#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 3.46 0.74 0.00 3.00 -1.26 -4.49 118.95 120.39 1f62 s ARG 2 Ca 0.00 -1.64 -0.12 0.00 0.00 0.00 0.00 55.73 53.97 1f62 s ARG 2 Cb 0.00 -5.42 0.04 0.00 0.00 0.00 0.00 34.95 29.57 1f62 s ARG 2 CO 0.00 -2.83 1.10 0.00 0.00 0.00 0.00 175.30 173.57 1f62 h LYS 4 N -0.74 0.56 0.17 0.00 1.79 -1.50 -3.02 116.57 113.84 1f62 h LYS 4 Ca -0.45 -0.46 -0.01 0.00 -2.18 0.00 0.00 60.65 57.55 1f62 h LYS 4 Cb 1.24 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.99 1f62 h LYS 4 CO 0.52 1.09 -0.08 0.28 -1.08 0.00 0.00 179.45 180.17 1f62 h VAL 5 N 0.18 0.00 0.01 0.50 2.07 -1.95 -3.41 116.25 113.65 1f62 h VAL 5 Ca -0.04 -0.01 -0.41 0.00 0.82 0.00 0.00 66.70 67.06 1f62 h VAL 5 Cb 1.20 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 1f62 h VAL 5 CO 0.11 0.00 -2.34 0.00 0.02 0.00 0.00 177.57 175.37 1f62 n ARG 7 N -3.92 0.00 -1.66 0.00 0.63 -1.14 -4.96 116.66 105.62 1f62 n ARG 7 Ca -0.48 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.13 1f62 n ARG 7 Cb 0.91 -3.17 0.06 0.00 0.45 0.00 0.00 32.46 30.71 1f62 n ARG 7 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 1f62 s LYS 8 N -0.34 2.70 0.34 -0.14 -2.85 -1.26 -4.47 119.74 113.72 1f62 s LYS 8 Ca 0.00 1.33 0.01 0.00 -1.00 0.00 0.00 55.97 56.31 1f62 s LYS 8 Cb 0.00 -1.94 -0.03 0.00 -2.06 0.00 0.00 37.83 33.80 1f62 s LYS 8 CO 0.00 -1.32 0.53 0.21 0.10 0.00 0.00 175.35 174.87 1f62 s LYS 9 N -4.27 3.49 0.00 1.78 2.20 -1.26 -3.73 119.74 117.94 1f62 s LYS 9 Ca 0.66 -0.35 0.00 0.00 -0.36 0.00 0.00 55.97 55.91 1f62 s LYS 9 Cb -0.20 -2.68 0.00 0.00 -1.51 0.00 0.00 37.83 33.45 1f62 s LYS 9 CO 0.45 0.17 0.00 0.41 -0.36 0.00 0.00 175.35 176.02 1f62 n GLY 10 N -1.72 3.07 2.48 5.54 0.00 -1.26 -4.86 105.19 108.44 1f62 n GLY 10 Ca -0.05 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 44.97 1f62 n GLY 10 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1f62 n GLU 11 N 0.00 3.35 -1.43 1.61 4.71 -1.26 -4.75 120.64 122.87 1f62 n GLU 11 Ca 0.00 -2.34 -0.33 0.00 -0.01 0.00 0.00 57.16 54.48 1f62 n GLU 11 Cb 0.00 -2.98 -0.05 0.00 -1.01 0.00 0.00 31.44 27.39 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 4.57 7.68 0.00 1.62 8.00 -1.26 -2.33 116.55 134.82 1f62 n ASP 12 Ca 0.68 -2.75 0.00 0.00 0.71 0.00 0.00 54.79 53.43 1f62 n ASP 12 Cb 0.29 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 39.94 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 2.65 0.00 -2.73 -2.24 2.03 -1.26 -4.92 116.55 110.07 1f62 n ASP 13 Ca 0.65 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.93 1f62 n ASP 13 Cb 0.40 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.82 1f62 n ASP 13 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1f62 s LYS 14 N 0.00 0.57 0.89 -0.67 -2.85 -1.26 -5.14 119.74 111.27 1f62 s LYS 14 Ca 0.00 -0.53 -0.11 0.00 -1.00 0.00 0.00 55.97 54.32 1f62 s