#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 0.81 0.44 0.00 1.70 -1.26 -4.66 118.95 115.97 1f62 s ARG 2 Ca 0.00 -0.42 -0.15 0.00 -0.47 0.00 0.00 55.73 54.69 1f62 s ARG 2 Cb 0.00 0.35 -0.08 0.00 -0.57 0.00 0.00 34.95 34.65 1f62 s ARG 2 CO 0.00 -0.26 0.88 0.00 -1.08 0.00 0.00 175.30 174.84 1f62 h LYS 4 N 1.37 0.24 0.00 0.00 3.64 -1.37 -3.25 116.57 117.20 1f62 h LYS 4 Ca -0.47 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 58.49 1f62 h LYS 4 Cb 1.18 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 1f62 h LYS 4 CO 0.63 1.20 0.00 0.28 -2.27 0.00 0.00 179.45 179.29 1f62 n VAL 5 N -4.01 0.00 0.53 2.00 0.31 -1.23 -3.46 118.33 112.46 1f62 n VAL 5 Ca -0.22 0.96 0.10 0.00 -0.01 0.00 0.00 64.34 65.17 1f62 n VAL 5 Cb 0.86 -1.86 0.43 0.00 -0.91 0.00 0.00 33.84 32.36 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 -1.88 -1.84 -3.60 0.00 0.63 -1.23 -5.01 116.66 103.73 1f62 n ARG 7 Ca 0.04 1.11 -0.16 0.00 -0.92 0.00 0.00 57.85 57.91 1f62 n ARG 7 Cb 0.24 -5.73 -0.07 0.00 0.45 0.00 0.00 32.46 27.35 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 -3.82 0.90 0.13 -0.14 2.20 -1.23 -4.96 119.74 112.82 1f62 s LYS 8 Ca 0.27 0.39 0.10 0.00 -0.36 0.00 0.00 55.97 56.37 1f62 s LYS 8 Cb -0.04 0.43 -0.04 0.00 -1.51 0.00 0.00 37.83 36.67 1f62 s LYS 8 CO 0.73 -0.23 -0.23 0.21 -0.36 0.00 0.00 175.35 175.47 1f62 s LYS 9 N -0.73 1.59 0.00 4.03 2.20 -1.26 -1.49 119.74 124.08 1f62 s LYS 9 Ca -0.08 -1.27 0.00 0.00 -0.36 0.00 0.00 55.97 54.26 1f62 s LYS 9 Cb -0.02 -2.00 0.00 0.00 -1.51 0.00 0.00 37.83 34.30 1f62 s LYS 9 CO 0.06 0.46 0.00 0.41 -0.36 0.00 0.00 175.35 175.93 1f62 n GLY 10 N 0.83 2.47 2.54 5.54 0.00 -1.26 -4.97 105.19 110.33 1f62 n GLY 10 Ca -0.17 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 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 2.88 -1.15 1.61 4.71 -1.26 -4.78 120.64 122.64 1f62 n GLU 11 Ca 0.00 -2.00 -0.34 0.00 -0.01 0.00 0.00 57.16 54.81 1f62 n GLU 11 Cb 0.00 -2.78 -0.03 0.00 -1.01 0.00 0.00 31.44 27.62 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 4.51 7.70 0.00 1.62 9.92 -1.26 -4.59 116.55 134.44 1f62 n ASP 12 Ca 0.62 -2.50 0.00 0.00 -0.53 0.00 0.00 54.79 52.38 1f62 n ASP 12 Cb 0.24 -1.43 0.00 0.00 -0.64 0.00 0.00 41.12 39.29 1f62 n ASP 12 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1f62 n ASP 13 N 3.73 0.00 -2.88 -2.24 2.03 -1.26 -4.93 116.55 110.99 1f62 n ASP 13 Ca 0.69 0.19 -0.03 0.00 0.52 0.00 0.00 54.79 56.16 1f62 n ASP 13 Cb 0.21 -0.26 0.00 0.00 -0.72 0.00 0.00 41.12 40.36 1f62 n ASP 13 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1f62 s LYS 14 N -0.52 1.01 0.41 -0.67 2.20 -1.26 -5.15 119.74 115.76 1f62 s LYS 14 Ca 0.00 -0.86 -0.25 0.00 -0.36 0.00 0.00 55.97 54.50 1f62 s LYS 14 Cb 0.00 -0.01 -0.08 0.00 -1.51 0.00 0.00 37.83 36.23 1f62 s LYS 14 CO 0.00 -1.29 1.16 -0.51 -0.36 0.00 0.00 175.35 174.35 1f62 s LEU 15 N 1.12 4.17 -0.26 5.43 1.02 -1.26 -4.27 118.68 124.63 1f62 s LEU 15 Ca 0.26 2.32 0.01 0.00 0.02 0.00 0.00 54.13 56.74 1f62 s LEU 15 Cb -0.01 -4.06 0.07 0.00 0.02 0.00 0.00 46.19 42.21 1f62 s LEU 15 CO -0.06 -0.70 -0.01 -0.51 0.02 0.00 0.00 176.35 175.10 1f62 s ILE 16 N -1.45 1.47 0.17 -0.59 2.07 0.17 -5.01 121.20 118.04 1f62 s ILE 16 Ca 0.58 -1.39 -0.30 0.00 -1.41 0.00 0.00 60.65 58.13 1f62 s ILE 16 Cb -0.30 -1.87 -0.08 0.00 0.13 0.00 0.00 42.46 40.34 1f62 s ILE 16 CO 0.37 -0.29 1.22 -0.76 -1.91 0.00 0.00 174.94 173.58 1f62 s LEU 17 N 1.38 4.43 0.14 8.50 1.02 -1.26 -1.80 118.68 131.09 1f62 s LEU 17 Ca -0.00 2.24 -0.31 0.00 0.02 0.00 0.00 54.13 56.08 1f62 s LEU 17 Cb -0.18 -3.60 -0.08 0.00 0.02 0.00 0.00 46.19 42.34 1f62 s LEU 17 CO -0.10 -0.42 1.35 0.00 0.02 0.00 0.00 176.35 177.20 1f62 h ASP 19 N 6.28 -0.37 0.38 0.00 3.58 -1.49 -0.32 116.42 124.48 1f62 h ASP 19 Ca -0.43 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.01 1f62 h ASP 19 Cb 1.21 0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.36 1f62 h ASP 19 CO 0.83 -0.26 -0.18 -0.08 -2.88 0.00 0.00 179.24 176.67 1f62 h GLU 20 N -0.45 -0.49 -0.02 0.28 4.81 -1.93 -3.35 114.58 113.43 1f62 h GLU 20 Ca -0.05 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1f62 h GLU 20 Cb 0.35 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1f62 h GLU 20 CO 0.07 -0.28 0.00 0.00 -0.73 0.00 0.00 179.01 178.07 1f62 n ASN 22 N -0.34 -4.49 -4.40 0.00 5.15 -0.13 -4.99 115.26 106.05 1f62 n ASN 22 Ca 0.01 -0.89 -0.35 0.00 -0.60 0.00 0.00 54.58 52.75 1f62 n ASN 22 Cb 0.21 -4.01 -0.13 0.00 -0.53 0.00 0.00 39.78 35.32 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 -5.59 3.55 -0.55 1.20 1.02 -1.25 -4.88 119.74 113.24 1f62 s LYS 23 Ca 0.34 -0.55 -0.27 0.00 0.02 0.00 0.00 55.97 55.51 1f62 s LYS 23 Cb -0.10 -3.08 -0.01 0.00 -0.52 0.00 0.00 37.83 34.12 1f62 s LYS 23 CO 0.82 -0.07 1.73 0.00 -0.92 0.00 0.00 175.35 176.91 1f62 s ALA 24 N 1.20 2.47 0.11 5.17 0.00 -1.26 -1.39 121.76 128.06 1f62 s ALA 24 Ca 0.03 -0.49 0.04 0.00 0.00 0.00 0.00 51.96 51.54 1f62 s ALA 24 Cb -0.15 -4.20 -0.04 0.00 0.00 0.00 0.00 23.12 18.74 1f62 s ALA 24 CO 0.01 -3.41 0.06 -0.06 0.00 0.00 0.00 175.76 172.36 1f62 s PHE 25 N 7.86 3.11 0.65 0.00 0.40 -0.75 -0.91 117.98 128.35 1f62 s PHE 25 Ca 0.65 0.02 -0.08 0.00 -0.60 0.00 0.00 56.93 56.92 1f62 s PHE 25 Cb -0.14 -1.56 0.02 0.00 0.51 0.00 0.00 43.02 41.85 1f62 s PHE 25 CO 0.24 0.51 0.99 -1.01 0.70 0.00 0.00 175.22 176.65 1f62 s HIS 26 N -1.46 3.21 0.31 0.36 3.76 -1.26 -0.66 115.29 119.55 1f62 s HIS 26 Ca 0.29 0.74 0.03 0.00 -0.15 0.00 0.00 55.06 55.97 1f62 s HIS 26 Cb -0.11 -2.95 0.63 0.00 1.11 0.00 0.00 32.58 31.25 1f62 s HIS 26 CO 0.21 -1.07 1.88 -0.07 -0.85 0.00 0.00 174.74 174.84 1f62 h LEU 27 N -0.43 0.83 0.20 0.89 3.38 -1.86 -1.15 115.31 117.18 1f62 h LEU 27 Ca -0.45 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1f62 h LEU 27 Cb 1.27 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1f62 h LEU 27 CO 0.62 0.48 -0.18 -0.26 0.09 0.00 0.00 178.44 179.19 1f62 h PHE 28 N 0.91 -0.46 -0.11 1.13 0.04 -1.82 -3.10 116.94 113.54 1f62 h PHE 28 Ca 0.44 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 61.10 1f62 h PHE 28 Cb 0.44 0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.75 1f62 h PHE 28 CO -0.00 -0.27 -0.42 0.00 -0.60 0.00 0.00 178.31 177.02 1f62 h LEU 30 N 0.21 -0.43 -6.54 0.00 3.38 -1.29 -3.47 115.31 107.17 1f62 h LEU 30 Ca 0.02 0.03 0.17 0.00 0.09 0.00 0.00 57.88 58.19 1f62 h LEU 30 Cb 0.84 0.14 -0.24 0.00 0.09 0.00 0.00 40.66 41.49 1f62 h LEU 30 CO 0.07 -0.20 0.25 -0.60 0.09 0.00 0.00 178.44 178.05 1f62 s ARG 31 N -3.86 0.29 0.39 1.13 3.52 -1.08 -4.69 118.95 114.66 1f62 s ARG 31 Ca -0.05 0.70 0.06 0.00 -0.13 0.00 0.00 55.73 56.31 1f62 s ARG 31 Cb 0.01 0.39 0.80 0.00 -1.56 0.00 0.00 34.95 34.60 1f62 s ARG 31 CO 0.18 -0.10 2.03 -1.00 -0.81 0.00 0.00 175.30 175.61 1f62 h PRO 32 N 7.33 0.63 -0.90 5.12 0.13 -1.74 -0.08 132.00 142.48 1f62 h PRO 32 Ca -0.17 -0.04 0.22 0.00 -0.87 0.00 0.00 66.00 65.15 1f62 h PRO 32 Cb 1.12 -0.14 -0.12 0.00 0.13 0.00 0.00 31.00 31.99 1f62 h PRO 32 CO 0.09 0.42 0.40 0.00 -0.23 0.00 0.00 178.00 178.67 1f62 h ALA 33 N 1.69 1.44 -0.21 -0.56 0.00 -1.90 -2.70 119.26 117.02 1f62 h ALA 33 Ca 0.20 0.16 -0.66 0.00 0.00 0.00 0.00 54.91 54.61 1f62 h ALA 33 Cb 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1f62 h ALA 33 CO -0.05 -0.34 2.60 1.28 0.00 0.00 0.00 179.25 182.74 1f62 n LEU 34 N -5.04 5.56 -0.07 0.00 7.99 -0.05 -4.59 117.00 120.80 1f62 n LEU 34 Ca 0.22 -3.74 -0.13 0.00 -0.01 0.00 0.00 56.01 52.35 1f62 n LEU 34 Cb 0.66 -1.57 -0.06 0.00 -0.11 0.00 0.00 43.42 42.34 1f62 n LEU 34 CO 0.13 0.35 0.58 1.88 -1.51 0.00 0.00 177.39 178.82 1f62 h TYR 35 N 7.04 0.61 -4.22 -1.77 0.05 -1.68 -3.39 116.97 113.60 1f62 h TYR 35 Ca 0.48 -0.19 -0.48 0.00 0.05 0.00 0.00 58.73 58.60 1f62 h TYR 35 Cb 0.72 -0.13 0.12 0.00 1.01 0.00 0.00 36.73 38.46 1f62 h TYR 35 CO 1.39 0.86 0.31 -1.83 -1.05 0.00 0.00 178.16 177.83 1f62 s GLU 36 N -4.30 1.77 0.34 4.88 -1.05 -1.26 -4.89 118.70 114.19 1f62 s GLU 36 Ca -0.13 0.68 -0.27 0.00 -0.15 0.00 0.00 54.97 55.10 1f62 s GLU 36 Cb 0.07 -1.88 -0.09 0.00 -0.44 0.00 0.00 34.13 31.79 1f62 s GLU 36 CO 0.79 -1.85 1.11 0.54 0.95 0.00 0.00 175.26 176.80 1f62 s VAL 37 N -3.09 3.42 -0.21 1.83 0.11 -1.26 -5.01 120.40 116.19 1f62 s VAL 37 Ca 0.62 1.28 -0.28 0.00 -2.93 0.00 0.00 61.98 60.67 1f62 s VAL 37 Cb -0.16 -3.75 0.00 0.00 -1.53 0.00 0.00 36.38 30.94 1f62 s VAL 37 CO 0.55 0.19 0.97 -2.16 -3.33 0.00 0.00 175.10 171.32 1f62 s PRO 38 N -1.96 4.27 -0.72 1.54 0.04 -1.26 -4.96 135.00 131.95 1f62 s PRO 38 Ca 0.51 