#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 3.98 0.31 0.00 1.81 -1.26 -4.77 118.95 119.01 1f62 s ARG 2 Ca 0.00 1.34 -0.29 0.00 -1.72 0.00 0.00 55.73 55.06 1f62 s ARG 2 Cb 0.00 -3.86 -0.10 0.00 -0.45 0.00 0.00 34.95 30.54 1f62 s ARG 2 CO 0.00 -1.04 1.23 0.00 -0.68 0.00 0.00 175.30 174.81 1f62 h LYS 4 N 3.56 0.40 0.07 0.00 1.57 -1.75 -3.02 116.57 117.39 1f62 h LYS 4 Ca -0.48 -0.51 -0.00 0.00 -1.87 0.00 0.00 60.65 57.78 1f62 h LYS 4 Cb 1.22 0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.70 1f62 h LYS 4 CO 0.66 1.18 -0.03 0.28 -0.57 0.00 0.00 179.45 180.97 1f62 h VAL 5 N 0.19 0.00 0.17 0.50 2.07 -1.94 -3.36 116.25 113.87 1f62 h VAL 5 Ca -0.11 -0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.11 1f62 h VAL 5 Cb 1.75 0.00 0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1f62 h VAL 5 CO 0.19 0.00 -1.25 0.00 0.02 0.00 0.00 177.57 176.53 1f62 n ARG 7 N -3.83 -6.00 -4.57 0.00 1.74 -1.14 -5.00 116.66 97.86 1f62 n ARG 7 Ca -0.15 0.64 -0.33 0.00 -0.77 0.00 0.00 57.85 57.25 1f62 n ARG 7 Cb 0.99 -5.56 -0.16 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 -6.55 3.15 -0.24 5.56 2.36 -1.26 -5.08 119.74 117.68 1f62 s LYS 8 Ca 0.63 -0.78 -0.29 0.00 -2.55 0.00 0.00 55.97 52.98 1f62 s LYS 8 Cb -0.31 -2.56 -0.02 0.00 -1.05 0.00 0.00 37.83 33.88 1f62 s LYS 8 CO 0.81 0.00 1.62 0.21 1.55 0.00 0.00 175.35 179.54 1f62 s LYS 9 N 0.82 3.73 0.00 4.03 2.47 -1.26 -4.69 119.74 124.85 1f62 s LYS 9 Ca -0.06 1.59 0.00 0.00 -1.56 0.00 0.00 55.97 55.94 1f62 s LYS 9 Cb -0.15 -4.05 0.00 0.00 -1.46 0.00 0.00 37.83 32.17 1f62 s LYS 9 CO -0.01 -1.37 0.00 0.41 0.16 0.00 0.00 175.35 174.54 1f62 n GLY 10 N 4.76 -1.42 2.07 5.54 0.00 -1.26 -5.01 105.19 109.87 1f62 n GLY 10 Ca 0.19 0.57 -0.24 0.00 0.00 0.00 0.00 46.02 46.54 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 -0.22 2.16 -1.54 1.61 0.00 -1.26 -4.80 120.64 116.59 1f62 n GLU 11 Ca 0.00 -2.26 -0.31 0.00 0.00 0.00 0.00 57.16 54.59 1f62 n GLU 11 Cb 0.00 -1.89 -0.06 0.00 0.00 0.00 0.00 31.44 29.50 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 -0.16 7.15 0.00 -1.84 8.00 -1.26 -4.59 116.55 123.85 1f62 n ASP 12 Ca 0.43 -2.96 0.00 0.00 0.71 0.00 0.00 54.79 52.98 1f62 n ASP 12 Cb 0.61 -1.36 0.00 0.00 -0.02 0.00 0.00 41.12 40.35 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 1.87 0.00 -3.64 -2.24 2.03 -1.26 -1.42 116.55 111.89 1f62 n ASP 13 Ca 0.57 0.06 -0.27 0.00 0.52 0.00 0.00 54.79 55.67 1f62 n ASP 13 Cb 0.46 -0.19 -0.10 0.00 -0.72 0.00 0.00 41.12 40.57 1f62 n ASP 13 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1f62 n LYS 14 N -1.60 1.46 -2.26 -0.67 4.81 -1.26 -4.32 118.16 114.32 1f62 n LYS 14 Ca 0.00 -4.10 -0.39 0.00 -0.87 0.00 0.00 58.31 52.96 1f62 n LYS 14 Cb 0.00 -2.04 -0.02 0.00 0.02 0.00 0.00 35.03 32.99 1f62 n LYS 14 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1f62 