#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f62 s ARG 2 N 0.00 3.94 0.33 0.00 3.52 -1.26 -4.23 118.95 121.25 1f62 s ARG 2 Ca 0.00 1.78 -0.24 0.00 -0.13 0.00 0.00 55.73 57.14 1f62 s ARG 2 Cb 0.00 -3.99 -0.10 0.00 -1.56 0.00 0.00 34.95 29.30 1f62 s ARG 2 CO 0.00 -1.11 0.91 0.00 -0.81 0.00 0.00 175.30 174.29 1f62 h LYS 4 N 2.97 -0.27 0.27 0.00 1.63 -1.46 0.18 116.57 119.89 1f62 h LYS 4 Ca -0.47 0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.34 1f62 h LYS 4 Cb 1.19 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.87 1f62 h LYS 4 CO 0.64 -0.18 -0.20 0.28 -3.45 0.00 0.00 179.45 176.54 1f62 h VAL 5 N -0.28 0.57 0.00 2.00 2.07 -1.95 -2.80 116.25 115.85 1f62 h VAL 5 Ca 0.04 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.52 1f62 h VAL 5 Cb 0.33 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1f62 h VAL 5 CO -0.13 0.00 -0.22 0.00 0.02 0.00 0.00 177.57 177.24 1f62 n ARG 7 N -3.60 -0.76 -3.63 0.00 1.85 0.04 -4.89 116.66 105.68 1f62 n ARG 7 Ca -0.01 0.13 -0.09 0.00 -1.00 0.00 0.00 57.85 56.88 1f62 n ARG 7 Cb 0.36 -4.34 -0.07 0.00 -1.05 0.00 0.00 32.46 27.35 1f62 n ARG 7 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 1f62 s LYS 8 N -7.00 0.48 0.09 2.89 2.20 -1.25 -5.01 119.74 112.14 1f62 s LYS 8 Ca 0.68 0.49 -0.31 0.00 -0.36 0.00 0.00 55.97 56.47 1f62 s LYS 8 Cb -0.40 0.23 -0.07 0.00 -1.51 0.00 0.00 37.83 36.09 1f62 s LYS 8 CO 0.98 -0.08 1.28 0.21 -0.36 0.00 0.00 175.35 177.38 1f62 s LYS 9 N 0.00 4.39 0.00 4.03 2.20 -1.26 -3.71 119.74 125.38 1f62 s LYS 9 Ca 0.03 1.91 0.00 0.00 -0.36 0.00 0.00 55.97 57.55 1f62 s LYS 9 Cb -0.04 -3.30 0.00 0.00 -1.51 0.00 0.00 37.83 32.98 1f62 s LYS 9 CO -0.06 -0.33 0.00 0.41 -0.36 0.00 0.00 175.35 175.02 1f62 n GLY 10 N 3.28 1.69 3.57 5.54 0.00 -1.26 -5.00 105.19 113.01 1f62 n GLY 10 Ca 0.10 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 1f62 n GLY 10 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f62 s GLU 11 N 1.12 3.43 -0.92 1.61 2.02 -1.26 -4.85 118.70 119.86 1f62 s GLU 11 Ca 0.00 -1.38 -0.08 0.00 0.02 0.00 0.00 54.97 53.53 1f62 s GLU 11 Cb 0.00 -5.38 -0.15 0.00 0.10 0.00 0.00 34.13 28.71 1f62 s GLU 11 CO 0.00 -2.69 3.04 -0.25 0.02 0.00 0.00 175.26 175.38 1f62 n ASP 12 N 10.28 6.83 -0.02 -0.19 8.00 -1.26 -4.39 116.55 135.80 1f62 n ASP 12 Ca 0.42 -2.48 -0.02 0.00 0.71 0.00 0.00 54.79 53.43 1f62 n ASP 12 Cb 0.48 -1.41 -0.01 0.00 -0.02 0.00 0.00 41.12 40.16 1f62 n ASP 12 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1f62 n ASP 13 N 3.24 0.53 -2.73 -2.24 2.03 -1.26 -4.90 116.55 111.21 1f62 n ASP 13 Ca 0.60 0.19 -0.05 0.00 0.52 0.00 0.00 54.79 56.05 1f62 n ASP 13 Cb 0.46 -0.58 0.03 0.00 -0.72 0.00 0.00 41.12 40.31 1f62 n ASP 13 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1f62 n LYS 14 N -3.00 0.47 -1.67 -0.67 4.81 -1.26 -5.12 118.16 111.73 1f62 n LYS 14 Ca -0.03 -1.58 -0.32 0.00 -0.87 0.00 0.00 58.31 