#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 3.49 0.42 0.00 3.52 -1.26 -4.27 118.95 120.85 1f62 s ARG 2 Ca 0.00 0.97 -0.24 0.00 -0.13 0.00 0.00 55.73 56.33 1f62 s ARG 2 Cb 0.00 -4.07 -0.08 0.00 -1.56 0.00 0.00 34.95 29.24 1f62 s ARG 2 CO 0.00 -1.67 1.15 0.00 -0.81 0.00 0.00 175.30 173.97 1f62 h LYS 4 N 2.38 -0.35 0.06 0.00 3.11 -1.44 -2.37 116.57 117.97 1f62 h LYS 4 Ca -0.49 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.38 1f62 h LYS 4 Cb 1.24 0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 32.54 1f62 h LYS 4 CO 0.62 -0.00 -0.11 0.28 -2.81 0.00 0.00 179.45 177.42 1f62 h VAL 5 N -0.77 0.00 0.00 2.00 2.07 -1.95 -2.07 116.25 115.52 1f62 h VAL 5 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1f62 h VAL 5 Cb 0.50 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1f62 h VAL 5 CO 0.06 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.65 1f62 n ARG 7 N -1.38 -5.10 -3.58 0.00 0.63 -0.78 -4.98 116.66 101.48 1f62 n ARG 7 Ca 0.10 0.72 -0.16 0.00 -0.92 0.00 0.00 57.85 57.59 1f62 n ARG 7 Cb 0.26 -5.44 -0.07 0.00 0.45 0.00 0.00 32.46 27.67 1f62 n ARG 7 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1f62 s LYS 8 N -5.61 0.95 -0.86 -0.14 2.20 -1.13 -4.96 119.74 110.18 1f62 s LYS 8 Ca 0.07 0.62 0.01 0.00 -0.36 0.00 0.00 55.97 56.31 1f62 s LYS 8 Cb -0.01 0.45 0.33 0.00 -1.51 0.00 0.00 37.83 37.09 1f62 s LYS 8 CO 0.78 -0.22 1.53 0.36 -0.36 0.00 0.00 175.35 177.44 1f62 n LYS 9 N 1.79 4.60 -0.01 4.03 2.85 -1.26 -1.52 118.16 128.64 1f62 n LYS 9 Ca -0.17 -4.70 -0.01 0.00 -1.05 0.00 0.00 58.31 52.39 1f62 n LYS 9 Cb 0.56 -2.38 -0.00 0.00 -0.65 0.00 0.00 35.03 32.56 1f62 n LYS 9 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1f62 h GLY 10 N 3.73 0.00 -6.11 2.58 0.00 -1.98 -3.42 103.07 97.88 1f62 h GLY 10 Ca 0.40 0.00 -0.73 0.00 0.00 0.00 0.00 47.33 47.00 1f62 h GLY 10 CO 1.06 0.00 2.57 1.18 0.00 0.00 0.00 176.54 181.35 1f62 n GLU 11 N -2.56 3.47 -1.48 4.80 4.71 -1.26 -4.86 120.64 123.47 1f62 n GLU 11 Ca -0.01 -3.12 -0.40 0.00 -0.01 0.00 0.00 57.16 53.63 1f62 n GLU 11 Cb 0.03 -3.01 -0.02 0.00 -1.01 0.00 0.00 31.44 27.44 1f62 n GLU 11 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1f62 n ASP 12 N 4.36 5.69 -0.00 1.62 8.00 -1.26 -4.53 116.55 130.42 1f62 n ASP 12 Ca 0.49 -2.70 -0.00 0.00 0.71 0.00 0.00 54.79 53.29 1f62 n ASP 12 Cb 0.35 -1.55 -0.00 0.00 -0.02 0.00 0.00 41.12 39.90 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 5.14 0.02 -2.73 -2.24 2.03 -1.26 -4.84 116.55 112.67 1f62 n ASP 13 Ca 0.62 0.08 -0.05 0.00 0.52 0.00 0.00 54.79 55.96 1f62 n ASP 13 Cb 0.32 -0.50 0.03 0.00 -0.72 0.00 0.00 41.12 40.24 1f62 n ASP 13 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1f62 n LYS 14 N -2.45 0.43 -2.23 -0.67 2.85 -1.26 -5.10 118.16 109.74 1f62 n LYS 14 Ca -0.00 -1.55 -0.36 0.00 -1.05 0.00 0.00 58.31 55.34 1f62 n LYS 14 