#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag4 s THR 2 N 0.00 3.17 0.17 9.51 -4.23 -1.26 -5.16 115.64 117.84 3ag4 s THR 2 Ca 0.00 -1.95 -0.13 0.00 -1.18 0.00 0.00 61.69 58.43 3ag4 s THR 2 Cb 0.00 -2.66 0.01 0.00 1.34 0.00 0.00 72.50 71.19 3ag4 s THR 2 CO 0.00 -0.31 0.40 0.00 -0.54 0.00 0.00 174.62 174.17 3ag4 s ALA 3 N -2.19 -0.51 0.73 3.99 0.00 -1.26 -5.16 121.76 117.37 3ag4 s ALA 3 Ca 0.29 -0.51 -0.11 0.00 0.00 0.00 0.00 51.96 51.63 3ag4 s ALA 3 Cb -0.07 0.82 0.03 0.00 0.00 0.00 0.00 23.12 23.91 3ag4 s ALA 3 CO 0.18 -0.71 1.08 0.15 0.00 0.00 0.00 175.76 176.45 3ag4 s LYS 4 N -3.91 2.62 0.83 0.00 1.02 -1.26 -5.02 119.74 114.02 3ag4 s LYS 4 Ca 0.12 0.70 -0.12 0.00 0.02 0.00 0.00 55.97 56.69 3ag4 s LYS 4 Cb 0.01 -1.97 0.10 0.00 -0.52 0.00 0.00 37.83 35.45 3ag4 s LYS 4 CO -0.03 -1.26 1.18 -2.14 -0.92 0.00 0.00 175.35 172.19 3ag4 s PRO 5 N -5.17 1.52 0.26 -1.68 0.02 -1.26 -4.88 135.00 123.82 3ag4 s PRO 5 Ca 0.59 1.67 -0.30 0.00 0.02 0.00 0.00 61.00 62.97 3ag4 s PRO 5 Cb -0.13 -1.77 -0.13 0.00 0.02 0.00 0.00 34.50 32.49 3ag4 s PRO 5 CO 0.54 -2.28 1.41 0.00 -0.33 0.00 0.00 177.00 176.34 3ag4 n ALA 6 N -3.54 1.31 -0.03 -1.55 0.00 -1.26 -4.87 120.51 110.57 3ag4 n ALA 6 Ca 0.13 0.40 -0.07 0.00 0.00 0.00 0.00 53.44 53.89 3ag4 n ALA 6 Cb 0.51 -2.29 0.10 0.00 0.00 0.00 0.00 19.45 17.77 3ag4 n ALA 6 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3ag4 h LYS 7 N 3.97 0.63 -2.59 0.00 1.57 -2.05 -3.37 116.57 114.73 3ag4 h LYS 7 Ca -0.45 -0.30 -0.60 0.00 -1.87 0.00 0.00 60.65 57.43 3ag4 h LYS 7 Cb 1.27 -0.01 -0.40 0.00 0.08 0.00 0.00 32.23 33.18 3ag4 h LYS 7 CO 0.74 0.89 -0.81 0.25 -0.57 0.00 0.00 179.45 179.95 3ag4 n THR 8 N -4.06 0.19 -1.59 -0.16 -2.24 -1.26 -5.12 114.28 100.04 3ag4 n THR 8 Ca -0.01 -4.17 -0.39 0.00 -2.27 0.00 0.00 64.05 57.21 3ag4 n THR 8 Cb 0.49 -1.92 0.03 0.00 -2.10 0.00 0.00 70.33 66.84 3ag4 n THR 8 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3ag4 n PRO 9 N 2.22 1.04 -3.86 -0.78 -0.02 -1.26 -4.93 135.00 127.40 3ag4 n PRO 9 Ca 0.25 0.39 -0.35 0.00 -2.02 0.00 0.00 63.50 61.77 3ag4 n PRO 9 Cb 0.43 -2.04 -0.13 0.00 -0.02 0.00 0.00 33.50 31.74 3ag4 n PRO 9 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3ag4 s THR 10 N -1.44 3.09 0.94 3.45 2.01 -1.26 -5.10 115.64 117.32 3ag4 s THR 10 Ca 0.69 -1.66 -0.12 0.00 0.31 0.00 0.00 61.69 60.91 3ag4 s THR 10 Cb -0.48 -2.92 0.15 0.00 0.01 0.00 0.00 72.50 69.26 3ag4 s THR 10 CO 0.53 -0.34 1.11 -0.94 -0.69 0.00 0.00 174.62 174.28 3ag4 s SER 11 N 1.43 3.17 0.25 3.53 1.04 -1.26 -4.63 113.70 117.24 3ag4 s SER 11 Ca 0.01 1.17 -0.03 0.00 0.48 0.00 0.00 55.95 57.58 3ag4 s SER 11 Cb -0.21 -1.82 0.49 0.00 0.10 0.00 0.00 66.02 64.58 3ag4 s SER 11 CO -0.02 -2.79 1.74 -0.65 0.98 0.00 0.00 173.24 172.50 3ag4 h PRO 12 N -1.66 0.49 -0.44 4.02 0.11 -1.99 0.16 132.00 132.70 3ag4 h PRO 12 Ca -0.52 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.56 