#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 2.72 0.19 9.51 -4.23 -1.26 -5.15 115.64 117.42 3ag3 s THR 2 Ca 0.00 -2.16 -0.10 0.00 -1.18 0.00 0.00 61.69 58.25 3ag3 s THR 2 Cb 0.00 -2.40 -0.01 0.00 1.34 0.00 0.00 72.50 71.43 3ag3 s THR 2 CO 0.00 -0.31 0.34 0.00 -0.54 0.00 0.00 174.62 174.11 3ag3 s ALA 3 N -2.23 -0.07 0.74 3.99 0.00 -1.26 -5.15 121.76 117.78 3ag3 s ALA 3 Ca 0.28 -0.87 -0.11 0.00 0.00 0.00 0.00 51.96 51.27 3ag3 s ALA 3 Cb -0.06 0.94 0.04 0.00 0.00 0.00 0.00 23.12 24.03 3ag3 s ALA 3 CO 0.15 -0.70 1.08 0.15 0.00 0.00 0.00 175.76 176.43 3ag3 s LYS 4 N -3.98 2.55 0.71 0.00 1.02 -1.26 -5.00 119.74 113.77 3ag3 s LYS 4 Ca 0.19 1.02 -0.16 0.00 0.02 0.00 0.00 55.97 57.04 3ag3 s LYS 4 Cb 0.02 -1.94 0.03 0.00 -0.52 0.00 0.00 37.83 35.42 3ag3 s LYS 4 CO 0.02 -1.40 1.25 -2.14 -0.92 0.00 0.00 175.35 172.17 3ag3 s PRO 5 N -4.99 2.20 0.26 -1.68 0.02 -1.26 -4.87 135.00 124.69 3ag3 s PRO 5 Ca 0.60 1.91 -0.29 0.00 0.02 0.00 0.00 61.00 63.23 3ag3 s PRO 5 Cb -0.15 -1.82 -0.14 0.00 0.02 0.00 0.00 34.50 32.40 3ag3 s PRO 5 CO 0.55 -1.82 1.08 0.00 -0.33 0.00 0.00 177.00 176.48 3ag3 n ALA 6 N -2.48 -0.23 0.18 -1.55 0.00 -1.26 -4.90 120.51 110.27 3ag3 n ALA 6 Ca 0.15 0.41 0.06 0.00 0.00 0.00 0.00 53.44 54.05 3ag3 n ALA 6 Cb 0.49 -2.04 0.26 0.00 0.00 0.00 0.00 19.45 18.16 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 2.47 0.00 -2.10 0.00 1.57 -2.05 -3.37 116.57 113.09 3ag3 h LYS 7 Ca -0.41 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.80 3ag3 h LYS 7 Cb 1.34 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 33.26 3ag3 h LYS 7 CO 0.64 0.38 -1.07 0.25 -0.57 0.00 0.00 179.45 179.09 3ag3 n THR 8 N -3.40 -0.86 -1.57 -0.16 -2.24 -1.26 -5.12 114.28 99.66 3ag3 n THR 8 Ca 0.01 -3.81 -0.41 0.00 -2.27 0.00 0.00 64.05 57.57 3ag3 n THR 8 Cb 0.56 -1.84 0.01 0.00 -2.10 0.00 0.00 70.33 66.96 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 1.87 1.09 -3.77 -0.78 -0.02 -1.26 -4.94 135.00 127.18 3ag3 n PRO 9 Ca 0.24 0.39 -0.37 0.00 -2.02 0.00 0.00 63.50 61.75 3ag3 n PRO 9 Cb 0.51 -1.90 -0.12 0.00 -0.02 0.00 0.00 33.50 31.98 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 -1.34 3.39 0.94 3.45 2.01 -1.26 -5.11 115.64 117.73 3ag3 s THR 10 Ca 0.64 -1.84 -0.12 0.00 0.31 0.00 0.00 61.69 60.68 3ag3 s THR 10 Cb -0.56 -3.22 0.16 0.00 0.01 0.00 0.00 72.50 68.88 3ag3 s THR 10 CO 0.56 -0.57 1.10 -0.94 -0.69 0.00 0.00 174.62 174.08 3ag3 s SER 11 N 1.79 3.12 0.29 3.53 1.04 -1.26 -4.66 113.70 117.54 3ag3 s SER 11 Ca 0.05 1.28 0.03 0.00 0.48 0.00 0.00 55.95 57.79 3ag3 s SER 11 Cb -0.22 -1.95 0.68 0.00 0.10 0.00 0.00 66.02 64.63 3ag3 s SER 11 CO -0.03 -2.83 1.75 -0.65 0.98 0.00 0.00 173.24 172.46 3ag3 h PRO 12 N -1.68 0.59 -0.40 4.02 0.11 -1.99 0.12 132.00 132.77 3ag3 h PRO 12 Ca -0.52 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.50 3ag3 h PRO 