#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s16 n TYR 2005N 0.00 -0.85 -3.55 4.78 9.36 -1.26 -5.00 117.16 120.64 1s16 n TYR 2005Ca 0.00 -3.33 0.00 0.00 3.32 0.00 0.00 57.90 57.89 1s16 n TYR 2005Cb 0.00 0.14 0.00 0.00 -0.63 0.00 0.00 39.34 38.85 1s16 n TYR 2005CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1s16 n ASN 2006N 2.48 1.23 -0.30 2.98 5.03 -1.26 -4.97 115.26 120.44 1s16 n ASN 2006Ca 0.28 -0.94 0.14 0.00 0.87 0.00 0.00 54.58 54.93 1s16 n ASN 2006Cb 0.49 0.00 0.39 0.00 -1.02 0.00 0.00 39.78 39.64 1s16 n ASN 2006CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1s16 h ALA 2007N 0.77 1.87 0.00 5.41 0.00 -1.99 0.22 119.26 125.54 1s16 h ALA 2007Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1s16 h ALA 2007Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1s16 h ALA 2007CO 0.00 -0.17 0.00 -0.40 0.00 0.00 0.00 179.25 178.68 1s16 n ASP 2008N -4.62 0.34 0.14 0.00 5.75 -1.26 -1.20 116.55 115.69 1s16 n ASP 2008Ca 0.20 0.64 0.13 0.00 -0.01 0.00 0.00 54.79 55.75 1s16 n ASP 2008Cb 0.57 -0.69 0.40 0.00 -1.03 0.00 0.00 41.12 40.37 1s16 n ASP 2008CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1s16 h ALA 2009N 2.09 1.00 -2.56 2.12 0.00 -1.32 -3.43 119.26 117.17 1s16 h ALA 2009Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 1s16 h ALA 2009Cb 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.77 1s16 h ALA 2009CO 0.00 0.00 0.11 0.42 0.00 0.00 0.00 179.25 179.78 1s16 s ILE 2010N -3.18 5.02 -0.11 0.00 -1.09 -0.34 -5.05 121.20 116.44 1s16 s ILE 2010Ca 0.08 1.11 -0.02 0.00 -2.23 0.00 0.00 60.65 59.59 1s16 s ILE 2010Cb 0.10 -3.92 -0.03 0.00 -1.58 0.00 0.00 42.46 37.03 1s16 s ILE 2010CO 0.57 0.09 -0.02 -1.61 -1.23 0.00 0.00 174.94 172.74 1s16 s GLU 2011N 2.13 3.23 -0.27 2.79 2.02 -1.26 -5.07 118.70 122.27 1s16 s GLU 2011Ca 0.27 -0.46 -0.06 0.00 0.02 0.00 0.00 54.97 54.74 1s16 s GLU 2011Cb -0.16 -2.83 -0.00 0.00 0.10 0.00 0.00 34.13 31.24 1s16 s GLU 2011CO 0.09 0.53 0.05 0.08 0.02 0.00 0.00 175.26 176.03 1s16 s VAL 2012N -0.41 3.91 0.01 2.63 1.01 -1.26 -5.09 120.40 121.19 1s16 s VAL 2012Ca 0.07 -0.52 -0.18 0.00 0.00 0.00 0.00 61.98 61.35 1s16 s VAL 2012Cb -0.12 -2.92 -0.06 0.00 0.00 0.00 0.00 36.38 33.28 1s16 s VAL 2012CO 0.02 0.22 0.50 -0.76 0.00 0.00 0.00 175.10 175.08 1s16 s LEU 2013N 1.52 4.46 0.30 3.92 1.43 -1.26 -5.08 118.68 123.96 1s16 s LEU 2013Ca 0.04 1.07 0.05 0.00 -1.03 0.00 0.00 54.13 54.26 1s16 s LEU 2013Cb -0.16 -2.75 -0.06 0.00 0.03 0.00 0.00 46.19 43.24 1s16 s LEU 2013CO 0.01 0.23 0.01 0.42 0.23 0.00 0.00 176.35 177.25 1s16 s THR 2014N -0.70 1.32 0.00 5.49 -4.23 -1.26 -4.81 115.64 111.45 1s16 s THR 2014Ca 0.27 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 1s16 s THR 2014Cb -0.18 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.04 1s16 s THR 2014CO 0.15 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 1s16 n GLY 2015N -0.62 4.19 0.97 3.99 0.00 -1.26 -1.61 105.19 110.85 1s16 n GLY 2015Ca -0.04 0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.25 1s16 n GLY 2015CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s16 n LEU 2016N 0.00 3.03 -0.34 0.99 4.77 -1.26 -4.53 117.00 119.66 1s16 n LEU 2016Ca 0.00 -1.04 0.06 0.00 -0.03 0.00 0.00 56.01 55.00 1s16 n LEU 2016Cb 0.00 -0.02 0.23 0.00 -2.33 0.00 0.00 43.42 41.29 1s16 n LEU 2016CO 0.00 0.52 1.21 -0.33 -1.33 0.00 0.00 177.39 177.46 1s16 h GLU 2017N 4.67 0.90 -0.41 3.23 5.08 -1.67 -1.97 114.58 124.40 1s16 h GLU 2017Ca 0.00 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1s16 h GLU 2017Cb 0.99 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 1s16 h GLU 2017CO 0.00 0.60 0.27 -1.00 -1.00 0.00 0.00 179.01 177.88 1s16 h PRO 2018N 0.93 0.52 -0.09 2.33 0.13 -1.80 0.12 132.00 134.14 1s16 h PRO 2018Ca 0.48 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 65.53 1s16 h PRO 2018Cb 0.49 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.50 1s16 h PRO 2018CO -0.27 0.34 -0.15 0.28 -0.23 0.00 0.00 178.00 177.98 1s16 h VAL 2019N 0.54 1.39 0.00 1.56 2.07 -1.65 0.34 116.25 120.50 1s16 h VAL 2019Ca 0.16 -1.40 -0.05 0.00 0.82 0.00 0.00 66.70 66.22 1s16 h VAL 2019Cb -0.02 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1s16 h VAL 2019CO -0.03 0.40 -0.23 0.03 0.02 0.00 0.00 177.57 177.76 1s16 h ARG 2020N -0.19 0.00 0.19 1.57 3.08 -1.19 -0.28 114.38 117.56 1s16 h ARG 2020Ca 0.01 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.75 1s16 h ARG 2020Cb 0.71 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.78 1s16 h ARG 2020CO 0.03 0.23 -1.42 0.00 -1.07 0.00 0.00 179.97 177.74 1s16 h ARG 2021N 0.00 0.41 -2.15 0.04 2.47 -0.92 -3.40 114.38 110.82 1s16 h ARG 2021Ca -0.00 -0.70 -0.57 0.00 -1.26 0.00 0.00 59.98 57.45 1s16 h ARG 2021Cb 0.46 0.26 -0.41 0.00 -1.65 0.00 0.00 29.97 28.63 1s16 h ARG 2021CO 0.03 1.33 -0.79 0.54 0.56 0.00 0.00 179.97 181.64 1s16 n ARG 2022N -3.80 2.17 0.22 0.04 5.12 0.10 -4.92 116.66 115.59 1s16 n ARG 2022Ca -0.20 -4.27 0.08 0.00 -1.93 0.00 0.00 57.85 51.53 1s16 n ARG 2022Cb 1.01 -1.98 0.61 0.00 -1.16 0.00 0.00 32.46 30.95 1s16 n ARG 2022CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1s16 h PRO 2023N 3.64 0.07 -0.86 5.56 0.13 -1.25 -2.95 132.00 136.34 1s16 h PRO 2023Ca 0.14 -0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.43 1s16 h PRO 2023Cb 0.70 -0.02 -0.06 0.00 0.13 0.00 0.00 31.00 31.75 1s16 h PRO 2023CO 0.71 0.05 0.56 0.78 -0.23 0.00 0.00 178.00 179.87 1s16 h GLY 2024N 0.07 0.99 -0.01 1.56 0.00 -1.86 -0.96 103.07 102.87 1s16 h GLY 2024Ca 0.02 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1s16 h GLY 2024CO -0.00 0.05 -0.11 1.15 0.00 0.00 0.00 176.54 177.63 1s16 n MET 2025N -4.53 1.23 -0.00 4.80 0.00 -1.11 -4.04 117.12 113.47 1s16 n MET 2025Ca 0.17 -0.68 0.06 0.00 0.00 0.00 0.00 57.70 57.26 1s16 n MET 2025Cb 0.56 -1.49 -0.09 0.00 0.00 0.00 0.00 33.22 32.21 1s16 n MET 2025CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1s16 n TYR 2026N -0.29 0.00 -3.81 3.17 4.01 -0.42 -4.56 117.16 115.26 1s16 n TYR 2026Ca 0.16 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.81 1s16 n TYR 2026Cb 0.33 -0.18 0.03 0.00 -0.31 0.00 0.00 39.34 39.21 1s16 n TYR 2026CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1s16 s THR 2027N -2.61 0.00 -0.42 -0.72 -1.32 -0.88 -4.70 115.64 104.99 1s16 s THR 2027Ca -0.01 -1.00 -0.21 0.00 -1.21 0.00 0.00 61.69 59.26 1s16 s THR 2027Cb 0.09 -2.94 0.02 0.00 -1.51 0.00 0.00 72.50 68.16 1s16 s THR 2027CO 0.52 0.00 0.64 -0.62 -2.21 0.00 0.00 174.62 172.95 1s16 s ASP 2028N -3.08 6.34 0.00 8.08 -1.08 -1.26 -4.64 116.67 121.03 1s16 s ASP 2028Ca 0.16 -0.24 0.15 0.00 -0.52 0.00 0.00 52.55 52.10 1s16 s ASP 2028Cb -0.05 -2.32 0.75 0.00 -1.46 0.00 0.00 42.92 39.84 1s16 s ASP 2028CO 0.12 -0.74 1.50 0.35 0.52 0.00 0.00 175.17 176.92 1s16 n THR 2029N 5.79 0.08 -0.07 1.71 -2.24 -1.26 -3.89 114.28 114.41 1s16 n THR 2029Ca -0.02 -0.11 -0.12 0.00 -2.27 0.00 0.00 64.05 61.53 1s16 n THR 2029Cb 0.48 -0.05 -0.05 0.00 -2.10 0.00 0.00 70.33 68.61 1s16 n THR 2029CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1s16 h THR 2030N 0.64 1.28 -3.22 4.28 2.02 -1.91 0.00 112.91 116.00 1s16 h THR 2030Ca 0.00 -0.99 -0.02 0.00 0.77 0.00 0.00 66.41 66.17 1s16 h THR 2030Cb 0.14 1.50 -0.11 0.00 -1.74 0.00 0.00 68.15 67.94 1s16 h THR 2030CO 0.00 0.30 0.07 0.00 0.37 0.00 0.00 175.52 176.26 1s16 s ARG 2031N -4.82 1.31 0.00 6.66 1.70 -1.25 -2.06 118.95 120.49 1s16 s ARG 2031Ca -0.14 -0.73 0.11 0.00 -0.47 0.00 0.00 55.73 54.50 1s16 s ARG 2031Cb 0.07 0.53 0.66 0.00 -0.57 0.00 0.00 34.95 35.64 1s16 s ARG 2031CO 0.74 -0.56 1.24 -0.35 -1.08 0.00 0.00 175.30 175.30 1s16 n PRO 2032N -0.33 0.77 -0.26 3.89 -0.04 -1.26 -4.15 135.00 133.61 1s16 n PRO 2032Ca -0.13 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.39 1s16 n PRO 2032Cb 0.63 -1.22 0.19 0.00 -0.04 0.00 0.00 33.50 33.06 1s16 n PRO 2032CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1s16 h ASN 2033N 0.00 0.28 -0.08 3.54 2.35 -1.88 -0.70 115.58 119.09 1s16 h ASN 2033Ca 0.00 0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 1s16 h ASN 2033Cb 0.00 0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1s16 h ASN 2033CO 0.00 0.10 -0.02 -0.74 -1.65 0.00 0.00 177.43 175.11 1s16 h HIS 2034N 0.44 0.27 -0.76 1.19 2.76 -1.86 -0.04 115.15 117.16 1s16 h HIS 2034Ca 0.42 -0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.60 1s16 h HIS 2034Cb 0.65 -0.08 -0.04 0.00 1.55 0.00 0.00 27.41 29.49 1s16 h HIS 2034CO -0.17 0.31 0.49 -0.07 -1.30 0.00 0.00 177.93 177.19 1s16 h LEU 2035N 0.27 0.82 -0.37 0.26 4.07 -1.44 -0.53 115.31 118.39 1s16 h LEU 2035Ca 0.06 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 57.98 1s16 h LEU 2035Cb 0.22 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.76 1s16 h LEU 2035CO 0.01 0.58 0.11 1.23 -1.08 0.00 0.00 178.44 179.29 1s16 h GLY 2036N 0.97 0.62 1.76 0.83 0.00 -0.79 -2.52 103.07 103.94 1s16 h GLY 2036Ca 0.29 -0.37 0.01 0.00 0.00 0.00 0.00 47.33 47.26 1s16 h GLY 2036CO -0.09 0.35 0.14 1.46 0.00 0.00 0.00 176.54 178.40 1s16 h GLN 2037N 0.45 0.24 -0.37 4.80 4.20 -0.55 0.16 115.11 124.04 1s16 h GLN 2037Ca 0.12 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 1s16 h GLN 2037Cb 0.26 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 1s16 h GLN 2037CO -0.00 0.16 0.23 1.49 -0.67 0.00 0.00 178.83 180.03 1s16 h GLU 2038N 0.24 0.49 -0.24 1.46 4.57 -0.68 0.43 114.58 120.86 1s16 h GLU 2038Ca 0.08 -0.04 -0.15 0.00 -1.18 0.00 0.00 59.36 58.07 1s16 h GLU 2038Cb 0.03 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 1s16 h GLU 2038CO -0.02 0.36 -0.43 0.28 -1.18 0.00 0.00 179.01 178.02 1s16 h VAL 2039N 0.48 1.31 -0.69 0.32 2.07 -1.03 -2.96 116.25 115.75 1s16 h VAL 2039Ca 0.13 -1.64 -0.03 0.00 0.82 0.00 0.00 66.70 65.99 1s16 h VAL 2039Cb -0.01 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 1s16 h VAL 2039CO -0.03 0.52 0.32 0.40 0.02 0.00 0.00 177.57 178.80 1s16 h ILE 2040N 0.44 1.23 -0.86 4.57 2.04 -0.48 -2.67 117.51 121.78 1s16 h ILE 2040Ca 0.01 -0.67 0.02 0.00 1.00 0.00 0.00 64.86 65.23 1s16 h ILE 2040Cb 1.03 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 37.47 1s16 h ILE 2040CO 0.10 0.28 0.56 0.44 0.00 0.00 0.00 178.15 179.53 1s16 h ASP 2041N 0.96 0.95 -0.63 1.72 3.32 -0.12 0.46 116.42 123.09 1s16 h ASP 2041Ca 0.23 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.21 1s16 h ASP 2041Cb 0.14 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 1s16 h ASP 2041CO -0.03 0.67 0.19 0.78 -1.72 0.00 0.00 179.24 179.14 1s16 h ASN 2042N 1.12 0.94 -0.27 6.45 2.35 -1.32 0.50 115.58 125.37 1s16 h ASN 2042Ca 0.33 -0.17 -0.13 0.00 -0.55 0.00 0.00 56.30 55.78 1s16 h ASN 2042Cb -0.06 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.06 1s16 h ASN 2042CO -0.09 0.89 -0.34 0.28 -1.65 0.00 0.00 177.43 176.52 1s16 h SER 2043N 0.97 0.76 -0.72 5.81 0.02 -1.11 -2.89 113.55 116.39 1s16 h SER 2043Ca 0.21 -0.50 -0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1s16 h SER 2043Cb 0.30 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.59 1s16 h SER 2043CO -0.01 1.10 0.44 0.58 -1.14 0.00 0.00 176.83 177.81 1s16 h VAL 2044N 0.43 1.20 -0.69 2.27 2.07 -0.64 -1.38 116.25 119.50 1s16 h VAL 2044Ca 0.03 -0.42 0.03 0.00 0.82 0.00 0.00 66.70 67.17 1s16 h VAL 2044Cb 0.92 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 1s16 h VAL 2044CO 0.08 0.20 0.46 0.44 0.02 0.00 0.00 177.57 178.77 1s16 h ASP 2045N 0.99 0.73 0.11 0.57 3.32 -0.70 0.29 116.42 121.72 1s16 h ASP 2045Ca 0.26 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.21 1s16 h ASP 2045Cb -0.06 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 1s16 h ASP 2045CO -0.05 0.50 -0.30 -0.33 -1.72 0.00 0.00 179.24 177.34 1s16 h GLU 2046N 0.84 0.30 -0.14 3.56 4.39 -1.10 -1.58 114.58 120.86 1s16 h GLU 2046Ca 0.28 -0.12 -0.22 0.00 0.34 0.00 0.00 59.36 59.64 1s16 h GLU 2046Cb 0.05 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1s16 h GLU 2046CO -0.08 0.58 -0.78 0.00 -1.16 0.00 0.00 179.01 177.57 1s16 h ALA 2047N 1.42 0.28 -0.03 3.43 0.00 -0.54 0.21 119.26 124.02 1s16 h ALA 2047Ca 0.04 -0.60 -0.06 0.00 0.00 0.00 0.00 54.91 54.28 1s16 h ALA 2047Cb 0.67 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1s16 h ALA 2047CO 0.05 0.65 -0.28 -0.07 0.00 0.00 0.00 179.25 179.60 1s16 h LEU 2048N 0.49 0.06 -0.04 0.00 3.38 -0.30 -0.96 115.31 117.93 1s16 h LEU 2048Ca -0.06 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1s16 h LEU 2048Cb 1.41 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.15 1s16 h LEU 2048CO 0.16 0.34 -0.02 0.00 0.09 0.00 0.00 178.44 179.02 1s16 n ALA 2049N -2.48 2.56 -1.24 1.53 0.00 -0.62 -4.91 120.51 115.35 1s16 n ALA 2049Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1s16 n ALA 2049Cb 0.35 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1s16 n ALA 2049CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s16 n GLY 2050N 1.24 0.59 0.06 0.00 0.00 -0.37 -4.97 105.19 101.74 1s16 n GLY 2050Ca 0.16 -0.80 -0.07 0.00 0.00 0.00 0.00 46.02 45.31 1s16 n GLY 