#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ohh n GLY 5 N 0.00 -2.62 2.54 5.00 0.00 -1.26 -3.31 105.19 105.54 1ohh n GLY 5 Ca 0.00 0.91 -0.23 0.00 0.00 0.00 0.00 46.02 46.69 1ohh n GLY 5 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ohh n ASP 6 N -4.34 2.64 0.21 1.61 5.75 -1.26 -4.88 116.55 116.28 1ohh n ASP 6 Ca 0.01 -3.32 0.05 0.00 -0.01 0.00 0.00 54.79 51.53 1ohh n ASP 6 Cb 0.15 -0.60 0.47 0.00 -1.03 0.00 0.00 41.12 40.11 1ohh n ASP 6 CO 0.00 0.00 0.00 0.78 -0.11 0.00 0.00 177.20 177.87 1ohh h ASN 7 N 3.17 0.00 -0.98 -1.12 2.35 -1.98 -3.10 115.58 113.91 1ohh h ASN 7 Ca 0.12 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.94 1ohh h ASN 7 Cb 0.73 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.03 1ohh h ASN 7 CO 0.67 0.27 0.63 0.58 -1.65 0.00 0.00 177.43 177.93 1ohh h VAL 8 N 0.00 1.05 0.00 2.81 2.07 -1.89 -2.03 116.25 118.26 1ohh h VAL 8 Ca -0.00 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1ohh h VAL 8 Cb 0.53 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1ohh h VAL 8 CO 0.04 0.20 -0.28 -1.14 0.02 0.00 0.00 177.57 176.41 1ohh n ARG 9 N -4.54 0.17 0.00 1.57 3.00 -1.17 -3.90 116.66 111.78 1ohh n ARG 9 Ca 0.16 0.09 0.00 0.00 -0.00 0.00 0.00 57.85 58.09 1ohh n ARG 9 Cb 0.21 -1.65 0.00 0.00 0.00 0.00 0.00 32.46 31.03 1ohh n ARG 9 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1ohh n SER 10 N -1.91 0.45 0.00 6.15 7.64 -0.76 -4.71 113.62 120.49 1ohh n SER 10 Ca 0.05 -1.39 0.00 0.00 1.01 0.00 0.00 58.87 58.54 1ohh n SER 10 Cb 0.40 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 1ohh n SER 10 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ohh n SER 11 N -0.08 0.00 0.00 6.43 7.64 -1.25 -5.09 113.62 121.27 1ohh n SER 11 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ohh n SER 11 Cb 0.11 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 1ohh n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ohh n ALA 12 N -3.00 0.57 0.00 -0.43 0.00 -1.26 -4.76 120.51 111.63 1ohh n ALA 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ohh n ALA 12 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ohh n ALA 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ohh n GLY 13 N 0.28 0.00 0.13 0.00 0.00 -1.26 0.47 105.19 104.81 1ohh n GLY 13 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1ohh n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ohh h ALA 14 N 0.00 0.36 -0.11 4.61 0.00 -1.95 -3.35 119.26 118.82 1ohh h ALA 14 Ca 0.00 -0.76 0.02 0.00 0.00 0.00 0.00 54.91 54.17 1ohh h ALA 14 Cb 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1ohh h ALA 14 CO 0.00 0.90 -0.24 0.28 0.00 0.00 0.00 179.25 180.19 1ohh h VAL 15 N 0.14 0.00 -1.33 0.00 2.07 1.03 0.32 116.25 118.49 1ohh h VAL 15 Ca -0.08 0.00 0.42 0.00 0.82 0.00 0.00 66.70 67.86 1ohh h VAL 15 Cb 1.64 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 31.30 1ohh h VAL 15 CO 0.16 0.00 0.88 0.03 0.02 0.00 