#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w6o n SER 2002N 0.00 -2.30 -1.51 0.00 3.41 -1.26 -4.36 113.62 107.60 1w6o n SER 2002Ca 0.00 -0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 1w6o n SER 2002Cb 0.00 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 1w6o n SER 2002CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1w6o n GLY 2003N -0.84 1.08 3.77 5.00 0.00 0.05 -4.54 105.19 109.71 1w6o n GLY 2003Ca 0.02 -1.96 -0.40 0.00 0.00 0.00 0.00 46.02 43.68 1w6o n GLY 2003CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1w6o s LEU 2004N 0.00 4.28 -0.08 0.99 0.20 -1.26 -4.63 118.68 118.18 1w6o s LEU 2004Ca 0.00 2.92 0.03 0.00 0.69 0.00 0.00 54.13 57.76 1w6o s LEU 2004Cb 0.00 -3.76 0.01 0.00 -0.43 0.00 0.00 46.19 42.01 1w6o s LEU 2004CO 0.00 -0.89 -0.16 -0.69 -0.29 0.00 0.00 176.35 174.32 1w6o s VAL 2005N -1.16 1.49 -0.03 1.68 1.01 -1.26 -1.45 120.40 120.67 1w6o s VAL 2005Ca 0.55 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 61.90 1w6o s VAL 2005Cb -0.44 -1.33 -0.01 0.00 0.00 0.00 0.00 36.38 34.61 1w6o s VAL 2005CO 0.58 0.43 -0.18 0.00 0.00 0.00 0.00 175.10 175.94 1w6o s ALA 2006N 0.63 1.51 0.29 5.51 0.00 0.98 -5.00 121.76 125.68 1w6o s ALA 2006Ca -0.14 -0.73 0.04 0.00 0.00 0.00 0.00 51.96 51.13 1w6o s ALA 2006Cb -0.16 -0.45 -0.06 0.00 0.00 0.00 0.00 23.12 22.45 1w6o s ALA 2006CO 0.04 0.32 0.02 -1.54 0.00 0.00 0.00 175.76 174.60 1w6o s SER 2007N -0.17 2.27 -1.51 0.00 1.04 -1.26 -1.32 113.70 112.76 1w6o s SER 2007Ca 0.01 -1.30 -0.06 0.00 0.48 0.00 0.00 55.95 55.08 1w6o s SER 2007Cb -0.09 -0.07 0.01 0.00 0.10 0.00 0.00 66.02 65.97 1w6o s SER 2007CO 0.01 -0.53 0.70 0.59 0.98 0.00 0.00 173.24 174.99 1w6o n ASN 2008N -0.59 -5.99 -0.14 7.02 4.13 -0.32 -4.88 115.26 114.50 1w6o n ASN 2008Ca -0.04 -0.35 -0.03 0.00 1.68 0.00 0.00 54.58 55.85 1w6o n ASN 2008Cb 0.65 -4.82 0.18 0.00 -1.54 0.00 0.00 39.78 34.25 1w6o n ASN 2008CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1w6o h LEU 2009N -1.59 0.80 -0.90 3.41 5.85 -1.43 -3.47 115.31 117.98 1w6o h LEU 2009Ca -0.53 -0.14 -0.49 0.00 0.84 0.00 0.00 57.88 57.56 1w6o h LEU 2009Cb 1.36 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 42.11 1w6o h LEU 2009CO 0.57 0.78 -0.76 -3.20 -0.34 0.00 0.00 178.44 175.49 1w6o n ASN 2010N -4.27 -4.54 -4.68 1.25 5.15 -1.08 -4.92 115.26 102.15 1w6o n ASN 2010Ca 0.04 -0.80 -0.42 0.00 -0.60 0.00 0.00 54.58 52.80 1w6o n ASN 2010Cb 0.23 -3.64 -0.03 0.00 -0.53 0.00 0.00 39.78 35.81 1w6o n ASN 2010CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1w6o s LEU 2011N -7.25 4.26 0.27 1.20 2.96 -0.07 -4.86 118.68 115.18 1w6o s LEU 2011Ca 0.67 1.73 0.06 0.00 -0.22 0.00 0.00 54.13 56.37 1w6o s LEU 2011Cb -0.34 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.76 1w6o s LEU 2011CO 0.83 -0.57 0.33 -0.54 -1.32 0.00 0.00 176.35 175.08 1w6o s LYS 2012N 2.32 3.18 0.17 1.98 1.02 -1.26 -0.83 119.74 126.31 1w6o s LYS 2012Ca 0.54 -0.93 -0.34 0.00 0.02 0.00 0.00 55.97 55.26 1w6o s LYS 2012Cb -0.23 -2.75 -0.15 0.00 -0.52 0.00 0.00 37.83 34.18 1w6o s LYS 2012CO 0.20 0.32 1.39 -2.30 -0.92 0.00 0.00 175.35 174.04 1w6o n PRO 2013N -1.39 1.67 0.00 -1.68 -0.02 -1.26 -1.38 135.00 130.93 1w6o n PRO 2013Ca -0.06 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1w6o n PRO 2013Cb 0.58 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1w6o n PRO 2013CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1w6o n GLY 2014N 2.56 3.14 3.77 -1.23 0.00 -0.62 -4.98 105.19 107.84 1w6o n GLY 2014Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1w6o n GLY 2014CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1w6o s GLU 2015N -0.41 4.38 -0.26 1.61 2.02 -0.48 -4.91 118.70 120.64 1w6o s GLU 2015Ca 0.00 1.67 -0.11 0.00 0.02 0.00 0.00 54.97 56.55 1w6o s GLU 2015Cb 0.00 -2.85 -0.05 0.00 0.10 0.00 0.00 34.13 31.33 1w6o s GLU 2015CO 0.00 0.01 0.17 0.00 0.02 0.00 0.00 175.26 175.46 1w6o s LEU 2017N 1.45 4.28 -0.20 0.00 2.96 0.52 -0.76 118.68 126.93 1w6o s LEU 2017Ca 0.07 -0.27 -0.05 0.00 -0.22 0.00 0.00 54.13 53.66 1w6o s LEU 2017Cb -0.15 -2.12 -0.02 0.00 0.50 0.00 0.00 46.19 44.40 1w6o s LEU 2017CO 0.08 -0.16 -0.01 -0.13 -1.32 0.00 0.00 176.35 174.81 1w6o s ARG 2018N 1.73 3.59 -0.13 1.98 0.52 -0.48 -0.24 118.95 125.92 1w6o s ARG 2018Ca 0.06 -0.53 0.01 0.00 -0.52 0.00 0.00 55.73 54.75 1w6o s ARG 2018Cb -0.17 -3.05 0.02 0.00 0.52 0.00 0.00 34.95 32.27 1w6o