#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1orj h LEU 2019N 0.00 0.93 -0.30 1.53 7.12 -2.00 -0.82 115.31 121.77 1orj h LEU 2019Ca 0.00 -0.21 0.03 0.00 0.13 0.00 0.00 57.88 57.83 1orj h LEU 2019Cb 0.00 -0.24 -0.03 0.00 -0.53 0.00 0.00 40.66 39.85 1orj h LEU 2019CO 0.00 0.90 0.10 -0.33 -0.13 0.00 0.00 178.44 178.98 1orj h GLU 2020N 0.92 0.23 -0.64 1.25 3.07 -1.99 -0.35 114.58 117.06 1orj h GLU 2020Ca 0.20 -0.01 -0.09 0.00 -0.50 0.00 0.00 59.36 58.96 1orj h GLU 2020Cb 0.31 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.14 1orj h GLU 2020CO -0.00 0.15 0.04 0.37 -1.40 0.00 0.00 179.01 178.17 1orj h GLN 2021N 0.24 1.10 -0.56 2.33 4.15 -1.97 -2.08 115.11 118.32 1orj h GLN 2021Ca 0.14 -0.33 -0.05 0.00 0.77 0.00 0.00 58.65 59.17 1orj h GLN 2021Cb 0.11 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 1orj h GLN 2021CO -0.14 1.04 0.14 0.82 -1.93 0.00 0.00 178.83 178.76 1orj h ILE 2022N 1.01 1.25 0.03 2.39 2.04 -0.44 -2.68 117.51 121.11 1orj h ILE 2022Ca 0.19 -0.88 -0.23 0.00 1.00 0.00 0.00 64.86 64.94 1orj h ILE 2022Cb 0.52 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1orj h ILE 2022CO 0.02 0.32 -1.00 0.40 0.00 0.00 0.00 178.15 177.90 1orj h ILE 2023N 0.80 1.48 -0.75 -0.67 2.04 -0.97 -2.42 117.51 117.01 1orj h ILE 2023Ca 0.18 -2.72 0.10 0.00 1.00 0.00 0.00 64.86 63.41 1orj h ILE 2023Cb 0.34 2.60 -0.08 0.00 -0.74 0.00 0.00 36.82 38.94 1orj h ILE 2023CO 0.00 0.80 0.38 0.25 0.00 0.00 0.00 178.15 179.58 1orj h LEU 2024N 0.13 0.49 -0.58 1.44 5.85 -1.41 0.12 115.31 121.36 1orj h LEU 2024Ca -0.08 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1orj h LEU 2024Cb 1.66 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.65 1orj h LEU 2024CO 0.16 0.27 0.20 -0.07 -0.34 0.00 0.00 178.44 178.66 1orj h LEU 2025N 0.63 0.83 -0.56 2.25 3.38 -1.24 0.69 115.31 121.28 1orj h LEU 2025Ca 0.37 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1orj h LEU 2025Cb 0.41 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1orj h LEU 2025CO -0.28 0.80 0.31 1.88 0.09 0.00 0.00 178.44 181.24 1orj h TYR 2026N 0.81 0.76 -0.16 1.13 0.05 -1.07 0.30 116.97 118.78 1orj h TYR 2026Ca 0.19 -0.01 0.05 0.00 0.05 0.00 0.00 58.73 59.01 1orj h TYR 2026Cb 0.25 -0.24 -0.06 0.00 1.01 0.00 0.00 36.73 37.68 1orj h TYR 2026CO 0.01 0.54 -0.30 -0.44 -1.05 0.00 0.00 178.16 176.93 1orj h ASP 2027N 0.75 -0.93 -0.51 3.88 3.32 -0.10 -0.95 116.42 121.87 1orj h ASP 2027Ca 0.20 0.14 -0.08 0.00 0.02 0.00 0.00 57.03 57.31 1orj h ASP 2027Cb 0.03 0.41 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1orj h ASP 2027CO -0.03 -0.34 0.03 0.11 -1.72 0.00 0.00 179.24 177.29 1orj h LYS 2028N -0.35 0.93 -0.38 3.56 1.79 -0.58 -2.10 116.57 119.43 1orj h LYS 2028Ca 0.11 -0.26 -0.07 0.00 -2.18 0.00 0.00 60.65 58.25 1orj h LYS 2028Cb 0.52 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.05 1orj h LYS 2028CO -0.36 0.90 -0.06 0.00 -1.08 0.00 0.00 179.45 178.85 1orj h ALA 2029N 1.16 1.19 -0.18 3.86 0.00 -0.48 -1.79 119.26 123.01 1orj h ALA 2029Ca 0.17 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1orj h ALA 2029Cb 0.47 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1orj h ALA 2029CO 0.02 0.52 -0.12 0.82 0.00 0.00 0.00 179.25 180.49 1orj h ILE 2030N 0.59 1.32 -0.34 0.00 2.04 -0.81 -0.61 117.51 119.70 1orj h ILE 2030Ca 0.11 -1.22 0.06 0.00 1.00 0.00 0.00 64.86 64.82 1orj h ILE 2030Cb 0.46 1.73 -0.06 0.00 -0.74 0.00 0.00 36.82 38.22 1orj h ILE 2030CO 0.02 0.36 -0.02 -0.33 0.00 0.00 0.00 178.15 178.19 1orj h GLU 2031N 0.07 0.07 -0.14 2.37 5.08 -1.28 0.29 114.58 121.05 1orj h GLU 2031Ca 0.04 -0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.24 1orj h GLU 2031Cb 0.62 