#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 0.61 0.10 2.89 -0.02 -1.26 -4.91 135.00 132.41 1bhc n PRO 2 Ca 0.00 0.26 0.01 0.00 -2.02 0.00 0.00 63.50 61.75 1bhc n PRO 2 Cb 0.00 -2.18 0.34 0.00 -0.02 0.00 0.00 33.50 31.64 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 -0.04 0.26 0.15 2.55 5.19 -2.03 -2.56 116.42 119.95 1bhc h ASP 3 Ca -0.48 -0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 55.86 1bhc h ASP 3 Cb 1.35 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 40.79 1bhc h ASP 3 CO 0.48 0.46 -0.03 2.19 -3.12 0.00 0.00 179.24 179.21 1bhc h PHE 4 N 0.25 0.00 0.00 4.55 -5.15 -1.98 -1.40 116.94 113.22 1bhc h PHE 4 Ca 0.05 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.82 1bhc h PHE 4 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.64 1bhc h PHE 4 CO 0.01 0.03 0.00 0.00 -2.00 0.00 0.00 178.31 176.35 1bhc n LEU 6 N -1.44 0.68 -4.77 0.00 7.99 -0.53 -4.44 117.00 114.49 1bhc n LEU 6 Ca 0.00 -0.27 -0.36 0.00 -0.01 0.00 0.00 56.01 55.37 1bhc n LEU 6 Cb 0.02 -0.03 0.01 0.00 -0.11 0.00 0.00 43.42 43.30 1bhc n LEU 6 CO 0.01 0.15 0.83 -1.61 -1.51 0.00 0.00 177.39 175.26 1bhc s GLU 7 N -3.15 3.36 0.58 3.23 2.02 0.26 -4.94 118.70 120.07 1bhc s GLU 7 Ca 0.04 1.76 -0.09 0.00 0.02 0.00 0.00 54.97 56.70 1bhc s GLU 7 Cb 0.15 -2.12 -0.03 0.00 0.10 0.00 0.00 34.13 32.23 1bhc s GLU 7 CO 0.86 -0.88 0.95 -1.25 0.02 0.00 0.00 175.26 174.96 1bhc s PRO 8 N -3.10 3.48 0.46 0.39 0.04 -1.26 -4.87 135.00 130.13 1bhc s PRO 8 Ca 0.71 0.51 -0.25 0.00 0.04 0.00 0.00 61.00 62.02 1bhc s PRO 8 Cb -0.28 -2.18 -0.08 0.00 0.04 0.00 0.00 34.50 32.01 1bhc s PRO 8 CO 0.32 -0.51 1.38 -1.25 0.04 0.00 0.00 177.00 176.98 1bhc s PRO 9 N -5.05 3.65 -0.22 0.56 0.04 -1.26 -4.95 135.00 127.76 1bhc s PRO 9 Ca 0.53 2.30 0.01 0.00 0.04 0.00 0.00 61.00 63.88 1bhc s PRO 9 Cb -0.11 -2.59 0.05 0.00 0.04 0.00 0.00 34.50 31.89 1bhc s PRO 9 CO 0.51 -0.81 -0.10 -0.47 0.04 0.00 0.00 177.00 176.17 1bhc s TYR 10 N -1.25 2.65 0.19 0.56 5.04 -1.26 -4.99 117.35 118.29 1bhc s TYR 10 Ca 0.62 -1.83 -0.00 0.00 -2.44 0.00 0.00 57.07 53.42 1bhc s TYR 10 Cb -0.41 -1.71 0.10 0.00 0.35 0.00 0.00 41.96 40.28 1bhc s TYR 10 CO 0.52 -0.79 1.47 1.15 -1.34 0.00 0.00 175.55 176.56 1bhc h THR 11 N 6.54 1.38 0.00 4.34 2.02 -1.95 -3.43 112.91 121.80 1bhc h THR 11 Ca -0.24 -2.07 0.00 0.00 0.77 0.00 0.00 66.41 64.87 1bhc h THR 11 Cb 1.08 2.05 0.00 0.00 -1.74 0.00 0.00 68.15 69.54 1bhc h THR 11 CO 0.46 0.62 0.00 0.61 0.37 0.00 0.00 175.52 177.59 1bhc n GLY 12 N 0.47 -1.02 0.23 2.16 