#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ce4 n THR 2 N 0.00 0.00 -0.54 0.00 -1.04 -1.25 -3.60 114.28 107.84 1ce4 n THR 2 Ca 0.00 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.77 1ce4 n THR 2 Cb 0.00 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.47 1ce4 n THR 2 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1ce4 n ARG 3 N 0.00 0.00 0.00 -2.82 1.85 -1.26 -4.71 116.66 109.72 1ce4 n ARG 3 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1ce4 n ARG 3 Cb 0.00 -0.57 0.00 0.00 -1.05 0.00 0.00 32.46 30.84 1ce4 n ARG 3 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 1ce4 n PRO 4 N 2.46 0.00 0.00 2.89 -0.04 -1.26 -3.50 135.00 135.54 1ce4 n PRO 4 Ca 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1ce4 n PRO 4 Cb -0.02 -0.23 0.00 0.00 -0.04 0.00 0.00 33.50 33.22 1ce4 n PRO 4 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1ce4 n ASN 5 N 0.00 0.00 0.00 3.54 0.23 -1.26 -4.28 115.26 113.49 1ce4 n ASN 5 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1ce4 n ASN 5 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1ce4 n ASN 5 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1ce4 n ASN 6 N 0.74 0.00 -0.02 0.53 0.23 -1.23 -2.91 115.26 112.60 1ce4 n ASN 6 Ca 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 54.58 54.04 1ce4 n ASN 6 Cb 0.00 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1ce4 n ASN 6 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1ce4 h ASN 7 N 0.00 -0.03 0.00 0.53 7.08 -1.92 -3.47 115.58 117.77 1ce4 h ASN 7 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1ce4 h ASN 7 Cb 0.00 0.01 0.00 0.00 -2.08 0.00 0.00 38.32 36.25 1ce4 h ASN 7 CO 0.00 0.36 0.00 1.07 -2.08 0.00 0.00 177.43 176.78 1ce4 n THR 8 N -4.25 0.00 0.00 6.14 5.66 -1.15 -4.78 114.28 115.90 1ce4 n THR 8 Ca -0.00 0.00 0.23 0.00 -3.05 0.00 0.00 64.05 61.23 1ce4 n THR 8 Cb 0.02 0.00 0.71 0.00 -1.55 0.00 0.00 70.33 69.50 1ce4 n THR 8 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 1ce4 h ARG 9 N 0.00 0.00 -4.96 1.09 2.47 -1.91 -3.30 114.38 107.76 1ce4 h ARG 9 Ca 0.00 0.00 -0.44 0.00 -1.26 0.00 0.00 59.98 58.28 1ce4 h ARG 9 Cb 0.00 0.00 0.05 0.00 -1.65 0.00 0.00 29.97 28.37 1ce4 h ARG 9 CO 0.00 0.00 1.32 0.36 0.56 0.00 0.00 179.97 182.21 1ce4 n LYS 10 N -3.75 0.82 0.00 0.04 0.00 -1.26 -1.43 118.16 112.58 1ce4 n LYS 10 Ca 0.12 -1.71 0.00 0.00 -0.00 0.00 0.00 58.31 56.71 1ce4 n LYS 10 Cb 0.80 -3.18 0.00 0.00 -0.00 0.00 0.00 35.03 32.65 1ce4 n LYS 10 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1ce4 n SER 11 N 11.90 0.00 -0.21 -5.58 3.41 -1.25 -4.81 113.62 117.08 1ce4 n SER 11 Ca 0.46 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 59.22 1ce4 n SER 11 Cb 0.44 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.66 1ce4 n SER 11 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1ce4 n ILE 12 N 0.00 -0.27 0.00 -1.33 5.41 -0.51 -4.15 119.36 118.51 1ce4 n ILE 12 Ca 0.00 1.34 0.00 0.00 1.00 0.00 0.00 62.75 65.09 1ce4 n ILE 12 Cb 0.00 -2.06 0.00 0.00 -0.71 0.00 0.00 39.64 36.87 1ce4 n ILE 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ce4 n HIS 13 N -4.64 0.00 -0.68 1.39 1.44 -1.26 -4.54 115.22 106.92 1ce4 n HIS 13 Ca 0.19 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.86 1ce4 n HIS 13 Cb 0.64 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.69 1ce4 n HIS 13 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 1ce4 n ILE 14 N 0.00 2.35 -0.11 0.61 5.41 -1.26 -4.84 119.36 121.53 1ce4 n ILE 14 Ca 0.00 -0.87 -0.03 0.00 1.00 0.00 0.00 62.75 62.85 1ce4 n ILE 14 Cb 0.00 -1.68 -0.03 0.00 -0.71 0.00 0.00 39.64 37.22 1ce4 n ILE 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ce4 n GLY 15 N 1.89 -1.32 0.34 7.39 0.00 -1.26 -0.37 