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1orj h GLU 2031CO 0.03 0.05 -0.55 0.00 -1.00 0.00 0.00 179.01 177.54 1orj h LEU 2033N 0.33 0.74 -0.22 0.00 5.85 -0.70 -0.10 115.31 121.22 1orj h LEU 2033Ca 0.00 -0.40 0.05 0.00 0.84 0.00 0.00 57.88 58.38 1orj h LEU 2033Cb 1.07 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.85 1orj h LEU 2033CO 0.10 0.97 -0.13 -0.33 -0.34 0.00 0.00 178.44 178.71 1orj h GLU 2034N 0.50 -0.12 -0.55 1.25 5.08 -0.31 0.70 114.58 121.14 1orj h GLU 2034Ca 0.08 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.51 1orj h GLU 2034Cb 0.68 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.91 1orj h GLU 2034CO 0.05 -0.08 0.25 -0.09 -1.00 0.00 0.00 179.01 178.14 1orj h ARG 2035N -0.12 0.47 -0.88 2.33 9.65 -1.15 0.16 114.38 124.85 1orj h ARG 2035Ca 0.12 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.95 1orj h ARG 2035Cb 0.30 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 28.74 1orj h ARG 2035CO -0.29 0.31 0.46 0.00 2.80 0.00 0.00 179.97 183.24 1orj h ALA 2036N 1.32 1.15 -0.46 2.80 0.00 0.45 -1.72 119.26 122.81 1orj h ALA 2036Ca 0.25 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1orj h ALA 2036Cb 0.21 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1orj h ALA 2036CO -0.20 0.66 -0.11 0.82 0.00 0.00 0.00 179.25 180.42 1orj h ILE 2037N 1.24 1.26 -0.44 0.00 2.04 0.14 -1.29 117.51 120.46 1orj h ILE 2037Ca 0.31 -1.20 0.05 0.00 1.00 0.00 0.00 64.86 65.01 1orj h ILE 2037Cb 0.06 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1orj h ILE 2037CO -0.04 0.41 0.29 -0.08 0.00 0.00 0.00 178.15 178.73 1orj h GLU 2038N 0.76 0.39 -0.27 2.37 4.81 0.12 -2.81 114.58 119.95 1orj h GLU 2038Ca 0.12 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1orj h GLU 2038Cb 0.62 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1orj h GLU 2038CO 0.04 0.26 0.00 0.44 -0.73 0.00 0.00 179.01 179.02 1orj n ILE 2039N -4.48 0.76 -0.33 2.32 -5.35 -0.76 -4.55 119.36 106.98 1orj n ILE 2039Ca 0.05 -0.88 0.14 0.00 -0.27 0.00 0.00 62.75 61.79 1orj n ILE 2039Cb 0.21 0.67 0.33 0.00 -1.74 0.00 0.00 39.64 39.11 1orj n ILE 2039CO 0.00 0.00 0.00 0.22 -1.76 0.00 0.00 176.55 175.01 1orj h TYR 2040N 2.09 0.88 0.00 4.28 5.03 -0.97 0.32 116.97 128.60 1orj h TYR 2040Ca 0.00 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.35 1orj h TYR 2040Cb 0.67 -0.24 0.00 0.00 1.55 0.00 0.00 36.73 38.71 1orj h TYR 2040CO 0.18 0.09 0.00 -0.25 -1.32 0.00 0.00 178.16 176.85 1orj n ASP 2041N -4.90 0.00 -0.72 -2.11 8.00 -1.26 -3.25 116.55 112.31 1orj n ASP 2041Ca 0.23 0.33 0.07 0.00 0.71 0.00 0.00 54.79 56.13 1orj n ASP 2041Cb 0.64 -0.43 0.22 0.00 -0.02 0.00 0.00 41.12 41.52 1orj n ASP 2041CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1orj n GLN 2042N -1.43 2.27 0.00 -1.24 6.02 0.10 -4.66 117.38 118.43 1orj n GLN 2042Ca 0.07 -2.85 0.11 0.00 -0.01 0.00 0.00 57.00 54.32 1orj n GLN 2042Cb 0.24 -1.75 0.65 0.00 1.02 0.00 0.00 30.24 30.41 1orj n GLN 2042CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1orj n VAL 2043N -0.88 0.00 0.29 5.09 0.24 -1.20 -1.03 118.33 120.84 1orj n VAL 2043Ca 0.22 0.00 0.17 0.00 -2.04 0.00 0.00 64.34 62.69 1orj n VAL 2043Cb 0.85 -0.62 0.86 0.00 -1.47 0.00 0.00 33.84 33.46 1orj n VAL 2043CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1orj h ASN 2044N 0.00 0.00 -3.61 -1.34 -1.07 -1.88 -3.37 115.58 104.31 1orj h ASN 2044Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 56.30 55.76 1orj h ASN 2044Cb 0.00 0.00 -0.11 0.00 -2.07 0.00 0.00 38.32 36.14 1orj h ASN 2044CO 0.00 0.05 0.47 -1.61 0.07 0.00 0.00 177.43 176.42 1orj s GLU 2045N -4.03 3.57 0.20 4.14 2.02 -0.19 -4.99 118.70 119.42 1orj s GLU 2045Ca -0.02 0.16 -0.24 0.00 0.02 0.00 0.00 54.97 54.88 1orj s GLU 2045Cb 0.12 -3.89 0.09 0.00 0.10 0.00 0.00 34.13 30.55 1orj s GLU 2045CO 0.52 -1.09 1.55 -0.07 0.02 0.00 0.00 175.26 176.19 1orj h LEU 2046N 10.22 -1.77 -1.65 1.80 3.38 -1.85 0.55 115.31 125.99 1orj h LEU 2046Ca -0.24 0.32 0.17 0.00 0.09 0.00 0.00 57.88 58.21 1orj h LEU 2046Cb 1.08 0.85 -0.05 0.00 0.09 0.00 0.00 40.66 42.63 1orj h LEU 2046CO 0.98 -0.26 0.52 -0.08 0.09 0.00 0.00 178.44 179.68 1orj h GLU 2047N -0.01 0.32 0.18 1.13 4.81 -1.93 0.12 114.58 119.19 1orj h GLU 2047Ca 0.26 -0.02 -0.26 0.00 -0.13 0.00 0.00 59.36 59.20 1orj h GLU 2047Cb 0.51 -0.07 0.02 0.00 0.63 0.00 0.00 28.75 29.84 1orj h GLU 2047CO -0.95 0.21 -1.19 0.87 -0.73 0.00 0.00 179.01 177.22 1orj h LYS 2048N 0.33 0.38 -0.58 1.92 1.79 -0.36 -2.53 116.57 117.52 1orj h LYS 2048Ca 0.38 -0.64 0.11 0.00 -2.18 0.00 0.00 60.65 58.32 1orj h LYS 2048Cb 0.99 0.24 -0.09 0.00 -1.58 0.00 0.00 32.23 31.79 1orj h LYS 2048CO -0.11 1.31 0.09 -0.09 -1.08 0.00 0.00 179.45 179.57 1orj h ARG 2049N -0.16 0.20 -0.37 3.15 2.43 0.59 0.28 114.38 120.50 1orj h ARG 2049Ca -0.22 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 58.92 1orj h ARG 2049Cb 1.87 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 31.35 1orj h ARG 2049CO 0.18 0.14 0.16 -0.22 -1.51 0.00 0.00 179.97 178.71 1orj h LYS 2050N 0.21 0.54 -0.06 0.20 3.64 -0.85 -1.09 116.57 119.16 1orj h LYS 2050Ca 0.30 -0.09 -0.07 0.00 -1.27 0.00 0.00 60.65 59.52 1orj h LYS 2050Cb 0.46 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1orj h LYS 2050CO -0.42 0.51 -0.27 1.49 -2.27 0.00 0.00 179.45 178.49 1orj h GLU 2051N 0.45 0.11 0.14 1.90 4.81 -0.98 -2.22 114.58 118.78 1orj h GLU 2051Ca 0.12 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1orj h GLU 2051Cb 0.17 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1orj h GLU 2051CO -0.01 0.38 -0.07 0.35 -0.73 0.00 0.00 179.01 178.93 1orj h PHE 2052N 0.10 -0.17 -0.48 0.92 3.57 0.35 -2.32 116.94 118.91 1orj h PHE 2052Ca 0.01 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.54 1orj h PHE 2052Cb 0.54 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.31 1orj h PHE 2052CO 0.00 0.14 0.32 0.28 -2.23 0.00 0.00 178.31 176.82 1orj h VAL 2053N -0.49 1.06 -0.03 1.41 2.07 -1.15 -0.89 116.25 118.22 1orj h VAL 2053Ca -0.02 -0.19 -0.08 0.00 0.82 0.00 0.00 66.70 67.23 1orj h VAL 2053Cb 0.39 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1orj h VAL 2053CO 0.03 0.10 -0.36 -0.33 0.02 0.00 0.00 177.57 177.03 1orj h GLU 2054N 0.55 0.07 0.15 1.57 5.08 -1.21 -2.06 114.58 118.73 1orj h GLU 2054Ca 0.19 -0.03 -0.29 0.00 -1.00 0.00 0.00 59.36 58.24 1orj h GLU 2054Cb 0.08 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.34 1orj h GLU 2054CO -0.05 0.42 -1.28 -0.91 -1.00 0.00 0.00 179.01 176.19 1orj h ASN 2055N 0.06 0.53 -0.20 1.42 2.35 -0.62 -2.75 115.58 116.36 1orj h ASN 2055Ca 0.01 -0.56 -0.01 0.00 -0.55 0.00 0.00 56.30 55.19 1orj h ASN 2055Cb 0.66 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 1orj h ASN 2055CO 0.05 1.43 0.09 0.40 -1.65 0.00 0.00 177.43 177.75 1orj h ILE 2056N 0.10 1.14 -0.89 2.81 1.08 -1.28 -0.93 117.51 119.54 1orj h ILE 2056Ca -0.16 -0.40 0.08 0.00 -0.39 0.00 0.00 64.86 63.99 1orj h ILE 2056Cb 2.00 1.04 -0.07 0.00 -3.07 0.00 0.00 36.82 36.72 1orj h ILE 2056CO 0.22 0.13 0.55 0.44 -0.69 0.00 0.00 178.15 178.80 1orj h ASP 2057N 0.19 0.85 -0.46 1.72 3.32 -1.44 0.25 116.42 120.85 1orj h ASP 2057Ca 0.07 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 1orj h ASP 2057Cb 0.13 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1orj h ASP 2057CO -0.01 0.52 0.04 0.03 -1.72 0.00 0.00 179.24 178.10 1orj h ARG 2058N 