#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 0.49 0.03 2.89 -0.02 -1.26 -4.91 135.00 132.22 1bhc n PRO 2 Ca 0.00 0.21 -0.02 0.00 -2.02 0.00 0.00 63.50 61.67 1bhc n PRO 2 Cb 0.00 -2.04 0.25 0.00 -0.02 0.00 0.00 33.50 31.69 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 -0.15 0.42 -0.01 2.55 5.19 -2.03 -2.61 116.42 119.78 1bhc h ASP 3 Ca -0.47 -0.13 0.00 0.00 -0.62 0.00 0.00 57.03 55.82 1bhc h ASP 3 Cb 1.35 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 40.74 1bhc h ASP 3 CO 0.46 0.64 0.04 2.19 -3.12 0.00 0.00 179.24 179.45 1bhc h PHE 4 N 0.39 0.00 0.00 4.55 -5.15 -1.97 -0.95 116.94 113.81 1bhc h PHE 4 Ca 0.06 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.83 1bhc h PHE 4 Cb 0.58 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.75 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 -1.40 1.02 -4.77 0.00 7.99 -0.36 -4.43 117.00 115.05 1bhc n LEU 6 Ca 0.02 -0.52 -0.37 0.00 -0.01 0.00 0.00 56.01 55.13 1bhc n LEU 6 Cb 0.06 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.35 1bhc n LEU 6 CO 0.05 0.25 0.82 -1.61 -1.51 0.00 0.00 177.39 175.38 1bhc s GLU 7 N -2.88 3.93 0.65 3.23 2.02 0.05 -4.94 118.70 120.77 1bhc s GLU 7 Ca 0.08 1.75 -0.11 0.00 0.02 0.00 0.00 54.97 56.71 1bhc s GLU 7 Cb 0.15 -2.52 -0.02 0.00 0.10 0.00 0.00 34.13 31.84 1bhc s GLU 7 CO 0.81 -0.40 1.06 -1.25 0.02 0.00 0.00 175.26 175.50 1bhc s PRO 8 N -2.52 3.30 0.39 0.39 0.04 -1.26 -4.88 135.00 130.46 1bhc s PRO 8 Ca 0.60 0.64 -0.27 0.00 0.04 0.00 0.00 61.00 62.01 1bhc s PRO 8 Cb -0.28 -2.06 -0.10 0.00 0.04 0.00 0.00 34.50 32.10 1bhc s PRO 8 CO 0.35 -0.76 1.45 -1.25 0.04 0.00 0.00 177.00 176.83 1bhc s PRO 9 N -5.25 4.04 -0.25 0.56 0.04 -1.26 -4.95 135.00 127.93 1bhc s PRO 9 Ca 0.56 2.49 0.03 0.00 0.04 0.00 0.00 61.00 64.12 1bhc s PRO 9 Cb -0.11 -2.90 0.06 0.00 0.04 0.00 0.00 34.50 31.58 1bhc s PRO 9 CO 0.53 -0.56 -0.11 -0.47 0.04 0.00 0.00 177.00 176.43 1bhc s TYR 10 N -1.15 3.14 0.14 0.56 5.04 -1.26 -4.99 117.35 118.83 1bhc s TYR 10 Ca 0.54 -2.21 -0.10 0.00 -2.44 0.00 0.00 57.07 52.86 1bhc s TYR 10 Cb -0.45 -1.89 -0.06 0.00 0.35 0.00 0.00 41.96 39.91 1bhc s TYR 10 CO 0.60 -0.86 1.42 1.15 -1.34 0.00 0.00 175.55 176.52 1bhc h THR 11 N 6.69 1.28 0.00 4.34 2.02 -1.96 -3.43 112.91 121.85 1bhc h THR 11 Ca -0.21 -1.74 0.00 0.00 0.77 0.00 0.00 66.41 65.22 1bhc h THR 11 Cb 1.05 1.