0.00 -1.26 -0.48 105.19 105.28 1bhc n GLY 12 Ca -0.04 -1.64 0.11 0.00 0.00 0.00 0.00 46.02 44.44 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 -7.29 1.61 0.13 -1.92 -3.43 132.00 121.10 1bhc h PRO 13 Ca 0.00 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.64 1bhc h PRO 13 Cb 0.00 0.00 0.17 0.00 0.13 0.00 0.00 31.00 31.30 1bhc h PRO 13 CO 0.00 0.20 0.21 0.00 -0.23 0.00 0.00 178.00 178.18 1bhc n LYS 15 N -4.11 1.85 -1.60 0.00 -0.00 -1.16 -4.52 118.16 108.62 1bhc n LYS 15 Ca 0.08 -1.49 -0.29 0.00 -0.00 0.00 0.00 58.31 56.60 1bhc n LYS 15 Cb 0.54 -1.47 0.10 0.00 -0.00 0.00 0.00 35.03 34.21 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 -2.18 2.16 -0.54 0.58 0.00 0.23 -5.01 121.76 117.01 1bhc s ALA 16 Ca 0.26 -0.37 0.05 0.00 0.00 0.00 0.00 51.96 51.89 1bhc s ALA 16 Cb 0.19 -3.06 0.18 0.00 0.00 0.00 0.00 23.12 20.43 1bhc s ALA 16 CO 0.40 -1.88 0.43 0.54 0.00 0.00 0.00 175.76 175.25 1bhc n ARG 17 N -3.51 0.99 -4.20 0.00 1.74 -1.26 -3.98 116.66 106.45 1bhc n ARG 17 Ca 0.07 -3.78 -0.36 0.00 -0.77 0.00 0.00 57.85 53.01 1bhc n ARG 17 Cb 0.58 -1.92 -0.08 0.00 -1.02 0.00 0.00 32.46 30.01 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 -0.75 4.72 0.06 0.55 1.09 -0.38 -4.89 121.20 121.60 1bhc s ILE 18 Ca 0.30 -0.09 -0.29 0.00 -1.10 0.00 0.00 60.65 59.48 1bhc s ILE 18 Cb 0.02 -3.02 -0.05 0.00 -1.06 0.00 0.00 42.46 38.35 1bhc s ILE 18 CO -0.17 0.60 0.92 -0.63 -0.10 0.00 0.00 174.94 175.56 1bhc s ILE 19 N -0.87 4.68 0.17 2.92 1.01 -1.26 0.47 121.20 128.31 1bhc s ILE 19 Ca 0.13 1.96 -0.00 0.00 0.00 0.00 0.00 60.65 62.74 1bhc s ILE 19 Cb -0.12 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.04 1bhc s ILE 19 CO 0.03 0.27 0.07 -0.13 0.00 0.00 0.00 174.94 175.18 1bhc s ARG 20 N 0.34 1.09 0.18 2.79 1.81 -0.40 -4.90 118.95 119.86 1bhc s ARG 20 Ca 0.46 -1.55 0.07 0.00 -1.72 0.00 0.00 55.73 53.00 1bhc s ARG 20 Cb -0.22 0.07 -0.04 0.00 -0.45 0.00 0.00 34.95 34.31 1bhc s ARG 20 CO 0.27 -0.27 0.03 0.71 -0.68 0.00 0.00 175.30 175.37 1bhc s TYR 21 N -3.95 2.90 0.01 -0.53 1.51 0.16 -1.14 117.35 116.30 1bhc s TYR 21 Ca 0.29 -0.12 -0.11 0.00 -1.01 0.00 0.00 57.07 56.12 1bhc s TYR 21 Cb 0.07 -1.39 0.01 0.00 -0.11 0.00 0.00 41.96 40.54 1bhc s TYR 21 CO 0.06 0.52 0.22 -0.59 -1.11 0.00 0.00 175.55 174.66 1bhc s PHE 22 N -1.79 -0.04 -0.24 2.71 -0.71 -0.04 -0.65 117.98 117.22 1bhc s PHE 22 Ca 0.28 -0.03 -0.25 0.00 -1.04 0.00 0.00 56.93 55.90 1bhc s PHE 22 Cb -0.09 0.02 -0.00 0.00 -1.21 0.00 0.00 43.02 41.73 1bhc s PHE 22 CO 0.20 -0.38 0.84 -0.47 -1.34 0.00 0.00 175.22 174.07 1bhc s TYR 23 N -1.76 3.31 -0.66 3.49 5.04 -1.26 -0.65 117.35 124.85 1bhc s TYR 23 Ca -0.11 1.15 -0.17 0.00 -2.44 0.00 0.00 57.07 55.51 1bhc s TYR 23 Cb -0.05 -3.06 0.14 0.00 0.35 0.00 0.00 41.96 39.35 1bhc s TYR 23 CO 0.01 -0.41 0.68 1.21 -1.34 0.00 0.00 175.55 175.70 1bhc s ASN 24 N 1.33 6.37 0.20 4.32 3.84 0.90 -4.77 114.94 127.13 1bhc s ASN 24 Ca 0.35 -1.93 -0.12 0.00 0.21 0.00 0.00 52.86 51.37 1bhc s ASN 24 Cb -0.15 -2.25 0.25 0.00 -0.55 0.00 0.00 41.25 38.54 1bhc s ASN 24 CO 0.07 -0.88 1.68 0.00 -2.79 0.00 0.00 177.10 175.18 1bhc h ALA 25 N 8.69 0.57 -0.89 1.71 0.00 -1.81 0.95 119.26 128.48 1bhc h ALA 25 Ca -0.16 0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.00 1bhc h ALA 25 Cb 1.07 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 19.05 1bhc h ALA 25 CO 0.99 -0.37 0.57 0.87 0.00 0.00 0.00 179.25 181.32 1bhc h LYS 26 N 0.15 0.86 0.00 0.00 1.57 -1.94 -1.00 116.57 116.21 1bhc h LYS 26 Ca 0.29 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1bhc h LYS 26 Cb 0.44 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1bhc h LYS 26 CO -0.44 0.57 -1.04 0.00 -0.57 0.00 0.00 179.45 177.97 1bhc n ALA 27 N -2.41 3.21 -3.51 3.86 0.00 -0.69 -4.97 120.51 116.00 1bhc n ALA 27 Ca 0.15 -0.37 -0.20 0.00 0.00 0.00 0.00 53.44 53.02 1bhc n ALA 27 Cb 0.30 -1.00 0.08 0.00 0.00 0.00 0.00 19.45 18.84 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 1.34 -0.41 3.38 0.00 0.00 0.32 -5.00 105.19 104.82 1bhc n GLY 28 Ca 0.01 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 -6.68 -0.03 0.09 0.99 1.98 -1.01 -5.00 118.68 109.01 1bhc s LEU 29 Ca 0.19 0.04 -0.12 0.00 -2.89 0.00 0.00 54.13 51.35 1bhc s LEU 29 Cb -0.08 2.13 -0.06 0.00 0.66 0.00 0.00 46.19 48.83 1bhc s LEU 29 CO 0.74 -0.78 0.45 0.00 -1.89 0.00 0.00 176.35 174.86 1bhc s GLN 31 N -1.81 1.48 0.42 0.00 -0.21 0.17 -4.90 119.66 114.81 1bhc s GLN 31 Ca 0.33 -1.83 0.01 0.00 0.02 0.00 0.00 55.36 53.89 1bhc s GLN 31 Cb -0.15 0.10 -0.01 0.00 1.00 0.00 0.00 33.01 33.95 1bhc s GLN 31 CO 0.18 -0.46 0.64 0.95 -2.12 0.00 0.00 175.29 174.48 1bhc s THR 32 N -3.77 4.23 0.03 -0.19 -4.23 -1.26 -0.86 115.64 109.58 1bhc s THR 32 Ca 0.38 -0.50 -0.27 0.00 -1.18 0.00 0.00 61.69 60.11 1bhc s THR 32 Cb 0.05 -3.56 0.09 0.00 1.34 0.00 0.00 72.50 70.43 1bhc s THR 32 CO 0.17 -0.38 0.77 0.72 -0.54 0.00 0.00 174.62 175.36 1bhc s PHE 33 N -2.49 -0.47 -0.34 3.99 -0.71 -0.29 -4.87 117.98 112.80 1bhc s PHE 33 Ca 0.46 0.45 -0.21 0.00 -1.04 0.00 0.00 56.93 56.59 1bhc s PHE 33 