#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t62 h LEU 2002N 0.00 1.00 -0.98 4.03 7.12 -2.00 -2.44 115.31 122.03 1t62 h LEU 2002Ca 0.00 -0.26 -0.11 0.00 0.13 0.00 0.00 57.88 57.65 1t62 h LEU 2002Cb 0.00 -0.27 -0.01 0.00 -0.53 0.00 0.00 40.66 39.85 1t62 h LEU 2002CO 0.00 1.01 -0.47 0.11 -0.13 0.00 0.00 178.44 178.96 1t62 h LYS 2003N 0.96 0.09 -0.73 1.25 1.79 -2.04 -2.10 116.57 115.79 1t62 h LYS 2003Ca 0.19 -0.05 0.04 0.00 -2.18 0.00 0.00 60.65 58.66 1t62 h LYS 2003Cb 0.43 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.03 1t62 h LYS 2003CO 0.01 0.54 0.45 -0.91 -1.08 0.00 0.00 179.45 178.46 1t62 h ASN 2004N 0.08 0.72 -0.05 0.86 4.21 -1.87 0.50 115.58 120.03 1t62 h ASN 2004Ca 0.00 0.01 -0.13 0.00 1.21 0.00 0.00 56.30 57.39 1t62 h ASN 2004Cb 0.86 -0.14 0.01 0.00 -1.12 0.00 0.00 38.32 37.92 1t62 h ASN 2004CO 0.06 0.49 -0.46 0.58 -1.29 0.00 0.00 177.43 176.81 1t62 h VAL 2005N 0.86 1.42 -0.84 2.81 2.07 -1.43 0.15 116.25 121.28 1t62 h VAL 2005Ca 0.30 -1.89 0.13 0.00 0.82 0.00 0.00 66.70 66.06 1t62 h VAL 2005Cb 0.07 2.42 -0.09 0.00 -1.52 0.00 0.00 31.29 32.17 1t62 h VAL 2005CO -0.13 0.55 0.45 -0.08 0.02 0.00 0.00 177.57 178.38 1t62 h GLU 2006N -0.09 0.65 -0.05 1.57 4.81 -0.92 -0.96 114.58 119.60 1t62 h GLU 2006Ca -0.04 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 1t62 h GLU 2006Cb 1.14 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.37 1t62 h GLU 2006CO 0.09 0.43 -0.10 0.28 -0.73 0.00 0.00 179.01 178.98 1t62 h VAL 2007N 0.67 1.43 -0.06 0.32 2.07 0.07 -1.36 116.25 119.40 1t62 h VAL 2007Ca 0.44 -1.44 0.04 0.00 0.82 0.00 0.00 66.70 66.56 1t62 h VAL 2007Cb 0.57 2.27 -0.05 0.00 -1.52 0.00 0.00 31.29 32.56 1t62 h VAL 2007CO -0.33 0.40 -0.23 0.15 0.02 0.00 0.00 177.57 177.57 1t62 h PHE 2008N -0.36 -0.63 -0.54 1.57 -0.00 -0.28 0.22 116.94 116.92 1t62 h PHE 2008Ca 0.00 0.02 -0.05 0.00 -0.00 0.00 0.00 57.97 57.94 1t62 h PHE 2008Cb 0.69 0.29 -0.02 0.00 -0.00 0.00 0.00 35.95 36.91 1t62 h PHE 2008CO 0.12 -0.32 0.13 2.35 -0.00 0.00 0.00 178.31 180.59 1t62 h TRP 2009N -0.34 0.91 0.08 0.41 7.01 -1.26 -1.27 115.95 121.49 1t62 h TRP 2009Ca 0.08 -0.11 0.02 0.00 2.11 0.00 0.00 58.89 60.99 1t62 h TRP 2009Cb 0.45 -0.26 -0.05 0.00 -2.10 0.00 0.00 29.16 27.20 1t62 h TRP 2009CO -0.30 0.79 -0.47 0.37 -2.79 0.00 0.00 178.44 176.04 1t62 h GLN 2010N 0.76 -0.65 -1.01 2.65 4.15 -0.74 0.29 115.11 120.56 1t62 h GLN 2010Ca 0.17 0.04 0.23 0.00 0.77 0.00 0.00 58.65 59.87 1t62 h GLN 2010Cb 0.34 0.15 -0.10 0.00 0.21 0.00 0.00 27.48 28.08 1t62 h GLN 2010CO 0.00 -0.44 0.63 -0.91 -1.93 0.00 0.00 178.83 176.19 1t62 h ASN 2011N -0.68 0.57 -0.30 -0.69 2.35 -0.27 -0.56 115.58 116.00 1t62 h ASN 2011Ca 0.02 0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 1t62 h ASN 2011Cb 0.71 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 1t62 h ASN 2011CO -0.29 0.15 0.15 0.15 -1.65 0.00 0.00 177.43 175.94 1t62 h PHE 2012N 0.52 0.43 0.00 1.19 3.57 0.70 -2.72 116.94 120.63 1t62 h PHE 2012Ca 0.58 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 62.04 1t62 h PHE 2012Cb 1.26 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.86 1t62 h PHE 2012CO -0.00 0.38 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.28 1t62 h LEU 2013N 0.36 0.00 0.03 0.59 3.38 0.55 -3.03 115.31 117.20 1t62 h LEU 2013Ca 0.10 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 1t62 h LEU 2013Cb 0.10 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.86 1t62 h LEU 2013CO -0.01 0.10 -0.45 0.44 0.09 0.00 0.00 178.44 178.60 1t62 h ASP 2014N 0.00 0.34 -0.85 -0.43 3.45 -1.18 0.25 116.42 118.00 1t62 h ASP 2014Ca -0.00 -0.84 0.19 0.00 0.43 0.00 0.00 57.03 56.80 1t62 h ASP 2014Cb 0.24 -0.11 -0.06 0.00 -0.56 0.00 0.00 39.33 38.85 1t62 h ASP 2014CO 0.01 1.14 0.56 0.11 -1.57 0.00 0.00 179.24 179.50 1t62 h LYS 2015N -0.42 0.38 -0.01 3.56 1.57 -1.36 -2.24 116.57 118.05 1t62 h LYS 2015Ca -0.07 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1t62 h LYS 2015Cb 1.24 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1t62 h LYS 2015CO 0.09 0.25 -0.06 0.72 -0.57 0.00 0.00 179.45 179.88 1t62 n HIS 2016N -4.49 0.00 -3.25 -1.35 8.25 -1.22 -5.02 115.22 108.14 1t62 n HIS 2016Ca 0.17 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.52 1t62 n HIS 2016Cb 0.65 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.80 1t62 n HIS 2016CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1t62 n GLU 2017N 0.30 -1.77 -4.28 -0.41 1.02 0.25 -5.03 120.64 110.72 1t62 n GLU 2017Ca 0.05 1.05 -0.22 0.00 -0.02 0.00 0.00 57.16 58.02 1t62 n GLU 2017Cb 0.23 -5.49 -0.12 0.00 -0.02 0.00 0.00 31.44 26.04 1t62 n GLU 2017CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1t62 s LEU 2018N -4.98 2.34 -0.50 -4.62 2.01 0.63 -5.02 118.68 108.54 1t62 s LEU 2018Ca 0.28 -0.74 0.03 0.00 0.01 0.00 0.00 54.13 53.71 1t62 s LEU 2018Cb -0.05 -0.80 0.16 0.00 0.01 0.00 0.00 46.19 45.51 1t62 s LEU 2018CO 0.76 0.00 0.34 -0.62 1.01 0.00 0.00 176.35 177.84 1t62 s ASP 2019N -2.14 3.27 0.48 2.29 3.68 -1.26 -4.60 116.67 118.38 1t62 s ASP 2019Ca 0.08 -3.09 0.04 0.00 2.13 0.00 0.00 52.55 51.72 1t62 s ASP 2019Cb -0.08 -0.99 -0.03 0.00 -1.45 0.00 0.00 42.92 40.37 1t62 s ASP 2019CO 0.05 -0.19 0.11 -0.04 0.13 0.00 0.00 175.17 175.23 1t62 s MET 2020N -0.22 2.16 0.26 4.34 -1.94 -1.26 -5.13 119.30 117.52 1t62 s MET 2020Ca 0.24 -2.17 -0.09 0.00 -1.71 0.00 0.00 55.69 51.96 1t62 s MET 2020Cb -0.10 -1.74 -0.07 0.00 2.01 0.00 0.00 34.83 34.93 1t62 s MET 2020CO -0.11 -0.29 0.59 -0.51 -0.01 0.00 0.00 175.02 174.69 1t62 s LEU 2021N -3.92 4.11 0.23 -0.03 1.02 -1.26 -5.01 118.68 