#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b6l s VAL 2002N 0.00 5.42 0.46 3.15 1.01 -1.26 -1.23 120.40 127.95 3b6l s VAL 2002Ca 0.00 -2.02 -0.24 0.00 0.00 0.00 0.00 61.98 59.71 3b6l s VAL 2002Cb 0.00 -4.42 -0.07 0.00 0.00 0.00 0.00 36.38 31.89 3b6l s VAL 2002CO 0.00 -0.97 1.35 -0.36 0.00 0.00 0.00 175.10 175.12 3b6l s PHE 2003N 0.85 2.55 0.73 5.22 0.08 -0.25 -4.98 117.98 122.18 3b6l s PHE 2003Ca 0.12 1.36 -0.11 0.00 0.12 0.00 0.00 56.93 58.41 3b6l s PHE 2003Cb -0.19 -3.77 0.03 0.00 -0.57 0.00 0.00 43.02 38.52 3b6l s PHE 2003CO -0.04 -2.57 1.07 0.20 -0.10 0.00 0.00 175.22 173.79 3b6l s GLY 2004N -0.76 1.66 0.11 4.36 0.00 -1.26 -4.82 107.32 106.61 3b6l s GLY 2004Ca 0.63 0.03 -0.27 0.00 0.00 0.00 0.00 44.72 45.11 3b6l s GLY 2004CO 0.50 0.37 1.64 -0.09 0.00 0.00 0.00 173.10 175.52 3b6l h ARG 2005N -0.85 -0.45 -0.12 2.90 2.43 -1.96 -1.01 114.38 115.32 3b6l h ARG 2005Ca -0.45 0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 58.57 3b6l h ARG 2005Cb 1.23 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.88 3b6l h ARG 2005CO 0.57 -0.30 -0.67 0.00 -1.51 0.00 0.00 179.97 178.05 3b6l h GLU 2007N 0.36 0.53 -0.29 0.00 4.81 -1.93 -1.74 114.58 116.33 3b6l h GLU 2007Ca -0.02 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3b6l h GLU 2007Cb 1.24 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 3b6l h GLU 2007CO 0.12 0.35 0.13 1.25 -0.73 0.00 0.00 179.01 180.14 3b6l h LEU 2008N 0.55 0.39 -0.61 1.64 5.85 -1.08 -1.29 115.31 120.75 3b6l h LEU 2008Ca 0.15 -0.14 0.13 0.00 0.84 0.00 0.00 57.88 58.86 3b6l h LEU 2008Cb -0.06 -0.10 -0.10 0.00 0.37 0.00 0.00 40.66 40.77 3b6l h LEU 2008CO -0.03 0.41 0.03 0.00 -0.34 0.00 0.00 178.44 178.52 3b6l h ALA 2009N 0.99 0.64 -0.52 1.25 0.00 -1.37 0.78 119.26 121.03 3b6l h ALA 2009Ca 0.10 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3b6l h ALA 2009Cb 0.14 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3b6l h ALA 2009CO -0.01 -0.38 0.23 0.00 0.00 0.00 0.00 179.25 179.09 3b6l h ALA 2010N 1.55 0.67 -0.11 0.00 0.00 -0.73 0.48 119.26 121.11 3b6l h ALA 2010Ca 0.32 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3b6l h ALA 2010Cb 0.52 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3b6l h ALA 2010CO -0.50 0.26 0.04 0.00 0.00 0.00 0.00 179.25 179.05 3b6l h ALA 2011N 1.07 0.14 -0.26 0.00 0.00 -0.06 0.99 119.26 121.15 3b6l h ALA 2011Ca 0.18 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.05 3b6l h ALA 2011Cb 0.15 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 3b6l h ALA 2011CO -0.02 -0.27 -0.12 0.52 0.00 0.00 0.00 179.25 179.36 3b6l h MET 2012N 0.02 -0.08 0.00 0.00 2.86 1.00 -0.09 114.93 118.63 3b6l h MET 2012Ca 0.04 0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.60 3b6l h MET 2012Cb 0.17 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 3b6l h MET 2012CO -0.00 -0.05 -0.41 -0.22 1.06 0.00 0.00 176.91 177.29 3b6l h LYS 2013N -0.08 0.00 -0.55 1.72 3.64 0.12 -1.62 116.57 119.80 3b6l h LYS 2013Ca 0.14 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.45 3b6l h LYS 2013Cb 0.29 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 3b6l h LYS 2013CO -0.32 0.41 0.06 -0.09 -2.27 0.00 0.00 179.45 177.24 3b6l h ARG 2014N 0.00 0.90 -0.60 1.90 1.12 0.22 -3.16 114.38 114.76 3b6l h ARG 2014Ca -0.00 -0.23 0.00 0.00 -1.11 0.00 0.00 59.98 58.63 3b6l h ARG 2014Cb 0.84 -0.11 0.00 0.00 -0.01 0.00 0.00 29.97 30.69 3b6l h ARG 2014CO 0.05 0.86 0.00 0.72 -3.11 0.00 0.00 179.97 178.49 3b6l n HIS 2015N -4.22 0.61 -1.91 2.20 8.25 -0.16 -4.90 115.22 115.09 3b6l n HIS 2015Ca 0.03 -0.24 -0.05 0.00 -0.26 0.00 0.00 57.72 57.21 3b6l n HIS 2015Cb 0.29 -0.15 -0.01 0.00 1.12 0.00 0.00 29.99 31.24 3b6l n HIS 2015CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3b6l n GLY 2016N 0.55 0.28 0.08 -1.41 0.00 -1.17 -4.94 105.19 98.58 3b6l n GLY 2016Ca 0.10 -0.71 0.10 0.00 0.00 0.00 0.00 46.02 45.51 3b6l n GLY 2016CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3b6l n LEU 2017N -0.68 0.59 -4.68 0.99 7.94 -0.65 -4.43 117.00 116.07 3b6l n LEU 2017Ca -0.06 0.23 -0.45 0.00 -1.11 0.00 0.00 56.01 54.63 3b6l n LEU 2017Cb 0.47 -0.03 -0.04 0.00 0.53 0.00 0.00 43.42 44.36 3b6l n LEU 2017CO 0.07 -0.11 1.41 -0.67 -1.11 0.00 0.00 177.39 176.98 3b6l n ASP 2018N -2.57 3.68 0.00 1.96 2.03 -1.26 -2.26 116.55 118.13 3b6l n ASP 2018Ca -0.02 1.01 0.00 0.00 0.52 0.00 0.00 54.79 56.30 3b6l n ASP 2018Cb 0.58 -1.