#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 0.17 0.12 2.89 -0.02 -1.26 -4.90 135.00 132.00 1bhc n PRO 2 Ca 0.00 0.10 -0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1bhc n PRO 2 Cb 0.00 -1.84 0.29 0.00 -0.02 0.00 0.00 33.50 31.93 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 -0.65 0.19 0.27 2.55 5.19 -2.03 -2.84 116.42 119.10 1bhc h ASP 3 Ca -0.45 -0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 55.89 1bhc h ASP 3 Cb 1.33 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 40.79 1bhc h ASP 3 CO 0.41 0.53 -0.03 2.19 -3.12 0.00 0.00 179.24 179.22 1bhc h PHE 4 N 0.17 0.00 0.00 4.55 -5.15 -1.98 -1.68 116.94 112.85 1bhc h PHE 4 Ca 0.02 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.79 1bhc h PHE 4 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.85 1bhc h PHE 4 CO 0.01 0.03 0.00 0.00 -2.00 0.00 0.00 178.31 176.34 1bhc n LEU 6 N -1.41 0.86 -4.77 0.00 7.99 -0.63 -4.43 117.00 114.61 1bhc n LEU 6 Ca 0.02 -0.39 -0.37 0.00 -0.01 0.00 0.00 56.01 55.25 1bhc n LEU 6 Cb 0.05 -0.03 -0.01 0.00 -0.11 0.00 0.00 43.42 43.31 1bhc n LEU 6 CO 0.04 0.21 0.83 -1.61 -1.51 0.00 0.00 177.39 175.36 1bhc s GLU 7 N -3.04 3.81 0.65 3.23 2.02 -0.29 -4.92 118.70 120.16 1bhc s GLU 7 Ca 0.07 1.80 -0.11 0.00 0.02 0.00 0.00 54.97 56.75 1bhc s GLU 7 Cb 0.16 -2.46 -0.02 0.00 0.10 0.00 0.00 34.13 31.91 1bhc s GLU 7 CO 0.85 -0.52 1.04 -1.25 0.02 0.00 0.00 175.26 175.41 1bhc s PRO 8 N -2.62 3.36 0.47 0.39 0.04 -1.26 -4.87 135.00 130.51 1bhc s PRO 8 Ca 0.62 0.76 -0.24 0.00 0.04 0.00 0.00 61.00 62.18 1bhc s PRO 8 Cb -0.29 -2.05 -0.07 0.00 0.04 0.00 0.00 34.50 32.12 1bhc s PRO 8 CO 0.36 -0.74 1.34 -1.25 0.04 0.00 0.00 177.00 176.74 1bhc s PRO 9 N -5.17 3.62 -0.24 0.56 0.04 -1.26 -4.94 135.00 127.60 1bhc s PRO 9 Ca 0.56 2.20 0.02 0.00 0.04 0.00 0.00 61.00 63.82 1bhc s PRO 9 Cb -0.12 -2.53 0.05 0.00 0.04 0.00 0.00 34.50 31.94 1bhc s PRO 9 CO 0.54 -0.80 -0.13 -0.47 0.04 0.00 0.00 177.00 176.19 1bhc s TYR 10 N -1.29 3.15 0.19 0.56 5.04 -1.26 -4.99 117.35 118.75 1bhc s TYR 10 Ca 0.63 -2.15 -0.02 0.00 -2.44 0.00 0.00 57.07 53.10 1bhc s TYR 10 Cb -0.39 -1.94 0.12 0.00 0.35 0.00 0.00 41.96 40.11 1bhc s TYR 10 CO 0.49 -0.86 1.50 1.15 -1.34 0.00 0.00 175.55 176.49 1bhc h THR 11 N 6.56 1.34 0.00 4.34 2.02 -1.96 -3.44 112.91 121.78 1bhc h THR 11 Ca -0.25 -1.89 0.00 0.00 0.77 0.00 0.00 66.41 65.03 1bhc h THR 11 Cb 1.06 1.