#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nd5 s GLU 2001N 0.00 0.03 0.21 1.64 2.12 -0.18 -4.91 118.70 117.60 1nd5 s GLU 2001Ca 0.00 0.35 -0.31 0.00 0.36 0.00 0.00 54.97 55.38 1nd5 s GLU 2001Cb 0.00 -0.24 -0.10 0.00 0.26 0.00 0.00 34.13 34.05 1nd5 s GLU 2001CO 0.00 -0.21 1.51 -1.17 -0.54 0.00 0.00 175.26 174.85 1nd5 s LEU 2002N 1.42 4.38 0.00 2.70 2.96 -1.26 0.12 118.68 129.00 1nd5 s LEU 2002Ca -0.06 2.64 0.00 0.00 -0.22 0.00 0.00 54.13 56.50 1nd5 s LEU 2002Cb -0.12 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.96 1nd5 s LEU 2002CO -0.05 -0.77 0.00 1.17 -1.32 0.00 0.00 176.35 175.38 1nd5 n LYS 2003N 3.16 1.37 -3.64 1.98 3.00 0.56 -4.85 118.16 119.73 1nd5 n LYS 2003Ca 0.10 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.36 1nd5 n LYS 2003Cb 0.39 -0.88 -0.07 0.00 0.00 0.00 0.00 35.03 34.47 1nd5 n LYS 2003CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 1nd5 s PHE 2004N -1.55 -0.39 0.05 5.64 5.36 -1.08 -4.80 117.98 121.22 1nd5 s PHE 2004Ca 0.00 0.87 0.03 0.00 -0.96 0.00 0.00 56.93 56.87 1nd5 s PHE 2004Cb 0.00 0.35 -0.03 0.00 -0.34 0.00 0.00 43.02 43.01 1nd5 s PHE 2004CO 0.00 -0.19 -0.10 0.54 -1.46 0.00 0.00 175.22 174.02 1nd5 s VAL 2005N 0.58 0.70 -0.02 3.12 0.11 -0.72 0.04 120.40 124.21 1nd5 s VAL 2005Ca -0.00 -1.17 0.04 0.00 -2.93 0.00 0.00 61.98 57.91 1nd5 s VAL 2005Cb -0.04 -0.77 -0.01 0.00 -1.53 0.00 0.00 36.38 34.03 1nd5 s VAL 2005CO -0.11 -0.35 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.30 1nd5 s THR 2006N -1.42 0.98 -0.04 5.04 2.01 0.89 -2.38 115.64 120.72 1nd5 s THR 2006Ca -0.07 -0.51 0.05 0.00 0.31 0.00 0.00 61.69 61.47 1nd5 s THR 2006Cb -0.10 -0.83 -0.01 0.00 0.01 0.00 0.00 72.50 71.57 1nd5 s THR 2006CO 0.01 0.28 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.27 1nd5 s LEU 2007N -0.14 1.98 -0.30 4.42 1.43 -0.61 -1.19 118.68 124.28 1nd5 s LEU 2007Ca 0.02 -0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 52.72 1nd5 s LEU 2007Cb -0.06 -1.06 0.10 0.00 0.03 0.00 0.00 46.19 45.20 1nd5 s LEU 2007CO 0.00 0.20 0.10 -0.69 0.23 0.00 0.00 176.35 176.19 1nd5 s VAL 2008N -0.15 0.54 0.42 -1.59 1.01 -0.95 -0.50 120.40 119.18 1nd5 s VAL 2008Ca -0.00 -1.13 0.07 0.00 0.00 0.00 0.00 61.98 60.91 1nd5 s VAL 2008Cb -0.11 -1.40 -0.06 0.00 0.00 0.00 0.00 36.38 34.81 1nd5 s VAL 2008CO 0.02 -0.66 0.09 0.72 0.00 0.00 0.00 175.10 175.27 1nd5 s PHE 2009N 1.79 2.53 -0.02 5.22 -0.12 -0.98 -0.67 117.98 125.74 1nd5 s PHE 2009Ca 0.09 -0.64 0.01 0.00 -0.05 0.00 0.00 56.93 56.33 1nd5 s PHE 2009Cb -0.17 -1.86 -0.04 0.00 -0.63 0.00 0.00 43.02 40.32 1nd5 s PHE 2009CO -0.28 0.31 0.01 0.50 -0.05 0.00 0.00 175.22 175.70 1nd5 s ARG 2010N -3.81 2.85 1.10 1.99 3.52 -0.80 -0.68 118.95 123.11 1nd5 s ARG 2010Ca 0.37 -0.55 -0.20 0.00 -0.13 0.00 0.00 55.73 55.22 1nd5 s ARG 2010Cb 0.07 -2.71 0.06 0.00 -1.56 0.00 0.00 34.95 30.80 1nd5 s ARG 2010CO 0.20 0.65 -0.24 -2.39 -0.81 0.00 0.00 175.30 172.70 1nd5 n HIS 2011N 1.56 -1.42 -1.63 5.12 1.44 -0.99 -1.59 115.22 117.72 1nd5 n HIS 2011Ca -0.15 0.22 0.00 0.00 -2.01 0.00 0.00 57.72 55.78 1nd5 n HIS 2011Cb 0.53 -1.54 0.00 0.00 0.12 0.00 0.00 29.99 29.10 1nd5 n HIS 2011CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1nd5 n GLY 2012N 2.26 -0.08 3.58 -1.39 0.00 -1.26 -1.53 105.19 106.75 1nd5 n GLY 2012Ca 0.00 -1.82 -0.50 0.00 0.00 0.00 0.00 46.02 43.70 1nd5 n GLY 2012CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nd5 n ASP 2013N -2.86 1.37 -4.21 1.61 -0.08 -1.26 -4.82 116.55 106.30 1nd5 n ASP 2013Ca 0.00 1.13 -0.12 0.00 -1.51 0.00 0.00 54.79 54.29 1nd5 n ASP 2013Cb 0.00 -1.19 -0.10 0.00 2.34 0.00 0.00 41.12 42.17 1nd5 n ASP 2013CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1nd5 s ARG 2014N -0.08 1.13 0.59 -0.67 1.70 -1.26 -0.89 118.95 119.47 1nd5 s ARG 2014Ca 0.77 -1.57 -0.09 0.00 -0.47 0.00 0.00 55.73 54.37 1nd5 s ARG 2014Cb -0.90 0.10 -0.03 0.00 -0.57 0.00 0.00 34.95 33.55 1nd5 s ARG 2014CO 0.50 -0.29 0.97 -1.54 -1.08 0.00 0.00 175.30 173.86 1nd5 s SER 2015N -3.15 6.11 0.59 -2.89 1.04 0.90 -4.86 113.70 111.45 1nd5 s SER 2015Ca 0.32 1.22 -0.18 0.00 0.48 0.00 0.00 55.95 57.78 1nd5 s SER 2015Cb 0.07 -2.30 -0.06 0.00 0.10 0.00 0.00 66.02 63.83 1nd5 s SER 2015CO 0.08 -0.86 0.81 -0.81 0.98 0.00 0.00 173.24 173.43 1nd5 n PRO 2016N -2.64 0.74 0.08 4.02 -0.04 -1.26 -2.91 135.00 132.99 1nd5 n PRO 2016Ca 0.05 0.29 -0.01 0.00 -0.04 0.00 0.00 63.50 63.78 1nd5 n PRO 2016Cb 0.55 -2.00 -0.05 0.00 -0.04 0.00 0.00 33.50 31.96 1nd5 n PRO 2016CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1nd5 h ILE 2017N 0.37 0.99 -1.96 0.52 2.04 -1.91 0.22 117.51 117.77 1nd5 h ILE 2017Ca -0.47 -2.51 0.02 0.00 1.00 0.00 0.00 64.86 62.90 1nd5 h ILE 2017Cb 1.38 2.44 -0.00 0.00 -0.74 0.00 0.00 36.82 39.89 1nd5 h ILE 2017CO 0.49 0.56 0.10 -0.67 0.00 0.00 0.00 178.15 178.64 1nd5 n ASP 2018N -3.16 -0.44 -3.60 1.72 2.03 -1.26 -4.59 116.55 107.25 1nd5 n ASP 2018Ca -0.03 -1.27 -0.07 0.00 0.52 0.00 0.00 54.79 53.95 1nd5 n ASP 2018Cb 0.84 0.72 -0.01 0.00 -0.72 0.00 0.00 41.12 41.96 1nd5 n ASP 2018CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1nd5 s THR 2019N -2.59 0.00 0.31 5.18 -1.32 -1.26 -4.62 115.64 111.33 1nd5 s THR 2019Ca 0.05 -0.92 -0.06 0.00 -1.21 0.00 0.00 61.69 59.54 1nd5 s THR 2019Cb -0.01 -2.26 -0.06 0.00 -1.51 0.00 0.00 72.50 68.67 1nd5 s THR 2019CO 0.02 0.00 0.60 0.72 -2.21 0.00 0.00 174.62 173.74 1nd5 s PHE 2020N -3.33 3.47 0.00 9.09 -0.12 -0.78 -4.88 117.98 121.43 1nd5 s PHE 2020Ca 0.13 0.74 0.00 0.00 -0.05 0.00 0.00 56.93 57.75 1nd5 s PHE 2020Cb -0.05 -2.18 0.00 0.00 -0.63 0.00 0.00 43.02 40.16 1nd5 s PHE 2020CO 0.07 0.13 0.82 -2.30 -0.05 0.00 0.00 175.22 173.88 1nd5 n PRO 2021N -0.94 0.00 0.00 1.99 -0.02 -1.21 -1.91 135.00 132.92 1nd5 n PRO 2021Ca -0.01 0.82 0.02 0.00 -2.02 0.00 0.00 63.50 62.31 1nd5 n PRO 2021Cb 0.54 -1.27 0.13 0.00 -0.02 0.00 0.00 33.50 32.87 1nd5 n PRO 2021CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1nd5 n THR 2022N -2.48 0.00 -1.87 3.45 -2.24 -0.91 -4.79 114.28 105.45 1nd5 n THR 2022Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 1nd5 n THR 2022Cb 0.00 -0.80 -0.03 0.00 -2.10 0.00 0.00 70.33 67.40 1nd5 n THR 2022CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1nd5 s ASP 2023N -1.96 6.55 0.20 3.42 -1.08 -0.80 -4.84 116.67 118.16 1nd5 s ASP 2023Ca 0.07 2.40 -0.11 0.00 -0.52 0.00 0.00 52.55 54.38 1nd5 s ASP 2023Cb 0.03 -2.53 0.12 0.00 -1.46 0.00 0.00 42.92 39.08 1nd5 s ASP 2023CO 0.05 -1.00 1.83 -0.65 0.52 0.00 0.00 175.17 175.92 1nd5 h PRO 2024N 10.08 0.94 -6.37 4.34 0.11 -1.90 -3.39 132.00 135.82 1nd5 h PRO 2024Ca -0.43 -0.09 -0.57 0.00 0.11 0.00 0.00 66.00 65.02 1nd5 h PRO 2024Cb 1.20 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 32.07 1nd5 h PRO 2024CO 0.95 0.68 1.01 0.42 -0.21 0.00 0.00 178.00 180.85 1nd5 s ILE 2025N -5.94 4.04 0.41 4.15 1.01 -1.26 -5.01 121.20 118.60 1nd5 s ILE 2025Ca -0.13 1.16 0.07 0.00 0.00 0.00 0.00 60.65 61.75 1nd5 s ILE 2025Cb 0.14 -4.11 -0.06 0.00 0.01 0.00 0.00 42.46 38.44 1nd5 s ILE 2025CO 0.78 -0.50 0.12 -0.54 0.00 0.00 0.00 174.94 174.80 1nd5 s LYS 2026N 4.37 2.13 0.42 2.79 -0.14 -1.26 -4.98 119.74 123.07 1nd5 s LYS 2026Ca 0.59 -1.93 0.28 0.00 -1.36 0.00 0.00 55.97 53.54 1nd5 s LYS 2026Cb -0.17 -1.87 1.40 0.00 -1.68 0.00 0.00 37.83 35.51 1nd5 s LYS 2026CO 0.25 -0.09 1.60 1.49 -0.76 0.00 0.00 175.35 177.85 1nd5 h GLU 2027N 1.55 0.06 -0.39 1.68 4.81 -1.94 0.87 114.58 121.22 1nd5 h GLU 2027Ca -0.43 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1nd5 h GLU 2027Cb 1.25 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 1nd5 h GLU 2027CO 0.74 0.04 0.24 0.77 -0.73 0.00 0.00 179.01 180.07 1nd5 h SER 2028N 0.06 0.45 0.23 1.04 0.02 -1.96 -1.23 113.55 112.17 1nd5 h SER 2028Ca 0.84 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.77 1nd5 h SER 2028Cb 2.51 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 64.93 1nd5 h SER 2028CO -0.52 0.35 0.00 -1.20 -1.14 0.00 0.00 176.83 174.31 1nd5 n SER 2029N -4.46 0.00 -4.38 3.07 7.64 0.30 -4.57 113.62 111.21 1nd5 n SER 2029Ca 0.03 0.36 -0.33 0.00 1.01 0.00 0.00 58.87 59.94 1nd5 n SER 2029Cb 0.07 -0.41 -0.14 0.00 -1.01 0.00 0.00 64.21 62.72 1nd5 n SER 2029CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1nd5 s TRP 2030N -2.83 2.86 0.00 1.43 0.52 -0.47 -5.01 118.94 115.45 1nd5 s TRP 2030Ca 0.06 -0.62 0.00 0.00 0.02 0.00 0.00 56.10 55.56 1nd5 s TRP 2030Cb 0.06 -1.89 0.00 0.00 -1.15 0.00 0.00 33.47 30.49 1nd5 s TRP 2030CO 0.14 -0.22 0.13 -2.30 0.02 0.00 0.00 176.95 174.72 1nd5 n PRO 2031N 3.64 0.00 -2.70 4.98 -0.02 -1.26 -3.01 135.00 136.63 1nd5 n PRO 2031Ca -0.18 0.13 -0.43 0.00 -2.02 0.00 0.00 63.50 60.99 1nd5 n PRO 2031Cb 0.52 -0.55 0.00 0.00 -0.02 0.00 0.00 33.50 33.46 1nd5 n PRO 2031CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1nd5 n GLN 2032N -0.28 3.48 0.00 -0.52 3.00 -1.26 -5.00 117.38 116.81 1nd5 n GLN 2032Ca 0.00 -3.73 0.00 0.00 -0.01 0.00 0.00 57.00 53.26 1nd5 n GLN 2032Cb 0.00 -2.99 0.00 0.00 0.00 0.00 0.00 30.24 27.25 1nd5 n GLN 2032CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1nd5 n GLY 2033N 3.53 0.37 3.88 1.08 0.00 -1.16 -4.33 105.19 108.56 1nd5 n GLY 2033Ca 0.38 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 1nd5 n GLY 2033CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nd5 s PHE 2034N 0.00 3.60 -0.21 1.61 2.99 -1.26 -4.26 117.98 120.45 1nd5 s PHE 2034Ca 0.00 1.11 0.00 0.00 0.00 0.00 0.00 56.93 58.04 1nd5 s PHE 2034Cb 0.00 -2.57 0.00 0.00 0.00 0.00 0.00 43.02 40.45 1nd5 s PHE 2034CO 0.00 -0.54 0.00 0.41 -0.00 0.00 0.00 175.22 175.09 1nd5 n GLY 2035N -2.57 0.32 3.88 4.36 0.00 0.76 -4.93 105.19 107.01 1nd5 n GLY 2035Ca 0.04 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1nd5 n GLY 2035CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nd5 s GLN 2036N -1.71 3.69 -0.02 1.61 1.11 -1.26 -4.50 119.66 118.59 1nd5 s GLN 2036Ca 0.00 0.07 -0.30 0.00 0.01 0.00 0.00 55.36 55.14 1nd5 s GLN 2036Cb 0.00 -2.99 -0.04 0.00 -1.01 0.00 0.00 33.01 28.97 1nd5 s GLN 2036CO 0.00 0.56 1.25 -1.17 0.01 0.00 0.00 175.29 175.94 1nd5 s LEU 2037N -2.02 4.31 0.78 2.90 2.96 -1.26 -0.07 118.68 126.28 1nd5 s LEU 2037Ca 0.33 1.93 -0.07 0.00 -0.22 0.00 0.00 54.13 56.11 1nd5 s LEU 2037Cb -0.13 -3.56 0.13 0.00 0.50 0.00 0.00 46.19 43.12 1nd5 s LEU 2037CO 0.19 -0.59 1.09 0.42 -1.32 0.00 0.00 176.35 176.13 1nd5 s THR 2038N 2.01 2.15 0.10 3.68 -4.23 -0.07 -4.93 115.64 114.35 1nd5 s THR 2038Ca 0.58 -0.35 -0.26 0.00 -1.18 0.00 0.00 61.69 60.49 1nd5 s THR 2038Cb -0.27 -2.80 -0.11 0.00 1.34 0.00 0.00 72.50 70.65 1nd5 s THR 2038CO 0.25 0.00 1.67 1.56 -0.54 0.00 0.00 174.62 177.56 1nd5 h GLN 2039N -0.85 -0.36 -0.62 3.99 4.20 -1.96 -2.08 115.11 117.43 1nd5 h GLN 2039Ca -0.41 0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.39 1nd5 h GLN 2039Cb 1.27 0.08 -0.09 0.00 0.30 0.00 0.00 27.48 29.04 1nd5 h GLN 2039CO 0.45 -0.24 -0.51 1.25 -0.67 0.00 0.00 178.83 179.10 1nd5 h LEU 2040N -0.37 -1.80 -1.91 1.46 5.85 -1.94 0.60 115.31 117.19 1nd5 h LEU 2040Ca 0.01 0.25 0.31 0.00 0.84 0.00 0.00 57.88 59.29 1nd5 h LEU 2040Cb 0.36 0.77 -0.05 0.00 0.37 0.00 0.00 40.66 42.11 1nd5 h LEU 2040CO -0.06 -0.29 0.77 1.23 -0.34 0.00 0.00 178.44 179.75 1nd5 h GLY 2041N -0.19 0.16 1.22 3.75 0.00 -1.55 0.52 103.07 106.99 1nd5 h GLY 2041Ca 0.10 -0.03 -0.20 0.00 0.00 0.00 0.00 47.33 47.20 1nd5 h GLY 2041CO -0.68 -0.02 -0.67 -0.33 0.00 0.00 0.00 176.54 174.84 1nd5 h MET 2042N 0.05 0.79 -0.42 4.80 2.86 0.83 -2.28 114.93 121.55 1nd5 h MET 2042Ca 0.53 -0.57 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 1nd5 h MET 2042Cb 2.00 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 33.74 1nd5 h MET 2042CO -0.04 1.19 0.14 0.93 1.06 0.00 0.00 176.91 180.19 1nd5 h GLU 2043N 0.57 0.66 -0.33 1.72 5.08 0.12 0.19 114.58 122.58 1nd5 h GLU 2043Ca -0.02 -0.14 