#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 0.78 -0.06 0.00 6.06 -1.26 -4.67 118.95 119.80 1f62 s ARG 2 Ca 0.00 -0.60 -0.15 0.00 -2.50 0.00 0.00 55.73 52.49 1f62 s ARG 2 Cb 0.00 0.33 0.03 0.00 0.06 0.00 0.00 34.95 35.37 1f62 s ARG 2 CO 0.00 -0.24 0.34 0.00 -2.50 0.00 0.00 175.30 172.90 1f62 h LYS 4 N 4.44 0.02 0.00 0.00 1.63 -1.67 -2.83 116.57 118.16 1f62 h LYS 4 Ca -0.28 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.51 1f62 h LYS 4 Cb 1.18 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 1f62 h LYS 4 CO 0.36 0.32 0.00 0.28 -3.45 0.00 0.00 179.45 176.95 1f62 n VAL 5 N -4.93 0.00 0.02 2.00 0.31 -1.26 -4.29 118.33 110.18 1f62 n VAL 5 Ca -0.08 0.95 -0.18 0.00 -0.01 0.00 0.00 64.34 65.02 1f62 n VAL 5 Cb 0.17 -1.79 -0.12 0.00 -0.91 0.00 0.00 33.84 31.18 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 -4.17 -5.43 -4.05 0.00 0.63 -1.07 -5.03 116.66 97.55 1f62 n ARG 7 Ca -0.11 0.71 -0.07 0.00 -0.92 0.00 0.00 57.85 57.46 1f62 n ARG 7 Cb 0.73 -5.45 -0.10 0.00 0.45 0.00 0.00 32.46 28.10 1f62 n ARG 7 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1f62 s LYS 8 N -5.69 0.63 0.10 -0.14 1.02 -1.26 -4.92 119.74 109.48 1f62 s LYS 8 Ca 0.02 -1.14 -0.24 0.00 0.02 0.00 0.00 55.97 54.63 1f62 s LYS 8 Cb -0.00 0.23 -0.07 0.00 -0.52 0.00 0.00 37.83 37.46 1f62 s LYS 8 CO 0.78 -0.13 0.74 0.21 -0.92 0.00 0.00 175.35 176.03 1f62 s LYS 9 N -3.77 4.49 0.00 1.68 2.20 -1.26 -4.74 119.74 118.33 1f62 s LYS 9 Ca 0.05 1.05 0.00 0.00 -0.36 0.00 0.00 55.97 56.72 1f62 s LYS 9 Cb 0.07 -3.30 0.00 0.00 -1.51 0.00 0.00 37.83 33.08 1f62 s LYS 9 CO -0.10 0.46 0.00 0.41 -0.36 0.00 0.00 175.35 175.76 1f62 n GLY 10 N 1.95 -1.97 2.65 5.54 0.00 -1.26 -5.02 105.19 107.08 1f62 n GLY 10 Ca -0.05 0.63 -0.35 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.72 2.60 -1.67 1.61 0.00 -1.26 -4.86 120.64 116.34 1f62 n GLU 11 Ca 0.00 -3.10 -0.37 0.00 0.00 0.00 0.00 57.16 53.69 1f62 n GLU 11 Cb 0.00 -2.20 -0.03 0.00 0.00 0.00 0.00 31.44 29.21 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 -0.26 8.05 0.13 -1.84 9.92 -1.26 -4.53 116.55 126.76 1f62 n ASP 12 Ca 0.53 -2.92 -0.06 0.00 -0.53 0.00 0.00 54.79 51.82 1f62 n ASP 12 Cb 0.40 -1.42 -0.03 0.00 -0.64 0.00 0.00 41.12 39.43 1f62 n ASP 12 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1f62 h ASP 13 N 4.54 -0.32 -1.09 -2.24 3.58 -2.03 -3.45 116.42 115.40 1f62 h ASP 13 Ca 0.72 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 58.16 1f62 h ASP 13 Cb 0.39 0.08 -0.22 0.00 1.72 0.00 0.00 39.33 41.31 1f62 h ASP 13 CO 1.48 0.02 -0.41 -0.75 -2.88 0.00 0.00 179.24 176.69 1f62 s LYS 14 N -2.83 0.60 0.44 0.28 2.20 -1.26 -5.10 119.74 114.06 1f62 s LYS 14 Ca -0.06 0.33 -0.24 0.00 -0.36 0.00 0.00 55.97 55.64 1f62 s LYS 14 Cb 0.01 0.15 -0.08 0.00 -1.51 0.00 0.00 37.83 36.40 1f62 s LYS 