#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f5t h ASP 2003N 0.00 -0.08 0.04 4.39 3.58 -2.04 -2.23 116.42 120.07 1f5t h ASP 2003Ca 0.00 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1f5t h ASP 2003Cb 0.00 0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.13 1f5t h ASP 2003CO 0.00 -0.02 -0.02 0.18 -2.88 0.00 0.00 179.24 176.50 1f5t n LEU 2004N -5.14 0.88 0.00 2.28 4.77 -1.26 -4.92 117.00 113.61 1f5t n LEU 2004Ca -0.03 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 1f5t n LEU 2004Cb 0.10 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1f5t n LEU 2004CO 0.27 0.15 0.00 0.52 -1.33 0.00 0.00 177.39 177.00 1f5t n VAL 2005N -0.36 0.00 -3.65 4.08 0.31 -0.84 -4.36 118.33 113.51 1f5t n VAL 2005Ca 0.20 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.34 1f5t n VAL 2005Cb 0.27 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 33.03 1f5t n VAL 2005CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1f5t s ASP 2006N 0.00 1.13 -0.02 4.52 2.15 -1.26 -3.90 116.67 119.28 1f5t s ASP 2006Ca 0.00 0.09 -0.19 0.00 0.43 0.00 0.00 52.55 52.88 1f5t s ASP 2006Cb 0.00 0.05 -0.11 0.00 -0.30 0.00 0.00 42.92 42.56 1f5t s ASP 2006CO 0.00 -0.26 0.81 0.74 -0.17 0.00 0.00 175.17 176.29 1f5t h THR 2007N 6.40 0.05 -1.18 1.71 2.02 -2.00 -2.95 112.91 116.96 1f5t h THR 2007Ca -0.13 -0.52 0.41 0.00 0.77 0.00 0.00 66.41 66.94 1f5t h THR 2007Cb 1.12 0.08 -0.15 0.00 -1.74 0.00 0.00 68.15 67.46 1f5t h THR 2007CO 0.17 0.01 0.72 0.74 0.37 0.00 0.00 175.52 177.53 1f5t h THR 2008N -1.16 0.12 -0.04 3.16 2.02 -1.98 0.22 112.91 115.25 1f5t h THR 2008Ca -0.07 -0.04 -0.06 0.00 0.77 0.00 0.00 66.41 67.01 1f5t h THR 2008Cb 0.53 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1f5t h THR 2008CO 0.11 0.02 -0.21 -0.33 0.37 0.00 0.00 175.52 175.48 1f5t h GLU 2009N 0.11 0.21 0.00 6.66 5.08 -1.96 -0.74 114.58 123.94 1f5t h GLU 2009Ca 0.81 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.98 1f5t h GLU 2009Cb 2.32 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 31.60 1f5t h GLU 2009CO -0.55 0.84 -0.09 0.52 -1.00 0.00 0.00 179.01 178.73 1f5t h MET 2010N -0.36 0.00 0.05 2.33 2.86 -0.55 0.24 114.93 119.49 1f5t h MET 2010Ca -0.02 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.47 1f5t h MET 2010Cb 0.88 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.56 1f5t h MET 2010CO 0.04 0.09 -0.64 1.88 1.06 0.00 0.00 176.91 179.33 1f5t h TYR 2011N 0.00 0.56 -0.56 -0.22 0.99 -0.64 -1.74 116.97 115.36 1f5t h TYR 2011Ca -0.00 -0.34 -0.02 0.00 2.00 0.00 0.00 58.73 60.37 1f5t h TYR 2011Cb 0.33 -0.05 -0.03 0.00 1.00 0.00 0.00 36.73 37.99 1f5t h TYR 2011CO 0.00 1.19 0.26 -0.07 -0.00 0.00 0.00 178.16 179.53 1f5t h LEU 2012N -0.23 0.74 -0.42 3.88 4.07 -0.53 -1.19 115.31 121.63 1f5t h LEU 2012Ca -0.09 -0.14 -0.04 0.00 0.08 0.00 0.00 57.88 57.68 1f5t h LEU 2012Cb 1.40 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.93 1f5t h LEU 2012CO 0.12 0.67 0.10 -0.09 -1.08 0.00 0.00 178.44 178.17 1f5t h ARG 2013N 0.75 0.68 -0.87 1.13 2.43 -0.61 -1.14 114.38 116.76 1f5t h ARG 2013Ca 0.19 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1f5t h ARG 2013Cb 0.14 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 1f5t h ARG 2013CO -0.02 0.69 0.56 1.15 -1.51 0.00 0.00 179.97 180.84 1f5t h THR 2014N 0.55 1.23 0.48 0.20 2.02 -1.05 0.25 112.91 116.58 1f5t h THR 2014Ca 0.13 -0.44 -0.02 0.00 0.77 0.00 0.00 66.41 66.85 1f5t h THR 2014Cb 0.31 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.69 1f5t h THR 2014CO 0.00 0.23 -0.23 0.40 0.37 0.00 0.00 175.52 176.29 1f5t h ILE 2015N 1.19 0.44 -0.74 3.11 2.04 -0.97 -1.46 117.51 121.12 1f5t h ILE 2015Ca 0.32 -0.39 0.15 0.00 1.00 0.00 0.00 64.86 65.94 1f5t h ILE 2015Cb -0.11 0.60 -0.10 0.00 -0.74 0.00 0.00 36.82 36.46 1f5t h ILE 2015CO -0.07 0.06 0.25 0.22 0.00 0.00 0.00 178.15 178.61 1f5t h TYR 2016N -0.90 0.42 -0.45 1.37 5.03 -0.82 0.21 116.97 121.81 1f5t h TYR 2016Ca -0.07 0.04 -0.03 0.00 2.58 0.00 0.00 58.73 61.25 1f5t h TYR 2016Cb 0.59 -0.07 -0.02 0.00 1.55 0.00 0.00 36.73 38.78 1f5t h TYR 2016CO 0.00 -0.00 0.16 0.93 -1.32 0.00 0.00 178.16 177.93 1f5t h GLU 2017N 0.37 0.66 0.07 1.82 5.08 -0.41 -1.22 114.58 120.93 1f5t h GLU 2017Ca 0.42 