#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 0.34 0.16 2.89 -0.02 -1.26 -4.90 135.00 132.21 1bhc n PRO 2 Ca 0.00 0.15 0.01 0.00 -2.02 0.00 0.00 63.50 61.64 1bhc n PRO 2 Cb 0.00 -1.82 0.31 0.00 -0.02 0.00 0.00 33.50 31.97 1bhc n PRO 2 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1bhc h ASP 3 N -0.28 0.05 0.10 2.55 3.58 -2.03 -2.84 116.42 117.55 1bhc h ASP 3 Ca -0.46 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 56.98 1bhc h ASP 3 Cb 1.36 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 42.39 1bhc h ASP 3 CO 0.43 0.45 -0.00 2.19 -2.88 0.00 0.00 179.24 179.43 1bhc h PHE 4 N 0.04 0.00 0.00 0.28 -5.15 -1.98 -0.82 116.94 109.30 1bhc h PHE 4 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1bhc h PHE 4 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.92 1bhc h PHE 4 CO 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.32 1bhc n LEU 6 N -1.35 0.68 -4.77 0.00 7.99 -0.31 -4.42 117.00 114.82 1bhc n LEU 6 Ca 0.03 -0.26 -0.37 0.00 -0.01 0.00 0.00 56.01 55.41 1bhc n LEU 6 Cb 0.07 -0.04 0.00 0.00 -0.11 0.00 0.00 43.42 43.35 1bhc n LEU 6 CO 0.06 0.15 0.85 -1.61 -1.51 0.00 0.00 177.39 175.33 1bhc s GLU 7 N -3.15 3.53 0.63 3.23 2.02 -0.24 -4.92 118.70 119.82 1bhc s GLU 7 Ca 0.04 1.83 -0.10 0.00 0.02 0.00 0.00 54.97 56.76 1bhc s GLU 7 Cb 0.15 -2.28 -0.01 0.00 0.10 0.00 0.00 34.13 32.09 1bhc s GLU 7 CO 0.85 -0.75 1.02 -1.25 0.02 0.00 0.00 175.26 175.14 1bhc s PRO 8 N -2.87 3.25 0.43 0.39 0.04 -1.26 -4.87 135.00 130.11 1bhc s PRO 8 Ca 0.67 0.51 -0.25 0.00 0.04 0.00 0.00 61.00 61.97 1bhc s PRO 8 Cb -0.30 -2.11 -0.08 0.00 0.04 0.00 0.00 34.50 32.05 1bhc s PRO 8 CO 0.35 -0.72 1.33 -1.25 0.04 0.00 0.00 177.00 176.76 1bhc s PRO 9 N -5.18 3.82 -0.23 0.56 0.04 -1.26 -4.94 135.00 127.80 1bhc s PRO 9 Ca 0.55 2.21 0.02 0.00 0.04 0.00 0.00 61.00 63.82 1bhc s PRO 9 Cb -0.11 -2.67 0.05 0.00 0.04 0.00 0.00 34.50 31.81 1bhc s PRO 9 CO 0.51 -0.63 -0.11 -0.47 0.04 0.00 0.00 177.00 176.34 1bhc s TYR 10 N -1.27 2.84 0.19 0.56 5.04 -1.26 -4.99 117.35 118.45 1bhc s TYR 10 Ca 0.59 -1.96 -0.04 0.00 -2.44 0.00 0.00 57.07 53.22 1bhc s TYR 10 Cb -0.39 -1.79 0.11 0.00 0.35 0.00 0.00 41.96 40.24 1bhc s TYR 10 CO 0.50 -0.82 1.51 1.15 -1.34 0.00 0.00 175.55 176.55 1bhc h THR 11 N 6.57 1.31 0.00 4.34 2.02 -1.95 -3.43 112.91 121.77 1bhc h THR 11 Ca -0.24 -1.73 0.00 0.00 0.77 0.00 0.00 66.41 65.21 1bhc h THR 11 Cb 1.07 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.17 1bhc h THR 11 CO 0.47 0.54 0.00 0.61 0.37 0.00 0.00 175.52 177.52 1bhc n GLY 12 N 0.20 -1.13 