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.36 1bhc h THR 11 CO 0.51 0.58 0.00 0.61 0.37 0.00 0.00 175.52 177.58 1bhc n GLY 12 N 0.32 -0.91 0.25 2.16 0.00 -1.26 0.13 105.19 105.88 1bhc n GLY 12 Ca -0.03 -1.66 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 -7.32 1.61 0.13 -1.92 -3.43 132.00 121.07 1bhc h PRO 13 Ca 0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 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 0.04 0.30 0.00 -0.23 0.00 0.00 178.00 178.10 1bhc n LYS 15 N -3.64 0.98 -1.49 0.00 -0.00 -1.20 -4.49 118.16 108.32 1bhc n LYS 15 Ca 0.09 -0.63 -0.30 0.00 -0.00 0.00 0.00 58.31 57.47 1bhc n LYS 15 Cb 0.53 -1.49 0.10 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 -2.45 2.10 -0.52 0.58 0.00 0.23 -5.02 121.76 116.68 1bhc s ALA 16 Ca 0.24 -0.19 0.05 0.00 0.00 0.00 0.00 51.96 52.06 1bhc s ALA 16 Cb 0.19 -3.12 0.19 0.00 0.00 0.00 0.00 23.12 20.38 1bhc s ALA 16 CO 0.51 -1.87 0.45 0.54 0.00 0.00 0.00 175.76 175.39 1bhc n ARG 17 N -3.53 0.98 -4.16 0.00 1.74 -1.26 -3.97 116.66 106.47 1bhc n ARG 17 Ca 0.07 -3.73 -0.34 0.00 -0.77 0.00 0.00 57.85 53.08 1bhc n ARG 17 Cb 0.56 -1.86 -0.08 0.00 -1.02 0.00 0.00 32.46 30.06 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 -0.80 4.69 0.03 0.55 1.09 -0.55 -4.90 121.20 121.31 1bhc s ILE 18 Ca 0.31 -0.29 -0.27 0.00 -1.10 0.00 0.00 60.65 59.31 1bhc s ILE 18 Cb 0.04 -3.08 -0.05 0.00 -1.06 0.00 0.00 42.46 38.31 1bhc s ILE 18 CO -0.16 0.46 0.83 -0.63 -0.10 0.00 0.00 174.94 175.34 1bhc s ILE 19 N -1.08 4.76 0.18 2.92 1.01 -1.26 0.48 121.20 128.21 1bhc s ILE 19 Ca 0.19 1.76 -0.00 0.00 0.00 0.00 0.00 60.65 62.59 1bhc s ILE 19 Cb -0.12 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 1bhc s ILE 19 CO 0.09 0.30 0.08 -0.13 0.00 0.00 0.00 174.94 175.29 1bhc s ARG 20 N 0.26 1.13 0.07 2.79 1.81 -0.40 -4.91 118.95 119.71 1bhc s ARG 20 Ca 0.42 -1.58 0.05 0.00 -1.72 0.00 0.00 55.73 52.91 1bhc s ARG 20 Cb -0.21 0.09 -0.04 0.00 -0.45 0.00 0.00 34.95 34.35 1bhc s ARG 20 CO 0.24 -0.29 -0.07 0.71 -0.68 0.00 0.00 175.30 175.21 1bhc s TYR 21 N -3.98 2.83 0.02 -0.53 2.02 -0.09 -1.03 117.35 116.60 1bhc s TYR 21 Ca 0.32 -0.09 -0.05 0.00 -0.37 0.00 0.00 57.07 56.88 1bhc s TYR 21 Cb 0.07 -1.51 -0.01 0.00 -0.40 0.00 0.00 41.96 40.11 1bhc s TYR 21 CO 0.08 0.41 0.08 -0.59 -1.57 0.00 0.00 175.55 173.96 1bhc s PHE 22 N -1.15 0.15 -0.22 2.71 -0.71 -0.33 -0.23 117.98 118.19 1bhc s PHE 22 Ca 0.21 -0.34 -0.24 0.00 -1.04 0.00 0.00 56.93 55.51 1bhc s PHE 22 Cb -0.11 -0.12 -0.01 0.00 -1.21 0.00 0.00 43.02 41.57 1bhc s PHE 22 CO 0.12 -0.27 0.80 -0.47 -1.34 0.00 0.00 175.22 174.06 1bhc s TYR 23 N -1.69 3.34 -0.64 3.49 5.04 -1.26 -0.79 117.35 