0.97 0.86 -0.28 3.56 3.08 -1.17 0.14 114.38 121.53 1orj h ARG 2058Ca 0.40 -0.22 -0.06 0.00 0.07 0.00 0.00 59.98 60.17 1orj h ARG 2058Cb 0.24 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1orj h ARG 2058CO -0.20 0.83 -0.08 0.28 -1.07 0.00 0.00 179.97 179.74 1orj h VAL 2059N 0.80 1.28 -0.42 2.04 2.07 0.28 -0.05 116.25 122.26 1orj h VAL 2059Ca 0.16 -1.11 0.08 0.00 0.82 0.00 0.00 66.70 66.66 1orj h VAL 2059Cb 0.43 1.43 -0.09 0.00 -1.52 0.00 0.00 31.29 31.53 1orj h VAL 2059CO 0.02 0.35 -0.29 0.22 0.02 0.00 0.00 177.57 177.89 1orj h TYR 2060N 0.30 -0.78 -0.25 1.57 5.03 -0.26 -0.30 116.97 122.28 1orj h TYR 2060Ca 0.07 0.06 -0.05 0.00 2.58 0.00 0.00 58.73 61.39 1orj h TYR 2060Cb 0.56 0.41 -0.01 0.00 1.55 0.00 0.00 36.73 39.23 1orj h TYR 2060CO 0.05 -0.36 -0.05 -0.44 -1.32 0.00 0.00 178.16 176.05 1orj h ASP 2061N -0.21 0.36 -0.06 -2.11 5.19 -0.39 -0.43 116.42 118.76 1orj h ASP 2061Ca 0.19 -0.06 -0.22 0.00 -0.62 0.00 0.00 57.03 56.31 1orj h ASP 2061Cb 0.51 -0.09 0.01 0.00 0.18 0.00 0.00 39.33 39.94 1orj h ASP 2061CO -0.54 0.46 -0.81 0.40 -3.12 0.00 0.00 179.24 175.63 1orj h ILE 2062N 0.37 1.29 -0.47 0.35 2.04 0.19 -1.68 117.51 119.60 1orj h ILE 2062Ca 0.08 -2.04 -0.07 0.00 1.00 0.00 0.00 64.86 63.83 1orj h ILE 2062Cb 0.32 2.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.43 1orj h ILE 2062CO 0.01 0.64 0.02 0.40 0.00 0.00 0.00 178.15 179.23 1orj h ILE 2063N 0.48 1.26 -0.52 -0.67 1.08 -0.83 -1.37 117.51 116.94 1orj h ILE 2063Ca -0.06 -1.02 0.08 0.00 -0.39 0.00 0.00 64.86 63.47 1orj h ILE 2063Cb 1.43 0.98 -0.06 0.00 -3.07 0.00 0.00 36.82 36.10 1orj h ILE 2063CO 0.16 0.36 0.16 0.28 -0.69 0.00 0.00 178.15 178.42 1orj h SER 2064N 0.68 0.13 0.34 1.72 0.02 -1.05 -0.35 113.55 115.04 1orj h SER 2064Ca 0.14 0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 61.10 1orj h SER 2064Cb 0.47 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 1orj h SER 2064CO 0.02 0.09 -0.29 0.00 -1.14 0.00 0.00 176.83 175.51 1orj h ALA 2065N 1.37 1.44 -0.33 3.77 0.00 -0.94 -2.92 119.26 121.65 1orj h ALA 2065Ca 0.26 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1orj h ALA 2065Cb 0.31 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1orj h ALA 2065CO -0.29 0.37 -0.19 -0.07 0.00 0.00 0.00 179.25 179.06 1orj h LEU 2066N 0.00 0.74 -0.96 0.00 3.38 0.01 -2.80 115.31 115.68 1orj h LEU 2066Ca -0.00 -0.42 0.27 0.00 0.09 0.00 0.00 57.88 57.82 1orj h LEU 2066Cb 0.54 -0.21 -0.14 0.00 0.09 0.00 0.00 40.66 40.95 1orj h LEU 2066CO 0.04 1.00 0.48 0.11 0.09 0.00 0.00 178.44 180.16 1orj h LYS 2067N 0.49 0.35 0.00 1.13 1.57 -0.98 -0.82 116.57 118.32 1orj h LYS 2067Ca 0.07 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1orj h LYS 2067Cb 0.74 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1orj h LYS 2067CO 0.06 0.23 0.00 0.77 -0.57 0.00 0.00 179.45 179.94 1orj h SER 2068N 0.36 0.00 0.74 0.86 0.02 -1.43 0.15 113.55 114.25 1orj h SER 2068Ca 0.66 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.61 1orj h SER 2068Cb 1.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.93 1orj h SER 2068CO -0.58 0.00 0.00 -0.26 -1.14 0.00 0.00 176.83 174.85 1orj h PHE 2069N 0.00 0.00 -0.02 3.45 0.04 -1.23 -2.81 116.94 116.37 1orj h PHE 2069Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1orj h PHE 2069Cb 0.29 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.44 1orj h PHE 2069CO 0.00 0.00 -0.17 1.28 -0.60 0.00 0.00 178.31 178.82 1orj n LEU 2070N -2.35 1.98 -0.33 1.54 4.77 0.52 -4.63 117.00 118.50 1orj n LEU 2070Ca 0.02 -0.66 0.16 0.00 -0.03 0.00 0.00 56.01 55.50 1orj n LEU 2070Cb 0.23 -0.02 0.36 0.00 -2.33 0.00 0.00 43.42 41.66 1orj n LEU 2070CO 0.20 0.34 1.12 0.44 -1.33 0.00 0.00 177.39 178.16 1orj h ASP 2071N 2.84 0.54 -0.45 -1.43 3.32 -1.60 -0.55 116.42 119.09 1orj h ASP 2071Ca 0.00 0.15 -0.12 0.00 0.02 0.00 0.00 57.03 57.07 1orj h ASP 2071Cb 0.71 0.08 -0.07 0.00 0.22 0.00 0.00 39.33 40.26 1orj h ASP 2071CO 0.00 0.05 0.08 1.41 -1.72 0.00 0.00 179.24 179.06 1orj n HIS 2072N -4.96 1.51 0.00 4.55 8.25 -1.26 -4.55 115.22 118.77 1orj n HIS 2072Ca 0.25 -1.18 0.00 0.00 -0.26 0.00 0.00 57.72 56.54 1orj n HIS 2072Cb 0.73 -0.49 0.00 0.00 1.12 0.00 0.00 29.99 31.35 1orj n HIS 2072CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1orj n GLU 2073N -0.55 4.69 -1.36 -0.41 -0.58 -0.23 -5.03 120.64 117.17 1orj n GLU 2073Ca 0.31 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.72 1orj n GLU 2073Cb 1.11 -0.38 0.10 0.00 -0.57 0.00 0.00 31.44 31.69 1orj n GLU 2073CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1orj s LYS 2074N -0.74 2.06 0.00 3.49 1.02 -1.14 -1.54 119.74 122.89 1orj s LYS 2074Ca 0.00 1.68 0.00 0.00 0.02 0.00 0.00 55.97 57.67 1orj s LYS 2074Cb 0.00 -1.83 0.00 0.00 -0.52 0.00 0.00 37.83 35.48 1orj s LYS 2074CO 0.00 -1.88 0.00 0.41 -0.92 0.00 0.00 175.35 172.96 1orj n GLY 2075N 0.22 2.86 3.68 -3.33 0.00 -1.26 -4.99 105.19 102.36 1orj n GLY 2075Ca 0.13 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1orj n GLY 2075CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1orj s LYS 2076N 0.00 4.24 0.42 1.61 1.02 -0.59 -4.98 119.74 121.45 1orj s LYS 2076Ca 0.00 0.44 0.15 0.00 0.02 0.00 0.00 55.97 56.58 1orj s LYS 2076Cb 0.00 -3.53 0.91 0.00 -0.52 0.00 0.00 37.83 34.70 1orj s LYS 2076CO 0.00 -0.06 1.92 0.93 -0.92 0.00 0.00 175.35 177.22 1orj h GLU 2077N 7.24 0.00 -0.22 1.68 4.39 -1.94 -2.37 114.58 123.36 1orj h GLU 2077Ca -0.36 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.34 1orj h GLU 2077Cb 1.16 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.80 1orj h GLU 2077CO 0.75 0.26 0.13 0.97 -1.16 0.00 0.00 179.01 179.96 1orj h ILE 2078N 0.00 1.10 -0.62 3.13 6.09 -1.94 0.24 117.51 125.52 1orj h ILE 2078Ca -0.00 -0.25 0.06 0.00 -1.37 0.00 0.00 64.86 63.30 1orj h ILE 2078Cb 0.48 0.86 -0.05 0.00 0.47 0.00 0.00 36.82 38.58 1orj h ILE 2078CO 0.03 0.10 0.32 0.00 -3.07 0.00 0.00 178.15 175.53 1orj h ALA 2079N 1.02 0.82 0.00 0.18 0.00 -1.73 0.37 119.26 119.92 1orj h ALA 2079Ca 0.08 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1orj h ALA 2079Cb 0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1orj h ALA 2079CO -0.01 -0.02 -0.12 0.87 0.00 0.00 0.00 179.25 179.97 1orj h LYS 2080N 0.60 0.00 0.10 0.00 1.57 -0.85 -0.30 116.57 117.69 1orj h LYS 2080Ca 0.28 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.06 1orj h LYS 2080Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1orj h LYS 2080CO -0.19 0.12 -0.05 -0.91 -0.57 0.00 0.00 179.45 177.84 1orj h ASN 2081N 0.00 -0.12 -0.29 0.86 2.35 0.10 -2.55 115.58 115.93 1orj h ASN 2081Ca -0.00 -0.43 0.06 0.00 -0.55 0.00 0.00 56.30 55.37 1orj h ASN 2081Cb 0.29 0.03 -0.08 0.00 0.05 0.00 0.00 38.32 38.61 1orj h ASN 2081CO 0.02 0.42 -0.44 0.25 -1.65 0.00 0.00 177.43 176.03 1orj h LEU 2082N -0.72 -1.44 -1.21 1.61 5.85 -0.86 -1.04 115.31 117.50 1orj h LEU 2082Ca -0.01 0.20 0.17 0.00 0.84 0.00 0.00 57.88 59.08 1orj h LEU 2082Cb 0.55 0.61 -0.08 0.00 0.37 0.00 0.00 40.66 42.10 1orj h LEU 2082CO 0.02 -0.40 0.60 -0.78 -0.34 0.00 0.00 178.44 177.55 1orj h ASP 2083N -0.41 0.68 0.66 1.25 3.58 -1.10 1.03 116.42 122.10 1orj h ASP 2083Ca 0.10 0.06 -0.10 0.00 0.42 0.00 0.00 57.03 57.52 1orj h ASP 2083Cb 0.61 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 1orj h ASP 2083CO -0.51 0.29 -0.46 0.74 -2.88 0.00 0.00 179.24 176.43 1orj h THR 2084N 0.69 1.15 -0.03 2.25 2.02 -0.91 -0.32 112.91 117.76 1orj h THR 2084Ca 0.51 -1.67 -0.03 0.00 0.77 0.00 0.00 66.41 65.98 1orj h THR 2084Cb 0.86 1.95 0.00 0.00 -1.74 0.00 0.00 68.15 69.22 1orj h THR 2084CO -0.27 0.45 -0.10 0.40 0.37 0.00 0.00 175.52 176.38 1orj h ILE 2085N 0.00 1.47 -0.68 3.11 2.04 0.21 -1.92 117.51 121.74 1orj h ILE 2085Ca -0.00 -1.53 0.11 0.00 1.00 0.00 0.00 64.86 64.44 1orj h ILE 2085Cb 0.91 2.40 -0.08 0.00 -0.74 0.00 0.00 36.82 39.32 1orj h ILE 2085CO 0.06 0.41 0.29 1.88 0.00 0.00 0.00 178.15 180.80 1orj h TYR 2086N -0.45 0.51 -0.16 1.37 0.05 -0.18 -1.43 116.97 116.68 1orj h TYR 2086Ca -0.00 0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.83 1orj h TYR 2086Cb 0.72 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 38.31 1orj h TYR 2086CO 0.14 0.14 0.03 1.15 -1.05 0.00 0.00 178.16 178.56 1orj h THR 2087N 0.49 0.92 -0.61 -2.88 2.02 -0.97 -0.76 112.91 111.13 1orj h THR 2087Ca 0.35 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.47 1orj h THR 2087Cb 0.44 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 1orj h THR 2087CO -0.32 0.02 0.27 0.40 0.37 0.00 0.00 175.52 176.26 1orj h ILE 2088N 0.09 1.21 0.25 3.11 2.04 -0.92 0.05 117.51 123.34 1orj h ILE 2088Ca 0.07 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 1orj h ILE 2088Cb 0.07 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1orj h ILE 2088CO -0.10 0.25 -0.13 0.40 0.00 0.00 0.00 178.15 178.57 1orj h ILE 2089N 0.86 0.73 -0.83 -0.67 2.04 -0.65 -0.57 117.51 118.43 1orj h ILE 2089Ca 0.21 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.15 1orj h ILE 2089Cb 0.13 0.73 -0.07 0.00 -0.74 0.00 0.00 36.82 36.87 1orj h ILE 2089CO -0.02 0.00 0.49 -0.07 0.00 0.00 0.00 178.15 178.55 1orj h LEU 2090N -0.36 0.74 -1.23 1.44 3.38 -0.73 0.16 115.31 118.71 1orj h LEU 2090Ca -0.03 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1orj h LEU 2090Cb 0.28 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1orj h LEU 2090CO 0.05 0.45 0.21 0.78 0.09 0.00 0.00 178.44 180.02 1orj h ASN 2091N 0.86 0.68 -0.11 -0.43 2.35 -0.78 -2.96 115.58 115.20 1orj h ASN 2091Ca 0.38 -0.08 -0.13 0.00 -0.55 0.00 0.00 56.30 55.92 1orj h ASN 2091Cb 0.26 -0.17 0.01 0.00 0.05 0.00 0.00 38.32 38.47 1orj h ASN 2091CO -0.21 0.61 -0.44 0.74 -1.65 0.00 0.00 177.43 176.48 1orj h THR 2092N 0.75 1.38 -0.98 2.81 2.02 0.77 -3.00 112.91 116.65 1orj h THR 2092Ca 0.18 -1.77 0.18 0.00 0.77 0.00 0.00 66.41 65.77 1orj h THR 2092Cb 0.14 2.19 -0.09 0.00 -1.74 0.00 0.00 68.15 68.64 1orj h THR 2092CO -0.02 0.53 0.61 -0.07 0.37 0.00 0.00 175.52 176.94 1orj h LEU 2093N 0.07 0.71 -1.00 2.58 3.38 -0.65 -3.01 115.31 117.39 1orj h LEU 2093Ca -0.03 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1orj h LEU 2093Cb 1.08 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1orj h LEU 2093CO 0.09 0.28 -0.39 1.33 0.09 0.00 0.00 178.44 179.84 1orj n VAL 2094N -4.68 0.00 -1.76 1.22 0.24 -1.16 -4.99 118.33 107.20 1orj n VAL 2094Ca 0.22 -0.31 -0.32 0.00 -2.04 0.00 0.00 64.34 61.89 1orj n VAL 2094Cb 0.58 1.24 0.04 0.00 -1.47 0.00 0.00 33.84 34.22 1orj n VAL 2094CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1orj s LYS 2095N -2.18 3.06 0.10 7.34 -2.85 -1.13 -4.97 119.74 119.11 1orj s LYS 2095Ca 0.17 1.09 0.03 0.00 -1.00 0.00 0.00 55.97 56.26 1orj s LYS 2095Cb 0.16 -2.00 -0.23 0.00 -2.06 0.00 0.00 37.83 33.69 1orj s LYS 2095CO 0.48 -1.01 1.22 -0.24 0.10 0.00 0.00 175.35 175.90 1orj h VAL 2096N -0.21 1.63 -1.60 1.79 3.04 -1.93 -3.34 116.25 115.64 1orj h VAL 2096Ca -0.45 -3.30 -0.70 0.00 -1.01 0.00 0.00 66.70 61.24 1orj h VAL 2096Cb 1.22 2.87 -0.21 0.00 -2.01 0.00 0.00 31.29 33.16 1orj h VAL 2096CO 0.57 0.94 1.25 0.47 -1.01 