#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fy8 n PRO 2 N 0.00 1.55 -0.12 2.89 -0.02 -1.26 -4.93 135.00 133.10 1fy8 n PRO 2 Ca 0.00 0.58 0.02 0.00 -2.02 0.00 0.00 63.50 62.08 1fy8 n PRO 2 Cb 0.00 -2.57 0.32 0.00 -0.02 0.00 0.00 33.50 31.24 1fy8 n PRO 2 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1fy8 h ASP 3 N 1.20 0.69 0.33 2.55 2.03 -2.01 -2.52 116.42 118.69 1fy8 h ASP 3 Ca -0.51 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 55.77 1fy8 h ASP 3 Cb 1.31 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 39.64 1fy8 h ASP 3 CO 0.56 0.50 0.00 2.19 -1.03 0.00 0.00 179.24 181.46 1fy8 h PHE 4 N 0.82 0.00 0.00 4.15 -5.15 -1.98 -1.47 116.94 113.31 1fy8 h PHE 4 Ca 0.22 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.97 1fy8 h PHE 4 Cb -0.09 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.08 1fy8 h PHE 4 CO 0.00 0.00 -0.10 0.00 -2.00 0.00 0.00 178.31 176.21 1fy8 n LEU 6 N -3.17 1.96 -4.80 0.00 4.77 -0.55 -4.56 117.00 110.65 1fy8 n LEU 6 Ca 0.02 -0.65 -0.36 0.00 -0.03 0.00 0.00 56.01 54.99 1fy8 n LEU 6 Cb 0.45 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.46 1fy8 n LEU 6 CO 0.32 0.33 0.58 -1.61 -1.33 0.00 0.00 177.39 175.69 1fy8 s GLU 7 N -2.13 4.40 0.72 3.23 0.41 -1.10 -4.95 118.70 119.28 1fy8 s GLU 7 Ca 0.31 1.14 -0.15 0.00 -0.41 0.00 0.00 54.97 55.86 1fy8 s GLU 7 Cb 0.20 -2.67 0.03 0.00 -1.78 0.00 0.00 34.13 29.92 1fy8 s GLU 7 CO 0.38 0.23 1.17 -1.25 -0.49 0.00 0.00 175.26 175.30 1fy8 s PRO 8 N -2.32 2.29 0.46 0.39 0.04 -1.26 -4.93 135.00 129.66 1fy8 s PRO 8 Ca 0.51 1.62 -0.24 0.00 0.04 0.00 0.00 61.00 62.93 1fy8 s PRO 8 Cb -0.16 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.44 1fy8 s PRO 8 CO 0.21 -1.69 1.34 -1.25 0.04 0.00 0.00 177.00 175.64 1fy8 s PRO 9 N -4.03 3.66 -0.34 0.56 0.04 -1.26 -4.98 135.00 128.65 1fy8 s PRO 9 Ca 0.71 2.21 -0.03 0.00 0.04 0.00 0.00 61.00 63.93 1fy8 s PRO 9 Cb -0.26 -2.57 0.07 0.00 0.04 0.00 0.00 34.50 31.78 1fy8 s PRO 9 CO 0.45 -0.77 0.09 -0.47 0.04 0.00 0.00 177.00 176.34 1fy8 s TYR 10 N -1.29 3.36 0.18 0.56 5.04 -1.26 -4.98 117.35 118.96 1fy8 s TYR 10 Ca 0.62 -1.92 -0.10 0.00 -2.44 0.00 0.00 57.07 53.23 1fy8 s TYR 10 Cb -0.39 -2.49 0.07 0.00 0.35 0.00 0.00 41.96 39.50 1fy8 s TYR 10 CO 0.49 -0.84 1.67 1.15 -1.34 0.00 0.00 175.55 176.69 1fy8 h THR 11 N 6.36 1.26 0.00 4.34 2.02 -1.94 -3.43 112.91 121.51 1fy8 h THR 11 Ca -0.19 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 66.01 1fy8 h THR 11 Cb 1.06 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1fy8 h THR 11 CO 0.60 0.36 0.00 0.61 0.37 0.00 0.00 175.52 177.46 1fy8 n GLY 12 N -0.58 -0.35 