#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bhc n PRO 2 N 0.00 0.29 -0.10 2.89 -0.02 -1.26 -4.90 135.00 131.89 1bhc n PRO 2 Ca 0.00 0.14 -0.03 0.00 -2.02 0.00 0.00 63.50 61.59 1bhc n PRO 2 Cb 0.00 -1.82 0.19 0.00 -0.02 0.00 0.00 33.50 31.85 1bhc n PRO 2 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1bhc h ASP 3 N -0.39 0.73 -0.00 2.55 5.19 -2.03 -2.64 116.42 119.83 1bhc h ASP 3 Ca -0.45 -0.15 0.00 0.00 -0.62 0.00 0.00 57.03 55.81 1bhc h ASP 3 Cb 1.35 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 40.67 1bhc h ASP 3 CO 0.42 0.76 0.03 2.19 -3.12 0.00 0.00 179.24 179.52 1bhc h PHE 4 N 0.74 0.00 0.00 4.55 -5.15 -1.97 -0.67 116.94 114.43 1bhc h PHE 4 Ca 0.16 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.93 1bhc h PHE 4 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.53 1bhc h PHE 4 CO 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.33 1bhc n LEU 6 N -1.70 0.63 -4.77 0.00 7.99 -0.26 -4.44 117.00 114.45 1bhc n LEU 6 Ca 0.02 -0.01 -0.35 0.00 -0.01 0.00 0.00 56.01 55.65 1bhc n LEU 6 Cb 0.11 -0.14 0.01 0.00 -0.11 0.00 0.00 43.42 43.28 1bhc n LEU 6 CO 0.10 0.06 0.79 -1.61 -1.51 0.00 0.00 177.39 175.22 1bhc s GLU 7 N -3.13 3.29 0.51 3.23 2.02 -0.57 -4.93 118.70 119.12 1bhc s GLU 7 Ca 0.06 1.63 -0.11 0.00 0.02 0.00 0.00 54.97 56.57 1bhc s GLU 7 Cb 0.15 -1.99 -0.05 0.00 0.10 0.00 0.00 34.13 32.33 1bhc s GLU 7 CO 0.77 -0.91 0.90 -1.25 0.02 0.00 0.00 175.26 174.79 1bhc s PRO 8 N -3.33 3.72 0.55 0.39 0.04 -1.26 -4.86 135.00 130.24 1bhc s PRO 8 Ca 0.73 0.60 -0.22 0.00 0.04 0.00 0.00 61.00 62.16 1bhc s PRO 8 Cb -0.24 -2.24 -0.05 0.00 0.04 0.00 0.00 34.50 32.01 1bhc s PRO 8 CO 0.28 -0.28 1.36 -1.25 0.04 0.00 0.00 177.00 177.15 1bhc s PRO 9 N -4.47 3.13 -0.20 0.56 0.04 -1.26 -4.96 135.00 127.83 1bhc s PRO 9 Ca 0.53 2.23 0.00 0.00 0.04 0.00 0.00 61.00 63.80 1bhc s PRO 9 Cb -0.10 -2.25 0.05 0.00 0.04 0.00 0.00 34.50 32.24 1bhc s PRO 9 CO 0.41 -1.20 -0.07 -0.47 0.04 0.00 0.00 177.00 175.71 1bhc s TYR 10 N -1.31 2.20 0.16 0.56 5.04 -1.26 -5.00 117.35 117.74 1bhc s TYR 10 Ca 0.72 -1.51 -0.06 0.00 -2.44 0.00 0.00 57.07 53.77 1bhc s TYR 10 Cb -0.40 -1.52 0.01 0.00 0.35 0.00 0.00 41.96 40.40 1bhc s TYR 10 CO 0.47 -0.72 1.44 1.15 -1.34 0.00 0.00 175.55 176.55 1bhc h THR 11 N 6.50 1.31 0.00 4.34 2.02 -1.96 -3.44 112.91 121.69 1bhc h THR 11 Ca -0.23 -1.86 0.00 0.00 0.77 0.00 0.00 66.41 65.09 1bhc h THR 11 Cb 1.09 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 1bhc h THR 11 CO 0.43 0.58 0.00 0.61 0.37 0.00 0.00 175.52 177.51 1bhc n GLY 12 N 0.39 -0.97 0.22 2.16 0.00 -1.26 0.07 105.19 105.80 1bhc n GLY 12 Ca -0.04 -1.65 0.15 0.00 0.00 0.00 0.00 46.02 44.48 1bhc n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bhc h PRO 13 N 0.00 0.00 -7.37 1.61 0.13 -1.92 -3.43 132.00 121.02 1bhc h PRO 13 Ca 0.00 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.65 1bhc h PRO 13 Cb 0.00 0.00 0.14 0.00 0.13 0.00 0.00 31.00 31.27 1bhc h PRO 13 CO 0.00 0.00 0.28 0.00 -0.23 0.00 0.00 178.00 178.05 1bhc n LYS 15 N -3.75 2.12 -1.70 0.00 -0.00 -1.21 -4.52 118.16 109.10 1bhc n LYS 15 Ca 0.07 -1.64 -0.30 0.00 -0.00 0.00 0.00 58.31 56.44 1bhc n LYS 15 Cb 0.56 -1.47 0.07 0.00 -0.00 0.00 0.00 35.03 34.20 1bhc n LYS 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1bhc s ALA 16 N -2.01 2.51 -0.54 0.58 0.00 0.25 -5.02 121.76 117.53 1bhc s ALA 16 Ca 0.30 -0.29 0.04 0.00 0.00 0.00 0.00 51.96 52.02 1bhc s ALA 16 Cb 0.20 -3.07 0.16 0.00 0.00 0.00 0.00 23.12 20.42 1bhc s ALA 16 CO 0.32 -1.51 0.39 1.03 0.00 0.00 0.00 175.76 175.99 1bhc s ARG 17 N -5.26 1.61 -0.00 0.00 0.52 -1.26 -3.94 118.95 110.62 1bhc s ARG 17 Ca 0.60 -2.61 0.02 0.00 -0.52 0.00 0.00 55.73 53.22 1bhc s ARG 17 Cb -0.13 -2.38 -0.03 0.00 0.52 0.00 0.00 34.95 32.92 1bhc s ARG 17 CO 0.53 -1.31 -0.04 0.42 0.02 0.00 0.00 175.30 174.91 1bhc s ILE 18 N -0.54 3.84 0.12 1.52 1.09 -0.77 -4.91 121.20 121.57 1bhc s ILE 18 Ca 0.27 -0.69 -0.24 0.00 -1.10 0.00 0.00 60.65 58.90 1bhc s ILE 18 Cb -0.04 -2.68 -0.07 0.00 -1.06 0.00 0.00 42.46 38.61 1bhc s ILE 18 CO -0.16 0.40 0.72 -0.63 -0.10 0.00 0.00 174.94 175.17 1bhc s ILE 19 N -1.02 4.52 0.18 2.92 1.01 -1.26 0.29 121.20 127.84 1bhc s ILE 19 Ca 0.18 1.56 -0.02 0.00 0.00 0.00 0.00 60.65 62.36 1bhc s ILE 19 Cb -0.11 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 1bhc s ILE 19 CO 0.08 0.51 0.13 -0.13 0.00 0.00 0.00 174.94 175.53 1bhc s ARG 20 N -0.96 1.12 0.12 2.79 1.81 -0.52 -4.89 118.95 118.41 1bhc s ARG 20 Ca 0.34 -1.52 0.07 0.00 -1.72 0.00 0.00 55.73 52.90 1bhc s ARG 20 Cb -0.22 0.28 -0.04 0.00 -0.45 0.00 0.00 34.95 34.52 1bhc s ARG 20 CO 0.24 -0.36 -0.07 0.71 -0.68 0.00 0.00 175.30 175.13 1bhc s TYR 21 N -4.10 2.78 0.03 -0.53 1.51 -0.21 -1.02 117.35 115.81 1bhc s TYR 21 Ca 0.32 -0.14 -0.04 0.00 -1.01 0.00 0.00 57.07 56.20 1bhc s TYR 21 Cb 0.06 -1.43 -0.01 0.00 -0.11 0.00 0.00 41.96 40.47 1bhc s TYR 21 CO 0.08 0.45 0.07 -0.59 -1.11 0.00 0.00 175.55 174.45 1bhc s PHE 22 N -1.32 0.20 -0.13 2.71 -0.71 -0.30 -0.73 117.98 117.69 1bhc s PHE 22 Ca 0.23 -0.46 -0.23 0.00 -1.04 0.00 0.00 56.93 55.43 1bhc s PHE 22 Cb -0.11 -0.15 -0.03 0.00 -1.21 0.00 0.00 43.02 41.53 1bhc s PHE 22 CO 0.15 -0.30 0.70 -0.47 -1.34 0.00 0.00 175.22 173.95 1bhc s TYR 23 N -2.11 