s LEU 15 N -1.25 4.21 -1.33 3.14 2.01 -1.26 -4.90 118.68 119.30 1f62 s LEU 15 Ca 0.30 2.40 -0.16 0.00 0.01 0.00 0.00 54.13 56.67 1f62 s LEU 15 Cb 0.03 -3.98 0.07 0.00 0.01 0.00 0.00 46.19 42.32 1f62 s LEU 15 CO -0.15 -0.68 1.85 0.00 1.01 0.00 0.00 176.35 178.39 1f62 n ILE 16 N 0.14 3.86 -2.10 -0.59 3.06 -0.10 -4.95 119.36 118.68 1f62 n ILE 16 Ca 0.04 -3.88 -0.43 0.00 -2.50 0.00 0.00 62.75 55.99 1f62 n ILE 16 Cb 0.46 -2.43 -0.03 0.00 0.54 0.00 0.00 39.64 38.18 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 3.33 4.03 0.16 9.51 1.43 -1.26 -3.25 118.68 132.62 1f62 s LEU 17 Ca 0.51 1.80 -0.31 0.00 -1.03 0.00 0.00 54.13 55.10 1f62 s LEU 17 Cb 0.06 -3.53 -0.08 0.00 0.03 0.00 0.00 46.19 42.67 1f62 s LEU 17 CO 0.03 -1.14 1.33 0.00 0.23 0.00 0.00 176.35 176.80 1f62 h ASP 19 N 6.03 -0.48 0.65 0.00 3.32 -1.25 -0.33 116.42 124.35 1f62 h ASP 19 Ca -0.43 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 56.66 1f62 h ASP 19 Cb 1.21 0.21 0.01 0.00 0.22 0.00 0.00 39.33 40.98 1f62 h ASP 19 CO 0.81 -0.22 -0.31 -0.08 -1.72 0.00 0.00 179.24 177.72 1f62 h GLU 20 N -0.24 -0.84 0.00 3.56 4.57 -1.92 -3.38 114.58 116.33 1f62 h GLU 20 Ca 0.07 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1f62 h GLU 20 Cb 0.34 0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1f62 h GLU 20 CO -0.20 -0.53 0.00 0.00 -1.18 0.00 0.00 179.01 177.11 1f62 n ASN 22 N -0.40 -2.61 -4.67 0.00 2.85 -0.13 -4.96 115.26 105.34 1f62 n ASN 22 Ca 0.00 -0.85 -0.39 0.00 -0.11 0.00 0.00 54.58 53.23 1f62 n ASN 22 Cb 0.21 -3.72 -0.06 0.00 1.24 0.00 0.00 39.78 37.45 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 -6.40 4.21 -0.30 1.20 1.02 -1.26 -4.79 119.74 113.42 1f62 s LYS 23 Ca 0.32 0.47 -0.29 0.00 0.02 0.00 0.00 55.97 56.49 1f62 s LYS 23 Cb -0.16 -3.55 -0.00 0.00 -0.52 0.00 0.00 37.83 33.59 1f62 s LYS 23 CO 0.84 -0.14 1.39 0.00 -0.92 0.00 0.00 175.35 176.53 1f62 s ALA 24 N 1.58 3.28 0.05 5.17 0.00 -1.26 -2.20 121.76 128.39 1f62 s ALA 24 Ca 0.26 0.14 0.06 0.00 0.00 0.00 0.00 51.96 52.41 1f62 s ALA 24 Cb -0.16 -3.82 -0.02 0.00 0.00 0.00 0.00 23.12 19.12 1f62 s ALA 24 CO 0.10 -1.92 -0.16 -0.06 0.00 0.00 0.00 175.76 173.71 1f62 s PHE 25 N 4.76 1.41 0.61 0.00 0.40 -1.20 -1.81 117.98 122.14 1f62 s PHE 25 Ca 0.60 -0.38 -0.08 0.00 -0.60 0.00 0.00 56.93 56.48 1f62 s PHE 25 Cb -0.18 -0.82 -0.00 0.00 0.51 0.00 0.00 43.02 42.53 1f62 s PHE 25 CO 0.26 0.07 0.95 -1.01 0.70 0.00 0.00 175.22 176.18 1f62 s HIS 26 N -0.93 3.34 0.11 0.36 3.76 -1.26 -0.92 115.29 119.76 1f62 s HIS 26 Ca 0.03 0.82 -0.23 0.00 -0.15 0.00 0.00 55.06 55.53 1f62 s HIS 26 Cb -0.09 -2.76 -0.08 0.00 1.11 0.00 0.00 32.58 30.77 1f62 s HIS 26 CO 0.02 -0.83 1.69 -0.07 -0.85 0.00 0.00 174.74 174.70 1f62 h LEU 27 N -0.25 -0.33 -0.44 0.89 3.38 -1.89 -1.26 115.31 115.41 1f62 h LEU 27 Ca -0.45 0.05 0.08 0.00 