#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aq5 n SER 2 N 0.00 -0.69 -0.24 1.61 3.41 -1.26 -5.12 113.62 111.33 1aq5 n SER 2 Ca 0.00 -1.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.71 1aq5 n SER 2 Cb 0.00 1.28 0.00 0.00 -0.26 0.00 0.00 64.21 65.23 1aq5 n SER 2 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1aq5 n HIS 3 N -0.28 -0.98 -2.69 7.33 -0.00 -1.26 -4.94 115.22 112.40 1aq5 n HIS 3 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1aq5 n HIS 3 Cb 0.28 0.13 0.00 0.00 -0.00 0.00 0.00 29.99 30.40 1aq5 n HIS 3 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 1aq5 n MET 4 N -0.48 1.32 -0.26 -0.41 0.00 -1.26 -5.04 117.12 110.99 1aq5 n MET 4 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 57.70 57.79 1aq5 n MET 4 Cb 0.00 0.00 0.23 0.00 0.00 0.00 0.00 33.22 33.45 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 0.00 2.70 -4.08 2.12 4.07 -1.26 -4.99 120.64 119.19 1aq5 n GLU 5 Ca 0.00 -2.32 -0.14 0.00 -0.06 0.00 0.00 57.16 54.64 1aq5 n GLU 5 Cb 0.00 -1.42 -0.04 0.00 -0.06 0.00 0.00 31.44 29.91 1aq5 n GLU 5 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 1aq5 s GLU 6 N -1.04 1.88 -1.05 5.31 -1.05 -1.26 -4.97 118.70 116.53 1aq5 s GLU 6 Ca 0.36 -1.72 -0.16 0.00 -0.15 0.00 0.00 54.97 53.30 1aq5 s GLU 6 Cb 0.19 0.44 -0.01 0.00 -0.44 0.00 0.00 34.13 34.32 1aq5 s GLU 6 CO 0.25 -0.78 0.76 -3.47 0.95 0.00 0.00 175.26 172.97 1aq5 n ASP 7 N -1.32 -5.57 -0.02 0.83 2.03 -1.26 -4.94 116.55 106.30 1aq5 n ASP 7 Ca 0.01 -0.90 -0.01 0.00 0.52 0.00 0.00 54.79 54.41 1aq5 n ASP 7 Cb 0.62 -3.36 -0.00 0.00 -0.72 0.00 0.00 41.12 37.66 1aq5 n ASP 7 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1aq5 h PRO 8 N -1.40 -0.04 -0.90 -0.67 0.13 -1.95 -3.37 132.00 123.80 1aq5 h PRO 8 Ca -0.58 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.18 1aq5 h PRO 8 Cb 1.32 0.01 -0.22 0.00 0.13 0.00 0.00 31.00 32.24 1aq5 h PRO 8 CO 0.44 -0.02 0.47 0.00 -0.23 0.00 0.00 178.00 178.66 1aq5 n GLU 10 N -0.65 -1.01 -0.46 0.00 4.71 -1.26 -4.69 120.64 117.28 1aq5 n GLU 10 Ca 0.49 0.12 0.38 0.00 -0.01 0.00 0.00 57.16 58.14 1aq5 n GLU 10 Cb 1.50 -3.44 0.67 0.00 -1.01 0.00 0.00 31.44 29.16 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 -4.54 4.37 0.10 0.00 4.76 -1.26 -4.52 118.16 117.06 1aq5 n LYS 12 Ca 0.37 -0.11 -0.16 0.00 -2.87 0.00 0.00 58.31 55.54 1aq5 n LYS 12 Cb 1.46 -0.55 -0.14 0.00 -1.84 0.00 0.00 35.03 33.96 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 0.00 0.43 0.20 4.39 0.02 -1.45 -0.12 113.55 117.03 1aq5 h SER 13 Ca 0.00 -0.46 -0.30 0.00 -0.84 0.00 0.00 61.79 60.19 1aq5 h SER 13 Cb 0.02 -0.14 0.03 0.00 0.14 0.00 0.00 62.40 62.44 1aq5 h SER 13 CO 0.00 1.36 -1.29 0.40 -1.14 0.00 0.00 176.83 176.16 1aq5 h ILE 14 N 0.08 1.30 0.00 3.27 2.04 -1.63 -2.47 117.51 120.10 1aq5 h ILE 14 Ca -0.13 -2.55 0.00 0.00 1.00 0.00 0.00 64.86 63.17 1aq5 h ILE 14 Cb 1.97 2.77 0.00 0.00 -0.74 0.00 0.00 36.82 40.82 1aq5 h ILE 14 CO 0.20 0.77 0.00 0.58 0.00 0.00 0.00 178.15 179.71 1aq5 