#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 1.10 0.03 0.00 6.06 -1.26 -4.51 118.95 120.37 1f62 s ARG 2 Ca 0.00 -0.68 -0.04 0.00 -2.50 0.00 0.00 55.73 52.51 1f62 s ARG 2 Cb 0.00 0.48 -0.01 0.00 0.06 0.00 0.00 34.95 35.48 1f62 s ARG 2 CO 0.00 -0.44 0.06 0.00 -2.50 0.00 0.00 175.30 172.42 1f62 h LYS 4 N 3.92 -0.11 0.00 0.00 3.64 -1.66 -3.22 116.57 119.14 1f62 h LYS 4 Ca -0.32 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 1f62 h LYS 4 Cb 1.19 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1f62 h LYS 4 CO 0.49 0.25 0.00 0.28 -2.27 0.00 0.00 179.45 178.19 1f62 n VAL 5 N -4.97 0.00 0.04 2.00 0.31 -1.26 -4.36 118.33 110.09 1f62 n VAL 5 Ca -0.08 0.70 -0.11 0.00 -0.01 0.00 0.00 64.34 64.83 1f62 n VAL 5 Cb 0.22 -1.48 0.01 0.00 -0.91 0.00 0.00 33.84 31.67 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 -3.85 -2.01 -4.48 0.00 1.74 -1.22 -5.04 116.66 101.81 1f62 n ARG 7 Ca -0.05 0.71 -0.24 0.00 -0.77 0.00 0.00 57.85 57.51 1f62 n ARG 7 Cb 0.72 -5.18 -0.09 0.00 -1.02 0.00 0.00 32.46 26.88 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 -5.04 1.80 -0.38 5.56 1.02 -1.26 -4.97 119.74 116.47 1f62 s LYS 8 Ca 0.45 -2.06 0.02 0.00 0.02 0.00 0.00 55.97 54.40 1f62 s LYS 8 Cb -0.10 -0.68 0.16 0.00 -0.52 0.00 0.00 37.83 36.69 1f62 s LYS 8 CO 0.79 -0.36 0.31 0.21 -0.92 0.00 0.00 175.35 175.37 1f62 s LYS 9 N -3.80 0.72 0.09 1.68 2.20 -1.26 -4.33 119.74 115.04 1f62 s LYS 9 Ca 0.29 -1.53 0.00 0.00 -0.36 0.00 0.00 55.97 54.37 1f62 s LYS 9 Cb 0.05 -1.18 0.00 0.00 -1.51 0.00 0.00 37.83 35.19 1f62 s LYS 9 CO 0.15 -1.28 0.00 0.41 -0.36 0.00 0.00 175.35 174.27 1f62 n GLY 10 N 3.58 -1.84 2.17 5.54 0.00 -1.26 -4.96 105.19 108.42 1f62 n GLY 10 Ca 0.19 0.45 -0.19 0.00 0.00 0.00 0.00 46.02 46.47 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 -2.65 2.28 -1.76 1.61 0.00 -1.26 -4.77 120.64 114.09 1f62 n GLU 11 Ca 0.00 -1.52 -0.40 0.00 0.00 0.00 0.00 57.16 55.24 1f62 n GLU 11 Cb 0.00 -2.10 -0.01 0.00 0.00 0.00 0.00 31.44 29.32 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 2.07 7.97 0.01 -1.84 8.00 -1.26 -4.64 116.55 126.87 1f62 n ASP 12 Ca 0.47 -2.92 -0.00 0.00 0.71 0.00 0.00 54.79 53.05 1f62 n ASP 12 Cb 0.76 -1.45 -0.00 0.00 -0.02 0.00 0.00 41.12 40.40 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 4.87 -0.03 -1.97 -2.24 3.58 -2.01 -3.46 116.42 115.16 1f62 h ASP 13 Ca 0.74 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.83 1f62 h ASP 13 Cb 0.33 0.01 -0.31 0.00 1.72 0.00 0.00 39.33 41.07 1f62 h ASP 13 CO 1.62 0.00 -0.68 -0.54 -2.88 0.00 0.00 179.24 176.76 1f62 s LYS 14 N -1.80 0.59 -0.84 0.28 1.02 -1.26 -5.08 119.74 112.65 1f62 s LYS 14 Ca -0.00 -0.74 -0.25 0.00 0.02 0.00 0.00 55.97 54.99 1f62 s LYS 14 Cb 0.00 -0.71 -0.04 0.00 -0.52 0.00 0.00 37.83 36.56 1f62 s LYS 14 CO 0.01 -1.17 1.91 -0.51 -0.92 