2050CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1s16 n HIS 2051N -3.14 0.00 -4.11 1.61 8.25 0.70 -4.98 115.22 113.54 1s16 n HIS 2051Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 1s16 n HIS 2051Cb 0.22 -0.56 -0.07 0.00 1.12 0.00 0.00 29.99 30.69 1s16 n HIS 2051CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1s16 s ALA 2052N -2.28 3.60 -0.35 -1.41 0.00 -0.90 -4.33 121.76 116.09 1s16 s ALA 2052Ca -0.09 -0.77 0.13 0.00 0.00 0.00 0.00 51.96 51.22 1s16 s ALA 2052Cb 0.04 -1.68 -0.16 0.00 0.00 0.00 0.00 23.12 21.31 1s16 s ALA 2052CO 0.44 0.64 0.43 1.63 0.00 0.00 0.00 175.76 178.89 1s16 n LYS 2053N 1.71 1.82 -3.71 0.00 5.02 -1.26 -4.31 118.16 117.44 1s16 n LYS 2053Ca -0.17 -0.05 -0.14 0.00 -2.02 0.00 0.00 58.31 55.93 1s16 n LYS 2053Cb 0.54 -1.18 -0.08 0.00 -0.02 0.00 0.00 35.03 34.29 1s16 n LYS 2053CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1s16 s ARG 2054N -2.48 0.76 -0.09 1.97 3.52 -1.26 -1.30 118.95 120.06 1s16 s ARG 2054Ca 0.01 -0.10 -0.01 0.00 -0.13 0.00 0.00 55.73 55.50 1s16 s ARG 2054Cb 0.09 0.34 0.03 0.00 -1.56 0.00 0.00 34.95 33.85 1s16 s ARG 2054CO 0.52 -0.22 -0.04 0.08 -0.81 0.00 0.00 175.30 174.84 1s16 s VAL 2055N -1.34 0.69 -0.10 7.11 1.01 -0.61 -3.04 120.40 124.12 1s16 s VAL 2055Ca -0.13 -0.08 -0.00 0.00 0.00 0.00 0.00 61.98 61.77 1s16 s VAL 2055Cb -0.04 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 1s16 s VAL 2055CO 0.05 0.31 -0.09 -1.81 0.00 0.00 0.00 175.10 173.57 1s16 s ASP 2056N 1.84 4.42 -0.06 3.32 -0.00 0.18 -2.15 116.67 124.22 1s16 s ASP 2056Ca 0.05 -0.16 0.04 0.00 -0.00 0.00 0.00 52.55 52.49 1s16 s ASP 2056Cb -0.12 -1.39 -0.00 0.00 -0.00 0.00 0.00 42.92 41.40 1s16 s ASP 2056CO -0.07 0.26 -0.19 -0.69 -0.00 0.00 0.00 175.17 174.48 1s16 s VAL 2057N -0.20 1.63 -0.12 -1.27 1.01 -0.24 0.05 120.40 121.26 1s16 s VAL 2057Ca 0.02 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1s16 s VAL 2057Cb -0.13 -1.41 0.02 0.00 0.00 0.00 0.00 36.38 34.86 1s16 s VAL 2057CO 0.03 0.46 -0.11 -0.63 0.00 0.00 0.00 175.10 174.85 1s16 s ILE 2058N 0.14 1.25 -0.48 2.22 1.09 0.30 -0.67 121.20 125.04 1s16 s ILE 2058Ca -0.08 -0.45 -0.18 0.00 -1.10 0.00 0.00 60.65 58.84 1s16 s ILE 2058Cb -0.14 -1.20 0.05 0.00 -1.06 0.00 0.00 42.46 40.11 1s16 s ILE 2058CO 0.04 0.40 0.55 -0.22 -0.10 0.00 0.00 174.94 175.61 1s16 s LEU 2059N 1.41 5.02 0.69 2.97 2.96 0.18 -1.20 118.68 130.70 1s16 s LEU 2059Ca 0.01 -0.89 -0.11 0.00 -0.22 0.00 0.00 54.13 52.92 1s16 s LEU 2059Cb -0.13 -2.41 0.00 0.00 0.50 0.00 0.00 46.19 44.15 1s16 s LEU 2059CO -0.06 -0.78 1.06 -1.00 -1.32 0.00 0.00 176.35 174.24 1s16 s HIS 2060N 2.38 3.17 0.54 5.38 3.76 -0.48 -0.67 115.29 129.37 1s16 s HIS 2060Ca 0.13 1.40 0.21 0.00 -0.15 0.00 0.00 55.06 56.66 1s16 s HIS 2060Cb -0.19 -2.87 1.39 0.00 1.11 0.00 0.00 32.58 32.03 1s16 s HIS 2060CO 0.12 -1.18 2.11 0.00 -0.85 0.00 0.00 174.74 174.94 1s16 h ALA 2061N -0.68 2.10 -0.28 -1.40 0.00 -1.88 -1.37 119.26 115.75 1s16 h ALA 2061Ca -0.44 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 1s16 h ALA 2061Cb 1.21 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1s16 h ALA 2061CO 0.57 -0.23 0.06 -0.40 0.00 0.00 0.00 179.25 179.25 1s16 n ASP 2062N -4.36 3.04 -1.77 0.00 5.68 -1.26 -4.87 116.55 113.02 1s16 n ASP 2062Ca 0.01 -2.45 -0.18 0.00 -0.50 0.00 0.00 54.79 51.68 1s16 n ASP 2062Cb 0.27 -0.59 -0.04 0.00 -1.14 0.00 0.00 41.12 39.62 1s16 n ASP 2062CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1s16 n GLN 2063N 0.17 -1.37 -3.69 0.11 1.13 -0.51 -5.01 117.38 108.20 1s16 n GLN 2063Ca 0.14 1.01 -0.21 0.00 -1.94 0.00 0.00 57.00 56.00 1s16 n GLN 2063Cb 0.72 -5.41 -0.01 0.00 0.11 0.00 0.00 30.24 25.65 1s16 n GLN 2063CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1s16 s SER 2064N -2.47 6.17 0.03 1.08 1.04 -1.25 -4.67 113.70 113.63 1s16 s SER 2064Ca 0.00 0.02 0.07 0.00 0.48 0.00 0.00 55.95 56.52 1s16 s SER 2064Cb 0.00 -1.63 -0.02 0.00 0.10 0.00 0.00 66.02 64.46 1s16 s SER 2064CO 0.00 -0.25 -0.19 -0.22 0.98 0.00 0.00 173.24 173.56 1s16 s LEU 2065N -4.11 2.14 -0.06 2.42 2.96 -0.63 -1.38 118.68 120.02 1s16 s LEU 2065Ca 0.39 -0.47 0.03 0.00 -0.22 0.00 0.00 54.13 53.86 1s16 s LEU 2065Cb -0.09 -0.91 0.01 0.00 0.50 0.00 0.00 46.19 45.70 1s16 s LEU 2065CO 0.31 0.16 -0.13 -0.70 -1.32 0.00 0.00 176.35 174.67 1s16 s GLU 2066N -0.99 1.65 -0.11 1.98 2.12 -0.34 -1.07 118.70 121.94 1s16 s GLU 2066Ca 0.06 -0.44 0.01 0.00 0.36 0.00 0.00 54.97 54.97 1s16 s GLU 2066Cb -0.08 -1.38 0.02 0.00 0.26 0.00 0.00 34.13 32.94 1s16 s GLU 2066CO 0.01 0.07 -0.13 0.08 -0.54 0.00 0.00 175.26 174.75 1s16 s VAL 2067N 0.51 1.35 -0.03 3.70 1.01 0.14 -0.54 120.40 126.54 1s16 s VAL 2067Ca -0.12 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.38 1s16 s VAL 2067Cb -0.14 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 1s16 s VAL 2067CO 0.03 0.42 -0.18 -0.63 0.00 0.00 0.00 175.10 174.73 1s16 s ILE 2068N 1.20 1.49 0.13 2.22 1.01 0.11 -1.23 121.20 126.12 1s16 s ILE 2068Ca -0.03 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.85 1s16 s ILE 2068Cb -0.14 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 1s16 s ILE 2068CO -0.04 0.42 0.00 1.51 0.00 0.00 0.00 174.94 176.83 1s16 s ASP 2069N -0.20 0.82 -0.50 3.58 1.47 -0.47 0.51 116.67 121.89 1s16 s ASP 2069Ca 0.01 -1.13 0.03 0.00 1.18 0.00 0.00 52.55 52.65 1s16 s ASP 2069Cb -0.10 0.18 0.42 0.00 -0.34 0.00 0.00 42.92 43.09 1s16 s ASP 2069CO 0.01 -0.61 1.40 -0.90 0.68 0.00 0.00 175.17 175.76 1s16 n ASP 2070N -0.11 5.63 -2.37 2.11 5.75 -1.17 -2.41 116.55 123.98 1s16 n ASP 2070Ca -0.08 -3.76 0.00 0.00 -0.01 0.00 0.00 54.79 50.94 1s16 n ASP 2070Cb 0.63 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 1s16 n ASP 2070CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s16 n GLY 2071N -0.61 0.29 0.13 6.12 0.00 -1.25 -4.28 105.19 105.60 1s16 n GLY 2071Ca 0.46 -1.67 0.12 0.00 0.00 0.00 0.00 46.02 44.94 1s16 n GLY 2071CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1s16 h ARG 2072N 0.00 0.00 0.00 1.61 3.08 -1.85 -2.12 114.38 115.10 1s16 h ARG 2072Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1s16 h ARG 2072Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1s16 h ARG 2072CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1s16 n GLY 2073N 0.30 -2.41 3.71 0.04 0.00 -1.26 -4.43 105.19 101.14 1s16 n GLY 2073Ca 0.03 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 1s16 n GLY 2073CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1s16 s MET 2074N -4.55 4.26 0.26 1.61 1.00 -1.26 -4.92 119.30 115.69 1s16 s MET 2074Ca 0.00 2.22 -0.31 0.00 0.00 0.00 0.00 55.69 57.61 1s16 s MET 2074Cb 0.00 -3.25 -0.13 0.00 0.00 0.00 0.00 34.83 31.44 1s16 s MET 2074CO 0.00 -0.55 1.36 -2.30 0.00 0.00 0.00 175.02 173.54 1s16 n PRO 2075N 4.18 1.99 0.00 2.03 -0.02 -1.26 -4.84 135.00 137.07 1s16 n PRO 2075Ca 0.13 0.71 0.02 0.00 -2.02 0.00 0.00 63.50 62.33 1s16 n PRO 2075Cb 0.40 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1s16 n PRO 2075CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1s16 n VAL 2076N 1.57 0.00 -1.38 -1.45 0.24 -1.26 -1.57 118.33 114.47 1s16 n VAL 2076Ca 0.10 -0.47 -0.30 0.00 -2.04 0.00 0.00 64.34 61.64 1s16 n VAL 2076Cb 0.32 1.04 0.12 0.00 -1.47 0.00 0.00 33.84 33.85 1s16 n VAL 2076CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1s16 s ASP 2077N -0.69 3.82 0.09 -1.34 -4.77 -1.26 -4.23 116.67 108.28 1s16 s ASP 2077Ca 0.03 1.32 -0.31 0.00 -3.30 0.00 0.00 52.55 50.29 1s16 s ASP 2077Cb 0.03 -2.01 -0.08 0.00 -1.09 0.00 0.00 42.92 39.76 1s16 s ASP 2077CO 0.07 -2.40 1.47 -0.63 0.70 0.00 0.00 175.17 174.38 1s16 s ILE 2078N -3.07 3.21 -0.03 2.11 -1.09 -1.26 -1.23 121.20 119.85 1s16 s ILE 2078Ca 0.63 0.80 -0.30 0.00 -2.23 0.00 0.00 60.65 59.55 1s16 s ILE 2078Cb -0.16 -3.51 -0.05 0.00 -1.58 0.00 0.00 42.46 37.16 1s16 s ILE 2078CO 0.55 0.04 1.35 -2.28 -1.23 0.00 0.00 174.94 173.37 1s16 s HIS 2079N 1.61 2.90 0.39 3.97 5.65 0.23 -4.87 115.29 125.18 1s16 s HIS 2079Ca 0.67 0.91 0.17 0.00 0.25 0.00 0.00 55.06 57.06 1s16 s HIS 2079Cb -0.38 -3.60 1.06 0.00 -1.18 0.00 0.00 32.58 28.48 1s16 s HIS 2079CO 0.30 -2.16 1.79 -1.00 -0.65 0.00 0.00 174.74 173.02 1s16 h PRO 2080N 7.84 0.43 0.02 2.88 0.13 -1.93 0.90 132.00 142.26 1s16 h PRO 2080Ca -0.36 -0.03 -0.37 0.00 -0.87 0.00 0.00 66.00 64.38 1s16 h PRO 2080Cb 1.17 -0.10 -0.05 0.00 0.13 0.00 0.00 31.00 32.15 1s16 h PRO 2080CO 0.90 0.28 -2.05 0.39 -0.23 0.00 0.00 178.00 177.30 1s16 n GLU 2081N -4.62 0.61 0.15 0.86 1.02 -1.26 -4.50 120.64 112.90 1s16 n GLU 2081Ca 0.24 0.35 0.13 0.00 -0.02 0.00 0.00 57.16 57.86 1s16 n GLU 2081Cb 0.81 -1.61 0.39 0.00 -0.02 0.00 0.00 31.44 31.01 1s16 n GLU 2081CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1s16 h GLU 2082N -0.73 0.00 -0.71 3.49 4.39 -1.97 -3.47 114.58 115.58 1s16 h GLU 2082Ca -0.54 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 58.87 1s16 h GLU 2082Cb 1.61 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 30.14 1s16 h GLU 2082CO -0.25 0.00 -0.27 0.41 -1.16 0.00 0.00 179.01 177.75 1s16 n GLY 2083N 0.94 1.45 3.23 -3.84 0.00 0.31 -4.96 105.19 102.31 1s16 n GLY 2083Ca 0.04 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 1s16 n GLY 2083CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1s16 s VAL 2084N -2.53 0.80 0.28 1.61 -7.23 -1.26 -4.82 120.40 107.24 1s16 s VAL 2084Ca 0.00 -1.99 -0.30 0.00 -1.81 0.00 0.00 61.98 57.88 1s16 s VAL 2084Cb 0.00 -1.98 -0.11 0.00 0.56 0.00 0.00 36.38 34.84 1s16 s VAL 2084CO 0.00 -0.61 1.62 -2.16 -0.31 0.00 0.00 175.10 173.64 1s16 s PRO 2085N -3.86 4.12 0.31 4.82 0.04 -1.26 -0.60 135.00 138.56 1s16 s PRO 2085Ca 0.20 2.59 0.08 0.00 0.04 0.00 0.00 61.00 63.91 1s16 s PRO 2085Cb 0.05 -3.03 0.86 0.00 0.04 0.00 0.00 34.50 32.42 1s16 s PRO 2085CO 0.02 -0.66 1.69 0.00 0.04 0.00 0.00 177.00 178.08 1s16 h ALA 2086N 5.23 1.63 -0.73 8.56 0.00 -1.32 0.13 119.26 132.76 1s16 h ALA 2086Ca -0.46 0.17 0.19 0.00 0.00 0.00 0.00 54.91 54.81 1s16 h ALA 2086Cb 1.22 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 1s16 h ALA 2086CO 0.83 -0.41 0.51 -0.24 0.00 0.00 0.00 179.25 179.94 1s16 h VAL 2087N 0.38 0.70 -0.28 0.00 3.04 -1.58 0.95 116.25 119.46 1s16 h VAL 2087Ca 0.62 -0.06 -0.18 0.00 -1.01 0.00 0.00 66.70 66.08 1s16 h VAL 2087Cb 1.27 0.51 0.00 0.00 -2.01 0.00 0.00 31.29 31.06 1s16 h VAL 2087CO -0.56 0.03 -0.52 -0.33 -1.01 0.00 0.00 177.57 175.18 1s16 h GLU 2088N 0.17 0.86 -0.65 4.17 5.08 -1.06 -2.05 114.58 121.10 1s16 h GLU 2088Ca 0.36 -0.54 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 1s16 h GLU 2088Cb 1.16 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 1s16 h GLU 2088CO -0.06 1.18 0.33 -0.07 -1.00 0.00 0.00 179.01 179.39 1s16 h LEU 2089N 0.64 0.84 -0.37 1.33 4.07 -0.87 -0.65 115.31 120.28 1s16 h LEU 2089Ca 0.02 -0.12 -0.01 0.00 0.08 0.00 0.00 57.88 57.85 1s16 h LEU 2089Cb 1.13 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 42.64 1s16 h LEU 2089CO 0.12 0.71 0.21 0.40 -1.08 0.00 0.00 178.44 178.80 1s16 h ILE 2090N 0.89 1.14 0.00 1.22 2.04 -1.03 -1.99 117.51 119.78 1s16 h ILE 2090Ca 0.23 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1s16 h ILE 2090Cb 0.09 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1s16 h ILE 2090CO -0.03 0.14 -0.58 -0.07 0.00 0.00 0.00 178.15 177.61 1s16 h LEU 2091N 0.48 0.00 -0.63 1.44 4.07 -1.23 -3.33 115.31 116.10 1s16 h LEU 2091Ca 0.13 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1s16 h LEU 2091Cb 0.04 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.78 1s16 h LEU 2091CO -0.02 0.02 -0.14 0.00 -1.08 0.00 0.00 178.44 177.21 1s16 s ARG 2093N -1.07 2.35 0.51 0.00 0.52 -0.75 -4.29 118.95 116.22 1s16 s ARG 2093Ca 0.05 -0.61 -0.21 0.00 -0.52 0.00 0.00 55.73 54.44 1s16 s ARG 2093Cb 0.05 -1.96 -0.06 0.00 0.52 0.00 0.00 34.95 33.49 1s16 s ARG 2093CO 0.17 -0.04 1.17 -0.51 0.02 0.00 0.00 175.30 176.11 1s16 s LEU 2094N 0.91 3.87 -1.33 2.53 1.43 -1.26 -3.38 118.68 121.44 1s16 s LEU 2094Ca -0.08 2.30 -0.05 0.00 -1.03 0.00 0.00 54.13 55.27 1s16 s LEU 2094Cb -0.15 -4.40 0.02 0.00 0.03 0.00 0.00 46.19 41.68 1s16 s LEU 2094CO -0.01 -1.15 0.99 1.41 0.23 0.00 0.00 176.35 177.82 1s16 n HIS 2095N -0.93 -2.36 -3.70 0.29 8.25 0.11 -4.96 115.22 111.92 1s16 n HIS 2095Ca 0.10 0.94 -0.24 0.00 -0.26 0.00 0.00 57.72 58.25 1s16 n HIS 2095Cb 0.49 -4.73 -0.17 0.00 1.12 0.00 0.00 29.99 26.70 1s16 n HIS 2095CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1s16 s ALA 2096N -3.41 0.58 0.05 -1.41 0.00 -0.52 -4.92 121.76 112.12 1s16 s ALA 2096Ca 0.30 -0.21 -0.23 0.00 0.00 0.00 0.00 51.96 51.81 1s16 s ALA 2096Cb -0.14 -0.87 0.08 0.00 0.00 0.00 0.00 23.12 22.19 1s16 s ALA 2096CO 0.77 -0.79 1.08 0.41 0.00 0.00 0.00 175.76 177.23 1s16 n GLY 2097N 5.20 0.40 1.25 0.00 0.00 -1.26 -4.61 105.19 106.16 1s16 n GLY 2097Ca -0.06 -1.06 0.07 0.00 0.00 0.00 0.00 46.02 44.97 1s16 n GLY 2097CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s16 n GLY 2098N -0.77 3.72 0.54 -0.02 0.00 -1.26 -4.52 105.19 102.89 1s16 n GLY 2098Ca 0.02 -1.01 0.06 0.00 0.00 0.00 0.00 46.02 45.09 1s16 n GLY 