#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 6.65 0.53 1.61 0.15 -1.26 -5.00 113.70 116.38 1aq5 s SER 2 Ca 0.00 2.48 0.06 0.00 0.70 0.00 0.00 55.95 59.19 1aq5 s SER 2 Cb 0.00 -2.58 0.03 0.00 -1.71 0.00 0.00 66.02 61.76 1aq5 s SER 2 CO 0.00 -0.81 0.42 -1.38 1.20 0.00 0.00 173.24 172.67 1aq5 s HIS 3 N 1.78 1.76 0.37 3.44 0.00 -1.26 -5.15 115.29 116.23 1aq5 s HIS 3 Ca 0.70 -0.79 0.07 0.00 -3.00 0.00 0.00 55.06 52.04 1aq5 s HIS 3 Cb -0.40 -1.97 -0.07 0.00 -4.00 0.00 0.00 32.58 26.14 1aq5 s HIS 3 CO 0.31 -0.47 -0.00 -1.64 -1.00 0.00 0.00 174.74 171.94 1aq5 s MET 4 N -4.28 1.83 0.25 -0.38 1.00 -1.26 -5.11 119.30 111.34 1aq5 s MET 4 Ca 0.38 -2.01 -0.30 0.00 0.00 0.00 0.00 55.69 53.77 1aq5 s MET 4 Cb -0.02 -1.42 -0.09 0.00 0.00 0.00 0.00 34.83 33.29 1aq5 s MET 4 CO 0.23 -0.04 1.13 -1.21 0.00 0.00 0.00 175.02 175.13 1aq5 s GLU 5 N -3.74 4.59 -0.29 2.03 0.41 -1.26 -5.01 118.70 115.43 1aq5 s GLU 5 Ca 0.34 1.82 -0.13 0.00 -0.41 0.00 0.00 54.97 56.60 1aq5 s GLU 5 Cb 0.08 -3.21 -0.04 0.00 -1.78 0.00 0.00 34.13 29.18 1aq5 s GLU 5 CO 0.17 0.11 0.27 -2.00 -0.49 0.00 0.00 175.26 173.32 1aq5 s GLU 6 N -1.04 3.87 0.03 1.61 -6.30 -1.26 -5.02 118.70 110.59 1aq5 s GLU 6 Ca 0.47 -0.27 -0.38 0.00 -2.50 0.00 0.00 54.97 52.29 1aq5 s GLU 6 Cb -0.32 -3.70 -0.19 0.00 0.00 0.00 0.00 34.13 29.92 1aq5 s GLU 6 CO 0.40 -0.28 1.08 -3.47 0.02 0.00 0.00 175.26 173.01 1aq5 n ASP 7 N 5.19 0.24 0.03 -1.70 -0.08 -1.26 -4.87 116.55 114.09 1aq5 n ASP 7 Ca -0.12 1.15 -0.10 0.00 -1.51 0.00 0.00 54.79 54.22 1aq5 n ASP 7 Cb 0.51 -0.98 -0.07 0.00 2.34 0.00 0.00 41.12 42.92 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 3.15 -0.16 -1.14 -0.67 0.13 -2.04 -3.40 132.00 127.87 1aq5 h PRO 8 Ca -0.49 0.01 -0.45 0.00 -0.87 0.00 0.00 66.00 64.21 1aq5 h PRO 8 Cb 1.41 0.04 -0.41 0.00 0.13 0.00 0.00 31.00 32.17 1aq5 h PRO 8 CO 0.67 0.28 -0.99 0.00 -0.23 0.00 0.00 178.00 177.73 1aq5 n GLU 10 N -0.30 -0.74 -0.10 0.00 1.02 -1.26 -4.67 120.64 114.59 1aq5 n GLU 10 Ca 0.22 0.13 0.25 0.00 -0.02 0.00 0.00 57.16 57.75 1aq5 n GLU 10 Cb 0.77 -4.50 0.55 0.00 -0.02 0.00 0.00 31.44 28.24 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 -3.40 4.12 0.05 0.00 4.01 -1.26 -4.57 118.16 117.12 1aq5 n LYS 12 Ca 0.18 -0.06 -0.06 0.00 -0.51 0.00 0.00 58.31 57.85 1aq5 n LYS 12 Cb 1.21 -0.45 -0.11 0.00 -0.51 0.00 0.00 35.03 35.17 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 0.51 4.39 0.02 -1.18 -1.51 113.55 115.78 1aq5 h SER 13 Ca 0.00 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.65 1aq5 h SER 13 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1aq5 h SER 13 CO 0.00 0.94 -1.40 0.40 -1.14 0.00 0.00 176.83 175.63 1aq5 h ILE 14 N 0.00 1.32 0.00 3.27 2.04 -1.64 -2.53 117.51 119.97 1aq5 h ILE 14 Ca -0.06 -2.91 -0.02 0.00 1.00 0.00 0.00 64.86 62.87 1aq5 h ILE 14 Cb 1.77 2.88 -0.00 0.00 -0.74 0.00 0.00 36.82 40.73 1aq5 h ILE 14 CO 0.11 0.85 -0.39 0.58 0.00 0.00 0.00 178.15 179.31 1aq5 h VAL 15 N 0.08 