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.50 3b6l n ASP 2018CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3b6l n ASN 2019N 5.29 -4.03 -4.70 1.67 5.03 -0.32 -4.87 115.26 113.34 3b6l n ASN 2019Ca 0.19 0.00 -0.44 0.00 0.87 0.00 0.00 54.58 55.20 3b6l n ASN 2019Cb 0.33 -3.00 -0.04 0.00 -1.02 0.00 0.00 39.78 36.06 3b6l n ASN 2019CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3b6l n TYR 2020N -2.05 2.55 -1.16 3.10 9.36 -0.96 -1.65 117.16 126.36 3b6l n TYR 2020Ca 0.00 0.11 -0.05 0.00 3.32 0.00 0.00 57.90 61.27 3b6l n TYR 2020Cb 0.32 -2.63 -0.02 0.00 -0.63 0.00 0.00 39.34 36.38 3b6l n TYR 2020CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 3b6l n ARG 2021N 3.95 -1.70 0.00 2.98 0.00 -1.26 -1.18 116.66 119.45 3b6l n ARG 2021Ca 0.17 0.66 0.00 0.00 -0.00 0.00 0.00 57.85 58.68 3b6l n ARG 2021Cb 0.33 -5.02 0.00 0.00 0.00 0.00 0.00 32.46 27.76 3b6l n ARG 2021CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3b6l n GLY 2022N 0.32 0.58 3.56 5.14 0.00 -0.66 -5.06 105.19 109.07 3b6l n GLY 2022Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 3b6l n GLY 2022CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3b6l s TYR 2023N -2.10 3.22 0.90 1.61 2.02 -0.32 -4.84 117.35 117.83 3b6l s TYR 2023Ca 0.00 0.02 -0.11 0.00 -0.37 0.00 0.00 57.07 56.61 3b6l s TYR 2023Cb 0.00 -2.57 0.13 0.00 -0.40 0.00 0.00 41.96 39.12 3b6l s TYR 2023CO 0.00 -0.35 1.09 -1.13 -1.57 0.00 0.00 175.55 173.59 3b6l n SER 2024N 5.27 0.25 -0.30 2.29 3.41 -1.26 -1.17 113.62 122.10 3b6l n SER 2024Ca -0.11 0.45 0.10 0.00 -0.26 0.00 0.00 58.87 59.05 3b6l n SER 2024Cb 0.50 -1.46 0.23 0.00 -0.26 0.00 0.00 64.21 63.22 3b6l n SER 2024CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3b6l h LEU 2025N -1.67 -0.37 -1.46 1.04 3.38 -1.89 -0.17 115.31 114.16 3b6l h LEU 2025Ca -0.44 0.23 0.09 0.00 0.09 0.00 0.00 57.88 57.85 3b6l h LEU 2025Cb 1.28 0.40 -0.04 0.00 0.09 0.00 0.00 40.66 42.38 3b6l h LEU 2025CO 0.41 -0.25 0.46 1.23 0.09 0.00 0.00 178.44 180.39 3b6l h GLY 2026N 0.08 0.85 0.97 0.83 0.00 -1.90 -0.35 103.07 103.54 3b6l h GLY 2026Ca 0.51 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 3b6l h GLY 2026CO -0.78 0.16 -0.09 3.43 0.00 0.00 0.00 176.54 179.27 3b6l h ASN 2027N 0.62 -0.22 -0.52 0.19 2.35 -1.24 0.95 115.58 117.71 3b6l h ASN 2027Ca 0.32 0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.99 3b6l h ASN 2027Cb 0.42 0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 3b6l h ASN 2027CO -0.11 -0.15 -0.01 -0.50 -1.65 0.00 0.00 177.43 175.01 3b6l h TRP 2028N -0.23 1.05 -0.21 1.19 4.06 -1.37 -2.60 115.95 117.83 3b6l h TRP 2028Ca -0.02 -0.17 -0.14 0.00 2.06 0.00 0.00 58.89 60.62 3b6l h TRP 2028Cb 0.19 -0.28 -0.01 0.00 -1.00 0.00 0.00 29.16 28.07 3b6l h TRP 2028CO -0.08 0.94 -0.45 0.28 -3.56 0.00 0.00 178.44 175.57 3b6l h VAL 2029N 0.89 1.31 -0.53 1.49 2.07 -0.99 -2.33 116.25 118.15 3b6l h VAL 2029Ca 0.16 -1.65 -0.08 0.00 0.82 0.00 0.00 66.70 65.96 3b6l h VAL 2029Cb 0.54 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 3b6l h VAL 2029CO 0.03 0.51 0.04 0.00 0.02 0.00 0.00 177.57 178.17 3b6l h ALA 2031N 0.96 1.11 0.51 0.00 0.00 -1.45 -2.46 119.26 117.93 3b6l h ALA 2031Ca 0.15 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3b6l h ALA 2031Cb 0.48 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3b6l h ALA 2031CO 0.02 0.59 -0.24 0.00 0.00 0.00 0.00 179.25 179.61 3b6l h ALA 2032N 1.28 -0.68 -0.58 0.00 0.00 -0.98 0.61 119.26 118.89 3b6l h ALA 2032Ca 0.31 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.13 3b6l h ALA 2032Cb -0.02 0.26 -0.11 0.00 0.00 0.00 0.00 17.79 17.92 3b6l h ALA 2032CO -0.06 -0.83 -0.44 -0.22 0.00 0.00 0.00 179.25 177.71 3b6l h LYS 2033N -0.79 -0.22 0.00 0.00 1.63 -1.27 -0.48 116.57 115.43 3b6l h LYS 2033Ca -0.07 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 3b6l h LYS 2033Cb 0.57 