#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag1 s THR 2 N 0.00 2.60 0.07 9.51 -4.23 -1.26 -5.15 115.64 117.18 3ag1 s THR 2 Ca 0.00 -2.17 -0.09 0.00 -1.18 0.00 0.00 61.69 58.26 3ag1 s THR 2 Cb 0.00 -2.32 -0.00 0.00 1.34 0.00 0.00 72.50 71.51 3ag1 s THR 2 CO 0.00 -0.28 0.18 0.00 -0.54 0.00 0.00 174.62 173.98 3ag1 s ALA 3 N -2.14 -0.24 0.70 3.99 0.00 -1.26 -5.15 121.76 117.66 3ag1 s ALA 3 Ca 0.27 -0.53 -0.13 0.00 0.00 0.00 0.00 51.96 51.57 3ag1 s ALA 3 Cb -0.06 0.40 0.02 0.00 0.00 0.00 0.00 23.12 23.47 3ag1 s ALA 3 CO 0.14 -0.45 1.09 0.15 0.00 0.00 0.00 175.76 176.69 3ag1 s LYS 4 N -3.39 2.67 0.65 0.00 1.02 -1.26 -5.02 119.74 114.41 3ag1 s LYS 4 Ca 0.01 1.25 -0.17 0.00 0.02 0.00 0.00 55.97 57.08 3ag1 s LYS 4 Cb 0.03 -1.94 -0.03 0.00 -0.52 0.00 0.00 37.83 35.36 3ag1 s LYS 4 CO -0.08 -1.33 0.91 -2.30 -0.92 0.00 0.00 175.35 171.62 3ag1 n PRO 5 N -2.84 0.71 -1.60 -1.68 -0.02 -1.26 -4.90 135.00 123.41 3ag1 n PRO 5 Ca 0.09 0.29 -0.51 0.00 -2.02 0.00 0.00 63.50 61.35 3ag1 n PRO 5 Cb 0.53 -2.13 -0.06 0.00 -0.02 0.00 0.00 33.50 31.82 3ag1 n PRO 5 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ag1 n ALA 6 N -2.02 -0.66 0.06 3.55 0.00 -1.26 -4.89 120.51 115.29 3ag1 n ALA 6 Ca 0.13 0.51 -0.12 0.00 0.00 0.00 0.00 53.44 53.96 3ag1 n ALA 6 Cb 0.48 -2.11 -0.01 0.00 0.00 0.00 0.00 19.45 17.81 3ag1 n ALA 6 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3ag1 h LYS 7 N 4.66 0.39 -2.60 0.00 1.57 -2.05 -3.37 116.57 115.17 3ag1 h LYS 7 Ca -0.47 -0.38 -0.60 0.00 -1.87 0.00 0.00 60.65 57.33 3ag1 h LYS 7 Cb 1.33 0.10 -0.41 0.00 0.08 0.00 0.00 32.23 33.32 3ag1 h LYS 7 CO 0.79 1.04 -0.72 0.25 -0.57 0.00 0.00 179.45 180.24 3ag1 n THR 8 N -3.78 0.99 -1.54 -0.16 -2.24 -1.26 -5.12 114.28 101.17 3ag1 n THR 8 Ca -0.05 -4.57 -0.42 0.00 -2.27 0.00 0.00 64.05 56.73 3ag1 n THR 8 Cb 0.78 -2.03 0.00 0.00 -2.10 0.00 0.00 70.33 66.98 3ag1 n THR 8 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3ag1 n PRO 9 N 1.79 1.00 -3.79 -0.78 -0.02 -1.26 -4.93 135.00 127.01 3ag1 n PRO 9 Ca 0.25 0.36 -0.37 0.00 -2.02 0.00 0.00 63.50 61.72 3ag1 n PRO 9 Cb 0.41 -1.77 -0.13 0.00 -0.02 0.00 0.00 33.50 31.99 3ag1 n PRO 9 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3ag1 s THR 10 N -1.30 3.62 0.86 3.45 2.01 -1.26 -5.10 115.64 117.93 3ag1 s THR 10 Ca 0.63 -1.08 -0.12 0.00 0.31 0.00 0.00 61.69 61.42 3ag1 s THR 10 Cb -0.61 -3.01 0.11 0.00 0.01 0.00 0.00 72.50 69.00 3ag1 s THR 10 CO 0.58 -0.09 1.13 -0.94 -0.69 0.00 0.00 174.62 174.60 3ag1 s SER 11 N 1.39 4.00 0.27 3.53 1.04 -1.26 -4.70 113.70 117.97 3ag1 s SER 11 Ca -0.01 1.02 0.00 0.00 0.48 0.00 0.00 55.95 57.44 3ag1 s SER 11 Cb -0.19 -1.63 0.61 0.00 0.10 0.00 0.00 66.02 64.91 3ag1 s SER 11 CO 0.02 -2.25 1.72 -0.65 0.98 0.00 0.00 173.24 173.05 3ag1 h PRO 12 N -1.29 0.44 -0.34 4.02 0.11 -1.99 0.10 132.00 133.06 3ag1 h PRO 12 Ca -0.49 