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 1bhc h THR 11 CO 0.47 0.57 0.00 0.61 0.37 0.00 0.00 175.52 177.54 1bhc n GLY 12 N 0.35 -0.43 0.22 2.16 0.00 -1.26 -0.41 105.19 105.83 1bhc n GLY 12 Ca -0.04 -1.74 0.10 0.00 0.00 0.00 0.00 46.02 44.35 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 -7.31 1.61 0.13 -1.92 -3.44 132.00 121.07 1bhc h PRO 13 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 1bhc h PRO 13 Cb 0.00 0.00 0.15 0.00 0.13 0.00 0.00 31.00 31.28 1bhc h PRO 13 CO 0.00 0.21 0.27 0.00 -0.23 0.00 0.00 178.00 178.25 1bhc n LYS 15 N -3.80 0.70 -1.41 0.00 -0.00 -1.20 -4.53 118.16 107.93 1bhc n LYS 15 Ca 0.08 -0.46 -0.30 0.00 -0.00 0.00 0.00 58.31 57.63 1bhc n LYS 15 Cb 0.54 -1.49 0.11 0.00 -0.00 0.00 0.00 35.03 34.18 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 -2.61 2.01 -0.53 0.58 0.00 -0.27 -5.01 121.76 115.93 1bhc s ALA 16 Ca 0.20 -0.12 0.05 0.00 0.00 0.00 0.00 51.96 52.10 1bhc s ALA 16 Cb 0.19 -3.15 0.20 0.00 0.00 0.00 0.00 23.12 20.35 1bhc s ALA 16 CO 0.58 -1.94 0.49 0.54 0.00 0.00 0.00 175.76 175.44 1bhc n ARG 17 N -3.59 1.18 -3.93 0.00 1.74 -1.26 -4.02 116.66 106.78 1bhc n ARG 17 Ca 0.07 -3.83 -0.37 0.00 -0.77 0.00 0.00 57.85 52.95 1bhc n ARG 17 Cb 0.56 -1.87 -0.06 0.00 -1.02 0.00 0.00 32.46 30.07 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 -1.07 5.39 0.01 0.55 1.09 -0.39 -4.88 121.20 121.90 1bhc s ILE 18 Ca 0.32 0.16 -0.27 0.00 -1.10 0.00 0.00 60.65 59.76 1bhc s ILE 18 Cb 0.06 -3.34 -0.04 0.00 -1.06 0.00 0.00 42.46 38.07 1bhc s ILE 18 CO -0.14 0.61 0.85 -0.63 -0.10 0.00 0.00 174.94 175.53 1bhc s ILE 19 N -1.02 4.82 0.20 2.92 1.01 -1.26 0.64 121.20 128.51 1bhc s ILE 19 Ca 0.15 1.80 0.00 0.00 0.00 0.00 0.00 60.65 62.60 1bhc s ILE 19 Cb -0.12 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 1bhc s ILE 19 CO 0.04 0.26 0.09 -0.13 0.00 0.00 0.00 174.94 175.20 1bhc s ARG 20 N 0.53 1.20 0.20 2.79 1.81 -0.55 -4.91 118.95 120.02 1bhc s ARG 20 Ca 0.44 -1.62 0.09 0.00 -1.72 0.00 0.00 55.73 52.92 1bhc s ARG 20 Cb -0.20 0.03 -0.04 0.00 -0.45 0.00 0.00 34.95 34.28 1bhc s ARG 20 CO 0.24 -0.30 -0.06 0.71 -0.68 0.00 0.00 175.30 175.21 1bhc s TYR 21 N -3.95 2.68 0.00 -0.53 1.51 -0.04 -1.23 117.35 115.80 1bhc s TYR 21 Ca 0.34 -0.21 -0.13 0.00 -1.01 0.00 0.00 57.07 56.07 1bhc s TYR 21 Cb 0.07 -1.28 0.02 0.00 -0.11 0.00 0.00 41.96 40.66 1bhc s TYR 21 CO 0.10 0.54 0.26 -0.59 -1.11 0.00 0.00 175.55 174.75 1bhc s PHE 22 N -1.85 -0.10 -0.27 2.71 -0.71 0.10 -0.30 117.98 117.56 1bhc s PHE 22 Ca 0.27 0.10 -0.25 0.00 -1.04 0.00 0.00 56.93 56.00 1bhc s PHE 22 Cb -0.08 0.05 0.00 0.00 -1.21 0.00 0.00 43.02 41.78 1bhc s PHE 22 CO 0.17 -0.39 0.87 -0.47 -1.34 0.00 0.00 175.22 174.07 1bhc s TYR 23 N -1.60 