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.25 3b6l h LYS 2033CO 0.11 -0.15 -0.38 1.19 -3.45 0.00 0.00 179.45 176.78 3b6l n PHE 2034N -5.40 0.20 -0.05 1.91 0.99 -0.93 -0.03 117.46 114.14 3b6l n PHE 2034Ca 0.02 0.06 -0.21 0.00 -0.00 0.00 0.00 57.45 57.31 3b6l n PHE 2034Cb 0.35 -0.45 -0.13 0.00 -1.00 0.00 0.00 39.48 38.25 3b6l n PHE 2034CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 3b6l h GLU 2035N 0.00 0.12 0.00 -1.08 4.39 0.81 -3.43 114.58 115.38 3b6l h GLU 2035Ca 0.00 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.49 3b6l h GLU 2035Cb 0.57 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 3b6l h GLU 2035CO 0.00 1.10 0.00 -1.13 -1.16 0.00 0.00 179.01 177.82 3b6l n SER 2036N -4.09 0.30 -1.76 1.42 3.41 -0.28 -4.88 113.62 107.73 3b6l n SER 2036Ca -0.29 -0.78 -0.18 0.00 -0.26 0.00 0.00 58.87 57.36 3b6l n SER 2036Cb 0.81 0.12 -0.06 0.00 -0.26 0.00 0.00 64.21 64.82 3b6l n SER 2036CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3b6l n ASN 2037N -0.12 -4.93 0.00 4.04 5.15 0.95 -2.22 115.26 118.13 3b6l n ASN 2037Ca 0.00 0.34 0.00 0.00 -0.60 0.00 0.00 54.58 54.32 3b6l n ASN 2037Cb 0.10 -4.34 0.00 0.00 -0.53 0.00 0.00 39.78 35.02 3b6l n ASN 2037CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 3b6l n PHE 2038N -2.63 0.00 -3.36 1.20 3.72 -1.22 -4.88 117.46 110.29 3b6l n PHE 2038Ca -0.19 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.77 3b6l n PHE 2038Cb 0.62 -0.17 -0.08 0.00 -0.94 0.00 0.00 39.48 38.91 3b6l n PHE 2038CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3b6l s ASN 2039N -2.34 6.16 0.19 4.37 3.84 -0.94 -1.09 114.94 125.13 3b6l s ASN 2039Ca 0.00 -1.20 0.14 0.00 0.21 0.00 0.00 52.86 52.00 3b6l s ASN 2039Cb 0.00 -2.20 0.71 0.00 -0.55 0.00 0.00 41.25 39.21 3b6l s ASN 2039CO 0.00 -0.66 1.41 0.35 -2.79 0.00 0.00 177.10 175.42 3b6l n THR 2040N 5.26 1.38 -0.61 -5.21 -2.24 -0.36 -1.99 114.28 110.51 3b6l n THR 2040Ca -0.11 0.60 0.09 0.00 -2.27 0.00 0.00 64.05 62.36 3b6l n THR 2040Cb 0.44 -1.58 0.32 0.00 -2.10 0.00 0.00 70.33 67.41 3b6l n THR 2040CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3b6l n GLN 2041N -1.95 3.54 -2.66 -0.78 6.02 -1.26 -3.89 117.38 116.41 3b6l n GLN 2041Ca -0.00 -2.79 -0.40 0.00 -0.01 0.00 0.00 57.00 53.80 3b6l n GLN 2041Cb 0.04 -1.81 -0.05 0.00 1.02 0.00 0.00 30.24 29.43 3b6l n GLN 2041CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3b6l s ALA 2042N -1.84 3.36 0.06 -1.58 0.00 -0.84 -4.86 121.76 116.05 3b6l s ALA 2042Ca 0.47 0.71 0.06 0.00 0.00 0.00 0.00 51.96 53.19 3b6l s ALA 2042Cb 0.31 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 20.15 3b6l s ALA 2042CO 0.22 0.09 -0.16 0.95 0.00 0.00 0.00 175.76 176.87 3b6l s THR 2043N -1.19 1.24 -0.17 0.00 -4.23 -1.26 -1.33 115.64 108.70 3b6l s THR 2043Ca 0.42 -1.20 -0.05 0.00 -1.18 0.00 0.00 61.69 59.68 3b6l s THR 2043Cb -0.28 -1.14 0.08 0.00 1.34 0.00 0.00 72.50 72.50 3b6l s THR 2043CO 0.35 -0.07 0.32 0.20 -0.54 0.00 0.00 174.62 174.87 3b6l s ASN 2044N -1.47 0.26 0.05 3.99 0.01 -0.42 -4.98 114.94 112.39 3b6l s ASN 2044Ca 0.01 0.58 -0.24 0.00 -0.71 0.00 0.00 52.86 52.50 3b6l s ASN 2044Cb -0.09 0.91 -0.06 0.00 0.41 0.00 0.00 41.25 42.42 3b6l s ASN 2044CO 0.02 -0.25 0.75 -0.60 -1.51 0.00 0.00 177.10 175.50 3b6l s ARG 2045N 2.48 4.48 0.42 -0.60 6.06 -1.26 -0.86 118.95 129.67 3b6l s ARG 2045Ca 0.02 1.04 -0.09 0.00 -2.50 0.00 0.00 55.73 54.20 3b6l s ARG 2045Cb -0.13 -3.35 -0.06 0.00 0.06 0.00 0.00 34.95 31.48 3b6l s ARG 2045CO -0.11 0.33 0.76 -0.80 -2.50 0.00 0.00 175.30 172.98 3b6l s ASN 2046N -0.20 6.45 0.28 -2.12 -0.87 0.66 -4.97 114.94 114.17 3b6l s ASN 2046Ca 0.37 1.06 0.00 0.00 -1.57 0.00 0.00 52.86 52.73 3b6l s ASN 2046Cb -0.21 -2.29 0.66 0.00 -0.02 0.00 0.00 41.25 39.39 3b6l s ASN 2046CO 0.23 -0.43 1.65 0.71 -2.57 0.00 0.00 177.10 176.68 3b6l h THR 2047N 0.89 0.33 0.00 1.60 1.35 -1.97 -1.22 112.91 113.89 3b6l h THR 2047Ca -0.47 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 3b6l h THR 2047Cb 1.19 0.