#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag3 s THR 2 N 0.00 3.19 0.05 9.51 -4.23 -1.26 -5.14 115.64 117.76 3ag3 s THR 2 Ca 0.00 -1.49 -0.01 0.00 -1.18 0.00 0.00 61.69 59.01 3ag3 s THR 2 Cb 0.00 -2.53 -0.04 0.00 1.34 0.00 0.00 72.50 71.27 3ag3 s THR 2 CO 0.00 0.01 -0.03 0.00 -0.54 0.00 0.00 174.62 174.06 3ag3 s ALA 3 N -1.42 0.52 0.78 3.99 0.00 -1.26 -5.16 121.76 119.22 3ag3 s ALA 3 Ca 0.22 -1.19 -0.14 0.00 0.00 0.00 0.00 51.96 50.85 3ag3 s ALA 3 Cb -0.10 0.26 0.07 0.00 0.00 0.00 0.00 23.12 23.35 3ag3 s ALA 3 CO 0.14 -0.35 1.21 0.15 0.00 0.00 0.00 175.76 176.91 3ag3 s LYS 4 N -3.82 1.77 0.68 0.00 1.02 -1.26 -4.99 119.74 113.15 3ag3 s LYS 4 Ca 0.06 1.78 -0.14 0.00 0.02 0.00 0.00 55.97 57.69 3ag3 s LYS 4 Cb 0.07 -1.79 0.01 0.00 -0.52 0.00 0.00 37.83 35.61 3ag3 s LYS 4 CO -0.09 -2.12 1.12 -1.25 -0.92 0.00 0.00 175.35 172.09 3ag3 s PRO 5 N -4.05 2.62 0.03 -1.68 0.04 -1.26 -4.89 135.00 125.82 3ag3 s PRO 5 Ca 0.74 1.42 -0.38 0.00 0.04 0.00 0.00 61.00 62.81 3ag3 s PRO 5 Cb -0.29 -1.93 -0.18 0.00 0.04 0.00 0.00 34.50 32.14 3ag3 s PRO 5 CO 0.49 -1.39 1.23 0.00 0.04 0.00 0.00 177.00 177.37 3ag3 n ALA 6 N -2.60 -2.16 0.04 8.56 0.00 -1.26 -4.83 120.51 118.25 3ag3 n ALA 6 Ca 0.11 0.55 -0.09 0.00 0.00 0.00 0.00 53.44 54.01 3ag3 n ALA 6 Cb 0.52 -1.94 0.06 0.00 0.00 0.00 0.00 19.45 18.09 3ag3 n ALA 6 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3ag3 h LYS 7 N 3.93 0.44 -2.23 0.00 1.57 -2.05 -3.36 116.57 114.87 3ag3 h LYS 7 Ca -0.49 -0.31 -0.58 0.00 -1.87 0.00 0.00 60.65 57.40 3ag3 h LYS 7 Cb 1.38 0.05 -0.40 0.00 0.08 0.00 0.00 32.23 33.34 3ag3 h LYS 7 CO 0.73 0.93 -0.94 0.25 -0.57 0.00 0.00 179.45 179.85 3ag3 n THR 8 N -3.90 -0.10 -1.58 -0.16 -2.24 -1.26 -5.12 114.28 99.91 3ag3 n THR 8 Ca -0.03 -4.14 -0.39 0.00 -2.27 0.00 0.00 64.05 57.22 3ag3 n THR 8 Cb 0.65 -1.92 0.03 0.00 -2.10 0.00 0.00 70.33 66.99 3ag3 n THR 8 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3ag3 n PRO 9 N 1.75 0.99 -3.87 -0.78 -0.02 -1.26 -4.96 135.00 126.86 3ag3 n PRO 9 Ca 0.25 0.37 -0.35 0.00 -2.02 0.00 0.00 63.50 61.75 3ag3 n PRO 9 Cb 0.48 -2.02 -0.13 0.00 -0.02 0.00 0.00 33.50 31.81 3ag3 n PRO 9 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3ag3 s THR 10 N -1.47 2.97 0.91 3.45 2.01 -1.26 -5.10 115.64 117.15 3ag3 s THR 10 Ca 0.70 -1.94 -0.11 0.00 0.31 0.00 0.00 61.69 60.64 3ag3 s THR 10 Cb -0.48 -2.98 0.14 0.00 0.01 0.00 0.00 72.50 69.19 3ag3 s THR 10 CO 0.52 -0.51 1.09 -0.94 -0.69 0.00 0.00 174.62 174.09 3ag3 s SER 11 N 1.47 3.33 0.34 3.53 1.04 -1.26 -4.67 113.70 117.47 3ag3 s SER 11 Ca 0.05 1.54 0.11 0.00 0.48 0.00 0.00 55.95 58.13 3ag3 s SER 11 Cb -0.21 -2.21 0.92 0.00 0.10 0.00 0.00 66.02 64.62 3ag3 s SER 11 CO -0.04 -2.74 1.75 -0.65 0.98 0.00 0.00 173.24 172.54 3ag3 h PRO 12 N -1.62 0.55 -0.21 4.02 0.11 -1.99 0.46 132.00 133.32 3ag3 h PRO 12 Ca -0.50 