#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aq5 s SER 2 N 0.00 -0.68 0.40 1.61 0.15 -1.26 -5.18 113.70 108.75 1aq5 s SER 2 Ca 0.00 1.10 0.07 0.00 0.70 0.00 0.00 55.95 57.82 1aq5 s SER 2 Cb 0.00 1.26 -0.06 0.00 -1.71 0.00 0.00 66.02 65.51 1aq5 s SER 2 CO 0.00 -0.18 0.10 -2.28 1.20 0.00 0.00 173.24 172.08 1aq5 s HIS 3 N 1.35 2.57 0.71 3.44 5.04 -1.26 -5.15 115.29 121.98 1aq5 s HIS 3 Ca -0.08 -0.59 0.02 0.00 -1.54 0.00 0.00 55.06 52.86 1aq5 s HIS 3 Cb -0.04 -1.83 0.13 0.00 0.04 0.00 0.00 32.58 30.88 1aq5 s HIS 3 CO -0.16 0.32 0.97 1.41 -2.34 0.00 0.00 174.74 174.94 1aq5 s MET 4 N -3.81 1.72 0.78 2.88 0.00 -1.26 -4.97 119.30 114.64 1aq5 s MET 4 Ca 0.38 -1.31 0.00 0.00 0.00 0.00 0.00 55.69 54.76 1aq5 s MET 4 Cb 0.05 -2.40 0.00 0.00 0.00 0.00 0.00 34.83 32.49 1aq5 s MET 4 CO 0.21 -1.39 0.00 -1.91 0.00 0.00 0.00 175.02 171.92 1aq5 n GLU 5 N -2.74 -1.18 -0.96 4.11 2.13 -1.26 -4.73 120.64 116.00 1aq5 n GLU 5 Ca 0.16 0.78 -0.28 0.00 0.66 0.00 0.00 57.16 58.48 1aq5 n GLU 5 Cb 0.61 -1.44 0.20 0.00 0.27 0.00 0.00 31.44 31.08 1aq5 n GLU 5 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 1aq5 s GLU 6 N -1.05 -0.06 -0.30 5.31 -1.05 -1.26 -5.02 118.70 115.27 1aq5 s GLU 6 Ca 0.00 0.61 -0.06 0.00 -0.15 0.00 0.00 54.97 55.37 1aq5 s GLU 6 Cb 0.00 -1.67 0.26 0.00 -0.44 0.00 0.00 34.13 32.28 1aq5 s GLU 6 CO 0.00 -3.09 1.26 -3.47 0.95 0.00 0.00 175.26 170.91 1aq5 n ASP 7 N -4.44 -1.01 0.11 0.83 -0.08 -1.26 -5.02 116.55 105.67 1aq5 n ASP 7 Ca 0.04 -1.16 -0.06 0.00 -1.51 0.00 0.00 54.79 52.10 1aq5 n ASP 7 Cb 0.56 0.51 -0.03 0.00 2.34 0.00 0.00 41.12 44.50 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 3.35 -0.35 -0.66 -0.67 0.13 -2.01 -3.39 132.00 128.40 1aq5 h PRO 8 Ca -0.17 0.02 -0.47 0.00 -0.87 0.00 0.00 66.00 64.52 1aq5 h PRO 8 Cb 1.22 0.08 -0.42 0.00 0.13 0.00 0.00 31.00 32.01 1aq5 h PRO 8 CO -0.23 -0.22 -0.89 0.00 -0.23 0.00 0.00 178.00 176.43 1aq5 n GLU 10 N -0.69 -1.17 -0.53 0.00 4.71 -1.26 -4.69 120.64 117.01 1aq5 n GLU 10 Ca 0.35 0.17 0.45 0.00 -0.01 0.00 0.00 57.16 58.12 1aq5 n GLU 10 Cb 0.93 -4.56 0.78 0.00 -1.01 0.00 0.00 31.44 27.58 1aq5 n GLU 10 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1aq5 n LYS 12 N -4.09 5.83 0.12 0.00 4.01 -1.26 -4.56 118.16 118.22 1aq5 n LYS 12 Ca 0.36 -0.00 -0.01 0.00 -0.51 0.00 0.00 58.31 58.15 1aq5 n LYS 12 Cb 1.65 -0.42 0.08 0.00 -0.51 0.00 0.00 35.03 35.82 1aq5 n LYS 12 CO 0.00 0.00 0.00 0.77 -1.11 0.00 0.00 177.40 177.06 1aq5 h SER 13 N 0.00 0.00 0.62 4.39 0.02 -1.38 -0.61 113.55 116.59 1aq5 h SER 13 Ca 0.00 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.67 1aq5 h SER 13 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1aq5 h SER 13 CO 0.00 0.66 -1.36 0.40 -1.14 0.00 0.00 176.83 175.39 1aq5 h ILE 14 N 0.00 1.33 0.00 3.27 2.04 -1.67 -2.60 117.51 119.88 1aq5 h ILE 14 Ca -0.01 -2.99 0.00 0.00 1.00 0.00 0.00 64.86 62.86 1aq5 h ILE 14 Cb 1.34 2.79 0.00 0.00 -0.74 0.00 0.00 36.82 40.21 1aq5 h ILE 14 CO 0.09 0.84 -0.11 0.58 0.00 0.00 0.00 178.15 179.54 1aq5 h VAL 15 N 0.05 0.00 0.01 1.67 2.07 -1.77 -2.39 116.25 115.89 1aq5 h VAL 15 Ca -0.17 -0.96 -0.22 0.00 0.82 0.00 0.00 66.70 66.18 1aq5 h VAL 15 Cb 1.95 1.90 0.02 0.00 -1.52 0.00 0.00 31.29 33.64 1aq5 h VAL 15 CO 0.16 0.00 -0.85 0.50 0.02 0.00 0.00 177.57 177.39 1aq5 h LYS 16 N 0.00 0.56 -0.24 1.57 3.11 -1.11 -2.68 116.57 117.78 1aq5 h LYS 16 Ca 0.00 -0.61 -0.03 0.00 -2.81 0.00 0.00 60.65 57.19 1aq5 h LYS 16 Cb 0.98 0.18 -0.01 0.00 -1.00 0.00 0.00 32.23 32.37 1aq5 h LYS 16 CO 0.00 1.23 -0.01 0.35 -2.81 0.00 0.00 179.45 178.21 1aq5 h PHE 17 N 0.14 0.36 -0.51 1.91 3.04 -1.41 -1.93 116.94 118.54 1aq5 h PHE 17 Ca -0.11 -0.02 0.01 0.00 3.98 0.00 0.00 57.97 61.83 1aq5 h PHE 17 Cb 1.54 -0.11 -0.03 0.00 2.56 0.00 0.00 35.95 39.91 1aq5 h PHE 17 CO 0.13 0.38 0.33 1.96 -2.02 0.00 0.00 178.31 179.08 1aq5 h GLN 18 N 0.35 0.64 -0.60 1.11 4.20 -1.21 -1.05 115.11 118.55 1aq5 h GLN 18 Ca 0.08 -0.04 0.09 0.00 0.06 0.00 0.00 58.65 58.84 1aq5 h GLN 18 Cb 0.24 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.84 1aq5 h GLN 18 CO 0.01 0.43 0.40 1.15 -0.67 0.00 0.00 178.83 180.14 1aq5 h THR 19 N 0.66 0.93 -0.13 -0.54 2.02 -1.02 0.27 112.91 115.11 1aq5 h THR 19 Ca 0.20 -0.16 -0.09 0.00 0.77 0.00 0.00 66.41 67.12 1aq5 h THR 19 Cb -0.04 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 1aq5 h THR 19 CO -0.06 0.09 -0.33 0.11 0.37 0.00 0.00 175.52 175.69 1aq5 h LYS 20 N 0.47 0.25 0.00 6.66 1.79 -1.05 -1.36 116.57 123.33 1aq5 h LYS 20 Ca 0.27 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1aq5 h LYS 20 Cb 0.46 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1aq5 h LYS 20 CO -0.08 0.56 0.00 0.28 -1.08 0.00 0.00 179.45 179.13 1aq5 h VAL 21 N 0.22 0.00 -0.01 0.50 2.07 -0.01 -2.55 116.25 116.47 1aq5 h VAL 21 Ca 0.03 -0.68 -0.12 0.00 0.82 0.00 0.00 66.70 66.75 1aq5 h VAL 21 Cb 0.70 1.67 0.01 0.00 -1.52 0.00 0.00 31.29 32.15 1aq5 h VAL 21 CO 0.05 0.00 -0.46 -0.33 0.02 0.00 0.00 177.57 176.85 1aq5 h GLU 22 N 0.00 0.32 -0.01 1.57 5.08 0.22 -1.61 114.58 120.16 1aq5 h GLU 22 Ca 0.00 -0.34 -0.17 0.00 -1.00 0.00 0.00 59.36 57.85 1aq5 h GLU 22 Cb 0.83 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 1aq5 h GLU 22 CO 0.00 1.03 -0.75 1.05 -1.00 0.00 0.00 179.01 179.33 1aq5 h GLU 23 N -0.24 0.10 -0.10 2.33 4.11 -1.50 -2.77 114.58 116.51 1aq5 h GLU 23 Ca -0.06 -0.10 -0.03 0.00 0.07 0.00 0.00 59.36 59.24 1aq5 h GLU 23 Cb 1.19 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 1aq5 h GLU 23 CO 0.09 0.81 -0.07 1.25 0.07 0.00 0.00 179.01 181.16 1aq5 h LEU 24 N 0.07 0.24 -1.12 3.06 7.12 -1.50 -2.10 115.31 121.07 1aq5 h LEU 24 Ca -0.02 -0.44 0.05 0.00 0.13 0.00 0.00 57.88 57.60 1aq5 h LEU 24 Cb 1.33 -0.07 -0.06 0.00 -0.53 0.00 0.00 40.66 41.33 1aq5 h LEU 24 CO 0.11 0.63 0.60 0.40 -0.13 0.00 0.00 178.44 180.05 1aq5 h ILE 25 N -0.15 1.10 -0.68 4.05 5.03 -1.30 -1.20 117.51 124.36 1aq5 h ILE 25 Ca 0.02 -0.37 -0.07 0.00 -0.12 0.00 0.00 64.86 64.32 1aq5 h ILE 