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 3b6l h THR 2047CO 0.63 0.04 0.00 -0.90 -0.25 0.00 0.00 175.52 175.04 3b6l n ASP 2048N -5.24 0.00 0.00 5.36 5.75 -1.26 -4.80 116.55 116.36 3b6l n ASP 2048Ca 0.20 -0.96 0.00 0.00 -0.01 0.00 0.00 54.79 54.02 3b6l n ASP 2048Cb 0.64 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.73 3b6l n ASP 2048CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3b6l n GLY 2049N 0.20 1.02 3.94 6.12 0.00 -0.46 -5.01 105.19 111.01 3b6l n GLY 2049Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 3b6l n GLY 2049CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3b6l s SER 2050N -2.90 3.67 -0.00 1.61 1.04 -1.25 -4.64 113.70 111.22 3b6l s SER 2050Ca 0.00 0.19 -0.00 0.00 0.48 0.00 0.00 55.95 56.61 3b6l s SER 2050Cb 0.00 -0.40 -0.00 0.00 0.10 0.00 0.00 66.02 65.72 3b6l s SER 2050CO 0.00 -2.36 0.00 -0.89 0.98 0.00 0.00 173.24 170.97 3b6l s THR 2051N -3.64 0.01 -0.12 2.02 2.01 -1.26 -0.24 115.64 114.42 3b6l s THR 2051Ca 0.70 -0.05 -0.13 0.00 0.31 0.00 0.00 61.69 62.52 3b6l s THR 2051Cb -0.05 -0.03 -0.05 0.00 0.01 0.00 0.00 72.50 72.38 3b6l s THR 2051CO 0.50 -0.03 0.29 -1.81 -0.69 0.00 0.00 174.62 172.89 3b6l s ASP 2052N -0.07 6.51 0.00 3.53 1.01 -0.04 -1.24 116.67 126.37 3b6l s ASP 2052Ca -0.01 0.60 0.08 0.00 0.71 0.00 0.00 52.55 53.93 3b6l s ASP 2052Cb -0.01 -2.18 -0.02 0.00 1.01 0.00 0.00 42.92 41.72 3b6l s ASP 2052CO -0.00 0.19 -0.24 -0.31 0.21 0.00 0.00 175.17 175.02 3b6l s TYR 2053N -0.08 2.16 0.00 4.23 2.02 -0.62 -1.30 117.35 123.75 3b6l s TYR 2053Ca 0.18 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.47 3b6l s TYR 2053Cb -0.14 -1.35 0.00 0.00 -0.40 0.00 0.00 41.96 40.07 3b6l s TYR 2053CO 0.06 0.02 0.00 0.41 -1.57 0.00 0.00 175.55 174.47 3b6l n GLY 2054N 2.24 -3.35 0.48 0.71 0.00 -0.45 -0.53 105.19 104.29 3b6l n GLY 2054Ca -0.16 -1.84 0.32 0.00 0.00 0.00 0.00 46.02 44.34 3b6l n GLY 2054CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3b6l h ILE 2055N 0.00 0.35 0.00 -0.61 6.09 -1.70 -1.75 117.51 119.89 3b6l h ILE 2055Ca 0.00 -0.06 0.00 0.00 -1.37 0.00 0.00 64.86 63.43 3b6l h ILE 2055Cb 0.00 0.17 0.00 0.00 0.47 0.00 0.00 36.82 37.46 3b6l h ILE 2055CO 0.00 0.03 0.00 0.18 -3.07 0.00 0.00 178.15 175.29 3b6l n LEU 2056N -4.45 1.97 -3.73 2.19 4.77 -1.26 -4.03 117.00 112.46 3b6l n LEU 2056Ca 0.30 -1.97 -0.24 0.00 -0.03 0.00 0.00 56.01 54.06 3b6l n LEU 2056Cb 1.22 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 42.35 3b6l n LEU 2056CO 0.30 0.49 0.03 0.00 -1.33 0.00 0.00 177.39 176.89 3b6l n GLN 2057N -0.49 -5.53 -1.99 3.23 1.13 -0.52 -4.88 117.38 108.32 3b6l n GLN 2057Ca 0.00 0.65 -0.42 0.00 -1.94 0.00 0.00 57.00 55.29 3b6l n GLN 2057Cb 0.25 -5.40 -0.03 0.00 0.11 0.00 0.00 30.24 25.17 3b6l n GLN 2057CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3b6l s ILE 2058N -3.50 3.19 0.21 5.09 1.01 0.31 -4.24 121.20 123.27 3b6l s ILE 2058Ca 0.26 0.61 -0.30 0.00 0.00 0.00 0.00 60.65 61.22 3b6l s ILE 2058Cb -0.12 -3.39 -0.08 0.00 0.01 0.00 0.00 42.46 38.87 3b6l s ILE 2058CO 0.80 -0.00 1.00 0.21 0.00 0.00 0.00 174.94 176.95 3b6l s ASN 2059N 2.34 7.48 0.14 3.58 3.84 -1.26 -1.60 114.94 129.46 3b6l s ASN 2059Ca 0.72 2.00 0.27 0.00 0.21 0.00 0.00 52.86 56.06 3b6l s ASN 2059Cb -0.38 -2.61 0.96 0.00 -0.55 0.00 0.00 41.25 38.67 3b6l s ASN 2059CO 0.31 -0.01 1.83 -1.54 -2.79 0.00 0.00 177.10 174.90 3b6l n SER 2060N 1.85 0.54 0.27 -4.21 3.41 -0.37 -2.80 113.62 112.31 3b6l n SER 2060Ca -0.00 0.55 0.18 0.00 -0.26 0.00 0.00 58.87 59.34 3b6l n SER 2060Cb 0.47 -0.69 0.90 0.00 -0.26 0.00 0.00 64.21 64.63 3b6l n SER 2060CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3b6l h ARG 2061N 0.00 0.00 0.00 4.33 2.43 -1.83 -3.38 114.38 115.93 3b6l h ARG 2061Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3b6l h ARG 2061Cb 0.65 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 3b6l h ARG 2061CO 0.00 0.00 -0.16 0.91 -1.51 0.00 0.00 179.97 179.21 3b6l n TRP 2062N -2.80 0.00 -0.01 2.20 5.03 -1.20 -1.52 117.44 119.13 3b6l n TRP 2062Ca -0.01 0.00 0.07 0.00 3.03 0.00 0.00 57.50 60.59 3b6l n TRP 2062Cb 0.12 0.00 -0.11 0.00 -1.03 0.00 0.00 31.31 30.29 3b6l n TRP 2062CO 0.00 0.00 0.00 0.91 -0.03 0.00 0.00 177.69 178.57 3b6l n TRP 2063N -1.62 0.00 -3.96 -5.99 7.02 -1.12 0.90 117.44 112.66 3b6l n TRP 2063Ca 