2098CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s16 n LYS 2099N -0.16 1.57 0.00 1.61 5.02 -1.26 -4.38 118.16 120.56 1s16 n LYS 2099Ca 0.24 -3.16 0.13 0.00 -2.02 0.00 0.00 58.31 53.51 1s16 n LYS 2099Cb 1.01 -1.61 0.45 0.00 -0.02 0.00 0.00 35.03 34.86 1s16 n LYS 2099CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1s16 n PHE 2100N -1.17 0.00 -3.97 2.13 3.72 -1.26 -4.59 117.46 112.31 1s16 n PHE 2100Ca 0.19 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.57 1s16 n PHE 2100Cb 0.71 -0.11 -0.01 0.00 -0.94 0.00 0.00 39.48 39.13 1s16 n PHE 2100CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1s16 n SER 2101N -0.57 -0.11 -0.87 4.37 3.41 -1.26 -5.05 113.62 113.54 1s16 n SER 2101Ca 0.14 -1.28 0.08 0.00 -0.26 0.00 0.00 58.87 57.55 1s16 n SER 2101Cb 0.33 0.24 0.25 0.00 -0.26 0.00 0.00 64.21 64.77 1s16 n SER 2101CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1s16 n ASN 2102N -2.71 3.78 0.09 4.04 4.13 -1.26 -4.65 115.26 118.69 1s16 n ASN 2102Ca 0.01 -2.89 -0.05 0.00 1.68 0.00 0.00 54.58 53.33 1s16 n ASN 2102Cb 0.08 -0.51 0.11 0.00 -1.54 0.00 0.00 39.78 37.92 1s16 n ASN 2102CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 1s16 h LYS 2103N 1.86 0.18 0.00 3.52 1.57 -1.97 -3.36 116.57 118.37 1s16 h LYS 2103Ca 0.00 -0.14 -0.13 0.00 -1.87 0.00 0.00 60.65 58.52 1s16 h LYS 2103Cb 1.36 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.67 1s16 h LYS 2103CO 0.20 0.77 -1.82 0.09 -0.57 0.00 0.00 179.45 178.11 1s16 n ASN 2104N -3.82 1.56 -3.72 0.86 5.03 -1.26 -4.97 115.26 108.93 1s16 n ASN 2104Ca -0.02 0.00 -0.14 0.00 0.87 0.00 0.00 54.58 55.28 1s16 n ASN 2104Cb 0.65 1.27 -0.15 0.00 -1.02 0.00 0.00 39.78 40.53 1s16 n ASN 2104CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1s16 s TYR 2105N -2.69 -0.19 0.00 3.10 1.51 -1.26 -5.02 117.35 112.80 1s16 s TYR 2105Ca -0.06 0.57 -0.23 0.00 -1.01 0.00 0.00 57.07 56.34 1s16 s TYR 2105Cb 0.07 -0.11 -0.13 0.00 -0.11 0.00 0.00 41.96 41.68 1s16 s TYR 2105CO 0.60 -0.21 0.98 0.37 -1.11 0.00 0.00 175.55 176.18 1s16 h GLN 2106N 7.57 -0.79 -4.55 -0.62 -0.00 -1.94 -3.42 115.11 111.37 1s16 h GLN 2106Ca -0.34 0.05 -0.62 0.00 -0.00 0.00 0.00 58.65 57.74 1s16 h GLN 2106Cb 1.13 0.18 -0.37 0.00 0.00 0.00 0.00 27.48 28.42 1s16 h GLN 2106CO 0.34 -0.53 -0.80 -0.06 0.00 0.00 0.00 178.83 177.78 1s16 s PHE 2107N -4.25 2.57 0.03 3.99 0.08 -1.26 -4.49 117.98 114.63 1s16 s PHE 2107Ca -0.12 -1.79 0.04 0.00 0.12 0.00 0.00 56.93 55.18 1s16 s PHE 2107Cb 0.01 -1.67 -0.02 0.00 -0.57 0.00 0.00 43.02 40.77 1s16 s PHE 2107CO 0.36 -0.78 -0.12 -1.54 -0.10 0.00 0.00 175.22 173.04 1s16 s SER 2108N 1.34 1.41 0.29 1.36 1.04 -1.26 -4.73 113.70 113.15 1s16 s SER 2108Ca -0.04 -0.39 0.09 0.00 0.48 0.00 0.00 55.95 56.09 1s16 s SER 2108Cb -0.18 -0.10 0.42 0.00 0.10 0.00 0.00 66.02 66.26 1s16 s SER 2108CO -0.07 0.03 1.66 1.23 0.98 0.00 0.00 173.24 177.07 1s16 h GLY 2109N 5.16 0.11 -1.82 7.32 0.00 -1.85 -3.44 103.07 108.55 1s16 h GLY 2109Ca -0.36 -0.12 -0.48 0.00 0.00 0.00 0.00 47.33 46.37 1s16 h GLY 2109CO 0.45 0.11 0.38 -0.32 0.00 0.00 0.00 176.54 177.16 1s16 s GLY 2110N -4.36 2.20 0.00 4.60 0.00 -1.26 -4.91 107.32 103.60 1s16 s GLY 2110Ca -0.03 0.38 0.00 0.00 0.00 0.00 0.00 44.72 45.07 1s16 s GLY 2110CO 0.77 0.68 0.00 1.47 0.00 0.00 0.00 173.10 176.02 1s16 n LEU 2111N -1.60 0.00 0.02 0.66 -0.00 -1.26 -4.89 117.00 109.93 1s16 n LEU 2111Ca 0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 56.01 56.09 1s16 n LEU 2111Cb 0.53 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.86 1s16 n LEU 2111CO 0.45 0.00 -0.37 1.41 -0.00 0.00 0.00 177.39 178.88 1s16 n HIS 2112N 0.00 0.88 -1.99 1.47 8.25 -1.26 -4.63 115.22 117.95 1s16 n HIS 2112Ca 0.00 0.30 -0.07 0.00 -0.26 0.00 0.00 57.72 57.69 1s16 n HIS 2112Cb 0.00 -1.06 -0.01 0.00 1.12 0.00 0.00 29.99 30.04 1s16 n HIS 2112CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1s16 n GLY 2113N 1.41 0.21 0.01 -1.41 0.00 -1.26 -3.88 105.19 100.28 1s16 n GLY 2113Ca -0.11 -0.62 -0.01 0.00 0.00 0.00 0.00 46.02 45.28 1s16 n GLY 2113CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1s16 n VAL 2114N -3.82 0.11 0.00 1.61 0.31 -1.26 0.07 118.33 115.35 1s16 n VAL 2114Ca -0.08 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1s16 n VAL 2114Cb 0.51 -0.59 0.00 0.00 -0.91 0.00 0.00 33.84 32.85 1s16 n VAL 2114CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1s16 n GLY 2115N 3.38 -2.46 0.27 2.92 0.00 -1.26 -1.25 105.19 106.79 1s16 n GLY 2115Ca -0.03 0.48 0.03 0.00 0.00 0.00 0.00 46.02 46.49 1s16 n GLY 2115CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1s16 h ILE 2116N 0.00 1.14 -0.09 -0.61 6.09 -1.86 -1.59 117.51 120.58 1s16 h ILE 2116Ca 0.00 -0.49 -0.08 0.00 -1.37 0.00 0.00 64.86 62.92 1s16 h ILE 2116Cb 0.00 0.89 -0.01 0.00 0.47 0.00 0.00 36.82 38.17 1s16 h ILE 2116CO 0.00 0.17 -0.31 0.77 -3.07 0.00 0.00 178.15 175.71 1s16 h SER 2117N 0.37 0.17 -0.42 2.19 4.64 -1.52 -1.84 113.55 117.14 1s16 h SER 2117Ca 0.09 -0.06 -0.15 0.00 -0.47 0.00 0.00 61.79 61.20 1s16 h SER 2117Cb 0.17 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1s16 h SER 2117CO -0.00 0.48 -0.33 0.58 -0.87 0.00 0.00 176.83 176.70 1s16 h VAL 2118N 0.15 1.27 -0.89 0.95 2.07 -0.20 -0.83 116.25 118.77 1s16 h VAL 2118Ca 0.02 -1.50 0.01 0.00 0.82 0.00 0.00 66.70 66.05 1s16 h VAL 2118Cb 0.63 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 1s16 h VAL 2118CO 0.05 0.51 0.58 0.58 0.02 0.00 0.00 177.57 179.31 1s16 h VAL 2119N 0.80 1.23 -0.19 2.57 2.07 -1.01 -1.43 116.25 120.30 1s16 h VAL 2119Ca 0.08 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1s16 h VAL 2119Cb 0.92 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1s16 h VAL 2119CO 0.09 0.22 0.04 -1.13 0.02 0.00 0.00 177.57 176.81 1s16 h ASN 2120N 1.21 0.30 0.03 0.57 -1.24 -1.14 -2.62 115.58 112.69 1s16 h ASN 2120Ca 0.32 -0.25 -0.02 0.00 0.71 0.00 0.00 56.30 57.06 1s16 h ASN 2120Cb -0.13 -0.08 -0.00 0.00 0.73 0.00 0.00 38.32 38.84 1s16 h ASN 2120CO -0.07 0.47 -0.06 0.00 -1.29 0.00 0.00 177.43 176.48 1s16 h ALA 2121N 0.84 1.81 -0.61 1.57 0.00 -0.77 -2.77 119.26 119.33 1s16 h ALA 2121Ca 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1s16 h ALA 2121Cb 0.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1s16 h ALA 2121CO 0.00 0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.68 1s16 n LEU 2122N -4.43 4.09 -4.49 0.00 4.32 -0.57 -4.60 117.00 111.33 1s16 n LEU 2122Ca -0.02 -2.22 -0.32 0.00 -0.02 0.00 0.00 56.01 53.42 1s16 n LEU 2122Cb 0.16 -0.48 -0.13 0.00 -1.62 0.00 0.00 43.42 41.35 1s16 n LEU 2122CO 0.35 0.86 -0.45 -0.44 -1.22 0.00 0.00 177.39 176.50 1s16 s SER 2123N -1.02 4.06 0.41 -1.43 0.01 -0.99 -0.67 113.70 114.06 1s16 s SER 2123Ca 0.45 -0.24 0.17 0.00 1.31 0.00 0.00 55.95 57.65 1s16 s SER 2123Cb 0.27 -0.82 0.88 0.00 0.21 0.00 0.00 66.02 66.55 1s16 s SER 2123CO 0.26 0.32 1.86 0.11 0.41 0.00 0.00 173.24 176.19 1s16 h LYS 2124N 5.04 0.00 -2.09 12.44 1.57 -0.40 -2.08 116.57 131.06 1s16 h LYS 2124Ca -0.47 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.25 1s16 h LYS 2124Cb 1.15 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.27 1s16 h LYS 2124CO 0.50 0.31 0.13 0.50 -0.57 0.00 0.00 179.45 180.32 1s16 s ARG 2125N -4.05 0.95 -0.04 3.15 3.52 -1.22 -2.51 118.95 118.75 1s16 s ARG 2125Ca -0.02 0.47 -0.02 0.00 -0.13 0.00 0.00 55.73 56.03 1s16 s ARG 2125Cb 0.13 0.45 0.03 0.00 -1.56 0.00 0.00 34.95 34.00 1s16 s ARG 2125CO 0.68 -0.24 0.09 0.08 -0.81 0.00 0.00 175.30 175.10 1s16 s VAL 2126N -0.67 -0.05 -0.11 7.11 1.01 0.23 -0.83 120.40 127.09 1s16 s VAL 2126Ca -0.07 0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.10 1s16 s VAL 2126Cb -0.02 -0.15 0.01 0.00 0.00 0.00 0.00 36.38 36.22 1s16 s VAL 2126CO 0.07 0.07 -0.20 -1.61 0.00 0.00 0.00 175.10 173.42 1s16 s GLU 2127N 0.96 2.72 -0.08 2.72 2.02 0.30 -0.12 118.70 127.23 1s16 s GLU 2127Ca -0.08 -0.76 0.04 0.00 0.02 0.00 0.00 54.97 54.20 1s16 s GLU 2127Cb -0.10 -2.15 -0.00 0.00 0.10 0.00 0.00 34.13 31.98 1s16 s GLU 2127CO -0.04 0.06 -0.22 0.08 0.02 0.00 0.00 175.26 175.16 1s16 s VAL 2128N 0.63 1.88 -0.06 2.63 1.01 -0.22 -0.86 120.40 125.41 1s16 s VAL 2128Ca -0.13 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 60.95 1s16 s VAL 2128Cb -0.16 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.61 1s16 s VAL 2128CO 0.03 0.52 -0.14 0.20 0.00 0.00 0.00 175.10 175.71 1s16 s ASN 2129N 0.21 1.93 -0.02 3.32 0.01 -0.26 -1.54 114.94 118.60 1s16 s ASN 2129Ca -0.13 -0.33 0.05 0.00 -0.71 0.00 0.00 52.86 51.75 1s16 s ASN 2129Cb -0.16 -0.79 -0.01 0.00 0.41 0.00 0.00 41.25 40.70 1s16 s ASN 2129CO 0.06 0.07 -0.17 -0.69 -1.51 0.00 0.00 177.10 174.86 1s16 s VAL 2130N 0.47 1.39 -0.33 1.60 1.01 -0.01 -0.77 120.40 123.76 1s16 s VAL 2130Ca -0.12 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.06 1s16 s VAL 2130Cb -0.15 -1.16 0.04 0.00 0.00 0.00 0.00 36.38 35.11 1s16 s VAL 2130CO 0.04 0.39 0.09 -0.13 0.00 0.00 0.00 175.10 175.49 1s16 s ARG 2131N -0.33 2.64 -0.01 2.72 0.52 -0.23 -0.33 118.95 123.92 1s16 s ARG 2131Ca 0.05 -1.16 -0.15 0.00 -0.52 0.00 0.00 55.73 53.94 1s16 s ARG 2131Cb -0.08 -3.42 0.02 0.00 0.52 0.00 0.00 34.95 32.00 1s16 s ARG 2131CO -0.00 -0.64 0.32 1.03 0.02 0.00 0.00 175.30 176.03 1s16 s ARG 2132N 1.39 0.70 -1.40 3.54 1.81 -0.90 -2.27 118.95 121.83 1s16 s ARG 2132Ca -0.02 -0.22 0.00 0.00 -1.72 0.00 0.00 55.73 53.77 1s16 s ARG 2132Cb -0.19 0.31 0.00 0.00 -0.45 0.00 0.00 34.95 34.62 1s16 s ARG 2132CO 0.02 -0.20 0.00 -0.25 -0.68 0.00 0.00 175.30 174.19 1s16 n ASP 2133N 1.15 -4.78 -0.40 0.23 9.92 -1.26 -1.09 116.55 120.32 1s16 n ASP 2133Ca -0.21 0.12 -0.05 0.00 -0.53 0.00 0.00 54.79 54.11 1s16 n ASP 2133Cb 0.57 -4.04 -0.02 0.00 -0.64 0.00 0.00 41.12 36.99 1s16 n ASP 2133CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1s16 n GLY 2134N -0.87 0.73 3.32 0.44 0.00 -1.26 -4.91 105.19 102.64 1s16 n GLY 2134Ca -0.19 -0.31 -0.18 0.00 0.00 0.00 0.00 46.02 45.34 1s16 n GLY 2134CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s16 s GLN 2135N -1.93 1.26 -0.27 1.61 -0.21 -0.25 -1.12 119.66 118.74 1s16 s GLN 2135Ca 0.00 -1.51 -0.04 0.00 0.02 0.00 0.00 55.36 53.83 1s16 s GLN 2135Cb 0.00 -1.07 0.02 0.00 1.00 0.00 0.00 33.01 32.96 1s16 s GLN 2135CO 0.00 0.18 -0.00 0.08 -2.12 0.00 0.00 175.29 173.43 1s16 s VAL 2136N -2.79 3.36 0.03 1.09 1.01 0.24 -2.11 120.40 121.24 1s16 s VAL 2136Ca 0.19 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 1s16 s VAL 2136Cb -0.02 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 1s16 s VAL 2136CO 0.06 0.16 0.20 -0.31 0.00 0.00 0.00 175.10 175.20 1s16 s TYR 2137N 1.41 3.52 -0.00 5.22 1.51 0.55 -0.31 117.35 129.25 1s16 s TYR 2137Ca 0.01 0.29 0.03 0.00 -1.01 0.00 0.00 57.07 56.39 1s16 s TYR 2137Cb -0.17 -1.78 -0.01 0.00 -0.11 0.00 0.00 41.96 39.89 1s16 s TYR 2137CO -0.01 0.61 -0.09 1.21 -1.11 0.00 0.00 175.55 176.16 1s16 s ASN 2138N -2.27 1.04 -0.14 2.29 2.47 0.45 -0.83 114.94 117.95 1s16 s ASN 2138Ca 0.32 -0.20 -0.11 0.00 0.42 0.00 0.00 52.86 53.28 1s16 s ASN 2138Cb -0.13 -0.10 0.04 0.00 -1.45 0.00 0.00 41.25 39.61 1s16 s ASN 2138CO 0.24 0.08 0.36 -0.51 -3.72 0.00 0.00 177.10 173.55 1s16 s ILE 2139N -0.32 -0.01 0.10 -5.21 2.07 -0.59 -1.15 121.20 116.09 1s16 s ILE 2139Ca 0.02 0.03 0.05 0.00 -1.41 0.00 0.00 60.65 59.35 1s16 s ILE 2139Cb -0.04 -0.52 -0.03 0.00 0.13 0.00 0.00 42.46 42.00 1s16 s ILE 2139CO -0.00 0.01 -0.13 0.00 -1.91 0.00 0.00 174.94 172.91 1s16 s ALA 2140N 0.55 1.32 0.10 1.50 0.00 -1.08 -1.05 121.76 123.10 1s16 s ALA 2140Ca -0.03 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 50.76 1s16 s ALA 2140Cb -0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 1s16 s ALA 2140CO -0.03 0.09 -0.07 -0.06 0.00 0.00 0.00 175.76 175.69 1s16 s PHE 2141N -1.95 0.90 -0.06 0.00 0.40 0.83 -1.38 117.98 116.72 1s16 s PHE 2141Ca 0.05 -0.90 -0.02 0.00 -0.60 0.00 0.00 56.93 55.46 1s16 s PHE 2141Cb -0.06 -0.52 0.04 0.00 0.51 0.00 0.00 43.02 42.99 1s16 s PHE 2141CO 0.02 -0.14 0.11 -1.21 0.70 0.00 0.00 175.22 174.70 1s16 s GLU 2142N -3.76 0.02 -1.67 0.44 2.02 0.45 -0.60 118.70 115.60 1s16 s GLU 2142Ca 0.11 0.38 0.00 0.00 0.02 0.00 0.00 54.97 55.48 1s16 s GLU 2142Cb 0.05 -0.27 0.00 0.00 0.10 0.00 0.00 34.13 34.01 1s16 s GLU 2142CO -0.04 -0.23 0.00 0.09 0.02 0.00 0.00 175.26 175.10 1s16 n ASN 2143N 4.65 -4.85 0.00 -0.19 3.02 -0.78 -0.65 115.26 116.45 1s16 n ASN 2143Ca -0.18 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 1s16 n ASN 2143Cb 0.51 -4.21 0.00 0.00 -0.61 0.00 0.00 39.78 35.47 1s16 n ASN 2143CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s16 n GLY 2144N -0.63 1.66 3.75 7.41 0.00 -1.17 -4.86 105.19 111.36 1s16 n GLY 2144Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 1s16 n GLY 2144CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s16 s GLU 2145N -0.75 4.16 0.09 1.61 0.41 0.17 -4.90 118.70 119.49 1s16 s GLU 2145Ca 0.00 0.14 -0.31 0.00 -0.41 0.00 0.00 54.97 54.39 1s16 s GLU 2145Cb 0.00 -3.39 -0.09 0.00 -1.78 0.00 0.00 34.13 28.88 1s16 s GLU 2145CO 0.00 0.32 1.63 0.21 -0.49 0.00 0.00 175.26 176.94 1s16 s