#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 0.73 -0.26 0.00 1.81 -1.26 -3.42 118.95 116.54 1f62 s ARG 2 Ca 0.00 -1.26 -0.17 0.00 -1.72 0.00 0.00 55.73 52.58 1f62 s ARG 2 Cb 0.00 -0.03 0.08 0.00 -0.45 0.00 0.00 34.95 34.54 1f62 s ARG 2 CO 0.00 -0.05 0.66 0.00 -0.68 0.00 0.00 175.30 175.23 1f62 h LYS 4 N 6.60 0.00 0.00 0.00 1.57 -1.55 0.22 116.57 123.41 1f62 h LYS 4 Ca -0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1f62 h LYS 4 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1f62 h LYS 4 CO 0.15 0.19 0.00 0.28 -0.57 0.00 0.00 179.45 179.50 1f62 n VAL 5 N -3.48 0.00 0.02 0.50 0.31 -1.26 -4.51 118.33 109.91 1f62 n VAL 5 Ca -0.01 1.14 -0.13 0.00 -0.01 0.00 0.00 64.34 65.33 1f62 n VAL 5 Cb 0.36 -2.10 -0.14 0.00 -0.91 0.00 0.00 33.84 31.05 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 -3.27 -5.46 -3.82 0.00 1.74 0.75 -5.01 116.66 101.59 1f62 n ARG 7 Ca -0.18 0.78 -0.12 0.00 -0.77 0.00 0.00 57.85 57.56 1f62 n ARG 7 Cb 1.04 -5.64 -0.12 0.00 -1.02 0.00 0.00 32.46 26.72 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 -5.41 0.26 -0.12 5.56 2.20 -1.26 -4.93 119.74 116.04 1f62 s LYS 8 Ca 0.07 0.15 -0.15 0.00 -0.36 0.00 0.00 55.97 55.68 1f62 s LYS 8 Cb -0.01 0.12 -0.05 0.00 -1.51 0.00 0.00 37.83 36.38 1f62 s LYS 8 CO 0.76 -0.04 0.37 0.21 -0.36 0.00 0.00 175.35 176.28 1f62 s LYS 9 N -0.15 4.22 0.00 4.03 2.20 -1.22 -4.44 119.74 124.38 1f62 s LYS 9 Ca -0.02 0.25 0.00 0.00 -0.36 0.00 0.00 55.97 55.84 1f62 s LYS 9 Cb -0.02 -3.40 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 1f62 s LYS 9 CO 0.01 0.28 0.00 0.41 -0.36 0.00 0.00 175.35 175.69 1f62 n GLY 10 N 3.11 -1.75 2.27 5.54 0.00 -1.26 -5.00 105.19 108.10 1f62 n GLY 10 Ca -0.11 0.61 -0.30 0.00 0.00 0.00 0.00 46.02 46.22 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 3.22 -1.50 1.61 0.00 -1.26 -4.82 120.64 117.89 1f62 n GLU 11 Ca 0.00 -2.08 -0.36 0.00 0.00 0.00 0.00 57.16 54.72 1f62 n GLU 11 Cb 0.00 -2.47 -0.04 0.00 0.00 0.00 0.00 31.44 28.94 1f62 n GLU 11 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1f62 n ASP 12 N 2.65 8.04 0.00 -1.84 8.00 -1.26 -4.70 116.55 127.44 1f62 n ASP 12 Ca 0.62 -2.77 0.00 0.00 0.71 0.00 0.00 54.79 53.35 1f62 n ASP 12 Cb 0.47 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.10 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 2.73 0.00 -2.98 -2.24 2.03 -1.26 -4.81 116.55 110.02 1f62 n ASP 13 Ca 0.68 0.02 -0.14 0.00 0.52 0.00 0.00 54.79 55.87 1f62 n ASP 13 Cb 0.33 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.71 1f62 n ASP 13 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1f62 n LYS 14 N -0.48 0.56 -1.57 -0.67 5.02 -1.26 -5.10 118.16 114.65 1f62 n LYS 14 Ca 0.00 -2.45 -0.32 0.00 -2.02 0.00 0.00 58.31 53.52 1f62 n LYS 14 Cb 0.00 -1.46 0.06 0.00 -0.02 0.00 0.00 35.03 33.61 1f62 n LYS 14 