#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 0.60 -0.00 2.89 -0.02 -1.26 -4.91 135.00 132.29 1bhc n PRO 2 Ca 0.00 0.25 -0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1bhc n PRO 2 Cb 0.00 -2.04 0.29 0.00 -0.02 0.00 0.00 33.50 31.73 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 0.06 0.50 0.02 2.55 5.19 -2.03 -2.59 116.42 120.12 1bhc h ASP 3 Ca -0.47 -0.10 -0.00 0.00 -0.62 0.00 0.00 57.03 55.84 1bhc h ASP 3 Cb 1.36 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 40.74 1bhc h ASP 3 CO 0.47 0.58 -0.00 2.19 -3.12 0.00 0.00 179.24 179.36 1bhc h PHE 4 N 0.51 0.00 0.00 4.55 -5.15 -1.98 -0.72 116.94 114.16 1bhc h PHE 4 Ca 0.11 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.88 1bhc h PHE 4 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.52 1bhc h PHE 4 CO 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.32 1bhc n LEU 6 N -1.36 0.73 -4.77 0.00 7.99 -0.28 -4.44 117.00 114.87 1bhc n LEU 6 Ca 0.04 -0.28 -0.36 0.00 -0.01 0.00 0.00 56.01 55.40 1bhc n LEU 6 Cb 0.09 -0.05 -0.00 0.00 -0.11 0.00 0.00 43.42 43.35 1bhc n LEU 6 CO 0.08 0.16 0.80 -1.61 -1.51 0.00 0.00 177.39 175.31 1bhc s GLU 7 N -3.11 3.52 0.57 3.23 2.02 -0.51 -4.92 118.70 119.50 1bhc s GLU 7 Ca 0.05 1.66 -0.10 0.00 0.02 0.00 0.00 54.97 56.61 1bhc s GLU 7 Cb 0.16 -2.16 -0.04 0.00 0.10 0.00 0.00 34.13 32.19 1bhc s GLU 7 CO 0.84 -0.72 0.95 -1.25 0.02 0.00 0.00 175.26 175.10 1bhc s PRO 8 N -3.06 3.61 0.42 0.39 0.04 -1.26 -4.88 135.00 130.25 1bhc s PRO 8 Ca 0.69 0.60 -0.26 0.00 0.04 0.00 0.00 61.00 62.07 1bhc s PRO 8 Cb -0.25 -2.17 -0.09 0.00 0.04 0.00 0.00 34.50 32.02 1bhc s PRO 8 CO 0.29 -0.44 1.42 -1.25 0.04 0.00 0.00 177.00 177.07 1bhc s PRO 9 N -4.95 3.86 -0.23 0.56 0.04 -1.26 -4.95 135.00 128.07 1bhc s PRO 9 Ca 0.53 2.42 0.02 0.00 0.04 0.00 0.00 61.00 64.01 1bhc s PRO 9 Cb -0.11 -2.77 0.05 0.00 0.04 0.00 0.00 34.50 31.71 1bhc s PRO 9 CO 0.49 -0.68 -0.13 -0.47 0.04 0.00 0.00 177.00 176.26 1bhc s TYR 10 N -1.18 2.94 0.13 0.56 5.04 -1.26 -4.99 117.35 118.59 1bhc s TYR 10 Ca 0.58 -1.99 -0.10 0.00 -2.44 0.00 0.00 57.07 53.12 1bhc s TYR 10 Cb -0.44 -1.86 -0.07 0.00 0.35 0.00 0.00 41.96 39.95 1bhc s TYR 10 CO 0.57 -0.83 1.40 1.15 -1.34 0.00 0.00 175.55 176.50 1bhc h THR 11 N 6.48 1.29 0.00 4.34 2.02 -1.96 -3.43 112.91 121.65 1bhc h THR 11 Ca -0.28 -1.83 0.00 0.00 0.77 0.00 0.00 66.41 65.07 1bhc h THR 11 Cb 1.08 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 69.26 1bhc h THR 11 CO 0.51 0.59 0.00 0.61 0.37 0.00 0.00 175.52 177.59 1bhc n GLY 12 N 