0.00 0.00 175.35 174.67 1f62 s LEU 15 N 1.58 3.21 -0.54 3.17 1.02 -1.26 -3.39 118.68 122.46 1f62 s LEU 15 Ca 0.16 -0.45 -0.28 0.00 0.02 0.00 0.00 54.13 53.57 1f62 s LEU 15 Cb -0.15 -2.55 0.01 0.00 0.02 0.00 0.00 46.19 43.52 1f62 s LEU 15 CO -0.08 -2.62 1.41 -0.51 0.02 0.00 0.00 176.35 174.57 1f62 s ILE 16 N 9.66 3.81 0.47 -0.59 2.07 -0.42 -4.87 121.20 131.33 1f62 s ILE 16 Ca 0.68 0.71 -0.22 0.00 -1.41 0.00 0.00 60.65 60.42 1f62 s ILE 16 Cb -0.08 -4.41 -0.08 0.00 0.13 0.00 0.00 42.46 38.02 1f62 s ILE 16 CO 0.04 -1.12 1.10 -0.76 -1.91 0.00 0.00 174.94 172.29 1f62 s LEU 17 N 5.97 3.94 0.02 8.50 1.02 -1.26 -2.61 118.68 134.25 1f62 s LEU 17 Ca 0.53 2.12 -0.30 0.00 0.02 0.00 0.00 54.13 56.50 1f62 s LEU 17 Cb -0.11 -4.39 -0.06 0.00 0.02 0.00 0.00 46.19 41.65 1f62 s LEU 17 CO 0.26 -0.86 1.42 0.00 0.02 0.00 0.00 176.35 177.19 1f62 h ASP 19 N 7.75 0.74 0.78 0.00 2.03 -1.48 0.35 116.42 126.57 1f62 h ASP 19 Ca -0.39 -0.02 -0.04 0.00 -0.73 0.00 0.00 57.03 55.85 1f62 h ASP 19 Cb 1.18 -0.18 0.01 0.00 -0.83 0.00 0.00 39.33 39.51 1f62 h ASP 19 CO 0.90 0.53 -0.37 -0.08 -1.03 0.00 0.00 179.24 179.19 1f62 h GLU 20 N 0.87 -1.00 -0.01 4.15 4.81 -1.92 -3.35 114.58 118.12 1f62 h GLU 20 Ca 0.23 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1f62 h GLU 20 Cb -0.10 0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1f62 h GLU 20 CO -0.05 -0.66 -0.37 0.00 -0.73 0.00 0.00 179.01 177.20 1f62 n ASN 22 N -0.27 -5.63 -4.31 0.00 5.15 0.11 -5.02 115.26 105.29 1f62 n ASN 22 Ca 0.06 -0.68 -0.28 0.00 -0.60 0.00 0.00 54.58 53.08 1f62 n ASN 22 Cb 0.32 -5.10 -0.14 0.00 -0.53 0.00 0.00 39.78 34.32 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 -4.56 1.63 -0.21 1.20 -0.14 -1.25 -4.91 119.74 111.50 1f62 s LYS 23 Ca 0.36 -1.05 -0.27 0.00 -1.36 0.00 0.00 55.97 53.65 1f62 s LYS 23 Cb -0.05 -1.79 -0.00 0.00 -1.68 0.00 0.00 37.83 34.31 1f62 s LYS 23 CO 0.72 0.46 0.92 0.00 -0.76 0.00 0.00 175.35 176.69 1f62 s ALA 24 N -0.81 3.60 0.20 5.17 0.00 -1.26 -1.19 121.76 127.47 1f62 s ALA 24 Ca 0.10 0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.15 1f62 s ALA 24 Cb -0.10 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.60 1f62 s ALA 24 CO 0.02 -0.86 -0.01 -0.06 0.00 0.00 0.00 175.76 174.85 1f62 s PHE 25 N 2.70 1.41 0.30 0.00 0.40 -1.07 -1.48 117.98 120.23 1f62 s PHE 25 Ca 0.40 -0.95 0.07 0.00 -0.60 0.00 0.00 56.93 55.85 1f62 s PHE 25 Cb -0.16 -0.80 -0.03 0.00 0.51 0.00 0.00 43.02 42.54 1f62 s PHE 25 CO 0.09 -0.10 0.28 -1.01 0.70 0.00 0.00 175.22 175.18 1f62 s HIS 26 N -3.51 3.02 0.24 0.36 3.76 -1.26 -1.30 115.29 116.59 1f62 s HIS 26 Ca 0.26 -0.22 -0.06 0.00 -0.15 0.00 0.00 55.06 54.89 1f62 s HIS 26 Cb 0.06 -1.68 0.28 0.00 1.11 0.00 0.00 32.58 32.35 1f62 s HIS 26 CO 0.07 0.29 1.88 -0.07 -0.85 0.00 0.00 174.74 176.05 1f62 h LEU 27 N 1.29 0.95 -0.59 0.89 