#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fap s ALA 2020N 0.00 3.14 -0.03 1.55 0.00 -1.26 -5.10 121.76 120.06 2fap s ALA 2020Ca 0.00 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 50.96 2fap s ALA 2020Cb 0.00 -1.89 0.01 0.00 0.00 0.00 0.00 23.12 21.25 2fap s ALA 2020CO 0.00 -0.18 0.07 -1.50 0.00 0.00 0.00 175.76 174.15 2fap s ILE 2021N 1.05 -0.02 0.20 0.00 2.07 -1.26 -5.13 121.20 118.11 2fap s ILE 2021Ca 0.03 0.06 -0.30 0.00 -1.41 0.00 0.00 60.65 59.03 2fap s ILE 2021Cb -0.14 -0.11 -0.09 0.00 0.13 0.00 0.00 42.46 42.24 2fap s ILE 2021CO 0.02 0.02 1.40 -0.76 -1.91 0.00 0.00 174.94 173.72 2fap s LEU 2022N 0.36 4.39 0.44 8.50 1.43 -1.26 -4.90 118.68 127.65 2fap s LEU 2022Ca -0.03 2.51 0.14 0.00 -1.03 0.00 0.00 54.13 55.73 2fap s LEU 2022Cb -0.04 -3.61 1.05 0.00 0.03 0.00 0.00 46.19 43.62 2fap s LEU 2022CO -0.01 -0.65 2.00 -0.50 0.23 0.00 0.00 176.35 177.42 2fap h TRP 2023N 5.63 0.39 -0.58 0.29 4.06 -1.99 0.86 115.95 124.61 2fap h TRP 2023Ca -0.45 0.01 0.06 0.00 2.06 0.00 0.00 58.89 60.57 2fap h TRP 2023Cb 1.21 -0.13 -0.05 0.00 -1.00 0.00 0.00 29.16 29.20 2fap h TRP 2023CO 0.62 0.19 0.30 0.45 -3.56 0.00 0.00 178.44 176.44 2fap h HIS 2024N 0.37 0.54 0.14 0.49 3.86 -1.91 -1.49 115.15 117.16 2fap h HIS 2024Ca 0.25 0.02 -0.27 0.00 -1.16 0.00 0.00 60.37 59.21 2fap h HIS 2024Cb 0.48 -0.16 0.03 0.00 1.06 0.00 0.00 27.41 28.82 2fap h HIS 2024CO -0.00 0.25 -1.15 1.49 0.86 0.00 0.00 177.93 179.38 2fap h GLU 2025N 0.56 0.53 -0.48 2.45 4.81 -1.31 -2.85 114.58 118.29 2fap h GLU 2025Ca 0.26 -0.76 0.06 0.00 -0.13 0.00 0.00 59.36 58.79 2fap h GLU 2025Cb 0.18 0.26 -0.05 0.00 0.63 0.00 0.00 28.75 29.78 2fap h GLU 2025CO -0.19 1.34 0.20 1.98 -0.73 0.00 0.00 179.01 181.62 2fap h MET 2026N 0.09 0.38 -0.00 1.92 4.05 -0.76 -2.10 114.93 118.51 2fap h MET 2026Ca -0.18 -0.02 -0.15 0.00 -0.28 0.00 0.00 59.70 59.06 2fap h MET 2026Cb 1.86 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 32.56 2fap h MET 2026CO 0.22 0.25 -0.71 -1.49 0.23 0.00 0.00 176.91 175.42 2fap h TRP 2027N 0.39 0.04 0.73 1.39 4.06 -1.35 -1.40 115.95 119.81 2fap h TRP 2027Ca 0.22 -0.02 -0.04 0.00 2.06 0.00 0.00 58.89 61.12 2fap h TRP 2027Cb 0.19 -0.01 0.01 0.00 -1.00 0.00 0.00 29.16 28.36 2fap h TRP 2027CO -0.14 0.73 -0.35 1.25 -3.56 0.00 0.00 178.44 176.37 2fap h HIS 2028N 0.02 -0.91 -0.19 0.49 2.76 -1.18 -1.18 115.15 114.96 2fap h HIS 2028Ca -0.01 -0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.04 2fap h HIS 2028Cb 1.25 0.30 -0.01 0.00 1.55 0.00 0.00 27.41 30.50 2fap h HIS 2028CO 0.00 -0.55 -0.32 1.05 -1.30 0.00 0.00 177.93 176.82 2fap h GLU 2029N -1.09 0.38 -0.06 5.26 4.11 -1.46 -2.54 114.58 119.18 2fap h GLU 2029Ca -0.10 -0.16 -0.00 0.00 0.07 0.00 0.00 59.36 59.17 2fap h GLU 2029Cb 0.77 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 2fap h GLU 2029CO 0.17 0.66 0.03 0.78 0.07 0.00 0.00 179.01 180.72 2fap h GLY 2030N 1.08 0.08 1.32 1.06 0.00 -1.21 -1.92 103.07 103.48 2fap h GLY 2030Ca 0.04 -0.03 -0.09 0.00 0.00 0.00 0.00 47.33 47.25 2fap h GLY 2030CO 0.06 0.03 -0.06 1.41 0.00 0.00 0.00 176.54 177.98 2fap h LEU 2031N 0.04 0.79 -0.51 3.11 3.38 -1.19 -1.11 115.31 119.82 2fap h LEU 2031Ca 0.02 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.78 