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1f62 s LEU 15 N -0.13 3.26 -0.05 -0.35 1.02 -1.26 -4.48 118.68 116.68 1f62 s LEU 15 Ca 0.32 1.93 0.01 0.00 0.02 0.00 0.00 54.13 56.41 1f62 s LEU 15 Cb 0.10 -4.54 0.02 0.00 0.02 0.00 0.00 46.19 41.80 1f62 s LEU 15 CO -0.15 -1.78 -0.04 -0.51 0.02 0.00 0.00 176.35 173.89 1f62 s ILE 16 N -2.55 0.58 -0.01 -0.59 2.07 -0.11 -4.98 121.20 115.61 1f62 s ILE 16 Ca 0.65 -0.12 -0.15 0.00 -1.41 0.00 0.00 60.65 59.62 1f62 s ILE 16 Cb -0.19 -0.62 -0.06 0.00 0.13 0.00 0.00 42.46 41.72 1f62 s ILE 16 CO 0.47 0.25 0.43 -0.76 -1.91 0.00 0.00 174.94 173.42 1f62 s LEU 17 N 1.13 4.46 -0.07 8.50 1.02 -1.26 -0.90 118.68 131.56 1f62 s LEU 17 Ca -0.08 0.98 -0.30 0.00 0.02 0.00 0.00 54.13 54.75 1f62 s LEU 17 Cb -0.14 -2.62 -0.05 0.00 0.02 0.00 0.00 46.19 43.40 1f62 s LEU 17 CO -0.01 0.29 1.51 0.00 0.02 0.00 0.00 176.35 178.15 1f62 h ASP 19 N 8.82 0.29 0.80 0.00 3.58 -1.44 0.57 116.42 129.04 1f62 h ASP 19 Ca -0.36 0.07 -0.04 0.00 0.42 0.00 0.00 57.03 57.12 1f62 h ASP 19 Cb 1.16 0.03 0.01 0.00 1.72 0.00 0.00 39.33 42.24 1f62 h ASP 19 CO 0.95 0.18 -0.38 -0.08 -2.88 0.00 0.00 179.24 177.02 1f62 h GLU 20 N 0.46 -1.04 0.00 0.28 4.81 -1.92 -3.36 114.58 113.81 1f62 h GLU 20 Ca 0.30 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 1f62 h GLU 20 Cb 0.33 0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1f62 h GLU 20 CO -0.27 -0.69 -0.01 0.00 -0.73 0.00 0.00 179.01 177.31 1f62 n ASN 22 N -1.27 -3.28 -4.62 0.00 6.94 0.19 -4.95 115.26 108.27 1f62 n ASN 22 Ca 0.13 -0.96 -0.40 0.00 -0.02 0.00 0.00 54.58 53.32 1f62 n ASN 22 Cb 0.58 -3.02 -0.07 0.00 -2.36 0.00 0.00 39.78 34.91 1f62 n ASN 22 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1f62 s LYS 23 N -6.83 4.09 0.11 -3.83 1.02 -1.25 -4.84 119.74 108.21 1f62 s LYS 23 Ca 0.64 0.48 -0.30 0.00 0.02 0.00 0.00 55.97 56.81 1f62 s LYS 23 Cb -0.34 -3.66 -0.07 0.00 -0.52 0.00 0.00 37.83 33.24 1f62 s LYS 23 CO 0.90 -0.41 1.19 0.00 -0.92 0.00 0.00 175.35 176.11 1f62 s ALA 24 N 2.46 3.41 -0.03 5.17 0.00 -1.26 -1.55 121.76 129.96 1f62 s ALA 24 Ca 0.25 0.88 -0.05 0.00 0.00 0.00 0.00 51.96 53.04 1f62 s ALA 24 Cb -0.15 -3.43 0.01 0.00 0.00 0.00 0.00 23.12 19.55 1f62 s ALA 24 CO 0.09 -0.39 0.12 -0.06 0.00 0.00 0.00 175.76 175.52 1f62 s PHE 25 N 0.57 -0.07 0.52 0.00 0.40 -0.08 -1.22 117.98 118.10 1f62 s PHE 25 Ca 0.56 0.18 -0.16 0.00 -0.60 0.00 0.00 56.93 56.91 1f62 s PHE 25 Cb -0.30 0.01 -0.08 0.00 0.51 0.00 0.00 43.02 43.16 1f62 s PHE 25 CO 0.32 -0.13 0.98 -1.01 0.70 0.00 0.00 175.22 176.08 1f62 s HIS 26 N -0.38 3.46 0.22 0.36 3.76 -1.26 -0.94 115.29 120.52 1f62 s HIS 26 Ca -0.05 1.44 -0.08 0.00 -0.15 0.00 0.00 55.06 56.22 1f62 s HIS 26 Cb -0.03 -2.78 0.24 0.00 1.11 0.00 0.00 32.58 31.12 1f62 s HIS 26 CO 0.00 -0.38 1.86 -0.07 -0.85 0.00 0.00 174.74 175.30 1f62 h LEU 27 N 0.85 0.79 -0.16 0.89 3.38 -1.84 0.04 115.31 