3.26 -0.65 3.49 5.04 -1.26 -0.56 117.35 125.07 1bhc s TYR 23 Ca -0.12 1.10 -0.19 0.00 -2.44 0.00 0.00 57.07 55.42 1bhc s TYR 23 Cb -0.05 -3.20 0.11 0.00 0.35 0.00 0.00 41.96 39.17 1bhc s TYR 23 CO 0.02 -0.50 0.78 1.21 -1.34 0.00 0.00 175.55 175.72 1bhc s ASN 24 N 1.44 6.28 0.20 4.32 3.84 0.11 -4.76 114.94 126.37 1bhc s ASN 24 Ca 0.37 -1.57 -0.11 0.00 0.21 0.00 0.00 52.86 51.76 1bhc s ASN 24 Cb -0.15 -2.32 0.25 0.00 -0.55 0.00 0.00 41.25 38.49 1bhc s ASN 24 CO 0.10 -1.10 1.73 0.00 -2.79 0.00 0.00 177.10 175.04 1bhc h ALA 25 N 9.07 0.71 -0.98 1.71 0.00 -1.82 0.96 119.26 128.92 1bhc h ALA 25 Ca -0.21 0.10 0.11 0.00 0.00 0.00 0.00 54.91 54.91 1bhc h ALA 25 Cb 1.07 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.88 1bhc h ALA 25 CO 1.08 -0.24 0.61 0.87 0.00 0.00 0.00 179.25 181.57 1bhc h LYS 26 N 0.33 0.95 0.00 0.00 1.57 -1.94 -0.82 116.57 116.66 1bhc h LYS 26 Ca 0.29 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1bhc h LYS 26 Cb 0.38 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1bhc h LYS 26 CO -0.32 0.63 -0.97 0.00 -0.57 0.00 0.00 179.45 178.21 1bhc n ALA 27 N -2.35 3.10 -3.53 3.86 0.00 -0.74 -4.96 120.51 115.88 1bhc n ALA 27 Ca 0.18 -0.34 -0.20 0.00 0.00 0.00 0.00 53.44 53.07 1bhc n ALA 27 Cb 0.33 -1.03 0.08 0.00 0.00 0.00 0.00 19.45 18.83 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 1.32 -0.42 3.33 0.00 0.00 0.33 -4.99 105.19 104.75 1bhc n GLY 28 Ca 0.02 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 -6.75 0.36 0.03 0.99 1.98 -1.02 -4.99 118.68 109.27 1bhc s LEU 29 Ca 0.23 -0.08 -0.15 0.00 -2.89 0.00 0.00 54.13 51.24 1bhc s LEU 29 Cb -0.10 1.80 -0.06 0.00 0.66 0.00 0.00 46.19 48.49 1bhc s LEU 29 CO 0.74 -0.72 0.45 0.00 -1.89 0.00 0.00 176.35 174.92 1bhc s GLN 31 N -1.18 1.56 0.39 0.00 -0.21 0.27 -4.91 119.66 115.59 1bhc s GLN 31 Ca 0.26 -1.88 0.01 0.00 0.02 0.00 0.00 55.36 53.76 1bhc s GLN 31 Cb -0.17 -0.18 -0.02 0.00 1.00 0.00 0.00 33.01 33.64 1bhc s GLN 31 CO 0.15 -0.40 0.60 0.95 -2.12 0.00 0.00 175.29 174.47 1bhc s THR 32 N -3.62 4.60 0.11 -0.19 -4.23 -1.26 -0.72 115.64 110.33 1bhc s THR 32 Ca 0.36 -0.48 -0.25 0.00 -1.18 0.00 0.00 61.69 60.14 1bhc s THR 32 Cb 0.06 -3.69 0.08 0.00 1.34 0.00 0.00 72.50 70.29 1bhc s THR 32 CO 0.16 -0.46 0.70 0.72 -0.54 0.00 0.00 174.62 175.20 1bhc s PHE 33 N -2.42 -0.46 -0.30 3.99 -0.71 -0.37 -4.88 117.98 112.82 1bhc s PHE 33 Ca 0.44 0.27 -0.18 0.00 -1.04 0.00 0.00 56.93 56.42 1bhc s PHE 33 Cb -0.10 0.56 -0.02 0.00 -1.21 0.00 0.00 43.02 42.25 1bhc s PHE 33 CO 0.37 -0.76 0.50 0.08 -1.34 0.00 0.00 175.22 174.07 1bhc s VAL 34 N -3.55 5.05 -0.08 -2.49 1.01 -1.26 -1.49 120.40 117.60 1bhc s VAL 34 Ca 0.03 0.60 -0.11 0.00 0.00 0.00 0.00 61.98 62.51 1bhc s VAL 34 Cb -0.01 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 1bhc s VAL 34 CO -0.11 -0.05 0.26 -0.47 0.00 0.00 0.00 175.10 174.72 1bhc s TYR 35 N 2.34 3.64 -0.70 5.22 5.04 0.21 -4.43 117.35 128.67 1bhc s TYR 35 Ca 0.20 0.72 0.26 0.00 -2.44 0.00 0.00 57.07 55.80 1bhc s TYR 35 Cb -0.15 -2.11 0.76 0.00 0.35 0.00 0.00 41.96 40.81 1bhc s TYR 35 CO 0.11 0.67 1.76 0.78 -1.34 0.00 0.00 175.55 177.53 1bhc h GLY 36 N 5.00 0.00 0.00 8.97 0.00 -0.87 -1.03 103.07 115.14 1bhc h GLY 36 Ca -0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1bhc h GLY 36 CO 0.61 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.76 1bhc n GLY 37 N 1.29 0.79 3.35 4.60 0.00 -1.26 -1.12 105.19 112.84 1bhc n GLY 37 Ca 0.05 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 -0.25 -6.19 -1.89 0.00 3.00 -1.26 -4.46 116.66 105.61 1bhc n ARG 39 Ca -0.14 0.72 -0.34 0.00 -0.01 0.00 0.00 57.85 58.07 1bhc n ARG 39 Cb 0.63 -5.58 0.04 0.00 0.00 0.00 0.00 32.46 27.55 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 -3.43 2.49 0.53 7.54 0.00 -1.26 -4.80 121.76 122.83 1bhc s ALA 40 Ca 0.29 0.77 0.08 0.00 0.00 0.00 0.00 51.96 53.10 1bhc s ALA 40 Cb -0.14 -3.38 0.05 0.00 0.00 0.00 0.00 23.12 19.66 1bhc s ALA 40 CO 0.78 -1.22 0.62 0.15 0.00 0.00 0.00 175.76 176.09 1bhc s LYS 41 N -3.70 2.38 0.33 0.00 1.02 -1.26 -5.03 119.74 113.47 1bhc s LYS 41 Ca 0.72 -1.69 0.04 0.00 0.02 0.00 0.00 55.97 55.06 1bhc s LYS 41 Cb -0.25 -2.49 0.59 0.00 -0.52 0.00 0.00 37.83 35.16 1bhc s LYS 41 CO 0.37 -0.66 1.86 0.00 -0.92 0.00 0.00 175.35 175.99 1bhc h ARG 42 N 0.47 0.52 -4.09 1.68 2.47 -1.97 -3.30 114.38 110.16 1bhc h ARG 42 Ca -0.34 -0.12 -0.73 0.00 -1.26 0.00 0.00 59.98 57.53 1bhc h ARG 42 Cb 1.29 -0.07 -0.12 0.00 -1.65 0.00 0.00 29.97 29.42 1bhc h ARG 42 CO 0.47 0.56 2.25 -1.71 0.56 0.00 0.00 179.97 182.10 1bhc n ASN 43 N -4.27 4.76 -3.22 7.04 5.15 -1.26 -4.75 115.26 118.70 1bhc n ASN 43 Ca 0.01 -3.00 -0.01 0.00 -0.60 0.00 0.00 54.58 50.99 1bhc n ASN 43 Cb 0.26 -1.57 -0.03 0.00 -0.53 0.00 0.00 39.78 37.90 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 2.17 -0.80 -0.07 1.20 3.84 -1.25 -4.67 114.94 115.37 1bhc s ASN 44 Ca 0.44 0.60 0.05 0.00 0.21 0.00 0.00 52.86 54.16 1bhc s ASN 44 Cb 0.08 1.78 -0.01 0.00 -0.55 0.00 0.00 41.25 42.55 1bhc s ASN 44 CO -0.01 -0.28 -0.23 -0.36 -2.79 0.00 0.00 177.10 173.43 1bhc s PHE 45 N 