113.82 1t62 s LEU 2021Ca 0.24 0.94 -0.31 0.00 0.02 0.00 0.00 54.13 55.01 1t62 s LEU 2021Cb 0.03 -3.72 -0.11 0.00 0.02 0.00 0.00 46.19 42.41 1t62 s LEU 2021CO 0.13 -0.13 1.63 -0.32 0.02 0.00 0.00 176.35 177.68 1t62 s MET 2022N -3.05 4.15 0.51 1.70 -2.45 -1.26 -4.98 119.30 113.92 1t62 s MET 2022Ca 0.48 2.52 -0.09 0.00 -1.25 0.00 0.00 55.69 57.35 1t62 s MET 2022Cb -0.11 -3.08 0.12 0.00 1.25 0.00 0.00 34.83 33.01 1t62 s MET 2022CO 0.23 -0.66 0.69 -0.35 1.05 0.00 0.00 175.02 175.98 1t62 n PRO 2023N 3.31 -0.71 -2.28 4.11 -0.04 -1.26 -5.02 135.00 133.11 1t62 n PRO 2023Ca 0.12 -1.07 -0.35 0.00 -0.04 0.00 0.00 63.50 62.17 1t62 n PRO 2023Cb 0.37 -0.72 -0.00 0.00 -0.04 0.00 0.00 33.50 33.11 1t62 n PRO 2023CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1t62 s ASP 2024N -3.53 5.78 -0.03 3.54 -0.00 -1.26 -4.77 116.67 116.41 1t62 s ASP 2024Ca 0.39 2.13 0.06 0.00 -0.00 0.00 0.00 52.55 55.13 1t62 s ASP 2024Cb -0.01 -2.58 -0.01 0.00 -0.00 0.00 0.00 42.92 40.32 1t62 s ASP 2024CO 0.28 -1.17 -0.20 0.68 -0.00 0.00 0.00 175.17 174.76 1t62 s VAL 2025N -1.83 1.58 0.09 -1.27 -7.23 -1.26 -1.51 120.40 108.97 1t62 s VAL 2025Ca 0.72 -0.83 -0.26 0.00 -1.81 0.00 0.00 61.98 59.79 1t62 s VAL 2025Cb -0.23 -1.33 0.08 0.00 0.56 0.00 0.00 36.38 35.46 1t62 s VAL 2025CO 0.27 0.45 0.91 -1.66 -0.31 0.00 0.00 175.10 174.76 1t62 s TRP 2026N -0.26 -0.23 0.25 2.82 1.48 -0.86 -4.98 118.94 117.16 1t62 s TRP 2026Ca 0.02 -0.01 0.09 0.00 -1.06 0.00 0.00 56.10 55.14 1t62 s TRP 2026Cb -0.10 0.60 -0.04 0.00 -1.16 0.00 0.00 33.47 32.77 1t62 s TRP 2026CO 0.01 -0.73 0.03 0.00 -4.06 0.00 0.00 176.95 172.20 1t62 s MET 2027N -3.25 2.41 0.36 3.25 0.23 -1.26 -0.61 119.30 120.43 1t62 s MET 2027Ca 0.09 -1.30 -0.24 0.00 -1.03 0.00 0.00 55.69 53.21 1t62 s MET 2027Cb -0.01 -2.26 -0.10 0.00 -1.53 0.00 0.00 34.83 30.92 1t62 s MET 2027CO -0.03 0.39 0.94 -0.06 -2.03 0.00 0.00 175.02 174.23 1t62 s PHE 2028N -2.18 3.54 0.00 3.16 0.08 -1.26 -4.88 117.98 116.44 1t62 s PHE 2028Ca 0.31 1.71 0.00 0.00 0.12 0.00 0.00 56.93 59.07 1t62 s PHE 2028Cb -0.07 -2.89 0.00 0.00 -0.57 0.00 0.00 43.02 39.49 1t62 s PHE 2028CO 0.20 0.09 0.00 0.41 -0.10 0.00 0.00 175.22 175.82 1t62 n GLY 2029N 0.09 -1.10 0.98 4.36 0.00 -1.26 -3.74 105.19 104.53 1t62 n GLY 2029Ca 0.04 -1.97 0.12 0.00 0.00 0.00 0.00 46.02 44.21 1t62 n GLY 2029CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1t62 n ASP 2030N 0.00 3.03 0.00 1.61 3.85 -1.26 -4.93 116.55 118.85 1t62 n ASP 2030Ca 0.00 -1.96 0.00 0.00 -0.71 0.00 0.00 54.79 52.12 1t62 n ASP 2030Cb 0.00 -0.08 0.00 0.00 -1.35 0.00 0.00 41.12 39.69 1t62 n ASP 2030CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1t62 n GLY 2031N 1.38 1.28 3.75 6.12 0.00 -1.26 -5.07 105.19 111.39 1t62 n GLY 2031Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1t62 n GLY 2031CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1t62 s SER 2032N -1.90 6.57 0.10 1.61 0.01 -1.26 -4.88 113.70 113.94 1t62 s SER 2032Ca 0.00 2.77 -0.28 0.00 1.31 0.00 0.00 55.95 59.75 1t62 s SER 2032Cb 0.00 -2.63 -0.12 0.00 0.21 0.00 0.00 66.02 63.48 1t62 s SER 2032CO 0.00 -0.75 1.64 -1.28 0.41 0.00 0.00 173.24 173.26 1t62 h SER 2033N 4.68 -0.69 -0.33 2.44 0.87 -1.97 0.20 113.55 118.76 1t62 h SER 2033Ca -0.47 0.06 0.04 0.00 -1.23 0.00 0.00 61.79 60.19 1t62 h SER 2033Cb 1.22 0.24 -0.06 0.00 -0.44 0.00 0.00 62.40 63.36 1t62 h SER 2033CO 0.76 -0.37 -0.39 -0.33 -0.53 0.00 0.00 176.83 175.97 1t62 h GLU 2034N -0.54 -0.24 -0.65 2.24 3.07 -1.90 0.14 114.58 116.70 1t62 h GLU 2034Ca -0.01 0.02 0.06 0.00 -0.50 0.00 0.00 59.36 58.93 1t62 h GLU 2034Cb 0.50 0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.43 1t62 h GLU 2034CO -0.06 -0.16 0.43 1.98 -1.40 0.00 0.00 179.01 179.81 1t62 h MET 2035N -0.24 0.65 -0.92 2.33 4.05 -1.89 0.14 114.93 119.05 1t62 h MET 2035Ca 0.06 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.43 1t62 h MET 2035Cb 0.40 -0.15 -0.04 0.00 -0.80 0.00 0.00 31.60 31.00 1t62 h MET 2035CO -0.44 0.43 0.54 0.78 0.23 0.00 0.00 176.91 178.45 1t62 h GLY 2036N 0.67 1.35 0.46 1.39 0.00 0.18 -2.01 103.07 105.13 1t62 h GLY 2036Ca 0.28 -0.58 -0.18 0.00 0.00 0.00 0.00 47.33 46.85 1t62 h GLY 2036CO -0.08 0.56 -0.86 3.43 0.00 0.00 0.00 176.54 179.59 1t62 h ASN 2037N 1.28 0.32 -0.38 0.19 -0.26 -0.07 -2.72 115.58 113.93 1t62 h ASN 2037Ca 0.33 -0.90 0.07 0.00 -0.56 0.00 0.00 56.30 55.24 1t62 h ASN 2037Cb -0.02 -0.10 -0.09 0.00 -1.06 0.00 0.00 38.32 37.05 1t62 h ASN 2037CO -0.06 1.39 -0.37 -0.09 -1.06 0.00 0.00 177.43 177.24 1t62 h ARG 2038N -0.53 -0.29 0.00 0.81 2.43 -0.70 0.19 114.38 116.29 1t62 h ARG 2038Ca -0.18 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 58.94 1t62 h ARG 2038Cb 1.52 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 31.13 1t62 h ARG 2038CO 0.07 -0.19 -0.36 -0.07 -1.51 0.00 0.00 179.97 177.91 1t62 h LEU 2039N -0.30 0.00 -0.39 3.80 3.38 -1.52 -2.97 115.31 117.31 1t62 h LEU 2039Ca 0.15 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 1t62 h LEU 2039Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1t62 h LEU 2039CO -0.54 0.36 -0.04 1.23 0.09 0.00 0.00 178.44 179.54 1t62 h GLY 2040N 1.91 0.78 1.61 0.83 0.00 -0.49 -2.57 103.07 105.14 1t62 h GLY 2040Ca -0.00 -0.60 -0.12 0.00 0.00 0.00 0.00 47.33 46.60 1t62 h GLY 2040CO 0.05 0.55 -0.41 -1.61 0.00 0.00 0.00 176.54 175.12 1t62 h GLN 2041N 0.54 0.43 -0.02 4.80 5.75 -0.73 -2.36 115.11 123.52 1t62 h GLN 2041Ca 0.11 -0.21 -0.01 0.00 -0.15 0.00 0.00 58.65 58.38 1t62 h GLN 2041Cb 0.53 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.08 1t62 h GLN 2041CO 0.03 0.77 -0.05 -0.07 -2.65 0.00 0.00 178.83 176.86 1t62 h LEU 2042N 0.36 0.02 0.00 -2.39 4.07 -1.39 -0.41 115.31 115.57 1t62 h LEU 2042Ca 0.03 -0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.96 1t62 h LEU 2042Cb 0.87 -0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.61 1t62 h LEU 2042CO 0.07 0.08 -0.16 0.58 -1.08 0.00 0.00 178.44 177.93 1t62 h VAL 2043N 0.02 1.15 -0.27 1.22 2.07 -1.05 0.90 116.25 120.30 1t62 h VAL 2043Ca 0.00 -1.92 -0.02 0.00 0.82 0.00 0.00 66.70 65.59 1t62 h VAL 2043Cb 0.11 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 1t62 h VAL 2043CO 0.01 0.39 0.09 -0.37 0.02 0.00 0.00 177.57 177.71 1t62 h VAL 2044N -1.00 1.12 0.00 2.57 -1.51 -1.36 -1.38 116.25 114.69 1t62 h VAL 2044Ca -0.04 -0.38 0.00 0.00 -1.23 0.00 0.00 66.70 65.05 1t62 h VAL 2044Cb 0.75 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 30.72 1t62 h VAL 2044CO -0.02 0.14 0.00 -1.54 -1.23 0.00 0.00 177.57 174.92 1t62 n SER 2045N -4.41 0.00 0.00 4.19 3.41 -0.17 -4.88 113.62 111.76 1t62 n SER 2045Ca 0.01 -0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 1t62 n SER 2045Cb 0.14 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 1t62 n SER 2045CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1t62 n GLY 2046N 0.79 0.76 0.11 5.00 0.00 -0.52 -4.94 105.19 106.40 1t62 n GLY 2046Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 1t62 n GLY 2046CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1t62 h ARG 2047N 2.69 0.23 -4.51 1.61 3.08 -1.50 -3.44 114.38 112.54 1t62 h ARG 2047Ca 0.00 -0.39 -0.72 0.00 0.07 0.00 0.00 59.98 58.95 1t62 h ARG 2047Cb 0.00 0.14 -0.23 0.00 0.08 0.00 0.00 29.97 29.96 1t62 h ARG 2047CO 0.00 1.18 -0.45 0.21 -1.07 0.00 0.00 179.97 179.84 1t62 s LYS 2048N -2.43 2.89 -0.08 0.04 2.20 0.30 -4.44 119.74 118.22 1t62 s LYS 2048Ca -0.18 -1.11 0.12 0.00 -0.36 0.00 0.00 55.97 54.43 1t62 s LYS 2048Cb 0.02 -3.89 0.31 0.00 -1.51 0.00 0.00 37.83 32.76 1t62 s LYS 2048CO 0.77 -0.78 1.23 0.25 -0.36 0.00 0.00 175.35 176.47 1t62 n THR 2049N 5.09 1.54 -4.03 3.43 -2.24 0.88 -4.20 114.28 114.74 1t62 n THR 2049Ca -0.11 -1.48 -0.08 0.00 -2.27 0.00 0.00 64.05 60.10 1t62 n THR 2049Cb 0.46 0.15 -0.09 0.00 -2.10 0.00 0.00 70.33 68.75 1t62 n THR 2049CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1t62 s ALA 2050N -1.87 0.33 0.27 6.98 0.00 -1.03 -1.96 121.76 124.48 1t62 s ALA 2050Ca 0.26 -1.07 -0.05 0.00 0.00 0.00 0.00 51.96 51.09 1t62 s ALA 2050Cb 0.19 0.55 -0.01 0.00 0.00 0.00 0.00 23.12 23.84 1t62 s ALA 2050CO 0.08 -0.47 0.38 0.99 0.00 0.00 0.00 175.76 176.74 1t62 s THR 2051N -3.94 0.00 -0.26 0.00 2.01 -0.85 -4.52 115.64 108.07 1t62 s THR 2051Ca 0.12 -1.66 -0.22 0.00 0.31 0.00 0.00 61.69 60.24 1t62 s THR 2051Cb 0.06 -2.44 0.07 0.00 0.01 0.00 0.00 72.50 70.20 1t62 s THR 2051CO -0.06 0.00 0.69 0.00 -0.69 0.00 0.00 174.62 174.56 1t62 s SER 2053N 0.62 2.20 -0.30 0.00 1.04 -0.70 -4.93 113.70 111.62 1t62 s SER 2053Ca -0.02 -1.28 -0.28 0.00 0.48 0.00 0.00 55.95 54.85 1t62 s SER 2053Cb -0.05 -0.06 0.01 0.00 0.10 0.00 0.00 66.02 66.03 1t62 s SER 2053CO -0.03 -0.52 1.01 -0.55 0.98 0.00 0.00 173.24 174.13 1t62 s SER 2054N -3.40 6.90 0.58 7.02 0.15 -1.26 -0.22 113.70 123.47 1t62 s SER 2054Ca 0.32 1.02 0.28 0.00 0.70 0.00 0.00 55.95 58.27 1t62 s SER 2054Cb 0.07 -2.51 1.60 0.00 -1.71 0.00 0.00 66.02 63.46 1t62 s SER 2054CO 0.12 -0.79 2.07 0.25 1.20 0.00 0.00 173.24 176.09 1t62 h LEU 2055N 9.85 0.00 -0.20 3.45 5.85 -1.79 -2.11 115.31 130.37 1t62 h LEU 2055Ca -0.21 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 1t62 h LEU 2055Cb 1.07 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 1t62 h LEU 2055CO 0.99 0.00 0.12 0.44 -0.34 0.00 0.00 178.44 179.65 1t62 h ASP 2056N 0.00 0.25 -1.01 1.25 3.45 -1.91 -2.47 116.42 115.98 1t62 h ASP 2056Ca 0.11 -0.05 0.05 0.00 0.43 0.00 0.00 57.03 57.57 1t62 h ASP 2056Cb 0.60 -0.06 -0.06 0.00 -0.56 0.00 0.00 39.33 39.25 1t62 h ASP 2056CO -0.00 0.23 0.65 0.40 -1.57 0.00 0.00 179.24 178.95 1t62 h ILE 2057N 0.24 1.12 -0.43 0.35 1.08 -1.79 -0.16 117.51 117.92 1t62 h ILE 2057Ca 0.07 -0.42 0.02 0.00 -0.39 0.00 0.00 64.86 64.15 1t62 h ILE 2057Cb 0.03 -0.20 -0.03 0.00 -3.07 0.00 0.00 36.82 33.55 1t62 h ILE 2057CO -0.01 0.22 0.24 1.88 -0.69 0.00 0.00 178.15 179.79 1t62 h TYR 2058N 1.22 0.44 0.60 1.37 -1.99 -1.55 0.33 116.97 117.40 1t62 h TYR 2058Ca 0.42 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 61.14 1t62 h TYR 2058Cb 0.10 -0.14 0.00 0.00 2.00 0.00 0.00 36.73 38.69 1t62 h TYR 2058CO -0.00 0.25 -0.32 0.87 -0.00 0.00 0.00 178.16 178.96 1t62 h LYS 2059N 0.48 -0.82 0.00 4.88 1.57 -0.77 0.30 116.57 122.21 1t62 h LYS 2059Ca 0.18 0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 1t62 h LYS 2059Cb 0.04 0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 1t62 h LYS 2059CO -0.10 -0.55 -0.07 0.52 -0.57 0.00 0.00 179.45 178.69 1t62 h MET 2060N -0.85 0.00 -0.22 3.15 2.86 -0.94 -1.72 114.93 117.21 1t62 h MET 2060Ca -0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1t62 h MET 2060Cb 0.67 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.33 1t62 h MET 2060CO 0.11 0.07 0.00 -1.91 1.06 0.00 0.00 176.91 176.24 1t62 n GLU 2061N -3.37 2.36 -4.09 1.72 4.07 0.11 -4.98 120.64 116.47 1t62 n GLU 2061Ca -0.01 -2.02 -0.28 0.00 -0.06 0.00 0.00 57.16 54.78 1t62 n GLU 2061Cb 0.23 -1.49 -0.05 0.00 -0.06 0.00 0.00 31.44 30.07 1t62 n GLU 2061CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1t62 n GLU 2062N 1.32 -2.54 -4.24 5.31 1.02 0.95 -4.97 120.64 117.49 1t62 n GLU 2062Ca 0.17 0.30 -0.27 0.00 -0.02 0.00 0.00 57.16 57.35 1t62 n GLU 2062Cb 0.58 -4.30 -0.08 