#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3he5 h LEU 2 N 0.00 0.93 -0.14 1.20 5.85 -2.05 0.17 115.31 121.26 3he5 h LEU 2 Ca 0.00 -0.63 -0.03 0.00 0.84 0.00 0.00 57.88 58.07 3he5 h LEU 2 Cb 0.00 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.75 3he5 h LEU 2 CO 0.00 1.40 -0.02 0.58 -0.34 0.00 0.00 178.44 180.07 3he5 h VAL 3 N 0.51 1.27 -1.04 1.05 2.07 -2.05 0.35 116.25 118.42 3he5 h VAL 3 Ca -0.05 -0.91 0.27 0.00 0.82 0.00 0.00 66.70 66.83 3he5 h VAL 3 Cb 1.38 1.59 -0.09 0.00 -1.52 0.00 0.00 31.29 32.65 3he5 h VAL 3 CO 0.16 0.27 0.68 0.00 0.02 0.00 0.00 177.57 178.69 3he5 h ALA 4 N 0.73 2.33 0.06 1.67 0.00 -2.00 -1.00 119.26 121.05 3he5 h ALA 4 Ca 0.04 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3he5 h ALA 4 Cb 0.42 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3he5 h ALA 4 CO 0.01 -0.72 -0.03 0.37 0.00 0.00 0.00 179.25 178.88 3he5 h GLN 5 N 0.35 -0.08 -0.72 0.00 4.15 -0.52 -3.23 115.11 115.05 3he5 h GLN 5 Ca 0.58 0.01 0.03 0.00 0.77 0.00 0.00 58.65 60.03 3he5 h GLN 5 Cb 1.57 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 29.23 3he5 h GLN 5 CO -0.26 0.47 0.46 -0.07 -1.93 0.00 0.00 178.83 177.50 3he5 h LEU 6 N -0.92 0.76 -0.77 -2.39 3.38 0.22 -2.13 115.31 113.46 3he5 h LEU 6 Ca -0.01 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 3he5 h LEU 6 Cb 0.59 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3he5 h LEU 6 CO 0.01 0.53 -0.37 -0.33 0.09 0.00 0.00 178.44 178.37 3he5 h GLU 7 N 0.90 0.49 -0.19 1.13 5.08 -1.36 -1.58 114.58 119.05 3he5 h GLU 7 Ca 0.29 -0.23 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 3he5 h GLU 7 Cb -0.01 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3he5 h GLU 7 CO -0.10 0.79 -0.36 -0.91 -1.00 0.00 0.00 179.01 177.43 3he5 h ASN 8 N 0.41 0.42 -0.11 1.42 2.35 -1.50 -1.55 115.58 117.02 3he5 h ASN 8 Ca 0.04 -0.17 -0.14 0.00 -0.55 0.00 0.00 56.30 55.48 3he5 h ASN 8 Cb 0.84 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 3he5 h ASN 8 CO 0.07 0.75 -0.41 -0.08 -1.65 0.00 0.00 177.43 176.11 3he5 h GLU 9 N 0.35 0.65 -0.22 0.81 4.57 -1.07 -0.57 114.58 119.09 3he5 h GLU 9 Ca 0.04 -0.34 -0.03 0.00 -1.18 0.00 0.00 59.36 57.85 3he5 h GLU 9 Cb 0.80 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.39 3he5 h GLU 9 CO 0.06 0.94 0.02 0.28 -1.18 0.00 0.00 179.01 179.14 3he5 h VAL 10 N 0.53 1.24 -0.49 0.32 2.07 -1.18 -1.52 116.25 117.21 3he5 h VAL 10 Ca 0.04 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 3he5 h VAL 10 Cb 0.93 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 3he5 h VAL 10 CO 0.08 0.25 0.16 0.00 0.02 0.00 0.00 177.57 178.08 3he5 h ALA 11 N 0.83 1.36 -0.12 1.67 0.00 -1.20 -2.04 119.26 119.75 3he5 h ALA 11 Ca 0.07 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3he5 h ALA 11 Cb 0.35 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3he5 h ALA 11 CO 0.01 0.47 -0.11 1.03 0.00 0.00 0.00 179.25 180.64 3he5 h SER 12 N 0.71 0.31 0.43 0.00 0.87 -0.96 -2.34 113.55 112.56 3he5 h SER 12 Ca 0.17 -0.47 -0.08 0.00 -1.23 0.00 0.00 61.79 60.17 3he5 h SER 12 Cb 0.20 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 3he5 h SER 12 CO -0.01 0.72 -0.37 -0.07 -0.53 0.00 0.00 176.83 