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1f5t h GLU 2017Cb 0.67 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1f5t h GLU 2017CO -0.45 0.56 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.02 1f5t h LEU 2018N 0.65 -0.08 -1.33 1.33 3.38 0.49 -2.42 115.31 117.34 1f5t h LEU 2018Ca 0.16 -0.20 0.09 0.00 0.09 0.00 0.00 57.88 58.02 1f5t h LEU 2018Cb 0.17 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1f5t h LEU 2018CO -0.01 0.15 0.52 -0.33 0.09 0.00 0.00 178.44 178.86 1f5t h GLU 2019N -0.31 0.74 -0.88 1.13 5.08 -1.00 -1.18 114.58 118.16 1f5t h GLU 2019Ca -0.01 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1f5t h GLU 2019Cb 0.27 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 1f5t h GLU 2019CO 0.02 0.49 0.50 1.49 -1.00 0.00 0.00 179.01 180.51 1f5t h GLU 2020N 0.76 1.21 -0.25 2.33 4.81 -0.95 -2.55 114.58 119.93 1f5t h GLU 2020Ca 0.37 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1f5t h GLU 2020Cb 0.41 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1f5t h GLU 2020CO -0.14 0.87 0.00 -0.85 -0.73 0.00 0.00 179.01 178.16 1f5t n GLU 2021N -4.38 1.83 0.00 1.92 0.28 -0.50 -4.94 120.64 114.84 1f5t n GLU 2021Ca 0.09 -1.26 0.00 0.00 -0.16 0.00 0.00 57.16 55.83 1f5t n GLU 2021Cb 0.08 -1.37 0.00 0.00 1.43 0.00 0.00 31.44 31.58 1f5t n GLU 2021CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1f5t n GLY 2022N 1.15 2.70 3.58 -1.84 0.00 -0.86 -5.04 105.19 104.89 1f5t n GLY 2022Ca 0.15 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 1f5t n GLY 2022CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1f5t n VAL 2023N 0.00 2.26 -2.18 1.61 0.31 -1.17 -4.90 118.33 114.26 1f5t n VAL 2023Ca 0.00 -0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 63.41 1f5t n VAL 2023Cb 0.00 -1.04 -0.03 0.00 -0.91 0.00 0.00 33.84 31.86 1f5t n VAL 2023CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1f5t s THR 2024N -1.25 3.65 -0.70 2.52 2.01 -1.26 -4.19 115.64 116.41 1f5t s THR 2024Ca 0.62 1.02 -0.26 0.00 0.31 0.00 0.00 61.69 63.38 1f5t s THR 2024Cb -0.59 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 1f5t s THR 2024CO 0.58 -0.01 1.99 -2.16 -0.69 0.00 0.00 174.62 174.33 1f5t s PRO 2025N 2.56 2.46 0.04 4.92 0.04 -1.26 -4.94 135.00 138.83 1f5t s PRO 2025Ca 0.65 0.41 0.08 0.00 0.04 0.00 0.00 61.00 62.19 1f5t s PRO 2025Cb -0.32 -4.65 -0.03 0.00 0.04 0.00 0.00 34.50 29.54 1f5t s PRO 2025CO 0.27 -3.13 -0.23 -1.17 0.04 0.00 0.00 177.00 172.78 1f5t s LEU 2026N 10.19 2.36 0.39 -3.56 2.96 -1.26 -0.72 118.68 129.04 1f5t s LEU 2026Ca 0.74 -0.52 0.13 0.00 -0.22 0.00 0.00 54.13 54.26 1f5t s LEU 2026Cb -0.11 -1.38 0.96 0.00 0.50 0.00 0.00 46.19 46.16 1f5t s LEU 2026CO 0.14 0.26 1.87 0.03 -1.32 0.00 0.00 176.35 177.32 1f5t h ARG 2027N 4.68 0.52 -0.32 1.98 3.08 -1.92 0.23 114.38 122.63 1f5t h ARG 2027Ca -0.47 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 59.57 1f5t h ARG 2027Cb 1.15 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 1f5t h ARG 2027CO 0.45 0.34 0.21 0.00 -1.07 0.00 0.00 179.97 179.90 1f5t h ALA 2028N 1.61 1.85 0.40 0.04 0.00 -1.95 -1.29 119.26 119.92 1f5t h ALA 2028Ca 0.45 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 1f5t h ALA 2028Cb 0.93 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1f5t h ALA 2028CO -0.19 0.12 -0.19 0.00 0.00 0.00 0.00 179.25 178.99 1f5t h ARG 2029N 0.36 -0.52 -0.76 0.00 2.47 -0.91 -2.60 114.38 112.41 1f5t h ARG 2029Ca 0.12 0.04 0.16 0.00 -1.26 0.00 0.00 59.98 59.04 1f5t h ARG 2029Cb 0.05 0.12 -0.11 0.00 -1.65 0.00 0.00 29.97 28.38 1f5t h ARG 2029CO -0.03 -0.21 0.24 0.82 0.56 0.00 0.00 179.97 181.34 1f5t h ILE 2030N -0.96 0.55 -0.14 2.04 2.04 -1.23 0.42 117.51 120.23 1f5t h ILE 2030Ca -0.06 -0.11 0.05 0.00 1.00 0.00 0.00 64.86 65.74 1f5t h ILE 2030Cb 0.55 0.19 -0.06 0.00 -0.74 0.00 0.00 36.82 36.76 1f5t h ILE 2030CO 0.09 0.06 -0.28 0.00 0.00 0.00 0.00 178.15 178.02 1f5t h ALA 2031N 1.61 -0.28 -0.25 1.87 0.00 -1.21 0.94 119.26 121.94 1f5t h ALA 2031Ca 0.43 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 55.22 1f5t h ALA 2031Cb 0.73 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1f5t h ALA 2031CO -0.49 -0.74 -0.48 1.05 0.00 0.00 0.00 179.25 178.59 1f5t h GLU 2032N -0.34 0.68 -0.50 0.00 4.11 -0.67 -1.37 114.58 116.48 1f5t h GLU 2032Ca 0.10 -0.39 -0.05 0.00 0.07 0.00 0.00 59.36 59.09 1f5t h GLU 2032Cb 0.50 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1f5t h GLU 2032CO -0.33 1.01 0.11 0.00 0.07 0.00 0.00 179.01 179.87 1f5t h ARG 2033N 0.54 0.81 -0.58 1.06 2.47 0.11 -3.12 114.38 115.67 1f5t h ARG 2033Ca 0.03 -0.20 0.00 0.00 -1.26 0.00 0.00 59.98 58.55 1f5t h ARG 2033Cb 1.04 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.25 1f5t h ARG 2033CO 0.10 0.79 0.00 1.28 0.56 0.00 0.00 179.97 182.70 1f5t n LEU 2034N -4.44 3.26 -1.36 3.04 4.77 0.29 -4.94 117.00 117.62 1f5t n LEU 2034Ca 0.01 -1.64 -0.18 0.00 -0.03 0.00 0.00 56.01 54.18 1f5t n LEU 2034Cb 0.23 -0.42 -0.07 0.00 -2.33 0.00 0.00 43.42 40.83 1f5t n LEU 2034CO 0.40 0.70 -0.17 -0.62 -1.33 0.00 0.00 177.39 176.37 1f5t n GLU 2035N 1.00 -1.22 -3.96 3.23 -0.58 -0.82 -4.98 120.64 113.31 1f5t n GLU 2035Ca 0.19 1.11 -0.22 0.00 -0.42 0.00 0.00 57.16 57.82 1f5t n GLU 2035Cb 0.56 -5.36 -0.04 0.00 -0.57 0.00 0.00 31.44 26.03 1f5t n GLU 2035CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1f5t s GLN 2036N -3.53 2.79 0.49 3.49 -0.21 -0.58 -5.03 119.66 117.09 1f5t s GLN 2036Ca 0.00 -1.20 -0.20 0.00 0.02 0.00 0.00 55.36 53.98 1f5t s GLN 2036Cb 0.00 -2.50 -0.08 0.00 1.00 0.00 0.00 33.01 31.43 1f5t s GLN 2036CO 0.00 0.23 1.06 -1.54 -2.12 0.00 0.00 175.29 172.92 1f5t s SER 2037N -3.92 6.21 0.18 5.90 1.04 -1.26 -4.50 113.70 117.35 1f5t s SER 2037Ca 0.37 2.00 -0.15 0.00 0.48 0.00 0.00 55.95 58.66 1f5t s SER 2037Cb -0.07 -2.57 0.15 0.00 0.10 0.00 0.00 66.02 63.64 1f5t s SER 2037CO 0.26 -0.87 1.68 1.23 0.98 0.00 0.00 173.24 176.51 1f5t h GLY 2038N 1.54 0.41 2.00 7.32 0.00 -1.97 -2.14 103.07 110.24 1f5t h GLY 2038Ca -0.50 0.09 -0.09 0.00 0.00 0.00 0.00 47.33 46.84 1f5t h GLY 2038CO 0.59 -0.14 -0.41 -0.56 0.00 0.00 0.00 176.54 176.01 1f5t h PRO 2039N 0.07 0.00 0.05 4.80 0.13 -2.00 -2.84 132.00 132.21 1f5t h PRO 2039Ca 0.23 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.35 1f5t h PRO 2039Cb 0.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.47 1f5t h PRO 2039CO -0.42 0.41 -0.03 1.15 -0.23 0.00 0.00 178.00 178.89 1f5t h THR 2040N 0.00 0.96 -0.16 1.56 2.02 -1.79 -1.95 112.91 113.54 1f5t h THR 2040Ca -0.00 -0.04 0.04 0.00 0.77 0.00 0.00 66.41 67.17 1f5t h THR 2040Cb 0.85 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 68.21 1f5t h THR 2040CO 0.05 0.01 -0.06 0.58 0.37 0.00 0.00 175.52 176.48 1f5t h VAL 2041N -0.09 0.79 -0.63 3.16 2.07 -1.38 -1.39 116.25 118.78 1f5t h VAL 2041Ca -0.01 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.60 1f5t h VAL 2041Cb 0.07 0.79 -0.07 0.00 -1.52 0.00 0.00 31.29 30.57 1f5t h VAL 2041CO 0.01 0.00 0.28 0.28 0.02 0.00 0.00 177.57 178.16 1f5t h SER 2042N -0.03 0.33 -0.19 0.57 0.02 -1.37 0.16 113.55 113.03 1f5t h SER 2042Ca 0.08 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1f5t h SER 2042Cb 0.16 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 1f5t h SER 2042CO -0.19 0.20 0.11 -0.61 -1.14 0.00 0.00 176.83 175.20 1f5t h GLN 2043N 0.49 0.27 -0.32 3.45 4.15 -0.87 0.45 115.11 122.73 1f5t h GLN 2043Ca 0.31 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.66 1f5t h GLN 2043Cb 0.33 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 1f5t h GLN 2043CO -0.27 0.24 0.04 1.15 -1.93 0.00 0.00 178.83 178.06 1f5t h THR 2044N 0.22 1.24 -0.85 2.39 2.02 -0.83 -0.36 112.91 116.74 1f5t h THR 2044Ca 0.07 -0.84 0.04 0.00 0.77 0.00 0.00 66.41 66.45 1f5t h THR 2044Cb 0.04 1.16 -0.05 0.00 -1.74 0.00 0.00 68.15 67.56 1f5t h THR 2044CO -0.01 0.28 0.54 0.58 0.37 0.00 0.00 175.52 177.28 1f5t h VAL 2045N 0.37 1.10 -0.06 3.16 2.07 -0.52 0.15 116.25 122.52 1f5t h VAL 2045Ca 0.10 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.28 1f5t h VAL 2045Cb 0.36 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 1f5t h VAL 2045CO 0.01 0.19 -0.04 0.00 0.02 0.00 0.00 177.57 177.75 1f5t h ALA 2046N 1.37 0.02 -0.52 1.67 0.00 -0.43 0.33 119.26 121.70 1f5t h ALA 2046Ca 0.35 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.39 1f5t h ALA 2046Cb 0.06 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.86 1f5t h ALA 2046CO -0.14 -0.51 0.03 -0.09 0.00 0.00 0.00 