#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3he4 n THR 2 N 0.00 1.83 -0.26 -0.44 -1.04 -1.26 -4.79 114.28 108.32 3he4 n THR 2 Ca 0.00 -0.46 0.06 0.00 -2.04 0.00 0.00 64.05 61.62 3he4 n THR 2 Cb 0.00 -1.74 0.30 0.00 -1.82 0.00 0.00 70.33 67.08 3he4 n THR 2 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3he4 h VAL 3 N 2.79 1.00 -0.32 12.58 2.07 -2.06 0.30 116.25 132.62 3he4 h VAL 3 Ca -0.48 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 66.71 3he4 h VAL 3 Cb 1.26 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3he4 h VAL 3 CO 0.66 0.16 0.06 0.50 0.02 0.00 0.00 177.57 178.96 3he4 h LYS 4 N 0.87 0.52 -0.25 1.57 3.64 -2.01 -2.72 116.57 118.19 3he4 h LYS 4 Ca 0.38 -0.14 0.01 0.00 -1.27 0.00 0.00 60.65 59.63 3he4 h LYS 4 Cb 0.33 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 3he4 h LYS 4 CO -0.15 0.61 0.15 0.93 -2.27 0.00 0.00 179.45 178.72 3he4 h GLU 5 N 0.35 0.29 -0.59 1.90 5.08 -1.60 -2.98 114.58 117.03 3he4 h GLU 5 Ca 0.10 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.49 3he4 h GLU 5 Cb 0.34 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 3he4 h GLU 5 CO 0.01 0.19 0.32 -0.07 -1.00 0.00 0.00 179.01 178.46 3he4 h LEU 6 N 0.30 0.49 -1.13 1.33 3.38 -0.92 -1.99 115.31 116.76 3he4 h LEU 6 Ca 0.10 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 3he4 h LEU 6 Cb -0.01 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3he4 h LEU 6 CO -0.04 0.33 -0.40 0.11 0.09 0.00 0.00 178.44 178.52 3he4 h LYS 7 N 0.62 0.06 -0.23 1.13 1.57 -1.41 0.11 116.57 118.42 3he4 h LYS 7 Ca 0.26 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.93 3he4 h LYS 7 Cb 0.13 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 3he4 h LYS 7 CO -0.16 0.46 -0.16 -0.91 -0.57 0.00 0.00 179.45 178.11 3he4 h ASN 8 N 0.05 0.53 -0.51 0.86 4.21 -1.33 -1.61 115.58 117.79 3he4 h ASN 8 Ca 0.00 -0.44 -0.09 0.00 1.21 0.00 0.00 56.30 56.98 3he4 h ASN 8 Cb 0.74 -0.15 -0.02 0.00 -1.12 0.00 0.00 38.32 37.77 3he4 h ASN 8 CO 0.05 0.86 -0.02 0.22 -1.29 0.00 0.00 177.43 177.26 3he4 h TYR 9 N 0.20 1.03 -0.61 1.19 3.20 -1.12 -2.33 116.97 118.53 3he4 h TYR 9 Ca 0.04 -0.17 -0.00 0.00 3.14 0.00 0.00 58.73 61.74 3he4 h TYR 9 Cb 0.68 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.65 3he4 h TYR 9 CO 0.07 0.93 0.37 0.82 -1.64 0.00 0.00 178.16 178.72 3he4 h ILE 10 N 0.87 1.18 -0.80 1.81 2.04 -0.92 0.14 117.51 121.83 3he4 h ILE 10 Ca 0.16 -0.40 0.13 0.00 1.00 0.00 0.00 64.86 65.76 3he4 h ILE 10 Cb 0.54 0.34 -0.09 0.00 -0.74 0.00 0.00 36.82 36.86 3he4 h ILE 10 CO 0.03 0.18 0.39 -0.61 0.00 0.00 0.00 178.15 178.14 3he4 h GLN 11 N 0.83 0.56 -0.26 2.37 5.75 -0.90 -0.42 115.11 123.04 3he4 h GLN 11 Ca 0.22 -0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 58.58 3he4 h GLN 11 Cb -0.02 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 28.39 3he4 h GLN 11 CO -0.04 0.37 -0.24 0.93 -2.65 0.00 0.00 178.83 177.21 3he4 h GLU 12 N 0.58 0.63 -0.91 1.69 5.08 -0.77 -2.54 114.58 118.33 3he4 h GLU 12 Ca 0.43 -0.32 0.02 0.00 -1.00 0.00 0.00 59.36 58.49 3he4 h GLU 