3ag4 h PRO 12 Cb 1.32 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 3ag4 h PRO 12 CO 0.59 0.33 0.26 -0.22 -0.21 0.00 0.00 178.00 178.74 3ag4 h LYS 13 N 0.51 0.61 -0.38 1.05 3.64 -2.00 -0.13 116.57 119.87 3ag4 h LYS 13 Ca 0.44 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.67 3ag4 h LYS 13 Cb 0.65 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 3ag4 h LYS 13 CO -0.39 0.46 -0.13 0.93 -2.27 0.00 0.00 179.45 178.05 3ag4 h GLU 14 N 0.59 0.68 -0.51 1.90 5.08 -1.57 -2.04 114.58 118.71 3ag4 h GLU 14 Ca 0.16 -0.22 0.07 0.00 -1.00 0.00 0.00 59.36 58.36 3ag4 h GLU 14 Cb 0.01 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.15 3ag4 h GLU 14 CO -0.03 0.78 0.20 1.96 -1.00 0.00 0.00 179.01 180.92 3ag4 h GLN 15 N 0.62 0.38 -0.99 2.33 4.20 -0.38 -1.52 115.11 119.75 3ag4 h GLN 15 Ca 0.11 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.84 3ag4 h GLN 15 Cb 0.57 -0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.21 3ag4 h GLN 15 CO 0.04 0.25 0.64 0.00 -0.67 0.00 0.00 178.83 179.09 3ag4 h ALA 16 N 1.33 1.33 0.03 3.87 0.00 -0.71 0.28 119.26 125.40 3ag4 h ALA 16 Ca 0.24 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3ag4 h ALA 16 Cb 0.24 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3ag4 h ALA 16 CO -0.23 0.49 -0.02 0.82 0.00 0.00 0.00 179.25 180.31 3ag4 h ILE 17 N 1.21 1.24 -0.62 0.00 2.04 -1.15 -1.41 117.51 118.82 3ag4 h ILE 17 Ca 0.41 -0.90 0.03 0.00 1.00 0.00 0.00 64.86 65.40 3ag4 h ILE 17 Cb 0.07 1.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 3ag4 h ILE 17 CO -0.14 0.23 0.41 1.23 0.00 0.00 0.00 178.15 179.87 3ag4 h GLY 18 N -0.44 0.84 0.92 5.37 0.00 -0.98 -0.09 103.07 108.69 3ag4 h GLY 18 Ca -0.00 -0.30 -0.13 0.00 0.00 0.00 0.00 47.33 46.90 3ag4 h GLY 18 CO 0.01 0.27 -0.41 -2.00 0.00 0.00 0.00 176.54 174.40 3ag4 h LEU 19 N 0.75 0.67 -0.10 3.11 5.85 -0.44 -0.26 115.31 124.90 3ag4 h LEU 19 Ca 0.24 -0.57 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 3ag4 h LEU 19 Cb 0.04 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 3ag4 h LEU 19 CO -0.06 1.12 -0.03 0.28 -0.34 0.00 0.00 178.44 179.40 3ag4 h SER 20 N 0.26 0.20 -0.76 1.25 0.02 -0.97 -0.65 113.55 112.90 3ag4 h SER 20 Ca -0.00 -0.38 0.06 0.00 -0.84 0.00 0.00 61.79 60.63 3ag4 h SER 20 Cb 1.02 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 63.45 3ag4 h SER 20 CO 0.09 0.53 0.45 0.58 -1.14 0.00 0.00 176.83 177.34 3ag4 h VAL 21 N -0.14 1.00 -0.32 2.27 2.07 -1.04 0.31 116.25 120.41 3ag4 h VAL 21 Ca 0.02 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 3ag4 h VAL 21 Cb 0.45 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3ag4 h VAL 21 CO 0.01 0.15 0.14 0.74 0.02 0.00 0.00 177.57 178.63 3ag4 h THR 22 N 0.82 1.17 -0.44 2.57 2.02 -0.57 -0.87 112.91 117.61 3ag4 h THR 22 Ca 0.34 -0.49 -0.04 0.00 0.77 0.00 0.00 66.41 66.98 3ag4 h THR 22 Cb 0.18 