2fap h LEU 2031Cb 0.03 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2fap h LEU 2031CO -0.00 0.89 0.34 -0.08 0.09 0.00 0.00 178.44 179.68 2fap h GLU 2032N 0.74 0.67 -0.03 1.13 4.81 -1.37 -1.42 114.58 119.11 2fap h GLU 2032Ca 0.13 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2fap h GLU 2032Cb 0.54 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 2fap h GLU 2032CO 0.03 0.44 0.01 0.93 -0.73 0.00 0.00 179.01 179.69 2fap h GLU 2033N 0.69 0.04 -0.97 1.92 4.39 -1.02 -1.87 114.58 117.77 2fap h GLU 2033Ca 0.19 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.90 2fap h GLU 2033Cb -0.08 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.52 2fap h GLU 2033CO -0.04 0.19 0.64 0.00 -1.16 0.00 0.00 179.01 178.63 2fap h ALA 2034N 0.85 1.24 -0.05 3.43 0.00 -1.09 -1.91 119.26 121.74 2fap h ALA 2034Ca 0.01 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 2fap h ALA 2034Cb 0.16 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2fap h ALA 2034CO -0.00 0.60 -0.74 0.66 0.00 0.00 0.00 179.25 179.77 2fap h SER 2035N 1.29 0.35 -0.02 0.00 4.64 -1.13 -1.34 113.55 117.33 2fap h SER 2035Ca 0.36 -0.23 0.01 0.00 -0.47 0.00 0.00 61.79 61.45 2fap h SER 2035Cb -0.12 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 61.86 2fap h SER 2035CO -0.09 0.96 -0.01 -0.09 -0.87 0.00 0.00 176.83 176.73 2fap h ARG 2036N 0.19 -0.01 -0.19 4.77 2.43 -1.17 0.18 114.38 120.58 2fap h ARG 2036Ca -0.03 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 2fap h ARG 2036Cb 1.30 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.85 2fap h ARG 2036CO 0.12 -0.01 0.06 -0.07 -1.51 0.00 0.00 179.97 178.56 2fap h LEU 2037N -0.01 0.28 0.48 3.80 3.38 -1.17 0.27 115.31 122.34 2fap h LEU 2037Ca 0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 2fap h LEU 2037Cb 0.03 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2fap h LEU 2037CO -0.03 0.41 -0.23 0.22 0.09 0.00 0.00 178.44 178.90 2fap h TYR 2038N 0.14 -0.60 -0.11 1.13 3.20 -1.27 0.35 116.97 119.82 2fap h TYR 2038Ca 0.06 -0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.78 2fap h TYR 2038Cb 0.23 0.20 0.01 0.00 1.54 0.00 0.00 36.73 38.70 2fap h TYR 2038CO 0.00 -0.37 -0.47 0.74 -1.64 0.00 0.00 178.16 176.41 2fap h PHE 2039N -1.05 0.68 0.13 -3.82 0.04 -1.04 -1.93 116.94 109.96 2fap h PHE 2039Ca -0.07 -0.30 -0.30 0.00 2.80 0.00 0.00 57.97 60.11 2fap h PHE 2039Cb 0.50 -0.11 0.03 0.00 2.20 0.00 0.00 35.95 38.57 2fap h PHE 2039CO 0.02 1.07 -1.26 0.78 -0.60 0.00 0.00 178.31 178.31 2fap h GLY 2040N 0.11 0.69 -0.43 -1.45 0.00 -0.46 -3.38 103.07 98.15 2fap h GLY 2040Ca -0.03 -1.46 0.00 0.00 0.00 0.00 0.00 47.33 45.84 2fap h GLY 2040CO 0.10 1.28 -0.01 1.18 0.00 0.00 0.00 176.54 179.10 2fap n GLU 2041N -3.78 -0.03 -1.93 4.80 1.02 -0.85 -4.99 120.64 114.90 2fap n GLU 2041Ca -0.14 -0.80 -0.18 0.00 -0.02 0.00 0.00 57.16 56.02 2fap n GLU 2041Cb 0.99 -1.09 -0.05 0.00 -0.02 0.00 0.00 31.44 31.28 2fap n GLU 2041CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2fap n ARG 2042N 0.26 -1.37 -3.21 3.49 3.00 -0.65 -4.94 116.66 113.25 2fap n ARG 2042Ca 0.03 1.03 -0.46 0.00 -0.01 0.00 0.00 57.85 58.44 2fap n ARG 2042Cb 0.14 -5.42 -0.03 0.00 0.00 0.00 0.00 32.46 27.15 2fap n ARG 