#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aq5 h SER 2 N 0.00 0.00 -2.24 1.61 0.87 -2.08 -3.47 113.55 108.23 1aq5 h SER 2 Ca 0.00 -0.07 -0.54 0.00 -1.23 0.00 0.00 61.79 59.95 1aq5 h SER 2 Cb 0.00 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 61.88 1aq5 h SER 2 CO 0.00 0.65 -0.60 -1.00 -0.53 0.00 0.00 176.83 175.35 1aq5 s HIS 3 N -1.86 2.86 0.00 2.24 3.76 -1.26 -5.10 115.29 115.93 1aq5 s HIS 3 Ca -0.07 -0.17 0.00 0.00 -0.15 0.00 0.00 55.06 54.66 1aq5 s HIS 3 Cb 0.01 -1.28 0.00 0.00 1.11 0.00 0.00 32.58 32.42 1aq5 s HIS 3 CO 0.14 0.58 0.00 -1.33 -0.85 0.00 0.00 174.74 173.28 1aq5 n MET 4 N -0.95 0.00 0.00 1.40 0.00 -1.26 -5.07 117.12 111.23 1aq5 n MET 4 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.63 1aq5 n MET 4 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.80 1aq5 n MET 4 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1aq5 n GLU 5 N -0.37 0.00 -4.05 0.03 2.13 -1.26 -4.74 120.64 112.38 1aq5 n GLU 5 Ca 0.00 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.46 1aq5 n GLU 5 Cb 0.00 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.64 1aq5 n GLU 5 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1aq5 s GLU 6 N 0.00 3.27 -0.81 5.31 2.12 -1.26 -4.97 118.70 122.35 1aq5 s GLU 6 Ca 0.00 -0.25 -0.35 0.00 0.36 0.00 0.00 54.97 54.73 1aq5 s GLU 6 Cb 0.00 -3.04 -0.20 0.00 0.26 0.00 0.00 34.13 31.15 1aq5 s GLU 6 CO 0.00 0.74 2.51 -3.47 -0.54 0.00 0.00 175.26 174.50 1aq5 n ASP 7 N 1.91 0.57 0.00 -1.70 -0.08 -1.26 -4.81 116.55 111.18 1aq5 n ASP 7 Ca -0.19 0.31 -0.00 0.00 -1.51 0.00 0.00 54.79 53.40 1aq5 n ASP 7 Cb 0.54 -0.95 -0.00 0.00 2.34 0.00 0.00 41.12 43.05 1aq5 n ASP 7 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1aq5 h PRO 8 N 11.45 -0.01 -0.52 -0.67 0.13 -1.93 -3.42 132.00 137.02 1aq5 h PRO 8 Ca -0.08 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.70 1aq5 h PRO 8 Cb 1.34 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 32.08 1aq5 h PRO 8 CO 1.28 -0.01 -0.97 0.00 -0.23 0.00 0.00 178.00 178.07 1aq5 n GLU 10 N -0.61 -3.53 -0.33 0.00 1.02 -1.26 -4.76 120.64 111.18 1aq5 n GLU 10 Ca 0.22 0.42 0.32 0.00 -0.02 0.00 0.00 57.16 58.09 1aq5 n GLU 10 Cb 0.88 -4.87 0.68 0.00 -0.02 0.00 0.00 31.44 28.11 1aq5 n GLU 10 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1aq5 n LYS 12 N -4.33 6.39 0.08 0.00 4.76 -1.26 -4.46 118.16 119.33 1aq5 n LYS 12 Ca 0.26 -0.01 -0.10 0.00 -2.87 0.00 0.00 58.31 55.59 1aq5 n LYS 12 Cb 1.15 -0.58 -0.10 0.00 -1.84 0.00 0.00 35.03 33.66 1aq5 n LYS 12 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 1aq5 h SER 13 N 0.01 0.17 0.28 4.39 0.02 -1.57 -0.17 113.55 116.67 1aq5 h SER 13 Ca 0.00 -0.17 -0.32 0.00 -0.84 0.00 0.00 61.79 60.46 1aq5 h SER 13 Cb 0.03 -0.05 0.03 0.00 0.14 0.00 0.00 62.40 62.55 1aq5 h SER 13 CO 0.00 1.10 -1.38 0.40 -1.14 0.00 0.00 176.83 175.82 1aq5 h ILE 14 N 0.04 1.31 0.00 3.27 2.04 -1.59 -2.51 117.51 120.08 1aq5 h ILE 14 Ca -0.05 -2.68 0.00 0.00 1.00 0.00 0.00 64.86 63.13 1aq5 h ILE 14 Cb 1.78 2.92 0.00 0.00 -0.74 0.00 0.00 36.82 40.78 1aq5 h ILE 