0.45 -0.52 0.26 2.16 0.00 -1.26 -0.89 105.19 105.39 1bhc n GLY 12 Ca -0.05 -1.73 0.15 0.00 0.00 0.00 0.00 46.02 44.40 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 -7.33 1.61 0.13 -1.92 -3.44 132.00 121.05 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 0.15 0.00 0.13 0.00 0.00 31.00 31.28 1bhc h PRO 13 CO 0.00 0.03 0.26 0.00 -0.23 0.00 0.00 178.00 178.06 1bhc n LYS 15 N -3.83 2.07 -1.48 0.00 -0.00 -1.20 -4.49 118.16 109.22 1bhc n LYS 15 Ca 0.07 -1.68 -0.29 0.00 -0.00 0.00 0.00 58.31 56.42 1bhc n LYS 15 Cb 0.55 -1.47 0.13 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 -2.08 1.79 -0.48 0.58 0.00 -0.17 -5.01 121.76 116.39 1bhc s ALA 16 Ca 0.27 -0.40 0.05 0.00 0.00 0.00 0.00 51.96 51.89 1bhc s ALA 16 Cb 0.20 -3.07 0.20 0.00 0.00 0.00 0.00 23.12 20.45 1bhc s ALA 16 CO 0.35 -2.21 0.46 0.54 0.00 0.00 0.00 175.76 174.90 1bhc n ARG 17 N -3.73 0.87 -3.99 0.00 1.74 -1.25 -3.91 116.66 106.39 1bhc n ARG 17 Ca 0.06 -3.58 -0.36 0.00 -0.77 0.00 0.00 57.85 53.21 1bhc n ARG 17 Cb 0.58 -1.72 -0.07 0.00 -1.02 0.00 0.00 32.46 30.24 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 -0.82 5.24 0.16 0.55 1.09 -0.35 -4.88 121.20 122.20 1bhc s ILE 18 Ca 0.33 0.07 -0.25 0.00 -1.10 0.00 0.00 60.65 59.70 1bhc s ILE 18 Cb 0.07 -3.29 -0.08 0.00 -1.06 0.00 0.00 42.46 38.10 1bhc s ILE 18 CO -0.15 0.58 0.76 -0.63 -0.10 0.00 0.00 174.94 175.40 1bhc s ILE 19 N -1.03 4.39 0.24 2.92 1.01 -1.26 0.10 121.20 127.58 1bhc s ILE 19 Ca 0.16 1.67 -0.02 0.00 0.00 0.00 0.00 60.65 62.45 1bhc s ILE 19 Cb -0.12 -4.12 -0.03 0.00 0.01 0.00 0.00 42.46 38.20 1bhc s ILE 19 CO 0.05 0.52 0.26 -0.13 0.00 0.00 0.00 174.94 175.64 1bhc s ARG 20 N -1.16 1.43 0.14 2.79 1.81 -0.28 -4.88 118.95 118.80 1bhc s ARG 20 Ca 0.35 -1.63 0.08 0.00 -1.72 0.00 0.00 55.73 52.81 1bhc s ARG 20 Cb -0.23 0.33 -0.04 0.00 -0.45 0.00 0.00 34.95 34.57 1bhc s ARG 20 CO 0.26 -0.52 -0.09 0.71 -0.68 0.00 0.00 175.30 174.97 1bhc s TYR 21 N -3.91 2.70 0.02 -0.53 2.02 -0.19 -1.04 117.35 116.43 1bhc s TYR 21 Ca 0.35 -0.18 -0.09 0.00 -0.37 0.00 0.00 57.07 56.78 1bhc s TYR 21 Cb 0.04 -1.37 0.01 0.00 -0.40 0.00 0.00 41.96 40.23 1bhc s TYR 21 CO 0.15 0.46 0.19 -0.59 -1.57 0.00 0.00 175.55 174.19 1bhc s PHE 22 N -1.43 0.02 -0.21 2.71 -0.71 -0.07 -0.80 117.98 117.50 1bhc s PHE 22 Ca 0.23 -0.14 -0.24 0.00 -1.04 0.00 0.00 56.93 55.73 1bhc s PHE 22 Cb -0.10 -0.02 -0.01 0.00 -1.21 0.00 0.00 43.02 41.68 1bhc s PHE 22 CO 0.15 -0.37 0.81 -0.47 -1.34 0.00 0.00 175.22 174.00 1bhc s TYR 23 N -1.92 3.37 -0.67 3.49 5.04 -1.26 -0.60 117.35 124.80 1bhc s TYR 23 Ca -0.10 1.17 -0.18 0.00 -2.44 0.00 0.00 57.07 55.52 1bhc s TYR 23 Cb -0.04 -3.01 0.13 0.00 0.35 0.00 0.00 41.96 39.39 1bhc s TYR 23 CO -0.00 -0.31 0.75 1.21 -1.34 0.00 0.00 175.55 175.85 1bhc s ASN 24 N 1.25 6.33 0.18 4.32 3.84 0.16 -4.77 114.94 126.25 1bhc s ASN 24 Ca 0.36 -1.76 -0.15 0.00 0.21 0.00 0.00 52.86 51.52 1bhc s ASN 24 Cb -0.16 -2.29 0.15 0.00 -0.55 0.00 0.00 41.25 38.40 1bhc s ASN 24 CO 0.10 -0.99 1.66 0.00 -2.79 0.00 0.00 177.10 175.08 1bhc h ALA 25 N 8.88 0.36 -0.93 1.71 0.00 -1.81 0.70 119.26 128.16 1bhc h ALA 25 Ca -0.17 0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.99 1bhc h ALA 25 Cb 1.07 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 19.12 1bhc h ALA 25 CO 1.04 -0.43 0.58 0.87 0.00 0.00 0.00 179.25 181.31 1bhc h LYS 26 N 0.03 0.99 0.00 0.00 1.57 -1.94 -1.30 116.57 115.92 1bhc h LYS 26 Ca 0.23 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1bhc h LYS 26 Cb 0.35 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1bhc h LYS 26 CO -0.46 0.65 -0.70 0.00 -0.57 0.00 0.00 179.45 178.38 1bhc h ALA 27 N 1.46 0.55 -5.76 3.86 0.00 -1.79 -3.48 119.26 114.10 1bhc h ALA 27 Ca 0.42 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.97 1bhc h ALA 27 Cb 0.27 0.00 0.15 0.00 0.00 0.00 0.00 17.79 18.21 1bhc h ALA 27 CO -0.21 0.00 -0.73 0.41 0.00 0.00 0.00 179.25 178.72 1bhc n GLY 28 N 1.32 -0.44 3.34 0.00 0.00 0.24 -4.99 105.19 104.66 1bhc n GLY 28 Ca 0.03 0.17 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 -6.78 0.22 0.04 0.99 1.98 -1.07 -4.99 118.68 109.06 1bhc s LEU 29 Ca 0.26 -0.04 -0.14 0.00 -2.89 0.00 0.00 54.13 51.31 1bhc s LEU 29 Cb -0.11 1.92 -0.06 0.00 0.66 0.00 0.00 46.19 48.60 1bhc s LEU 29 CO 0.73 -0.75 0.43 0.00 -1.89 0.00 0.00 176.35 174.88 1bhc s GLN 31 N -1.37 1.60 0.39 0.00 -0.21 0.24 -4.91 119.66 115.40 1bhc s GLN 31 Ca 0.28 -1.91 0.01 0.00 0.02 0.00 0.00 55.36 53.76 1bhc s GLN 31 Cb -0.16 -0.18 -0.02 0.00 1.00 0.00 0.00 33.01 33.65 1bhc s GLN 31 CO 0.15 -0.42 0.59 0.95 -2.12 0.00 0.00 175.29 174.44 1bhc s THR 32 N -3.59 4.46 0.10 -0.19 -4.23 -1.26 -0.89 115.64 110.06 1bhc s THR 32 Ca 0.35 -0.57 -0.25 0.00 -1.18 0.00 0.00 61.69 60.05 1bhc s THR 32 Cb 0.05 -3.63 0.07 0.00 1.34 0.00 0.00 72.50 70.34 1bhc s THR 32 CO 0.17 -0.40 0.65 0.72 -0.54 0.00 0.00 174.62 175.22 1bhc s PHE 33 N -2.40 -0.53 -0.23 3.99 -0.71 -0.20 -4.87 117.98 113.02 1bhc s PHE 33 Ca 0.44 0.44 -0.19 0.00 -1.04 0.00 0.00 56.93 56.58 1bhc s PHE 33 Cb -0.10 0.53 -0.03 0.00 -1.21 0.00 0.00 