#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fqa n THR 2009N 0.00 1.09 -0.01 0.58 -2.24 -1.26 -4.90 114.28 107.54 3fqa n THR 2009Ca 0.00 -2.37 -0.10 0.00 -2.27 0.00 0.00 64.05 59.31 3fqa n THR 2009Cb 0.00 0.59 -0.03 0.00 -2.10 0.00 0.00 70.33 68.78 3fqa n THR 2009CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3fqa h ILE 2010N 4.89 0.33 -0.32 2.28 1.08 -1.99 -1.40 117.51 122.38 3fqa h ILE 2010Ca -0.08 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.34 3fqa h ILE 2010Cb 1.51 0.33 -0.02 0.00 -3.07 0.00 0.00 36.82 35.57 3fqa h ILE 2010CO 0.19 0.00 0.02 0.11 -0.69 0.00 0.00 178.15 177.78 3fqa h LYS 2011N -0.35 0.48 -0.12 2.37 1.57 -1.92 -2.05 116.57 116.55 3fqa h LYS 2011Ca 0.11 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3fqa h LYS 2011Cb 0.51 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 3fqa h LYS 2011CO -0.36 0.49 -0.01 0.77 -0.57 0.00 0.00 179.45 179.78 3fqa h SER 2012N 0.46 0.22 -0.95 0.86 0.02 -1.79 -1.46 113.55 110.91 3fqa h SER 2012Ca 0.10 -0.33 0.06 0.00 -0.84 0.00 0.00 61.79 60.79 3fqa h SER 2012Cb 0.27 -0.06 -0.06 0.00 0.14 0.00 0.00 62.40 62.69 3fqa h SER 2012CO 0.01 0.49 0.62 0.44 -1.14 0.00 0.00 176.83 177.24 3fqa h ASP 2013N -0.06 0.98 -0.20 3.07 3.32 -1.03 0.16 116.42 122.65 3fqa h ASP 2013Ca 0.03 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 3fqa h ASP 2013Cb 0.38 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3fqa h ASP 2013CO 0.01 0.64 -0.00 -0.08 -1.72 0.00 0.00 179.24 178.09 3fqa h GLU 2014N 1.12 0.36 -0.38 3.56 4.81 -1.26 -1.31 114.58 121.49 3fqa h GLU 2014Ca 0.40 -0.12 -0.15 0.00 -0.13 0.00 0.00 59.36 59.36 3fqa h GLU 2014Cb 0.13 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 3fqa h GLU 2014CO -0.14 0.57 -0.35 0.82 -0.73 0.00 0.00 179.01 179.17 3fqa h ILE 2015N 0.12 1.28 -0.33 2.32 2.04 -0.74 -2.73 117.51 119.46 3fqa h ILE 2015Ca 0.06 -1.52 -0.12 0.00 1.00 0.00 0.00 64.86 64.28 3fqa h ILE 2015Cb 0.40 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 3fqa h ILE 2015CO 0.01 0.51 -0.27 0.15 0.00 0.00 0.00 178.15 178.54 3fqa h PHE 2016N 0.72 0.78 -0.32 1.37 3.57 -0.71 -0.77 116.94 121.59 3fqa h PHE 2016Ca 0.07 -0.19 -0.00 0.00 3.53 0.00 0.00 57.97 61.38 3fqa h PHE 2016Cb 0.92 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.46 3fqa h PHE 2016CO 0.05 0.88 0.19 0.00 -2.23 0.00 0.00 178.31 177.21 3fqa h ALA 2017N 1.11 0.41 -0.62 2.41 0.00 -1.16 -2.19 119.26 119.21 3fqa h ALA 2017Ca 0.08 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3fqa h ALA 2017Cb 0.77 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3fqa h ALA 2017CO 0.06 -0.09 0.07 0.00 0.00 0.00 0.00 179.25 179.29 3fqa h ALA 2018N 1.07 0.95 -0.52 0.00 0.00 -1.33 -2.94 119.26 116.49 3fqa h ALA 2018Ca 0.11 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.78 3fqa h ALA 2018Cb 0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3fqa h ALA 2018CO -0.02 0.65 0.35 0.00 0.00 0.00 0.00 179.25 180.22 3fqa h ALA 2019N 1.11 1.75 0.00 0.00 0.00 -0.70 -2.26 119.26 119.15 3fqa h ALA 2019Ca 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3fqa h ALA 2019Cb 0.46 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3fqa h ALA 2019CO 0.02 0.19 0.00 1.96 0.00 0.00 0.00 179.25 181.41 3fqa h GLN 2020N 0.59 0.00 0.00 0.00 4.20 -1.22 -0.57 115.11 118.11 3fqa h GLN 2020Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 3fqa h GLN 2020Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 3fqa h GLN 2020CO -0.05 0.00 -1.11 1.63 -0.67 0.00 0.00 178.83 178.63 3fqa n LYS 2021N -2.39 0.34 -0.08 1.46 5.02 -0.85 -4.40 118.16 117.25 3fqa n LYS 2021Ca 0.00 -0.01 -0.09 0.00 -2.02 0.00 0.00 58.31 56.19 3fqa n LYS 2021Cb 0.14 -1.60 -0.12 0.00 -0.02 0.00 0.00 35.03 33.43 3fqa n LYS 2021CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3fqa n LEU 2022N -2.04 0.36 -4.11 -0.35 4.77 -0.58 -5.02 117.00 110.03 3fqa n LEU 2022Ca 0.01 -0.01 -0.16 0.00 -0.03 0.00 0.00 56.01 55.82 3fqa n LEU 2022Cb 0.46 0.26 -0.12 0.00 -2.33 0.00 0.00 43.42 41.69 3fqa n LEU 2022CO 0.41 0.45 -0.43 -0.04 -1.33 0.00 0.00 177.39 176.45 3fqa s MET 2023N -2.40 0.67 -0.17 3.23 -1.94 -0.33 -5.05 119.30 113.32 3fqa s MET 2023Ca -0.10 -0.81 -0.35 0.00 -1.71 0.00 0.00 55.69 52.72 3fqa s MET 2023Cb 0.05 -0.57 -0.12 0.00 2.01 0.00 0.00 34.83 36.21 3fqa s MET 2023CO 0.64 0.12 1.95 -2.30 -0.01 0.00 0.00 175.02 175.43 3fqa n PRO 2024N 1.50 1.83 -0.81 2.03 -0.02 -1.26 0.27 135.00 138.55 3fqa n PRO 2024Ca -0.21 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3fqa n PRO 2024Cb 0.55 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 3fqa n PRO 2024CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fqa n GLY 2025N 4.89 0.35 2.21 -1.23 0.00 -1.26 -3.03 105.19 107.11 3fqa n GLY 2025Ca 0.27 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.21 3fqa n GLY 2025CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fqa n GLY 2026N -1.56 0.80 3.17 -0.02 0.00 0.14 -4.79 105.19 102.94 3fqa n GLY 2026Ca 0.00 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 3fqa n GLY 2026CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3fqa s VAL 2027N -2.31 0.14 -1.39 1.61 -7.23 -1.17 -4.63 120.40 105.43 3fqa s VAL 2027Ca 0.00 -1.65 0.25 0.00 -1.81 0.00 0.00 61.98 58.77 3fqa s VAL 2027Cb 0.00 -1.70 0.08 0.00 0.56 0.00 0.00 36.38 35.33 3fqa s VAL 2027CO 0.00 -0.66 1.39 -1.20 -0.31 0.00 0.00 175.10 174.32 3fqa n SER 2028N -0.04 0.90 -3.67 4.85 7.64 -1.26 -4.54 113.62 117.51 3fqa n SER 2028Ca -0.11 -0.70 -0.08 0.00 1.01 0.00 0.00 58.87 59.00 3fqa n SER 2028Cb 0.62 0.30 -0.09 0.00 -1.01 0.00 0.00 64.21 64.04 3fqa n SER 2028CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3fqa s SER 2029N -2.75 -0.66 0.14 6.43 0.15 -1.26 -5.09 113.70 110.66 3fqa s SER 2029Ca 0.17 1.17 -0.21 0.00 0.70 0.00 0.00 55.95 57.78 3fqa s SER 2029Cb 0.18 1.25 0.03 0.00 -1.71 0.00 0.00 66.02 65.77 3fqa s SER 2029CO 0.63 -0.22 1.21 -2.65 1.20 0.00 0.00 173.24 173.42 3fqa n PRO 2030N 4.66 -0.29 0.11 5.44 -0.02 -1.26 -1.51 135.00 142.13 3fqa n PRO 2030Ca -0.18 1.20 0.20 0.00 -2.02 0.00 0.00 63.50 62.69 3fqa n PRO 2030Cb 0.54 -1.76 0.75 0.00 -0.02 0.00 0.00 33.50 33.01 3fqa n PRO 2030CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3fqa h VAL 2031N 0.00 0.38 0.00 -1.45 3.04 -1.97 -1.79 116.25 114.45 3fqa h VAL 2031Ca 0.18 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.87 3fqa h VAL 2031Cb 0.37 0.67 0.00 0.00 -2.01 0.00 0.00 31.29 30.32 3fqa h VAL 2031CO -0.75 0.00 0.00 0.03 -1.01 0.00 0.00 177.57 175.84 3fqa h ARG 2032N 0.00 0.00 0.00 4.17 3.08 -1.68 -3.14 114.38 116.82 3fqa h ARG 2032Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 3fqa h ARG 2032Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.06 3fqa h ARG 2032CO -0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 3fqa n ALA 2033N -1.99 1.89 -1.80 0.04 0.00 -0.67 -4.73 120.51 113.25 3fqa n ALA 2033Ca 0.01 -0.07 -0.19 0.00 0.00 0.00 0.00 53.44 53.20 3fqa n ALA 2033Cb 0.30 -1.31 -0.06 0.00 0.00 0.00 0.00 19.45 18.38 3fqa n ALA 2033CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3fqa n PHE 2034N -1.46 -0.28 0.08 0.00 3.01 -1.19 -4.43 117.46 113.20 3fqa n PHE 2034Ca 0.05 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.66 3fqa n PHE 2034Cb 0.21 -3.33 0.65 0.00 -0.01 0.00 0.00 39.48 37.00 3fqa n PHE 2034CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 3fqa h LYS 2035N 0.00 0.05 -0.24 -1.08 1.79 -1.87 0.14 116.57 115.36 3fqa h LYS 2035Ca -0.40 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.06 3fqa h LYS 2035Cb 1.25 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 3fqa h LYS 2035CO 0.55 0.03 0.00 -1.13 -1.08 0.00 0.00 179.45 177.82 3fqa n SER 2036N -4.45 2.26 -1.05 0.86 3.41 -1.26 -4.22 113.62 109.17 3fqa n SER 2036Ca 0.05 -1.82 0.03 0.00 -0.26 0.00 0.00 58.87 56.88 3fqa n SER 2036Cb 0.40 -0.15 0.03 0.00 -0.26 0.00 0.00 64.21 64.22 3fqa n SER 2036CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3fqa n VAL 2037N 0.72 0.22 0.00 -3.33 0.24 -0.68 -4.75 118.33 110.75 3fqa n VAL 2037Ca 0.17 -0.87 0.00 0.00 -2.04 0.00 0.00 64.34 61.60 3fqa n VAL 2037Cb 0.42 0.70 0.00 0.00 -1.47 0.00 0.00 33.84 33.49 3fqa n VAL 2037CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fqa n GLY 2038N 0.15 3.69 0.64 7.63 0.00 -1.10 -4.79 105.19 111.41 3fqa n GLY 2038Ca 0.05 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.08 3fqa n GLY 2038CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fqa n GLY 2039N 0.00 0.82 2.92 -0.02 0.00 0.40 -4.96 105.19 104.36 3fqa n GLY 2039Ca 0.00 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 3fqa n GLY 2039CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3fqa n GLN 2040N -2.32 2.11 -1.95 1.61 6.02 -1.26 -4.92 117.38 116.67 3fqa n GLN 2040Ca 0.00 -4.51 -0.35 0.00 -0.01 0.00 0.00 57.00 52.13 3fqa n GLN 2040Cb 0.00 -2.32 0.04 0.00 1.02 0.00 0.00 30.24 28.98 3fqa n GLN 2040CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 3fqa s PRO 2041N -1.55 2.93 -0.07 -1.09 0.02 -1.26 -5.03 135.00 128.96 3fqa s PRO 2041Ca 0.27 1.67 -0.02 0.00 0.02 0.00 0.00 61.00 62.93 3fqa s PRO 2041Cb -0.03 -1.94 -0.04 0.00 0.02 0.00 0.00 34.50 32.51 3fqa s PRO 2041CO -0.15 -1.20 0.03 0.96 -0.33 0.00 0.00 177.00 176.31 3fqa s ILE 2042N -1.85 4.51 -0.26 2.83 -4.36 -1.26 -4.69 121.20 116.11 3fqa s ILE 2042Ca 0.73 -0.25 -0.16 0.00 -0.26 0.00 0.00 60.65 60.71 3fqa s ILE 2042Cb -0.26 -2.94 -0.03 0.00 1.25 0.00 0.00 42.46 40.47 3fqa s ILE 2042CO 0.35 0.54 0.41 -0.69 0.24 0.00 0.00 174.94 175.79 3fqa s VAL 2043N -0.97 5.15 0.45 8.37 1.01 -1.26 -5.06 120.40 128.09 3fqa s VAL 2043Ca 0.16 0.65 -0.22 0.00 0.00 0.00 0.00 61.98 62.58 3fqa s VAL 2043Cb -0.12 -3.73 -0.09 0.00 0.00 0.00 0.00 36.38 32.44 3fqa s VAL 2043CO 0.05 0.14 1.02 -0.36 0.00 0.00 0.00 175.10 175.96 3fqa s PHE 2044N 2.11 3.14 -0.11 5.22 2.99 -1.26 -1.89 117.98 128.17 3fqa s PHE 2044Ca 0.17 1.61 0.01 0.00 0.00 0.00 0.00 56.93 58.71 3fqa s PHE 2044Cb -0.16 -3.05 -0.07 0.00 0.00 0.00 0.00 43.02 39.75 3fqa s PHE 2044CO 0.10 -0.63 -0.10 -3.47 -0.00 0.00 0.00 175.22 171.12 3fqa n ASP 2045N -0.62 3.13 -3.46 1.36 -0.08 -0.15 -4.76 116.55 111.97 3fqa n ASP 2045Ca 0.08 -0.05 -0.11 0.00 -1.51 0.00 0.00 54.79 53.19 3fqa n ASP 2045Cb 0.52 -0.17 -0.02 0.00 2.34 0.00 0.00 41.12 43.79 3fqa n ASP 2045CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3fqa s ARG 2046N -2.21 1.22 0.03 -0.67 1.70 -1.22 -5.03 118.95 112.77 3fqa s ARG 2046Ca -0.14 -0.47 0.01 0.00 -0.47 0.00 0.00 55.73 54.66 3fqa s ARG 2046Cb 0.04 0.55 -0.02 0.00 -0.57 0.00 0.00 34.95 34.95 3fqa s ARG 2046CO 0.24 -0.54 -0.06 0.14 -1.08 0.00 0.00 175.30 174.01 3fqa s VAL 2047N -3.65 0.39 -0.28 4.99 -7.23 -1.26 -0.73 120.40 112.64 3fqa s VAL 2047Ca 0.02 -0.93 -0.20 0.00 -1.81 0.00 0.00 61.98 59.07 3fqa s VAL 2047Cb -0.01 -0.47 0.08 0.00 0.56 0.00 0.00 36.38 36.53 3fqa s VAL 2047CO -0.11 -0.36 0.72 -0.75 -0.31 0.00 0.00 175.10 174.29 3fqa s LYS 2048N -1.38 0.74 5.05 4.82 2.20 -0.67 -4.46 119.74 126.04 3fqa s LYS 2048Ca -0.10 1.11 0.00 0.00 -0.36 0.00 0.00 55.97 56.61 3fqa s LYS 2048Cb -0.09 0.24 0.00 0.00 -1.51 0.00 0.00 37.83 36.47 3fqa s LYS 2048CO -0.00 -0.13 0.00 -0.25 -0.36 0.00 0.00 175.35 174.61 3fqa n ASP 2049N 3.62 0.00 -0.79 1.43 8.00 -0.26 -0.92 116.55 127.62 3fqa n ASP 2049Ca -0.17 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.40 3fqa n ASP 2049Cb 0.57 0.00 0.18 0.00 -0.02 0.00 0.00 41.12 41.86 3fqa n ASP 2049CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fqa n ALA 2050N 10.17 2.24 -2.55 2.24 0.00 -1.26 -0.15 120.51 131.21 3fqa n ALA 2050Ca 0.00 -1.14 -0.24 0.00 0.00 0.00 0.00 53.44 52.06 3fqa n ALA 2050Cb 0.00 -0.55 -0.08 0.00 0.00 0.00 0.00 19.45 18.82 3fqa n ALA 2050CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3fqa s TYR 2051N -1.01 2.57 0.02 0.00 1.51 -0.10 -0.58 117.35 119.76 3fqa s TYR 2051Ca 0.28 -0.39 0.02 0.00 -1.01 0.00 0.00 57.07 55.97 3fqa s TYR 2051Cb 0.15 -1.43 -0.01 0.00 -0.11 0.00 0.00 41.96 40.56 3fqa s TYR 2051CO 0.20 0.50 -0.07 0.00 -1.11 0.00 0.00 175.55 175.07 3fqa s ALA 2052N -2.48 0.51 -0.05 3.71 0.00 -0.63 -1.67 121.76 121.15 3fqa s ALA 2052Ca 0.34 -0.50 0.06 0.00 0.00 0.00 0.00 51.96 51.86 3fqa s ALA 2052Cb -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 3fqa s ALA 2052CO 0.20 0.04 -0.25 -1.58 0.00 0.00 0.00 175.76 174.17 3fqa s TRP 2053N -0.76 2.37 0.87 0.00 0.51 0.09 -0.38 118.94 121.64 3fqa s TRP 2053Ca -0.04 -0.67 -0.11 0.00 -2.12 0.00 0.00 56.10 53.16 3fqa s TRP 2053Cb -0.06 -1.55 0.12 0.00 -0.81 0.00 0.00 33.47 31.16 3fqa s TRP 2053CO 0.00 -0.19 1.09 -0.51 -0.51 0.00 0.00 176.95 176.84 3fqa s ASP 2054N -0.22 3.61 0.00 2.95 1.01 0.27 -0.97 116.67 123.31 3fqa s ASP 2054Ca -0.02 1.65 0.30 0.00 0.71 0.00 0.00 52.55 55.20 3fqa s ASP 2054Cb -0.13 -2.32 1.44 0.00 1.01 0.00 0.00 42.92 42.92 3fqa s ASP 2054CO 0.03 -2.58 2.02 0.55 0.21 0.00 0.00 175.17 175.40 3fqa n VAL 2055N -3.86 0.00 0.69 -1.27 3.14 -0.79 -2.27 118.33 113.97 3fqa n VAL 2055Ca 0.08 -0.00 0.09 0.00 -2.96 0.00 0.00 64.34 61.55 3fqa n VAL 2055Cb 0.54 -0.49 0.08 0.00 -1.06 0.00 0.00 33.84 32.92 3fqa n VAL 2055CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 3fqa n ASP 2056N -1.34 2.55 0.00 6.55 8.00 -1.26 -4.86 116.55 126.19 3fqa n ASP 2056Ca 0.12 -1.76 0.00 0.00 0.71 0.00 0.00 54.79 53.86 3fqa n ASP 2056Cb 0.27 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 3fqa n ASP 2056CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fqa n GLY 2057N 1.01 0.71 3.74 0.44 0.00 -0.96 -5.05 105.19 105.09 3fqa n GLY 2057Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3fqa n GLY 2057CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fqa s ASN 2058N -2.98 7.28 -0.09 1.61 0.02 -1.26 -4.71 114.94 114.81 3fqa s ASN 2058Ca 0.00 2.14 -0.02 0.00 -1.02 0.00 0.00 52.86 53.96 3fqa s ASN 2058Cb 0.00 -2.61 -0.03 0.00 0.02 0.00 0.00 41.25 38.62 3fqa s ASN 2058CO 0.00 -0.18 0.02 -0.60 0.02 0.00 0.00 177.10 176.35 3fqa s ARG 2059N -0.72 3.03 0.11 -0.60 3.00 -1.26 0.95 118.95 123.45 3fqa s ARG 2059Ca 0.48 -0.38 0.05 0.00 -1.00 0.00 0.00 55.73 54.87 3fqa s ARG 2059Cb -0.30 -2.83 -0.04 0.00 0.00 0.00 0.00 34.95 31.78 3fqa s ARG 2059CO 0.37 0.71 -0.12 0.71 0.00 0.00 0.00 175.30 176.96 3fqa s TYR 2060N -0.91 1.24 -0.34 5.12 1.51 0.49 -4.72 117.35 119.74 3fqa s TYR 2060Ca 0.14 -0.60 -0.17 0.00 -1.01 0.00 0.00 57.07 55.43 3fqa s TYR 2060Cb -0.11 -0.66 -0.01 0.00 -0.11 0.00 0.00 41.96 41.07 3fqa s TYR 2060CO 0.03 0.08 0.46 0.42 -1.11 0.00 0.00 175.55 175.42 3fqa s ILE 2061N -2.24 5.08 -0.14 2.71 1.01 -0.49 -1.60 121.20 125.52 3fqa s ILE 