176.57 3he5 h LEU 13 N -0.09 0.00 -0.11 2.23 3.38 -1.24 -2.21 115.31 117.27 3he5 h LEU 13 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3he5 h LEU 13 Cb 0.63 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 3he5 h LEU 13 CO 0.03 0.37 -0.02 -0.33 0.09 0.00 0.00 178.44 178.59 3he5 h GLU 14 N 0.00 0.20 -0.27 1.13 5.08 -1.29 -1.12 114.58 118.31 3he5 h GLU 14 Ca -0.00 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3he5 h GLU 14 Cb 0.69 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 3he5 h GLU 14 CO 0.05 0.49 0.11 -0.97 -1.00 0.00 0.00 179.01 177.69 3he5 h ASN 15 N -0.11 0.15 -0.65 1.42 -0.73 -1.25 0.22 115.58 114.63 3he5 h ASN 15 Ca 0.03 0.02 0.03 0.00 1.87 0.00 0.00 56.30 58.25 3he5 h ASN 15 Cb 0.41 -0.00 -0.04 0.00 0.27 0.00 0.00 38.32 38.95 3he5 h ASN 15 CO 0.01 0.12 0.40 -0.08 -0.37 0.00 0.00 177.43 177.51 3he5 h GLU 16 N 0.25 0.77 -0.18 6.67 4.81 -1.36 0.21 114.58 125.75 3he5 h GLU 16 Ca 0.12 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 3he5 h GLU 16 Cb 0.06 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 3he5 h GLU 16 CO -0.10 0.51 0.00 -0.91 -0.73 0.00 0.00 179.01 177.78 3he5 h ASN 17 N 0.79 0.31 -0.56 1.04 2.35 -1.10 -2.20 115.58 116.21 3he5 h ASN 17 Ca 0.26 -0.31 0.07 0.00 -0.55 0.00 0.00 56.30 55.78 3he5 h ASN 17 Cb 0.02 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.27 3he5 h ASN 17 CO -0.10 0.54 0.38 -0.08 -1.65 0.00 0.00 177.43 176.51 3he5 h GLU 18 N 0.07 0.47 -0.07 0.81 4.81 -0.46 0.10 114.58 120.30 3he5 h GLU 18 Ca 0.05 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.14 3he5 h GLU 18 Cb 0.38 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.66 3he5 h GLU 18 CO 0.01 0.31 -0.41 1.15 -0.73 0.00 0.00 179.01 179.34 3he5 h THR 19 N 0.48 1.41 -0.38 0.32 2.02 -0.79 -2.16 112.91 113.80 3he5 h THR 19 Ca 0.25 -1.80 -0.05 0.00 0.77 0.00 0.00 66.41 65.58 3he5 h THR 19 Cb 0.36 2.32 -0.01 0.00 -1.74 0.00 0.00 68.15 69.08 3he5 h THR 19 CO -0.07 0.53 0.02 0.25 0.37 0.00 0.00 175.52 176.62 3he5 h LEU 20 N -0.06 0.64 -0.35 2.58 5.85 -1.00 -2.31 115.31 120.65 3he5 h LEU 20 Ca -0.03 -0.29 0.05 0.00 0.84 0.00 0.00 57.88 58.45 3he5 h LEU 20 Cb 1.06 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.88 3he5 h LEU 20 CO 0.08 0.77 0.09 0.50 -0.34 0.00 0.00 178.44 179.54 3he5 h LYS 21 N 0.48 0.21 -0.57 1.25 3.64 -0.80 0.76 116.57 121.54 3he5 h LYS 21 Ca 0.11 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 3he5 h LYS 21 Cb 0.43 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 3he5 h LYS 21 CO 0.01 0.14 0.28 -0.22 -2.27 0.00 0.00 179.45 177.39 3he5 h LYS 22 N 0.22 0.80 -0.24 1.90 3.64 -1.36 -0.53 116.57 121.00 3he5 h LYS 22 Ca 0.16 -0.10 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 3he5 h LYS 22 Cb 0.16 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3he5 h LYS 22 CO -0.19 0.62 -0.16 0.87 -2.27 0.00 0.00 179.45 178.31 3he5 h LYS 23 N 0.80 0.42 -0.15 1.90 1.57 -0.62 -2.45 116.57 118.05 3he5 h LYS 23 Ca 0.20 -0.13 -0.20 0.00 -1.87 0.00 0.00 60.65 58.65 3he5 h LYS 23 Cb 0.08 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3he5 h LYS 23 CO -0.03 0.58 -0.71 -0.91 -0.57 0.00 0.00 179.45 177.81 3he5 h