s ARG 2018CO 0.10 0.01 -0.14 0.08 0.02 0.00 0.00 175.30 175.37 1w6o s VAL 2019N 0.99 1.53 -0.09 3.52 1.01 -0.23 -0.96 120.40 126.16 1w6o s VAL 2019Ca 0.01 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1w6o s VAL 2019Cb -0.14 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 1w6o s VAL 2019CO 0.01 0.45 -0.17 -0.60 0.00 0.00 0.00 175.10 174.79 1w6o s ARG 2020N 1.31 2.99 0.18 2.72 3.52 -0.45 -1.11 118.95 128.09 1w6o s ARG 2020Ca 0.01 -0.76 -0.15 0.00 -0.13 0.00 0.00 55.73 54.70 1w6o s ARG 2020Cb -0.14 -2.44 0.02 0.00 -1.56 0.00 0.00 34.95 30.84 1w6o s ARG 2020CO -0.07 0.33 0.44 0.20 -0.81 0.00 0.00 175.30 175.38 1w6o s GLY 2021N 0.02 0.05 -0.22 8.12 0.00 -0.18 0.33 107.32 115.43 1w6o s GLY 2021Ca -0.06 -0.40 -0.15 0.00 0.00 0.00 0.00 44.72 44.12 1w6o s GLY 2021CO 0.05 -0.44 0.35 -0.54 0.00 0.00 0.00 173.10 172.52 1w6o s GLU 2022N -3.89 4.12 -0.12 2.90 2.02 0.85 -0.69 118.70 123.87 1w6o s GLU 2022Ca 0.11 0.08 -0.29 0.00 0.02 0.00 0.00 54.97 54.89 1w6o s GLU 2022Cb 0.01 -3.57 -0.01 0.00 0.10 0.00 0.00 34.13 30.66 1w6o s GLU 2022CO -0.03 -0.08 0.97 0.08 0.02 0.00 0.00 175.26 176.22 1w6o s VAL 2023N 1.45 4.80 0.28 2.63 1.01 0.48 -1.20 120.40 129.85 1w6o s VAL 2023Ca 0.16 1.95 -0.29 0.00 0.00 0.00 0.00 61.98 63.80 1w6o s VAL 2023Cb -0.15 -4.27 -0.14 0.00 0.00 0.00 0.00 36.38 31.82 1w6o s VAL 2023CO 0.08 0.00 1.04 0.00 0.00 0.00 0.00 175.10 176.22 1w6o n ALA 2024N 5.09 -0.23 0.19 5.51 0.00 0.09 -0.48 120.51 130.68 1w6o n ALA 2024Ca 0.08 0.40 0.11 0.00 0.00 0.00 0.00 53.44 54.02 1w6o n ALA 2024Cb 0.49 -2.03 0.64 0.00 0.00 0.00 0.00 19.45 18.55 1w6o n ALA 2024CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1w6o h PRO 2025N 2.20 0.03 -0.39 0.00 0.13 -1.90 -1.63 132.00 130.43 1w6o h PRO 2025Ca -0.40 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1w6o h PRO 2025Cb 1.34 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1w6o h PRO 2025CO 0.62 0.02 0.00 -0.40 -0.23 0.00 0.00 178.00 178.01 1w6o n ASP 2026N -4.50 4.50 -4.73 1.44 5.75 -1.26 -4.29 116.55 113.46 1w6o n ASP 2026Ca 0.00 -2.90 -0.42 0.00 -0.01 0.00 0.00 54.79 51.47 1w6o n ASP 2026Cb 0.21 -0.58 -0.03 0.00 -1.03 0.00 0.00 41.12 39.69 1w6o n ASP 2026CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1w6o s ALA 2027N -2.65 3.68 -0.62 2.12 0.00 -0.69 -4.87 121.76 118.74 1w6o s ALA 2027Ca 0.46 1.32 0.23 0.00 0.00 0.00 0.00 51.96 53.96 1w6o s ALA 2027Cb 0.35 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.87 1w6o s ALA 2027CO 0.13 -0.74 0.96 1.63 0.00 0.00 0.00 175.76 177.74 1w6o n LYS 2028N 3.22 0.28 -3.66 0.00 4.76 -1.26 -4.84 118.16 116.66 1w6o n LYS 2028Ca 0.10 -0.02 0.04 0.00 -2.87 0.00 0.00 58.31 55.56 1w6o n LYS 2028Cb 0.40 -1.57 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 1w6o n LYS 2028CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1w6o s SER 2029N -3.83 -0.01 0.12 4.39 1.04 -1.26 -0.60 113.70 113.55 1w6o s SER 2029Ca 0.03 -0.04 -0.13 0.00 0.48 0.00 0.00 55.95 56.29 1w6o s SER 2029Cb 0.15 0.04 0.02 0.00 0.10 0.00 0.00 66.02 66.33 1w6o s SER 2029CO 0.82 -0.08 0.33 0.72 0.98 0.00 0.00 173.24 176.01 1w6o s PHE 2030N -2.09 -0.02 0.01 5.02 -0.12 -0.85 -4.71 117.98 115.22 1w6o s PHE 2030Ca 0.18 -0.34 0.02 0.00 -0.05 0.00 0.00 56.93 56.74 1w6o s PHE 2030Cb 0.06 0.14 -0.01 0.00 -0.63 0.00 0.00 43.02 42.58 1w6o s PHE 2030CO -0.05 -0.67 -0.06 0.08 -0.05 0.00 0.00 175.22 174.47 1w6o s VAL 2031N -3.84 0.42 -0.16 -2.49 1.01 -1.26 -2.83 120.40 111.24 1w6o s VAL 2031Ca 0.06 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 1w6o s VAL 2031Cb 0.03 -0.40 0.05 0.00 0.00 0.00 0.00 36.38 36.05 1w6o s VAL 2031CO -0.10 -0.04 -0.01 -0.22 0.00 0.00 0.00 175.10 174.73 1w6o s LEU 2032N -0.55 1.31 -0.10 3.92 0.20 -0.32 -1.97 118.68 121.18 1w6o s LEU 2032Ca -0.02 -0.64 -0.03 0.00 0.69 0.00 0.00 54.13 54.13 1w6o s LEU 2032Cb -0.04 -0.72 -0.03 0.00 -0.43 0.00 0.00 46.19 44.96 1w6o s LEU 2032CO -0.00 -0.23 0.03 0.20 -0.29 0.00 0.00 176.35 176.06 1w6o s ASN 2033N 1.77 5.51 0.01 3.68 0.01 0.14 -1.24 114.94 124.82 1w6o s ASN 2033Ca 0.01 0.22 0.04 0.00 -0.71 0.00 0.00 52.86 52.41 1w6o s ASN 2033Cb -0.16 -1.62 -0.01 0.00 0.41 0.00 0.00 41.25 39.87 1w6o s ASN 2033CO -0.07 0.38 -0.11 -0.76 -1.51 0.00 0.00 177.10 175.03 1w6o s LEU 2034N -0.89 2.08 0.00 0.60 1.43 0.43 -1.03 118.68 121.29 1w6o s LEU 2034Ca 0.13 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1w6o