179.25 178.54 1f5t h ARG 2047N -0.04 0.15 -0.69 0.00 2.43 0.12 -0.16 114.38 116.19 1f5t h ARG 2047Ca 0.04 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 1f5t h ARG 2047Cb 0.09 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 1f5t h ARG 2047CO -0.09 0.10 0.32 0.52 -1.51 0.00 0.00 179.97 179.31 1f5t h MET 2048N 0.15 0.98 -0.64 0.20 2.86 0.16 -0.97 114.93 117.67 1f5t h MET 2048Ca 0.27 -0.14 -0.06 0.00 -2.06 0.00 0.00 59.70 57.71 1f5t h MET 2048Cb 0.40 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 1f5t h MET 2048CO -0.41 0.77 0.16 1.49 1.06 0.00 0.00 176.91 179.98 1f5t h GLU 2049N 0.98 1.00 -0.77 1.72 4.81 0.10 -1.41 114.58 121.00 1f5t h GLU 2049Ca 0.24 -0.22 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 1f5t h GLU 2049Cb 0.12 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 1f5t h GLU 2049CO -0.03 0.88 0.30 -0.09 -0.73 0.00 0.00 179.01 179.35 1f5t h ARG 2050N 0.95 1.15 0.00 1.92 2.43 -0.38 -1.98 114.38 118.48 1f5t h ARG 2050Ca 0.20 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1f5t h ARG 2050Cb 0.34 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1f5t h ARG 2050CO -0.00 0.94 0.00 -0.25 -1.51 0.00 0.00 179.97 179.15 1f5t n ASP 2051N -4.30 0.00 -1.99 -3.80 8.00 -0.44 -4.88 116.55 109.13 1f5t n ASP 2051Ca 0.07 -1.42 -0.15 0.00 0.71 0.00 0.00 54.79 54.00 1f5t n ASP 2051Cb 0.19 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.31 1f5t n ASP 2051CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1f5t n GLY 2052N 0.53 -0.12 0.14 0.44 0.00 -0.74 -4.93 105.19 100.50 1f5t n GLY 2052Ca 0.08 -0.20 -0.18 0.00 0.00 0.00 0.00 46.02 45.72 1f5t n GLY 2052CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1f5t n LEU 2053N -2.63 2.75 -4.49 0.99 4.77 -0.72 -4.47 117.00 113.19 1f5t n LEU 2053Ca -0.09 -0.04 -0.25 0.00 -0.03 0.00 0.00 56.01 55.61 1f5t n LEU 2053Cb 0.58 -0.78 -0.08 0.00 -2.33 0.00 0.00 43.42 40.81 1f5t n LEU 2053CO 0.30 0.81 -0.20 0.68 -1.33 0.00 0.00 177.39 177.65 1f5t s VAL 2054N -2.45 0.62 -0.06 4.08 -7.23 -1.25 -0.80 120.40 113.31 1f5t s VAL 2054Ca -0.31 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 57.77 1f5t s VAL 2054Cb 0.09 -2.41 0.02 0.00 0.56 0.00 0.00 36.38 34.64 1f5t s VAL 2054CO 0.51 0.00 0.23 -0.69 -0.31 0.00 0.00 175.10 174.84 1f5t s VAL 2055N -3.26 0.02 -0.17 1.32 1.01 -0.16 -4.28 120.40 114.89 1f5t s VAL 2055Ca 0.26 -0.18 -0.09 0.00 0.00 0.00 0.00 61.98 61.98 1f5t s VAL 2055Cb 0.03 -0.39 -0.05 0.00 0.00 0.00 0.00 36.38 35.98 1f5t s VAL 2055CO 0.15 -0.10 0.13 -0.69 0.00 0.00 0.00 175.10 174.59 1f5t s VAL 2056N -0.31 5.39 0.73 2.92 1.01 -1.26 -0.34 120.40 128.54 1f5t s VAL 2056Ca -0.04 0.18 -0.04 0.00 0.00 0.00 0.00 61.98 62.08 1f5t s VAL 2056Cb -0.03 -3.42 0.11 0.00 0.00 0.00 0.00 36.38 33.05 1f5t s VAL 2056CO 0.01 0.51 1.02 0.00 0.00 0.00 0.00 175.10 176.63 1f5t s ALA 2057N -0.13 3.41 0.45 5.51 0.00 0.01 -4.90 121.76 126.11 1f5t s ALA 2057Ca 0.10 -1.45 0.17 0.00 0.00 0.00 0.00 51.96 50.78 1f5t s ALA 2057Cb -0.11 -2.24 1.12 0.00 0.00 0.00 0.00 23.12 21.89 1f5t s ALA 2057CO 0.00 -1.48 2.02 0.77 0.00 0.00 0.00 175.76 177.07 1f5t h SER 2058N -0.63 0.00 -0.34 0.00 0.02 -1.98 0.18 113.55 110.81 1f5t h SER 2058Ca -0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1f5t h SER 2058Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1f5t h SER 2058CO 0.45 0.16 0.00 -0.90 -1.14 0.00 0.00 176.83 175.40 1f5t n ASP 2059N -4.19 2.02 -0.83 3.07 5.68 -1.26 -4.90 116.55 116.14 1f5t n ASP 2059Ca -0.02 -2.05 -0.11 0.00 -0.50 0.00 0.00 54.79 52.10 1f5t n ASP 2059Cb 0.23 -0.28 -0.05 0.00 -1.14 0.00 0.00 41.12 39.89 1f5t n ASP 2059CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1f5t n ARG 2060N 0.49 -0.88 -3.24 0.11 1.74 0.64 -5.02 116.66 110.50 1f5t n ARG 2060Ca 0.12 0.86 -0.31 0.00 -0.77 0.00 0.00 57.85 57.75 1f5t n ARG 2060Cb 0.34 -4.86 -0.04 0.00 -1.02 0.00 0.00 32.46 26.88 1f5t n ARG 2060CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1f5t s SER 2061N -2.77 6.57 -0.21 0.55 1.04 -1.26 -4.50 113.70 113.11 1f5t s SER 2061Ca 0.00 0.95 -0.22 0.00 0.48 0.00 0.00 55.95 57.16 1f5t s SER 2061Cb 0.00 -2.24 -0.02 0.00 0.10 0.00 0.00 66.02 63.86 1f5t s SER 2061CO 0.00 -0.20 0.71 -0.76 0.98 0.00 0.00 