LYS 2146N 0.19 4.20 0.00 1.61 2.20 -1.26 -0.41 119.74 126.27 1s16 s LYS 2146Ca 0.18 2.33 0.03 0.00 -0.36 0.00 0.00 55.97 58.15 1s16 s LYS 2146Cb -0.13 -3.51 -0.01 0.00 -1.51 0.00 0.00 37.83 32.66 1s16 s LYS 2146CO 0.05 -0.71 0.26 1.33 -0.36 0.00 0.00 175.35 175.93 1s16 n VAL 2147N 4.58 0.00 -3.60 4.02 0.24 -0.48 -4.90 118.33 118.19 1s16 n VAL 2147Ca 0.15 -0.46 -0.16 0.00 -2.04 0.00 0.00 64.34 61.84 1s16 n VAL 2147Cb 0.40 1.02 -0.14 0.00 -1.47 0.00 0.00 33.84 33.66 1s16 n VAL 2147CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1s16 s GLN 2148N -0.94 0.14 0.73 7.34 2.00 -1.07 -4.97 119.66 122.88 1s16 s GLN 2148Ca 0.02 0.53 -0.13 0.00 -2.00 0.00 0.00 55.36 53.79 1s16 s GLN 2148Cb 0.02 -0.46 0.04 0.00 0.80 0.00 0.00 33.01 33.41 1s16 s GLN 2148CO 0.09 -0.41 1.11 -0.51 -0.50 0.00 0.00 175.29 175.07 1s16 s ASP 2149N 2.36 4.63 -0.01 6.67 1.11 -1.26 -2.62 116.67 127.55 1s16 s ASP 2149Ca 0.04 1.95 -0.36 0.00 0.18 0.00 0.00 52.55 54.35 1s16 s ASP 2149Cb -0.13 -2.54 -0.15 0.00 1.07 0.00 0.00 42.92 41.17 1s16 s ASP 2149CO -0.09 -1.96 1.59 -0.11 1.18 0.00 0.00 175.17 175.78 1s16 n LEU 2150N -3.07 2.48 -3.91 1.23 7.94 -1.26 -4.64 117.00 115.77 1s16 n LEU 2150Ca 0.10 1.07 -0.10 0.00 -1.11 0.00 0.00 56.01 55.97 1s16 n LEU 2150Cb 0.52 -1.27 -0.11 0.00 0.53 0.00 0.00 43.42 43.10 1s16 n LEU 2150CO 0.50 -0.55 -0.26 0.00 -1.11 0.00 0.00 177.39 175.98 1s16 s GLN 2151N 1.94 0.38 -0.25 1.96 -2.07 -0.30 -4.95 119.66 116.36 1s16 s GLN 2151Ca 0.88 -0.44 -0.22 0.00 -1.82 0.00 0.00 55.36 53.76 1s16 s GLN 2151Cb -0.87 0.15 -0.01 0.00 -1.09 0.00 0.00 33.01 31.19 1s16 s GLN 2151CO 0.50 -0.08 0.73 0.08 -1.32 0.00 0.00 175.29 175.20 1s16 s VAL 2152N -1.28 4.91 -0.66 3.63 1.01 -1.26 -0.41 120.40 126.33 1s16 s VAL 2152Ca -0.14 1.34 0.07 0.00 0.00 0.00 0.00 61.98 63.25 1s16 s VAL 2152Cb -0.08 -4.03 0.19 0.00 0.00 0.00 0.00 36.38 32.46 1s16 s VAL 2152CO 0.00 -0.03 1.12 1.33 0.00 0.00 0.00 175.10 177.53 1s16 n VAL 2153N 5.24 0.89 0.00 2.92 0.24 0.58 -4.98 118.33 123.22 1s16 n VAL 2153Ca 0.02 -0.94 0.00 0.00 -2.04 0.00 0.00 64.34 61.38 1s16 n VAL 2153Cb 0.48 0.57 0.00 0.00 -1.47 0.00 0.00 33.84 33.43 1s16 n VAL 2153CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1s16 n GLY 2154N 0.21 -0.57 3.31 7.63 0.00 -1.22 -4.96 105.19 109.58 1s16 n GLY 2154Ca 0.07 -1.14 -0.17 0.00 0.00 0.00 0.00 46.02 44.79 1s16 n GLY 2154CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s16 s THR 2155N -2.00 1.53 0.34 2.61 -4.23 -1.26 -0.59 115.64 112.04 1s16 s THR 2155Ca 0.00 -2.15 -0.12 0.00 -1.18 0.00 0.00 61.69 58.25 1s16 s THR 2155Cb 0.00 -1.96 0.03 0.00 1.34 0.00 0.00 72.50 71.90 1s16 s THR 2155CO 0.00 -0.64 0.64 0.00 -0.54 0.00 0.00 174.62 174.07 1s16 s GLY 2157N -3.10 2.86 0.49 0.00 0.00 -1.26 -4.42 107.32 101.88 1s16 s GLY 2157Ca 0.21 1.16 0.15 0.00 0.00 0.00 0.00 44.72 46.23 1s16 s GLY 2157CO 0.13 1.67 2.10 0.50 0.00 0.00 0.00 173.10 177.51 1s16 h LYS 2158N 2.02 0.14 0.00 2.90 1.57 -1.91 -0.31 116.57 120.98 1s16 h LYS 2158Ca -0.50 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1s16 h LYS 2158Cb 1.27 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1s16 h LYS 2158CO 0.60 0.09 0.00 0.54 -0.57 0.00 0.00 179.45 180.11 1s16 n ARG 2159N -4.50 0.03 -3.10 3.15 1.74 -1.26 -4.42 116.66 108.29 1s16 n ARG 2159Ca 0.01 0.03 -0.44 0.00 -0.77 0.00 0.00 57.85 56.68 1s16 n ARG 2159Cb 0.16 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.04 1s16 n ARG 2159CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1s16 s ASN 2160N -2.97 6.20 0.31 0.55 0.01 -0.13 -5.03 114.94 113.88 1s16 s ASN 2160Ca 0.14 -1.16 0.08 0.00 -0.71 0.00 0.00 52.86 51.21 1s16 s ASN 2160Cb 0.18 -2.31 -0.06 0.00 0.41 0.00 0.00 41.25 39.47 1s16 s ASN 2160CO 0.49 -1.05 -0.08 0.42 -1.51 0.00 0.00 177.10 175.37 1s16 s THR 2161N 2.79 1.95 0.00 1.60 -4.23 -1.26 -4.51 115.64 111.98 1s16 s THR 2161Ca 0.14 -2.17 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 1s16 s THR 2161Cb -0.21 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.10 1s16 s THR 2161CO 0.09 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.52 1s16 n GLY 2162N -0.68 -0.54 3.05 3.99 0.00 -0.80 -3.80 105.19 106.42 1s16 n GLY 2162Ca -0.05 -1.43 -0.15 0.00 0.00 0.00 0.00 46.02 44.38 1s16 n GLY 2162CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s16 s THR 2163N -1.83 0.63 -0.05 2.61 2.01 -1.01 -1.07 115.64 116.93 1s16 s THR 2163Ca 0.00 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.15 1s16 s THR 2163Cb 0.00 -0.63 0.02 0.00 0.01 0.00 0.00 72.50 71.90 1s16 s THR 2163CO 0.00 -0.18 -0.04 -0.55 -0.69 0.00 0.00 174.62 173.16 1s16 s SER 2164N -1.14 1.14 -0.11 3.53 0.15 0.05 -1.36 113.70 115.95 1s16 s SER 2164Ca -0.05 -0.13 0.02 0.00 0.70 0.00 0.00 55.95 56.49 1s16 s SER 2164Cb -0.08 -0.47 0.01 0.00 -1.71 0.00 0.00 66.02 63.77 1s16 s SER 2164CO 0.00 -0.08 -0.16 -0.69 1.20 0.00 0.00 173.24 173.52 1s16 s VAL 2165N 1.14 1.54 -0.19 4.45 1.01 -0.37 -1.10 120.40 126.88 1s16 s VAL 2165Ca -0.08 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1s16 s VAL 2165Cb -0.14 -1.40 0.04 0.00 0.00 0.00 0.00 36.38 34.88 1s16 s VAL 2165CO -0.01 0.45 -0.09 -2.28 0.00 0.00 0.00 175.10 173.17 1s16 s HIS 2166N 0.99 2.23 0.10 5.22 5.04 -0.04 -0.69 115.29 128.14 1s16 s HIS 2166Ca -0.06 -1.45 0.07 0.00 -1.54 0.00 0.00 55.06 52.08 1s16 s HIS 2166Cb -0.15 -1.56 -0.03 0.00 0.04 0.00 0.00 32.58 30.88 1s16 s HIS 2166CO -0.02 -0.71 -0.18 -0.59 -2.34 0.00 0.00 174.74 170.90 1s16 s PHE 2167N 1.46 1.60 -0.41 3.88 -0.71 -0.23 -0.53 117.98 123.03 1s16 s PHE 2167Ca -0.00 -0.44 -0.01 0.00 -1.04 0.00 0.00 56.93 55.44 1s16 s PHE 2167Cb -0.16 -0.88 0.11 0.00 -1.21 0.00 0.00 43.02 40.89 1s16 s PHE 2167CO -0.08 0.16 0.19 -1.58 -1.34 0.00 0.00 175.22 172.57 1s16 s TRP 2168N -1.28 3.60 0.38 3.49 0.51 -0.01 -1.61 118.94 124.03 1s16 s TRP 2168Ca 0.04 -2.64 -0.27 0.00 -2.12 0.00 0.00 56.10 51.11 1s16 s TRP 2168Cb -0.10 -3.13 -0.11 0.00 -0.81 0.00 0.00 33.47 29.33 1s16 s TRP 2168CO 0.04 -0.94 1.30 -2.30 -0.51 0.00 0.00 176.95 174.53 1s16 n PRO 2169N 4.33 2.09 -2.80 4.98 -0.02 -1.26 0.29 135.00 142.62 1s16 n PRO 2169Ca 0.01 0.74 -0.43 0.00 -2.02 0.00 0.00 63.50 61.80 1s16 n PRO 2169Cb 0.41 -2.39 -0.04 0.00 -0.02 0.00 0.00 33.50 31.46 1s16 n PRO 2169CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1s16 s ASP 2170N -0.40 6.32 0.63 2.55 -1.08 0.15 -4.50 116.67 120.35 1s16 s ASP 2170Ca 0.58 -0.38 0.26 0.00 -0.52 0.00 0.00 52.55 52.48 1s16 s ASP 2170Cb -0.53 -2.45 1.31 0.00 -1.46 0.00 0.00 42.92 39.78 1s16 s ASP 2170CO 0.60 -1.31 1.74 1.05 0.52 0.00 0.00 175.17 177.77 1s16 h GLU 2171N 9.41 0.00 0.00 4.34 9.09 -1.91 -1.80 114.58 133.70 1s16 h GLU 2171Ca -0.26 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.15 1s16 h GLU 2171Cb 1.07 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.17 1s16 h GLU 2171CO 1.12 0.00 0.00 0.25 0.05 0.00 0.00 179.01 180.43 1s16 n THR 2172N -3.20 1.06 0.88 -1.06 -2.24 -1.26 -2.08 114.28 106.37 1s16 n THR 2172Ca 0.05 0.29 0.11 0.00 -2.27 0.00 0.00 64.05 62.23 1s16 n THR 2172Cb 0.68 -1.13 0.01 0.00 -2.10 0.00 0.00 70.33 67.79 1s16 n THR 2172CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1s16 n PHE 2173N -1.73 0.05 -4.36 4.78 3.72 -0.68 -4.98 117.46 114.26 1s16 n PHE 2173Ca 0.03 0.01 -0.26 0.00 -0.05 0.00 0.00 57.45 57.18 1s16 n PHE 2173Cb 0.16 -0.17 -0.10 0.00 -0.94 0.00 0.00 39.48 38.43 1s16 n PHE 2173CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 1s16 s PHE 2174N -3.06 2.49 0.13 1.38 0.08 -0.89 -4.80 117.98 113.31 1s16 s PHE 2174Ca 0.07 -0.28 -0.14 0.00 0.12 0.00 0.00 56.93 56.70 1s16 s PHE 2174Cb 0.16 -1.17 -0.01 0.00 -0.57 0.00 0.00 43.02 41.43 1s16 s PHE 2174CO 0.81 0.57 1.58 -0.44 -0.10 0.00 0.00 175.22 177.64 1s16 h ASP 2175N 2.67 0.72 -3.63 1.36 5.19 -0.92 -3.43 116.42 118.37 1s16 h ASP 2175Ca -0.45 -0.30 -0.31 0.00 -0.62 0.00 0.00 57.03 55.35 1s16 h ASP 2175Cb 1.23 -0.19 -0.32 0.00 0.18 0.00 0.00 39.33 40.23 1s16 h ASP 2175CO 0.55 0.85 -0.74 -0.55 -3.12 0.00 0.00 179.24 176.22 1s16 s SER 2176N -6.22 0.35 0.01 6.45 0.15 -0.87 -5.04 113.70 108.52 1s16 s SER 2176Ca -0.13 -0.03 0.29 0.00 0.70 0.00 0.00 55.95 56.77 1s16 s SER 2176Cb 0.10 -0.14 1.16 0.00 -1.71 0.00 0.00 66.02 65.44 1s16 s SER 2176CO 0.80 -0.05 1.88 -0.81 1.20 0.00 0.00 173.24 176.26 1s16 n PRO 2177N 3.66 0.01 -2.93 5.44 -0.04 -1.26 -4.11 135.00 135.77 1s16 n PRO 2177Ca -0.21 0.01 -0.40 0.00 -0.04 0.00 0.00 63.50 62.86 1s16 n PRO 2177Cb 0.54 -1.51 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 1s16 n PRO 2177CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1s16 s ARG 2178N -3.00 4.64 0.20 0.54 1.70 -1.26 -4.69 118.95 117.07 1s16 s ARG 2178Ca 0.14 1.24 -0.30 0.00 -0.47 0.00 0.00 55.73 56.33 1s16 s ARG 2178Cb 0.19 -3.27 -0.08 0.00 -0.57 0.00 0.00 34.95 31.22 1s16 s ARG 2178CO 0.55 0.56 1.02 -0.06 -1.08 0.00 0.00 175.30 176.29 1s16 s PHE 2179N -1.16 3.75 -0.40 5.89 0.40 -1.26 -4.51 117.98 120.70 1s16 s PHE 2179Ca 0.37 1.75 -0.29 0.00 -0.60 0.00 0.00 56.93 58.16 1s16 s PHE 2179Cb -0.24 -3.15 0.02 0.00 0.51 0.00 0.00 43.02 40.17 1s16 s PHE 2179CO 0.28 -0.12 1.18 0.45 0.70 0.00 0.00 175.22 177.71 1s16 s SER 2180N -0.53 6.68 0.16 1.36 0.15 -1.26 -4.91 113.70 115.36 1s16 s SER 2180Ca 0.46 0.79 -0.13 0.00 0.70 0.00 0.00 55.95 57.77 1s16 s SER 2180Cb -0.28 -2.55 0.05 0.00 -1.71 0.00 0.00 66.02 61.54 1s16 s SER 2180CO 0.34 -1.15 1.69 0.58 1.20 0.00 0.00 173.24 175.91 1s16 h VAL 2181N 6.08 1.23 -0.78 4.45 2.07 -1.99 -1.49 116.25 125.82 1s16 h VAL 2181Ca -0.23 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.51 1s16 h VAL 2181Cb 1.07 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 1s16 h VAL 2181CO 1.08 0.28 0.43 0.77 0.02 0.00 0.00 177.57 180.15 1s16 h SER 2182N 0.74 0.96 -0.25 0.57 4.64 -2.00 -1.43 113.55 116.78 1s16 h SER 2182Ca 0.17 -0.08 -0.17 0.00 -0.47 0.00 0.00 61.79 61.25 1s16 h SER 2182Cb 0.26 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1s16 h SER 2182CO -0.01 0.77 -0.48 0.03 -0.87 0.00 0.00 176.83 176.27 1s16 h ARG 2183N 1.09 0.83 -0.01 4.77 3.08 -1.92 -1.91 114.38 120.31 1s16 h ARG 2183Ca 0.28 -0.48 -0.00 0.00 0.07 0.00 0.00 59.98 59.84 1s16 h ARG 2183Cb 0.02 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 1s16 h ARG 2183CO -0.04 1.12 0.00 -0.07 -1.07 0.00 0.00 179.97 179.91 1s16 h LEU 2184N 0.65 0.01 -0.98 3.04 3.38 -0.91 -1.59 115.31 118.91 1s16 h LEU 2184Ca 0.03 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1s16 h LEU 2184Cb 1.07 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1s16 h LEU 2184CO 0.11 0.14 0.06 0.71 0.09 0.00 0.00 178.44 179.55 1s16 h THR 2185N -0.12 1.23 0.01 0.22 1.35 -1.29 -0.68 112.91 113.64 1s16 h THR 2185Ca 0.00 -0.91 -0.00 0.00 -0.55 0.00 0.00 66.41 64.96 1s16 h THR 2185Cb 0.13 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 67.33 1s16 h THR 2185CO -0.00 0.33 -0.01 -0.74 -0.25 0.00 0.00 175.52 174.85 1s16 h HIS 2186N 0.77 -0.02 -0.27 4.73 -0.00 -1.23 -0.07 115.15 119.06 1s16 h HIS 2186Ca 0.16 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.53 1s16 h HIS 2186Cb 0.37 0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.77 1s16 h HIS 2186CO 0.02 0.04 0.18 0.28 -0.00 0.00 0.00 177.93 178.44 1s16 h VAL 2187N -0.07 1.08 -0.64 5.26 2.07 -1.01 -2.59 116.25 120.35 1s16 h VAL 2187Ca -0.00 -0.16 -0.09 0.00 0.82 0.00 0.00 66.70 67.27 1s16 h VAL 2187Cb 0.06 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1s16 h VAL 2187CO 0.00 0.08 0.05 -0.07 0.02 0.00 0.00 177.57 177.65 1s16 h LEU 2188N 0.36 1.07 -0.97 2.57 3.38 -0.98 -2.56 115.31 118.19 1s16 h LEU 2188Ca 0.10 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1s16 h LEU 2188Cb -0.03 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 1s16 h LEU 2188CO -0.02 1.09 0.31 0.50 0.09 0.00 0.00 178.44 180.41 1s16 h LYS 2189N 1.02 1.06 -0.47 1.13 3.64 -0.96 -2.26 116.57 119.72 1s16 h LYS 2189Ca 0.19 -0.17 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 1s16 h LYS 2189Cb 0.51 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 1s16 h LYS 2189CO 0.02 0.84 0.14 0.00 -2.27 0.00 0.00 179.45 178.19 1s16 h ALA 2190N 1.30 1.36 -0.69 5.00 0.00 -1.15 -1.54 119.26 123.54 1s16 h ALA 2190Ca 0.25 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1s16 h ALA 2190Cb 0.16 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1s16 h ALA 2190CO -0.03 0.46 0.37 0.87 0.00 0.00 0.00 179.25 180.93 1s16 h LYS 2191N 0.69 0.97 -0.57 0.00 1.79 -1.02 0.16 116.57 118.59 1s16 h LYS 2191Ca 0.16 -0.12 -0.03 0.00 -2.18 0.00 0.00 60.65 58.47 1s16 h LYS 2191Cb 0.21 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 30.65 1s16 h LYS 2191CO -0.01 0.74 0.22 0.00 -1.08 0.00 0.00 179.45 179.32 1s16 h ALA 2192N 1.18 0.74 -0.29 3.86 0.00 -1.25 -0.51 119.26 122.99 1s16 h ALA 2192Ca 0.24 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1s16 h ALA 2192Cb 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1s16 h ALA 2192CO -0.04 0.36 0.07 0.28 0.00 0.00 0.00 179.25 179.92 1s16 h VAL 2193N 0.78 1.21 0.00 0.00 2.07 -0.85 -3.23 116.25 116.23 1s16 h VAL 2193Ca 0.19 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1s16 h VAL 2193Cb 0.21 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1s16 h VAL 2193CO -0.01 0.23 -0.01 0.18 0.02 0.00 0.00 177.57 177.97 1s16 n LEU 2194N -4.69 0.44 -3.46 2.57 4.77 0.00 -4.14 117.00 112.50 1s16 n LEU 2194Ca -0.02 0.53 -0.26 0.00 -0.03 0.00 0.00 56.01 56.22 1s16 n LEU 2194Cb 0.18 -0.40 -0.09 0.00 -2.33 0.00 0.00 43.42 40.78 1s16 n LEU 2194CO 0.37 -0.09 -0.07 0.00 -1.33 0.00 0.00 177.39 176.27 1s16 n PRO 2196N 1.38 0.23 0.00 0.00 -0.04 -1.25 -1.83 135.00 133.49 1s16 n PRO 2196Ca 0.26 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 1s16 n PRO 2196Cb 0.43 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 1s16 n PRO 2196CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s16 n GLY 2197N 2.92 2.76 3.77 0.55 0.00 -0.85 -4.97 105.19 109.37 1s16 n GLY 2197Ca 0.25 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1s16 n GLY 2197CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s16 s VAL 2198N -2.61 2.81 -0.19 1.61 0.11 -0.76 -4.92 120.40 116.45 1s16 s VAL 2198Ca 0.00 0.77 -0.11 0.00 -2.93 0.00 0.00 61.98 59.71 1s16 s VAL 2198Cb 0.00 -3.47 -0.05 0.00 -1.53 0.00 0.00 36.38 31.33 1s16 s VAL 2198CO 0.00 0.15 0.16 -1.61 -3.33 0.00 0.00 175.10 170.47 1s16 s GLU 2199N -1.98 4.19 -0.04 1.54 2.02 -0.42 -4.49 118.70 119.52 1s16 s GLU 2199Ca 0.52 -0.16 0.07 0.00 0.02 0.00 0.00 54.97 55.41 1s16 s GLU 2199Cb -0.37 -3.42 -0.01 0.00 0.10 0.00 0.00 34.13 30.43 1s16 s GLU 2199CO 0.49 0.30 -0.25 0.42 0.02 0.00 0.00 175.26 176.23 1s16 s ILE 2200N 0.36 2.02 0.04 -1.63 -1.09 0.05 -1.57 121.20 119.38 1s16 s ILE 2200Ca 0.10 -1.06 0.03 0.00 -2.23 0.00 0.00 60.65 57.48 1s16 s ILE 2200Cb -0.11 -1.70 -0.02 0.00 -1.58 0.00 0.00 42.46 39.05 1s16 s ILE 2200CO -0.01 0.56 -0.09 0.42 -1.23 0.00 0.00 174.94 174.60 1s16 s THR 2201N -0.31 0.65 -0.10 2.92 -4.23 -0.91 -0.37 115.64 113.28 1s16 s THR 2201Ca 0.01 -0.97 -0.02 0.00 -1.18 0.00 0.00 61.69 59.53 1s16 s THR 2201Cb -0.12 -0.67 0.04 0.00 1.34 0.00 0.00 72.50 73.09 1s16 s THR 2201CO 0.02 -0.25 0.04 0.12 -0.54 0.00 0.00 174.62 174.01 1s16 s PHE 2202N -1.12 0.42 -0.19 3.99 5.36 -0.12 -1.08 117.98 125.23 1s16 s PHE 2202Ca -0.06 -0.14 -0.04 0.00 -0.96 0.00 0.00 56.93 55.73 1s16 s PHE 2202Cb -0.09 -0.70 -0.02 0.00 -0.34 0.00 0.00 43.02 41.87 1s16 s PHE 2202CO 0.01 -0.36 -0.03 0.21 -1.46 0.00 0.00 175.22 173.59 1s16 s LYS 2203N 2.06 3.53 -0.45 10.12 2.20 0.15 -1.68 119.74 135.67 1s16 s LYS 2203Ca 0.04 -0.57 -0.08 0.00 -0.36 0.00 0.00 55.97 54.99 1s16 s LYS 2203Cb -0.14 -2.98 0.11 0.00 -1.51 0.00 0.00 37.83 33.31 1s16 s LYS 2203CO -0.06 0.01 0.31 0.34 -0.36 0.00 0.00 175.35 175.60 1s16 s ASP 2204N 0.96 5.63 0.00 1.43 -1.08 0.13 -0.65 116.67 123.09 1s16 s ASP 2204Ca 0.00 -1.85 0.17 0.00 -0.52 0.00 0.00 52.55 50.35 1s16 s ASP 2204Cb -0.15 -1.98 0.92 0.00 -1.46 0.00 0.00 42.92 40.26 1s16 s ASP 2204CO 0.01 -0.65 1.61 -0.62 0.52 0.00 0.00 175.17 176.04 1s16 n GLU 2205N 4.87 1.13 -0.11 4.34 1.02 0.16 -0.57 120.64 131.47 1s16 n GLU 2205Ca -0.08 -0.19 -0.24 0.00 -0.02 0.00 0.00 57.16 56.63 1s16 n GLU 2205Cb 0.41 -1.28 -0.11 0.00 -0.02 0.00 0.00 31.44 30.44 1s16 n GLU 2205CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1s16 n ILE 2206N -0.57 1.56 -0.04 -3.67 5.41 -1.26 -4.29 119.36 116.51 1s16 n ILE 2206Ca 0.13 -0.34 0.10 0.00 1.00 0.00 0.00 62.75 63.64 1s16 n ILE 2206Cb 0.10 -1.84 0.24 0.00 -0.71 0.00 0.00 39.64 37.43 1s16 n ILE 2206CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1s16 n ASN 2207N -4.06 3.49 -3.56 4.38 4.13 -1.23 -5.00 115.26 113.42 1s16 n ASN 2207Ca -0.43 -1.97 -0.20 0.00 1.68 0.00 0.00 54.58 53.66 1s16 n ASN 2207Cb 0.86 -0.33 0.01 0.00 -1.54 0.00 0.00 39.78 38.79 1s16 n ASN 2207CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1s16 n ASN 2208N 1.34 -5.84 -4.10 6.41 5.03 0.26 -5.02 115.26 113.35 1s16 n ASN 2208Ca 0.19 -0.74 -0.07 0.00 0.87 0.00 0.00 54.58 54.83 1s16 n ASN 2208Cb 0.56 -3.25 -0.10 0.00 -1.02 0.00 0.00 39.78 35.97 1s16 n ASN 2208CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1s16 s THR 2209N -3.16 0.21 -0.05 3.41 -4.23 -0.62 -5.00 115.64 106.20 1s16 s THR 2209Ca 0.16 -1.82 -0.04 0.00 -1.18 0.00 0.00 61.69 58.81 1s16 s THR 2209Cb -0.06 -1.58 0.02 0.00 1.34 0.00 0.00 72.50 72.22 1s16 s THR 2209CO 0.85 -0.94 0.13 -0.70 -0.54 0.00 0.00 174.62 173.42 1s16 s GLU 2210N -3.93 0.14 0.00 3.99 2.12 -1.26 -0.69 118.70 119.06 1s16 s GLU 2210Ca 0.09 0.23 -0.02 0.00 0.36 0.00 0.00 54.97 55.62 1s16 s GLU 2210Cb 0.08 0.01 -0.01 0.00 0.26 0.00 0.00 34.13 34.47 1s16 s GLU 2210CO -0.09 -0.06 0.04 -0.65 -0.54 0.00 0.00 175.26 173.97 1s16 s GLN 2211N 0.35 0.28 0.00 4.30 -0.21 -0.68 -5.01 119.66 118.69 1s16 s GLN 2211Ca -0.02 -0.34 0.01 0.00 0.02 0.00 0.00 55.36 55.02 1s16 s GLN 2211Cb -0.04 0.11 -0.00 0.00 1.00 0.00 0.00 33.01 34.08 1s16 s GLN 2211CO -0.01 -0.05 -0.03 1.03 -2.12 0.00 0.00 175.29 174.10 1s16 s ARG 2212N -0.98 0.24 -0.02 2.91 0.52 -1.26 -0.95 118.95 119.41 1s16 s ARG 2212Ca -0.11 -0.17 0.03 0.00 -0.52 0.00 0.00 55.73 54.97 1s16 s ARG 2212Cb -0.06 -0.19 -0.00 0.00 0.52 0.00 0.00 34.95 35.21 1s16 s ARG 2212CO -0.00 0.05 -0.12 -1.58 0.02 0.00 0.00 175.30 173.67 1s16 s TRP 2213N -0.23 1.19 -0.30 -0.53 0.51 0.50 -4.99 118.94 115.08 1s16 s TRP 2213Ca -0.01 -0.28 -0.00 0.00 -2.12 0.00 0.00 56.10 53.69 1s16 s TRP 2213Cb -0.02 -0.80 0.19 0.00 -0.81 0.00 0.00 33.47 32.03 1s16 s TRP 2213CO -0.00 -0.08 0.59 0.00 -0.51 0.00 0.00 176.95 176.95 1s16 s TYR 2215N 2.85 2.53 0.03 0.00 2.02 -1.26 -4.97 117.35 118.55 1s16 s TYR 2215Ca 0.20 -1.01 0.13 0.00 -0.37 0.00 0.00 57.07 56.02 1s16 s TYR 2215Cb -0.15 -1.69 0.17 0.00 -0.40 0.00 0.00 41.96 39.90 1s16 s TYR 2215CO -0.21 -0.40 1.49 1.96 -1.57 0.00 0.00 175.55 176.82 1s16 h GLN 2216N 6.66 0.00 -0.46 -0.62 1.08 -1.93 -2.25 115.11 117.58 1s16 h GLN 2216Ca -0.20 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 56.97 1s16 h GLN 2216Cb 1.23 0.00 -0.16 0.00 -0.05 0.00 0.00 27.48 28.50 1s16 h GLN 2216CO 0.47 0.61 -0.24 0.34 -0.95 0.00 0.00 178.83 179.06 1s16 s ASP 2217N -6.55 -0.68 -0.13 1.46 2.15 -1.26 -4.64 116.67 107.03 1s16 s ASP 2217Ca 0.02 -0.74 0.18 0.00 0.43 0.00 0.00 52.55 52.44 1s16 s ASP 2217Cb 0.09 0.88 0.29 0.00 -0.30 0.00 0.00 42.92 43.89 1s16 s ASP 2217CO 0.75 -0.03 1.16 0.61 -0.17 0.00 0.00 175.17 177.49 1s16 n GLY 2218N 2.89 4.73 0.11 2.66 0.00 -1.26 -4.75 105.19 109.56 1s16 n GLY 2218Ca 0.13 -1.07 -0.11 0.00 0.00 0.00 0.00 46.02 44.97 1s16 n GLY 2218CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1s16 h LEU 2219N 0.13 0.24 -0.20 0.99 5.85 -1.98 0.17 115.31 120.51 1s16 h LEU 2219Ca 0.00 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 1s16 h LEU 2219Cb 1.00 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 1s16 h LEU 2219CO 0.02 0.28 0.11 -1.13 -0.34 0.00 0.00 178.44 177.37 1s16 h ASN 2220N 0.19 0.25 -0.48 1.25 -0.73 -1.93 -2.72 115.58 111.41 1s16 h ASN 2220Ca 0.07 -0.09 -0.04 0.00 1.87 0.00 0.00 56.30 58.11 1s16 h ASN 2220Cb 0.10 -0.06 -0.03 0.00 0.27 0.00 0.00 38.32 38.60 1s16 h ASN 2220CO -0.01 0.27 0.17 0.44 -0.37 0.00 0.00 177.43 177.93 1s16 h ASP 2221N 0.21 0.72 -0.71 1.15 3.45 -1.83 -0.48 116.42 118.92 1s16 h ASP 2221Ca 0.07 -0.10 0.05 0.00 0.43 0.00 0.00 57.03 57.48 1s16 h ASP 2221Cb 0.08 -0.19 -0.05 0.00 -0.56 0.00 0.00 39.33 38.61 1s16 h ASP 2221CO -0.01 0.68 0.42 0.22 -1.57 0.00 0.00 179.24 178.98 1s16 h TYR 2222N 0.76 0.78 0.03 4.55 3.20 -0.37 0.72 116.97 126.64 1s16 h TYR 2222Ca 0.18 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.99 1s16 h TYR 2222Cb 0.22 -0.25 0.01 0.00 1.54 0.00 0.00 36.73 38.25 1s16 h TYR 2222CO 0.01 0.40 -0.33 1.25 -1.64 0.00 0.00 178.16 177.85 1s16 h LEU 2223N 0.78 0.24 -0.64 2.82 5.85 -1.21 -3.07 115.31 120.09 1s16 h LEU 2223Ca 0.31 -0.86 0.10 0.00 0.84 0.00 0.00 57.88 58.27 1s16 h LEU 2223Cb 0.14 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.02 1s16 h LEU 2223CO -0.16 1.07 0.24 0.00 -0.34 0.00 0.00 178.44 179.25 1s16 h ALA 2224N 0.17 0.83 -0.61 1.25 0.00 -0.94 -1.67 119.26 118.29 1s16 h ALA 2224Ca -0.05 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1s16 h ALA 2224Cb 1.15 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1s16 h ALA 2224CO 0.06 -0.19 0.11 0.93 0.00 0.00 0.00 179.25 180.16 1s16 h GLU 2225N 0.42 0.98 -0.34 0.00 5.08 -0.96 -1.47 114.58 118.29 1s16 h GLU 2225Ca 0.32 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1s16 h GLU 2225Cb 0.42 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1s16 h GLU 2225CO -0.32 0.90 0.13 0.00 -1.00 0.00 0.00 179.01 178.71 1s16 h ALA 2226N 1.18 1.59 -0.55 3.43 0.00 -1.21 -2.55 119.26 121.16 1s16 h ALA 2226Ca 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1s16 h ALA 2226Cb 0.39 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1s16 h ALA 2226CO 0.01 0.32 0.00 1.33 0.00 0.00 0.00 179.25 180.91 1s16 n VAL 2227N -4.39 1.23 -1.72 0.00 0.24 -1.01 -5.00 118.33 107.68 1s16 n VAL 2227Ca 0.02 -1.09 -0.42 0.00 -2.04 0.00 0.00 64.34 60.81 1s16 n VAL 2227Cb 0.14 0.39 -0.03 0.00 -1.47 0.00 0.00 33.84 32.87 1s16 n VAL 2227CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1s16 n ASN 2228N 1.00 3.95 0.00 -1.34 5.15 -0.57 -1.76 115.26 121.69 1s16 n ASN 2228Ca 0.20 1.07 0.00 0.00 -0.60 0.00 0.00 54.58 55.25 1s16 n ASN 2228Cb 0.61 -1.57 0.00 0.00 -0.53 0.00 0.00 39.78 38.29 1s16 n ASN 2228CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1s16 n GLY 2229N 3.70 1.45 3.67 8.20 0.00 -1.26 -5.06 105.19 115.89 1s16 n GLY 2229Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1s16 n GLY 2229CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s16 s LEU 2230N 0.00 3.52 0.20 0.99 1.02 -0.72 -5.08 118.68 118.60 1s16 s LEU 2230Ca 0.00 0.08 -0.31 0.00 0.02 0.00 0.00 54.13 53.92 1s16 s LEU 2230Cb 0.00 -1.88 -0.10 0.00 0.02 0.00 0.00 46.19 44.24 1s16 s LEU 2230CO 0.00 0.34 1.49 -2.84 0.02 0.00 0.00 176.35 175.36 1s16 s PRO 2231N -1.11 4.25 0.12 1.29 0.02 -1.26 -5.01 135.00 133.30 1s16 s PRO 2231Ca 0.15 2.30 0.02 0.00 0.02 0.00 0.00 61.00 63.49 1s16 s PRO 2231Cb -0.11 -3.14 -0.04 0.00 0.02 0.00 0.00 34.50 31.22 1s16 s PRO 2231CO 0.05 -0.51 -0.04 0.95 -0.33 0.00 0.00 177.00 177.13 1s16 s THR 2232N 0.63 0.66 -0.11 0.99 -4.23 -1.26 -4.61 115.64 107.70 1s16 s THR 2232Ca 0.65 -1.95 -0.03 0.00 -1.18 0.00 0.00 61.69 59.18 1s16 s THR 2232Cb -0.42 -1.84 0.04 0.00 1.34 0.00 0.00 72.50 71.63 1s16 s THR 2232CO 0.36 -0.73 0.07 -0.22 -0.54 0.00 0.00 174.62 173.56 1s16 s LEU 2233N -3.08 0.33 0.00 4.79 2.96 -0.14 -3.92 118.68 119.61 1s16 s LEU 2233Ca 0.16 -0.29 -0.18 0.00 -0.22 0.00 0.00 54.13 53.60 1s16 s LEU 2233Cb 0.06 -0.24 0.27 0.00 0.50 0.00 0.00 46.19 46.78 1s16 s LEU 2233CO -0.02 -0.29 1.00 -2.65 -1.32 0.00 0.00 176.35 173.07 1s16 n PRO 2234N 5.26 -2.80 0.02 0.98 -0.02 -1.26 -0.49 135.00 136.70 1s16 n PRO 2234Ca -0.05 -1.59 -0.04 0.00 -2.02 0.00 0.00 63.50 59.79 1s16 n PRO 2234Cb 0.49 -1.45 0.17 0.00 -0.02 0.00 0.00 33.50 32.70 1s16 n PRO 2234CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1s16 h GLU 2235N 0.00 0.47 -6.79 -0.52 4.81 -1.98 -3.44 114.58 107.13 1s16 h GLU 2235Ca -0.37 -0.20 -0.67 0.00 -0.13 0.00 0.00 59.36 57.98 1s16 h GLU 2235Cb 1.12 -0.01 -0.21 0.00 0.63 0.00 0.00 28.75 30.27 1s16 h GLU 2235CO 0.24 0.74 -0.86 0.15 -0.73 0.00 0.00 179.01 178.56 1s16 s LYS 2236N -4.35 1.39 0.51 1.92 1.02 -1.26 -4.91 119.74 114.06 1s16 s LYS 2236Ca -0.07 -1.36 -0.21 0.00 0.02 0.00 0.00 55.97 54.35 1s16 s LYS 2236Cb 0.13 -1.84 -0.08 0.00 -0.52 0.00 0.00 37.83 35.52 1s16 s LYS 2236CO 0.80 0.43 1.00 -2.30 -0.92 0.00 0.00 175.35 174.36 1s16 n PRO 2237N 0.82 1.19 -3.03 -1.68 -0.02 -1.26 -4.95 135.00 126.06 1s16 n PRO 2237Ca -0.17 0.44 -0.41 0.00 -2.02 0.00 0.00 63.50 61.34 1s16 n PRO 2237Cb 0.54 -2.13 -0.05 0.00 -0.02 0.00 0.00 33.50 31.83 1s16 n PRO 2237CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1s16 s PHE 2238N -1.40 3.34 0.30 6.00 5.99 0.11 -4.83 117.98 127.49 1s16 s PHE 2238Ca 0.69 1.00 0.10 0.00 0.00 0.00 0.00 56.93 58.72 1s16 s PHE 2238Cb -0.48 -2.90 -0.05 0.00 0.00 0.00 0.00 43.02 39.59 1s16 s PHE 2238CO 0.52 -0.28 -0.08 0.96 -0.00 0.00 0.00 175.22 176.34 1s16 s ILE 2239N 2.32 2.77 0.07 3.12 -4.36 -1.26 -1.27 121.20 122.60 1s16 s ILE 2239Ca 0.31 -2.15 -0.27 0.00 -0.26 0.00 0.00 60.65 58.28 1s16 s ILE 2239Cb -0.16 -2.60 0.08 0.00 1.25 0.00 0.00 42.46 41.03 1s16 s ILE 2239CO 0.09 -0.33 0.93 -0.83 0.24 0.00 0.00 174.94 175.05 1s16 s GLY 2240N -3.61 -0.35 -0.29 6.27 0.00 -0.96 -5.00 107.32 103.38 1s16 s GLY 2240Ca 0.32 0.56 -0.23 0.00 0.00 0.00 0.00 44.72 45.37 1s16 s GLY 2240CO 0.18 0.16 1.04 0.54 0.00 0.00 0.00 173.10 175.02 1s16 s ASN 2241N -2.73 -0.44 -0.03 1.64 2.20 -1.26 -1.76 114.94 112.57 1s16 s ASN 2241Ca 0.09 0.80 0.01 0.00 -0.94 0.00 0.00 52.86 52.83 1s16 s ASN 2241Cb -0.01 0.91 0.01 0.00 -2.00 0.00 0.00 41.25 40.17 1s16 s ASN 2241CO -0.03 -0.14 -0.05 0.12 -2.94 0.00 0.00 177.10 174.06 1s16 s PHE 2242N 0.51 0.70 -0.09 1.54 2.19 0.31 -4.98 117.98 118.17 1s16 s PHE 2242Ca 0.00 -0.17 0.01 0.00 0.33 0.00 0.00 56.93 57.10 1s16 s PHE 2242Cb -0.05 -0.58 0.02 0.00 -1.31 0.00 0.00 43.02 41.10 1s16 s PHE 2242CO -0.09 -0.13 -0.13 0.00 1.83 0.00 0.00 175.22 176.70 1s16 s ALA 2243N 0.57 1.46 0.04 11.12 0.00 -1.26 -0.60 121.76 133.09 1s16 s ALA 2243Ca -0.08 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.31 1s16 s ALA 2243Cb -0.11 -0.75 -0.00 0.00 0.00 0.00 0.00 23.12 22.26 1s16 s ALA 2243CO 0.00 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.10 1s16 n GLY 2244N 4.20 4.12 0.14 0.00 0.00 0.13 -5.00 105.19 108.77 1s16 n GLY 2244Ca -0.19 -2.14 -0.23 0.00 0.00 0.00 0.00 46.02 43.46 1s16 n GLY 2244CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1s16 h ASP 2245N 0.11 0.71 -0.01 1.61 3.32 -2.02 -3.36 116.42 116.79 1s16 h ASP 2245Ca -0.03 -0.93 0.00 0.00 0.02 0.00 0.00 57.03 56.09 1s16 h ASP 2245Cb 0.10 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.42 1s16 h ASP 2245CO 0.05 1.63 -0.18 0.35 -1.72 0.00 0.00 179.24 179.38 1s16 n THR 2246N -3.83 0.00 -3.65 0.35 -2.24 -1.26 -4.97 114.28 98.68 1s16 n THR 2246Ca -0.17 -0.37 -0.05 0.00 -2.27 0.00 0.00 64.05 61.19 1s16 n THR 2246Cb 1.02 1.26 -0.01 0.00 -2.10 0.00 0.00 70.33 70.49 1s16 n THR 2246CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1s16 s GLU 2247N -2.19 0.95 0.14 -0.78 1.03 -1.26 -2.41 118.70 114.17 1s16 s GLU 2247Ca 0.26 -0.47 -0.24 0.00 0.03 0.00 0.00 54.97 54.55 1s16 s GLU 2247Cb 0.19 0.36 0.07 0.00 -0.80 0.00 0.00 34.13 33.95 1s16 s GLU 2247CO 0.41 -0.43 0.67 0.00 -1.33 0.00 0.00 175.26 174.59 1s16 s ALA 2248N -3.10 -1.61 -0.14 -0.84 0.00 -0.62 0.17 121.76 115.61 1s16 s ALA 2248Ca 0.10 0.52 -0.10 0.00 0.00 0.00 0.00 51.96 52.48 1s16 s ALA 2248Cb -0.01 0.79 0.04 0.00 0.00 0.00 0.00 23.12 23.95 1s16 s ALA 2248CO -0.02 -0.78 0.35 0.54 0.00 0.00 0.00 175.76 175.84 1s16 s VAL 2249N -3.63 -0.01 0.03 0.00 0.11 0.23 -0.55 120.40 116.58 1s16 s VAL 2249Ca 0.03 0.05 0.04 0.00 -2.93 0.00 0.00 61.98 59.17 1s16 s VAL 2249Cb -0.01 -0.50 -0.02 0.00 -1.53 0.00 0.00 36.38 34.32 1s16 s VAL 2249CO -0.10 0.02 -0.12 -1.81 -3.33 0.00 0.00 175.10 169.76 1s16 s ASP 2250N 0.72 1.42 0.16 3.54 1.11 -0.09 -0.53 116.67 123.00 1s16 s ASP 2250Ca -0.04 -0.43 -0.21 0.00 0.18 0.00 0.00 52.55 52.05 1s16 s ASP 2250Cb -0.06 -0.08 0.06 0.00 1.07 0.00 0.00 42.92 43.91 1s16 s ASP 2250CO -0.05 0.00 0.54 -1.66 1.18 0.00 0.00 175.17 175.18 1s16 s TRP 2251N -0.85 -0.41 -0.10 4.23 -2.14 -0.72 -1.14 118.94 117.82 1s16 s TRP 2251Ca -0.00 0.15 -0.04 0.00 2.66 0.00 0.00 56.10 58.86 1s16 s TRP 2251Cb -0.08 0.47 0.05 0.00 -3.10 0.00 0.00 33.47 30.81 1s16 s TRP 2251CO 0.01 -0.82 0.21 0.00 -2.66 0.00 0.00 176.95 173.69 1s16 s ALA 2252N -3.78 -0.40 0.10 2.67 0.00 -0.92 -2.27 121.76 117.16 1s16 s ALA 2252Ca 0.02 0.81 -0.15 0.00 0.00 0.00 0.00 51.96 52.64 1s16 s ALA 2252Cb -0.00 -0.77 0.03 0.00 0.00 0.00 0.00 23.12 22.37 1s16 s ALA 2252CO -0.11 -0.43 0.36 -0.48 0.00 0.00 0.00 175.76 175.10 1s16 s LEU 2253N 1.88 0.58 0.25 0.00 0.05 -0.40 -1.34 118.68 119.71 1s16 s LEU 2253Ca -0.03 -0.31 -0.21 0.00 0.05 0.00 0.00 54.13 53.63 1s16 s LEU 2253Cb -0.12 1.67 0.05 0.00 -2.05 0.00 0.00 46.19 45.75 1s16 s LEU 2253CO -0.07 -0.79 0.88 -1.48 -0.55 0.00 0.00 176.35 174.34 1s16 s LEU 2254N -2.65 -0.11 0.13 1.48 0.05 -0.56 0.05 118.68 117.07 1s16 s LEU 2254Ca 0.02 -0.70 0.09 0.00 0.05 0.00 0.00 54.13 53.59 1s16 s LEU 2254Cb 0.02 2.45 -0.04 0.00 -2.05 0.00 0.00 46.19 46.56 1s16 s LEU 2254CO -0.10 -1.22 -0.18 0.26 -0.55 0.00 0.00 176.35 174.56 1s16 s TRP 2255N -2.94 2.52 -0.57 3.48 0.51 0.36 -0.45 118.94 121.84 1s16 s TRP 2255Ca 0.15 -0.27 0.06 0.00 -2.12 0.00 0.00 56.10 53.92 1s16 s TRP 2255Cb -0.04 -1.33 0.29 0.00 -0.81 0.00 0.00 33.47 31.59 1s16 s TRP 2255CO 0.06 0.40 0.80 1.28 -0.51 0.00 0.00 176.95 178.98 1s16 n LEU 2256N 0.72 3.49 0.11 2.99 4.77 -0.47 -0.97 117.00 127.65 1s16 n LEU 2256Ca -0.15 -5.44 0.18 0.00 -0.03 0.00 0.00 56.01 50.57 1s16 n LEU 2256Cb 0.53 -0.40 0.74 0.00 -2.33 0.00 0.00 43.42 41.96 1s16 n LEU 2256CO 0.29 2.19 1.16 1.55 -1.33 0.00 0.00 177.39 181.24 1s16 h PRO 2257N 3.62 0.00 0.00 3.23 0.13 -1.82 -0.74 132.00 136.42 1s16 h PRO 2257Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1s16 h PRO 2257Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1s16 h PRO 2257CO 0.77 0.00 -0.06 0.39 -0.23 0.00 0.00 178.00 178.87 1s16 n GLU 2258N -4.12 0.18 0.00 0.86 1.02 -1.26 -5.03 120.64 112.29 1s16 n GLU 2258Ca 0.05 0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 1s16 n GLU 2258Cb 0.45 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 1s16 n GLU 2258CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s16 n GLY 2259N 1.37 0.55 0.00 0.62 0.00 -0.28 -5.12 105.19 102.33 1s16 n GLY 2259Ca 0.06 -2.30 0.00 0.00 0.00 0.00 0.00 46.02 43.78 1s16 n GLY 2259CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s16 n GLY 2260N -0.50 2.84 3.69 -0.02 0.00 -1.26 -4.83 105.19 105.11 1s16 n GLY 2260Ca 0.00 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 1s16 n GLY 2260CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1s16 s GLU 2261N -3.16 4.25 0.33 1.61 2.12 -1.26 -5.00 118.70 117.59 1s16 s GLU 2261Ca 0.00 2.09 -0.14 0.00 0.36 0.00 0.00 54.97 57.28 1s16 s GLU 2261Cb 0.00 -3.57 -0.09 0.00 0.26 0.00 0.00 34.13 30.73 1s16 s GLU 2261CO 0.00 -0.63 0.73 -0.51 -0.54 0.00 0.00 175.26 174.32 1s16 s LEU 2262N 2.44 4.05 -0.21 2.70 1.43 -1.26 -4.92 118.68 122.90 1s16 s LEU 2262Ca 0.67 1.26 -0.04 0.00 -1.03 0.00 0.00 54.13 54.99 1s16 s LEU 2262Cb -0.34 -4.07 -0.02 0.00 0.03 0.00 0.00 46.19 41.80 1s16 s LEU 2262CO 0.28 -0.22 -0.03 -0.22 0.23 0.00 0.00 176.35 176.40 1s16 s LEU 2263N -3.05 3.04 -0.35 1.79 2.96 -1.26 -5.04 118.68 116.77 1s16 s LEU 2263Ca 0.54 -0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 54.13 1s16 s LEU 2263Cb -0.10 -1.77 0.12 0.00 0.50 0.00 0.00 46.19 44.94 1s16 s LEU 2263CO 0.19 0.01 0.17 0.42 -1.32 0.00 0.00 176.35 175.82 1s16 s THR 2264N 1.29 0.54 -0.04 3.68 -4.23 -1.25 0.65 115.64 116.28 1s16 s THR 2264Ca 0.04 -1.60 0.06 0.00 -1.18 0.00 0.00 61.69 59.00 1s16 s THR 2264Cb -0.14 -1.40 -0.01 0.00 1.34 0.00 0.00 72.50 72.28 1s16 s THR 2264CO -0.01 -0.84 -0.24 -1.61 -0.54 0.00 0.00 174.62 171.39 1s16 s GLU 2265N 1.28 2.28 -0.01 3.99 2.02 -0.14 -4.98 118.70 123.13 1s16 s GLU 2265Ca 0.14 -0.86 0.05 0.00 0.02 0.00 0.00 54.97 54.33 1s16 s GLU 2265Cb -0.20 -2.01 -0.01 0.00 0.10 0.00 0.00 34.13 32.00 1s16 s GLU 2265CO -0.14 0.41 -0.18 0.45 0.02 0.00 0.00 175.26 175.82 1s16 s SER 2266N -0.26 2.08 0.01 -0.19 0.15 -1.26 -0.41 113.70 113.82 1s16 s SER 2266Ca 0.00 -0.32 -0.00 0.00 0.70 0.00 0.00 55.95 56.33 1s16 s SER 2266Cb -0.12 -0.23 -0.01 0.00 -1.71 0.00 0.00 66.02 63.94 1s16 s SER 2266CO 0.02 0.22 -0.01 -0.31 1.20 0.00 0.00 173.24 174.36 1s16 s TYR 2267N -0.42 0.17 -0.16 3.44 1.51 0.57 -0.82 117.35 121.64 1s16 s TYR 2267Ca 0.07 -0.36 -0.02 0.00 -1.01 0.00 0.00 57.07 55.75 1s16 s TYR 2267Cb -0.07 -0.13 0.05 0.00 -0.11 0.00 0.00 41.96 41.70 1s16 s TYR 2267CO -0.01 -0.14 -0.00 0.08 -1.11 0.00 0.00 175.55 174.37 1s16 s VAL 2268N -1.04 0.71 -1.49 0.71 1.01 -0.41 -0.99 120.40 118.90 1s16 s VAL 2268Ca -0.11 -0.48 -0.12 0.00 0.00 0.00 0.00 61.98 61.26 1s16 s VAL 2268Cb -0.07 -1.05 0.07 0.00 0.00 0.00 0.00 36.38 35.33 1s16 s VAL 2268CO -0.01 -0.02 0.94 0.59 0.00 0.00 0.00 175.10 176.60 1s16 n ASN 2269N 5.00 -5.06 0.00 3.32 3.02 0.33 -0.65 115.26 121.22 1s16 n ASN 2269Ca -0.10 -0.67 0.00 0.00 -0.03 0.00 0.00 54.58 53.78 1s16 n ASN 2269Cb 0.48 -4.04 0.00 0.00 -0.61 0.00 0.00 39.78 35.60 1s16 n ASN 2269CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1s16 n LEU 2270N -4.60 0.38 -4.66 3.41 4.32 -1.26 -3.43 117.00 111.15 1s16 n LEU 2270Ca 0.02 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.61 1s16 n LEU 2270Cb 0.54 -0.98 -0.05 0.00 -1.62 0.00 0.00 43.42 41.31 1s16 n LEU 2270CO 0.70 -0.30 0.51 -0.63 -1.22 0.00 0.00 177.39 176.44 1s16 s ILE 2271N -2.12 4.94 -0.19 -0.08 -1.09 0.18 -4.97 121.20 117.86 1s16 s ILE 2271Ca 0.00 1.42 -0.29 0.00 -2.23 0.00 0.00 60.65 59.55 1s16 s ILE 2271Cb 0.00 -4.05 -0.02 0.00 -1.58 0.00 0.00 42.46 36.81 1s16 s ILE 2271CO 0.00 0.05 1.43 -2.16 -1.23 0.00 0.00 174.94 173.04 1s16 s PRO 2272N 2.12 4.03 -1.01 2.79 0.04 -1.26 -1.28 135.00 140.42 1s16 s PRO 2272Ca 0.33 1.65 -0.13 0.00 0.04 0.00 0.00 61.00 62.89 1s16 s PRO 2272Cb -0.16 -3.90 0.22 0.00 0.04 0.00 0.00 34.50 30.69 1s16 s PRO 2272CO 0.11 -0.99 1.06 0.95 0.04 0.00 0.00 177.00 178.17 1s16 s THR 2273N 4.26 5.51 0.57 1.26 -4.23 -0.00 -4.67 115.64 118.34 1s16 s THR 2273Ca 0.63 -2.69 0.28 0.00 -1.18 0.00 0.00 61.69 58.73 1s16 s THR 2273Cb -0.23 -4.64 0.39 0.00 1.34 0.00 0.00 72.50 69.36 1s16 s THR 2273CO 0.23 -1.26 1.95 0.24 -0.54 0.00 0.00 174.62 175.24 1s16 h MET 2274N 7.46 0.00 -0.38 3.99 2.86 -1.75 0.91 114.93 128.02 1s16 h MET 2274Ca 0.18 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.73 1s16 h MET 2274Cb 0.95 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.56 1s16 h MET 2274CO 0.98 0.00 0.04 1.04 1.06 0.00 0.00 176.91 180.03 1s16 n GLN 2275N -3.92 2.85 0.00 1.72 6.02 0.10 -5.04 117.38 119.12 1s16 n GLN 2275Ca 0.09 -2.98 0.00 0.00 -0.01 0.00 0.00 57.00 54.10 1s16 n GLN 2275Cb 0.63 -1.92 0.00 0.00 1.02 0.00 0.00 30.24 29.98 1s16 n GLN 2275CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1s16 n GLY 2276N -0.58 3.35 0.00 1.08 0.00 0.31 -4.74 105.19 104.61 1s16 n GLY 2276Ca 0.28 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1s16 n GLY 2276CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s16 n GLY 2277N 0.00 0.84 0.35 -0.02 0.00 -1.26 -1.25 105.19 103.85 1s16 n GLY 2277Ca 0.00 -1.90 0.08 0.00 0.00 0.00 0.00 46.02 44.20 1s16 n GLY 2277CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1s16 h THR 2278N 0.00 0.99 -0.53 2.61 1.35 -1.56 -0.12 112.91 115.65 1s16 h THR 2278Ca 0.00 -0.22 -0.11 0.00 -0.55 0.00 0.00 66.41 65.53 1s16 h THR 2278Cb 0.00 0.30 -0.02 0.00 -1.73 0.00 0.00 68.15 66.70 1s16 h THR 2278CO 0.00 0.12 -0.10 1.12 -0.25 0.00 0.00 175.52 176.40 1s16 h HIS 2279N 0.63 1.12 -0.42 4.73 2.07 -1.84 -0.73 115.15 120.71 1s16 h HIS 2279Ca 0.29 -0.23 -0.15 0.00 -2.85 0.00 0.00 60.37 57.43 1s16 h HIS 2279Cb 0.32 -0.28 -0.01 0.00 2.57 0.00 0.00 27.41 30.02 1s16 h HIS 2279CO -0.00 1.04 -0.33 0.28 -3.07 0.00 0.00 177.93 175.85 1s16 h VAL 2280N 0.87 1.27 -0.67 6.12 2.07 -1.72 -2.03 116.25 122.16 1s16 h VAL 2280Ca 0.14 -1.50 0.01 0.00 0.82 0.00 0.00 66.70 66.17 1s16 h VAL 2280Cb 0.66 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1s16 h VAL 2280CO 0.05 0.51 0.45 0.78 0.02 0.00 0.00 177.57 179.37 1s16 h ASN 2281N 0.80 0.76 -0.33 0.57 -0.26 -0.86 -1.67 115.58 114.58 1s16 h ASN 2281Ca 0.08 -0.02 -0.11 0.00 -0.56 0.00 0.00 56.30 55.69 1s16 h ASN 2281Cb 0.92 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.99 1s16 h ASN 2281CO 0.09 0.54 -0.21 1.23 -1.06 0.00 0.00 177.43 178.01 1s16 h GLY 2282N 0.89 0.79 0.82 2.83 0.00 -0.84 -1.79 103.07 105.78 1s16 h GLY 2282Ca 0.25 -0.75 0.02 0.00 0.00 0.00 0.00 47.33 46.85 1s16 h GLY 2282CO -0.06 0.68 -0.04 -2.00 0.00 0.00 0.00 176.54 175.12 1s16 h LEU 2283N 0.50 -0.14 -0.32 3.11 5.85 -0.85 0.23 115.31 123.70 1s16 h LEU 2283Ca 0.07 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.84 1s16 h LEU 2283Cb 0.77 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.84 1s16 h LEU 2283CO 0.06 -0.06 0.15 -0.09 -0.34 0.00 0.00 178.44 178.15 1s16 h ARG 2284N -0.06 0.30 -0.79 1.25 2.43 -1.30 -2.02 114.38 114.20 1s16 h ARG 2284Ca 0.04 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1s16 h ARG 2284Cb 0.11 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 1s16 h ARG 2284CO -0.08 0.20 0.39 1.96 -1.51 0.00 0.00 179.97 180.93 1s16 h GLN 2285N 0.31 1.13 -0.78 0.20 1.08 -1.06 -1.52 115.11 114.47 1s16 h GLN 2285Ca 0.13 -0.16 -0.05 0.00 -1.45 0.00 0.00 58.65 57.13 1s16 h GLN 2285Cb 0.06 -0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 27.25 1s16 h GLN 2285CO -0.10 0.87 0.29 0.78 -0.95 0.00 0.00 178.83 179.71 1s16 h GLY 2286N 1.11 1.27 0.87 3.46 0.00 -0.69 0.83 103.07 109.92 1s16 h GLY 2286Ca 0.27 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 1s16 h GLY 2286CO -0.04 0.67 0.06 1.41 0.00 0.00 0.00 176.54 178.64 1s16 h LEU 2287N 1.14 0.23 0.23 3.11 4.07 -1.09 -1.91 115.31 121.09 1s16 h LEU 2287Ca 0.26 -0.17 -0.01 0.00 0.08 0.00 0.00 57.88 58.03 1s16 h LEU 2287Cb 0.25 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.93 1s16 h LEU 2287CO -0.02 0.34 -0.11 0.25 -1.08 0.00 0.00 178.44 177.82 1s16 h LEU 2288N 0.10 -0.26 -0.81 1.67 5.85 -0.96 -1.38 115.31 119.51 1s16 h LEU 2288Ca 0.05 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.84 1s16 h LEU 2288Cb 0.19 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 1s16 h LEU 2288CO -0.00 -0.17 0.49 0.44 -0.34 0.00 0.00 178.44 178.85 1s16 h ASP 2289N -0.33 0.74 -0.29 1.25 3.32 -0.82 -0.33 116.42 119.97 1s16 h ASP 2289Ca -0.03 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1s16 h ASP 2289Cb 