s LEU 2034Cb -0.12 -0.53 0.00 0.00 0.03 0.00 0.00 46.19 45.58 1w6o s LEU 2034CO 0.03 0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.30 1w6o n GLY 2035N 2.48 -0.61 0.14 -3.19 0.00 -0.13 -0.52 105.19 103.35 1w6o n GLY 2035Ca -0.15 -0.61 -0.22 0.00 0.00 0.00 0.00 46.02 45.04 1w6o n GLY 2035CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1w6o n LYS 2036N 0.00 0.75 -3.58 1.61 4.81 0.02 -0.24 118.16 121.53 1w6o n LYS 2036Ca 0.00 0.28 -0.04 0.00 -0.87 0.00 0.00 58.31 57.68 1w6o n LYS 2036Cb 0.00 -1.71 0.02 0.00 0.02 0.00 0.00 35.03 33.36 1w6o n LYS 2036CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1w6o n ASP 2037N -3.53 -1.71 0.29 3.14 5.68 -1.17 -4.30 116.55 114.96 1w6o n ASP 2037Ca -0.32 -1.99 0.18 0.00 -0.50 0.00 0.00 54.79 52.17 1w6o n ASP 2037Cb 1.03 2.79 0.95 0.00 -1.14 0.00 0.00 41.12 44.75 1w6o n ASP 2037CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1w6o h SER 2038N 1.77 0.00 -0.02 -1.12 4.64 -1.98 -1.63 113.55 115.22 1w6o h SER 2038Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1w6o h SER 2038Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1w6o h SER 2038CO 0.34 0.00 -0.12 0.59 -0.87 0.00 0.00 176.83 176.77 1w6o n ASN 2039N -3.25 2.33 -3.56 4.97 3.02 -1.26 -4.76 115.26 112.75 1w6o n ASN 2039Ca -0.01 -1.66 -0.29 0.00 -0.03 0.00 0.00 54.58 52.59 1w6o n ASN 2039Cb 0.28 0.15 -0.13 0.00 -0.61 0.00 0.00 39.78 39.47 1w6o n ASN 2039CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1w6o s ASN 2040N -1.75 3.32 -0.19 6.41 0.01 -0.61 -0.63 114.94 121.50 1w6o s ASN 2040Ca 0.20 -2.08 -0.05 0.00 -0.71 0.00 0.00 52.86 50.22 1w6o s ASN 2040Cb 0.15 -0.58 -0.02 0.00 0.41 0.00 0.00 41.25 41.22 1w6o s ASN 2040CO 0.31 -0.33 -0.02 -0.76 -1.51 0.00 0.00 177.10 174.79 1w6o s LEU 2041N 1.14 3.19 0.40 0.60 1.43 0.62 -0.80 118.68 125.26 1w6o s LEU 2041Ca 0.16 -0.22 0.22 0.00 -1.03 0.00 0.00 54.13 53.26 1w6o s LEU 2041Cb -0.22 -1.80 0.28 0.00 0.03 0.00 0.00 46.19 44.49 1w6o s LEU 2041CO -0.08 0.07 1.54 0.00 0.23 0.00 0.00 176.35 178.12 1w6o s LEU 2043N -6.17 -0.65 -0.46 0.00 2.96 -0.72 -4.68 118.68 108.96 1w6o s LEU 2043Ca 0.06 0.77 -0.08 0.00 -0.22 0.00 0.00 54.13 54.66 1w6o s LEU 2043Cb 0.06 1.29 0.12 0.00 0.50 0.00 0.00 46.19 48.16 1w6o s LEU 2043CO 0.69 -0.25 0.31 -2.28 -1.32 0.00 0.00 176.35 173.50 1w6o s HIS 2044N 2.60 3.47 -0.40 5.38 5.65 0.55 -0.43 115.29 132.11 1w6o s HIS 2044Ca 0.03 -2.02 -0.19 0.00 0.25 0.00 0.00 55.06 53.13 1w6o s HIS 2044Cb -0.13 -3.43 0.01 0.00 -1.18 0.00 0.00 32.58 27.85 1w6o s HIS 2044CO -0.14 -0.99 0.55 0.12 -0.65 0.00 0.00 174.74 173.63 1w6o s PHE 2045N 1.30 3.13 -0.54 3.88 5.36 -0.37 -2.02 117.98 128.71 1w6o s PHE 2045Ca 0.06 -0.06 0.04 0.00 -0.96 0.00 0.00 56.93 56.02 1w6o s PHE 2045Cb -0.25 -3.09 0.16 0.00 -0.34 0.00 0.00 43.02 39.50 1w6o s PHE 2045CO -0.02 -0.71 0.39 1.21 -1.46 0.00 0.00 175.22 174.63 1w6o s ASN 2046N 1.87 3.27 -0.03 6.13 3.04 0.13 -1.17 114.94 128.19 1w6o s ASN 2046Ca 0.19 -3.33 -0.30 0.00 0.04 0.00 0.00 52.86 49.45 1w6o s ASN 2046Cb -0.15 -1.05 -0.05 0.00 -1.54 0.00 0.00 41.25 38.46 1w6o s ASN 2046CO 0.16 -0.15 1.39 -2.84 -3.04 0.00 0.00 177.10 172.61 1w6o s PRO 2047N -0.54 4.28 -0.25 0.43 0.02 -1.13 -1.40 135.00 136.40 1w6o s PRO 2047Ca 0.27 1.92 -0.05 0.00 0.02 0.00 0.00 61.00 63.16 1w6o s PRO 2047Cb -0.05 -3.62 -0.00 0.00 0.02 0.00 0.00 34.50 30.85 1w6o s PRO 2047CO -0.15 -0.60 -0.00 1.03 -0.33 0.00 0.00 177.00 176.95 1w6o s ARG 2048N 2.62 3.26 -0.11 5.54 0.52 0.35 -2.01 118.95 129.12 1w6o s ARG 2048Ca 0.63 -0.71 -0.18 0.00 -0.52 0.00 0.00 55.73 54.94 1w6o s ARG 2048Cb -0.30 -3.13 -0.16 0.00 0.52 0.00 0.00 34.95 31.88 1w6o s ARG 2048CO 0.25 -0.29 0.54 0.74 0.02 0.00 0.00 175.30 176.56 1w6o h PHE 2049N 8.14 -0.03 -1.30 -0.53 -1.00 -1.14 0.13 116.94 121.21 1w6o h PHE 2049Ca -0.37 -0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.21 1w6o h PHE 2049Cb 1.15 0.01 -0.22 0.00 3.61 0.00 0.00 35.95 40.50 1w6o h PHE 2049CO 0.60 0.55 -0.55 1.21 -1.61 0.00 0.00 178.31 178.51 1w6o s ASN 2050N -5.88 -0.74 -0.06 2.17 3.04 -0.36 -0.80 114.94 112.31 1w6o s ASN 2050Ca -0.12 -1.45 -0.21 0.00 0.04 0.00 0.00 52.86 51.12 1w6o s ASN 2050Cb -0.01 1.47 0.04 0.00 -1.54 0.00 0.00 41.25 41.21 1w6o s ASN 2050CO 0.43 -0.15 0.47 0.00 -3.04 0.00 0.00 177.10 174.82 1w6o s ALA 2051N 1.28 -1.20 -1.22 1.71 0.00 -0.64 -4.77 121.76 116.92 1w6o s ALA 2051Ca 0.22 0.89 -0.00 0.00 