0.26 2.16 0.00 -1.26 -0.53 105.19 104.89 1bhc n GLY 12 Ca -0.03 -1.62 0.16 0.00 0.00 0.00 0.00 46.02 44.53 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 -7.30 1.61 0.13 -1.92 -3.43 132.00 121.09 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 0.16 0.00 0.13 0.00 0.00 31.00 31.29 1bhc h PRO 13 CO 0.00 0.03 0.22 0.00 -0.23 0.00 0.00 178.00 178.02 1bhc n LYS 15 N -4.06 1.35 -1.30 0.00 -0.00 -1.20 -4.52 118.16 108.42 1bhc n LYS 15 Ca 0.07 -1.06 -0.29 0.00 -0.00 0.00 0.00 58.31 57.02 1bhc n LYS 15 Cb 0.55 -1.48 0.14 0.00 -0.00 0.00 0.00 35.03 34.24 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 -2.39 1.48 -0.51 0.58 0.00 -0.23 -5.01 121.76 115.67 1bhc s ALA 16 Ca 0.22 -0.26 0.06 0.00 0.00 0.00 0.00 51.96 51.97 1bhc s ALA 16 Cb 0.19 -3.13 0.21 0.00 0.00 0.00 0.00 23.12 20.39 1bhc s ALA 16 CO 0.51 -2.42 0.51 0.54 0.00 0.00 0.00 175.76 174.90 1bhc n ARG 17 N -3.90 1.14 -3.96 0.00 1.74 -1.26 -4.08 116.66 106.34 1bhc n ARG 17 Ca 0.06 -3.75 -0.36 0.00 -0.77 0.00 0.00 57.85 53.03 1bhc n ARG 17 Cb 0.57 -1.78 -0.06 0.00 -1.02 0.00 0.00 32.46 30.17 1bhc n ARG 17 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1bhc s ILE 18 N -1.12 5.29 0.08 0.55 1.09 -0.50 -4.88 121.20 121.70 1bhc s ILE 18 Ca 0.33 0.05 -0.25 0.00 -1.10 0.00 0.00 60.65 59.67 1bhc s ILE 18 Cb 0.08 -3.33 -0.06 0.00 -1.06 0.00 0.00 42.46 38.09 1bhc s ILE 18 CO -0.13 0.55 0.78 -0.63 -0.10 0.00 0.00 174.94 175.41 1bhc s ILE 19 N -1.07 4.62 0.16 2.92 1.01 -1.26 0.94 121.20 128.51 1bhc s ILE 19 Ca 0.17 1.69 -0.02 0.00 0.00 0.00 0.00 60.65 62.49 1bhc s ILE 19 Cb -0.12 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 1bhc s ILE 19 CO 0.07 0.40 0.10 -0.13 0.00 0.00 0.00 174.94 175.38 1bhc s ARG 20 N -0.32 1.03 0.15 2.79 1.81 -0.49 -4.89 118.95 119.03 1bhc s ARG 20 Ca 0.39 -1.48 0.06 0.00 -1.72 0.00 0.00 55.73 52.98 1bhc s ARG 20 Cb -0.21 0.26 -0.04 0.00 -0.45 0.00 0.00 34.95 34.51 1bhc s ARG 20 CO 0.24 -0.32 0.02 0.71 -0.68 0.00 0.00 175.30 175.27 1bhc s TYR 21 N -4.08 2.93 0.00 -0.53 1.51 -0.04 -1.15 117.35 115.99 1bhc s TYR 21 Ca 0.28 -0.09 -0.10 0.00 -1.01 0.00 0.00 57.07 56.15 1bhc s TYR 21 Cb 0.07 -1.44 0.01 0.00 -0.11 0.00 0.00 41.96 40.48 1bhc s TYR 21 CO 0.05 0.50 0.20 -0.59 -1.11 0.00 0.00 175.55 174.60 1bhc s PHE 22 N -1.60 -0.03 -0.20 2.71 -0.71 -0.31 -0.73 117.98 117.11 1bhc s PHE 22 Ca 0.27 -0.01 -0.23 0.00 -1.04 0.00 0.00 56.93 55.92 1bhc s PHE 22 Cb -0.10 0.00 -0.02 0.00 -1.21 0.00 0.00 43.02 41.70 1bhc s PHE 22 CO 0.19 -0.34 0.75 -0.47 -1.34 0.00 0.00 175.22 174.01 1bhc