h VAL 15 N 0.24 0.00 -0.14 1.67 2.07 -1.74 -1.52 116.25 116.82 1aq5 h VAL 15 Ca -0.20 -0.73 -0.18 0.00 0.82 0.00 0.00 66.70 66.41 1aq5 h VAL 15 Cb 1.96 1.72 0.01 0.00 -1.52 0.00 0.00 31.29 33.46 1aq5 h VAL 15 CO 0.24 0.00 -0.62 0.50 0.02 0.00 0.00 177.57 177.71 1aq5 h LYS 16 N 0.00 0.67 -0.02 1.57 1.63 -0.93 -2.65 116.57 116.84 1aq5 h LYS 16 Ca 0.00 -0.53 -0.12 0.00 -0.85 0.00 0.00 60.65 59.14 1aq5 h LYS 16 Cb 0.84 0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.56 1aq5 h LYS 16 CO 0.00 1.15 -0.57 0.35 -3.45 0.00 0.00 179.45 176.93 1aq5 h PHE 17 N 0.35 0.06 -0.81 1.91 3.04 -1.28 -2.96 116.94 117.24 1aq5 h PHE 17 Ca -0.04 -0.02 0.02 0.00 3.98 0.00 0.00 57.97 61.91 1aq5 h PHE 17 Cb 1.26 -0.01 -0.04 0.00 2.56 0.00 0.00 35.95 39.71 1aq5 h PHE 17 CO 0.10 0.60 0.53 1.96 -2.02 0.00 0.00 178.31 179.48 1aq5 h GLN 18 N 0.04 1.02 -0.61 1.11 4.20 -1.07 -0.82 115.11 118.98 1aq5 h GLN 18 Ca -0.00 -0.06 0.07 0.00 0.06 0.00 0.00 58.65 58.72 1aq5 h GLN 18 Cb 1.02 -0.23 -0.04 0.00 0.30 0.00 0.00 27.48 28.53 1aq5 h GLN 18 CO 0.08 0.68 0.41 1.15 -0.67 0.00 0.00 178.83 180.47 1aq5 h THR 19 N 1.05 0.96 -0.06 -0.54 2.02 -1.30 0.34 112.91 115.40 1aq5 h THR 19 Ca 0.31 -0.19 -0.10 0.00 0.77 0.00 0.00 66.41 67.21 1aq5 h THR 19 Cb -0.05 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 1aq5 h THR 19 CO -0.09 0.10 -0.43 0.11 0.37 0.00 0.00 175.52 175.58 1aq5 h LYS 20 N 0.54 0.12 0.00 6.66 1.57 -1.21 -1.35 116.57 122.91 1aq5 h LYS 20 Ca 0.27 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1aq5 h LYS 20 Cb 0.37 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1aq5 h LYS 20 CO -0.08 0.54 0.00 0.28 -0.57 0.00 0.00 179.45 179.62 1aq5 h VAL 21 N 0.10 0.00 -0.03 0.50 2.07 0.11 -1.69 116.25 117.31 1aq5 h VAL 21 Ca 0.01 -0.83 -0.12 0.00 0.82 0.00 0.00 66.70 66.57 1aq5 h VAL 21 Cb 0.81 1.83 0.01 0.00 -1.52 0.00 0.00 31.29 32.41 1aq5 h VAL 21 CO 0.06 0.00 -0.45 -0.33 0.02 0.00 0.00 177.57 176.87 1aq5 h GLU 22 N 0.00 0.36 0.12 1.57 5.08 0.42 -1.90 114.58 120.22 1aq5 h GLU 22 Ca 0.00 -0.35 -0.27 0.00 -1.00 0.00 0.00 59.36 57.74 1aq5 h GLU 22 Cb 0.86 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1aq5 h GLU 22 CO 0.00 1.01 -1.23 0.93 -1.00 0.00 0.00 179.01 178.72 1aq5 h GLU 23 N -0.16 0.24 -0.21 2.33 5.08 -1.47 -2.78 114.58 117.61 1aq5 h GLU 23 Ca -0.05 -0.42 -0.04 0.00 -1.00 0.00 0.00 59.36 57.86 1aq5 h GLU 23 Cb 1.15 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 1aq5 h GLU 23 CO 0.09 1.20 -0.01 1.25 -1.00 0.00 0.00 179.01 180.53 1aq5 h LEU 24 N 0.07 0.38 -0.54 1.33 7.12 -1.40 -1.29 115.31 120.97 1aq5 h LEU 24 Ca -0.13 -0.32 -0.02 0.00 0.13 0.00 0.00 57.88 57.54 1aq5 h LEU 24 Cb 1.96 -0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 41.96 1aq5 h LEU 24 CO 0.20 0.61 0.27 -0.29 -0.13 0.00 0.00 178.44 179.10 1aq5 h ILE 25 N 0.13 1.20 -0.89 4.05 2.10 -1.43 -1.46 117.51 121.21 1aq5 h ILE 25 Ca 0.06 -0.54 0.02 0.00 1.08 0.00 0.00 64.86 65.48 1aq5 h ILE 25 Cb 0.42 0.55 -0.05 0.00 -1.09 0.00 0.00 