0.23 -1.26 -5.05 115.26 108.36 2nxy n ASN 2160Ca 0.00 -2.85 -0.13 0.00 -0.53 0.00 0.00 54.58 51.07 2nxy n ASN 2160Cb 0.00 -0.38 -0.10 0.00 -2.08 0.00 0.00 39.78 37.22 2nxy n ASN 2160CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2nxy s SER 2161N -2.44 1.39 0.00 0.53 1.04 -1.26 -1.91 113.70 111.04 2nxy s SER 2161Ca 0.25 -0.93 0.01 0.00 0.48 0.00 0.00 55.95 55.75 2nxy s SER 2161Cb 0.22 0.04 -0.01 0.00 0.10 0.00 0.00 66.02 66.37 2nxy s SER 2161CO 0.02 -0.36 -0.04 -1.10 0.98 0.00 0.00 173.24 172.74 2nxy s GLN 2162N -3.42 0.28 0.10 4.02 -0.21 -0.81 -4.96 119.66 114.66 2nxy s GLN 2162Ca 0.10 -0.19 0.05 0.00 0.02 0.00 0.00 55.36 55.35 2nxy s GLN 2162Cb 0.02 -0.23 -0.04 0.00 1.00 0.00 0.00 33.01 33.75 2nxy s GLN 2162CO -0.02 0.06 -0.01 -1.21 -2.12 0.00 0.00 175.29 171.99 2nxy s GLU 2163N -0.26 2.49 0.02 2.91 2.02 -1.26 -1.33 118.70 123.28 2nxy s GLU 2163Ca -0.01 -0.87 0.01 0.00 0.02 0.00 0.00 54.97 54.12 2nxy s GLU 2163Cb -0.02 -2.50 -0.02 0.00 0.10 0.00 0.00 34.13 31.69 2nxy s GLU 2163CO -0.00 0.53 -0.05 0.45 0.02 0.00 0.00 175.26 176.21 2nxy s SER 2164N -2.33 0.48 -0.01 -0.19 0.15 -0.54 -5.00 113.70 106.26 2nxy s SER 2164Ca 0.25 -0.38 0.02 0.00 0.70 0.00 0.00 55.95 56.54 2nxy s SER 2164Cb -0.11 0.04 -0.00 0.00 -1.71 0.00 0.00 66.02 64.23 2nxy s SER 2164CO 0.18 -0.17 -0.07 0.54 1.20 0.00 0.00 173.24 174.92 2nxy s VAL 2165N -1.01 0.59 0.76 4.45 0.11 -1.26 -1.31 120.40 122.72 2nxy s VAL 2165Ca -0.09 -0.31 -0.11 0.00 -2.93 0.00 0.00 61.98 58.54 2nxy s VAL 2165Cb -0.07 -0.50 0.05 0.00 -1.53 0.00 0.00 36.38 34.32 2nxy s VAL 2165CO -0.00 0.17 1.09 0.42 -3.33 0.00 0.00 175.10 173.45 2nxy s THR 2166N -0.09 3.33 0.71 5.04 -4.23 -0.76 -5.02 115.64 114.61 2nxy s THR 2166Ca 0.02 0.43 -0.14 0.00 -1.18 0.00 0.00 61.69 60.82 2nxy s THR 2166Cb -0.04 -3.22 0.03 0.00 1.34 0.00 0.00 72.50 70.61 2nxy s THR 2166CO -0.00 -0.56 1.14 -1.61 -0.54 0.00 0.00 174.62 173.04 2nxy s GLU 2167N -5.17 2.43 0.20 3.99 0.41 -1.26 -4.69 118.70 114.62 2nxy s GLU 2167Ca 0.60 1.49 -0.33 0.00 -0.41 0.00 0.00 54.97 56.32 2nxy s GLU 2167Cb -0.14 -1.90 -0.13 0.00 -1.78 0.00 0.00 34.13 30.19 2nxy s GLU 2167CO 0.54 -1.55 1.60 0.94 -0.49 0.00 0.00 175.26 176.30 2nxy n GLN 2168N -2.73 2.39 -1.97 1.61 7.27 -1.26 -4.79 117.38 117.89 2nxy n GLN 2168Ca 0.11 0.86 -0.41 0.00 0.07 0.00 0.00 57.00 57.63 2nxy n GLN 2168Cb 0.52 -2.64 -0.02 0.00 2.41 0.00 0.00 30.24 30.50 2nxy n GLN 2168CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2nxy