0.00 -0.02 0.00 0.00 31.44 27.62 1t62 n GLU 2062CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1t62 s GLU 2063N -6.84 2.25 0.71 3.49 2.02 -0.55 -5.04 118.70 114.74 1t62 s GLU 2063Ca 0.07 -1.17 -0.11 0.00 0.02 0.00 0.00 54.97 53.79 1t62 s GLU 2063Cb -0.04 -2.27 0.02 0.00 0.10 0.00 0.00 34.13 31.93 1t62 s GLU 2063CO 0.93 0.45 1.07 -0.65 0.02 0.00 0.00 175.26 177.07 1t62 s GLN 2064N -2.85 2.82 0.46 1.61 -1.52 -1.26 -4.68 119.66 114.23 1t62 s GLN 2064Ca 0.26 0.95 -0.04 0.00 -1.95 0.00 0.00 55.36 54.58 1t62 s GLN 2064Cb -0.09 -1.98 -0.03 0.00 -0.22 0.00 0.00 33.01 30.69 1t62 s GLN 2064CO 0.17 -1.18 0.73 -0.51 -0.25 0.00 0.00 175.29 174.25 1t62 s LEU 2065N -5.59 3.69 0.67 2.90 1.43 -1.26 -5.02 118.68 115.50 1t62 s LEU 2065Ca 0.58 0.78 -0.17 0.00 -1.03 0.00 0.00 54.13 54.29 1t62 s LEU 2065Cb -0.14 -3.70 -0.02 0.00 0.03 0.00 0.00 46.19 42.35 1t62 s LEU 2065CO 0.55 -0.55 0.92 -0.81 0.23 0.00 0.00 176.35 176.70 1t62 n PRO 2066N -2.16 0.65 -4.17 1.29 -0.04 -1.26 -4.99 135.00 124.32 1t62 n PRO 2066Ca -0.00 0.27 -0.25 0.00 -0.04 0.00 0.00 63.50 63.48 1t62 n PRO 2066Cb 0.56 -2.16 -0.06 0.00 -0.04 0.00 0.00 33.50 31.79 1t62 n PRO 2066CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1t62 s LYS 2067N -3.04 2.60 0.16 0.54 1.02 -1.26 -4.95 119.74 114.82 1t62 s LYS 2067Ca 0.74 -1.10 -0.31 0.00 0.02 0.00 0.00 55.97 55.33 1t62 s LYS 2067Cb -0.38 -2.43 -0.09 0.00 -0.52 0.00 0.00 37.83 34.41 1t62 s LYS 2067CO 0.49 0.44 1.44 0.00 -0.92 0.00 0.00 175.35 176.80 1t62 s ALA 2068N -1.92 3.64 0.00 5.17 0.00 -1.26 -2.63 121.76 124.76 1t62 s ALA 2068Ca 0.30 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.48 1t62 s ALA 2068Cb -0.09 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1t62 s ALA 2068CO 0.21 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 175.71 1t62 n GLY 2069N 3.22 1.95 3.69 0.00 0.00 0.29 -5.02 105.19 109.32 1t62 n GLY 2069Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1t62 n GLY 2069CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1t62 s GLN 2070N -0.59 0.80 0.20 1.61 -2.07 -1.08 -4.58 119.66 113.96 1t62 s GLN 2070Ca 0.00 0.72 0.10 0.00 -1.82 0.00 0.00 55.36 54.36 1t62 s GLN 2070Cb 0.00 -1.76 -0.04 0.00 -1.09 0.00 0.00 33.01 30.11 1t62 s GLN 2070CO 0.00 -2.53 -0.15 0.71 -1.32 0.00 0.00 175.29 172.01 1t62 s TYR 2071N -2.92 2.49 -0.06 9.60 1.51 -1.26 -1.50 117.35 125.21 1t62 s TYR 2071Ca 0.64 -0.28 -0.02 0.00 -1.01 0.00 0.00 57.07 56.40 1t62 s TYR 2071Cb -0.19 -1.19 0.04 0.00 -0.11 0.00 0.00 41.96 40.51 1t62 s TYR 2071CO 0.58 0.54 0.11 -0.51 -1.11 0.00 0.00 175.55 175.16 1t62 s ASP 2072N -2.94 0.20 -0.07 2.29 1.11 -0.90 -4.26 116.67 112.10 1t62 s ASP 2072Ca 0.25 0.23 -0.26 0.00 0.18 0.00 0.00 52.55 52.95 1t62 s ASP 2072Cb -0.08 0.11 -0.03 0.00 1.07 0.00 0.00 42.92 44.00 1t62 s ASP 2072CO 0.14 -0.17 0.81 -0.63 1.18 0.00 0.00 175.17 176.50 1t62 s ILE 2073N 1.45 4.95 -0.17 0.77 1.01 -0.57 -1.74 121.20 126.90 1t62 s ILE 2073Ca -0.06 1.67 -0.06 0.00 0.00 0.00 0.00 60.65 62.21 1t62 s ILE 2073Cb -0.12 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 1t62 s ILE 2073CO -0.05 0.17 0.03 -0.63 0.00 0.00 0.00 174.94 174.46 1t62 s ILE 2074N 1.18 4.48 0.14 2.92 -1.09 0.93 -2.02 121.20 127.74 1t62 s ILE 2074Ca 0.42 -0.15 0.03 0.00 -2.23 0.00 0.00 60.65 58.73 1t62 s ILE 2074Cb -0.18 -3.00 -0.04 0.00 -1.58 0.00 0.00 42.46 37.66 1t62 s ILE 2074CO 0.20 0.48 0.17 -0.76 -1.23 0.00 0.00 174.94 173.80 1t62 s LEU 2075N 0.30 4.01 0.00 2.97 1.43 0.22 0.73 118.68 128.34 1t62 s LEU 2075Ca 0.01 0.01 -0.00 0.00 -1.03 0.00 0.00 54.13 53.12 1t62 s LEU 2075Cb -0.13 -2.62 0.08 0.00 0.03 0.00 0.00 46.19 43.55 1t62 s LEU 2075CO 0.01 0.09 0.53 -0.90 0.23 0.00 0.00 176.35 176.31 1t62 n ASP 2076N -0.20 0.72 -0.23 2.29 5.75 -0.13 -4.23 116.55 120.52 1t62 n ASP 2076Ca -0.08 -1.61 0.22 0.00 -0.01 0.00 0.00 54.79 53.32 1t62 n ASP 2076Cb 0.54 -0.34 0.57 0.00 -1.03 0.00 0.00 41.12 40.86 1t62 n ASP 2076CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1t62 h GLY 2077N -0.31 0.65 -2.99 6.12 0.00 -1.72 -0.63 103.07 104.20 1t62 h GLY 2077Ca -0.17 -0.13 -0.24 0.00 0.00 0.00 0.00 47.33 46.78 1t62 h GLY 2077CO 0.19 -0.02 0.31 -1.06 0.00 0.00 0.00 176.54 175.95 1t62 n GLN 2078N -4.45 1.90 -2.63 4.80 3.00 -1.26 -4.39 117.38 114.36 1t62 n GLN 2078Ca 0.20 -1.66 -0.11 0.00 -0.01 0.00 0.00 57.00 55.42 1t62 n GLN 2078Cb 0.80 -1.69 -0.01 0.00 0.00 0.00 0.00 30.24 29.35 1t62 n GLN 2078CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1t62 n SER 2079N -0.29 -3.01 -4.76 1.08 7.64 -0.24 -4.93 113.62 109.10 1t62 n SER 2079Ca 0.30 0.17 -0.35 0.00 1.01 0.00 0.00 58.87 60.01 1t62 n SER 2079Cb 1.09 -2.59 -0.08 0.00 -1.01 0.00 0.00 64.21 61.62 1t62 n SER 2079CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1t62 s GLN 2080N -5.20 3.13 0.21 1.43 -1.52 -1.26 -4.85 119.66 111.60 1t62 s GLN 2080Ca 0.07 -0.35 -0.32 0.00 -1.95 0.00 0.00 55.36 52.81 1t62 s GLN 2080Cb -0.04 -2.92 -0.14 0.00 -0.22 0.00 0.00 33.01 29.69 1t62 s GLN 2080CO 0.09 0.71 1.46 -0.35 -0.25 0.00 0.00 175.29 176.94 1t62 n PRO 2081N 1.84 2.02 -0.01 2.91 -0.04 -1.26 -0.96 135.00 139.50 1t62 n PRO 2081Ca -0.17 0.72 -0.03 0.00 -0.04 0.00 0.00 63.50 63.98 1t62 n PRO 2081Cb 0.54 -2.41 -0.01 0.00 -0.04 0.00 0.00 33.50 31.58 1t62 n PRO 2081CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1t62 n LEU 2082N 2.58 0.91 -3.69 1.53 0.00 0.22 -4.75 117.00 113.80 1t62 n LEU 2082Ca 0.14 0.14 -0.09 0.00 0.00 0.00 0.00 56.01 56.20 1t62 n LEU 2082Cb 0.30 -0.42 -0.02 0.00 0.00 0.00 0.00 43.42 43.28 1t62 n LEU 2082CO 0.63 -0.51 0.44 0.00 0.00 0.00 