119.26 1f62 h LEU 27 Ca -0.47 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.55 1f62 h LEU 27 Cb 1.18 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.70 1f62 h LEU 27 CO 0.62 0.54 -0.38 -0.26 0.09 0.00 0.00 178.44 179.04 1f62 h PHE 28 N 0.94 -1.08 -0.09 1.13 0.04 -1.70 -1.09 116.94 115.07 1f62 h PHE 28 Ca 0.32 0.05 -0.12 0.00 2.80 0.00 0.00 57.97 61.01 1f62 h PHE 28 Cb 0.04 0.50 -0.01 0.00 2.20 0.00 0.00 35.95 38.68 1f62 h PHE 28 CO -0.04 -0.44 -0.47 0.00 -0.60 0.00 0.00 178.31 176.76 1f62 h LEU 30 N 0.19 -0.71 -7.05 0.00 6.46 -0.90 -3.46 115.31 109.85 1f62 h LEU 30 Ca 0.01 0.03 0.01 0.00 -0.12 0.00 0.00 57.88 57.82 1f62 h LEU 30 Cb 0.91 0.20 -0.22 0.00 -0.73 0.00 0.00 40.66 40.81 1f62 h LEU 30 CO 0.07 -0.47 -0.17 -0.60 -0.62 0.00 0.00 178.44 176.65 1f62 s ARG 31 N -6.07 0.53 0.51 1.25 3.52 -0.42 -4.76 118.95 113.52 1f62 s ARG 31 Ca -0.17 1.27 0.19 0.00 -0.13 0.00 0.00 55.73 56.89 1f62 s ARG 31 Cb 0.04 0.54 1.32 0.00 -1.56 0.00 0.00 34.95 35.29 1f62 s ARG 31 CO 0.63 -0.20 2.12 -1.00 -0.81 0.00 0.00 175.30 176.03 1f62 h PRO 32 N 7.78 0.00 0.00 5.12 0.13 -1.70 -0.24 132.00 143.08 1f62 h PRO 32 Ca -0.21 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.88 1f62 h PRO 32 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1f62 h PRO 32 CO 0.13 0.07 -0.17 0.00 -0.23 0.00 0.00 178.00 177.80 1f62 h ALA 33 N 1.93 0.95 -2.46 -0.56 0.00 -1.89 -3.46 119.26 113.77 1f62 h ALA 33 Ca -0.00 -0.16 -0.57 0.00 0.00 0.00 0.00 54.91 54.18 1f62 h ALA 33 Cb 0.13 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 1f62 h ALA 33 CO 0.01 0.22 0.31 -1.17 0.00 0.00 0.00 179.25 178.61 1f62 s LEU 34 N -6.45 4.22 0.00 0.00 2.96 -0.10 -4.89 118.68 114.41 1f62 s LEU 34 Ca 0.03 1.20 0.00 0.00 -0.22 0.00 0.00 54.13 55.14 1f62 s LEU 34 Cb 0.08 -3.21 0.00 0.00 0.50 0.00 0.00 46.19 43.56 1f62 s LEU 34 CO 0.64 -0.32 0.00 -1.22 -1.32 0.00 0.00 176.35 174.13 1f62 n TYR 35 N 4.81 0.00 -4.18 5.38 4.01 -1.26 -3.40 117.16 122.52 1f62 n TYR 35 Ca 0.03 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.54 1f62 n TYR 35 Cb 0.50 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.47 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 -1.43 2.68 0.16 -0.72 0.41 -1.26 -4.87 118.70 113.67 1f62 s GLU 36 Ca 0.00 -1.16 -0.30 0.00 -0.41 0.00 0.00 54.97 53.10 1f62 s GLU 36 Cb 0.00 -2.42 -0.08 0.00 -1.78 0.00 0.00 34.13 29.85 1f62 s GLU 36 CO 0.00 0.40 1.19 0.08 -0.49 0.00 0.00 175.26 176.44 1f62 s VAL 37 N -2.13 3.67 -0.59 2.63 1.01 -1.26 -4.99 120.40 118.74 1f62 s VAL 37 Ca 0.32 1.37 -0.22 0.00 0.00 0.00 0.00 61.98 63.46 1f62 s VAL 37 Cb -0.08 -3.88 0.07 0.00 0.00 0.00 0.00 36.38 32.49 1f62 s VAL 37 CO 0.23 0.20 0.84 -2.16 0.00 0.00 0.00 175.10 174.21 1f62 s PRO 38 N -0.04 3.16 -1.16 2.72 0.04 -1.26 -4.96 135.00 133.50 1f62 s PRO 38 Ca 0.53 -0.78 -0.15 0.00 0.04 0.00 0.00 61.00 60.65 1f62 s PRO 38 Cb -0.32 -4.16 -0.06 0.00 0.04 0.00 0.00 34.50 30.00 1f62 s PRO 38 CO 0.35 -1.56 2.20 -0.25 0.04 0.00 0.00 177.00 177.78 1f62 n ASP 39 N 7.09 4.17 0.00 6.66 8.00 -1.26 -3.37 116.55 137.84 1f62 n ASP 39 Ca -0.04 -2.67 0.00 0.00 0.71 0.00 0.00 54.79 52.79 1f62 n ASP 39 Cb 0.45 -1.