#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qpq s LEU 2003N 0.00 3.70 0.66 0.99 1.43 -1.26 -5.06 118.68 119.14 1qpq s LEU 2003Ca 0.00 1.79 0.04 0.00 -1.03 0.00 0.00 54.13 54.93 1qpq s LEU 2003Cb 0.00 -4.54 0.12 0.00 0.03 0.00 0.00 46.19 41.80 1qpq s LEU 2003CO 0.00 -0.81 0.91 -0.94 0.23 0.00 0.00 176.35 175.74 1qpq s SER 2004N -2.50 4.64 0.25 2.29 1.04 -1.26 -4.81 113.70 113.35 1qpq s SER 2004Ca 0.64 -0.64 -0.05 0.00 0.48 0.00 0.00 55.95 56.38 1qpq s SER 2004Cb -0.14 0.22 0.37 0.00 0.10 0.00 0.00 66.02 66.57 1qpq s SER 2004CO 0.27 -1.67 1.84 0.44 0.98 0.00 0.00 173.24 175.11 1qpq h ASP 2005N -0.23 0.83 -0.18 7.02 3.32 -1.98 0.51 116.42 125.70 1qpq h ASP 2005Ca -0.32 0.02 -0.22 0.00 0.02 0.00 0.00 57.03 56.53 1qpq h ASP 2005Cb 1.28 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 40.69 1qpq h ASP 2005CO 0.39 0.51 -0.72 -0.25 -1.72 0.00 0.00 179.24 177.45 1qpq h TRP 2006N 0.95 1.09 -0.51 4.55 -0.00 -1.99 -2.41 115.95 117.63 1qpq h TRP 2006Ca 0.39 -0.46 -0.12 0.00 -0.00 0.00 0.00 58.89 58.70 1qpq h TRP 2006Cb 0.23 -0.18 -0.02 0.00 -0.00 0.00 0.00 29.16 29.20 1qpq h TRP 2006CO -0.03 1.29 -0.15 0.93 -0.00 0.00 0.00 178.44 180.48 1qpq h GLU 2007N 0.58 1.00 -0.14 2.65 5.08 -1.81 -1.35 114.58 120.58 1qpq h GLU 2007Ca -0.04 -0.40 0.01 0.00 -1.00 0.00 0.00 59.36 57.94 1qpq h GLU 2007Cb 1.35 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 1qpq h GLU 2007CO 0.15 1.08 0.05 1.25 -1.00 0.00 0.00 179.01 180.54 1qpq h LEU 2008N 0.87 0.07 -0.96 1.33 5.85 0.01 0.41 115.31 122.88 1qpq h LEU 2008Ca 0.13 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.77 1qpq h LEU 2008Cb 0.72 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 1qpq h LEU 2008CO 0.06 0.06 -0.18 0.00 -0.34 0.00 0.00 178.44 178.03 1qpq h ALA 2009N 1.08 1.13 -0.31 1.25 0.00 -1.37 0.34 119.26 121.38 1qpq h ALA 2009Ca 0.06 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 1qpq h ALA 2009Cb 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1qpq h ALA 2009CO -0.05 0.54 0.01 0.00 0.00 0.00 0.00 179.25 179.75 1qpq h ALA 2010N 1.32 0.41 0.08 0.00 0.00 -0.57 -1.61 119.26 118.89 1qpq h ALA 2010Ca 0.08 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1qpq h ALA 2010Cb 0.59 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1qpq h ALA 2010CO 0.04 0.15 -0.20 0.00 0.00 0.00 0.00 179.25 179.24 1qpq h ALA 2011N 0.85 -0.31 -0.94 0.00 0.00 0.40 -0.96 119.26 118.31 1qpq h ALA 2011Ca 0.09 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1qpq h ALA 2011Cb 0.41 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 1qpq h ALA 2011CO 0.01 -0.72 0.61 0.00 0.00 0.00 0.00 179.25 179.15 1qpq h ARG 2012N -0.36 1.13 -0.40 0.00 3.08 -0.86 -0.57 114.38 116.39 1qpq h ARG 2012Ca 0.04 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1qpq h ARG 2012Cb 0.40 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1qpq h ARG 2012CO -0.13 0.75 0.17 0.00 -1.07 0.00 0.00 179.97 179.69 1qpq h ALA 2013N 1.39 0.52 -0.36 0.04 0.00 -0.90 -1.66 119.26 118.30 1qpq h ALA 2013Ca 0.38 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 1qpq h ALA 2013Cb 0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1qpq h ALA 2013CO -0.13 0.10 0.05 0.00 0.00 0.00 0.00 179.25 179.27 1qpq h ALA 2014N 1.02 0.48 -0.17 0.00 0.00 -0.64 -2.07 119.26 117.88 1qpq h ALA 2014Ca 0.14 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1qpq h ALA 2014Cb 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1qpq h ALA 2014CO -0.01 0.19 -0.06 -0.84 0.00 0.00 0.00 179.25 178.53 1qpq h ILE 2015N 0.44 1.15 -0.40 0.00 -0.00 -1.01 0.53 117.51 118.23 1qpq h ILE 2015Ca 0.11 -0.63 -0.14 0.00 -0.00 0.00 0.00 64.86 64.20 1qpq h ILE 2015Cb 0.38 1.09 -0.01 0.00 -0.00 0.00 0.00 36.82 38.28 1qpq h ILE 2015CO 0.01 0.20 -0.29 0.00 -0.00 0.00 0.00 178.15 178.07 1qpq h ALA 2016N 1.69 0.73 -0.28 0.16 0.00 -1.05 -1.22 119.26 119.28 1qpq h ALA 2016Ca 0.06 -0.41 -0.18 0.00 0.00 0.00 0.00 54.91 54.37 1qpq h ALA 2016Cb 0.28 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1qpq h ALA 2016CO 0.01 0.66 -0.55 0.00 0.00 0.00 0.00 179.25 179.38 1qpq h ARG 2017N 0.73 0.84 -0.03 0.00 3.08 -0.78 -2.28 114.38 115.95 1qpq h ARG 2017Ca 0.08 -0.53 0.01 0.00 0.07 0.00 0.00 59.98 59.61 1qpq h ARG 2017Cb 0.85 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 1qpq h ARG 2017CO 0.07 1.17 -0.01 0.78 -1.07 0.00 0.00 179.97 180.91 1qpq h GLY 2018N 0.74 0.02 1.36 0.04 0.00 -0.54 -2.06 103.07 102.62 1qpq h GLY 2018Ca 0.01 0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.30 1qpq h GLY 2018CO 0.12 -0.01 0.10 1.41 0.00 0.00 0.00 176.54 178.16 1qpq h LEU 2019N -0.01 0.75 -1.06 3.11 3.38 -1.27 -2.37 115.31 117.85 1qpq h LEU 2019Ca 0.01 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 1qpq h LEU 2019Cb 0.03 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1qpq h LEU 2019CO -0.03 0.75 -0.13 -0.78 0.09 0.00 0.00 178.44 178.34 1qpq h ASP 2020N 0.77 0.50 -0.32 -0.43 3.58 -1.19 0.47 116.42 119.80 1qpq h ASP 2020Ca 0.17 -0.13 -0.06 0.00 0.42 0.00 0.00 57.03 57.42 1qpq h ASP 2020Cb 0.32 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.21 1qpq h ASP 2020CO 0.00 0.66 -0.00 -0.33 -2.88 0.00 0.00 179.24 176.69 1qpq h GLU 2021N 0.48 0.68 -0.08 0.28 5.08 -0.86 -0.19 114.58 119.95 1qpq h GLU 2021Ca 0.09 -0.17 -0.16 0.00 -1.00 0.00 0.00 59.36 58.12 1qpq h GLU 2021Cb 0.51 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.68 1qpq h GLU 2021CO 0.03 0.69 -0.57 -0.44 -1.00 0.00 0.00 179.01 177.72 1qpq h ASP 2022N 0.64 0.65 0.28 1.42 3.32 -1.08 -3.35 116.42 118.30 1qpq h ASP 2022Ca 0.13 -0.67 0.00 0.00 0.02 0.00 0.00 57.03 56.51 1qpq h ASP 2022Cb 0.40 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1qpq h ASP 2022CO 0.02 1.22 -0.27 0.18 -1.72 0.00 0.00 179.24 178.66 1qpq n LEU 2023N -4.18 0.93 -0.26 1.55 4.77 0.09 -4.44 117.00 115.45 1qpq n LEU 2023Ca -0.09 -0.21 0.10 0.00 -0.03 0.00 0.00 56.01 55.78 1qpq n LEU 2023Cb 0.64 -0.14 0.36 0.00 -2.33 0.00 0.00 43.42 41.95 1qpq n LEU 2023CO 0.47 0.18 1.22 -0.09 -1.33 0.00 0.00 177.39 177.84 1qpq h ARG 2024N 1.03 0.72 -0.17 3.23 2.43 -1.17 -2.06 114.38 118.39 1qpq h ARG 2024Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1qpq h ARG 2024Cb 0.50 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1qpq h ARG 2024CO 0.00 0.47 0.00 0.66 -1.51 0.00 0.00 179.97 179.59 1qpq n TYR 2025N -4.54 0.21 0.00 2.20 4.02 -1.26 -5.02 117.16 112.77 1qpq n TYR 2025Ca 0.16 -0.11 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 1qpq n TYR 2025Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.73 1qpq n TYR 2025CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1qpq n GLY 2026N 1.18 0.98 3.88 2.72 0.00 -0.77 -5.12 105.19 108.05 1qpq n GLY 2026Ca 0.17 -2.01 -0.29 0.00 0.00 0.00 0.00 46.02 43.89 1qpq n GLY 2026CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qpq s PRO 2027N -1.12 1.30 -1.14 1.61 0.04 -1.26 -4.51 135.00 129.92 1qpq s PRO 2027Ca 0.00 -0.03 -0.22 0.00 0.04 0.00 0.00 61.00 60.79 1qpq s PRO 2027Cb 0.00 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 32.57 1qpq s PRO 2027CO 0.00 -2.03 1.91 -3.47 0.04 0.00 0.00 177.00 173.46 1qpq n ASP 2028N -3.58 3.21 -0.21 6.66 -0.08 -1.26 -4.75 116.55 116.53 1qpq n ASP 2028Ca 0.10 -2.72 0.02 0.00 -1.51 0.00 0.00 54.79 50.68 1qpq n ASP 2028Cb 0.60 -1.65 0.13 0.00 2.34 0.00 0.00 41.12 42.54 1qpq n ASP 2028CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 1qpq h VAL 2029N 5.80 0.68 -0.44 5.18 3.04 -1.99 -1.77 116.25 126.76 1qpq h VAL 2029Ca 0.28 -0.12 -0.04 0.00 -1.01 0.00 0.00 66.70 65.81 1qpq h VAL 2029Cb 0.88 0.30 -0.02 0.00 -2.01 0.00 0.00 31.29 30.45 1qpq h VAL 2029CO 1.37 0.06 0.10 0.00 -1.01 0.00 0.00 177.57 178.09 1qpq h THR 2030N 0.34 1.20 0.00 3.17 1.03 -1.99 -0.72 112.91 115.94 1qpq h THR 2030Ca 0.34 -0.71 -0.08 0.00 -0.01 0.00 0.00 66.41 65.95 1qpq h THR 2030Cb 0.48 0.76 -0.01 0.00 -1.07 0.00 0.00 68.15 68.31 1qpq h THR 2030CO -0.38 0.26 -0.70 0.71 -0.01 0.00 0.00 175.52 175.40 1qpq h THR 2031N 0.63 0.46 -0.28 0.00 1.35 -1.81 -2.58 112.91 110.68 1qpq h THR 2031Ca 0.14 -1.71 -0.13 0.00 -0.55 0.00 0.00 66.41 64.16 1qpq h THR 2031Cb 0.25 2.09 -0.01 0.00 -1.73 0.00 0.00 68.15 68.75 1qpq h THR 2031CO -0.00 0.26 -0.36 -0.07 -0.25 0.00 0.00 175.52 175.10 1qpq h LEU 2032N 0.00 0.67 0.00 3.87 4.07 -1.03 0.26 115.31 123.16 1qpq h LEU 2032Ca -0.04 -0.29 0.00 0.00 0.08 0.00 0.00 57.88 57.63 1qpq h LEU 2032Cb 1.29 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.84 1qpq h LEU 2032CO 0.04 0.97 -0.17 0.00 -1.08 0.00 0.00 178.44 178.20 1qpq h ALA 2033N 1.06 0.90 0.00 1.53 0.00 -1.13 -3.38 119.26 118.25 1qpq h ALA 2033Ca 0.05 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 1qpq h ALA 2033Cb 0.87 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1qpq h ALA 2033CO 0.08 0.00 -1.64 0.25 0.00 0.00 0.00 179.25 177.94 1qpq n THR 2034N -2.68 0.64 -4.74 0.00 -2.24 -0.98 -4.99 114.28 99.30 1qpq n THR 2034Ca 0.04 -0.34 -0.33 0.00 -2.27 0.00 0.00 64.05 61.15 1qpq n THR 2034Cb 0.49 -0.81 -0.14 0.00 -2.10 0.00 0.00 70.33 67.77 1qpq n THR 2034CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1qpq s VAL 2035N -2.22 3.16 0.44 2.28 0.11 0.89 -5.08 120.40 119.97 1qpq s VAL 2035Ca -0.08 -0.63 -0.24 0.00 -2.93 0.00 0.00 61.98 58.10 1qpq s VAL 2035Cb 0.03 -2.33 -0.08 0.00 -1.53 0.00 0.00 36.38 32.48 1qpq s VAL 2035CO 0.34 0.53 1.15 -2.16 -3.33 0.00 0.00 175.10 171.62 1qpq s PRO 2036N 0.27 3.87 0.57 1.54 0.04 -1.26 -4.57 135.00 135.46 1qpq s PRO 2036Ca -0.09 1.75 0.29 0.00 0.04 0.00 0.00 61.00 63.00 1qpq s PRO 2036Cb -0.15 -2.48 1.46 0.00 0.04 0.00 0.00 34.50 33.37 1qpq s PRO 2036CO 0.05 -0.45 1.89 0.00 0.04 0.00 0.00 177.00 178.53 1qpq h ALA 2037N 2.23 2.45 0.00 8.56 0.00 -1.93 0.98 119.26 131.55 1qpq h ALA 2037Ca -0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1qpq h ALA 2037Cb 