0.25 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1s16 h ASP 2289CO 0.05 0.46 0.02 0.00 -1.72 0.00 0.00 179.24 178.05 1s16 h ALA 2290N 1.41 0.38 -0.62 3.45 0.00 -1.21 -2.01 119.26 120.66 1s16 h ALA 2290Ca 0.37 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1s16 h ALA 2290Cb 0.23 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1s16 h ALA 2290CO -0.20 0.10 0.07 1.98 0.00 0.00 0.00 179.25 181.20 1s16 h MET 2291N 0.29 1.04 -0.29 0.00 1.85 -0.78 -0.82 114.93 116.23 1s16 h MET 2291Ca 0.08 -0.29 0.00 0.00 -0.61 0.00 0.00 59.70 58.89 1s16 h MET 2291Cb 0.39 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 32.29 1s16 h MET 2291CO 0.01 0.98 0.18 0.00 -0.40 0.00 0.00 176.91 177.68 1s16 h ARG 2292N 0.97 0.38 -0.25 0.39 3.08 -1.02 -0.75 114.38 117.19 1s16 h ARG 2292Ca 0.19 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.22 1s16 h ARG 2292Cb 0.47 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1s16 h ARG 2292CO 0.02 0.27 0.13 1.49 -1.07 0.00 0.00 179.97 180.81 1s16 h GLU 2293N 0.38 0.27 -0.32 0.04 4.81 -1.06 0.12 114.58 118.82 1s16 h GLU 2293Ca 0.10 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1s16 h GLU 2293Cb -0.02 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 1s16 h GLU 2293CO -0.02 0.18 0.08 0.35 -0.73 0.00 0.00 179.01 178.86 1s16 h PHE 2294N 0.28 0.13 -0.29 0.92 3.57 -0.89 -1.11 116.94 119.54 1s16 h PHE 2294Ca 0.10 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.50 1s16 h PHE 2294Cb 0.01 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1s16 h PHE 2294CO -0.09 0.04 -0.32 0.00 -2.23 0.00 0.00 178.31 175.71 1s16 h GLU 2296N 0.53 0.78 0.00 0.00 5.08 -0.52 -2.15 114.58 118.30 1s16 h GLU 2296Ca 0.06 -0.47 -0.09 0.00 -1.00 0.00 0.00 59.36 57.87 1s16 h GLU 2296Cb 0.82 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1s16 h GLU 2296CO 0.07 1.10 -0.41 -0.92 -1.00 0.00 0.00 179.01 177.84 1s16 h TYR 2297N 0.61 0.00 -0.16 4.33 5.03 -1.17 -2.86 116.97 122.75 1s16 h TYR 2297Ca 0.02 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.33 1s16 h TYR 2297Cb 1.09 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.37 1s16 h TYR 2297CO 0.06 0.41 0.00 0.54 -1.32 0.00 0.00 178.16 177.85 1s16 n ARG 2298N -3.89 2.13 -3.39 1.82 1.74 -0.99 -4.96 116.66 109.12 1s16 n ARG 2298Ca -0.01 -1.67 -0.24 0.00 -0.77 0.00 0.00 57.85 55.16 1s16 n ARG 2298Cb 0.46 -1.47 -0.00 0.00 -1.02 0.00 0.00 32.46 30.44 1s16 n ARG 2298CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1s16 n ASN 2299N 0.95 -3.96 -0.66 0.55 4.13 -0.83 -4.85 115.26 110.60 1s16 n ASN 2299Ca 0.17 -0.42 0.12 0.00 1.68 0.00 0.00 54.58 56.13 1s16 n ASN 2299Cb 0.50 -3.26 0.14 0.00 -1.54 0.00 0.00 39.78 35.63 1s16 n ASN 2299CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 1s16 n ILE 2300N -4.04 0.00 -2.49 2.41 -5.35 -1.08 -4.88 119.36 103.93 1s16 n ILE 2300Ca -0.02 -0.34 -0.43 0.00 -0.27 0.00 0.00 62.75 61.69 1s16 n ILE 2300Cb 0.55 1.17 -0.02 0.00 -1.74 0.00 0.00 39.64 39.59 1s16 n ILE 2300CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 1s16 s LEU 2301N -2.23 3.83 0.83 7.28 2.96 -1.25 -5.01 118.68 125.10 1s16 s LEU 2301Ca 0.25 1.03 -0.11 0.00 -0.22 0.00 0.00 54.13 55.08 1s16 s LEU 2301Cb 0.19 -3.54 0.10 0.00 0.50 0.00 0.00 46.19 43.44 1s16 s LEU 2301CO 0.43 -1.09 1.13 -2.84 -1.32 0.00 0.00 176.35 172.66 1s16 s PRO 2302N 4.15 1.65 0.24 0.98 0.02 -1.26 -4.90 135.00 135.87 1s16 s PRO 2302Ca 0.53 1.44 -0.31 0.00 0.02 0.00 0.00 61.00 62.68 1s16 s PRO 2302Cb -0.14 -1.81 -0.13 0.00 0.02 0.00 0.00 34.50 32.44 1s16 s PRO 2302CO 0.23 -2.14 1.50 2.89 -0.33 0.00 0.00 177.00 179.15 1s16 n ARG 2303N -3.73 2.27 -0.90 5.54 0.00 -1.26 -1.67 116.66 116.91 1s16 n ARG 2303Ca 0.11 0.81 0.00 0.00 -0.00 0.00 0.00 57.85 58.77 1s16 n ARG 2303Cb 0.52 -2.53 0.00 0.00 -0.00 0.00 0.00 32.46 30.45 1s16 n ARG 2303CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1s16 n GLY 2304N 2.44 0.72 3.57 2.89 0.00 -1.26 -4.99 105.19 108.56 1s16 n GLY 2304Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1s16 n GLY 2304CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s16 s VAL 2305N -3.12 5.29 -0.07 1.61 1.01 -0.67 -5.07 120.40 119.39 1s16 s VAL 2305Ca 0.00 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.06 1s16 s VAL 2305Cb 0.00 -3.59 -0.00 0.00 0.00 0.00 0.00 36.38 32.79 1s16 s VAL 2305CO 0.00 0.16 -0.20 -0.54 0.00 0.00 0.00 175.10 174.52 1s16 s LYS 2306N 1.75 2.31 0.43 2.72 -0.14 -1.26 -4.71 119.74 120.83 1s16 s LYS 2306Ca 0.07 -0.72 -0.23 0.00 -1.36 0.00 0.00 55.97 53.72 1s16 s LYS 2306Cb -0.16 -1.88 -0.09 0.00 -1.68 0.00 0.00 37.83 34.02 1s16 s LYS 2306CO 0.11 0.22 1.07 -0.51 -0.76 0.00 0.00 175.35 175.48 1s16 s LEU 2307N 0.18 4.05 0.18 3.17 1.43 -1.26 -4.94 118.68 121.49 1s16 s LEU 2307Ca -0.10 2.07 0.06 0.00 -1.03 0.00 0.00 54.13 55.13 1s16 s LEU 2307Cb -0.15 -4.27 -0.05 0.00 0.03 0.00 0.00 46.19 41.76 1s16 s LEU 2307CO 0.05 -0.64 -0.11 -0.94 0.23 0.00 0.00 176.35 174.94 1s16 s SER 2308N -1.60 2.15 0.28 2.29 1.04 -1.26 -5.05 113.70 111.56 1s16 s SER 2308Ca 0.61 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 56.00 1s16 s SER 2308Cb -0.22 -0.07 0.66 0.00 0.10 0.00 0.00 66.02 66.50 1s16 s SER 2308CO 0.27 -0.28 1.63 0.00 0.98 0.00 0.00 173.24 175.85 1s16 h ALA 2309N 2.65 1.17 -0.85 5.32 0.00 -1.97 -0.02 119.26 125.56 1s16 h ALA 2309Ca -0.37 0.24 0.18 0.00 0.00 0.00 0.00 54.91 54.96 1s16 h ALA 2309Cb 1.21 0.38 -0.06 0.00 0.00 0.00 0.00 17.79 19.31 1s16 h ALA 2309CO 0.63 -0.48 0.56 0.93 0.00 0.00 0.00 179.25 180.90 1s16 h GLU 2310N 0.16 0.39 0.00 0.00 3.07 -1.96 -1.14 114.58 115.09 1s16 h GLU 2310Ca 0.53 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.35 1s16 h GLU 2310Cb 1.06 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.88 1s16 h GLU 2310CO -0.69 0.26 -0.06 -0.44 -1.40 0.00 0.00 179.01 176.67 1s16 h ASP 2311N 0.40 0.00 -0.00 1.42 3.45 -1.33 -1.51 116.42 118.85 1s16 h ASP 2311Ca 0.43 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.89 1s16 h ASP 2311Cb 1.06 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.83 1s16 h ASP 2311CO -0.15 0.06 -0.00 2.30 -1.57 0.00 0.00 179.24 179.88 1s16 n ILE 2312N -3.79 0.00 -0.06 0.35 -6.64 -0.79 -4.34 119.36 104.08 1s16 n ILE 2312Ca -0.02 -0.50 -0.07 0.00 -1.77 0.00 0.00 62.75 60.39 1s16 n ILE 2312Cb 0.16 1.03 -0.08 0.00 -1.44 0.00 0.00 39.64 39.30 1s16 n ILE 2312CO 0.00 0.00 0.00 1.87 -1.77 0.00 0.00 176.55 176.65 1s16 n TRP 2313N 0.05 0.00 -0.34 4.28 -0.00 -0.50 -4.44 117.44 116.49 1s16 n TRP 2313Ca 0.01 0.00 0.17 0.00 -0.00 0.00 0.00 57.50 57.68 1s16 n TRP 2313Cb 0.04 -0.56 0.39 0.00 -0.00 0.00 0.00 31.31 31.18 1s16 n TRP 2313CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 177.69 177.25 1s16 h ASP 2314N 0.00 0.67 -0.19 5.87 3.32 -1.52 -2.16 116.42 122.41 1s16 h ASP 2314Ca -0.31 0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.85 1s16 h ASP 2314Cb 1.65 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.19 1s16 h ASP 2314CO -0.00 0.17 0.00 0.54 -1.72 0.00 0.00 179.24 178.23 1s16 n ARG 2315N -4.78 2.47 -2.96 3.56 5.12 -1.26 -5.00 116.66 113.81 1s16 n ARG 2315Ca 0.25 -2.77 -0.41 0.00 -1.93 0.00 0.00 57.85 52.99 1s16 n ARG 2315Cb 0.70 -1.75 -0.05 0.00 -1.16 0.00 0.00 32.46 30.20 1s16 n ARG 2315CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1s16 s ALA 2317N 2.77 3.65 0.15 0.00 0.00 0.40 -4.82 121.76 123.90 1s16 s ALA 2317Ca 0.32 -0.70 -0.15 0.00 0.00 0.00 0.00 51.96 51.43 1s16 s ALA 2317Cb -0.15 -2.11 0.03 0.00 0.00 0.00 0.00 23.12 20.88 1s16 s ALA 2317CO 0.08 0.19 0.41 1.52 0.00 0.00 0.00 175.76 177.96 1s16 s TYR 2318N 0.28 -0.09 -0.11 0.00 -0.85 0.21 -1.49 117.35 115.30 1s16 s TYR 2318Ca 0.08 -0.25 -0.01 0.00 -0.52 0.00 0.00 57.07 56.36 1s16 s TYR 2318Cb -0.11 0.24 0.03 0.00 0.38 0.00 0.00 41.96 42.50 1s16 s TYR 2318CO -0.01 -0.75 -0.03 0.08 -1.52 0.00 0.00 175.55 173.31 1s16 s VAL 2319N -3.85 0.70 -0.10 -3.49 1.01 -0.45 -0.97 120.40 113.27 1s16 s VAL 2319Ca 0.07 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 61.91 1s16 s VAL 2319Cb 0.01 -0.85 -0.00 0.00 0.00 0.00 0.00 36.38 35.54 1s16 s VAL 2319CO -0.08 0.24 -0.23 -0.22 0.00 0.00 0.00 175.10 174.81 1s16 s LEU 2320N 1.83 2.14 -0.18 3.92 2.96 0.45 -2.18 118.68 127.63 1s16 s LEU 2320Ca 0.04 -0.53 -0.02 0.00 -0.22 0.00 0.00 54.13 53.40 1s16 s LEU 2320Cb -0.13 -1.42 0.05 0.00 0.50 0.00 0.00 46.19 45.19 1s16 s LEU 2320CO -0.07 0.17 0.00 -0.55 -1.32 0.00 0.00 176.35 174.59 1s16 s SER 2321N 0.27 2.89 0.06 3.68 0.15 -0.29 -0.31 113.70 120.15 1s16 s SER 2321Ca -0.16 -0.76 0.04 0.00 0.70 0.00 0.00 55.95 55.77 1s16 s SER 2321Cb -0.17 -0.73 -0.04 0.00 -1.71 0.00 0.00 66.02 63.37 1s16 s SER 2321CO 0.08 -0.26 -0.03 -0.69 1.20 0.00 0.00 173.24 173.54 1s16 s VAL 2322N 1.76 3.83 -0.11 4.45 1.01 -0.16 -0.91 120.40 130.26 1s16 s VAL 2322Ca -0.01 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.05 1s16 s VAL 2322Cb -0.16 -2.77 -0.00 0.00 0.00 0.00 0.00 36.38 33.44 1s16 s VAL 2322CO -0.07 0.21 -0.20 -0.54 0.00 0.00 0.00 175.10 174.50 1s16 s LYS 2323N -1.99 3.17 0.00 2.72 3.01 0.29 -0.51 119.74 126.43 1s16 s LYS 2323Ca 0.22 -0.81 0.00 0.00 -1.01 0.00 0.00 55.97 54.37 1s16 s LYS 2323Cb -0.11 -2.43 -0.00 0.00 -1.01 0.00 0.00 37.83 34.27 1s16 s LYS 2323CO 0.14 0.18 -0.01 -1.64 0.51 0.00 0.00 175.35 174.52 1s16 s MET 2324N 0.39 0.09 0.21 1.68 -1.94 -1.26 -1.59 119.30 116.87 1s16 s MET 2324Ca -0.15 -0.13 0.06 0.00 -1.71 0.00 0.00 55.69 53.76 1s16 s MET 2324Cb -0.17 -0.01 0.13 0.00 2.01 0.00 0.00 34.83 36.80 1s16 s MET 2324CO 0.07 -0.00 1.48 1.96 -0.01 0.00 0.00 175.02 178.51 1s16 h GLN 2325N 5.85 0.12 -2.05 2.03 4.20 -1.70 -3.40 115.11 120.16 1s16 h GLN 2325Ca -0.26 -0.11 -0.54 0.00 0.06 0.00 0.00 58.65 57.80 1s16 h GLN 2325Cb 1.21 0.03 -0.37 0.00 0.30 0.00 0.00 27.48 28.65 1s16 h GLN 2325CO 0.49 0.81 -1.00 -3.47 -0.67 0.00 0.00 178.83 175.00 1s16 n ASP 2326N -3.71 -0.43 -4.74 1.46 2.03 -1.26 -4.89 116.55 105.01 1s16 n ASP 2326Ca -0.02 -2.57 -0.29 0.00 0.52 0.00 0.00 54.79 52.43 1s16 n ASP 2326Cb 0.72 -0.40 0.14 0.00 -0.72 0.00 0.00 41.12 40.87 1s16 n ASP 2326CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1s16 s PRO 2327N -0.43 1.13 -0.08 -0.67 0.04 -1.26 -5.05 135.00 128.68 1s16 s PRO 2327Ca 0.34 0.53 -0.02 0.00 0.04 0.00 0.00 61.00 61.89 1s16 s PRO 2327Cb 0.10 -1.82 0.03 0.00 0.04 0.00 0.00 34.50 32.86 1s16 s PRO 2327CO -0.16 -2.26 0.03 -1.14 0.04 0.00 0.00 177.00 173.52 1s16 s GLN 2328N -5.09 0.34 0.15 4.56 0.74 -1.26 -5.02 119.66 114.08 1s16 s GLN 2328Ca 0.64 0.15 0.05 0.00 0.05 0.00 0.00 55.36 56.25 1s16 s GLN 2328Cb -0.16 -0.95 -0.04 0.00 1.10 0.00 0.00 33.01 32.96 1s16 s GLN 2328CO 0.55 -0.36 0.10 -0.06 -0.55 0.00 0.00 175.29 174.97 1s16 s PHE 2329N 2.04 3.10 -0.95 1.67 0.08 -1.26 -0.19 117.98 122.47 1s16 s PHE 2329Ca 0.04 -0.02 0.24 0.00 0.12 0.00 0.00 56.93 57.31 1s16 s PHE 2329Cb -0.13 -1.51 0.98 0.00 -0.57 0.00 0.00 43.02 41.79 1s16 s PHE 2329CO -0.05 0.52 1.75 0.00 -0.10 0.00 0.00 175.22 177.33 1s16 n ALA 2330N -0.11 2.06 -3.67 5.36 0.00 -0.48 -4.81 120.51 118.85 1s16 n ALA 2330Ca -0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 53.44 53.27 1s16 n ALA 2330Cb 0.54 -1.39 -0.01 0.00 0.00 0.00 0.00 19.45 18.59 1s16 n ALA 2330CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1s16 s GLY 2331N -3.08 -0.33 0.47 0.00 0.00 -1.26 -5.02 107.32 98.10 1s16 s GLY 2331Ca 0.11 0.52 0.16 0.00 0.00 0.00 0.00 44.72 45.51 1s16 s GLY 2331CO 0.44 0.10 2.01 -1.61 0.00 0.00 0.00 173.10 174.04 1s16 h GLN 2332N 2.00 0.26 0.00 2.90 5.75 -1.90 0.60 115.11 124.72 1s16 h GLN 2332Ca -0.26 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.22 1s16 h GLN 2332Cb 1.21 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.71 1s16 h GLN 2332CO 0.27 0.17 0.00 0.25 -2.65 0.00 0.00 178.83 176.87 1s16 n THR 2333N -4.46 0.18 -3.92 2.39 -2.24 -1.26 -4.93 114.28 100.05 1s16 n THR 2333Ca 0.08 0.05 -0.25 0.00 -2.27 0.00 0.00 64.05 61.66 1s16 n THR 2333Cb 0.38 -0.61 -0.01 0.00 -2.10 0.00 0.00 70.33 67.99 1s16 n THR 2333CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1s16 n LYS 2334N -1.36 -3.55 0.15 -0.78 5.02 0.20 -4.89 118.16 112.96 1s16 n LYS 2334Ca 0.10 0.44 0.03 0.00 -2.02 0.00 0.00 58.31 56.86 1s16 n LYS 2334Cb 0.24 -4.64 0.06 0.00 -0.02 0.00 0.00 35.03 30.67 1s16 n LYS 2334CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1s16 h GLU 2335N -1.84 0.00 -4.04 1.97 5.08 -1.83 -3.39 114.58 110.53 1s16 h GLU 2335Ca -0.63 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.42 1s16 h GLU 2335Cb 1.37 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 30.33 1s16 h GLU 2335CO 0.62 0.47 -0.75 0.50 -1.00 0.00 0.00 179.01 178.85 1s16 s ARG 2336N -3.02 0.32 -0.17 2.33 3.52 -1.26 0.03 118.95 120.70 1s16 s ARG 2336Ca 0.04 -0.09 -0.20 0.00 -0.13 0.00 0.00 55.73 55.35 1s16 s ARG 2336Cb 0.08 -0.35 -0.03 0.00 -1.56 0.00 0.00 34.95 33.09 1s16 s ARG 2336CO 0.74 0.03 0.58 -1.17 -0.81 0.00 0.00 175.30 174.66 1s16 s LEU 2337N 0.19 4.19 0.00 -0.88 2.96 -0.38 -1.38 118.68 123.38 1s16 s LEU 2337Ca -0.02 