0.07 0.00 -1.00 0.00 0.00 59.36 58.27 1nd5 h GLU 2043Cb 1.28 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.37 1nd5 h GLU 2043CO 0.14 0.64 -0.09 1.96 -1.00 0.00 0.00 179.01 180.65 1nd5 h GLN 2044N 0.54 -0.01 0.00 2.33 4.20 -0.84 0.88 115.11 122.21 1nd5 h GLN 2044Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1nd5 h GLN 2044Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1nd5 h GLN 2044CO -0.01 -0.01 0.00 0.72 -0.67 0.00 0.00 178.83 178.87 1nd5 n HIS 2045N -5.28 0.56 0.09 2.96 8.25 -0.87 -1.05 115.22 119.88 1nd5 n HIS 2045Ca 0.01 0.17 -0.11 0.00 -0.26 0.00 0.00 57.72 57.52 1nd5 n HIS 2045Cb 0.19 -0.77 -0.08 0.00 1.12 0.00 0.00 29.99 30.46 1nd5 n HIS 2045CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1nd5 h TYR 2046N 0.00 0.30 0.04 4.41 3.20 0.14 -2.79 116.97 122.27 1nd5 h TYR 2046Ca 0.00 -0.20 -0.27 0.00 3.14 0.00 0.00 58.73 61.40 1nd5 h TYR 2046Cb 0.63 -0.02 0.02 0.00 1.54 0.00 0.00 36.73 38.90 1nd5 h TYR 2046CO 0.00 1.09 -1.09 1.49 -1.64 0.00 0.00 178.16 178.00 1nd5 h GLU 2047N 0.08 0.67 0.00 1.82 4.22 0.13 -2.99 114.58 118.50 1nd5 h GLU 2047Ca -0.07 -0.77 -0.03 0.00 0.08 0.00 0.00 59.36 58.57 1nd5 h GLU 2047Cb 1.72 0.23 -0.00 0.00 0.50 0.00 0.00 28.75 31.20 1nd5 h GLU 2047CO 0.16 1.34 -0.15 1.25 -2.18 0.00 0.00 179.01 179.43 1nd5 h LEU 2048N 0.33 0.00 -0.15 1.64 7.12 -1.12 -1.16 115.31 121.98 1nd5 h LEU 2048Ca -0.15 0.00 -0.23 0.00 0.13 0.00 0.00 57.88 57.63 1nd5 h LEU 2048Cb 1.75 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.89 1nd5 h LEU 2048CO 0.21 0.15 -0.97 1.23 -0.13 0.00 0.00 178.44 178.94 1nd5 h GLY 2049N 0.70 0.44 2.00 3.75 0.00 -1.49 -0.95 103.07 107.53 1nd5 h GLY 2049Ca -0.00 -0.79 -0.12 0.00 0.00 0.00 0.00 47.33 46.42 1nd5 h GLY 2049CO 0.02 0.70 -0.57 0.83 0.00 0.00 0.00 176.54 177.52 1nd5 h GLU 2050N 0.21 0.00 0.13 4.80 5.08 -1.28 -1.91 114.58 121.61 1nd5 h GLU 2050Ca -0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1nd5 h GLU 2050Cb 1.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.86 1nd5 h GLU 2050CO 0.17 0.57 -0.06 -0.92 -1.00 0.00 0.00 179.01 177.76 1nd5 h TYR 2051N 0.00 -0.16 -1.01 4.33 3.20 -1.13 -2.52 116.97 119.69 1nd5 h TYR 2051Ca -0.01 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 61.98 1nd5 h TYR 2051Cb 1.10 0.05 -0.09 0.00 1.54 0.00 0.00 36.73 39.33 1nd5 h TYR 2051CO 0.00 0.32 0.63 0.82 -1.64 0.00 0.00 178.16 178.29 1nd5 h ILE 2052N -0.77 0.91 -0.57 1.81 2.04 -1.19 -1.31 117.51 118.43 1nd5 h ILE 2052Ca -0.02 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1nd5 h ILE 2052Cb 0.55 -0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 1nd5 h ILE 2052CO 0.03 0.18 0.37 -0.09 0.00 0.00 0.00 178.15 178.64 1nd5 h ARG 2053N 0.99 0.75 -0.10 2.37 2.43 -1.32 -2.09 114.38 117.42 1nd5 h ARG 2053Ca 0.50 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.61 1nd5 h ARG 2053Cb 0.50 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1nd5 h ARG 2053CO -0.27 0.51 0.00 0.87 -1.51 0.00 0.00 179.97 179.57 1nd5 h LYS 2054N 0.77 0.17 -0.75 0.20 1.57 -0.91 0.47 116.57 118.10 1nd5 h LYS 2054Ca 0.21 -0.05 0.12 0.00 -1.87 0.00 0.00 60.65 59.06 1nd5 h LYS 2054Cb -0.08 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.13 1nd5 h LYS 2054CO -0.04 0.43 0.34 -0.09 -0.57 0.00 0.00 179.45 179.52 1nd5 h ARG 2055N -0.10 0.52 -0.37 3.15 2.43 -1.10 -1.69 114.38 117.22 1nd5 h ARG 2055Ca 0.03 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1nd5 h ARG 2055Cb 0.35 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1nd5 h ARG 2055CO 0.00 0.34 0.00 0.66 -1.51 0.00 0.00 179.97 179.47 1nd5 n TYR 2056N -4.92 0.47 0.00 2.20 0.53 -0.80 -4.77 117.16 109.87 1nd5 n TYR 2056Ca 0.13 -0.23 0.00 0.00 -1.02 0.00 0.00 57.90 56.78 1nd5 n TYR 2056Cb 0.36 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.67 1nd5 n TYR 2056CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71 1nd5 n ARG 2057N 1.40 0.00 0.06 -0.72 3.00 0.15 0.33 116.66 120.88 1nd5 n ARG 2057Ca 0.19 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.96 1nd5 n ARG 2057Cb 0.59 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.92 1nd5 n ARG 2057CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.63 179.20 1nd5 h LYS 2058N 0.00 0.03 -0.72 -0.14 2.10 -1.86 -3.34 116.57 112.64 1nd5 h LYS 2058Ca 0.00 -0.04 -0.04 0.00 -2.00 0.00 0.00 60.65 58.57 1nd5 h LYS 2058Cb 0.00 0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 31.31 1nd5 h LYS 2058CO 0.00 1.02 0.30 0.35 -2.00 0.00 0.00 179.45 179.12 1nd5 h PHE 2059N 0.01 1.08 -2.21 0.07 3.57 0.49 -2.89 116.94 117.06 1nd5 h PHE 2059Ca -0.02 -0.08 -0.80 0.00 3.53 0.00 0.00 57.97 60.60 1nd5 h PHE 2059Cb 1.79 -0.33 -0.27 0.00 2.79 0.00 0.00 35.95 39.93 1nd5 h PHE 2059CO 0.01 0.83 1.05 1.28 -2.23 0.00 0.00 178.31 179.24 1nd5 n LEU 2060N -4.37 7.39 -1.67 0.59 7.99 -0.81 -4.87 117.00 121.25 1nd5 n LEU 2060Ca 0.06 -5.32 0.00 0.00 -0.01 0.00 0.00 56.01 50.74 1nd5 n LEU 2060Cb 0.17 -1.16 0.00 0.00 -0.11 0.00 0.00 43.42 42.32 1nd5 n LEU 2060CO 0.40 2.01 0.53 -0.46 -1.51 0.00 0.00 177.39 178.36 1nd5 n ASN 2061N -0.11 2.86 -0.85 -1.43 2.04 -1.09 -4.73 115.26 111.94 1nd5 n ASN 2061Ca 0.48 -1.73 0.00 0.00 -0.44 0.00 0.00 54.58 52.89 1nd5 n ASN 2061Cb 0.26 -0.60 0.00 0.00 -2.53 0.00 0.00 39.78 36.91 1nd5 n ASN 2061CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1nd5 n GLU 2062N 1.65 0.00 -2.55 -3.83 4.71 -1.26 -5.14 120.64 114.22 1nd5 n GLU 2062Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 57.16 56.97 1nd5 n GLU 2062Cb 0.28 0.00 0.07 0.00 -1.01 0.00 0.00 31.44 30.78 1nd5 n GLU 2062CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1nd5 n SER 2063N -0.94 1.59 -4.62 1.62 2.88 -1.26 -4.97 113.62 107.92 1nd5 n SER 2063Ca 0.00 -2.20 -0.46 0.00 -1.33 0.00 0.00 58.87 54.88 1nd5 n SER 2063Cb 0.00 -0.43 -0.04 0.00 -0.75 0.00 0.00 64.21 62.99 1nd5 n SER 2063CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nd5 n TYR 2064N -2.27 2.16 -3.93 0.66 9.36 -1.26 -4.89 117.16 116.98 1nd5 n TYR 2064Ca 0.14 -0.06 -0.31 0.00 3.32 0.00 0.00 57.90 61.00 1nd5 n TYR 2064Cb 0.51 -2.69 -0.15 0.00 -0.63 0.00 0.00 39.34 36.38 1nd5 n TYR 2064CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 1nd5 s LYS 2065N 5.08 1.27 0.60 2.98 2.20 -1.26 -5.00 119.74 125.61 1nd5 s LYS 2065Ca 0.97 -1.54 0.22 0.00 -0.36 0.00 0.00 55.97 55.26 1nd5 s LYS 2065Cb -0.58 -2.77 0.76 0.00 -1.51 0.00 0.00 37.83 33.73 1nd5 s LYS 2065CO 0.46 -0.92 1.23 -2.39 -0.36 0.00 0.00 175.35 173.37 1nd5 n HIS 2066N 4.48 0.00 0.74 4.03 1.44 -1.26 0.31 115.22 124.95 1nd5 n HIS 2066Ca 0.00 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.76 1nd5 n HIS 2066Cb 0.42 -0.22 0.15 0.00 0.12 0.00 0.00 29.99 30.47 1nd5 n HIS 2066CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68 1nd5 n GLU 2067N -3.10 2.02 0.00 -1.40 0.00 -1.26 -3.91 120.64 112.99 1nd5 n GLU 2067Ca 0.20 -1.23 0.00 0.00 0.00 0.00 0.00 57.16 56.13 1nd5 n GLU 2067Cb 1.44 -1.42 0.00 0.00 0.00 0.00 0.00 31.44 31.46 1nd5 n GLU 2067CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 1nd5 n GLN 2068N 0.40 1.58 -4.22 3.44 7.27 0.90 -4.11 117.38 122.65 1nd5 n GLN 2068Ca 0.11 0.00 -0.20 0.00 0.07 0.00 0.00 57.00 56.98 1nd5 n GLN 2068Cb 0.39 -0.94 -0.12 0.00 2.41 0.00 0.00 30.24 31.97 1nd5 n GLN 2068CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1nd5 s VAL 2069N -1.89 1.34 -0.08 1.69 1.01 -1.14 -0.18 120.40 121.15 1nd5 s VAL 2069Ca 0.00 -1.47 -0.03 0.00 0.00 0.00 0.00 61.98 60.48 1nd5 s VAL 2069Cb 0.00 -1.32 0.05 0.00 0.00 0.00 0.00 36.38 35.11 1nd5 s VAL 2069CO 0.00 -0.22 0.16 -0.47 0.00 0.00 0.00 175.10 174.57 1nd5 s TYR 2070N -1.44 -0.19 -0.18 5.22 5.04 -0.68 -4.70 117.35 120.43 1nd5 s TYR 2070Ca 0.03 0.60 -0.00 0.00 -2.44 0.00 0.00 57.07 55.26 1nd5 s TYR 2070Cb -0.09 -0.22 0.00 0.00 0.35 0.00 0.00 41.96 42.01 1nd5 s TYR 2070CO 0.03 -0.26 -0.14 0.42 -1.34 0.00 0.00 175.55 174.26 1nd5 s ILE 2071N 2.09 2.64 -0.09 3.14 1.09 -1.26 -0.07 121.20 128.74 1nd5 s ILE 2071Ca 0.01 -0.76 0.04 0.00 -1.10 0.00 0.00 60.65 58.84 1nd5 s ILE 2071Cb -0.12 -2.13 -0.01 0.00 -1.06 0.00 0.00 42.46 39.14 1nd5 s ILE 2071CO -0.06 0.50 -0.23 -0.60 -0.10 0.00 0.00 174.94 174.46 1nd5 s ARG 2072N 1.09 2.94 0.52 2.79 3.52 1.00 -0.43 118.95 130.38 1nd5 s ARG 2072Ca 0.00 -0.86 0.01 0.00 -0.13 0.00 0.00 55.73 54.75 1nd5 s ARG 2072Cb -0.14 -2.31 -0.00 0.00 -1.56 0.00 0.00 34.95 30.93 1nd5 s ARG 2072CO -0.04 0.25 0.01 0.45 -0.81 0.00 0.00 175.30 175.16 1nd5 s SER 2073N 0.17 4.05 -0.01 -2.12 0.15 0.19 -0.06 113.70 116.07 1nd5 s SER 2073Ca -0.13 -1.70 -0.02 0.00 0.70 0.00 0.00 55.95 54.80 1nd5 s SER 2073Cb -0.16 0.66 -0.04 0.00 -1.71 0.00 0.00 66.02 64.77 1nd5 s SER 2073CO 0.07 -0.92 0.14 0.42 1.20 0.00 0.00 173.24 174.15 1nd5 s THR 2074N -2.93 5.18 -0.42 6.45 -4.23 -1.19 -4.27 115.64 114.24 1nd5 s THR 2074Ca 0.03 -0.23 -0.03 0.00 -1.18 0.00 0.00 61.69 60.28 1nd5 s THR 2074Cb 0.00 -3.40 -0.05 0.00 1.34 0.00 0.00 72.50 70.40 1nd5 s THR 2074CO 0.02 0.35 1.66 -0.67 -0.54 0.00 0.00 174.62 175.44 1nd5 n ASP 2075N 1.08 2.73 -3.91 3.99 2.03 -1.22 -4.29 116.55 116.95 1nd5 n ASP 2075Ca -0.12 -2.10 -0.29 0.00 0.52 0.00 0.00 54.79 52.80 1nd5 n ASP 2075Cb 0.53 -0.77 -0.16 0.00 -0.72 0.00 0.00 41.12 40.00 1nd5 n ASP 2075CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1nd5 s VAL 2076N 3.56 1.25 0.06 5.18 1.01 -1.26 -4.79 120.40 125.41 1nd5 s VAL 2076Ca 0.24 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 1nd5 s VAL 2076Cb 0.08 -1.43 0.04 0.00 0.00 0.00 0.00 36.38 35.06 1nd5 s VAL 2076CO -0.02 0.09 0.44 0.47 0.00 0.00 0.00 175.10 176.09 1nd5 n ASP 2077N 4.82 -0.22 -0.05 3.32 10.43 -1.26 -0.24 116.55 133.33 1nd5 n ASP 2077Ca -0.12 0.50 -0.11 0.00 2.57 0.00 0.00 54.79 57.62 1nd5 n ASP 2077Cb 0.47 -0.10 -0.05 0.00 1.84 0.00 0.00 41.12 43.28 1nd5 n ASP 2077CO 0.00 0.00 0.00 0.08 -1.07 0.00 0.00 177.20 176.21 1nd5 h ARG 2078N 0.00 0.28 -0.03 -1.24 0.11 -1.94 -1.52 114.38 110.03 1nd5 h ARG 2078Ca 0.08 -0.08 0.01 0.00 0.10 0.00 0.00 59.98 60.09 1nd5 h ARG 2078Cb 0.15 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.19 1nd5 h ARG 2078CO -0.28 0.46 -0.04 1.79 0.10 0.00 0.00 179.97 182.00 1nd5 h THR 2079N 0.06 0.89 -0.37 0.08 1.35 -0.92 0.19 112.91 114.20 1nd5 h THR 2079Ca 0.05 0.00 0.08 0.00 -0.55 0.00 0.00 66.41 65.99 1nd5 h THR 2079Cb 0.31 0.89 -0.08 0.00 -1.73 0.00 0.00 68.15 67.55 1nd5 h THR 2079CO 0.00 0.00 -0.14 -0.07 -0.25 0.00 0.00 175.52 175.07 1nd5 h LEU 2080N -0.05 -0.48 -1.38 3.87 3.38 -1.36 0.36 115.31 119.64 1nd5 h LEU 2080Ca 0.03 0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1nd5 h LEU 2080Cb 0.09 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1nd5 h LEU 2080CO -0.07 -0.17 -0.18 0.24 0.09 0.00 0.00 178.44 178.35 1nd5 h MET 2081N -0.06 0.18 -0.08 1.13 2.86 -0.89 -1.92 114.93 116.14 1nd5 h MET 2081Ca 0.18 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 1nd5 h MET 2081Cb 0.34 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 1nd5 h MET 2081CO -0.41 0.37 -0.01 0.77 1.06 0.00 0.00 176.91 178.68 1nd5 h SER 2082N 0.17 0.15 -0.30 1.22 0.02 0.85 -1.39 113.55 114.27 1nd5 h SER 2082Ca 0.03 -0.35 0.05 0.00 -0.84 0.00 0.00 61.79 60.68 1nd5 h SER 2082Cb 0.43 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.88 1nd5 h SER 2082CO 0.03 0.47 -0.00 0.00 -1.14 0.00 0.00 176.83 176.18 1nd5 h ALA 2083N 0.68 0.26 -0.47 3.77 0.00 -0.65 0.23 119.26 123.08 1nd5 h ALA 2083Ca 0.02 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1nd5 h ALA 2083Cb 0.40 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1nd5 h ALA 2083CO 0.01 -0.41 0.04 0.52 0.00 0.00 0.00 179.25 179.40 1nd5 h MET 2084N 0.08 0.80 -0.96 0.00 2.86 -1.39 -0.92 114.93 115.41 1nd5 h MET 2084Ca 0.14 -0.24 0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1nd5 h MET 2084Cb 0.19 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.72 