1.24 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1qpq h ALA 2037CO 0.61 -0.87 -0.15 -1.13 0.00 0.00 0.00 179.25 177.71 1qpq n SER 2038N -3.95 0.43 -4.75 0.00 3.41 -1.26 -4.87 113.62 102.63 1qpq n SER 2038Ca 0.12 0.38 -0.42 0.00 -0.26 0.00 0.00 58.87 58.69 1qpq n SER 2038Cb 0.78 -0.41 -0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1qpq n SER 2038CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qpq n ALA 2039N -1.64 2.01 -2.99 7.33 0.00 0.34 -4.94 120.51 120.62 1qpq n ALA 2039Ca 0.06 0.35 -0.12 0.00 0.00 0.00 0.00 53.44 53.73 1qpq n ALA 2039Cb 0.38 -2.36 -0.13 0.00 0.00 0.00 0.00 19.45 17.34 1qpq n ALA 2039CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1qpq s THR 2040N -1.09 0.02 0.30 0.00 2.01 -1.26 -0.79 115.64 114.83 1qpq s THR 2040Ca 0.54 -0.13 0.02 0.00 0.31 0.00 0.00 61.69 62.43 1qpq s THR 2040Cb -0.51 -0.18 -0.02 0.00 0.01 0.00 0.00 72.50 71.80 1qpq s THR 2040CO 0.63 -0.07 0.31 0.42 -0.69 0.00 0.00 174.62 175.22 1qpq s THR 2041N -0.19 0.00 -0.18 -0.82 -4.23 -0.16 -4.79 115.64 105.27 1qpq s THR 2041Ca -0.03 -1.87 -0.01 0.00 -1.18 0.00 0.00 61.69 58.61 1qpq s THR 2041Cb -0.02 -2.52 -0.00 0.00 1.34 0.00 0.00 72.50 71.29 1qpq s THR 2041CO 0.00 0.00 -0.12 -0.89 -0.54 0.00 0.00 174.62 173.08 1qpq s THR 2042N -3.50 2.90 0.14 3.99 2.01 -1.26 -0.77 115.64 119.15 1qpq s THR 2042Ca 0.37 -0.67 0.08 0.00 0.31 0.00 0.00 61.69 61.77 1qpq s THR 2042Cb 0.02 -2.26 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 1qpq s THR 2042CO 0.22 0.49 -0.17 0.00 -0.69 0.00 0.00 174.62 174.46 1qpq s ALA 2043N 1.06 1.81 -0.01 7.40 0.00 -0.00 -4.60 121.76 127.41 1qpq s ALA 2043Ca -0.00 -1.38 0.04 0.00 0.00 0.00 0.00 51.96 50.62 1qpq s ALA 2043Cb -0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 1qpq s ALA 2043CO -0.03 0.21 -0.14 -1.12 0.00 0.00 0.00 175.76 174.68 1qpq s SER 2044N -2.47 1.67 -0.42 0.00 0.01 0.16 -1.13 113.70 111.52 1qpq s SER 2044Ca 0.12 -0.26 -0.22 0.00 1.31 0.00 0.00 55.95 56.90 1qpq s SER 2044Cb -0.06 -0.18 0.02 0.00 0.21 0.00 0.00 66.02 66.01 1qpq s SER 2044CO 0.05 0.17 0.69 -0.76 0.41 0.00 0.00 173.24 173.80 1qpq s LEU 2045N -0.36 4.36 -0.03 2.44 2.01 -0.05 0.35 118.68 127.40 1qpq s LEU 2045Ca 0.05 -0.16 0.05 0.00 0.01 0.00 0.00 54.13 54.09 1qpq s LEU 2045Cb -0.06 -2.83 -0.01 0.00 0.01 0.00 0.00 46.19 43.31 1qpq s LEU 2045CO -0.00 -0.79 -0.18 0.68 1.01 0.00 0.00 176.35 177.06 1qpq s VAL 2046N 2.96 1.48 0.30 -1.59 -7.23 0.77 0.12 120.40 117.22 1qpq s VAL 2046Ca 0.26 -0.78 -0.28 0.00 -1.81 0.00 0.00 61.98 59.37 1qpq s VAL 2046Cb -0.13 -1.25 -0.09 0.00 0.56 0.00 0.00 36.38 35.46 1qpq s VAL 2046CO 0.19 0.42 1.03 0.42 -0.31 0.00 0.00 175.10 176.86 1qpq s THR 2047N -0.24 3.77 -1.27 5.32 -4.23 -0.83 -0.37 115.64 117.79 1qpq s THR 2047Ca 0.02 1.65 0.24 0.00 -1.18 0.00 0.00 61.69 62.42 1qpq s THR 2047Cb -0.09 -4.00 -0.02 0.00 1.34 0.00 0.00 72.50 69.74 1qpq s THR 2047CO 0.01 0.29 1.25 0.54 -0.54 0.00 0.00 174.62 176.17 1qpq n ARG 2048N 0.92 0.31 -4.05 3.99 3.00 0.48 -3.96 116.66 117.35 1qpq n ARG 2048Ca 0.00 -0.22 -0.10 0.00 -0.01 0.00 0.00 57.85 57.53 1qpq n ARG 2048Cb 0.47 -1.50 -0.08 0.00 0.00 0.00 0.00 32.46 31.36 1qpq n ARG 2048CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1qpq s GLU 2049N -2.84 1.21 0.47 5.56 -1.05 -1.23 -4.85 118.70 115.97 1qpq s GLU 2049Ca 0.13 -1.32 -0.12 0.00 -0.15 0.00 0.00 54.97 53.51 1qpq s GLU 2049Cb 0.17 0.35 -0.06 0.00 -0.44 0.00 0.00 34.13 34.16 1qpq s GLU 2049CO 0.70 -0.44 0.87 0.00 0.95 0.00 0.00 175.26 177.34 1qpq s ALA 2050N -4.03 3.24 0.00 -0.84 0.00 -1.26 -4.22 121.76 114.65 1qpq s ALA 2050Ca 0.24 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.09 1qpq s ALA 2050Cb 0.04 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 20.30 1qpq s ALA 2050CO 0.05 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.02 1qpq n GLY 2051N -1.66 -1.05 3.53 0.00 0.00 -0.30 -4.97 105.19 100.75 1qpq n GLY 2051Ca 0.04 -1.01 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 1qpq n GLY 2051CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qpq s VAL 2052N -3.00 3.71 0.00 1.61 1.01 -1.26 0.41 120.40 122.88 1qpq s VAL 2052Ca 0.00 -0.45 -0.17 0.00 0.00 0.00 0.00 61.98 61.36 1qpq s VAL 2052Cb 0.00 -2.56 -0.06 0.00 0.00 0.00 0.00 36.38 33.76 1qpq s VAL 2052CO 0.00 0.55 0.47 0.54 0.00 0.00 0.00 175.10 176.66 1qpq s VAL 2053N -0.25 4.96 -0.09 2.92 0.11 -0.43 -4.29 120.40 123.33 1qpq s VAL 2053Ca 0.04 0.98 -0.14 0.00 -2.93 0.00 0.00 61.98 59.93 1qpq s VAL 2053Cb -0.13 -3.79 0.03 0.00 -1.53 0.00 0.00 36.38 30.96 1qpq s VAL 2053CO 0.03 0.53 0.35 0.00 -3.33 0.00 0.00 175.10 172.67 1qpq s ALA 2054N -0.79 -0.88 0.00 1.54 0.00 -1.26 0.58 121.76 120.94 1qpq s ALA 2054Ca 0.26 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.97 1qpq s ALA 2054Cb -0.17 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.63 1qpq s ALA 2054CO 0.15 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.10 1qpq n GLY 2055N 2.20 0.63 0.33 0.00 0.00 -1.26 -3.87 105.19 103.21 1qpq n GLY 2055Ca -0.17 -0.42 0.15 0.00 0.00 0.00 0.00 46.02 45.59 1qpq n GLY 2055CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qpq h LEU 2056N 0.00 0.00 -1.40 0.99 4.07 -1.94 0.43 115.31 117.46 1qpq h LEU 2056Ca 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.90 1qpq h LEU 2056Cb 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 1qpq h LEU 2056CO 0.00 0.00 -0.28 0.44 -1.08 0.00 0.00 178.44 177.52 1qpq h ASP 2057N 0.00 0.03 0.59 -0.43 3.32 -1.97 -1.09 116.42 116.86 1qpq h ASP 2057Ca 0.14 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1qpq h ASP 2057Cb 0.56 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.11 1qpq h ASP 2057CO -0.00 0.31 -0.07 0.58 -1.72 0.00 0.00 179.24 178.34 1qpq h VAL 2058N 0.02 0.25 0.14 -1.35 2.07 -1.31 -0.54 116.25 115.53 1qpq h VAL 2058Ca 0.00 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 1qpq h VAL 2058Cb 0.52 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1qpq h VAL 2058CO 0.04 0.06 -0.07 0.00 0.02 0.00 0.00 177.57 177.63 1qpq h ALA 2059N 1.93 -0.19 -0.75 1.67 0.00 -1.20 -2.83 119.26 117.90 1qpq h ALA 2059Ca -0.00 -0.23 0.13 0.00 0.00 0.00 0.00 54.91 54.81 1qpq h ALA 2059Cb 0.38 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.15 1qpq h ALA 2059CO 0.01 -0.25 0.32 -0.07 0.00 0.00 0.00 179.25 179.26 1qpq h LEU 2060N -0.90 0.33 -2.19 0.00 -0.00 -1.26 0.45 115.31 111.75 1qpq h LEU 2060Ca -0.02 0.10 -0.01 0.00 -0.00 0.00 0.00 57.88 57.95 1qpq h LEU 2060Cb 0.52 0.06 -0.00 0.00 -0.00 0.00 0.00 40.66 41.23 1qpq h LEU 2060CO 0.03 0.15 -0.03 -0.07 -0.00 0.00 0.00 178.44 178.52 1qpq h LEU 2061N 0.49 0.00 -0.15 1.67 3.38 -1.13 -0.40 115.31 119.17 1qpq h LEU 2061Ca 0.40 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.14 1qpq h LEU 2061Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1qpq h LEU 2061CO -0.37 0.03 -0.96 0.74 0.09 0.00 0.00 178.44 177.97 1qpq h THR 2062N 0.00 1.39 -0.06 0.22 2.02 -0.66 -2.50 112.91 113.32 1qpq h THR 2062Ca -0.00 -2.43 -0.02 0.00 0.77 0.00 0.00 66.41 64.73 1qpq h THR 2062Cb 0.06 2.42 -0.00 0.00 -1.74 0.00 0.00 68.15 68.89 1qpq h THR 2062CO 0.00 0.73 -0.04 -0.07 0.37 0.00 0.00 175.52 176.51 1qpq h LEU 2063N 0.25 0.14 -0.85 2.58 4.07 -0.87 -0.81 115.31 119.81 1qpq h LEU 2063Ca -0.09 -0.44 0.18 0.00 0.08 0.00 0.00 57.88 57.61 1qpq h LEU 2063Cb 1.60 -0.04 -0.11 0.00 1.08 0.00 0.00 40.66 43.19 1qpq h LEU 2063CO 0.17 0.55 0.38 0.78 -1.08 0.00 0.00 178.44 179.24 1qpq h ASN 2064N -0.28 0.36 -0.09 -0.43 2.35 -1.13 0.96 115.58 117.33 1qpq h ASN 2064Ca 0.01 0.13 -0.13 0.00 -0.55 0.00 0.00 56.30 55.75 1qpq h ASN 2064Cb 0.50 0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 1qpq h ASN 2064CO 0.01 0.08 -0.39 -0.08 -1.65 0.00 0.00 177.43 175.40 1qpq h GLU 2065N 0.47 0.61 0.04 0.81 4.57 -1.17 0.53 114.58 120.44 1qpq h GLU 2065Ca 0.50 -0.31 -0.25 0.00 -1.18 0.00 0.00 59.36 58.12 1qpq h GLU 2065Cb 0.85 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.42 1qpq h GLU 2065CO -0.46 0.90 -1.37 0.28 -1.18 0.00 0.00 179.01 177.18 1qpq h VAL 2066N 0.50 0.92 0.00 0.32 2.07 0.53 -3.41 116.25 117.18 1qpq h VAL 2066Ca 0.04 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 65.31 1qpq h VAL 2066Cb 0.90 2.42 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 1qpq h VAL 2066CO 0.08 0.51 -1.50 0.18 0.02 0.00 0.00 177.57 176.86 1qpq n LEU 2067N -4.17 0.35 0.00 2.57 4.77 0.31 -5.01 117.00 115.82 1qpq n LEU 2067Ca -0.30 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 1qpq n LEU 2067Cb 0.78 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.87 1qpq n LEU 2067CO 0.28 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1qpq n GLY 2068N 1.41 -1.14 0.31 -0.72 0.00 0.18 -3.66 105.19 101.57 1qpq n GLY 2068Ca -0.01 -1.49 0.10 0.00 0.00 0.00 0.00 46.02 44.63 1qpq n GLY 2068CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1qpq h THR 2069N 0.00 0.57 -0.38 2.61 2.02 -1.86 0.31 112.91 116.18 1qpq h THR 2069Ca 0.00 -0.16 -0.09 0.00 0.77 0.00 0.00 66.41 66.92 1qpq h THR 2069Cb 0.00 0.06 -0.06 0.00 -1.74 0.00 0.00 68.15 66.41 1qpq h THR 2069CO 0.00 0.09 0.12 0.59 0.37 0.00 0.00 175.52 176.69 1qpq n ASN 2070N -4.99 3.50 -0.08 4.18 3.02 -1.26 -3.92 115.26 115.70 1qpq n ASN 2070Ca 0.20 -2.62 0.11 0.00 -0.03 0.00 0.00 54.58 52.23 1qpq n ASN 2070Cb 0.56 -0.63 -0.02 0.00 -0.61 0.00 0.00 39.78 39.08 1qpq n ASN 2070CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qpq n GLY 2071N 0.09 -0.87 3.53 7.41 0.00 0.11 -5.00 105.19 110.46 1qpq n GLY 2071Ca 0.21 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 1qpq n GLY 2071CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qpq s TYR 2072N -2.90 -0.03 -0.06 1.61 1.13 -1.25 -4.07 117.35 111.78 1qpq s TYR 2072Ca 0.11 -0.32 0.02 0.00 -1.41 0.00 0.00 57.07 55.46 1qpq s TYR 2072Cb 0.17 0.35 0.02 0.00 -1.10 0.00 0.00 41.96 41.39 1qpq s TYR 