ASN 24 N 0.39 0.79 0.58 0.86 2.35 -0.13 -2.50 115.58 117.92 3he5 h ASN 24 Ca 0.07 -0.49 -0.02 0.00 -0.55 0.00 0.00 56.30 55.31 3he5 h ASN 24 Cb 0.52 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 3he5 h ASN 24 CO 0.03 1.27 -0.08 -0.07 -1.65 0.00 0.00 177.43 176.93 3he5 h LEU 25 N 0.47 0.00 0.19 1.61 3.38 -0.97 0.68 115.31 120.67 3he5 h LEU 25 Ca -0.03 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.62 3he5 h LEU 25 Cb 1.32 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.09 3he5 h LEU 25 CO 0.14 0.08 -1.47 -0.74 0.09 0.00 0.00 178.44 176.54 3he5 h HIS 26 N 0.00 0.74 -0.50 1.13 2.76 -1.37 -2.72 115.15 115.19 3he5 h HIS 26 Ca -0.00 -0.54 -0.05 0.00 -2.20 0.00 0.00 60.37 57.58 3he5 h HIS 26 Cb 0.39 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.29 3he5 h HIS 26 CO 0.00 1.48 0.09 0.87 -1.30 0.00 0.00 177.93 179.07 3he5 h LYS 27 N 0.11 0.78 -0.57 5.26 1.57 -0.92 -0.62 116.57 122.18 3he5 h LYS 27 Ca -0.23 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.32 3he5 h LYS 27 Cb 2.09 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 34.26 3he5 h LYS 27 CO 0.23 0.72 0.13 0.87 -0.57 0.00 0.00 179.45 180.83 3he5 h LYS 28 N 0.74 0.89 -0.37 3.15 1.57 -0.94 -0.80 116.57 120.81 3he5 h LYS 28 Ca 0.16 -0.19 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 3he5 h LYS 28 Cb 0.32 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3he5 h LYS 28 CO 0.00 0.80 -0.22 -0.44 -0.57 0.00 0.00 179.45 179.02 3he5 h ASP 29 N 0.85 0.75 -0.50 0.86 3.32 -1.06 -1.79 116.42 118.85 3he5 h ASP 29 Ca 0.18 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 3he5 h ASP 29 Cb 0.32 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 3he5 h ASP 29 CO 0.00 0.95 0.23 0.25 -1.72 0.00 0.00 179.24 178.95 3he5 h LEU 30 N 0.65 0.67 -1.10 1.55 5.85 -0.88 -2.39 115.31 119.66 3he5 h LEU 30 Ca 0.09 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3he5 h LEU 30 Cb 0.72 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 3he5 h LEU 30 CO 0.06 0.62 0.41 0.40 -0.34 0.00 0.00 178.44 179.59 3he5 h ILE 31 N 0.67 1.22 -0.49 4.05 2.04 -0.91 0.20 117.51 124.29 3he5 h ILE 31 Ca 0.17 -0.55 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 3he5 h ILE 31 Cb 0.14 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 3he5 h ILE 31 CO -0.02 0.25 0.30 0.00 0.00 0.00 0.00 178.15 178.68 3he5 h ALA 32 N 1.41 0.63 -0.71 1.87 0.00 -1.18 0.48 119.26 121.75 3he5 h ALA 32 Ca 0.27 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3he5 h ALA 32 Cb 0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3he5 h ALA 32 CO -0.04 0.11 0.23 -0.92 0.00 0.00 0.00 179.25 178.62 3he5 h TYR 33 N 0.66 1.13 -0.46 0.00 3.20 -0.85 -1.97 116.97 118.68 3he5 h TYR 33 Ca 0.18 -0.11 -0.13 0.00 3.14 0.00 0.00 58.73 61.80 3he5 h TYR 33 Cb -0.02 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 37.91 3he5 h TYR 33 CO -0.03 0.90 -0.22 -0.07 -1.64 0.00 0.00 178.16 177.10 3he5 h LEU 34 N 1.04 1.00 -0.70 2.82 3.38 -0.28 -2.06 115.31 120.50 3he5 h LEU 34 Ca 0.23 -0.40 -0.14 0.00 0.09 0.00 0.00 57.88 57.66 3he5 h LEU 34 Cb 0.29 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3he5 h LEU 34 CO -0.01 1.18 -0.54 -0.33 0.09 