s ASP 2169N 0.86 6.60 0.18 1.69 -1.08 0.83 -4.90 116.67 120.86 2nxy s ASP 2169Ca 0.75 2.71 0.24 0.00 -0.52 0.00 0.00 52.55 55.73 2nxy s ASP 2169Cb -0.60 -2.62 0.91 0.00 -1.46 0.00 0.00 42.92 39.14 2nxy s ASP 2169CO 0.39 -0.74 1.74 -1.54 0.52 0.00 0.00 175.17 175.54 2nxy n SER 2170N 2.38 0.57 -0.13 -0.34 3.41 -1.26 -1.57 113.62 116.69 2nxy n SER 2170Ca 0.07 0.59 -0.25 0.00 -0.26 0.00 0.00 58.87 59.02 2nxy n SER 2170Cb 0.40 -0.73 -0.10 0.00 -0.26 0.00 0.00 64.21 63.52 2nxy n SER 2170CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2nxy n LYS 2171N -2.08 0.56 -0.01 4.33 4.76 -1.26 -4.76 118.16 119.70 2nxy n LYS 2171Ca 0.04 0.22 0.02 0.00 -2.87 0.00 0.00 58.31 55.72 2nxy n LYS 2171Cb 0.32 -1.43 0.02 0.00 -1.84 0.00 0.00 35.03 32.10 2nxy n LYS 2171CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2nxy n ASP 2172N -3.94 1.51 -0.97 4.39 5.68 -1.25 -5.01 116.55 116.97 2nxy n ASP 2172Ca -0.49 -1.33 -0.13 0.00 -0.50 0.00 0.00 54.79 52.34 2nxy n ASP 2172Cb 0.88 -0.02 -0.05 0.00 -1.14 0.00 0.00 41.12 40.79 2nxy n ASP 2172CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2nxy n SER 2173N 0.12 -4.79 -4.98 -1.12 7.64 -0.61 -4.97 113.62 104.90 2nxy n SER 2173Ca 0.02 0.31 -0.20 0.00 1.01 0.00 0.00 58.87 60.02 2nxy n SER 2173Cb 0.14 -3.41 0.02 0.00 -1.01 0.00 0.00 64.21 59.95 2nxy n SER 2173CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2nxy s THR 2174N -2.38 3.00 0.26 0.44 -4.23 -1.26 -4.61 115.64 106.86 2nxy s THR 2174Ca 0.00 -0.75 0.11 0.00 -1.18 0.00 0.00 61.69 59.87 2nxy s THR 2174Cb 0.00 -3.09 -0.05 0.00 1.34 0.00 0.00 72.50 70.71 2nxy s THR 2174CO 0.00 -0.05 -0.11 -0.31 -0.54 0.00 0.00 174.62 173.61 2nxy s TYR 2175N -2.60 2.50 0.12 3.99 2.02 0.06 -0.12 117.35 123.32 2nxy s TYR 2175Ca 0.55 -0.27 0.05 0.00 -0.37 0.00 0.00 57.07 57.02 2nxy s TYR 2175Cb -0.10 -1.11 -0.04 0.00 -0.40 0.00 0.00 41.96 40.31 2nxy s TYR 2175CO 0.36 0.65 -0.12 -1.12 -1.57 0.00 0.00 175.55 173.75 2nxy s SER 2176N -3.50 1.84 -0.04 2.29 0.01 -1.26 -0.59 113.70 112.44 2nxy s SER 2176Ca 0.30 -0.85 -0.04 0.00 1.31 0.00 0.00 55.95 56.66 2nxy s SER 2176Cb -0.06 -0.04 0.01 0.00 0.21 0.00 0.00 66.02 66.14 2nxy s SER 2176CO 0.17 -0.21 0.12 -0.22 0.41 0.00 0.00 173.24 173.50 2nxy s LEU 2177N -2.61 1.57 -0.01 2.44 0.20 0.12 -1.83 118.68 118.56 2nxy s LEU 2177Ca 0.10 0.18 0.06 0.00 0.69 0.00 0.00 54.13 55.16 2nxy s LEU 2177Cb -0.03 0.42 -0.03 0.00 -0.43 0.00 0.00 46.19 46.12 2nxy s LEU 2177CO 0.02 -0.07 -0.20 -0.94 -0.29 