#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 2.57 0.41 0.00 0.52 -1.26 -4.40 118.95 116.80 1f62 s ARG 2 Ca 0.00 -0.26 -0.25 0.00 -0.52 0.00 0.00 55.73 54.70 1f62 s ARG 2 Cb 0.00 -5.04 -0.08 0.00 0.52 0.00 0.00 34.95 30.35 1f62 s ARG 2 CO 0.00 -3.33 1.19 0.00 0.02 0.00 0.00 175.30 173.18 1f62 h LYS 4 N 2.55 -0.14 0.00 0.00 3.64 -1.93 -1.65 116.57 119.04 1f62 h LYS 4 Ca -0.49 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1f62 h LYS 4 Cb 1.24 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1f62 h LYS 4 CO 0.62 -0.09 0.00 0.28 -2.27 0.00 0.00 179.45 177.99 1f62 n VAL 5 N -5.24 0.00 0.11 2.00 0.31 -1.26 -4.02 118.33 110.23 1f62 n VAL 5 Ca -0.04 1.23 -0.03 0.00 -0.01 0.00 0.00 64.34 65.49 1f62 n VAL 5 Cb 0.16 -2.23 0.06 0.00 -0.91 0.00 0.00 33.84 30.92 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 -3.60 -2.19 -4.09 0.00 1.74 -0.62 -5.04 116.66 102.86 1f62 n ARG 7 Ca -0.01 0.58 -0.08 0.00 -0.77 0.00 0.00 57.85 57.57 1f62 n ARG 7 Cb 0.74 -4.71 -0.10 0.00 -1.02 0.00 0.00 32.46 27.37 1f62 n ARG 7 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1f62 s LYS 8 N -5.65 0.62 -0.36 5.56 1.02 -1.26 -4.96 119.74 114.71 1f62 s LYS 8 Ca 0.37 -1.15 -0.00 0.00 0.02 0.00 0.00 55.97 55.20 1f62 s LYS 8 Cb -0.11 0.09 0.12 0.00 -0.52 0.00 0.00 37.83 37.41 1f62 s LYS 8 CO 0.83 -0.08 0.17 0.21 -0.92 0.00 0.00 175.35 175.56 1f62 s LYS 9 N -3.52 0.77 0.00 1.68 2.20 -1.26 -3.49 119.74 116.12 1f62 s LYS 9 Ca 0.05 -1.34 0.00 0.00 -0.36 0.00 0.00 55.97 54.31 1f62 s LYS 9 Cb 0.05 -1.81 0.00 0.00 -1.51 0.00 0.00 37.83 34.56 1f62 s LYS 9 CO -0.07 -1.10 0.00 0.41 -0.36 0.00 0.00 175.35 174.23 1f62 n GLY 10 N 4.31 -0.51 1.62 5.54 0.00 -1.26 -4.96 105.19 109.93 1f62 n GLY 10 Ca 0.04 0.04 -0.03 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.27 1.23 -1.47 1.61 0.00 -1.26 -4.75 120.64 113.72 1f62 n GLU 11 Ca 0.00 -0.26 -0.39 0.00 0.00 0.00 0.00 57.16 56.50 1f62 n GLU 11 Cb 0.00 -1.22 -0.02 0.00 0.00 0.00 0.00 31.44 30.20 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 1.64 8.56 0.32 -1.84 8.00 -1.26 -4.52 116.55 127.44 1f62 n ASP 12 Ca 0.10 -2.71 -0.14 0.00 0.71 0.00 0.00 54.79 52.75 1f62 n ASP 12 Cb 0.58 -1.52 -0.07 0.00 -0.02 0.00 0.00 41.12 40.10 1f62 n ASP 12 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1f62 h ASP 13 N 4.92 -0.72 -0.62 -2.24 1.82 -2.03 -3.47 116.42 114.09 1f62 h ASP 13 Ca 0.84 0.00 0.16 0.00 -0.39 0.00 0.00 57.03 57.64 1f62 h ASP 13 Cb 0.29 0.19 -0.21 0.00 0.68 0.00 0.00 39.33 40.28 1f62 h ASP 13 CO 1.72 -0.33 -0.09 -0.75 -1.61 0.00 0.00 179.24 178.17 1f62 s LYS 14 N -4.50 0.35 -0.37 0.28 2.47 -1.26 -5.11 119.74 111.59 1f62 s LYS 14 Ca -0.13 0.53 -0.28 0.00 -1.56 0.00 0.00 55.97 54.52 1f62 s LYS 14 Cb 0.01 0.28 -0.01 0.00 -1.46 0.00 0.00 37.83 36.65 1f62 s LYS 14 CO 0.41 -0.47 1.71 -0.51 0.16 