1nd5 h MET 2084CO -0.24 0.84 0.63 1.15 1.06 0.00 0.00 176.91 180.34 1nd5 h THR 2085N 0.66 1.18 0.79 2.22 2.02 -0.72 -1.30 112.91 117.77 1nd5 h THR 2085Ca 0.14 -0.42 -0.04 0.00 0.77 0.00 0.00 66.41 66.86 1nd5 h THR 2085Cb 0.45 -0.16 0.01 0.00 -1.74 0.00 0.00 68.15 66.71 1nd5 h THR 2085CO 0.02 0.23 -0.39 -1.13 0.37 0.00 0.00 175.52 174.62 1nd5 h ASN 2086N 1.23 -0.92 -0.87 4.18 -1.24 -0.14 -2.79 115.58 115.03 1nd5 h ASN 2086Ca 0.38 0.03 0.25 0.00 0.71 0.00 0.00 56.30 57.67 1nd5 h ASN 2086Cb -0.03 0.24 -0.04 0.00 0.73 0.00 0.00 38.32 39.22 1nd5 h ASN 2086CO -0.11 -0.65 0.62 -0.07 -1.29 0.00 0.00 177.43 175.93 1nd5 h LEU 2087N -1.07 0.03 -1.56 0.34 3.38 -1.02 0.83 115.31 116.25 1nd5 h LEU 2087Ca -0.11 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1nd5 h LEU 2087Cb 0.82 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1nd5 h LEU 2087CO 0.17 0.01 0.03 0.00 0.09 0.00 0.00 178.44 178.74 1nd5 h ALA 2088N 1.57 1.65 0.00 1.53 0.00 -0.95 -0.97 119.26 122.10 1nd5 h ALA 2088Ca 0.42 -0.11 -0.30 0.00 0.00 0.00 0.00 54.91 54.92 1nd5 h ALA 2088Cb 1.62 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.26 1nd5 h ALA 2088CO -0.02 0.26 -1.81 0.00 0.00 0.00 0.00 179.25 177.69 1nd5 n ALA 2089N -2.49 1.51 -0.03 0.00 0.00 0.22 -3.40 120.51 116.32 1nd5 n ALA 2089Ca 0.00 -0.85 -0.12 0.00 0.00 0.00 0.00 53.44 52.47 1nd5 n ALA 2089Cb 0.17 -0.75 -0.07 0.00 0.00 0.00 0.00 19.45 18.79 1nd5 n ALA 2089CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1nd5 h LEU 2090N 0.00 0.17 -5.36 0.00 6.46 -1.14 -3.34 115.31 112.10 1nd5 h LEU 2090Ca -0.32 -0.31 -0.63 0.00 -0.12 0.00 0.00 57.88 56.50 1nd5 h LEU 2090Cb 2.04 -0.05 -0.39 0.00 -0.73 0.00 0.00 40.66 41.53 1nd5 h LEU 2090CO 0.07 0.44 -0.33 0.49 -0.62 0.00 0.00 178.44 178.49 1nd5 n PHE 2091N -4.82 3.76 -1.08 1.25 3.01 -0.39 -4.83 117.46 114.37 1nd5 n PHE 2091Ca -0.06 -3.63 -0.34 0.00 1.01 0.00 0.00 57.45 54.43 1nd5 n PHE 2091Cb 0.20 -0.58 0.12 0.00 -0.01 0.00 0.00 39.48 39.20 1nd5 n PHE 2091CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1nd5 n PRO 2092N -0.25 0.11 -1.61 -1.08 -0.04 -1.22 -4.76 135.00 126.15 1nd5 n PRO 2092Ca 0.35 0.11 -0.48 0.00 -0.04 0.00 0.00 63.50 63.44 1nd5 n PRO 2092Cb 0.39 -2.22 -0.04 0.00 -0.04 0.00 0.00 33.50 31.59 1nd5 n PRO 2092CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1nd5 n PRO 2093N -2.54 1.50 0.00 0.54 -0.04 -1.26 -5.00 135.00 128.20 1nd5 n PRO 2093Ca 0.12 0.54 0.00 0.00 -0.04 0.00 0.00 63.50 64.11 1nd5 n PRO 2093Cb 0.51 -2.13 0.00 0.00 -0.04 0.00 0.00 33.50 31.84 1nd5 n PRO 2093CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1nd5 n GLU 2094N 2.16 0.00 0.00 0.54 0.28 -1.26 -4.97 120.64 117.39 1nd5 n GLU 2094Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.15 1nd5 n GLU 2094Cb 0.26 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.13 1nd5 n GLU 2094CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1nd5 n GLY 2095N -0.10 -1.36 0.71 -1.84 0.00 -1.26 -4.52 105.19 96.82 1nd5 n GLY 2095Ca 0.00 -2.15 0.03 0.00 0.00 0.00 0.00 46.02 43.89 1nd5 n GLY 2095CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1nd5 n VAL 2096N -0.06 0.60 -0.03 1.61 3.14 -1.26 -3.31 118.33 119.03 1nd5 n VAL 2096Ca 0.00 -0.36 0.09 0.00 -2.96 0.00 0.00 64.34 61.11 1nd5 n VAL 2096Cb 0.00 -0.21 0.21 0.00 -1.06 0.00 0.00 33.84 32.78 1nd5 n VAL 2096CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1nd5 n SER 2097N 0.16 3.32 0.00 6.55 7.64 -1.26 -4.89 113.62 125.14 1nd5 n SER 2097Ca 0.08 -1.95 0.00 0.00 1.01 0.00 0.00 58.87 58.01 1nd5 n SER 2097Cb 0.39 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 1nd5 n SER 2097CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1nd5 n ILE 2098N 1.18 0.00 0.00 0.44 5.41 -1.21 -4.50 119.36 120.68 1nd5 n ILE 2098Ca 0.17 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.92 1nd5 n ILE 2098Cb 0.53 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.46 1nd5 n ILE 2098CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 176.55 173.88 1nd5 n TRP 2099N 0.00 0.00 -2.73 1.39 4.27 -1.26 -4.94 117.44 114.17 1nd5 n TRP 2099Ca 0.00 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.18 1nd5 n TRP 2099Cb 0.00 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 29.92 1nd5 n TRP 2099CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 1nd5 s ASN 2100N 0.00 6.80 0.00 -0.67 3.84 -1.26 -4.92 114.94 118.73 1nd5 s ASN 2100Ca 0.00 0.83 0.00 0.00 0.21 0.00 0.00 52.86 53.90 1nd5 s ASN 2100Cb 0.00 -2.50 0.00 0.00 -0.55 0.00 0.00 41.25 38.20 1nd5 s ASN 2100CO 0.00 -0.85 0.32 -2.65 -2.79 0.00 0.00 177.10 171.13 1nd5 n PRO 2101N 6.79 0.00 0.00 0.43 -0.02 -1.26 -3.43 135.00 137.51 1nd5 n PRO 2101Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1nd5 n PRO 2101Cb 0.48 -1.33 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 1nd5 n PRO 2101CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1nd5 n ILE 2102N -0.82 0.00 -2.84 4.25 -5.35 -1.26 -4.96 119.36 108.38 1nd5 n ILE 2102Ca 0.00 0.00 -0.37 0.00 -0.27 0.00 0.00 62.75 62.11 1nd5 n ILE 2102Cb 0.00 0.00 -0.00 0.00 -1.74 0.00 0.00 39.64 37.90 1nd5 n ILE 2102CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 1nd5 n LEU 2103N -0.78 6.26 -4.76 7.28 0.00 -1.22 -5.05 117.00 118.73 1nd5 n LEU 2103Ca 0.00 -5.43 -0.40 0.00 0.00 0.00 0.00 56.01 50.18 1nd5 n LEU 2103Cb 0.00 -1.02 0.01 0.00 0.00 0.00 0.00 43.42 42.42 1nd5 n LEU 2103CO 0.00 2.05 1.07 0.18 0.00 0.00 0.00 177.39 180.69 1nd5 n LEU 2104N 0.24 4.93 0.00 -1.96 4.77 -1.23 -4.54 117.00 119.21 1nd5 n LEU 2104Ca 0.38 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.51 1nd5 n LEU 2104Cb 0.31 -1.60 0.00 0.00 -2.33 0.00 0.00 43.42 39.81 1nd5 n LEU 2104CO 0.51 -0.11 0.00 1.87 -1.33 0.00 0.00 177.39 178.33 1nd5 n TRP 2105N -0.03 0.00 -4.17 -1.77 -0.00 -1.26 -4.71 117.44 105.50 1nd5 n TRP 2105Ca 0.04 0.00 -0.28 0.00 -0.00 0.00 0.00 57.50 57.26 1nd5 n TRP 2105Cb 0.40 0.00 -0.17 0.00 -0.00 0.00 0.00 31.31 31.55 1nd5 n TRP 2105CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 177.69 176.55 1nd5 s GLN 2106N -2.33 2.02 -0.26 5.87 0.74 -1.26 -4.58 119.66 119.86 1nd5 s GLN 2106Ca 0.00 -0.47 -0.28 0.00 0.05 0.00 0.00 55.36 54.66 1nd5 s GLN 2106Cb 0.00 -1.84 -0.03 0.00 1.10 0.00 0.00 33.01 32.23 1nd5 s GLN 2106CO 0.00 -0.17 1.97 -1.25 -0.55 0.00 0.00 175.29 175.29 1nd5 s PRO 2107N 1.33 3.30 -0.21 1.67 0.04 -1.26 -4.97 135.00 134.90 1nd5 s PRO 2107Ca -0.00 1.74 -0.13 0.00 0.04 0.00 0.00 61.00 62.65 1nd5 s PRO 2107Cb -0.14 -4.26 -0.05 0.00 0.04 0.00 0.00 34.50 30.10 1nd5 s PRO 2107CO -0.06 -1.90 0.25 0.42 0.04 0.00 0.00 177.00 175.75 1nd5 s ILE 2108N 7.32 5.31 0.29 0.56 1.01 -1.26 -5.06 121.20 129.37 1nd5 s ILE 2108Ca 0.89 0.41 -0.29 0.00 0.00 0.00 0.00 60.65 61.65 1nd5 s ILE 2108Cb -0.28 -3.59 -0.10 0.00 0.01 0.00 0.00 42.46 38.50 1nd5 s ILE 2108CO 0.34 0.33 1.41 -2.16 0.00 0.00 0.00 174.94 174.87 1nd5 s PRO 2109N 0.95 4.27 -0.28 2.79 0.04 -1.26 -5.00 135.00 136.50 1nd5 s PRO 2109Ca 0.13 2.33 0.03 0.00 0.04 0.00 0.00 61.00 63.52 1nd5 s PRO 2109Cb -0.13 -3.07 0.07 0.00 0.04 0.00 0.00 34.50 31.40 1nd5 s PRO 2109CO 0.05 -0.37 -0.06 0.08 0.04 0.00 0.00 177.00 176.73 1nd5 s VAL 2110N -0.51 2.22 0.62 -0.36 1.01 -1.26 -4.36 120.40 117.75 1nd5 s VAL 2110Ca 0.55 -1.84 -0.13 0.00 0.00 0.00 0.00 61.98 60.57 1nd5 s VAL 2110Cb -0.42 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 1nd5 s VAL 2110CO 0.49 -0.20 1.03 -1.00 0.00 0.00 0.00 175.10 175.43 1nd5 s HIS 2111N 1.05 3.37 -0.04 5.22 3.76 0.43 -4.84 115.29 124.24 1nd5 s HIS 2111Ca -0.03 1.39 -0.29 0.00 -0.15 0.00 0.00 55.06 55.98 1nd5 s HIS 2111Cb -0.20 -2.81 0.10 0.00 1.11 0.00 0.00 32.58 30.77 1nd5 s HIS 2111CO -0.06 -0.83 0.81 -0.08 -0.85 0.00 0.00 174.74 173.73 1nd5 s THR 2112N -2.94 0.00 0.06 1.30 -1.32 -1.26 -0.64 115.64 110.84 1nd5 s THR 2112Ca 0.58 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 61.14 1nd5 s THR 2112Cb -0.12 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.83 1nd5 s THR 2112CO 0.48 0.00 -0.21 -0.69 -2.21 0.00 0.00 174.62 171.99 1nd5 s VAL 2113N -2.09 2.59 0.19 5.08 1.01 -1.26 -4.96 120.40 120.95 1nd5 s VAL 2113Ca -0.02 -1.33 -0.31 0.00 0.00 0.00 0.00 61.98 60.32 1nd5 s VAL 2113Cb -0.01 -2.09 -0.10 0.00 0.00 0.00 0.00 36.38 34.19 1nd5 s VAL 2113CO -0.01 0.29 1.51 -2.16 0.00 0.00 0.00 175.10 174.73 1nd5 s PRO 2114N -1.53 4.24 0.14 2.72 0.04 -1.26 -3.44 135.00 135.90 1nd5 s PRO 2114Ca 0.14 2.32 -0.10 0.00 0.04 0.00 0.00 61.00 63.40 1nd5 s PRO 2114Cb -0.10 -3.15 0.15 0.00 0.04 0.00 0.00 34.50 31.44 1nd5 s PRO 2114CO 0.05 -0.54 0.92 1.28 0.04 0.00 0.00 177.00 178.76 1nd5 n LEU 2115N 3.47 -0.38 0.07 -3.56 4.77 -1.26 0.12 117.00 120.24 1nd5 n LEU 2115Ca 0.11 1.04 0.04 0.00 -0.03 0.00 0.00 56.01 57.17 1nd5 n LEU 2115Cb 0.39 -0.24 0.19 0.00 -2.33 0.00 0.00 43.42 41.43 1nd5 n LEU 2115CO 0.61 -0.93 0.64 -1.54 -1.33 0.00 0.00 177.39 174.83 1nd5 n SER 2116N -4.88 0.18 0.00 -1.43 3.41 -1.26 -1.89 113.62 107.75 1nd5 n SER 2116Ca 0.06 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 1nd5 n SER 2116Cb 0.24 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 1nd5 n SER 2116CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1nd5 n GLU 2117N -1.69 0.75 -2.16 4.33 1.02 0.32 -5.03 120.64 118.18 1nd5 n GLU 2117Ca -0.00 -0.72 -0.43 0.00 -0.02 0.00 0.00 57.16 55.99 1nd5 n GLU 2117Cb 0.19 -0.75 -0.02 0.00 -0.02 0.00 0.00 31.44 30.84 1nd5 n GLU 2117CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1nd5 s ASP 2118N -0.31 6.66 -0.39 1.62 -1.08 -0.79 -4.87 116.67 117.51 1nd5 s ASP 2118Ca 0.00 1.90 0.06 0.00 -0.52 0.00 0.00 52.55 53.98 1nd5 s ASP 2118Cb 0.00 -2.53 0.56 0.00 -1.46 0.00 0.00 42.92 39.48 1nd5 s ASP 2118CO 0.00 -0.97 1.67 0.00 0.52 0.00 0.00 175.17 176.39 1nd5 n GLN 2119N 7.14 2.19 0.00 4.34 6.02 -1.26 -4.62 117.38 131.19 1nd5 n GLN 2119Ca 0.17 -3.21 0.00 0.00 -0.01 0.00 0.00 57.00 53.95 1nd5 n GLN 2119Cb 0.44 -2.03 0.00 0.00 1.02 0.00 0.00 30.24 29.67 1nd5 n GLN 2119CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1nd5 n LEU 2120N -1.09 0.00 0.00 1.08 0.00 -1.26 -4.91 117.00 110.83 1nd5 n LEU 2120Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.48 1nd5 n LEU 2120Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.64 1nd5 n LEU 2120CO 0.42 0.00 -0.47 0.18 0.00 0.00 0.00 177.39 177.52 1nd5 n LEU 2121N -0.38 2.33 -3.75 -1.96 4.77 -1.26 -4.60 117.00 112.16 1nd5 n LEU 2121Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 1nd5 n LEU 2121Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1nd5 n LEU 2121CO 0.00 0.39 2.36 0.00 -1.33 0.00 0.00 177.39 178.80 1nd5 n TYR 2122N -2.35 2.79 -2.77 -1.77 -0.00 -1.26 -4.63 117.16 107.17 1nd5 n TYR 2122Ca 0.00 -2.38 -0.32 0.00 -0.00 0.00 0.00 57.90 55.20 1nd5 n TYR 2122Cb 0.47 -2.17 -0.04 0.00 -0.00 0.00 0.00 39.34 37.59 1nd5 n TYR 2122CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1nd5 s LEU 2123N 2.12 3.83 0.04 2.98 1.02 -1.26 -4.15 118.68 123.26 1nd5 s LEU 2123Ca 0.53 1.38 -0.19 0.00 0.02 0.00 0.00 54.13 55.87 1nd5 s LEU 2123Cb 0.13 -4.25 -0.06 0.00 0.02 0.00 0.00 46.19 42.03 1nd5 s LEU 2123CO 0.02 -0.41 0.54 -2.16 0.02 0.00 0.00 176.35 174.36 1nd5 s PRO 2124N -3.64 4.17 0.39 1.29 0.04 -1.26 -4.75 135.00 131.24 1nd5 s PRO 2124Ca 0.56 0.67 -0.27 0.00 0.04 0.00 0.00 61.00 62.00 1nd5 s PRO 2124Cb -0.10 -3.25 -0.11 0.00 0.04 0.00 0.00 34.50 31.08 1nd5 s PRO 2124CO 0.26 0.60 1.34 1.19 0.04 0.00 0.00 177.00 180.43 1nd5 n PHE 2125N 1.92 2.44 -0.16 0.56 3.72 -1.26 -4.88 117.46 119.80 1nd5 n PHE 2125Ca -0.10 0.50 0.00 0.00 -0.05 0.00 0.00 57.45 57.79 1nd5 n PHE 2125Cb 0.51 -2.43 0.00 0.00 -0.94 0.00 0.00 39.48 36.62 1nd5 n PHE 2125CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1nd5 n ARG 2126N 0.28 1.59 -1.37 -1.08 1.74 -1.26 -4.67 116.66 111.90 1nd5 n ARG 2126Ca 0.05 -0.22 -0.25 