12 Cb 0.59 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.80 3he4 h GLU 12 CO -0.35 0.92 0.60 -0.07 -1.00 0.00 0.00 179.01 179.11 3he4 h LEU 13 N 0.35 1.03 -0.84 1.33 3.38 -0.03 -1.06 115.31 119.47 3he4 h LEU 13 Ca 0.05 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 3he4 h LEU 13 Cb 0.79 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3he4 h LEU 13 CO 0.06 0.73 -0.44 -0.33 0.09 0.00 0.00 178.44 178.55 3he4 h GLU 14 N 1.21 0.00 -0.09 1.13 5.08 -1.10 -0.51 114.58 120.31 3he4 h GLU 14 Ca 0.34 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.67 3he4 h GLU 14 Cb -0.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 3he4 h GLU 14 CO -0.09 0.44 -0.06 0.93 -1.00 0.00 0.00 179.01 179.23 3he4 h GLU 15 N 0.00 0.20 -0.36 2.33 5.08 -0.91 -2.05 114.58 118.87 3he4 h GLU 15 Ca -0.00 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 3he4 h GLU 15 Cb 0.98 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 3he4 h GLU 15 CO 0.06 0.59 -0.10 -0.09 -1.00 0.00 0.00 179.01 178.47 3he4 h ARG 16 N -0.19 0.61 -0.71 2.33 2.43 -1.12 -1.10 114.38 116.62 3he4 h ARG 16 Ca 0.02 -0.18 0.04 0.00 -0.81 0.00 0.00 59.98 59.05 3he4 h ARG 16 Cb 0.54 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.97 3he4 h ARG 16 CO 0.02 0.70 0.43 -0.97 -1.51 0.00 0.00 179.97 178.64 3he4 h ASN 17 N 0.56 0.69 -0.43 -3.80 -0.73 -1.05 0.40 115.58 111.22 3he4 h ASN 17 Ca 0.10 0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.26 3he4 h ASN 17 Cb 0.50 -0.13 -0.02 0.00 0.27 0.00 0.00 38.32 38.94 3he4 h ASN 17 CO 0.03 0.46 0.19 0.00 -0.37 0.00 0.00 177.43 177.74 3he4 h ALA 18 N 1.33 0.56 -0.33 1.57 0.00 -0.83 -0.97 119.26 120.59 3he4 h ALA 18 Ca 0.30 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3he4 h ALA 18 Cb 0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3he4 h ALA 18 CO -0.14 0.14 0.18 0.93 0.00 0.00 0.00 179.25 180.36 3he4 h GLU 19 N 0.55 0.47 -0.07 0.00 5.08 -0.58 -2.16 114.58 117.87 3he4 h GLU 19 Ca 0.15 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3he4 h GLU 19 Cb 0.15 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 3he4 h GLU 19 CO -0.02 0.39 0.02 -0.07 -1.00 0.00 0.00 179.01 178.34 3he4 h LEU 20 N 0.42 0.09 -0.86 1.33 3.38 -0.09 -1.28 115.31 118.30 3he4 h LEU 20 Ca 0.12 -0.19 0.08 0.00 0.09 0.00 0.00 57.88 57.98 3he4 h LEU 20 Cb 0.06 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.72 3he4 h LEU 20 CO -0.02 0.26 0.52 0.11 0.09 0.00 0.00 178.44 179.40 3he4 h LYS 21 N -0.08 0.87 0.63 1.13 1.57 -1.17 0.10 116.57 119.63 3he4 h LYS 21 Ca 0.02 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 3he4 h LYS 21 Cb 0.20 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.32 3he4 h LYS 21 CO -0.00 0.57 -0.30 -0.91 -0.57 0.00 0.00 179.45 178.24 3he4 h ASN 22 N 0.89 -0.71 -0.51 0.86 4.21 -1.20 -1.43 115.58 117.69 3he4 h ASN 22 Ca 0.40 0.02 0.08 0.00 1.21 0.00 0.00 56.30 58.01 3he4 h ASN 22 Cb 0.28 0.18 -0.07 0.00 -1.12 0.00 0.00 38.32 37.60 3he4 h ASN 22 CO -0.21 -0.50 0.13 0.25 -1.29 0.00 0.00 177.43 175.80 3he4 h LEU 23 N -0.85 