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 3ag1 h PRO 12 Cb 1.31 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3ag1 h PRO 12 CO 0.62 0.29 0.03 -0.22 -0.21 0.00 0.00 178.00 178.51 3ag1 h LYS 13 N 0.45 0.58 -0.43 1.05 3.11 -2.00 -0.56 116.57 118.78 3ag1 h LYS 13 Ca 0.50 -0.17 -0.09 0.00 -2.81 0.00 0.00 60.65 58.08 3ag1 h LYS 13 Cb 0.85 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 32.00 3ag1 h LYS 13 CO -0.46 0.68 -0.08 0.93 -2.81 0.00 0.00 179.45 177.70 3ag1 h GLU 14 N 0.40 0.74 -0.85 1.90 5.08 -1.41 -2.35 114.58 118.09 3ag1 h GLU 14 Ca 0.10 -0.23 0.02 0.00 -1.00 0.00 0.00 59.36 58.25 3ag1 h GLU 14 Cb 0.41 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 3ag1 h GLU 14 CO 0.01 0.81 0.56 1.96 -1.00 0.00 0.00 179.01 181.35 3ag1 h GLN 15 N 0.68 1.09 -0.73 2.33 4.20 -0.78 -0.92 115.11 120.97 3ag1 h GLN 15 Ca 0.12 -0.07 0.06 0.00 0.06 0.00 0.00 58.65 58.82 3ag1 h GLN 15 Cb 0.54 -0.25 -0.06 0.00 0.30 0.00 0.00 27.48 28.02 3ag1 h GLN 15 CO 0.03 0.72 0.43 0.00 -0.67 0.00 0.00 178.83 179.35 3ag1 h ALA 16 N 1.33 0.99 -0.05 3.87 0.00 -0.60 0.33 119.26 125.12 3ag1 h ALA 16 Ca 0.32 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 3ag1 h ALA 16 Cb -0.08 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3ag1 h ALA 16 CO -0.09 0.14 -0.19 0.82 0.00 0.00 0.00 179.25 179.93 3ag1 h ILE 17 N 0.80 1.45 -0.73 0.00 2.04 -1.08 -1.44 117.51 118.54 3ag1 h ILE 17 Ca 0.32 -1.60 -0.03 0.00 1.00 0.00 0.00 64.86 64.55 3ag1 h ILE 17 Cb 0.17 2.35 -0.03 0.00 -0.74 0.00 0.00 36.82 38.57 3ag1 h ILE 17 CO -0.17 0.45 0.35 1.23 0.00 0.00 0.00 178.15 180.01 3ag1 h GLY 18 N -0.31 1.12 0.83 5.37 0.00 -0.73 -0.16 103.07 109.20 3ag1 h GLY 18 Ca -0.01 -0.56 0.03 0.00 0.00 0.00 0.00 47.33 46.79 3ag1 h GLY 18 CO 0.04 0.53 0.33 -2.00 0.00 0.00 0.00 176.54 175.44 3ag1 h LEU 19 N 1.02 0.52 -0.25 3.11 5.85 -0.30 -1.99 115.31 123.27 3ag1 h LEU 19 Ca 0.25 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.94 3ag1 h LEU 19 Cb 0.12 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3ag1 h LEU 19 CO -0.03 0.36 0.01 0.28 -0.34 0.00 0.00 178.44 178.72 3ag1 h SER 20 N 0.64 0.42 0.03 1.25 0.02 -0.90 -0.48 113.55 114.54 3ag1 h SER 20 Ca 0.23 -0.30 -0.14 0.00 -0.84 0.00 0.00 61.79 60.74 3ag1 h SER 20 Cb 0.05 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 3ag1 h SER 20 CO -0.11 0.62 -0.47 0.58 -1.14 0.00 0.00 176.83 176.30 3ag1 h VAL 21 N 0.21 1.31 0.25 2.27 2.07 -0.96 -1.31 116.25 120.09 3ag1 h VAL 21 Ca 0.07 -1.68 -0.01 0.00 0.82 0.00 0.00 66.70 65.90 3ag1 h VAL 21 Cb 0.40 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 3ag1 h VAL 21 CO 0.01 0.52 -0.12 0.74 0.02 0.00 0.00 177.57 178.74 3ag1 h THR 22 N 0.41 0.75 -0.82 2.57 2.02 -1.07 -1.40 112.91 115.38 3ag1 h THR 22 Ca 0.02 -0.02 0.07 0.00 0.77 0.00 0.00 66.41 67.26 3ag1 h THR 22 Cb 0.98 0.76 -0.06 0.00 -1.74 0.00 0.00 