0.09 0.00 0.00 57.88 57.65 1f62 h LEU 27 Cb 1.24 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 42.07 1f62 h LEU 27 CO 0.62 -0.16 0.03 -0.26 0.09 0.00 0.00 178.44 178.76 1f62 h PHE 28 N -0.18 0.03 -0.08 1.13 0.04 -1.78 -0.13 116.94 115.98 1f62 h PHE 28 Ca 0.05 0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.77 1f62 h PHE 28 Cb 0.24 0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 1f62 h PHE 28 CO -0.18 -0.06 -0.30 0.00 -0.60 0.00 0.00 178.31 177.17 1f62 n LEU 30 N -4.14 0.01 -3.68 0.00 0.00 -0.49 -4.93 117.00 103.77 1f62 n LEU 30 Ca -0.01 0.89 -0.14 0.00 0.00 0.00 0.00 56.01 56.74 1f62 n LEU 30 Cb 0.38 -0.50 -0.08 0.00 0.00 0.00 0.00 43.42 43.22 1f62 n LEU 30 CO 0.39 -0.50 0.22 -0.13 0.00 0.00 0.00 177.39 177.38 1f62 s ARG 31 N -2.56 0.69 -0.54 1.96 0.52 -0.13 -4.86 118.95 114.03 1f62 s ARG 31 Ca 0.00 0.56 -0.07 0.00 -0.52 0.00 0.00 55.73 55.70 1f62 s ARG 31 Cb 0.00 0.33 -0.21 0.00 0.52 0.00 0.00 34.95 35.59 1f62 s ARG 31 CO 0.00 -0.12 3.36 -0.35 0.02 0.00 0.00 175.30 178.20 1f62 n PRO 32 N 2.35 2.53 0.00 3.54 -0.04 -1.14 -3.20 135.00 139.04 1f62 n PRO 32 Ca -0.15 -1.38 0.00 0.00 -0.04 0.00 0.00 63.50 61.93 1f62 n PRO 32 Cb 0.56 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 1f62 n PRO 32 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1f62 n ALA 33 N 2.88 2.84 -2.03 0.55 0.00 -1.26 -5.00 120.51 118.49 1f62 n ALA 33 Ca 0.54 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.56 1f62 n ALA 33 Cb 0.67 0.49 -0.03 0.00 0.00 0.00 0.00 19.45 20.59 1f62 n ALA 33 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1f62 s LEU 34 N -5.82 4.36 0.00 0.00 1.43 -1.19 -4.87 118.68 112.58 1f62 s LEU 34 Ca 0.00 2.41 0.00 0.00 -1.03 0.00 0.00 54.13 55.51 1f62 s LEU 34 Cb 0.00 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.65 1f62 s LEU 34 CO 0.00 -0.80 0.00 -1.22 0.23 0.00 0.00 176.35 174.56 1f62 n TYR 35 N 4.92 0.00 -3.23 0.29 4.01 -1.26 -4.43 117.16 117.46 1f62 n TYR 35 Ca 0.14 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.55 1f62 n TYR 35 Cb 0.41 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.38 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 -1.93 3.98 0.21 -0.72 0.41 -1.26 -5.05 118.70 114.34 1f62 s GLU 36 Ca 0.00 0.57 -0.30 0.00 -0.41 0.00 0.00 54.97 54.84 1f62 s GLU 36 Cb 0.00 -2.59 -0.08 0.00 -1.78 0.00 0.00 34.13 29.67 1f62 s GLU 36 CO 0.00 0.26 1.14 0.08 -0.49 0.00 0.00 175.26 176.25 1f62 s VAL 37 N -1.83 3.62 -1.05 2.63 1.01 -1.26 -4.97 120.40 118.55 1f62 s VAL 37 Ca 0.49 1.45 -0.22 0.00 0.00 0.00 0.00 61.98 63.70 1f62 s VAL 37 Cb -0.12 -3.93 0.03 0.00 0.00 0.00 0.00 36.38 32.37 1f62 s VAL 37 CO 0.19 0.27 1.59 -2.16 0.00 0.00 0.00 175.10 175.00 1f62 s PRO 38 N -0.66 3.44 -0.92 2.72 0.04 -1.26 -4.89 135.00 133.46 1f62 s PRO 38 Ca 0.49 -1.12 -0.20 0.00 0.04 0.00 0.00 61.00 60.22 1f62 