0.06 -0.68 1.61 5.85 -0.91 -0.79 115.31 119.59 3he4 h LEU 23 Ca -0.09 0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.78 3he4 h LEU 23 Cb 0.65 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.72 3he4 h LEU 23 CO 0.14 0.06 0.38 0.50 -0.34 0.00 0.00 178.44 179.17 3he4 h LYS 24 N 0.28 0.67 -0.36 1.25 3.64 -0.71 -0.32 116.57 121.01 3he4 h LYS 24 Ca 0.26 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.46 3he4 h LYS 24 Cb 0.33 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 3he4 h LYS 24 CO -0.31 0.44 -0.32 1.49 -2.27 0.00 0.00 179.45 178.48 3he4 h GLU 25 N 0.69 0.79 0.21 1.90 4.81 -0.54 -0.24 114.58 122.19 3he4 h GLU 25 Ca 0.31 -0.37 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3he4 h GLU 25 Cb 0.21 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.58 3he4 h GLU 25 CO -0.19 0.99 -0.10 1.25 -0.73 0.00 0.00 179.01 180.23 3he4 h HIS 26 N 0.66 -0.26 -0.34 0.92 2.76 -0.65 -2.11 115.15 116.14 3he4 h HIS 26 Ca 0.07 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 3he4 h HIS 26 Cb 0.86 0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.88 3he4 h HIS 26 CO 0.05 -0.13 0.15 -0.07 -1.30 0.00 0.00 177.93 176.63 3he4 h LEU 27 N -0.32 0.42 0.06 0.26 3.38 -0.96 -1.44 115.31 116.72 3he4 h LEU 27 Ca -0.03 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3he4 h LEU 27 Cb 0.24 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3he4 h LEU 27 CO 0.05 0.38 -0.03 0.50 0.09 0.00 0.00 178.44 179.42 3he4 h LYS 28 N 0.48 -0.09 -0.32 1.13 3.64 -0.76 -0.13 116.57 120.53 3he4 h LYS 28 Ca 0.12 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 3he4 h LYS 28 Cb 0.08 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 3he4 h LYS 28 CO -0.01 -0.06 0.09 0.74 -2.27 0.00 0.00 179.45 177.94 3he4 h PHE 29 N -0.09 0.51 -0.60 1.91 0.04 -1.05 -1.96 116.94 115.71 3he4 h PHE 29 Ca -0.01 -0.05 0.07 0.00 2.80 0.00 0.00 57.97 60.78 3he4 h PHE 29 Cb 0.08 -0.15 -0.06 0.00 2.20 0.00 0.00 35.95 38.02 3he4 h PHE 29 CO -0.08 0.53 0.28 0.00 -0.60 0.00 0.00 178.31 178.43 3he4 h ALA 30 N 0.93 0.79 -0.39 2.45 0.00 -1.15 -0.80 119.26 121.08 3he4 h ALA 30 Ca 0.10 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3he4 h ALA 30 Cb 0.26 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3he4 h ALA 30 CO -0.00 -0.10 0.25 -0.22 0.00 0.00 0.00 179.25 179.18 3he4 h LYS 31 N 0.51 0.52 -0.86 0.00 3.64 -0.86 -2.28 116.57 117.24 3he4 h LYS 31 Ca 0.29 -0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.71 3he4 h LYS 31 Cb 0.27 -0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 31.90 3he4 h LYS 31 CO -0.23 0.36 0.52 0.00 -2.27 0.00 0.00 179.45 177.82 3he4 h ALA 32 N 1.13 1.21 -0.30 5.00 0.00 -0.52 0.86 119.26 126.64 3he4 h ALA 32 Ca 0.14 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3he4 h ALA 32 Cb -0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3he4 h ALA 32 CO -0.03 0.20 -0.18 0.93 0.00 0.00 0.00 179.25 180.17 3he4 h GLU 33 N 0.90 0.55 -0.18 0.00 5.08 -0.87 -1.13 114.58 118.93 3he4 h GLU 33 Ca 0.40 -0.18 -0.14 0.00 -1.00 0.00 0.00 