0.00 177.39 177.95 1t62 s ALA 2083N -2.48 -1.36 -0.00 1.96 0.00 -1.06 -0.33 121.76 118.49 1t62 s ALA 2083Ca -0.09 -0.00 0.06 0.00 0.00 0.00 0.00 51.96 51.93 1t62 s ALA 2083Cb 0.01 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.97 1t62 s ALA 2083CO 0.13 -0.93 -0.17 -1.50 0.00 0.00 0.00 175.76 173.28 1t62 s ILE 2084N -3.85 2.83 0.19 0.00 1.10 0.11 -0.05 121.20 121.53 1t62 s ILE 2084Ca 0.07 -0.99 0.07 0.00 -0.51 0.00 0.00 60.65 59.29 1t62 s ILE 2084Cb -0.04 -2.14 -0.05 0.00 0.15 0.00 0.00 42.46 40.38 1t62 s ILE 2084CO -0.01 0.46 -0.14 0.27 -2.11 0.00 0.00 174.94 173.41 1t62 s ILE 2085N -0.82 1.65 -0.09 2.00 -4.36 -0.71 -0.53 121.20 118.33 1t62 s ILE 2085Ca 0.13 -2.13 0.04 0.00 -0.26 0.00 0.00 60.65 58.43 1t62 s ILE 2085Cb -0.10 -1.96 0.00 0.00 1.25 0.00 0.00 42.46 41.64 1t62 s ILE 2085CO 0.03 -0.57 -0.23 -0.60 0.24 0.00 0.00 174.94 173.80 1t62 s ARG 2086N -3.50 2.88 -0.20 0.37 3.52 -0.23 -2.12 118.95 119.67 1t62 s ARG 2086Ca 0.20 -0.84 -0.26 0.00 -0.13 0.00 0.00 55.73 54.70 1t62 s ARG 2086Cb -0.01 -2.21 -0.01 0.00 -1.56 0.00 0.00 34.95 31.16 1t62 s ARG 2086CO 0.06 0.19 0.86 0.99 -0.81 0.00 0.00 175.30 176.59 1t62 s THR 2087N 0.32 4.84 -1.52 4.11 2.01 -0.56 -0.73 115.64 124.10 1t62 s THR 2087Ca -0.17 1.67 0.20 0.00 0.31 0.00 0.00 61.69 63.70 1t62 s THR 2087Cb -0.17 -4.16 -0.08 0.00 0.01 0.00 0.00 72.50 68.11 1t62 s THR 2087CO 0.08 -0.03 0.94 0.35 -0.69 0.00 0.00 174.62 175.26 1t62 n THR 2088N 4.99 0.00 -3.63 -0.82 -2.24 0.24 0.10 114.28 112.91 1t62 n THR 2088Ca 0.06 -0.21 -0.11 0.00 -2.27 0.00 0.00 64.05 61.52 1t62 n THR 2088Cb 0.48 1.16 -0.07 0.00 -2.10 0.00 0.00 70.33 69.80 1t62 n THR 2088CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1t62 s LYS 2089N -2.45 0.77 -0.08 -0.78 2.20 -0.87 -4.81 119.74 113.73 1t62 s LYS 2089Ca 0.13 1.04 0.02 0.00 -0.36 0.00 0.00 55.97 56.80 1t62 s LYS 2089Cb 0.16 0.31 0.01 0.00 -1.51 0.00 0.00 37.83 36.80 1t62 s LYS 2089CO 0.60 -0.11 -0.13 0.08 -0.36 0.00 0.00 175.35 175.43 1t62 s VAL 2090N 0.79 1.25 -0.05 4.02 1.01 -1.26 -0.91 120.40 125.25 1t62 s VAL 2090Ca -0.03 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 1t62 s VAL 2090Cb -0.05 -1.14 0.01 0.00 0.00 0.00 0.00 36.38 35.20 1t62 s VAL 2090CO -0.06 0.38 0.14 -0.70 0.00 0.00 0.00 175.10 174.85 1t62 s GLU 2091N 0.77 0.15 -0.25 2.72 2.12 0.18 -4.98 118.70 119.41 1t62 s GLU 2091Ca -0.12 0.20 -0.08 0.00 0.36 0.00 0.00 54.97 55.32 1t62 s GLU 2091Cb -0.16 0.06 -0.04 0.00 0.26 0.00 0.00 34.13 34.26 1t62 s GLU 2091CO 0.02 -0.03 0.10 0.42 -0.54 0.00 0.00 175.26 175.24 1t62 s ILE 2092N 0.13 4.64 -0.03 -3.70 1.01 -1.26 0.74 121.20 122.72 1t62 s ILE 2092Ca -0.01 -0.06 -0.11 0.00 0.00 0.00 0.00 60.65 60.47 1t62 s ILE 2092Cb -0.02 -3.17 0.02 0.00 0.01 0.00 0.00 42.46 39.31 1t62 s ILE 2092CO -0.00 0.34 0.25 0.00 0.00 0.00 0.00 174.94 175.53 1t62 s MET 2093N 1.45 0.52 0.28 2.79 0.23 -0.79 -4.95 119.30 118.84 1t62 s MET 2093Ca 0.06 -0.10 -0.30 0.00 -1.03 0.00 0.00 55.69 54.32 1t62 s MET 2093Cb -0.15 0.23 -0.10 0.00 -1.53 0.00 0.00 34.83 33.28 1t62 s MET 2093CO 0.05 -0.13 1.45 -2.14 -2.03 0.00 0.00 175.02 172.23 1t62 s PRO 2094N -0.96 4.23 0.28 3.16 0.02 -1.26 -0.73 135.00 139.75 1t62 s PRO 2094Ca -0.10 2.37 0.02 0.00 0.02 0.00 0.00 61.00 63.31 1t62 s PRO 2094Cb -0.05 -3.07 0.57 0.00 0.02 0.00 0.00 34.50 31.97 1t62 s PRO 2094CO 0.02 -0.44 1.83 1.98 -0.33 0.00 0.00 177.00 180.07 1t62 h MET 2095N 4.51 0.95 0.00 5.54 4.05 -1.67 -0.33 114.93 127.98 1t62 h MET 2095Ca -0.47 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 58.89 1t62 h MET 2095Cb 1.22 -0.21 0.00 0.00 -0.80 0.00 0.00 31.60 31.81 1t62 h MET 2095CO 0.75 0.63 0.00 0.27 0.23 0.00 0.00 176.91 178.78 1t62 n ASN 2096N -4.63 0.00 -0.34 1.39 2.04 -1.24 -2.82 115.26 109.66 1t62 n ASN 2096Ca 0.19 -0.70 0.03 0.00 -0.44 0.00 0.00 54.58 53.66 1t62 n ASN 2096Cb 0.37 0.00 0.08 0.00 -2.53 0.00 0.00 39.78 37.71 1t62 n ASN 2096CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1t62 n LYS 2097N -0.95 2.93 -2.22 -3.83 5.02 -0.13 -5.05 118.16 113.92 1t62 n LYS 2097Ca 0.14 -1.80 -0.41 0.00 -2.02 0.00 0.00 58.31 54.22 1t62 n LYS 2097Cb 0.06 -1.15 -0.03 0.00 -0.02 0.00 0.00 35.03 33.90 1t62 n LYS 2097CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1t62 s VAL 2098N -1.02 3.01 0.35 -0.18 -7.23 -1.13 -4.94 120.40 109.27 1t62 s VAL 2098Ca 0.12 0.96 -0.13 0.00 -1.81 0.00 0.00 61.98 61.13 1t62 s VAL 2098Cb 0.07 -3.61 -0.08 0.00 0.56 0.00 0.00 36.38 33.32 1t62 s VAL 2098CO 0.08 0.21 0.73 -0.94 -0.31 0.00 0.00 175.10 174.87 1t62 s SER 2099N -0.34 6.65 0.63 4.85 1.04 -1.26 -4.94 113.70 120.33 1t62 s SER 2099Ca 0.50 1.18 0.38 0.00 0.48 0.00 0.00 55.95 58.49 1t62 s SER 2099Cb -0.37 -2.34 2.11 0.00 0.10 0.00 0.00 66.02 65.52 1t62 s SER 2099CO 0.46 -0.28 2.29 1.05 0.98 0.00 0.00 173.24 177.75 1t62 h GLU 2100N 1.84 0.00 0.14 4.02 4.11 -1.99 -1.55 114.58 121.15 1t62 h GLU 2100Ca -0.47 0.00 0.01 0.00 0.07 0.00 0.00 59.36 58.97 1t62 h GLU 2100Cb 1.