2042CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 2fap s ASN 2043N -2.50 6.65 0.10 0.55 3.84 0.12 -4.85 114.94 118.85 2fap s ASN 2043Ca 0.00 -2.38 -0.03 0.00 0.21 0.00 0.00 52.86 50.66 2fap s ASN 2043Cb 0.00 -2.27 -0.20 0.00 -0.55 0.00 0.00 41.25 38.24 2fap s ASN 2043CO 0.00 -0.76 1.22 0.58 -2.79 0.00 0.00 177.10 175.35 2fap h VAL 2044N 5.20 1.48 -0.26 -5.21 2.07 -1.89 -2.15 116.25 115.49 2fap h VAL 2044Ca 0.07 -2.84 -0.01 0.00 0.82 0.00 0.00 66.70 64.74 2fap h VAL 2044Cb 1.04 2.74 -0.01 0.00 -1.52 0.00 0.00 31.29 33.54 2fap h VAL 2044CO 0.89 0.83 0.14 0.50 0.02 0.00 0.00 177.57 179.95 2fap h LYS 2045N 0.12 0.37 -0.36 1.57 3.64 -1.97 -1.90 116.57 118.04 2fap h LYS 2045Ca -0.11 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.18 2fap h LYS 2045Cb 1.80 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.53 2fap h LYS 2045CO 0.18 0.34 0.02 0.78 -2.27 0.00 0.00 179.45 178.50 2fap h GLY 2046N 0.30 0.60 0.78 5.01 0.00 -1.96 -1.92 103.07 105.88 2fap h GLY 2046Ca 0.09 -0.35 0.04 0.00 0.00 0.00 0.00 47.33 47.11 2fap h GLY 2046CO -0.01 0.33 0.25 1.98 0.00 0.00 0.00 176.54 179.08 2fap h MET 2047N 0.54 0.48 -0.35 4.80 1.85 -0.98 -2.33 114.93 118.93 2fap h MET 2047Ca 0.12 -0.03 -0.05 0.00 -0.61 0.00 0.00 59.70 59.13 2fap h MET 2047Cb 0.32 -0.11 -0.02 0.00 0.43 0.00 0.00 31.60 32.22 2fap h MET 2047CO 0.01 0.32 0.00 0.74 -0.40 0.00 0.00 176.91 177.58 2fap h PHE 2048N 0.50 0.57 -0.37 1.39 0.04 -0.84 -2.68 116.94 115.54 2fap h PHE 2048Ca 0.20 -0.06 0.02 0.00 2.80 0.00 0.00 57.97 60.94 2fap h PHE 2048Cb 0.09 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.05 2fap h PHE 2048CO -0.09 0.55 0.20 0.93 -0.60 0.00 0.00 178.31 179.30 2fap h GLU 2049N 0.52 0.39 0.01 1.51 5.08 -0.82 -2.18 114.58 119.09 2fap h GLU 2049Ca 0.11 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.24 2fap h GLU 2049Cb 0.33 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2fap h GLU 2049CO 0.01 0.26 -0.96 -0.39 -1.00 0.00 0.00 179.01 176.93 2fap h VAL 2050N 0.40 1.63 0.25 3.13 -1.51 -1.37 -3.36 116.25 115.42 2fap h VAL 2050Ca 0.15 -3.13 -0.33 0.00 -1.23 0.00 0.00 66.70 62.16 2fap h VAL 2050Cb 0.04 2.72 0.04 0.00 -2.13 0.00 0.00 31.29 31.96 2fap h VAL 2050CO -0.09 0.90 -1.47 -0.07 -1.23 0.00 0.00 177.57 175.61 2fap h LEU 2051N 0.02 0.81 -0.39 4.19 4.07 -1.37 -3.36 115.31 119.27 2fap h LEU 2051Ca -0.03 -0.87 0.05 0.00 0.08 0.00 0.00 57.88 57.11 2fap h LEU 2051Cb 1.67 -0.26 -0.04 0.00 1.08 0.00 0.00 40.66 43.10 2fap h LEU 2051CO 0.13 1.68 0.13 -0.08 -1.08 0.00 0.00 178.44 179.22 2fap h GLU 2052N 0.14 0.27 -0.92 1.13 4.81 -1.54 -1.95 114.58 116.52 2fap h GLU 2052Ca -0.25 -0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.11 2fap h GLU 2052Cb 2.16 -0.06 -0.09 0.00 0.63 0.00 0.00 28.75 31.38 2fap h GLU 2052CO 0.27 0.18 0.53 -1.35 -0.73 0.00 0.00 179.01 177.91 2fap h PRO 2053N 0.28 0.74 -0.22 0.92 0.11 -1.75 -0.20 132.00 131.89 2fap h PRO 2053Ca 0.18 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.10 2fap h PRO 2053Cb 0.17 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 2fap h PRO 2053CO -0.20 0.49 -0.46 -0.07 -0.21 0.00 0.00 178.00 177.55 2fap h LEU 2054N 0.77 0.61 -0.90 2.35 3.38 -1.54 -1.24 115.31 118.73 2fap h LEU 2054Ca 0.49 -0.29 -0.11 0.00 0.09 