3.48 -0.65 3.49 5.04 -1.26 -0.83 117.35 124.51 1bhc s TYR 23 Ca -0.09 1.14 -0.15 0.00 -2.44 0.00 0.00 57.07 55.53 1bhc s TYR 23 Cb -0.04 -2.84 0.16 0.00 0.35 0.00 0.00 41.96 39.59 1bhc s TYR 23 CO -0.03 -0.06 0.59 1.21 -1.34 0.00 0.00 175.55 175.93 1bhc s ASN 24 N 0.99 6.36 0.21 4.32 3.84 0.10 -4.80 114.94 125.97 1bhc s ASN 24 Ca 0.35 -2.15 -0.09 0.00 0.21 0.00 0.00 52.86 51.17 1bhc s ASN 24 Cb -0.17 -2.19 0.31 0.00 -0.55 0.00 0.00 41.25 38.65 1bhc s ASN 24 CO 0.14 -0.74 1.72 0.00 -2.79 0.00 0.00 177.10 175.43 1bhc h ALA 25 N 8.42 0.78 -0.84 1.71 0.00 -1.81 0.40 119.26 127.92 1bhc h ALA 25 Ca -0.14 0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1bhc h ALA 25 Cb 1.07 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.93 1bhc h ALA 25 CO 0.92 -0.26 0.50 0.87 0.00 0.00 0.00 179.25 181.27 1bhc h LYS 26 N 0.33 0.84 0.00 0.00 1.57 -1.94 -1.84 116.57 115.53 1bhc h LYS 26 Ca 0.33 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1bhc h LYS 26 Cb 0.47 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1bhc h LYS 26 CO -0.38 0.56 -0.75 0.00 -0.57 0.00 0.00 179.45 178.31 1bhc n ALA 27 N -2.37 3.18 -3.45 3.86 0.00 -0.92 -4.96 120.51 115.84 1bhc n ALA 27 Ca 0.13 -0.32 -0.19 0.00 0.00 0.00 0.00 53.44 53.06 1bhc n ALA 27 Cb 0.24 -1.09 0.08 0.00 0.00 0.00 0.00 19.45 18.67 1bhc n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bhc n GLY 28 N 1.37 -0.39 3.33 0.00 0.00 0.14 -4.99 105.19 104.64 1bhc n GLY 28 Ca 0.03 0.14 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 1bhc n GLY 28 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1bhc s LEU 29 N -6.55 0.28 0.01 0.99 1.98 -1.06 -5.00 118.68 109.32 1bhc s LEU 29 Ca 0.27 -0.25 -0.10 0.00 -2.89 0.00 0.00 54.13 51.17 1bhc s LEU 29 Cb -0.12 1.93 -0.05 0.00 0.66 0.00 0.00 46.19 48.61 1bhc s LEU 29 CO 0.69 -0.85 0.33 0.00 -1.89 0.00 0.00 176.35 174.63 1bhc s GLN 31 N -1.52 1.52 0.48 0.00 -0.21 -0.01 -4.91 119.66 115.01 1bhc s GLN 31 Ca 0.26 -1.85 -0.01 0.00 0.02 0.00 0.00 55.36 53.78 1bhc s GLN 31 Cb -0.14 0.01 0.00 0.00 1.00 0.00 0.00 33.01 33.88 1bhc s GLN 31 CO 0.14 -0.45 0.72 0.95 -2.12 0.00 0.00 175.29 174.54 1bhc s THR 32 N -3.71 3.87 0.03 -0.19 -4.23 -1.26 -1.15 115.64 108.99 1bhc s THR 32 Ca 0.37 -0.39 -0.27 0.00 -1.18 0.00 0.00 61.69 60.21 1bhc s THR 32 Cb 0.05 -3.45 0.09 0.00 1.34 0.00 0.00 72.50 70.53 1bhc s THR 32 CO 0.17 -0.35 0.77 0.72 -0.54 0.00 0.00 174.62 175.39 1bhc s PHE 33 N -2.66 -0.47 -0.30 3.99 -0.71 -0.18 -4.85 117.98 112.80 1bhc s PHE 33 Ca 0.50 0.46 -0.19 0.00 -1.04 0.00 0.00 56.93 56.65 1bhc s PHE 33 Cb -0.10 0.51 -0.01 0.00 -1.21 0.00 0.00 43.02 42.21 