Cb -0.10 0.52 0.00 0.00 -1.21 0.00 0.00 43.02 42.23 1bhc s PHE 33 CO 0.37 -0.64 0.68 0.08 -1.34 0.00 0.00 175.22 174.38 1bhc s VAL 34 N -2.79 4.85 -0.07 -2.49 1.01 -1.26 -1.27 120.40 118.38 1bhc s VAL 34 Ca 0.00 0.78 -0.14 0.00 0.00 0.00 0.00 61.98 62.63 1bhc s VAL 34 Cb -0.01 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 1bhc s VAL 34 CO -0.06 -0.29 0.34 -0.47 0.00 0.00 0.00 175.10 174.62 1bhc s TYR 35 N 2.80 3.62 -0.75 5.22 5.04 0.17 -4.43 117.35 129.03 1bhc s TYR 35 Ca 0.27 0.81 0.26 0.00 -2.44 0.00 0.00 57.07 55.97 1bhc s TYR 35 Cb -0.14 -2.27 0.86 0.00 0.35 0.00 0.00 41.96 40.76 1bhc s TYR 35 CO 0.14 0.52 1.79 0.41 -1.34 0.00 0.00 175.55 177.07 1bhc n GLY 36 N 2.36 -1.67 0.00 8.97 0.00 0.36 -1.25 105.19 113.97 1bhc n GLY 36 Ca -0.14 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 1.26 0.85 3.44 -0.02 0.00 -1.26 -0.60 105.19 108.87 1bhc n GLY 37 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.32 -6.83 -1.90 0.00 3.00 -1.26 -4.43 116.66 104.92 1bhc n ARG 39 Ca -0.13 0.78 -0.34 0.00 -0.01 0.00 0.00 57.85 58.15 1bhc n ARG 39 Cb 0.63 -5.75 0.04 0.00 0.00 0.00 0.00 32.46 27.38 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 -3.38 2.52 0.43 7.54 0.00 -1.26 -4.78 121.76 122.84 1bhc s ALA 40 Ca 0.31 0.67 0.08 0.00 0.00 0.00 0.00 51.96 53.01 1bhc s ALA 40 Cb -0.14 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 1bhc s ALA 40 CO 0.75 -1.15 0.41 0.15 0.00 0.00 0.00 175.76 175.93 1bhc s LYS 41 N -3.81 2.52 0.28 0.00 1.02 -1.26 -5.03 119.74 113.46 1bhc s LYS 41 Ca 0.70 -1.56 -0.01 0.00 0.02 0.00 0.00 55.97 55.11 1bhc s LYS 41 Cb -0.22 -2.39 0.46 0.00 -0.52 0.00 0.00 37.83 35.15 1bhc s LYS 41 CO 0.37 -0.26 1.91 0.00 -0.92 0.00 0.00 175.35 176.44 1bhc h ARG 42 N 0.94 1.09 -4.04 1.68 2.47 -1.97 -3.25 114.38 111.29 1bhc h ARG 42 Ca -0.40 -0.07 -0.72 0.00 -1.26 0.00 0.00 59.98 57.54 1bhc h ARG 42 Cb 1.27 -0.25 -0.06 0.00 -1.65 0.00 0.00 29.97 29.29 1bhc h ARG 42 CO 0.56 0.72 2.90 -1.71 0.56 0.00 0.00 179.97 183.00 1bhc n ASN 43 N -4.48 4.13 -3.24 7.04 5.15 -1.26 -4.72 115.26 117.88 1bhc n ASN 43 Ca 0.14 -2.89 -0.02 0.00 -0.60 0.00 0.00 54.58 51.21 1bhc n ASN 43 Cb 0.16 -1.64 -0.04 0.00 -0.53 0.00 0.00 39.78 37.74 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 2.91 -0.66 -0.08 1.20 3.84 -1.23 -4.66 114.94 116.25 1bhc s ASN 44 Ca 0.46 0.47 0.04 0.00 0.21 0.00 0.00 52.86 54.04 1bhc s ASN 44 Cb 0.13 1.68 -0.01 0.00 -0.55 0.00 0.00 41.25 42.49 1bhc s ASN 44 CO -0.07 -0.29 -0.20 -0.36 -2.79 0.00 0.00 177.10 173.40 