0.20 2.16 0.00 -1.26 0.02 105.19 105.38 1fy8 n GLY 12 Ca 0.03 -1.77 0.12 0.00 0.00 0.00 0.00 46.02 44.41 1fy8 n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fy8 h PRO 13 N 0.00 0.00 -7.17 1.61 0.13 -1.94 -3.44 132.00 121.19 1fy8 h PRO 13 Ca 0.00 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.64 1fy8 h PRO 13 Cb 0.00 0.00 0.07 0.00 0.13 0.00 0.00 31.00 31.20 1fy8 h PRO 13 CO 0.00 0.00 0.38 0.00 -0.23 0.00 0.00 178.00 178.15 1fy8 n LYS 15 N -1.91 2.66 -2.32 0.00 5.02 -1.22 -4.26 118.16 116.13 1fy8 n LYS 15 Ca 0.09 -3.44 -0.26 0.00 -2.02 0.00 0.00 58.31 52.69 1fy8 n LYS 15 Cb 0.52 -2.17 0.11 0.00 -0.02 0.00 0.00 35.03 33.48 1fy8 n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fy8 s ALA 16 N -3.57 3.20 -0.44 7.82 0.00 0.26 -5.05 121.76 123.99 1fy8 s ALA 16 Ca 0.56 -1.37 0.02 0.00 0.00 0.00 0.00 51.96 51.17 1fy8 s ALA 16 Cb 0.46 -2.36 0.14 0.00 0.00 0.00 0.00 23.12 21.36 1fy8 s ALA 16 CO 0.02 -1.63 0.25 0.50 0.00 0.00 0.00 175.76 174.90 1fy8 s ARG 17 N -5.34 1.25 -0.18 0.00 3.52 -1.26 -4.26 118.95 112.68 1fy8 s ARG 17 Ca 0.66 -1.99 -0.01 0.00 -0.13 0.00 0.00 55.73 54.26 1fy8 s ARG 17 Cb -0.07 -2.25 -0.00 0.00 -1.56 0.00 0.00 34.95 31.07 1fy8 s ARG 17 CO 0.46 -1.18 -0.13 0.42 -0.81 0.00 0.00 175.30 174.07 1fy8 s ILE 18 N 0.35 2.81 -0.20 4.11 1.01 -0.56 -4.96 121.20 123.77 1fy8 s ILE 18 Ca 0.18 -0.70 -0.27 0.00 0.00 0.00 0.00 60.65 59.86 1fy8 s ILE 18 Cb -0.23 -2.22 -0.00 0.00 0.01 0.00 0.00 42.46 40.02 1fy8 s ILE 18 CO -0.01 0.49 0.94 -0.63 0.00 0.00 0.00 174.94 175.73 1fy8 s ILE 19 N 1.04 4.78 0.36 2.92 -1.09 -1.26 0.18 121.20 128.13 1fy8 s ILE 19 Ca -0.01 1.83 0.04 0.00 -2.23 0.00 0.00 60.65 60.28 1fy8 s ILE 19 Cb -0.15 -4.23 -0.05 0.00 -1.58 0.00 0.00 42.46 36.46 1fy8 s ILE 19 CO -0.03 -0.08 0.07 -0.13 -1.23 0.00 0.00 174.94 173.55 1fy8 s ARG 20 N 2.67 1.76 0.09 2.79 1.81 -0.64 -4.96 118.95 122.48 1fy8 s ARG 20 Ca 0.41 -2.01 0.05 0.00 -1.72 0.00 0.00 55.73 52.46 1fy8 s ARG 20 Cb -0.16 -0.85 -0.04 0.00 -0.45 0.00 0.00 34.95 33.45 1fy8 s ARG 20 CO 0.10 -0.27 -0.02 0.71 -0.68 0.00 0.00 175.30 175.13 1fy8 s TYR 21 N -3.24 2.94 -0.02 -0.53 1.51 0.99 -1.47 117.35 117.53 1fy8 s TYR 21 Ca 0.31 -0.05 -0.05 0.00 -1.01 0.00 0.00 57.07 56.27 1fy8 s TYR 21 Cb 0.07 -1.51 0.00 0.00 -0.11 0.00 0.00 41.96 40.41 1fy8 s TYR 21 CO 0.15 0.47 0.12 -0.59 -1.11 0.00 0.00 175.55 174.58 1fy8 s PHE 22 N -1.29 -0.02 -0.16 2.71 -0.71 -0.38 0.20 117.98 118.33 1fy8 s PHE 22 Ca 0.25 0.05 -0.28 0.00 -1.04 0.00 0.00 56.93 55.91 1fy8 s PHE 22 Cb -0.12 -0.02 -0.01 0.00 -1.21 0.00 0.00 43.02 41.67 1fy8 s PHE 22 CO 0.17 -0.17 0.97 -0.47 -1.34 0.00 