0.00 0.00 0.00 51.96 53.07 1w6o s ALA 2051Cb -0.04 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.93 1w6o s ALA 2051CO -0.06 -0.29 0.03 0.72 0.00 0.00 0.00 175.76 176.16 1w6o n HIS 2052N 1.50 -1.36 -0.72 0.00 8.25 -1.26 -0.82 115.22 120.82 1w6o n HIS 2052Ca -0.19 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 1w6o n HIS 2052Cb 0.56 -3.05 0.00 0.00 1.12 0.00 0.00 29.99 28.62 1w6o n HIS 2052CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1w6o n GLY 2053N -0.88 1.00 3.78 -1.41 0.00 -1.26 -5.04 105.19 101.38 1w6o n GLY 2053Ca -0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 1w6o n GLY 2053CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1w6o s ASP 2054N -3.04 5.44 -0.05 1.61 1.01 0.00 -5.12 116.67 116.52 1w6o s ASP 2054Ca 0.00 -0.13 0.02 0.00 0.71 0.00 0.00 52.55 53.15 1w6o s ASP 2054Cb 0.00 -1.41 0.01 0.00 1.01 0.00 0.00 42.92 42.54 1w6o s ASP 2054CO 0.00 0.09 -0.11 0.00 0.21 0.00 0.00 175.17 175.36 1w6o s ALA 2055N -1.67 1.11 -1.05 5.23 0.00 -1.26 -1.62 121.76 122.49 1w6o s ALA 2055Ca 0.30 -0.36 -0.31 0.00 0.00 0.00 0.00 51.96 51.59 1w6o s ALA 2055Cb -0.10 -0.48 0.04 0.00 0.00 0.00 0.00 23.12 22.57 1w6o s ALA 2055CO 0.23 0.12 0.58 0.09 0.00 0.00 0.00 175.76 176.78 1w6o n ASN 2056N 3.67 -3.51 -3.85 0.00 3.02 0.31 -4.95 115.26 109.96 1w6o n ASN 2056Ca -0.22 -1.13 -0.15 0.00 -0.03 0.00 0.00 54.58 53.04 1w6o n ASN 2056Cb 0.52 -1.36 -0.15 0.00 -0.61 0.00 0.00 39.78 38.18 1w6o n ASN 2056CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1w6o s THR 2057N -3.74 0.15 -0.22 3.41 2.01 -0.38 -4.76 115.64 112.12 1w6o s THR 2057Ca 0.43 0.03 -0.21 0.00 0.31 0.00 0.00 61.69 62.25 1w6o s THR 2057Cb -0.24 -0.21 -0.02 0.00 0.01 0.00 0.00 72.50 72.04 1w6o s THR 2057CO 0.84 0.10 0.64 -0.63 -0.69 0.00 0.00 174.62 174.88 1w6o s ILE 2058N 0.60 5.00 -0.16 1.82 1.01 -1.26 -0.50 121.20 127.70 1w6o s ILE 2058Ca -0.06 1.18 -0.03 0.00 0.00 0.00 0.00 60.65 61.74 1w6o s ILE 2058Cb -0.09 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 1w6o s ILE 2058CO -0.01 0.07 -0.05 -0.69 0.00 0.00 0.00 174.94 174.26 1w6o s VAL 2059N 2.19 3.67 0.08 2.92 1.01 -0.50 -1.54 120.40 128.24 1w6o s VAL 2059Ca 0.28 -0.43 0.10 0.00 0.00 0.00 0.00 61.98 61.93 1w6o s VAL 2059Cb -0.16 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 1w6o s VAL 2059CO 0.09 0.48 -0.26 0.00 0.00 0.00 0.00 175.10 175.41 1w6o s ASN 2061N -1.62 -0.25 0.27 0.00 3.84 -0.86 -1.05 114.94 115.27 1w6o s ASN 2061Ca 0.12 -0.61 0.11 0.00 0.21 0.00 0.00 52.86 52.70 1w6o s ASN 2061Cb -0.10 0.68 -0.05 0.00 -0.55 0.00 0.00 41.25 41.23 1w6o s ASN 2061CO 0.04 -1.25 -0.14 -0.94 -2.79 0.00 0.00 177.10 172.02 1w6o s SER 2062N -2.92 3.90 -0.12 -4.21 1.04 -1.26 -0.33 113.70 109.80 1w6o s SER 2062Ca 0.12 -0.89 -0.02 0.00 0.48 0.00 0.00 55.95 55.64 1w6o s SER 2062Cb -0.04 -0.48 0.04 0.00 0.10 0.00 0.00 66.02 65.64 1w6o s SER 2062CO 0.05 0.03 -0.00 -0.75 0.98 0.00 0.00 173.24 173.55 1w6o s LYS 2063N -3.51 0.79 -0.23 4.02 2.20 -0.27 -1.10 119.74 121.64 1w6o s LYS 2063Ca 0.30 -0.13 -0.00 0.00 -0.36 0.00 0.00 55.97 55.77 1w6o s LYS 2063Cb -0.06 -1.46 0.03 0.00 -1.51 0.00 0.00 37.83 34.83 1w6o s LYS 2063CO 0.16 -0.41 -0.11 0.34 -0.36 0.00 0.00 175.35 174.98 1w6o s ASP 2064N 1.88 3.98 -1.66 1.43 3.68 0.35 -0.28 116.67 126.06 1w6o s ASP 2064Ca 0.03 -0.83 -0.17 0.00 2.13 0.00 0.00 52.55 53.71 1w6o s ASP 2064Cb -0.14 -1.60 0.14 0.00 -1.45 0.00 0.00 42.92 39.87 1w6o s ASP 2064CO -0.07 -0.09 0.82 -0.67 0.13 0.00 0.00 175.17 175.29 1w6o n ASP 2065N 4.64 -3.52 0.00 -0.34 2.03 -1.12 -0.61 116.55 117.63 1w6o n ASP 2065Ca -0.18 -0.97 0.00 0.00 0.52 0.00 0.00 54.79 54.17 1w6o n ASP 2065Cb 0.48 -2.99 0.00 0.00 -0.72 0.00 0.00 41.12 37.88 1w6o n ASP 2065CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1w6o n GLY 2066N -1.47 3.18 3.70 0.27 0.00 0.20 -5.04 105.19 106.02 1w6o n GLY 2066Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1w6o n GLY 2066CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w6o s ALA 2067N -2.27 3.37 0.21 4.61 0.00 0.22 -5.01 121.76 122.89 1w6o s ALA 2067Ca 0.00 0.16 -0.30 0.00 0.00 0.00 0.00 51.96 51.82 1w6o s ALA 2067Cb 0.00 -3.10 -0.08 0.00 0.00 0.00 0.00 23.12 19.94 1w6o s ALA 2067CO 0.00 -0.30 1.05 -1.58 0.00 0.00 0.00 175.76 174.93 1w6o s TRP 2068N 1.27 3.69 0.00 0.00 0.52 -1.26 -0.49 118.94 122.66 1w6o s TRP 2068Ca 0.40 1.71 0.00 0.00 0.02 0.00 0.00 56.10 58.23 1w6o