124.83 1bhc s TYR 23 Ca -0.13 1.12 -0.17 0.00 -2.44 0.00 0.00 57.07 55.46 1bhc s TYR 23 Cb -0.07 -3.01 0.14 0.00 0.35 0.00 0.00 41.96 39.38 1bhc s TYR 23 CO -0.01 -0.34 0.66 1.21 -1.34 0.00 0.00 175.55 175.73 1bhc s ASN 24 N 1.30 6.34 0.19 4.32 3.84 0.52 -4.76 114.94 126.69 1bhc s ASN 24 Ca 0.34 -1.90 -0.13 0.00 0.21 0.00 0.00 52.86 51.38 1bhc s ASN 24 Cb -0.16 -2.25 0.19 0.00 -0.55 0.00 0.00 41.25 38.49 1bhc s ASN 24 CO 0.09 -0.89 1.69 0.00 -2.79 0.00 0.00 177.10 175.21 1bhc h ALA 25 N 8.73 0.50 -0.77 1.71 0.00 -1.82 0.60 119.26 128.21 1bhc h ALA 25 Ca -0.18 0.13 0.09 0.00 0.00 0.00 0.00 54.91 54.95 1bhc h ALA 25 Cb 1.08 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 1bhc h ALA 25 CO 1.00 -0.36 0.51 0.87 0.00 0.00 0.00 179.25 181.26 1bhc h LYS 26 N 0.15 0.71 0.00 0.00 1.57 -1.95 -1.62 116.57 115.43 1bhc h LYS 26 Ca 0.25 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1bhc h LYS 26 Cb 0.37 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1bhc h LYS 26 CO -0.39 0.47 -1.10 0.00 -0.57 0.00 0.00 179.45 177.86 1bhc n ALA 27 N -2.45 2.80 -3.41 3.86 0.00 -0.72 -4.97 120.51 115.61 1bhc n ALA 27 Ca 0.13 -0.31 -0.19 0.00 0.00 0.00 0.00 53.44 53.06 1bhc n ALA 27 Cb 0.30 -1.04 0.07 0.00 0.00 0.00 0.00 19.45 18.79 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 1.25 -0.35 3.27 0.00 0.00 0.20 -4.99 105.19 104.57 1bhc n GLY 28 Ca 0.00 0.12 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 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 -6.40 0.78 0.03 0.99 1.98 -1.05 -5.00 118.68 110.01 1bhc s LEU 29 Ca 0.34 -0.30 -0.13 0.00 -2.89 0.00 0.00 54.13 51.15 1bhc s LEU 29 Cb -0.15 1.49 -0.06 0.00 0.66 0.00 0.00 46.19 48.13 1bhc s LEU 29 CO 0.65 -0.72 0.41 0.00 -1.89 0.00 0.00 176.35 174.81 1bhc s GLN 31 N -1.38 1.60 0.39 0.00 -0.21 0.03 -4.92 119.66 115.18 1bhc s GLN 31 Ca 0.27 -1.91 0.01 0.00 0.02 0.00 0.00 55.36 53.76 1bhc s GLN 31 Cb -0.16 -0.26 -0.01 0.00 1.00 0.00 0.00 33.01 33.58 1bhc s GLN 31 CO 0.15 -0.40 0.59 0.95 -2.12 0.00 0.00 175.29 174.46 1bhc s THR 32 N -3.57 4.43 0.07 -0.19 -4.23 -1.26 -1.19 115.64 109.70 1bhc s THR 32 Ca 0.35 -0.58 -0.26 0.00 -1.18 0.00 0.00 61.69 60.02 1bhc s THR 32 Cb 0.06 -3.61 0.08 0.00 1.34 0.00 0.00 72.50 70.37 1bhc s THR 32 CO 0.16 -0.38 0.70 0.72 -0.54 0.00 0.00 174.62 175.28 1bhc s PHE 33 N -2.40 -0.50 -0.34 3.99 -0.71 -0.19 -4.87 117.98 112.95 1bhc s PHE 33 Ca 0.44 0.44 -0.20 0.00 -1.04 0.00 0.00 56.93 56.57 1bhc s PHE 33 Cb -0.10 0.53 -0.00 0.00 -1.21 0.00 0.00 43.02 42.24 1bhc s PHE 33 CO 