1.24 -0.06 0.00 0.04 0.00 0.00 61.00 62.74 1f62 s PRO 38 Cb -0.29 -3.62 -0.03 0.00 0.04 0.00 0.00 34.50 30.59 1f62 s PRO 38 CO 0.37 -0.54 2.92 -0.40 0.04 0.00 0.00 177.00 179.40 1f62 n ASP 39 N 6.00 6.89 0.00 6.66 5.75 -1.26 -4.55 116.55 136.03 1f62 n ASP 39 Ca 0.10 -2.92 0.00 0.00 -0.01 0.00 0.00 54.79 51.96 1f62 n ASP 39 Cb 0.47 -1.36 0.00 0.00 -1.03 0.00 0.00 41.12 39.20 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 1.88 -2.04 3.56 6.12 0.00 -1.26 -5.08 105.19 108.38 1f62 n GLY 40 Ca 0.55 0.77 -0.37 0.00 0.00 0.00 0.00 46.02 46.98 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 3.33 -1.22 1.61 8.01 -1.26 -4.89 118.70 124.28 1f62 s GLU 41 Ca 0.00 -1.08 -0.20 0.00 0.01 0.00 0.00 54.97 53.70 1f62 s GLU 41 Cb 0.00 -5.31 -0.03 0.00 -4.31 0.00 0.00 34.13 24.48 1f62 s GLU 41 CO 0.00 -2.63 1.87 0.91 0.01 0.00 0.00 175.26 175.42 1f62 n TRP 42 N 10.43 3.46 -4.49 1.61 7.02 -1.26 -4.89 117.44 129.31 1f62 n TRP 42 Ca 0.38 -2.10 -0.22 0.00 -1.02 0.00 0.00 57.50 54.55 1f62 n TRP 42 Cb 0.49 -2.56 -0.16 0.00 -2.42 0.00 0.00 31.31 26.66 1f62 n TRP 42 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 1f62 s GLN 43 N 5.33 1.15 0.48 -0.99 -1.52 -1.26 -1.12 119.66 121.73 1f62 s GLN 43 Ca 0.61 -0.38 -0.00 0.00 -1.95 0.00 0.00 55.36 53.64 1f62 s GLN 43 Cb 0.03 -1.05 0.00 0.00 -0.22 0.00 0.00 33.01 31.77 1f62 s GLN 43 CO 0.10 0.14 0.71 0.00 -0.25 0.00 0.00 175.29 176.00 1f62 h PRO 45 N 0.28 0.00 -0.43 0.00 0.11 -1.84 -0.27 132.00 129.86 1f62 h PRO 45 Ca -0.45 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.54 1f62 h PRO 45 Cb 1.26 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1f62 h PRO 45 CO 0.57 0.00 -0.18 0.00 -0.21 0.00 0.00 178.00 178.17 1f62 h ALA 46 N 1.33 0.87 0.07 -0.75 0.00 -1.97 -2.05 119.26 116.77 1f62 h ALA 46 Ca 0.37 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1f62 h ALA 46 Cb 1.76 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1f62 h ALA 46 CO -0.00 0.63 -0.04 0.00 0.00 0.00 0.00 179.25 179.84 1f62 s GLN 48 N -3.00 1.67 -0.03 0.00 0.74 -0.24 -4.99 119.66 113.81 1f62 s GLN 48 Ca -0.14 -2.69 -0.20 0.00 0.05 0.00 0.00 55.36 52.38 1f62 s GLN 48 Cb -0.00 -2.42 -0.13 0.00 1.10 0.00 0.00 33.01 31.55 1f62 s GLN 48 CO 0.52 -1.33 0.85 -1.00 -0.55 0.00 0.00 175.29 173.78 1f62 h PRO 49 N 5.58 -0.37 -0.31 1.67 0.13 -1.61 -3.38 132.00 133.72 1f62 h PRO 49 Ca 0.20 0.03 -0.27 0.00 -0.87 0.00 0.00 66.00 65.08 1f62 h PRO 49 Cb 0.84 0.08 -0.18 0.00 0.13 0.00 0.00 31.00 31.87 1f62 h PRO 49 CO 0.54 -0.06 -0.58 0.00 -0.23 0.00 0.00 178.00 177.68 1f62 n ALA 50 N -2.62 -0.71 -1.28 -0.56 0.00 -1.26 -4.96 120.51 109.12 1f62 n ALA 50 Ca -0.08 -1.72 0.00 0.00 0.00 0.00 0.00 53.44 51.64 1f62 n ALA 50 Cb 0.25 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1f62 n ALA 50 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91