3.38 -1.88 -1.87 115.31 117.47 1f62 h LEU 27 Ca -0.46 -0.00 0.12 0.00 0.09 0.00 0.00 57.88 57.62 1f62 h LEU 27 Cb 1.25 -0.21 -0.11 0.00 0.09 0.00 0.00 40.66 41.67 1f62 h LEU 27 CO 0.59 0.65 -0.21 -0.26 0.09 0.00 0.00 178.44 179.29 1f62 h PHE 28 N 1.11 -0.52 -0.15 1.13 0.04 -1.82 0.20 116.94 116.93 1f62 h PHE 28 Ca 0.36 0.06 -0.18 0.00 2.80 0.00 0.00 57.97 61.01 1f62 h PHE 28 Cb 0.03 0.32 -0.00 0.00 2.20 0.00 0.00 35.95 38.49 1f62 h PHE 28 CO -0.02 -0.31 -0.64 0.00 -0.60 0.00 0.00 178.31 176.75 1f62 n LEU 30 N -3.92 0.71 -3.48 0.00 4.77 -0.77 -4.92 117.00 109.41 1f62 n LEU 30 Ca -0.04 0.32 -0.28 0.00 -0.03 0.00 0.00 56.01 55.98 1f62 n LEU 30 Cb 0.65 -0.36 -0.11 0.00 -2.33 0.00 0.00 43.42 41.27 1f62 n LEU 30 CO 0.48 -0.36 -0.30 -0.13 -1.33 0.00 0.00 177.39 175.75 1f62 s ARG 31 N -0.73 0.88 0.53 3.23 0.52 0.68 -5.01 118.95 119.06 1f62 s ARG 31 Ca 0.00 -1.86 0.29 0.00 -0.52 0.00 0.00 55.73 53.64 1f62 s ARG 31 Cb 0.00 -1.56 1.49 0.00 0.52 0.00 0.00 34.95 35.39 1f62 s ARG 31 CO 0.00 -1.29 2.07 -1.00 0.02 0.00 0.00 175.30 175.10 1f62 h PRO 32 N 6.27 0.00 -0.95 3.54 0.13 -1.59 -0.80 132.00 138.60 1f62 h PRO 32 Ca 0.15 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.43 1f62 h PRO 32 Cb 0.93 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.98 1f62 h PRO 32 CO 0.36 0.11 0.60 0.00 -0.23 0.00 0.00 178.00 178.83 1f62 h ALA 33 N 1.89 1.74 -2.40 -0.56 0.00 -1.93 -3.39 119.26 114.62 1f62 h ALA 33 Ca -0.00 0.03 -0.54 0.00 0.00 0.00 0.00 54.91 54.40 1f62 h ALA 33 Cb 0.35 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1f62 h ALA 33 CO 0.01 -0.01 0.45 -0.51 0.00 0.00 0.00 179.25 179.20 1f62 s LEU 34 N -10.00 4.35 -0.02 0.00 2.01 -0.31 -4.91 118.68 109.80 1f62 s LEU 34 Ca -0.11 1.72 0.08 0.00 0.01 0.00 0.00 54.13 55.83 1f62 s LEU 34 Cb 0.23 -3.57 -0.13 0.00 0.01 0.00 0.00 46.19 42.73 1f62 s LEU 34 CO 0.80 -0.35 0.16 -1.22 1.01 0.00 0.00 176.35 176.75 1f62 n TYR 35 N 4.15 0.00 -3.92 0.29 4.01 -1.26 -4.62 117.16 115.80 1f62 n TYR 35 Ca 0.07 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.60 1f62 n TYR 35 Cb 0.50 -0.23 -0.02 0.00 -0.31 0.00 0.00 39.34 39.28 1f62 n TYR 35 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 1f62 s GLU 36 N -2.53 3.44 0.31 -0.72 1.03 -1.26 -4.95 118.70 114.03 1f62 s GLU 36 Ca -0.03 -0.72 -0.29 0.00 0.03 0.00 0.00 54.97 53.96 1f62 s GLU 36 Cb 0.05 -2.88 -0.10 0.00 -0.80 0.00 0.00 34.13 30.40 1f62 s GLU 36 CO 0.35 0.41 1.31 0.54 -1.33 0.00 0.00 175.26 176.55 1f62 s VAL 37 N -2.00 2.77 0.83 1.83 0.11 -1.26 -5.05 120.40 117.64 1f62 s VAL 37 Ca 0.34 0.75 -0.12 0.00 -2.93 0.00 0.00 61.98 60.03 1f62 s VAL 37 Cb -0.09 -3.48 0.09 0.00 -1.53 0.00 0.00 36.38 31.37 1f62 s VAL 37 CO 0.30 0.17 1.13 -2.16 -3.33 0.00 0.00 175.10 171.20 1f62 s PRO 38 N -1.51 1.84 -0.80 1.54 0.04 -1.26 -5.02 135.00 129.83 