2072CO 0.78 -0.92 -0.09 0.50 -2.51 0.00 0.00 175.55 173.31 1qpq s ARG 2073N -3.90 1.36 -0.39 -3.49 3.52 -0.01 -4.97 118.95 111.07 1qpq s ARG 2073Ca 0.11 -0.29 -0.18 0.00 -0.13 0.00 0.00 55.73 55.24 1qpq s ARG 2073Cb -0.01 -1.18 0.01 0.00 -1.56 0.00 0.00 34.95 32.21 1qpq s ARG 2073CO -0.01 -0.02 0.50 0.08 -0.81 0.00 0.00 175.30 175.04 1qpq s VAL 2074N 0.77 5.02 -0.36 7.11 1.01 -1.26 0.05 120.40 132.74 1qpq s VAL 2074Ca -0.13 0.00 0.22 0.00 0.00 0.00 0.00 61.98 62.07 1qpq s VAL 2074Cb -0.15 -4.03 0.24 0.00 0.00 0.00 0.00 36.38 32.44 1qpq s VAL 2074CO 0.02 -0.36 1.49 -0.07 0.00 0.00 0.00 175.10 176.18 1qpq h LEU 2075N 9.17 0.00 -7.00 3.92 4.07 -0.97 -3.48 115.31 121.02 1qpq h LEU 2075Ca -0.27 0.00 0.17 0.00 0.08 0.00 0.00 57.88 57.86 1qpq h LEU 2075Cb 1.12 0.00 -0.25 0.00 1.08 0.00 0.00 40.66 42.61 1qpq h LEU 2075CO 0.80 0.09 0.77 -0.62 -1.08 0.00 0.00 178.44 178.40 1qpq s ASP 2076N -6.12 -0.19 0.10 -0.43 -1.08 -0.84 -4.95 116.67 103.16 1qpq s ASP 2076Ca 0.05 0.19 -0.24 0.00 -0.52 0.00 0.00 52.55 52.03 1qpq s ASP 2076Cb 0.06 0.16 0.07 0.00 -1.46 0.00 0.00 42.92 41.74 1qpq s ASP 2076CO 0.70 -0.18 0.59 0.00 0.52 0.00 0.00 175.17 176.80 1qpq s ARG 2077N -1.17 1.18 0.30 4.34 1.70 -1.26 0.30 118.95 124.34 1qpq s ARG 2077Ca 0.04 -0.30 0.06 0.00 -0.47 0.00 0.00 55.73 55.07 1qpq s ARG 2077Cb -0.01 0.55 -0.02 0.00 -0.57 0.00 0.00 34.95 34.90 1qpq s ARG 2077CO -0.04 -0.48 0.39 0.54 -1.08 0.00 0.00 175.30 174.64 1qpq s VAL 2078N -3.03 4.44 0.25 4.99 0.11 0.10 -4.94 120.40 122.32 1qpq s VAL 2078Ca -0.02 -1.06 -0.13 0.00 -2.93 0.00 0.00 61.98 57.84 1qpq s VAL 2078Cb -0.01 -3.54 -0.08 0.00 -1.53 0.00 0.00 36.38 31.23 1qpq s VAL 2078CO -0.06 -0.23 0.62 -1.61 -3.33 0.00 0.00 175.10 170.49 1qpq s GLU 2079N -4.07 3.92 0.47 1.54 0.41 -1.26 -5.00 118.70 114.72 1qpq s GLU 2079Ca 0.40 0.48 -0.24 0.00 -0.41 0.00 0.00 54.97 55.19 1qpq s GLU 2079Cb -0.09 -2.63 -0.07 0.00 -1.78 0.00 0.00 34.13 29.56 1qpq s GLU 2079CO 0.29 0.29 1.37 -0.51 -0.49 0.00 0.00 175.26 176.22 1qpq s ASP 2080N -2.19 5.79 0.00 -0.19 1.11 -1.26 -2.62 116.67 117.31 1qpq s ASP 2080Ca 0.48 2.79 0.00 0.00 0.18 0.00 0.00 52.55 55.99 1qpq s ASP 2080Cb -0.12 -2.64 0.00 0.00 1.07 0.00 0.00 42.92 41.23 1qpq s ASP 2080CO 0.20 -1.22 0.00 0.61 1.18 0.00 0.00 175.17 175.94 1qpq n GLY 2081N 0.63 0.91 3.74 0.21 0.00 0.20 -5.00 105.19 105.88 1qpq n GLY 2081Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1qpq n GLY 2081CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qpq s ALA 2082N -2.57 3.37 -0.02 4.61 0.00 -1.08 -4.73 121.76 121.34 1qpq s ALA 2082Ca 0.00 0.82 -0.29 0.00 0.00 0.00 0.00 51.96 52.49 1qpq s ALA 2082Cb 0.00 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 1qpq s ALA 2082CO 0.00 -0.22 0.95 1.03 0.00 0.00 0.00 175.76 177.52 1qpq s ARG 2083N -0.33 4.52 -0.01 0.00 1.81 -1.26 -1.31 118.95 122.37 1qpq s ARG 2083Ca 0.50 1.35 0.03 0.00 -1.72 0.00 0.00 55.73 55.89 1qpq s ARG 2083Cb -0.29 -3.47 -0.01 0.00 -0.45 0.00 0.00 34.95 30.73 1qpq s ARG 2083CO 0.35 -0.08 -0.11 0.08 -0.68 0.00 0.00 175.30 174.86 1qpq s VAL 2084N 1.14 0.89 0.56 3.52 1.01 0.16 -4.99 120.40 122.69 1qpq s VAL 2084Ca 0.50 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.94 1qpq s VAL 2084Cb -0.20 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.45 1qpq s VAL 2084CO 0.25 0.23 0.83 -2.16 0.00 0.00 0.00 175.10 174.26 1qpq s PRO 2085N -0.32 2.79 0.00 2.72 0.04 -1.26 -1.15 135.00 137.82 1qpq s PRO 2085Ca 0.04 -0.31 0.00 0.00 0.04 0.00 0.00 61.00 60.77 1qpq s PRO 2085Cb -0.05 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 32.12 1qpq s PRO 2085CO -0.00 -0.67 0.33 -2.30 0.04 0.00 0.00 177.00 174.40 1qpq n PRO 2086N -2.46 0.00 -0.29 0.56 -0.02 -1.26 -2.55 135.00 128.98 1qpq n PRO 2086Ca 0.05 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1qpq n PRO 2086Cb 0.58 -0.72 0.00 0.00 -0.02 0.00 0.00 33.50 33.35 1qpq n PRO 2086CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qpq n GLY 2087N -0.76 2.25 3.74 -1.23 0.00 -1.25 -3.93 105.19 104.01 1qpq n GLY 2087Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1qpq n GLY 2087CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qpq s GLU 2088N 0.04 4.63 -0.53 1.61 2.56 -1.06 -4.83 118.70 121.12 1qpq s GLU 2088Ca 0.00 1.72 -0.22 0.00 0.00 0.00 0.00 54.97 56.47 1qpq s GLU 2088Cb 0.00 -3.26 0.05 0.00 2.00 0.00 0.00 34.13 32.92 1qpq s GLU 2088CO 0.00 0.14 0.80 0.00 -0.56 0.00 0.00 175.26 175.64 1qpq s ALA 2089N -0.53 3.26 0.25 6.30 0.00 -1.26 -1.97 121.76 127.80 1qpq s ALA 2089Ca 0.47 -1.47 0.01 0.00 0.00 0.00 0.00 51.96 50.97 1qpq s ALA 2089Cb -0.30 -3.56 0.30 0.00 0.00 0.00 0.00 23.12 19.56 1qpq s ALA 2089CO 0.36 -2.21 1.64 -0.07 0.00 0.00 0.00 175.76 175.48 1qpq h LEU 2090N 10.39 0.53 -7.00 0.00 3.38 -0.70 -3.44 115.31 118.47 1qpq h LEU 2090Ca -0.27 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.52 1qpq h LEU 2090Cb 1.08 -0.15 -0.23 0.00 0.09 0.00 0.00 40.66 41.46 1qpq h LEU 2090CO 1.03 0.84 0.17 -0.32 0.09 0.00 0.00 178.44 180.26 1qpq s MET 2091N -4.32 0.63 -0.10 1.13 0.00 -1.21 0.02 119.30 115.45 1qpq s MET 2091Ca -0.07 0.98 0.02 0.00 0.00 0.00 0.00 55.69 56.62 1qpq s MET 2091Cb 0.13 0.18 -0.01 0.00 0.00 0.00 0.00 34.83 35.13 1qpq s MET 2091CO 0.81 -0.11 -0.16 0.99 0.00 0.00 0.00 175.02 176.54 1qpq s THR 2092N 1.19 2.81 0.21 10.11 2.01 0.15 -0.87 115.64 131.24 1qpq s THR 2092Ca -0.07 -0.77 -0.03 0.00 0.31 0.00 0.00 61.69 61.14 1qpq s THR 2092Cb -0.05 -2.13 -0.03 0.00 0.01 0.00 0.00 72.50 70.29 1qpq s THR 2092CO -0.13 0.55 0.19 -1.48 -0.69 0.00 0.00 174.62 173.05 1qpq s LEU 2093N 0.06 1.03 -0.09 4.42 0.05 -0.28 -0.27 118.68 123.60 1qpq s LEU 2093Ca -0.06 -1.32 0.02 0.00 0.05 0.00 0.00 54.13 52.81 1qpq s LEU 2093Cb -0.15 0.60 0.01 0.00 -2.05 0.00 0.00 46.19 44.60 1qpq s LEU 2093CO 0.05 -0.89 -0.15 -0.70 -0.55 0.00 0.00 176.35 174.11 1qpq s GLU 2094N -4.13 2.09 0.21 1.48 2.12 0.11 -0.82 118.70 119.76 1qpq s GLU 2094Ca 0.36 -0.53 -0.22 0.00 0.36 0.00 0.00 54.97 54.94 1qpq s GLU 2094Cb 0.06 -1.73 0.05 0.00 0.26 0.00 0.00 34.13 32.76 1qpq s GLU 2094CO 0.12 0.00 0.70 0.00 -0.54 0.00 0.00 175.26 175.53 1qpq s ALA 2095N 0.79 -1.42 0.17 6.30 0.00 0.05 -0.82 121.76 126.83 1qpq s ALA 2095Ca -0.11 0.08 -0.32 0.00 0.00 0.00 0.00 51.96 51.61 1qpq s ALA 2095Cb -0.16 0.83 -0.12 0.00 0.00 0.00 0.00 23.12 23.68 1qpq s ALA 2095CO 0.02 -0.92 1.77 0.94 0.00 0.00 0.00 175.76 177.57 1qpq n GLN 2096N -0.42 2.77 -0.15 0.00 7.27 -1.26 -0.99 117.38 124.61 1qpq n GLN 2096Ca -0.09 1.00 -0.04 0.00 0.07 0.00 0.00 57.00 57.94 1qpq n GLN 2096Cb 0.62 -2.87 0.05 0.00 2.41 0.00 0.00 30.24 30.44 1qpq n GLN 2096CO 0.00 0.00 0.00 1.15 0.07 0.00 0.00 177.06 178.28 1qpq h THR 2097N 4.15 0.89 -0.80 1.69 2.02 -1.27 -2.50 112.91 117.08 1qpq h THR 2097Ca -0.44 -0.13 0.08 0.00 0.77 0.00 0.00 66.41 66.69 1qpq h THR 2097Cb 1.21 0.48 -0.07 0.00 -1.74 0.00 0.00 68.15 68.03 1qpq h THR 2097CO 0.95 0.07 0.47 0.03 0.37 0.00 0.00 175.52 177.41 1qpq h ARG 2098N 0.38 0.79 -0.49 6.66 3.08 -1.86 -1.35 114.38 121.59 1qpq h ARG 2098Ca 0.21 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1qpq h ARG 2098Cb 0.18 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1qpq h ARG 2098CO -0.19 0.52 0.26 0.78 -1.07 0.00 0.00 179.97 180.26 1qpq h GLY 2099N 0.81 0.73 1.00 0.04 0.00 -1.84 -2.53 103.07 101.28 1qpq h GLY 2099Ca 0.38 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1qpq h GLY 2099CO -0.22 0.32 0.05 1.41 0.00 0.00 0.00 176.54 178.10 1qpq h LEU 2100N 0.64 0.08 -1.81 3.11 3.38 -0.99 -1.21 115.31 118.51 1qpq h LEU 2100Ca 0.17 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1qpq h LEU 2100Cb 0.07 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1qpq h LEU 2100CO -0.03 0.06 -0.13 -0.07 0.09 0.00 0.00 178.44 178.36 1qpq h LEU 2101N 0.09 0.00 0.05 1.67 4.07 -1.09 0.81 115.31 120.92 1qpq h LEU 2101Ca 0.03 0.00 -0.27 0.00 0.08 0.00 0.00 57.88 57.72 1qpq h LEU 2101Cb -0.01 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.71 1qpq h LEU 2101CO -0.01 0.13 -1.36 0.74 -1.08 0.00 0.00 178.44 176.86 1qpq h THR 2102N 0.00 1.31 0.01 0.22 2.02 -1.26 -3.33 112.91 111.88 1qpq h THR 2102Ca -0.00 -3.02 -0.21 0.00 0.77 0.00 0.00 66.41 63.95 1qpq h THR 2102Cb 0.25 2.73 -0.03 0.00 -1.74 0.00 0.00 68.15 69.37 1qpq h THR 2102CO 0.02 0.81 -1.01 0.00 0.37 0.00 0.00 175.52 175.70 1qpq h ALA 2103N 0.79 0.34 -0.49 6.16 0.00 -0.82 -3.41 119.26 121.82 1qpq h ALA 2103Ca -0.16 -0.90 0.04 0.00 0.00 0.00 0.00 54.91 53.89 1qpq h ALA 2103Cb 1.93 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 19.51 1qpq h ALA 2103CO 0.14 1.21 -0.29 -1.91 0.00 0.00 0.00 179.25 178.39 1qpq n GLU 2104N -3.38 -0.22 -0.22 0.00 2.13 0.24 -1.84 120.64 117.36 1qpq n GLU 2104Ca -0.01 1.02 -0.06 0.00 0.66 0.00 0.00 57.16 58.77 1qpq n GLU 2104Cb 0.94 -1.51 0.04 0.00 0.27 0.00 0.00 31.44 31.18 1qpq n GLU 2104CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1qpq h ARG 2105N 0.00 0.83 -0.81 5.31 9.65 -1.81 0.36 114.38 127.91 1qpq h ARG 2105Ca 0.08 -0.06 -0.03 0.00 -1.10 0.00 0.00 59.98 58.87 1qpq h ARG 2105Cb 0.20 -0.18 -0.04 0.00 -1.39 0.00 0.00 29.97 28.56 1qpq h ARG 2105CO -0.46 0.57 0.38 1.15 2.80 0.00 0.00 179.97 184.41 1qpq h THR 2106N 0.84 1.25 -0.04 0.20 2.02 -1.76 0.04 112.91 115.46 1qpq h THR 2106Ca 0.23 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 1qpq h THR 2106Cb -0.06 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 66.57 1qpq h THR 2106CO -0.05 0.30 -0.02 -0.03 0.37 0.00 0.00 175.52 176.10 1qpq h MET 2107N 1.15 0.09 -0.38 6.66 1.85 -0.92 -2.89 114.93 120.49 1qpq h MET 2107Ca 0.28 -0.04 -0.02 0.00 -0.61 0.00 0.00 59.70 59.31 1qpq h MET 2107Cb 0.12 -0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.13 1qpq h MET 2107CO -0.03 0.47 0.18 -0.07 -0.40 0.00 0.00 176.91 177.05 1qpq h LEU 2108N -0.29 0.50 -0.91 3.39 4.07 -0.85 -1.86 115.31 119.37 