0.00 -0.77 0.00 0.00 57.85 56.65 1nd5 n ARG 2126Cb 0.38 -0.67 -0.04 0.00 -1.02 0.00 0.00 32.46 31.11 1nd5 n ARG 2126CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1nd5 n ASN 2127N -0.29 6.44 -3.49 0.55 0.23 -1.26 -4.60 115.26 112.83 1nd5 n ASN 2127Ca 0.00 -3.16 -0.27 0.00 -0.53 0.00 0.00 54.58 50.62 1nd5 n ASN 2127Cb 0.04 -1.21 -0.11 0.00 -2.08 0.00 0.00 39.78 36.43 1nd5 n ASN 2127CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1nd5 n PRO 2129N 2.77 -0.05 -0.12 0.00 -0.02 -1.17 0.61 135.00 137.02 1nd5 n PRO 2129Ca 0.27 0.86 -0.08 0.00 -2.02 0.00 0.00 63.50 62.52 1nd5 n PRO 2129Cb 0.45 -1.30 -0.00 0.00 -0.02 0.00 0.00 33.50 32.62 1nd5 n PRO 2129CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1nd5 h ARG 2130N 0.00 0.51 -0.82 -0.52 9.65 -0.92 -1.94 114.38 120.34 1nd5 h ARG 2130Ca 0.28 -0.04 0.13 0.00 -1.10 0.00 0.00 59.98 59.25 1nd5 h ARG 2130Cb 0.48 -0.11 -0.06 0.00 -1.39 0.00 0.00 29.97 28.89 1nd5 h ARG 2130CO -0.56 0.37 0.54 0.35 2.80 0.00 0.00 179.97 183.47 1nd5 h PHE 2131N 0.50 0.72 -0.54 2.20 3.57 -0.10 -0.18 116.94 123.11 1nd5 h PHE 2131Ca 0.14 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1nd5 h PHE 2131Cb -0.01 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.47 1nd5 h PHE 2131CO -0.04 0.29 0.27 1.96 -2.23 0.00 0.00 178.31 178.56 1nd5 h GLN 2132N 0.63 0.78 -0.73 1.11 1.08 -1.15 0.18 115.11 117.00 1nd5 h GLN 2132Ca 0.40 -0.11 -0.02 0.00 -1.45 0.00 0.00 58.65 57.47 1nd5 h GLN 2132Cb 0.67 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.92 1nd5 h GLN 2132CO -0.16 0.63 0.37 0.93 -0.95 0.00 0.00 178.83 179.65 1nd5 h GLU 2133N 0.73 1.02 -0.34 1.46 5.08 -0.74 -1.11 114.58 120.68 1nd5 h GLU 2133Ca 0.19 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 1nd5 h GLU 2133Cb 0.10 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1nd5 h GLU 2133CO -0.03 0.77 -0.21 -0.07 -1.00 0.00 0.00 179.01 178.48 1nd5 h LEU 2134N 1.03 0.65 0.63 1.33 3.38 -0.47 -2.05 115.31 119.81 1nd5 h LEU 2134Ca 0.26 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1nd5 h LEU 2134Cb 0.06 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1nd5 h LEU 2134CO -0.04 0.85 -0.47 -0.33 0.09 0.00 0.00 178.44 178.54 1nd5 h GLU 2135N 0.57 -1.03 0.18 1.13 4.39 0.55 -1.97 114.58 118.40 1nd5 h GLU 2135Ca 0.09 0.07 0.01 0.00 0.34 0.00 0.00 59.36 59.87 1nd5 h GLU 2135Cb 0.67 0.23 -0.04 0.00 -0.10 0.00 0.00 28.75 29.51 1nd5 h GLU 2135CO 0.05 -0.69 -0.42 0.66 -1.16 0.00 0.00 179.01 177.45 1nd5 h SER 2136N -1.07 -1.22 -0.99 1.42 4.64 -1.31 -1.70 113.55 113.31 1nd5 h SER 2136Ca -0.08 0.13 0.27 0.00 -0.47 0.00 0.00 61.79 61.64 1nd5 h SER 2136Cb 0.89 0.45 -0.13 0.00 -0.31 0.00 0.00 62.40 63.29 1nd5 h SER 2136CO 0.03 -0.51 0.56 -0.33 -0.87 0.00 0.00 176.83 175.72 1nd5 h GLU 2137N -0.69 0.47 -0.92 4.77 5.08 -1.33 0.65 114.58 122.61 1nd5 h GLU 2137Ca 0.01 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1nd5 h GLU 2137Cb 0.70 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 1nd5 h GLU 2137CO -0.21 0.31 0.61 1.15 -1.00 0.00 0.00 179.01 179.87 1nd5 h THR 2138N 0.48 1.22 0.00 1.13 2.02 -0.51 -1.93 112.91 115.32 1nd5 h THR 2138Ca 0.67 -0.42 -0.06 0.00 0.77 0.00 0.00 66.41 67.37 1nd5 h THR 2138Cb 1.35 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1nd5 h THR 2138CO -0.52 0.22 -0.27 -0.07 0.37 0.00 0.00 175.52 175.25 1nd5 h LEU 2139N 1.23 0.00 -2.30 2.58 4.07 0.53 -3.06 115.31 118.35 1nd5 h LEU 2139Ca 0.34 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.30 1nd5 h LEU 2139Cb -0.11 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.63 1nd5 h LEU 2139CO -0.08 0.27 0.00 0.29 -1.08 0.00 0.00 178.44 177.83 1nd5 n LYS 2140N -3.25 2.64 -3.16 1.13 5.02 -0.50 -4.58 118.16 115.47 1nd5 n LYS 2140Ca 0.02 -2.18 -0.27 0.00 -2.02 0.00 0.00 58.31 53.86 1nd5 n LYS 2140Cb 0.56 -1.56 -0.02 0.00 -0.02 0.00 0.00 35.03 33.99 1nd5 n LYS 2140CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1nd5 s SER 2141N -0.94 6.35 0.06 4.39 1.04 -0.80 -5.00 113.70 118.79 1nd5 s SER 2141Ca 0.40 0.70 -0.37 0.00 0.48 0.00 0.00 55.95 57.16 1nd5 s SER 2141Cb 0.22 -2.14 -0.20 0.00 0.10 0.00 0.00 66.02 64.00 1nd5 s SER 2141CO 0.25 -0.33 1.53 -0.33 0.98 0.00 0.00 173.24 175.33 1nd5 h GLU 2142N 0.98 -1.25 -0.71 4.02 5.08 -1.91 -2.45 114.58 118.34 1nd5 h GLU 2142Ca -0.48 0.09 0.06 0.00 -1.00 0.00 0.00 59.36 58.03 1nd5 h GLU 2142Cb 1.20 0.28 -0.08 0.00 0.50 0.00 0.00 28.75 30.65 1nd5 h GLU 2142CO 0.63 -0.83 -0.42 -1.91 -1.00 0.00 0.00 179.01 175.48 1nd5 n GLU 2143N -5.64 -0.31 0.17 2.33 4.07 -1.26 0.21 120.64 120.21 1nd5 n GLU 2143Ca -0.16 1.18 -0.09 0.00 -0.06 0.00 0.00 57.16 58.03 1nd5 n GLU 2143Cb 0.51 -1.73 -0.04 0.00 -0.06 0.00 0.00 31.44 30.11 1nd5 n GLU 2143CO 0.00 0.00 0.00 0.35 -0.06 0.00 0.00 177.13 177.42 1nd5 h PHE 2144N 0.00 -0.62 -0.87 4.31 3.57 -1.78 -0.74 116.94 120.81 1nd5 h PHE 2144Ca 0.11 -0.00 0.23 0.00 3.53 0.00 0.00 57.97 61.84 1nd5 h PHE 2144Cb 0.29 0.23 -0.14 0.00 2.79 0.00 0.00 35.95 39.12 1nd5 h PHE 2144CO -0.83 -0.32 0.20 1.96 -2.23 0.00 0.00 178.31 177.09 1nd5 h GLN 2145N -0.51 0.18 -0.67 1.11 1.08 -0.83 1.19 115.11 116.66 1nd5 h GLN 2145Ca -0.04 -0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.24 1nd5 h GLN 2145Cb 0.42 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.77 1nd5 h GLN 2145CO 0.01 0.12 0.45 -0.22 -0.95 0.00 0.00 178.83 178.24 1nd5 h LYS 2146N 0.18 0.53 0.21 1.46 1.63 0.29 -1.39 116.57 119.49 1nd5 h LYS 2146Ca 0.54 -0.03 -0.28 0.00 -0.85 0.00 0.00 60.65 60.03 1nd5 h LYS 2146Cb 1.08 -0.12 0.03 0.00 -0.60 0.00 0.00 32.23 32.63 1nd5 h LYS 2146CO -0.67 0.35 -1.24 0.00 -3.45 0.00 0.00 179.45 174.44 1nd5 h ARG 2147N 0.54 0.45 0.65 1.90 3.08 0.29 -3.39 114.38 117.91 1nd5 h ARG 2147Ca 0.31 -0.77 -0.03 0.00 0.07 0.00 0.00 59.98 59.56 1nd5 h ARG 2147Cb 0.49 0.29 0.01 0.00 0.08 0.00 0.00 29.97 30.83 1nd5 h ARG 2147CO -0.10 1.37 -0.31 1.25 -1.07 0.00 0.00 179.97 181.11 1nd5 h LEU 2148N -0.05 -0.74 0.00 3.04 5.85 -0.75 -3.38 115.31 119.28 1nd5 h LEU 2148Ca -0.22 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.50 1nd5 h LEU 2148Cb 1.97 0.19 0.00 0.00 0.37 0.00 0.00 40.66 43.19 1nd5 h LEU 2148CO 0.23 -0.37 0.00 1.57 -0.34 0.00 0.00 178.44 179.53 1nd5 n HIS 2149N -5.37 0.00 -0.33 1.25 -0.00 -0.55 0.28 115.22 110.50 1nd5 n HIS 2149Ca -0.12 0.00 0.17 0.00 0.46 0.00 0.00 57.72 58.24 1nd5 n HIS 2149Cb 0.36 -0.23 0.41 0.00 -0.12 0.00 0.00 29.99 30.40 1nd5 n HIS 2149CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1nd5 h PRO 2150N 0.00 0.57 -0.00 1.57 0.11 -1.84 -0.71 132.00 131.69 1nd5 h PRO 2150Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1nd5 h PRO 2150Cb 0.00 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 30.98 1nd5 h PRO 2150CO 0.00 0.38 -0.02 0.66 -0.21 0.00 0.00 178.00 178.81 1nd5 n TYR 2151N -4.72 0.00 0.32 0.65 4.02 0.14 -3.98 117.16 113.58 1nd5 n TYR 2151Ca 0.24 0.00 0.19 0.00 -0.01 0.00 0.00 57.90 58.33 1nd5 n TYR 2151Cb 0.71 -0.09 1.08 0.00 -0.02 0.00 0.00 39.34 41.02 1nd5 n TYR 2151CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1nd5 h LYS 2152N 0.37 0.00 0.19 -0.72 1.57 -1.24 0.45 116.57 117.21 1nd5 h LYS 2152Ca 0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 1nd5 h LYS 2152Cb 0.18 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.50 1nd5 h LYS 2152CO 0.00 0.00 -1.73 -0.44 -0.57 0.00 0.00 179.45 176.71 1nd5 h ASP 2153N 0.00 0.64 -0.05 0.86 5.19 -1.78 -3.24 116.42 118.04 1nd5 h ASP 2153Ca -0.00 -0.92 -0.10 0.00 -0.62 0.00 0.00 57.03 55.38 1nd5 h ASP 2153Cb 0.01 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.30 1nd5 h ASP 2153CO 0.00 1.78 -0.28 0.15 -3.12 0.00 0.00 179.24 177.76 1nd5 h PHE 2154N 0.11 0.56 -0.04 4.55 3.57 -1.38 -3.08 116.94 121.23 1nd5 h PHE 2154Ca -0.34 -0.13 -0.19 0.00 3.53 0.00 0.00 57.97 60.85 1nd5 h PHE 2154Cb 2.11 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 40.71 1nd5 h PHE 2154CO 0.10 0.73 -0.78 0.82 -2.23 0.00 0.00 178.31 176.96 1nd5 h ILE 2155N 0.43 1.41 -0.77 1.41 2.04 -0.31 -2.24 117.51 119.48 1nd5 h ILE 2155Ca 0.06 -2.29 -0.03 0.00 1.00 0.00 0.00 64.86 63.60 1nd5 h ILE 2155Cb 0.72 2.23 -0.04 0.00 -0.74 0.00 0.00 36.82 39.00 1nd5 h ILE 2155CO 0.06 0.68 0.35 0.00 0.00 0.00 0.00 178.15 179.24 1nd5 h ALA 2156N 0.96 1.16 0.00 1.87 0.00 -1.56 -1.57 119.26 120.12 1nd5 h ALA 2156Ca -0.04 -0.16 -0.25 0.00 0.00 0.00 0.00 54.91 54.46 1nd5 h ALA 2156Cb 1.37 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 1nd5 h ALA 2156CO 0.13 0.62 -1.45 1.79 0.00 0.00 0.00 179.25 180.35 1nd5 h THR 2157N 1.11 1.05 0.00 0.00 1.35 -1.61 -3.22 112.91 111.59 1nd5 h THR 2157Ca 0.26 -2.82 -0.01 0.00 -0.55 0.00 0.00 66.41 63.30 1nd5 h THR 2157Cb 0.14 2.50 -0.00 0.00 -1.73 0.00 0.00 68.15 69.06 1nd5 h THR 2157CO -0.03 0.60 -0.03 0.25 -0.25 0.00 0.00 175.52 176.06 1nd5 h LEU 2158N 0.00 0.00 0.14 3.87 7.12 -1.16 -2.37 115.31 122.91 1nd5 h LEU 2158Ca -0.19 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.81 1nd5 h LEU 2158Cb 1.89 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 42.02 1nd5 h LEU 2158CO 0.09 0.03 -0.07 1.23 -0.13 0.00 0.00 178.44 179.59 1nd5 h GLY 2159N 0.76 -0.20 1.78 3.75 0.00 -1.29 -3.02 103.07 104.85 1nd5 h GLY 2159Ca -0.00 0.07 -0.15 0.00 0.00 0.00 0.00 47.33 47.26 1nd5 h GLY 2159CO 0.00 -0.07 -0.61 1.70 0.00 0.00 0.00 176.54 177.56 1nd5 h LYS 2160N -0.19 0.22 0.00 4.80 3.64 -1.60 -1.39 116.57 122.05 1nd5 h LYS 2160Ca -0.02 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.18 1nd5 h LYS 2160Cb 0.15 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1nd5 h LYS 2160CO 0.03 0.77 -0.12 -0.07 -2.27 0.00 0.00 179.45 177.79 1nd5 h LEU 2161N 0.16 0.00 0.00 5.20 3.38 -1.45 -3.12 115.31 119.48 1nd5 h LEU 2161Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1nd5 h LEU 2161Cb 1.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1nd5 h LEU 2161CO 0.09 0.12 -1.64 -1.54 0.09 0.00 0.00 178.44 175.57 1nd5 n SER 2162N -4.01 1.97 0.00 -0.43 3.41 -1.15 -4.89 113.62 108.53 1nd5 n SER 2162Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1nd5 n SER 2162Cb 0.21 1.50 0.00 0.00 -0.26 0.00 0.00 64.21 65.65 1nd5 n SER 2162CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nd5 n GLY 2163N 1.81 0.71 3.61 5.00 0.00 -0.58 -2.15 105.19 113.60 1nd5 n GLY 2163Ca -0.05 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 1nd5 n GLY 2163CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nd5 s LEU 2164N 0.00 3.98 -0.50 0.99 0.20 -0.89 -4.71 118.68 117.74 1nd5 s LEU 2164Ca 0.00 0.04 0.07 0.00 0.69 0.00 0.00 54.13 54.93 1nd5 s LEU 2164Cb 0.00 -2.07 0.27 0.00 -0.43 0.00 0.00 46.19 43.96 1nd5 s LEU 2164CO 0.00 0.04 0.68 1.41 -0.29 0.00 0.00 176.35 178.19 1nd5 n HIS 2165N 4.47 1.63 -3.56 5.38 8.25 -1.26 -4.22 115.22 125.91 1nd5 n HIS 2165Ca -0.15 -3.86 -0.26 0.00 -0.26 0.00 0.00 57.72 53.19 1nd5 n HIS 2165Cb 0.52 -0.45 -0.15 0.00 1.12 0.00 0.00 29.99 31.03 1nd5 n HIS 2165CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1nd5 s GLY 2166N -2.07 0.34 -0.36 -1.41 0.00 -1.26 -5.05 107.32 97.51 1nd5 s GLY 2166Ca 0.39 -0.56 -0.19 0.00 0.00 0.00 0.00 44.72 44.36 1nd5 s GLY 2166CO -0.07 1.95 1.48 -0.18 0.00 0.00 0.00 173.10 176.28 1nd5 n GLN 2167N 5.27 0.03 -3.41 2.90 -0.06 -1.26 -4.73 117.38 116.13 1nd5 n GLN 2167Ca -0.06 -0.89 -0.13 0.00 -2.00 0.00 0.00 57.00 53.91 1nd5 n GLN 2167Cb 0.46 -2.47 -0.10 0.00 -4.06 0.00 0.00 30.24 24.07 1nd5 n GLN 2167CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1nd5 s ASP 2168N 5.61 0.82 0.21 1.69 2.15 -1.26 -5.02 116.67 120.86 1nd5 s ASP 2168Ca 0.49 -0.06 -0.14 0.00 0.43 0.00 0.00 52.55 53.28 1nd5 s ASP 2168Cb 0.03 0.78 0.24 0.00 -0.30 0.00 0.00 42.92 43.67 1nd5 s ASP 2168CO 0.18 -0.32 1.62 0.25 -0.17 0.00 0.00 175.17 176.73 1nd5 h LEU 2169N 8.24 -0.64 -0.32 -1.34 6.46 -1.96 -1.41 115.31 124.34 1nd5 h LEU 2169Ca -0.18 