2061Ca 0.07 0.25 -0.27 0.00 0.00 0.00 0.00 60.65 60.70 3fqa s ILE 2061Cb -0.04 -3.90 -0.01 0.00 0.01 0.00 0.00 42.46 38.51 3fqa s ILE 2061CO 0.02 -0.16 0.89 -0.62 0.00 0.00 0.00 174.94 175.07 3fqa s ASP 2062N 1.74 7.07 -0.10 3.58 3.68 0.25 -1.45 116.67 131.44 3fqa s ASP 2062Ca 0.16 1.31 0.14 0.00 2.13 0.00 0.00 52.55 56.29 3fqa s ASP 2062Cb -0.16 -2.49 0.31 0.00 -1.45 0.00 0.00 42.92 39.14 3fqa s ASP 2062CO 0.12 -0.40 1.22 -1.22 0.13 0.00 0.00 175.17 175.02 3fqa n TYR 2063N 5.08 0.36 -0.07 -5.34 4.01 -0.28 -4.53 117.16 116.40 3fqa n TYR 2063Ca 0.06 -0.80 -0.08 0.00 -0.16 0.00 0.00 57.90 56.92 3fqa n TYR 2063Cb 0.49 -0.16 -0.08 0.00 -0.31 0.00 0.00 39.34 39.27 3fqa n TYR 2063CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3fqa n VAL 2064N -0.70 0.85 -3.92 -0.72 0.31 -1.26 -0.63 118.33 112.27 3fqa n VAL 2064Ca 0.14 -0.43 -0.29 0.00 -0.01 0.00 0.00 64.34 63.74 3fqa n VAL 2064Cb 0.62 -0.84 -0.01 0.00 -0.91 0.00 0.00 33.84 32.70 3fqa n VAL 2064CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fqa n GLY 2065N 2.48 -0.48 3.18 2.92 0.00 -1.26 -0.51 105.19 111.52 3fqa n GLY 2065Ca -0.23 0.25 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 3fqa n GLY 2065CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3fqa n THR 2066N -4.42 -0.49 -2.42 2.61 5.66 -1.26 -1.34 114.28 112.63 3fqa n THR 2066Ca -0.24 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.69 3fqa n THR 2066Cb 0.65 -1.07 0.01 0.00 -1.55 0.00 0.00 70.33 68.37 3fqa n THR 2066CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 3fqa n TRP 2067N -3.46 -0.59 0.00 1.09 7.02 0.33 -4.34 117.44 117.49 3fqa n TRP 2067Ca -0.01 0.13 0.00 0.00 -1.02 0.00 0.00 57.50 56.60 3fqa n TRP 2067Cb 0.52 -2.17 0.00 0.00 -2.42 0.00 0.00 31.31 27.24 3fqa n TRP 2067CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3fqa n GLY 2068N -1.01 3.41 0.36 6.99 0.00 -0.45 -5.00 105.19 109.48 3fqa n GLY 2068Ca -0.05 -1.04 0.08 0.00 0.00 0.00 0.00 46.02 45.01 3fqa n GLY 2068CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fqa h PRO 2069N 0.00 0.93 -2.03 1.61 0.11 -1.75 -3.30 132.00 127.57 3fqa h PRO 2069Ca 0.00 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.01 3fqa h PRO 2069Cb 0.00 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 30.88 3fqa h PRO 2069CO 0.00 0.62 -0.08 0.00 -0.21 0.00 0.00 178.00 178.32 3fqa n ALA 2070N -2.35 4.31 0.25 -0.75 0.00 -1.17 -4.52 120.51 116.28 3fqa n ALA 2070Ca 0.19 -0.46 0.07 0.00 0.00 0.00 0.00 53.44 53.25 3fqa n ALA 2070Cb 0.38 -1.45 0.60 0.00 0.00 0.00 0.00 19.45 18.98 3fqa n ALA 2070CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3fqa h ILE 2071N 1.39 1.01 -0.09 0.00 2.10 -1.86 -0.68 117.51 119.38 3fqa h ILE 2071Ca 0.05 -0.32 0.00 0.00 1.08 0.00 0.00 64.86 65.67 3fqa h ILE 2071Cb 1.02 1.17 0.00 0.00 -1.09 0.00 0.00 36.82 37.93 3fqa h ILE 2071CO 0.07 0.09 0.00 0.00 -1.08 0.00 0.00 178.15 177.23 3fqa n GLY 2073N 1.16 2.35 3.77 0.00 0.00 -0.26 -4.28 105.19 107.94 3fqa n GLY 2073Ca 0.18 -1.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.02 3fqa n GLY 2073CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fqa s HIS 2074N -2.40 2.83 -1.44 1.61 3.76 0.79 -3.85 115.29 116.59 3fqa s HIS 2074Ca 0.00 1.54 -0.08 0.00 -0.15 0.00 0.00 55.06 56.37 3fqa s HIS 2074Cb 0.00 -3.35 0.01 0.00 1.11 0.00 0.00 32.58 30.35 3fqa s HIS 2074CO 0.00 -1.50 0.24 0.00 -0.85 0.00 0.00 174.74 172.63 3fqa n ALA 2075N -0.69 -2.16 -1.72 -1.40 0.00 -1.26 -1.11 120.51 112.17 3fqa n ALA 2075Ca 0.08 -0.43 -0.42 0.00 0.00 0.00 0.00 53.44 52.67 3fqa n ALA 2075Cb 0.49 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.49 3fqa n ALA 2075CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3fqa n HIS 2076N -4.65 2.73 -0.35 0.00 -0.00 -1.25 -4.77 115.22 106.93 3fqa n HIS 2076Ca -0.27 0.07 0.13 0.00 -0.00 0.00 0.00 57.72 57.65 3fqa n HIS 2076Cb 0.66 -2.66 0.33 0.00 -0.00 0.00 0.00 29.99 28.32 3fqa n HIS 2076CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3fqa h PRO 2077N 6.52 0.73 -0.00 1.57 0.11 -1.96 -0.61 132.00 138.37 3fqa h PRO 2077Ca -0.44 -0.04 -0.19 0.00 0.11 0.00 0.00 66.00 65.44 3fqa h PRO 2077Cb 1.21 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 3fqa h PRO 2077CO 0.94 0.49 -0.84 0.93 -0.21 0.00 0.00 178.00 179.30 3fqa h GLU 2078N 0.76 0.14 -0.09 1.05 5.08 -1.99 -1.57 114.58 117.96 3fqa h GLU 2078Ca 0.58 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.74 3fqa h GLU 2078Cb 0.92 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 3fqa h GLU 2078CO -0.38 0.90 -0.15 0.28 -1.00 0.00 0.00 179.01 178.66 3fqa h VAL 2079N 0.08 1.39 -0.23 3.13 2.07 -1.75 -2.06 116.25 118.88 3fqa h VAL 2079Ca -0.03 -1.41 0.01 0.00 0.82 0.00 0.00 66.70 66.09 3fqa h VAL 2079Cb 1.46 2.12 -0.02 0.00 -1.52 0.00 0.00 31.29 33.33 3fqa h VAL 2079CO 0.12 0.40 0.11 0.40 0.02 0.00 0.00 177.57 178.62 3fqa h ILE 2080N -0.20 0.99 -0.61 4.57 1.08 -1.17 -1.14 117.51 121.02 3fqa h ILE 2080Ca 0.01 -0.08 0.04 0.00 -0.39 0.00 0.00 64.86 64.43 3fqa h ILE 2080Cb 0.71 0.73 -0.04 0.00 -3.07 0.00 0.00 36.82 35.15 3fqa h ILE 2080CO 0.03 0.04 0.36 -0.08 -0.69 0.00 0.00 178.15 177.82 3fqa h GLU 2081N 0.24 0.68 -0.26 2.37 4.57 -1.32 -0.32 114.58 120.54 3fqa h GLU 2081Ca 0.09 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.18 3fqa h GLU 2081Cb 0.03 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.45 3fqa h GLU 2081CO -0.07 0.45 -0.09 0.00 -1.18 0.00 0.00 179.01 178.12 3fqa h ALA 2082N 1.29 1.36 -0.22 2.92 0.00 -0.99 -2.57 119.26 121.05 3fqa h ALA 2082Ca 0.26 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 3fqa h ALA 2082Cb 0.08 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.75 3fqa h ALA 2082CO -0.13 0.43 -0.65 -0.07 0.00 0.00 0.00 179.25 178.83 3fqa h LEU 2083N 0.39 0.95 -0.75 0.00 3.38 -0.43 -2.16 115.31 116.69 3fqa h LEU 2083Ca 0.08 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 3fqa h LEU 2083Cb 0.41 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 3fqa h LEU 2083CO 0.02 1.37 0.44 0.11 0.09 0.00 0.00 178.44 180.47 3fqa h LYS 2084N 0.58 1.02 -0.25 1.13 1.57 -0.83 -1.21 116.57 118.58 3fqa h LYS 2084Ca -0.02 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.60 3fqa h LYS 2084Cb 1.27 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 3fqa h LYS 2084CO 0.14 0.73 -0.07 0.28 -0.57 0.00 0.00 179.45 179.96 3fqa h VAL 2085N 1.03 1.29 -0.59 0.50 2.07 -1.48 -3.27 116.25 115.78 3fqa h VAL 2085Ca 0.27 -1.08 -0.05 0.00 0.82 0.00 0.00 66.70 66.66 3fqa h VAL 2085Cb -0.02 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 3fqa h VAL 2085CO -0.05 0.34 0.18 0.00 0.02 0.00 0.00 177.57 178.06 3fqa h ALA 2086N 0.76 0.77 0.00 1.67 0.00 -1.15 -2.92 119.26 118.39 3fqa h ALA 2086Ca 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3fqa h ALA 2086Cb 0.54 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3fqa h ALA 2086CO 0.03 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.72 3fqa n MET 2087N -4.40 0.08 0.26 0.00 0.00 -0.48 -1.12 117.12 111.46 3fqa n MET 2087Ca 0.03 0.43 0.13 0.00 0.00 0.00 0.00 57.70 58.30 3fqa n MET 2087Cb 0.21 -1.69 0.68 0.00 0.00 0.00 0.00 33.22 32.42 3fqa n MET 2087CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 3fqa h GLU 2088N 0.00 0.00 -0.03 3.17 4.57 -1.59 -1.58 114.58 119.12 3fqa h GLU 2088Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3fqa h GLU 2088Cb 0.17 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 3fqa h GLU 2088CO 0.00 0.13 0.00 1.63 -1.18 0.00 0.00 179.01 179.59 3fqa n LYS 2089N -3.45 1.70 0.00 1.92 5.02 -0.28 -5.03 118.16 118.05 3fqa n LYS 2089Ca -0.01 -1.02 0.00 0.00 -2.02 0.00 0.00 58.31 55.26 3fqa n LYS 2089Cb 0.29 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 3fqa n LYS 2089CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fqa n GLY 2090N 1.18 2.87 0.10 0.72 0.00 -0.59 -4.95 105.19 104.52 3fqa n GLY 2090Ca 0.19 -1.71 0.02 0.00 0.00 0.00 0.00 46.02 44.52 3fqa n GLY 2090CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fqa n THR 2091N 0.43 1.07 -3.76 2.61 -2.24 -1.26 -4.59 114.28 106.54 3fqa n THR 2091Ca 0.00 -0.66 -0.13 0.00 -2.27 0.00 0.00 64.05 60.99 3fqa n THR 2091Cb 0.00 -0.66 -0.11 0.00 -2.10 0.00 0.00 70.33 67.46 3fqa n THR 2091CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3fqa s SER 2092N -5.69 -0.32 -0.18 3.42 0.15 -1.26 -4.05 113.70 105.77 3fqa s SER 2092Ca -0.02 0.61 -0.02 0.00 0.70 0.00 0.00 55.95 57.22 3fqa s SER 2092Cb 0.09 0.59 -0.10 0.00 -1.71 0.00 0.00 66.02 64.89 3fqa s SER 2092CO 0.81 -0.12 -0.18 0.49 1.20 0.00 0.00 173.24 175.43 3fqa n PHE 2093N 3.23 0.00 -0.95 3.44 3.72 -1.26 -5.00 117.46 120.64 3fqa n PHE 2093Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 3fqa n PHE 2093Cb 0.57 -0.66 0.00 0.00 -0.94 0.00 0.00 39.48 38.44 3fqa n PHE 2093CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fqa n GLY 2094N 2.39 0.48 3.33 1.37 0.00 -1.26 -5.00 105.19 106.51 3fqa n GLY 2094Ca -0.33 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 3fqa n GLY 2094CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fqa s ALA 2095N -2.00 0.13 0.58 4.61 0.00 -1.26 -5.15 121.76 118.67 3fqa s ALA 2095Ca 0.00 -0.99 -0.20 0.00 0.00 0.00 0.00 51.96 50.77 3fqa s ALA 2095Cb 0.00 0.91 -0.04 0.00 0.00 0.00 0.00 23.12 23.99 3fqa s ALA 2095CO 0.00 -0.65 1.29 -2.14 0.00 0.00 0.00 175.76 174.27 3fqa s PRO 2096N -3.99 2.99 0.03 0.00 0.02 -1.26 -5.04 135.00 127.74 3fqa s PRO 2096Ca 0.20 2.06 -0.00 0.00 0.02 0.00 0.00 61.00 63.27 3fqa s PRO 2096Cb 0.04 -2.08 -0.02 0.00 0.02 0.00 0.00 34.50 32.45 3fqa s PRO 2096CO 0.02 -1.26 -0.02 0.00 -0.33 0.00 0.00 177.00 175.40 3fqa h ALA 2098N 4.28 1.90 0.00 0.00 0.00 -1.99 -2.33 119.26 121.13 3fqa h ALA 2098Ca -0.32 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 3fqa h ALA 2098Cb 1.19 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 3fqa h ALA 2098CO 0.47 -0.08 -0.00 -0.07 0.00 0.00 0.00 179.25 179.57 3fqa h LEU 2099N 0.59 0.00 -0.64 0.00 3.38 -1.96 -1.45 115.31 115.22 3fqa h LEU 2099Ca 0.36 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.23 3fqa h LEU 2099Cb 0.58 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 3fqa h LEU 2099CO -0.13 0.00 0.03 -0.33 0.09 0.00 0.00 178.44 178.10 3fqa h GLU 2100N 0.00 1.09 -0.46 1.13 5.08 -1.73 -2.31 114.58 117.37 3fqa h GLU 2100Ca -0.00 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 3fqa h GLU 2100Cb 0.00 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3fqa h GLU 2100CO 0.00 1.04 0.23 -0.91 -1.00 0.00 0.00 179.01 178.37 3fqa h ASN 2101N 1.00 0.60 0.53 1.42 4.21 -1.40 -1.65 115.58 120.29 3fqa h ASN 2101Ca 0.18 -0.12 -0.03 0.00 1.21 0.00 0.00 56.30 57.55 3fqa h ASN 2101Cb 0.53 -0.15 0.01 0.00 -1.12 0.00 0.00 38.32 37.59 3fqa h ASN 2101CO 0.03 0.54 -0.26 0.58 -1.29 0.00 0.00 177.43 177.04 3fqa h VAL 2102N 0.61 0.48 -0.82 2.81 2.07 -1.28 -1.20 116.25 118.91 3fqa h VAL 2102Ca 0.16 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.66 3fqa h VAL 2102Cb 0.10 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 3fqa h VAL 2102CO -0.02 0.00 0.43 0.25 0.02 0.00 0.00 177.57 178.25 3fqa h LEU 2103N -0.72 1.04 -0.51 2.57 6.46 -1.44 -1.35 115.31 121.36 3fqa h LEU 2103Ca -0.07 -0.11 0.03 0.00 -0.12 0.00 0.00 57.88 57.61 3fqa h LEU 2103Cb 0.55 -0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 40.18 3fqa h LEU 2103CO 0.12 0.85 0.29 0.00 -0.62 0.00 0.00 178.44 179.08 3fqa h ALA 2104N 1.23 0.66 -0.62 1.25 0.00 -1.18 0.44 119.26 121.05 3fqa h ALA 2104Ca 0.28 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 3fqa h ALA 2104Cb 0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3fqa h ALA 2104CO -0.04 -0.03 0.16 1.49 0.00 0.00 0.00 179.25 180.83 3fqa h GLU 2105N 0.57 0.98 -0.81 0.00 4.81 -0.84 -1.27 114.58 118.02 3fqa h GLU 2105Ca 0.21 -0.23 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 3fqa h GLU 2105Cb 0.07 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 3fqa h GLU 2105CO -0.12 0.89 0.35 0.52 -0.73 0.00 0.00 179.01 179.93 3fqa h MET 2106N 0.90 1.18 -0.43 1.92 2.86 -0.62 -1.89 114.93 118.85 3fqa h MET 2106Ca 0.19 -0.19 -0.15 0.00 -2.06 0.00 0.00 59.70 57.49 3fqa h MET 2106Cb 0.34 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 3fqa h MET 2106CO 0.00 0.93 -0.31 0.28 1.06 0.00 0.00 176.91 178.87 3fqa h VAL 2107N 1.16 1.27 -0.69 -2.22 2.07 -0.63 -1.96 116.25 115.25 3fqa h VAL 2107Ca 0.27 -1.48 -0.03 0.00 0.82 0.00 0.00 66.70 66.28 3fqa h VAL 2107Cb 0.17 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 3fqa h VAL 2107CO -0.03 0.50 0.32 0.78 0.02 0.00 0.00 177.57 179.16 3fqa h ASN 2108N 0.81 0.91 -0.10 0.57 2.35 -0.96 -0.57 115.58 118.58 3fqa h ASN 2108Ca 0.08 -0.14 -0.11 0.00 -0.55 0.00 0.00 56.30 55.58 3fqa h ASN 2108Cb 0.90 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.02 3fqa h ASN 2108CO 0.08 0.80 -0.30 0.44 -1.65 0.00 0.00 177.43 176.81 3fqa h ASP 2109N 0.96 0.59 -0.05 5.81 3.32 -1.29 -3.30 116.42 122.45 3fqa h ASP 2109Ca 0.23 -0.22 -0.16 0.00 0.02 0.00 0.00 57.03 56.90 3fqa h ASP 2109Cb 0.14 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 39.54 3fqa h ASP 2109CO -0.03 0.86 -0.59 0.00 -1.72 0.00 0.00 179.24 177.76 3fqa h ALA 2110N 1.18 0.14 -2.72 3.45 0.00 -0.99 -3.44 119.26 116.89 3fqa h ALA 2110Ca 0.06 -0.55 -0.68 0.00 0.00 0.00 0.00 54.91 53.75 3fqa h ALA 2110Cb 0.76 0.01 -0.19 0.00 0.00 0.00 0.00 17.79 18.38 3fqa h ALA 2110CO 0.06 0.40 -0.48 0.08 0.00 0.00 0.00 179.25 179.31 3fqa s VAL 2111N -3.45 5.28 0.10 0.00 1.01 -0.25 -4.03 120.40 119.06 3fqa s VAL 2111Ca -0.13 -0.22 -0.20 0.00 0.00 0.00 0.00 61.98 61.44 3fqa s VAL 2111Cb 0.05 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 3fqa s VAL 2111CO 0.83 -0.01 1.35 -0.65 0.00 0.00 0.00 175.10 176.62 3fqa h PRO 2112N 8.49 -0.01 0.00 2.72 0.11 -1.83 -1.46 132.00 140.01 3fqa h PRO 2112Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3fqa h PRO 2112Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3fqa h PRO 2112CO 0.63 -0.01 0.00 -1.13 -0.21 0.00 0.00 178.00 177.28 3fqa n SER 2113N -4.44 0.02 -4.55 -2.05 3.41 -1.26 -4.70 113.62 100.05 3fqa n SER 2113Ca 0.01 0.51 -0.42 0.00 -0.26 0.00 0.00 58.87 58.71 3fqa n SER 2113Cb 0.17 -0.51 -0.07 0.00 -0.26 0.00 0.00 64.21 63.54 3fqa n SER 2113CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3fqa s ILE 2114N -3.01 4.89 -0.02 -1.33 1.01 -0.55 -3.08 121.20 119.10 3fqa s ILE 2114Ca 0.05 0.38 0.12 0.00 0.00 0.00 0.00 60.65 61.20 3fqa s ILE 2114Cb 0.08 -4.10 -0.19 0.00 0.01 0.00 0.00 42.46 38.26 3fqa s ILE 2114CO 0.22 -0.40 0.26 -0.62 0.00 0.00 0.00 174.94 174.40 3fqa n GLU 2115N 6.07 0.39 -3.75 2.79 1.02 -0.66 -4.59 120.64 121.91 3fqa n GLU 2115Ca -0.02 -0.11 -0.12 0.00 -0.02 0.00 0.00 57.16 56.89 3fqa n GLU 2115Cb 0.48 -1.28 -0.12 0.00 -0.02 0.00 0.00 31.44 30.51 3fqa n GLU 2115CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 3fqa s MET 2116N -2.82 0.32 0.16 3.49 0.00 -1.19 -4.88 119.30 114.38 3fqa s MET 2116Ca -0.04 0.50 0.09 0.00 0.00 0.00 0.00 55.69 56.24 3fqa s MET 2116Cb 0.08 0.07 -0.04 0.00 0.00 0.00 0.00 34.83 34.94 3fqa s MET 2116CO 0.50 -0.09 -0.20 0.08 0.00 0.00 0.00 175.02 175.31 3fqa s VAL 2117N 0.61 1.91 -0.07 10.11 1.01 -1.26 -2.71 120.40 130.00 3fqa s VAL 2117Ca -0.04 -1.90 -0.00 0.00 0.00 0.00 0.00 61.98 60.04 3fqa s VAL 2117Cb -0.05 -1.87 0.03 0.00 0.00 0.00 0.00 36.38 34.49 3fqa s VAL 2117CO -0.04 -0.25 -0.03 -0.60 0.00 0.00 0.00 175.10 174.19 3fqa s ARG 2118N -2.68 0.82 0.11 2.72 6.06 -0.65 -5.01 118.95 120.33 3fqa s ARG 2118Ca 0.16 -0.02 -0.21 0.00 -2.50 0.00 0.00 55.73 53.16 3fqa s ARG 2118Cb -0.07 -1.02 -0.07 0.00 0.06 0.00 0.00 34.95 33.85 3fqa s ARG 2118CO 0.07 -0.22 0.64 -0.06 -2.50 0.00 0.00 175.30 173.23 3fqa s PHE 2119N 1.57 3.82 0.00 5.12 0.40 -1.26 -1.89 117.98 125.74 3fqa s PHE 2119Ca -0.01 1.39 0.00 0.00 -0.60 0.00 0.00 56.93 57.71 3fqa s PHE 2119Cb -0.13 -2.58 0.00 0.00 0.51 0.00 0.00 43.02 40.82 3fqa s PHE 2119CO -0.04 0.54 0.00 1.33 0.70 0.00 0.00 175.22 177.76 3fqa n VAL 2120N 1.58 0.00 0.75 -0.44 0.24 0.09 -4.61 118.33 115.93 3fqa n VAL 2120Ca -0.08 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.30 3fqa n VAL 2120Cb 0.50 0.00 0.03 0.00 -1.47 0.00 0.00 33.84 32.90 3fqa n VAL 2120CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3fqa n ASN 2121N -1.95 2.00 -3.72 -1.34 4.13 -1.26 -1.13 115.26 111.99 3fqa n ASN 2121Ca 0.00 -1.50 -0.04 0.00 1.68 0.00 0.00 54.58 54.72 3fqa n ASN 2121Cb 0.00 0.29 -0.01 0.00 -1.54 0.00 0.00 39.78 38.51 3fqa n ASN 2121CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3fqa s SER 2122N -1.79 -0.20 0.34 6.41 1.04 -1.26 -2.66 113.70 115.59 3fqa s SER 2122Ca 0.17 -0.34 0.08 0.00 0.48 0.00 0.00 55.95 56.33 3fqa s SER 2122Cb 0.14 0.47 0.63 0.00 0.10 0.00 0.00 66.02 67.37 3fqa s SER 2122CO 0.35 -0.86 1.82 1.23 0.98 0.00 0.00 173.24 176.77 3fqa h GLY 2123N 2.00 0.28 0.95 7.32 0.00 -1.83 -2.20 103.07 109.60 3fqa h GLY 2123Ca -0.24 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 3fqa h GLY 2123CO 0.26 0.19 0.13 -0.84 0.00 0.00 0.00 176.54 176.29 3fqa h THR 2124N 0.24 1.23 -0.54 4.70 2.02 -1.95 -0.53 112.91 118.07 3fqa h THR 2124Ca 0.04 -0.76 -0.07 0.00 0.77 0.00 0.00 66.41 66.39 3fqa h THR 2124Cb 0.55 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 3fqa h THR 2124CO 0.04 0.27 0.07 -0.33 0.37 0.00 0.00 175.52 175.94 3fqa h GLU 2125N 0.59 0.91 -0.21 6.66 5.08 -1.89 -1.75 114.58 123.97 3fqa h GLU 2125Ca 0.14 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3fqa h GLU 2125Cb 0.28 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3fqa h GLU 2125CO -0.00 0.89 0.11 0.00 -1.00 0.00 0.00 179.01 179.01 3fqa h ALA 2126N 0.98 0.27 -0.39 3.43 0.00 -1.14 -0.99 119.26 121.43 3fqa h ALA 2126Ca 0.16 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3fqa h ALA 2126Cb 0.43 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3fqa h ALA 2126CO 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.08 3fqa h MET 2128N 0.60 0.82 -0.41 0.00 -1.53 -1.08 -1.79 114.93 111.53 3fqa h MET 2128Ca 0.12 -0.25 -0.12 0.00 -3.44 0.00 0.00 59.70 56.01 3fqa h MET 2128Cb 0.38 -0.08 -0.01 0.00 -0.55 0.00 0.00 31.60 31.34 3fqa h MET 2128CO 0.01 0.86 -0.20 0.00 0.14 0.00 0.00 176.91 177.72 3fqa h ALA 2129N 0.93 0.58 0.00 0.39 0.00 -0.77 -2.89 119.26 117.49 3fqa h ALA 2129Ca 0.14 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 3fqa h ALA 2129Cb 0.48 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3fqa h ALA 2129CO 0.02 0.54 -0.30 0.28 0.00 0.00 0.00 179.25 179.79 3fqa h VAL 2130N 0.67 1.16 0.07 0.00 2.07 -0.85 -0.29 116.25 119.08 3fqa h VAL 2130Ca 0.09 -1.03 -0.00 0.00 0.82 0.00 0.00 66.70 66.58 3fqa h VAL 2130Cb 0.76 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 3fqa h VAL 2130CO 0.06 0.29 -0.03 -0.07 0.02 0.00 0.00 177.57 177.84 3fqa h LEU 2131N 0.00 -0.08 -0.99 2.57 3.38 -1.25 -0.79 115.31 118.15 3fqa h LEU 2131Ca -0.00 -0.42 0.08 0.00 0.09 0.00 0.00 57.88 57.63 3fqa h LEU 2131Cb 0.54 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.24 3fqa h LEU 2131CO 0.04 0.39 0.63 -0.09 0.09 0.00 0.00 178.44 179.50 3fqa h ARG 2132N -0.57 1.07 -0.58 1.13 2.43 -1.29 -1.73 114.38 114.84 3fqa h ARG 2132Ca -0.01 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.01 3fqa h ARG 2132Cb 0.49 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 3fqa h ARG 2132CO 0.02 0.71 0.02 1.25 -1.51 0.00 0.00 179.97 180.46 3fqa h LEU 2133N 1.10 0.98 -0.48 3.80 5.85 -0.99 -1.00 115.31 124.58 3fqa h LEU 2133Ca 0.44 -0.30 0.06 0.00 0.84 0.00 0.00 57.88 58.93 3fqa h LEU 2133Cb 0.25 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 3fqa h LEU 2133CO -0.20 1.04 0.17 0.24 -0.34 0.00 0.00 178.44 179.34 3fqa h MET 2134N 0.90 0.33 -0.24 1.25 2.86 -0.25 -1.45 114.93 118.33 3fqa h MET 2134Ca 0.17 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.70 3fqa h MET 2134Cb 0.52 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 3fqa h MET 2134CO 0.03 0.22 -0.21 0.00 1.06 0.00 0.00 176.91 178.00 3fqa h ARG 2135N 0.34 0.56 -0.76 1.72 3.08 -1.28 -2.55 114.38 115.49 3fqa h ARG 2135Ca 0.23 -0.29 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 3fqa h ARG 2135Cb 0.24 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.26 3fqa h ARG 2135CO -0.24 0.87 0.38 0.00 -1.07 0.00 0.00 179.97 179.92 3fqa h ALA 2136N 0.68 1.25 -0.02 0.04 0.00 -0.98 0.28 119.26 120.51 3fqa h ALA 2136Ca 0.04 -0.14 -0.23 0.00 0.00 0.00 0.00 54.91 54.59 3fqa h ALA 2136Cb 0.76 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.25 3fqa h ALA 2136CO 0.05 0.59 -0.92 -0.92 0.00 0.00 0.00 179.25 178.05 3fqa h TYR 2137N 1.07 0.70 0.00 0.00 3.20 -1.29 -3.32 116.97 117.32 3fqa h TYR 2137Ca 0.26 -0.37 -0.14 0.00 3.14 0.00 0.00 58.73 61.63 3fqa h TYR 2137Cb 0.08 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 3fqa h TYR 2137CO 0.01 1.18 -1.42 0.25 -1.64 0.00 0.00 178.16 176.54 3fqa n THR 2138N -3.79 1.02 -0.99 1.81 -2.24 -0.96 -4.96 114.28 104.18 3fqa n THR 2138Ca -0.07 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 3fqa n THR 2138Cb 0.82 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 3fqa n THR 2138CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fqa n GLY 2139N 1.37 0.58 3.73 3.38 0.00 0.98 -5.03 105.19 110.20 3fqa n GLY 2139Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 3fqa n GLY 2139CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fqa s ARG 2140N -0.01 2.63 -0.12 1.61 0.52 -1.22 -5.04 118.95 117.32 3fqa s ARG 2140Ca 0.00 -1.12 0.15 0.00 -0.52 0.00 0.00 55.73 54.24 3fqa s ARG 2140Cb 0.00 -2.43 -0.22 0.00 0.52 0.00 0.00 34.95 32.83 3fqa s ARG 2140CO 0.00 0.42 0.15 -0.25 0.02 0.00 0.00 175.30 175.65 3fqa n ASP 2141N -0.66 1.10 -4.77 0.23 8.00 -1.24 -4.41 116.55 114.81 3fqa n ASP 2141Ca -0.08 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.03 3fqa n ASP 2141Cb 0.57 1.16 -0.06 0.00 -0.02 0.00 0.00 41.12 42.77 3fqa n ASP 2141CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3fqa s LYS 2142N -2.63 4.72 0.05 -1.24 1.02 -0.55 -4.81 119.74 116.30 3fqa s LYS 2142Ca -0.07 1.37 0.06 0.00 0.02 0.00 0.00 55.97 57.35 3fqa s LYS 2142Cb 0.07 -3.13 -0.03 0.00 -0.52 0.00 0.00 37.83 34.22 3fqa s LYS 2142CO 0.67 0.45 -0.17 0.42 -0.92 0.00 0.00 175.35 175.80 3fqa s ILE 2143N -1.31 1.36 -0.16 2.17 -1.09 -0.10 -0.29 121.20 121.78 3fqa s ILE 2143Ca 0.43 -1.18 -0.03 0.00 -2.23 0.00 0.00 60.65 57.64 3fqa s ILE 2143Cb -0.23 -1.23 -0.02 0.00 -1.58 0.00 0.00 42.46 39.40 3fqa s ILE 2143CO 0.28 0.02 -0.06 -0.63 -1.23 0.00 0.00 174.94 173.33 3fqa s ILE 2144N -0.94 3.61 0.20 2.92 1.01 -0.79 0.77 121.20 127.98 3fqa s ILE 2144Ca 0.04 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.27 3fqa s ILE 2144Cb -0.09 -2.58 -0.05 0.00 0.01 0.00 0.00 42.46 39.76 3fqa s ILE 2144CO 0.02 0.49 -0.03 -1.59 0.00 0.00 0.00 174.94 173.83 3fqa s LYS 2145N 0.54 1.22 0.08 2.79 -2.85 0.39 -1.84 119.74 120.08 3fqa s LYS 2145Ca -0.04 -1.59 0.03 0.00 -1.00 0.00 0.00 55.97 53.36 3fqa s LYS 2145Cb -0.15 -0.55 -0.04 0.00 -2.06 0.00 0.00 37.83 35.03 3fqa s LYS 2145CO 0.03 -0.06 0.08 -0.06 0.10 0.00 0.00 175.35 175.44 3fqa s PHE 2146N -3.44 3.19 0.15 1.78 0.08 -1.26 -2.41 117.98 116.07 3fqa s PHE 2146Ca 0.25 0.08 -0.31 0.00 0.12 0.00 0.00 56.93 57.06 3fqa s PHE 2146Cb 0.05 -1.62 -0.09 0.00 -0.57 0.00 0.00 43.02 40.78 3fqa s PHE 2146CO 0.06 0.52 1.50 -1.21 -0.10 0.00 0.00 175.22 175.99 3fqa s GLU 2147N -2.35 4.25 0.00 0.44 2.02 -0.92 -2.54 118.70 119.60 3fqa s GLU 2147Ca 0.29 2.26 0.00 0.00 0.02 0.00 0.00 54.97 57.54 3fqa s GLU 2147Cb -0.12 -3.18 0.00 0.00 0.10 0.00 0.00 34.13 30.92 3fqa s GLU 2147CO 0.22 -0.54 0.00 0.41 0.02 0.00 0.00 175.26 175.36 3fqa n GLY 2148N 3.62 0.45 3.91 -1.39 0.00 -0.92 -4.44 105.19 106.42 3fqa n GLY 2148Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 3fqa n GLY 2148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fqa s TYR 2150N -1.94 1.55 -0.25 0.00 5.04 -1.26 -2.00 117.35 118.49 3fqa s TYR 2150Ca 0.41 -0.60 0.16 0.00 -2.44 0.00 0.00 57.07 54.60 3fqa s TYR 2150Cb -0.11 -1.14 0.48 0.00 0.35 0.00 0.00 41.96 41.54 3fqa s TYR 2150CO 0.29 -0.32 1.15 0.72 -1.34 0.00 0.00 175.55 176.06 3fqa n HIS 2151N 3.91 1.66 0.00 4.97 8.25 -1.26 -4.97 115.22 127.78 3fqa n HIS 2151Ca -0.22 -2.01 0.00 0.00 -0.26 0.00 0.00 57.72 55.24 3fqa n HIS 2151Cb 0.52 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.36 3fqa n HIS 2151CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fqa n GLY 2152N -0.59 -1.75 2.40 -1.41 0.00 -1.26 -4.55 105.19 98.03 3fqa n GLY 2152Ca 0.22 -1.53 -0.40 0.00 0.00 0.00 0.00 46.02 44.31 3fqa n GLY 2152CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3fqa n HIS 2153N -1.32 2.63 -2.45 1.61 1.44 -1.26 -4.75 115.22 111.12 3fqa n HIS 2153Ca 0.00 -3.06 -0.43 0.00 -2.01 0.00 0.00 57.72 52.22 3fqa n HIS 2153Cb 0.00 -2.48 -0.02 0.00 0.12 0.00 0.00 29.99 27.61 3fqa n HIS 2153CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3fqa s ALA 2154N 2.18 3.48 0.00 1.59 0.00 -1.26 -4.92 121.76 122.84 3fqa s ALA 2154Ca 0.65 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.81 3fqa s ALA 2154Cb 0.17 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.58 3fqa s ALA 2154CO -0.07 -1.53 0.15 -0.25 0.00 0.00 0.00 175.76 174.06 3fqa n ASP 2155N 7.20 0.00 -3.41 0.00 9.92 -1.26 0.54 116.55 129.54 3fqa n ASP 2155Ca 0.14 0.15 -0.35 0.00 -0.53 0.00 0.00 54.79 54.20 3fqa n ASP 2155Cb 0.46 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.92 3fqa n ASP 2155CO 0.00 0.00 0.00 1.15 0.13 0.00 0.00 177.20 178.48 3fqa n MET 2156N -0.37 2.65 0.00 -1.24 0.00 -1.26 -2.85 117.12 114.05 3fqa n MET 2156Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 57.70 55.70 3fqa n MET 2156Cb 0.00 -2.82 0.00 0.00 0.00 0.00 0.00 33.22 30.40 3fqa n MET 2156CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 3fqa n PHE 2157N 5.00 0.00 -1.86 3.17 7.35 -0.96 -4.77 117.46 125.39 3fqa n PHE 2157Ca 0.58 0.00 -0.28 0.00 -0.76 0.00 0.00 57.45 56.99 3fqa n PHE 2157Cb 0.27 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.05 3fqa n PHE 2157CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 3fqa s LEU 2158N -0.26 3.16 -0.12 -2.13 1.98 0.19 -4.88 118.68 116.62 3fqa s LEU 2158Ca 0.00 0.01 -0.07 0.00 -2.89 0.00 0.00 54.13 51.18 3fqa s LEU 2158Cb 0.00 -2.54 0.04 0.00 0.66 0.00 0.00 46.19 44.35 3fqa s LEU 2158CO 0.00 -2.95 0.28 0.54 -1.89 0.00 0.00 176.35 172.33 3fqa s VAL 2159N 11.28 -0.03 -1.54 1.68 0.11 -1.26 -3.90 120.40 126.75 3fqa s VAL 2159Ca 0.79 0.10 -0.12 0.00 -2.93 0.00 0.00 61.98 59.81 3fqa s VAL 2159Cb -0.11 -0.42 0.09 0.00 -1.53 0.00 0.00 36.38 34.40 3fqa s VAL 2159CO 0.11 0.04 0.87 0.29 -3.33 0.00 0.00 175.10 173.08 3fqa n LYS 2160N 3.90 -4.81 -1.93 1.54 4.01 -1.21 -4.91 118.16 114.75 3fqa n LYS 2160Ca -0.22 0.54 -0.30 0.00 -0.51 0.00 0.00 58.31 57.82 3fqa n LYS 2160Cb 0.55 -5.30 0.03 0.00 -0.51 0.00 0.00 35.03 29.79 3fqa n LYS 2160CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3fqa s ALA 2161N -3.39 3.02 0.00 7.82 0.00 -1.23 -2.16 121.76 125.82 3fqa s ALA 2161Ca 0.56 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.27 3fqa s ALA 2161Cb -0.29 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 19.82 3fqa s ALA 2161CO 0.85 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 176.13 3fqa n GLY 2162N -2.85 0.58 7.00 0.00 0.00 -0.85 -3.82 105.19 105.26 3fqa n GLY 2162Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3fqa n GLY 2162CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fqa n SER 2163N 0.00 0.00 0.27 1.61 3.41 0.23 -0.75 113.62 118.40 3fqa n SER 2163Ca 0.00 0.00 0.18 0.00 -0.26 0.00 0.00 58.87 58.79 3fqa n SER 2163Cb 0.00 0.00 0.94 0.00 -0.26 0.00 0.00 64.21 64.89 3fqa n SER 2163CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3fqa h GLY 2164N 0.00 0.00 0.93 5.00 0.00 -1.92 -2.12 103.07 104.95 3fqa h GLY 2164Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3fqa h GLY 2164CO 0.00 0.00 -0.23 -2.08 0.00 0.00 0.00 176.54 174.23 3fqa h VAL 2165N 0.00 0.52 0.00 4.60 2.07 -1.21 -2.56 116.25 119.67 3fqa h VAL 2165Ca 0.04 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3fqa h VAL 2165Cb 0.31 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3fqa h VAL 2165CO -0.00 0.02 0.00 0.00 0.02 0.00 0.00 177.57 177.61 3fqa n ALA 2166N -2.42 1.96 -0.32 1.67 0.00 -0.94 -0.21 120.51 120.25 3fqa n ALA 2166Ca -0.12 -0.04 0.03 0.00 0.00 0.00 0.00 53.44 53.31 3fqa n ALA 2166Cb 0.29 -1.37 0.21 0.00 0.00 0.00 0.00 19.45 18.58 3fqa n ALA 2166CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3fqa h THR 2167N 0.00 1.10 -0.04 0.00 2.02 -0.96 -2.73 112.91 112.30 3fqa h THR 2167Ca 0.00 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.80 3fqa h THR 2167Cb 0.41 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 3fqa h THR 2167CO 0.00 0.20 0.00 0.00 0.37 0.00 0.00 175.52 176.09 3fqa n LEU 2168N -4.48 2.55 -0.13 2.58 -0.00 -1.21 -4.65 117.00 111.66 3fqa n LEU 2168Ca 0.14 -2.98 -0.02 0.00 -0.00 0.00 0.00 56.01 53.15 3fqa n LEU 2168Cb 0.17 -0.41 -0.01 0.00 -0.00 0.00 0.00 43.42 43.17 3fqa n LEU 2168CO 0.33 0.69 -0.02 0.61 -0.00 0.00 0.00 177.39 179.00 3fqa n GLY 2169N -1.20 0.51 3.76 1.47 0.00 -1.03 -4.99 105.19 103.70 3fqa n GLY 2169Ca 0.15 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 