1qpq h LEU 2108Ca 0.01 -0.13 0.09 0.00 0.08 0.00 0.00 57.88 57.93 1qpq h LEU 2108Cb 0.44 -0.13 -0.07 0.00 1.08 0.00 0.00 40.66 41.98 1qpq h LEU 2108CO 0.01 0.50 0.55 0.78 -1.08 0.00 0.00 178.44 179.20 1qpq h ASN 2109N 0.48 0.83 0.27 -0.43 2.35 -1.03 0.56 115.58 118.60 1qpq h ASN 2109Ca 0.13 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 1qpq h ASN 2109Cb 0.13 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.38 1qpq h ASN 2109CO -0.02 0.48 -0.13 -0.07 -1.65 0.00 0.00 177.43 176.04 1qpq h LEU 2110N 0.93 -0.30 -1.55 1.61 -0.00 -1.26 -2.68 115.31 112.06 1qpq h LEU 2110Ca 0.43 -0.22 -0.03 0.00 -0.00 0.00 0.00 57.88 58.05 1qpq h LEU 2110Cb 0.35 0.08 -0.00 0.00 -0.00 0.00 0.00 40.66 41.08 1qpq h LEU 2110CO -0.23 0.18 -0.16 -0.37 -0.00 0.00 0.00 178.44 177.85 1qpq h VAL 2111N -0.91 0.52 -0.14 1.22 -1.51 -1.31 0.47 116.25 114.59 1qpq h VAL 2111Ca -0.04 -0.80 -0.16 0.00 -1.23 0.00 0.00 66.70 64.47 1qpq h VAL 2111Cb 0.50 1.54 0.01 0.00 -2.13 0.00 0.00 31.29 31.21 1qpq h VAL 2111CO 0.06 0.16 -0.55 1.23 -1.23 0.00 0.00 177.57 177.24 1qpq h GLY 2112N 1.45 0.69 0.73 5.19 0.00 -0.97 -0.04 103.07 110.12 1qpq h GLY 2112Ca -0.00 -0.93 -0.01 0.00 0.00 0.00 0.00 47.33 46.39 1qpq h GLY 2112CO 0.02 0.83 -0.07 0.84 0.00 0.00 0.00 176.54 178.16 1qpq h HIS 2113N 0.29 -0.18 -0.11 5.60 6.17 -1.08 0.12 115.15 125.97 1qpq h HIS 2113Ca -0.03 -0.00 -0.05 0.00 0.71 0.00 0.00 60.37 60.99 1qpq h HIS 2113Cb 1.18 0.06 -0.01 0.00 2.52 0.00 0.00 27.41 31.16 1qpq h HIS 2113CO 0.10 0.11 -0.18 -0.07 0.71 0.00 0.00 177.93 178.61 1qpq h LEU 2114N -0.47 0.16 -0.17 0.26 3.38 -0.96 -2.19 115.31 115.33 1qpq h LEU 2114Ca -0.02 -0.04 -0.23 0.00 0.09 0.00 0.00 57.88 57.69 1qpq h LEU 2114Cb 0.37 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.08 1qpq h LEU 2114CO 0.03 0.36 -0.92 0.28 0.09 0.00 0.00 178.44 178.28 1qpq h SER 2115N 0.16 0.62 -0.67 -0.43 0.02 -0.86 -2.15 113.55 110.23 1qpq h SER 2115Ca 0.03 -0.48 0.04 0.00 -0.84 0.00 0.00 61.79 60.54 1qpq h SER 2115Cb 0.41 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.72 1qpq h SER 2115CO 0.03 1.27 0.40 1.23 -1.14 0.00 0.00 176.83 178.62 1qpq h GLY 2116N 1.05 0.98 0.90 -3.77 0.00 -0.49 0.49 103.07 102.23 1qpq h GLY 2116Ca -0.08 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 1qpq h GLY 2116CO 0.17 0.22 0.02 -2.22 0.00 0.00 0.00 176.54 174.72 1qpq h ILE 2117N 0.77 1.09 -0.30 2.60 2.04 -1.26 -1.42 117.51 121.02 1qpq h ILE 2117Ca 0.28 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.83 1qpq h ILE 2117Cb 0.09 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1qpq h ILE 2117CO -0.14 0.08 0.01 0.00 0.00 0.00 0.00 178.15 178.10 1qpq h ALA 2118N 0.91 1.46 0.14 1.87 0.00 -1.11 -0.61 119.26 121.91 1qpq h ALA 2118Ca 0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1qpq h ALA 2118Cb 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1qpq h ALA 2118CO -0.00 0.39 -0.07 1.15 0.00 0.00 0.00 179.25 180.72 1qpq h THR 2119N 0.44 0.98 -0.69 0.00 2.02 -0.54 -1.63 112.91 113.49 1qpq h THR 2119Ca 0.10 -0.53 -0.03 0.00 0.77 0.00 0.00 66.41 66.72 1qpq h THR 2119Cb 0.27 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.96 1qpq h THR 2119CO 0.01 0.12 0.31 0.00 0.37 0.00 0.00 175.52 176.33 1qpq h ALA 2120N 0.38 0.89 -0.18 6.16 0.00 -1.07 -2.57 119.26 122.87 1qpq h ALA 2120Ca -0.02 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1qpq h ALA 2120Cb 0.35 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1qpq h ALA 2120CO 0.03 0.48 -0.17 0.00 0.00 0.00 0.00 179.25 179.59 1qpq h THR 2121N 0.97 1.22 0.00 0.00 1.03 -1.03 -1.67 112.91 113.42 1qpq h THR 2121Ca 0.23 -0.97 -0.06 0.00 -0.01 0.00 0.00 66.41 65.60 1qpq h THR 2121Cb 0.16 1.27 -0.01 0.00 -1.07 0.00 0.00 68.15 68.50 1qpq h THR 2121CO -0.03 0.30 -0.28 0.00 -0.01 0.00 0.00 175.52 175.51 1qpq h ALA 2122N 1.54 1.31 -0.24 0.00 0.00 -0.95 0.17 119.26 121.09 1qpq h ALA 2122Ca 0.05 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 1qpq h ALA 2122Cb 0.48 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1qpq h ALA 2122CO 0.03 0.35 -0.30 0.00 0.00 0.00 0.00 179.25 179.33 1qpq h ALA 2123N 1.72 0.36 -0.46 0.00 0.00 -0.94 -1.39 119.26 118.55 1qpq h ALA 2123Ca -0.00 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1qpq h ALA 2123Cb 0.58 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1qpq h ALA 2123CO 0.04 0.39 0.11 -1.49 0.00 0.00 0.00 179.25 178.29 1qpq h TRP 2124N 0.34 0.78 -0.62 0.00 4.06 -0.99 -1.13 115.95 118.39 1qpq h TRP 2124Ca 0.03 -0.10 0.05 0.00 2.06 0.00 0.00 58.89 60.93 1qpq h TRP 2124Cb 0.88 -0.22 -0.05 0.00 -1.00 0.00 0.00 29.16 28.77 1qpq h TRP 2124CO 0.08 0.72 0.35 0.28 -3.56 0.00 0.00 178.44 176.31 1qpq h VAL 2125N 0.62 1.00 -0.45 1.49 2.07 -0.88 -1.54 116.25 118.56 1qpq h VAL 2125Ca 0.15 -0.23 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 1qpq h VAL 2125Cb 0.33 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1qpq h VAL 2125CO 0.00 0.12 -0.10 0.44 0.02 0.00 0.00 177.57 178.05 1qpq h ASP 2126N 0.67 0.80 -0.66 0.57 3.32 -0.95 -2.96 116.42 117.22 1qpq h ASP 2126Ca 0.27 -0.24 0.07 0.00 0.02 0.00 0.00 57.03 57.15 1qpq h ASP 2126Cb 0.12 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 1qpq h ASP 2126CO -0.15 0.93 0.44 0.00 -1.72 0.00 0.00 179.24 178.73 1qpq h ALA 2127N 1.15 1.81 -0.50 3.45 0.00 -0.18 -2.48 119.26 122.50 1qpq h ALA 2127Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1qpq h ALA 2127Cb 0.59 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1qpq h ALA 2127CO 0.04 0.08 0.00 1.33 0.00 0.00 0.00 179.25 180.70 1qpq n VAL 2128N -4.48 2.05 -1.85 0.00 0.24 -1.02 -4.37 118.33 108.89 1qpq n VAL 2128Ca 0.10 -1.39 -0.39 0.00 -2.04 0.00 0.00 64.34 60.62 1qpq n VAL 2128Cb 0.26 -0.01 0.03 0.00 -1.47 0.00 0.00 33.84 32.65 1qpq n VAL 2128CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1qpq s ARG 2129N -2.18 3.44 0.00 7.34 3.52 -0.94 -2.57 118.95 127.56 1qpq s ARG 2129Ca 0.46 2.25 0.00 0.00 -0.13 0.00 0.00 55.73 58.31 1qpq s ARG 2129Cb 0.33 -2.44 0.00 0.00 -1.56 0.00 0.00 34.95 31.28 1qpq s ARG 2129CO 0.18 -0.96 0.00 0.41 -0.81 0.00 0.00 175.30 174.12 1qpq n GLY 2130N 0.65 0.55 3.32 8.12 0.00 -1.26 -5.01 105.19 111.56 1qpq n GLY 2130Ca 0.08 -0.10 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 1qpq n GLY 2130CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qpq s THR 2131N -2.00 1.35 -2.17 2.61 2.01 -1.06 -5.05 115.64 111.33 1qpq s THR 2131Ca 0.00 -2.10 0.27 0.00 0.31 0.00 0.00 61.69 60.16 1qpq s THR 2131Cb 0.00 -2.12 0.36 0.00 0.01 0.00 0.00 72.50 70.74 1qpq s THR 2131CO 0.00 -0.53 1.58 2.29 -0.69 0.00 0.00 174.62 177.27 1qpq n LYS 2132N -0.36 1.31 -2.20 4.92 2.85 -1.26 -4.97 118.16 118.45 1qpq n LYS 2132Ca -0.08 -0.83 -0.37 0.00 -1.05 0.00 0.00 58.31 55.99 1qpq n LYS 2132Cb 0.62 -1.48 -0.00 0.00 -0.65 0.00 0.00 35.03 33.51 1qpq n LYS 2132CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1qpq s ALA 2133N -2.26 2.94 0.06 0.58 0.00 -1.26 -4.91 121.76 116.91 1qpq s ALA 2133Ca 0.30 0.98 0.09 0.00 0.00 0.00 0.00 51.96 53.32 1qpq s ALA 2133Cb 0.20 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 1qpq s ALA 2133CO 0.43 -0.75 -0.23 0.15 0.00 0.00 0.00 175.76 175.36 1qpq s LYS 2134N -2.75 1.86 -0.14 0.00 3.01 -0.89 -4.94 119.74 115.89 1qpq s LYS 2134Ca 0.65 -1.10 -0.17 0.00 -1.01 0.00 0.00 55.97 54.34 1qpq s LYS 2134Cb -0.30 -2.06 -0.04 0.00 -1.01 0.00 0.00 37.83 34.42 1qpq s LYS 2134CO 0.36 0.51 0.45 0.42 0.51 0.00 0.00 175.35 177.61 1qpq s ILE 2135N -0.91 5.19 0.17 2.17 -1.09 -1.26 -1.02 121.20 124.45 1qpq s ILE 2135Ca 0.14 0.88 0.09 0.00 -2.23 0.00 0.00 60.65 59.52 1qpq s ILE 2135Cb -0.10 -3.79 -0.04 0.00 -1.58 0.00 0.00 42.46 36.95 1qpq s ILE 2135CO 0.04 0.30 -0.18 -0.13 -1.23 0.00 0.00 174.94 173.74 1qpq s ARG 2136N 0.83 1.30 0.01 2.79 0.52 0.65 -0.15 118.95 124.90 1qpq s ARG 2136Ca 0.24 -1.44 -0.00 0.00 -0.52 0.00 0.00 55.73 54.01 1qpq s ARG 2136Cb -0.15 -1.35 0.00 0.00 0.52 0.00 0.00 34.95 33.97 1qpq s ARG 2136CO 0.09 0.27 0.01 -0.40 0.02 0.00 0.00 175.30 175.29 1qpq n ASP 2137N 0.21 0.02 -0.73 0.23 5.68 -1.18 -0.88 116.55 119.90 1qpq n ASP 2137Ca -0.12 -1.01 0.00 0.00 -0.50 0.00 0.00 54.79 53.15 1qpq n ASP 2137Cb 0.57 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.54 1qpq n ASP 2137CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1qpq n THR 2138N -1.41 0.00 -0.84 2.12 -2.24 -1.26 -4.43 114.28 106.22 1qpq n THR 2138Ca 0.00 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.86 1qpq n THR 2138Cb 0.01 0.00 0.39 0.00 -2.10 0.00 0.00 70.33 68.63 1qpq n THR 2138CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1qpq n ARG 2139N 0.00 4.52 -2.41 -0.78 1.74 -1.26 -4.64 116.66 113.83 1qpq n ARG 2139Ca 0.00 -3.08 -0.42 0.00 -0.77 0.00 0.00 57.85 53.57 1qpq n ARG 2139Cb 0.00 -2.15 0.00 0.00 -1.02 0.00 0.00 32.46 29.29 1qpq n ARG 2139CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1qpq n LYS 2140N 0.69 4.01 -4.08 5.56 5.02 -1.26 -4.93 118.16 123.17 1qpq n LYS 2140Ca 0.27 -3.75 -0.25 0.00 -2.02 0.00 0.00 58.31 52.56 1qpq n LYS 2140Cb 1.11 -2.78 -0.05 0.00 -0.02 0.00 0.00 35.03 33.28 1qpq n LYS 2140CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1qpq s THR 2141N -0.64 2.07 -0.01 -0.18 -4.23 -1.26 -3.15 115.64 108.24 1qpq s THR 2141Ca 0.40 -1.65 -0.14 0.00 -1.18 0.00 0.00 61.69 59.13 1qpq s THR 2141Cb 0.11 -2.72 -0.06 0.00 1.34 0.00 0.00 72.50 71.17 1qpq s THR 2141CO 0.00 0.00 0.39 -0.76 -0.54 0.00 0.00 174.62 173.71 1qpq s LEU 2142N -4.01 4.47 -0.17 4.79 2.01 -1.26 -4.97 118.68 119.53 1qpq s LEU 2142Ca 0.36 0.92 -0.33 0.00 0.01 0.00 0.00 54.13 55.10 1qpq s LEU 2142Cb 0.02 -2.54 -0.10 0.00 0.01 0.00 0.00 46.19 43.57 1qpq s LEU 2142CO 0.21 0.33 2.02 -0.81 1.01 0.00 0.00 176.35 179.11 1qpq n PRO 2143N 1.83 1.89 0.00 1.29 -0.04 -1.26 -1.08 135.00 137.63 1qpq n PRO 2143Ca -0.14 0.63 0.00 0.00 -0.04 0.00 