0.00 175.22 174.38 1fy8 s TYR 23 N -0.71 3.43 -0.48 3.49 5.04 -1.26 -1.20 117.35 125.66 1fy8 s TYR 23 Ca -0.08 1.47 -0.16 0.00 -2.44 0.00 0.00 57.07 55.86 1fy8 s TYR 23 Cb -0.05 -3.17 0.08 0.00 0.35 0.00 0.00 41.96 39.17 1fy8 s TYR 23 CO 0.01 -0.31 0.42 1.21 -1.34 0.00 0.00 175.55 175.53 1fy8 s ASN 24 N 1.15 6.16 0.10 4.32 3.84 0.22 -4.77 114.94 125.94 1fy8 s ASN 24 Ca 0.44 -1.37 -0.28 0.00 0.21 0.00 0.00 52.86 51.87 1fy8 s ASN 24 Cb -0.17 -2.19 -0.12 0.00 -0.55 0.00 0.00 41.25 38.22 1fy8 s ASN 24 CO 0.13 -0.68 1.66 0.00 -2.79 0.00 0.00 177.10 175.41 1fy8 h ALA 25 N 8.78 -0.47 -0.96 1.71 0.00 -1.81 0.77 119.26 127.28 1fy8 h ALA 25 Ca -0.29 -0.07 0.22 0.00 0.00 0.00 0.00 54.91 54.77 1fy8 h ALA 25 Cb 1.11 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 19.13 1fy8 h ALA 25 CO 0.90 -0.79 0.62 -0.22 0.00 0.00 0.00 179.25 179.76 1fy8 h LYS 26 N -0.49 0.43 0.00 0.00 3.64 -1.95 0.33 116.57 118.52 1fy8 h LYS 26 Ca -0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1fy8 h LYS 26 Cb 0.45 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1fy8 h LYS 26 CO -0.04 0.28 -0.94 0.00 -2.27 0.00 0.00 179.45 176.48 1fy8 n ALA 27 N -2.49 3.08 -1.11 5.00 0.00 -0.94 -4.96 120.51 119.09 1fy8 n ALA 27 Ca 0.21 -0.33 -0.04 0.00 0.00 0.00 0.00 53.44 53.28 1fy8 n ALA 27 Cb 0.74 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 19.13 1fy8 n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fy8 n GLY 28 N 1.32 0.64 3.57 0.00 0.00 0.26 -4.99 105.19 106.00 1fy8 n GLY 28 Ca 0.02 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.55 1fy8 n GLY 28 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1fy8 s LEU 29 N -0.85 0.57 -0.05 0.99 0.05 -0.76 -4.95 118.68 113.68 1fy8 s LEU 29 Ca 0.00 -1.19 -0.20 0.00 0.05 0.00 0.00 54.13 52.79 1fy8 s LEU 29 Cb 0.00 1.75 -0.05 0.00 -2.05 0.00 0.00 46.19 45.84 1fy8 s LEU 29 CO 0.00 -1.26 0.58 0.00 -0.55 0.00 0.00 176.35 175.12 1fy8 n GLN 31 N 3.24 0.65 -4.05 0.00 6.02 -0.35 -4.92 117.38 117.97 1fy8 n GLN 31 Ca -0.06 -3.17 -0.26 0.00 -0.01 0.00 0.00 57.00 53.50 1fy8 n GLN 31 Cb 0.51 1.61 -0.05 0.00 1.02 0.00 0.00 30.24 33.34 1fy8 n GLN 31 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1fy8 s THR 32 N -2.91 4.70 0.19 5.09 -4.23 -1.26 -1.25 115.64 115.97 1fy8 s THR 32 Ca 0.17 -0.97 -0.13 0.00 -1.18 0.00 0.00 61.69 59.57 1fy8 s THR 32 Cb 0.01 -3.40 0.01 0.00 1.34 0.00 0.00 72.50 70.46 1fy8 s THR 32 CO 0.12 -0.10 0.42 0.72 -0.54 0.00 0.00 174.62 175.24 1fy8 s PHE 33 N -1.74 0.14 -0.29 3.99 -0.71 -0.54 -4.92 117.98 113.91 1fy8 s PHE 33 Ca 0.32 -0.50 -0.15 0.00 -1.04 0.00 0.00 56.93 55.56 1fy8 s PHE 33 Cb -0.10 0.19 -0.03 0.00 -1.21 0.00 0.00 43.02 41.86 1fy8 s PHE 33 CO 0.25 -0.84 0.38 0.08 -1.34 0.00 0.00 175.22 173.75 1fy8 s VAL 34 N -3.93 5.16 -0.12 -2.49 1.01 -1.26 -1.62 120.40 117.16 1fy8 s VAL 34 Ca 0.14 0.44 -0.10 0.00 0.00 0.00 0.00 61.98 62.46 1fy8 s VAL 34 Cb 0.01 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 1fy8 s VAL 34 CO -0.01 0.07 0.20 -0.47 0.00 0.00 0.00 175.10 174.89 1fy8 s TYR 35 N 2.09 3.57 -0.66 5.22 5.04 0.13 -4.39 117.35 128.35 1fy8 s TYR 35 Ca 0.15 0.58 0.25 0.00 -2.44 0.00 0.00 57.07 55.60 1fy8 s TYR 35 Cb -0.16 -2.08 0.90 0.00 0.35 0.00 0.00 41.96 40.98 1fy8 s TYR 35 CO 0.11 0.59 1.74 0.41 -1.34 0.00 0.00 175.55 177.06 1fy8 n GLY 36 N 2.37 -1.47 0.00 8.97 0.00 0.10 -1.50 105.19 113.67 1fy8 n GLY 36 Ca -0.17 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1fy8 n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fy8 n GLY 37 N 0.69 0.74 3.33 -0.02 0.00 -1.26 -0.57 105.19 108.09 1fy8 n GLY 37 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 1fy8 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fy8 n ARG 39 N 0.30 -6.62 -1.77 0.00 1.74 -1.26 -4.50 116.66 104.55 1fy8 n ARG 39 Ca -0.18 0.75 -0.38 0.00 -0.77 0.00 0.00 57.85 57.27 1fy8 n ARG 39 Cb 0.61 -5.68 0.04 0.00 -1.02 0.00 0.00 32.46 26.41 1fy8 n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1fy8 s ALA 40 N -3.39 2.78 0.62 7.54 0.00 -1.26 -4.86 121.76 123.19 1fy8 s ALA 40 Ca 0.35 1.33 0.06 0.00 0.00 0.00 0.00 51.96 53.71 1fy8 s ALA 40 Cb -0.16 -3.57 0.10 0.00 0.00 0.00 0.00 23.12 19.48 1fy8 s ALA 40 CO 0.76 -1.41 0.85 0.15 0.00 0.00 0.00 175.76 176.11 1fy8 s LYS 41 N -2.95 2.12 0.39 0.00 1.02 -1.26 -5.02 119.74 114.04 1fy8 s LYS 41 Ca 0.73 -1.46 0.19 0.00 0.02 0.00 0.00 55.97 55.44 1fy8 s LYS 41 Cb -0.40 -2.55 0.78 0.00 -0.52 0.00 0.00 37.83 35.13 1fy8 s LYS 41 CO 0.47 -1.03 1.79 0.00 -0.92 0.00 0.00 175.35 175.67 1fy8 h ARG 42 N -0.03 0.00 -3.26 1.68 3.08 -1.96 -3.30 114.38 110.59 1fy8 h ARG 42 Ca -0.32 0.00 -0.71 0.00 0.07 0.00 0.00 59.98 59.02 1fy8 h ARG 42 Cb 1.28 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.28 1fy8 h ARG 42 CO 0.41 0.35 3.05 -1.71 -1.07 0.00 0.00 179.97 180.99 1fy8 n ASN 43 N -3.65 6.73 -3.34 7.04 5.15 -1.26 -4.70 115.26 121.23 1fy8 n ASN 43 Ca -0.01 -2.86 -0.07 0.00 -0.60 0.00 0.00 54.58 51.05 1fy8 n ASN 43 Cb 0.46 -1.53 -0.07 0.00 -0.53 0.00 0.00 39.78 38.11 1fy8 n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1fy8 s ASN 44 N 1.81 -0.07 0.05 1.20 3.84 -1.25 -4.56 114.94 115.96 1fy8 s ASN 44 Ca 0.55 0.39 0.07 0.00 0.21 0.00 0.00 52.86 54.08 1fy8 s ASN 44 Cb 0.16 1.31 -0.03 0.00 -0.55 