#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3he5 s SER 0 N 0.00 2.75 0.00 1.61 0.15 -1.26 -4.32 113.70 112.63 3he5 s SER 0 Ca 0.00 -1.62 0.00 0.00 0.70 0.00 0.00 55.95 55.03 3he5 s SER 0 Cb 0.00 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 3he5 s SER 0 CO 0.00 -0.88 0.00 0.00 1.20 0.00 0.00 173.24 173.56 3he5 n ALA 1 N -0.88 0.00 -0.05 5.45 0.00 -1.26 -4.84 120.51 118.92 3he5 n ALA 1 Ca -0.06 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.25 3he5 n ALA 1 Cb 0.65 -0.30 -0.07 0.00 0.00 0.00 0.00 19.45 19.73 3he5 n ALA 1 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3he5 h ARG 2 N 1.87 0.35 -0.42 0.00 2.43 -1.99 -1.26 114.38 115.35 3he5 h ARG 2 Ca 0.00 -0.19 0.06 0.00 -0.81 0.00 0.00 59.98 59.03 3he5 h ARG 2 Cb 0.06 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.57 3he5 h ARG 2 CO 0.00 0.76 0.14 -0.91 -1.51 0.00 0.00 179.97 178.44 3he5 h ASN 3 N -0.05 0.13 -0.19 -3.80 2.35 -1.88 0.94 115.58 113.09 3he5 h ASN 3 Ca 0.02 0.05 0.03 0.00 -0.55 0.00 0.00 56.30 55.85 3he5 h ASN 3 Cb 0.71 0.05 -0.03 0.00 0.05 0.00 0.00 38.32 39.10 3he5 h ASN 3 CO 0.04 0.11 0.00 0.00 -1.65 0.00 0.00 177.43 175.93 3he5 h ALA 4 N 1.29 0.17 -0.44 -0.83 0.00 -1.94 0.27 119.26 117.78 3he5 h ALA 4 Ca 0.20 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.19 3he5 h ALA 4 Cb 0.20 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3he5 h ALA 4 CO -0.22 -0.43 0.22 -0.92 0.00 0.00 0.00 179.25 177.90 3he5 h TYR 5 N 0.07 0.40 -0.65 0.00 3.20 -0.91 -1.68 116.97 117.40 3he5 h TYR 5 Ca 0.09 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.98 3he5 h TYR 5 Cb 0.10 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 3he5 h TYR 5 CO -0.16 0.20 0.42 -0.07 -1.64 0.00 0.00 178.16 176.91 3he5 h LEU 6 N 0.44 0.75 0.23 2.82 3.38 -0.28 -0.66 115.31 121.99 3he5 h LEU 6 Ca 0.19 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3he5 h LEU 6 Cb 0.10 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3he5 h LEU 6 CO -0.14 0.56 -0.24 0.03 0.09 0.00 0.00 178.44 178.74 3he5 h ARG 7 N 0.88 -0.49 -0.56 1.13 2.47 -0.15 -1.45 114.38 116.22 3he5 h ARG 7 Ca 0.24 0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.96 3he5 h ARG 7 Cb -0.08 0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.32 3he5 h ARG 7 CO -0.05 -0.33 0.21 0.87 0.56 0.00 0.00 179.97 181.24 3he5 h LYS 8 N -0.51 0.84 -0.60 0.04 1.57 -1.18 -2.02 116.57 114.71 3he5 h LYS 8 Ca -0.00 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 3he5 h LYS 8 Cb 0.48 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 3he5 h LYS 8 CO -0.06 0.73 0.32 -0.22 -0.57 0.00 0.00 179.45 179.64 3he5 h LYS 9 N 0.76 0.85 -0.53 3.15 3.64 -1.04 -0.80 116.57 122.60 3he5 h LYS 9 Ca 0.18 -0.11 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3he5 h LYS 9 Cb 0.21 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 3he5 h LYS 9 CO -0.01 0.66 0.35 0.82 -2.27 0.00 0.00 179.45 178.99 3he5 h ILE 10 N 0.81 1.12 -0.56 2.00 2.04 -1.10 -0.96 117.51 120.87 3he5 h ILE 10 Ca 0.21 -0.24 0.03 0.00 1.00 0.00 0.00 64.86 65.86 3he5 h ILE 10 Cb 0.07 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 36.46 3he5 h ILE 10 CO -0.03 0.13 0.32 0.00 0.00 0.00 0.00 178.15 178.57 3he5 h ALA 11 N 1.20 0.72 -0.61 1.87 0.00 -0.98 -0.44 119.26 121.02 3he5 h ALA 11 Ca 0.20 