0.20 0.06 0.00 -0.12 0.00 0.00 57.88 57.84 1nd5 h LEU 2169Cb 1.15 0.42 -0.08 0.00 -0.73 0.00 0.00 40.66 41.41 1nd5 h LEU 2169CO 0.28 -0.22 -0.42 0.15 -0.62 0.00 0.00 178.44 177.61 1nd5 h PHE 2170N -0.01 -1.21 -0.38 1.25 3.57 -1.93 -1.52 116.94 116.71 1nd5 h PHE 2170Ca 0.31 0.06 0.11 0.00 3.53 0.00 0.00 57.97 61.98 1nd5 h PHE 2170Cb 0.48 0.58 -0.02 0.00 2.79 0.00 0.00 35.95 39.78 1nd5 h PHE 2170CO -0.54 -0.45 0.49 0.78 -2.23 0.00 0.00 178.31 176.36 1nd5 h GLY 2171N -0.37 0.00 1.68 2.40 0.00 -1.60 0.30 103.07 105.47 1nd5 h GLY 2171Ca 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.27 1nd5 h GLY 2171CO -0.51 0.00 -0.73 -2.22 0.00 0.00 0.00 176.54 173.08 1nd5 h ILE 2172N 0.00 1.40 0.23 2.60 1.08 -1.18 -0.43 117.51 121.21 1nd5 h ILE 2172Ca 0.18 -2.20 -0.01 0.00 -0.39 0.00 0.00 64.86 62.44 1nd5 h ILE 2172Cb 1.15 2.16 0.00 0.00 -3.07 0.00 0.00 36.82 37.06 1nd5 h ILE 2172CO -0.00 0.65 -0.11 -0.25 -0.69 0.00 0.00 178.15 177.75 1nd5 h TRP 2173N 0.21 -0.28 0.16 1.37 7.01 -0.39 0.63 115.95 124.66 1nd5 h TRP 2173Ca -0.03 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 60.96 1nd5 h TRP 2173Cb 1.29 0.09 0.00 0.00 -2.10 0.00 0.00 29.16 28.45 1nd5 h TRP 2173CO 0.03 -0.07 -0.08 0.66 -2.79 0.00 0.00 178.44 176.20 1nd5 h SER 2174N -1.04 -0.18 0.77 2.65 4.64 -1.35 -1.24 113.55 117.80 1nd5 h SER 2174Ca -0.03 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1nd5 h SER 2174Cb 0.35 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1nd5 h SER 2174CO 0.05 0.15 -0.12 0.29 -0.87 0.00 0.00 176.83 176.33 1nd5 n LYS 2175N -5.04 0.12 0.00 4.77 4.76 -0.17 -4.41 118.16 118.19 1nd5 n LYS 2175Ca -0.09 -0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 1nd5 n LYS 2175Cb 0.22 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.91 1nd5 n LYS 2175CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1nd5 n VAL 2176N -1.41 0.00 -0.18 -0.18 0.31 -1.01 -1.86 118.33 114.00 1nd5 n VAL 2176Ca 0.08 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.33 1nd5 n VAL 2176Cb 0.32 -0.25 -0.03 0.00 -0.91 0.00 0.00 33.84 32.96 1nd5 n VAL 2176CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1nd5 h TYR 2177N 0.00 -1.23 -0.59 3.52 3.20 -0.89 -2.09 116.97 118.88 1nd5 h TYR 2177Ca 0.00 0.08 0.09 0.00 3.14 0.00 0.00 58.73 62.04 1nd5 h TYR 2177Cb 0.00 0.61 -0.07 0.00 1.54 0.00 0.00 36.73 38.81 1nd5 h TYR 2177CO 0.00 -0.42 0.20 0.22 -1.64 0.00 0.00 178.16 176.52 1nd5 h ASP 2178N -0.25 0.17 0.13 -2.11 3.58 -1.46 0.13 116.42 116.62 1nd5 h ASP 2178Ca 0.17 0.08 0.01 0.00 0.42 0.00 0.00 57.03 57.71 1nd5 h ASP 2178Cb 0.57 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.68 1nd5 h ASP 2178CO -0.66 0.11 -0.14 -0.65 -2.88 0.00 0.00 179.24 175.02 1nd5 h PRO 2179N 0.37 -0.30 0.41 0.28 0.11 -1.61 0.51 132.00 131.78 1nd5 h PRO 2179Ca 0.30 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.42 1nd5 h PRO 2179Cb 0.38 0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.54 1nd5 h PRO 2179CO -0.32 -0.20 -0.34 -0.07 -0.21 0.00 0.00 178.00 176.87 1nd5 h LEU 2180N -0.31 -0.89 -0.57 2.35 3.38 -1.07 0.37 115.31 118.58 1nd5 h LEU 2180Ca 0.01 0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.16 1nd5 h LEU 2180Cb 0.30 0.29 -0.11 0.00 0.09 0.00 0.00 40.66 41.23 1nd5 h LEU 2180CO -0.05 -0.50 -0.18 0.22 0.09 0.00 0.00 178.44 178.03 1nd5 h TYR 2181N -0.75 -0.42 0.16 1.13 3.20 -0.60 0.91 116.97 120.59 1nd5 h TYR 2181Ca -0.04 0.05 0.01 0.00 3.14 0.00 0.00 58.73 61.89 1nd5 h TYR 2181Cb 0.65 0.27 -0.02 0.00 1.54 0.00 0.00 36.73 39.18 1nd5 h TYR 2181CO -0.16 -0.28 -0.18 0.00 -1.64 0.00 0.00 178.16 175.90 1nd5 h GLU 2183N -0.38 0.27 -0.15 0.00 5.08 0.20 -1.49 114.58 118.11 1nd5 h GLU 2183Ca 0.01 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1nd5 h GLU 2183Cb 0.37 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1nd5 h GLU 2183CO -0.06 0.18 0.04 0.66 -1.00 0.00 0.00 179.01 178.83 1nd5 h SER 2184N 0.27 0.22 -0.85 1.42 4.64 0.12 -2.41 113.55 116.97 1nd5 h SER 2184Ca 0.39 -0.22 0.20 0.00 -0.47 0.00 0.00 61.79 61.68 1nd5 h SER 2184Cb 0.65 -0.06 -0.16 0.00 -0.31 0.00 0.00 62.40 62.53 1nd5 h SER 2184CO -0.48 0.39 -0.08 0.58 -0.87 0.00 0.00 176.83 176.37 1nd5 h VAL 2185N 0.05 0.18 -1.19 0.95 2.07 -0.05 0.15 116.25 118.40 1nd5 h VAL 2185Ca 0.05 -0.01 -0.56 0.00 0.82 0.00 0.00 66.70 66.99 1nd5 h VAL 2185Cb 0.25 0.14 -0.21 0.00 -1.52 0.00 0.00 31.29 29.95 1nd5 h VAL 2185CO 0.00 0.01 0.63 1.41 0.02 0.00 0.00 177.57 179.64 1nd5 n HIS 2186N -5.46 2.15 -3.44 1.57 8.25 -0.98 -4.91 115.22 112.39 1nd5 n HIS 2186Ca 0.16 -2.18 -0.16 0.00 -0.26 0.00 0.00 57.72 55.28 1nd5 n HIS 2186Cb 0.53 -1.27 -0.04 0.00 1.12 0.00 0.00 29.99 30.33 1nd5 n HIS 2186CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1nd5 n ASN 2187N 0.20 -0.00 -4.51 0.41 3.02 0.52 -4.91 115.26 109.99 1nd5 n ASN 2187Ca 0.49 -0.59 -0.42 0.00 -0.03 0.00 0.00 54.58 54.03 1nd5 n ASN 2187Cb 0.49 -0.72 -0.09 0.00 -0.61 0.00 0.00 39.78 38.84 1nd5 n ASN 2187CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1nd5 s PHE 2188N -3.77 3.21 -0.37 3.10 0.08 -0.93 -5.01 117.98 114.29 1nd5 s PHE 2188Ca 0.04 -0.28 -0.42 0.00 0.12 0.00 0.00 56.93 56.39 1nd5 s PHE 2188Cb -0.02 -2.68 -0.17 0.00 -0.57 0.00 0.00 43.02 39.57 1nd5 s PHE 2188CO 0.45 -0.53 1.78 -2.37 -0.10 0.00 0.00 175.22 174.45 1nd5 n THR 2189N 5.26 0.18 -2.37 0.64 5.66 -1.26 -4.59 114.28 117.80 1nd5 n THR 2189Ca -0.10 -0.05 -0.24 0.00 -3.05 0.00 0.00 64.05 60.61 1nd5 n THR 2189Cb 0.48 -0.98 0.07 0.00 -1.55 0.00 0.00 70.33 68.35 1nd5 n THR 2189CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1nd5 s LEU 2190N 3.94 2.97 0.79 1.09 1.43 -1.26 -5.04 118.68 122.59 1nd5 s LEU 2190Ca 1.03 0.21 -0.13 0.00 -1.03 0.00 0.00 54.13 54.21 1nd5 s LEU 2190Cb -1.22 -2.86 0.07 0.00 0.03 0.00 0.00 46.19 42.21 1nd5 s LEU 2190CO 0.69 -1.55 1.19 -2.16 0.23 0.00 0.00 176.35 174.75 1nd5 s PRO 2191N -5.12 1.79 0.45 1.29 0.04 -1.26 -4.90 135.00 127.29 1nd5 s PRO 2191Ca 0.61 1.68 0.14 0.00 0.04 0.00 0.00 61.00 63.46 1nd5 s PRO 2191Cb -0.10 -1.80 1.02 0.00 0.04 0.00 0.00 34.50 33.66 1nd5 s PRO 2191CO 0.43 -2.08 2.01 0.66 0.04 0.00 0.00 177.00 178.05 1nd5 h SER 2192N -0.83 0.02 1.04 6.66 4.64 -2.02 -0.62 113.55 122.45 1nd5 h SER 2192Ca -0.46 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1nd5 h SER 2192Cb 1.29 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1nd5 h SER 2192CO 0.47 0.18 0.00 -2.67 -0.87 0.00 0.00 176.83 173.94 1nd5 n TRP 2193N -4.35 0.15 -0.62 4.77 4.27 -1.26 -3.95 117.44 116.44 1nd5 n TRP 2193Ca -0.02 0.04 -0.06 0.00 -3.89 0.00 0.00 57.50 53.57 1nd5 n TRP 2193Cb 0.22 -0.57 -0.08 0.00 -1.36 0.00 0.00 31.31 29.52 1nd5 n TRP 2193CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1nd5 n ALA 2194N -1.55 4.48 -1.78 -1.67 0.00 -0.24 -4.70 120.51 115.06 1nd5 n ALA 2194Ca 0.07 -0.87 -0.37 0.00 0.00 0.00 0.00 53.44 52.27 1nd5 n ALA 2194Cb 0.34 -1.89 -0.04 0.00 0.00 0.00 0.00 19.45 17.86 1nd5 n ALA 2194CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1nd5 s THR 2195N 1.08 3.64 0.19 0.00 -4.23 -1.25 -4.75 115.64 110.31 1nd5 s THR 2195Ca 0.32 1.28 -0.04 0.00 -1.18 0.00 0.00 61.69 62.08 1nd5 s THR 2195Cb 0.15 -3.68 0.30 0.00 1.34 0.00 0.00 72.50 70.61 1nd5 s THR 2195CO 0.00 0.04 1.03 1.21 -0.54 0.00 0.00 174.62 176.35 1nd5 n GLU 2196N 0.00 -0.06 -0.18 3.99 2.13 -1.26 0.51 120.64 125.78 1nd5 n GLU 2196Ca 0.05 1.01 -0.06 0.00 0.66 0.00 0.00 57.16 58.82 1nd5 n GLU 2196Cb 0.49 -1.54 0.03 0.00 0.27 0.00 0.00 31.44 30.69 1nd5 n GLU 2196CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1nd5 h ASP 2197N 0.00 0.57 -0.27 4.31 3.45 -1.95 0.27 116.42 122.80 1nd5 h ASP 2197Ca 0.34 -0.01 0.02 0.00 0.43 0.00 0.00 57.03 57.81 1nd5 h ASP 2197Cb 0.56 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 39.18 1nd5 h ASP 2197CO -0.66 0.41 0.12 0.74 -1.57 0.00 0.00 179.24 178.28 1nd5 h THR 2198N 0.69 0.97 -0.78 0.35 2.02 -0.22 0.12 112.91 116.05 1nd5 h THR 2198Ca 0.20 -0.09 0.09 0.00 0.77 0.00 0.00 66.41 67.38 1nd5 h THR 2198Cb -0.04 0.68 -0.07 0.00 -1.74 0.00 0.00 68.15 66.99 1nd5 h THR 2198CO -0.06 0.05 0.44 0.24 0.37 0.00 0.00 175.52 176.55 1nd5 h MET 2199N 0.26 0.72 -0.11 6.66 2.86 -0.58 0.28 114.93 125.03 1nd5 h MET 2199Ca 0.12 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1nd5 h MET 2199Cb 0.05 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.55 1nd5 h MET 2199CO -0.09 0.48 0.02 1.15 1.06 0.00 0.00 176.91 179.52 1nd5 h THR 2200N 0.74 1.20 0.00 2.22 2.02 0.59 -0.54 112.91 119.15 1nd5 h THR 2200Ca 0.38 -0.63 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 1nd5 h THR 2200Cb 0.34 1.42 -0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1nd5 h THR 2200CO -0.24 0.18 -0.11 0.11 0.37 0.00 0.00 175.52 175.83 1nd5 h LYS 2201N -0.04 0.00 -0.01 6.66 1.57 -0.36 -0.36 116.57 124.04 1nd5 h LYS 2201Ca 0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1nd5 h LYS 2201Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1nd5 h LYS 2201CO 0.00 0.11 -0.02 -0.07 -0.57 0.00 0.00 179.45 178.90 1nd5 h LEU 2202N 0.00 0.03 -1.22 2.94 3.38 0.06 -2.52 115.31 117.99 1nd5 h LEU 2202Ca -0.00 -0.65 -0.03 0.00 0.09 0.00 0.00 57.88 57.29 1nd5 h LEU 2202Cb 0.33 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1nd5 h LEU 2202CO 0.01 0.68 0.18 -0.09 0.09 0.00 0.00 178.44 179.32 1nd5 h ARG 2203N -0.61 0.73 0.13 1.13 2.43 -0.71 -1.55 114.38 115.92 1nd5 h ARG 2203Ca -0.00 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 1nd5 h ARG 2203Cb 0.68 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1nd5 h ARG 2203CO 0.01 0.61 -0.06 0.93 -1.51 0.00 0.00 179.97 179.95 1nd5 h GLU 2204N 0.72 -0.17 0.00 0.20 5.08 -1.10 0.10 114.58 119.42 1nd5 h GLU 2204Ca 0.17 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1nd5 h GLU 2204Cb 0.17 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1nd5 h GLU 2204CO -0.01 -0.01 -0.05 -0.07 -1.00 0.00 0.00 179.01 177.86 1nd5 h LEU 2205N -0.29 0.00 -0.32 1.33 3.38 -1.21 0.87 115.31 119.07 1nd5 h LEU 2205Ca -0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1nd5 h LEU 2205Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1nd5 h LEU 2205CO 0.03 0.05 -0.18 0.28 0.09 0.00 0.00 178.44 178.71 1nd5 h SER 2206N 0.00 0.72 -0.67 -0.43 0.02 -0.70 0.15 113.55 112.65 1nd5 h SER 2206Ca -0.00 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1nd5 h SER 2206Cb 0.10 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 1nd5 h SER 2206CO 0.01 0.98 0.43 -0.33 -1.14 0.00 0.00 176.83 176.78 1nd5 h GLU 2207N 0.46 0.89 -0.64 3.45 5.08 0.73 -0.68 114.58 123.87 1nd5 h GLU 2207Ca 0.07 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1nd5 h GLU 2207Cb 0.72 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 1nd5 h GLU 2207CO 0.05 0.60 0.39 1.25 -1.00 0.00 0.00 179.01 180.31 1nd5 h LEU 2208N 0.90 0.65 -0.68 1.33 5.85 -0.59 0.55 115.31 123.32 1nd5 h LEU 2208Ca 0.24 0.00 0.05 0.00 0.84 0.00 0.00 57.88 59.01 1nd5 h LEU 2208Cb -0.08 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.76 1nd5 h LEU 2208CO -0.05 0.45 0.40 -1.28 -0.34 0.00 0.00 178.44 177.62 1nd5 h SER 2209N 0.78 0.62 -0.01 1.25 0.87 0.61 -0.50 113.55 117.17 1nd5 h SER 2209Ca 0.26 0.02 -0.23 0.00 -1.23 0.00 0.00 61.79 60.60 1nd5 h SER 2209Cb 0.02 -0.11 0.02 0.00 -0.44 0.00 0.00 62.40 61.88 1nd5 h SER 2209CO -0.10 0.42 -0.90 0.25 -0.53 0.00 0.00 176.83 175.96 1nd5 h LEU 2210N 0.76 0.81 -0.02 2.23 5.85 -0.63 -3.13 115.31 121.18 1nd5 h LEU 2210Ca 0.29 -0.74 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1nd5 h LEU 2210Cb 0.11 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.89 1nd5 h LEU 2210CO -0.15 1.44 0.00 -0.11 -0.34 0.00 0.00 178.44 179.28 1nd5 n LEU 2211N -3.97 0.02 -0.06 2.25 -0.00 0.19 -1.04 117.00 114.39 1nd5 n LEU 2211Ca -0.11 0.51 0.10 0.00 -0.00 0.00 0.00 56.01 56.50 1nd5 n LEU 2211Cb 0.81 -0.50 -0.10 0.00 -0.00 0.00 0.00 43.42 43.63 1nd5 n LEU 2211CO 0.53 -0.33 -0.00 -1.54 -0.00 0.00 0.00 177.39 176.05 1nd5 n SER 2212N -1.52 1.08 0.07 1.96 3.41 -0.23 -2.55 113.62 115.83 1nd5 n SER 2212Ca 0.02 -1.04 -0.21 0.00 -0.26 0.00 0.00 58.87 57.38 1nd5 n SER 2212Cb 0.12 0.93 -0.13 0.00 -0.26 0.00 0.00 64.21 64.87 1nd5 n SER 2212CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1nd5 h LEU 2213N 0.30 0.77 0.00 1.04 6.46 -1.04 -3.41 115.31 119.44 1nd5 h LEU 2213Ca 0.00 -0.83 -0.15 0.00 -0.12 0.00 0.00 57.88 56.78 1nd5 h LEU 2213Cb 0.50 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 40.16 1nd5 h LEU 2213CO 0.00 1.52 -1.58 -1.22 -0.62 0.00 0.00 178.44 176.54 1nd5 n TYR 2214N -3.91 0.00 -2.07 1.25 0.53 -1.20 -4.99 117.16 106.76 1nd5 n TYR 2214Ca -0.13 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.75 1nd5 n TYR 2214Cb 0.91 -0.41 0.00 0.00 -1.03 0.00 0.00 39.34 38.81 1nd5 n TYR 2214CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1nd5 n GLY 2215N 2.61 4.78 5.77 2.72 0.00 -1.06 -4.35 105.19 115.66 1nd5 n GLY 2215Ca -0.15 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 43.96 1nd5 n GLY 2215CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1nd5 n ILE 2216N 0.00 0.00 -3.81 -0.61 2.08 -1.26 -4.64 119.36 111.13 1nd5 n ILE 2216Ca 0.00 0.00 -0.36 0.00 0.56 0.00 0.00 62.75 62.95 1nd5 n ILE 2216Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 39.64 38.83 1nd5 n ILE 2216CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 1nd5 s HIS 2217N 0.00 3.60 -1.04 1.39 2.46 -1.26 -4.61 115.29 115.83 1nd5 s HIS 2217Ca 0.00 0.56 -0.03 0.00 0.47 0.00 0.00 55.06 56.06 1nd5 s HIS 2217Cb 0.00 -1.97 0.03 0.00 -0.13 0.00 0.00 32.58 30.51 1nd5 s HIS 2217CO 0.00 0.68 0.08 1.63 -2.47 0.00 0.00 174.74 174.66 1nd5 n LYS 2218N 1.57 -0.93 -0.35 2.88 4.01 -1.26 -4.82 118.16 119.26 1nd5 n LYS 2218Ca -0.16 0.06 0.14 0.00 -0.51 0.00 0.00 58.31 57.85 1nd5 n LYS 2218Cb 0.54 -2.45 0.33 0.00 -0.51 0.00 0.00 35.03 32.94 1nd5 n LYS 2218CO 0.00 0.00 0.00 0.37 -1.11 0.00 0.00 177.40 176.66 1nd5 h GLN 2219N -0.75 0.68 -0.43 1.97 4.15 -1.82 -1.70 115.11 117.23 1nd5 h GLN 2219Ca -0.42 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 58.90 1nd5 h GLN 2219Cb 0.90 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.42 1nd5 h GLN 2219CO 0.48 0.45 0.03 0.87 -1.93 0.00 0.00 178.83 178.73 1nd5 h LYS 2220N 0.71 0.74 -0.01 1.69 6.56 -1.87 -2.08 116.57 122.30 1nd5 h LYS 2220Ca 0.59 -0.22 -0.21 0.00 -1.06 0.00 0.00 60.65 59.75 1nd5 h LYS 2220Cb 0.98 -0.07 -0.00 0.00 -0.57 0.00 0.00 32.23 32.56 1nd5 h LYS 2220CO -0.41 0.80 -0.88 1.49 -2.06 0.00 0.00 179.45 178.38 1nd5 h GLU 2221N 0.58 0.32 -0.99 3.15 4.81 -1.78 -0.52 114.58 120.15 1nd5 h GLU 2221Ca 0.12 -0.33 0.02 0.00 -0.13 0.00 0.00 59.36 59.05 1nd5 h GLU 2221Cb 0.45 0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.86 1nd5 h GLU 2221CO 0.02 1.02 0.65 0.87 -0.73 0.00 0.00 179.01 180.84 1nd5 h LYS 2222N 0.18 1.26 -0.22 1.92 1.57 -1.31 -1.76 116.57 118.21 1nd5 h LYS 2222Ca -0.06 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 1nd5 h LYS 2222Cb 1.50 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 1nd5 h LYS 2222CO 0.14 0.83 0.03 0.77 -0.57 0.00 0.00 179.45 180.66 1nd5 h SER 2223N 1.30 0.36 -0.85 0.86 0.02 -1.09 -2.07 113.55 112.07 1nd5 h SER 2223Ca 0.38 -0.27 0.25 0.00 -0.84 0.00 0.00 61.79 61.31 1nd5 h SER 2223Cb -0.07 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 1nd5 h SER 2223CO -0.10 0.54 0.72 0.03 -1.14 0.00 0.00 176.83 176.87 1nd5 h ARG 2224N 0.17 0.00 -0.39 3.45 3.08 -0.22 0.30 114.38 120.76 1nd5 h ARG 2224Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1nd5 h ARG 2224Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1nd5 h ARG 2224CO 0.01 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.19 1nd5 n LEU 2225N -3.94 3.08 0.00 3.04 4.77 -0.86 -3.73 117.00 119.36 1nd5 n LEU 2225Ca 0.18 -1.81 0.00 0.00 -0.03 0.00 0.00 56.01 54.35 1nd5 n LEU 2225Cb 1.01 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 1nd5 n LEU 2225CO 0.34 0.74 0.00 0.00 -1.33 0.00 0.00 177.39 177.14 1nd5 n GLN 2226N 0.89 0.00 -0.23 3.23 1.13 0.04 -4.70 117.38 117.73 1nd5 n GLN 2226Ca 0.15 0.00 0.03 0.00 -1.94 0.00 0.00 57.00 55.24 1nd5 n GLN 2226Cb 0.47 0.00 0.15 0.00 0.11 0.00 0.00 30.24 30.97 1nd5 n GLN 2226CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1nd5 h GLY 2227N 0.00 0.97 -1.07 1.08 0.00 -1.73 -2.65 103.07 99.67 1nd5 h GLY 2227Ca 0.00 -0.09 0.43 0.00 0.00 0.00 0.00 47.33 47.66 1nd5 h GLY 2227CO 0.00 -0.10 0.81 -1.33 0.00 0.00 0.00 176.54 175.92 1nd5 h GLY 2228N 0.36 1.42 0.83 4.60 0.00 -1.53 0.35 103.07 109.11 1nd5 h GLY 2228Ca 0.37 -0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.59 1nd5 h GLY 2228CO -0.40 -0.44 -0.06 -2.08 0.00 0.00 0.00 176.54 173.56 1nd5 h VAL 2229N 0.09 0.84 -0.14 4.60 2.07 -1.69 0.23 116.25 122.25 1nd5 h VAL 2229Ca 0.82 0.00 0.01 0.00 0.82 0.00 0.00 66.70 68.35 1nd5 h VAL 2229Cb 2.50 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 33.10 1nd5 h VAL 2229CO -0.46 0.00 0.05 0.25 0.02 0.00 0.00 177.57 177.43 1nd5 h LEU 2230N -0.11 0.05 -0.67 2.57 6.46 -0.49 0.45 115.31 123.57 1nd5 h LEU 2230Ca 0.03 0.01 0.13 0.00 -0.12 0.00 0.00 57.88 57.93 1nd5 h LEU 2230Cb 0.14 0.01 -0.09 0.00 -0.73 0.00 0.00 40.66 39.99 1nd5 h LEU 2230CO -0.07 0.05 0.19 0.58 -0.62 0.00 0.00 178.44 178.57 1nd5 h VAL 2231N 0.11 0.63 -0.41 1.05 2.07 -0.94 0.18 116.25 118.93 1nd5 h VAL 2231Ca 0.06 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 1nd5 h VAL 2231Cb 0.04 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 1nd5 h VAL 2231CO -0.06 0.06 0.12 -1.13 0.02 0.00 0.00 177.57 176.57 1nd5 h ASN 2232N 0.32 0.61 -0.25 0.57 -0.73 0.03 0.22 115.58 116.36 1nd5 h ASN 2232Ca 0.36 -0.21 0.06 0.00 1.87 0.00 0.00 56.30 58.38 1nd5 h ASN 2232Cb 0.55 -0.16 -0.06 0.00 0.27 0.00 0.00 38.32 38.92 1nd5 h ASN 2232CO -0.42 0.67 -0.14 -0.08 -0.37 0.00 0.00 177.43 177.08 1nd5 h GLU 2233N 0.53 -0.12 -0.23 6.67 4.57 0.76 -1.29 114.58 125.47 1nd5 h GLU 2233Ca 0.13 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.27 1nd5 h GLU 2233Cb 0.28 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 1nd5 h GLU 2233CO -0.00 -0.08 -0.06 0.82 -1.18 0.00 0.00 179.01 178.51 1nd5 h ILE 2234N -0.12 1.29 -0.95 2.32 2.04 -0.94 -2.63 117.51 118.52 1nd5 h ILE 2234Ca 0.14 -1.06 0.14 0.00 1.00 0.00 0.00 64.86 65.08 1nd5 h ILE 2234Cb 0.33 1.52 -0.08 0.00 -0.74 0.00 0.00 36.82 37.84 1nd5 h ILE 2234CO -0.32 0.33 0.60 0.25 0.00 0.00 0.00 178.15 179.00 1nd5 h LEU 2235N 0.17 0.77 -0.33 1.44 7.12 -0.61 -0.47 115.31 123.40 1nd5 h LEU 2235Ca 0.06 0.05 -0.18 0.00 0.13 0.00 0.00 57.88 57.93 1nd5 h LEU 2235Cb 0.52 -0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 40.52 1nd5 h LEU 2235CO 0.02 0.39 -0.84 0.78 -0.13 0.00 0.00 178.44 178.66 1nd5 h ASN 2236N 0.81 0.09 -0.49 1.25 2.35 -1.16 -1.85 115.58 116.58 1nd5 h ASN 2236Ca 0.48 -0.08 -0.13 0.00 -0.55 0.00 0.00 56.30 56.02 1nd5 h ASN 2236Cb 0.65 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 1nd5 h ASN 2236CO -0.24 0.89 -0.19 0.45 -1.65 0.00 0.00 177.43 176.68 1nd5 h HIS 2237N 0.04 1.14 -0.59 1.19 3.86 -0.85 0.13 115.15 120.07 1nd5 h HIS 2237Ca -0.02 -0.27 -0.09 0.00 -1.16 0.00 0.00 60.37 58.83 1nd5 h HIS 2237Cb 1.47 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 29.65 1nd5 h HIS 2237CO 0.01 1.09 0.03 0.52 0.86 0.00 0.00 177.93 180.44 1nd5 h MET 2238N 0.87 1.02 0.09 2.45 2.86 -1.09 0.17 114.93 121.30 1nd5 h MET 2238Ca 0.12 -0.31 -0.00 0.00 -2.06 0.00 0.00 59.70 57.44 1nd5 h MET 2238Cb 0.77 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.33 1nd5 h MET 2238CO 0.06 1.00 -0.04 0.87 1.06 0.00 0.00 176.91 179.86 1nd5 h LYS 2239N 0.92 -0.11 -0.01 1.72 1.79 -1.07 -2.40 116.57 117.40 1nd5 h LYS 2239Ca 0.17 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.63 1nd5 h LYS 2239Cb 0.52 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.19 1nd5 h LYS 2239CO 0.02 0.03 -0.06 0.00 -1.08 0.00 0.00 179.45 178.36 1nd5 h ARG 2240N -0.23 0.01 0.00 3.15 3.08 -0.56 -1.69 114.38 118.15 1nd5 h ARG 2240Ca -0.01 -0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 1nd5 h ARG 2240Cb 0.19 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1nd5 h ARG 2240CO 0.02 0.07 -0.28 0.00 -1.07 0.00 0.00 179.97 178.71 1nd5 h ALA 2241N 1.93 1.52 0.00 0.04 0.00 -0.17 0.98 119.26 123.56 1nd5 h ALA 2241Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1nd5 h ALA 2241Cb 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1nd5 h ALA 2241CO 0.01 0.35 -0.20 1.79 0.00 0.00 0.00 179.25 181.19 1nd5 h THR 2242N 0.00 0.00 0.00 0.00 1.35 -0.91 -3.30 112.91 110.06 1nd5 h THR 2242Ca -0.00 -0.83 -0.07 0.00 -0.55 0.00 0.00 66.41 64.96 1nd5 h THR 2242Cb 0.50 1.72 -0.01 0.00 -1.73 0.00 0.00 68.15 68.63 1nd5 h THR 2242CO 0.04 0.00 -1.77 0.00 -0.25 0.00 0.00 175.52 173.54 1nd5 n GLN 2243N -2.76 0.65 -3.97 4.72 6.02 -0.76 -4.83 117.38 116.45 1nd5 n GLN 2243Ca 0.04 -0.06 -0.34 0.00 -0.01 0.00 0.00 57.00 56.63 1nd5 n GLN 2243Cb 0.50 -1.62 -0.14 0.00 1.02 0.00 0.00 30.24 30.00 1nd5 n GLN 2243CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1nd5 s ILE 2244N -3.29 2.64 0.21 5.09 1.01 0.27 -4.99 121.20 122.14 1nd5 s ILE 2244Ca -0.06 -1.62 -0.09 0.00 0.00 0.00 0.00 60.65 58.88 1nd5 s ILE 2244Cb 0.11 -2.59 0.15 0.00 0.01 0.00 0.00 42.46 40.14 1nd5 s ILE 2244CO 0.86 -0.17 1.78 -0.65 0.00 0.00 0.00 174.94 176.77 1nd5 h PRO 2245N 7.88 0.57 -0.93 2.79 0.11 -1.88 -1.95 132.00 138.59 1nd5 h PRO 2245Ca -0.18 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.85 1nd5 h PRO 2245Cb 1.05 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.00 1nd5 h PRO 2245CO 0.52 0.38 0.06 -1.13 -0.21 0.00 0.00 178.00 177.61 1nd5 n SER 2246N -4.86 2.57 -4.67 -2.05 3.41 -1.26 -4.95 113.62 101.80 1nd5 n SER 2246Ca 0.09 -2.30 -0.30 0.00 -0.26 0.00 0.00 58.87 56.10 1nd5 n SER 2246Cb 0.22 -0.56 0.16 0.00 -0.26 0.00 0.00 64.21 63.77 1nd5 n SER 2246CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1nd5 s TYR 2247N -1.22 2.05 0.32 7.33 6.14 -0.73 -4.93 117.35 126.31 1nd5 s TYR 2247Ca 0.14 1.36 -0.29 0.00 0.64 0.00 0.00 57.07 58.92 1nd5 s TYR 2247Cb 0.11 -3.17 -0.11 0.00 0.42 0.00 0.00 41.96 39.20 1nd5 s TYR 2247CO 0.04 -2.68 1.57 0.15 0.64 0.00 0.00 175.55 175.27 1nd5 s LYS 2248N -4.80 4.11 0.05 4.97 1.02 -1.26 -4.84 119.74 118.99 1nd5 s LYS 2248Ca 0.65 2.59 -0.15 0.00 0.02 0.00 0.00 55.97 59.07 1nd5 s LYS 2248Cb -0.20 -3.00 -0.30 0.00 -0.52 0.00 0.00 37.83 33.80 1nd5 s LYS 2248CO 0.58 -0.61 1.08 0.87 -0.92 0.00 0.00 175.35 176.36 1nd5 h LYS 2249N 4.31 0.62 -3.07 1.68 1.79 -0.80 -3.46 116.57 117.63 1nd5 h LYS 2249Ca -0.48 -0.86 -0.19 0.00 -2.18 0.00 0.00 60.65 56.94 1nd5 h LYS 2249Cb 1.23 0.29 -0.29 0.00 -1.58 0.00 0.00 32.23 31.88 1nd5 h LYS 2249CO 0.75 1.40 -0.48 -1.17 -1.08 0.00 0.00 179.45 178.86 1nd5 s LEU 2250N -7.82 0.59 -0.11 2.94 2.96 -0.60 -1.76 118.68 114.88 1nd5 s LEU 2250Ca -0.09 0.50 0.03 0.00 -0.22 0.00 0.00 54.13 54.34 1nd5 s LEU 2250Cb 0.05 0.72 0.01 0.00 0.50 0.00 0.00 46.19 47.47 1nd5 s LEU 2250CO 0.94 -0.14 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.99 1nd5 s ILE 2251N 0.99 1.87 -0.10 6.68 1.01 -1.00 -1.68 121.20 128.97 1nd5 s ILE 2251Ca -0.07 -0.89 -0.00 0.00 0.00 0.00 0.00 60.65 59.69 1nd5 s ILE 2251Cb -0.08 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.72 1nd5 s ILE 2251CO -0.06 0.52 -0.07 -0.04 0.00 0.00 0.00 174.94 175.28 1nd5 s MET 2252N 0.61 3.11 -0.25 2.79 -1.94 0.90 -1.57 119.30 122.96 1nd5 s MET 2252Ca -0.13 -0.57 -0.00 0.00 -1.71 0.00 0.00 55.69 53.28 1nd5 s MET 2252Cb -0.17 -2.68 0.04 0.00 2.01 0.00 0.00 34.83 34.03 1nd5 s MET 2252CO 0.04 0.46 -0.08 0.71 -0.01 0.00 0.00 175.02 176.14 1nd5 s TYR 2253N -0.27 3.11 -0.38 -0.03 1.51 0.35 -0.00 117.35 121.63 1nd5 