3fqa n GLY 2169CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3fqa s LEU 2170N -0.40 4.46 0.00 0.99 1.98 0.70 -4.94 118.68 121.48 3fqa s LEU 2170Ca 0.00 2.56 0.00 0.00 -2.89 0.00 0.00 54.13 53.80 3fqa s LEU 2170Cb 0.00 -3.64 0.00 0.00 0.66 0.00 0.00 46.19 43.21 3fqa s LEU 2170CO 0.00 -0.42 0.19 -0.81 -1.89 0.00 0.00 176.35 173.41 3fqa n PRO 2171N 1.02 0.00 -3.13 0.98 -0.04 -1.26 -4.02 135.00 128.56 3fqa n PRO 2171Ca 0.00 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 3fqa n PRO 2171Cb 0.43 -0.83 0.00 0.00 -0.04 0.00 0.00 33.50 33.05 3fqa n PRO 2171CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3fqa n SER 2172N -1.10 0.00 0.00 3.54 3.41 -1.26 -3.32 113.62 114.90 3fqa n SER 2172Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3fqa n SER 2172Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3fqa n SER 2172CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3fqa n SER 2173N 0.38 -0.28 -1.24 4.04 7.64 -1.25 -5.01 113.62 117.90 3fqa n SER 2173Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3fqa n SER 2173Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3fqa n SER 2173CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3fqa n PRO 2174N 0.00 3.38 0.00 1.43 -0.02 -1.26 -5.05 135.00 133.47 3fqa n PRO 2174Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3fqa n PRO 2174Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3fqa n PRO 2174CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fqa n GLY 2175N 3.79 1.96 3.71 -1.23 0.00 -1.26 -4.95 105.19 107.20 3fqa n GLY 2175Ca 0.00 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3fqa n GLY 2175CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3fqa s VAL 2176N 0.00 2.47 0.80 1.61 -7.23 -1.26 -4.96 120.40 111.82 3fqa s VAL 2176Ca 0.00 0.19 -0.14 0.00 -1.81 0.00 0.00 61.98 60.23 3fqa s VAL 2176Cb 0.00 -3.12 0.08 0.00 0.56 0.00 0.00 36.38 33.89 3fqa s VAL 2176CO 0.00 0.01 1.20 -2.65 -0.31 0.00 0.00 175.10 173.34 3fqa n PRO 2177N 4.74 0.24 0.25 4.82 -0.02 -1.26 -4.91 135.00 138.86 3fqa n PRO 2177Ca 0.16 0.16 0.13 0.00 -2.02 0.00 0.00 63.50 61.92 3fqa n PRO 2177Cb 0.38 -2.43 0.59 0.00 -0.02 0.00 0.00 33.50 32.01 3fqa n PRO 2177CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3fqa h LYS 2178N -0.82 0.00 -0.20 -0.52 6.56 -1.98 -2.92 116.57 116.69 3fqa h LYS 2178Ca -0.47 0.00 -0.20 0.00 -1.06 0.00 0.00 60.65 58.92 3fqa h LYS 2178Cb 1.30 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.97 3fqa h LYS 2178CO 0.46 0.15 -0.69 0.87 -2.06 0.00 0.00 179.45 178.18 3fqa h LYS 2179N 0.00 0.78 -0.17 3.15 1.57 -2.01 -3.09 116.57 116.81 3fqa h LYS 2179Ca -0.00 -0.58 -0.10 0.00 -1.87 0.00 0.00 60.65 58.10 3fqa h LYS 2179Cb 0.59 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 3fqa h LYS 2179CO 0.02 1.20 -0.34 1.79 -0.57 0.00 0.00 179.45 181.54 3fqa h THR 2180N 0.56 1.29 -0.17 -0.16 1.35 -1.89 -2.82 112.91 111.06 3fqa h THR 2180Ca -0.03 -1.41 0.00 0.00 -0.55 0.00 0.00 66.41 64.43 3fqa h THR 2180Cb 1.30 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 3fqa h THR 2180CO 0.14 0.43 0.00 0.35 -0.25 0.00 0.00 175.52 176.19 3fqa n THR 2181N -4.07 0.22 1.29 6.82 -2.24 -1.17 -3.71 114.28 111.42 3fqa n THR 2181Ca -0.01 -0.29 0.14 0.00 -2.27 0.00 0.00 64.05 61.62 3fqa n THR 2181Cb 0.45 0.20 0.66 0.00 -2.10 0.00 0.00 70.33 69.54 3fqa n THR 2181CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fqa n ALA 2182N 0.12 2.57 -0.66 6.98 0.00 -1.07 -3.04 120.51 125.41 3fqa n ALA 2182Ca 0.13 -0.17 0.07 0.00 0.00 0.00 0.00 53.44 53.47 3fqa n ALA 2182Cb 0.25 -1.43 0.36 0.00 0.00 0.00 0.00 19.45 18.63 3fqa n ALA 2182CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3fqa n ASN 2183N -1.29 5.15 -3.93 0.00 3.02 -1.24 -4.82 115.26 112.15 3fqa n ASN 2183Ca 0.12 -2.78 -0.28 0.00 -0.03 0.00 0.00 54.58 51.62 3fqa n ASN 2183Cb 0.28 -0.65 -0.17 0.00 -0.61 0.00 0.00 39.78 38.63 3fqa n ASN 2183CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3fqa s THR 2184N -2.48 1.16 -0.03 3.41 2.01 -1.17 -0.93 115.64 117.62 3fqa s THR 2184Ca 0.49 -0.40 -0.02 0.00 0.31 0.00 0.00 61.69 62.08 3fqa s THR 2184Cb 0.36 -1.17 -0.04 0.00 0.01 0.00 0.00 72.50 71.67 3fqa s THR 2184CO 0.16 0.37 0.09 -0.76 -0.69 0.00 0.00 174.62 173.78 3fqa s LEU 2185N 1.65 3.96 0.04 4.42 2.01 0.23 -4.95 118.68 126.05 3fqa s LEU 2185Ca 0.05 0.21 0.07 0.00 0.01 0.00 0.00 54.13 54.47 3fqa s LEU 2185Cb -0.13 -2.22 -0.03 0.00 0.01 0.00 0.00 46.19 43.83 3fqa s LEU 2185CO -0.09 0.30 -0.21 0.42 1.01 0.00 0.00 176.35 177.78 3fqa s THR 2186N -1.14 1.72 0.06 5.49 -4.23 -1.26 -0.46 115.64 115.82 3fqa s THR 2186Ca 0.21 -1.21 -0.08 0.00 -1.18 0.00 0.00 61.69 59.43 3fqa s THR 2186Cb -0.12 -1.49 -0.01 0.00 1.34 0.00 0.00 72.50 72.22 3fqa s THR 2186CO 0.12 0.24 0.15 0.28 -0.54 0.00 0.00 174.62 174.86 3fqa s THR 2187N -0.79 0.13 0.31 3.99 -1.32 -1.01 -4.98 115.64 111.98 3fqa s THR 2187Ca 0.08 -1.11 -0.29 0.00 -1.21 0.00 0.00 61.69 59.16 3fqa s THR 2187Cb -0.09 -1.10 -0.10 0.00 -1.51 0.00 0.00 72.50 69.70 3fqa s THR 2187CO 0.02 -0.61 1.25 -2.84 -2.21 0.00 0.00 174.62 170.22 3fqa s PRO 2188N -3.11 4.44 0.58 7.08 0.02 -1.26 -2.16 135.00 140.59 3fqa s PRO 2188Ca -0.01 2.09 -0.20 0.00 0.02 0.00 0.00 61.00 62.90 3fqa s PRO 2188Cb 0.02 -3.11 -0.04 0.00 0.02 0.00 0.00 34.50 31.38 3fqa s PRO 2188CO -0.07 -0.08 1.26 0.98 -0.33 0.00 0.00 177.00 178.77 3fqa n TYR 2189N 1.04 1.90 -1.35 6.54 9.36 -1.26 -2.26 117.16 131.13 3fqa n TYR 2189Ca 0.00 0.43 -0.12 0.00 3.32 0.00 0.00 57.90 61.53 3fqa n TYR 2189Cb 0.43 -2.29 -0.05 0.00 -0.63 0.00 0.00 39.34 36.79 3fqa n TYR 2189CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 3fqa n ASN 2190N -1.18 -4.77 -4.00 2.98 5.03 -1.26 -4.66 115.26 107.40 3fqa n ASN 2190Ca 0.13 0.30 -0.32 0.00 0.87 0.00 0.00 54.58 55.55 3fqa n ASN 2190Cb 0.46 -3.33 -0.13 0.00 -1.02 0.00 0.00 39.78 35.77 3fqa n ASN 2190CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3fqa s ASP 2191N -2.72 4.65 0.13 6.41 -1.08 -0.96 -4.94 116.67 118.17 3fqa s ASP 2191Ca 0.00 -2.93 -0.17 0.00 -0.52 0.00 0.00 52.55 48.94 3fqa s ASP 2191Cb 0.00 -1.71 -0.01 0.00 -1.46 0.00 0.00 42.92 39.73 3fqa s ASP 2191CO 0.00 -0.28 1.70 -0.07 0.52 0.00 0.00 175.17 177.04 3fqa h LEU 2192N 6.72 0.48 -0.74 -1.34 3.38 -1.93 -3.05 115.31 118.83 3fqa h LEU 2192Ca -0.06 -0.13 0.10 0.00 0.09 0.00 0.00 57.88 57.89 3fqa h LEU 2192Cb 0.92 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.47 3fqa h LEU 2192CO 0.69 0.48 0.36 -0.33 0.09 0.00 0.00 178.44 179.73 3fqa h GLU 2193N 0.45 0.58 -0.60 1.13 4.39 -1.98 0.60 114.58 119.16 3fqa h GLU 2193Ca 0.13 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 3fqa h GLU 2193Cb 0.12 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 3fqa h GLU 2193CO -0.02 0.38 0.34 0.00 -1.16 0.00 0.00 179.01 178.56 3fqa h ALA 2194N 1.46 1.48 -0.25 3.43 0.00 -1.93 -1.42 119.26 122.03 3fqa h ALA 2194Ca 0.37 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 3fqa h ALA 2194Cb 0.43 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3fqa h ALA 2194CO -0.29 0.44 -0.21 0.28 0.00 0.00 0.00 179.25 179.47 3fqa h VAL 2195N 0.82 1.31 -0.81 0.00 2.07 -0.85 -2.56 116.25 116.24 3fqa h VAL 2195Ca 0.21 -1.36 0.01 0.00 0.82 0.00 0.00 66.70 66.38 3fqa h VAL 2195Cb -0.00 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 3fqa h VAL 2195CO -0.04 0.43 0.54 0.11 0.02 0.00 0.00 177.57 178.63 3fqa h LYS 2196N 0.29 1.07 -0.97 1.57 1.57 -0.73 -2.22 116.57 117.16 3fqa h LYS 2196Ca 0.04 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3fqa h LYS 2196Cb 0.76 -0.24 -0.05 0.00 0.08 0.00 0.00 32.23 32.78 3fqa h LYS 2196CO 0.05 0.71 0.64 0.00 -0.57 0.00 0.00 179.45 180.28 3fqa h ALA 2197N 1.30 1.25 -0.43 3.86 0.00 -1.20 -0.93 119.26 123.10 3fqa h ALA 2197Ca 0.30 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3fqa h ALA 2197Cb -0.12 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.27 3fqa h ALA 2197CO -0.07 0.58 0.13 -0.07 0.00 0.00 0.00 179.25 179.83 3fqa h LEU 2198N 1.28 0.58 0.02 0.00 3.38 -0.98 -0.16 115.31 119.43 3fqa h LEU 2198Ca 0.37 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 3fqa h LEU 2198Cb -0.10 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.50 3fqa h LEU 2198CO -0.09 0.56 -0.01 -0.26 0.09 0.00 0.00 178.44 178.73 3fqa h PHE 2199N 0.62 -0.02 -0.86 1.13 -1.00 -1.11 -2.23 116.94 113.48 3fqa h PHE 2199Ca 0.15 -0.00 0.17 0.00 2.81 0.00 0.00 57.97 61.09 3fqa h PHE 2199Cb 0.19 0.01 -0.06 0.00 3.61 0.00 0.00 35.95 39.69 3fqa h PHE 2199CO 0.01 0.65 0.56 0.00 -1.61 0.00 0.00 178.31 177.92 3fqa h ALA 2200N 0.23 2.03 0.00 2.45 0.00 -1.04 0.11 119.26 123.04 3fqa h ALA 2200Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3fqa h ALA 2200Cb 0.68 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3fqa h ALA 2200CO 0.00 -0.28 -0.27 -1.91 0.00 0.00 0.00 179.25 176.80 3fqa n GLU 2201N -4.53 0.22 -2.94 0.00 2.13 -0.08 -4.22 120.64 111.22 3fqa n GLU 2201Ca 0.17 0.12 -0.19 0.00 0.66 0.00 0.00 57.16 57.93 3fqa n GLU 2201Cb 0.56 -1.70 -0.02 0.00 0.27 0.00 0.00 31.44 30.56 3fqa n GLU 2201CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3fqa n ASN 2202N -2.05 2.23 -4.65 4.31 3.02 0.35 -5.07 115.26 113.41 3fqa n ASN 2202Ca 0.05 -3.18 -0.48 0.00 -0.03 0.00 0.00 54.58 50.94 3fqa n ASN 2202Cb 0.41 -0.57 -0.05 0.00 -0.61 0.00 0.00 39.78 38.97 3fqa n ASN 2202CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3fqa n PRO 2203N 0.00 1.89 -2.41 3.52 -0.04 -0.95 -2.44 135.00 134.57 3fqa n PRO 2203Ca 0.24 0.68 -0.19 0.00 -0.04 0.00 0.00 63.50 64.20 3fqa n PRO 2203Cb 0.63 -2.42 -0.00 0.00 -0.04 0.00 0.00 33.50 31.67 3fqa n PRO 2203CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3fqa n GLY 2204N 3.20 -0.40 0.00 0.55 0.00 -1.26 -4.87 105.19 102.41 3fqa n GLY 2204Ca 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3fqa n GLY 2204CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3fqa n GLU 2205N -2.87 2.64 -3.15 1.61 1.02 -1.02 -4.95 120.64 113.92 3fqa n GLU 2205Ca -0.21 -0.02 -0.42 0.00 -0.02 0.00 0.00 57.16 56.49 3fqa n GLU 2205Cb 0.66 -0.27 -0.07 0.00 -0.02 0.00 0.00 31.44 31.74 3fqa n GLU 2205CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3fqa s ILE 2206N -0.38 4.93 0.22 -3.67 -1.09 -1.26 -1.48 121.20 118.47 3fqa s ILE 2206Ca 0.00 0.50 -0.02 0.00 -2.23 0.00 0.00 60.65 58.90 3fqa s ILE 2206Cb 0.00 -4.05 -0.00 0.00 -1.58 0.00 0.00 42.46 36.83 3fqa s ILE 2206CO 0.00 -0.29 1.59 0.00 -1.23 0.00 0.00 174.94 175.01 3fqa h ALA 2207N 8.47 0.85 0.00 9.38 0.00 -0.91 -3.43 119.26 133.62 3fqa h ALA 2207Ca -0.27 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.21 3fqa h ALA 2207Cb 1.11 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3fqa h ALA 2207CO 0.82 0.64 0.00 0.41 0.00 0.00 0.00 179.25 181.12 3fqa n GLY 2208N -0.03 -1.81 3.25 0.00 0.00 -1.25 -0.48 105.19 104.87 3fqa n GLY 2208Ca -0.02 -1.17 -0.30 0.00 0.00 0.00 0.00 46.02 44.53 3fqa n GLY 2208CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fqa s VAL 2209N -2.58 1.92 -0.04 1.61 1.01 0.22 -1.89 120.40 120.65 3fqa s VAL 2209Ca 0.00 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 61.03 3fqa s VAL 2209Cb 0.00 -1.63 -0.01 0.00 0.00 0.00 0.00 36.38 34.75 3fqa s VAL 2209CO 0.00 0.54 -0.20 -0.51 0.00 0.00 0.00 175.10 174.93 3fqa s ILE 2210N -0.18 1.65 0.25 2.22 2.07 -0.77 -0.25 121.20 126.20 3fqa s ILE 2210Ca -0.02 -0.86 -0.21 0.00 -1.41 0.00 0.00 60.65 58.15 3fqa s ILE 2210Cb -0.13 -1.40 0.03 0.00 0.13 0.00 0.00 42.46 41.09 3fqa s ILE 2210CO 0.03 0.47 0.69 -1.48 -1.91 0.00 0.00 174.94 172.73 3fqa s LEU 2211N -0.15 -0.33 -0.36 8.50 2.34 -0.90 -4.28 118.68 123.49 3fqa s LEU 2211Ca -0.01 -0.46 -0.22 0.00 0.06 0.00 0.00 54.13 53.50 3fqa s LEU 2211Cb -0.11 2.69 0.01 0.00 -0.56 0.00 0.00 46.19 48.21 3fqa s LEU 2211CO 0.02 -1.25 0.73 -1.61 -1.06 0.00 0.00 176.35 173.17 3fqa s GLU 2212N -3.88 3.72 0.43 1.48 2.02 -1.26 -1.25 118.70 119.96 3fqa s GLU 2212Ca 0.09 0.21 0.24 0.00 0.02 0.00 0.00 54.97 55.53 3fqa s GLU 2212Cb -0.05 -3.81 1.25 0.00 0.10 0.00 0.00 34.13 31.62 3fqa s GLU 2212CO 0.02 -0.81 1.74 -1.35 0.02 0.00 0.00 175.26 174.88 3fqa h PRO 2213N 8.48 0.25 -3.36 0.39 0.11 -1.94 -3.31 132.00 132.62 3fqa h PRO 2213Ca -0.25 -0.02 -0.36 0.00 0.11 0.00 0.00 66.00 65.48 3fqa h PRO 2213Cb 1.10 -0.06 -0.38 0.00 0.11 0.00 0.00 31.00 31.77 3fqa h PRO 2213CO 0.89 0.17 -0.74 0.42 -0.21 0.00 0.00 178.00 178.52 3fqa s ILE 2214N -5.35 -0.09 0.29 4.15 1.01 -1.26 -4.42 121.20 115.52 3fqa s ILE 2214Ca -0.08 0.38 -0.29 0.00 0.00 0.00 0.00 60.65 60.66 3fqa s ILE 2214Cb 0.26 -0.14 -0.10 0.00 0.01 0.00 0.00 42.46 42.49 3fqa s ILE 2214CO 0.80 0.16 1.15 -0.69 0.00 0.00 0.00 174.94 176.37 3fqa s VAL 2215N 1.95 3.32 0.00 2.92 1.01 -0.22 -4.88 120.40 124.50 3fqa s VAL 2215Ca 0.02 1.32 0.00 0.00 0.00 0.00 0.00 61.98 63.32 3fqa s VAL 2215Cb -0.12 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.42 3fqa s VAL 2215CO -0.03 0.31 0.00 0.61 0.00 0.00 0.00 175.10 175.99 3fqa n GLY 2216N 1.15 0.37 1.25 4.51 0.00 -1.23 -1.97 105.19 109.26 3fqa n GLY 2216Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 3fqa n GLY 2216CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3fqa n ASN 2217N -0.48 3.65 -2.47 1.61 3.02 -1.26 -1.61 115.26 117.72 3fqa n ASN 2217Ca 0.00 -2.22 -0.01 0.00 -0.03 0.00 0.00 54.58 52.32 3fqa n ASN 2217Cb 0.00 -0.47 0.06 0.00 -0.61 0.00 0.00 39.78 38.76 3fqa n ASN 2217CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3fqa n SER 2218N 1.02 0.26 0.00 6.41 3.41 -1.08 0.78 113.62 124.42 3fqa n SER 2218Ca 0.21 -2.08 0.00 0.00 -0.26 0.00 0.00 58.87 56.73 3fqa n SER 2218Cb 0.65 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 3fqa n SER 2218CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fqa n GLY 2219N -0.75 -0.08 3.61 5.00 0.00 -0.86 -4.83 105.19 107.28 3fqa n GLY 2219Ca -0.04 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 3fqa n GLY 2219CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3fqa s PHE 2220N -1.41 3.11 -0.07 1.61 5.36 -1.26 -3.56 117.98 121.75 3fqa s PHE 2220Ca 0.00 0.81 0.00 0.00 -0.96 0.00 0.00 56.93 56.78 3fqa s PHE 2220Cb 0.00 -3.57 0.02 0.00 -0.34 0.00 0.00 43.02 39.13 3fqa s PHE 2220CO 0.00 -0.77 -0.06 0.42 -1.46 0.00 0.00 175.22 173.35 3fqa s ILE 2221N 3.39 0.75 0.12 3.12 1.01 -0.83 -4.84 121.20 123.91 3fqa s ILE 2221Ca 0.38 -0.18 -0.07 0.00 0.00 0.00 0.00 60.65 60.77 3fqa s ILE 2221Cb -0.12 -0.78 -0.06 0.00 0.01 0.00 0.00 42.46 41.51 3fqa s ILE 2221CO 0.17 0.30 0.39 -0.69 0.00 0.00 0.00 174.94 175.11 3fqa s VAL 2222N 1.32 5.13 0.31 2.92 1.01 -1.26 -1.06 120.40 128.77 3fqa s VAL 2222Ca -0.04 0.23 -0.28 0.00 0.00 0.00 0.00 61.98 61.90 3fqa s VAL 2222Cb -0.14 -3.63 -0.09 0.00 0.00 0.00 0.00 36.38 32.52 3fqa s VAL 2222CO -0.03 0.14 1.06 -2.16 0.00 0.00 0.00 175.10 174.11 3fqa s PRO 2223N -2.34 4.53 0.90 2.72 0.04 -1.26 -4.98 135.00 134.60 3fqa s PRO 2223Ca 0.38 1.67 -0.11 0.00 0.04 0.00 0.00 61.00 62.98 3fqa s PRO 2223Cb -0.13 -3.00 0.13 0.00 0.04 0.00 0.00 34.50 31.54 3fqa s PRO 2223CO 0.21 0.15 1.10 -0.51 0.04 0.00 0.00 177.00 177.99 3fqa s ASP 2224N -1.13 3.31 0.23 6.66 1.01 -1.26 -4.90 116.67 120.59 3fqa s ASP 2224Ca 0.48 1.72 -0.32 0.00 0.71 0.00 0.00 52.55 55.14 3fqa s ASP 2224Cb -0.28 -2.35 -0.13 0.00 1.01 0.00 0.00 42.92 41.17 3fqa s ASP 2224CO 0.36 -2.78 1.51 0.00 0.21 0.00 0.00 175.17 174.47 3fqa n ALA 2225N -3.99 1.62 -0.57 5.23 0.00 -1.26 -1.93 120.51 119.61 3fqa n ALA 2225Ca 0.08 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3fqa n ALA 2225Cb 0.54 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.64 3fqa n ALA 2225CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fqa n GLY 2226N 2.56 1.24 0.11 0.00 0.00 -1.26 -4.90 105.19 102.95 3fqa n GLY 2226Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 3fqa n GLY 2226CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3fqa h PHE 2227N 0.00 -0.16 -0.40 1.61 3.57 -1.74 0.17 116.94 119.99 3fqa h PHE 2227Ca 0.00 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 3fqa h PHE 2227Cb 0.00 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 3fqa h PHE 2227CO 0.00 0.19 0.15 -0.07 -2.23 0.00 0.00 178.31 176.35 3fqa h LEU 2228N -0.52 0.56 -0.89 0.59 3.38 -1.91 -1.48 115.31 115.04 3fqa h LEU 2228Ca -0.02 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.79 3fqa h LEU 2228Cb 0.42 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3fqa h LEU 2228CO 0.03 0.59 0.59 -0.33 0.09 0.00 0.00 178.44 179.41 3fqa h GLU 2229N 0.50 1.17 -0.15 1.13 3.07 -1.94 -1.58 114.58 116.79 3fqa h GLU 2229Ca 0.13 -0.07 0.01 0.00 -0.50 0.00 0.00 59.36 58.93 3fqa h GLU 2229Cb 0.21 -0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 27.84 3fqa h GLU 2229CO -0.01 0.77 0.06 0.78 -1.40 0.00 0.00 179.01 179.22 3fqa h GLY 2230N 1.21 0.19 1.31 -3.84 0.00 -0.25 -1.69 103.07 100.00 3fqa h GLY 2230Ca 0.33 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.62 3fqa h GLY 2230CO -0.07 0.03 0.42 1.41 0.00 0.00 0.00 176.54 178.33 3fqa h LEU 2231N 0.14 0.81 -0.45 3.11 3.38 -0.87 -1.42 115.31 120.01 3fqa h LEU 2231Ca 0.06 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3fqa h LEU 2231Cb 0.03 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3fqa h LEU 2231CO -0.06 0.61 0.23 -0.09 0.09 0.00 0.00 178.44 179.22 3fqa h ARG 2232N 0.94 0.63 -0.16 1.13 1.12 -0.83 -2.13 114.38 115.08 3fqa h ARG 2232Ca 0.25 -0.09 -0.03 0.00 -1.11 0.00 0.00 59.98 59.00 3fqa h ARG 2232Cb -0.06 -0.12 -0.01 0.00 -0.01 0.00 0.00 29.97 29.78 3fqa h ARG 2232CO -0.05 0.53 -0.02 1.49 -3.11 0.00 0.00 179.97 178.81 3fqa h GLU 2233N 0.58 0.30 -0.30 0.20 4.81 -0.72 -2.67 114.58 116.79 3fqa h GLU 2233Ca 0.16 -0.11 -0.09 0.00 -0.13 0.00 0.00 59.36 59.19 3fqa h GLU 2233Cb 0.09 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 3fqa h GLU 2233CO -0.02 0.55 -0.19 -0.84 -0.73 0.00 0.00 179.01 177.78 3fqa h ILE 2234N 0.03 1.25 -0.50 2.32 3.07 -1.26 -1.45 117.51 120.98 3fqa h ILE 2234Ca 0.04 -1.18 -0.12 0.00 1.55 0.00 0.00 64.86 65.16 3fqa h ILE 2234Cb 0.43 1.24 -0.02 0.00 -0.27 0.00 0.00 36.82 38.20 3fqa h ILE 2234CO 0.01 0.38 -0.16 0.71 -1.05 0.00 0.00 178.15 178.04 3fqa h THR 2235N 0.49 1.27 -0.54 0.16 1.35 -1.40 -2.61 112.91 111.62 3fqa h THR 2235Ca 0.08 -1.32 -0.06 0.00 -0.55 0.00 0.00 66.41 64.57 3fqa h THR 2235Cb 0.60 1.06 -0.02 0.00 -1.73 0.00 0.00 68.15 68.06 3fqa h THR 2235CO 0.04 0.46 0.12 -0.07 -0.25 0.00 0.00 175.52 175.82 3fqa h LEU 2236N 0.85 0.83 -1.90 3.87 3.38 -1.25 0.38 115.31 121.48 3fqa h LEU 2236Ca 0.12 -0.24 0.06 0.00 0.09 0.00 0.00 57.88 57.91 3fqa h LEU 2236Cb 0.73 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3fqa h LEU 2236CO 0.06 0.86 0.20 -0.08 0.09 0.00 0.00 178.44 179.56 3fqa h GLU 2237N 0.77 0.12 -0.27 1.13 4.81 -1.04 -2.15 114.58 117.95 3fqa h GLU 2237Ca 0.17 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3fqa h GLU 2237Cb 0.36 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3fqa h GLU 2237CO 0.00 0.08 0.00 0.72 -0.73 0.00 0.00 179.01 179.09 3fqa n HIS 2238N -4.48 0.80 -3.57 0.92 8.25 -1.00 -4.96 115.22 111.18 3fqa n HIS 2238Ca 0.03 -0.79 -0.26 0.00 -0.26 0.00 0.00 57.72 56.44 3fqa n HIS 2238Cb 0.27 -0.24 0.04 0.00 1.12 0.00 0.00 29.99 31.17 3fqa n HIS 2238CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3fqa n ASP 2239N -0.31 -5.48 -4.80 0.41 8.00 -0.79 -4.97 116.55 108.62 3fqa n ASP 2239Ca 0.19 -0.56 -0.22 0.00 0.71 0.00 0.00 54.79 54.91 3fqa n ASP 2239Cb 0.78 -4.37 -0.05 0.00 -0.02 0.00 0.00 41.12 37.46 3fqa n ASP 2239CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fqa s ALA 2240N -3.24 3.53 0.16 2.24 0.00 0.13 -4.98 121.76 119.59 3fqa s ALA 2240Ca 0.54 -1.45 -0.10 0.00 0.00 0.00 0.00 51.96 50.94 3fqa s ALA 2240Cb -0.26 -1.23 -0.07 0.00 0.00 0.00 0.00 23.12 21.57 3fqa s ALA 2240CO 0.67 0.25 0.48 -0.51 0.00 0.00 0.00 175.76 176.65 3fqa s LEU 2241N -3.82 4.27 -0.26 0.00 1.02 0.37 -4.24 118.68 116.02 3fqa s LEU 2241Ca 0.33 0.88 -0.05 0.00 0.02 0.00 0.00 54.13 55.30 3fqa s LEU 2241Cb -0.08 -3.34 0.00 0.00 0.02 0.00 0.00 46.19 42.79 3fqa s LEU 2241CO 0.24 0.05 0.03 -0.22 0.02 0.00 0.00 176.35 176.47 3fqa s LEU 2242N -2.34 3.44 -0.16 1.79 2.96 -1.26 -0.61 118.68 122.50 3fqa s LEU 2242Ca 0.40 -0.56 0.00 0.00 -0.22 0.00 0.00 54.13 53.75 3fqa s LEU 2242Cb -0.13 -1.82 0.00 0.00 0.50 0.00 0.00 46.19 44.74 3fqa s LEU 2242CO 0.20 -0.11 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.27 3fqa s VAL 2243N 1.49 2.55 -0.24 1.68 1.01 0.66 -0.49 120.40 127.06 3fqa s VAL 2243Ca 0.04 -0.81 -0.10 0.00 0.00 0.00 0.00 61.98 61.11 3fqa s VAL 2243Cb -0.16 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 3fqa s VAL 2243CO 0.00 0.52 0.15 -0.36 0.00 0.00 0.00 175.10 175.41 3fqa s PHE 2244N 0.89 3.30 -0.67 5.22 0.40 -0.69 -2.11 117.98 124.32 3fqa s PHE 2244Ca -0.04 0.19 -0.18 0.00 -0.60 0.00 0.00 56.93 56.30 3fqa s PHE 2244Cb -0.15 -2.25 0.12 0.00 0.51 0.00 0.00 43.02 41.25 3fqa s PHE 2244CO -0.02 0.06 0.77 0.34 0.70 0.00 0.00 175.22 177.07 3fqa s ASP 2245N 1.02 6.32 -0.43 1.36 -1.08 -0.38 -1.44 116.67 122.04 3fqa s ASP 2245Ca 0.07 -1.68 0.04 0.00 -0.52 0.00 0.00 52.55 50.47 3fqa s ASP 2245Cb -0.13 -2.30 0.55 0.00 -1.46 0.00 0.00 42.92 39.58 3fqa s ASP 2245CO 0.04 -1.04 1.74 -0.62 0.52 0.00 0.00 175.17 175.81 3fqa n GLU 2246N 6.08 2.32 -0.37 4.34 1.02 -0.35 -4.28 120.64 129.40 3fqa n GLU 2246Ca -0.02 -3.23 0.02 0.00 -0.02 0.00 0.00 57.16 53.91 3fqa n GLU 2246Cb 0.44 -2.10 0.17 0.00 -0.02 0.00 0.00 31.44 29.93 3fqa n GLU 2246CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3fqa h VAL 2247N 1.10 1.12 0.06 2.62 2.07 -1.84 0.47 116.25 121.86 3fqa h VAL 2247Ca 0.48 -0.41 -0.33 0.00 0.82 0.00 0.00 66.70 67.26 3fqa h VAL 2247Cb 1.95 -0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 3fqa h VAL 2247CO 0.95 0.22 -1.82 -0.38 0.02 0.00 0.00 177.57 176.57 3fqa n ILE 2248N -4.47 1.66 0.13 4.57 5.41 -1.26 -3.99 119.36 121.40 3fqa n ILE 2248Ca 0.15 -0.41 -0.01 0.00 1.00 0.00 0.00 62.75 63.48 3fqa n ILE 2248Cb 0.15 -1.83 0.14 0.00 -0.71 0.00 0.00 39.64 37.39 3fqa n ILE 2248CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 3fqa h THR 2249N -0.39 1.35 -2.31 1.39 1.35 -1.83 -3.41 112.91 109.06 3fqa h THR 2249Ca -0.43 -2.26 -0.58 0.00 -0.55 0.00 0.00 66.41 62.59 3fqa h THR 2249Cb 1.74 2.25 0.05 0.00 -1.73 0.00 0.00 68.15 70.47 3fqa h THR 2249CO -0.07 0.62 0.86 0.61 -0.25 0.00 0.00 175.52 177.29 3fqa n GLY 2250N 0.52 1.22 3.47 5.82 0.00 0.16 -1.38 105.19 115.00 3fqa n GLY 2250Ca -0.01 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.68 3fqa n GLY 2250CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3fqa n PHE 2251N 3.80 0.00 -0.07 1.61 3.01 -1.10 -4.75 117.46 119.96 3fqa n PHE 2251Ca 0.17 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.50 3fqa n PHE 2251Cb 0.30 -1.12 -0.04 0.00 -0.01 0.00 0.00 39.48 38.61 3fqa n PHE 2251CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 3fqa n ARG 2252N -1.61 0.33 0.14 -1.08 0.63 -0.48 -4.62 116.66 109.99 3fqa n ARG 2252Ca 0.00 0.14 0.02 0.00 -0.92 0.00 0.00 57.85 57.09 3fqa n ARG 2252Cb 0.08 -1.07 0.36 0.00 0.45 0.00 0.00 32.46 32.27 3fqa n ARG 2252CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 3fqa h ILE 2253N -0.59 1.23 -1.80 5.15 1.08 -1.65 -3.37 117.51 117.56 3fqa h ILE 2253Ca -0.28 -1.07 0.22 0.00 -0.39 0.00 0.00 64.86 63.35 3fqa h ILE 2253Cb 1.10 1.46 -0.15 0.00 -3.07 0.00 0.00 36.82 36.17 3fqa h ILE 2253CO -0.17 0.32 0.69 0.00 -0.69 0.00 0.00 178.15 178.30 3fqa s ALA 2254N -4.44 -1.99 0.34 1.87 0.00 -1.26 -4.72 121.76 111.56 3fqa s ALA 2254Ca -0.04 1.04 0.04 0.00 0.00 0.00 0.00 51.96 53.01 3fqa s ALA 2254Cb 0.15 0.23 0.68 0.00 0.00 0.00 0.00 23.12 24.17 3fqa s ALA 2254CO 0.74 -0.78 1.93 -0.92 0.00 0.00 0.00 175.76 176.72 3fqa h TYR 2255N 2.00 0.87 -0.58 0.00 3.20 -1.89 0.01 116.97 120.59 3fqa h TYR 2255Ca -0.19 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.70 3fqa h TYR 2255Cb 1.20 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 39.19 3fqa h TYR 2255CO 0.30 0.44 0.00 0.41 -1.64 0.00 0.00 178.16 177.67 3fqa n GLY 2256N -1.43 2.41 7.00 1.82 0.00 -1.26 -4.08 105.19 109.66 3fqa n GLY 2256Ca 0.13 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3fqa n GLY 2256CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fqa n GLY 2257N 1.04 -1.31 0.28 -0.02 0.00 -0.03 -3.10 105.19 102.05 3fqa n GLY 2257Ca 0.23 -1.23 -0.06 0.00 0.00 0.00 0.00 46.02 44.95 3fqa n GLY 2257CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3fqa h VAL 2258N 0.00 1.26 -0.33 1.61 2.07 -1.87 -2.22 116.25 116.76 3fqa h VAL 2258Ca 0.00 -1.15 0.02 0.00 0.82 0.00 0.00 66.70 66.39 3fqa h VAL 2258Cb 0.00 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 3fqa h VAL 2258CO 0.00 0.40 0.22 0.06 0.02 0.00 0.00 177.57 178.27 3fqa h GLN 2259N 0.74 0.36 0.02 1.57 3.07 -1.78 0.16 115.11 119.25 3fqa h GLN 2259Ca 0.13 -0.02 -0.05 0.00 0.09 0.00 0.00 58.65 58.80 3fqa h GLN 2259Cb 0.57 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 28.05 3fqa h GLN 2259CO 0.03 0.24 -0.21 1.49 0.09 0.00 0.00 178.83 180.47 3fqa h GLU 2260N 0.37 0.11 -0.15 0.06 4.81 -1.42 -2.51 114.58 115.85 3fqa h GLU 2260Ca 0.13 -0.14 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3fqa h GLU 2260Cb 0.08 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3fqa h GLU 2260CO -0.03 0.96 0.06 -0.22 -0.73 0.00 0.00 179.01 179.05 3fqa h LYS 2261N -0.67 0.13 -0.32 1.92 1.63 -0.96 -3.13 116.57 115.18 3fqa h LYS 2261Ca -0.03 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 3fqa h LYS 2261Cb 1.05 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.65 3fqa h LYS 2261CO 0.04 0.09 0.00 1.19 -3.45 0.00 0.00 179.45 177.32 3fqa n PHE 2262N -5.04 0.41 -1.35 1.91 0.99 0.52 -4.99 117.46 109.90 3fqa n PHE 2262Ca -0.04 -0.20 -0.12 0.00 -0.00 0.00 0.00 57.45 57.09 3fqa n PHE 2262Cb 0.06 0.00 -0.05 0.00 -1.00 0.00 0.00 39.48 38.48 3fqa n PHE 2262CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3fqa n GLY 2263N 1.37 1.29 3.39 1.37 0.00 -0.96 -5.01 105.19 106.64 3fqa n GLY 2263Ca 0.18 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 3fqa n GLY 2263CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fqa s VAL 2264N -2.36 3.56 -0.38 1.61 1.01 -1.11 -5.03 120.40 117.70 3fqa s VAL 2264Ca 0.00 -0.45 -0.13 0.00 0.00 0.00 0.00 61.98 61.39 3fqa s VAL 2264Cb 0.00 -2.58 0.01 0.00 0.00 0.00 0.00 36.38 33.80 3fqa s VAL 2264CO 0.00 0.46 0.25 -0.89 0.00 0.00 0.00 175.10 174.92 3fqa s THR 2265N 0.93 5.09 1.09 3.92 2.01 -1.26 -4.45 115.64 122.97 3fqa s THR 2265Ca -0.00 -0.55 -0.18 0.00 0.31 0.00 0.00 61.69 61.26 3fqa s THR 2265Cb -0.15 -3.76 0.25 0.00 0.01 0.00 0.00 72.50 68.86 3fqa s THR 2265CO 0.01 -0.18 1.24 -2.16 -0.69 0.00 0.00 174.62 172.84 3fqa s PRO 2266N 1.66 -0.35 -0.07 4.92 0.04 -1.26 -5.00 135.00 134.94 3fqa s PRO 2266Ca 0.05 -0.33 0.17 0.00 0.04 0.00 0.00 61.00 60.93 3fqa s PRO 2266Cb -0.18 -1.72 -0.22 0.00 0.04 0.00 0.00 34.50 32.41 3fqa s PRO 2266CO 0.09 -3.09 0.48 -0.25 0.04 0.00 0.00 177.00 174.27 3fqa n ASP 2267N -4.26 0.45 -3.79 6.66 10.43 0.35 -4.70 116.55 121.69 3fqa n ASP 2267Ca 0.15 0.21 -0.13 0.00 2.57 0.00 0.00 54.79 57.59 3fqa n ASP 2267Cb 0.59 0.63 -0.10 0.00 1.84 0.00 0.00 41.12 44.08 3fqa n ASP 2267CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3fqa s LEU 2268N -5.59 1.05 -0.01 0.64 1.02 -1.20 -1.79 118.68 112.81 3fqa s LEU 2268Ca -0.06 0.18 -0.05 0.00 0.02 0.00 0.00 54.13 54.22 3fqa s LEU 2268Cb 0.08 1.01 -0.00 0.00 0.02 0.00 0.00 46.19 47.30 3fqa s LEU 2268CO 0.83 -0.30 0.10 0.42 0.02 0.00 0.00 176.35 177.41 3fqa s THR 2269N -0.82 0.07 0.01 5.49 -4.23 -0.03 -1.70 115.64 114.43 3fqa s THR 2269Ca -0.09 -0.56 0.02 0.00 -1.18 0.00 0.00 61.69 59.88 3fqa s THR 2269Cb -0.05 -0.33 -0.04 0.00 1.34 0.00 0.00 72.50 73.43 3fqa s THR 2269CO 0.02 -0.31 0.00 0.42 -0.54 0.00 0.00 174.62 174.22 3fqa s THR 2270N -1.03 4.17 0.19 3.99 -4.23 -0.52 -2.15 115.64 116.06 3fqa s THR 2270Ca -0.11 -0.63 0.05 0.00 -1.18 0.00 0.00 61.69 59.81 3fqa s THR 2270Cb -0.06 -2.87 -0.05 0.00 1.34 0.00 0.00 72.50 70.85 3fqa s THR 2270CO 0.01 0.35 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.60 3fqa s LEU 2271N -1.64 2.43 0.00 4.79 1.43 0.86 -1.21 118.68 125.34 3fqa s LEU 2271Ca 0.20 -1.09 0.00 0.00 -1.03 0.00 0.00 54.13 52.21 3fqa s LEU 2271Cb -0.12 -0.39 0.00 0.00 0.03 0.00 0.00 46.19 45.72 3fqa s LEU 2271CO 0.11 -0.37 0.00 0.61 0.23 0.00 0.00 176.35 176.94 3fqa n GLY 2272N -0.31 1.61 6.81 -3.19 0.00 -1.26 -1.51 105.19 107.34 3fqa n GLY 2272Ca -0.08 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.32 3fqa n GLY 2272CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fqa n LYS 2273N 0.00 0.00 -0.34 1.61 5.02 -1.25 -2.13 118.16 121.06 3fqa n LYS 2273Ca 0.00 0.00 0.22 0.00 -2.02 0.00 0.00 58.31 56.51 3fqa n LYS 2273Cb 0.00 0.00 0.45 0.00 -0.02 0.00 0.00 35.03 35.46 3fqa n LYS 2273CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3fqa h ILE 2274N 0.00 0.43 0.00 -0.18 2.04 -1.80 0.27 117.51 118.28 3fqa h ILE 2274Ca 0.00 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.71 3fqa h ILE 2274Cb 0.00 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.04 3fqa h ILE 2274CO 0.00 0.08 0.00 -0.29 0.00 0.00 0.00 178.15 177.94 3fqa h ILE 