68.15 68.09 3ag1 h THR 22 CO 0.09 0.00 0.49 -0.26 0.37 0.00 0.00 175.52 176.21 3ag1 h PHE 23 N -0.35 0.90 0.00 3.16 0.05 -0.94 -2.61 116.94 117.15 3ag1 h PHE 23 Ca -0.03 0.03 -0.11 0.00 3.82 0.00 0.00 57.97 61.68 3ag1 h PHE 23 Cb 0.27 -0.28 -0.02 0.00 2.00 0.00 0.00 35.95 37.92 3ag1 h PHE 23 CO -0.06 0.43 -0.50 -0.07 -0.18 0.00 0.00 178.31 177.93 3ag1 h LEU 24 N 0.87 0.00 -1.53 1.54 3.38 -1.01 -1.23 115.31 117.32 3ag1 h LEU 24 Ca 0.37 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.29 3ag1 h LEU 24 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3ag1 h LEU 24 CO -0.19 0.50 -0.22 0.77 0.09 0.00 0.00 178.44 179.39 3ag1 h SER 25 N 0.00 0.00 0.16 -0.43 4.64 -0.87 -1.33 113.55 115.73 3ag1 h SER 25 Ca -0.01 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.98 3ag1 h SER 25 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 3ag1 h SER 25 CO 0.07 0.22 -1.71 -0.26 -0.87 0.00 0.00 176.83 174.28 3ag1 h PHE 26 N 0.00 0.60 0.21 4.77 -1.00 -1.36 -3.42 116.94 116.74 3ag1 h PHE 26 Ca -0.00 -0.44 -0.32 0.00 2.81 0.00 0.00 57.97 60.02 3ag1 h PHE 26 Cb 0.53 -0.02 0.03 0.00 3.61 0.00 0.00 35.95 40.09 3ag1 h PHE 26 CO 0.00 1.67 -1.46 -0.07 -1.61 0.00 0.00 178.31 176.84 3ag1 h LEU 27 N -0.02 0.70 -0.19 1.54 3.38 -1.13 -3.36 115.31 116.22 3ag1 h LEU 27 Ca -0.35 -0.78 -0.03 0.00 0.09 0.00 0.00 57.88 56.81 3ag1 h LEU 27 Cb 1.99 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.51 3ag1 h LEU 27 CO 0.13 1.62 0.01 -0.07 0.09 0.00 0.00 178.44 180.22 3ag1 h LEU 28 N 0.12 0.32 -0.30 1.67 3.38 -1.48 -0.92 115.31 118.11 3ag1 h LEU 28 Ca -0.24 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.37 3ag1 h LEU 28 Cb 2.11 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.76 3ag1 h LEU 28 CO 0.24 0.54 -0.09 -0.65 0.09 0.00 0.00 178.44 178.58 3ag1 h PRO 29 N 0.10 0.58 -0.29 1.13 0.11 -1.80 -0.48 132.00 131.35 3ag1 h PRO 29 Ca 0.06 -0.23 0.00 0.00 0.11 0.00 0.00 66.00 65.94 3ag1 h PRO 29 Cb 0.37 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 3ag1 h PRO 29 CO 0.01 0.78 0.18 0.00 -0.21 0.00 0.00 178.00 178.77 3ag1 h ALA 30 N 0.78 0.36 -0.79 -0.75 0.00 -1.71 -2.11 119.26 115.05 3ag1 h ALA 30 Ca 0.07 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.02 3ag1 h ALA 30 Cb 0.58 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 3ag1 h ALA 30 CO 0.03 -0.16 0.46 0.78 0.00 0.00 0.00 179.25 180.37 3ag1 h GLY 31 N 0.38 1.19 0.90 0.00 0.00 -1.07 0.14 103.07 104.62 3ag1 h GLY 31 Ca 0.10 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 3ag1 h GLY 31 CO -0.02 0.19 0.01 -0.25 0.00 0.00 0.00 176.54 176.46 3ag1 h TRP 32 N 0.83 0.02 -0.00 5.60 7.01 -0.77 0.16 115.95 128.79 3ag1 h TRP 32 Ca 0.36 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.36 3ag1 h TRP 32 Cb 0.24 -0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 27.29 3ag1 h TRP 32 CO -0.06 0.11 0.00 0.28 -2.79 