#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f62 n ARG 2 N 0.00 -2.93 -4.33 0.00 1.85 -1.26 -4.64 116.66 105.35 1f62 n ARG 2 Ca 0.00 -1.78 -0.17 0.00 -1.00 0.00 0.00 57.85 54.89 1f62 n ARG 2 Cb 0.00 -1.61 -0.10 0.00 -1.05 0.00 0.00 32.46 29.70 1f62 n ARG 2 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1f62 h LYS 4 N 2.52 0.48 0.00 0.00 1.79 -1.56 -3.11 116.57 116.70 1f62 h LYS 4 Ca -0.38 -0.82 0.00 0.00 -2.18 0.00 0.00 60.65 57.27 1f62 h LYS 4 Cb 1.22 0.31 0.00 0.00 -1.58 0.00 0.00 32.23 32.17 1f62 h LYS 4 CO 0.64 1.39 0.00 0.28 -1.08 0.00 0.00 179.45 180.69 1f62 n VAL 5 N -3.72 0.00 0.17 0.50 0.31 -1.26 -4.35 118.33 109.98 1f62 n VAL 5 Ca -0.19 0.90 0.08 0.00 -0.01 0.00 0.00 64.34 65.12 1f62 n VAL 5 Cb 1.07 -1.73 0.09 0.00 -0.91 0.00 0.00 33.84 32.36 1f62 n VAL 5 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1f62 n ARG 7 N -3.10 -5.59 -3.15 0.00 1.74 -1.17 -4.96 116.66 100.42 1f62 n ARG 7 Ca 0.02 0.67 0.04 0.00 -0.77 0.00 0.00 57.85 57.81 1f62 n ARG 7 Cb 0.62 -5.42 -0.01 0.00 -1.02 0.00 0.00 32.46 26.64 1f62 n ARG 7 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1f62 s LYS 8 N -6.08 0.57 0.21 5.56 2.20 -1.26 -4.88 119.74 116.06 1f62 s LYS 8 Ca 0.21 0.95 -0.30 0.00 -0.36 0.00 0.00 55.97 56.47 1f62 s LYS 8 Cb -0.10 0.51 -0.09 0.00 -1.51 0.00 0.00 37.83 36.64 1f62 s LYS 8 CO 0.80 -0.67 1.30 0.21 -0.36 0.00 0.00 175.35 176.63 1f62 s LYS 9 N 2.85 4.39 0.00 4.03 2.20 -1.26 -4.60 119.74 127.35 1f62 s LYS 9 Ca 0.20 2.06 0.00 0.00 -0.36 0.00 0.00 55.97 57.86 1f62 s LYS 9 Cb -0.14 -3.19 0.00 0.00 -1.51 0.00 0.00 37.83 32.99 1f62 s LYS 9 CO -0.22 -0.23 0.00 0.41 -0.36 0.00 0.00 175.35 174.95 1f62 n GLY 10 N 2.21 -2.02 1.65 5.54 0.00 -1.26 -4.95 105.19 106.36 1f62 n GLY 10 Ca 0.05 0.66 -0.12 0.00 0.00 0.00 0.00 46.02 46.62 1f62 n GLY 10 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1f62 n GLU 11 N 0.00 1.60 -1.55 1.61 0.00 -1.26 -4.77 120.64 116.26 1f62 n GLU 11 Ca 0.00 -1.30 -0.31 0.00 0.00 0.00 0.00 57.16 55.55 1f62 n GLU 11 Cb 0.00 -1.51 -0.05 0.00 0.00 0.00 0.00 31.44 29.88 1f62 n GLU 11 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1f62 n ASP 12 N 0.08 7.18 0.28 -1.84 5.75 -1.26 -4.50 116.55 122.24 1f62 n ASP 12 Ca 0.26 -2.96 -0.14 0.00 -0.01 0.00 0.00 54.79 51.93 1f62 n ASP 12 Cb 0.82 -1.36 -0.08 0.00 -1.03 0.00 0.00 41.12 39.48 1f62 n ASP 12 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 1f62 h ASP 13 N 3.87 -0.61 -2.00 -1.12 3.58 -1.94 -3.39 116.42 114.81 1f62 h ASP 13 Ca 0.54 -0.05 -0.37 0.00 0.42 0.00 0.00 57.03 57.57 1f62 h ASP 13 Cb 0.64 0.16 -0.32 0.00 1.72 0.00 0.00 39.33 41.53 1f62 h ASP 13 CO 1.12 -0.26 -0.69 -0.54 -2.88 0.00 0.00 179.24 175.99 1f62 s LYS 14 N -4.80 0.59 -0.06 0.28 1.02 -1.26 -5.04 119.74 110.47 1f62 s LYS 14 Ca -0.14 -0.79 -0.30 0.00 0.02 0.00 0.00 55.97 54.76 1f62 s LYS 14 Cb 0.02 -0.74 -0.05 0.00 -0.52 0.00 0.00 37.83 36.54 1f62 s LYS 14 CO 0.49 -1.17 1.49 -0.51 -0.92 0.00 0.00 175.35 174.73 1f62 s LEU 15 N 1.54 4.29 -0.62 3.17 2.01 -1.26 -3.85 118.68 123.95 1f62 s LEU 15 Ca 0.16 2.09 -0.18 0.00 0.01 0.00 0.00 54.13 56.20 1f62 s LEU 15 Cb -0.15 -3.54 0.12 0.00 0.01 0.00 0.00 46.19 42.62 1f62 s LEU 15 CO -0.07 -0.83 0.71 -0.51 1.01 0.00 0.00 176.35 176.66 1f62 s ILE 16 N 3.37 4.93 0.27 -0.59 2.07 0.35 -4.96 121.20 126.64 1f62 s ILE 16 Ca 0.66 -1.21 -0.29 0.00 -1.41 0.00 0.00 60.65 58.40 1f62 s ILE 16 Cb -0.30 -4.49 -0.09 0.00 0.13 0.00 0.00 42.46 37.71 1f62 s ILE 16 CO 0.25 -1.11 1.25 -0.76 -1.91 0.00 0.00 174.94 172.67 1f62 s LEU 17 N 2.35 4.46 -0.28 8.50 1.02 -1.26 -2.94 118.68 130.51 1f62 s LEU 17 Ca 0.12 2.47 -0.29 0.00 0.02 0.00 0.00 54.13 56.45 1f62 s LEU 17 Cb -0.23 -3.63 -0.02 0.00 0.02 0.00 0.00 46.19 42.33 1f62 s LEU 17 CO 0.04 -0.43 1.65 0.00 0.02 0.00 0.00 176.35 177.63 1f62 h ASP 19 N 11.44 0.25 0.72 0.00 3.58 -1.55 -0.45 116.42 130.41 1f62 h ASP 19 Ca -0.33 0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.14 1f62 h ASP 19 Cb 1.15 0.02 0.01 0.00 1.72 0.00 0.00 39.33 42.23 1f62 h ASP 19 CO 1.02 0.17 -0.35 -0.33 -2.88 0.00 0.00 179.24 176.88 1f62 h GLU 20 N 0.41 -0.93 -0.12 0.28 5.08 -1.91 -3.35 114.58 114.04 1f62 h GLU 20 Ca 0.24 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1f62 h GLU 20 Cb 0.23 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1f62 h GLU 20 CO -0.22 -0.62 0.00 0.00 -1.00 0.00 0.00 179.01 177.17 1f62 n ASN 22 N -0.62 -7.13 -3.84 0.00 5.15 -0.18 -5.03 115.26 103.61 1f62 n ASN 22 Ca 0.12 0.05 -0.21 0.00 -0.60 0.00 0.00 54.58 53.94 1f62 n ASN 22 Cb 0.54 -4.31 -0.17 0.00 -0.53 0.00 0.00 39.78 35.32 1f62 n ASN 22 