s TYR 23 N -1.48 3.37 -0.67 3.49 5.04 -1.26 -0.76 117.35 125.08 1bhc s TYR 23 Ca -0.14 1.09 -0.17 0.00 -2.44 0.00 0.00 57.07 55.41 1bhc s TYR 23 Cb -0.06 -2.94 0.14 0.00 0.35 0.00 0.00 41.96 39.45 1bhc s TYR 23 CO 0.02 -0.26 0.70 1.21 -1.34 0.00 0.00 175.55 175.87 1bhc s ASN 24 N 1.24 6.38 0.25 4.32 3.84 0.34 -4.77 114.94 126.53 1bhc s ASN 24 Ca 0.33 -1.92 -0.03 0.00 0.21 0.00 0.00 52.86 51.45 1bhc s ASN 24 Cb -0.16 -2.26 0.46 0.00 -0.55 0.00 0.00 41.25 38.74 1bhc s ASN 24 CO 0.10 -0.90 1.77 0.00 -2.79 0.00 0.00 177.10 175.28 1bhc h ALA 25 N 8.71 1.18 -0.75 1.71 0.00 -1.82 0.86 119.26 129.14 1bhc h ALA 25 Ca -0.15 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1bhc h ALA 25 Cb 1.07 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1bhc h ALA 25 CO 0.99 -0.06 0.50 0.87 0.00 0.00 0.00 179.25 181.55 1bhc h LYS 26 N 0.62 0.98 0.00 0.00 6.56 -1.94 -2.15 116.57 120.64 1bhc h LYS 26 Ca 0.42 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.96 1bhc h LYS 26 Cb 0.55 -0.22 0.00 0.00 -0.57 0.00 0.00 32.23 31.99 1bhc h LYS 26 CO -0.33 0.65 -1.17 0.00 -2.06 0.00 0.00 179.45 176.54 1bhc n ALA 27 N -2.42 2.68 -3.24 3.86 0.00 -0.65 -4.97 120.51 115.77 1bhc n ALA 27 Ca 0.08 -0.30 -0.16 0.00 0.00 0.00 0.00 53.44 53.06 1bhc n ALA 27 Cb 0.04 -1.03 0.07 0.00 0.00 0.00 0.00 19.45 18.53 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 1.22 -0.22 3.39 0.00 0.00 0.29 -5.01 105.19 104.86 1bhc n GLY 28 Ca -0.00 0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 -5.71 -0.00 0.14 0.99 1.98 -1.09 -5.00 118.68 109.98 1bhc s LEU 29 Ca 0.19 0.23 -0.17 0.00 -2.89 0.00 0.00 54.13 51.50 1bhc s LEU 29 Cb -0.09 2.05 -0.07 0.00 0.66 0.00 0.00 46.19 48.74 1bhc s LEU 29 CO 0.58 -0.66 0.59 0.00 -1.89 0.00 0.00 176.35 174.97 1bhc s GLN 31 N -1.71 1.65 0.31 0.00 -0.21 0.07 -4.90 119.66 114.86 1bhc s GLN 31 Ca 0.36 -1.95 0.04 0.00 0.02 0.00 0.00 55.36 53.83 1bhc s GLN 31 Cb -0.17 -0.08 -0.02 0.00 1.00 0.00 0.00 33.01 33.74 1bhc s GLN 31 CO 0.19 -0.49 0.46 0.95 -2.12 0.00 0.00 175.29 174.29 1bhc s THR 32 N -3.55 4.87 0.15 -0.19 -4.23 -1.26 -1.17 115.64 110.26 1bhc s THR 32 Ca 0.35 -0.81 -0.23 0.00 -1.18 0.00 0.00 61.69 59.82 1bhc s THR 32 Cb 0.04 -3.74 0.07 0.00 1.34 0.00 0.00 72.50 70.22 1bhc s THR 32 CO 0.19 -0.35 0.60 0.72 -0.54 0.00 0.00 174.62 175.23 1bhc s PHE 33 N -2.16 -0.53 -0.24 3.99 -0.71 -0.30 -4.90 117.98 113.13 1bhc s PHE 33 Ca 0.39 0.36 -0.18 0.00 -1.04 0.00 0.00 56.93 56.46 1bhc s PHE 33 Cb -0.09 0.54 -0.03 0.00 -1.21 0.00 0.00 43.02 42.23 1bhc s PHE 33 CO 0.32 -0.83 