14 CO 0.17 -1.08 1.18 -0.51 -0.36 0.00 0.00 175.35 174.75 1f62 s LEU 15 N 2.59 4.07 -1.10 5.43 1.02 -1.26 -4.87 118.68 124.57 1f62 s LEU 15 Ca 0.11 2.35 -0.06 0.00 0.02 0.00 0.00 54.13 56.55 1f62 s LEU 15 Cb -0.09 -4.16 0.30 0.00 0.02 0.00 0.00 46.19 42.26 1f62 s LEU 15 CO -0.22 -0.86 1.31 0.00 0.02 0.00 0.00 176.35 176.59 1f62 n ILE 16 N -0.30 4.97 -2.22 -0.59 3.06 -0.06 -4.93 119.36 119.29 1f62 n ILE 16 Ca 0.06 -5.68 -0.41 0.00 -2.50 0.00 0.00 62.75 54.23 1f62 n ILE 16 Cb 0.47 -2.32 -0.03 0.00 0.54 0.00 0.00 39.64 38.30 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 -2.09 4.44 0.27 9.51 1.02 -1.26 -3.95 118.68 126.63 1f62 s LEU 17 Ca 0.31 2.48 -0.29 0.00 0.02 0.00 0.00 54.13 56.65 1f62 s LEU 17 Cb -0.02 -3.63 -0.10 0.00 0.02 0.00 0.00 46.19 42.47 1f62 s LEU 17 CO 0.02 -0.47 1.26 0.00 0.02 0.00 0.00 176.35 177.18 1f62 h ASP 19 N 4.22 0.14 0.11 0.00 3.04 -1.60 -1.02 116.42 121.31 1f62 h ASP 19 Ca -0.47 0.01 -0.01 0.00 -3.24 0.00 0.00 57.03 53.32 1f62 h ASP 19 Cb 1.22 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 39.49 1f62 h ASP 19 CO 0.70 0.11 -0.05 -0.08 -2.04 0.00 0.00 179.24 177.88 1f62 h GLU 20 N 0.20 -0.14 0.00 4.15 4.81 -1.92 -3.40 114.58 118.28 1f62 h GLU 20 Ca 0.07 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1f62 h GLU 20 Cb 0.01 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1f62 h GLU 20 CO -0.05 0.32 0.00 0.00 -0.73 0.00 0.00 179.01 178.55 1f62 n ASN 22 N -0.13 -5.63 -4.75 0.00 2.85 -0.39 -4.94 115.26 102.28 1f62 n ASN 22 Ca 0.00 -0.08 -0.41 0.00 -0.11 0.00 0.00 54.58 53.98 1f62 n ASN 22 Cb 0.07 -4.65 -0.04 0.00 1.24 0.00 0.00 39.78 36.40 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 -5.27 4.61 -0.04 1.20 1.02 -1.26 -4.62 119.74 115.38 1f62 s LYS 23 Ca 0.10 1.81 -0.19 0.00 0.02 0.00 0.00 55.97 57.71 1f62 s LYS 23 Cb -0.05 -3.21 -0.05 0.00 -0.52 0.00 0.00 37.83 34.01 1f62 s LYS 23 CO 0.13 0.14 0.54 0.00 -0.92 0.00 0.00 175.35 175.24 1f62 s ALA 24 N -0.87 3.50 -0.02 5.17 0.00 -1.26 -1.42 121.76 126.86 1f62 s ALA 24 Ca 0.46 -0.06 -0.24 0.00 0.00 0.00 0.00 51.96 52.13 1f62 s ALA 24 Cb -0.32 -2.68 0.05 0.00 0.00 0.00 0.00 23.12 20.17 1f62 s ALA 24 CO 0.40 0.14 0.51 -0.06 0.00 0.00 0.00 175.76 176.75 1f62 s PHE 25 N -0.01 -0.44 0.62 0.00 0.08 -1.25 -1.52 117.98 115.45 1f62 s PHE 25 Ca 0.29 0.69 0.01 0.00 0.12 0.00 0.00 56.93 58.04 1f62 s PHE 25 Cb -0.17 0.28 0.07 0.00 -0.57 0.00 0.00 43.02 42.63 1f62 s PHE 25 CO 0.15 -0.53 0.86 -1.01 -0.10 0.00 0.00 175.22 174.58 1f62 s HIS 26 N -1.45 2.29 0.12 0.36 3.76 -1.26 -0.88 115.29 118.23 1f62 s HIS 26 Ca -0.11 -0.15 -0.30 0.00 -0.15 0.00 0.00 55.06 54.35 1f62 s HIS 26 Cb -0.02 -2.81 -0.08 0.00 1.11 0.00 0.00 32.58 30.77 1f62 s HIS 26 CO 0.06 -1.21 1.59 -0.07 -0.85 0.00 0.00 174.74 174.25 1f62 h LEU 27 N -0.15 -1.27 -0.30 0.89 