1bhc s PHE 33 CO 0.39 -0.64 0.59 0.08 -1.34 0.00 0.00 175.22 174.30 1bhc s VAL 34 N -2.78 4.98 -0.12 -2.49 1.01 -1.26 -1.45 120.40 118.30 1bhc s VAL 34 Ca 0.00 0.78 -0.10 0.00 0.00 0.00 0.00 61.98 62.66 1bhc s VAL 34 Cb -0.01 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 1bhc s VAL 34 CO -0.06 -0.10 0.22 -0.47 0.00 0.00 0.00 175.10 174.69 1bhc s TYR 35 N 2.51 3.56 -0.46 5.22 5.04 0.15 -4.39 117.35 128.98 1bhc s TYR 35 Ca 0.23 0.60 0.26 0.00 -2.44 0.00 0.00 57.07 55.72 1bhc s TYR 35 Cb -0.15 -2.13 0.85 0.00 0.35 0.00 0.00 41.96 40.88 1bhc s TYR 35 CO 0.11 0.54 1.76 0.78 -1.34 0.00 0.00 175.55 177.41 1bhc h GLY 36 N 5.55 0.00 0.00 8.97 0.00 -0.48 -2.04 103.07 115.07 1bhc h GLY 36 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1bhc h GLY 36 CO 0.65 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.80 1bhc n GLY 37 N 0.71 0.88 3.52 4.60 0.00 -1.26 -0.58 105.19 113.05 1bhc n GLY 37 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 1bhc n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bhc n ARG 39 N -0.39 -7.58 -1.81 0.00 3.00 -1.26 -4.48 116.66 104.14 1bhc n ARG 39 Ca -0.14 0.79 -0.35 0.00 -0.01 0.00 0.00 57.85 58.15 1bhc n ARG 39 Cb 0.63 -5.82 0.05 0.00 0.00 0.00 0.00 32.46 27.32 1bhc n ARG 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1bhc s ALA 40 N -3.32 2.41 0.52 7.54 0.00 -1.26 -4.79 121.76 122.86 1bhc s ALA 40 Ca 0.59 0.90 0.07 0.00 0.00 0.00 0.00 51.96 53.53 1bhc s ALA 40 Cb -0.27 -3.44 0.04 0.00 0.00 0.00 0.00 23.12 19.46 1bhc s ALA 40 CO 0.75 -1.39 0.52 0.15 0.00 0.00 0.00 175.76 175.79 1bhc s LYS 41 N -3.61 2.35 0.31 0.00 1.02 -1.26 -5.04 119.74 113.51 1bhc s LYS 41 Ca 0.75 -1.77 0.03 0.00 0.02 0.00 0.00 55.97 55.00 1bhc s LYS 41 Cb -0.29 -2.35 0.52 0.00 -0.52 0.00 0.00 37.83 35.20 1bhc s LYS 41 CO 0.38 -0.59 1.83 0.00 -0.92 0.00 0.00 175.35 176.05 1bhc h ARG 42 N 0.63 0.57 -3.88 1.68 2.47 -1.97 -3.30 114.38 110.58 1bhc h ARG 42 Ca -0.36 -0.14 -0.73 0.00 -1.26 0.00 0.00 59.98 57.49 1bhc h ARG 42 Cb 1.29 -0.08 -0.10 0.00 -1.65 0.00 0.00 29.97 29.43 1bhc h ARG 42 CO 0.52 0.62 2.51 -1.71 0.56 0.00 0.00 179.97 182.47 1bhc n ASN 43 N -4.25 4.54 -3.23 7.04 2.85 -1.26 -4.75 115.26 116.20 1bhc n ASN 43 Ca 0.02 -2.97 -0.01 0.00 -0.11 0.00 0.00 54.58 51.50 1bhc n ASN 43 Cb 0.27 -1.58 -0.04 0.00 1.24 0.00 0.00 39.78 39.68 1bhc n ASN 43 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1bhc s ASN 44 N 2.15 -0.74 -0.08 1.20 3.84 -1.24 -4.66 114.94 115.40 1bhc s ASN 44 Ca 0.44 0.48 0.04 0.00 0.21 0.00 0.00 52.86 54.02 1bhc s ASN 44 Cb 0.11 1.73 -0.01 0.00 -0.55 0.00 0.00 41.25 42.52 1bhc s ASN 44 