0.51 0.08 -1.34 0.00 0.00 175.22 173.96 1bhc s VAL 34 N -3.61 5.09 -0.13 -2.49 1.01 -1.26 -1.39 120.40 117.61 1bhc s VAL 34 Ca 0.00 0.88 -0.09 0.00 0.00 0.00 0.00 61.98 62.78 1bhc s VAL 34 Cb -0.01 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1bhc s VAL 34 CO -0.12 0.12 0.17 -0.47 0.00 0.00 0.00 175.10 174.80 1bhc s TYR 35 N 2.09 3.55 -0.71 5.22 5.04 0.27 -4.44 117.35 128.36 1bhc s TYR 35 Ca 0.22 0.52 0.25 0.00 -2.44 0.00 0.00 57.07 55.62 1bhc s TYR 35 Cb -0.16 -2.04 0.89 0.00 0.35 0.00 0.00 41.96 41.00 1bhc s TYR 35 CO 0.09 0.59 1.77 0.41 -1.34 0.00 0.00 175.55 177.07 1bhc n GLY 36 N 2.43 -1.57 0.00 8.97 0.00 0.31 -1.41 105.19 113.92 1bhc n GLY 36 Ca -0.18 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1bhc n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bhc n GLY 37 N 0.99 0.77 3.38 -0.02 0.00 -1.26 -1.07 105.19 107.98 1bhc n GLY 37 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.31 -7.14 -2.12 0.00 3.00 -1.26 -4.43 116.66 104.40 1bhc n ARG 39 Ca -0.16 0.84 -0.34 0.00 -0.01 0.00 0.00 57.85 58.18 1bhc n ARG 39 Cb 0.64 -5.87 0.01 0.00 0.00 0.00 0.00 32.46 27.24 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 -3.35 2.65 0.47 7.54 0.00 -1.26 -4.75 121.76 123.06 1bhc s ALA 40 Ca 0.22 0.71 0.07 0.00 0.00 0.00 0.00 51.96 52.97 1bhc s ALA 40 Cb -0.10 -3.33 0.01 0.00 0.00 0.00 0.00 23.12 19.70 1bhc s ALA 40 CO 0.73 -0.89 0.47 0.15 0.00 0.00 0.00 175.76 176.23 1bhc s LYS 41 N -3.56 2.45 0.32 0.00 1.02 -1.26 -5.04 119.74 113.67 1bhc s LYS 41 Ca 0.70 -1.65 0.02 0.00 0.02 0.00 0.00 55.97 55.07 1bhc s LYS 41 Cb -0.22 -2.39 0.53 0.00 -0.52 0.00 0.00 37.83 35.24 1bhc s LYS 41 CO 0.31 -0.42 1.87 0.00 -0.92 0.00 0.00 175.35 176.20 1bhc h ARG 42 N 0.78 0.67 -3.67 1.68 2.47 -1.97 -3.26 114.38 111.08 1bhc h ARG 42 Ca -0.38 -0.13 -0.70 0.00 -1.26 0.00 0.00 59.98 57.51 1bhc h ARG 42 Cb 1.28 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 29.46 1bhc h ARG 42 CO 0.53 0.62 3.24 -1.71 0.56 0.00 0.00 179.97 183.22 1bhc n ASN 43 N -4.30 5.35 -3.28 7.04 5.15 -1.26 -4.71 115.26 119.25 1bhc n ASN 43 Ca 0.03 -2.79 -0.05 0.00 -0.60 0.00 0.00 54.58 51.17 1bhc n ASN 43 Cb 0.21 -1.61 -0.06 0.00 -0.53 0.00 0.00 39.78 37.79 1bhc n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1bhc s ASN 44 N 2.71 -0.28 -0.10 1.20 3.84 -1.23 -4.60 114.94 116.46 1bhc s ASN 44 Ca 0.53 0.39 0.03 0.00 0.21 0.00 0.00 52.86 54.02 1bhc s ASN 44 Cb 0.15 1.45 -0.01 0.00 -0.55 0.00 0.00 41.25 42.29 1bhc s ASN 44 CO -0.08 -0.29 -0.20 -0.36 -2.79 0.00 0.00 177.10 173.38 1bhc s