4.07 -1.88 -1.72 115.31 114.96 1f62 h LEU 27 Ca -0.39 0.15 -0.09 0.00 0.08 0.00 0.00 57.88 57.63 1f62 h LEU 27 Cb 1.29 0.49 -0.01 0.00 1.08 0.00 0.00 40.66 43.51 1f62 h LEU 27 CO 0.47 -0.46 -0.16 -0.26 -1.08 0.00 0.00 178.44 176.95 1f62 h PHE 28 N -0.58 0.73 -0.58 1.13 0.04 -1.76 -3.23 116.94 112.70 1f62 h PHE 28 Ca 0.05 -0.19 -0.04 0.00 2.80 0.00 0.00 57.97 60.59 1f62 h PHE 28 Cb 0.65 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.61 1f62 h PHE 28 CO -0.42 0.87 0.21 0.00 -0.60 0.00 0.00 178.31 178.37 1f62 h LEU 30 N 0.84 -0.67 -7.09 0.00 6.46 -1.40 -3.47 115.31 109.98 1f62 h LEU 30 Ca 0.20 0.02 -0.05 0.00 -0.12 0.00 0.00 57.88 57.93 1f62 h LEU 30 Cb 0.20 0.17 -0.22 0.00 -0.73 0.00 0.00 40.66 40.09 1f62 h LEU 30 CO -0.01 -0.47 -0.02 0.00 -0.62 0.00 0.00 178.44 177.31 1f62 s ARG 31 N -4.68 0.68 0.43 1.25 1.70 -0.95 -4.42 118.95 112.97 1f62 s ARG 31 Ca -0.12 0.95 0.10 0.00 -0.47 0.00 0.00 55.73 56.20 1f62 s ARG 31 Cb 0.01 0.25 0.94 0.00 -0.57 0.00 0.00 34.95 35.59 1f62 s ARG 31 CO 0.35 -0.11 2.03 -1.00 -1.08 0.00 0.00 175.30 175.48 1f62 h PRO 32 N 5.88 0.27 -1.02 3.89 0.13 -1.67 -1.54 132.00 137.95 1f62 h PRO 32 Ca -0.30 -0.03 0.34 0.00 -0.87 0.00 0.00 66.00 65.14 1f62 h PRO 32 Cb 1.19 -0.05 -0.15 0.00 0.13 0.00 0.00 31.00 32.11 1f62 h PRO 32 CO 0.15 0.27 0.58 0.00 -0.23 0.00 0.00 178.00 178.77 1f62 h ALA 33 N 1.77 2.04 -1.34 -0.56 0.00 -1.89 -3.08 119.26 116.20 1f62 h ALA 33 Ca 0.07 0.20 -0.61 0.00 0.00 0.00 0.00 54.91 54.56 1f62 h ALA 33 Cb 0.13 0.18 -0.12 0.00 0.00 0.00 0.00 17.79 17.98 1f62 h ALA 33 CO -0.00 -0.68 1.25 -0.51 0.00 0.00 0.00 179.25 179.31 1f62 s LEU 34 N -10.37 3.83 0.38 0.00 1.43 -0.58 -4.77 118.68 108.61 1f62 s LEU 34 Ca -0.10 -1.43 0.23 0.00 -1.03 0.00 0.00 54.13 51.81 1f62 s LEU 34 Cb 0.31 -2.52 0.37 0.00 0.03 0.00 0.00 46.19 44.37 1f62 s LEU 34 CO 0.79 -1.45 1.57 1.88 0.23 0.00 0.00 176.35 179.37 1f62 h TYR 35 N 9.61 0.00 -3.00 0.29 0.05 -1.80 -3.26 116.97 118.87 1f62 h TYR 35 Ca 0.11 0.00 -0.42 0.00 0.05 0.00 0.00 58.73 58.46 1f62 h TYR 35 Cb 1.02 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 38.62 1f62 h TYR 35 CO 1.22 0.00 -0.71 -1.83 -1.05 0.00 0.00 178.16 175.79 1f62 s GLU 36 N -3.21 1.30 0.45 4.88 1.03 -1.26 -4.91 118.70 116.98 1f62 s GLU 36 Ca 0.07 -1.60 -0.22 0.00 0.03 0.00 0.00 54.97 53.25 1f62 s GLU 36 Cb 0.06 -0.96 -0.09 0.00 -0.80 0.00 0.00 34.13 32.35 1f62 s GLU 36 CO 0.67 0.11 1.04 0.14 -1.33 0.00 0.00 175.26 175.89 1f62 s VAL 37 N -3.10 3.79 0.00 1.83 -7.23 -1.26 -4.99 120.40 109.44 1f62 s VAL 37 Ca 0.23 1.20 0.00 0.00 -1.81 0.00 0.00 61.98 61.60 1f62 s VAL 37 Cb 0.01 -3.53 0.00 0.00 0.56 0.00 0.00 36.38 33.42 1f62 s VAL 37 CO 0.06 -0.16 0.00 -0.81 -0.31 0.00 0.00 175.10 173.88 1f62 n PRO 38 N -0.65 1.46 -1.44 4.82 -0.04 -1.26 -5.00 135.00 132.89 1f62 n PRO 