0.00 0.00 177.57 179.79 1orj n ASP 2097N -3.40 7.36 -4.95 3.17 9.92 -1.26 -4.95 116.55 122.44 1orj n ASP 2097Ca -0.03 -3.45 -0.25 0.00 -0.53 0.00 0.00 54.79 50.53 1orj n ASP 2097Cb 0.97 -1.22 -0.03 0.00 -0.64 0.00 0.00 41.12 40.21 1orj n ASP 2097CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 1orj s LYS 2098N -2.75 3.45 0.24 -1.24 -2.85 -1.26 -5.11 119.74 110.22 1orj s LYS 2098Ca 0.51 -0.61 0.09 0.00 -1.00 0.00 0.00 55.97 54.96 1orj s LYS 2098Cb 0.29 -2.94 -0.05 0.00 -2.06 0.00 0.00 37.83 33.08 1orj s LYS 2098CO -0.21 0.49 -0.15 0.95 0.10 0.00 0.00 175.35 176.53 1orj s THR 2099N -1.81 2.01 0.38 3.79 -4.23 -1.26 -5.03 115.64 109.49 1orj s THR 2099Ca 0.35 -2.27 0.13 0.00 -1.18 0.00 0.00 61.69 58.71 1orj s THR 2099Cb -0.11 -2.19 0.35 0.00 1.34 0.00 0.00 72.50 71.89 1orj s THR 2099CO 0.29 -0.49 1.85 0.50 -0.54 0.00 0.00 174.62 176.23 1orj h LYS 2100N 2.41 0.55 0.01 3.99 3.64 -1.99 -2.25 116.57 122.93 1orj h LYS 2100Ca -0.39 -0.03 -0.20 0.00 -1.27 0.00 0.00 60.65 58.75 1orj h LYS 2100Cb 1.24 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 1orj h LYS 2100CO 0.62 0.36 -0.90 1.05 -2.27 0.00 0.00 179.45 178.31 1orj h GLU 2101N 0.57 0.21 -0.27 1.90 9.09 -1.97 0.31 114.58 124.40 1orj h GLU 2101Ca 0.48 -0.23 0.05 0.00 0.05 0.00 0.00 59.36 59.71 1orj h GLU 2101Cb 0.96 0.07 -0.05 0.00 -1.65 0.00 0.00 28.75 28.08 1orj h GLU 2101CO -0.22 0.98 -0.06 0.93 0.05 0.00 0.00 179.01 180.69 1orj h GLU 2102N 0.11 0.01 -0.76 1.06 5.08 -1.83 0.57 114.58 118.81 1orj h GLU 2102Ca -0.05 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1orj h GLU 2102Cb 1.54 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.76 1orj h GLU 2102CO 0.14 0.01 0.32 -0.07 -1.00 0.00 0.00 179.01 178.40 1orj h LEU 2103N 0.01 1.03 -0.80 1.33 3.38 -1.00 -0.43 115.31 118.83 1orj h LEU 2103Ca 0.13 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1orj h LEU 2103Cb 0.20 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1orj h LEU 2103CO -0.27 0.91 0.45 1.56 0.09 0.00 0.00 178.44 181.18 1orj h GLN 2104N 1.10 1.11 -0.69 1.13 4.20 0.91 0.16 115.11 123.02 1orj h GLN 2104Ca 0.26 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.78 1orj h GLN 2104Cb 0.19 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 1orj h GLN 2104CO -0.02 0.80 0.16 0.87 -0.67 0.00 0.00 178.83 179.97 1orj h LYS 2105N 1.10 1.11 -0.93 1.46 1.79 0.61 -1.40 116.57 120.32 1orj h LYS 2105Ca 0.28 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1orj h LYS 2105Cb 0.01 -0.14 -0.05 0.00 -1.58 0.00 0.00 32.23 30.47 1orj h LYS 2105CO -0.05 0.99 0.58 0.82 -1.08 0.00 0.00 179.45 180.71 1orj h ILE 2106N 1.04 1.25 -0.88 1.86 2.04 -0.01 0.81 117.51 123.61 1orj h ILE 2106Ca 0.22 -0.50 0.05 0.00 1.00 0.00 0.00 64.86 65.63 1orj h ILE 2106Cb 0.38 -0.09 -0.06 0.00 -0.74 0.00 0.00 36.82 36.31 1orj h ILE 2106CO 0.00 0.25 0.56 0.25 0.00 0.00 0.00 178.15 179.21 1orj h LEU 2107N 1.27 0.89 -0.50 1.44 5.85 -0.28 0.05 115.31 124.03 1orj h LEU 2107Ca 0.34 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.97 1orj h LEU 2107Cb -0.09 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 1orj h LEU 2107CO -0.07 0.58 -0.05 -0.33 -0.34 0.00 0.00 178.44 178.24 1orj h GLU 2108N 1.03 0.92 -0.12 1.25 5.08 0.03 -1.27 114.58 121.50 1orj h GLU 2108Ca 0.37 -0.32 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1orj h GLU 2108Cb 0.12 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1orj h GLU 2108CO -0.16 0.97 0.05 0.82 -1.00 0.00 0.00 179.01 179.70 1orj h ILE 2109N 0.79 0.98 -0.93 3.13 2.04 -0.31 0.10 117.51 123.31 1orj h ILE 2109Ca 0.14 -0.04 0.06 0.00 1.00 0.00 0.00 64.86 66.01 1orj h ILE 2109Cb 0.59 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 