0.36 -0.72 0.62 0.08 -1.34 0.00 0.00 175.22 174.23 1bhc s VAL 34 N -3.09 4.91 -0.04 -2.49 1.01 -1.26 -1.27 120.40 118.18 1bhc s VAL 34 Ca 0.00 0.65 -0.15 0.00 0.00 0.00 0.00 61.98 62.47 1bhc s VAL 34 Cb -0.01 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 1bhc s VAL 34 CO -0.08 -0.26 0.41 -0.47 0.00 0.00 0.00 175.10 174.71 1bhc s TYR 35 N 2.66 3.66 -0.55 5.22 5.04 0.18 -4.43 117.35 129.12 1bhc s TYR 35 Ca 0.24 0.94 0.26 0.00 -2.44 0.00 0.00 57.07 56.07 1bhc s TYR 35 Cb -0.15 -2.35 0.76 0.00 0.35 0.00 0.00 41.96 40.57 1bhc s TYR 35 CO 0.14 0.51 1.74 0.78 -1.34 0.00 0.00 175.55 177.38 1bhc h GLY 36 N 5.28 0.00 0.00 8.97 0.00 -0.44 -1.46 103.07 115.42 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 0.66 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.81 1bhc n GLY 37 N 0.97 0.79 3.38 4.60 0.00 -1.26 -0.60 105.19 113.08 1bhc n GLY 37 Ca 0.04 0.00 -0.10 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 -0.26 -5.39 -2.24 0.00 3.00 -1.26 -4.47 116.66 106.04 1bhc n ARG 39 Ca -0.13 0.64 -0.36 0.00 -0.01 0.00 0.00 57.85 57.99 1bhc n ARG 39 Cb 0.63 -5.35 0.00 0.00 0.00 0.00 0.00 32.46 27.74 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 -3.52 2.75 0.47 7.54 0.00 -1.26 -4.79 121.76 122.95 1bhc s ALA 40 Ca 0.24 0.87 0.08 0.00 0.00 0.00 0.00 51.96 53.15 1bhc s ALA 40 Cb -0.12 -3.37 0.03 0.00 0.00 0.00 0.00 23.12 19.66 1bhc s ALA 40 CO 0.81 -0.78 0.58 0.15 0.00 0.00 0.00 175.76 176.53 1bhc s LYS 41 N -3.16 2.58 0.33 0.00 1.02 -1.26 -5.03 119.74 114.22 1bhc s LYS 41 Ca 0.71 -1.47 0.01 0.00 0.02 0.00 0.00 55.97 55.24 1bhc s LYS 41 Cb -0.25 -2.60 0.58 0.00 -0.52 0.00 0.00 37.83 35.04 1bhc s LYS 41 CO 0.29 -0.45 1.98 0.00 -0.92 0.00 0.00 175.35 176.25 1bhc h ARG 42 N 0.59 0.91 -3.94 1.68 2.47 -1.97 -3.28 114.38 110.84 1bhc h ARG 42 Ca -0.37 -0.05 -0.72 0.00 -1.26 0.00 0.00 59.98 57.57 1bhc h ARG 42 Cb 1.28 -0.21 -0.07 0.00 -1.65 0.00 0.00 29.97 29.32 1bhc h ARG 42 CO 0.47 0.60 2.79 -1.71 0.56 0.00 0.00 179.97 182.68 1bhc n ASN 43 N -4.44 4.25 -3.21 7.04 2.85 -1.26 -4.73 115.26 115.76 1bhc n ASN 43 Ca 0.08 -2.92 -0.00 0.00 -0.11 0.00 0.00 54.58 51.63 1bhc n ASN 43 Cb 0.07 -1.61 -0.03 0.00 1.24 0.00 0.00 39.78 39.45 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 2.60 -0.90 -0.07 1.20 3.84 -1.24 -4.62 114.94 115.76 1bhc s ASN 44 Ca 0.45 0.52 0.05 0.00 0.21 0.00 0.00 52.86 54.10 1bhc s ASN 44 Cb 0.12 1.81 -0.01 0.00 -0.55 0.00 0.00 41.25 42.63 1bhc s ASN 44 CO -0.06 -0.28 -0.23 -0.36 -2.79 0.00 0.00 177.10 173.38 1bhc s PHE 45 N 