s TRP 2068Cb -0.18 -3.19 0.00 0.00 -1.15 0.00 0.00 33.47 28.95 1w6o s TRP 2068CO 0.18 -0.29 0.00 0.41 0.02 0.00 0.00 176.95 177.27 1w6o n GLY 2069N 1.71 0.65 3.66 0.98 0.00 -0.26 -4.96 105.19 106.97 1w6o n GLY 2069Ca 0.01 -1.78 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 1w6o n GLY 2069CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1w6o s THR 2070N 1.00 4.93 0.71 2.61 2.01 -1.26 -4.83 115.64 120.80 1w6o s THR 2070Ca 0.00 1.42 -0.15 0.00 0.31 0.00 0.00 61.69 63.27 1w6o s THR 2070Cb 0.00 -4.05 0.03 0.00 0.01 0.00 0.00 72.50 68.49 1w6o s THR 2070CO 0.00 0.03 1.17 -1.61 -0.69 0.00 0.00 174.62 173.52 1w6o s GLU 2071N 2.25 2.36 -0.04 4.92 2.02 -1.26 -4.76 118.70 124.19 1w6o s GLU 2071Ca 0.33 1.61 0.02 0.00 0.02 0.00 0.00 54.97 56.95 1w6o s GLU 2071Cb -0.16 -1.88 0.01 0.00 0.10 0.00 0.00 34.13 32.21 1w6o s GLU 2071CO 0.10 -1.63 -0.08 -0.65 0.02 0.00 0.00 175.26 173.02 1w6o s GLN 2072N -4.00 1.08 -0.07 1.61 -0.21 -0.22 -4.98 119.66 112.87 1w6o s GLN 2072Ca 0.71 -0.25 -0.01 0.00 0.02 0.00 0.00 55.36 55.83 1w6o s GLN 2072Cb -0.26 -0.99 -0.03 0.00 1.00 0.00 0.00 33.01 32.74 1w6o s GLN 2072CO 0.44 0.01 0.01 1.03 -2.12 0.00 0.00 175.29 174.67 1w6o s ARG 2073N 0.59 2.98 0.49 2.91 0.52 -1.26 -0.85 118.95 124.32 1w6o s ARG 2073Ca -0.10 -0.43 -0.04 0.00 -0.52 0.00 0.00 55.73 54.64 1w6o s ARG 2073Cb -0.13 -2.80 -0.02 0.00 0.52 0.00 0.00 34.95 32.52 1w6o s ARG 2073CO 0.01 0.69 0.78 -1.21 0.02 0.00 0.00 175.30 175.59 1w6o s GLU 2074N -1.05 3.38 0.11 3.54 0.41 -0.59 -5.01 118.70 119.49 1w6o s GLU 2074Ca 0.15 0.06 0.27 0.00 -0.41 0.00 0.00 54.97 55.04 1w6o s GLU 2074Cb -0.11 -2.39 0.86 0.00 -1.78 0.00 0.00 34.13 30.70 1w6o s GLU 2074CO 0.04 -0.28 1.73 0.00 -0.49 0.00 0.00 175.26 176.27 1w6o n ALA 2075N -2.27 2.50 -2.43 5.21 0.00 -1.26 -4.59 120.51 117.67 1w6o n ALA 2075Ca 0.01 -0.11 -0.21 0.00 0.00 0.00 0.00 53.44 53.13 1w6o n ALA 2075Cb 0.56 -1.40 -0.10 0.00 0.00 0.00 0.00 19.45 18.51 1w6o n ALA 2075CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1w6o s VAL 2076N -3.07 1.02 -0.45 0.00 -7.23 -1.26 -5.11 120.40 104.30 1w6o s VAL 2076Ca 0.11 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.35 1w6o s VAL 2076Cb 0.15 -2.73 0.23 0.00 0.56 0.00 0.00 36.38 34.59 1w6o s VAL 2076CO 0.60 0.00 0.68 0.33 -0.31 0.00 0.00 175.10 176.40 1w6o n PHE 2077N -0.66 -2.11 -1.45 2.82 -0.00 -1.26 -4.43 117.46 110.38 1w6o n PHE 2077Ca -0.02 -2.51 -0.31 0.00 -0.00 0.00 0.00 57.45 54.62 1w6o n PHE 2077Cb 0.66 0.74 -0.06 0.00 -0.00 0.00 0.00 39.48 40.82 1w6o n PHE 2077CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1w6o n PRO 2078N 1.85 3.29 -4.08 -7.13 -0.04 -1.26 -4.88 135.00 122.76 1w6o n PRO 2078Ca 0.17 -2.27 -0.12 0.00 -0.04 0.00 0.00 63.50 61.24 1w6o n PRO 2078Cb 0.57 -2.44 -0.11 0.00 -0.04 0.00 0.00 33.50 31.48 1w6o n PRO 2078CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1w6o s PHE 2079N 0.31 0.66 -0.11 0.54 0.40 -1.26 -4.66 117.98 113.85 1w6o s PHE 2079Ca 0.63 -0.64 -0.09 0.00 -0.60 0.00 0.00 56.93 56.23 1w6o s PHE 2079Cb 0.25 -0.40 0.03 0.00 0.51 0.00 0.00 43.02 43.41 1w6o s PHE 2079CO -0.09 -0.13 0.30 1.14 0.70 0.00 0.00 175.22 177.14 1w6o s GLN 2080N -2.24 0.33 0.66 0.44 -2.07 -1.26 -5.11 119.66 110.41 1w6o s GLN 2080Ca -0.05 0.46 -0.18 0.00 -1.82 0.00 0.00 55.36 53.78 1w6o s GLN 2080Cb -0.05 0.11 -0.00 0.00 -1.09 0.00 0.00 33.01 31.98 1w6o s GLN 2080CO -0.02 -0.07 1.27 -2.14 -1.32 0.00 0.00 175.29 173.01 1w6o s PRO 2081N 0.41 2.51 -1.11 9.60 0.02 -1.26 -3.39 135.00 141.78 1w6o s PRO 2081Ca -0.02 1.98 -0.06 0.00 0.02 0.00 0.00 61.00 62.93 1w6o s PRO 2081Cb -0.04 -1.85 0.01 0.00 0.02 0.00 0.00 34.50 32.64 1w6o s PRO 2081CO -0.02 -1.61 0.96 0.41 -0.33 0.00 0.00 177.00 176.41 1w6o n GLY 2082N 0.77 -0.29 3.36 0.52 0.00 0.37 -4.81 105.19 105.10 1w6o n GLY 2082Ca 0.15 0.08 -0.10 0.00 0.00 0.00 0.00 46.02 46.16 1w6o n GLY 2082CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1w6o s SER 2083N -3.50 -0.08 -0.02 1.61 1.04 -1.16 -4.89 113.70 106.71 1w6o s SER 2083Ca 0.36 -0.62 -0.22 0.00 0.48 0.00 0.00 55.95 55.96 1w6o s SER 2083Cb -0.16 0.46 -0.05 0.00 0.10 0.00 0.00 66.02 66.37 1w6o s SER 2083CO 0.61 -0.90 0.64 -0.69 0.98 0.00 0.00 173.24 173.89 1w6o s VAL 2084N -3.89 4.92 -0.01 5.02 1.01 -1.26 -0.39 120.40 125.80 1w6o s VAL 2084Ca 0.10 1.34 0.02 0.00 0.00 0.00 0.00 61.98 63.44 1w6o s VAL 2084Cb 0.02 -3.98 -0.00 0.00 0.00 0.00 