CO -0.03 -0.29 -0.20 -0.36 -2.79 0.00 0.00 177.10 173.43 1bhc s PHE 45 N 2.73 2.59 0.20 0.43 0.08 0.09 -4.93 117.98 119.17 1bhc s PHE 45 Ca 0.16 -0.68 0.12 0.00 0.12 0.00 0.00 56.93 56.65 1bhc s PHE 45 Cb -0.14 -1.69 0.30 0.00 -0.57 0.00 0.00 43.02 40.92 1bhc s PHE 45 CO -0.21 -0.19 1.56 -0.22 -0.10 0.00 0.00 175.22 176.06 1bhc h LYS 46 N 6.24 0.00 -5.65 0.44 3.64 -1.92 -0.53 116.57 118.78 1bhc h LYS 46 Ca -0.30 0.00 -0.67 0.00 -1.27 0.00 0.00 60.65 58.41 1bhc h LYS 46 Cb 1.19 0.00 -0.28 0.00 -0.41 0.00 0.00 32.23 32.73 1bhc h LYS 46 CO 0.50 0.64 -0.81 0.45 -2.27 0.00 0.00 179.45 177.96 1bhc s SER 47 N -6.72 3.69 0.28 4.20 0.15 -1.26 -4.81 113.70 109.24 1bhc s SER 47 Ca -0.00 -0.37 -0.01 0.00 0.70 0.00 0.00 55.95 56.26 1bhc s SER 47 Cb 0.12 -1.29 0.41 0.00 -1.71 0.00 0.00 66.02 63.55 1bhc s SER 47 CO 0.76 0.21 1.86 0.00 1.20 0.00 0.00 173.24 177.27 1bhc h ALA 48 N 6.32 1.26 -0.48 5.45 0.00 -1.98 -1.96 119.26 127.87 1bhc h ALA 48 Ca -0.30 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.48 1bhc h ALA 48 Cb 1.20 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 1bhc h ALA 48 CO 0.52 0.54 0.25 1.49 0.00 0.00 0.00 179.25 182.05 1bhc h GLU 49 N 0.86 0.48 -0.61 0.00 4.81 -1.98 -1.22 114.58 116.92 1bhc h GLU 49 Ca 0.20 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.34 1bhc h GLU 49 Cb 0.20 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1bhc h GLU 49 CO -0.01 0.32 0.14 -0.44 -0.73 0.00 0.00 179.01 178.29 1bhc h ASP 50 N 0.50 0.90 0.54 1.04 3.32 -1.83 -2.40 116.42 118.50 1bhc h ASP 50 Ca 0.21 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1bhc h ASP 50 Cb 0.10 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1bhc h ASP 50 CO -0.14 0.88 -0.35 0.00 -1.72 0.00 0.00 179.24 177.92 1bhc h MET 52 N -0.85 0.00 0.20 0.00 2.86 -1.26 0.15 114.93 116.03 1bhc h MET 52 Ca -0.06 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.26 1bhc h MET 52 Cb 0.70 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.39 1bhc h MET 52 CO 0.06 0.13 -1.38 -0.09 1.06 0.00 0.00 176.91 176.68 1bhc h ARG 53 N 0.00 0.56 -0.05 1.72 2.43 -1.26 0.21 114.38 117.99 1bhc h ARG 53 Ca -0.00 -0.87 -0.16 0.00 -0.81 0.00 0.00 59.98 58.13 1bhc h ARG 53 Cb 0.28 0.31 0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1bhc h ARG 53 CO 0.02 1.41 -0.61 1.15 -1.51 0.00 0.00 179.97 180.43 1bhc h THR 54 N 0.19 1.38 0.00 0.20 2.02 -0.90 -3.39 112.91 112.42 1bhc h THR 54 Ca -0.23 -1.98 -0.05 0.00 0.77 0.00 0.00 66.41 64.93 1bhc h THR 54 Cb 2.07 2.37 -0.01 0.00 -1.74 0.00 0.00 68.15 70.84 1bhc h THR 54 CO 0.26 0.59 -1.72 0.00 0.37 0.00 0.00 175.52 175.02