s TYR 2253Ca 0.04 -1.81 -0.18 0.00 -1.01 0.00 0.00 57.07 54.11 1nd5 s TYR 2253Cb -0.13 -2.01 0.01 0.00 -0.11 0.00 0.00 41.96 39.72 1nd5 s TYR 2253CO 0.03 -0.79 0.49 0.45 -1.11 0.00 0.00 175.55 174.62 1nd5 s SER 2254N 1.25 6.26 0.00 2.29 0.15 0.92 -2.31 113.70 122.26 1nd5 s SER 2254Ca -0.02 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.34 1nd5 s SER 2254Cb -0.17 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 1nd5 s SER 2254CO -0.05 -0.54 0.00 0.00 1.20 0.00 0.00 173.24 173.85 1nd5 n ALA 2255N 5.74 0.00 -2.53 5.45 0.00 0.14 -3.15 120.51 126.15 1nd5 n ALA 2255Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.14 1nd5 n ALA 2255Cb 0.48 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.83 1nd5 n ALA 2255CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1nd5 s HIS 2256N 1.32 2.18 0.51 0.00 3.76 -1.26 -2.33 115.29 119.47 1nd5 s HIS 2256Ca 0.00 -0.85 0.30 0.00 -0.15 0.00 0.00 55.06 54.35 1nd5 s HIS 2256Cb 0.00 -1.49 1.69 0.00 1.11 0.00 0.00 32.58 33.88 1nd5 s HIS 2256CO 0.00 0.18 2.18 0.38 -0.85 0.00 0.00 174.74 176.63 1nd5 h ASP 2257N 1.93 0.00 0.96 1.40 3.04 -1.93 0.26 116.42 122.07 1nd5 h ASP 2257Ca -0.42 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.37 1nd5 h ASP 2257Cb 1.25 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.54 1nd5 h ASP 2257CO 0.74 0.05 0.00 0.35 -2.04 0.00 0.00 179.24 178.34 1nd5 n THR 2258N -3.71 0.49 -0.04 1.15 -2.24 -1.26 -1.40 114.28 107.27 1nd5 n THR 2258Ca -0.02 0.02 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 1nd5 n THR 2258Cb 0.15 -0.73 -0.14 0.00 -2.10 0.00 0.00 70.33 67.51 1nd5 n THR 2258CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1nd5 n THR 2259N -1.79 1.62 0.17 4.28 -1.04 0.82 -3.08 114.28 115.26 1nd5 n THR 2259Ca 0.05 -0.71 -0.11 0.00 -2.04 0.00 0.00 64.05 61.24 1nd5 n THR 2259Cb 0.31 -1.28 -0.06 0.00 -1.82 0.00 0.00 70.33 67.48 1nd5 n THR 2259CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1nd5 h VAL 2260N 0.03 0.33 -0.72 12.58 2.07 -1.15 -1.33 116.25 128.06 1nd5 h VAL 2260Ca -0.44 -0.69 0.03 0.00 0.82 0.00 0.00 66.70 66.43 1nd5 h VAL 2260Cb 2.04 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 32.29 1nd5 h VAL 2260CO 0.04 0.07 0.45 0.77 0.02 0.00 0.00 177.57 178.93 1nd5 h SER 2261N -1.02 0.75 0.11 0.57 4.64 -1.45 0.45 113.55 117.59 1nd5 h SER 2261Ca -0.05 -0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1nd5 h SER 2261Cb 0.51 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 1nd5 h SER 2261CO 0.08 0.52 -0.19 1.23 -0.87 0.00 0.00 176.83 177.61 1nd5 h GLY 2262N 0.89 -0.34 0.92 -0.77 0.00 -1.59 1.04 103.07 103.23 1nd5 h GLY 2262Ca 0.28 0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.81 1nd5 h GLY 2262CO -0.10 -0.18 -0.26 -2.00 0.00 0.00 0.00 176.54 174.00 1nd5 h LEU 2263N -0.36 -0.65 -0.78 3.11 5.85 -0.88 -1.44 115.31 120.16 1nd5 h LEU 2263Ca 0.02 0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.88 1nd5 h LEU 2263Cb 0.38 0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.51 1nd5 h LEU 2263CO -0.10 -0.42 0.41 1.56 -0.34 0.00 0.00 178.44 179.55 1nd5 h GLN 2264N -0.68 0.66 -0.29 1.25 4.20 -0.73 -1.79 115.11 117.72 1nd5 h GLN 2264Ca -0.06 -0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.65 1nd5 h GLN 2264Cb 0.55 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.14 1nd5 h GLN 2264CO 0.07 0.43 0.06 0.52 -0.67 0.00 0.00 178.83 179.25 1nd5 h MET 2265N 0.68 0.17 -0.81 1.46 2.86 0.15 0.83 114.93 120.26 1nd5 h MET 2265Ca 0.39 -0.01 0.06 0.00 -2.06 0.00 0.00 59.70 58.08 1nd5 h MET 2265Cb 0.43 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.00 1nd5 h MET 2265CO -0.28 0.11 0.53 0.00 1.06 0.00 0.00 176.91 178.33 1nd5 h ALA 2266N 1.21 1.59 0.00 6.32 0.00 -0.48 0.05 119.26 127.95 1nd5 h ALA 2266Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1nd5 h ALA 2266Cb 0.14 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1nd5 h ALA 2266CO -0.17 0.30 -0.18 1.28 0.00 0.00 0.00 179.25 180.47 1nd5 n LEU 2267N -4.48 0.52 -3.24 0.00 4.77 -0.48 -4.86 117.00 109.24 1nd5 n LEU 2267Ca 0.12 0.42 -0.13 0.00 -0.03 0.00 0.00 56.01 56.39 1nd5 n LEU 2267Cb 0.19 -0.34 0.06 0.00 -2.33 0.00 0.00 43.42 41.00 1nd5 n LEU 2267CO 0.34 -0.07 0.08 -0.67 -1.33 0.00 0.00 177.39 175.74 1nd5 n ASP 2268N -1.93 -6.80 0.00 -1.43 -0.08 0.28 -4.54 116.55 102.05 1nd5 n ASP 2268Ca 0.06 -0.61 0.00 0.00 -1.51 0.00 0.00 54.79 52.73 1nd5 n ASP 2268Cb 0.40 -5.13 0.00 0.00 2.34 0.00 0.00 41.12 38.73 1nd5 n ASP 2268CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1nd5 n VAL 2269N -3.00 0.00 -1.90 5.18 0.24 -0.91 -4.36 118.33 113.58 1nd5 n VAL 2269Ca -0.06 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.82 1nd5 n VAL 2269Cb 0.60 0.82 -0.03 0.00 -1.47 0.00 0.00 33.84 33.76 1nd5 n VAL 2269CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1nd5 s TYR 2270N 0.00 1.73 0.54 6.34 5.04 -1.25 -4.89 117.35 124.86 1nd5 s TYR 2270Ca 0.00 0.21 0.42 0.00 -2.44 0.00 0.00 57.07 55.25 1nd5 s TYR 2270Cb 0.00 -4.02 2.18 0.00 0.35 0.00 0.00 41.96 40.47 1nd5 s TYR 2270CO 0.00 -3.99 2.28 -2.95 -1.34 0.00 0.00 175.55 169.55 1nd5 h ASN 2271N 11.03 0.00 0.00 4.32 7.08 -1.98 -3.46 115.58 132.57 1nd5 h ASN 2271Ca -0.40 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.82 1nd5 h ASN 2271Cb 1.19 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.43 1nd5 h ASN 2271CO 0.97 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 176.93 1nd5 n GLY 2272N -0.83 2.34 3.93 9.14 0.00 -1.26 -5.06 105.19 113.45 1nd5 n GLY 2272Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 1nd5 n GLY 2272CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nd5 s LEU 2273N 0.00 2.72 -0.05 0.99 1.43 -1.26 -4.87 118.68 117.64 1nd5 s LEU 2273Ca 0.00 0.30 -0.22 0.00 -1.03 0.00 0.00 54.13 53.18 1nd5 s LEU 2273Cb 0.00 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.65 1nd5 s LEU 2273CO 0.00 -2.36 0.66 -0.76 0.23 0.00 0.00 176.35 174.13 1nd5 s LEU 2274N -5.67 4.34 -0.41 1.79 1.43 -1.26 -4.97 118.68 113.93 1nd5 s LEU 2274Ca 0.69 1.17 -0.31 0.00 -1.03 0.00 0.00 54.13 54.65 1nd5 s LEU 2274Cb -0.06 -3.03 -0.10 0.00 0.03 0.00 0.00 46.19 43.03 1nd5 s LEU 2274CO 0.50 -0.05 2.29 -2.65 0.23 0.00 0.00 176.35 176.67 1nd5 n PRO 2275N 3.49 1.16 -0.72 1.29 -0.02 -1.26 -4.92 135.00 134.02 1nd5 n PRO 2275Ca -0.03 0.26 -0.30 0.00 -2.02 0.00 0.00 63.50 61.41 1nd5 n PRO 2275Cb 0.51 -2.75 0.18 0.00 -0.02 0.00 0.00 33.50 31.43 1nd5 n PRO 2275CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1nd5 s PRO 2276N 6.93 0.55 0.25 0.52 0.02 -1.26 -4.81 135.00 137.18 1nd5 s PRO 2276Ca 1.08 1.28 -0.31 0.00 0.02 0.00 0.00 61.00 63.07 1nd5 s PRO 2276Cb -0.64 -1.69 -0.14 0.00 0.02 0.00 0.00 34.50 32.05 1nd5 s PRO 2276CO 0.41 -2.87 1.34 0.66 -0.33 0.00 0.00 177.00 176.21 1nd5 n TYR 2277N -4.37 2.01 -1.30 6.54 0.53 -1.26 -1.09 117.16 118.21 1nd5 n TYR 2277Ca 0.09 0.50 -0.12 0.00 -1.02 0.00 0.00 57.90 57.34 1nd5 n TYR 2277Cb 0.53 -2.42 -0.05 0.00 -1.03 0.00 0.00 39.34 36.37 1nd5 n TYR 2277CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1nd5 n ALA 2278N 1.55 -0.19 -1.76 -0.72 0.00 -0.58 -4.93 120.51 113.88 1nd5 n ALA 2278Ca 0.11 0.20 -0.37 0.00 0.00 0.00 0.00 53.44 53.38 1nd5 n ALA 2278Cb 0.31 -1.48 0.02 0.00 0.00 0.00 0.00 19.45 18.30 1nd5 n ALA 2278CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1nd5 s SER 2279N -2.13 5.43 -0.03 0.00 1.04 -0.25 -4.67 113.70 113.09 1nd5 s SER 2279Ca 0.00 2.45 0.00 0.00 0.48 0.00 0.00 55.95 58.88 1nd5 s SER 2279Cb 0.00 -2.61 0.03 0.00 0.10 0.00 0.00 66.02 63.54 1nd5 s SER 2279CO 0.00 -1.43 0.01 0.00 0.98 0.00 0.00 173.24 172.80 1nd5 s HIS 2281N 1.04 3.07 -0.08 0.00 2.46 0.16 -1.97 115.29 119.97 1nd5 s HIS 2281Ca -0.09 0.15 -0.18 0.00 0.47 0.00 0.00 55.06 55.41 1nd5 s HIS 2281Cb -0.13 -3.38 -0.05 0.00 -0.13 0.00 0.00 32.58 28.89 1nd5 s HIS 2281CO -0.02 -0.82 0.49 -0.51 -2.47 0.00 0.00 174.74 171.40 1nd5 s LEU 2282N 2.93 4.33 -0.25 8.88 1.43 0.80 -2.24 118.68 134.56 1nd5 s LEU 2282Ca 0.26 0.89 -0.00 0.00 -1.03 0.00 0.00 54.13 54.24 1nd5 s LEU 2282Cb -0.14 -2.71 0.07 0.00 0.03 0.00 0.00 46.19 43.44 1nd5 s LEU 2282CO 0.19 0.07 0.02 -0.89 0.23 0.00 0.00 176.35 175.96 1nd5 s THR 2283N 0.24 1.14 -0.09 5.49 2.01 -0.33 -1.15 115.64 122.95 1nd5 s THR 2283Ca 0.26 -1.19 0.01 0.00 0.31 0.00 0.00 61.69 61.08 1nd5 s THR 2283Cb -0.16 -1.63 -0.02 0.00 0.01 0.00 0.00 72.50 70.69 1nd5 s THR 2283CO 0.12 -0.33 -0.11 -1.61 -0.69 0.00 0.00 174.62 171.99 1nd5 s GLU 2284N 1.54 2.97 -0.29 4.92 2.02 0.31 -0.08 118.70 130.08 1nd5 s GLU 2284Ca 0.01 -0.64 -0.04 0.00 0.02 0.00 0.00 54.97 54.33 1nd5 s GLU 2284Cb -0.18 -2.57 0.03 0.00 0.10 0.00 0.00 34.13 31.52 1nd5 s GLU 2284CO -0.12 0.46 0.02 -1.17 0.02 0.00 0.00 175.26 174.47 1nd5 s LEU 2285N -0.29 3.78 0.22 1.80 2.96 0.11 -0.23 118.68 127.02 1nd5 s LEU 2285Ca 0.03 -1.02 0.07 0.00 -0.22 0.00 0.00 54.13 52.98 1nd5 s LEU 2285Cb -0.13 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 1nd5 s LEU 2285CO 0.03 -0.22 0.13 -0.31 -1.32 0.00 0.00 176.35 174.65 1nd5 s TYR 2286N 1.35 3.03 -0.19 5.38 1.51 -0.31 -0.32 117.35 127.81 1nd5 s TYR 2286Ca -0.02 -0.10 -0.03 0.00 -1.01 0.00 0.00 57.07 55.91 1nd5 s TYR 2286Cb -0.18 -1.40 -0.01 0.00 -0.11 0.00 0.00 41.96 40.25 1nd5 s TYR 2286CO -0.01 0.53 -0.06 0.12 -1.11 0.00 0.00 175.55 175.03 1nd5 s PHE 2287N -2.01 2.95 0.00 2.71 5.36 0.33 -1.44 117.98 125.87 1nd5 s PHE 2287Ca 0.32 -0.72 0.00 0.00 -0.96 0.00 0.00 56.93 55.57 1nd5 s PHE 2287Cb -0.08 -2.02 0.00 0.00 -0.34 0.00 0.00 43.02 40.57 1nd5 s PHE 2287CO 0.23 -0.36 0.00 -1.91 -1.46 0.00 0.00 175.22 171.72 1nd5 n GLU 2288N 4.26 0.00 -2.21 10.12 4.07 0.20 -1.01 120.64 136.06 1nd5 n GLU 2288Ca -0.18 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.50 1nd5 n GLU 2288Cb 0.52 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.90 1nd5 n GLU 2288CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1nd5 n LYS 2289N 0.00 3.60 -1.11 5.31 4.76 -1.26 -4.22 118.16 125.25 1nd5 n LYS 2289Ca 0.00 -3.38 -0.04 0.00 -2.87 0.00 0.00 58.31 52.02 1nd5 n LYS 2289Cb 0.00 -2.94 -0.02 0.00 -1.84 0.00 0.00 35.03 30.23 1nd5 n LYS 2289CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nd5 n GLY 2290N 2.88 0.63 3.39 0.72 0.00 -1.26 -4.99 105.19 106.56 1nd5 n GLY 2290Ca 0.44 -0.34 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 1nd5 n GLY 2290CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nd5 s GLU 2291N -1.65 1.46 -0.13 1.61 0.41 -1.26 -5.15 118.70 114.00 1nd5 s GLU 2291Ca 0.00 -1.66 0.02 0.00 -0.41 0.00 0.00 54.97 52.92 1nd5 s GLU 2291Cb 0.00 -1.35 0.01 0.00 -1.78 0.00 0.00 34.13 31.01 1nd5 s GLU 2291CO 0.00 0.23 -0.19 0.71 -0.49 0.00 0.00 175.26 175.52 1nd5 s TYR 2292N -2.81 2.40 0.10 1.61 1.51 -1.26 0.59 117.35 119.48 1nd5 s TYR 2292Ca 0.25 -1.18 0.08 0.00 -1.01 0.00 0.00 57.07 55.21 1nd5 s TYR 2292Cb -0.02 -1.66 -0.04 0.00 -0.11 0.00 0.00 41.96 40.13 1nd5 s TYR 2292CO 0.10 -0.56 -0.15 -0.06 -1.11 0.00 0.00 175.55 173.77 1nd5 s PHE 2293N 0.88 2.62 -0.06 2.71 0.40 -0.52 0.07 117.98 124.08 1nd5 s PHE 2293Ca -0.07 -0.22 0.02 0.00 -0.60 0.00 0.00 56.93 56.07 1nd5 s PHE 2293Cb -0.15 -1.40 -0.03 0.00 0.51 0.00 0.00 43.02 41.95 1nd5 s PHE 2293CO -0.02 0.38 -0.11 0.08 0.70 0.00 0.00 175.22 176.26 1nd5 s VAL 2294N -1.13 3.38 -0.01 -0.44 1.01 0.53 -1.16 120.40 122.58 1nd5 s VAL 2294Ca 0.19 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.60 1nd5 s VAL 2294Cb -0.11 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 1nd5 s VAL 2294CO 0.11 0.59 -0.11 -1.61 0.00 0.00 0.00 175.10 174.07 1nd5 s GLU 2295N -0.68 0.89 0.04 2.72 2.02 0.68 -1.57 118.70 122.79 1nd5 s GLU 2295Ca 0.10 -0.39 0.08 0.00 0.02 0.00 0.00 54.97 54.78 1nd5 s GLU 2295Cb -0.11 -0.86 -0.03 0.00 0.10 0.00 0.00 34.13 33.24 1nd5 s GLU 2295CO 0.01 0.24 -0.22 -1.64 0.02 0.00 0.00 175.26 173.67 1nd5 s MET 