0.00 0.00 176.35 174.87 2nxy s SER 2178N -0.10 3.62 -0.11 3.68 1.04 -0.43 -0.23 113.70 121.18 2nxy s SER 2178Ca -0.02 -0.37 0.02 0.00 0.48 0.00 0.00 55.95 56.06 2nxy s SER 2178Cb -0.02 -0.59 0.02 0.00 0.10 0.00 0.00 66.02 65.53 2nxy s SER 2178CO 0.00 0.30 -0.15 -0.55 0.98 0.00 0.00 173.24 173.83 2nxy s SER 2179N -0.96 2.44 -0.20 7.02 0.15 0.07 -1.47 113.70 120.75 2nxy s SER 2179Ca 0.12 -0.43 -0.01 0.00 0.70 0.00 0.00 55.95 56.33 2nxy s SER 2179Cb -0.10 -1.09 0.00 0.00 -1.71 0.00 0.00 66.02 63.12 2nxy s SER 2179CO 0.02 0.01 -0.12 -0.89 1.20 0.00 0.00 173.24 173.46 2nxy s THR 2180N 1.01 2.76 -0.20 6.45 2.01 -0.44 -0.03 115.64 127.20 2nxy s THR 2180Ca -0.06 -0.70 -0.14 0.00 0.31 0.00 0.00 61.69 61.10 2nxy s THR 2180Cb -0.15 -2.22 -0.04 0.00 0.01 0.00 0.00 72.50 70.10 2nxy s THR 2180CO -0.02 0.48 0.29 -0.22 -0.69 0.00 0.00 174.62 174.46 2nxy s LEU 2181N 1.34 4.17 -0.10 4.42 2.96 0.10 -1.92 118.68 129.66 2nxy s LEU 2181Ca 0.05 0.39 0.04 0.00 -0.22 0.00 0.00 54.13 54.38 2nxy s LEU 2181Cb -0.14 -2.34 0.00 0.00 0.50 0.00 0.00 46.19 44.21 2nxy s LEU 2181CO -0.07 0.03 -0.23 -0.89 -1.32 0.00 0.00 176.35 173.87 2nxy s THR 2182N 0.95 1.96 0.08 3.68 2.01 -0.80 -0.29 115.64 123.23 2nxy s THR 2182Ca 0.15 -0.96 -0.01 0.00 0.31 0.00 0.00 61.69 61.18 2nxy s THR 2182Cb -0.14 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 2nxy s THR 2182CO 0.05 0.54 -0.01 -1.48 -0.69 0.00 0.00 174.62 173.03 2nxy s LEU 2183N 0.42 2.29 0.85 4.42 2.34 -0.64 -4.87 118.68 123.49 2nxy s LEU 2183Ca -0.17 -1.06 -0.10 0.00 0.06 0.00 0.00 54.13 52.85 2nxy s LEU 2183Cb -0.18 0.19 0.10 0.00 -0.56 0.00 0.00 46.19 45.75 2nxy s LEU 2183CO 0.07 -0.62 1.12 -0.94 -1.06 0.00 0.00 176.35 174.92 2nxy s SER 2184N -2.98 3.68 0.35 1.48 1.04 -1.26 -0.65 113.70 115.35 2nxy s SER 2184Ca 0.13 1.98 0.02 0.00 0.48 0.00 0.00 55.95 58.56 2nxy s SER 2184Cb 0.08 -2.53 0.62 0.00 0.10 0.00 0.00 66.02 64.29 2nxy s SER 2184CO -0.06 -2.59 2.00 0.50 0.98 0.00 0.00 173.24 174.08 2nxy h LYS 2185N -1.51 0.84 -0.61 4.02 3.64 -1.68 -1.15 116.57 120.11 2nxy h LYS 2185Ca -0.44 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 58.83 2nxy h LYS 2185Cb 1.25 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.86 2nxy h LYS 2185CO 0.47 0.56 0.16 0.00 -2.27 0.00 0.00 179.45 178.37 2nxy h ALA 2186N 1.59 0.80 -0.20 5.00 0.00 -1.91 -1.70 119.26 122.84 2nxy h ALA 2186Ca 0.23 -0.22 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 2nxy h ALA 2186Cb -0.08 