1f62 s PRO 38 Ca 0.50 0.39 0.02 0.00 0.04 0.00 0.00 61.00 61.95 1f62 s PRO 38 Cb -0.39 -1.91 0.31 0.00 0.04 0.00 0.00 34.50 32.54 1f62 s PRO 38 CO 0.50 -1.73 1.22 -3.47 0.04 0.00 0.00 177.00 173.56 1f62 n ASP 39 N -3.46 5.39 0.00 6.66 2.03 -1.26 -4.79 116.55 121.12 1f62 n ASP 39 Ca 0.07 -3.57 0.00 0.00 0.52 0.00 0.00 54.79 51.81 1f62 n ASP 39 Cb 0.58 -0.88 0.00 0.00 -0.72 0.00 0.00 41.12 40.11 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 0.39 -0.74 3.61 0.27 0.00 -1.26 -5.12 105.19 102.33 1f62 n GLY 40 Ca 0.34 0.38 -0.43 0.00 0.00 0.00 0.00 46.02 46.31 1f62 n GLY 40 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1f62 s GLU 41 N 0.00 3.86 -0.38 1.61 2.56 -1.26 -4.94 118.70 120.15 1f62 s GLU 41 Ca 0.00 0.63 0.12 0.00 0.00 0.00 0.00 54.97 55.72 1f62 s GLU 41 Cb 0.00 -3.80 0.36 0.00 2.00 0.00 0.00 34.13 32.68 1f62 s GLU 41 CO 0.00 -0.97 0.76 0.91 -0.56 0.00 0.00 175.26 175.40 1f62 n TRP 42 N 6.85 0.49 -4.18 5.30 8.01 -1.26 -4.79 117.44 127.86 1f62 n TRP 42 Ca 0.08 -3.77 -0.15 0.00 -1.31 0.00 0.00 57.50 52.35 1f62 n TRP 42 Cb 0.48 -0.42 -0.11 0.00 -2.01 0.00 0.00 31.31 29.25 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 -2.54 0.87 0.18 -0.99 -0.21 -1.26 -1.13 119.66 114.58 1f62 s GLN 43 Ca 0.40 -1.17 0.07 0.00 0.02 0.00 0.00 55.36 54.68 1f62 s GLN 43 Cb 0.35 -0.57 -0.04 0.00 1.00 0.00 0.00 33.01 33.75 1f62 s GLN 43 CO -0.08 0.09 0.03 0.00 -2.12 0.00 0.00 175.29 173.21 1f62 n PRO 45 N -0.22 -0.07 -0.12 0.00 -0.02 -1.08 -0.80 135.00 132.68 1f62 n PRO 45 Ca -0.09 1.34 -0.13 0.00 -2.02 0.00 0.00 63.50 62.60 1f62 n PRO 45 Cb 0.55 -2.22 -0.02 0.00 -0.02 0.00 0.00 33.50 31.80 1f62 n PRO 45 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1f62 h ALA 46 N 1.84 0.58 -0.07 3.55 0.00 -2.02 -2.79 119.26 120.35 1f62 h ALA 46 Ca 0.63 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1f62 h ALA 46 Cb 1.45 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1f62 h ALA 46 CO -0.81 0.68 -0.04 0.00 0.00 0.00 0.00 179.25 179.08 1f62 s GLN 48 N -4.51 0.57 -1.33 0.00 0.74 -0.05 -4.98 119.66 110.10 1f62 s GLN 48 Ca -0.15 0.86 -0.16 0.00 0.05 0.00 0.00 55.36 55.96 1f62 s GLN 48 Cb 0.04 0.17 0.02 0.00 1.10 0.00 0.00 33.01 34.34 1f62 s GLN 48 CO 0.70 -0.10 2.05 -0.35 -0.55 0.00 0.00 175.29 177.05 1f62 n PRO 49 N 3.45 2.74 -1.30 1.67 -0.04 -1.20 -2.64 135.00 137.69 1f62 n PRO 49 Ca -0.17 -2.69 -0.31 0.00 -0.04 0.00 0.00 63.50 60.28 1f62 n PRO 49 Cb 0.57 -3.32 0.09 0.00 -0.04 0.00 0.00 33.50 30.80 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 4.03 2.23 0.00 0.55 0.00 -1.26 -5.04 121.76 122.27 1f62 s ALA 50 Ca 0.51 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.81 1f62 s ALA 50 Cb 0.11 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.93 1f62 s ALA 50 CO -0.01 -1.76 0.37 2.41 0.00 0.00 0.00 175.76 176.77