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.39 3b6l n TRP 2063Cb 0.08 -0.34 -0.10 0.00 -2.42 0.00 0.00 31.31 28.54 3b6l n TRP 2063CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3b6l s ASN 2065N -2.14 6.17 0.00 0.00 2.47 -0.65 -4.60 114.94 116.20 3b6l s ASN 2065Ca -0.05 0.18 0.00 0.00 0.42 0.00 0.00 52.86 53.41 3b6l s ASN 2065Cb -0.01 -2.16 -0.00 0.00 -1.45 0.00 0.00 41.25 37.63 3b6l s ASN 2065CO -0.05 -0.07 0.02 -0.90 -3.72 0.00 0.00 177.10 172.38 3b6l n ASP 2066N 4.90 0.03 0.00 -4.21 5.75 -1.26 -0.58 116.55 121.17 3b6l n ASP 2066Ca -0.12 -0.51 0.00 0.00 -0.01 0.00 0.00 54.79 54.15 3b6l n ASP 2066Cb 0.51 0.97 0.00 0.00 -1.03 0.00 0.00 41.12 41.58 3b6l n ASP 2066CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3b6l n GLY 2067N 0.98 0.74 0.24 6.12 0.00 -1.26 -4.85 105.19 107.15 3b6l n GLY 2067Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3b6l n GLY 2067CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3b6l n ARG 2068N -2.43 0.00 -3.63 1.61 1.85 -1.26 -4.94 116.66 107.87 3b6l n ARG 2068Ca 0.00 -0.74 -0.33 0.00 -1.00 0.00 0.00 57.85 55.78 3b6l n ARG 2068Cb 0.00 -0.50 -0.07 0.00 -1.05 0.00 0.00 32.46 30.84 3b6l n ARG 2068CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 3b6l n THR 2069N 0.00 2.77 -1.56 8.89 -1.04 -1.26 -4.83 114.28 117.25 3b6l n THR 2069Ca 0.00 -5.13 -0.43 0.00 -2.04 0.00 0.00 64.05 56.45 3b6l n THR 2069Cb 0.60 -2.28 -0.00 0.00 -1.82 0.00 0.00 70.33 66.83 3b6l n THR 2069CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3b6l n PRO 2070N 1.95 1.10 -0.40 -2.82 -0.02 -1.26 -1.44 135.00 132.11 3b6l n PRO 2070Ca 0.23 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3b6l n PRO 2070Cb 0.37 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 3b6l n PRO 2070CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3b6l n GLY 2071N 1.38 0.69 3.74 -1.23 0.00 -1.26 -4.98 105.19 103.53 3b6l n GLY 2071Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 3b6l n GLY 2071CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3b6l s SER 2072N -2.53 3.71 0.34 1.61 1.04 -0.52 -5.08 113.70 112.27 3b6l s SER 2072Ca 0.00 1.39 0.08 0.00 0.48 0.00 0.00 55.95 57.90 3b6l s SER 2072Cb 0.00 -2.08 -0.03 0.00 0.10 0.00 0.00 66.02 64.01 3b6l s SER 2072CO 0.00 -2.47 0.25 -0.13 0.98 0.00 0.00 173.24 171.87 3b6l s ARG 2073N -5.02 2.61 -0.48 4.02 1.81 -0.58 -4.98 118.95 116.35 3b6l s ARG 2073Ca 0.63 -1.38 0.08 0.00 -1.72 0.00 0.00 55.73 53.34 3b6l s ARG 2073Cb -0.17 -2.38 0.32 0.00 -0.45 0.00 0.00 34.95 32.27 3b6l s ARG 2073CO 0.56 0.08 0.76 -1.71 -0.68 0.00 0.00 175.30 174.32 3b6l n ASN 2074N -1.32 2.26 0.19 0.23 4.05 -1.15 -3.38 115.26 116.14 3b6l n ASN 2074Ca -0.02 -3.23 0.05 0.00 0.45 0.00 0.00 54.58 51.84 3b6l n ASN 2074Cb 0.60 -0.61 0.52 0.00 1.23 0.00 0.00 39.78 41.52 3b6l n ASN 2074CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 3b6l h LEU 2075N 3.33 0.09 -3.77 1.20 -0.00 0.46 -2.40 115.31 114.23 3b6l h LEU 2075Ca 0.12 -0.01 -0.37 0.00 -0.00 0.00 0.00 57.88 57.62 3b6l h LEU 2075Cb 0.77 -0.02 -0.22 0.00 -0.00 0.00 0.00 40.66 41.18 3b6l h LEU 2075CO 0.64 0.18 0.46 0.00 -0.00 0.00 0.00 178.44 179.72 3b6l n ASN 2077N -0.64 -3.41 -3.65 0.00 5.03 -0.90 -4.97 115.26 106.72 3b6l n ASN 2077Ca 0.49 -1.26 -0.15 0.00 0.87 0.00 0.00 54.58 54.53 3b6l n ASN 2077Cb 1.50 -1.90 -0.08 0.00 -1.02 0.00 0.00 39.78 38.28 3b6l n ASN 2077CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 3b6l s ILE 2078N -3.66 0.03 0.13 2.41 2.07 -1.26 -5.08 121.20 115.84 3b6l s ILE 2078Ca 0.41 -0.24 -0.31 0.00 -1.41 0.00 0.00 60.65 59.11 3b6l s ILE 2078Cb -0.21 -0.79 -0.07 0.00 0.13 0.00 0.00 42.46 41.52 3b6l s ILE 2078CO 0.96 -0.13 1.29 -2.16 -1.91 0.00 0.00 174.94 172.99 3b6l s PRO 2079N -1.14 4.39 0.57 3.50 0.04 -1.26 -1.63 135.00 139.47 3b6l s PRO 2079Ca -0.11 1.96 0.27 0.00 0.04 0.00 0.00 61.00 63.15 3b6l s PRO 2079Cb -0.03 -3.26 1.54 0.00 0.04 0.00 0.00 34.50 32.79 3b6l s PRO 2079CO 0.06 -0.29 2.05 0.00 0.04 0.00 0.00 177.00 178.86 3b6l h SER 2081N 0.00 0.07 0.00 0.00 4.64 -1.91 -1.55 113.55 114.79 3b6l h SER 2081Ca 0.14 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3b6l h SER 2081Cb 0.69 