0.00 36.38 32.42 1w6o s VAL 2084CO -0.05 0.37 -0.07 0.00 0.00 0.00 0.00 175.10 175.34 1w6o s ALA 2085N 0.09 0.62 -0.03 5.51 0.00 0.13 -4.96 121.76 123.11 1w6o s ALA 2085Ca 0.33 -0.30 0.06 0.00 0.00 0.00 0.00 51.96 52.05 1w6o s ALA 2085Cb -0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 1w6o s ALA 2085CO 0.18 0.14 -0.21 -2.00 0.00 0.00 0.00 175.76 173.87 1w6o s GLU 2086N -0.10 1.80 0.06 0.00 2.12 -1.26 -1.01 118.70 120.31 1w6o s GLU 2086Ca 0.02 -0.74 0.06 0.00 0.36 0.00 0.00 54.97 54.67 1w6o s GLU 2086Cb -0.04 -1.68 -0.03 0.00 0.26 0.00 0.00 34.13 32.65 1w6o s GLU 2086CO -0.00 0.40 -0.17 0.14 -0.54 0.00 0.00 175.26 175.10 1w6o s VAL 2087N -0.36 1.33 -0.13 3.70 -7.23 -0.27 -3.06 120.40 114.38 1w6o s VAL 2087Ca 0.05 -1.23 0.02 0.00 -1.81 0.00 0.00 61.98 59.01 1w6o s VAL 2087Cb -0.09 -1.21 0.01 0.00 0.56 0.00 0.00 36.38 35.65 1w6o s VAL 2087CO 0.00 -0.04 -0.19 0.00 -0.31 0.00 0.00 175.10 174.57 1w6o s ILE 2089N 0.95 1.91 0.14 0.00 1.09 0.67 -0.17 121.20 125.79 1w6o s ILE 2089Ca -0.06 -1.03 -0.04 0.00 -1.10 0.00 0.00 60.65 58.42 1w6o s ILE 2089Cb -0.15 -1.59 -0.03 0.00 -1.06 0.00 0.00 42.46 39.64 1w6o s ILE 2089CO -0.03 0.54 0.14 0.28 -0.10 0.00 0.00 174.94 175.77 1w6o s THR 2090N -0.55 0.09 0.18 2.92 -1.32 -0.61 -0.36 115.64 115.99 1w6o s THR 2090Ca 0.09 -1.71 -0.20 0.00 -1.21 0.00 0.00 61.69 58.66 1w6o s THR 2090Cb -0.09 -1.95 0.04 0.00 -1.51 0.00 0.00 72.50 68.99 1w6o s THR 2090CO -0.01 -0.42 0.56 0.72 -2.21 0.00 0.00 174.62 173.27 1w6o s PHE 2091N -4.01 -0.31 0.31 9.09 -0.71 -1.26 -0.04 117.98 121.04 1w6o s PHE 2091Ca 0.21 0.01 0.06 0.00 -1.04 0.00 0.00 56.93 56.17 1w6o s PHE 2091Cb 0.06 0.48 -0.02 0.00 -1.21 0.00 0.00 43.02 42.32 1w6o s PHE 2091CO 0.01 -0.90 0.23 -0.40 -1.34 0.00 0.00 175.22 172.82 1w6o n ASP 2092N -0.35 -0.27 0.19 1.98 5.68 -0.53 -1.59 116.55 121.65 1w6o n ASP 2092Ca -0.13 -2.97 0.12 0.00 -0.50 0.00 0.00 54.79 51.31 1w6o n ASP 2092Cb 0.63 1.39 0.67 0.00 -1.14 0.00 0.00 41.12 42.67 1w6o n ASP 2092CO 0.00 0.00 0.00 0.06 -1.33 0.00 0.00 177.20 175.93 1w6o h GLN 2093N 0.00 0.00 0.06 0.11 -0.00 -1.96 -3.25 115.11 110.07 1w6o h GLN 2093Ca -0.23 0.00 -0.31 0.00 -0.00 0.00 0.00 58.65 58.12 1w6o h GLN 2093Cb 1.08 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.53 1w6o h GLN 2093CO 0.34 0.00 -1.68 0.00 -0.00 0.00 0.00 178.83 177.48 1w6o n ALA 2094N -2.56 0.85 -2.35 0.06 0.00 -1.26 -4.61 120.51 110.65 1w6o n ALA 2094Ca 0.00 -0.56 -0.08 0.00 0.00 0.00 0.00 53.44 52.81 1w6o n ALA 2094Cb 0.23 -0.60 -0.09 0.00 0.00 0.00 0.00 19.45 18.98 1w6o n ALA 2094CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1w6o s ASN 2095N -6.97 0.35 0.01 0.00 0.01 -1.23 -0.21 114.94 106.90 1w6o s ASN 2095Ca -0.26 -0.82 -0.01 0.00 -0.71 0.00 0.00 52.86 51.06 1w6o s ASN 2095Cb 0.07 0.23 -0.04 0.00 0.41 0.00 0.00 41.25 41.91 1w6o s ASN 2095CO 0.68 -0.59 0.13 -0.76 -1.51 0.00 0.00 177.10 175.04 1w6o s LEU 2096N -2.68 4.09 -0.14 0.60 1.02 0.16 -1.46 118.68 120.26 1w6o s LEU 2096Ca 0.03 0.21 0.02 0.00 0.02 0.00 0.00 54.13 54.41 1w6o s LEU 2096Cb 0.05 -2.46 0.01 0.00 0.02 0.00 0.00 46.19 43.81 1w6o s LEU 2096CO -0.09 0.25 -0.21 -0.89 0.02 0.00 0.00 176.35 175.44 1w6o s THR 2097N -1.28 2.19 -0.17 5.49 2.01 0.94 -0.86 115.64 123.96 1w6o s THR 2097Ca 0.26 -0.93 -0.01 0.00 0.31 0.00 0.00 61.69 61.32 1w6o s THR 2097Cb -0.12 -1.89 -0.00 0.00 0.01 0.00 0.00 72.50 70.50 1w6o s THR 2097CO 0.17 0.54 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.83 1w6o s VAL 2098N 0.81 2.79 -0.16 3.82 1.01 0.39 -1.57 120.40 127.49 1w6o s VAL 2098Ca -0.07 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.15 1w6o s VAL 2098Cb -0.15 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 1w6o s VAL 2098CO -0.01 0.50 0.00 -0.75 0.00 0.00 0.00 175.10 174.83 1w6o s LYS 2099N 1.03 3.75 0.60 2.72 2.20 0.76 -1.07 119.74 129.72 1w6o s LYS 2099Ca -0.01 -0.45 0.03 0.00 -0.36 0.00 0.00 55.97 55.18 1w6o s LYS 2099Cb -0.15 -3.01 0.07 0.00 -1.51 0.00 0.00 37.83 33.23 1w6o s LYS 2099CO -0.03 0.28 0.83 -0.51 -0.36 0.00 0.00 175.35 175.56 1w6o s LEU 2100N 0.29 3.19 0.50 5.43 1.43 0.16 -1.25 118.68 128.42 1w6o s LEU 2100Ca -0.01 -0.34 0.22 0.00 -1.03 0.00 0.00 54.13 52.97 1w6o s LEU 2100Cb -0.13 -2.31 1.28 0.00 0.03 0.00 0.00 46.19 45.06 1w6o s LEU 2100CO 0.02 -1.38 1.98 -0.65 0.23 0.00 0.00 176.35 176.55 1w6o h PRO 2101N -0.05 0.13 -0.15 1.29 0.11 -1.81 -0.59 132.00 130.93 