PHE 45 N 2.65 2.64 0.25 0.43 0.40 0.09 -4.94 117.98 119.50 1bhc s PHE 45 Ca 0.15 -0.83 0.13 0.00 -0.60 0.00 0.00 56.93 55.78 1bhc s PHE 45 Cb -0.15 -1.74 0.47 0.00 0.51 0.00 0.00 43.02 42.11 1bhc s PHE 45 CO -0.18 -0.29 1.66 -0.22 0.70 0.00 0.00 175.22 176.88 1bhc h LYS 46 N 6.56 0.00 -5.29 0.44 3.64 -1.92 -0.08 116.57 119.92 1bhc h LYS 46 Ca -0.24 0.00 -0.66 0.00 -1.27 0.00 0.00 60.65 58.48 1bhc h LYS 46 Cb 1.22 0.00 -0.29 0.00 -0.41 0.00 0.00 32.23 32.75 1bhc h LYS 46 CO 0.50 0.54 -0.80 0.45 -2.27 0.00 0.00 179.45 177.87 1bhc s SER 47 N -6.73 3.75 0.37 4.20 0.15 -1.26 -4.80 113.70 109.38 1bhc s SER 47 Ca -0.01 -0.41 0.04 0.00 0.70 0.00 0.00 55.95 56.27 1bhc s SER 47 Cb 0.12 -1.56 0.70 0.00 -1.71 0.00 0.00 66.02 63.57 1bhc s SER 47 CO 0.74 0.14 2.00 0.00 1.20 0.00 0.00 173.24 177.33 1bhc h ALA 48 N 6.85 1.57 -0.35 5.45 0.00 -1.98 -2.07 119.26 128.73 1bhc h ALA 48 Ca -0.26 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.61 1bhc h ALA 48 Cb 1.21 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1bhc h ALA 48 CO 0.54 0.38 0.16 1.49 0.00 0.00 0.00 179.25 181.82 1bhc h GLU 49 N 0.71 0.33 -0.62 0.00 4.81 -1.98 -1.90 114.58 115.94 1bhc h GLU 49 Ca 0.19 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1bhc h GLU 49 Cb -0.02 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 1bhc h GLU 49 CO -0.03 0.22 0.24 -0.44 -0.73 0.00 0.00 179.01 178.26 1bhc h ASP 50 N 0.34 0.83 0.70 1.04 3.32 -1.82 -2.24 116.42 118.59 1bhc h ASP 50 Ca 0.15 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 1bhc h ASP 50 Cb 0.07 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.40 1bhc h ASP 50 CO -0.11 0.75 -0.39 0.00 -1.72 0.00 0.00 179.24 177.77 1bhc h MET 52 N -1.02 0.00 0.11 0.00 2.86 -1.34 -0.44 114.93 115.10 1bhc h MET 52 Ca -0.09 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.35 1bhc h MET 52 Cb 0.80 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.49 1bhc h MET 52 CO 0.12 0.13 -0.86 -0.09 1.06 0.00 0.00 176.91 177.28 1bhc h ARG 53 N 0.00 0.39 -0.15 1.72 2.43 -1.20 0.75 114.38 118.33 1bhc h ARG 53 Ca -0.00 -0.56 -0.14 0.00 -0.81 0.00 0.00 59.98 58.47 1bhc h ARG 53 Cb 0.40 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1bhc h ARG 53 CO 0.02 1.24 -0.45 1.15 -1.51 0.00 0.00 179.97 180.41 1bhc h THR 54 N -0.17 1.35 0.00 0.20 2.02 -0.89 -3.39 112.91 112.03 1bhc h THR 54 Ca -0.14 -1.73 0.00 0.00 0.77 0.00 0.00 66.41 65.31 1bhc h THR 54 Cb 1.62 2.04 0.00 0.00 -1.74 0.00 0.00 68.15 70.07 1bhc h THR 54 CO 0.16 0.53 -1.59 0.00 0.37 0.00 0.00 175.52 174.99