43.02 42.22 1bhc s PHE 33 CO 0.36 -0.77 0.56 0.08 -1.34 0.00 0.00 175.22 174.11 1bhc s VAL 34 N -3.26 5.05 -0.14 -2.49 1.01 -1.26 -1.12 120.40 118.19 1bhc s VAL 34 Ca -0.00 1.02 -0.07 0.00 0.00 0.00 0.00 61.98 62.93 1bhc s VAL 34 Cb -0.01 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1bhc s VAL 34 CO -0.09 0.10 0.10 -0.47 0.00 0.00 0.00 175.10 174.74 1bhc s TYR 35 N 2.08 3.43 -0.95 5.22 5.04 0.28 -4.46 117.35 127.99 1bhc s TYR 35 Ca 0.25 0.36 0.28 0.00 -2.44 0.00 0.00 57.07 55.51 1bhc s TYR 35 Cb -0.16 -1.98 1.14 0.00 0.35 0.00 0.00 41.96 41.31 1bhc s TYR 35 CO 0.09 0.51 1.88 0.41 -1.34 0.00 0.00 175.55 177.10 1bhc n GLY 36 N 2.55 -1.51 0.00 8.97 0.00 -0.07 -1.21 105.19 113.92 1bhc n GLY 36 Ca -0.18 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 1.38 0.58 3.38 -0.02 0.00 -1.26 -1.00 105.19 108.25 1bhc n GLY 37 Ca 0.07 0.00 -0.12 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 0.06 -5.13 -2.32 0.00 3.00 -1.26 -4.45 116.66 106.57 1bhc n ARG 39 Ca -0.17 0.66 -0.35 0.00 -0.01 0.00 0.00 57.85 57.98 1bhc n ARG 39 Cb 0.62 -5.28 -0.01 0.00 0.00 0.00 0.00 32.46 27.80 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 -3.62 2.74 0.46 7.54 0.00 -1.26 -4.81 121.76 122.81 1bhc s ALA 40 Ca 0.01 0.75 0.08 0.00 0.00 0.00 0.00 51.96 52.80 1bhc s ALA 40 Cb -0.00 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.81 1bhc s ALA 40 CO 0.80 -0.66 0.55 0.15 0.00 0.00 0.00 175.76 176.60 1bhc s LYS 41 N -3.31 2.60 0.38 0.00 1.02 -1.26 -5.04 119.74 114.14 1bhc s LYS 41 Ca 0.71 -1.46 0.06 0.00 0.02 0.00 0.00 55.97 55.30 1bhc s LYS 41 Cb -0.22 -2.58 0.75 0.00 -0.52 0.00 0.00 37.83 35.26 1bhc s LYS 41 CO 0.26 -0.39 1.99 0.00 -0.92 0.00 0.00 175.35 176.28 1bhc h ARG 42 N 0.66 0.56 -3.69 1.68 2.47 -1.97 -3.27 114.38 110.83 1bhc h ARG 42 Ca -0.38 -0.06 -0.73 0.00 -1.26 0.00 0.00 59.98 57.54 1bhc h ARG 42 Cb 1.28 -0.11 -0.10 0.00 -1.65 0.00 0.00 29.97 29.39 1bhc h ARG 42 CO 0.48 0.44 2.56 -1.71 0.56 0.00 0.00 179.97 182.31 1bhc n ASN 43 N -4.40 4.68 -3.27 7.04 5.15 -1.26 -4.73 115.26 118.47 1bhc n ASN 43 Ca 0.03 -2.98 -0.04 0.00 -0.60 0.00 0.00 54.58 50.99 1bhc n ASN 43 Cb 0.12 -1.56 -0.05 0.00 -0.53 0.00 0.00 39.78 37.76 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 1.89 -0.39 -0.07 1.20 3.84 -1.24 -4.62 114.94 115.56 1bhc s ASN 44 Ca 0.44 0.36 0.06 0.00 0.21 0.00 0.00 52.86 53.93 1bhc s ASN 44 Cb 0.12 1.52 -0.01 0.00 -0.55 0.00 0.00 41.25 42.33 1bhc s ASN 44 CO -0.04 -0.29 -0.24 -0.36 -2.79 0.00 0.00 177.10 173.37 1bhc s PHE 45 N 2.67 