14 CO 0.15 0.80 -0.05 0.58 0.00 0.00 0.00 178.15 179.63 1aq5 h VAL 15 N 0.18 0.00 -0.21 1.67 2.07 -1.77 -2.35 116.25 115.85 1aq5 h VAL 15 Ca -0.22 -0.90 -0.21 0.00 0.82 0.00 0.00 66.70 66.19 1aq5 h VAL 15 Cb 2.07 1.87 0.01 0.00 -1.52 0.00 0.00 31.29 33.71 1aq5 h VAL 15 CO 0.26 0.00 -0.70 0.50 0.02 0.00 0.00 177.57 177.65 1aq5 h LYS 16 N 0.00 0.83 -0.05 1.57 3.11 -1.00 -2.53 116.57 118.50 1aq5 h LYS 16 Ca 0.00 -0.62 -0.09 0.00 -2.81 0.00 0.00 60.65 57.13 1aq5 h LYS 16 Cb 0.95 0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 32.28 1aq5 h LYS 16 CO 0.00 1.24 -0.39 0.35 -2.81 0.00 0.00 179.45 177.84 1aq5 h PHE 17 N 0.60 0.12 -0.66 1.91 3.04 -1.31 -2.75 116.94 117.88 1aq5 h PHE 17 Ca -0.03 -0.03 0.02 0.00 3.98 0.00 0.00 57.97 61.92 1aq5 h PHE 17 Cb 1.32 -0.03 -0.04 0.00 2.56 0.00 0.00 35.95 39.76 1aq5 h PHE 17 CO 0.08 0.48 0.42 1.96 -2.02 0.00 0.00 178.31 179.23 1aq5 h GLN 18 N 0.09 0.81 -0.73 1.11 4.20 -1.01 -0.76 115.11 118.80 1aq5 h GLN 18 Ca 0.01 -0.05 0.08 0.00 0.06 0.00 0.00 58.65 58.75 1aq5 h GLN 18 Cb 0.73 -0.18 -0.05 0.00 0.30 0.00 0.00 27.48 28.28 1aq5 h GLN 18 CO 0.05 0.53 0.48 1.15 -0.67 0.00 0.00 178.83 180.38 1aq5 h THR 19 N 0.83 0.97 -0.16 -0.54 2.02 -1.17 0.33 112.91 115.20 1aq5 h THR 19 Ca 0.26 -0.24 -0.07 0.00 0.77 0.00 0.00 66.41 67.13 1aq5 h THR 19 Cb -0.01 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 1aq5 h THR 19 CO -0.09 0.13 -0.23 0.11 0.37 0.00 0.00 175.52 175.81 1aq5 h LYS 20 N 0.69 0.27 0.00 6.66 1.79 -1.16 -0.86 116.57 123.97 1aq5 h LYS 20 Ca 0.33 -0.09 -0.01 0.00 -2.18 0.00 0.00 60.65 58.70 1aq5 h LYS 20 Cb 0.38 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.00 1aq5 h LYS 20 CO -0.12 0.49 -0.04 0.28 -1.08 0.00 0.00 179.45 178.98 1aq5 h VAL 21 N 0.25 0.08 -0.04 0.50 2.07 0.18 -2.08 116.25 117.21 1aq5 h VAL 21 Ca 0.04 -0.98 -0.05 0.00 0.82 0.00 0.00 66.70 66.53 1aq5 h VAL 21 Cb 0.54 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1aq5 h VAL 21 CO 0.04 0.04 -0.16 -0.33 0.02 0.00 0.00 177.57 177.18 1aq5 h GLU 22 N 0.00 0.19 -0.02 1.57 4.39 0.64 -1.39 114.58 119.97 1aq5 h GLU 22 Ca -0.00 -0.14 -0.16 0.00 0.34 0.00 0.00 59.36 59.39 1aq5 h GLU 22 Cb 0.91 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.57 1aq5 h GLU 22 CO 0.01 0.78 -0.73 0.93 -1.16 0.00 0.00 179.01 178.84 1aq5 h GLU 23 N -0.37 0.14 -0.23 2.33 5.08 -1.46 -2.73 114.58 117.34 1aq5 h GLU 23 Ca -0.01 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 1aq5 h GLU 23 Cb 0.81 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1aq5 h GLU 23 CO 0.03 0.81 -0.11 1.25 -1.00 0.00 0.00 179.01 179.99 1aq5 h LEU 24 N 0.09 0.49 -1.10 1.33 5.85 -1.41 -2.25 115.31 118.32 1aq5 h LEU 24 Ca -0.02 -0.41 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 1aq5 h LEU 24 Cb 1.29 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 1aq5 h LEU 24 CO 0.11 0.80 0.41 0.40 -0.34 0.00 0.00 178.44 179.81 1aq5 h ILE 25 N 0.19 1.22 -0.65 4.05 5.03 -1.25 -1.90 117.51 124.20 1aq5 h ILE 25 Ca 0.05 -0.55 -0.01 0.00 -0.12 0.00 0.00 64.86 64.23 1aq5 h ILE 25 Cb 0.61 0.21 -0.03 0.00 -3.03 0.00 0.00 36.82 34.59 1aq5 h ILE 25 CO 0.03 0.25 0.35 -1.13 -0.68 0.00 0.00 178.15 176.97 1aq5 h ASN 26 N 1.04 0.81 -0.23 1.72 -0.73 -1.32 -1.44 115.58 115.44 1aq5 h ASN 26 Ca 0.26 -0.10 -0.02 0.00 1.87 0.00 0.00 56.30 58.31 1aq5 h ASN 26 Cb 0.03 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 38.39 1aq5 h ASN 26 CO -0.04 0.68 0.09 0.74 -0.37 0.00 0.00 177.43 178.53 1aq5 h THR 27 N 0.88 1.14 -0.16 -3.57 2.02 -0.76 -0.43 112.91 112.03 1aq5 h THR 27 Ca 0.23 -0.46 -0.09 0.00 0.77 0.00 0.00 66.41 66.86 1aq5 h THR 27 Cb 0.05 0.82 -0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1aq5 h THR 27 CO -0.04 0.17 -0.24 -0.07 0.37 0.00 0.00 175.52 175.72 1aq5 h LEU 28 N 0.43 0.49 -0.64 2.58 3.38 -0.65 -1.80 115.31 119.09 1aq5 h LEU 28 Ca 0.10 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1aq5 h LEU 28 Cb 0.14 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1aq5 h LEU 28 CO -0.01 0.92 0.00 1.67 0.09 0.00 0.00 178.44 181.11 1aq5 n GLN 29 N -4.44 0.15 -0.07 1.13 7.27 -0.62 -1.48 117.38 119.32 1aq5 n GLN 29 Ca -0.06 0.42 -0.12 0.00 0.07 0.00 0.00 57.00 57.31 1aq5 n GLN 29 Cb 0.43 -1.80 -0.10 0.00 2.41 0.00 0.00 30.24 31.18 1aq5 n GLN 29 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 1aq5 h GLN 30 N 0.00 0.00 0.00 3.69 1.08 -0.61 -2.12 115.11 117.15 1aq5 h GLN 30 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1aq5 h GLN 30 Cb 0.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 1aq5 h GLN 30 CO 0.00 0.75 0.00 0.87 -0.95 0.00 0.00 178.83 179.50 1aq5 h LYS 31 N -1.00 0.00 0.07 1.46 1.57 -1.18 -1.66 116.57 115.83 1aq5 h LYS 31 Ca -0.06 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.57 1aq5 h LYS 31 Cb 0.83 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.14 1aq5 h LYS 31 CO -0.04 0.00 -0.77 1.25 -0.57 0.00 0.00 179.45 179.33 1aq5 h LEU 32 N 0.00 0.22 -1.01 2.94 5.85 -1.31 -0.69 115.31 121.31 1aq5 h LEU 32 Ca 0.00 -0.87 0.00 0.00 0.84 0.00 0.00 57.88 57.85 1aq5 h LEU 32 Cb 0.33 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1aq5 h LEU 32 CO 0.00 1.34 0.00 -0.08 -0.34 0.00 0.00 178.44 179.36 1aq5 h GLU 33 N -0.66 0.00 0.06 1.25 4.81 -1.14 -1.35 114.58 117.55 1aq5 h GLU 33 Ca -0.17 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.73 1aq5 h GLU 33 Cb 1.41 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.76 1aq5 h GLU 33 CO 0.02 0.00 -1.86 0.00 -0.73 0.00 0.00 179.01 176.44 1aq5 n ALA 34 N -1.88 1.21 -0.21 2.92 0.00 -0.64 -3.35 120.51 118.56 1aq5 n ALA 34 Ca 0.01 -0.70 -0.07 0.00 0.00 0.00 0.00 53.44 52.69 1aq5 n ALA 34 Cb 0.25 -0.75 0.07 0.00 0.00 0.00 0.00 19.45 19.02 1aq5 n ALA 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1aq5 h VAL 35 N 0.03 1.26 0.00 0.00 2.07 -0.56 -0.98 116.25 118.07 1aq5 h VAL 35 Ca -0.36 -1.02 -0.06 0.00 0.82 0.00 0.00 66.70 66.09 1aq5 h VAL 35 Cb 2.03 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 1aq5 h VAL 35 CO 0.08 0.38 -0.26 0.00 0.02 0.00 0.00 177.57 177.79 1aq5 h ALA 36 N 1.12 1.26 0.00 1.67 0.00 -1.39 -1.11 119.26 120.81 1aq5 h ALA 36 Ca 0.19 -0.24 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 1aq5 h ALA 36 Cb 0.43 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1aq5 h ALA 36 CO 0.01 0.33 -0.84 0.87 0.00 0.00 0.00 179.25 179.63 1aq5 h LYS 37 N 0.00 0.00 0.06 0.00 1.57 -1.33 -2.75 116.57 114.12 1aq5 h LYS 37 Ca -0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.54 1aq5 h LYS 37 Cb 0.58 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.89 1aq5 h LYS 37 CO 0.03 0.84 -1.06 0.00 -0.57 0.00 0.00 179.45 178.69 1aq5 h ARG 38 N 0.00 0.27 -0.31 3.15 3.08 -0.66 -2.31 114.38 117.60 1aq5 h ARG 38 Ca -0.01 -0.37 -0.02 0.00 0.07 0.00 0.00 59.98 59.65 1aq5 h ARG 38 Cb 1.59 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.75 1aq5 h ARG 38 CO 0.11 1.11 0.13 0.82 -1.07 0.00 0.00 179.97 181.07 1aq5 h ILE 39 N 0.12 1.18 -0.25 2.04 1.08 -1.22 -1.57 117.51 118.89 1aq5 h ILE 39 Ca -0.09 -0.54 -0.05 0.00 -0.39 0.00 0.00 64.86 63.79 1aq5 h ILE 39 Cb 1.75 0.95 -0.01 0.00 -3.07 0.00 0.00 36.82 36.44 1aq5 h ILE 39 CO 0.17 0.19 -0.06 1.05 -0.69 0.00 0.00 178.15 178.81 1aq5 h GLU 40 N 0.36 0.40 -0.92 2.37 4.11 -1.52 -0.65 114.58 118.73 1aq5 h GLU 40 Ca 0.10 -0.09 0.11 0.00 0.07 0.00 0.00 59.36 59.56 1aq5 h GLU 40 Cb 0.18 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.30 1aq5 h GLU 40 CO -0.01 0.48 0.59 0.00 0.07 0.00 0.00 179.01 180.14 1aq5 h ALA 41 N 1.56 1.65 -0.02 1.06 0.00 -0.71 0.19 119.26 122.99 1aq5 h ALA 41 Ca 0.08 0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.79 1aq5 h ALA 41 Cb 0.36 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1aq5 h ALA 41 CO 0.02 0.14 -0.88 -0.07 0.00 0.00 0.00 179.25 178.46 1aq5 h LEU 42 N 0.87 0.46 -1.12 0.00 -0.00 -0.55 -2.86 115.31 112.10 1aq5 h LEU 42 Ca 0.44 -0.35 0.00 0.00 -0.00 0.00 0.00 57.88 57.97 1aq5 h LEU 42 Cb 0.50 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.02 1aq5 h LEU 42 CO -0.21 1.14 0.00 -0.33 -0.00 0.00 0.00 178.44 179.04 1aq5 h GLU 43 N 0.21 0.00 0.00 1.13 5.08 0.58 0.19 114.58 121.77 1aq5 h GLU 43 Ca -0.06 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 1aq5 h GLU 43 Cb 1.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.74 1aq5 h GLU 43 CO 0.15 0.00 -0.41 -0.91 -1.00 0.00 0.00 179.01 176.83 1aq5 h ASN 44 N 0.00 0.00 -0.00 1.42 -0.26 -0.78 0.25 115.58 116.20 1aq5 h ASN 44 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1aq5 h ASN 44 Cb 0.22 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.48 1aq5 h ASN 44 CO 0.00 0.41 -0.36 0.29 -1.06 0.00 0.00 177.43 176.71 1aq5 n LYS 45 N -3.50 4.25 -0.00 0.81 4.01 -0.46 -4.50 118.16 118.76 1aq5 n LYS 45 Ca 0.00 -0.03 0.09 0.00 -0.51 0.00 0.00 58.31 57.85 1aq5 n LYS 45 Cb 0.55 -0.88 -0.12 0.00 -0.51 0.00 0.00 35.03 34.07 1aq5 n LYS 45 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 1aq5 n ILE 46 N -1.13 0.00 0.00 -0.18 2.08 0.55 -5.13 119.36 115.55 1aq5 n ILE 46 Ca 0.02 -0.26 0.00 0.00 0.56 0.00 0.00 62.75 63.07 1aq5 n ILE 46 Cb 0.13 0.52 0.00 0.00 -0.75 0.00 0.00 39.64 39.54 1aq5 n ILE 46 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11