12 Cb 1.31 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3ag3 h PRO 12 CO 0.57 0.39 0.04 -0.22 -0.21 0.00 0.00 178.00 178.57 3ag3 h LYS 13 N 0.61 0.67 -0.44 1.05 3.11 -1.99 0.16 116.57 119.74 3ag3 h LYS 13 Ca 0.54 -0.19 -0.05 0.00 -2.81 0.00 0.00 60.65 58.14 3ag3 h LYS 13 Cb 0.88 -0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 32.02 3ag3 h LYS 13 CO -0.42 0.74 0.07 0.93 -2.81 0.00 0.00 179.45 177.95 3ag3 h GLU 14 N 0.51 0.67 -0.58 1.90 5.08 -1.61 -1.02 114.58 119.54 3ag3 h GLU 14 Ca 0.12 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 3ag3 h GLU 14 Cb 0.41 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3ag3 h GLU 14 CO 0.01 0.65 -0.01 1.96 -1.00 0.00 0.00 179.01 180.62 3ag3 h GLN 15 N 0.65 1.01 -0.34 2.33 4.20 -0.10 -1.10 115.11 121.75 3ag3 h GLN 15 Ca 0.14 -0.31 -0.06 0.00 0.06 0.00 0.00 58.65 58.47 3ag3 h GLN 15 Cb 0.31 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 3ag3 h GLN 15 CO 0.00 0.99 -0.06 0.00 -0.67 0.00 0.00 178.83 179.10 3ag3 h ALA 16 N 1.06 1.26 -0.06 3.87 0.00 -0.38 0.73 119.26 125.74 3ag3 h ALA 16 Ca 0.16 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3ag3 h ALA 16 Cb 0.55 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3ag3 h ALA 16 CO 0.03 0.49 -0.02 0.82 0.00 0.00 0.00 179.25 180.56 3ag3 h ILE 17 N 0.53 1.32 -0.40 0.00 2.04 -0.71 -1.48 117.51 118.81 3ag3 h ILE 17 Ca 0.10 -1.01 0.01 0.00 1.00 0.00 0.00 64.86 64.97 3ag3 h ILE 17 Cb 0.43 1.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.37 3ag3 h ILE 17 CO 0.02 0.28 0.25 1.23 0.00 0.00 0.00 178.15 179.93 3ag3 h GLY 18 N -0.26 0.56 0.87 5.37 0.00 -0.70 -0.06 103.07 108.85 3ag3 h GLY 18 Ca 0.01 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 3ag3 h GLY 18 CO 0.01 0.18 0.01 -2.00 0.00 0.00 0.00 176.54 174.74 3ag3 h LEU 19 N 0.51 0.47 -0.41 3.11 5.85 -0.89 -1.14 115.31 122.80 3ag3 h LEU 19 Ca 0.15 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 3ag3 h LEU 19 Cb -0.03 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 3ag3 h LEU 19 CO -0.05 0.65 0.18 0.28 -0.34 0.00 0.00 178.44 179.16 3ag3 h SER 20 N 0.27 0.56 -0.56 1.25 0.02 -1.08 0.44 113.55 114.45 3ag3 h SER 20 Ca 0.08 -0.15 -0.11 0.00 -0.84 0.00 0.00 61.79 60.77 3ag3 h SER 20 Cb 0.40 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 3ag3 h SER 20 CO 0.01 0.56 -0.09 0.58 -1.14 0.00 0.00 176.83 176.75 3ag3 h VAL 21 N 0.53 1.27 0.09 2.27 2.07 -0.96 -1.50 116.25 120.02 3ag3 h VAL 21 Ca 0.14 -1.25 0.01 0.00 0.82 0.00 0.00 66.70 66.42 3ag3 h VAL 21 Cb 0.16 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3ag3 h VAL 21 CO -0.01 0.45 -0.17 0.74 0.02 0.00 0.00 177.57 178.59 3ag3 h THR 22 N 0.94 0.61 -0.50 2.57 2.02 -0.88 -0.05 112.91 117.62 3ag3 h THR 22 Ca 0.15 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.35 3ag3 h THR 22 Cb 0.66 