1bhc s PHE 45 N 2.71 2.60 0.21 0.43 0.08 0.18 -4.94 117.98 119.25 1bhc s PHE 45 Ca 0.16 -0.68 0.10 0.00 0.12 0.00 0.00 56.93 56.64 1bhc s PHE 45 Cb -0.15 -1.69 0.21 0.00 -0.57 0.00 0.00 43.02 40.82 1bhc s PHE 45 CO -0.20 -0.19 1.52 -0.22 -0.10 0.00 0.00 175.22 176.03 1bhc h LYS 46 N 6.24 0.00 -5.69 0.44 3.64 -1.92 0.48 116.57 119.75 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 -0.27 0.00 -0.41 0.00 0.00 32.23 32.74 1bhc h LYS 46 CO 0.50 0.71 -0.80 0.45 -2.27 0.00 0.00 179.45 178.04 1bhc s SER 47 N -6.77 3.77 0.18 4.20 0.15 -1.26 -4.81 113.70 109.17 1bhc s SER 47 Ca -0.00 -0.35 -0.11 0.00 0.70 0.00 0.00 55.95 56.19 1bhc s SER 47 Cb 0.12 -1.27 0.10 0.00 -1.71 0.00 0.00 66.02 63.25 1bhc s SER 47 CO 0.77 0.22 1.75 0.00 1.20 0.00 0.00 173.24 177.19 1bhc h ALA 48 N 6.25 0.85 -0.74 5.45 0.00 -1.98 -1.95 119.26 127.14 1bhc h ALA 48 Ca -0.31 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 54.56 1bhc h ALA 48 Cb 1.19 -0.26 -0.09 0.00 0.00 0.00 0.00 17.79 18.64 1bhc h ALA 48 CO 0.52 0.44 0.32 1.49 0.00 0.00 0.00 179.25 182.03 1bhc h GLU 49 N 0.91 0.49 -0.62 0.00 4.81 -1.99 -0.49 114.58 117.71 1bhc h GLU 49 Ca 0.22 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.35 1bhc h GLU 49 Cb 0.17 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 1bhc h GLU 49 CO -0.02 0.33 0.12 -0.44 -0.73 0.00 0.00 179.01 178.26 1bhc h ASP 50 N 0.51 0.93 0.54 1.04 3.32 -1.80 -2.17 116.42 118.79 1bhc h ASP 50 Ca 0.39 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 1bhc h ASP 50 Cb 0.53 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 39.84 1bhc h ASP 50 CO -0.35 0.92 -0.26 0.00 -1.72 0.00 0.00 179.24 177.84 1bhc h MET 52 N -0.72 0.00 0.18 0.00 2.86 -1.32 0.88 114.93 116.80 1bhc h MET 52 Ca -0.07 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.25 1bhc h MET 52 Cb 0.55 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.25 1bhc h MET 52 CO 0.12 0.18 -1.35 -0.09 1.06 0.00 0.00 176.91 176.83 1bhc h ARG 53 N 0.00 0.59 -0.03 1.72 2.43 -1.20 0.81 114.38 118.71 1bhc h ARG 53 Ca -0.00 -0.88 -0.20 0.00 -0.81 0.00 0.00 59.98 58.09 1bhc h ARG 53 Cb 0.41 0.31 0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1bhc h ARG 53 CO 0.02 1.41 -0.77 1.15 -1.51 0.00 0.00 179.97 180.28 1bhc h THR 54 N 0.22 1.35 0.00 0.20 2.02 -0.89 -3.38 112.91 112.44 1bhc h THR 54 Ca -0.22 -2.10 0.00 0.00 0.77 0.00 0.00 66.41 64.86 1bhc h THR 54 Cb 2.03 2.42 0.00 0.00 -1.74 0.00 0.00 68.15 70.86 1bhc h THR 54 CO 0.26 0.63 -1.38 0.00 0.37 0.00 0.00 175.52 175.40