0.00 63.50 63.95 1qpq n PRO 2143Cb 0.53 -2.71 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 1qpq n PRO 2143CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qpq n GLY 2144N 5.15 0.47 0.01 0.55 0.00 -1.26 -4.90 105.19 105.21 1qpq n GLY 2144Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1qpq n GLY 2144CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qpq n LEU 2145N 0.00 1.26 -0.20 0.99 4.77 -0.24 -4.80 117.00 118.79 1qpq n LEU 2145Ca 0.00 -1.24 -0.02 0.00 -0.03 0.00 0.00 56.01 54.72 1qpq n LEU 2145Cb 0.00 -0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1qpq n LEU 2145CO 0.00 0.31 0.72 -0.09 -1.33 0.00 0.00 177.39 177.00 1qpq h ARG 2146N 0.05 -0.04 -0.74 3.23 2.43 -1.89 0.19 114.38 117.62 1qpq h ARG 2146Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1qpq h ARG 2146Cb 0.13 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 1qpq h ARG 2146CO 0.00 -0.03 0.41 0.00 -1.51 0.00 0.00 179.97 178.84 1qpq h ALA 2147N 1.49 1.32 -0.16 2.80 0.00 -1.93 0.24 119.26 123.02 1qpq h ALA 2147Ca 0.28 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 1qpq h ALA 2147Cb 0.48 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1qpq h ALA 2147CO -0.64 0.56 -0.34 -0.07 0.00 0.00 0.00 179.25 178.75 1qpq h LEU 2148N 1.04 0.58 -0.50 0.00 3.38 -1.50 -2.10 115.31 116.21 1qpq h LEU 2148Ca 0.26 -0.56 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 1qpq h LEU 2148Cb 0.02 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1qpq h LEU 2148CO -0.04 1.03 0.31 1.56 0.09 0.00 0.00 178.44 181.39 1qpq h GLN 2149N 0.15 0.67 -0.10 1.13 4.20 -0.35 -0.87 115.11 119.95 1qpq h GLN 2149Ca 0.00 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 1qpq h GLN 2149Cb 0.94 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.56 1qpq h GLN 2149CO 0.08 0.48 -0.27 0.87 -0.67 0.00 0.00 178.83 179.31 1qpq h LYS 2150N 0.67 0.18 -0.23 1.46 6.56 -0.58 -2.35 116.57 122.28 1qpq h LYS 2150Ca 0.18 -0.06 -0.07 0.00 -1.06 0.00 0.00 60.65 59.64 1qpq h LYS 2150Cb -0.03 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.61 1qpq h LYS 2150CO -0.04 0.44 -0.14 -0.92 -2.06 0.00 0.00 179.45 176.74 1qpq h TYR 2151N 0.16 0.57 -0.72 -1.35 3.20 -0.81 -3.00 116.97 115.03 1qpq h TYR 2151Ca 0.02 -0.15 -0.04 0.00 3.14 0.00 0.00 58.73 61.70 1qpq h TYR 2151Cb 0.57 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 1qpq h TYR 2151CO 0.01 0.78 0.28 0.00 -1.64 0.00 0.00 178.16 177.59 1qpq h ALA 2152N 0.70 1.15 -0.61 1.82 0.00 -0.67 -1.46 119.26 120.18 1qpq h ALA 2152Ca 0.05 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1qpq h ALA 2152Cb 0.65 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1qpq h ALA 2152CO 0.04 0.61 0.01 -0.39 0.00 0.00 0.00 179.25 179.52 1qpq h VAL 2153N 1.04 1.26 -0.88 0.00 -1.51 -1.49 -1.02 116.25 113.65 1qpq h VAL 2153Ca 0.24 -1.14 -0.02 0.00 -1.23 0.00 0.00 66.70 64.56 1qpq h VAL 2153Cb 0.20 0.78 -0.04 0.00 -2.13 0.00 0.00 31.29 30.11 1qpq h VAL 2153CO -0.02 0.41 0.49 -0.09 -1.23 0.00 0.00 177.57 177.13 1qpq h ARG 2154N 0.97 1.23 -0.43 5.19 2.43 -1.33 -0.63 114.38 121.80 1qpq h ARG 2154Ca 0.17 -0.14 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 1qpq h ARG 2154Cb 0.54 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 1qpq h ARG 2154CO 0.03 0.90 0.04 1.15 -1.51 0.00 0.00 179.97 180.58 1qpq h THR 2155N 1.23 1.22 0.00 0.20 2.02 -0.66 -1.92 112.91 115.01 1qpq h THR 2155Ca 0.31 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.65 1qpq h THR 2155Cb 0.02 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1qpq h THR 2155CO -0.05 0.30 0.00 0.61 0.37 0.00 0.00 175.52 176.75 1qpq n GLY 2156N -0.82 -1.09 0.00 2.16 0.00 -0.44 -4.74 105.19 100.26 1qpq n GLY 2156Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1qpq n GLY 2156CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qpq n GLY 2157N 1.04 0.88 3.71 -0.02 0.00 -0.72 -3.28 105.19 106.79 1qpq n GLY 2157Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 1qpq n GLY 2157CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qpq n GLY 2158N -1.15 0.70 3.08 -0.02 0.00 -0.30 -4.80 105.19 102.70 1qpq n GLY 2158Ca 0.00 -2.03 -0.24 0.00 0.00 0.00 0.00 46.02 43.75 1qpq n GLY 2158CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qpq s VAL 2159N -2.92 1.17 0.42 1.61 -7.23 0.78 -4.17 120.40 110.06 1qpq s VAL 2159Ca 0.63 -0.58 -0.24 0.00 -1.81 0.00 0.00 61.98 59.98 1qpq s VAL 2159Cb -0.04 -1.02 -0.08 0.00 0.56 0.00 0.00 36.38 35.81 1qpq s VAL 2159CO 0.42 0.35 1.17 0.20 -0.31 0.00 0.00 175.10 176.93 1qpq s ASN 2160N 0.07 6.39 0.00 4.85 0.01 -1.26 -3.11 114.94 121.88 1qpq s ASN 2160Ca -0.03 2.35 0.00 0.00 -0.71 0.00 0.00 52.86 54.47 1qpq s ASN 2160Cb -0.10 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 38.95 1qpq s ASN 2160CO 0.01 -0.77 0.00 1.57 -1.51 0.00 0.00 177.10 176.40 1qpq n HIS 2161N -0.12 0.00 -2.21 2.20 -0.00 -1.26 -4.86 115.22 108.97 1qpq n HIS 2161Ca 0.05 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.90 1qpq n HIS 2161Cb 0.47 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.34 1qpq n HIS 2161CO 0.00 0.00 0.00 -0.98 0.46 0.00 0.00 176.34 175.82 1qpq s ARG 2162N 2.63 3.40 0.21 1.57 1.70 -1.26 -4.95 118.95 122.24 1qpq s ARG 2162Ca 0.00 1.39 0.22 0.00 -0.47 0.00 0.00 55.73 56.87 1qpq s ARG 2162Cb 0.00 -2.03 0.02 0.00 -0.57 0.00 0.00 34.95 32.36 1qpq s ARG 2162CO 0.00 -0.77 1.08 -0.07 -1.08 0.00 0.00 175.30 174.45 1qpq h LEU 2163N 0.92 0.00 0.00 -1.89 3.38 -1.95 -3.45 115.31 112.32 1qpq h LEU 2163Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1qpq h LEU 2163Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1qpq h LEU 2163CO 0.57 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.79 1qpq n GLY 2164N 1.20 3.16 0.07 0.83 0.00 -1.26 -5.05 105.19 104.14 1qpq n GLY 2164Ca -0.01 -0.91 -0.09 0.00 0.00 0.00 0.00 46.02 45.02 1qpq n GLY 2164CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qpq h LEU 2165N 0.00 0.09 0.00 0.99 4.07 -1.95 -3.34 115.31 115.17 1qpq h LEU 2165Ca 0.00 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.86 1qpq h LEU 2165Cb 0.00 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.71 1qpq h LEU 2165CO 0.00 1.08 -0.85 0.61 -1.08 0.00 0.00 178.44 178.20 1qpq n GLY 2166N 1.41 -1.22 0.18 0.83 0.00 -1.26 -4.35 105.19 100.78 1qpq n GLY 2166Ca -0.04 -0.39 -0.04 0.00 0.00 0.00 0.00 46.02 45.56 1qpq n GLY 2166CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1qpq h ASP 2167N 0.00 0.01 -4.90 1.61 1.82 -1.97 -3.46 116.42 109.53 1qpq h ASP 2167Ca 0.00 0.08 0.04 0.00 -0.39 0.00 0.00 57.03 56.75 1qpq h ASP 2167Cb 0.65 0.10 -0.12 0.00 0.68 0.00 0.00 39.33 40.64 1qpq h ASP 2167CO 0.00 0.04 0.31 0.00 -1.61 0.00 0.00 179.24 177.98 1qpq s ALA 2168N -6.15 -1.65 0.15 -0.78 0.00 -1.26 -4.83 121.76 107.24 1qpq s ALA 2168Ca -0.13 0.59 -0.06 0.00 0.00 0.00 0.00 51.96 52.36 1qpq s ALA 2168Cb 0.14 0.72 -0.06 0.00 0.00 0.00 0.00 23.12 23.93 1qpq s ALA 2168CO 0.72 -0.77 0.41 0.00 0.00 0.00 0.00 175.76 176.12 1qpq s ALA 2169N -3.54 3.74 -0.27 0.00 0.00 0.59 -4.82 121.76 117.46 1qpq s ALA 2169Ca 0.03 -0.48 -0.01 0.00 0.00 0.00 0.00 51.96 51.50 1qpq s ALA 2169Cb -0.01 -2.20 0.14 0.00 0.00 0.00 0.00 23.12 21.04 1qpq s ALA 2169CO -0.10 0.63 0.33 -1.17 0.00 0.00 0.00 175.76 175.45 1qpq s LEU 2170N -2.57 -0.44 -0.30 0.00 0.20 -1.25 -2.10 118.68 112.22 1qpq s LEU 2170Ca 0.41 -0.38 -0.29 0.00 0.69 0.00 0.00 54.13 54.56 1qpq s LEU 2170Cb -0.12 0.77 0.01 0.00 -0.43 0.00 0.00 46.19 46.41 1qpq s LEU 2170CO 0.23 -0.35 1.21 -0.63 -0.29 0.00 0.00 176.35 176.51 1qpq s ILE 2171N 2.44 4.29 0.53 6.68 1.01 0.55 -4.95 121.20 131.76 1qpq s ILE 2171Ca 0.10 1.48 0.09 0.00 0.00 0.00 0.00 60.65 62.32 1qpq s ILE 2171Cb -0.14 -4.25 0.06 0.00 0.01 0.00 0.00 42.46 38.13 1qpq s ILE 2171CO -0.26 -0.46 0.67 -0.54 0.00 0.00 0.00 174.94 174.35 1qpq s LYS 2172N 3.92 2.42 0.27 2.79 1.02 -1.26 -0.21 119.74 128.69 1qpq s LYS 2172Ca 0.52 -1.61 -0.03 0.00 0.02 0.00 0.00 55.97 54.87 1qpq s LYS 2172Cb -0.15 -2.58 0.38 0.00 -0.52 0.00 0.00 37.83 34.96 1qpq s LYS 2172CO 0.20 -0.67 1.91 0.38 -0.92 0.00 0.00 175.35 176.25 1qpq h ASP 2173N 0.40 1.06 0.67 2.83 2.03 -1.95 -1.87 116.42 119.60 1qpq h ASP 2173Ca -0.33 -0.01 -0.04 0.00 -0.73 0.00 0.00 57.03 55.92 1qpq h ASP 2173Cb 1.29 -0.24 -0.01 0.00 -0.83 0.00 0.00 39.33 39.54 1qpq h ASP 2173CO 0.45 0.72 -0.19 0.78 -1.03 0.00 0.00 179.24 179.97 1qpq h ASN 2174N 1.22 0.00 0.18 4.15 2.35 -1.98 -0.69 115.58 120.81 1qpq h ASN 2174Ca 0.40 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.89 1qpq h ASN 2174Cb 0.04 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.44 1qpq h ASN 2174CO -0.13 0.19 -1.18 0.45 -1.65 0.00 0.00 177.43 175.10 1qpq h HIS 2175N 0.00 0.71 -0.66 1.19 3.86 -1.78 -1.46 115.15 117.00 1qpq h HIS 2175Ca -0.00 -0.52 0.07 0.00 -1.16 0.00 0.00 60.37 58.76 1qpq h HIS 2175Cb 0.57 -0.03 -0.06 0.00 1.06 0.00 0.00 27.41 28.95 1qpq h HIS 2175CO 0.00 1.45 0.34 0.28 0.86 0.00 0.00 177.93 180.87 1qpq h VAL 2176N -0.15 0.91 0.29 2.45 2.07 -1.10 0.76 116.25 121.48 1qpq h VAL 2176Ca -0.22 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1qpq h VAL 2176Cb 1.88 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1qpq h VAL 2176CO 0.19 0.11 -0.21 0.00 0.02 0.00 0.00 177.57 177.68 1qpq h ALA 2177N 1.37 -0.48 -0.51 1.67 0.00 -1.09 0.58 119.26 120.80 1qpq h ALA 2177Ca 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1qpq h ALA 2177Cb 0.26 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1qpq h ALA 2177CO -0.22 -0.79 0.29 0.00 0.00 0.00 0.00 179.25 178.54 1qpq h ALA 2178N 0.17 0.65 0.00 0.00 0.00 -0.88 -1.83 119.26 117.37 1qpq h ALA 2178Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1qpq h ALA 2178Cb 0.43 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1qpq h ALA 2178CO 0.01 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.40 1qpq n ALA 