LYS 14 Cb 0.00 -0.02 0.12 0.00 -2.06 0.00 0.00 37.83 35.87 1f62 s LYS 14 CO 0.00 -0.71 1.09 -0.51 0.10 0.00 0.00 175.35 175.32 1f62 s LEU 15 N 1.03 2.31 -0.07 2.77 1.02 -1.26 -4.62 118.68 119.86 1f62 s LEU 15 Ca 0.25 1.48 -0.03 0.00 0.02 0.00 0.00 54.13 55.86 1f62 s LEU 15 Cb 0.07 -3.92 0.04 0.00 0.02 0.00 0.00 46.19 42.39 1f62 s LEU 15 CO -0.09 -2.57 0.13 -0.51 0.02 0.00 0.00 176.35 173.34 1f62 s ILE 16 N -2.95 -0.14 -0.12 -0.59 2.07 -0.04 -4.99 121.20 114.44 1f62 s ILE 16 Ca 0.63 0.27 -0.05 0.00 -1.41 0.00 0.00 60.65 60.09 1f62 s ILE 16 Cb -0.18 -0.24 -0.04 0.00 0.13 0.00 0.00 42.46 42.14 1f62 s ILE 16 CO 0.57 0.11 0.06 -0.76 -1.91 0.00 0.00 174.94 173.01 1f62 s LEU 17 N 1.67 3.92 -0.10 8.50 1.02 -1.26 -1.19 118.68 131.23 1f62 s LEU 17 Ca -0.03 0.23 -0.29 0.00 0.02 0.00 0.00 54.13 54.06 1f62 s LEU 17 Cb -0.12 -1.94 -0.04 0.00 0.02 0.00 0.00 46.19 44.11 1f62 s LEU 17 CO -0.05 0.33 1.52 0.00 0.02 0.00 0.00 176.35 178.17 1f62 h ASP 19 N 9.18 0.05 0.79 0.00 3.58 -1.93 -1.03 116.42 127.06 1f62 h ASP 19 Ca -0.35 0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.11 1f62 h ASP 19 Cb 1.15 0.05 0.01 0.00 1.72 0.00 0.00 39.33 42.26 1f62 h ASP 19 CO 0.96 0.06 -0.38 -0.08 -2.88 0.00 0.00 179.24 176.93 1f62 h GLU 20 N 0.20 -1.02 0.00 0.28 4.81 -1.91 -3.36 114.58 113.59 1f62 h GLU 20 Ca 0.15 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1f62 h GLU 20 Cb 0.15 0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1f62 h GLU 20 CO -0.18 -0.68 -0.01 0.00 -0.73 0.00 0.00 179.01 177.41 1f62 n ASN 22 N -1.31 -6.98 -4.03 0.00 2.85 -0.39 -5.00 115.26 100.40 1f62 n ASN 22 Ca 0.14 -0.31 -0.31 0.00 -0.11 0.00 0.00 54.58 53.99 1f62 n ASN 22 Cb 0.60 -4.29 -0.15 0.00 1.24 0.00 0.00 39.78 37.18 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 -3.53 1.67 0.09 1.20 -0.14 -1.24 -4.90 119.74 112.89 1f62 s LYS 23 Ca 0.01 -1.76 -0.31 0.00 -1.36 0.00 0.00 55.97 52.55 1f62 s LYS 23 Cb -0.00 -3.15 -0.07 0.00 -1.68 0.00 0.00 37.83 32.93 1f62 s LYS 23 CO 0.79 -0.86 1.40 0.00 -0.76 0.00 0.00 175.35 175.92 1f62 s ALA 24 N 0.95 3.58 -0.02 5.17 0.00 -1.26 -1.51 121.76 128.68 1f62 s ALA 24 Ca 0.06 1.06 -0.06 0.00 0.00 0.00 0.00 51.96 53.03 1f62 s ALA 24 Cb -0.19 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1f62 s ALA 24 CO -0.07 -0.69 0.12 -0.06 0.00 0.00 0.00 175.76 175.06 1f62 s PHE 25 N 1.45 -0.01 0.44 0.00 0.40 -0.33 -1.13 117.98 118.80 1f62 s PHE 25 Ca 0.65 0.01 -0.06 0.00 -0.60 0.00 0.00 56.93 56.92 1f62 s PHE 25 Cb -0.35 -0.03 -0.04 0.00 0.51 0.00 0.00 43.02 43.11 1f62 s PHE 25 CO 0.29 -0.21 0.75 -1.01 0.70 0.00 0.00 175.22 175.75 1f62 s HIS 26 N -0.89 3.53 0.23 0.36 3.76 -1.26 -0.86 115.29 120.16 1f62 s HIS 26 Ca -0.10 0.83 -0.07 0.00 -0.15 0.00 0.00 55.06 55.58 1f62 s HIS 26 Cb -0.06 -2.30 0.36 0.00 1.11 0.00 0.00 32.58 31.70 1f62 s HIS 26 CO 0.01 -0.19 1.73 -0.07 -0.85 0.00 0.00 174.74 175.38 1f62 h LEU 27 N 0.60 0.22 -0.08 0.89 3.38 -1.84 -1.66 115.31 116.82 1f62 h LEU 27 Ca -0.47 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 1f62 h LEU 27 Cb 1.20 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 1f62 h LEU 27 CO 0.62 0.11 0.02 -0.26 0.09 0.00 0.00 178.44 179.02 1f62 h PHE 28 N 0.41 0.13 -0.41 1.13 0.04 -1.71 -2.47 116.94 114.05 1f62 h PHE 28 Ca 0.36 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 61.11 1f62 h PHE 28 Cb 0.50 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.59 1f62 h PHE 28 CO -0.18 0.29 0.26 0.00 -0.60 0.00 0.00 178.31 178.08 1f62 n LEU 30 N -4.46 0.12 -3.71 0.00 4.77 -0.66 -4.96 117.00 108.10 1f62 n LEU 30 Ca 0.03 0.73 -0.13 0.00 -0.03 0.00 0.00 56.01 56.62 1f62 n LEU 30 Cb 0.07 -0.28 -0.07 0.00 -2.33 0.00 0.00 43.42 40.81 1f62 n LEU 30 CO 0.36 -0.28 0.09 -0.13 -1.33 0.00 0.00 177.39 176.09 1f62 s ARG 31 N -1.98 0.83 0.24 3.23 1.81 -0.94 -5.04 118.95 117.10 1f62 s ARG 31 Ca 0.00 -0.37 -0.05 0.00 -1.72 0.00 0.00 55.73 53.60 1f62 s ARG 31 Cb 0.00 0.37 0.26 0.00 -0.45 0.00 0.00 34.95 35.13 1f62 s ARG 31 CO 0.00 -0.27 1.77 -1.00 -0.68 0.00 0.00 175.30 175.12 1f62 h PRO 32 N 3.25 0.98 -0.94 3.54 0.13 -1.81 -2.88 132.00 134.27 1f62 h PRO 32 Ca -0.31 -0.22 0.24 0.00 -0.87 0.00 0.00 66.00 64.85 1f62 h PRO 32 Cb 1.20 -0.14 -0.13 0.00 0.13 0.00 0.00 31.00 32.06 1f62 h PRO 32 CO 0.44 0.87 0.46 0.00 -0.23 0.00 0.00 178.00 179.54 1f62 h ALA 33 N 1.22 1.59 -0.85 -0.56 0.00 -1.94 -2.98 119.26 115.74 1f62 h ALA 33 Ca 0.20 0.16 -0.56 0.00 0.00 0.00 0.00 54.91 54.71 1f62 h ALA 33 Cb 0.34 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.18 1f62 h ALA 33 CO 0.00 -0.37 1.67 -0.51 0.00 0.00 0.00 179.25 180.04 1f62 s LEU 34 N -10.46 3.54 -0.10 0.00 1.02 -1.09 -4.70 118.68 106.90 1f62 s LEU 34 Ca -0.11 -1.85 -0.15 0.00 0.02 0.00 0.00 54.13 52.03 1f62 s LEU 34 Cb 0.27 -2.58 -0.13 0.00 0.02 0.00 0.00 46.19 43.77 1f62 s LEU 34 CO 0.78 -1.74 0.47 1.88 0.02 0.00 0.00 176.35 177.77 1f62 h TYR 35 N 8.95 -0.05 -1.49 0.29 0.05 -1.76 -3.32 116.97 119.64 1f62 h TYR 35 Ca 0.30 -0.00 -0.50 0.00 0.05 0.00 0.00 58.73 58.59 1f62 h TYR 35 Cb 0.94 0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.66 1f62 h TYR 35 CO 1.33 0.41 -0.37 -1.21 -1.05 0.00 0.00 178.16 177.27 1f62 s GLU 36 N -2.21 2.52 0.39 4.88 0.41 -1.26 -4.84 118.70 118.59 1f62 s GLU 36 Ca -0.10 -1.55 -0.26 0.00 -0.41 0.00 0.00 54.97 52.65 1f62 s GLU 36 Cb -0.01 -2.37 -0.09 0.00 -1.78 0.00 0.00 34.13 29.89 1f62 s GLU 36 CO 0.36 -0.21 1.25 0.54 -0.49 0.00 0.00 175.26 176.71 1f62 s VAL 37 N -2.48 2.82 -0.46 2.63 0.11 -1.26 -4.97 120.40 116.79 1f62 s VAL 37 Ca 0.48 0.73 -0.29 0.00 -2.93 0.00 0.00 61.98 59.97 1f62 s VAL 37 Cb -0.03 -3.43 0.02 0.00 -1.53 0.00 0.00 36.38 31.41 1f62 s VAL 37 CO 0.28 0.10 1.21 -2.16 -3.33 0.00 0.00 175.10 171.20 