55.50 1f62 n LYS 14 Cb 0.12 -1.03 0.05 0.00 0.02 0.00 0.00 35.03 34.19 1f62 n LYS 14 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1f62 s LEU 15 N 0.43 3.29 -0.55 3.14 1.02 -1.26 -4.43 118.68 120.32 1f62 s LEU 15 Ca 0.29 1.88 0.04 0.00 0.02 0.00 0.00 54.13 56.36 1f62 s LEU 15 Cb 0.10 -4.53 0.14 0.00 0.02 0.00 0.00 46.19 41.92 1f62 s LEU 15 CO -0.11 -1.63 0.31 -0.51 0.02 0.00 0.00 176.35 174.43 1f62 s ILE 16 N -2.58 2.46 0.14 -0.59 2.07 0.04 -4.95 121.20 117.79 1f62 s ILE 16 Ca 0.64 -3.42 -0.31 0.00 -1.41 0.00 0.00 60.65 56.15 1f62 s ILE 16 Cb -0.18 -2.69 -0.08 0.00 0.13 0.00 0.00 42.46 39.64 1f62 s ILE 16 CO 0.46 -0.86 1.32 -0.76 -1.91 0.00 0.00 174.94 173.19 1f62 s LEU 17 N -0.46 4.39 0.25 8.50 1.02 -1.26 -2.89 118.68 128.23 1f62 s LEU 17 Ca 0.19 2.30 -0.30 0.00 0.02 0.00 0.00 54.13 56.34 1f62 s LEU 17 Cb -0.21 -3.59 -0.09 0.00 0.02 0.00 0.00 46.19 42.32 1f62 s LEU 17 CO -0.04 -0.57 1.26 0.00 0.02 0.00 0.00 176.35 177.03 1f62 h ASP 19 N 4.46 0.00 0.54 0.00 3.58 -1.29 -1.11 116.42 122.59 1f62 h ASP 19 Ca -0.46 -0.17 -0.03 0.00 0.42 0.00 0.00 57.03 56.79 1f62 h ASP 19 Cb 1.22 -0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.27 1f62 h ASP 19 CO 0.71 0.18 -0.26 -0.08 -2.88 0.00 0.00 179.24 176.91 1f62 h GLU 20 N -0.17 -0.70 0.00 0.28 4.81 -1.92 -3.38 114.58 113.49 1f62 h GLU 20 Ca 0.00 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1f62 h GLU 20 Cb 0.17 0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1f62 h GLU 20 CO -0.00 -0.40 0.00 0.00 -0.73 0.00 0.00 179.01 177.88 1f62 n ASN 22 N -0.48 -1.80 -4.68 0.00 5.15 -0.42 -4.96 115.26 108.06 1f62 n ASN 22 Ca 0.00 -0.89 -0.35 0.00 -0.60 0.00 0.00 54.58 52.75 1f62 n ASN 22 Cb 0.25 -3.78 -0.09 0.00 -0.53 0.00 0.00 39.78 35.63 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 -6.03 4.05 -0.04 1.20 1.02 -1.26 -4.81 119.74 113.87 1f62 s LYS 23 Ca 0.09 -0.29 -0.30 0.00 0.02 0.00 0.00 55.97 55.49 1f62 s LYS 23 Cb -0.03 -3.30 -0.04 0.00 -0.52 0.00 0.00 37.83 33.94 1f62 s LYS 23 CO 0.83 0.30 1.31 0.00 -0.92 0.00 0.00 175.35 176.87 1f62 s ALA 24 N 0.33 3.56 0.09 5.17 0.00 -1.26 -1.39 121.76 128.26 1f62 s ALA 24 Ca 0.05 0.73 0.02 0.00 0.00 0.00 0.00 51.96 52.76 1f62 s ALA 24 Cb -0.12 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 1f62 s ALA 24 CO -0.01 -0.90 -0.07 -0.06 0.00 0.00 0.00 175.76 174.72 1f62 s PHE 25 N 2.52 0.87 0.14 0.00 0.40 -1.14 -1.03 117.98 119.74 1f62 s PHE 25 Ca 0.60 -0.85 -0.05 0.00 -0.60 0.00 0.00 56.93 56.03 1f62 s PHE 25 Cb -0.28 -0.51 -0.06 0.00 0.51 0.00 0.00 43.02 42.69 1f62 s PHE 25 CO 0.23 -0.13 0.38 -1.01 0.70 0.00 0.00 175.22 175.39 1f62 s HIS 26 N -3.30 3.48 0.21 0.36 3.76 -1.26 -0.78 115.29 117.76 1f62 s HIS 26 Ca 0.09 0.57 -0.09 0.00 -0.15 0.00 0.00 55.06 55.48 1f62 s HIS 26 Cb 0.03 -2.01 0.30 0.00 1.11 0.00 0.00 32.58 32.01 1f62 s HIS 26 CO -0.04 0.44 1.74 -0.07 -0.85 0.00 0.00 174.74 