2296N -0.26 1.47 0.04 1.61 -1.94 -1.26 -0.53 119.30 118.42 1nd5 s MET 2296Ca 0.04 -0.96 -0.03 0.00 -1.71 0.00 0.00 55.69 53.03 1nd5 s MET 2296Cb -0.04 -1.59 -0.02 0.00 2.01 0.00 0.00 34.83 35.19 1nd5 s MET 2296CO -0.00 0.41 0.04 0.71 -0.01 0.00 0.00 175.02 176.17 1nd5 s TYR 2297N -0.79 0.28 -0.17 -0.03 1.51 -0.30 -1.25 117.35 116.61 1nd5 s TYR 2297Ca 0.08 -0.64 -0.00 0.00 -1.01 0.00 0.00 57.07 55.50 1nd5 s TYR 2297Cb -0.09 -0.21 0.04 0.00 -0.11 0.00 0.00 41.96 41.59 1nd5 s TYR 2297CO 0.02 -0.34 -0.07 -0.47 -1.11 0.00 0.00 175.55 173.58 1nd5 s TYR 2298N -2.69 1.87 -0.88 2.71 5.04 -0.62 -0.14 117.35 122.63 1nd5 s TYR 2298Ca -0.04 -1.17 -0.11 0.00 -2.44 0.00 0.00 57.07 53.31 1nd5 s TYR 2298Cb -0.01 -1.40 0.23 0.00 0.35 0.00 0.00 41.96 41.13 1nd5 s TYR 2298CO -0.05 -0.64 0.82 0.50 -1.34 0.00 0.00 175.55 174.84 1nd5 s ARG 2299N 1.58 3.63 0.00 4.97 3.52 -0.83 0.26 118.95 132.07 1nd5 s ARG 2299Ca 0.01 -2.72 0.23 0.00 -0.13 0.00 0.00 55.73 53.13 1nd5 s ARG 2299Cb -0.15 -4.36 0.16 0.00 -1.56 0.00 0.00 34.95 29.04 1nd5 s ARG 2299CO -0.08 -1.26 1.22 0.27 -0.81 0.00 0.00 175.30 174.64 1nd5 n ASN 2300N 3.48 2.83 -3.33 -2.12 0.23 -1.26 -1.61 115.26 113.48 1nd5 n ASN 2300Ca 0.16 -1.92 0.00 0.00 -0.53 0.00 0.00 54.58 52.30 1nd5 n ASN 2300Cb 0.43 0.07 -0.03 0.00 -2.08 0.00 0.00 39.78 38.17 1nd5 n ASN 2300CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 1nd5 s GLU 2301N -2.03 0.52 0.34 -3.83 -1.05 -1.26 -4.74 118.70 106.64 1nd5 s GLU 2301Ca 0.26 1.04 0.14 0.00 -0.15 0.00 0.00 54.97 56.26 1nd5 s GLU 2301Cb 0.19 0.47 1.07 0.00 -0.44 0.00 0.00 34.13 35.42 1nd5 s GLU 2301CO 0.33 -0.50 1.65 1.79 0.95 0.00 0.00 175.26 179.48 1nd5 h THR 2302N 6.04 0.27 -0.13 1.83 1.35 -1.97 -0.72 112.91 119.58 1nd5 h THR 2302Ca -0.21 -0.10 0.04 0.00 -0.55 0.00 0.00 66.41 65.59 1nd5 h THR 2302Cb 1.14 -0.04 -0.01 0.00 -1.73 0.00 0.00 68.15 67.52 1nd5 h THR 2302CO 0.22 0.05 0.16 0.06 -0.25 0.00 0.00 175.52 175.76 1nd5 h GLN 2303N 0.28 0.00 -5.68 4.72 3.07 -2.02 -3.43 115.11 112.05 1nd5 h GLN 2303Ca 0.73 0.00 -0.47 0.00 0.09 0.00 0.00 58.65 58.99 1nd5 h GLN 2303Cb 1.66 0.00 -0.15 0.00 0.08 0.00 0.00 27.48 29.07 1nd5 h GLN 2303CO -0.63 0.00 -0.75 -1.01 0.09 0.00 0.00 178.83 176.53 1nd5 s HIS 2304N -4.61 1.75 1.03 0.06 3.76 -0.28 -5.14 115.29 111.87 1nd5 s HIS 2304Ca -0.05 -0.53 -0.12 0.00 -0.15 0.00 0.00 55.06 54.21 1nd5 s HIS 2304Cb 0.15 -0.83 0.21 0.00 1.11 0.00 0.00 32.58 33.22 1nd5 s HIS 2304CO 0.54 0.36 1.07 -1.83 -0.85 0.00 0.00 174.74 174.03 1nd5 s GLU 2305N -3.38 0.13 0.13 1.40 -1.05 -1.26 -4.70 118.70 109.98 1nd5 s GLU 2305Ca 0.20 0.80 -0.31 0.00 -0.15 0.00 0.00 54.97 55.52 1nd5 s GLU 2305Cb -0.02 -1.68 -0.09 0.00 -0.44 0.00 0.00 34.13 31.90 1nd5 s GLU 2305CO 0.07 -3.01 1.51 -2.14 0.95 0.00 0.00 175.26 172.64 1nd5 s PRO 2306N -4.73 4.25 0.01 -4.83 0.02 -1.26 -4.87 135.00 123.59 1nd5 s PRO 2306Ca 0.66 2.25 -0.30 0.00 0.02 0.00 0.00 61.00 63.63 1nd5 s PRO 2306Cb -0.21 -3.24 -0.06 0.00 0.02 0.00 0.00 34.50 31.00 1nd5 s PRO 2306CO 0.60 -0.56 1.42 0.71 -0.33 0.00 0.00 177.00 178.84 1nd5 s TYR 2307N 1.32 2.84 -0.37 6.54 1.51 0.14 -4.60 117.35 124.73 1nd5 s TYR 2307Ca 0.68 0.78 -0.27 0.00 -1.01 0.00 0.00 57.07 57.26 1nd5 s TYR 2307Cb -0.41 -3.69 -0.06 0.00 -0.11 0.00 0.00 41.96 37.69 1nd5 s TYR 2307CO 0.31 -2.57 2.33 -2.30 -1.11 0.00 0.00 175.55 172.21 1nd5 n PRO 2308N 5.29 1.44 -2.78 -1.71 -0.02 -1.26 -1.60 135.00 134.36 1nd5 n PRO 2308Ca 0.13 0.23 -0.32 0.00 -2.02 0.00 0.00 63.50 61.53 1nd5 n PRO 2308Cb 0.43 -3.34 -0.05 0.00 -0.02 0.00 0.00 33.50 30.52 1nd5 n PRO 2308CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1nd5 s LEU 2309N 10.49 3.86 -0.02 2.45 1.43 -0.38 -4.99 118.68 131.51 1nd5 s LEU 2309Ca 1.00 1.45 -0.00 0.00 -1.03 0.00 0.00 54.13 55.54 1nd5 s LEU 2309Cb -0.25 -4.32 0.03 0.00 0.03 0.00 0.00 46.19 41.68 1nd5 s LEU 2309CO 0.30 -0.40 0.03 -0.32 0.23 0.00 0.00 176.35 176.20 1nd5 s MET 2310N -3.52 -0.05 0.23 1.70 -2.45 -1.26 -4.34 119.30 109.61 1nd5 s MET 2310Ca 0.57 0.22 -0.30 0.00 -1.25 0.00 0.00 55.69 54.93 1nd5 s MET 2310Cb -0.10 -0.29 -0.10 0.00 1.25 0.00 0.00 34.83 35.60 1nd5 s MET 2310CO 0.23 -0.19 1.39 -1.17 1.05 0.00 0.00 175.02 176.33 1nd5 s LEU 2311N 1.25 4.40 0.06 4.11 2.96 -1.26 -4.82 118.68 125.37 1nd5 s LEU 2311Ca -0.07 2.56 -0.31 0.00 -0.22 0.00 0.00 54.13 56.10 1nd5 s LEU 2311Cb -0.13 -3.62 -0.07 0.00 0.50 0.00 0.00 46.19 42.88 1nd5 s LEU 2311CO -0.03 -0.64 1.41 -2.16 -1.32 0.00 0.00 176.35 173.62 1nd5 s PRO 2312N -0.25 4.30 0.00 0.98 0.04 -1.26 -2.20 135.00 136.61 1nd5 s PRO 2312Ca 0.58 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.66 1nd5 s PRO 2312Cb -0.40 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 30.71 1nd5 s PRO 2312CO 0.41 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 177.34 1nd5 n GLY 2313N 3.60 0.29 3.23 0.56 0.00 -1.26 -5.06 105.19 106.56 1nd5 n GLY 2313Ca 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 1nd5 n GLY 2313CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nd5 s SER 2315N -3.18 3.34 0.27 0.00 1.04 -1.26 -4.40 113.70 109.51 1nd5 s SER 2315Ca 0.32 0.05 0.01 0.00 0.48 0.00 0.00 55.95 56.81 1nd5 s SER 2315Cb 0.07 -0.14 0.39 0.00 0.10 0.00 0.00 66.02 66.44 1nd5 s SER 2315CO 0.09 -2.57 1.74 -0.65 0.98 0.00 0.00 173.24 172.83 1nd5 h PRO 2316N -1.39 0.60 -2.97 4.02 0.11 -1.92 -3.11 132.00 127.35 1nd5 h PRO 2316Ca -0.42 -0.20 -0.74 0.00 0.11 0.00 0.00 66.00 64.75 1nd5 h PRO 2316Cb 1.24 -0.05 -0.33 0.00 0.11 0.00 0.00 31.00 31.97 1nd5 h PRO 2316CO 0.36 0.73 0.26 0.43 -0.21 0.00 0.00 178.00 179.58 1nd5 n SER 2317N -4.17 5.25 -4.70 -2.05 7.64 -1.26 -4.36 113.62 109.97 1nd5 n SER 2317Ca 0.01 -3.30 -0.42 0.00 1.01 0.00 0.00 58.87 56.17 1nd5 n SER 2317Cb 0.36 -1.12 -0.03 0.00 -1.01 0.00 0.00 64.21 62.41 1nd5 n SER 2317CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nd5 s PRO 2319N 1.78 4.24 0.25 0.00 0.04 -1.26 0.20 135.00 140.24 1nd5 s PRO 2319Ca 0.55 2.35 -0.14 0.00 0.04 0.00 0.00 61.00 63.80 1nd5 s PRO 2319Cb -0.25 -3.11 0.32 0.00 0.04 0.00 0.00 34.50 31.50 1nd5 s PRO 2319CO 0.24 -0.49 1.55 1.25 0.04 0.00 0.00 177.00 179.59 1nd5 h LEU 2320N 5.48 -1.27 -0.84 -3.56 5.85 -0.67 0.69 115.31 121.00 1nd5 h LEU 2320Ca -0.45 0.31 0.12 0.00 0.84 0.00 0.00 57.88 58.70 1nd5 h LEU 2320Cb 1.21 0.71 -0.08 0.00 0.37 0.00 0.00 40.66 42.87 1nd5 h LEU 2320CO 0.82 -0.30 0.46 -0.08 -0.34 0.00 0.00 178.44 178.99 1nd5 h GLU 2321N -0.00 0.68 -0.37 1.25 4.81 -1.90 0.28 114.58 119.33 1nd5 h GLU 2321Ca 0.39 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.45 1nd5 h GLU 2321Cb 0.64 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1nd5 h GLU 2321CO -1.00 0.45 -0.28 -0.09 -0.73 0.00 0.00 179.01 177.35 1nd5 h ARG 2322N 0.70 0.85 -0.62 1.92 9.65 -0.13 -1.95 114.38 124.80 1nd5 h ARG 2322Ca 0.44 -0.42 0.04 0.00 -1.10 0.00 0.00 59.98 58.93 1nd5 h ARG 2322Cb 0.52 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.07 1nd5 h ARG 2322CO -0.31 1.06 0.41 0.35 2.80 0.00 0.00 179.97 184.28 1nd5 h PHE 2323N 0.65 0.70 0.29 2.20 3.57 0.11 -2.15 116.94 122.30 1nd5 h PHE 2323Ca 0.07 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 1nd5 h PHE 2323Cb 0.86 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.37 1nd5 h PHE 2323CO 0.06 0.40 -0.14 0.00 -2.23 0.00 0.00 178.31 176.41 1nd5 h ALA 2324N 1.64 -0.38 0.24 2.41 0.00 0.14 -3.00 119.26 120.32 1nd5 h ALA 2324Ca 0.25 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1nd5 h ALA 2324Cb 0.10 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1nd5 h ALA 2324CO -0.07 -0.62 -0.35 0.93 0.00 0.00 0.00 179.25 179.14 1nd5 h GLU 2325N -0.58 -0.63 0.00 0.00 5.08 -0.94 -2.06 114.58 115.44 1nd5 h GLU 2325Ca -0.04 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1nd5 h GLU 2325Cb 0.42 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1nd5 h GLU 2325CO 0.06 -0.42 0.02 1.28 -1.00 0.00 0.00 179.01 178.96 1nd5 n LEU 2326N -5.45 0.41 -0.00 1.33 4.77 -0.85 -2.18 117.00 115.03 1nd5 n LEU 2326Ca -0.08 0.68 0.08 0.00 -0.03 0.00 0.00 56.01 56.66 1nd5 n LEU 2326Cb 0.35 -0.72 -0.11 0.00 -2.33 0.00 0.00 43.42 40.61 1nd5 n LEU 2326CO 0.25 -0.82 -0.23 0.52 -1.33 0.00 0.00 177.39 175.78 1nd5 n VAL 2327N -2.05 0.00 -0.29 4.08 0.31 -0.81 -4.59 118.33 114.98 1nd5 n VAL 2327Ca -0.01 -0.19 0.08 0.00 -0.01 0.00 0.00 64.34 64.21 1nd5 n VAL 2327Cb 0.05 0.74 0.23 0.00 -0.91 0.00 0.00 33.84 33.95 1nd5 n VAL 2327CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1nd5 h GLY 2328N 3.76 1.36 1.86 2.92 0.00 -1.02 -2.10 103.07 109.86 1nd5 h GLY 2328Ca 0.00 -0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.12 1nd5 h GLY 2328CO 0.00 -0.07 0.05 -0.56 0.00 0.00 0.00 176.54 175.96 1nd5 h PRO 2329N 0.57 0.00 -0.30 4.80 0.13 -1.81 -2.41 132.00 132.98 1nd5 h PRO 2329Ca 0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.60 1nd5 h PRO 2329Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1nd5 h PRO 2329CO -0.39 0.00 0.00 1.33 -0.23 0.00 0.00 178.00 178.71 1nd5 n VAL 2330N -4.36 0.39 -3.82 1.56 0.24 -0.79 -4.70 118.33 106.85 1nd5 n VAL 2330Ca -0.01 -0.50 -0.36 0.00 -2.04 0.00 0.00 64.34 61.43 1nd5 n VAL 2330Cb 0.15 0.44 -0.13 0.00 -1.47 0.00 0.00 33.84 32.83 1nd5 n VAL 2330CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1nd5 s ILE 2331N -1.61 3.71 0.53 1.34 1.01 -0.91 -3.57 121.20 121.71 1nd5 s ILE 2331Ca 0.32 -0.61 -0.22 0.00 0.00 0.00 0.00 60.65 60.14 1nd5 s ILE 2331Cb 0.17 -2.83 -0.05 0.00 0.01 0.00 0.00 42.46 39.76 1nd5 s ILE 2331CO 0.25 0.22 1.38 -2.16 0.00 0.00 0.00 174.94 174.63 1nd5 s PRO 2332N 1.49 3.24 0.00 2.79 0.04 -1.24 -4.89 135.00 136.42 1nd5 s PRO 2332Ca 0.04 2.30 0.19 0.00 0.04 0.00 0.00 61.00 63.56 1nd5 s PRO 2332Cb -0.16 -2.34 0.06 0.00 0.04 0.00 0.00 34.50 32.10 1nd5 s PRO 2332CO 0.00 -1.13 1.00 1.04 0.04 0.00 0.00 177.00 177.95 1nd5 n GLN 2333N -0.86 1.59 0.00 4.56 1.13 -1.26 -4.75 117.38 117.79 1nd5 n GLN 2333Ca 0.09 -1.21 0.00 0.00 -1.94 0.00 0.00 57.00 53.95 1nd5 n GLN 2333Cb 0.44 -1.35 0.00 0.00 0.11 0.00 0.00 30.24 29.44 1nd5 n GLN 2333CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1nd5 n ASP 2334N 0.42 0.00 -0.10 1.08 4.64 -1.26 -5.07 116.55 116.27 1nd5 n ASP 2334Ca 0.09 0.00 -0.06 0.00 -1.38 0.00 0.00 54.79 53.44 1nd5 n ASP 2334Cb 0.42 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.50 1nd5 n ASP 2334CO 0.00 0.00 0.00 -0.25 -0.82 0.00 0.00 177.20 176.13 1nd5 h TRP 2335N 0.00 -0.49 -0.24 -0.67 7.01 -1.92 -1.70 115.95 117.94 1nd5 h TRP 2335Ca 0.00 0.04 0.06 0.00 2.11 0.00 0.00 58.89 61.10 1nd5 h TRP 2335Cb 0.00 0.27 -0.08 0.00 -2.10 0.00 0.00 29.16 27.25 1nd5 h TRP 2335CO 0.00 -0.27 -0.38 1.03 -2.79 0.00 0.00 178.44 176.03 1nd5 h SER 2336N -0.14 -1.22 0.43 2.65 0.87 -1.99 -1.88 113.55 112.27 1nd5 h SER 2336Ca 0.18 0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.90 1nd5 h SER 2336Cb 0.41 0.52 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1nd5 h SER 2336CO -0.44 -0.38 -0.21 0.74 -0.53 0.00 0.00 176.83 176.02 1nd5 h THR 2337N -0.39 0.00 0.00 2.23 2.02 -1.92 -2.90 112.91 111.95 1nd5 h THR 2337Ca 0.11 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.28 1nd5 h THR 2337Cb 0.58 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 1nd5 h THR 2337CO -0.45 0.00 0.45 -0.62 0.37 0.00 0.00 175.52 175.27 1nd5 n GLU 2338N -3.60 0.01 -0.08 6.66 1.02 -0.66 0.87 120.64 124.85 1nd5 n GLU 2338Ca -0.07 0.20 0.12 0.00 -0.02 0.00 0.00 57.16 57.39 1nd5 n GLU 2338Cb 0.23 -1.98 0.25 0.00 -0.02 0.00 0.00 31.44 29.92 1nd5 n GLU 2338CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nd5 s MET 2340N -1.79 4.24 0.00 0.00 -1.94 0.25 -0.39 119.30 119.67 1nd5 s MET 2340Ca 0.34 1.22 0.00 0.00 -1.71 0.00 0.00 55.69 55.54 1nd5 s MET 2340Cb 0.21 -2.32 0.00 0.00 2.01 0.00 0.00 34.83 34.72 1nd5 s MET 2340CO 0.30 -0.03 0.05 0.25 -0.01 0.00 0.00 175.02 175.58