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.48 2nxy h ALA 2186CO -0.05 0.50 -0.63 -0.44 0.00 0.00 0.00 179.25 178.63 2nxy h ASP 2187N 0.88 0.91 -0.85 0.00 3.32 -1.85 -3.14 116.42 115.68 2nxy h ASP 2187Ca 0.19 -0.59 0.08 0.00 0.02 0.00 0.00 57.03 56.73 2nxy h ASP 2187Cb 0.34 -0.27 -0.07 0.00 0.22 0.00 0.00 39.33 39.56 2nxy h ASP 2187CO 0.00 1.34 0.52 0.22 -1.72 0.00 0.00 179.24 179.60 2nxy h TYR 2188N 0.53 0.95 -0.09 4.55 3.20 -1.08 -1.21 116.97 123.82 2nxy h TYR 2188Ca -0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2nxy h TYR 2188Cb 1.26 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.22 2nxy h TYR 2188CO 0.08 0.45 0.00 0.39 -1.64 0.00 0.00 178.16 177.44 2nxy n GLU 2189N -4.66 1.30 0.00 1.82 1.02 -0.65 -3.03 120.64 116.44 2nxy n GLU 2189Ca 0.13 -0.45 0.12 0.00 -0.02 0.00 0.00 57.16 56.94 2nxy n GLU 2189Cb 0.22 -1.24 0.18 0.00 -0.02 0.00 0.00 31.44 30.58 2nxy n GLU 2189CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2nxy n LYS 2190N -0.25 1.44 -4.23 3.49 4.81 -0.46 -4.96 118.16 118.01 2nxy n LYS 2190Ca 0.11 -1.09 -0.13 0.00 -0.87 0.00 0.00 58.31 56.32 2nxy n LYS 2190Cb 0.15 -1.48 -0.10 0.00 0.02 0.00 0.00 35.03 33.62 2nxy n LYS 2190CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 2nxy s HIS 2191N -2.31 1.21 -0.00 5.64 3.76 -1.17 -5.10 115.29 117.31 2nxy s HIS 2191Ca 0.25 -1.23 -0.00 0.00 -0.15 0.00 0.00 55.06 53.93 2nxy s HIS 2191Cb 0.19 -0.66 -0.00 0.00 1.11 0.00 0.00 32.58 33.22 2nxy s HIS 2191CO 0.47 -0.45 -0.00 1.17 -0.85 0.00 0.00 174.74 175.07 2nxy n LYS 2192N -0.28 0.01 -3.32 1.40 4.81 -1.26 -4.81 118.16 114.71 2nxy n LYS 2192Ca -0.02 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.04 2nxy n LYS 2192Cb 0.65 -0.24 -0.06 0.00 0.02 0.00 0.00 35.03 35.40 2nxy n LYS 2192CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2nxy s VAL 2193N -1.04 5.18 -0.21 3.15 0.11 -1.26 -1.03 120.40 125.29 2nxy s VAL 2193Ca -0.00 0.90 -0.02 0.00 -2.93 0.00 0.00 61.98 59.93 2nxy s VAL 2193Cb 0.00 -3.80 0.00 0.00 -1.53 0.00 0.00 36.38 31.05 2nxy s VAL 2193CO 0.01 0.29 -0.10 -0.31 -3.33 0.00 0.00 175.10 171.65 2nxy s TYR 2194N 0.93 2.90 -0.02 1.54 2.02 -0.55 -1.74 117.35 122.43 2nxy s TYR 2194Ca 0.24 -1.21 0.02 0.00 -0.37 0.00 0.00 57.07 55.75 2nxy s TYR 2194Cb -0.15 -2.04 0.00 0.00 -0.40 0.00 0.00 41.96 39.37 2nxy s TYR 2194CO 0.09 -0.65 -0.08 0.00 -1.57 0.00 0.00 175.55 173.35 2nxy s ALA 2195N 1.41 0.73 -0.13 3.71 0.00 -0.54 -1.86 121.76 125.07 2nxy s ALA 2195Ca 0.05 -0.30 -0.02 0.00 0.00 0.00 0.00 51.96 51.69 2nxy s ALA 2195Cb -0.14 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 2nxy s ALA 2195CO -0.07 0.13 -0.06 0.00 0.00 0.00 0.00 175.76 175.76 2nxy s GLU 2197N 0.13 3.52 -0.16 0.00 2.12 0.81 -2.05 118.70 123.07 2nxy s GLU 2197Ca -0.02 -0.58 -0.03 0.00 0.36 0.00 0.00 54.97 54.70 2nxy s GLU 2197Cb -0.14 -2.97 -0.02 0.00 0.26 0.00 0.00 34.13 31.27 2nxy s GLU 2197CO 0.03 0.02 -0.07 0.08 -0.54 0.00 0.00 175.26 174.78 2nxy s VAL 2198N 0.95 3.50 -0.09 3.70 1.01 0.11 -1.09 120.40 128.47 2nxy s VAL 2198Ca 0.00 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.51 2nxy s VAL 2198Cb -0.15 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 2nxy s VAL 2198CO 0.01 0.48 -0.16 -0.89 0.00 0.00 0.00 175.10 174.55 2nxy s THR 2199N 0.65 2.88 -0.06 3.92 2.01 0.63 -0.75 115.64 124.92 2nxy s THR 2199Ca -0.04 -0.75 -0.30 0.00 0.31 0.00 0.00 61.69 60.91 2nxy s THR 2199Cb -0.15 -2.16 0.08 0.00 0.01 0.00 0.00 72.50 70.28 2nxy s THR 2199CO 0.02 0.55 0.73 -2.28 -0.69 0.00 0.00 174.62 172.95 2nxy s HIS 2200N -0.05 -0.61 0.53 4.92 2.46 -1.26 -0.71 115.29 120.57 2nxy s HIS 2200Ca -0.04 1.01 0.21 0.00 0.47 0.00 0.00 55.06 56.71 2nxy s HIS 2200Cb -0.14 0.42 1.37 0.00 -0.13 0.00 0.00 32.58 34.11 2nxy s HIS 2200CO 0.04 -0.58 2.08 0.37 -2.47 0.00 0.00 174.74 174.18 2nxy h GLN 2201N 2.88 0.00 0.00 2.88 4.15 -1.92 -1.40 115.11 121.69 2nxy h GLN 2201Ca -0.26 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.16 2nxy h GLN 2201Cb 1.15 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.84 2nxy h GLN 2201CO 0.38 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.69 2nxy n GLY 2202N -1.57 -1.35 3.55 2.39 0.00 -1.26 -4.75 105.19 102.21 2nxy n GLY 2202Ca 0.03 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 2nxy n GLY 2202CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nxy s LEU 2203N -3.36 3.49 0.23 0.99 1.43 -0.53 -4.55 118.68 116.38 2nxy s LEU 2203Ca 0.10 -0.05 -0.06 0.00 -1.03 0.00 0.00 54.13 53.10 2nxy s LEU 2203Cb 0.14 -1.86 0.23 0.00 0.03 0.00 0.00 46.19 44.72 2nxy s LEU 2203CO 0.44 0.16 1.79 0.28 0.23 0.00 0.00 176.35 179.25 2nxy h SER 2204N 6.77 1.02 -4.87 2.29 0.02 -1.85 -3.44 113.55 113.49 2nxy h SER 2204Ca -0.34 -0.17 -0.21 0.00 -0.84 0.00 0.00 61.79 60.24 2nxy h SER 2204Cb 1.18 -0.26 -0.18 0.00 0.14 0.00 0.00 62.40 63.27 2nxy h SER 2204CO 0.66 0.92 -0.71 -0.44 -1.14 0.00 0.00 176.83 176.12 2nxy s SER 2205N -6.43 0.72 0.27 3.07 0.01 -1.26 -5.13 