Cb 0.01 -0.95 -0.00 0.00 -0.65 0.00 0.00 35.03 33.43 1f62 n LYS 14 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1f62 s LEU 15 N 0.54 3.91 -0.72 -5.58 1.02 -1.26 -4.71 118.68 111.89 1f62 s LEU 15 Ca 0.28 2.29 0.04 0.00 0.02 0.00 0.00 54.13 56.77 1f62 s LEU 15 Cb 0.09 -4.36 0.26 0.00 0.02 0.00 0.00 46.19 42.20 1f62 s LEU 15 CO -0.10 -1.06 0.88 0.00 0.02 0.00 0.00 176.35 176.08 1f62 n ILE 16 N -0.80 2.91 -2.27 -0.59 3.06 0.27 -5.00 119.36 116.95 1f62 n ILE 16 Ca 0.09 -5.35 -0.38 0.00 -2.50 0.00 0.00 62.75 54.60 1f62 n ILE 16 Cb 0.49 -2.10 -0.02 0.00 0.54 0.00 0.00 39.64 38.55 1f62 n ILE 16 CO 0.00 0.00 0.00 -0.76 -2.50 0.00 0.00 176.55 173.29 1f62 s LEU 17 N -2.53 4.18 -0.27 9.51 1.02 -1.25 -4.24 118.68 125.10 1f62 s LEU 17 Ca 0.38 2.38 -0.29 0.00 0.02 0.00 0.00 54.13 56.62 1f62 s LEU 17 Cb 0.13 -4.02 -0.02 0.00 0.02 0.00 0.00 46.19 42.30 1f62 s LEU 17 CO 0.01 -0.71 1.63 0.00 0.02 0.00 0.00 176.35 177.30 1f62 h ASP 19 N 11.20 0.69 0.26 0.00 3.04 -1.91 -0.14 116.42 129.56 1f62 h ASP 19 Ca -0.33 0.08 -0.01 0.00 -3.24 0.00 0.00 57.03 53.53 1f62 h ASP 19 Cb 1.15 -0.04 0.00 0.00 -1.04 0.00 0.00 39.33 39.40 1f62 h ASP 19 CO 1.02 0.30 -0.12 -0.08 -2.04 0.00 0.00 179.24 178.31 1f62 h GLU 20 N 0.75 -0.34 -0.37 4.15 4.81 -1.92 -3.38 114.58 118.29 1f62 h GLU 20 Ca 0.50 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.76 1f62 h GLU 20 Cb 0.68 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1f62 h GLU 20 CO -0.34 -0.22 0.00 0.00 -0.73 0.00 0.00 179.01 177.71 1f62 n ASN 22 N 0.71 -2.26 -4.48 0.00 5.15 -0.07 -4.99 115.26 109.31 1f62 n ASN 22 Ca 0.13 -0.74 -0.36 0.00 -0.60 0.00 0.00 54.58 53.01 1f62 n ASN 22 Cb 0.44 -4.57 -0.12 0.00 -0.53 0.00 0.00 39.78 35.01 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 -5.57 3.71 0.10 1.20 1.02 -1.25 -4.92 119.74 114.03 1f62 s LYS 23 Ca 0.07 -0.46 -0.30 0.00 0.02 0.00 0.00 55.97 55.31 1f62 s LYS 23 Cb -0.01 -3.28 -0.06 0.00 -0.52 0.00 0.00 37.83 33.96 1f62 s LYS 23 CO 0.77 -0.08 0.95 0.00 -0.92 0.00 0.00 175.35 176.08 1f62 s ALA 24 N 1.32 3.24 -0.09 5.17 0.00 -1.26 -1.46 121.76 128.68 1f62 s ALA 24 Ca 0.05 0.56 -0.09 0.00 0.00 0.00 0.00 51.96 52.47 1f62 s ALA 24 Cb -0.15 -3.27 0.03 0.00 0.00 0.00 0.00 23.12 19.73 1f62 s ALA 24 CO 0.03 -0.04 0.26 -0.06 0.00 0.00 0.00 175.76 175.96 1f62 s PHE 25 N 0.06 -0.28 0.43 0.00 0.40 -1.26 -1.10 117.98 116.23 1f62 s PHE 25 Ca 0.47 0.68 -0.02 0.00 -0.60 0.00 0.00 56.93 57.45 1f62 s PHE 25 Cb -0.23 0.10 -0.03 0.00 0.51 0.00 0.00 43.02 43.37 1f62 s PHE 25 CO 0.29 -0.15 0.69 -1.01 0.70 0.00 0.00 175.22 175.74 1f62 s HIS 26 N 0.07 3.50 0.20 0.36 3.76 -1.26 -0.56 115.29 121.35 1f62 s HIS 26 Ca -0.01 0.57 -0.11 0.00 -0.15 0.00 0.00 55.06 55.37 1f62 s HIS 26 Cb -0.02 -2.16 0.15 0.00 1.11 0.00 0.00 32.58 31.66 1f62 s HIS 26 CO 0.00 -0.15 1.86 -0.07 -0.85 0.00 0.00 174.74 175.54 1f62 