175.96 1f62 h LEU 27 N 2.88 0.24 -0.35 0.89 3.38 -1.83 -1.70 115.31 118.82 1f62 h LEU 27 Ca -0.46 0.08 0.08 0.00 0.09 0.00 0.00 57.88 57.67 1f62 h LEU 27 Cb 1.17 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.89 1f62 h LEU 27 CO 0.72 0.14 -0.28 -0.26 0.09 0.00 0.00 178.44 178.85 1f62 h PHE 28 N 0.42 -0.75 -0.16 1.13 0.04 -1.72 -1.49 116.94 114.41 1f62 h PHE 28 Ca 0.32 0.05 -0.13 0.00 2.80 0.00 0.00 57.97 61.01 1f62 h PHE 28 Cb 0.41 0.38 -0.01 0.00 2.20 0.00 0.00 35.95 38.93 1f62 h PHE 28 CO -0.17 -0.35 -0.46 0.00 -0.60 0.00 0.00 178.31 176.73 1f62 h LEU 30 N 0.31 -1.08 -6.92 0.00 3.38 -1.15 -3.47 115.31 106.38 1f62 h LEU 30 Ca 0.02 0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.11 1f62 h LEU 30 Cb 0.93 0.28 -0.23 0.00 0.09 0.00 0.00 40.66 41.73 1f62 h LEU 30 CO 0.08 -0.76 0.11 -0.60 0.09 0.00 0.00 178.44 177.35 1f62 s ARG 31 N -5.75 0.53 0.46 1.13 6.06 -0.58 -5.06 118.95 115.74 1f62 s ARG 31 Ca -0.19 1.07 0.11 0.00 -2.50 0.00 0.00 55.73 54.23 1f62 s ARG 31 Cb 0.02 0.35 1.05 0.00 0.06 0.00 0.00 34.95 36.43 1f62 s ARG 31 CO 0.56 -0.14 2.10 -1.00 -2.50 0.00 0.00 175.30 174.32 1f62 h PRO 32 N 7.08 0.26 -1.02 5.12 0.13 -1.71 -0.10 132.00 141.77 1f62 h PRO 32 Ca -0.24 -0.02 0.30 0.00 -0.87 0.00 0.00 66.00 65.17 1f62 h PRO 32 Cb 1.17 -0.06 -0.14 0.00 0.13 0.00 0.00 31.00 32.11 1f62 h PRO 32 CO 0.14 0.19 0.60 0.00 -0.23 0.00 0.00 178.00 178.70 1f62 h ALA 33 N 1.86 1.97 -1.23 -0.56 0.00 -1.89 -3.26 119.26 116.15 1f62 h ALA 33 Ca 0.07 0.16 -0.49 0.00 0.00 0.00 0.00 54.91 54.65 1f62 h ALA 33 Cb -0.01 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 1f62 h ALA 33 CO -0.01 -0.53 1.17 -0.51 0.00 0.00 0.00 179.25 179.37 1f62 s LEU 34 N -10.29 3.26 -0.21 0.00 1.43 -0.05 -4.74 118.68 108.08 1f62 s LEU 34 Ca -0.10 -0.43 -0.20 0.00 -1.03 0.00 0.00 54.13 52.37 1f62 s LEU 34 Cb 0.29 -2.55 -0.17 0.00 0.03 0.00 0.00 46.19 43.78 1f62 s LEU 34 CO 0.79 -2.12 0.12 -1.22 0.23 0.00 0.00 176.35 174.16 1f62 n TYR 35 N 11.20 0.88 -3.07 0.29 4.01 -1.23 -3.36 117.16 125.88 1f62 n TYR 35 Ca 0.21 0.38 -0.18 0.00 -0.16 0.00 0.00 57.90 58.15 1f62 n TYR 35 Cb 0.50 -1.07 0.01 0.00 -0.31 0.00 0.00 39.34 38.47 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 -2.38 2.77 0.62 -0.72 0.41 -1.26 -4.87 118.70 113.27 1f62 s GLU 36 Ca -0.29 -1.29 -0.17 0.00 -0.41 0.00 0.00 54.97 52.80 1f62 s GLU 36 Cb 0.07 -2.71 -0.02 0.00 -1.78 0.00 0.00 34.13 29.69 1f62 s GLU 36 CO 0.56 -0.29 1.16 0.14 -0.49 0.00 0.00 175.26 176.33 1f62 s VAL 37 N -2.38 2.91 0.11 2.63 -7.23 -1.26 -5.04 120.40 110.14 1f62 s VAL 37 Ca 0.55 0.50 -0.18 0.00 -1.81 0.00 0.00 61.98 61.04 1f62 s VAL 37 Cb -0.09 -3.11 -0.07 0.00 0.56 0.00 0.00 36.38 33.67 1f62 s VAL 37 CO 0.33 -0.18 0.59 -2.16 -0.31 0.00 0.00 175.10 173.36 1f62 s PRO 38 N -3.63 4.16 -1.53 4.82 0.04 -1.26 -5.00 135.00 132.61 1f62 s PRO 38 Ca 0.73 0.70 -0.10 0.00 0.04 0.00 0.00 61.00 62.37 1f62 s PRO 38 Cb -0.25 -3.13 -0.02 0.00 0.04 0.00 0.00 34.50 31.14 1f62 s PRO 38 CO 0.36 0.58 2.68 -0.40 0.04 0.00 0.00 177.00 180.25 1f62 n ASP 39 N 1.39 7.56 -0.32 6.66 5.75 -1.26 -4.82 116.55 131.52 1f62 n ASP 39 Ca -0.08 -2.74 0.00 0.00 -0.01 0.00 0.00 54.79 51.96 1f62 n ASP 39 Cb 0.51 -1.