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3b6l h SER 2081CO -0.00 0.18 0.05 0.00 -0.87 0.00 0.00 176.83 176.19 3b6l h ALA 2082N 1.83 1.05 -0.00 5.18 0.00 -0.78 -1.20 119.26 125.34 3b6l h ALA 2082Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3b6l h ALA 2082Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3b6l h ALA 2082CO 0.01 -0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.49 3b6l n LEU 2083N -2.88 0.10 -0.22 0.00 4.77 -0.58 -3.40 117.00 114.78 3b6l n LEU 2083Ca -0.03 -0.03 0.06 0.00 -0.03 0.00 0.00 56.01 55.98 3b6l n LEU 2083Cb 0.11 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.19 3b6l n LEU 2083CO 0.17 0.02 0.18 0.18 -1.33 0.00 0.00 177.39 176.61 3b6l n LEU 2084N -0.90 1.20 -4.69 2.23 4.77 -0.45 -3.70 117.00 115.45 3b6l n LEU 2084Ca 0.23 -0.71 -0.33 0.00 -0.03 0.00 0.00 56.01 55.16 3b6l n LEU 2084Cb 0.12 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.34 3b6l n LEU 2084CO 0.17 0.24 0.76 -0.55 -1.33 0.00 0.00 177.39 176.68 3b6l s SER 2085N -1.65 3.50 0.46 -1.43 0.15 -1.22 -3.98 113.70 109.53 3b6l s SER 2085Ca 0.09 2.34 0.23 0.00 0.70 0.00 0.00 55.95 59.31 3b6l s SER 2085Cb 0.10 -2.59 1.12 0.00 -1.71 0.00 0.00 66.02 62.94 3b6l s SER 2085CO 0.34 -2.73 1.94 0.77 1.20 0.00 0.00 173.24 174.76 3b6l h SER 2086N -1.03 0.00 -3.58 5.45 4.64 -1.93 -3.39 113.55 113.70 3b6l h SER 2086Ca -0.46 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.24 3b6l h SER 2086Cb 1.29 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.26 3b6l h SER 2086CO 0.45 0.21 0.34 -0.62 -0.87 0.00 0.00 176.83 176.35 3b6l s ASP 2087N -6.36 6.46 0.00 4.97 2.15 -1.26 -4.93 116.67 117.70 3b6l s ASP 2087Ca -0.02 0.08 0.12 0.00 0.43 0.00 0.00 52.55 53.16 3b6l s ASP 2087Cb 0.13 -2.38 0.70 0.00 -0.30 0.00 0.00 42.92 41.07 3b6l s ASP 2087CO 0.63 -0.81 1.37 2.30 -0.17 0.00 0.00 175.17 178.49 3b6l n ILE 2088N 5.95 0.00 -0.17 4.11 -5.35 -1.26 -4.26 119.36 118.38 3b6l n ILE 2088Ca 0.02 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.47 3b6l n ILE 2088Cb 0.48 -0.26 0.07 0.00 -1.74 0.00 0.00 39.64 38.19 3b6l n ILE 2088CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3b6l h THR 2089N 0.00 0.86 -0.51 7.28 2.02 -1.93 -0.13 112.91 120.49 3b6l h THR 2089Ca 0.00 -0.14 -0.12 0.00 0.77 0.00 0.00 66.41 66.92 3b6l h THR 2089Cb 0.00 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 3b6l h THR 2089CO 0.00 0.08 -0.13 0.00 0.37 0.00 0.00 175.52 175.83 3b6l h ALA 2090N 1.33 0.71 0.20 6.16 0.00 -1.85 -1.53 119.26 124.28 3b6l h ALA 2090Ca 0.25 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3b6l h ALA 2090Cb 0.24 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3b6l h ALA 2090CO -0.23 0.64 -0.20 0.77 0.00 0.00 0.00 179.25 180.23 3b6l h SER 2091N 0.87 -0.53 -0.07 0.00 0.02 -1.57 -0.61 113.55 111.66 3b6l h SER 2091Ca 0.13 0.05 0.04 0.00 -0.84 0.00 0.00 61.79 61.17 3b6l h SER 2091Cb 0.70 0.18 -0.05 0.00 0.14 0.00 0.00 62.40 63.38 3b6l h SER 2091CO 0.05 -0.30 -0.24 0.58 -1.14 0.00 0.00 176.83 175.78 3b6l h VAL 2092N -0.43 0.43 -0.65 2.27 2.07 -0.93 0.43 116.25 119.44 3b6l h VAL 2092Ca -0.00 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.65 3b6l h VAL 2092Cb 0.41 0.43 -0.10 0.00 -1.52 0.00 0.00 31.29 30.51 3b6l h VAL 2092CO -0.05 0.00 0.11 0.78 0.02 0.00 0.00 177.57 178.43 3b6l h ASN 2093N -0.34 -0.07 0.13 0.57 -0.26 -0.99 0.18 115.58 114.79 3b6l h ASN 2093Ca 0.08 0.13 -0.17 0.00 -0.56 0.00 0.00 56.30 55.79 3b6l h ASN 2093Cb 0.46 0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.91 3b6l h ASN 2093CO -0.26 -0.04 -0.60 0.00 -1.06 0.00 0.00 177.43 175.46 3b6l h ALA 2095N 0.99 1.60 0.00 0.00 0.00 0.14 0.13 119.26 122.11 3b6l h ALA 2095Ca -0.01 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3b6l h ALA 2095Cb 1.15 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3b6l h ALA 2095CO 0.11 0.11 -0.29 0.87 0.00 0.00 0.00 179.25 180.05 3b6l h LYS 2096N 0.90 0.00 0.16 0.00 1.57 -0.68 0.14 116.57 118.65 3b6l h LYS 2096Ca 0.52 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 59.05 3b6l h LYS 2096Cb 0.65 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.97 3b6l h LYS 2096CO -0.30 