2179N -2.27 1.95 0.00 0.00 0.00 0.26 -4.89 120.51 115.56 1qpq n ALA 2179Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1qpq n ALA 2179Cb 0.07 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.12 1qpq n ALA 2179CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qpq n GLY 2180N 0.62 2.96 3.39 0.00 0.00 0.20 -4.62 105.19 107.74 1qpq n GLY 2180Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 1qpq n GLY 2180CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qpq s SER 2181N -0.75 -0.44 0.07 1.61 0.15 -1.01 -4.89 113.70 108.44 1qpq s SER 2181Ca 0.00 0.21 -0.21 0.00 0.70 0.00 0.00 55.95 56.65 1qpq s SER 2181Cb 0.00 0.49 -0.11 0.00 -1.71 0.00 0.00 66.02 64.68 1qpq s SER 2181CO 0.00 -0.70 1.52 0.58 1.20 0.00 0.00 173.24 175.84 1qpq h VAL 2182N 2.85 1.24 -0.40 4.45 2.07 -1.92 -1.12 116.25 123.41 1qpq h VAL 2182Ca -0.30 -0.78 -0.09 0.00 0.82 0.00 0.00 66.70 66.35 1qpq h VAL 2182Cb 1.21 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 32.38 1qpq h VAL 2182CO 0.41 0.23 -0.12 0.58 0.02 0.00 0.00 177.57 178.70 1qpq h VAL 2183N 0.05 1.25 0.71 2.57 2.07 -1.96 -0.52 116.25 120.43 1qpq h VAL 2183Ca 0.05 -1.15 -0.04 0.00 0.82 0.00 0.00 66.70 66.38 1qpq h VAL 2183Cb 0.34 1.07 0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1qpq h VAL 2183CO 0.01 0.39 -0.34 0.44 0.02 0.00 0.00 177.57 178.08 1qpq h ASP 2184N 0.66 -0.81 -0.48 0.57 3.32 -1.85 -0.95 116.42 116.87 1qpq h ASP 2184Ca 0.11 0.02 0.09 0.00 0.02 0.00 0.00 57.03 57.28 1qpq h ASP 2184Cb 0.58 0.21 -0.08 0.00 0.22 0.00 0.00 39.33 40.26 1qpq h ASP 2184CO 0.04 -0.57 0.03 0.00 -1.72 0.00 0.00 179.24 177.01 1qpq h ALA 2185N -0.68 0.48 -0.11 3.45 0.00 -1.12 -0.06 119.26 121.23 1qpq h ALA 2185Ca -0.10 0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1qpq h ALA 2185Cb 0.74 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1qpq h ALA 2185CO 0.16 -0.37 -0.12 1.25 0.00 0.00 0.00 179.25 180.18 1qpq h LEU 2186N 0.15 -0.37 -0.20 0.00 6.46 -0.96 -1.20 115.31 119.18 1qpq h LEU 2186Ca 0.24 0.07 0.03 0.00 -0.12 0.00 0.00 57.88 58.11 1qpq h LEU 2186Cb 0.36 0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.44 1qpq h LEU 2186CO -0.38 -0.16 -0.00 0.03 -0.62 0.00 0.00 178.44 177.31 1qpq h ARG 2187N -0.15 0.06 -0.78 1.25 2.47 -0.53 -0.76 114.38 115.94 1qpq h ARG 2187Ca 0.08 -0.00 0.14 0.00 -1.26 0.00 0.00 59.98 58.94 1qpq h ARG 2187Cb 0.27 -0.01 -0.09 0.00 -1.65 0.00 0.00 29.97 28.48 1qpq h ARG 2187CO -0.20 0.04 0.35 0.00 0.56 0.00 0.00 179.97 180.72 1qpq h ALA 2188N 1.17 1.13 -0.08 0.04 0.00 -0.36 0.65 119.26 121.81 1qpq h ALA 2188Ca 0.09 0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.92 1qpq h ALA 2188Cb 0.12 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1qpq h ALA 2188CO -0.16 -0.15 -0.71 0.28 0.00 0.00 0.00 179.25 178.51 1qpq h VAL 2189N 0.52 1.38 -0.81 0.00 2.07 -0.88 -1.62 116.25 116.92 1qpq h VAL 2189Ca 0.43 -2.12 -0.03 0.00 0.82 0.00 0.00 66.70 65.80 1qpq h VAL 2189Cb 0.61 2.09 -0.04 0.00 -1.52 0.00 0.00 31.29 32.44 1qpq h VAL 2189CO -0.38 0.64 0.40 0.03 0.02 0.00 0.00 177.57 178.28 1qpq h ARG 2190N 0.26 1.16 -0.18 1.57 2.47 0.55 0.38 114.38 120.59 1qpq h ARG 2190Ca -0.03 -0.16 -0.16 0.00 -1.26 0.00 0.00 59.98 58.37 1qpq h ARG 2190Cb 1.27 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 29.37 1qpq h ARG 2190CO 0.12 0.89 -0.55 -0.91 0.56 0.00 0.00 179.97 180.08 1qpq h ASN 2191N 1.14 0.62 0.22 7.04 2.35 -0.84 -2.70 115.58 123.41 1qpq h ASN 2191Ca 0.28 -0.33 -0.33 0.00 -0.55 0.00 0.00 56.30 55.38 1qpq h ASN 2191Cb 0.10 -0.18 0.04 0.00 0.05 0.00 0.00 38.32 38.33 1qpq h ASN 2191CO -0.04 1.04 -1.41 0.00 -1.65 0.00 0.00 177.43 175.37 1qpq h ALA 2192N 0.97 -0.12 -1.96 -0.83 0.00 -0.97 -3.41 119.26 112.94 1qpq h ALA 2192Ca 0.01 -0.83 -0.55 0.00 0.00 0.00 0.00 54.91 53.54 1qpq h ALA 2192Cb 1.09 0.16 -0.39 0.00 0.00 0.00 0.00 17.79 18.65 1qpq h ALA 2192CO 0.10 0.69 -1.11 0.00 0.00 0.00 0.00 179.25 178.94 1qpq n ALA 2193N -2.71 2.32 0.23 0.00 0.00 0.10 -4.95 120.51 115.50 1qpq n ALA 2193Ca -0.16 -3.36 0.12 0.00 0.00 0.00 0.00 53.44 50.04 1qpq n ALA 2193Cb 1.07 -0.83 0.61 0.00 0.00 0.00 0.00 19.45 20.30 1qpq n ALA 2193CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1qpq h PRO 2194N 3.90 0.00 0.00 0.00 0.13 -1.62 -2.35 132.00 132.06 1qpq h PRO 2194Ca 0.07 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.03 1qpq h PRO 2194Cb 0.89 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.99 1qpq h PRO 2194CO 0.46 0.00 -1.80 -0.40 -0.23 0.00 0.00 178.00 176.03 1qpq n ASP 2195N -2.33 0.41 -4.79 1.44 5.75 -1.26 -4.98 116.55 110.79 1qpq n ASP 2195Ca -0.01 0.18 -0.35 0.00 -0.01 0.00 0.00 54.79 54.60 1qpq n ASP 2195Cb 0.08 0.87 -0.06 0.00 -1.03 0.00 0.00 41.12 40.98 1qpq n ASP 2195CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1qpq s LEU 2196N -5.36 4.13 0.31 -2.12 2.96 -0.89 -5.03 118.68 112.69 1qpq s LEU 2196Ca -0.06 1.85 -0.29 0.00 -0.22 0.00 0.00 54.13 55.41 1qpq s LEU 2196Cb 0.09 -4.26 -0.10 0.00 0.50 0.00 0.00 46.19 42.42 1qpq s LEU 2196CO 0.84 -0.32 1.35 -2.84 -1.32 0.00 0.00 176.35 174.06 1qpq s PRO 2197N -2.60 4.32 -0.07 0.98 0.02 -1.26 -4.86 135.00 131.53 1qpq s PRO 2197Ca 0.57 2.24 0.04 0.00 0.02 0.00 0.00 61.00 63.87 1qpq s PRO 2197Cb -0.16 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.27 1qpq s PRO 2197CO 0.21 -0.26 -0.18 0.00 -0.33 0.00 0.00 177.00 176.44 1qpq s GLU 2199N 0.28 1.38 -0.07 0.00 8.01 -0.89 -2.63 118.70 124.77 1qpq s GLU 2199Ca -0.11 -0.55 0.05 0.00 0.01 0.00 0.00 54.97 54.38 1qpq s GLU 2199Cb -0.15 -1.28 -0.01 0.00 -4.31 0.00 0.00 34.13 28.38 1qpq s GLU 2199CO 0.04 0.29 -0.24 0.54 0.01 0.00 0.00 175.26 175.90 1qpq s VAL 2200N -0.20 2.12 -0.17 2.63 0.11 -0.52 -0.33 120.40 124.04 1qpq s VAL 2200Ca 0.02 -1.03 -0.19 0.00 -2.93 0.00 0.00 61.98 57.86 1qpq s VAL 2200Cb -0.08 -1.78 -0.03 0.00 -1.53 0.00 0.00 36.38 32.95 1qpq s VAL 2200CO 0.00 0.57 0.54 -0.70 -3.33 0.00 0.00 175.10 172.18 1qpq s GLU 2201N 0.01 4.25 0.04 1.54 2.12 0.71 -0.79 118.70 126.59 1qpq s GLU 2201Ca -0.09 0.49 0.08 0.00 0.36 0.00 0.00 54.97 55.81 1qpq s GLU 2201Cb -0.15 -3.52 -0.03 0.00 0.26 0.00 0.00 34.13 30.69 1qpq s GLU 2201CO 0.05 -0.07 -0.23 0.14 -0.54 0.00 0.00 175.26 174.62 1qpq s VAL 2202N 1.35 1.82 -0.13 3.70 -7.23 -0.32 -4.81 120.40 114.79 1qpq s VAL 2202Ca 0.26 -1.25 0.11 0.00 -1.81 0.00 0.00 61.98 59.29 1qpq s VAL 2202Cb -0.16 -1.57 0.19 0.00 0.56 0.00 0.00 36.38 35.41 1qpq s VAL 2202CO 0.10 0.26 1.11 -0.90 -0.31 0.00 0.00 175.10 175.37 1qpq n ASP 2203N 1.84 2.35 -3.58 4.85 5.68 -1.26 -0.90 116.55 125.52 1qpq n ASP 2203Ca -0.17 -2.58 -0.11 0.00 -0.50 0.00 0.00 54.79 51.43 1qpq n ASP 2203Cb 0.53 -0.25 -0.03 0.00 -1.14 0.00 0.00 41.12 40.22 1qpq n ASP 2203CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1qpq s SER 2204N -1.95 -0.37 0.51 -1.12 1.04 -1.26 -4.94 113.70 105.61 1qpq s SER 2204Ca 0.19 -0.23 0.30 0.00 0.48 0.00 0.00 55.95 56.68 1qpq s SER 2204Cb 0.16 0.55 1.24 0.00 0.10 0.00 0.00 66.02 68.07 1qpq s SER 2204CO 0.03 -0.95 1.94 -0.07 0.98 0.00 0.00 173.24 175.17 1qpq h LEU 2205N 2.18 0.00 0.12 2.42 3.38 -1.96 -2.17 115.31 119.29 1qpq h LEU 2205Ca -0.33 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 1qpq h LEU 2205Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1qpq h LEU 2205CO 0.41 0.10 -0.06 -0.33 0.09 0.00 0.00 178.44 178.65 1qpq h GLU 2206N 0.00 -0.16 -0.90 1.13 3.07 -1.99 -0.57 114.58 115.15 1qpq h GLU 2206Ca -0.00 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.85 1qpq h GLU 2206Cb 0.57 0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.47 1qpq h GLU 2206CO 0.01 0.20 0.49 1.96 -1.40 0.00 0.00 179.01 180.27 1qpq h GLN 2207N -0.55 1.26 -0.13 2.33 4.20 -1.93 -2.23 115.11 118.06 1qpq h GLN 2207Ca -0.02 -0.15 0.04 0.00 0.06 0.00 0.00 58.65 58.58 1qpq h GLN 2207Cb 0.43 -0.24 -0.04 0.00 0.30 0.00 0.00 27.48 27.93 1qpq h GLN 2207CO 0.03 0.92 -0.11 1.25 -0.67 0.00 0.00 178.83 180.25 1qpq h LEU 2208N 1.26 -0.33 -1.03 1.46 5.85 -1.20 -0.70 115.31 120.62 1qpq h LEU 2208Ca 0.32 0.07 0.06 0.00 0.84 0.00 0.00 57.88 59.17 1qpq h LEU 2208Cb 0.04 0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.17 1qpq h LEU 2208CO -0.05 -0.14 0.64 0.44 -0.34 0.00 0.00 178.44 178.99 1qpq h ASP 2209N -0.12 1.02 -0.29 1.25 3.32 -0.68 -1.05 116.42 119.87 1qpq h ASP 2209Ca 0.09 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 1qpq h ASP 2209Cb 0.24 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1qpq h ASP 2209CO -0.20 0.66 -0.07 0.00 -1.72 0.00 0.00 179.24 177.90 1qpq h ALA 2210N 1.46 1.13 0.00 3.45 0.00 -0.70 -3.24 119.26 121.36 1qpq h ALA 2210Ca 0.43 -0.28 -0.20 0.00 0.00 0.00 0.00 54.91 54.85 1qpq h ALA 2210Cb 0.16 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1qpq h ALA 2210CO -0.17 0.55 -1.56 1.33 0.00 0.00 0.00 179.25 179.40 1qpq n VAL 2211N -4.20 1.26 -0.27 0.00 0.24 -0.37 -4.37 118.33 110.62 1qpq n VAL 2211Ca 0.01 -0.72 0.07 0.00 -2.04 0.00 0.00 64.34 61.66 1qpq n VAL 2211Cb 0.32 -0.77 0.18 0.00 -1.47 0.00 0.00 33.84 32.11 1qpq n VAL 2211CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1qpq h LEU 2212N 0.00 -0.34 -2.06 1.34 3.38 -1.23 0.44 115.31 116.84 1qpq h LEU 2212Ca -0.21 0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1qpq h LEU 2212Cb 1.71 0.36 -0.00 0.00 0.09 0.00 0.00 40.66 42.81 1qpq h LEU 2212CO 0.05 -0.20 -0.08 1.55 0.09 0.00 0.00 178.44 179.86 1qpq h PRO 2213N 0.10 0.00 0.00 1.13 0.13 -1.76 -1.25 132.00 130.34 1qpq h PRO 2213Ca 0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.58 1qpq h PRO 2213Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1qpq h PRO 2213CO -0.70 0.08 0.00 0.39 -0.23 0.00 0.00 178.00 177.54 1qpq n GLU 2214N -3.48 0.20 -3.29 0.86 -0.58 0.16 -4.96 120.64 109.55 1qpq n GLU 2214Ca -0.02 0.33 -0.16 0.00 -0.42 0.00 0.00 57.16 56.90 1qpq n GLU 2214Cb 0.21 -1.82 0.06 0.00 -0.57 0.00 0.00 31.44 