1w6o h PRO 2101Ca -0.38 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1w6o h PRO 2101Cb 1.28 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1w6o h PRO 2101CO 0.45 0.08 0.00 -0.40 -0.21 0.00 0.00 178.00 177.92 1w6o n ASP 2102N -4.41 0.94 0.00 -2.05 5.75 -1.26 -4.87 116.55 110.64 1w6o n ASP 2102Ca 0.10 -1.87 0.00 0.00 -0.01 0.00 0.00 54.79 53.02 1w6o n ASP 2102Cb 0.55 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 1w6o n ASP 2102CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1w6o n GLY 2103N 0.84 2.03 3.75 6.12 0.00 -0.23 -5.01 105.19 112.69 1w6o n GLY 2103Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1w6o n GLY 2103CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1w6o s TYR 2104N -3.19 3.55 0.01 1.61 5.04 -1.26 -4.73 117.35 118.39 1w6o s TYR 2104Ca 0.00 1.60 0.03 0.00 -2.44 0.00 0.00 57.07 56.27 1w6o s TYR 2104Cb 0.00 -3.31 -0.01 0.00 0.35 0.00 0.00 41.96 38.99 1w6o s TYR 2104CO 0.00 -0.71 -0.11 -1.83 -1.34 0.00 0.00 175.55 171.57 1w6o s GLU 2105N -0.75 0.81 0.21 4.97 -1.05 -1.26 0.38 118.70 122.02 1w6o s GLU 2105Ca 0.48 -0.50 0.01 0.00 -0.15 0.00 0.00 54.97 54.81 1w6o s GLU 2105Cb -0.31 -0.78 -0.05 0.00 -0.44 0.00 0.00 34.13 32.55 1w6o s GLU 2105CO 0.38 0.20 0.07 -0.59 0.95 0.00 0.00 175.26 176.27 1w6o s PHE 2106N -0.50 1.33 0.10 4.83 -0.71 -0.24 -4.96 117.98 117.83 1w6o s PHE 2106Ca 0.02 -1.17 0.08 0.00 -1.04 0.00 0.00 56.93 54.82 1w6o s PHE 2106Cb -0.05 -0.75 -0.04 0.00 -1.21 0.00 0.00 43.02 40.97 1w6o s PHE 2106CO 0.00 -0.37 -0.15 0.15 -1.34 0.00 0.00 175.22 173.51 1w6o s LYS 2107N -4.02 1.95 -0.05 1.99 1.02 -1.26 -0.46 119.74 118.90 1w6o s LYS 2107Ca 0.33 -1.09 0.02 0.00 0.02 0.00 0.00 55.97 55.25 1w6o s LYS 2107Cb 0.07 -2.19 0.01 0.00 -0.52 0.00 0.00 37.83 35.20 1w6o s LYS 2107CO 0.10 0.50 -0.10 0.12 -0.92 0.00 0.00 175.35 175.05 1w6o s PHE 2108N -1.13 1.18 0.41 3.18 5.36 -0.04 -4.95 117.98 121.99 1w6o s PHE 2108Ca 0.18 -0.39 -0.26 0.00 -0.96 0.00 0.00 56.93 55.51 1w6o s PHE 2108Cb -0.11 -0.89 -0.10 0.00 -0.34 0.00 0.00 43.02 41.59 1w6o s PHE 2108CO 0.10 -0.22 1.36 -2.30 -1.46 0.00 0.00 175.22 172.71 1w6o n PRO 2109N 3.76 2.17 -2.91 10.12 -0.02 -1.26 0.35 135.00 147.21 1w6o n PRO 2109Ca -0.23 0.77 -0.44 0.00 -2.02 0.00 0.00 63.50 61.58 1w6o n PRO 2109Cb 0.52 -2.50 -0.01 0.00 -0.02 0.00 0.00 33.50 31.49 1w6o n PRO 2109CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1w6o s ASN 2110N -0.42 6.95 0.11 2.55 3.84 0.71 -4.70 114.94 123.97 1w6o s ASN 2110Ca 0.59 -2.72 0.22 0.00 0.21 0.00 0.00 52.86 51.17 1w6o s ASN 2110Cb -0.49 -2.42 0.90 0.00 -0.55 0.00 0.00 41.25 38.69 1w6o s ASN 2110CO 0.59 -0.86 1.70 0.54 -2.79 0.00 0.00 177.10 176.28 1w6o n ARG 2111N 6.12 0.10 0.00 0.43 1.74 -1.26 -2.42 116.66 121.36 1w6o n ARG 2111Ca 0.35 0.23 0.12 0.00 -0.77 0.00 0.00 57.85 57.78 1w6o n ARG 2111Cb 0.45 -1.66 0.08 0.00 -1.02 0.00 0.00 32.46 30.31 1w6o n ARG 2111CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1w6o n LEU 2112N -1.84 2.80 -3.20 0.55 4.32 -1.26 -4.95 117.00 113.41 1w6o n LEU 2112Ca 0.04 -0.95 -0.23 0.00 -0.02 0.00 0.00 56.01 54.85 1w6o n LEU 2112Cb 0.27 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 42.09 1w6o n LEU 2112CO 0.21 0.47 -0.02 0.59 -1.22 0.00 0.00 177.39 177.43 1w6o n ASN 2113N 1.08 -4.88 -4.76 -1.43 4.13 -1.02 -4.89 115.26 103.49 1w6o n ASN 2113Ca 0.13 -0.34 -0.41 0.00 1.68 0.00 0.00 54.58 55.64 1w6o n ASN 2113Cb 0.57 -3.98 -0.02 0.00 -1.54 0.00 0.00 39.78 34.81 1w6o n ASN 2113CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1w6o s LEU 2114N -6.59 4.38 0.00 3.41 1.02 -1.26 -4.89 118.68 114.75 1w6o s LEU 2114Ca 0.36 2.78 0.14 0.00 0.02 0.00 0.00 54.13 57.42 1w6o s LEU 2114Cb -0.17 -3.64 0.23 0.00 0.02 0.00 0.00 46.19 42.63 1w6o s LEU 2114CO 0.44 -0.73 1.11 -0.62 0.02 0.00 0.00 176.35 176.57 1w6o n GLU 2115N 1.72 1.77 -3.61 1.70 1.02 -1.26 -4.65 120.64 117.33 1w6o n GLU 2115Ca 0.05 -1.72 -0.10 0.00 -0.02 0.00 0.00 57.16 55.37 1w6o n GLU 2115Cb 0.40 -1.31 -0.06 0.00 -0.02 0.00 0.00 31.44 30.45 1w6o n GLU 2115CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1w6o s ALA 2116N -1.12 -1.96 -0.26 0.62 0.00 -1.26 -4.32 121.76 113.45 1w6o s ALA 2116Ca 0.22 1.75 -0.03 0.00 0.00 0.00 0.00 51.96 53.91 1w6o s ALA 2116Cb 0.14 -1.15 0.02 0.00 0.00 0.00 0.00 23.12 22.13 1w6o s ALA 2116CO 0.19 -0.26 -0.02 0.42 0.00 0.00 0.00 175.76 176.09 1w6o s ILE 2117N -0.31 3.25 -0.50 0.00 1.01 -0.01 -4.84 121.20 119.79 1w6o s ILE 2117Ca 0.01 -0.89 0.10 0.00 0.00 0.00 0.00 60.65 59.87 1w6o s ILE 2117Cb -0.03 -2.65 -0.10 0.00 0.01 0.00 0.00 42.46 39.69 1w6o s ILE 2117CO -0.03 0.17 0.43 0.59 0.00 0.00 0.00 174.94 176.10 1w6o n ASN 2118N 4.74 0.52 -4.18 3.58 4.13 -0.89 -0.90 115.26 122.26 1w6o n ASN 2118Ca -0.16 -0.76 -0.26 0.00 1.68 0.00 0.00 54.58 55.08 1w6o n ASN 2118Cb 0.48 0.96 -0.16 0.00 -1.54 0.00 0.00 39.78 39.51 1w6o n ASN 2118CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1w6o s TYR 2119N -1.87 1.72 -0.09 3.10 5.04 0.67 -1.17 117.35 124.75 1w6o s TYR 2119Ca 0.04 -0.36 -0.09 0.00 -2.44 0.00 0.00 57.07 54.22 1w6o s TYR 2119Cb 0.07 -1.12 0.02 0.00 0.35 0.00 0.00 41.96 41.29 1w6o s TYR 2119CO 0.39 -0.06 0.24 1.41 -1.34 0.00 0.00 175.55 176.19 1w6o s MET 2120N -0.35 0.30 -0.19 4.97 -2.45 -0.43 -0.96 119.30 120.20 1w6o s MET 2120Ca 0.05 0.31 -0.13 0.00 -1.25 0.00 0.00 55.69 54.67 1w6o s MET 2120Cb -0.08 0.14 0.06 0.00 1.25 0.00 0.00 34.83 36.20 1w6o s MET 2120CO -0.00 -0.04 0.47 0.00 1.05 0.00 0.00 175.02 176.50 1w6o s ALA 2121N 0.06 -1.20 0.16 4.11 0.00 -0.20 -0.01 121.76 124.68 1w6o s ALA 2121Ca -0.01 1.54 0.06 0.00 0.00 0.00 0.00 51.96 53.56 1w6o s ALA 2121Cb -0.02 -0.92 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 1w6o s ALA 2121CO 0.00 -0.26 0.06 0.00 0.00 0.00 0.00 175.76 175.56 1w6o s ALA 2122N 0.89 3.37 0.53 0.00 0.00 -0.53 0.23 121.76 126.25 1w6o s ALA 2122Ca -0.05 -1.27 -0.00 0.00 0.00 0.00 0.00 51.96 50.63 1w6o s ALA 2122Cb -0.06 -1.18 0.05 0.00 0.00 0.00 0.00 23.12 21.94 1w6o s ALA 2122CO -0.07 0.52 0.38 -0.40 0.00 0.00 0.00 175.76 176.18 1w6o n ASP 2123N -0.14 0.48 0.00 0.00 3.85 -0.83 -0.77 116.55 119.14 1w6o n ASP 2123Ca -0.09 -1.41 0.05 0.00 -0.71 0.00 0.00 54.79 52.62 1w6o n ASP 2123Cb 0.55 -0.25 0.23 0.00 -1.35 0.00 0.00 41.12 40.30 1w6o n ASP 2123CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1w6o n GLY 2124N 2.15 -0.62 0.71 6.12 0.00 -1.26 -2.56 105.19 109.73 1w6o n GLY 2124Ca 0.06 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.13 1w6o n GLY 2124CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1w6o n ASP 2125N -1.31 2.46 -3.77 1.61 10.43 -1.26 -4.78 116.55 119.93 1w6o n ASP 2125Ca 0.04 -1.73 -0.30 0.00 2.57 0.00 0.00 54.79 55.37 1w6o n ASP 2125Cb 0.08 0.10 -0.15 0.00 1.84 0.00 0.00 41.12 42.99 1w6o n ASP 2125CO 0.00 0.00 0.00 0.12 -1.07 0.00 0.00 177.20 176.25 1w6o s PHE 2126N -1.74 2.04 -0.57 1.24 5.36 -1.06 -0.74 117.98 122.51 1w6o s PHE 2126Ca 0.21 -2.01 -0.24 0.00 -0.96 0.00 0.00 56.93 53.94 1w6o s PHE 2126Cb 0.16 -1.91 0.05 0.00 -0.34 0.00 0.00 43.02 40.98 1w6o s PHE 2126CO 0.29 -0.88 0.93 0.21 -1.46 0.00 0.00 175.22 174.32 1w6o s LYS 2127N 1.34 3.27 0.13 10.12 2.20 -0.34 -4.50 119.74 131.96 1w6o s LYS 2127Ca 0.11 -0.42 -0.31 0.00 -0.36 0.00 0.00 55.97 54.99 1w6o s LYS 2127Cb -0.18 -4.09 -0.09 0.00 -1.51 0.00 0.00 37.83 31.95 1w6o s LYS 2127CO -0.19 -1.54 1.59 0.42 -0.36 0.00 0.00 175.35 175.26 1w6o s ILE 2128N 3.91 2.80 -0.10 5.43 1.01 -1.26 -0.11 121.20 132.89 1w6o s ILE 2128Ca 0.28 0.48 0.15 0.00 0.00 0.00 0.00 60.65 61.56 1w6o s ILE 2128Cb -0.14 -3.31 -0.21 0.00 0.01 0.00 0.00 42.46 38.81 1w6o s ILE 2128CO 0.17 0.02 0.18 0.29 0.00 0.00 0.00 174.94 175.60 1w6o n LYS 2129N 4.56 1.11 -3.55 2.79 4.76 0.15 -4.92 118.16 123.06 1w6o n LYS 2129Ca 0.14 -0.07 -0.15 0.00 -2.87 0.00 0.00 58.31 55.37 1w6o n LYS 2129Cb 0.39 -1.38 -0.06 0.00 -1.84 0.00 0.00 35.03 32.14 1w6o n LYS 2129CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1w6o s VAL 2131N -0.97 0.40 0.09 0.00 1.01 -1.26 -1.35 120.40 118.33 1w6o s VAL 2131Ca -0.06 -0.05 0.07 0.00 0.00 0.00 0.00 61.98 61.93 1w6o s VAL 2131Cb -0.01 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.89 1w6o s VAL 2131CO 0.06 0.19 -0.18 0.00 0.00 0.00 0.00 175.10 175.17 1w6o s ALA 2132N 0.92 1.51 -0.18 5.51 0.00 -0.14 -4.98 121.76 124.41 1w6o s ALA 2132Ca -0.11 -1.13 0.01 0.00 0.00 0.00 0.00 51.96 50.73 1w6o s ALA 2132Cb -0.14 -0.18 0.03 0.00 0.00 0.00 0.00 23.12 22.83 1w6o s ALA 2132CO -0.00 0.27 -0.12 -0.06 0.00 0.00 0.00 175.76 175.84 1w6o s PHE 2133N -1.20 2.33 0.00 0.00 0.40 -1.26 -1.38 117.98 116.86 1w6o s PHE 2133Ca 0.03 -1.44 0.00 0.00 -0.60 0.00 0.00 56.93 54.92 1w6o s PHE 2133Cb -0.10 -1.63 0.00 0.00 0.51 0.00 0.00 43.02 41.80 1w6o s PHE 2133CO 0.03 -0.71 0.00 -0.40 0.70 0.00 0.00 175.22 174.84