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 3ag3 h THR 22 CO 0.05 0.00 0.30 -0.26 0.37 0.00 0.00 175.52 175.98 3ag3 h PHE 23 N -0.32 0.57 -0.03 3.16 0.05 -0.77 -2.04 116.94 117.55 3ag3 h PHE 23 Ca 0.03 0.02 -0.05 0.00 3.82 0.00 0.00 57.97 61.78 3ag3 h PHE 23 Cb 0.34 -0.19 -0.01 0.00 2.00 0.00 0.00 35.95 38.10 3ag3 h PHE 23 CO -0.18 0.33 -0.21 -0.07 -0.18 0.00 0.00 178.31 178.01 3ag3 h LEU 24 N 0.61 0.05 -1.10 1.54 3.38 -1.07 -0.69 115.31 118.04 3ag3 h LEU 24 Ca 0.20 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 3ag3 h LEU 24 Cb 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3ag3 h LEU 24 CO -0.08 0.27 -0.42 0.77 0.09 0.00 0.00 178.44 179.07 3ag3 h SER 25 N 0.05 0.00 0.30 -0.43 4.64 -0.26 -0.18 113.55 117.67 3ag3 h SER 25 Ca 0.01 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.00 3ag3 h SER 25 Cb 0.41 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 3ag3 h SER 25 CO 0.03 0.42 -1.81 -0.26 -0.87 0.00 0.00 176.83 174.34 3ag3 h PHE 26 N 0.00 0.36 -0.05 4.77 -1.00 -1.35 -3.41 116.94 116.26 3ag3 h PHE 26 Ca -0.00 -0.26 -0.24 0.00 2.81 0.00 0.00 57.97 60.28 3ag3 h PHE 26 Cb 0.81 -0.01 0.01 0.00 3.61 0.00 0.00 35.95 40.37 3ag3 h PHE 26 CO 0.00 1.48 -0.93 -0.07 -1.61 0.00 0.00 178.31 177.19 3ag3 h LEU 27 N 0.05 0.79 0.01 1.54 3.38 -0.94 -3.36 115.31 116.78 3ag3 h LEU 27 Ca -0.35 -0.59 -0.00 0.00 0.09 0.00 0.00 57.88 57.03 3ag3 h LEU 27 Cb 2.03 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.54 3ag3 h LEU 27 CO 0.11 1.39 -0.00 -0.07 0.09 0.00 0.00 178.44 179.95 3ag3 h LEU 28 N 0.38 -0.01 -0.19 1.67 3.38 -1.26 0.78 115.31 120.07 3ag3 h LEU 28 Ca -0.09 -0.57 -0.01 0.00 0.09 0.00 0.00 57.88 57.30 3ag3 h LEU 28 Cb 1.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 3ag3 h LEU 28 CO 0.18 0.57 0.06 -0.65 0.09 0.00 0.00 178.44 178.68 3ag3 h PRO 29 N -0.58 0.29 -0.50 1.13 0.11 -1.78 0.76 132.00 131.43 3ag3 h PRO 29 Ca -0.00 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 66.06 3ag3 h PRO 29 Cb 0.57 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.61 3ag3 h PRO 29 CO 0.00 0.40 0.31 0.00 -0.21 0.00 0.00 178.00 178.50 3ag3 h ALA 30 N 0.88 0.64 -0.57 -0.75 0.00 -1.71 -1.76 119.26 115.99 3ag3 h ALA 30 Ca 0.06 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.02 3ag3 h ALA 30 Cb 0.23 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 3ag3 h ALA 30 CO -0.00 0.03 0.26 0.78 0.00 0.00 0.00 179.25 180.32 3ag3 h GLY 31 N 0.63 0.81 0.96 0.00 0.00 -0.55 0.37 103.07 105.29 3ag3 h GLY 31 Ca 0.19 -0.16 0.01 0.00 0.00 0.00 0.00 47.33 47.37 3ag3 h GLY 31 CO -0.07 0.05 0.06 -0.25 0.00 0.00 0.00 176.54 176.33 3ag3 h TRP 32 N 0.47 0.11 -0.44 5.60 7.01 -0.49 0.21 115.95 128.41 3ag3 h TRP 32 Ca 0.27 0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.29 3ag3 h TRP 32 Cb 0.26 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.26 3ag3 h TRP 