0.00 0.00 57.88 58.06 2fap h LEU 2054Cb 0.65 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2fap h LEU 2054CO -0.33 0.98 -0.50 0.45 0.09 0.00 0.00 178.44 179.13 2fap h HIS 2055N 0.45 0.15 -0.37 1.13 3.86 -0.81 -2.81 115.15 116.74 2fap h HIS 2055Ca 0.03 -0.05 -0.09 0.00 -1.16 0.00 0.00 60.37 59.11 2fap h HIS 2055Cb 0.98 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.41 2fap h HIS 2055CO 0.04 0.60 -0.10 0.00 0.86 0.00 0.00 177.93 179.32 2fap h ALA 2056N 1.40 0.51 -0.58 2.45 0.00 -0.63 -2.73 119.26 119.68 2fap h ALA 2056Ca 0.00 -0.31 0.08 0.00 0.00 0.00 0.00 54.91 54.67 2fap h ALA 2056Cb 0.92 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 2fap h ALA 2056CO 0.07 0.38 0.25 1.98 0.00 0.00 0.00 179.25 181.93 2fap h MET 2057N 0.52 0.44 0.00 0.00 -1.53 -1.15 -0.73 114.93 112.49 2fap h MET 2057Ca 0.09 -0.03 -0.00 0.00 -3.44 0.00 0.00 59.70 56.32 2fap h MET 2057Cb 0.62 -0.10 -0.00 0.00 -0.55 0.00 0.00 31.60 31.57 2fap h MET 2057CO 0.04 0.29 -0.01 0.52 0.14 0.00 0.00 176.91 177.89 2fap h MET 2058N 0.45 0.00 -0.16 0.39 2.86 -1.40 -2.98 114.93 114.10 2fap h MET 2058Ca 0.28 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.79 2fap h MET 2058Cb 0.30 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 2fap h MET 2058CO -0.25 0.01 -0.46 1.49 1.06 0.00 0.00 176.91 178.75 2fap h GLU 2059N 0.00 0.41 0.00 1.72 4.81 -0.81 -2.70 114.58 118.00 2fap h GLU 2059Ca -0.00 -0.22 -0.04 0.00 -0.13 0.00 0.00 59.36 58.97 2fap h GLU 2059Cb 0.02 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2fap h GLU 2059CO 0.00 0.79 -0.17 0.07 -0.73 0.00 0.00 179.01 178.98 2fap h ARG 2060N 0.33 0.00 0.00 1.92 0.11 -1.39 -3.49 114.38 111.85 2fap h ARG 2060Ca 0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.10 2fap h ARG 2060Cb 0.94 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.02 2fap h ARG 2060CO 0.08 0.17 0.00 0.41 0.10 0.00 0.00 179.97 180.73 2fap n GLY 2061N 0.49 1.85 3.76 0.08 0.00 -1.02 -4.99 105.19 105.36 2fap n GLY 2061Ca 0.01 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.79 2fap n GLY 2061CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2fap s PRO 2062N -3.20 4.45 0.00 1.61 0.04 -1.26 -4.94 135.00 131.70 2fap s PRO 2062Ca 0.00 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.11 2fap s PRO 2062Cb 0.00 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.42 2fap s PRO 2062CO 0.00 -0.07 0.08 1.04 0.04 0.00 0.00 177.00 178.09 2fap n GLN 2063N 1.10 4.60 -4.50 4.56 6.02 -1.26 -4.90 117.38 123.01 2fap n GLN 2063Ca 0.00 -0.08 -0.24 0.00 -0.01 0.00 0.00 57.00 56.67 2fap n GLN 2063Cb 0.43 -0.52 -0.10 0.00 1.02 0.00 0.00 30.24 31.06 2fap n GLN 2063CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2fap s THR 2064N -0.68 1.25 0.27 5.09 -4.23 -1.26 -5.04 115.64 111.04 2fap s THR 2064Ca 0.00 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.50 2fap s THR 2064Cb 0.00 -2.74 0.13 0.00 1.34 0.00 0.00 72.50 71.23 2fap s THR 2064CO 0.00 0.00 1.79 -0.07 -0.54 0.00 0.00 174.62 175.80 2fap h LEU 2065N 1.98 0.76 -0.53 4.79 4.07 -1.99 -1.13 115.31 123.27 2fap h LEU 2065Ca -0.41 -0.16 -0.15 0.00 0.08 0.00 0.00 57.88 57.25 2fap h LEU 2065Cb 1.25 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 42.77 2fap h LEU 