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1f62 s LYS 23 N -2.99 0.70 -0.34 1.20 1.02 -1.24 -4.94 119.74 113.16 1f62 s LYS 23 Ca 0.17 -0.01 -0.29 0.00 0.02 0.00 0.00 55.97 55.86 1f62 s LYS 23 Cb -0.04 -0.86 -0.01 0.00 -0.52 0.00 0.00 37.83 36.40 1f62 s LYS 23 CO 0.80 -0.17 1.68 0.00 -0.92 0.00 0.00 175.35 176.74 1f62 s ALA 24 N 1.33 2.96 0.04 5.17 0.00 -1.26 -1.15 121.76 128.85 1f62 s ALA 24 Ca -0.05 0.19 0.08 0.00 0.00 0.00 0.00 51.96 52.18 1f62 s ALA 24 Cb -0.13 -3.98 -0.03 0.00 0.00 0.00 0.00 23.12 18.98 1f62 s ALA 24 CO -0.02 -2.49 -0.22 -0.06 0.00 0.00 0.00 175.76 172.97 1f62 s PHE 25 N 6.32 2.46 0.65 0.00 0.40 -1.15 -1.26 117.98 125.40 1f62 s PHE 25 Ca 0.74 -0.32 -0.11 0.00 -0.60 0.00 0.00 56.93 56.64 1f62 s PHE 25 Cb -0.21 -1.44 -0.02 0.00 0.51 0.00 0.00 43.02 41.86 1f62 s PHE 25 CO 0.33 0.19 1.04 -1.01 0.70 0.00 0.00 175.22 176.47 1f62 s HIS 26 N -0.86 3.49 0.15 0.36 3.76 -1.26 -0.49 115.29 120.44 1f62 s HIS 26 Ca 0.13 1.28 -0.17 0.00 -0.15 0.00 0.00 55.06 56.15 1f62 s HIS 26 Cb -0.10 -2.80 0.05 0.00 1.11 0.00 0.00 32.58 30.84 1f62 s HIS 26 CO 0.03 -0.86 1.71 -0.07 -0.85 0.00 0.00 174.74 174.70 1f62 h LEU 27 N -0.44 -0.12 -0.56 0.89 3.38 -1.86 -1.43 115.31 115.17 1f62 h LEU 27 Ca -0.44 0.07 0.11 0.00 0.09 0.00 0.00 57.88 57.71 1f62 h LEU 27 Cb 1.20 0.13 -0.11 0.00 0.09 0.00 0.00 40.66 41.97 1f62 h LEU 27 CO 0.61 -0.02 -0.26 -0.26 0.09 0.00 0.00 178.44 178.60 1f62 h PHE 28 N 0.10 -0.67 -0.13 1.13 0.04 -1.71 -1.71 116.94 113.98 1f62 h PHE 28 Ca 0.16 0.06 -0.09 0.00 2.80 0.00 0.00 57.97 60.90 1f62 h PHE 28 Cb 0.21 0.38 -0.01 0.00 2.20 0.00 0.00 35.95 38.73 1f62 h PHE 28 CO -0.23 -0.34 -0.32 0.00 -0.60 0.00 0.00 178.31 176.82 1f62 h LEU 30 N 0.23 -0.17 -7.23 0.00 3.38 -1.02 -3.47 115.31 107.02 1f62 h LEU 30 Ca 0.03 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 1f62 h LEU 30 Cb 0.68 0.04 -0.28 0.00 0.09 0.00 0.00 40.66 41.19 1f62 h LEU 30 CO 0.05 -0.10 -0.39 -0.13 0.09 0.00 0.00 178.44 177.95 1f62 s ARG 31 N -3.04 0.29 0.41 1.13 0.52 -0.67 -4.98 118.95 112.62 1f62 s ARG 31 Ca -0.03 0.77 0.10 0.00 -0.52 0.00 0.00 55.73 56.05 1f62 s ARG 31 Cb 0.00 0.02 0.91 0.00 0.52 0.00 0.00 34.95 36.41 1f62 s ARG 31 CO 0.09 -0.20 2.00 -1.00 0.02 0.00 0.00 175.30 176.21 1f62 h PRO 32 N 7.54 0.52 0.00 3.54 0.13 -1.74 -1.29 132.00 140.69 1f62 h PRO 