0.00 177.57 178.66 1ohh h ARG 16 N -0.22 0.11 0.32 1.57 3.08 -1.19 0.94 114.38 118.99 1ohh h ARG 16 Ca 0.02 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1ohh h ARG 16 Cb 0.28 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1ohh h ARG 16 CO -0.22 0.07 -0.16 0.22 -1.07 0.00 0.00 179.97 178.82 1ohh h ASP 17 N 0.11 -0.37 -0.40 7.04 1.82 -0.97 0.51 116.42 124.17 1ohh h ASP 17 Ca 0.78 -0.16 0.12 0.00 -0.39 0.00 0.00 57.03 57.38 1ohh h ASP 17 Cb 2.51 0.09 -0.02 0.00 0.68 0.00 0.00 39.33 42.60 1ohh h ASP 17 CO -0.34 0.09 0.31 0.00 -1.61 0.00 0.00 179.24 177.69 1ohh h ALA 18 N -0.67 2.32 0.02 -0.78 0.00 0.31 0.44 119.26 120.92 1ohh h ALA 18 Ca -0.04 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 1ohh h ALA 18 Cb 0.50 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.34 1ohh h ALA 18 CO 0.07 -0.51 -0.78 0.78 0.00 0.00 0.00 179.25 178.81 1ohh h GLY 19 N 0.00 0.54 0.00 0.00 0.00 0.77 -3.09 103.07 101.28 1ohh h GLY 19 Ca 0.19 -0.99 0.00 0.00 0.00 0.00 0.00 47.33 46.53 1ohh h GLY 19 CO -0.00 0.88 0.00 0.61 0.00 0.00 0.00 176.54 178.03 1ohh n GLY 20 N 1.16 -2.68 0.06 4.60 0.00 0.18 -0.73 105.19 107.78 1ohh n GLY 20 Ca -0.11 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.92 1ohh n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ohh n ALA 21 N -0.97 0.26 -0.07 4.61 0.00 0.55 -0.15 120.51 124.74 1ohh n ALA 21 Ca 0.00 0.02 -0.07 0.00 0.00 0.00 0.00 53.44 53.39 1ohh n ALA 21 Cb 0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 19.45 19.13 1ohh n ALA 21 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1ohh h PHE 22 N 0.00 0.00 -0.59 0.00 3.57 -1.38 -3.29 116.94 115.26 1ohh h PHE 22 Ca 0.00 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 1ohh h PHE 22 Cb 0.89 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.60 1ohh h PHE 22 CO 0.00 0.34 0.01 0.78 -2.23 0.00 0.00 178.31 177.20 1ohh h GLY 23 N -1.00 1.12 0.99 2.40 0.00 0.17 -2.84 103.07 103.90 1ohh h GLY 23 Ca -0.05 -0.82 -0.02 0.00 0.00 0.00 0.00 47.33 46.44 1ohh h GLY 23 CO -0.03 0.75 -0.21 1.70 0.00 0.00 0.00 176.54 178.75 1ohh h LYS 24 N 0.93 -0.57 0.16 4.80 3.64 -1.53 -0.29 116.57 123.72 1ohh h LYS 24 Ca 0.17 0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1ohh h LYS 24 Cb 0.55 0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.45 1ohh h LYS 24 CO 0.03 -0.37 -0.48 -0.09 -2.27 0.00 0.00 179.45 176.27 1ohh h ARG 25 N -0.61 -0.71 0.00 1.90 1.12 -1.62 0.70 114.38 115.15 1ohh h ARG 25 Ca -0.06 0.05 -0.01 0.00 -1.11 0.00 0.00 59.98 58.85 1ohh h ARG 25 Cb 0.46 0.16 -0.00 0.00 -0.01 0.00 0.00 29.97 30.59 1ohh h ARG 25 CO 0.10 -0.48 -0.03 0.93 -3.11 0.00 0.00 179.97 177.38 1ohh h GLU 26 N -0.74 0.00 0.32 0.20 4.39 -1.53 0.38 114.58 117.60 1ohh h GLU 26 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1ohh h GLU 26 Cb 0.74 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 1ohh h GLU 26 CO -0.25 0.03 -0.16 0.37 -1.16 0.00 0.00 