0.00 0.00 175.35 176.64 1f62 s LEU 15 N 2.91 3.51 -0.73 5.43 1.02 -1.26 -3.55 118.68 126.01 1f62 s LEU 15 Ca 0.12 1.12 -0.18 0.00 0.02 0.00 0.00 54.13 55.22 1f62 s LEU 15 Cb -0.10 -3.46 0.14 0.00 0.02 0.00 0.00 46.19 42.79 1f62 s LEU 15 CO -0.18 -1.68 0.82 -0.51 0.02 0.00 0.00 176.35 174.82 1f62 s ILE 16 N 6.65 4.98 0.54 -0.59 2.07 0.22 -4.94 121.20 130.14 1f62 s ILE 16 Ca 0.74 -1.48 -0.20 0.00 -1.41 0.00 0.00 60.65 58.30 1f62 s ILE 16 Cb -0.20 -4.56 -0.06 0.00 0.13 0.00 0.00 42.46 37.78 1f62 s ILE 16 CO 0.33 -1.20 1.14 -0.76 -1.91 0.00 0.00 174.94 172.54 1f62 s LEU 17 N 2.09 3.76 -0.11 8.50 1.02 -1.26 -3.81 118.68 128.88 1f62 s LEU 17 Ca 0.18 2.22 -0.30 0.00 0.02 0.00 0.00 54.13 56.25 1f62 s LEU 17 Cb -0.16 -4.55 -0.01 0.00 0.02 0.00 0.00 46.19 41.48 1f62 s LEU 17 CO -0.01 -1.23 1.04 0.00 0.02 0.00 0.00 176.35 176.17 1f62 h ASP 19 N 7.21 -0.11 0.39 0.00 3.58 -1.51 -0.17 116.42 125.80 1f62 h ASP 19 Ca -0.30 -0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.11 1f62 h ASP 19 Cb 1.14 0.03 -0.03 0.00 1.72 0.00 0.00 39.33 42.19 1f62 h ASP 19 CO 0.88 -0.04 -0.47 -0.08 -2.88 0.00 0.00 179.24 176.65 1f62 h GLU 20 N -0.18 -0.85 0.00 0.28 4.81 -1.93 -3.16 114.58 113.54 1f62 h GLU 20 Ca -0.01 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1f62 h GLU 20 Cb 0.14 0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1f62 h GLU 20 CO 0.02 -0.57 -1.36 0.00 -0.73 0.00 0.00 179.01 176.37 1f62 n ASN 22 N -2.29 -3.68 -4.77 0.00 2.85 -0.08 -5.06 115.26 102.24 1f62 n ASN 22 Ca -0.01 -0.38 -0.24 0.00 -0.11 0.00 0.00 54.58 53.85 1f62 n ASN 22 Cb 0.52 -3.51 -0.05 0.00 1.24 0.00 0.00 39.78 37.97 1f62 n ASN 22 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1f62 s LYS 23 N -5.45 2.76 -0.15 1.20 3.01 -1.24 -4.94 119.74 114.93 1f62 s LYS 23 Ca 0.22 -1.06 -0.08 0.00 -1.01 0.00 0.00 55.97 54.04 1f62 s LYS 23 Cb -0.10 -2.50 -0.04 0.00 -1.01 0.00 0.00 37.83 34.18 1f62 s LYS 23 CO 0.48 0.43 0.14 0.00 0.51 0.00 0.00 175.35 176.90 1f62 s ALA 24 N -2.00 3.80 -0.19 5.17 0.00 -1.26 -1.26 121.76 126.02 1f62 s ALA 24 Ca 0.31 -0.66 -0.08 0.00 0.00 0.00 0.00 51.96 51.53 1f62 s ALA 24 Cb -0.08 -2.05 0.08 0.00 0.00 0.00 0.00 23.12 21.06 1f62 s ALA 24 CO 0.23 0.43 0.43 -0.06 0.00 0.00 0.00 175.76 176.79 1f62 s PHE 25 N -0.47 -0.73 0.83 0.00 0.40 -1.25 -3.45 117.98 113.32 1f62 s PHE 25 Ca 0.12 1.45 -0.12 0.00 -0.60 0.00 0.00 56.93 57.79 1f62 s PHE 25 Cb -0.12 0.30 0.09 0.00 0.51 0.00 0.00 43.02 43.81 1f62 s PHE 25 CO 0.02 -0.42 1.10 -1.01 0.70 0.00 0.00 175.22 175.61 1f62 s HIS 26 N 2.05 2.70 0.18 0.36 3.76 -1.26 -0.61 115.29 122.47 1f62 s HIS 26 Ca -0.05 1.11 -0.16 0.00 -0.15 0.00 0.00 55.06 55.80 1f62 s HIS 26 Cb -0.10 -3.18 0.14 0.00 1.11 0.00 0.00 32.58 30.56 1f62 s HIS 26 CO -0.13 -1.97 1.65 -0.07 -0.85 0.00 0.00 174.74 173.37 1f62 h LEU 27 N -1.23 -0.49 -0.91 0.89 3.38 -1.89 -1.82 115.31 113.25 1f62 h LEU 27 Ca -0.48 0.15 0.15 0.00 0.09 0.00 0.00 57.88 57.79 1f62 h LEU 27 Cb 1.28 0.31 -0.09 0.00 0.09 0.00 0.00 40.66 42.25 1f62 h LEU 27 CO 0.59 -0.17 0.52 -0.26 0.09 0.00 0.00 178.44 179.21 1f62 h PHE 28 N -0.02 0.92 0.00 1.13 0.04 -1.78 -2.10 116.94 115.12 1f62 h PHE 28 Ca 0.23 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.97 1f62 h PHE 28 Cb 0.37 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 1f62 h PHE 28 CO -0.42 0.26 -0.29 0.00 -0.60 0.00 0.00 178.31 177.25 1f62 h LEU 30 N 0.00 -0.32 -7.00 0.00 3.38 -1.09 -3.48 115.31 106.80 1f62 h LEU 30 Ca -0.00 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 1f62 h LEU 30 Cb 0.87 0.08 -0.21 0.00 0.09 0.00 0.00 40.66 41.50 1f62 h LEU 30 CO 0.04 0.14 0.15 0.00 0.09 0.00 0.00 178.44 178.85 1f62 s ARG 31 N -3.87 0.83 0.31 1.13 1.70 -0.95 -4.91 118.95 113.18 1f62 s ARG 31 Ca -0.12 0.96 -0.00 0.00 -0.47 0.00 0.00 55.73 56.10 1f62 s ARG 31 Cb 0.01 0.41 0.51 0.00 -0.57 0.00 0.00 34.95 35.31 1f62 s ARG 31 CO 0.45 -0.10 1.95 -1.00 -1.08 0.00 0.00 175.30 175.52 1f62 h PRO 32 N 4.91 1.01 -0.27 3.89 0.13 -1.70 -1.68 132.00 138.28 1f62 h PRO 32 Ca -0.29 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1f62 h PRO 32 Cb 1.16 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1f62 h PRO 32 CO 0.06 0.67 0.00 0.00 -0.23 0.00 0.00 178.00 178.50 1f62 n ALA 33 N -2.41 2.52 -2.44 -0.56 0.00 -1.26 -4.63 120.51 111.73 1f62 n ALA 33 Ca 0.11 -0.30 -0.38 0.00 0.00 0.00 0.00 53.44 52.87 1f62 n ALA 33 Cb 0.10 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.53 1f62 n ALA 33 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1f62 s LEU 34 N -0.94 3.44 0.17 0.00 2.96 -0.63 -4.68 118.68 119.00 1f62 s LEU 34 Ca 0.11 -1.36 0.21 0.00 -0.22 0.00 0.00 54.13 52.87 1f62 s LEU 34 Cb 0.06 -2.57 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 1f62 s LEU 34 CO 0.07 -1.78 0.99 -1.22 -1.32 0.00 0.00 176.35 173.09 1f62 n TYR 35 N 10.03 0.98 -1.74 5.38 4.01 -1.26 -4.47 117.16 130.08 1f62 n TYR 35 Ca 0.36 0.30 -0.33 0.00 -0.16 0.00 0.00 57.90 58.06 1f62 n TYR 35 Cb 0.50 -0.99 0.05 0.00 -0.31 0.00 0.00 39.34 38.58 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 -3.25 2.77 -0.42 -0.72 8.01 -1.26 -5.04 118.70 118.78 1f62 s GLU 36 Ca -0.01 1.42 0.03 0.00 0.01 0.00 0.00 54.97 56.41 1f62 s GLU 36 Cb 0.09 -1.94 0.12 0.00 -4.31 0.00 0.00 34.13 28.09 1f62 s GLU 36 CO 0.80 -1.28 0.18 0.08 0.01 0.00 0.00 175.26 175.05 1f62 s VAL 37 N -2.31 1.92 -1.13 2.63 1.01 -1.26 -5.03 120.40 116.23 1f62 s VAL 37 Ca 0.67 -2.59 -0.08 0.00 0.00 0.00 0.00 61.98 59.98 1f62 s VAL 37 Cb -0.21 -2.37 0.27 0.00 0.00 0.00 0.00 36.38 34.07 1f62 s VAL 37 CO 0.41 -0.76 1.30 -0.81 0.00 0.00 0.00 175.10 175.24 1f62 n PRO 38 N 3.76 3.78 -1.26 2.72 -0.04 -1.26 -4.92 135.00 137.78 