36.82 36.66 1aq5 h ILE 25 CO 0.01 0.22 0.58 -1.13 -1.08 0.00 0.00 178.15 176.76 1aq5 h ASN 26 N 0.73 0.98 0.16 2.19 -0.73 -1.37 -0.30 115.58 117.23 1aq5 h ASN 26 Ca 0.19 -0.02 -0.07 0.00 1.87 0.00 0.00 56.30 58.28 1aq5 h ASN 26 Cb 0.10 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.44 1aq5 h ASN 26 CO -0.03 0.69 -0.24 0.74 -0.37 0.00 0.00 177.43 178.22 1aq5 h THR 27 N 1.15 1.22 -0.18 -3.57 2.02 -0.53 -1.02 112.91 112.00 1aq5 h THR 27 Ca 0.34 -1.01 -0.08 0.00 0.77 0.00 0.00 66.41 66.43 1aq5 h THR 27 Cb -0.04 1.42 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1aq5 h THR 27 CO -0.09 0.30 -0.21 -0.07 0.37 0.00 0.00 175.52 175.82 1aq5 h LEU 28 N 0.14 0.49 -1.23 2.58 3.38 -0.06 -1.65 115.31 118.96 1aq5 h LEU 28 Ca 0.02 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1aq5 h LEU 28 Cb 0.51 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1aq5 h LEU 28 CO 0.04 0.89 0.00 -0.61 0.09 0.00 0.00 178.44 178.85 1aq5 h GLN 29 N 0.11 0.00 0.03 1.13 -0.00 -1.05 -1.48 115.11 113.84 1aq5 h GLN 29 Ca 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.67 1aq5 h GLN 29 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.25 1aq5 h GLN 29 CO 0.05 0.00 -0.02 1.96 0.00 0.00 0.00 178.83 180.83 1aq5 h GLN 30 N 0.00 -0.04 0.00 1.69 1.08 -0.71 -1.83 115.11 115.29 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 0.35 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 1aq5 h GLN 30 CO 0.00 0.58 0.00 0.87 -0.95 0.00 0.00 178.83 179.33 1aq5 h LYS 31 N -0.95 0.00 0.09 1.46 1.57 -1.15 -1.80 116.57 115.80 1aq5 h LYS 31 Ca -0.00 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 1aq5 h LYS 31 Cb 0.64 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.96 1aq5 h LYS 31 CO 0.01 0.00 -0.78 1.25 -0.57 0.00 0.00 179.45 179.35 1aq5 h LEU 32 N 0.00 0.31 -1.00 2.94 5.85 -1.27 -0.78 115.31 121.36 1aq5 h LEU 32 Ca 0.00 -0.91 0.00 0.00 0.84 0.00 0.00 57.88 57.81 1aq5 h LEU 32 Cb 0.28 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1aq5 h LEU 32 CO 0.00 1.36 0.00 -0.08 -0.34 0.00 0.00 178.44 179.38 1aq5 h GLU 33 N -0.55 0.00 0.06 1.25 4.57 -0.97 -1.70 114.58 117.25 1aq5 h GLU 33 Ca -0.16 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.69 1aq5 h GLU 33 Cb 1.50 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 30.05 1aq5 h GLU 33 CO 0.07 0.00 -1.86 0.00 -1.18 0.00 0.00 179.01 176.05 1aq5 n ALA 34 N -1.88 1.19 -0.21 2.92 0.00 -0.71 -3.42 120.51 118.40 1aq5 n ALA 34 Ca 0.01 -0.68 -0.03 0.00 0.00 0.00 0.00 53.44 52.74 1aq5 n ALA 34 Cb 0.25 -0.77 0.16 0.00 0.00 0.00 0.00 19.45 19.09 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 0.04 1.23 0.00 0.00 2.07 -0.55 -0.68 116.25 118.36 1aq5 h VAL 35 Ca -0.36 -0.72 -0.07 0.00 0.82 0.00 0.00 66.70 66.38 1aq5 h VAL 35 Cb 2.03 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 1aq5 h VAL 35 CO 0.08 0.29 -0.31 0.00 0.02 0.00 0.00 177.57 177.66 1aq5 h ALA 36 N 1.32 1.24 -0.03 1.67 0.00 -1.44 -1.17 119.26 120.86 1aq5 h ALA 36 Ca 0.23 -0.28 