179.01 177.85 1ohh h GLN 27 N 0.00 -0.42 -0.55 2.33 4.15 0.68 -0.74 115.11 120.55 1ohh h GLN 27 Ca -0.00 0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.42 1ohh h GLN 27 Cb 0.09 0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.85 1ohh h GLN 27 CO 0.00 -0.09 0.25 0.00 -1.93 0.00 0.00 178.83 177.06 1ohh h ALA 28 N -0.53 0.72 0.16 3.38 0.00 -0.57 -2.51 119.26 119.91 1ohh h ALA 28 Ca -0.04 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1ohh h ALA 28 Cb 0.52 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1ohh h ALA 28 CO 0.07 0.30 -0.15 0.93 0.00 0.00 0.00 179.25 180.40 1ohh h GLU 29 N 0.75 -0.33 -0.91 0.00 4.39 -0.99 0.45 114.58 117.94 1ohh h GLU 29 Ca 0.19 0.02 0.11 0.00 0.34 0.00 0.00 59.36 60.02 1ohh h GLU 29 Cb 0.15 0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 28.80 1ohh h GLU 29 CO -0.02 -0.22 0.59 0.93 -1.16 0.00 0.00 179.01 179.13 1ohh h GLU 30 N -0.34 0.86 0.00 2.33 5.08 -1.01 0.88 114.58 122.38 1ohh h GLU 30 Ca 0.00 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 1ohh h GLU 30 Cb 0.32 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1ohh h GLU 30 CO -0.03 0.57 -0.55 0.93 -1.00 0.00 0.00 179.01 178.93 1ohh h GLU 31 N 0.89 0.00 -0.32 2.33 5.08 -1.09 1.23 114.58 122.70 1ohh h GLU 31 Ca 0.43 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.78 1ohh h GLU 31 Cb 0.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1ohh h GLU 31 CO -0.19 0.55 0.14 -0.09 -1.00 0.00 0.00 179.01 178.42 1ohh h ARG 32 N 0.00 0.47 0.00 2.33 2.43 0.22 -1.06 114.38 118.77 1ohh h ARG 32 Ca -0.01 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 1ohh h ARG 32 Cb 1.07 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.54 1ohh h ARG 32 CO 0.07 0.46 -0.13 1.88 -1.51 0.00 0.00 179.97 180.74 1ohh h TYR 33 N 0.37 0.00 0.99 2.20 -1.99 0.99 -3.35 116.97 116.18 1ohh h TYR 33 Ca 0.11 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.79 1ohh h TYR 33 Cb 0.15 0.00 0.01 0.00 2.00 0.00 0.00 36.73 38.89 1ohh h TYR 33 CO -0.01 0.13 -0.47 0.74 -0.00 0.00 0.00 178.16 178.54 1ohh h PHE 34 N 0.00 -1.23 0.00 4.88 0.05 0.29 -2.19 116.94 118.74 1ohh h PHE 34 Ca -0.00 -0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.75 1ohh h PHE 34 Cb 1.06 0.41 -0.00 0.00 2.00 0.00 0.00 35.95 39.41 1ohh h PHE 34 CO 0.00 -0.76 -0.06 -0.09 -0.18 0.00 0.00 178.31 177.22 1ohh h ARG 35 N -1.34 0.00 0.00 1.51 2.43 -1.65 0.78 114.38 116.11 1ohh h ARG 35 Ca -0.14 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.00 1ohh h ARG 35 Cb 1.01 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.56 1ohh h ARG 35 CO 0.22 0.06 -0.16 0.00 -1.51 0.00 0.00 179.97 178.58 1ohh h ALA 36 N 1.94 1.24 -0.27 2.80 0.00 -1.61 0.22 119.26 123.58 1ohh h ALA 36 Ca -0.00 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 1ohh h ALA 36 Cb 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1ohh h ALA 36 CO 0.01 0.20 -0.41 -0.09 0.00 0.00 0.00 179.25 