1f62 s PRO 38 N -2.19 3.69 -1.30 1.54 0.04 -1.26 -4.94 135.00 130.58 1f62 s PRO 38 Ca 0.56 0.67 -0.14 0.00 0.04 0.00 0.00 61.00 62.13 1f62 s PRO 38 Cb -0.36 -3.93 -0.03 0.00 0.04 0.00 0.00 34.50 30.22 1f62 s PRO 38 CO 0.46 -1.42 2.29 -3.47 0.04 0.00 0.00 177.00 174.89 1f62 n ASP 39 N 8.08 4.54 -2.93 6.66 2.03 -1.26 -4.77 116.55 128.89 1f62 n ASP 39 Ca 0.13 -2.72 0.03 0.00 0.52 0.00 0.00 54.79 52.75 1f62 n ASP 39 Cb 0.49 -1.48 0.01 0.00 -0.72 0.00 0.00 41.12 39.41 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 4.07 0.20 3.77 0.27 0.00 -1.26 -5.15 105.19 107.09 1f62 n GLY 40 Ca 0.56 -0.94 -0.40 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.00 4.08 -0.00 1.61 2.02 -1.26 -5.02 118.70 118.12 1f62 s GLU 41 Ca 0.21 2.31 -0.29 0.00 0.02 0.00 0.00 54.97 57.22 1f62 s GLU 41 Cb -0.00 -2.89 0.07 0.00 0.10 0.00 0.00 34.13 31.41 1f62 s GLU 41 CO -0.02 -0.46 0.66 -0.46 0.02 0.00 0.00 175.26 175.01 1f62 s TRP 42 N -1.18 -0.63 0.14 1.61 -0.11 -1.26 -5.12 118.94 112.39 1f62 s TRP 42 Ca 0.54 0.96 -0.01 0.00 1.22 0.00 0.00 56.10 58.81 1f62 s TRP 42 Cb -0.41 0.44 -0.04 0.00 -1.50 0.00 0.00 33.47 31.96 1f62 s TRP 42 CO 0.55 -0.66 0.07 -0.65 -4.62 0.00 0.00 176.95 171.64 1f62 s GLN 43 N -1.74 0.97 0.64 5.86 -0.21 -1.26 -4.35 119.66 119.57 1f62 s GLN 43 Ca -0.08 -1.46 -0.16 0.00 0.02 0.00 0.00 55.36 53.68 1f62 s GLN 43 Cb -0.00 0.25 -0.01 0.00 1.00 0.00 0.00 33.01 34.25 1f62 s GLN 43 CO 0.05 -0.28 1.12 0.00 -2.12 0.00 0.00 175.29 174.05 1f62 n PRO 45 N -2.22 0.25 -0.15 0.00 -0.04 -1.26 -1.48 135.00 130.11 1f62 n PRO 45 Ca 0.11 0.12 -0.12 0.00 -0.04 0.00 0.00 63.50 63.57 1f62 n PRO 45 Cb 0.52 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.47 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 2.79 0.64 -0.04 0.55 0.00 -2.01 -2.69 119.26 118.49 1f62 h ALA 46 Ca 0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1f62 h ALA 46 Cb 0.15 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1f62 h ALA 46 CO 0.00 0.63 -0.06 0.00 0.00 0.00 0.00 179.25 179.82 1f62 s GLN 48 N -4.08 2.05 -1.03 0.00 -2.07 -1.08 -5.04 119.66 108.42 1f62 s GLN 48 Ca -0.16 -2.72 -0.25 0.00 -1.82 0.00 0.00 55.36 50.41 1f62 s GLN 48 Cb 0.02 -3.34 -0.16 0.00 -1.09 0.00 0.00 33.01 28.44 1f62 s GLN 48 CO 0.70 -1.13 2.12 -2.14 -1.32 0.00 0.00 175.29 173.52 1f62 s PRO 49 N -0.45 1.70 -1.26 9.60 0.02 -1.02 -4.39 135.00 139.21 1f62 s PRO 49 Ca 0.18 -0.39 -0.15 0.00 0.02 0.00 0.00 61.00 60.66 1f62 s PRO 49 Cb -0.23 -5.01 -0.04 0.00 0.02 0.00 0.00 34.50 29.24 1f62 s PRO 49 CO -0.02 -4.73 2.26 0.00 -0.33 0.00 0.00 177.00 174.18 1f62 n ALA 50 N 17.71 5.22 -1.24 -1.55 0.00 -1.26 -5.15 120.51 134.24 1f62 n ALA 50 Ca 0.43 -3.49 0.00 0.00 0.00 0.00 0.00 53.44 50.38 1f62 n ALA 50 Cb 0.46 -3.49 0.00 0.00 0.00 0.00 0.00 19.45 16.42 1f62 n ALA 50 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75