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3he5 h ALA 11 Cb -0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3he5 h ALA 11 CO -0.05 0.02 0.33 0.00 0.00 0.00 0.00 179.25 179.56 3he5 h ARG 12 N 0.63 0.84 -0.26 0.00 3.08 -0.83 -1.81 114.38 116.03 3he5 h ARG 12 Ca 0.23 -0.09 -0.16 0.00 0.07 0.00 0.00 59.98 60.03 3he5 h ARG 12 Cb 0.06 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 3he5 h ARG 12 CO -0.12 0.62 -0.49 -0.07 -1.07 0.00 0.00 179.97 178.84 3he5 h LEU 13 N 0.85 0.77 -0.56 3.04 3.38 -0.44 0.51 115.31 122.86 3he5 h LEU 13 Ca 0.22 -0.39 -0.12 0.00 0.09 0.00 0.00 57.88 57.68 3he5 h LEU 13 Cb 0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3he5 h LEU 13 CO -0.04 1.13 -0.14 0.11 0.09 0.00 0.00 178.44 179.59 3he5 h LYS 14 N 0.56 1.01 -0.44 1.13 1.57 -0.83 -1.50 116.57 118.07 3he5 h LYS 14 Ca 0.03 -0.39 -0.03 0.00 -1.87 0.00 0.00 60.65 58.39 3he5 h LYS 14 Cb 1.05 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 3he5 h LYS 14 CO 0.10 1.07 0.14 -0.22 -0.57 0.00 0.00 179.45 179.97 3he5 h LYS 15 N 0.89 0.67 -0.84 3.15 3.64 -1.20 -2.45 116.57 120.43 3he5 h LYS 15 Ca 0.13 -0.14 0.14 0.00 -1.27 0.00 0.00 60.65 59.51 3he5 h LYS 15 Cb 0.71 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.37 3he5 h LYS 15 CO 0.05 0.65 0.55 -0.44 -2.27 0.00 0.00 179.45 177.99 3he5 h ASP 16 N 0.56 0.56 0.11 4.20 3.32 -0.58 -2.20 116.42 122.39 3he5 h ASP 16 Ca 0.14 0.03 -0.20 0.00 0.02 0.00 0.00 57.03 57.02 3he5 h ASP 16 Cb 0.25 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3he5 h ASP 16 CO -0.01 0.29 -0.76 -1.13 -1.72 0.00 0.00 179.24 175.91 3he5 h ASN 17 N 0.59 0.66 0.50 6.45 -0.73 -0.83 -1.94 115.58 120.28 3he5 h ASN 17 Ca 0.42 -0.44 -0.06 0.00 1.87 0.00 0.00 56.30 58.09 3he5 h ASN 17 Cb 0.76 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 39.15 3he5 h ASN 17 CO -0.17 1.20 -0.30 -0.07 -0.37 0.00 0.00 177.43 177.72 3he5 h LEU 18 N 0.37 0.00 0.02 0.34 3.38 -1.05 -0.78 115.31 117.59 3he5 h LEU 18 Ca -0.04 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3he5 h LEU 18 Cb 1.36 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.11 3he5 h LEU 18 CO 0.14 0.30 -0.22 -0.61 0.09 0.00 0.00 178.44 178.14 3he5 h GLN 19 N 0.00 0.11 -0.90 1.13 5.75 -1.33 -2.56 115.11 117.31 3he5 h GLN 19 Ca -0.00 -0.15 0.17 0.00 -0.15 0.00 0.00 58.65 58.52 3he5 h GLN 19 Cb 0.63 0.05 -0.07 0.00 1.07 0.00 0.00 27.48 29.15 3he5 h GLN 19 CO 0.04 0.97 0.58 -0.07 -2.65 0.00 0.00 178.83 177.70 3he5 h LEU 20 N -0.68 0.57 -0.46 -2.39 3.38 -1.21 0.45 115.31 114.97 3he5 h LEU 20 Ca -0.03 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 3he5 h LEU 20 Cb 1.06 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 3he5 h LEU 20 CO 0.04 0.26 -0.06 -0.33 0.09 0.00 0.00 178.44 178.44 3he5 h GLU 21 N 0.58 0.85 -0.61 1.13 5.08 -1.19 -0.83 114.58 119.58 3he5 h GLU 21 Ca 0.47 -0.30 -0.10 0.00 -1.00 0.00 0.00 59.36 58.43 3he5 h GLU 21 Cb 0.91 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 3he5 h GLU 21 CO -0.21 0.93 0.01 0.00 -1.00 0.00 0.00 179.01 178.74 3he5 h ARG 22 N 0.69 1.08 -0.43 2.33 3.08 -0.70 -2.92 114.38 117.49 3he5 h ARG 22 Ca 0.12 -0.33 -0.04 0.00 0.07 0.00 0.00 59.98 59.80 3he5 h ARG 22 Cb 0.59 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 3he5 h ARG 22 CO 0.04 1.04 0.11 -0.44 -1.07 0.00 0.00 179.97 179.64 3he5 h ASP 