113.70 104.95 2nxy s SER 2205Ca -0.12 -0.75 -0.29 0.00 1.31 0.00 0.00 55.95 56.10 2nxy s SER 2205Cb 0.16 0.10 -0.14 0.00 0.21 0.00 0.00 66.02 66.34 2nxy s SER 2205CO 0.83 -0.38 1.04 -2.65 0.41 0.00 0.00 173.24 172.49 2nxy n PRO 2206N 0.81 1.31 -3.71 12.44 -0.02 -1.26 -4.95 135.00 139.61 2nxy n PRO 2206Ca -0.18 0.46 -0.35 0.00 -2.02 0.00 0.00 63.50 61.40 2nxy n PRO 2206Cb 0.58 -1.85 -0.08 0.00 -0.02 0.00 0.00 33.50 32.12 2nxy n PRO 2206CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2nxy s VAL 2207N -0.87 5.40 -0.14 -1.45 1.01 0.07 -4.89 120.40 119.53 2nxy s VAL 2207Ca 0.61 0.19 -0.00 0.00 0.00 0.00 0.00 61.98 62.79 2nxy s VAL 2207Cb -0.73 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 2nxy s VAL 2207CO 0.58 0.42 -0.14 -0.89 0.00 0.00 0.00 175.10 175.07 2nxy s THR 2208N 0.52 2.95 -0.04 3.92 2.01 -1.26 0.08 115.64 123.82 2nxy s THR 2208Ca 0.08 -0.69 0.07 0.00 0.31 0.00 0.00 61.69 61.46 2nxy s THR 2208Cb -0.12 -2.24 -0.02 0.00 0.01 0.00 0.00 72.50 70.13 2nxy s THR 2208CO -0.00 0.52 -0.24 -0.54 -0.69 0.00 0.00 174.62 173.66 2nxy s LYS 2209N 0.48 2.29 0.20 4.92 -0.14 -0.87 -5.00 119.74 121.62 2nxy s LYS 2209Ca -0.10 -0.90 -0.12 0.00 -1.36 0.00 0.00 55.97 53.49 2nxy s LYS 2209Cb -0.16 -2.12 0.00 0.00 -1.68 0.00 0.00 37.83 33.88 2nxy s LYS 2209CO 0.04 0.51 0.41 -1.54 -0.76 0.00 0.00 175.35 174.01 2nxy s SER 2210N -0.48 -0.08 0.02 2.83 1.04 -1.26 -1.42 113.70 114.35 2nxy s SER 2210Ca 0.06 -0.80 -0.08 0.00 0.48 0.00 0.00 55.95 55.61 2nxy s SER 2210Cb -0.11 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2nxy s SER 2210CO 0.01 -1.01 0.17 0.72 0.98 0.00 0.00 173.24 174.10 2nxy s PHE 2211N -3.96 0.06 -0.27 5.02 -0.71 -0.78 -5.00 117.98 112.35 2nxy s PHE 2211Ca 0.17 -0.23 -0.15 0.00 -1.04 0.00 0.00 56.93 55.68 2nxy s PHE 2211Cb 0.01 -0.05 -0.04 0.00 -1.21 0.00 0.00 43.02 41.73 2nxy s PHE 2211CO 0.02 -0.37 0.37 -0.80 -1.34 0.00 0.00 175.22 173.10 2nxy s ASN 2212N -1.81 6.26 0.08 1.98 0.01 -1.26 -1.49 114.94 118.70 2nxy s ASN 2212Ca -0.09 0.29 -0.35 0.00 -0.71 0.00 0.00 52.86 52.01 2nxy s ASN 2212Cb -0.04 -2.21 -0.14 0.00 0.41 0.00 0.00 41.25 39.28 2nxy s ASN 2212CO -0.02 -0.17 1.62 -1.14 -1.51 0.00 0.00 177.10 175.88 2nxy n ARG 2213N 5.26 1.97 -0.69 -0.60 0.00 -0.20 -5.01 116.66 117.40 2nxy n ARG 2213Ca -0.09 0.72 0.00 0.00 -0.00 0.00 0.00 57.85 58.48 2nxy n ARG 2213Cb 0.51 -2.48 0.00 0.00 0.00 0.00 0.00 32.46 30.49 2nxy n ARG 2213CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04