37.47 1orj h ILE 2109CO 0.04 0.02 0.59 -0.07 0.00 0.00 0.00 178.15 178.73 1orj h LEU 2110N 0.11 0.95 -0.47 1.44 3.38 -0.83 0.22 115.31 120.12 1orj h LEU 2110Ca 0.05 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1orj h LEU 2110Cb 0.02 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1orj h LEU 2110CO -0.05 0.62 0.12 0.11 0.09 0.00 0.00 178.44 179.34 1orj h LYS 2111N 1.10 0.74 -0.16 1.13 1.57 -0.94 0.04 116.57 120.05 1orj h LYS 2111Ca 0.39 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1orj h LYS 2111Cb 0.13 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1orj h LYS 2111CO -0.16 0.72 0.08 -0.44 -0.57 0.00 0.00 179.45 179.08 1orj h ASP 2112N 0.62 0.21 -0.59 0.86 3.32 0.26 -1.92 116.42 119.18 1orj h ASP 2112Ca 0.15 -0.13 0.04 0.00 0.02 0.00 0.00 57.03 57.11 1orj h ASP 2112Cb 0.31 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.76 1orj h ASP 2112CO -0.00 0.28 0.33 -0.07 -1.72 0.00 0.00 179.24 178.06 1orj h LEU 2113N 0.13 0.51 -1.02 1.55 3.38 -0.37 -1.50 115.31 117.99 1orj h LEU 2113Ca 0.06 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1orj h LEU 2113Cb 0.13 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1orj h LEU 2113CO -0.01 0.34 0.25 -0.09 0.09 0.00 0.00 178.44 179.03 1orj h ARG 2114N 0.64 0.95 -0.19 1.13 2.43 -0.88 0.21 114.38 118.66 1orj h ARG 2114Ca 0.25 -0.16 0.05 0.00 -0.81 0.00 0.00 59.98 59.31 1orj h ARG 2114Cb 0.11 -0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 29.43 1orj h ARG 2114CO -0.15 0.79 -0.41 0.93 -1.51 0.00 0.00 179.97 179.62 1orj h GLU 2115N 0.94 -0.43 -0.95 0.20 5.08 -0.52 0.42 114.58 119.33 1orj h GLU 2115Ca 0.22 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.69 1orj h GLU 2115Cb 0.19 0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.48 1orj h GLU 2115CO -0.02 -0.29 0.61 0.00 -1.00 0.00 0.00 179.01 178.32 1orj h ALA 2116N 0.22 1.51 -0.00 3.43 0.00 -0.32 0.23 119.26 124.33 1orj h ALA 2116Ca 0.09 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1orj h ALA 2116Cb 0.61 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1orj h ALA 2116CO -0.43 0.32 -0.64 -1.49 0.00 0.00 0.00 179.25 177.01 1orj h TRP 2117N 1.04 0.01 -0.02 0.00 4.06 -0.34 -0.82 115.95 119.88 1orj h TRP 2117Ca 0.42 -0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.37 1orj h TRP 2117Cb 0.28 -0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.44 1orj h TRP 2117CO -0.00 0.65 0.00 0.93 -3.56 0.00 0.00 178.44 176.46 1orj h GLU 2118N 0.01 0.03 -0.45 0.49 5.08 0.19 -2.08 114.58 117.85 1orj h GLU 2118Ca -0.01 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.44 1orj h GLU 2118Cb 1.13 -0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.28 1orj h GLU 2118CO 0.08 0.27 -0.25 1.49 -1.00 0.00 0.00 179.01 179.61 1orj h GLU 2119N -0.21 -0.15 -0.18 2.33 4.81 -0.50 0.27 114.58 120.94 1orj h GLU 2119Ca 0.01 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 1orj h GLU 2119Cb 0.26 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1orj h GLU 2119CO 0.00 -0.10 0.24 0.28 -0.73 0.00 0.00 179.01 178.70 1orj h VAL 2120N -0.16 0.36 0.00 0.32 2.07 -0.95 -1.15 116.25 116.74 1orj h VAL 2120Ca 0.21 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.73 1orj h VAL 2120Cb 0.49 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1orj h VAL 2120CO -0.54 0.00 0.00 1.17 0.02 0.00 0.00 177.57 178.22 1orj n LYS 2121N -3.62 0.16 0.00 1.57 3.00 0.95 -5.09 118.16 115.13 1orj n LYS 2121Ca 0.02 0.16 0.00 0.00 -0.00 0.00 0.00 58.31 58.49 1orj n LYS 2121Cb 0.36 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.89 1orj n LYS 2121CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03