23 N 0.98 0.59 -0.15 7.04 3.32 -0.03 -2.76 116.42 125.41 3he5 h ASP 23 Ca 0.18 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 3he5 h ASP 23 Cb 0.55 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 3he5 h ASP 23 CO 0.03 0.59 -0.11 -0.08 -1.72 0.00 0.00 179.24 177.96 3he5 h GLU 24 N 0.63 0.34 -0.02 3.56 4.81 -0.98 -1.86 114.58 121.06 3he5 h GLU 24 Ca 0.14 -0.16 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 3he5 h GLU 24 Cb 0.23 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 3he5 h GLU 24 CO -0.00 0.69 -0.42 1.96 -0.73 0.00 0.00 179.01 180.51 3he5 h GLN 25 N -0.01 0.05 -0.03 1.92 1.08 -1.47 -1.59 115.11 115.05 3he5 h GLN 25 Ca 0.03 -0.02 -0.25 0.00 -1.45 0.00 0.00 58.65 56.96 3he5 h GLN 25 Cb 0.60 -0.00 0.02 0.00 -0.05 0.00 0.00 27.48 28.05 3he5 h GLN 25 CO 0.03 0.46 -0.96 -0.91 -0.95 0.00 0.00 178.83 176.50 3he5 h ASN 26 N 0.04 0.90 -0.45 1.46 2.35 -1.49 -1.97 115.58 116.42 3he5 h ASN 26 Ca 0.00 -0.72 -0.00 0.00 -0.55 0.00 0.00 56.30 55.03 3he5 h ASN 26 Cb 0.76 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 3he5 h ASN 26 CO 0.06 1.49 0.29 -0.07 -1.65 0.00 0.00 177.43 177.55 3he5 h LEU 27 N 0.40 0.54 -0.37 1.61 3.38 -1.17 -0.45 115.31 119.25 3he5 h LEU 27 Ca -0.11 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 3he5 h LEU 27 Cb 1.61 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.21 3he5 h LEU 27 CO 0.19 0.41 -0.13 -0.33 0.09 0.00 0.00 178.44 178.67 3he5 h GLU 28 N 0.63 0.75 -0.85 1.13 5.08 -1.22 -1.23 114.58 118.87 3he5 h GLU 28 Ca 0.17 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 3he5 h GLU 28 Cb -0.04 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 3he5 h GLU 28 CO -0.03 0.91 0.48 0.87 -1.00 0.00 0.00 179.01 180.24 3he5 h LYS 29 N 0.54 1.18 -0.61 2.33 1.57 -0.76 -1.70 116.57 119.12 3he5 h LYS 29 Ca 0.09 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 3he5 h LYS 29 Cb 0.66 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 3he5 h LYS 29 CO 0.04 0.85 0.10 0.82 -0.57 0.00 0.00 179.45 180.70 3he5 h ILE 30 N 1.19 1.26 -0.08 1.86 2.04 -1.01 -2.80 117.51 119.97 3he5 h ILE 30 Ca 0.30 -0.99 -0.00 0.00 1.00 0.00 0.00 64.86 65.17 3he5 h ILE 30 Cb 0.01 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3he5 h ILE 30 CO -0.05 0.37 0.04 0.40 0.00 0.00 0.00 178.15 178.91 3he5 h ILE 31 N 0.91 1.12 0.00 -0.67 2.04 -0.82 -1.89 117.51 118.20 3he5 h ILE 31 Ca 0.19 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 3he5 h ILE 31 Cb 0.42 1.19 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 3he5 h ILE 31 CO 0.01 0.10 -0.14 0.00 0.00 0.00 0.00 178.15 178.12 3he5 h ALA 32 N 0.91 1.47 0.06 1.87 0.00 -1.33 0.54 119.26 122.77 3he5 h ALA 32 Ca 0.03 -0.13 -0.24 0.00 0.00 0.00 0.00 54.91 54.57 3he5 h ALA 32 Cb 0.12 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.91 3he5 h ALA 32 CO -0.00 0.18 -0.98 -0.91 0.00 0.00 0.00 179.25 177.54 3he5 h ASN 33 N 0.00 0.76 -0.70 0.00 2.35 -1.33 -1.32 115.58 115.33 3he5 h ASN 33 Ca -0.00 -0.79 -0.07 0.00 -0.55 0.00 0.00 56.30 54.88 3he5 h ASN 33 Cb 0.31 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 3he5 h ASN 33 CO 0.02 1.47 0.16 -0.07 -1.65 0.00 0.00 177.43 177.36 3he5 h LEU 34 N 0.15 1.08 -0.82 1.61 3.38 -1.01 -0.15 115.31 119.54 3he5 h LEU 34 Ca -0.14 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.54 