s PRO 38 Cb -0.32 -5.33 -0.11 0.00 0.04 0.00 0.00 34.50 28.78 1f62 s PRO 38 CO 0.38 -2.48 2.00 -0.25 0.04 0.00 0.00 177.00 176.69 1f62 n ASP 39 N 9.87 2.94 0.17 6.66 9.92 -1.26 -3.49 116.55 141.35 1f62 n ASP 39 Ca 0.37 -2.69 0.00 0.00 -0.53 0.00 0.00 54.79 51.94 1f62 n ASP 39 Cb 0.49 -1.22 0.00 0.00 -0.64 0.00 0.00 41.12 39.75 1f62 n ASP 39 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1f62 n GLY 40 N 4.40 -1.53 3.03 0.44 0.00 -1.26 -5.14 105.19 105.14 1f62 n GLY 40 Ca 0.50 0.33 -0.10 0.00 0.00 0.00 0.00 46.02 46.75 1f62 n GLY 40 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1f62 s GLU 41 N -2.00 0.45 -0.23 1.61 1.03 -1.23 -5.15 118.70 113.18 1f62 s GLU 41 Ca 0.00 -0.78 -0.03 0.00 0.03 0.00 0.00 54.97 54.19 1f62 s GLU 41 Cb 0.00 -0.02 0.08 0.00 -0.80 0.00 0.00 34.13 33.38 1f62 s GLU 41 CO 0.00 -0.02 0.08 -1.58 -1.33 0.00 0.00 175.26 172.41 1f62 s TRP 42 N -1.89 0.80 0.35 4.83 0.51 -1.26 -4.67 118.94 117.61 1f62 s TRP 42 Ca -0.09 -0.91 0.05 0.00 -2.12 0.00 0.00 56.10 53.02 1f62 s TRP 42 Cb -0.07 -1.05 -0.07 0.00 -0.81 0.00 0.00 33.47 31.47 1f62 s TRP 42 CO -0.02 -0.69 0.04 -0.65 -0.51 0.00 0.00 176.95 175.12 1f62 s GLN 43 N 1.93 1.74 0.30 4.98 1.11 -1.26 -0.63 119.66 127.83 1f62 s GLN 43 Ca 0.04 -1.97 0.02 0.00 0.01 0.00 0.00 55.36 53.46 1f62 s GLN 43 Cb -0.17 -1.11 -0.05 0.00 -1.01 0.00 0.00 33.01 30.67 1f62 s GLN 43 CO -0.19 -0.14 0.09 0.00 0.01 0.00 0.00 175.29 175.06 1f62 h PRO 45 N 2.23 0.00 -0.45 0.00 0.11 -1.89 0.54 132.00 132.54 1f62 h PRO 45 Ca -0.39 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.65 1f62 h PRO 45 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1f62 h PRO 45 CO 0.63 0.02 -0.01 0.00 -0.21 0.00 0.00 178.00 178.43 1f62 h ALA 46 N 1.98 0.60 0.00 -0.75 0.00 -2.00 -2.87 119.26 116.22 1f62 h ALA 46 Ca -0.00 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.46 1f62 h ALA 46 Cb 0.33 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1f62 h ALA 46 CO 0.00 0.41 -0.81 0.00 0.00 0.00 0.00 179.25 178.86 1f62 n GLN 48 N -3.58 2.16 -1.82 0.00 6.02 0.07 -4.98 117.38 115.25 1f62 n GLN 48 Ca -0.01 -4.50 -0.42 0.00 -0.01 0.00 0.00 57.00 52.07 1f62 n GLN 48 Cb 0.78 -2.33 -0.02 0.00 1.02 0.00 0.00 30.24 29.69 1f62 n GLN 48 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1f62 n PRO 49 N 2.04 2.57 -2.15 -1.09 -0.04 -1.09 -4.44 135.00 130.79 1f62 n PRO 49 Ca 0.21 -2.58 -0.34 0.00 -0.04 0.00 0.00 63.50 60.75 1f62 n PRO 49 Cb 0.36 -3.29 0.01 0.00 -0.04 0.00 0.00 33.50 30.54 1f62 n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1f62 s ALA 50 N 4.33 2.67 0.00 0.55 0.00 -1.26 -5.16 121.76 122.89 1f62 s ALA 50 Ca 0.52 0.68 0.00 0.00 0.00 0.00 0.00 51.96 53.16 1f62 s ALA 50 Cb 0.11 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1f62 s ALA 50 CO 0.00 -0.83 0.00 2.41 0.00 0.00 0.00 175.76 177.34