25 Cb 0.55 -0.08 -0.03 0.00 -3.03 0.00 0.00 36.82 34.23 1aq5 h ILE 25 CO 0.02 0.20 0.16 -1.13 -0.68 0.00 0.00 178.15 176.72 1aq5 h ASN 26 N 1.09 1.03 0.16 1.72 -0.73 -1.36 -1.91 115.58 115.58 1aq5 h ASN 26 Ca 0.38 -0.24 -0.05 0.00 1.87 0.00 0.00 56.30 58.27 1aq5 h ASN 26 Cb 0.12 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 38.43 1aq5 h ASN 26 CO -0.13 1.00 -0.19 0.74 -0.37 0.00 0.00 177.43 178.48 1aq5 h THR 27 N 1.01 1.16 -0.10 -3.57 2.02 -0.55 -0.75 112.91 112.13 1aq5 h THR 27 Ca 0.21 -0.74 -0.11 0.00 0.77 0.00 0.00 66.41 66.55 1aq5 h THR 27 Cb 0.38 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 1aq5 h THR 27 CO 0.00 0.22 -0.35 -0.07 0.37 0.00 0.00 175.52 175.69 1aq5 h LEU 28 N 0.06 0.49 -0.62 2.58 3.38 -0.72 -1.65 115.31 118.83 1aq5 h LEU 28 Ca 0.01 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1aq5 h LEU 28 Cb 0.37 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1aq5 h LEU 28 CO 0.03 1.02 0.00 1.67 0.09 0.00 0.00 178.44 181.24 1aq5 n GLN 29 N -4.37 0.15 -0.07 1.13 7.27 -0.77 -1.37 117.38 119.34 1aq5 n GLN 29 Ca -0.08 0.41 -0.10 0.00 0.07 0.00 0.00 57.00 57.30 1aq5 n GLN 29 Cb 0.51 -1.80 -0.08 0.00 2.41 0.00 0.00 30.24 31.28 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 -0.81 -2.26 115.11 116.81 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 0.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 1aq5 h GLN 30 CO 0.00 0.60 0.00 1.63 -0.95 0.00 0.00 178.83 180.11 1aq5 n LYS 31 N -4.62 0.10 -0.09 1.46 4.76 -0.65 -1.81 118.16 117.30 1aq5 n LYS 31 Ca -0.11 0.42 -0.19 0.00 -2.87 0.00 0.00 58.31 55.56 1aq5 n LYS 31 Cb 0.36 -1.73 -0.12 0.00 -1.84 0.00 0.00 35.03 31.70 1aq5 n LYS 31 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1aq5 h LEU 32 N 0.00 0.00 -1.67 -0.35 5.85 -1.27 -1.70 115.31 116.17 1aq5 h LEU 32 Ca 0.00 -0.68 -0.04 0.00 0.84 0.00 0.00 57.88 58.00 1aq5 h LEU 32 Cb 0.22 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1aq5 h LEU 32 CO 0.00 1.30 -0.19 1.05 -0.34 0.00 0.00 178.44 180.27 1aq5 h GLU 33 N -1.00 0.00 0.11 1.25 4.11 -1.20 -1.24 114.58 116.62 1aq5 h GLU 33 Ca -0.22 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 58.95 1aq5 h GLU 33 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1aq5 h GLU 33 CO -0.13 0.19 -1.20 0.00 0.07 0.00 0.00 179.01 177.94 1aq5 h ALA 34 N 1.81 0.14 -0.61 1.06 0.00 -1.48 -2.79 119.26 117.39 1aq5 h ALA 34 Ca -0.00 -0.86 0.01 0.00 0.00 0.00 0.00 54.91 54.06 1aq5 h ALA 34 Cb 0.35 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1aq5 h ALA 34 CO 0.02 0.95 0.40 0.28 0.00 0.00 0.00 179.25 180.90 1aq5 h VAL 35 N 0.09 1.14 -0.15 0.00 2.07 -0.30 0.07 116.25 119.17 1aq5 h VAL 35 Ca -0.13 -0.28 -0.08 0.00 0.82 0.00 0.00 66.70 67.04 1aq5 h VAL 35 Cb 1.91 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1aq5 h VAL 35 CO 0.20 0.15 -0.26 0.00 0.02 0.00 0.00 177.57 177.67 1aq5 h ALA 36 N 1.23 1.27 0.00 1.67 0.00 -1.29 -1.71 119.26 120.44 1aq5 h ALA 36 Ca 0.23 