38 Ca 0.08 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.26 1f62 n PRO 38 Cb 0.52 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.90 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 -2.29 6.78 0.00 3.54 2.03 -1.26 -4.90 116.55 120.45 1f62 n ASP 39 Ca 0.00 -2.91 0.00 0.00 0.52 0.00 0.00 54.79 52.40 1f62 n ASP 39 Cb 0.00 -1.35 0.00 0.00 -0.72 0.00 0.00 41.12 39.05 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 1.84 1.99 3.64 0.27 0.00 -1.26 -4.90 105.19 106.78 1f62 n GLY 40 Ca 0.54 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 46.12 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 3.89 -0.05 1.61 0.41 -1.26 -4.37 118.70 118.93 1f62 s GLU 41 Ca 0.00 1.85 -0.30 0.00 -0.41 0.00 0.00 54.97 56.12 1f62 s GLU 41 Cb 0.00 -4.04 0.09 0.00 -1.78 0.00 0.00 34.13 28.40 1f62 s GLU 41 CO 0.00 -1.19 0.76 -0.46 -0.49 0.00 0.00 175.26 173.88 1f62 s TRP 42 N 4.98 -0.55 0.03 1.61 -0.00 -1.26 -4.87 118.94 118.89 1f62 s TRP 42 Ca 0.74 0.84 -0.25 0.00 -0.00 0.00 0.00 56.10 57.43 1f62 s TRP 42 Cb -0.28 0.45 -0.05 0.00 -0.00 0.00 0.00 33.47 33.59 1f62 s TRP 42 CO 0.30 -0.57 0.76 -0.65 -0.00 0.00 0.00 176.95 176.78 1f62 s GLN 43 N -1.64 4.48 0.78 5.86 -0.21 -1.26 -1.62 119.66 126.05 1f62 s GLN 43 Ca -0.06 1.04 -0.03 0.00 0.02 0.00 0.00 55.36 56.33 1f62 s GLN 43 Cb -0.00 -3.37 0.16 0.00 1.00 0.00 0.00 33.01 30.79 1f62 s GLN 43 CO 0.04 0.26 1.07 0.00 -2.12 0.00 0.00 175.29 174.54 1f62 h PRO 45 N -0.77 0.00 -0.23 0.00 0.11 -1.77 -0.28 132.00 129.04 1f62 h PRO 45 Ca -0.36 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.70 1f62 h PRO 45 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1f62 h PRO 45 CO 0.37 0.00 -0.07 0.00 -0.21 0.00 0.00 178.00 178.09 1f62 h ALA 46 N 1.97 0.32 -0.02 -0.75 0.00 -1.94 -3.10 119.26 115.74 1f62 h ALA 46 Ca 0.02 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 1f62 h ALA 46 Cb 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1f62 h ALA 46 CO -0.00 0.13 -0.16 0.00 0.00 0.00 0.00 179.25 179.22 1f62 s GLN 48 N -3.47 2.38 -0.91 0.00 -0.21 -0.20 -4.98 119.66 112.28 1f62 s GLN 48 Ca -0.16 -1.63 -0.25 0.00 0.02 0.00 0.00 55.36 53.34 1f62 s GLN 48 Cb 0.01 -3.72 -0.19 0.00 1.00 0.00 0.00 33.01 30.12 1f62 s GLN 48 CO 0.73 -1.03 2.21 -2.30 -2.12 0.00 0.00 175.29 172.78 1f62 n PRO 49 N 4.80 0.29 -3.55 2.91 -0.02 -1.17 -4.11 135.00 134.15 1f62 n PRO 49 Ca -0.07 -1.19 -0.07 0.00 -2.02 0.00 0.00 63.50 60.15 1f62 n PRO 49 Cb 0.42 -3.61 -0.02 0.00 -0.02 0.00 0.00 33.50 30.27 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 14.96 -1.94 -1.85 3.55 0.00 -1.26 -5.13 121.76 130.10 1f62 s ALA 50 Ca 0.85 1.29 0.15 0.00 0.00 0.00 0.00 51.96 54.25 1f62 s ALA 50 Cb -0.12 0.15 0.12 0.00 0.00 0.00 0.00 23.12 23.27 1f62 s ALA 50 CO 0.15 -0.64 0.97 -2.37 0.00 0.00 0.00 175.76 173.87