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.53 3ag3 h PRO 12 Cb 1.28 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3ag3 h PRO 12 CO 0.54 0.36 -0.08 -0.22 -0.21 0.00 0.00 178.00 178.38 3ag3 h LYS 13 N 0.56 0.42 -0.76 1.05 3.11 -1.99 -0.14 116.57 118.83 3ag3 h LYS 13 Ca 0.62 -0.18 -0.02 0.00 -2.81 0.00 0.00 60.65 58.26 3ag3 h LYS 13 Cb 1.24 -0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 32.42 3ag3 h LYS 13 CO -0.42 0.70 0.39 0.93 -2.81 0.00 0.00 179.45 178.23 3ag3 h GLU 14 N 0.13 1.07 -0.58 1.90 5.08 -1.52 -2.20 114.58 118.46 3ag3 h GLU 14 Ca 0.05 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 3ag3 h GLU 14 Cb 0.56 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 3ag3 h GLU 14 CO 0.03 0.81 0.15 1.96 -1.00 0.00 0.00 179.01 180.95 3ag3 h GLN 15 N 1.07 0.89 -1.01 2.33 4.20 -0.62 -0.28 115.11 121.69 3ag3 h GLN 15 Ca 0.26 -0.18 0.02 0.00 0.06 0.00 0.00 58.65 58.82 3ag3 h GLN 15 Cb 0.07 -0.13 -0.05 0.00 0.30 0.00 0.00 27.48 27.67 3ag3 h GLN 15 CO -0.04 0.79 0.66 0.00 -0.67 0.00 0.00 178.83 179.58 3ag3 h ALA 16 N 1.31 1.31 -0.04 3.87 0.00 -0.59 0.20 119.26 125.32 3ag3 h ALA 16 Ca 0.19 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3ag3 h ALA 16 Cb 0.30 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3ag3 h ALA 16 CO -0.00 0.61 -0.04 0.82 0.00 0.00 0.00 179.25 180.64 3ag3 h ILE 17 N 1.32 1.38 -0.59 0.00 2.04 -0.84 -1.26 117.51 119.56 3ag3 h ILE 17 Ca 0.39 -1.20 0.09 0.00 1.00 0.00 0.00 64.86 65.14 3ag3 h ILE 17 Cb -0.08 2.09 -0.07 0.00 -0.74 0.00 0.00 36.82 38.02 3ag3 h ILE 17 CO -0.10 0.32 0.19 1.23 0.00 0.00 0.00 178.15 179.79 3ag3 h GLY 18 N -0.35 0.80 0.78 5.37 0.00 -0.82 0.16 103.07 109.00 3ag3 h GLY 18 Ca 0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 3ag3 h GLY 18 CO 0.01 -0.04 -0.06 -2.00 0.00 0.00 0.00 176.54 174.46 3ag3 h LEU 19 N 0.36 0.35 -0.80 3.11 5.85 -0.60 0.35 115.31 123.92 3ag3 h LEU 19 Ca 0.30 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 3ag3 h LEU 19 Cb 0.38 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 3ag3 h LEU 19 CO -0.32 0.65 0.48 0.28 -0.34 0.00 0.00 178.44 179.20 3ag3 h SER 20 N 0.04 0.96 0.11 1.25 0.02 -0.99 0.10 113.55 115.05 3ag3 h SER 20 Ca 0.04 -0.07 -0.16 0.00 -0.84 0.00 0.00 61.79 60.77 3ag3 h SER 20 Cb 0.51 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 3ag3 h SER 20 CO 0.02 0.75 -0.57 0.58 -1.14 0.00 0.00 176.83 176.46 3ag3 h VAL 21 N 1.10 1.34 -0.10 2.27 2.07 -0.54 -1.04 116.25 121.35 3ag3 h VAL 21 Ca 0.29 -1.85 -0.01 0.00 0.82 0.00 0.00 66.70 65.95 3ag3 h VAL 21 Cb -0.04 1.