2065CO 0.70 0.79 -0.70 0.11 -1.08 0.00 0.00 178.44 178.26 2fap h LYS 2066N 0.76 0.00 0.01 1.13 1.57 -1.99 -0.98 116.57 117.07 2fap h LYS 2066Ca 0.16 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.75 2fap h LYS 2066Cb 0.37 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 2fap h LYS 2066CO 0.01 0.70 -0.86 0.93 -0.57 0.00 0.00 179.45 179.65 2fap h GLU 2067N 0.00 0.11 -0.18 3.15 5.08 -1.93 -2.83 114.58 117.98 2fap h GLU 2067Ca -0.01 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.18 2fap h GLU 2067Cb 1.28 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.56 2fap h GLU 2067CO 0.09 0.90 -0.10 1.15 -1.00 0.00 0.00 179.01 180.06 2fap h THR 2068N 0.06 1.31 -0.45 1.13 2.02 -0.84 -1.82 112.91 114.32 2fap h THR 2068Ca -0.03 -1.17 -0.08 0.00 0.77 0.00 0.00 66.41 65.90 2fap h THR 2068Cb 1.50 1.69 -0.02 0.00 -1.74 0.00 0.00 68.15 69.59 2fap h THR 2068CO 0.12 0.35 -0.04 0.77 0.37 0.00 0.00 175.52 177.09 2fap h SER 2069N 0.07 0.81 -0.69 4.18 4.64 -1.29 -0.83 113.55 120.44 2fap h SER 2069Ca 0.04 -0.33 0.07 0.00 -0.47 0.00 0.00 61.79 61.10 2fap h SER 2069Cb 0.59 -0.22 -0.06 0.00 -0.31 0.00 0.00 62.40 62.40 2fap h SER 2069CO 0.03 0.95 0.37 0.15 -0.87 0.00 0.00 176.83 177.46 2fap h PHE 2070N 0.66 0.68 -0.66 4.77 3.04 -1.54 -1.75 116.94 122.13 2fap h PHE 2070Ca 0.12 0.03 -0.07 0.00 3.98 0.00 0.00 57.97 62.02 2fap h PHE 2070Cb 0.56 -0.20 -0.03 0.00 2.56 0.00 0.00 35.95 38.84 2fap h PHE 2070CO 0.04 0.29 0.12 -0.97 -2.02 0.00 0.00 178.31 175.78 2fap h ASN 2071N 0.66 1.03 -0.12 0.41 -0.00 -0.91 0.14 115.58 116.79 2fap h ASN 2071Ca 0.32 -0.24 -0.08 0.00 -0.00 0.00 0.00 56.30 56.31 2fap h ASN 2071Cb 0.26 -0.27 -0.02 0.00 -0.00 0.00 0.00 38.32 38.29 2fap h ASN 2071CO -0.22 1.01 -0.15 1.56 -0.00 0.00 0.00 177.43 179.64 2fap h GLN 2072N 1.01 0.49 0.10 6.67 4.20 -0.73 0.41 115.11 127.26 2fap h GLN 2072Ca 0.20 -0.15 -0.22 0.00 0.06 0.00 0.00 58.65 58.54 2fap h GLN 2072Cb 0.42 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.15 2fap h GLN 2072CO 0.01 0.63 -1.11 0.00 -0.67 0.00 0.00 178.83 177.69 2fap h ALA 2073N 1.40 0.10 -0.00 3.87 0.00 -0.96 -3.41 119.26 120.25 2fap h ALA 2073Ca 0.08 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 54.04 2fap h ALA 2073Cb 0.52 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2fap h ALA 2073CO 0.03 0.62 -0.05 0.66 0.00 0.00 0.00 179.25 180.52 2fap n TYR 2074N -4.09 0.00 -0.21 0.00 4.01 0.00 -4.77 117.16 112.11 2fap n TYR 2074Ca -0.22 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.45 2fap n TYR 2074Cb 0.82 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.87 2fap n TYR 2074CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2fap h GLY 2075N 0.83 0.88 0.97 2.72 0.00 -1.00 -2.28 103.07 105.19 2fap h GLY 2075Ca 0.00 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 46.86 2fap h GLY 2075CO 0.00 0.39 0.06 -0.09 0.00 0.00 0.00 176.54 176.91 2fap h ARG 2076N 0.79 0.79 -0.61 4.80 2.43 -1.86 -2.58 114.38 118.13 2fap h ARG 2076Ca 0.20 -0.22 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 2fap h ARG 2076Cb 0.07 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 2fap h ARG 2076CO -0.03 0.81 0.19 -0.44 -1.51 0.00 0.00 179.97 178.99 2fap h ASP 2077N 0.65 0.88 -0.50 -3.80 3.32 -1.83 -1.10 116.42 114.04 2fap h ASP 2077Ca 0.14 -0.20 -0.12 0.00 0.02 0.00 0.00 57.03 56.87 2fap h ASP 2077Cb 0.41 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 2fap h ASP 2077CO 0.01 0.85 -0.15 -0.07 -1.72 0.00 0.00 179.24 178.16 2fap h LEU 2078N 0.86 1.01 -0.76 1.55 3.38 -1.43 -1.17 115.31 118.76 2fap h LEU 2078Ca 0.20 -0.35 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 2fap h LEU 2078Cb 0.28 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2fap h LEU 2078CO -0.01 1.15 -0.19 -0.03 0.09 0.00 0.00 178.44 179.45 2fap h MET 2079N 0.88 0.74 -0.39 1.13 4.05 -1.30 -1.47 114.93 118.57 2fap h MET 2079Ca 0.13 -0.28 -0.07 0.00 -0.28 0.00 0.00 59.70 59.20 2fap h MET 2079Cb 0.72 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.46 2fap h MET 2079CO 0.06 0.87 -0.05 1.49 0.23 0.00 0.00 176.91 179.51 2fap h GLU 2080N 0.65 0.72 -0.76 0.39 4.81 -1.10 -2.50 114.58 116.78 2fap h GLU 2080Ca 0.10 -0.25 0.03 0.00 -0.13 0.00 0.00 59.36 59.11 2fap h GLU 2080Cb 0.68 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.96 2fap h GLU 2080CO 0.05 0.84 0.49 0.00 -0.73 0.00 0.00 179.01 179.65 2fap h ALA 2081N 0.86 1.00 -0.88 2.92 0.00 -1.08 -1.38 119.26 120.69 2fap h ALA 2081Ca 0.10 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2fap h ALA 2081Cb 0.54 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 2fap h ALA 2081CO 0.03 0.29 0.58 0.37 0.00 0.00 0.00 179.25 180.52 2fap h GLN 2082N 0.95 1.05 -0.71 0.00 4.15 -1.21 -1.35 115.11 117.99 2fap h GLN 2082Ca 0.30 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.62 2fap h GLN 2082Cb 0.01 -0.24 -0.03 0.00 0.21 0.00 0.00 27.48 27.43 2fap h GLN 2082CO -0.11 0.69 0.29 0.93 -1.93 0.00 0.00 178.83 178.70 2fap h GLU 2083N 1.08 1.06 -0.22 1.69 4.39 -0.82 0.78 114.58 122.53 2fap h GLU 2083Ca 0.36 -0.19 -0.09 0.00 0.34 0.00 0.00 59.36 59.78 2fap h GLU 2083Cb 0.06 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 2fap h GLU 2083CO -0.11 0.87 -0.26 -1.49 -1.16 0.00 0.00 179.01 176.86 2fap h TRP 2084N 1.02 0.47 -0.68 4.33 4.06 -0.65 0.08 115.95 124.58 2fap h TRP 2084Ca 0.24 -0.10 -0.02 0.00 2.06 0.00 0.00 58.89 61.07 2fap h TRP 2084Cb 0.20 -0.12 -0.03 0.00 -1.00 0.00 0.00 29.16 28.22 2fap h TRP 2084CO 0.02 0.65 0.34 0.00 -3.56 0.00 0.00 178.44 175.89 2fap h ARG 2086N 0.95 0.95 -0.47 0.00 2.43 -0.32 -2.22 114.38 115.69 2fap h ARG 2086Ca 0.24 -0.16 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 2fap h ARG 2086Cb 0.09 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 2fap h ARG 2086CO -0.03 0.78 0.07 0.87 -1.51 0.00 0.00 179.97 180.15 2fap h LYS 2087N 0.90 0.78 -0.67 0.20 1.57 -0.92 -2.59 116.57 115.83 2fap h LYS 2087Ca 0.22 -0.21 0.13 0.00 -1.87 0.00 0.00 60.65 58.91 2fap h LYS 2087Cb 0.17 -0.09 -0.09 0.00 0.08 0.00 0.00 32.23 32.30 2fap h LYS 2087CO -0.02 0.79 0.20 -0.92 -0.57 0.00 0.00 179.45 178.93 2fap h TYR 2088N 0.64 0.33 -0.99 -1.35 3.20 -1.12 -0.73 116.97 116.95 2fap h TYR 2088Ca 0.14 0.04 0.17 0.00 3.14 0.00 0.00 58.73 62.21 2fap h TYR 2088Cb 0.40 -0.04 -0.09 0.00 1.54 0.00 0.00 36.73 38.53 2fap h TYR 2088CO 0.03 0.01 0.62 0.52 -1.64 0.00 0.00 178.16 177.69 2fap h MET 2089N 0.34 0.78 0.00 1.82 2.86 -1.00 -0.84 114.93 118.89 2fap h MET 2089Ca 0.36 -0.05 -0.26 0.00 -2.06 0.00 0.00 59.70 57.69 2fap h MET 2089Cb 0.54 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.98 2fap h MET 2089CO -0.41 0.52 -1.47 1.57 1.06 0.00 0.00 176.91 178.19 2fap h LYS 2090N 0.81 0.01 0.04 1.72 5.09 -1.21 -3.41 116.57 119.62 2fap h LYS 2090Ca 0.54 -0.01 -0.35 0.00 0.09 0.00 0.00 60.65 60.91 2fap h LYS 2090Cb 0.78 0.00 -0.05 0.00 0.10 0.00 0.00 32.23 33.07 2fap h LYS 2090CO -0.32 0.68 -2.12 -1.13 -2.09 0.00 0.00 179.45 174.48 2fap n SER 2091N -3.16 1.39 0.00 7.07 3.41 -0.37 -4.96 113.62 117.00 2fap n SER 2091Ca -0.11 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 2fap n SER 2091Cb 1.01 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.75 2fap n SER 2091CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2fap n GLY 2092N 1.91 1.20 3.56 5.00 0.00 -0.35 -4.97 105.19 111.53 2fap n GLY 2092Ca -0.32 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 2fap n GLY 2092CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2fap s ASN 2093N -3.11 6.02 0.58 1.61 3.04 -1.26 -4.86 114.94 116.96 2fap s ASN 2093Ca 0.00 -0.01 0.30 0.00 0.04 0.00 0.00 52.86 53.18 2fap s ASN 2093Cb 0.00 -2.55 1.42 0.00 -1.54 0.00 0.00 41.25 38.58 2fap s ASN 2093CO 0.00 -1.86 1.82 1.62 -3.04 0.00 0.00 177.10 175.64 2fap h VAL 2094N 6.31 0.34 -0.40 -5.21 3.04 -1.93 0.15 116.25 118.56 2fap h VAL 2094Ca -0.27 0.00 0.03 0.00 -1.01 0.00 0.00 66.70 65.45 2fap h VAL 2094Cb 1.08 0.52 -0.02 0.00 -2.01 0.00 0.00 31.29 30.86 2fap h VAL 2094CO 1.23 0.00 0.27 0.50 -1.01 0.00 0.00 177.57 178.55 2fap h LYS 2095N 0.00 0.40 -0.03 4.17 1.63 -2.00 -1.94 116.57 118.79 2fap h LYS 2095Ca 0.30 -0.02 -0.13 0.00 -0.85 0.00 0.00 60.65 59.94 2fap h LYS 2095Cb 1.54 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 33.06 2fap h LYS 2095CO -0.00 0.26 -0.59 -0.44 -3.45 0.00 0.00 179.45 175.23 2fap h ASP 2096N 0.41 0.12 -0.15 4.20 3.32 -1.01 -2.48 116.42 120.82 2fap h ASP 2096Ca 0.16 -0.07 -0.19 0.00 0.02 0.00 0.00 57.03 56.95 2fap h ASP 2096Cb 0.15 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2fap h ASP 2096CO -0.04 0.68 -0.62 0.25 -1.72 0.00 0.00 179.24 177.79 2fap h LEU 2097N 0.08 0.87 -1.00 1.55 5.85 -1.45 -2.56 115.31 118.65 2fap h LEU 2097Ca -0.01 -0.50 -0.04 0.00 0.84 0.00 0.00 57.88 58.17 2fap h LEU 2097Cb 1.06 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 2fap h LEU 2097CO 0.08 1.28 0.21 0.71 -0.34 0.00 0.00 178.44 180.38 2fap h THR 2098N 0.57 1.23 -0.38 1.05 1.35 -1.38 -1.18 112.91 114.16 2fap h THR 2098Ca -0.01 -0.77 -0.04 0.00 -0.55 0.00 0.00 66.41 65.04 2fap h THR 2098Cb 1.22 0.53 -0.02 0.00 -1.73 0.00 0.00 68.15 68.15 2fap h THR 2098CO 0.13 0.30 0.06 -0.61 -0.25 0.00 0.00 175.52 175.15 2fap h GLN 2099N 0.91 0.57 -0.53 4.72 -0.00 -1.38 -0.08 115.11 119.32 2fap h GLN 2099Ca 0.21 -0.11 -0.05 0.00 -0.00 0.00 0.00 58.65 58.71 2fap h GLN 2099Cb 0.24 -0.09 -0.02 0.00 0.00 0.00 0.00 27.48 27.60 2fap h GLN 2099CO -0.01 0.55 0.15 0.00 0.00 0.00 0.00 178.83 179.52 2fap h ALA 2100N 1.52 0.69 0.00 3.38 0.00 -0.93 -3.18 119.26 120.74 2fap h ALA 2100Ca 0.12 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2fap h ALA 2100Cb 0.27 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2fap h ALA 2100CO 0.00 0.36 -0.22 -1.49 0.00 