32 Ca -0.30 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.79 1f62 h PRO 32 Cb 1.15 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 1f62 h PRO 32 CO 0.25 0.34 -0.05 0.00 -0.23 0.00 0.00 178.00 178.31 1f62 h ALA 33 N 1.69 1.12 -1.98 -0.56 0.00 -1.89 -3.41 119.26 114.23 1f62 h ALA 33 Ca 0.25 -0.05 -0.57 0.00 0.00 0.00 0.00 54.91 54.55 1f62 h ALA 33 Cb 0.31 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1f62 h ALA 33 CO -0.07 0.06 1.09 -0.51 0.00 0.00 0.00 179.25 179.82 1f62 s LEU 34 N -6.64 3.84 -0.12 0.00 1.43 -0.49 -4.79 118.68 111.91 1f62 s LEU 34 Ca -0.02 1.42 -0.01 0.00 -1.03 0.00 0.00 54.13 54.49 1f62 s LEU 34 Cb 0.12 -3.53 -0.07 0.00 0.03 0.00 0.00 46.19 42.73 1f62 s LEU 34 CO 0.52 -1.25 -0.12 -1.22 0.23 0.00 0.00 176.35 174.52 1f62 n TYR 35 N 8.34 0.00 -3.38 0.29 4.01 -1.26 -3.64 117.16 121.51 1f62 n TYR 35 Ca 0.18 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.73 1f62 n TYR 35 Cb 0.46 -0.46 -0.01 0.00 -0.31 0.00 0.00 39.34 39.02 1f62 n TYR 35 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1f62 s GLU 36 N -2.24 2.80 0.36 -0.72 0.41 -1.26 -4.96 118.70 113.09 1f62 s GLU 36 Ca -0.16 -1.28 -0.27 0.00 -0.41 0.00 0.00 54.97 52.85 1f62 s GLU 36 Cb 0.05 -2.63 -0.09 0.00 -1.78 0.00 0.00 34.13 29.68 1f62 s GLU 36 CO 0.26 -0.12 1.22 0.54 -0.49 0.00 0.00 175.26 176.67 1f62 s VAL 37 N -2.34 3.00 -0.36 2.63 0.11 -1.26 -4.99 120.40 117.19 1f62 s VAL 37 Ca 0.49 0.92 -0.29 0.00 -2.93 0.00 0.00 61.98 60.17 1f62 s VAL 37 Cb -0.07 -3.56 0.02 0.00 -1.53 0.00 0.00 36.38 31.24 1f62 s VAL 37 CO 0.30 0.16 1.07 -2.16 -3.33 0.00 0.00 175.10 171.14 1f62 s PRO 38 N -1.99 3.97 -1.26 1.54 0.04 -1.26 -4.95 135.00 131.09 1f62 s PRO 38 Ca 0.52 0.90 -0.16 0.00 0.04 0.00 0.00 61.00 62.30 1f62 s PRO 38 Cb -0.35 -3.78 -0.02 0.00 0.04 0.00 0.00 34.50 30.39 1f62 s PRO 38 CO 0.45 -1.01 2.13 -3.47 0.04 0.00 0.00 177.00 175.14 1f62 n ASP 39 N 7.07 3.50 0.00 6.66 2.03 -1.26 -4.29 116.55 130.26 1f62 n ASP 39 Ca 0.11 -2.79 0.00 0.00 0.52 0.00 0.00 54.79 52.63 1f62 n ASP 39 Cb 0.48 -1.51 0.00 0.00 -0.72 0.00 0.00 41.12 39.37 1f62 n ASP 39 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1f62 n GLY 40 N 4.27 -1.39 3.82 0.27 0.00 -1.26 -5.15 105.19 105.75 1f62 n GLY 40 Ca 0.51 0.67 -0.37 0.00 0.00 0.00 0.00 46.02 46.82 1f62 n GLY 40 