0.15 0.03 1.67 2.07 -1.77 -2.16 116.25 116.31 1aq5 h VAL 15 Ca -0.20 -1.22 -0.27 0.00 0.82 0.00 0.00 66.70 65.83 1aq5 h VAL 15 Cb 2.01 1.94 0.02 0.00 -1.52 0.00 0.00 31.29 33.74 1aq5 h VAL 15 CO 0.19 0.08 -1.09 0.11 0.02 0.00 0.00 177.57 176.89 1aq5 h LYS 16 N 0.00 0.63 -0.10 1.57 6.56 -1.32 -2.73 116.57 121.19 1aq5 h LYS 16 Ca -0.01 -0.73 -0.09 0.00 -1.06 0.00 0.00 60.65 58.76 1aq5 h LYS 16 Cb 1.08 0.22 -0.01 0.00 -0.57 0.00 0.00 32.23 32.95 1aq5 h LYS 16 CO 0.01 1.31 -0.35 0.35 -2.06 0.00 0.00 179.45 178.71 1aq5 h PHE 17 N 0.34 0.21 -0.30 -1.35 3.04 -1.44 -2.84 116.94 114.61 1aq5 h PHE 17 Ca -0.14 -0.05 -0.00 0.00 3.98 0.00 0.00 57.97 61.76 1aq5 h PHE 17 Cb 1.74 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 40.19 1aq5 h PHE 17 CO 0.10 0.52 0.18 1.96 -2.02 0.00 0.00 178.31 179.05 1aq5 h GLN 18 N 0.17 0.40 -0.66 1.11 4.20 -1.20 -1.79 115.11 117.34 1aq5 h GLN 18 Ca 0.02 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.74 1aq5 h GLN 18 Cb 0.70 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.36 1aq5 h GLN 18 CO 0.05 0.30 0.43 1.15 -0.67 0.00 0.00 178.83 180.10 1aq5 h THR 19 N 0.38 1.05 -0.12 -0.54 2.02 -1.25 0.16 112.91 114.62 1aq5 h THR 19 Ca 0.11 -0.25 -0.06 0.00 0.77 0.00 0.00 66.41 66.97 1aq5 h THR 19 Cb 0.00 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.66 1aq5 h THR 19 CO -0.02 0.13 -0.22 0.11 0.37 0.00 0.00 175.52 175.89 1aq5 h LYS 20 N 0.73 0.20 0.00 6.66 1.79 -1.21 -0.83 116.57 123.91 1aq5 h LYS 20 Ca 0.27 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 1aq5 h LYS 20 Cb 0.16 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 1aq5 h LYS 20 CO -0.08 0.42 0.00 0.28 -1.08 0.00 0.00 179.45 178.99 1aq5 h VAL 21 N 0.19 0.00 -0.01 0.50 2.07 -0.01 -2.64 116.25 116.35 1aq5 h VAL 21 Ca 0.03 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 1aq5 h VAL 21 Cb 0.50 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1aq5 h VAL 21 CO 0.03 0.00 -0.09 -0.33 0.02 0.00 0.00 177.57 177.21 1aq5 h GLU 22 N 0.00 0.08 -0.26 1.57 4.39 0.45 -1.53 114.58 119.27 1aq5 h GLU 22 Ca 0.00 -0.07 -0.13 0.00 0.34 0.00 0.00 59.36 59.50 1aq5 h GLU 22 Cb 0.93 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.59 1aq5 h GLU 22 CO 0.00 0.78 -0.36 0.93 -1.16 0.00 0.00 179.01 179.19 1aq5 h GLU 23 N -0.60 0.59 -0.11 2.33 4.39 -1.47 -2.62 114.58 117.09 1aq5 h GLU 23 Ca -0.01 -0.28 -0.02 0.00 0.34 0.00 0.00 59.36 59.39 1aq5 h GLU 23 Cb 0.80 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.44 1aq5 h GLU 23 CO 0.02 0.87 -0.01 1.25 -1.16 0.00 0.00 179.01 179.97 1aq5 h LEU 24 N 0.49 0.19 -1.44 1.33 5.85 -1.52 -2.45 115.31 117.77 1aq5 h LEU 24 Ca 0.05 -0.34 0.10 0.00 0.84 0.00 0.00 57.88 58.53 1aq5 h LEU 24 Cb 0.86 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.79 1aq5 h LEU 24 CO 0.07 0.48 0.48 0.40 -0.34 0.00 0.00 178.44 179.54 1aq5 h ILE 25 N -0.10 0.93 -0.58 4.05 5.03 -1.22 -0.33 117.51 125.29 1aq5 h ILE 25 Ca 0.03 -0.22 -0.06 0.00 -0.12 0.00 0.00 64.86 64.49 1aq5 h ILE 25 Cb 0.39 0.24 -0.02 0.00 -3.03 0.00 0.00 36.82 34.40 1aq5 h ILE 25 CO 0.01 0.12 0.13 -1.13 -0.68 0.00 0.00 178.15 176.59 1aq5 h ASN 26 N 0.63 0.90 0.04 1.72 -0.73 -1.19 -1.67 115.58 115.29 1aq5 h ASN 26 Ca 0.34 -0.24 -0.03 0.00 1.87 0.00 0.00 56.30 58.23 1aq5 h ASN 26 Cb 0.47 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.81 1aq5 h ASN 26 CO -0.12 0.91 -0.10 0.74 -0.37 0.00 0.00 177.43 178.50 1aq5 h THR 27 N 0.85 1.13 -0.11 -3.57 2.02 -0.62 -0.58 112.91 112.04 1aq5 h THR 27 Ca 0.18 -0.56 -0.09 0.00 0.77 0.00 0.00 66.41 66.72 1aq5 h THR 27 Cb 0.37 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1aq5 h THR 27 CO 0.01 0.17 -0.27 -0.07 0.37 0.00 0.00 175.52 175.73 1aq5 h LEU 28 N 0.14 0.42 -0.39 2.58 3.38 -0.68 -1.78 115.31 118.97 1aq5 h LEU 28 Ca 0.03 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.42 1aq5 h LEU 28 Cb 0.26 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1aq5 h LEU 28 CO 0.01 0.93 0.00 1.67 0.09 0.00 0.00 178.44 181.14 1aq5 n GLN 29 N -4.45 0.10 -0.07 1.13 7.27 -0.69 -1.65 117.38 119.01 1aq5 n GLN 29 Ca -0.07 0.36 -0.13 0.00 0.07 0.00 0.00 57.00 57.23 1aq5 n GLN 29 Cb 0.46 -1.70 -0.10 0.00 2.41 0.00 0.00 30.24 31.31 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 -0.75 -2.41 115.11 116.72 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 0.78 0.00 0.87 -0.95 0.00 0.00 178.83 179.53 1aq5 h LYS 31 N -1.00 0.00 0.06 1.46 1.57 -1.16 -1.81 116.57 115.69 1aq5 h LYS 31 Ca -0.08 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.61 1aq5 h LYS 31 Cb 0.88 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.20 1aq5 h LYS 31 CO -0.05 0.00 -0.43 1.25 -0.57 0.00 0.00 179.45 179.65 1aq5 h LEU 32 N 0.00 0.19 -1.67 2.94 5.85 -1.37 -0.58 115.31 120.68 1aq5 h LEU 32 Ca 0.00 -0.95 0.00 0.00 0.84 0.00 0.00 57.88 57.77 1aq5 h LEU 32 Cb 0.25 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1aq5 h LEU 32 CO 0.00 1.20 0.00 -0.08 -0.34 0.00 0.00 178.44 179.22 1aq5 h GLU 33 N -0.74 0.00 0.02 1.25 4.81 -1.12 -1.42 114.58 117.38 1aq5 h GLU 33 Ca -0.09 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.85 1aq5 h GLU 33 Cb 1.29 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.62 1aq5 h GLU 33 CO 0.05 0.00 -1.67 0.00 -0.73 0.00 0.00 179.01 176.66 1aq5 h ALA 34 N 2.03 0.68 -0.55 2.92 0.00 -1.38 -3.10 119.26 119.86 1aq5 h ALA 34 Ca 0.00 -1.39 -0.09 0.00 0.00 0.00 0.00 54.91 53.43 1aq5 h ALA 34 Cb 0.39 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1aq5 h ALA 34 CO 0.00 1.51 -0.02 0.28 0.00 0.00 0.00 179.25 181.02 1aq5 h VAL 35 N 0.01 1.26 -0.02 0.00 2.07 -0.32 -0.90 116.25 118.35 1aq5 h VAL 35 Ca -0.27 -1.12 -0.09 0.00 0.82 0.00 0.00 66.70 66.03 1aq5 h VAL 35 Cb 1.99 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 1aq5 h VAL 35 CO 0.09 0.40 -0.43 0.00 0.02 0.00 0.00 177.57 177.65 1aq5 h ALA 36 N 1.10 1.26 -0.16 1.67 0.00 -1.39 -1.18 119.26 120.56 1aq5 h ALA 36 Ca 0.16 -0.40 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 1aq5 h ALA 36 Cb 0.54 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1aq5 h ALA 36 CO 0.03 0.55 -0.52 0.87 0.00 0.00 0.00 179.25 180.18 1aq5 h LYS 37 N 0.03 0.44 -0.15 0.00 1.57 -1.26 -2.25 116.57 114.94 1aq5 h LYS 37 Ca -0.00 -0.26 -0.19 0.00 -1.87 0.00 0.00 60.65 58.32 1aq5 h LYS 37 Cb 0.78 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 1aq5 h LYS 37 CO 0.06 0.85 -0.68 0.00 -0.57 0.00 0.00 179.45 179.11 1aq5 h ARG 38 N 0.34 0.61 -0.54 3.15 3.08 -0.77 -2.08 114.38 118.17 1aq5 h ARG 38 Ca 0.01 -0.46 0.03 0.00 0.07 0.00 0.00 59.98 59.64 1aq5 h ARG 38 Cb 1.03 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 31.13 1aq5 h ARG 38 CO 0.09 1.08 0.31 0.82 -1.07 0.00 0.00 179.97 181.20 1aq5 h ILE 39 N 0.44 1.03 -0.40 2.04 1.08 -1.04 0.63 117.51 121.28 1aq5 h ILE 39 Ca -0.02 -0.21 -0.03 0.00 -0.39 0.00 0.00 64.86 64.20 1aq5 h ILE 39 Cb 1.27 0.36 -0.02 0.00 -3.07 0.00 0.00 36.82 35.36 1aq5 h ILE 39 CO 0.13 0.11 0.10 -0.33 -0.69 0.00 0.00 178.15 177.48 1aq5 h GLU 40 N 0.62 0.59 -0.61 2.37 4.39 -1.29 -0.21 114.58 120.44 1aq5 h GLU 40 Ca 0.22 -0.10 0.09 0.00 0.34 0.00 0.00 59.36 59.92 1aq5 h GLU 40 Cb 0.05 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.57 1aq5 h GLU 40 CO -0.11 0.54 0.41 0.00 -1.16 0.00 0.00 179.01 178.68 1aq5 h ALA 41 N 1.54 1.98 0.01 3.43 0.00 -0.17 0.16 119.26 126.21 1aq5 h ALA 41 Ca 0.14 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.80 1aq5 h ALA 41 Cb 0.21 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1aq5 h ALA 41 CO -0.00 -0.12 -1.17 -0.07 0.00 0.00 0.00 179.25 177.89 1aq5 h LEU 42 N 0.44 0.03 -0.96 0.00 -0.00 -0.43 -3.18 115.31 111.20 1aq5 h LEU 42 Ca 0.28 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 58.13 1aq5 h LEU 42 Cb 0.51 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.16 1aq5 h LEU 42 CO -0.08 1.03 0.00 -0.33 -0.00 0.00 0.00 178.44 179.06 1aq5 h GLU 43 N 0.00 0.00 0.00 1.13 5.08 0.68 0.16 114.58 121.64 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 1.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.08 1aq5 h GLU 43 CO 0.12 0.00 0.00 -0.91 -1.00 0.00 0.00 179.01 177.22 1aq5 h ASN 44 N 0.00 0.00 0.00 1.42 4.21 -0.80 0.46 115.58 120.87 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 0.54 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.74 1aq5 h ASN 44 CO 0.00 0.00 -1.06 0.29 -1.29 0.00 0.00 177.43 175.37 1aq5 n LYS 45 N -3.05 1.67 0.00 0.81 4.76 -0.83 -4.47 118.16 117.05 1aq5 n LYS 45 Ca 0.03 -0.05 0.11 0.00 -2.87 0.00 0.00 58.31 55.52 1aq5 n LYS 45 Cb 0.44 -1.11 -0.11 0.00 -1.84 0.00 0.00 35.03 32.40 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 -1.60 0.03 0.00 -0.18 2.08 0.52 -5.12 119.36 115.09 1aq5 n ILE 46 Ca -0.00 -0.24 0.00 0.00 0.56 0.00 0.00 62.75 63.07 1aq5 n ILE 46 Cb 0.21 0.47 0.00 0.00 -0.75 0.00 0.00 39.64 39.56 1aq5 n ILE 46 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11