0.83 0.10 0.00 -0.22 0.00 0.00 54.13 54.83 1s16 s LEU 2337Cb -0.05 -2.83 0.22 0.00 0.50 0.00 0.00 46.19 44.04 1s16 s LEU 2337CO -0.00 -0.17 1.11 -1.54 -1.32 0.00 0.00 176.35 174.42 1s16 n SER 2338N 4.54 2.55 -4.55 3.68 3.41 0.74 -1.50 113.62 122.49 1s16 n SER 2338Ca -0.03 -1.81 -0.43 0.00 -0.26 0.00 0.00 58.87 56.34 1s16 n SER 2338Cb 0.50 -0.15 -0.04 0.00 -0.26 0.00 0.00 64.21 64.26 1s16 n SER 2338CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1s16 n SER 2339N 0.52 2.62 -0.20 4.04 7.64 -1.19 -4.86 113.62 122.19 1s16 n SER 2339Ca 0.09 0.04 -0.02 0.00 1.01 0.00 0.00 58.87 59.99 1s16 n SER 2339Cb 0.37 -1.48 0.04 0.00 -1.01 0.00 0.00 64.21 62.13 1s16 n SER 2339CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1s16 h ARG 2340N 15.69 -0.07 0.00 1.43 2.43 -1.94 -2.52 114.38 129.40 1s16 h ARG 2340Ca -0.32 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 1s16 h ARG 2340Cb 1.27 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 1s16 h ARG 2340CO 1.05 -0.04 0.00 1.96 -1.51 0.00 0.00 179.97 181.42 1s16 h GLN 2341N -0.07 0.00 0.00 0.20 1.08 -1.99 -3.22 115.11 111.11 1s16 h GLN 2341Ca 0.27 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.45 1s16 h GLN 2341Cb 0.49 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.92 1s16 h GLN 2341CO -0.64 0.00 -0.12 0.00 -0.95 0.00 0.00 178.83 177.12 1s16 h ALA 2343N 1.88 -0.48 -0.89 0.00 0.00 -1.58 -1.78 119.26 116.41 1s16 h ALA 2343Ca -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1s16 h ALA 2343Cb 0.26 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1s16 h ALA 2343CO 0.02 -0.75 0.48 0.00 0.00 0.00 0.00 179.25 178.99 1s16 h ALA 2344N 0.11 1.17 0.68 0.00 0.00 -1.74 -0.49 119.26 118.99 1s16 h ALA 2344Ca -0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1s16 h ALA 2344Cb 0.40 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1s16 h ALA 2344CO 0.08 0.66 -0.41 0.35 0.00 0.00 0.00 179.25 179.93 1s16 h PHE 2345N 1.24 -1.10 -0.69 0.00 3.57 -1.32 -1.19 116.94 117.46 1s16 h PHE 2345Ca 0.31 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.74 1s16 h PHE 2345Cb 0.04 0.39 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 1s16 h PHE 2345CO 0.01 -0.63 0.20 0.28 -2.23 0.00 0.00 178.31 175.94 1s16 h VAL 2346N -1.03 1.26 -0.34 1.41 2.07 -1.26 -2.63 116.25 115.73 1s16 h VAL 2346Ca -0.09 -0.91 0.05 0.00 0.82 0.00 0.00 66.70 66.57 1s16 h VAL 2346Cb 0.83 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 1s16 h VAL 2346CO 0.09 0.35 0.08 -1.28 0.02 0.00 0.00 177.57 176.84 1s16 h SER 2347N 1.02 0.05 -0.40 0.57 0.87 -1.01 -0.00 113.55 114.65 1s16 h SER 2347Ca 0.22 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.82 1s16 h SER 2347Cb 0.33 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 1s16 h SER 2347CO -0.00 0.06 0.21 1.23 -0.53 0.00 0.00 176.83 177.80 1s16 h GLY 2348N 0.21 0.60 0.88 5.77 0.00 -1.07 0.09 103.07 109.55 1s16 h GLY 2348Ca 0.16 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 1s16 h GLY 2348CO -0.19 0.27 0.07 -2.08 0.00 0.00 0.00 176.54 174.61 1s16 h VAL 2349N 0.51 1.20 -0.33 4.60 2.07 -1.22 -2.35 116.25 120.72 1s16 h VAL 2349Ca 0.14 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 1s16 h VAL 2349Cb 0.08 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1s16 h VAL 2349CO -0.02 0.20 0.11 0.58 0.02 0.00 0.00 177.57 178.46 1s16 h VAL 2350N 0.22 1.20 0.16 2.57 2.07 -0.89 -1.73 116.25 119.86 1s16 h VAL 2350Ca 0.08 -0.66 0.02 0.00 0.82 0.00 0.00 66.70 66.95 1s16 h VAL 2350Cb 0.24 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1s16 h VAL 2350CO -0.00 0.23 -0.31 0.50 0.02 0.00 0.00 177.57 178.00 1s16 h LYS 2351N 0.38 -0.54 -0.75 1.57 3.64 -0.95 0.27 116.57 120.20 1s16 h LYS 2351Ca 0.11 0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.60 1s16 h LYS 2351Cb 0.24 0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 32.12 1s16 h LYS 2351CO -0.00 -0.36 0.42 -0.44 -2.27 0.00 0.00 179.45 176.79 1s16 h ASP 2352N -0.56 0.60 -0.06 4.20 3.32 -1.37 -0.28 116.42 122.26 1s16 h ASP 2352Ca 0.02 0.04 -0.14 0.00 0.02 0.00 0.00 57.03 56.97 1s16 h ASP 2352Cb 0.57 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1s16 h ASP 2352CO -0.16 0.37 -0.44 0.00 -1.72 0.00 0.00 179.24 177.29 1s16 h ALA 2353N 1.40 0.78 -0.08 3.45 0.00 -0.87 -2.72 119.26 121.23 1s16 h ALA 2353Ca 0.35 -0.46 -0.24 0.00 0.00 0.00 0.00 54.91 54.55 1s16 h ALA 2353Cb 0.27 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.97 1s16 h ALA 2353CO -0.22 0.66 -0.91 0.35 0.00 0.00 0.00 179.25 179.13 1s16 h PHE 2354N 0.49 1.05 -0.81 0.00 3.57 0.09 -1.10 116.94 120.23 1s16 h PHE 2354Ca 0.03 -0.52 -0.01 0.00 3.53 0.00 0.00 57.97 61.01 1s16 h PHE 2354Cb 0.96 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.52 1s16 h PHE 2354CO 0.04 1.35 0.49 0.82 -2.23 0.00 0.00 178.31 178.78 1s16 h ILE 2355N 0.47 1.23 -0.22 1.41 2.04 -1.11 0.24 117.51 121.57 1s16 h ILE 2355Ca -0.09 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 1s16 h ILE 2355Cb 1.55 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1s16 h ILE 2355CO 0.18 0.24 0.07 0.25 0.00 0.00 0.00 178.15 178.89 1s16 h LEU 2356N 1.11 0.33 -0.67 1.44 5.85 -1.44 -2.22 115.31 119.70 1s16 h LEU 2356Ca 0.29 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1s16 h LEU 2356Cb -0.04 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 1s16 h LEU 2356CO -0.05 0.45 0.33 -0.25 -0.34 0.00 0.00 178.44 178.57 1s16 h TRP 2357N 0.19 0.96 -0.73 1.25 7.01 -0.73 -2.30 115.95 121.60 1s16 h TRP 2357Ca 0.07 -0.05 0.02 0.00 2.11 0.00 0.00 58.89 61.05 1s16 h TRP 2357Cb 0.24 -0.30 -0.04 0.00 -2.10 0.00 0.00 29.16 26.96 1s16 h TRP 2357CO 0.00 0.72 0.47 -0.07 -2.79 0.00 0.00 178.44 176.77 1s16 h LEU 2358N 0.93 0.78 -1.03 0.65 4.07 -0.40 -1.47 115.31 118.83 1s16 h LEU 2358Ca 0.23 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.18 1s16 h LEU 2358Cb 0.11 -0.18 -0.00 0.00 1.08 0.00 0.00 40.66 41.67 1s16 h LEU 2358CO -0.03 0.55 -0.01 0.78 -1.08 0.00 0.00 178.44 178.65 1s16 h ASN 2359N 0.92 0.00 0.11 -0.43 -0.26 -1.14 -2.96 115.58 111.83 1s16 h ASN 2359Ca 0.28 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.02 1s16 h ASN 2359Cb -0.02 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.24 1s16 h ASN 2359CO -0.09 0.01 -0.42 0.00 -1.06 0.00 0.00 177.43 175.87 1s16 n GLN 2360N -3.10 0.95 -3.14 0.81 6.02 -0.78 -4.39 117.38 113.74 1s16 n GLN 2360Ca 0.02 -0.70 -0.19 0.00 -0.01 0.00 0.00 57.00 56.12 1s16 n GLN 2360Cb 0.38 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 30.12 1s16 n GLN 2360CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1s16 n ASN 2361N -0.41 1.28 -0.27 1.08 4.13 -0.62 -4.99 115.26 115.44 1s16 n ASN 2361Ca 0.10 -3.07 0.01 0.00 1.68 0.00 0.00 54.58 53.29 1s16 n ASN 2361Cb 0.41 -0.61 0.08 0.00 -1.54 0.00 0.00 39.78 38.11 1s16 n ASN 2361CO 0.00 0.00 0.00 -0.37 0.28 0.00 0.00 177.26 177.17 1s16 h VAL 2362N 1.31 0.18 -0.39 2.41 -1.51 -1.76 0.17 116.25 116.66 1s16 h VAL 2362Ca 0.10 0.00 0.06 0.00 -1.23 0.00 0.00 66.70 65.63 1s16 h VAL 2362Cb 0.93 0.18 -0.05 0.00 -2.13 0.00 0.00 31.29 30.21 1s16 h VAL 2362CO 0.54 0.00 0.06 -0.61 -1.23 0.00 0.00 177.57 176.33 1s16 h GLN 2363N -0.03 0.18 -0.08 5.19 4.15 -1.94 0.19 115.11 122.76 1s16 h GLN 2363Ca 0.35 -0.01 -0.17 0.00 0.77 0.00 0.00 58.65 59.60 1s16 h GLN 2363Cb 0.58 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.22 1s16 h GLN 2363CO -0.81 0.12 -0.66 0.00 -1.93 0.00 0.00 178.83 175.54 1s16 h ALA 2364N 1.31 0.71 -0.62 3.38 0.00 -1.74 -2.97 119.26 119.32 1s16 h ALA 2364Ca 0.19 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1s16 h ALA 2364Cb 0.24 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1s16 h ALA 2364CO -0.26 0.75 0.30 0.00 0.00 0.00 0.00 179.25 180.03 1s16 h ALA 2365N 1.05 0.81 -0.88 0.00 0.00 0.11 -0.66 119.26 119.69 1s16 h ALA 2365Ca -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1s16 h ALA 2365Cb 1.21 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 1s16 h ALA 2365CO 0.11 0.37 0.48 0.93 0.00 0.00 0.00 179.25 181.14 1s16 h GLU 2366N 0.86 1.22 -0.49 0.00 4.39 -0.59 0.06 114.58 120.02 1s16 h GLU 2366Ca 0.21 -0.14 -0.08 0.00 0.34 0.00 0.00 59.36 59.69 1s16 h GLU 2366Cb 0.12 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 1s16 h GLU 2366CO -0.03 0.89 -0.00 -0.07 -1.16 0.00 0.00 179.01 178.64 1s16 h LEU 2367N 1.22 0.85 -0.77 1.33 4.07 -1.29 -1.05 115.31 119.67 1s16 h LEU 2367Ca 0.31 -0.31 -0.09 0.00 0.08 0.00 0.00 57.88 57.87 1s16 h LEU 2367Cb 0.03 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.52 1s16 h LEU 2367CO -0.05 0.95 -0.07 -0.07 -1.08 0.00 0.00 178.44 178.12 1s16 h LEU 2368N 0.73 0.85 -0.63 1.67 3.38 -0.76 -0.06 115.31 120.49 1s16 h LEU 2368Ca 0.14 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 1s16 h LEU 2368Cb 0.52 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1s16 h LEU 2368CO 0.03 0.95 -0.06 0.00 0.09 0.00 0.00 178.44 179.44 1s16 h ALA 2369N 1.13 0.84 -0.52 1.53 0.00 -0.85 -0.58 119.26 120.81 1s16 h ALA 2369Ca 0.14 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1s16 h ALA 2369Cb 0.57 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1s16 h ALA 2369CO 0.03 0.66 0.30 1.49 0.00 0.00 0.00 179.25 181.73 1s16 h GLU 2370N 0.91 0.71 -0.02 0.00 4.22 -0.77 0.12 114.58 119.74 1s16 h GLU 2370Ca 0.15 -0.07 0.01 0.00 0.08 0.00 0.00 59.36 59.52 1s16 h GLU 2370Cb 0.62 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1s16 h GLU 2370CO 0.04 0.53 -0.01 1.98 -2.18 0.00 0.00 179.01 179.38 1s16 h MET 2371N 0.69 -0.00 -0.25 1.92 4.05 -0.65 -0.30 114.93 120.39 1s16 h MET 2371Ca 0.18 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.57 1s16 h MET 2371Cb 0.02 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.81 1s16 h MET 2371CO -0.03 -0.00 0.03 0.00 0.23 0.00 0.00 176.91 177.13 1s16 h ALA 2372N 1.02 0.33 -0.30 0.39 0.00 -0.82 -2.03 119.26 117.86 1s16 h ALA 2372Ca 0.01 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1s16 h ALA 2372Cb 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1s16 h ALA 2372CO -0.03 0.03 0.00 0.82 0.00 0.00 0.00 179.25 180.08 1s16 h ILE 2373N 0.22 1.26 -0.01 0.00 2.04 -0.73 -0.92 117.51 119.37 1s16 h ILE 2373Ca 0.07 -0.93 -0.02 0.00 1.00 0.00 0.00 64.86 64.98 1s16 h ILE 2373Cb 0.36 1.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1s16 h ILE 2373CO 0.01 0.30 -0.11 0.77 0.00 0.00 0.00 178.15 179.12 1s16 h SER 2374N 0.33 0.01 -0.13 1.72 4.64 -1.07 0.20 113.55 119.25 1s16 h SER 2374Ca 0.09 -0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.35 1s16 h SER 2374Cb 0.43 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1s16 h SER 2374CO 0.01 0.12 -0.12 -1.28 -0.87 0.00 0.00 176.83 174.69 1s16 h SER 2375N 0.01 0.33 -0.85 4.97 0.87 -0.97 -0.96 113.55 116.95 1s16 h SER 2375Ca 0.00 -0.48 0.01 0.00 -1.23 0.00 0.00 61.79 60.09 1s16 h SER 2375Cb 0.21 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.03 1s16 h SER 2375CO 0.01 0.74 0.56 0.00 -0.53 0.00 0.00 176.83 177.62 1s16 h ALA 2376N 0.60 1.08 -0.12 6.23 0.00 -0.49 -1.35 119.26 125.21 1s16 h ALA 2376Ca 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1s16 h ALA 2376Cb 0.65 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1s16 h ALA 2376CO 0.03 0.49 0.05 1.96 0.00 0.00 0.00 179.25 181.78 1s16 h GLN 2377N 1.16 0.18 -0.08 0.00 4.20 -0.88 -2.16 115.11 117.53 1s16 h GLN 2377Ca 0.31 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.88 1s16 h GLN 2377Cb -0.13 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 1s16 h GLN 2377CO -0.07 0.28 -0.46 0.07 -0.67 0.00 0.00 178.83 177.99 1s16 h ARG 2378N 0.04 0.18 -0.34 1.46 0.11 -0.95 -1.59 114.38 113.30 1s16 h ARG 2378Ca 0.04 -0.09 -0.09 0.00 0.10 0.00 0.00 59.98 59.94 1s16 h ARG 2378Cb 0.17 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.23 1s16 h ARG 2378CO -0.00 0.61 -0.14 0.07 0.10 0.00 0.00 179.97 180.60 1s16 h ARG 2379N 0.15 0.61 -0.31 0.08 0.11 -1.19 -0.65 114.38 113.18 1s16 h ARG 2379Ca 0.01 -0.20 -0.08 0.00 0.10 0.00 0.00 59.98 59.81 1s16 h ARG 2379Cb 0.87 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.89 1s16 h ARG 2379CO 0.07 0.73 -0.13 0.52 0.10 0.00 0.00 179.97 181.27 1s16 h MET 2380N 0.56 0.64 -0.87 0.08 2.86 -0.91 -2.18 114.93 115.11 1s16 h MET 2380Ca 0.10 -0.27 -0.02 0.00 -2.06 0.00 0.00 59.70 57.45 1s16 h MET 2380Cb 0.57 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.16 1s16 h MET 2380CO 0.04 0.85 0.46 0.00 1.06 0.00 0.00 176.91 179.32 1s16 h ARG 2381N 0.41 1.22 -0.62 1.72 3.08 -1.01 -2.69 114.38 116.48 1s16 h ARG 2381Ca 0.07 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1s16 h ARG 2381Cb 0.64 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 1s16 h ARG 2381CO 0.04 0.90 0.40 0.00 -1.07 0.00 0.00 179.97 180.24 1s16 h ALA 2382N 1.25 0.79 0.00 0.04 0.00 -0.96 -3.51 119.26 116.87 1s16 h ALA 2382Ca 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1s16 h ALA 2382Cb 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1s16 h ALA 2382CO -0.05 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.44