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.06 1f62 n ASP 39 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1f62 n GLY 40 N 3.33 1.96 3.63 6.12 0.00 -1.26 -5.13 105.19 113.84 1f62 n GLY 40 Ca 0.69 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 1f62 n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f62 s GLU 41 N 0.03 3.85 -1.29 1.61 8.01 -1.26 -4.92 118.70 124.74 1f62 s GLU 41 Ca 0.00 1.36 -0.18 0.00 0.01 0.00 0.00 54.97 56.16 1f62 s GLU 41 Cb 0.00 -3.94 0.03 0.00 -4.31 0.00 0.00 34.13 25.91 1f62 s GLU 41 CO 0.00 -1.21 1.88 0.91 0.01 0.00 0.00 175.26 176.85 1f62 n TRP 42 N 7.99 3.99 -2.14 1.61 8.01 -1.26 -4.95 117.44 130.70 1f62 n TRP 42 Ca 0.16 -2.61 -0.27 0.00 -1.31 0.00 0.00 57.50 53.47 1f62 n TRP 42 Cb 0.46 -2.57 0.18 0.00 -2.01 0.00 0.00 31.31 27.37 1f62 n TRP 42 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.69 177.72 1f62 n GLN 43 N 7.83 -0.92 -4.07 -0.99 1.13 -1.26 -0.77 117.38 118.32 1f62 n GLN 43 Ca 0.49 -2.26 -0.10 0.00 -1.94 0.00 0.00 57.00 53.19 1f62 n GLN 43 Cb 0.44 -1.14 -0.08 0.00 0.11 0.00 0.00 30.24 29.57 1f62 n GLN 43 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1f62 h PRO 45 N 2.64 0.00 -0.36 0.00 0.11 -1.86 -0.44 132.00 132.10 1f62 h PRO 45 Ca -0.33 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.65 1f62 h PRO 45 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1f62 h PRO 45 CO 0.52 0.00 -0.30 0.00 -0.21 0.00 0.00 178.00 178.00 1f62 h ALA 46 N 1.10 0.79 0.18 -0.75 0.00 -1.97 -3.34 119.26 115.27 1f62 h ALA 46 Ca 0.43 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1f62 h ALA 46 Cb 2.18 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.84 1f62 h ALA 46 CO -0.00 0.65 -0.09 0.00 0.00 0.00 0.00 179.25 179.81 1f62 s GLN 48 N -2.36 4.15 -1.56 0.00 -2.07 -1.03 -4.94 119.66 111.85 1f62 s GLN 48 Ca -0.04 1.38 -0.09 0.00 -1.82 0.00 0.00 55.36 54.79 1f62 s GLN 48 Cb 0.00 -2.41 -0.04 0.00 -1.09 0.00 0.00 33.01 29.48 1f62 s GLN 48 CO 0.12 -0.13 2.83 -0.35 -1.32 0.00 0.00 175.29 176.44 1f62 n PRO 49 N -0.30 3.90 -3.65 9.60 -0.04 -1.26 -4.78 135.00 138.47 1f62 n PRO 49 Ca 0.06 -2.49 -0.00 0.00 -0.04 0.00 0.00 63.50 61.03 1f62 n PRO 49 Cb 0.51 -2.77 0.02 0.00 -0.04 0.00 0.00 33.50 31.22 1f62 n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1f62 n ALA 50 N 3.19 -2.74 -1.05 0.55 0.00 -1.26 -5.22 120.51 113.98 1f62 n ALA 50 Ca 0.75 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1f62 n ALA 50 Cb 0.24 0.33 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1f62 n ALA 50 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91