0.00 0.00 179.25 177.90 2fap h TRP 2101N 0.73 0.00 -0.84 0.00 4.06 -0.60 -1.25 115.95 118.04 2fap h TRP 2101Ca 0.17 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.11 2fap h TRP 2101Cb 0.30 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.42 2fap h TRP 2101CO 0.02 0.22 0.50 0.22 -3.56 0.00 0.00 178.44 175.84 2fap h ASP 2102N 0.00 1.03 0.22 -3.49 3.58 -1.02 0.06 116.42 116.78 2fap h ASP 2102Ca -0.00 -0.08 -0.24 0.00 0.42 0.00 0.00 57.03 57.13 2fap h ASP 2102Cb 0.92 -0.26 0.01 0.00 1.72 0.00 0.00 39.33 41.72 2fap h ASP 2102CO 0.03 0.80 -0.98 -0.07 -2.88 0.00 0.00 179.24 176.14 2fap h LEU 2103N 1.16 0.67 -0.35 2.28 3.38 -1.38 -2.32 115.31 118.77 2fap h LEU 2103Ca 0.30 -0.54 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 2fap h LEU 2103Cb -0.02 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2fap h LEU 2103CO -0.05 1.34 0.09 1.88 0.09 0.00 0.00 178.44 181.79 2fap h TYR 2104N 0.29 0.57 -0.65 1.13 0.05 -1.19 -2.06 116.97 115.11 2fap h TYR 2104Ca -0.10 -0.06 0.03 0.00 0.05 0.00 0.00 58.73 58.65 2fap h TYR 2104Cb 1.62 -0.16 -0.04 0.00 1.01 0.00 0.00 36.73 39.16 2fap h TYR 2104CO 0.08 0.57 0.40 -0.92 -1.05 0.00 0.00 178.16 177.24 2fap h TYR 2105N 0.41 0.75 0.16 4.88 3.20 -1.01 -1.17 116.97 124.18 2fap h TYR 2105Ca 0.11 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.01 2fap h TYR 2105Cb 0.28 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 2fap h TYR 2105CO 0.01 0.42 -0.20 1.25 -1.64 0.00 0.00 178.16 178.00 2fap h HIS 2106N 0.78 -0.53 -0.68 -3.82 2.76 -1.18 -1.48 115.15 111.00 2fap h HIS 2106Ca 0.27 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.39 2fap h HIS 2106Cb 0.04 0.21 -0.03 0.00 1.55 0.00 0.00 27.41 29.18 2fap h HIS 2106CO -0.05 -0.30 0.20 -0.39 -1.30 0.00 0.00 177.93 176.09 2fap h VAL 2107N -0.41 1.25 -0.10 5.26 -1.51 -1.29 -3.00 116.25 116.45 2fap h VAL 2107Ca 0.01 -0.88 0.03 0.00 -1.23 0.00 0.00 66.70 64.63 2fap h VAL 2107Cb 0.40 0.51 -0.03 0.00 -2.13 0.00 0.00 31.29 30.05 2fap h VAL 2107CO -0.08 0.34 -0.05 0.15 -1.23 0.00 0.00 177.57 176.70 2fap h PHE 2108N 1.01 -0.12 0.00 5.19 3.57 -0.88 -0.87 116.94 124.84 2fap h PHE 2108Ca 0.22 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.73 2fap h PHE 2108Cb 0.30 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.11 2fap h PHE 2108CO 0.02 -0.09 0.00 2.89 -2.23 0.00 0.00 178.31 178.91 2fap n ARG 2109N -5.18 0.10 0.00 1.11 1.85 -0.59 -1.60 116.66 112.36 2fap n ARG 2109Ca -0.04 0.27 -0.07 0.00 -1.00 0.00 0.00 57.85 57.00 2fap n ARG 2109Cb 0.11 -1.67 -0.13 0.00 -1.05 0.00 0.00 32.46 29.73 2fap n ARG 2109CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2fap h ARG 2110N 0.00 0.00 0.00 2.89 3.08 -1.30 -3.30 114.38 115.75 2fap h ARG 2110Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2fap h ARG 2110Cb 0.39 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 2fap h ARG 2110CO 0.00 0.58 -0.11 0.82 -1.07 0.00 0.00 179.97 180.20 2fap h ILE 2111N 0.00 0.28 -0.03 2.04 2.04 -0.17 -3.52 117.51 118.16 2fap h ILE 2111Ca -0.21 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 64.85 2fap h ILE 2111Cb 1.92 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 39.62 2fap h ILE 2111CO 0.09 0.10 0.00 -1.20 0.00 0.00 0.00 178.15 177.14