2.76 2.49 0.22 0.43 0.40 0.67 -4.93 117.98 120.02 1bhc s PHE 45 Ca 0.16 -0.71 0.05 0.00 -0.60 0.00 0.00 56.93 55.83 1bhc s PHE 45 Cb -0.14 -1.63 0.18 0.00 0.51 0.00 0.00 43.02 41.95 1bhc s PHE 45 CO -0.21 -0.21 1.51 -0.22 0.70 0.00 0.00 175.22 176.79 1bhc h LYS 46 N 6.11 0.19 -5.33 0.44 3.64 -1.92 -0.19 116.57 119.50 1bhc h LYS 46 Ca -0.31 -0.15 -0.65 0.00 -1.27 0.00 0.00 60.65 58.27 1bhc h LYS 46 Cb 1.18 0.03 -0.24 0.00 -0.41 0.00 0.00 32.23 32.79 1bhc h LYS 46 CO 0.48 0.80 -0.72 0.45 -2.27 0.00 0.00 179.45 178.19 1bhc s SER 47 N -6.89 4.41 0.25 4.20 0.15 -1.26 -4.79 113.70 109.76 1bhc s SER 47 Ca -0.03 -0.22 -0.06 0.00 0.70 0.00 0.00 55.95 56.33 1bhc s SER 47 Cb 0.12 -1.69 0.25 0.00 -1.71 0.00 0.00 66.02 62.99 1bhc s SER 47 CO 0.80 0.17 1.89 0.00 1.20 0.00 0.00 173.24 177.30 1bhc h ALA 48 N 6.67 1.23 -0.51 5.45 0.00 -1.98 -2.22 119.26 127.90 1bhc h ALA 48 Ca -0.29 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.59 1bhc h ALA 48 Cb 1.20 -0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 1bhc h ALA 48 CO 0.59 0.66 0.18 1.49 0.00 0.00 0.00 179.25 182.17 1bhc h GLU 49 N 1.28 0.34 -0.89 0.00 4.81 -1.98 -1.81 114.58 116.33 1bhc h GLU 49 Ca 0.33 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.53 1bhc h GLU 49 Cb -0.05 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.21 1bhc h GLU 49 CO -0.06 0.23 0.49 -0.44 -0.73 0.00 0.00 179.01 178.50 1bhc h ASP 50 N 0.35 1.12 0.62 1.04 3.32 -1.84 -2.07 116.42 118.96 1bhc h ASP 50 Ca 0.25 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1bhc h ASP 50 Cb 0.27 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1bhc h ASP 50 CO -0.26 0.89 -0.39 0.00 -1.72 0.00 0.00 179.24 177.77 1bhc h MET 52 N -0.96 0.00 0.16 0.00 2.86 -1.36 0.95 114.93 116.58 1bhc h MET 52 Ca -0.08 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.26 1bhc h MET 52 Cb 0.78 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.45 1bhc h MET 52 CO 0.07 0.11 -1.38 -0.09 1.06 0.00 0.00 176.91 176.68 1bhc h ARG 53 N 0.00 0.33 0.13 1.72 2.43 -1.10 0.71 114.38 118.60 1bhc h ARG 53 Ca -0.00 -0.57 -0.24 0.00 -0.81 0.00 0.00 59.98 58.36 1bhc h ARG 53 Cb 0.35 0.21 0.03 0.00 -0.42 0.00 0.00 29.97 30.13 1bhc h ARG 53 CO 0.01 1.25 -1.02 1.15 -1.51 0.00 0.00 179.97 179.85 1bhc h THR 54 N 0.09 1.39 0.00 0.20 2.02 -0.60 -3.39 112.91 112.62 1bhc h THR 54 Ca -0.19 -2.46 -0.02 0.00 0.77 0.00 0.00 66.41 64.50 1bhc h THR 54 Cb 2.03 2.92 -0.00 0.00 -1.74 0.00 0.00 68.15 71.36 1bhc h THR 54 CO 0.21 0.72 -1.73 0.00 0.37 0.00 0.00 175.52 175.09