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 3ag4 h THR 22 CO -0.18 0.18 0.10 -0.26 0.37 0.00 0.00 175.52 175.73 3ag4 h PHE 23 N 0.37 0.74 -0.35 3.16 0.05 -0.88 -2.56 116.94 117.48 3ag4 h PHE 23 Ca 0.11 -0.09 -0.03 0.00 3.82 0.00 0.00 57.97 61.78 3ag4 h PHE 23 Cb 0.15 -0.21 -0.02 0.00 2.00 0.00 0.00 35.95 37.87 3ag4 h PHE 23 CO -0.01 0.69 0.08 -0.07 -0.18 0.00 0.00 178.31 178.82 3ag4 h LEU 24 N 0.58 0.46 -1.57 1.54 3.38 -0.75 0.17 115.31 119.12 3ag4 h LEU 24 Ca 0.14 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 3ag4 h LEU 24 Cb 0.33 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3ag4 h LEU 24 CO 0.00 0.47 -0.23 0.77 0.09 0.00 0.00 178.44 179.55 3ag4 h SER 25 N 0.50 0.00 0.32 -0.43 4.64 -0.74 -1.84 113.55 115.99 3ag4 h SER 25 Ca 0.12 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.11 3ag4 h SER 25 Cb 0.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3ag4 h SER 25 CO -0.00 0.23 -1.68 -0.26 -0.87 0.00 0.00 176.83 174.24 3ag4 h PHE 26 N 0.00 0.54 0.06 4.77 -1.00 -1.29 -3.42 116.94 116.60 3ag4 h PHE 26 Ca -0.00 -0.39 -0.26 0.00 2.81 0.00 0.00 57.97 60.13 3ag4 h PHE 26 Cb 0.48 -0.02 0.02 0.00 3.61 0.00 0.00 35.95 40.04 3ag4 h PHE 26 CO 0.00 1.52 -1.05 -0.07 -1.61 0.00 0.00 178.31 177.10 3ag4 h LEU 27 N 0.08 0.82 -0.13 1.54 3.38 -0.44 -3.35 115.31 117.20 3ag4 h LEU 27 Ca -0.31 -0.79 -0.04 0.00 0.09 0.00 0.00 57.88 56.83 3ag4 h LEU 27 Cb 2.05 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 42.55 3ag4 h LEU 27 CO 0.16 1.51 -0.09 -0.07 0.09 0.00 0.00 178.44 180.04 3ag4 h LEU 28 N 0.22 0.30 -0.25 1.67 3.38 -1.58 0.13 115.31 119.17 3ag4 h LEU 28 Ca -0.15 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.35 3ag4 h LEU 28 Cb 1.73 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.39 3ag4 h LEU 28 CO 0.20 0.68 0.06 -0.65 0.09 0.00 0.00 178.44 178.82 3ag4 h PRO 29 N -0.08 0.41 -0.65 1.13 0.11 -1.79 0.11 132.00 131.24 3ag4 h PRO 29 Ca 0.02 -0.10 -0.04 0.00 0.11 0.00 0.00 66.00 66.00 3ag4 h PRO 29 Cb 0.58 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.61 3ag4 h PRO 29 CO 0.02 0.51 0.26 0.00 -0.21 0.00 0.00 178.00 178.58 3ag4 h ALA 30 N 0.88 0.85 -0.26 -0.75 0.00 -1.69 -1.51 119.26 116.77 3ag4 h ALA 30 Ca 0.08 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.86 3ag4 h ALA 30 Cb 0.29 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3ag4 h ALA 30 CO 0.00 0.47 -0.03 0.78 0.00 0.00 0.00 179.25 180.47 3ag4 h GLY 31 N 0.92 0.22 0.86 0.00 0.00 -0.49 -0.35 103.07 104.24 3ag4 h GLY 31 Ca 0.22 0.05 0.02 0.00 0.00 0.00 0.00 47.33 47.62 3ag4 h GLY 31 CO -0.02 -0.07 0.22 -0.25 0.00 0.00 0.00 176.54 176.42 3ag4 h TRP 32 N 0.04 0.42 -0.31 5.60 7.01 -0.49 0.18 115.95 128.39 3ag4 h TRP 32 Ca 0.12 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.14 3ag4 h TRP 32 Cb 0.17 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.09 3ag4 h TRP 32 CO -0.23 0.23 