0.29 -1.21 0.87 -0.57 0.00 0.00 179.45 178.53 3b6l h LYS 2097N 0.00 0.34 0.47 3.15 6.56 -0.87 -3.20 116.57 123.02 3b6l h LYS 2097Ca -0.00 -0.58 -0.01 0.00 -1.06 0.00 0.00 60.65 59.00 3b6l h LYS 2097Cb 0.53 0.21 -0.01 0.00 -0.57 0.00 0.00 32.23 32.39 3b6l h LYS 2097CO 0.04 1.28 -0.37 0.82 -2.06 0.00 0.00 179.45 179.16 3b6l h ILE 2098N -0.21 0.25 0.00 1.86 2.04 -0.69 -2.94 117.51 117.82 3b6l h ILE 2098Ca -0.23 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.63 3b6l h ILE 2098Cb 1.82 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 3b6l h ILE 2098CO 0.15 0.00 0.07 1.62 0.00 0.00 0.00 178.15 179.99 3b6l h VAL 2099N -0.83 0.00 -0.02 1.67 3.04 -0.86 0.16 116.25 119.42 3b6l h VAL 2099Ca -0.05 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 3b6l h VAL 2099Cb 0.71 0.58 0.00 0.00 -2.01 0.00 0.00 31.29 30.56 3b6l h VAL 2099CO -0.00 0.00 -0.28 -1.20 -1.01 0.00 0.00 177.57 175.08 3b6l n SER 2100N -2.45 2.17 0.23 3.17 7.64 -1.12 -3.85 113.62 119.41 3b6l n SER 2100Ca -0.02 -1.59 0.07 0.00 1.01 0.00 0.00 58.87 58.34 3b6l n SER 2100Cb 0.11 0.26 0.55 0.00 -1.01 0.00 0.00 64.21 64.13 3b6l n SER 2100CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 3b6l h ASP 2101N 2.97 0.00 0.00 6.43 -0.00 -0.54 -3.46 116.42 121.82 3b6l h ASP 2101Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3b6l h ASP 2101Cb 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.11 3b6l h ASP 2101CO 0.00 0.16 0.00 0.61 -0.00 0.00 0.00 179.24 180.01 3b6l n GLY 2102N -1.00 1.24 1.26 -0.78 0.00 -1.26 -4.97 105.19 99.67 3b6l n GLY 2102Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.10 3b6l n GLY 2102CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3b6l n ASN 2103N 0.00 3.65 0.00 1.61 3.02 -1.26 -5.05 115.26 117.22 3b6l n ASN 2103Ca 0.00 -2.01 0.00 0.00 -0.03 0.00 0.00 54.58 52.54 3b6l n ASN 2103Cb 0.00 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 3b6l n ASN 2103CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3b6l n GLY 2104N 1.56 2.79 0.26 7.41 0.00 -1.25 -2.29 105.19 113.68 3b6l n GLY 2104Ca 0.23 -0.38 0.14 0.00 0.00 0.00 0.00 46.02 46.01 3b6l n GLY 2104CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3b6l n MET 2105N 13.75 1.36 0.30 1.61 2.81 -1.26 -3.48 117.12 132.21 3b6l n MET 2105Ca 0.00 -0.52 0.19 0.00 -1.81 0.00 0.00 57.70 55.56 3b6l n MET 2105Cb 0.00 -1.46 1.02 0.00 -0.71 0.00 0.00 33.22 32.06 3b6l n MET 2105CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 3b6l h ASN 2106N 1.23 0.00 -1.04 7.83 2.35 -1.87 -1.70 115.58 122.39 3b6l h ASN 2106Ca 0.00 0.00 0.28 0.00 -0.55 0.00 0.00 56.30 56.03 3b6l h ASN 2106Cb 0.26 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.56 3b6l h ASN 2106CO 0.00 0.00 0.70 0.00 -1.65 0.00 0.00 177.43 176.48 3b6l h ALA 2107N 1.82 2.56 -2.30 -0.83 0.00 -1.75 -3.16 119.26 115.60 3b6l h ALA 2107Ca 0.02 0.01 -0.73 0.00 0.00 0.00 0.00 54.91 54.21 3b6l h ALA 2107Cb 0.24 0.04 -0.21 0.00 0.00 0.00 0.00 17.79 17.86 3b6l h ALA 2107CO -0.00 -0.91 0.47 -1.58 0.00 0.00 0.00 179.25 177.23 3b6l s TRP 2108N -5.26 3.37 0.38 0.00 0.51 -0.64 -4.91 118.94 112.39 3b6l s TRP 2108Ca -0.07 -1.60 0.18 0.00 -2.12 0.00 0.00 56.10 52.49 3b6l s TRP 2108Cb 0.24 -4.07 1.11 0.00 -0.81 0.00 0.00 33.47 29.94 3b6l s TRP 2108CO 0.79 -1.27 1.73 -0.24 -0.51 0.00 0.00 176.95 177.45 3b6l h VAL 2109N 5.40 0.44 0.00 4.03 3.04 -1.80 0.49 116.25 127.85 3b6l h VAL 2109Ca 0.10 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.66 3b6l h VAL 2109Cb 1.04 0.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.35 3b6l h VAL 2109CO 0.96 0.07 0.00 0.00 -1.01 0.00 0.00 177.57 177.59 3b6l h ALA 2110N 1.66 1.00 0.00 3.17 0.00 -1.91 -0.68 119.26 122.51 3b6l h ALA 2110Ca 0.65 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 55.37 3b6l h ALA 2110Cb 1.63 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.43 3b6l h ALA 2110CO -0.38 0.00 -0.77 2.35 0.00 0.00 0.00 179.25 180.45 3b6l h TRP 2111N 0.00 0.77 -0.03 0.00 7.01 -0.31 -1.60 115.95 121.80 3b6l h TRP 2111Ca 0.00 -0.42 -0.18 0.00 2.11 0.00 0.00 58.89 60.40 3b6l h TRP 2111Cb 0.58 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.54 3b6l h TRP 2111CO 0.00 1.25 -0.78 0.07 -2.79 0.00 0.00 178.44 176.18 3b6l h ARG 2112N 0.08 0.23 0.00 2.65 0.11 -1.36 0.85 114.38 116.94 3b6l h ARG 2112Ca -0.10 -0.21 -0.10 0.00 0.10 0.00 0.00 59.98 59.67 3b6l h ARG 2112Cb 1.46 0.05 -0.01 0.00 1.11 0.00 0.00 29.97 32.58 3b6l h ARG 2112CO 0.15 0.90 -0.54 -0.91 0.10 0.00 0.00 179.97 179.67 3b6l h ASN 2113N 0.15 0.00 0.00 0.08 2.35 -1.21 -3.37 115.58 113.57 3b6l h ASN 2113Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3b6l h ASN 2113Cb 1.