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 1aq5 h ALA 36 Cb 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1aq5 h ALA 36 CO -0.02 0.39 -0.76 0.87 0.00 0.00 0.00 179.25 179.72 1aq5 h LYS 37 N 0.00 0.21 -0.07 0.00 1.57 -1.19 -2.56 116.57 114.53 1aq5 h LYS 37 Ca -0.00 -0.19 -0.23 0.00 -1.87 0.00 0.00 60.65 58.36 1aq5 h LYS 37 Cb 0.65 0.05 0.01 0.00 0.08 0.00 0.00 32.23 33.02 1aq5 h LYS 37 CO 0.04 0.88 -0.86 0.00 -0.57 0.00 0.00 179.45 178.93 1aq5 h ARG 38 N 0.14 0.62 -0.83 3.15 2.47 -0.74 -2.38 114.38 116.80 1aq5 h ARG 38 Ca -0.03 -0.57 0.02 0.00 -1.26 0.00 0.00 59.98 58.15 1aq5 h ARG 38 Cb 1.34 0.14 -0.05 0.00 -1.65 0.00 0.00 29.97 29.75 1aq5 h ARG 38 CO 0.12 1.19 0.54 0.82 0.56 0.00 0.00 179.97 183.19 1aq5 h ILE 39 N 0.39 1.16 -0.21 2.04 1.08 -1.17 0.31 117.51 121.12 1aq5 h ILE 39 Ca -0.07 -0.37 -0.07 0.00 -0.39 0.00 0.00 64.86 63.96 1aq5 h ILE 39 Cb 1.49 -0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 35.22 1aq5 h ILE 39 CO 0.16 0.20 -0.17 -0.33 -0.69 0.00 0.00 178.15 177.32 1aq5 h GLU 40 N 1.07 0.36 -0.54 2.37 4.39 -1.38 0.11 114.58 120.96 1aq5 h GLU 40 Ca 0.32 -0.10 0.05 0.00 0.34 0.00 0.00 59.36 59.97 1aq5 h GLU 40 Cb -0.04 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 1aq5 h GLU 40 CO -0.10 0.53 0.36 0.00 -1.16 0.00 0.00 179.01 178.64 1aq5 h ALA 41 N 1.49 1.82 0.00 3.43 0.00 -0.41 0.64 119.26 126.23 1aq5 h ALA 41 Ca 0.06 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1aq5 h ALA 41 Cb 0.50 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1aq5 h ALA 41 CO 0.03 0.10 -0.97 -0.07 0.00 0.00 0.00 179.25 178.34 1aq5 h LEU 42 N 0.55 0.00 -0.90 0.00 -0.00 -0.65 -3.22 115.31 111.09 1aq5 h LEU 42 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.11 1aq5 h LEU 42 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.88 1aq5 h LEU 42 CO -0.06 0.65 0.00 -0.33 -0.00 0.00 0.00 178.44 178.69 1aq5 h GLU 43 N 0.00 0.00 0.00 1.13 5.08 0.89 0.33 114.58 122.01 1aq5 h GLU 43 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1aq5 h GLU 43 Cb 1.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.81 1aq5 h GLU 43 CO 0.07 0.00 0.00 -0.91 -1.00 0.00 0.00 179.01 177.17 1aq5 h ASN 44 N 0.00 0.00 0.00 1.42 4.21 -0.97 -0.20 115.58 120.04 1aq5 h ASN 44 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1aq5 h ASN 44 Cb 0.69 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.89 1aq5 h ASN 44 CO 0.00 0.00 -0.58 0.29 -1.29 0.00 0.00 177.43 175.85 1aq5 n LYS 45 N -2.57 3.54 -0.01 0.81 4.76 -0.83 -4.55 118.16 119.31 1aq5 n LYS 45 Ca 0.04 -0.02 0.10 0.00 -2.87 0.00 0.00 58.31 55.57 1aq5 n LYS 45 Cb 0.39 -0.87 -0.15 0.00 -1.84 0.00 0.00 35.03 32.56 1aq5 n LYS 45 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1aq5 n ILE 46 N -1.31 0.00 0.14 -0.18 2.08 0.11 -5.11 119.36 115.09 1aq5 n ILE 46 Ca 0.00 -0.38 0.01 0.00 0.56 0.00 0.00 62.75 62.94 1aq5 n ILE 46 Cb 0.10 0.23 0.07 0.00 -0.75 0.00 0.00 39.64 39.28 1aq5 n ILE 46 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11