h LEU 27 N 0.43 0.77 -1.07 0.89 4.07 -1.84 -2.54 115.31 116.02 1f62 h LEU 27 Ca -0.48 -0.01 0.07 0.00 0.08 0.00 0.00 57.88 57.54 1f62 h LEU 27 Cb 1.22 -0.18 -0.06 0.00 1.08 0.00 0.00 40.66 42.71 1f62 h LEU 27 CO 0.61 0.55 0.62 -0.26 -1.08 0.00 0.00 178.44 178.88 1f62 h PHE 28 N 0.91 1.13 0.00 1.13 0.04 -1.68 -1.73 116.94 116.74 1f62 h PHE 28 Ca 0.26 0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.93 1f62 h PHE 28 Cb -0.06 -0.37 -0.02 0.00 2.20 0.00 0.00 35.95 37.70 1f62 h PHE 28 CO -0.03 0.58 -0.62 0.00 -0.60 0.00 0.00 178.31 177.64 1f62 h LEU 30 N 0.00 -0.31 -7.00 0.00 3.38 -1.01 -3.47 115.31 106.90 1f62 h LEU 30 Ca -0.01 -0.12 0.07 0.00 0.09 0.00 0.00 57.88 57.92 1f62 h LEU 30 Cb 1.11 0.08 -0.25 0.00 0.09 0.00 0.00 40.66 41.69 1f62 h LEU 30 CO 0.08 -0.06 0.51 0.00 0.09 0.00 0.00 178.44 179.06 1f62 s ARG 31 N -5.32 0.51 0.26 1.13 1.70 -0.71 -4.89 118.95 111.64 1f62 s ARG 31 Ca -0.15 0.41 -0.05 0.00 -0.47 0.00 0.00 55.73 55.48 1f62 s ARG 31 Cb 0.03 0.25 0.31 0.00 -0.57 0.00 0.00 34.95 34.97 1f62 s ARG 31 CO 0.61 -0.10 1.91 -1.00 -1.08 0.00 0.00 175.30 175.64 1f62 h PRO 32 N 3.58 1.20 -0.73 3.89 0.13 -1.69 -1.90 132.00 136.47 1f62 h PRO 32 Ca -0.25 -0.10 0.18 0.00 -0.87 0.00 0.00 66.00 64.96 1f62 h PRO 32 Cb 1.17 -0.25 -0.04 0.00 0.13 0.00 0.00 31.00 32.01 1f62 h PRO 32 CO 0.18 0.83 0.51 0.00 -0.23 0.00 0.00 178.00 179.29 1f62 h ALA 33 N 1.37 2.41 -1.21 -0.56 0.00 -1.91 -3.31 119.26 116.06 1f62 h ALA 33 Ca 0.32 -0.01 -0.53 0.00 0.00 0.00 0.00 54.91 54.69 1f62 h ALA 33 Cb -0.06 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.66 1f62 h ALA 33 CO -0.06 -0.62 1.22 -1.17 0.00 0.00 0.00 179.25 178.62 1f62 s LEU 34 N -9.00 3.30 -0.13 0.00 2.96 -0.71 -4.76 118.68 110.34 1f62 s LEU 34 Ca -0.06 -0.76 0.02 0.00 -0.22 0.00 0.00 54.13 53.11 1f62 s LEU 34 Cb 0.21 -2.56 -0.24 0.00 0.50 0.00 0.00 46.19 44.10 1f62 s LEU 34 CO 0.76 -1.89 0.30 -1.22 -1.32 0.00 0.00 176.35 172.98 1f62 n TYR 35 N 10.15 0.85 -4.32 5.38 4.01 -1.25 -3.56 117.16 128.42 1f62 n TYR 35 Ca 0.21 0.22 -0.24 0.00 -0.16 0.00 0.00 57.90 57.93 1f62 n TYR 35 Cb 0.50 -1.12 -0.08 0.00 -0.31 0.00 0.00 39.34 38.32 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 -2.55 2.14 0.77 -0.72 0.41 -1.26 -4.94 118.70 112.54 1f62 s GLU 36 Ca -0.19 -1.57 -0.14 0.00 -0.41 0.00 0.00 54.97 52.66 1f62 s GLU 36 Cb 0.07 -2.04 0.06 0.00 -1.78 0.00 0.00 34.13 30.45 1f62 s GLU 36 CO 0.76 0.29 1.20 0.14 -0.49 0.00 0.00 175.26 177.16 1f62 s VAL 37 N -2.41 2.21 0.00 2.63 -7.23 -1.26 -5.05 120.40 109.28 1f62 s VAL 37 Ca 0.32 0.09 0.00 0.00 -1.81 0.00 0.00 61.98 60.59 1f62 s VAL 37 Cb -0.04 -2.58 0.00 0.00 0.56 0.00 0.00 36.38 34.32 1f62 s VAL 37 CO 0.19 -0.06 0.00 -0.81 -0.31 0.00 0.00 175.10 174.11 1f62 n PRO 38 N -3.04 0.00 -0.88 4.82 -0.04 -1.26 -4.74 135.00 129.86 1f62 n PRO 38 Ca 0.13 