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 1t62 h GLU 2100CO 0.65 0.01 -0.23 1.03 0.07 0.00 0.00 179.01 180.54 1t62 h SER 2101N 0.00 -0.65 -0.13 3.06 0.87 -2.00 -0.53 113.55 114.17 1t62 h SER 2101Ca -0.00 0.07 -0.07 0.00 -1.23 0.00 0.00 61.79 60.56 1t62 h SER 2101Cb 0.05 0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 1t62 h SER 2101CO 0.00 -0.32 -0.12 0.15 -0.53 0.00 0.00 176.83 176.00 1t62 h PHE 2102N -0.44 0.51 -0.41 2.24 3.04 -1.68 -2.74 116.94 117.47 1t62 h PHE 2102Ca 0.02 -0.08 -0.10 0.00 3.98 0.00 0.00 57.97 61.80 1t62 h PHE 2102Cb 0.45 -0.14 -0.02 0.00 2.56 0.00 0.00 35.95 38.81 1t62 h PHE 2102CO -0.21 0.59 -0.15 0.00 -2.02 0.00 0.00 178.31 176.52 1t62 h ALA 2103N 1.43 0.97 -0.40 2.41 0.00 -1.07 0.46 119.26 123.06 1t62 h ALA 2103Ca 0.08 -0.33 -0.15 0.00 0.00 0.00 0.00 54.91 54.51 1t62 h ALA 2103Cb 0.48 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1t62 h ALA 2103CO 0.03 0.61 -0.35 1.96 0.00 0.00 0.00 179.25 181.50 1t62 h GLN 2104N 0.67 0.92 -0.52 0.00 4.20 -0.99 -2.24 115.11 117.15 1t62 h GLN 2104Ca 0.11 -0.46 -0.02 0.00 0.06 0.00 0.00 58.65 58.33 1t62 h GLN 2104Cb 0.64 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.39 1t62 h GLN 2104CO 0.04 1.11 0.22 0.00 -0.67 0.00 0.00 178.83 179.54 1t62 h ALA 2105N 0.83 1.42 0.00 3.87 0.00 -1.22 -1.98 119.26 122.19 1t62 h ALA 2105Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1t62 h ALA 2105Cb 0.93 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1t62 h ALA 2105CO 0.09 0.45 0.00 0.93 0.00 0.00 0.00 179.25 180.72 1t62 h GLU 2106N 0.74 0.00 0.00 0.00 4.39 -0.31 0.26 114.58 119.65 1t62 h GLU 2106Ca 0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.88 1t62 h GLU 2106Cb 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1t62 h GLU 2106CO -0.02 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.24 1t62 n GLY 2107N -0.53 2.81 0.00 -3.84 0.00 -0.74 -4.78 105.19 98.11 1t62 n GLY 2107Ca -0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1t62 n GLY 2107CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1t62 n LEU 2111N 0.00 0.00 -4.73 0.99 -0.00 -1.26 -4.94 117.00 107.06 1t62 n LEU 2111Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.77 1t62 n LEU 2111Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.36 1t62 n LEU 2111CO 0.00 0.00 -0.26 0.28 -0.00 0.00 0.00 177.39 177.41 1t62 s THR 2112N 0.00 4.02 0.22 1.47 -1.32 -1.26 -4.97 115.64 113.80 1t62 s THR 2112Ca 0.00 -1.48 -0.09 0.00 -1.21 0.00 0.00 61.69 58.91 1t62 s THR 2112Cb 0.00 -3.11 0.18 0.00 -1.51 0.00 0.00 72.50 68.06 1t62 s THR 2112CO 0.00 -0.25 1.88 -0.07 -2.21 0.00 0.00 174.62 173.97 1t62 h LEU 2113N 2.06 0.89 -1.25 9.08 3.38 -1.99 0.18 115.31 127.65 1t62 h LEU 2113Ca -0.47 -0.02 0.11 0.00 0.09 0.00 0.00 57.88 57.60 1t62 h LEU 2113Cb 1.23 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.70 1t62 h LEU 2113CO 0.60 0.63 0.57 0.44 0.09 0.00 0.00 178.44 180.77 1t62 h ASP 2114N 1.04 0.73 0.01 -0.43 5.19 -1.98 0.65 116.42 121.63 1t62 h ASP 2114Ca 0.30 0.03 -0.03 0.00 -0.62 0.00 0.00 57.03 56.71 1t62 h ASP 2114Cb -0.08 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.32 1t62 h ASP 2114CO -0.08 0.41 -0.12 0.22 -3.12 0.00 0.00 179.24 176.55 1t62 h TYR 2115N 0.80 0.11 -0.64 4.55 5.03 -1.75 -1.25 116.97 123.81 1t62 h TYR 2115Ca 0.42 -0.06 0.13 0.00 2.58 0.00 0.00 58.73 61.79 1t62 h TYR 2115Cb 0.52 -0.01 -0.10 0.00 1.55 0.00 0.00 36.73 38.69 1t62 h TYR 2115CO -0.00 0.92 0.10 2.35 -1.32 0.00 0.00 178.16 180.20 1t62 h TRP 2116N -0.73 0.14 -0.07 -3.82 7.01 0.01 0.32 115.95 118.82 1t62 h TRP 2116Ca -0.02 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.02 1t62 h TRP 2116Cb 0.96 0.04 -0.00 0.00 -2.10 0.00 0.00 29.16 28.05 1t62 h TRP 2116CO 0.21 -0.09 0.02 -0.92 -2.79 0.00 0.00 178.44 174.87 1t62 h TYR 2117N 0.22 0.11 -0.49 2.65 5.03 0.24 -2.04 116.97 122.69 1t62 h TYR 2117Ca 0.34 -0.01 0.06 0.00 2.58 0.00 0.00 58.73 61.70 1t62 h TYR 2117Cb 0.55 -0.03 -0.05 0.00 1.55 0.00 0.00 36.73 38.75 1t62 h TYR 2117CO -0.29 0.29 0.20 1.49 -1.32 0.00 0.00 178.16 178.54 1t62 h GLU 2118N -0.10 0.39 0.14 1.82 4.81 0.05 0.13 114.58 121.82 1t62 h GLU 2118Ca 0.02 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1t62 h GLU 2118Cb 0.24 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.48 1t62 h GLU 2118CO -0.00 0.26 -0.50 1.49 -0.73 0.00 0.00 179.01 179.53 1t62 h GLU 2119N 0.40 -0.72 -0.26 1.92 4.81 -0.29 -2.35 114.58 118.10 1t62 h GLU 2119Ca 0.23 0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.45 1t62 h GLU 2119Cb 0.20 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1t62 h GLU 2119CO -0.21 -0.48 -0.08 0.45 -0.73 0.00 0.00 179.01 177.97 1t62 h HIS 2120N -0.74 0.43 -0.37 0.92 3.86 -1.06 -2.23 115.15 115.95 1t62 h HIS 2120Ca 0.00 -0.05 0.06 0.00 -1.16 0.00 0.00 60.37 59.22 1t62 h HIS 2120Cb 0.75 -0.12 -0.05 0.00 1.06 0.00 0.00 27.41 29.04 1t62 h HIS 2120CO -0.42 0.49 0.05 0.00 0.86 0.00 0.00 177.93 178.92 1t62 h ALA 2121N 1.53 0.38 0.21 2.45 0.00 -0.36 -0.68 119.26 122.80 1t62 h ALA 2121Ca 0.08 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1t62 h ALA 2121Cb 0.39 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1t62 h ALA 2121CO 0.02 -0.35 -0.10 -0.09 0.00 0.00 0.00 179.25 178.73 1t62 h ARG 2122N 0.17 -0.28 -0.39 0.00 2.43 -1.10 -0.04 114.38 115.18 1t62 h ARG 2122Ca 0.18 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.44 1t62 h ARG 2122Cb 0.22 0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 29.74 1t62 h ARG 2122CO -0.25 -0.07 -0.38 0.35 -1.51 0.00 0.00 179.97 178.11 1t62 h PHE 2123N -0.43 -1.07 0.00 2.20 3.57 -0.98 -0.30 116.94 119.92 1t62 h PHE 2123Ca -0.03 0.06 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 1t62 h PHE 2123Cb 0.33 0.52 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 1t62 h PHE 2123CO -0.02 -0.41 -0.42 0.74 -2.23 0.00 0.00 178.31 175.97 1t62 h PHE 2124N -0.30 0.00 0.04 0.41 -1.00 -1.14 -2.03 116.94 112.93 1t62 h PHE 2124Ca 0.15 0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.96 1t62 h PHE 2124Cb 0.57 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.09 1t62 h PHE 2124CO -0.57 0.42 -0.25 -0.22 -1.61 0.00 0.00 178.31 176.08 1t62 h LYS 2125N 0.00 -0.39 -0.39 1.51 1.63 0.67 0.30 116.57 119.89 1t62 h LYS 2125Ca -0.00 0.03 -0.08 0.00 -0.85 0.00 0.00 60.65 59.74 1t62 h LYS 2125Cb 0.84 0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.54 1t62 h LYS 2125CO 0.05 -0.26 -0.08 0.93 -3.45 0.00 0.00 179.45 176.65 1t62 h GLU 2126N -0.41 0.67 -0.06 1.90 5.08 -1.06 -1.81 114.58 118.90 1t62 h GLU 2126Ca 0.05 -0.20 -0.15 0.00 -1.00 0.00 0.00 59.36 58.06 1t62 h GLU 2126Cb 0.47 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1t62 h GLU 2126CO -0.19 0.74 -0.63 1.49 -1.00 0.00 0.00 179.01 179.42 1t62 h GLU 2127N 0.62 0.22 -0.01 2.33 4.81 -0.80 -3.31 114.58 118.45 1t62 h GLU 2127Ca 0.11 -0.16 -0.17 0.00 -0.13 0.00 0.00 59.36 59.02 1t62 h GLU 2127Cb 0.50 0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.92 1t62 h GLU 2127CO 0.03 0.78 -0.64 -0.07 -0.73 0.00 0.00 179.01 178.37 1t62 h LEU 2128N 0.16 0.58 -0.81 1.64 3.38 -0.17 -3.38 115.31 116.71 1t62 h LEU 2128Ca -0.01 -0.75 0.09 0.00 0.09 0.00 0.00 57.88 57.30 1t62 h LEU 2128Cb 1.14 -0.18 -0.11 0.00 0.09 0.00 0.00 40.66 41.61 1t62 h LEU 2128CO 0.10 1.25 -0.43 0.00 0.09 0.00 0.00 178.44 179.45 1t62 n ALA 2129N -2.59 -0.40 0.31 1.53 0.00 -0.70 -0.31 120.51 118.35 1t62 n ALA 2129Ca -0.10 0.72 0.13 0.00 0.00 0.00 0.00 53.44 54.19 1t62 n ALA 2129Cb 0.69 -0.18 0.66 0.00 0.00 0.00 0.00 19.45 20.62 1t62 n ALA 2129CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1t62 h PRO 2130N 0.00 0.00 -0.69 0.00 0.13 -1.76 1.15 132.00 130.83 1t62 h PRO 2130Ca 0.17 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.26 1t62 h PRO 2130Cb 0.37 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.48 1t62 h PRO 2130CO -0.77 0.00 0.05 0.66 -0.23 0.00 0.00 178.00 177.71 1t62 n TYR 2131N -2.89 1.80 -3.62 1.56 4.02 0.58 -4.93 117.16 113.69 1t62 n TYR 2131Ca -0.00 -0.69 -0.26 0.00 -0.01 0.00 0.00 57.90 56.93 1t62 n TYR 2131Cb 0.53 -0.48 0.03 0.00 -0.02 0.00 0.00 39.34 39.40 1t62 n TYR 2131CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1t62 n GLN 2132N 0.39 -1.24 -3.55 -0.72 6.02 0.40 -4.98 117.38 113.68 1t62 n GLN 2132Ca 0.25 0.65 -0.10 0.00 -0.01 0.00 0.00 57.00 57.80 1t62 n GLN 2132Cb 1.08 -3.96 -0.10 0.00 1.02 0.00 0.00 30.24 28.28 1t62 n GLN 2132CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1t62 s LEU 2133N -5.86 -0.55 0.10 1.08 0.20 -1.24 -5.04 118.68 107.37 1t62 s LEU 2133Ca 0.32 0.62 -0.30 0.00 0.69 0.00 0.00 54.13 55.45 1t62 s LEU 2133Cb -0.12 1.11 -0.06 0.00 -0.43 0.00 0.00 46.19 46.69 1t62 s LEU 2133CO 0.86 -0.26 1.13 -1.10 -0.29 0.00 0.00 176.35 176.68 1t62 s GLN 2134N 2.54 4.51 0.05 1.98 -0.21 -1.26 -3.65 119.66 123.62 1t62 s GLN 2134Ca 0.04 1.69 -0.30 0.00 0.02 0.00 0.00 55.36 56.81 1t62 s GLN 2134Cb -0.13 -3.34 -0.08 0.00 1.00 0.00 0.00 33.01 30.46 1t62 s GLN 2134CO -0.13 -0.10 1.75 0.12 -2.12 0.00 0.00 175.29 174.82 1t62 s PHE 2135N 0.55 2.04 0.26 0.91 5.36 -1.26 -5.01 117.98 120.83 1t62 s PHE 2135Ca 0.54 0.07 0.06 0.00 -0.96 0.00 0.00 56.93 56.64 1t62 s PHE 2135Cb -0.28 -4.05 -0.03 0.00 -0.34 0.00 0.00 43.02 38.32 1t62 s PHE 2135CO 0.31 -4.40 0.30 1.52 -1.46 0.00 0.00 175.22 171.50 1t62 s TYR 2136N 3.33 3.27 0.51 10.12 1.13 -1.26 -5.03 117.35 129.43 1t62 s TYR 2136Ca 0.78 -0.08 0.24 0.00 -1.41 0.00 0.00 57.07 56.60 1t62 s TYR 2136Cb -0.40 -1.55 1.50 0.00 -1.10 0.00 0.00 41.96 40.41 1t62 s TYR 2136CO 0.34 0.42 2.15 -1.35 -2.51 0.00 0.00 175.55 174.61 1t62 h PRO 2137N 1.27 0.00 -0.47 -3.49 0.11 -2.03 -3.23 132.00 124.16 1t62 h PRO 2137Ca -0.50 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.26 1t62 h PRO 2137Cb 1.24 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 32.03 1t62 h PRO 2137CO 0.60 0.06 -0.79 -0.40 -0.21 0.00 0.00 178.00 177.26 1t62 n ASP 2138N -4.01 3.45 -4.74 -2.05 3.85 -1.26 -3.69 116.55 108.10 1t62 n ASP 2138Ca -0.03 -3.47 -0.41 0.00 -0.71 0.00 0.00 54.79 50.17 1t62 n ASP 2138Cb 0.14 -0.40 -0.02 0.00 -1.35 0.00 0.00 41.12 39.49 1t62 n ASP 2138CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1t62 s MET 2139N -3.33 4.26 0.35 0.11 0.23 -1.22 -4.37 119.30 115.33 1t62 s MET 2139Ca 0.44 2.32 -0.29 0.00 -1.03 0.00 0.00 55.69 57.13 1t62 s MET 2139Cb 0.39 -3.11 -0.11 0.00 -1.53 0.00 0.00 34.83 30.47 1t62 s MET 2139CO -0.01 -0.44 1.50 -0.51 -2.03 0.00 0.00 175.02 173.53 1t62 s LEU 2140N -0.31 4.33 0.10 0.18 1.02 -1.26 -2.36 118.68 120.38 1t62 s LEU 2140Ca 0.60 3.00 0.07 0.00 0.02 0.00 0.00 54.13 57.82 1t62 s LEU 2140Cb -0.42 -3.66 -0.04 0.00 0.02 0.00 0.00 46.19 42.09 1t62 s LEU 2140CO 0.43 -0.86 -0.09 -0.76 0.02 0.00 0.00 176.35 175.08 1t62 s LEU 2141N -1.70 3.06 -0.42 1.79 1.43 0.09 -2.47 118.68 120.47 1t62 s LEU 2141Ca 0.55 -0.37 -0.09 0.00 -1.03 0.00 0.00 54.13 53.20 1t62 s LEU 2141Cb -0.46 -1.85 0.08 0.00 0.03 0.00 0.00 46.19 43.99 1t62 s LEU 2141CO 0.59 0.18 0.25 -0.69 0.23 0.00 0.00 176.35 176.91 1t62 s VAL 2142N -1.21 4.13 -0.14 -1.59 1.01 0.70 -1.88 120.40 121.41 1t62 s VAL 2142Ca 0.21 -1.45 -0.11 0.00 0.00 0.00 0.00 61.98 60.63 1t62 s VAL 2142Cb -0.11 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 1t62 s VAL 2142CO 0.14 -0.52 0.22 0.00 0.00 0.00 0.00 175.10 174.94 1t62 s GLN 2144N -0.18 2.24 -0.21 0.00 -0.21 -0.95 0.50 119.66 120.85 1t62 s GLN 2144Ca 0.15 -0.79 -0.01 0.00 0.02 0.00 0.00 55.36 54.73 1t62 s GLN 2144Cb -0.13 -1.92 0.02 0.00 1.00 0.00 0.00 33.01 31.98 1t62 s GLN 2144CO 0.03 0.33 -0.12 -1.12 -2.12 0.00 0.00 175.29 172.29 1t62 s SER 2145N -0.09 3.78 0.39 5.90 0.01 -0.09 -2.01 113.70 121.60 1t62 s SER 2145Ca -0.04 -0.67 0.03 0.00 1.31 0.00 0.00 55.95 56.59 1t62 s SER 2145Cb -0.13 -1.60 -0.04 0.00 0.21 0.00 