2275N 0.44 0.00 -0.01 -0.67 2.10 -1.78 -0.14 117.51 117.44 3fqa h ILE 2275Ca 0.68 -0.06 0.00 0.00 1.08 0.00 0.00 64.86 66.55 3fqa h ILE 2275Cb 1.51 0.76 0.00 0.00 -1.09 0.00 0.00 36.82 38.00 3fqa h ILE 2275CO -0.48 0.00 -0.50 0.61 -1.08 0.00 0.00 178.15 176.69 3fqa n GLY 2276N -0.99 -0.15 2.40 8.18 0.00 0.94 -3.79 105.19 111.79 3fqa n GLY 2276Ca -0.01 -0.61 -0.14 0.00 0.00 0.00 0.00 46.02 45.26 3fqa n GLY 2276CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fqa n GLY 2277N 1.42 1.32 0.00 -0.02 0.00 -0.07 -1.22 105.19 106.62 3fqa n GLY 2277Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3fqa n GLY 2277CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fqa n GLY 2278N -0.10 1.54 3.95 -0.02 0.00 -1.26 -4.95 105.19 104.35 3fqa n GLY 2278Ca -0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 3fqa n GLY 2278CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fqa s LEU 2279N 0.00 3.84 -0.27 0.99 1.02 -0.36 -5.02 118.68 118.88 3fqa s LEU 2279Ca 0.00 0.32 -0.29 0.00 0.02 0.00 0.00 54.13 54.18 3fqa s LEU 2279Cb 0.00 -3.19 -0.03 0.00 0.02 0.00 0.00 46.19 42.99 3fqa s LEU 2279CO 0.00 -0.50 1.84 -2.84 0.02 0.00 0.00 176.35 174.88 3fqa s PRO 2280N -4.41 3.43 -0.06 1.29 0.02 -1.26 -4.51 135.00 129.49 3fqa s PRO 2280Ca 0.44 1.63 -0.16 0.00 0.02 0.00 0.00 61.00 62.93 3fqa s PRO 2280Cb -0.10 -4.19 0.03 0.00 0.02 0.00 0.00 34.50 30.26 3fqa s PRO 2280CO 0.36 -1.75 0.37 0.08 -0.33 0.00 0.00 177.00 175.74 3fqa s VAL 2281N 6.70 0.03 0.22 3.83 1.01 -1.09 -4.76 120.40 126.34 3fqa s VAL 2281Ca 0.82 -0.27 -0.07 0.00 0.00 0.00 0.00 61.98 62.46 3fqa s VAL 2281Cb -0.26 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 3fqa s VAL 2281CO 0.34 -0.15 0.29 -0.83 0.00 0.00 0.00 175.10 174.75 3fqa s GLY 2282N -0.81 0.95 -0.07 4.51 0.00 -0.28 -3.87 107.32 107.74 3fqa s GLY 2282Ca -0.09 -1.27 -0.30 0.00 0.00 0.00 0.00 44.72 43.07 3fqa s GLY 2282CO 0.04 -1.01 0.83 0.00 0.00 0.00 0.00 173.10 172.96 3fqa s ALA 2283N -4.08 -1.83 -0.07 3.20 0.00 -0.57 -0.74 121.76 117.67 3fqa s ALA 2283Ca 0.30 1.32 -0.06 0.00 0.00 0.00 0.00 51.96 53.51 3fqa s ALA 2283Cb 0.03 -0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.02 3fqa s ALA 2283CO 0.09 -0.42 0.19 1.52 0.00 0.00 0.00 175.76 177.14 3fqa s TYR 2284N -1.64 -0.22 0.32 0.00 -0.85 -0.79 -0.09 117.35 114.08 3fqa s TYR 2284Ca -0.04 0.54 -0.18 0.00 -0.52 0.00 0.00 57.07 56.86 3fqa s TYR 2284Cb -0.00 0.05 0.05 0.00 0.38 0.00 0.00 41.96 42.44 3fqa s TYR 2284CO 0.02 -0.12 0.82 0.20 -1.52 0.00 0.00 175.55 174.95 3fqa s GLY 2285N 0.33 0.19 0.00 5.49 0.00 -0.91 -1.64 107.32 110.78 3fqa s GLY 2285Ca -0.02 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.17 3fqa s GLY 2285CO -0.01 0.12 0.00 0.61 0.00 0.00 0.00 173.10 173.81 3fqa n GLY 2286N -0.53 -0.67 3.68 0.20 0.00 -1.10 -0.85 105.19 105.92 3fqa n GLY 2286Ca -0.06 -0.50 -0.44 0.00 0.00 0.00 0.00 46.02 45.02 3fqa n GLY 2286CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fqa n LYS 2287N 0.00 2.04 -0.20 1.61 5.02 -0.74 -1.65 118.16 124.24 3fqa n LYS 2287Ca 0.00 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 57.01 3fqa n LYS 2287Cb 0.00 -2.34 0.11 0.00 -0.02 0.00 0.00 35.03 32.78 3fqa n LYS 2287CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3fqa h ARG 2288N 3.57 0.31 -0.17 1.97 2.43 -1.90 -1.61 114.38 118.99 3fqa h ARG 2288Ca -0.45 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 58.75 3fqa h ARG 2288Cb 1.28 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 3fqa h ARG 2288CO 0.71 0.21 0.15 0.93 -1.51 0.00 0.00 179.97 180.46 3fqa h GLU 2289N 0.32 0.00 0.10 0.20 3.07 -2.01 -1.70 114.58 114.56 3fqa h GLU 2289Ca 0.31 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 58.93 3fqa h GLU 2289Cb 0.43 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.34 3fqa h GLU 2289CO -0.36 0.00 -1.23 0.82 -1.40 0.00 0.00 179.01 176.84 3fqa h ILE 2290N 0.00 1.13 0.00 3.13 2.04 -1.67 -3.34 117.51 118.80 3fqa h ILE 2290Ca 0.08 -2.39 0.00 0.00 1.00 0.00 0.00 64.86 63.55 3fqa h ILE 2290Cb 0.38 2.77 0.00 0.00 -0.74 0.00 0.00 36.82 39.23 3fqa h ILE 2290CO -0.00 0.66 0.00 0.24 0.00 0.00 0.00 178.15 179.05 3fqa h MET 2291N -0.43 0.00 0.00 2.37 2.86 -0.85 -2.50 114.93 116.38 3fqa h MET 2291Ca -0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 3fqa h MET 2291Cb 1.65 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.31 3fqa h MET 2291CO 0.04 0.00 0.00 1.04 1.06 0.00 0.00 176.91 179.05 3fqa n GLN 2292N -3.01 0.12 0.04 1.72 1.13 -0.69 -1.83 117.38 114.86 3fqa n GLN 2292Ca -0.02 0.47 0.13 0.00 -1.94 0.00 0.00 57.00 55.64 3fqa n GLN 2292Cb 0.11 -1.79 0.38 0.00 0.11 0.00 0.00 30.24 29.05 3fqa n GLN 2292CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3fqa n LEU 2293N -2.02 0.49 -4.71 1.08 4.32 -0.94 -2.18 117.00 113.03 3fqa n LEU 2293Ca 0.01 0.36 -0.42 0.00 -0.02 0.00 0.00 56.01 55.94 3fqa n LEU 2293Cb 0.13 -0.32 -0.03 0.00 -1.62 0.00 0.00 43.42 41.57 3fqa n LEU 2293CO 0.13 -0.04 0.88 -0.69 -1.22 0.00 0.00 177.39 176.45 3fqa s VAL 2294N -3.07 4.12 0.60 4.08 1.01 -0.76 -0.43 120.40 125.95 3fqa s VAL 2294Ca 0.11 1.51 -0.19 0.00 0.00 0.00 0.00 61.98 63.41 3fqa s VAL 2294Cb 0.16 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 3fqa s VAL 2294CO 0.63 0.10 1.29 0.00 0.00 0.00 0.00 175.10 177.12 3fqa s ALA 2295N 1.22 2.56 -1.93 5.51 0.00 -0.09 -1.12 121.76 127.91 3fqa s ALA 2295Ca 0.58 1.20 0.31 0.00 0.00 0.00 0.00 51.96 54.05 3fqa s ALA 2295Cb -0.28 -3.53 1.69 0.00 0.00 0.00 0.00 23.12 20.99 3fqa s ALA 2295CO 0.28 -1.42 2.11 -0.35 0.00 0.00 0.00 175.76 176.38 3fqa n PRO 2296N -1.55 0.95 -0.02 0.00 -0.04 -1.26 -4.78 135.00 128.30 3fqa n PRO 2296Ca 0.14 -0.13 -0.12 0.00 -0.04 0.00 0.00 63.50 63.35 3fqa n PRO 2296Cb 0.47 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 3fqa n PRO 2296CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fqa h ALA 2297N 3.91 0.56 -4.19 0.55 0.00 -1.56 -3.47 119.26 115.06 3fqa h ALA 2297Ca 0.00 -0.53 -0.22 0.00 0.00 0.00 0.00 54.91 54.16 3fqa h ALA 2297Cb 0.14 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3fqa h ALA 2297CO 0.00 0.69 -0.17 0.41 0.00 0.00 0.00 179.25 180.18 3fqa n GLY 2298N 0.38 3.88 0.19 0.00 0.00 -0.27 -4.85 105.19 104.51 3fqa n GLY 2298Ca -0.04 -2.13 0.08 0.00 0.00 0.00 0.00 46.02 43.94 3fqa n GLY 2298CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fqa h PRO 2299N 0.00 0.00 -6.41 1.61 0.13 -1.75 -3.17 132.00 122.41 3fqa h PRO 2299Ca -0.13 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.43 3fqa h PRO 2299Cb 0.45 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.54 3fqa h PRO 2299CO 0.22 0.23 1.13 1.41 -0.23 0.00 0.00 178.00 180.75 3fqa s MET 2300N -3.20 3.57 0.11 0.86 1.75 0.43 -4.81 119.30 118.02 3fqa s MET 2300Ca 0.05 1.21 -0.28 0.00 -1.25 0.00 0.00 55.69 55.42 3fqa s MET 2300Cb 0.07 -4.06 -0.06 0.00 2.84 0.00 0.00 34.83 33.62 3fqa s MET 2300CO 0.69 -1.56 0.87 -0.47 -0.65 0.00 0.00 175.02 173.89 3fqa s TYR 2301N 5.70 3.82 -0.30 4.11 5.04 -1.26 -0.91 117.35 133.54 3fqa s TYR 2301Ca 0.67 1.68 -0.13 0.00 -2.44 0.00 0.00 57.07 56.86 3fqa s TYR 2301Cb -0.18 -2.93 0.14 0.00 0.35 0.00 0.00 41.96 39.34 3fqa s TYR 2301CO 0.32 0.30 0.80 -1.14 -1.34 0.00 0.00 175.55 174.48 3fqa s GLN 2302N -0.31 0.47 0.38 4.97 -0.44 -1.26 -4.97 119.66 118.50 3fqa s GLN 2302Ca 0.42 1.12 0.04 0.00 -2.50 0.00 0.00 55.36 54.44 3fqa s GLN 2302Cb -0.23 0.60 -0.04 0.00 -1.64 0.00 0.00 33.01 31.70 3fqa s GLN 2302CO 0.27 -0.15 0.09 0.00 0.50 0.00 0.00 175.29 176.00 3fqa s ALA 2303N 2.52 2.75 -0.30 1.58 0.00 -1.26 -4.85 121.76 122.21 3fqa s ALA 2303Ca -0.05 -1.54 -0.10 0.00 0.00 0.00 0.00 51.96 50.27 3fqa s ALA 2303Cb -0.09 0.66 0.18 0.00 0.00 0.00 0.00 23.12 23.88 3fqa s ALA 2303CO -0.18 -0.30 0.93 0.20 0.00 0.00 0.00 175.76 176.40 3fqa s GLY 2304N -3.57 -0.49 0.13 0.00 0.00 -1.26 -5.04 107.32 97.09 3fqa s GLY 2304Ca 0.28 2.58 -0.25 0.00 0.00 0.00 0.00 44.72 47.32 3fqa s GLY 2304CO 0.14 3.63 1.62 -0.84 0.00 0.00 0.00 173.10 177.65 3fqa h THR 2305N 5.52 0.35 -0.42 0.90 2.02 -2.01 -2.62 112.91 116.65 3fqa h THR 2305Ca -0.16 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.02 3fqa h THR 2305Cb 1.16 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 3fqa h THR 2305CO 0.02 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.09 3fqa n LEU 2306N -5.39 2.40 -4.74 2.58 4.32 -1.26 -4.71 117.00 110.21 3fqa n LEU 2306Ca -0.04 -1.17 -0.42 0.00 -0.02 0.00 0.00 56.01 54.37 3fqa n LEU 2306Cb 0.31 -0.28 -0.02 0.00 -1.62 0.00 0.00 43.42 41.81 3fqa n LEU 2306CO 0.18 0.59 1.20 -0.44 -1.22 0.00 0.00 177.39 177.69 3fqa s SER 2307N -1.10 6.53 -0.98 -1.43 0.01 -0.99 -2.43 113.70 113.31 3fqa s SER 2307Ca 0.31 2.76 0.00 0.00 1.31 0.00 0.00 55.95 60.33 3fqa s SER 2307Cb 0.16 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.78 3fqa s SER 2307CO 0.22 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 173.66 3fqa n GLY 2308N 2.70 0.12 3.77 3.44 0.00 -1.26 -4.98 105.19 108.98 3fqa n GLY 2308Ca 0.10 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 3fqa n GLY 2308CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fqa s ASN 2309N -2.56 6.53 0.47 1.61 2.20 -1.02 -4.81 114.94 117.37 3fqa s ASN 2309Ca 0.00 2.31 0.26 0.00 -0.94 0.00 0.00 52.86 54.49 3fqa s ASN 2309Cb 0.00 -2.61 1.30 0.00 -2.00 0.00 0.00 41.25 37.94 3fqa s ASN 2309CO 0.00 -0.66 1.84 1.55 -2.94 0.00 0.00 177.10 176.89 3fqa h PRO 2310N 2.61 0.19 -0.19 3.55 0.13 -1.91 -2.08 132.00 134.30 3fqa h PRO 2310Ca -0.49 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 64.54 3fqa h PRO 2310Cb 1.23 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 3fqa h PRO 2310CO 0.62 0.13 -0.25 -0.07 -0.23 0.00 0.00 178.00 178.20 3fqa h LEU 2311N 0.20 0.55 -0.54 1.56 3.38 -1.87 -0.92 115.31 117.66 3fqa h LEU 2311Ca 0.50 -0.51 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3fqa h LEU 2311Cb 1.61 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.18 3fqa h LEU 2311CO -0.12 0.95 0.05 0.00 0.09 0.00 0.00 178.44 179.41 3fqa h ALA 2312N 0.62 0.72 -0.24 1.53 0.00 -1.81 -1.78 119.26 118.30 3fqa h ALA 2312Ca 0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3fqa h ALA 2312Cb 0.81 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3fqa h ALA 2312CO 0.06 0.50 0.11 0.52 0.00 0.00 0.00 179.25 180.44 3fqa h MET 2313N 0.80 0.35 -0.49 0.00 2.86 -1.38 -0.97 114.93 116.11 3fqa h MET 2313Ca 0.16 -0.05 0.05 0.00 -2.06 0.00 0.00 59.70 57.80 3fqa h MET 2313Cb 0.46 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.02 3fqa h MET 2313CO 0.02 0.35 0.23 1.15 1.06 0.00 0.00 176.91 179.72 3fqa h THR 2314N 0.26 0.93 -0.70 2.22 2.02 -1.01 -0.37 112.91 116.25 3fqa h THR 2314Ca 0.08 -0.16 -0.07 0.00 0.77 0.00 0.00 66.41 67.04 3fqa h THR 2314Cb 0.12 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 3fqa h THR 2314CO -0.01 0.08 0.16 0.00 0.37 0.00 0.00 175.52 176.12 3fqa h ALA 2315N 1.28 0.96 -0.18 6.16 0.00 -1.12 -2.07 119.26 124.29 3fqa h ALA 2315Ca 0.22 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3fqa h ALA 2315Cb 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3fqa h ALA 2315CO -0.18 0.67 0.02 0.78 0.00 0.00 0.00 179.25 180.54 3fqa h GLY 2316N 1.08 0.32 0.70 0.00 0.00 -0.66 -1.77 103.07 102.75 3fqa h GLY 2316Ca 0.22 -0.22 0.03 0.00 0.00 0.00 0.00 47.33 47.35 3fqa h GLY 2316CO 0.00 0.21 -0.06 -2.22 0.00 0.00 0.00 176.54 174.47 3fqa h ILE 2317N 0.08 0.81 -0.71 2.60 2.04 -1.01 -0.73 117.51 120.59 3fqa h ILE 2317Ca 0.05 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.89 3fqa h ILE 2317Cb 0.33 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 3fqa h ILE 2317CO 0.01 0.00 0.34 0.50 0.00 0.00 0.00 178.15 178.99 3fqa h LYS 2318N -0.06 1.00 -0.45 2.37 3.11 -1.37 -1.38 116.57 119.80 3fqa h LYS 2318Ca 0.06 -0.14 -0.08 0.00 -2.81 0.00 0.00 60.65 57.68 3fqa h LYS 2318Cb 0.15 -0.19 -0.02 0.00 -1.00 0.00 0.00 32.23 31.18 3fqa h LYS 2318CO -0.14 0.77 -0.04 1.15 -2.81 0.00 0.00 179.45 178.38 3fqa h THR 2319N 1.00 1.27 -0.25 1.00 2.02 -0.92 -2.48 112.91 114.55 3fqa h THR 2319Ca 0.24 -1.12 -0.11 0.00 0.77 0.00 0.00 66.41 66.19 3fqa h THR 2319Cb 0.10 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 3fqa h THR 2319CO -0.03 0.38 -0.33 -0.07 0.37 0.00 0.00 175.52 175.84 3fqa h LEU 2320N 0.66 0.54 -0.80 2.58 4.07 -0.85 -2.36 115.31 119.15 3fqa h LEU 2320Ca 0.12 -0.21 -0.06 0.00 0.08 0.00 0.00 57.88 57.81 3fqa h LEU 2320Cb 0.56 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 42.12 3fqa h LEU 2320CO 0.03 0.83 0.20 -0.33 -1.08 0.00 0.00 178.44 178.10 3fqa h GLU 2321N 0.44 1.10 -0.75 1.13 5.08 -1.14 -1.82 114.58 118.63 3fqa h GLU 2321Ca 0.05 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.11 3fqa h GLU 2321Cb 0.79 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 3fqa h GLU 2321CO 0.06 0.95 0.24 -0.07 -1.00 0.00 0.00 179.01 179.19 3fqa h LEU 2322N 1.05 1.08 -1.32 1.33 3.38 -1.20 -2.69 115.31 116.94 3fqa h LEU 2322Ca 0.23 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3fqa h LEU 2322Cb 0.32 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3fqa h LEU 2322CO -0.00 0.99 -0.19 -0.07 0.09 0.00 0.00 178.44 179.26 3fqa h LEU 2323N 1.11 0.00 0.00 1.67 3.38 -1.03 -2.75 115.31 117.69 3fqa h LEU 2323Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3fqa h LEU 2323Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3fqa h LEU 2323CO -0.01 0.19 0.00 -1.14 0.09 0.00 0.00 178.44 177.57 3fqa n ARG 2324N -3.42 0.05 -1.43 1.13 0.63 -0.72 -4.74 116.66 108.16 3fqa n ARG 2324Ca -0.00 0.11 -0.32 0.00 -0.92 0.00 0.00 57.85 56.71 3fqa n ARG 2324Cb 0.38 -1.50 0.08 0.00 0.45 0.00 0.00 32.46 31.87 3fqa n ARG 2324CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 3fqa s GLN 2325N -2.94 2.32 0.34 -0.14 -1.52 -1.04 -4.97 119.66 111.72 3fqa s GLN 2325Ca 0.12 1.39 -0.29 0.00 -1.95 0.00 0.00 55.36 54.64 3fqa s GLN 2325Cb 0.15 -1.89 -0.11 0.00 -0.22 0.00 0.00 33.01 30.94 3fqa s GLN 2325CO 0.40 -1.62 1.50 -2.14 -0.25 0.00 0.00 175.29 173.18 3fqa s PRO 2326N -4.39 4.15 0.00 2.91 0.02 -1.26 -3.31 135.00 133.12 3fqa s PRO 2326Ca 0.66 2.52 0.00 0.00 0.02 0.00 0.00 61.00 64.20 3fqa s PRO 2326Cb -0.21 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.31 3fqa s PRO 2326CO 0.49 -0.52 0.00 0.41 -0.33 0.00 0.00 177.00 177.04 3fqa n GLY 2327N 1.14 0.34 0.42 0.52 0.00 -1.26 -4.94 105.19 101.40 3fqa n GLY 2327Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 3fqa n GLY 2327CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3fqa h THR 2328N 0.00 0.00 0.00 2.61 2.02 -1.84 -1.60 112.91 114.09 3fqa h THR 2328Ca 0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 