178.96 1ohh h ARG 37 N 0.00 0.66 0.34 0.00 9.65 -0.22 -2.97 114.38 121.85 1ohh h ARG 37 Ca -0.00 -0.35 -0.01 0.00 -1.10 0.00 0.00 59.98 58.53 1ohh h ARG 37 Cb 0.44 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.02 1ohh h ARG 37 CO 0.02 0.95 -0.27 0.00 2.80 0.00 0.00 179.97 183.47 1ohh h ALA 38 N 1.00 -0.62 0.01 2.80 0.00 -0.54 -3.13 119.26 118.78 1ohh h ALA 38 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ohh h ALA 38 Cb 0.94 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1ohh h ALA 38 CO 0.09 -0.87 -0.13 0.87 0.00 0.00 0.00 179.25 179.20 1ohh h LYS 39 N -0.62 -0.16 -0.89 0.00 1.57 -1.42 0.33 116.57 115.38 1ohh h LYS 39 Ca -0.03 0.01 0.19 0.00 -1.87 0.00 0.00 60.65 58.96 1ohh h LYS 39 Cb 0.54 0.04 -0.17 0.00 0.08 0.00 0.00 32.23 32.73 1ohh h LYS 39 CO -0.01 -0.11 -0.15 1.49 -0.57 0.00 0.00 179.45 180.10 1ohh h GLU 40 N -0.17 0.01 -0.01 3.15 4.81 -1.63 2.87 114.58 123.62 1ohh h GLU 40 Ca 0.00 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1ohh h GLU 40 Cb 0.17 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1ohh h GLU 40 CO -0.08 0.01 -0.02 1.96 -0.73 0.00 0.00 179.01 180.14 1ohh h GLN 41 N 0.01 0.04 -0.09 1.92 1.08 -1.43 -0.59 115.11 116.04 1ohh h GLN 41 Ca 0.45 -0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.66 1ohh h GLN 41 Cb 0.75 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.14 1ohh h GLN 41 CO -0.88 0.60 -0.12 1.25 -0.95 0.00 0.00 178.83 178.73 1ohh h LEU 42 N -0.53 -0.36 -0.95 1.46 5.85 0.10 0.22 115.31 121.10 1ohh h LEU 42 Ca 0.00 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.84 1ohh h LEU 42 Cb 0.60 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.74 1ohh h LEU 42 CO 0.01 -0.16 0.61 0.00 -0.34 0.00 0.00 178.44 178.56 1ohh h ALA 43 N 0.89 1.30 0.04 1.25 0.00 0.50 -0.48 119.26 122.77 1ohh h ALA 43 Ca 0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ohh h ALA 43 Cb 0.26 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1ohh h ALA 43 CO -0.19 0.43 -0.02 0.00 0.00 0.00 0.00 179.25 179.47 1ohh h ALA 44 N 1.42 -0.06 -0.03 0.00 0.00 -0.10 0.38 119.26 120.87 1ohh h ALA 44 Ca 0.40 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.23 1ohh h ALA 44 Cb 0.10 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1ohh h ALA 44 CO -0.15 -0.43 -0.43 -0.07 0.00 0.00 0.00 179.25 178.17 1ohh h LEU 45 N -0.26 -1.30 0.16 0.00 3.38 -0.13 -3.01 115.31 114.14 1ohh h LEU 45 Ca -0.01 0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1ohh h LEU 45 Cb 0.23 0.51 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1ohh h LEU 45 CO 0.01 -0.45 -0.18 0.50 0.09 0.00 0.00 178.44 178.41 1ohh h LYS 46 N -0.56 -0.33 0.00 1.13 1.63 -1.01 -3.51 116.57 113.91 1ohh h LYS 46 Ca 0.05 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1ohh h LYS 46 Cb 0.65 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.36 1ohh h LYS 46 CO -0.34 -0.22 0.00 1.17 -3.45 0.00 0.00 179.45 176.61