29.32 1qpq n GLU 2214CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1qpq n LYS 2215N -2.19 -2.06 -1.81 3.49 5.02 -0.47 -5.02 118.16 115.12 1qpq n LYS 2215Ca 0.03 0.87 -0.31 0.00 -2.02 0.00 0.00 58.31 56.89 1qpq n LYS 2215Cb 0.30 -5.63 0.03 0.00 -0.02 0.00 0.00 35.03 29.72 1qpq n LYS 2215CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1qpq s PRO 2216N -4.47 3.15 0.09 1.97 0.04 -1.26 -4.98 135.00 129.54 1qpq s PRO 2216Ca 0.43 0.68 -0.25 0.00 0.04 0.00 0.00 61.00 61.90 1qpq s PRO 2216Cb -0.07 -2.04 -0.14 0.00 0.04 0.00 0.00 34.50 32.30 1qpq s PRO 2216CO 0.76 -0.87 1.71 0.93 0.04 0.00 0.00 177.00 179.56 1qpq h GLU 2217N -0.54 -0.19 -3.92 4.56 3.07 -1.91 -3.41 114.58 112.24 1qpq h GLU 2217Ca -0.44 0.01 -0.18 0.00 -0.50 0.00 0.00 59.36 58.25 1qpq h GLU 2217Cb 1.22 0.04 -0.22 0.00 -0.84 0.00 0.00 28.75 28.95 1qpq h GLU 2217CO 0.62 -0.12 -0.70 -0.51 -1.40 0.00 0.00 179.01 176.89 1qpq s LEU 2218N -10.19 2.18 -0.06 1.33 1.43 -1.08 -1.55 118.68 110.74 1qpq s LEU 2218Ca -0.14 -0.40 0.05 0.00 -1.03 0.00 0.00 54.13 52.62 1qpq s LEU 2218Cb 0.06 0.09 -0.01 0.00 0.03 0.00 0.00 46.19 46.36 1qpq s LEU 2218CO 0.65 -0.24 -0.22 -0.63 0.23 0.00 0.00 176.35 176.15 1qpq s ILE 2219N -1.17 1.79 -0.30 -0.59 1.01 0.50 -1.44 121.20 121.00 1qpq s ILE 2219Ca -0.13 -0.91 -0.08 0.00 0.00 0.00 0.00 60.65 59.54 1qpq s ILE 2219Cb -0.08 -1.52 0.01 0.00 0.01 0.00 0.00 42.46 40.87 1qpq s ILE 2219CO -0.01 0.50 0.10 -0.22 0.00 0.00 0.00 174.94 175.32 1qpq s LEU 2220N -0.02 3.95 -0.66 2.97 0.20 0.03 -0.84 118.68 124.32 1qpq s LEU 2220Ca -0.05 -0.69 -0.25 0.00 0.69 0.00 0.00 54.13 53.83 1qpq s LEU 2220Cb -0.13 -1.91 0.05 0.00 -0.43 0.00 0.00 46.19 43.76 1qpq s LEU 2220CO 0.04 -0.20 1.07 -0.76 -0.29 0.00 0.00 176.35 176.20 1qpq s LEU 2221N 1.52 3.89 -0.46 -0.68 1.43 -0.21 -1.17 118.68 122.99 1qpq s LEU 2221Ca 0.03 -0.62 -0.26 0.00 -1.03 0.00 0.00 54.13 52.25 1qpq s LEU 2221Cb -0.17 -2.60 0.03 0.00 0.03 0.00 0.00 46.19 43.48 1qpq s LEU 2221CO 0.03 -1.53 0.96 -0.62 0.23 0.00 0.00 176.35 175.43 1qpq s ASP 2222N 3.48 6.52 -1.29 2.29 2.15 -0.08 -2.16 116.67 127.58 1qpq s ASP 2222Ca 0.29 0.17 -0.02 0.00 0.43 0.00 0.00 52.55 53.42 1qpq s ASP 2222Cb -0.13 -2.47 0.01 0.00 -0.30 0.00 0.00 42.92 40.04 1qpq s ASP 2222CO 0.14 -1.08 0.87 0.59 -0.17 0.00 0.00 175.17 175.52 1qpq n ASN 2223N 7.27 -2.18 -4.83 -0.34 3.02 0.24 -4.58 115.26 113.86 1qpq n ASN 2223Ca 0.07 -0.72 -0.36 0.00 -0.03 0.00 0.00 54.58 53.54 1qpq n ASN 2223Cb 0.49 -4.52 -0.06 0.00 -0.61 0.00 0.00 39.78 35.08 1qpq n ASN 2223CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1qpq s PHE 2224N -3.50 3.67 0.84 3.10 0.40 -1.26 -4.88 117.98 116.35 1qpq s PHE 2224Ca 0.10 1.20 -0.11 0.00 -0.60 0.00 0.00 56.93 57.52 1qpq s PHE 2224Cb -0.05 -2.47 0.09 0.00 0.51 0.00 0.00 43.02 41.11 1qpq s PHE 2224CO 0.78 0.44 1.09 0.00 0.70 0.00 0.00 175.22 178.23 1qpq s ALA 2225N -1.39 1.90 0.29 5.36 0.00 -1.26 -4.80 121.76 121.87 1qpq s ALA 2225Ca 0.37 -0.02 -0.02 0.00 0.00 0.00 0.00 51.96 52.29 1qpq s ALA 2225Cb -0.17 -3.19 0.42 0.00 0.00 0.00 0.00 23.12 20.18 1qpq s ALA 2225CO 0.20 -2.04 1.95 0.28 0.00 0.00 0.00 175.76 176.15 1qpq h VAL 2226N -1.32 1.22 -0.23 0.00 2.07 -1.97 -1.40 116.25 114.61 1qpq h VAL 2226Ca -0.47 -0.43 -0.06 0.00 0.82 0.00 0.00 66.70 66.56 1qpq h VAL 2226Cb 1.27 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1qpq h VAL 2226CO 0.55 0.22 -0.10 4.11 0.02 0.00 0.00 177.57 182.37 1qpq h TRP 2227N 1.12 0.40 0.00 1.57 5.08 -1.99 -1.25 115.95 120.88 1qpq h TRP 2227Ca 0.30 -0.05 -0.18 0.00 1.08 0.00 0.00 58.89 60.04 1qpq h TRP 2227Cb -0.10 -0.11 -0.02 0.00 -3.00 0.00 0.00 29.16 25.93 1qpq h TRP 2227CO 0.00 0.48 -0.83 1.96 -1.28 0.00 0.00 178.44 178.77 1qpq h GLN 2228N 0.36 0.07 -0.45 0.12 4.20 -1.76 -2.14 115.11 115.51 1qpq h GLN 2228Ca 0.07 -0.08 -0.14 0.00 0.06 0.00 0.00 58.65 58.56 1qpq h GLN 2228Cb 0.40 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 1qpq h GLN 2228CO 0.02 0.86 -0.26 1.15 -0.67 0.00 0.00 178.83 179.93 1qpq h THR 2229N 0.04 1.27 -0.44 -0.54 2.02 -0.59 -1.12 112.91 113.55 1qpq h THR 2229Ca -0.02 -1.42 -0.01 0.00 0.77 0.00 0.00 66.41 65.72 1qpq h THR 2229Cb 1.45 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 69.03 1qpq h THR 2229CO 0.12 0.49 0.22 -0.61 0.37 0.00 0.00 175.52 176.10 1qpq h GLN 2230N 0.82 0.63 0.30 6.66 5.75 -1.08 -0.36 115.11 127.83 1qpq h GLN 2230Ca 0.10 -0.09 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1qpq h GLN 2230Cb 0.83 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.27 1qpq h GLN 2230CO 0.07 0.53 -0.14 1.15 -2.65 0.00 0.00 178.83 177.79 1qpq h THR 2231N 0.57 0.71 -0.81 2.39 2.02 -1.28 -0.88 112.91 115.62 1qpq h THR 2231Ca 0.15 -0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.51 1qpq h THR 2231Cb 0.10 0.71 -0.11 0.00 -1.74 0.00 0.00 68.15 67.11 1qpq h THR 2231CO -0.02 0.00 0.28 0.00 0.37 0.00 0.00 175.52 176.15 1qpq h ALA 2232N 0.30 1.17 -0.44 6.16 0.00 -0.94 0.33 119.26 125.84 1qpq h ALA 2232Ca -0.04 0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1qpq h ALA 2232Cb 0.31 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1qpq h ALA 2232CO 0.07 -0.32 -0.10 0.28 0.00 0.00 0.00 179.25 179.18 1qpq h VAL 2233N 0.35 1.26 -0.38 0.00 2.07 -0.74 -0.74 116.25 118.07 1qpq h VAL 2233Ca 0.48 -1.17 -0.10 0.00 0.82 0.00 0.00 66.70 66.73 1qpq h VAL 2233Cb 0.84 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1qpq h VAL 2233CO -0.51 0.40 -0.16 1.56 0.02 0.00 0.00 177.57 178.89 1qpq h GLN 2234N 0.72 0.77 -0.51 1.57 4.20 0.90 -1.31 115.11 121.45 1qpq h GLN 2234Ca 0.12 -0.33 -0.12 0.00 0.06 0.00 0.00 58.65 58.38 1qpq h GLN 2234Cb 0.59 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 1qpq h GLN 2234CO 0.04 0.94 -0.16 0.00 -0.67 0.00 0.00 178.83 178.98 1qpq h ARG 2235N 0.57 1.01 -0.46 1.46 3.08 -0.38 -2.20 114.38 117.45 1qpq h ARG 2235Ca 0.09 -0.40 -0.04 0.00 0.07 0.00 0.00 59.98 59.70 1qpq h ARG 2235Cb 0.70 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 1qpq h ARG 2235CO 0.05 1.08 0.15 -0.09 -1.07 0.00 0.00 179.97 180.09 1qpq h ARG 2236N 0.89 0.72 -0.17 0.04 1.12 -1.05 -0.23 114.38 115.69 1qpq h ARG 2236Ca 0.13 -0.15 -0.01 0.00 -1.11 0.00 0.00 59.98 58.84 1qpq h ARG 2236Cb 0.73 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.58 1qpq h ARG 2236CO 0.06 0.68 0.07 -0.44 -3.11 0.00 0.00 179.97 177.23 1qpq h ASP 2237N 0.61 0.21 0.42 -3.80 3.32 -1.06 0.14 116.42 116.26 1qpq h ASP 2237Ca 0.15 -0.01 -0.26 0.00 0.02 0.00 0.00 57.03 56.92 1qpq h ASP 2237Cb 0.26 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.71 1qpq h ASP 2237CO -0.01 0.20 -1.79 -1.54 -1.72 0.00 0.00 179.24 174.38 1qpq n SER 2238N -4.46 0.65 -0.05 6.45 3.41 -0.84 -4.45 113.62 114.32 1qpq n SER 2238Ca -0.00 0.30 -0.04 0.00 -0.26 0.00 0.00 58.87 58.87 1qpq n SER 2238Cb 0.12 0.30 -0.10 0.00 -0.26 0.00 0.00 64.21 64.27 1qpq n SER 2238CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1qpq n ARG 2239N -2.91 1.78 -2.91 4.33 1.74 -0.12 -4.88 116.66 113.68 1qpq n ARG 2239Ca -0.18 -0.02 -0.13 0.00 -0.77 0.00 0.00 57.85 56.74 1qpq n ARG 2239Cb 1.00 -1.31 0.00 0.00 -1.02 0.00 0.00 32.46 31.13 1qpq n ARG 2239CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qpq n ALA 2240N -2.38 -0.09 0.05 7.54 0.00 0.45 -4.95 120.51 121.12 1qpq n ALA 2240Ca -0.17 -2.07 0.21 0.00 0.00 0.00 0.00 53.44 51.41 1qpq n ALA 2240Cb 0.82 -1.16 0.64 0.00 0.00 0.00 0.00 19.45 19.75 1qpq n ALA 2240CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1qpq h PRO 2241N 4.12 0.00 0.00 0.00 0.11 -1.65 -0.39 132.00 134.19 1qpq h PRO 2241Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1qpq h PRO 2241Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1qpq h PRO 2241CO 0.35 0.00 -0.23 1.79 -0.21 0.00 0.00 178.00 179.70 1qpq h THR 2242N 0.00 0.00 -3.49 -1.15 1.35 -1.94 -3.46 112.91 104.23 1qpq h THR 2242Ca 0.25 -0.63 -0.53 0.00 -0.55 0.00 0.00 66.41 64.95 1qpq h THR 2242Cb 1.58 1.49 -0.02 0.00 -1.73 0.00 0.00 68.15 69.47 1qpq h THR 2242CO -0.00 0.00 0.38 -0.69 -0.25 0.00 0.00 175.52 174.96 1qpq s VAL 2243N -3.16 4.57 0.07 6.82 1.01 -0.16 -4.93 120.40 124.62 1qpq s VAL 2243Ca 0.08 2.00 -0.09 0.00 0.00 0.00 0.00 61.98 63.98 1qpq s VAL 2243Cb 0.11 -4.28 -0.06 0.00 0.00 0.00 0.00 36.38 32.15 1qpq s VAL 2243CO 0.66 0.24 0.37 -0.04 0.00 0.00 0.00 175.10 176.33 1qpq s MET 2244N 0.42 3.71 0.01 2.72 -1.94 -0.60 -4.98 119.30 118.65 1qpq s MET 2244Ca 0.50 0.10 0.04 0.00 -1.71 0.00 0.00 55.69 54.62 1qpq s MET 2244Cb -0.23 -3.00 -0.03 0.00 2.01 0.00 0.00 34.83 33.58 1qpq s MET 2244CO 0.29 0.57 -0.10 -0.51 -0.01 0.00 0.00 175.02 175.26 1qpq s LEU 2245N -1.96 3.00 -0.06 -0.03 1.02 -1.26 -0.37 118.68 119.01 1qpq s LEU 2245Ca 0.33 -0.22 -0.03 0.00 0.02 0.00 0.00 54.13 54.23 1qpq s LEU 2245Cb -0.14 -1.73 0.04 0.00 0.02 0.00 0.00 46.19 44.39 1qpq s LEU 2245CO 0.18 0.28 0.13 -0.70 0.02 0.00 0.00 176.35 176.26 1qpq s GLU 2246N -1.40 0.02 0.06 1.70 2.12 -0.02 -1.80 118.70 119.39 1qpq s GLU 2246Ca 0.16 0.44 -0.24 0.00 0.36 0.00 0.00 54.97 55.69 1qpq s GLU 2246Cb -0.11 -0.28 -0.06 0.00 0.26 0.00 0.00 34.13 33.94 1qpq s GLU 2246CO 0.07 -0.26 0.74 -1.12 -0.54 0.00 0.00 175.26 174.15 1qpq s SER 2247N 1.83 7.21 -0.08 -1.70 0.01 -0.80 -1.05 113.70 119.13 1qpq s SER 2247Ca -0.01 1.45 -0.10 0.00 1.31 0.00 0.00 55.95 58.59 1qpq s SER 2247Cb -0.12 -2.46 0.02 0.00 0.21 0.00 0.00 66.02 63.68 1qpq s SER 2247CO -0.05 0.08 0.27 -0.55 0.41 0.00 0.00 173.24 173.39 1qpq s SER 2248N -0.34 -0.24 0.00 2.44 0.15 -0.92 -0.16 113.70 114.62 1qpq s SER 2248Ca 0.37 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.43 1qpq s SER 2248Cb -0.21 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 1qpq s SER 2248CO 0.23 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.10 1qpq n GLY 2249N 2.54 0.69 2.28 9.45 0.00 -1.26 -0.59 105.19 118.30 1qpq n GLY 2249Ca -0.15 