0.00 0.00 41.25 42.14 1fy8 s ASN 44 CO -0.06 -0.29 -0.20 -0.36 -2.79 0.00 0.00 177.10 173.40 1fy8 s PHE 45 N 2.60 1.76 -0.60 0.43 0.40 0.13 -4.92 117.98 117.79 1fy8 s PHE 45 Ca 0.13 -0.37 0.25 0.00 -0.60 0.00 0.00 56.93 56.34 1fy8 s PHE 45 Cb -0.15 -1.04 0.87 0.00 0.51 0.00 0.00 43.02 43.21 1fy8 s PHE 45 CO -0.16 0.09 1.75 0.87 0.70 0.00 0.00 175.22 178.47 1fy8 h LYS 46 N 4.85 0.00 -3.58 0.44 1.57 -1.94 0.28 116.57 118.19 1fy8 h LYS 46 Ca -0.42 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.23 1fy8 h LYS 46 Cb 1.16 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.29 1fy8 h LYS 46 CO 0.44 0.00 -0.45 -1.54 -0.57 0.00 0.00 179.45 177.33 1fy8 s SER 47 N -4.54 0.06 0.17 0.86 1.04 -1.26 -4.84 113.70 105.19 1fy8 s SER 47 Ca 0.08 -0.35 -0.10 0.00 0.48 0.00 0.00 55.95 56.06 1fy8 s SER 47 Cb 0.11 0.25 0.06 0.00 0.10 0.00 0.00 66.02 66.53 1fy8 s SER 47 CO 0.52 -0.49 1.63 0.00 0.98 0.00 0.00 173.24 175.89 1fy8 h ALA 48 N 3.75 0.79 -0.95 5.32 0.00 -1.97 -1.51 119.26 124.68 1fy8 h ALA 48 Ca -0.32 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 1fy8 h ALA 48 Cb 1.19 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 1fy8 h ALA 48 CO 0.46 0.62 0.59 1.05 0.00 0.00 0.00 179.25 181.97 1fy8 h GLU 49 N 0.92 1.27 -0.09 0.00 9.09 -1.98 0.29 114.58 124.08 1fy8 h GLU 49 Ca 0.17 -0.10 -0.18 0.00 0.05 0.00 0.00 59.36 59.29 1fy8 h GLU 49 Cb 0.54 -0.27 -0.00 0.00 -1.65 0.00 0.00 28.75 27.36 1fy8 h GLU 49 CO 0.03 0.87 -0.72 -0.44 0.05 0.00 0.00 179.01 178.80 1fy8 h ASP 50 N 1.30 0.51 -0.09 3.06 5.19 -1.95 -0.87 116.42 123.57 1fy8 h ASP 50 Ca 0.34 -0.33 -0.01 0.00 -0.62 0.00 0.00 57.03 56.41 1fy8 h ASP 50 Cb -0.09 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 39.27 1fy8 h ASP 50 CO -0.07 1.07 0.03 0.00 -3.12 0.00 0.00 179.24 177.16 1fy8 h MET 52 N -0.03 0.44 -0.28 0.00 2.86 -0.43 -0.13 114.93 117.36 1fy8 h MET 52 Ca 0.03 -0.20 -0.05 0.00 -2.06 0.00 0.00 59.70 57.42 1fy8 h MET 52 Cb 0.19 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 1fy8 h MET 52 CO -0.00 0.73 -0.03 -0.09 1.06 0.00 0.00 176.91 178.59 1fy8 h ARG 53 N 0.38 0.51 -0.07 1.72 2.43 -1.02 0.37 114.38 118.69 1fy8 h ARG 53 Ca 0.04 -0.18 -0.24 0.00 -0.81 0.00 0.00 59.98 58.80 1fy8 h ARG 53 Cb 0.79 -0.04 0.02 0.00 -0.42 0.00 0.00 29.97 30.31 1fy8 h ARG 53 CO 0.06 0.69 -0.87 1.15 -1.51 0.00 0.00 179.97 179.48 1fy8 h THR 54 N 0.28 1.29 -0.01 0.20 2.02 -1.18 -3.37 112.91 112.15 1fy8 h THR 54 Ca 0.08 -2.09 0.00 0.00 0.77 0.00 0.00 66.41 65.16 1fy8 h THR 54 Cb 0.47 2.21 0.00 0.00 -1.74 0.00 0.00 68.15 69.09 1fy8 h THR 54 CO 0.02 0.65 -0.15 0.00 0.37 0.00 0.00 175.52 176.41