1f62 n PRO 38 Ca 0.05 -4.36 -0.37 0.00 -0.04 0.00 0.00 63.50 58.78 1f62 n PRO 38 Cb 0.37 -2.62 -0.02 0.00 -0.04 0.00 0.00 33.50 31.18 1f62 n PRO 38 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1f62 n ASP 39 N 2.74 5.09 0.00 3.54 2.03 -1.26 -2.64 116.55 126.05 1f62 n ASP 39 Ca 0.27 -2.61 0.00 0.00 0.52 0.00 0.00 54.79 52.97 1f62 n ASP 39 Cb 0.38 -1.38 0.00 0.00 -0.72 0.00 0.00 41.12 39.40 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 3.98 -0.34 2.44 0.27 0.00 -1.26 -4.98 105.19 105.31 1f62 n GLY 40 Ca 0.57 0.04 -0.39 0.00 0.00 0.00 0.00 46.02 46.24 1f62 n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1f62 n GLU 41 N -2.21 3.37 -2.39 1.61 1.02 -1.08 -4.88 120.64 116.08 1f62 n GLU 41 Ca 0.00 -2.24 -0.37 0.00 -0.02 0.00 0.00 57.16 54.53 1f62 n GLU 41 Cb 0.00 -2.89 -0.03 0.00 -0.02 0.00 0.00 31.44 28.50 1f62 n GLU 41 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1f62 s TRP 42 N 2.54 2.40 0.23 -0.32 0.52 -1.26 -4.88 118.94 118.16 1f62 s TRP 42 Ca 0.63 -0.66 0.01 0.00 0.02 0.00 0.00 56.10 56.09 1f62 s TRP 42 Cb 0.17 -4.47 -0.05 0.00 -1.15 0.00 0.00 33.47 27.96 1f62 s TRP 42 CO -0.06 -1.69 0.09 -0.65 0.02 0.00 0.00 176.95 174.66 1f62 s GLN 43 N 5.29 1.29 0.04 4.98 -1.52 -1.26 -1.26 119.66 127.23 1f62 s GLN 43 Ca 0.58 -1.68 0.01 0.00 -1.95 0.00 0.00 55.36 52.31 1f62 s GLN 43 Cb 0.01 -0.10 -0.03 0.00 -0.22 0.00 0.00 33.01 32.66 1f62 s GLN 43 CO 0.04 -0.30 -0.06 0.00 -0.25 0.00 0.00 175.29 174.73 1f62 n PRO 45 N 1.11 0.31 -0.03 0.00 -0.04 -1.26 -1.06 135.00 134.03 1f62 n PRO 45 Ca -0.20 0.09 -0.15 0.00 -0.04 0.00 0.00 63.50 63.19 1f62 n PRO 45 Cb 0.56 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.41 1f62 n PRO 45 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1f62 h ALA 46 N 2.76 0.03 0.14 0.55 0.00 -1.97 -3.40 119.26 117.37 1f62 h ALA 46 Ca 0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1f62 h ALA 46 Cb 0.07 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1f62 h ALA 46 CO 0.00 0.07 -0.07 0.00 0.00 0.00 0.00 179.25 179.26 1f62 s GLN 48 N -2.35 4.49 0.16 0.00 2.00 -0.23 -5.00 119.66 118.73 1f62 s GLN 48 Ca -0.06 1.80 -0.32 0.00 -2.00 0.00 0.00 55.36 54.78 1f62 s GLN 48 Cb 0.00 -3.29 -0.12 0.00 0.80 0.00 0.00 33.01 30.40 1f62 s GLN 48 CO 0.19 -0.12 1.75 -2.30 -0.50 0.00 0.00 175.29 174.31 1f62 n PRO 49 N 3.04 2.67 -3.65 1.67 -0.02 -1.26 -4.40 135.00 133.05 1f62 n PRO 49 Ca 0.06 0.97 -0.13 0.00 -2.02 0.00 0.00 63.50 62.38 1f62 n PRO 49 Cb 0.46 -2.82 -0.08 0.00 -0.02 0.00 0.00 33.50 31.04 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 1.84 -1.63 0.00 3.55 0.00 -1.26 -5.05 121.76 119.21 1f62 s ALA 50 Ca 0.79 1.93 0.00 0.00 0.00 0.00 0.00 51.96 54.68 1f62 s ALA 50 Cb -0.53 -1.12 0.00 0.00 0.00 0.00 0.00 23.12 21.47 1f62 s ALA 50 CO 0.36 -0.32 0.00 0.25 0.00 0.00 0.00 175.76 176.05