59.36 58.44 3he4 h GLU 33 Cb 0.28 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3he4 h GLU 33 CO -0.21 0.70 -0.42 -0.07 -1.00 0.00 0.00 179.01 178.01 3he4 h LEU 34 N 0.49 0.68 -1.64 1.33 3.38 -0.78 -1.60 115.31 117.17 3he4 h LEU 34 Ca 0.08 -0.57 -0.00 0.00 0.09 0.00 0.00 57.88 57.48 3he4 h LEU 34 Cb 0.59 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3he4 h LEU 34 CO 0.04 1.12 0.18 -0.33 0.09 0.00 0.00 178.44 179.54 3he4 h GLU 35 N 0.27 0.41 0.02 1.13 5.08 -0.58 -0.47 114.58 120.44 3he4 h GLU 35 Ca -0.00 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3he4 h GLU 35 Cb 1.03 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.19 3he4 h GLU 35 CO 0.09 0.30 -0.01 0.35 -1.00 0.00 0.00 179.01 178.74 3he4 h PHE 36 N 0.42 -0.02 -1.00 4.33 3.57 -1.15 -1.05 116.94 122.05 3he4 h PHE 36 Ca 0.11 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.76 3he4 h PHE 36 Cb -0.00 0.01 -0.09 0.00 2.79 0.00 0.00 35.95 38.65 3he4 h PHE 36 CO 0.00 0.67 0.62 1.49 -2.23 0.00 0.00 178.31 178.85 3he4 h GLU 37 N -0.76 0.87 -0.34 1.11 4.81 -0.93 0.35 114.58 119.70 3he4 h GLU 37 Ca -0.00 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.07 3he4 h GLU 37 Cb 0.70 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 3he4 h GLU 37 CO 0.00 0.58 -0.20 1.25 -0.73 0.00 0.00 179.01 179.91 3he4 h LEU 38 N 0.90 0.75 -0.78 1.64 5.85 -1.11 -3.02 115.31 119.54 3he4 h LEU 38 Ca 0.53 -0.42 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 3he4 h LEU 38 Cb 0.65 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 3he4 h LEU 38 CO -0.31 1.01 0.26 0.00 -0.34 0.00 0.00 178.44 179.06 3he4 h ALA 39 N 0.77 1.02 -0.90 1.25 0.00 0.21 -3.01 119.26 118.60 3he4 h ALA 39 Ca 0.07 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.81 3he4 h ALA 39 Cb 0.74 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 3he4 h ALA 39 CO 0.06 0.67 0.59 0.00 0.00 0.00 0.00 179.25 180.56 3he4 h ALA 40 N 1.15 1.46 -0.11 0.00 0.00 -0.26 -2.07 119.26 119.42 3he4 h ALA 40 Ca 0.25 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.16 3he4 h ALA 40 Cb 0.28 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3he4 h ALA 40 CO -0.01 0.43 0.33 0.45 0.00 0.00 0.00 179.25 180.45 3he4 h HIS 41 N 1.09 0.00 -0.00 0.00 -0.00 -1.41 -1.09 115.15 113.74 3he4 h HIS 41 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.74 3he4 h HIS 41 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.50 3he4 h HIS 41 CO -0.00 0.00 -0.55 1.63 -0.00 0.00 0.00 177.93 179.00 3he4 n LYS 42 N -3.18 0.14 -3.90 2.45 5.02 -0.78 -4.93 118.16 112.98 3he4 n LYS 42 Ca 0.00 -0.09 -0.21 0.00 -2.02 0.00 0.00 58.31 55.99 3he4 n LYS 42 Cb 0.42 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.89 3he4 n LYS 42 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3he4 s PHE 43 N -2.92 2.94 0.00 2.13 0.40 -0.41 -5.18 117.98 114.94 3he4 s PHE 43 Ca 0.12 -0.26 0.00 0.00 -0.60 0.00 0.00 56.93 56.20 3he4 s PHE 43 Cb 0.17 -1.68 0.00 0.00 0.51 0.00 0.00 43.02 42.02 3he4 s PHE 43 CO 0.70 0.28 0.00 -0.85 0.70 0.00 0.00 175.22 176.05