3he5 h LEU 34 Cb 1.67 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 42.10 3he5 h LEU 34 CO 0.19 1.04 0.23 0.03 0.09 0.00 0.00 178.44 180.02 3he5 h ARG 35 N 1.07 1.10 -0.59 1.13 3.08 -0.93 -0.98 114.38 118.25 3he5 h ARG 35 Ca 0.22 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 3he5 h ARG 35 Cb 0.39 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 3he5 h ARG 35 CO 0.00 0.94 0.16 0.22 -1.07 0.00 0.00 179.97 180.22 3he5 h ASP 36 N 1.06 0.89 -0.64 7.04 3.58 -1.05 -2.50 116.42 124.80 3he5 h ASP 36 Ca 0.23 -0.22 -0.06 0.00 0.42 0.00 0.00 57.03 57.40 3he5 h ASP 36 Cb 0.29 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.08 3he5 h ASP 36 CO -0.01 0.88 0.19 -0.08 -2.88 0.00 0.00 179.24 177.34 3he5 h GLU 37 N 0.85 1.03 -0.07 0.28 4.81 -0.67 -2.32 114.58 118.49 3he5 h GLU 37 Ca 0.19 -0.22 -0.11 0.00 -0.13 0.00 0.00 59.36 59.09 3he5 h GLU 37 Cb 0.33 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3he5 h GLU 37 CO -0.00 0.89 -0.47 0.82 -0.73 0.00 0.00 179.01 179.52 3he5 h ILE 38 N 0.98 1.34 -0.27 2.32 2.04 -1.12 -1.93 117.51 120.87 3he5 h ILE 38 Ca 0.21 -1.67 -0.12 0.00 1.00 0.00 0.00 64.86 64.29 3he5 h ILE 38 Cb 0.31 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 3he5 h ILE 38 CO -0.00 0.49 -0.33 0.00 0.00 0.00 0.00 178.15 178.31 3he5 h ALA 39 N 1.38 0.93 0.01 1.87 0.00 -1.10 0.05 119.26 122.41 3he5 h ALA 39 Ca 0.01 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 3he5 h ALA 39 Cb 0.89 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3he5 h ALA 39 CO 0.07 0.62 -0.01 0.00 0.00 0.00 0.00 179.25 179.93 3he5 h ARG 40 N 0.48 -0.02 -0.53 0.00 3.08 -1.28 -2.47 114.38 113.64 3he5 h ARG 40 Ca 0.06 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.20 3he5 h ARG 40 Cb 0.80 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.79 3he5 h ARG 40 CO 0.07 0.41 0.12 -0.07 -1.07 0.00 0.00 179.97 179.43 3he5 h LEU 41 N -0.46 0.03 -1.30 3.04 3.38 -1.27 0.28 115.31 119.01 3he5 h LEU 41 Ca -0.00 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3he5 h LEU 41 Cb 0.44 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3he5 h LEU 41 CO 0.00 0.04 0.05 -0.33 0.09 0.00 0.00 178.44 178.30 3he5 h GLU 42 N 0.26 0.53 -0.14 1.13 5.08 -1.00 -0.16 114.58 120.28 3he5 h GLU 42 Ca 0.27 -0.09 -0.20 0.00 -1.00 0.00 0.00 59.36 58.33 3he5 h GLU 42 Cb 0.36 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.54 3he5 h GLU 42 CO -0.34 0.51 -0.70 -0.97 -1.00 0.00 0.00 179.01 176.51 3he5 h ASN 43 N 0.51 0.86 -0.02 1.42 -0.73 -0.77 -1.49 115.58 115.36 3he5 h ASN 43 Ca 0.12 -0.63 0.00 0.00 1.87 0.00 0.00 56.30 57.65 3he5 h ASN 43 Cb 0.25 -0.25 -0.00 0.00 0.27 0.00 0.00 38.32 38.58 3he5 h ASN 43 CO 0.00 1.35 0.00 -0.33 -0.37 0.00 0.00 177.43 178.09 3he5 h GLU 44 N 0.42 0.02 -0.19 6.67 4.39 -0.06 -3.11 114.58 122.71 3he5 h GLU 44 Ca -0.05 -0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.53 3he5 h GLU 44 Cb 1.34 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.98 3he5 h GLU 44 CO 0.15 0.01 -0.41 -0.24 -1.16 0.00 0.00 179.01 177.36 3he5 h VAL 45 N 0.02 1.31 -0.00 3.13 3.04 -1.10 -3.51 116.25 119.13 3he5 h VAL 45 Ca 0.01 -1.56 0.00 0.00 -1.01 0.00 0.00 66.70 64.14 3he5 h VAL 45 Cb 0.01 1.61 0.00 0.00 -2.01 0.00 0.00 31.29 30.90 3he5 h VAL 45 CO -0.01 0.48 0.00 0.00 -1.01 0.00 0.00 177.57 177.03