0.00 0.00 178.44 175.99 3ag1 h VAL 33 N -0.08 1.05 -0.71 2.65 2.07 -1.06 -2.56 116.25 117.61 3ag1 h VAL 33 Ca 0.00 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 3ag1 h VAL 33 Cb 0.10 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 3ag1 h VAL 33 CO -0.00 0.04 0.39 -0.07 0.02 0.00 0.00 177.57 177.95 3ag1 h LEU 34 N -0.07 0.90 -0.91 2.57 4.07 -0.90 -1.72 115.31 119.25 3ag1 h LEU 34 Ca 0.00 -0.10 0.09 0.00 0.08 0.00 0.00 57.88 57.95 3ag1 h LEU 34 Cb 0.07 -0.23 -0.07 0.00 1.08 0.00 0.00 40.66 41.51 3ag1 h LEU 34 CO -0.00 0.74 0.56 0.22 -1.08 0.00 0.00 178.44 178.87 3ag1 h TYR 35 N 0.98 1.02 -0.30 1.13 3.20 -0.52 -2.68 116.97 119.79 3ag1 h TYR 35 Ca 0.25 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.15 3ag1 h TYR 35 Cb 0.04 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 37.99 3ag1 h TYR 35 CO -0.00 0.45 0.00 0.72 -1.64 0.00 0.00 178.16 177.69 3ag1 n HIS 36 N -4.65 0.40 -0.31 -3.82 8.25 -0.92 -4.47 115.22 109.69 3ag1 n HIS 36 Ca 0.15 -0.20 0.14 0.00 -0.26 0.00 0.00 57.72 57.56 3ag1 n HIS 36 Cb 0.27 0.00 0.38 0.00 1.12 0.00 0.00 29.99 31.76 3ag1 n HIS 36 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3ag1 h LEU 37 N 2.57 0.67 -0.53 2.41 3.38 -0.97 -2.48 115.31 120.36 3ag1 h LEU 37 Ca 0.00 0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 3ag1 h LEU 37 Cb 0.58 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3ag1 h LEU 37 CO 0.00 0.27 -0.06 -0.78 0.09 0.00 0.00 178.44 177.96 3ag1 h ASP 38 N 0.67 0.97 -0.05 -0.43 3.58 -1.82 -1.95 116.42 117.39 3ag1 h ASP 38 Ca 0.52 -0.33 0.02 0.00 0.42 0.00 0.00 57.03 57.65 3ag1 h ASP 38 Cb 0.92 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.71 3ag1 h ASP 38 CO -0.28 1.08 0.16 0.78 -2.88 0.00 0.00 179.24 178.09 3ag1 h ASN 39 N 0.85 0.00 0.41 2.28 2.35 -1.75 -2.62 115.58 117.10 3ag1 h ASN 39 Ca 0.14 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.58 3ag1 h ASN 39 Cb 0.61 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.95 3ag1 h ASN 39 CO 0.04 0.00 -1.73 1.88 -1.65 0.00 0.00 177.43 175.96 3ag1 h TYR 40 N 0.00 0.18 0.00 1.19 0.99 -1.29 -3.38 116.97 114.66 3ag1 h TYR 40 Ca 0.02 -0.13 0.00 0.00 2.00 0.00 0.00 58.73 60.62 3ag1 h TYR 40 Cb 0.34 -0.01 0.00 0.00 1.00 0.00 0.00 36.73 38.06 3ag1 h TYR 40 CO 0.00 1.25 0.00 1.63 -0.00 0.00 0.00 178.16 181.04 3ag1 n LYS 41 N -3.22 0.00 -3.15 4.88 5.02 -0.79 -3.93 118.16 116.97 3ag1 n LYS 41 Ca -0.20 0.49 -0.45 0.00 -2.02 0.00 0.00 58.31 56.12 3ag1 n LYS 41 Cb 1.05 -1.41 -0.04 0.00 -0.02 0.00 0.00 35.03 34.61 3ag1 n LYS 41 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3ag1 s LYS 42 N -2.65 3.26 0.00 1.97 2.47 -1.17 -5.13 119.74 118.49 3ag1 s LYS 42 Ca 0.00 -1.69 0.00 0.00 -1.56 0.00 0.00 55.97 52.72 3ag1 s LYS 42 Cb 0.00 -4.42 0.00 0.00 -1.46 0.00 0.00 37.83 31.95 3ag1 s LYS 42 CO 0.00 -1.51 0.00 0.43 0.16 0.00 0.00 175.35 174.43