3fqa h THR 2328Cb 0.35 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 3fqa h THR 2328CO 0.00 0.00 -0.35 1.88 0.37 0.00 0.00 175.52 177.42 3fqa h TYR 2329N -0.91 0.00 -0.36 3.16 -1.99 -1.88 -2.76 116.97 112.23 3fqa h TYR 2329Ca -0.07 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.61 3fqa h TYR 2329Cb 0.75 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.47 3fqa h TYR 2329CO -0.14 0.35 0.04 0.93 -0.00 0.00 0.00 178.16 179.34 3fqa h GLU 2330N 0.00 0.61 -0.49 4.88 3.07 -1.96 -1.65 114.58 119.04 3fqa h GLU 2330Ca -0.00 -0.17 -0.01 0.00 -0.50 0.00 0.00 59.36 58.68 3fqa h GLU 2330Cb 0.82 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.65 3fqa h GLU 2330CO 0.05 0.69 0.28 -0.92 -1.40 0.00 0.00 179.01 177.71 3fqa h TYR 2331N 0.44 0.66 -0.28 4.33 3.20 -1.12 -1.10 116.97 123.10 3fqa h TYR 2331Ca 0.11 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.97 3fqa h TYR 2331Cb 0.39 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 3fqa h TYR 2331CO 0.03 0.48 0.18 -0.07 -1.64 0.00 0.00 178.16 177.14 3fqa h LEU 2332N 0.65 0.32 -0.54 2.82 3.38 -1.37 -1.79 115.31 118.78 3fqa h LEU 2332Ca 0.17 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3fqa h LEU 2332Cb 0.02 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3fqa h LEU 2332CO -0.03 0.23 0.31 -0.78 0.09 0.00 0.00 178.44 178.26 3fqa h ASP 2333N 0.37 0.66 0.59 -0.43 -0.00 -1.11 -1.62 116.42 114.88 3fqa h ASP 2333Ca 0.10 -0.07 -0.02 0.00 -0.00 0.00 0.00 57.03 57.03 3fqa h ASP 2333Cb -0.04 -0.17 -0.01 0.00 -0.00 0.00 0.00 39.33 39.12 3fqa h ASP 2333CO -0.02 0.54 -0.37 -0.61 -0.00 0.00 0.00 179.24 178.78 3fqa h GLN 2334N 0.72 -0.88 0.00 0.28 4.15 -0.91 -1.34 115.11 117.13 3fqa h GLN 2334Ca 0.19 0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.59 3fqa h GLN 2334Cb 0.02 0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 3fqa h GLN 2334CO -0.03 -0.59 -0.38 -0.84 -1.93 0.00 0.00 178.83 175.06 3fqa h ILE 2335N -0.91 1.13 -0.01 2.39 3.07 -1.34 -2.68 117.51 119.15 3fqa h ILE 2335Ca -0.07 -1.37 -0.23 0.00 1.55 0.00 0.00 64.86 64.74 3fqa h ILE 2335Cb 0.74 1.77 0.00 0.00 -0.27 0.00 0.00 36.82 39.07 3fqa h ILE 2335CO 0.07 0.37 -0.93 0.74 -1.05 0.00 0.00 178.15 177.35 3fqa h THR 2336N 0.00 1.39 -0.52 0.16 2.02 -1.20 -2.01 112.91 112.75 3fqa h THR 2336Ca -0.00 -2.41 -0.10 0.00 0.77 0.00 0.00 66.41 64.66 3fqa h THR 2336Cb 0.74 2.39 -0.02 0.00 -1.74 0.00 0.00 68.15 69.52 3fqa h THR 2336CO 0.05 0.72 -0.06 0.50 0.37 0.00 0.00 175.52 177.10 3fqa h LYS 2337N 0.25 0.96 -0.84 6.66 3.64 -1.18 0.19 116.57 126.25 3fqa h LYS 2337Ca -0.08 -0.34 -0.01 0.00 -1.27 0.00 0.00 60.65 58.95 3fqa h LYS 2337Cb 1.56 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 33.27 3fqa h LYS 2337CO 0.16 1.01 0.47 -0.09 -2.27 0.00 0.00 179.45 178.73 3fqa h ARG 2338N 0.83 1.17 -0.01 1.90 2.43 -1.44 0.13 114.38 119.39 3fqa h ARG 2338Ca 0.14 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3fqa h ARG 2338Cb 0.62 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 3fqa h ARG 2338CO 0.04 0.85 -0.01 1.25 -1.51 0.00 0.00 179.97 180.59 3fqa h LEU 2339N 1.18 0.02 0.61 3.80 6.46 -0.93 -2.44 115.31 124.01 3fqa h LEU 2339Ca 0.30 -0.48 -0.03 0.00 -0.12 0.00 0.00 57.88 57.55 3fqa h LEU 2339Cb 0.01 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 39.94 3fqa h LEU 2339CO -0.05 0.50 -0.35 -1.28 -0.62 0.00 0.00 178.44 176.64 3fqa h SER 2340N -0.45 -0.86 -0.64 1.25 0.87 -0.34 -1.08 113.55 112.30 3fqa h SER 2340Ca 0.00 0.04 0.06 0.00 -1.23 0.00 0.00 61.79 60.67 3fqa h SER 2340Cb 0.49 0.24 -0.05 0.00 -0.44 0.00 0.00 62.40 62.64 3fqa h SER 2340CO 0.00 -0.56 0.34 0.44 -0.53 0.00 0.00 176.83 176.53 3fqa h ASP 2341N -0.90 0.49 -0.69 6.23 3.32 -0.87 -1.72 116.42 122.30 3fqa h ASP 2341Ca -0.08 0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.07 3fqa h ASP 2341Cb 0.71 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 40.15 3fqa h ASP 2341CO 0.10 0.32 0.38 1.23 -1.72 0.00 0.00 179.24 179.55 3fqa h GLY 2342N 0.63 1.01 0.98 2.75 0.00 -1.27 0.15 103.07 107.32 3fqa h GLY 2342Ca 0.29 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.32 3fqa h GLY 2342CO -0.19 0.16 0.22 1.41 0.00 0.00 0.00 176.54 178.14 3fqa h LEU 2343N 0.70 0.74 -1.07 3.11 4.07 -0.50 -1.40 115.31 120.96 3fqa h LEU 2343Ca 0.31 -0.16 -0.10 0.00 0.08 0.00 0.00 57.88 58.01 3fqa h LEU 2343Cb 0.20 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.74 3fqa h LEU 2343CO -0.19 0.70 -0.46 -0.07 -1.08 0.00 0.00 178.44 177.34 3fqa h LEU 2344N 0.73 0.00 -0.22 1.67 3.38 -0.64 -1.90 115.31 118.34 3fqa h LEU 2344Ca 0.18 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.97 3fqa h LEU 2344Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3fqa h LEU 2344CO -0.02 0.46 -0.58 0.00 0.09 0.00 0.00 178.44 178.39 3fqa h ALA 2345N 1.54 0.36 -0.24 1.53 0.00 -0.44 -2.83 119.26 119.18 3fqa h ALA 2345Ca -0.00 -0.53 -0.10 0.00 0.00 0.00 0.00 54.91 54.28 3fqa h ALA 2345Cb 0.82 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3fqa h ALA 2345CO 0.06 0.60 -0.29 0.82 0.00 0.00 0.00 179.25 180.44 3fqa h ILE 2346N 0.51 1.27 -0.50 0.00 2.04 -1.08 -0.78 117.51 118.97 3fqa h ILE 2346Ca -0.01 -1.34 -0.11 0.00 1.00 0.00 0.00 64.86 64.40 3fqa h ILE 2346Cb 1.20 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 38.66 3fqa h ILE 2346CO 0.13 0.42 -0.12 0.00 0.00 0.00 0.00 178.15 178.58 3fqa h ALA 2347N 1.27 0.85 0.16 1.87 0.00 -1.35 -1.22 119.26 120.83 3fqa h ALA 2347Ca 0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3fqa h ALA 2347Cb 0.72 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3fqa h ALA 2347CO 0.06 0.65 -0.08 0.37 0.00 0.00 0.00 179.25 180.25 3fqa h GLN 2348N 0.84 -0.21 -0.47 0.00 4.15 -1.27 0.55 115.11 118.71 3fqa h GLN 2348Ca 0.13 0.01 0.10 0.00 0.77 0.00 0.00 58.65 59.66 3fqa h GLN 2348Cb 0.65 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.37 3fqa h GLN 2348CO 0.05 0.15 0.32 1.49 -1.93 0.00 0.00 178.83 178.91 3fqa h GLU 2349N -0.60 0.21 -0.08 1.69 4.81 -1.08 -0.88 114.58 118.65 3fqa h GLU 2349Ca -0.02 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3fqa h GLU 2349Cb 0.45 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.78 3fqa h GLU 2349CO 0.04 0.14 0.00 0.25 -0.73 0.00 0.00 179.01 178.71 3fqa n THR 2350N -4.45 0.08 -1.10 0.32 -2.24 -0.47 -4.97 114.28 101.45 3fqa n THR 2350Ca 0.07 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 3fqa n THR 2350Cb 0.38 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 3fqa n THR 2350CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fqa n GLY 2351N 1.28 0.50 3.57 3.38 0.00 -0.33 -4.96 105.19 108.64 3fqa n GLY 2351Ca 0.17 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 3fqa n GLY 2351CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fqa s HIS 2352N -2.00 3.11 0.03 1.61 3.76 0.19 -5.00 115.29 116.98 3fqa s HIS 2352Ca 0.00 -0.10 -0.30 0.00 -0.15 0.00 0.00 55.06 54.51 3fqa s HIS 2352Cb 0.00 -1.95 -0.06 0.00 1.11 0.00 0.00 32.58 31.68 3fqa s HIS 2352CO 0.00 0.13 1.45 0.00 -0.85 0.00 0.00 174.74 175.47 3fqa s ALA 2353N 0.08 3.61 0.18 -1.40 0.00 -1.26 -4.18 121.76 118.78 3fqa s ALA 2353Ca 0.01 0.98 -0.23 0.00 0.00 0.00 0.00 51.96 52.73 3fqa s ALA 2353Cb -0.13 -3.61 0.06 0.00 0.00 0.00 0.00 23.12 19.44 3fqa s ALA 2353CO 0.02 -0.92 0.62 0.00 0.00 0.00 0.00 175.76 175.48 3fqa s ALA 2354N 2.29 -1.53 0.23 0.00 0.00 -1.21 -2.33 121.76 119.22 3fqa s ALA 2354Ca 0.66 0.35 -0.15 0.00 0.00 0.00 0.00 51.96 52.82 3fqa s ALA 2354Cb -0.34 0.88 0.01 0.00 0.00 0.00 0.00 23.12 23.67 3fqa s ALA 2354CO 0.28 -0.81 0.52 0.00 0.00 0.00 0.00 175.76 175.75 3fqa n GLY 2356N -0.37 -0.56 0.00 0.00 0.00 -1.26 -0.36 105.19 102.64 3fqa n GLY 2356Ca -0.05 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.21 3fqa n GLY 2356CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fqa n GLY 2357N 0.00 -1.92 3.50 -0.02 0.00 -0.93 -4.98 105.19 100.84 3fqa n GLY 2357Ca 0.00 -1.21 -0.12 0.00 0.00 0.00 0.00 46.02 44.69 3fqa n GLY 2357CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3fqa s GLN 2358N -1.80 0.96 -0.07 1.61 1.03 -1.26 -1.13 119.66 119.00 3fqa s GLN 2358Ca 0.00 -0.12 -0.03 0.00 0.04 0.00 0.00 55.36 55.25 3fqa s GLN 2358Cb 0.00 0.45 0.04 0.00 0.03 0.00 0.00 33.01 33.52 3fqa s GLN 2358CO 0.00 -0.37 0.08 0.08 -2.54 0.00 0.00 175.29 172.53 3fqa s VAL 2359N -2.44 -0.12 0.00 3.63 1.01 -0.69 -5.01 120.40 116.78 3fqa s VAL 2359Ca -0.01 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.28 3fqa s VAL 2359Cb -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.13 3fqa s VAL 2359CO -0.03 0.09 0.00 -0.24 0.00 0.00 0.00 175.10 174.91 3fqa n SER 2360N 5.30 0.00 -1.96 3.32 2.88 -1.26 -2.45 113.62 119.45 3fqa n SER 2360Ca -0.04 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.32 3fqa n SER 2360Cb 0.50 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.98 3fqa n SER 2360CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3fqa n GLY 2361N 0.00 4.11 2.77 0.46 0.00 -1.26 -4.24 105.19 107.04 3fqa n GLY 2361Ca 0.00 -1.18 -0.19 0.00 0.00 0.00 0.00 46.02 44.65 3fqa n GLY 2361CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3fqa s MET 2362N -1.77 0.27 0.21 1.61 -2.45 -1.02 -2.42 119.30 113.74 3fqa s MET 2362Ca 0.34 0.16 0.01 0.00 -1.25 0.00 0.00 55.69 54.95 3fqa s MET 2362Cb 0.26 -0.60 -0.05 0.00 1.25 0.00 0.00 34.83 35.69 3fqa s MET 2362CO -0.03 -0.22 0.07 -0.59 1.05 0.00 0.00 175.02 175.30 3fqa s PHE 2363N 1.53 1.32 0.03 4.11 -0.12 -0.98 -1.70 117.98 122.18 3fqa s PHE 2363Ca -0.03 -1.16 -0.04 0.00 -0.05 0.00 0.00 56.93 55.66 3fqa s PHE 2363Cb -0.13 -0.75 -0.02 0.00 -0.63 0.00 0.00 43.02 41.49 3fqa s PHE 2363CO -0.03 -0.35 0.05 0.20 -0.05 0.00 0.00 175.22 175.04 3fqa s GLY 2364N -3.22 0.23 -0.22 1.99 0.00 -0.28 -0.48 107.32 105.33 3fqa s GLY 2364Ca 0.32 -0.65 -0.05 0.00 0.00 0.00 0.00 44.72 44.34 3fqa s GLY 2364CO 0.09 -0.77 0.41 -0.12 0.00 0.00 0.00 173.10 172.71 3fqa s PHE 2365N -2.50 -0.83 -0.03 1.90 5.36 -1.26 -2.19 117.98 118.43 3fqa s PHE 2365Ca -0.06 1.26 0.05 0.00 -0.96 0.00 0.00 56.93 57.22 3fqa s PHE 2365Cb -0.02 0.20 -0.03 0.00 -0.34 0.00 0.00 43.02 42.83 3fqa s PHE 2365CO -0.04 -0.58 -0.17 -0.06 -1.46 0.00 0.00 175.22 172.90 3fqa s PHE 2366N 2.59 2.61 -1.28 10.12 0.40 0.52 -4.99 117.98 127.95 3fqa s PHE 2366Ca 0.05 -0.23 -0.12 0.00 -0.60 0.00 0.00 56.93 56.03 3fqa s PHE 2366Cb -0.13 -1.59 0.15 0.00 0.51 0.00 0.00 43.02 41.96 3fqa s PHE 2366CO -0.14 0.15 1.76 1.19 0.70 0.00 0.00 175.22 178.88 3fqa n PHE 2367N 2.26 3.81 -3.58 0.36 0.99 -1.26 -1.78 117.46 118.27 3fqa n PHE 2367Ca -0.17 -3.00 -0.10 0.00 -0.00 0.00 0.00 57.45 54.18 3fqa n PHE 2367Cb 0.52 -2.15 -0.05 0.00 -1.00 0.00 0.00 39.48 36.80 3fqa n PHE 2367CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.76 176.68 3fqa s THR 2368N 1.39 0.00 0.31 4.37 -1.32 -0.98 -1.41 115.64 117.99 3fqa s THR 2368Ca 0.43 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 61.04 3fqa s THR 2368Cb 0.06 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 70.12 3fqa s THR 2368CO -0.00 0.00 1.76 1.05 -2.21 0.00 0.00 174.62 175.22 3fqa h GLU 2369N 2.52 0.00 0.00 7.08 4.11 -1.82 -2.68 114.58 123.79 3fqa h GLU 2369Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.25 3fqa h GLU 2369Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3fqa h GLU 2369CO 0.31 0.44 0.00 0.41 0.07 0.00 0.00 179.01 180.23 3fqa n GLY 2370N -0.15 1.73 3.70 1.06 0.00 -1.26 -4.64 105.19 105.64 3fqa n GLY 2370Ca -0.01 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 3fqa n GLY 2370CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3fqa s PRO 2371N 0.00 1.03 -0.31 1.61 0.02 -1.26 -5.13 135.00 130.96 3fqa s PRO 2371Ca 0.00 0.82 -0.10 0.00 0.02 0.00 0.00 61.00 61.74 3fqa s PRO 2371Cb 0.00 -1.78 -0.01 0.00 0.02 0.00 0.00 34.50 32.73 3fqa s PRO 2371CO 0.00 -2.40 0.15 0.08 -0.33 0.00 0.00 177.00 174.51 3fqa s VAL 2372N -2.90 4.65 -0.12 3.83 1.01 -1.26 -4.91 120.40 120.70 3fqa s VAL 2372Ca 0.64 -0.38 0.09 0.00 0.00 0.00 0.00 61.98 62.33 3fqa s VAL 2372Cb -0.19 -3.36 -0.13 0.00 0.00 0.00 0.00 36.38 32.71 3fqa s VAL 2372CO 0.57 0.08 0.24 1.41 0.00 0.00 0.00 175.10 177.41 3fqa n HIS 2373N 4.99 0.00 -3.94 5.22 8.25 -1.26 -4.77 115.22 123.71 3fqa n HIS 2373Ca -0.14 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.20 3fqa n HIS 2373Cb 0.49 -0.15 -0.00 0.00 1.12 0.00 0.00 29.99 31.44 3fqa n HIS 2373CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3fqa s ASN 2374N -2.74 0.49 0.21 0.41 4.22 -1.26 -4.52 114.94 111.75 3fqa s ASN 2374Ca -0.02 -1.34 -0.10 0.00 -2.14 0.00 0.00 52.86 49.26 3fqa s ASN 2374Cb 0.06 0.78 0.16 0.00 1.28 0.00 0.00 41.25 43.52 3fqa s ASN 2374CO 0.37 -1.53 1.88 0.22 -2.04 0.00 0.00 177.10 176.00 3fqa h TYR 2375N 2.04 0.96 -0.67 1.54 3.20 -1.89 -1.86 116.97 120.29 3fqa h TYR 2375Ca -0.31 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.63 3fqa h TYR 2375Cb 1.24 -0.32 -0.05 0.00 1.54 0.00 0.00 36.73 39.14 3fqa h TYR 2375CO 1.51 0.62 0.39 1.49 -1.64 0.00 0.00 178.16 180.52 3fqa h GLU 2376N 1.03 0.71 -0.05 1.82 4.81 -1.97 -1.24 114.58 119.70 3fqa h GLU 2376Ca 0.28 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 3fqa h GLU 2376Cb -0.10 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.12 3fqa h GLU 2376CO -0.06 0.47 0.02 -0.44 -0.73 0.00 0.00 179.01 178.27 3fqa h ASP 2377N 0.73 0.06 -0.95 1.04 3.32 -1.83 -2.77 116.42 116.03 3fqa h ASP 2377Ca 0.29 -0.12 0.23 0.00 0.02 0.00 0.00 57.03 57.45 3fqa h ASP 2377Cb 0.15 -0.02 -0.07 0.00 0.22 0.00 0.00 39.33 39.61 3fqa h ASP 2377CO -0.16 0.17 0.63 0.00 -1.72 0.00 0.00 179.24 178.15 3fqa h ALA 2378N 0.90 2.27 0.00 3.45 0.00 -0.61 -0.33 119.26 124.94 3fqa h ALA 2378Ca 0.02 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3fqa h ALA 2378Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3fqa h ALA 2378CO -0.00 -0.59 0.00 1.63 0.00 0.00 0.00 179.25 180.29 3fqa n LYS 2379N -4.52 0.26 0.00 0.00 5.02 -0.54 -2.37 118.16 116.02 3fqa n LYS 2379Ca 0.21 0.12 0.14 0.00 -2.02 0.00 0.00 58.31 56.76 3fqa n LYS 2379Cb 0.77 -1.50 0.60 0.00 -0.02 0.00 0.00 35.03 34.88 3fqa n LYS 2379CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3fqa n LYS 2380N -1.27 0.46 -1.76 1.97 5.02 -0.13 -4.89 118.16 117.56 3fqa n LYS 2380Ca 0.08 -0.13 -0.38 0.00 -2.02 0.00 0.00 58.31 55.86 3fqa n LYS 2380Cb 0.13 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.69 3fqa n LYS 2380CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3fqa s SER 2381N -2.63 5.18 -0.93 4.39 0.01 -1.00 -4.86 113.70 113.87 3fqa s SER 2381Ca 0.25 2.77 -0.23 0.00 1.31 0.00 0.00 55.95 60.05 3fqa s SER 2381Cb 0.20 -2.64 0.06 