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.43 1f62 n PRO 38 Cb 0.50 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.00 1f62 n PRO 38 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1f62 n ASP 39 N 0.00 6.33 0.00 3.54 8.00 -1.26 -4.96 116.55 128.20 1f62 n ASP 39 Ca 0.00 -3.05 0.00 0.00 0.71 0.00 0.00 54.79 52.45 1f62 n ASP 39 Cb 0.00 -1.04 0.00 0.00 -0.02 0.00 0.00 41.12 40.06 1f62 n ASP 39 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1f62 n GLY 40 N 0.33 1.31 3.74 0.44 0.00 -1.26 -4.74 105.19 105.00 1f62 n GLY 40 Ca 0.30 0.33 -0.41 0.00 0.00 0.00 0.00 46.02 46.24 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 0.00 4.33 -0.03 1.61 2.02 -1.26 -5.01 118.70 120.36 1f62 s GLU 41 Ca 0.00 2.17 -0.29 0.00 0.02 0.00 0.00 54.97 56.87 1f62 s GLU 41 Cb 0.00 -3.16 0.09 0.00 0.10 0.00 0.00 34.13 31.16 1f62 s GLU 41 CO 0.00 -0.35 0.81 -0.46 0.02 0.00 0.00 175.26 175.29 1f62 s TRP 42 N 0.18 -0.47 0.27 1.61 -0.11 -1.26 -5.00 118.94 114.15 1f62 s TRP 42 Ca 0.59 0.60 0.11 0.00 1.22 0.00 0.00 56.10 58.62 1f62 s TRP 42 Cb -0.39 0.48 -0.05 0.00 -1.50 0.00 0.00 33.47 32.01 1f62 s TRP 42 CO 0.39 -0.56 -0.18 -0.65 -4.62 0.00 0.00 176.95 171.33 1f62 s GLN 43 N -2.15 1.61 0.72 5.86 -0.21 -1.26 -4.15 119.66 120.07 1f62 s GLN 43 Ca -0.02 -1.73 -0.12 0.00 0.02 0.00 0.00 55.36 53.50 1f62 s GLN 43 Cb -0.01 -1.62 0.03 0.00 1.00 0.00 0.00 33.01 32.41 1f62 s GLN 43 CO -0.02 0.29 1.09 0.00 -2.12 0.00 0.00 175.29 174.54 1f62 h PRO 45 N -0.62 0.25 -0.25 0.00 0.11 -1.92 0.57 132.00 130.13 1f62 h PRO 45 Ca -0.45 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.53 1f62 h PRO 45 Cb 1.23 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1f62 h PRO 45 CO 0.53 0.16 -0.30 0.00 -0.21 0.00 0.00 178.00 178.18 1f62 h ALA 46 N 1.70 0.38 0.20 -0.75 0.00 -1.98 -2.35 119.26 116.46 1f62 h ALA 46 Ca 0.73 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1f62 h ALA 46 Cb 1.96 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1f62 h ALA 46 CO -0.46 0.40 -0.10 0.00 0.00 0.00 0.00 179.25 179.10 1f62 s GLN 48 N -3.35 0.90 0.12 0.00 0.74 -0.01 -4.99 119.66 113.08 1f62 s GLN 48 Ca -0.11 -0.58 -0.35 0.00 0.05 0.00 0.00 55.36 54.37 1f62 s GLN 48 Cb 0.00 -2.24 -0.16 0.00 1.10 0.00 0.00 33.01 31.72 1f62 s GLN 48 CO 0.42 -0.63 1.33 -2.30 -0.55 0.00 0.00 175.29 173.56 1f62 n PRO 49 N 4.95 1.33 -1.74 1.67 -0.02 -0.88 -3.24 135.00 137.07 1f62 n PRO 49 Ca -0.10 0.48 -0.43 0.00 -2.02 0.00 0.00 63.50 61.43 1f62 n PRO 49 Cb 0.46 -2.10 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 1f62 n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1f62 s ALA 50 N 0.35 2.93 -2.00 3.55 0.00 -1.26 -4.96 121.76 120.37 1f62 s ALA 50 Ca 0.80 0.72 0.05 0.00 0.00 0.00 0.00 51.96 53.54 1f62 s ALA 50 Cb -0.88 -4.01 0.31 0.00 0.00 0.00 0.00 23.12 18.54 1f62 s ALA 50 CO 0.47 -2.51 0.78 0.25 0.00 0.00 0.00 175.76 174.75