0.00 66.02 64.47 1t62 s SER 2145CO 0.03 -0.04 0.09 0.72 0.41 0.00 0.00 173.24 174.45 1t62 s PHE 2146N 1.34 1.86 -0.02 2.43 -0.71 -0.83 0.79 117.98 122.85 1t62 s PHE 2146Ca 0.03 -1.13 0.02 0.00 -1.04 0.00 0.00 56.93 54.81 1t62 s PHE 2146Cb -0.15 -1.26 0.00 0.00 -1.21 0.00 0.00 43.02 40.41 1t62 s PHE 2146CO -0.08 -0.12 -0.06 -1.83 -1.34 0.00 0.00 175.22 171.79 1t62 s GLU 2147N -3.79 0.58 -0.18 1.99 -1.05 0.09 -4.78 118.70 111.56 1t62 s GLU 2147Ca 0.26 -0.18 -0.29 0.00 -0.15 0.00 0.00 54.97 54.61 1t62 s GLU 2147Cb 0.05 -0.58 -0.03 0.00 -0.44 0.00 0.00 34.13 33.13 1t62 s GLU 2147CO 0.14 0.07 1.61 0.08 0.95 0.00 0.00 175.26 178.11 1t62 s VAL 2148N 0.16 3.70 -1.28 1.83 1.01 -1.26 -1.07 120.40 123.49 1t62 s VAL 2148Ca -0.02 0.81 0.19 0.00 0.00 0.00 0.00 61.98 62.96 1t62 s VAL 2148Cb -0.06 -3.66 -0.12 0.00 0.00 0.00 0.00 36.38 32.53 1t62 s VAL 2148CO -0.00 -0.23 0.89 0.55 0.00 0.00 0.00 175.10 176.30 1t62 n VAL 2149N 6.15 0.00 -3.64 2.92 3.14 0.31 -4.95 118.33 122.26 1t62 n VAL 2149Ca 0.18 -0.15 -0.05 0.00 -2.96 0.00 0.00 64.34 61.36 1t62 n VAL 2149Cb 0.45 1.10 -0.07 0.00 -1.06 0.00 0.00 33.84 34.26 1t62 n VAL 2149CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1t62 s ASP 2150N -2.57 -0.17 0.02 6.55 3.68 -0.90 -4.94 116.67 118.35 1t62 s ASP 2150Ca 0.11 0.31 0.03 0.00 2.13 0.00 0.00 52.55 55.13 1t62 s ASP 2150Cb 0.15 0.30 -0.04 0.00 -1.45 0.00 0.00 42.92 41.89 1t62 s ASP 2150CO 0.67 -0.07 -0.03 -0.76 0.13 0.00 0.00 175.17 175.11 1t62 s LEU 2151N -0.06 3.37 -0.97 -1.34 1.43 -1.26 0.06 118.68 119.91 1t62 s LEU 2151Ca 0.06 -0.11 -0.21 0.00 -1.03 0.00 0.00 54.13 52.84 1t62 s LEU 2151Cb -0.04 -1.98 0.08 0.00 0.03 0.00 0.00 46.19 44.28 1t62 s LEU 2151CO -0.12 0.25 1.31 -0.47 0.23 0.00 0.00 176.35 177.55 1t62 s TYR 2152N -1.11 2.75 -2.68 0.29 6.14 0.55 -4.77 117.35 118.52 1t62 s TYR 2152Ca 0.20 -1.02 0.25 0.00 0.64 0.00 0.00 57.07 57.14 1t62 s TYR 2152Cb -0.11 -4.52 0.61 0.00 0.42 0.00 0.00 41.96 38.36 1t62 s TYR 2152CO 0.11 -1.76 1.50 0.25 0.64 0.00 0.00 175.55 176.29 1t62 n THR 2153N 6.31 0.06 0.31 4.34 -2.24 -1.26 -3.88 114.28 117.92 1t62 n THR 2153Ca 0.28 -0.40 0.15 0.00 -2.27 0.00 0.00 64.05 61.80 1t62 n THR 2153Cb 0.50 0.94 0.67 0.00 -2.10 0.00 0.00 70.33 70.34 1t62 n THR 2153CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1t62 h GLU 2154N 3.50 0.00 0.00 -0.78 3.07 -1.98 -2.65 114.58 115.73 1t62 h GLU 2154Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1t62 h GLU 2154Cb 0.75 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.66 1t62 h GLU 2154CO 0.00 0.00 -0.02 -0.22 -1.40 0.00 0.00 179.01 177.37 1t62 h LYS 2155N 0.00 0.00 -0.10 2.33 3.64 -1.95 -2.38 116.57 118.10 1t62 h LYS 2155Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1t62 h LYS 2155Cb 0.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1t62 h LYS 2155CO 0.00 0.02 0.00 0.39 -2.27 0.00 0.00 179.45 177.59 1t62 n GLU 2156N -3.97 1.37 -0.00 1.90 4.71 -1.00 -3.95 120.64 119.69 1t62 n GLU 2156Ca -0.03 -0.55 0.05 0.00 -0.01 0.00 0.00 57.16 56.62 1t62 n GLU 2156Cb 0.10 -1.29 -0.08 0.00 -1.01 0.00 0.00 31.44 29.17 1t62 n GLU 2156CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1t62 n GLU 2157N -0.18 1.43 0.00 3.49 -0.58 -0.90 -4.89 120.64 119.02 1t62 n GLU 2157Ca 0.13 -0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 1t62 n GLU 2157Cb 0.18 -1.18 0.00 0.00 -0.57 0.00 0.00 31.44 29.88 1t62 n GLU 2157CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1t62 n GLY 2158N 1.65 -0.21 0.00 0.62 0.00 -1.25 -5.04 105.19 100.96 1t62 n GLY 2158Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1t62 n GLY 2158CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t62 n GLY 2159N 2.16 0.87 1.93 -0.02 0.00 -1.26 -4.95 105.19 103.91 1t62 n GLY 2159Ca 0.00 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 1t62 n GLY 2159CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1t62 n SER 2160N 0.00 6.02 -4.03 1.61 2.88 -1.26 -4.68 113.62 114.16 1t62 n SER 2160Ca 0.00 -2.85 -0.33 0.00 -1.33 0.00 0.00 58.87 54.36 1t62 n SER 2160Cb 0.00 -1.16 -0.10 0.00 -0.75 0.00 0.00 64.21 62.20 1t62 n SER 2160CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1t62 s HIS 2161N -0.94 3.59 0.00 0.66 4.02 -1.26 -4.83 115.29 116.53 1t62 s HIS 2161Ca 0.34 -3.05 0.00 0.00 1.02 0.00 0.00 55.06 53.37 1t62 s HIS 2161Cb 0.22 -3.04 0.00 0.00 -1.02 0.00 0.00 32.58 28.75 1t62 s HIS 2161CO -0.05 -0.71 0.00 1.58 1.02 0.00 0.00 174.74 176.58 1t62 n HIS 2162N 2.63 0.00 -4.88 1.40 -0.00 -1.26 -5.13 115.22 107.97 1t62 n HIS 2162Ca 0.15 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.57 1t62 n HIS 2162Cb 0.36 -0.52 -0.14 0.00 -0.00 0.00 0.00 29.99 29.69 1t62 n HIS 2162CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1t62 s HIS 2163N 0.00 2.35 -0.21 1.57 3.76 -1.26 -5.12 115.29 116.38 1t62 s HIS 2163Ca 0.00 -0.39 -0.15 0.00 -0.15 0.00 0.00 55.06 54.37 1t62 s HIS 2163Cb 0.00 -1.40 -0.04 0.00 1.11 0.00 0.00 32.58 32.25 1t62 s HIS 2163CO 0.00 0.14 0.36 -1.01 -0.85 0.00 0.00 174.74 173.38 1t62 s HIS 2164N -0.82 3.36 -0.18 1.40 3.76 -1.26 -5.06 115.29 116.49 1t62 s HIS 2164Ca 0.12 0.54 -0.06 0.00 -0.15 0.00 0.00 55.06 55.51 1t62 s HIS 2164Cb -0.10 -2.49 -0.03 0.00 1.11 0.00 0.00 32.58 31.07 1t62 s HIS 2164CO 0.02 -0.01 0.03 -1.01 -0.85 0.00 0.00 174.74 172.92 1t62 s HIS 2165N 1.32 3.15 -2.60 1.40 3.76 -1.26 -5.32 115.29 115.75 1t62 s HIS 2165Ca 0.17 -0.11 0.21 0.00 -0.15 0.00 0.00 55.06 55.18 1t62 s HIS 2165Cb -0.15 -2.05 0.16 0.00 1.11 0.00 0.00 32.58 31.66 1t62 s HIS 2165CO 0.07 0.03 1.16 1.58 -0.85 0.00 0.00 174.74 176.74