2.74 2.52 0.21 0.43 0.08 0.59 -4.94 117.98 119.61 1bhc s PHE 45 Ca 0.17 -0.78 0.09 0.00 0.12 0.00 0.00 56.93 56.53 1bhc s PHE 45 Cb -0.15 -1.65 0.12 0.00 -0.57 0.00 0.00 43.02 40.77 1bhc s PHE 45 CO -0.20 -0.25 1.47 -0.22 -0.10 0.00 0.00 175.22 175.92 1bhc h LYS 46 N 6.26 0.00 -5.30 0.44 3.64 -1.92 -0.07 116.57 119.62 1bhc h LYS 46 Ca -0.28 -0.00 -0.65 0.00 -1.27 0.00 0.00 60.65 58.44 1bhc h LYS 46 Cb 1.20 0.00 -0.25 0.00 -0.41 0.00 0.00 32.23 32.76 1bhc h LYS 46 CO 0.48 0.78 -0.74 0.45 -2.27 0.00 0.00 179.45 178.15 1bhc s SER 47 N -6.79 4.24 0.26 4.20 0.15 -1.26 -4.82 113.70 109.68 1bhc s SER 47 Ca -0.00 -0.27 -0.05 0.00 0.70 0.00 0.00 55.95 56.33 1bhc s SER 47 Cb 0.12 -1.66 0.30 0.00 -1.71 0.00 0.00 66.02 63.07 1bhc s SER 47 CO 0.79 0.16 1.88 0.00 1.20 0.00 0.00 173.24 177.27 1bhc h ALA 48 N 6.74 1.23 -0.66 5.45 0.00 -1.98 -1.69 119.26 128.36 1bhc h ALA 48 Ca -0.28 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.57 1bhc h ALA 48 Cb 1.21 -0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 1bhc h ALA 48 CO 0.58 0.61 0.36 1.49 0.00 0.00 0.00 179.25 182.29 1bhc h GLU 49 N 1.15 0.64 -0.43 0.00 4.81 -1.99 -1.68 114.58 117.08 1bhc h GLU 49 Ca 0.29 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.41 1bhc h GLU 49 Cb 0.04 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 1bhc h GLU 49 CO -0.05 0.42 -0.01 -0.44 -0.73 0.00 0.00 179.01 178.21 1bhc h ASP 50 N 0.66 0.66 0.60 1.04 3.32 -1.75 -2.03 116.42 118.92 1bhc h ASP 50 Ca 0.30 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 1bhc h ASP 50 Cb 0.20 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 39.58 1bhc h ASP 50 CO -0.19 0.74 -0.29 0.00 -1.72 0.00 0.00 179.24 177.78 1bhc h MET 52 N -0.89 0.00 0.21 0.00 2.86 -1.35 0.13 114.93 115.89 1bhc h MET 52 Ca -0.08 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.24 1bhc h MET 52 Cb 0.65 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.34 1bhc h MET 52 CO 0.14 0.18 -1.39 -0.09 1.06 0.00 0.00 176.91 176.80 1bhc h ARG 53 N 0.00 0.48 -0.05 1.72 2.43 -1.30 0.15 114.38 117.81 1bhc h ARG 53 Ca -0.00 -0.79 -0.13 0.00 -0.81 0.00 0.00 59.98 58.24 1bhc h ARG 53 Cb 0.41 0.29 0.01 0.00 -0.42 0.00 0.00 29.97 30.26 1bhc h ARG 53 CO 0.02 1.37 -0.49 1.15 -1.51 0.00 0.00 179.97 180.52 1bhc h THR 54 N 0.14 1.41 0.00 0.20 2.02 -0.84 -3.38 112.91 112.46 1bhc h THR 54 Ca -0.22 -1.91 0.00 0.00 0.77 0.00 0.00 66.41 65.05 1bhc h THR 54 Cb 2.09 2.42 0.00 0.00 -1.74 0.00 0.00 68.15 70.91 1bhc h THR 54 CO 0.25 0.56 -1.58 0.00 0.37 0.00 0.00 175.52 175.12