173.24 173.98 1f5t s LEU 2062N -3.27 4.12 -0.28 2.42 2.01 0.11 -0.81 118.68 122.97 1f5t s LEU 2062Ca 0.48 0.92 -0.02 0.00 0.01 0.00 0.00 54.13 55.52 1f5t s LEU 2062Cb -0.11 -3.01 0.04 0.00 0.01 0.00 0.00 46.19 43.12 1f5t s LEU 2062CO 0.25 -0.37 -0.02 -1.10 1.01 0.00 0.00 176.35 176.13 1f5t s GLN 2063N 2.28 2.60 0.30 1.70 -0.21 0.54 -4.82 119.66 122.05 1f5t s GLN 2063Ca 0.31 -1.15 -0.29 0.00 0.02 0.00 0.00 55.36 54.25 1f5t s GLN 2063Cb -0.16 -3.13 -0.10 0.00 1.00 0.00 0.00 33.01 30.63 1f5t s GLN 2063CO 0.10 -0.54 1.17 -1.64 -2.12 0.00 0.00 175.29 172.26 1f5t s MET 2064N 1.29 4.52 0.71 2.91 -1.94 -1.26 -0.99 119.30 124.54 1f5t s MET 2064Ca -0.03 1.94 -0.07 0.00 -1.71 0.00 0.00 55.69 55.81 1f5t s MET 2064Cb -0.19 -3.13 0.06 0.00 2.01 0.00 0.00 34.83 33.59 1f5t s MET 2064CO -0.02 0.06 1.03 0.95 -0.01 0.00 0.00 175.02 177.03 1f5t s THR 2065N -1.17 2.40 0.24 2.05 -4.23 0.02 -4.74 115.64 110.21 1f5t s THR 2065Ca 0.46 -0.18 -0.05 0.00 -1.18 0.00 0.00 61.69 60.74 1f5t s THR 2065Cb -0.34 -3.06 0.20 0.00 1.34 0.00 0.00 72.50 70.64 1f5t s THR 2065CO 0.45 -0.07 1.74 1.55 -0.54 0.00 0.00 174.62 177.75 1f5t h PRO 2066N -0.63 0.46 -0.65 3.99 0.13 -1.90 0.20 132.00 133.60 1f5t h PRO 2066Ca -0.45 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 1f5t h PRO 2066Cb 1.31 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 1f5t h PRO 2066CO 0.61 0.30 0.18 1.79 -0.23 0.00 0.00 178.00 180.65 1f5t h THR 2067N 0.47 1.25 0.40 1.56 1.35 -1.90 -2.34 112.91 113.70 1f5t h THR 2067Ca 0.39 -0.91 -0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1f5t h THR 2067Cb 0.55 0.61 -0.03 0.00 -1.73 0.00 0.00 68.15 67.55 1f5t h THR 2067CO -0.37 0.34 -0.45 1.23 -0.25 0.00 0.00 175.52 176.03 1f5t h GLY 2068N 0.95 -1.06 0.25 5.82 0.00 -0.83 -2.16 103.07 106.03 1f5t h GLY 2068Ca 0.21 0.52 0.09 0.00 0.00 0.00 0.00 47.33 48.15 1f5t h GLY 2068CO -0.00 -0.33 0.06 3.21 0.00 0.00 0.00 176.54 179.47 1f5t h ARG 2069N -0.87 0.18 -0.48 4.80 3.08 -0.93 0.13 114.38 120.29 1f5t h ARG 2069Ca -0.04 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.06 1f5t h ARG 2069Cb 0.78 -0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.71 1f5t h ARG 2069CO -0.09 0.12 -0.55 1.15 -1.07 0.00 0.00 179.97 179.53 1f5t h THR 2070N 0.18 0.00 -0.92 2.04 2.02 -1.14 0.47 112.91 115.57 1f5t h THR 2070Ca 0.26 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.47 1f5t h THR 2070Cb 0.37 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.73 1f5t h THR 2070CO -0.38 0.00 0.60 0.25 0.37 0.00 0.00 175.52 176.36 1f5t h LEU 2071N -0.33 1.00 0.03 2.58 6.46 -0.84 -2.59 115.31 121.61 1f5t h LEU 2071Ca 0.08 -0.01 0.01 0.00 -0.12 0.00 0.00 57.88 57.84 1f5t h LEU 2071Cb 0.55 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 1f5t h LEU 2071CO -0.63 0.70 -0.07 0.00 -0.62 0.00 0.00 178.44 177.82 1f5t h ALA 2072N 1.37 -0.09 0.00 1.25 0.00 0.12 -2.22 119.26 119.68 1f5t h ALA 2072Ca 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1f5t h ALA 2072Cb -0.03 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1f5t h ALA 2072CO -0.11 -0.57 0.00 1.79 0.00 0.00 0.00 179.25 180.36 1f5t h THR 2073N -0.13 0.00 -0.03 0.00 1.35 0.00 -2.24 112.91 111.86 1f5t h THR 2073Ca 0.02 -0.39 -0.24 0.00 -0.55 0.00 0.00 66.41 65.25 1f5t h THR 2073Cb 0.15 1.39 0.01 0.00 -1.73 0.00 0.00 68.15 67.97 1f5t h THR 2073CO -0.05 0.00 -0.94 0.00 -0.25 0.00 0.00 175.52 174.28 1f5t h ALA 2074N 2.00 0.28 -0.21 6.62 0.00 -1.03 -0.86 119.26 126.06 1f5t h ALA 2074Ca 0.00 -0.68 -0.17 0.00 0.00 0.00 0.00 54.91 54.07 1f5t h ALA 2074Cb 0.40 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1f5t h ALA 2074CO 0.00 0.74 -0.51 0.28 0.00 0.00 0.00 179.25 179.75 1f5t h VAL 2075N 0.35 1.31 -0.02 0.00 2.07 -1.12 -1.46 116.25 117.38 1f5t h VAL 2075Ca -0.09 -1.73 0.03 0.00 0.82 0.00 0.00 66.70 65.72 1f5t h VAL 2075Cb 1.57 1.84 -0.03 0.00 -1.52 0.00 0.00 31.29 33.15 1f5t h VAL 2075CO 0.18 0.55 -0.15 0.24 0.02 0.00 0.00 177.57 178.40 1f5t h MET 2076N 0.44 -0.23 0.15 1.57 2.86 -1.42 0.17 114.93 118.48 1f5t h MET 2076Ca -0.00 0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1f5t h MET 2076Cb 1.13 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.79 1f5t h MET 2076CO 0.11 -0.15 -0.50 -0.09 1.06 0.00 0.00 176.91 177.34 1f5t h ARG 2077N -0.24 -0.73 -0.63 1.72 2.43 -1.09 -1.70 114.38 114.15 1f5t h ARG 2077Ca 0.06 0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.35 1f5t h ARG 2077Cb 0.31 0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.99 1f5t h ARG 2077CO -0.16 -0.49 0.41 0.87 -1.51 0.00 0.00 179.97 179.10 1f5t h LYS 2078N -0.76 0.57 -0.25 0.20 1.57 -1.05 -1.63 116.57 115.22 1f5t h LYS 2078Ca -0.00 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1f5t h LYS 2078Cb 0.76 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1f5t h LYS 2078CO -0.26 0.37 0.16 1.25 -0.57 0.00 0.00 179.45 180.40 1f5t h HIS 2079N 0.58 0.29 0.45 -1.35 2.76 0.21 0.64 115.15 118.73 1f5t h HIS 2079Ca 0.27 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.43 1f5t h HIS 2079Cb 0.33 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.20 1f5t h HIS 2079CO -0.00 0.18 -0.22 0.00 -1.30 0.00 0.00 177.93 176.59 1f5t h ARG 2080N 0.32 -0.58 -0.97 5.26 3.08 -0.66 -0.66 114.38 120.17 1f5t h ARG 2080Ca 0.09 0.04 0.24 0.00 0.07 0.00 0.00 59.98 60.42 1f5t h ARG 2080Cb -0.02 0.13 -0.07 0.00 0.08 0.00 0.00 29.97 30.09 1f5t h ARG 2080CO -0.03 -0.30 0.64 1.25 -1.07 0.00 0.00 179.97 180.45 1f5t h LEU 2081N -0.79 0.38 0.24 3.04 5.85 -1.19 0.19 115.31 123.03 1f5t h LEU 2081Ca -0.06 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1f5t h LEU 2081Cb 0.55 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1f5t h LEU 2081CO 0.10 0.12 -0.11 0.00 -0.34 0.00 0.00 178.44 178.21 1f5t h ALA 2082N 1.60 -0.32 -1.11 1.25 0.00 -0.69 -2.81 119.26 117.18 1f5t h ALA 2082Ca 0.51 -0.18 0.32 0.00 0.00 0.00 0.00 54.91 55.56 1f5t h ALA 2082Cb 1.38 0.12 -0.11 0.00 0.00 0.00 0.00 17.79 19.18 1f5t h ALA 2082CO -0.20 -0.36 0.71 0.93 0.00 0.00 0.00 179.25 180.33 1f5t h GLU 2083N -0.96 0.30 0.34 0.00 5.08 0.54 -0.02 114.58 119.85 1f5t h GLU 2083Ca -0.03 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1f5t h GLU 2083Cb 0.47 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1f5t h GLU 2083CO 0.05 0.20 -0.16 0.00 -1.00 0.00 0.00 179.01 178.10 1f5t h ARG 2084N 0.31 -0.43 -1.01 2.33 3.08 -0.74 -2.45 114.38 115.47 1f5t h ARG 2084Ca 0.68 0.03 0.23 0.00 0.07 0.00 0.00 59.98 60.98 1f5t h ARG 2084Cb 1.82 0.10 -0.11 0.00 0.08 0.00 0.00 29.97 31.86 1f5t h ARG 2084CO -0.37 -0.11 0.62 1.25 -1.07 0.00 0.00 179.97 180.29 1f5t h LEU 2085N -0.92 0.64 -0.03 3.04 5.85 -0.83 -0.33 115.31 122.73 1f5t h LEU 2085Ca -0.05 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1f5t h LEU 2085Cb 0.52 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 1f5t h LEU 2085CO 0.08 0.16 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.23 1f5t h LEU 2086N 0.58 0.08 -0.79 2.25 3.38 -1.08 -1.60 115.31 118.14 1f5t h LEU 2086Ca 0.60 -0.50 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 1f5t h LEU 2086Cb 1.18 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1f5t h LEU 2086CO -0.37 0.56 -0.36 0.74 0.09 0.00 0.00 178.44 179.10 1f5t h THR 2087N -0.39 1.29 0.00 0.22 2.02 -0.83 0.46 112.91 115.67 1f5t h THR 2087Ca 0.00 -1.48 0.00 0.00 0.77 0.00 0.00 66.41 65.70 1f5t h THR 2087Cb 0.54 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1f5t h THR 2087CO 0.01 0.46 0.00 0.47 0.37 0.00 0.00 175.52 176.83 1f5t n ASP 2088N -4.05 0.00 -0.11 4.18 10.43 -0.21 -3.76 116.55 123.02 1f5t n ASP 2088Ca -0.01 0.00 -0.06 0.00 2.57 0.00 0.00 54.79 57.29 1f5t n ASP 2088Cb 0.48 0.00 0.01 0.00 1.84 0.00 0.00 41.12 43.44 1f5t n ASP 2088CO 0.00 0.00 0.00 0.40 -1.07 0.00 0.00 177.20 176.53 1f5t h ILE 2089N 0.00 0.44 0.15 0.53 2.04 -1.73 -2.71 117.51 116.23 1f5t h ILE 2089Ca 0.00 0.00 -0.28 0.00 1.00 0.00 0.00 64.86 65.58 1f5t h ILE 2089Cb 0.00 0.44 0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1f5t h ILE 2089CO 0.00 0.00 -1.28 0.40 0.00 0.00 0.00 178.15 177.27 1f5t h ILE 2090N -0.13 1.45 -4.00 -0.67 1.08 -1.35 -3.49 117.51 110.41 1f5t h ILE 2090Ca 0.19 -2.96 -0.19 0.00 -0.39 0.00 0.00 64.86 61.51 1f5t h ILE 2090Cb 0.41 2.94 0.09 0.00 -3.07 0.00 0.00 36.82 37.20 1f5t h ILE 2090CO -0.45 0.87 -0.42 0.61 -0.69 0.00 0.00 178.15 178.06 1f5t n GLY 2091N 1.54 0.01 3.84 5.37 0.00 0.14 -5.00 105.19 111.09 1f5t n GLY 2091Ca -0.10 