0.19 0.28 -2.79 0.00 0.00 178.44 176.13 3ag4 h VAL 33 N 0.46 1.11 -0.47 2.65 2.07 -0.93 -2.59 116.25 118.54 3ag4 h VAL 33 Ca 0.17 -0.25 -0.12 0.00 0.82 0.00 0.00 66.70 67.32 3ag4 h VAL 33 Cb 0.04 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3ag4 h VAL 33 CO -0.09 0.11 -0.16 -0.07 0.02 0.00 0.00 177.57 177.37 3ag4 h LEU 34 N 0.40 0.92 -1.21 2.57 4.07 -0.91 -2.30 115.31 118.85 3ag4 h LEU 34 Ca 0.11 -0.32 -0.02 0.00 0.08 0.00 0.00 57.88 57.74 3ag4 h LEU 34 Cb 0.01 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 41.47 3ag4 h LEU 34 CO -0.02 1.07 0.32 0.22 -1.08 0.00 0.00 178.44 178.95 3ag4 h TYR 35 N 0.80 0.85 -0.41 1.13 3.20 -0.60 -2.66 116.97 119.28 3ag4 h TYR 35 Ca 0.12 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.97 3ag4 h TYR 35 Cb 0.70 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.70 3ag4 h TYR 35 CO 0.04 0.61 0.00 0.72 -1.64 0.00 0.00 178.16 177.89 3ag4 n HIS 36 N -4.37 0.96 -0.37 -3.82 8.25 -0.94 -4.52 115.22 110.41 3ag4 n HIS 36 Ca 0.06 -0.38 0.01 0.00 -0.26 0.00 0.00 57.72 57.14 3ag4 n HIS 36 Cb 0.11 -0.18 0.15 0.00 1.12 0.00 0.00 29.99 31.19 3ag4 n HIS 36 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3ag4 h LEU 37 N 2.61 1.07 -0.47 2.41 3.38 -1.05 -1.81 115.31 121.44 3ag4 h LEU 37 Ca 0.00 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.05 3ag4 h LEU 37 Cb 1.02 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.46 3ag4 h LEU 37 CO 0.15 0.72 0.05 0.44 0.09 0.00 0.00 178.44 179.89 3ag4 h ASP 38 N 1.23 -0.10 -0.71 -0.43 5.19 -1.84 -2.01 116.42 117.76 3ag4 h ASP 38 Ca 0.40 0.10 0.15 0.00 -0.62 0.00 0.00 57.03 57.06 3ag4 h ASP 38 Cb 0.04 0.16 -0.04 0.00 0.18 0.00 0.00 39.33 39.66 3ag4 h ASP 38 CO -0.14 -0.02 0.48 0.78 -3.12 0.00 0.00 179.24 177.22 3ag4 h ASN 39 N 0.17 0.32 -0.00 6.45 4.21 -1.66 -2.28 115.58 122.79 3ag4 h ASN 39 Ca 0.24 0.02 -0.00 0.00 1.21 0.00 0.00 56.30 57.76 3ag4 h ASN 39 Cb 0.34 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.49 3ag4 h ASN 39 CO -0.35 0.17 -0.00 1.88 -1.29 0.00 0.00 177.43 177.83 3ag4 h TYR 40 N 0.34 0.00 0.76 1.19 0.99 -1.17 -3.32 116.97 115.77 3ag4 h TYR 40 Ca 0.34 -0.00 -0.03 0.00 2.00 0.00 0.00 58.73 61.04 3ag4 h TYR 40 Cb 0.86 -0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.58 3ag4 h TYR 40 CO -0.00 0.62 -0.46 0.87 -0.00 0.00 0.00 178.16 179.19 3ag4 h LYS 41 N -0.62 -1.10 -3.79 4.88 1.57 -1.00 -3.07 116.57 113.45 3ag4 h LYS 41 Ca -0.00 0.07 -0.78 0.00 -1.87 0.00 0.00 60.65 58.07 3ag4 h LYS 41 Cb 0.62 0.25 -0.25 0.00 0.08 0.00 0.00 32.23 32.93 3ag4 h LYS 41 CO 0.00 -0.73 0.77 1.17 -0.57 0.00 0.00 179.45 180.09 3ag4 n LYS 42 N -5.60 3.60 0.00 3.15 3.00 -0.90 -5.12 118.16 116.29 3ag4 n LYS 42 Ca -0.14 -4.29 0.00 0.00 -0.00 0.00 0.00 58.31 53.88 3ag4 n LYS 42 Cb 0.48 -2.68 0.00 0.00 0.00 0.00 0.00 35.03 32.83 3ag4 n LYS 42 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83