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1f62 s GLU 41 N 0.50 3.89 -0.41 1.61 1.03 -1.26 -5.02 118.70 119.02 1f62 s GLU 41 Ca 0.00 0.23 0.10 0.00 0.03 0.00 0.00 54.97 55.33 1f62 s GLU 41 Cb 0.00 -3.26 0.34 0.00 -0.80 0.00 0.00 34.13 30.41 1f62 s GLU 41 CO 0.00 0.61 0.75 0.91 -1.33 0.00 0.00 175.26 176.20 1f62 n TRP 42 N 2.26 0.89 -4.10 4.83 8.01 -1.26 -4.81 117.44 123.26 1f62 n TRP 42 Ca -0.15 -3.84 -0.11 0.00 -1.31 0.00 0.00 57.50 52.09 1f62 n TRP 42 Cb 0.53 -0.43 -0.07 0.00 -2.01 0.00 0.00 31.31 29.33 1f62 n TRP 42 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.69 177.82 1f62 s GLN 43 N -2.51 1.46 0.38 -0.99 -2.07 -1.26 -1.33 119.66 113.35 1f62 s GLN 43 Ca 0.41 -1.49 0.04 0.00 -1.82 0.00 0.00 55.36 52.51 1f62 s GLN 43 Cb 0.32 0.38 -0.00 0.00 -1.09 0.00 0.00 33.01 32.62 1f62 s GLN 43 CO -0.09 -0.56 0.55 0.00 -1.32 0.00 0.00 175.29 173.86 1f62 h PRO 45 N 0.70 0.00 -0.05 0.00 0.11 -1.90 -1.60 132.00 129.26 1f62 h PRO 45 Ca -0.46 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.40 1f62 h PRO 45 Cb 1.26 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.39 1f62 h PRO 45 CO 0.54 0.00 -0.97 0.00 -0.21 0.00 0.00 178.00 177.36 1f62 h ALA 46 N 1.70 0.18 -0.13 -0.75 0.00 -1.92 -3.11 119.26 115.23 1f62 h ALA 46 Ca 0.13 -0.67 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 1f62 h ALA 46 Cb 0.69 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1f62 h ALA 46 CO -0.00 0.68 -0.02 0.00 0.00 0.00 0.00 179.25 179.92 1f62 s GLN 48 N -4.85 2.34 -0.79 0.00 0.74 -0.63 -4.89 119.66 111.58 1f62 s GLN 48 Ca -0.14 1.19 -0.23 0.00 0.05 0.00 0.00 55.36 56.22 1f62 s GLN 48 Cb 0.05 -1.91 -0.17 0.00 1.10 0.00 0.00 33.01 32.09 1f62 s GLN 48 CO 0.71 -1.59 1.90 -2.30 -0.55 0.00 0.00 175.29 173.46 1f62 n PRO 49 N -3.38 1.33 -3.38 1.67 -0.02 -1.26 -4.77 135.00 125.19 1f62 n PRO 49 Ca 0.09 -1.89 -0.06 0.00 -2.02 0.00 0.00 63.50 59.62 1f62 n PRO 49 Cb 0.53 -3.08 0.02 0.00 -0.02 0.00 0.00 33.50 30.95 1f62 n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1f62 n ALA 50 N 9.50 -1.71 -0.29 3.55 0.00 -1.24 -5.14 120.51 125.18 1f62 n ALA 50 Ca 0.48 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1f62 n ALA 50 Cb 0.42 0.75 0.00 0.00 0.00 0.00 0.00 19.45 20.62 1f62 n ALA 50 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75