0.00 0.21 0.00 0.00 66.02 63.85 3fqa s SER 2381CO 0.50 -1.63 1.35 -0.62 0.41 0.00 0.00 173.24 173.25 3fqa s ASP 2382N -0.97 6.42 0.42 2.44 3.68 -0.50 -4.86 116.67 123.30 3fqa s ASP 2382Ca 0.73 -1.27 0.09 0.00 2.13 0.00 0.00 52.55 54.23 3fqa s ASP 2382Cb -0.41 -2.54 0.91 0.00 -1.45 0.00 0.00 42.92 39.44 3fqa s ASP 2382CO 0.48 -1.53 2.04 -0.07 0.13 0.00 0.00 175.17 176.22 3fqa h LEU 2383N 12.49 0.32 -0.74 -1.34 4.07 -1.90 -2.08 115.31 126.13 3fqa h LEU 2383Ca 0.06 -0.02 -0.12 0.00 0.08 0.00 0.00 57.88 57.88 3fqa h LEU 2383Cb 1.02 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.67 3fqa h LEU 2383CO 1.34 0.29 -0.33 1.56 -1.08 0.00 0.00 178.44 180.23 3fqa h GLN 2384N 0.37 0.58 -0.30 1.13 4.20 -1.95 -1.17 115.11 117.98 3fqa h GLN 2384Ca 0.09 -0.27 -0.17 0.00 0.06 0.00 0.00 58.65 58.37 3fqa h GLN 2384Cb 0.07 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 3fqa h GLN 2384CO -0.01 0.84 -0.49 -0.22 -0.67 0.00 0.00 178.83 178.28 3fqa h LYS 2385N 0.50 0.83 -0.87 1.46 3.64 -1.86 -2.63 116.57 117.64 3fqa h LYS 2385Ca 0.06 -0.49 -0.00 0.00 -1.27 0.00 0.00 60.65 58.94 3fqa h LYS 2385Cb 0.81 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.63 3fqa h LYS 2385CO 0.07 1.12 0.53 0.35 -2.27 0.00 0.00 179.45 179.25 3fqa h PHE 2386N 0.65 1.15 -0.30 1.91 3.57 -1.14 0.31 116.94 123.10 3fqa h PHE 2386Ca 0.03 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.56 3fqa h PHE 2386Cb 1.07 -0.38 -0.03 0.00 2.79 0.00 0.00 35.95 39.40 3fqa h PHE 2386CO 0.06 0.76 0.10 1.03 -2.23 0.00 0.00 178.31 178.04 3fqa h SER 2387N 1.20 0.11 -0.35 0.41 0.87 -1.03 0.30 113.55 115.06 3fqa h SER 2387Ca 0.31 0.03 -0.14 0.00 -1.23 0.00 0.00 61.79 60.77 3fqa h SER 2387Cb -0.05 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 3fqa h SER 2387CO -0.06 0.10 -0.30 0.03 -0.53 0.00 0.00 176.83 176.07 3fqa h ARG 2388N 0.23 0.88 -0.02 2.24 3.08 -1.10 -1.97 114.38 117.71 3fqa h ARG 2388Ca 0.13 -0.41 0.01 0.00 0.07 0.00 0.00 59.98 59.78 3fqa h ARG 2388Cb 0.10 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3fqa h ARG 2388CO -0.14 1.05 -0.01 0.35 -1.07 0.00 0.00 179.97 180.15 3fqa h PHE 2389N 0.74 -0.03 -0.41 3.04 3.57 -0.49 -0.17 116.94 123.19 3fqa h PHE 2389Ca 0.08 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.62 3fqa h PHE 2389Cb 0.86 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.58 3fqa h PHE 2389CO 0.05 -0.02 0.21 1.25 -2.23 0.00 0.00 178.31 177.57 3fqa h HIS 2390N -0.01 0.38 -0.44 0.41 2.76 -0.29 -0.24 115.15 117.72 3fqa h HIS 2390Ca 0.01 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.16 3fqa h HIS 2390Cb 0.03 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 28.86 3fqa h HIS 2390CO -0.10 0.20 0.11 -0.09 -1.30 0.00 0.00 177.93 176.74 3fqa h ARG 2391N 0.42 0.70 -0.90 5.26 9.65 -1.18 -1.63 114.38 126.69 3fqa h ARG 2391Ca 0.17 -0.17 0.01 0.00 -1.10 0.00 0.00 59.98 58.89 3fqa h ARG 2391Cb 0.08 -0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 28.52 3fqa h ARG 2391CO -0.12 0.70 0.58 0.78 2.80 0.00 0.00 179.97 184.71 3fqa h GLY 2392N 0.57 1.28 1.25 2.80 0.00 -0.66 -1.08 103.07 107.22 3fqa h GLY 2392Ca 0.14 -0.49 -0.12 0.00 0.00 0.00 0.00 47.33 46.86 3fqa h GLY 2392CO 0.00 0.48 -0.20 -0.33 0.00 0.00 0.00 176.54 176.49 3fqa h MET 2393N 1.23 0.86 -0.66 4.80 2.86 -0.89 -2.29 114.93 120.84 3fqa h MET 2393Ca 0.33 -0.35 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3fqa h MET 2393Cb -0.12 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.47 3fqa h MET 2393CO -0.07 0.99 0.41 1.25 1.06 0.00 0.00 176.91 180.55 3fqa h LEU 2394N 0.76 0.79 -1.71 1.22 5.85 -0.78 0.39 115.31 121.83 3fqa h LEU 2394Ca 0.11 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 3fqa h LEU 2394Cb 0.74 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 3fqa h LEU 2394CO 0.06 0.60 -0.06 -0.33 -0.34 0.00 0.00 178.44 178.38 3fqa h GLU 2395N 0.90 0.00 -0.20 1.25 5.08 -0.99 -1.81 114.58 118.81 3fqa h GLU 2395Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3fqa h GLU 2395Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3fqa h GLU 2395CO -0.05 0.06 0.00 0.94 -1.00 0.00 0.00 179.01 178.96 3fqa n GLN 2396N -3.23 1.98 -0.77 2.33 -0.06 -0.33 -4.93 117.38 112.37 3fqa n GLN 2396Ca -0.00 -1.47 0.00 0.00 -2.00 0.00 0.00 57.00 53.53 3fqa n GLN 2396Cb 0.28 -1.44 0.00 0.00 -4.06 0.00 0.00 30.24 25.02 3fqa n GLN 2396CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3fqa n GLY 2397N 1.25 0.77 3.18 1.69 0.00 -0.68 -4.99 105.19 106.41 3fqa n GLY 2397Ca 0.17 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 3fqa n GLY 2397CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fqa s ILE 2398N -2.00 2.25 -0.35 -0.61 -1.09 -0.02 -1.39 121.20 117.98 3fqa s ILE 2398Ca 0.00 -0.90 -0.12 0.00 -2.23 0.00 0.00 60.65 57.40 3fqa s ILE 2398Cb 0.00 -1.93 -0.00 0.00 -1.58 0.00 0.00 42.46 38.95 3fqa s ILE 2398CO 0.00 0.53 0.23 -0.47 -1.23 0.00 0.00 174.94 174.00 3fqa s TYR 2399N 1.03 3.22 0.25 3.97 5.04 -0.53 -3.01 117.35 127.32 3fqa s TYR 2399Ca -0.02 -0.45 0.11 0.00 -2.44 0.00 0.00 57.07 54.27 3fqa s TYR 2399Cb -0.14 -2.47 -0.05 0.00 0.35 0.00 0.00 41.96 39.65 3fqa s TYR 2399CO -0.06 -0.46 -0.11 -0.51 -1.34 0.00 0.00 175.55 173.07 3fqa s LEU 2400N 1.67 2.86 0.16 6.97 1.43 -1.26 -1.13 118.68 129.39 3fqa s LEU 2400Ca 0.05 -0.79 -0.34 0.00 -1.03 0.00 0.00 54.13 52.02 3fqa s LEU 2400Cb -0.18 -1.43 -0.14 0.00 0.03 0.00 0.00 46.19 44.47 3fqa s LEU 2400CO 0.09 0.04 1.56 0.00 0.23 0.00 0.00 176.35 178.28 3fqa n ALA 2401N -0.52 1.28 -0.70 4.21 0.00 -1.26 -4.80 120.51 118.72 3fqa n ALA 2401Ca -0.07 0.45 -0.08 0.00 0.00 0.00 0.00 53.44 53.73 3fqa n ALA 2401Cb 0.58 -2.34 -0.12 0.00 0.00 0.00 0.00 19.45 17.58 3fqa n ALA 2401CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3fqa n PRO 2402N 3.34 1.41 -3.63 0.00 -0.04 -1.26 -4.72 135.00 130.10 3fqa n PRO 2402Ca 0.17 -0.70 -0.08 0.00 -0.04 0.00 0.00 63.50 62.85 3fqa n PRO 2402Cb 0.28 -1.84 -0.07 0.00 -0.04 0.00 0.00 33.50 31.84 3fqa n PRO 2402CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3fqa s SER 2403N 2.28 -0.34 0.50 3.54 0.15 -1.26 -4.60 113.70 113.98 3fqa s SER 2403Ca 0.47 0.60 0.30 0.00 0.70 0.00 0.00 55.95 58.02 3fqa s SER 2403Cb 0.22 0.60 0.98 0.00 -1.71 0.00 0.00 66.02 66.11 3fqa s SER 2403CO 0.00 -0.14 1.84 -0.61 1.20 0.00 0.00 173.24 175.53 3fqa h GLN 2404N 3.66 0.00 -1.00 5.44 5.75 -1.91 -3.20 115.11 123.84 3fqa h GLN 2404Ca -0.26 0.00 -0.50 0.00 -0.15 0.00 0.00 58.65 57.74 3fqa h GLN 2404Cb 1.18 0.00 -0.30 0.00 1.07 0.00 0.00 27.48 29.43 3fqa h GLN 2404CO 0.16 0.00 0.64 1.19 -2.65 0.00 0.00 178.83 178.16 3fqa n PHE 2405N -3.07 2.96 -4.48 3.99 3.01 -1.26 -4.35 117.46 114.27 3fqa n PHE 2405Ca 0.02 -1.83 -0.23 0.00 1.01 0.00 0.00 57.45 56.42 3fqa n PHE 2405Cb 0.39 -0.94 -0.16 0.00 -0.01 0.00 0.00 39.48 38.76 3fqa n PHE 2405CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3fqa s GLU 2406N -3.18 1.43 0.72 -1.08 0.41 -1.21 -2.03 118.70 113.75 3fqa s GLU 2406Ca 0.55 -0.33 -0.13 0.00 -0.41 0.00 0.00 54.97 54.65 3fqa s GLU 2406Cb 0.46 -1.22 0.03 0.00 -1.78 0.00 0.00 34.13 31.61 3fqa s GLU 2406CO 0.10 0.01 1.10 0.00 -0.49 0.00 0.00 175.26 175.99 3fqa s ALA 2407N 0.67 2.36 0.30 5.21 0.00 -0.64 -4.75 121.76 124.91 3fqa s ALA 2407Ca -0.13 0.42 0.06 0.00 0.00 0.00 0.00 51.96 52.31 3fqa s ALA 2407Cb -0.15 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 3fqa s ALA 2407CO 0.03 -1.53 0.44 0.20 0.00 0.00 0.00 175.76 174.90 3fqa s GLY 2408N -2.96 1.45 0.06 0.00 0.00 0.36 -4.89 107.32 101.34 3fqa s GLY 2408Ca 0.64 -1.35 0.04 0.00 0.00 0.00 0.00 44.72 44.06 3fqa s GLY 2408CO 0.48 -1.30 -0.12 -1.36 0.00 0.00 0.00 173.10 170.81 3fqa s PHE 2409N -2.12 1.03 0.27 1.90 0.40 0.20 -2.32 117.98 117.34 3fqa s PHE 2409Ca 0.41 -0.44 0.12 0.00 -0.60 0.00 0.00 56.93 56.41 3fqa s PHE 2409Cb -0.09 -0.59 -0.05 0.00 0.51 0.00 0.00 43.02 42.80 3fqa s PHE 2409CO 0.31 0.01 -0.19 0.99 0.70 0.00 0.00 175.22 177.04 3fqa s THR 2410N -1.21 2.54 0.19 0.64 2.01 -1.01 -4.34 115.64 114.46 3fqa s THR 2410Ca -0.04 -2.36 0.01 0.00 0.31 0.00 0.00 61.69 59.61 3fqa s THR 2410Cb -0.09 -2.33 -0.05 0.00 0.01 0.00 0.00 72.50 70.04 3fqa s THR 2410CO 0.01 -0.38 0.04 -0.94 -0.69 0.00 0.00 174.62 172.66 3fqa s SER 2411N -3.48 1.01 0.19 3.53 1.04 -1.26 -4.77 113.70 109.96 3fqa s SER 2411Ca 0.30 -1.25 0.20 0.00 0.48 0.00 0.00 55.95 55.68 3fqa s SER 2411Cb -0.05 0.17 0.87 0.00 0.10 0.00 0.00 66.02 67.11 3fqa s SER 2411CO 0.15 -0.65 1.62 0.18 0.98 0.00 0.00 173.24 175.52 3fqa n LEU 2412N -0.28 0.47 0.11 2.42 4.77 0.52 -2.06 117.00 122.96 3fqa n LEU 2412Ca -0.04 0.63 0.12 0.00 -0.03 0.00 0.00 56.01 56.68 3fqa n LEU 2412Cb 0.64 -0.58 0.09 0.00 -2.33 0.00 0.00 43.42 41.25 3fqa n LEU 2412CO 0.34 -0.52 0.27 0.00 -1.33 0.00 0.00 177.39 176.16 3fqa h ALA 2413N 2.29 0.62 -2.60 -1.18 0.00 -1.79 -3.46 119.26 113.13 3fqa h ALA 2413Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 3fqa h ALA 2413Cb 0.29 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.12 3fqa h ALA 2413CO 0.00 0.00 0.77 -1.01 0.00 0.00 0.00 179.25 179.01 3fqa s HIS 2414N -3.27 3.16 0.39 0.00 3.76 -0.87 -4.53 115.29 113.93 3fqa s HIS 2414Ca 0.03 0.88 0.08 0.00 -0.15 0.00 0.00 55.06 55.90 3fqa s HIS 2414Cb 0.10 -3.77 -0.00 0.00 1.11 0.00 0.00 32.58 30.02 3fqa s HIS 2414CO 0.74 -2.71 0.50 0.95 -0.85 0.00 0.00 174.74 173.38 3fqa s THR 2415N 0.88 3.25 0.30 1.30 -4.23 -1.26 -4.95 115.64 110.93 3fqa s THR 2415Ca 0.65 -1.07 -0.00 0.00 -1.18 0.00 0.00 61.69 60.09 3fqa s THR 2415Cb -0.40 -3.11 0.27 0.00 1.34 0.00 0.00 72.50 70.61 3fqa s THR 2415CO 0.33 -0.05 1.94 -0.08 -0.54 0.00 0.00 174.62 176.22 3fqa h GLU 2416N 0.79 1.02 -0.36 3.99 4.57 -2.00 -1.71 114.58 120.88 3fqa h GLU 2416Ca -0.42 -0.06 -0.11 0.00 -1.18 0.00 0.00 59.36 57.59 3fqa h GLU 2416Cb 1.27 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 29.61 3fqa h GLU 2416CO 0.49 0.68 -0.21 0.93 -1.18 0.00 0.00 179.01 179.72 3fqa h GLU 2417N 1.05 0.69 -0.77 1.92 5.08 -1.99 -1.48 114.58 119.09 3fqa h GLU 2417Ca 0.35 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 3fqa h GLU 2417Cb 0.06 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 3fqa h GLU 2417CO -0.11 0.85 0.32 -0.44 -1.00 0.00 0.00 179.01 178.63 3fqa h ASP 2418N 0.61 1.06 0.09 1.42 3.32 -1.71 -0.47 116.42 120.75 3fqa h ASP 2418Ca 0.09 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 3fqa h ASP 2418Cb 0.69 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3fqa h ASP 2418CO 0.05 0.94 -0.05 0.40 -1.72 0.00 0.00 179.24 178.86 3fqa h ILE 2419N 1.11 0.96 -0.68 0.35 1.08 -1.10 -1.80 117.51 117.44 3fqa h ILE 2419Ca 0.26 -0.18 0.04 0.00 -0.39 0.00 0.00 64.86 64.59 3fqa h ILE 2419Cb 0.20 1.08 -0.05 0.00 -3.07 0.00 0.00 36.82 34.98 3fqa h ILE 2419CO -0.02 0.05 0.40 0.44 -0.69 0.00 0.00 178.15 178.32 3fqa h ASP 2420N -0.21 0.63 0.07 1.72 3.32 -1.01 -0.89 116.42 120.04 3fqa h ASP 2420Ca -0.01 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3fqa h ASP 2420Cb 0.17 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 3fqa h ASP 2420CO 0.02 0.42 -0.08 0.00 -1.72 0.00 0.00 179.24 177.88 3fqa h ALA 2421N 1.32 1.82 -0.04 3.45 0.00 -0.92 -0.44 119.26 124.46 3fqa h ALA 2421Ca 0.29 -0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.90 3fqa h ALA 2421Cb 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3fqa h ALA 2421CO -0.15 0.13 -0.85 1.15 0.00 0.00 0.00 179.25 179.54 3fqa h THR 2422N 0.04 1.37 -0.29 0.00 2.02 -0.31 -2.03 112.91 113.70 3fqa h THR 2422Ca 0.01 -2.28 -0.11 0.00 0.77 0.00 0.00 66.41 64.80 3fqa h THR 2422Cb 0.16 2.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 3fqa h THR 2422CO 0.01 0.69 -0.24 -0.07 0.37 0.00 0.00 175.52 176.28 3fqa h LEU 2423N 0.29 0.71 -0.97 2.58 3.38 -0.59 -0.59 115.31 120.13 3fqa h LEU 2423Ca -0.06 -0.45 0.03 0.00 0.09 0.00 0.00 57.88 57.48 3fqa h LEU 2423Cb 1.47 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.96 3fqa h LEU 2423CO 0.15 1.02 0.63 0.00 0.09 0.00 0.00 178.44 180.33 3fqa h ALA 2424N 0.72 1.27 -0.19 1.53 0.00 -1.07 -0.74 119.26 120.77 3fqa h ALA 2424Ca 0.05 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3fqa h ALA 2424Cb 0.80 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3fqa h ALA 2424CO 0.06 0.54 -0.41 0.00 0.00 0.00 0.00 179.25 179.44 3fqa h ALA 2425N 1.39 0.94 -0.14 0.00 0.00 -1.18 -2.70 119.26 117.56 3fqa h ALA 2425Ca 0.38 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3fqa h ALA 2425Cb -0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3fqa h ALA 2425CO -0.11 0.63 -0.41 0.00 0.00 0.00 0.00 179.25 179.35 3fqa h ALA 2426N 1.20 1.03 -0.07 0.00 0.00 -0.04 -1.85 119.26 119.53 3fqa h ALA 2426Ca 0.03 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 3fqa h ALA 2426Cb 0.88 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 3fqa h ALA 2426CO 0.07 0.61 -0.04 -0.09 0.00 0.00 0.00 179.25 179.81 3fqa h ARG 2427N 0.27 0.15 -0.48 0.00 2.43 -1.04 -0.07 114.38 115.64 3fqa h ARG 2427Ca 0.02 -0.07 0.08 0.00 -0.81 0.00 0.00 59.98 59.20 3fqa h ARG 2427Cb 0.85 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.33 3fqa h ARG 2427CO 0.07 0.52 0.12 1.15 -1.51 0.00 0.00 179.97 180.33 3fqa h THR 2428N -0.23 0.77 0.44 0.20 2.02 -1.39 -0.35 112.91 114.36 3fqa h THR 2428Ca 0.02 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 3fqa h THR 2428Cb 0.48 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 3fqa h THR 2428CO 0.01 0.05 -0.21 0.58 0.37 0.00 0.00 175.52 176.32 3fqa h VAL 2429N 0.27 0.48 0.00 3.16 2.07 -1.25 -3.22 116.25 117.77 3fqa h VAL 2429Ca 0.24 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 3fqa h VAL 2429Cb 0.30 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3fqa h VAL 2429CO -0.29 0.07 -0.12 0.24 0.02 0.00 0.00 177.57 177.50 3fqa h MET 2430N -0.89 0.00 0.00 1.57 2.07 -0.92 -1.36 114.93 115.41 3fqa h MET 2430Ca -0.06 0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 57.55 3fqa h MET 2430Cb 0.57 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.29 3fqa h MET 2430CO 0.10 0.12 -0.09 0.77 1.07 0.00 0.00 176.91 178.88 3fqa h SER 2431N 0.00 0.00 0.00 1.22 0.02 -1.07 -3.37 113.55 110.35 3fqa h SER 2431Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3fqa h SER 2431Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 3fqa h SER 2431CO 0.02 0.09 0.00 0.00 -1.14 0.00 0.00 176.83 175.79 3fqa n ALA 2432N -2.47 0.00 -0.05 3.77 0.00 -0.52 -5.11 120.51 116.12 3fqa n ALA 2432Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3fqa n ALA 2432Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.62 3fqa n ALA 2432CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78