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 44.82 1qpq n GLY 2249CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qpq n GLY 2250N 0.00 4.13 3.74 -0.02 0.00 -1.26 -4.90 105.19 106.88 1qpq n GLY 2250Ca 0.00 -1.53 -0.36 0.00 0.00 0.00 0.00 46.02 44.13 1qpq n GLY 2250CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qpq s LEU 2251N -0.26 4.24 0.08 0.99 1.02 -1.26 -5.04 118.68 118.45 1qpq s LEU 2251Ca 0.67 0.36 0.04 0.00 0.02 0.00 0.00 54.13 55.22 1qpq s LEU 2251Cb 0.22 -2.20 -0.03 0.00 0.02 0.00 0.00 46.19 44.19 1qpq s LEU 2251CO -0.06 0.17 -0.11 -0.94 0.02 0.00 0.00 176.35 175.43 1qpq s SER 2252N 0.29 1.39 0.53 2.29 1.04 -1.26 -5.03 113.70 112.95 1qpq s SER 2252Ca 0.12 -0.71 0.22 0.00 0.48 0.00 0.00 55.95 56.05 1qpq s SER 2252Cb -0.12 0.00 1.37 0.00 0.10 0.00 0.00 66.02 67.37 1qpq s SER 2252CO 0.01 -0.21 2.06 0.25 0.98 0.00 0.00 173.24 176.34 1qpq h LEU 2253N 3.92 0.00 -0.71 2.42 5.85 -1.99 0.14 115.31 124.94 1qpq h LEU 2253Ca -0.38 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.24 1qpq h LEU 2253Cb 1.19 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1qpq h LEU 2253CO 0.47 0.00 -0.47 1.56 -0.34 0.00 0.00 178.44 179.66 1qpq h GLN 2254N 0.00 0.00 -0.00 1.25 1.08 -2.02 -3.19 115.11 112.23 1qpq h GLN 2254Ca 0.14 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 1qpq h GLN 2254Cb 0.58 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 1qpq h GLN 2254CO -0.00 0.47 -0.80 0.25 -0.95 0.00 0.00 178.83 177.80 1qpq n THR 2255N -3.51 0.00 -0.24 -0.54 -2.24 -0.24 -4.62 114.28 102.89 1qpq n THR 2255Ca -0.00 -0.10 0.01 0.00 -2.27 0.00 0.00 64.05 61.69 1qpq n THR 2255Cb 0.59 1.05 0.09 0.00 -2.10 0.00 0.00 70.33 69.96 1qpq n THR 2255CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qpq h ALA 2256N 2.92 0.52 -0.07 6.98 0.00 -0.78 -1.60 119.26 127.22 1qpq h ALA 2256Ca 0.00 0.26 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 1qpq h ALA 2256Cb 0.51 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1qpq h ALA 2256CO 0.00 -0.42 -0.30 0.00 0.00 0.00 0.00 179.25 178.53 1qpq h ALA 2257N 1.69 1.37 -0.57 0.00 0.00 -1.81 -0.71 119.26 119.23 1qpq h ALA 2257Ca 0.34 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1qpq h ALA 2257Cb 0.54 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1qpq h ALA 2257CO -0.70 0.45 0.20 1.15 0.00 0.00 0.00 179.25 180.35 1qpq h THR 2258N 0.11 1.23 0.00 0.00 2.02 -1.61 0.45 112.91 115.12 1qpq h THR 2258Ca 0.02 -0.75 -0.00 0.00 0.77 0.00 0.00 66.41 66.44 1qpq h THR 2258Cb 0.59 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1qpq h THR 2258CO 0.04 0.29 -0.00 1.88 0.37 0.00 0.00 175.52 178.10 1qpq h TYR 2259N 0.79 -0.01 -0.97 3.16 -1.99 -1.15 -3.13 116.97 113.68 1qpq h TYR 2259Ca 0.19 -0.00 0.16 0.00 2.00 0.00 0.00 58.73 61.08 1qpq h TYR 2259Cb 0.24 0.00 -0.09 0.00 2.00 0.00 0.00 36.73 38.89 1qpq h TYR 2259CO 0.01 0.46 0.61 0.00 -0.00 0.00 0.00 178.16 179.24 1qpq h ALA 2260N 0.52 1.73 0.00 3.88 0.00 -0.92 0.23 119.26 124.71 1qpq h ALA 2260Ca -0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1qpq h ALA 2260Cb 0.46 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1qpq h ALA 2260CO 0.00 -0.03 -0.05 0.93 0.00 0.00 0.00 179.25 180.10 1qpq h GLU 2261N 0.77 0.00 0.00 0.00 5.08 -0.85 -1.07 114.58 118.50 1qpq h GLU 2261Ca 0.52 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.86 1qpq h GLU 2261Cb 0.78 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 1qpq h GLU 2261CO -0.29 0.05 -0.06 1.79 -1.00 0.00 0.00 179.01 179.50 1qpq h THR 2262N 0.00 0.51 0.00 1.13 1.35 -0.93 -3.46 112.91 111.51 1qpq h THR 2262Ca -0.00 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1qpq h THR 2262Cb 0.13 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 1qpq h THR 2262CO 0.01 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 175.95 1qpq n GLY 2263N -0.96 0.82 3.55 5.82 0.00 -0.41 -4.85 105.19 109.16 1qpq n GLY 2263Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1qpq n GLY 2263CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1qpq n VAL 2264N -0.77 1.51 0.03 1.61 0.24 -1.25 -4.95 118.33 114.75 1qpq n VAL 2264Ca 0.00 -0.27 -0.07 0.00 -2.04 0.00 0.00 64.34 61.96 1qpq n VAL 2264Cb 0.00 -0.91 -0.12 0.00 -1.47 0.00 0.00 33.84 31.34 1qpq n VAL 2264CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1qpq h ASP 2265N -0.85 0.00 -5.24 -1.34 3.32 -1.71 -3.36 116.42 107.24 1qpq h ASP 2265Ca -0.45 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.49 1qpq h ASP 2265Cb 1.31 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.73 1qpq h ASP 2265CO 0.42 0.94 -0.42 -0.31 -1.72 0.00 0.00 179.24 178.15 1qpq s TYR 2266N -2.69 0.37 -0.15 4.55 2.02 -1.10 -2.09 117.35 118.26 1qpq s TYR 2266Ca -0.02 -0.78 -0.01 0.00 -0.37 0.00 0.00 57.07 55.90 1qpq s TYR 2266Cb 0.09 -0.15 0.04 0.00 -0.40 0.00 0.00 41.96 41.54 1qpq s TYR 2266CO 0.82 -0.59 -0.04 -0.51 -1.57 0.00 0.00 175.55 173.66 1qpq s LEU 2267N -2.93 1.35 -0.36 -1.29 1.02 -0.19 -1.90 118.68 114.39 1qpq s LEU 2267Ca 0.12 -0.54 -0.20 0.00 0.02 0.00 0.00 54.13 53.53 1qpq s LEU 2267Cb 0.05 -0.80 0.00 0.00 0.02 0.00 0.00 46.19 45.46 1qpq s LEU 2267CO -0.05 -0.19 0.59 0.00 0.02 0.00 0.00 176.35 176.72 1qpq s ALA 2268N 1.72 3.46 -0.37 4.21 0.00 0.77 -0.25 121.76 131.30 1qpq s ALA 2268Ca 0.02 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 51.03 1qpq s ALA 2268Cb -0.15 -3.12 0.09 0.00 0.00 0.00 0.00 23.12 19.94 1qpq s ALA 2268CO -0.07 -1.31 0.13 0.08 0.00 0.00 0.00 175.76 174.59 1qpq s VAL 2269N 2.59 3.17 0.27 0.00 1.01 -0.06 -4.50 120.40 122.89 1qpq s VAL 2269Ca 0.22 -1.84 0.00 0.00 0.00 0.00 0.00 61.98 60.36 1qpq s VAL 2269Cb -0.15 -3.07 0.10 0.00 0.00 0.00 0.00 36.38 33.26 1qpq s VAL 2269CO 0.14 -0.50 1.75 1.23 0.00 0.00 0.00 175.10 177.73 1qpq h GLY 2270N 8.02 0.71 1.58 4.51 0.00 -1.91 -2.92 103.07 113.05 1qpq h GLY 2270Ca -0.15 -0.51 0.02 0.00 0.00 0.00 0.00 47.33 46.69 1qpq h GLY 2270CO 0.64 0.47 0.19 0.00 0.00 0.00 0.00 176.54 177.83 1qpq h ALA 2271N 1.29 1.43 -0.68 3.60 0.00 -1.93 -1.05 119.26 121.92 1qpq h ALA 2271Ca 0.11 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.12 1qpq h ALA 2271Cb 0.53 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1qpq h ALA 2271CO 0.03 -0.23 0.45 -0.07 0.00 0.00 0.00 179.25 179.43 1qpq h LEU 2272N 0.00 0.47 0.00 0.00 4.07 -1.82 -3.33 115.31 114.69 1qpq h LEU 2272Ca 0.04 0.01 -0.15 0.00 0.08 0.00 0.00 57.88 57.86 1qpq h LEU 2272Cb 0.42 -0.09 -0.03 0.00 1.08 0.00 0.00 40.66 42.04 1qpq h LEU 2272CO -0.00 0.28 -1.56 0.35 -1.08 0.00 0.00 178.44 176.43 1qpq n THR 2273N -4.48 0.56 -3.30 0.22 -2.24 -0.45 -4.76 114.28 99.83 1qpq n THR 2273Ca 0.11 -0.30 -0.23 0.00 -2.27 0.00 0.00 64.05 61.37 1qpq n THR 2273Cb 0.37 -0.81 -0.00 0.00 -2.10 0.00 0.00 70.33 67.78 1qpq n THR 2273CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1qpq s HIS 2274N -2.20 3.35 -1.23 4.78 -3.43 -0.88 -4.53 115.29 111.15 1qpq s HIS 2274Ca -0.07 0.21 -0.01 0.00 -0.80 0.00 0.00 55.06 54.39 1qpq s HIS 2274Cb 0.03 -2.03 -0.00 0.00 -1.43 0.00 0.00 32.58 29.15 1qpq s HIS 2274CO 0.29 -0.04 0.88 0.43 -2.00 0.00 0.00 174.74 174.31 1qpq n SER 2275N -1.84 -1.93 -4.75 7.38 7.64 -1.26 -4.35 113.62 114.51 1qpq n SER 2275Ca -0.02 -0.71 -0.34 0.00 1.01 0.00 0.00 58.87 58.81 1qpq n SER 2275Cb 0.57 -4.70 -0.08 0.00 -1.01 0.00 0.00 64.21 58.99 1qpq n SER 2275CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1qpq s VAL 2276N -3.48 4.63 -0.24 0.44 -7.23 -1.26 -4.80 120.40 108.46 1qpq s VAL 2276Ca 0.03 -0.34 -0.07 0.00 -1.81 0.00 0.00 61.98 59.79 1qpq s VAL 2276Cb -0.00 -3.06 -0.03 0.00 0.56 0.00 0.00 36.38 33.85 1qpq s VAL 2276CO 0.76 0.44 0.05 -0.60 -0.31 0.00 0.00 175.10 175.44 1qpq s ARG 2277N -1.44 3.63 0.48 4.82 3.52 -1.26 -5.08 118.95 123.62 1qpq s ARG 2277Ca 0.19 -0.49 -0.24 0.00 -0.13 0.00 0.00 55.73 55.06 1qpq s ARG 2277Cb -0.12 -3.26 -0.07 0.00 -1.56 0.00 0.00 34.95 29.94 1qpq s ARG 2277CO 0.10 -0.16 1.35 1.55 -0.81 0.00 0.00 175.30 177.33 1qpq n VAL 2278N 4.80 3.14 -2.95 7.11 3.14 -1.26 -4.38 118.33 127.93 1qpq n VAL 2278Ca -0.16 -0.50 -0.41 0.00 -2.96 0.00 0.00 64.34 60.30 1qpq n VAL 2278Cb 0.51 -1.68 -0.05 0.00 -1.06 0.00 0.00 33.84 31.57 1qpq n VAL 2278CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 1qpq s LEU 2279N -2.67 4.14 -0.29 6.55 2.96 -0.55 -4.82 118.68 124.01 1qpq s LEU 2279Ca 0.65 1.04 -0.29 0.00 -0.22 0.00 0.00 54.13 55.31 1qpq s LEU 2279Cb -0.45 -3.13 -0.00 0.00 0.50 0.00 0.00 46.19 43.11 1qpq s LEU 2279CO 0.54 -0.40 1.37 -0.62 -1.32 0.00 0.00 176.35 175.93 1qpq s ASP 2280N 1.23 6.59 -0.01 3.68 2.15 -1.26 -4.52 116.67 124.53 1qpq s ASP 2280Ca 0.35 1.28 0.02 0.00 0.43 0.00 0.00 52.55 54.63 1qpq s ASP 2280Cb -0.16 -2.54 -0.00 0.00 -0.30 0.00 0.00 42.92 39.92 1qpq s ASP 2280CO 0.10 -1.13 -0.08 -0.63 -0.17 0.00 0.00 175.17 173.26 1qpq s ILE 2281N 4.60 0.63 0.26 4.11 1.01 -1.26 -0.39 121.20 130.16 1qpq s ILE 2281Ca 0.60 -0.32 0.09 0.00 0.00 0.00 0.00 60.65 61.02 1qpq s ILE 2281Cb -0.18 -0.54 -0.05 0.00 0.01 0.00 0.00 42.46 41.69 1qpq s ILE 2281CO 0.25 0.19 -0.14 -0.83 0.00 0.00 0.00 174.94 174.40 1qpq s GLY 2282N -0.05 1.77 -0.34 6.18 0.00 0.50 -4.93 107.32 110.45 1qpq s GLY 2282Ca 0.01 -1.84 -0.09 0.00 0.00 0.00 0.00 44.72 42.80 1qpq s GLY 2282CO -0.00 -1.89 0.14 -2.27 0.00 0.00 0.00 173.10 169.09 1qpq s LEU 2283N -3.45 4.35 -0.19 0.66 2.96 -1.26 -0.16 118.68 121.59 1qpq s LEU 2283Ca 0.28 -0.92 -0.05 0.00 -0.22 0.00 0.00 54.13 53.22 1qpq s LEU 2283Cb -0.01 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 1qpq s LEU 2283CO 0.12 -0.30 0.01 -1.81 -1.32 0.00 0.00 176.35 173.05 1qpq s ASP 2284N 1.51 5.01 0.00 3.68 1.01 0.16 -4.92 116.67 123.12 1qpq s ASP 2284Ca 0.01 -0.13 0.04 0.00 0.71 0.00 0.00 52.55 53.18 1qpq s ASP 2284Cb -0.19 -1.85 0.03 0.00 1.01 0.00 0.00 42.92 41.92 1qpq s ASP 2284CO 0.05 0.10 0.61 0.23 0.21 0.00 0.00 175.17 176.37