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3ag3 h VAL 21 CO -0.05 0.57 0.04 0.74 0.02 0.00 0.00 177.57 178.88 3ag3 h THR 22 N 0.36 1.16 -0.66 2.57 2.02 -0.37 -1.07 112.91 116.93 3ag3 h THR 22 Ca 0.00 -0.49 0.02 0.00 0.77 0.00 0.00 66.41 66.72 3ag3 h THR 22 Cb 1.11 1.30 -0.04 0.00 -1.74 0.00 0.00 68.15 68.78 3ag3 h THR 22 CO 0.10 0.14 0.41 -0.26 0.37 0.00 0.00 175.52 176.29 3ag3 h PHE 23 N -0.01 0.77 -0.28 3.16 0.05 -0.74 -2.54 116.94 117.35 3ag3 h PHE 23 Ca 0.03 0.02 -0.06 0.00 3.82 0.00 0.00 57.97 61.79 3ag3 h PHE 23 Cb 0.19 -0.25 -0.02 0.00 2.00 0.00 0.00 35.95 37.87 3ag3 h PHE 23 CO -0.01 0.45 -0.07 -0.07 -0.18 0.00 0.00 178.31 178.43 3ag3 h LEU 24 N 0.82 0.42 -1.59 1.54 3.38 -0.87 -0.95 115.31 118.06 3ag3 h LEU 24 Ca 0.26 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 3ag3 h LEU 24 Cb -0.00 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3ag3 h LEU 24 CO -0.09 0.55 -0.22 0.77 0.09 0.00 0.00 178.44 179.53 3ag3 h SER 25 N 0.42 0.00 0.19 -0.43 4.64 -0.76 -0.93 113.55 116.68 3ag3 h SER 25 Ca 0.09 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.07 3ag3 h SER 25 Cb 0.40 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.50 3ag3 h SER 25 CO 0.02 0.22 -1.65 -0.26 -0.87 0.00 0.00 176.83 174.29 3ag3 h PHE 26 N 0.00 0.73 0.11 4.77 -1.00 -1.36 -3.41 116.94 116.79 3ag3 h PHE 26 Ca -0.00 -0.53 -0.28 0.00 2.81 0.00 0.00 57.97 59.96 3ag3 h PHE 26 Cb 0.44 -0.03 -0.00 0.00 3.61 0.00 0.00 35.95 39.97 3ag3 h PHE 26 CO 0.00 1.64 -1.36 -0.07 -1.61 0.00 0.00 178.31 176.91 3ag3 h LEU 27 N 0.06 0.38 -0.04 1.54 3.38 -0.99 -3.36 115.31 116.28 3ag3 h LEU 27 Ca -0.32 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.18 3ag3 h LEU 27 Cb 2.07 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 42.69 3ag3 h LEU 27 CO 0.18 1.36 -0.03 -0.07 0.09 0.00 0.00 178.44 179.97 3ag3 h LEU 28 N 0.07 0.10 0.15 1.67 3.38 -1.40 -0.74 115.31 118.53 3ag3 h LEU 28 Ca -0.18 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.32 3ag3 h LEU 28 Cb 1.98 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.71 3ag3 h LEU 28 CO 0.18 0.54 -0.07 -0.65 0.09 0.00 0.00 178.44 178.53 3ag3 h PRO 29 N -0.35 -0.20 -0.65 1.13 0.11 -1.80 0.15 132.00 130.40 3ag3 h PRO 29 Ca 0.01 0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.16 3ag3 h PRO 29 Cb 0.51 0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.63 3ag3 h PRO 29 CO 0.01 0.01 0.41 0.00 -0.21 0.00 0.00 178.00 178.21 3ag3 h ALA 30 N 0.45 0.85 -0.78 -0.75 0.00 -1.71 -0.86 119.26 116.45 3ag3 h ALA 30 Ca -0.02 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3ag3 h ALA 30 Cb 0.29 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3ag3 h ALA 30 CO 0.03 0.17 0.51 0.78 0.00 0.00 0.00 179.25 180.75 3ag3 h GLY 31 N 0.80 1.11 0.94 0.00 0.00 -1.01 0.19 103.07 105.10 3ag3 h GLY 31 Ca 0.26 -0.40 0.01 0.00 0.00 0.00 0.00 47.33 47.20 3ag3 h GLY 31 CO -0.10 0.37 0.22 -0.25 0.00 0.00 0.00 176.54 176.78 3ag3 h TRP 32 N 1.02 0.42 -0.24 5.60 7.01 -0.17 0.78 115.95 130.37 3ag3 h TRP 32 Ca 0.30 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.29 3ag3 h TRP 32 Cb -0.07 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 26.85 3ag3 h TRP 32 CO -0.02 0.25 0.06 0.28 -2.79 0.00 0.00 178.44 176.21 3ag3 h VAL 33 N 0.45 1.21 -0.38 2.65 2.07 -0.48 -2.68 116.25 119.09 3ag3 h VAL 33 Ca 0.14 -0.69 -0.06 0.00 0.82 0.00 0.00 66.70 66.91 3ag3 h VAL 33 Cb -0.01 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3ag3 h VAL 33 CO -0.06 0.22 0.00 -0.07 0.02 0.00 0.00 177.57 177.69 3ag3 h LEU 34 N 0.21 0.57 -1.39 2.57 4.07 -0.33 -2.47 115.31 118.54 3ag3 h LEU 34 Ca 0.08 -0.12 0.04 0.00 0.08 0.00 0.00 57.88 57.96 3ag3 h LEU 34 Cb 0.28 -0.15 -0.04 0.00 1.08 0.00 0.00 40.66 41.84 3ag3 h LEU 34 CO 0.00 0.64 0.44 0.22 -1.08 0.00 0.00 178.44 178.66 3ag3 h TYR 35 N 0.57 0.76 -0.58 1.13 3.20 -0.65 -2.71 116.97 118.69 3ag3 h TYR 35 Ca 0.12 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.01 3ag3 h TYR 35 Cb 0.36 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.38 3ag3 h TYR 35 CO 0.01 0.44 0.00 0.72 -1.64 0.00 0.00 178.16 177.70 3ag3 n HIS 36 N -4.46 1.08 -0.16 -3.82 8.25 -0.95 -4.51 115.22 110.65 3ag3 n HIS 36 Ca 0.08 -0.58 -0.03 0.00 -0.26 0.00 0.00 57.72 56.93 3ag3 n HIS 36 Cb 0.14 -0.13 0.06 0.00 1.12 0.00 0.00 29.99 31.17 3ag3 n HIS 36 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3ag3 h LEU 37 N 3.53 0.18 -1.20 2.41 3.38 -1.23 -1.92 115.31 120.47 3ag3 h LEU 37 Ca 0.00 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.09 3ag3 h LEU 37 Cb 1.17 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.91 3ag3 h LEU 37 CO 0.12 0.13 0.56 -0.78 0.09 0.00 0.00 178.44 178.56 3ag3 h ASP 38 N 0.35 0.85 -0.49 -0.43 3.58 -1.83 0.08 116.42 118.53 3ag3 h ASP 38 Ca 0.24 0.01 0.08 0.00 0.42 0.00 0.00 57.03 57.77 3ag3 h ASP 38 Cb 0.25 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.09 3ag3 h ASP 38 CO -0.24 0.55 0.33 0.78 -2.88 0.00 0.00 179.24 177.78 3ag3 h ASN 39 N 0.96 0.28 0.17 2.28 4.21 -1.70 -3.26 115.58 118.52 3ag3 h ASN 39 Ca 0.37 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.88 3ag3 h ASN 39 Cb 0.21 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.36 3ag3 h ASN 39 CO -0.14 0.17 -0.08 1.88 -1.29 0.00 0.00 177.43 177.98 3ag3 h TYR 40 N 0.31 -0.21 -0.33 1.19 0.99 -0.45 -3.23 116.97 115.24 3ag3 h TYR 40 Ca 0.22 -0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.99 3ag3 h TYR 40 Cb 0.48 0.07 -0.06 0.00 1.00 0.00 0.00 36.73 38.21 3ag3 h TYR 40 CO -0.00 -0.04 -0.41 0.87 -0.00 0.00 0.00 178.16 178.58 3ag3 h LYS 41 N -1.04 -0.26 -2.43 4.88 1.57 -1.37 -1.67 116.57 116.25 3ag3 h LYS 41 Ca -0.02 0.02 -0.70 0.00 -1.87 0.00 0.00 60.65 58.07 3ag3 h LYS 41 Cb 0.27 0.06 -0.35 0.00 0.08 0.00 0.00 32.23 32.29 3ag3 h LYS 41 CO 0.04 -0.17 0.12 1.17 -0.57 0.00 0.00 179.45 180.04 3ag3 n LYS 42 N -4.64 3.85 0.00 3.15 3.00 -1.23 -5.14 118.16 117.14 3ag3 n LYS 42 Ca -0.02 -4.69 0.14 0.00 -0.00 0.00 0.00 58.31 53.74 3ag3 n LYS 42 Cb 0.24 -2.37 0.54 0.00 0.00 0.00 0.00 35.03 33.44 3ag3 n LYS 42 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83