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1aq5 h ALA 36 Cb -0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1aq5 h ALA 36 CO -0.06 0.49 -0.37 0.87 0.00 0.00 0.00 179.25 180.18 1aq5 h LYS 37 N 0.25 0.00 -0.01 0.00 1.57 -0.92 -2.05 116.57 115.41 1aq5 h LYS 37 Ca 0.04 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.72 1aq5 h LYS 37 Cb 0.60 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.92 1aq5 h LYS 37 CO 0.04 0.37 -0.37 0.00 -0.57 0.00 0.00 179.45 178.92 1aq5 h ARG 38 N 0.00 0.27 -0.93 3.15 2.47 -0.22 -2.36 114.38 116.75 1aq5 h ARG 38 Ca -0.00 -0.28 0.07 0.00 -1.26 0.00 0.00 59.98 58.51 1aq5 h ARG 38 Cb 0.75 0.07 -0.06 0.00 -1.65 0.00 0.00 29.97 29.08 1aq5 h ARG 38 CO 0.05 0.97 0.60 0.82 0.56 0.00 0.00 179.97 182.98 1aq5 h ILE 39 N -0.33 1.06 -0.37 2.04 2.04 -1.21 0.31 117.51 121.05 1aq5 h ILE 39 Ca -0.04 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.41 1aq5 h ILE 39 Cb 1.10 -0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1aq5 h ILE 39 CO 0.07 0.19 0.03 -0.33 0.00 0.00 0.00 178.15 178.12 1aq5 h GLU 40 N 1.06 0.57 -0.87 2.37 4.39 -1.35 -0.43 114.58 120.32 1aq5 h GLU 40 Ca 0.40 -0.12 0.09 0.00 0.34 0.00 0.00 59.36 60.08 1aq5 h GLU 40 Cb 0.21 -0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 28.71 1aq5 h GLU 40 CO -0.16 0.57 0.56 0.00 -1.16 0.00 0.00 179.01 178.83 1aq5 h ALA 41 N 1.49 1.65 0.01 3.43 0.00 0.16 0.17 119.26 126.16 1aq5 h ALA 41 Ca 0.12 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 1aq5 h ALA 41 Cb 0.30 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1aq5 h ALA 41 CO 0.01 0.18 -0.88 -0.07 0.00 0.00 0.00 179.25 178.49 1aq5 h LEU 42 N 0.87 0.15 -0.86 0.00 -0.00 -0.68 -2.88 115.31 111.91 1aq5 h LEU 42 Ca 0.40 -0.13 0.00 0.00 -0.00 0.00 0.00 57.88 58.15 1aq5 h LEU 42 Cb 0.39 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.00 1aq5 h LEU 42 CO -0.17 0.96 0.00 -0.33 -0.00 0.00 0.00 178.44 178.90 1aq5 h GLU 43 N 0.06 0.00 0.00 1.13 5.08 0.78 0.14 114.58 121.77 1aq5 h GLU 43 Ca -0.03 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1aq5 h GLU 43 Cb 1.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.77 1aq5 h GLU 43 CO 0.13 0.00 -0.20 -0.91 -1.00 0.00 0.00 179.01 177.03 1aq5 h ASN 44 N 0.00 0.00 0.00 1.42 -0.26 -0.73 -0.15 115.58 115.86 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 0.37 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.63 1aq5 h ASN 44 CO 0.00 0.20 -0.81 0.29 -1.06 0.00 0.00 177.43 176.05 1aq5 n LYS 45 N -3.24 2.59 0.03 0.81 4.01 -0.66 -4.47 118.16 117.23 1aq5 n LYS 45 Ca 0.01 -0.03 0.11 0.00 -0.51 0.00 0.00 58.31 57.89 1aq5 n LYS 45 Cb 0.50 -1.04 -0.10 0.00 -0.51 0.00 0.00 35.03 33.88 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 -1.44 0.19 0.28 -0.18 2.08 0.41 -5.13 119.36 115.57 1aq5 n ILE 46 Ca 0.00 -0.46 0.02 0.00 0.56 0.00 0.00 62.75 62.87 1aq5 n ILE 46 Cb 0.18 -0.03 0.13 0.00 -0.75 0.00 0.00 39.64 39.18 1aq5 n ILE 46 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11