0.00 0.00 178.44 178.83 3he5 h GLU 35 N 0.81 0.29 -0.42 1.13 5.08 -0.83 -2.41 114.58 118.24 3he5 h GLU 35 Ca 0.10 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 3he5 h GLU 35 Cb 0.80 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 3he5 h GLU 35 CO 0.07 0.76 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.58 3he5 h LYS 36 N 0.23 0.70 -0.23 2.33 3.64 -1.30 -2.14 116.57 119.79 3he5 h LYS 36 Ca 0.00 -0.19 -0.08 0.00 -1.27 0.00 0.00 60.65 59.11 3he5 h LYS 36 Cb 1.03 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 3he5 h LYS 36 CO 0.09 0.75 -0.22 1.49 -2.27 0.00 0.00 179.45 179.28 3he5 h GLU 37 N 0.66 0.43 0.00 1.90 4.57 -1.03 -2.54 114.58 118.56 3he5 h GLU 37 Ca 0.13 -0.15 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3he5 h GLU 37 Cb 0.46 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 3he5 h GLU 37 CO 0.02 0.63 -0.01 0.82 -1.18 0.00 0.00 179.01 179.29 3he5 h ILE 38 N 0.38 1.65 -0.74 2.32 2.04 -1.23 -2.27 117.51 119.67 3he5 h ILE 38 Ca 0.06 -1.92 0.17 0.00 1.00 0.00 0.00 64.86 64.17 3he5 h ILE 38 Cb 0.60 2.95 -0.04 0.00 -0.74 0.00 0.00 36.82 39.59 3he5 h ILE 38 CO 0.04 0.50 0.51 0.00 0.00 0.00 0.00 178.15 179.20 3he5 h ALA 39 N 0.19 2.31 0.33 1.87 0.00 -1.39 0.14 119.26 122.71 3he5 h ALA 39 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3he5 h ALA 39 Cb 0.83 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3he5 h ALA 39 CO 0.00 -0.52 -0.16 -0.97 0.00 0.00 0.00 179.25 177.60 3he5 h ASN 40 N 0.26 -0.38 -0.16 0.00 -0.00 -1.42 -1.92 115.58 111.96 3he5 h ASN 40 Ca 0.36 -0.17 -0.01 0.00 -0.00 0.00 0.00 56.30 56.49 3he5 h ASN 40 Cb 1.04 0.10 -0.01 0.00 -0.00 0.00 0.00 38.32 39.45 3he5 h ASN 40 CO -0.09 0.03 0.08 -0.07 -0.00 0.00 0.00 177.43 177.39 3he5 h LEU 41 N -0.87 0.22 -0.10 0.34 3.38 -0.73 -1.67 115.31 115.88 3he5 h LEU 41 Ca -0.05 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.73 3he5 h LEU 41 Cb 0.53 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.23 3he5 h LEU 41 CO 0.08 0.20 -0.64 0.03 0.09 0.00 0.00 178.44 178.20 3he5 h ARG 42 N 0.26 0.62 0.00 1.13 3.08 -0.78 -2.71 114.38 115.97 3he5 h ARG 42 Ca 0.07 -0.53 -0.01 0.00 0.07 0.00 0.00 59.98 59.58 3he5 h ARG 42 Cb 0.04 0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 3he5 h ARG 42 CO -0.01 1.15 -0.04 0.87 -1.07 0.00 0.00 179.97 180.87 3he5 h LYS 43 N 0.26 0.00 -0.17 0.04 1.57 -1.03 -0.69 116.57 116.55 3he5 h LYS 43 Ca -0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3he5 h LYS 43 Cb 1.29 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.59 3he5 h LYS 43 CO 0.13 0.04 0.06 0.87 -0.57 0.00 0.00 179.45 179.98 3he5 h LYS 44 N 0.00 0.26 -0.06 3.15 1.57 -0.98 -3.19 116.57 117.31 3he5 h LYS 44 Ca -0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3he5 h LYS 44 Cb 0.15 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3he5 h LYS 44 CO 0.01 0.35 0.00 -0.89 -0.57 0.00 0.00 179.45 178.35 3he5 n ILE 45 N -4.84 0.04 0.47 1.86 5.41 -1.05 -5.12 119.36 116.12 3he5 n ILE 45 Ca -0.04 -0.51 0.04 0.00 1.00 0.00 0.00 62.75 63.23 3he5 n ILE 45 Cb 0.13 1.44 0.22 0.00 -0.71 0.00 0.00 39.64 40.73 3he5 n ILE 45 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76