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 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 4.14 -1.65 2.72 0.44 0.00 -1.26 -5.00 105.19 104.58 1f62 n GLY 40 Ca 0.54 0.58 -0.41 0.00 0.00 0.00 0.00 46.02 46.72 1f62 n GLY 40 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1f62 n GLU 41 N 0.00 2.75 -1.62 1.61 2.13 -1.22 -4.80 120.64 119.50 1f62 n GLU 41 Ca 0.00 -2.41 -0.40 0.00 0.66 0.00 0.00 57.16 55.01 1f62 n GLU 41 Cb 0.00 -3.15 -0.01 0.00 0.27 0.00 0.00 31.44 28.55 1f62 n GLU 41 CO 0.00 0.00 0.00 0.91 -0.41 0.00 0.00 177.13 177.63 1f62 n TRP 42 N 5.92 2.88 -4.17 4.31 8.01 -1.26 -4.79 117.44 128.34 1f62 n TRP 42 Ca 0.55 -3.00 -0.14 0.00 -1.31 0.00 0.00 57.50 53.60 1f62 n TRP 42 Cb 0.36 -2.41 -0.08 0.00 -2.01 0.00 0.00 31.31 27.18 1f62 n TRP 42 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 1f62 s GLN 43 N 2.04 1.51 0.25 -0.99 -0.21 -1.26 -1.05 119.66 119.95 1f62 s GLN 43 Ca 0.58 -1.68 0.10 0.00 0.02 0.00 0.00 55.36 54.37 1f62 s GLN 43 Cb 0.16 0.35 -0.05 0.00 1.00 0.00 0.00 33.01 34.47 1f62 s GLN 43 CO -0.07 -0.56 -0.16 0.00 -2.12 0.00 0.00 175.29 172.37 1f62 h PRO 45 N 2.39 0.24 -0.46 0.00 0.11 -1.93 0.25 132.00 132.60 1f62 h PRO 45 Ca -0.39 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.61 1f62 h PRO 45 Cb 1.24 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1f62 h PRO 45 CO 0.62 0.16 -0.07 0.00 -0.21 0.00 0.00 178.00 178.49 1f62 h ALA 46 N 1.55 0.63 0.00 -0.75 0.00 -1.99 -3.14 119.26 115.57 1f62 h ALA 46 Ca 0.58 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 55.03 1f62 h ALA 46 Cb 1.78 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 1f62 h ALA 46 CO -0.20 0.50 -0.71 0.00 0.00 0.00 0.00 179.25 178.84 1f62 s GLN 48 N -2.95 4.40 0.62 0.00 -0.21 -0.77 -4.97 119.66 115.78 1f62 s GLN 48 Ca 0.02 2.07 -0.16 0.00 0.02 0.00 0.00 55.36 57.30 1f62 s GLN 48 Cb 0.09 -3.17 -0.02 0.00 1.00 0.00 0.00 33.01 30.91 1f62 s GLN 48 CO 0.77 -0.21 1.12 -1.25 -2.12 0.00 0.00 175.29 173.60 1f62 s PRO 49 N -0.49 2.98 -1.43 2.91 0.04 -1.26 -4.91 135.00 132.84 1f62 s PRO 49 Ca 0.55 1.47 -0.14 0.00 0.04 0.00 0.00 61.00 62.91 1f62 s PRO 49 Cb -0.37 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.21 1f62 s PRO 49 CO 0.41 -1.12 2.31 0.00 0.04 0.00 0.00 177.00 178.64 1f62 n ALA 50 N -2.04 5.66 -0.80 8.56 0.00 -1.26 -5.15 120.51 125.48 1f62 n ALA 50 Ca 0.11 -3.77 0.00 0.00 0.00 0.00 0.00 53.44 49.78 1f62 n ALA 50 Cb 0.52 -3.52 0.00 0.00 0.00 0.00 0.00 19.45 16.45 1f62 n ALA 50 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75