32 CO -0.13 0.06 0.27 0.28 -2.79 0.00 0.00 178.44 176.13 3ag3 h VAL 33 N 0.13 1.06 -0.15 2.65 2.07 -0.83 -2.58 116.25 118.61 3ag3 h VAL 33 Ca 0.05 -0.19 -0.22 0.00 0.82 0.00 0.00 66.70 67.15 3ag3 h VAL 33 Cb 0.00 0.47 0.01 0.00 -1.52 0.00 0.00 31.29 30.25 3ag3 h VAL 33 CO -0.03 0.10 -0.78 -0.07 0.02 0.00 0.00 177.57 176.81 3ag3 h LEU 34 N 0.54 0.95 -1.02 2.57 -0.00 -0.67 -2.52 115.31 115.16 3ag3 h LEU 34 Ca 0.17 -0.63 0.25 0.00 -0.00 0.00 0.00 57.88 57.67 3ag3 h LEU 34 Cb -0.01 -0.28 -0.12 0.00 -0.00 0.00 0.00 40.66 40.25 3ag3 h LEU 34 CO -0.07 1.43 0.60 0.22 -0.00 0.00 0.00 178.44 180.62 3ag3 h TYR 35 N 0.53 1.00 -0.63 1.13 3.20 -0.54 -2.62 116.97 119.04 3ag3 h TYR 35 Ca -0.06 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.85 3ag3 h TYR 35 Cb 1.42 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 39.40 3ag3 h TYR 35 CO 0.09 0.06 0.00 0.72 -1.64 0.00 0.00 178.16 177.39 3ag3 n HIS 36 N -4.88 0.87 -0.23 -3.82 8.25 -0.98 -4.57 115.22 109.86 3ag3 n HIS 36 Ca 0.27 -0.43 0.01 0.00 -0.26 0.00 0.00 57.72 57.31 3ag3 n HIS 36 Cb 0.76 -0.01 0.13 0.00 1.12 0.00 0.00 29.99 31.99 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 3.70 0.37 -0.85 2.41 3.38 -1.06 -1.05 115.31 122.21 3ag3 h LEU 37 Ca 0.00 0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 3ag3 h LEU 37 Cb 0.87 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 3ag3 h LEU 37 CO 0.01 0.21 -0.15 -0.78 0.09 0.00 0.00 178.44 177.82 3ag3 h ASP 38 N 0.53 0.69 -0.45 -0.43 3.58 -1.83 0.46 116.42 118.96 3ag3 h ASP 38 Ca 0.34 -0.21 0.13 0.00 0.42 0.00 0.00 57.03 57.71 3ag3 h ASP 38 Cb 0.40 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 3ag3 h ASP 38 CO -0.29 0.85 0.36 0.78 -2.88 0.00 0.00 179.24 178.06 3ag3 h ASN 39 N 0.63 0.00 0.00 2.28 4.21 -1.54 -1.09 115.58 120.06 3ag3 h ASN 39 Ca 0.10 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.56 3ag3 h ASN 39 Cb 0.61 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.80 3ag3 h ASN 39 CO 0.04 0.00 -0.35 1.88 -1.29 0.00 0.00 177.43 177.71 3ag3 h TYR 40 N 0.00 0.00 -0.95 1.19 0.99 -0.73 -3.28 116.97 114.19 3ag3 h TYR 40 Ca 0.21 0.00 0.20 0.00 2.00 0.00 0.00 58.73 61.15 3ag3 h TYR 40 Cb 0.93 0.00 -0.11 0.00 1.00 0.00 0.00 36.73 38.55 3ag3 h TYR 40 CO 0.00 0.75 0.53 0.87 -0.00 0.00 0.00 178.16 180.30 3ag3 h LYS 41 N -1.00 0.59 -2.21 4.88 1.57 0.03 -2.05 116.57 118.37 3ag3 h LYS 41 Ca -0.08 -0.04 -0.57 0.00 -1.87 0.00 0.00 60.65 58.09 3ag3 h LYS 41 Cb 0.77 -0.13 -0.42 0.00 0.08 0.00 0.00 32.23 32.53 3ag3 h LYS 41 CO -0.05 0.39 -0.74 1.17 -0.57 0.00 0.00 179.45 179.66 3ag3 n LYS 42 N -4.88 2.65 0.00 3.15 3.00 -0.43 -5.08 118.16 116.57 3ag3 n LYS 42 Ca 0.23 -4.53 0.00 0.00 -0.00 0.00 0.00 58.31 54.01 3ag3 n LYS 42 Cb 0.61 -2.12 0.00 0.00 0.00 0.00 0.00 35.03 33.53 3ag3 n LYS 42 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83