2.43 0.22 0.43 0.40 0.02 -4.94 117.98 119.21 1bhc s PHE 45 Ca 0.15 -0.78 0.00 0.00 -0.60 0.00 0.00 56.93 55.70 1bhc s PHE 45 Cb -0.15 -1.60 0.22 0.00 0.51 0.00 0.00 43.02 42.00 1bhc s PHE 45 CO -0.20 -0.26 1.57 -0.22 0.70 0.00 0.00 175.22 176.81 1bhc h LYS 46 N 6.20 0.44 -5.37 0.44 3.64 -1.93 -0.48 116.57 119.52 1bhc h LYS 46 Ca -0.29 -0.26 -0.64 0.00 -1.27 0.00 0.00 60.65 58.18 1bhc h LYS 46 Cb 1.19 0.02 -0.22 0.00 -0.41 0.00 0.00 32.23 32.81 1bhc h LYS 46 CO 0.47 0.85 -0.69 0.45 -2.27 0.00 0.00 179.45 178.26 1bhc s SER 47 N -6.89 4.66 0.22 4.20 0.15 -1.26 -4.76 113.70 110.01 1bhc s SER 47 Ca -0.06 -0.15 -0.09 0.00 0.70 0.00 0.00 55.95 56.35 1bhc s SER 47 Cb 0.12 -1.71 0.23 0.00 -1.71 0.00 0.00 66.02 62.96 1bhc s SER 47 CO 0.82 0.19 1.85 0.00 1.20 0.00 0.00 173.24 177.30 1bhc h ALA 48 N 6.57 1.00 -0.54 5.45 0.00 -1.98 -2.27 119.26 127.49 1bhc h ALA 48 Ca -0.32 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.66 1bhc h ALA 48 Cb 1.19 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 1bhc h ALA 48 CO 0.61 0.25 0.14 1.49 0.00 0.00 0.00 179.25 181.74 1bhc h GLU 49 N 0.91 0.27 -0.43 0.00 4.81 -1.98 -1.62 114.58 116.54 1bhc h GLU 49 Ca 0.31 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.47 1bhc h GLU 49 Cb 0.05 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1bhc h GLU 49 CO -0.13 0.18 0.04 -0.44 -0.73 0.00 0.00 179.01 177.94 1bhc h ASP 50 N 0.28 0.63 0.71 1.04 3.32 -1.85 -2.08 116.42 118.48 1bhc h ASP 50 Ca 0.27 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 1bhc h ASP 50 Cb 0.36 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 39.75 1bhc h ASP 50 CO -0.33 0.68 -0.34 0.00 -1.72 0.00 0.00 179.24 177.52 1bhc h MET 52 N -0.97 0.00 0.21 0.00 2.86 -1.38 0.81 114.93 116.46 1bhc h MET 52 Ca -0.10 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.22 1bhc h MET 52 Cb 0.73 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.43 1bhc h MET 52 CO 0.16 0.16 -1.40 -0.09 1.06 0.00 0.00 176.91 176.81 1bhc h ARG 53 N 0.00 0.53 0.01 1.72 2.43 -1.25 0.03 114.38 117.84 1bhc h ARG 53 Ca -0.00 -0.85 -0.17 0.00 -0.81 0.00 0.00 59.98 58.15 1bhc h ARG 53 Cb 0.44 0.31 0.01 0.00 -0.42 0.00 0.00 29.97 30.31 1bhc h ARG 53 CO 0.02 1.40 -0.66 1.15 -1.51 0.00 0.00 179.97 180.37 1bhc h THR 54 N 0.17 1.41 0.00 0.20 2.02 -0.86 -3.39 112.91 112.46 1bhc h THR 54 Ca -0.22 -2.12 -0.06 0.00 0.77 0.00 0.00 66.41 64.78 1bhc h THR 54 Cb 2.09 2.60 -0.01 0.00 -1.74 0.00 0.00 68.15 71.08 1bhc h THR 54 CO 0.26 0.62 -1.83 0.00 0.37 0.00 0.00 175.52 174.94