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.74 3b6l h ASN 2113CO 0.12 0.46 0.00 0.54 -1.65 0.00 0.00 177.43 176.90 3b6l n ARG 2114N -3.18 -0.34 0.00 0.81 1.74 -0.60 -4.90 116.66 110.19 3b6l n ARG 2114Ca 0.01 -0.33 0.00 0.00 -0.77 0.00 0.00 57.85 56.77 3b6l n ARG 2114Cb 0.72 -0.76 0.00 0.00 -1.02 0.00 0.00 32.46 31.40 3b6l n ARG 2114CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3b6l n LYS 2116N -2.42 1.35 -1.17 0.00 4.81 0.19 -0.97 118.16 119.95 3b6l n LYS 2116Ca 0.00 0.48 -0.06 0.00 -0.87 0.00 0.00 58.31 57.86 3b6l n LYS 2116Cb 0.29 -2.03 -0.03 0.00 0.02 0.00 0.00 35.03 33.29 3b6l n LYS 2116CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3b6l n GLY 2117N 2.11 0.75 3.94 3.14 0.00 -1.26 -4.95 105.19 108.91 3b6l n GLY 2117Ca 0.15 -0.23 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 3b6l n GLY 2117CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3b6l s THR 2118N -1.92 1.92 -1.30 2.61 -4.23 -0.14 -5.00 115.64 107.57 3b6l s THR 2118Ca 0.00 -1.33 -0.15 0.00 -1.18 0.00 0.00 61.69 59.02 3b6l s THR 2118Cb 0.00 -2.25 0.10 0.00 1.34 0.00 0.00 72.50 71.69 3b6l s THR 2118CO 0.00 0.00 1.75 -0.67 -0.54 0.00 0.00 174.62 175.16 3b6l n ASP 2119N -1.88 4.86 0.28 3.99 2.03 -1.26 -4.73 116.55 119.84 3b6l n ASP 2119Ca 0.04 -2.94 0.19 0.00 0.52 0.00 0.00 54.79 52.60 3b6l n ASP 2119Cb 0.63 -1.67 0.96 0.00 -0.72 0.00 0.00 41.12 40.33 3b6l n ASP 2119CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 3b6l h VAL 2120N 4.92 0.00 -2.44 5.18 -1.51 -1.91 -3.35 116.25 117.15 3b6l h VAL 2120Ca 0.43 -0.12 -0.53 0.00 -1.23 0.00 0.00 66.70 65.24 3b6l h VAL 2120Cb 0.81 1.02 -0.07 0.00 -2.13 0.00 0.00 31.29 30.92 3b6l h VAL 2120CO 1.49 0.00 1.12 0.00 -1.23 0.00 0.00 177.57 178.95 3b6l s GLN 2121N -3.89 3.12 0.00 5.19 -2.07 -1.26 -2.86 119.66 117.89 3b6l s GLN 2121Ca -0.03 0.11 0.00 0.00 -1.82 0.00 0.00 55.36 53.62 3b6l s GLN 2121Cb 0.11 -4.20 0.00 0.00 -1.09 0.00 0.00 33.01 27.83 3b6l s GLN 2121CO 0.40 -2.19 0.00 0.00 -1.32 0.00 0.00 175.29 172.18 3b6l n ALA 2122N 10.03 0.00 0.21 2.60 0.00 -1.26 -4.88 120.51 127.21 3b6l n ALA 2122Ca 0.09 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.59 3b6l n ALA 2122Cb 0.50 0.00 0.48 0.00 0.00 0.00 0.00 19.45 20.42 3b6l n ALA 2122CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 3b6l h TRP 2123N 0.00 0.00 -0.22 0.00 4.06 -1.79 -2.55 115.95 115.45 3b6l h TRP 2123Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3b6l h TRP 2123Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 3b6l h TRP 2123CO 0.00 0.27 0.00 0.44 -3.56 0.00 0.00 178.44 175.59 3b6l n ILE 2124N -3.96 0.55 -1.67 1.49 -5.35 -1.26 -4.76 119.36 104.38 3b6l n ILE 2124Ca -0.02 -0.77 -0.45 0.00 -0.27 0.00 0.00 62.75 61.24 3b6l n ILE 2124Cb 0.34 0.85 -0.03 0.00 -1.74 0.00 0.00 39.64 39.06 3b6l n ILE 2124CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 3b6l n ARG 2125N 0.69 2.10 0.00 6.28 0.63 -0.96 -2.21 116.66 123.19 3b6l n ARG 2125Ca 0.11 0.75 0.00 0.00 -0.92 0.00 0.00 57.85 57.79 3b6l n ARG 2125Cb 0.39 -2.44 0.00 0.00 0.45 0.00 0.00 32.46 30.86 3b6l n ARG 2125CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3b6l n GLY 2126N 2.43 2.98 3.73 5.14 0.00 -1.26 -4.99 105.19 113.22 3b6l n GLY 2126Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3b6l n GLY 2126CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b6l s ARG 2128N 0.22 3.22 0.00 0.00 3.52 -1.26 -5.12 118.95 119.52 3b6l s ARG 2128Ca 0.60 -0.33 0.10 0.00 -0.13 0.00 0.00 55.73 55.97 3b6l s ARG 2128Cb -0.38 -4.16 0.08 0.00 -1.56 0.00 0.00 34.95 28.92 3b6l s ARG 2128CO 0.37 -1.96 0.81 1.28 -0.81 0.00 0.00 175.30 174.98