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 1f5t n GLY 2091CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1f5t s LEU 2092N -4.43 4.02 -0.13 0.99 2.96 -0.18 -4.96 118.68 116.95 1f5t s LEU 2092Ca 0.03 1.44 -0.40 0.00 -0.22 0.00 0.00 54.13 54.97 1f5t s LEU 2092Cb -0.01 -4.24 -0.18 0.00 0.50 0.00 0.00 46.19 42.26 1f5t s LEU 2092CO 0.41 -0.26 1.44 -0.67 -1.32 0.00 0.00 176.35 175.95 1f5t n ASP 2093N -0.44 1.44 -0.24 3.68 4.64 -1.26 -4.66 116.55 119.70 1f5t n ASP 2093Ca 0.05 1.13 0.04 0.00 -1.38 0.00 0.00 54.79 54.63 1f5t n ASP 2093Cb 0.53 -1.07 0.16 0.00 -1.04 0.00 0.00 41.12 39.71 1f5t n ASP 2093CO 0.00 0.00 0.00 0.40 -0.82 0.00 0.00 177.20 176.78 1f5t h ILE 2094N 4.08 0.56 0.00 5.18 1.08 -1.97 0.59 117.51 127.04 1f5t h ILE 2094Ca -0.47 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 63.90 1f5t h ILE 2094Cb 1.36 0.25 0.00 0.00 -3.07 0.00 0.00 36.82 35.36 1f5t h ILE 2094CO 0.84 0.05 0.00 0.59 -0.69 0.00 0.00 178.15 178.94 1f5t n ASN 2095N -5.14 0.00 0.00 1.72 3.02 -1.26 -2.06 115.26 111.55 1f5t n ASN 2095Ca 0.13 -0.51 0.00 0.00 -0.03 0.00 0.00 54.58 54.17 1f5t n ASN 2095Cb 0.42 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 1f5t n ASN 2095CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1f5t n LYS 2096N -0.83 4.33 0.00 3.52 5.02 0.16 -4.84 118.16 125.51 1f5t n LYS 2096Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1f5t n LYS 2096Cb 0.03 -0.62 0.00 0.00 -0.02 0.00 0.00 35.03 34.42 1f5t n LYS 2096CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1f5t n VAL 2097N -1.05 0.00 -0.35 -0.18 0.31 -0.87 -2.00 118.33 114.20 1f5t n VAL 2097Ca 0.00 1.34 0.25 0.00 -0.01 0.00 0.00 64.34 65.92 1f5t n VAL 2097Cb 0.00 -2.20 0.51 0.00 -0.91 0.00 0.00 33.84 31.24 1f5t n VAL 2097CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1f5t h HIS 2098N 0.00 0.74 -0.60 3.52 -0.00 -1.90 0.51 115.15 117.42 1f5t h HIS 2098Ca 0.00 0.03 0.04 0.00 -0.00 0.00 0.00 60.37 60.44 1f5t h HIS 2098Cb 0.00 -0.21 -0.05 0.00 -0.00 0.00 0.00 27.41 27.16 1f5t h HIS 2098CO -0.07 -0.03 0.34 -0.44 -0.00 0.00 0.00 177.93 177.73 1f5t h ASP 2099N 0.36 0.53 -0.18 3.26 3.45 -1.85 -0.90 116.42 121.08 1f5t h ASP 2099Ca 0.67 0.02 -0.04 0.00 0.43 0.00 0.00 57.03 58.11 1f5t h ASP 2099Cb 1.69 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 40.36 1f5t h ASP 2099CO -0.41 0.36 -0.03 -0.33 -1.57 0.00 0.00 179.24 177.26 1f5t h GLU 2100N 0.66 0.34 0.00 3.56 4.39 0.58 -3.08 114.58 121.04 1f5t h GLU 2100Ca 0.26 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 1f5t h GLU 2100Cb 0.10 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1f5t h GLU 2100CO -0.14 0.60 -0.04 0.00 -1.16 0.00 0.00 179.01 178.27 1f5t h ALA 2101N 0.74 1.48 0.00 3.43 0.00 -0.81 -0.91 119.26 123.19 1f5t h ALA 2101Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1f5t h ALA 2101Cb 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1f5t h ALA 2101CO 0.02 0.05 0.00 0.22 0.00 0.00 0.00 179.25 179.54 1f5t h ASP 2102N 0.00 0.00 0.00 0.00 1.82 -1.07 -1.45 116.42 115.72 1f5t h ASP 2102Ca -0.00 0.00 -0.19 0.00 -0.39 0.00 0.00 57.03 56.45 1f5t h ASP 2102Cb 0.10 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.08 1f5t h ASP 2102CO 0.01 0.00 -1.56 0.54 -1.61 0.00 0.00 179.24 176.62 1f5t n ARG 2103N -2.84 0.55 -0.14 0.28 1.74 -0.41 -4.48 116.66 111.36 1f5t n ARG 2103Ca -0.01 0.28 0.17 0.00 -0.77 0.00 0.00 57.85 57.52 1f5t n ARG 2103Cb 0.18 -1.49 0.54 0.00 -1.02 0.00 0.00 32.46 30.67 1f5t n ARG 2103CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1f5t h TRP 2104N -1.00 0.40 -0.76 -1.55 4.06 -1.38 -1.09 115.95 114.64 1f5t h TRP 2104Ca -0.29 0.01 0.21 0.00 2.06 0.00 0.00 58.89 60.89 1f5t h TRP 2104Cb 1.21 -0.13 -0.03 0.00 -1.00 0.00 0.00 29.16 29.21 1f5t h TRP 2104CO -0.25 0.15 0.54 1.05 -3.56 0.00 0.00 178.44 176.37 1f5t h GLU 2105N 0.34 0.06 -0.19 0.49 4.11 -1.48 0.10 114.58 118.00 1f5t h GLU 2105Ca 0.35 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.78 1f5t h GLU 2105Cb 0.90 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1f5t h GLU 2105CO -0.10 0.04 0.00 0.72 0.07 0.00 0.00 179.01 179.74 1f5t n HIS 2106N -4.34 0.24 -2.21 2.06 8.25 -0.41 -4.21 115.22 114.60 1f5t n HIS 2106Ca 0.15 -0.12 0.02 0.00 -0.26 0.00 0.00 57.72 57.51 1f5t n HIS 2106Cb 0.79 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.91 1f5t n HIS 2106CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 1f5t n VAL 2107N 0.47 0.00 -3.80 1.59 3.14 0.33 -4.96 118.33 115.09 1f5t n VAL 2107Ca 0.16 -0.42 -0.37 0.00 -2.96 0.00 0.00 64.34 60.76 1f5t n VAL 2107Cb 0.36 0.71 -0.13 0.00 -1.06 0.00 0.00 33.84 33.72 1f5t n VAL 2107CO 0.00 0.00 0.00 -0.32 -6.46 0.00 0.00 176.83 170.05 1f5t s MET 2108N 0.00 2.67 0.86 1.45 0.00 -1.10 -5.07 119.30 118.11 1f5t s MET 2108Ca 0.14 -1.13 -0.10 0.00 0.00 0.00 0.00 55.69 54.60 1f5t s MET 2108Cb 0.16 -3.36 0.11 0.00 0.00 0.00 0.00 34.83 31.75 1f5t s MET 2108CO -0.07 -0.60 1.12 -1.54 0.00 0.00 0.00 175.02 173.92 1f5t s SER 2109N 1.38 3.59 0.16 1.11 1.04 -1.26 -4.79 113.70 114.92 1f5t s SER 2109Ca -0.02 1.98 -0.16 0.00 0.48 0.00 0.00 55.95 58.24 1f5t s SER 2109Cb -0.19 -2.52 0.04 0.00 0.10 0.00 0.00 66.02 63.45 1f5t s SER 2109CO 0.01 -2.65 1.80 0.44 0.98 0.00 0.00 173.24 173.83 1f5t h ASP 2110N -1.55 0.40 -0.18 7.02 3.45 -1.99 0.51 116.42 124.08 1f5t h ASP 2110Ca -0.44 0.00 0.02 0.00 0.43 0.00 0.00 57.03 57.04 1f5t h ASP 2110Cb 1.25 -0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 39.92 1f5t h ASP 2110CO 0.47 0.28 -0.11 -0.33 -1.57 0.00 0.00 179.24 177.98 1f5t h GLU 2111N 0.49 -0.00 -0.87 3.56 4.39 -2.00 0.17 114.58 120.32 1f5t h GLU 2111Ca 0.16 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.95 1f5t h GLU 2111Cb 0.00 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.58 1f5t h GLU 2111CO -0.07 -0.00 0.52 0.28 -1.16 0.00 0.00 179.01 178.57 1f5t h VAL 2112N -0.00 0.95 -0.20 3.13 2.07 -1.87 -1.68 116.25 118.65 1f5t h VAL 2112Ca 0.03 -0.30 0.06 0.00 0.82 0.00 0.00 66.70 67.30 1f5t h VAL 2112Cb 0.08 -0.01 -0.07 0.00 -1.52 0.00 0.00 31.29 29.77 1f5t h VAL 2112CO -0.17 0.16 -0.32 -0.08 0.02 0.00 0.00 177.57 177.18 1f5t h GLU 2113N 0.88 -0.34 0.63 1.57 4.81 0.15 0.72 114.58 123.00 1f5t h GLU 2113Ca 0.41 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.63 1f5t h GLU 2113Cb 0.33 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1f5t h GLU 2113CO -0.23 -0.23 -0.33 0.00 -0.73 0.00 0.00 179.01 177.49 1f5t h ARG 2114N -0.35 -0.85 -0.81 1.92 3.08 -0.54 -2.03 114.38 114.79 1f5t h ARG 2114Ca 0.12 0.06 0.12 0.00 0.07 0.00 0.00 59.98 60.34 1f5t h ARG 2114Cb 0.54 0.19 -0.13 0.00 0.08 0.00 0.00 29.97 30.65 1f5t h ARG 2114CO -0.40 -0.57 -0.41 -0.09 -1.07 0.00 0.00 179.97 177.43 1f5t h ARG 2115N -0.89 -0.09 -0.69 0.04 9.65 -0.67 -0.51 114.38 121.23 1f5t h ARG 2115Ca -0.08 0.01 0.03 0.00 -1.10 0.00 0.00 59.98 58.84 1f5t h ARG 2115Cb 0.69 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.25 1f5t h ARG 2115CO 0.12 -0.06 0.46 1.25 2.80 0.00 0.00 179.97 184.54 1f5t h LEU 2116N -0.09 0.72 -1.16 3.80 5.85 0.62 -1.88 115.31 123.17 1f5t h LEU 2116Ca 0.26 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.94 1f5t h LEU 2116Cb 0.56 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1f5t h LEU 2116CO -0.85 0.49 0.18 1.62 -0.34 0.00 0.00 178.44 179.55 1f5t h VAL 2117N 0.83 1.20 -0.02 1.05 3.04 -0.35 -0.79 116.25 121.22 1f5t h VAL 2117Ca 0.28 -0.67 -0.01 0.00 -1.01 0.00 0.00 66.70 65.29 1f5t h VAL 2117Cb 0.06 0.60 0.00 0.00 -2.01 0.00 0.00 31.29 29.94 1f5t h VAL 2117CO -0.08 0.26 -0.04 0.11 -1.01 0.00 0.00 177.57 176.81 1f5t h LYS 2118N 0.76 0.06 0.02 4.17 1.57 -1.26 -3.28 116.57 118.61 1f5t h LYS 2118Ca 0.18 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1f5t h LYS 2118Cb 0.19 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.46 1f5t h LYS 2118CO -0.01 0.62 -0.40 0.28 -0.57 0.00 0.00 179.45 179.36 1f5t h VAL 2119N -0.50 0.18 0.00 0.50 2.07 -1.02 -3.24 116.25 114.23 1f5t h VAL 2119Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1f5t h VAL 2119Cb 0.62 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1f5t h VAL 2119CO 0.01 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.78 1f5t n LEU 2120N -5.45 0.00 0.00 2.57 7.99 -0.33 -5.10 117.00 116.68 1f5t n LEU 2120Ca -0.06 0.53 0.00 0.00 -0.01 0.00 0.00 56.01 56.48 1f5t n LEU 2120Cb 0.36 -0.03 0.00 0.00 -0.11 0.00 0.00 43.42 43.64 1f5t n LEU 2120CO 0.17 -0.03 0.00 0.29 -1.51 0.00 0.00 177.39 176.31