105.19 111.86 1ce4 n GLY 15 Ca 0.16 0.43 -0.02 0.00 0.00 0.00 0.00 46.02 46.59 1ce4 n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ce4 h PRO 16 N 0.00 1.09 -3.05 1.61 0.13 -1.94 -3.27 132.00 126.57 1ce4 h PRO 16 Ca 0.04 -0.13 -0.55 0.00 -0.87 0.00 0.00 66.00 64.49 1ce4 h PRO 16 Cb 0.11 -0.21 0.02 0.00 0.13 0.00 0.00 31.00 31.04 1ce4 h PRO 16 CO -0.25 0.81 3.18 0.41 -0.23 0.00 0.00 178.00 181.92 1ce4 n GLY 17 N -1.15 3.81 0.32 1.56 0.00 0.50 -4.76 105.19 105.47 1ce4 n GLY 17 Ca 0.08 -1.28 0.18 0.00 0.00 0.00 0.00 46.02 45.00 1ce4 n GLY 17 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ce4 h ARG 18 N 5.23 0.30 0.00 1.61 0.11 -1.69 0.20 114.38 120.15 1ce4 h ARG 18 Ca 0.71 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.78 1ce4 h ARG 18 Cb 0.33 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.34 1ce4 h ARG 18 CO 1.57 0.20 0.00 0.00 0.10 0.00 0.00 179.97 181.84 1ce4 n ALA 19 N -2.48 2.16 0.44 0.08 0.00 -1.26 -2.66 120.51 116.79 1ce4 n ALA 19 Ca 0.26 -0.11 0.10 0.00 0.00 0.00 0.00 53.44 53.70 1ce4 n ALA 19 Cb 0.81 -1.36 0.16 0.00 0.00 0.00 0.00 19.45 19.05 1ce4 n ALA 19 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ce4 n PHE 20 N -1.28 0.31 0.06 0.00 3.72 0.69 -4.56 117.46 116.40 1ce4 n PHE 20 Ca 0.11 -0.18 0.01 0.00 -0.05 0.00 0.00 57.45 57.34 1ce4 n PHE 20 Cb 0.18 -0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.75 1ce4 n PHE 20 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1ce4 n TYR 21 N 1.24 0.00 -0.54 1.38 4.02 -1.09 -4.91 117.16 117.27 1ce4 n TYR 21 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.04 1ce4 n TYR 21 Cb 0.54 -0.33 0.00 0.00 -0.02 0.00 0.00 39.34 39.53 1ce4 n TYR 21 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1ce4 n THR 22 N -1.33 -2.81 0.09 -0.72 -2.24 -1.26 -4.41 114.28 101.60 1ce4 n THR 22 Ca 0.01 0.39 -0.14 0.00 -2.27 0.00 0.00 64.05 62.03 1ce4 n THR 22 Cb 0.01 -2.06 -0.09 0.00 -2.10 0.00 0.00 70.33 66.10 1ce4 n THR 22 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1ce4 h THR 23 N 0.47 0.00 -0.80 4.28 1.35 -1.92 0.32 112.91 116.62 1ce4 h THR 23 Ca 0.00 0.00 0.32 0.00 -0.55 0.00 0.00 66.41 66.18 1ce4 h THR 23 Cb 0.00 0.00 -0.14 0.00 -1.73 0.00 0.00 68.15 66.28 1ce4 h THR 23 CO 0.00 0.00 0.37 0.61 -0.25 0.00 0.00 175.52 176.25 1ce4 n GLY 24 N -1.41 -0.67 0.19 5.82 0.00 -1.26 -0.69 105.19 107.16 1ce4 n GLY 24 Ca -0.07 0.67 -0.07 0.00 0.00 0.00 0.00 46.02 46.54 1ce4 n GLY 24 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ce4 h GLU 25 N 0.00 -0.37 -0.48 1.61 4.81 -0.62 -0.38 114.58 119.15 1ce4 h GLU 25 Ca 0.65 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.97 1ce4 h GLU 25 Cb 1.67 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 31.07 1ce4 h GLU 25 CO -0.63 -0.17 0.14 -0.84 -0.73 0.00 0.00 179.01 176.78 1ce4 h ILE 26 N -1.07 0.79 -0.34 2.32 3.07 -0.70 0.22 117.51 121.81 1ce4 h ILE 26 Ca -0.04 -0.10 -0.05 0.00 1.55 0.00 0.00 64.86 66.22 1ce4 h ILE 26 Cb 0.36 0.47 -0.01 0.00 -0.27 0.00 0.00 36.82 37.37 1ce4 h ILE 26 CO 0.06 0.06 0.03 0.40 -1.05 0.00 0.00 178.15 177.65 1ce4 h ILE 27 N 0.30 1.25 -0.72 0.16 5.03 -1.06 0.12 117.51 122.59 1ce4 h ILE 27 Ca 0.24 -0.90 0.16 0.00 -0.12 0.00 0.00 64.86 64.24 1ce4 h ILE 27 Cb 0.28 1.17 -0.12 0.00 -3.03 0.00 0.00 36.82 35.12 1ce4 h ILE 27 CO -0.27 0.30 0.09 1.23 -0.68 0.00 0.00 178.15 178.82 1ce4 h GLY 28 N 0.40 0.90 0.68 5.37 0.00 0.04 0.16 103.07 110.64 1ce4 h GLY 28 Ca 0.10 0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.46 1ce4 h GLY 28 CO 0.01 -0.24 -0.01 -1.80 0.00 0.00 0.00 176.54 174.50 1ce4 h ASP 29 N 0.18 -0.03 -0.51 0.19 3.58 -0.34 -0.85 116.42 118.65 1ce4 h ASP 29 Ca 0.40 -0.31 0.08 0.00 0.42 0.00 0.00 57.03 57.63 1ce4 h ASP 29 Cb 0.70 0.01 -0.07 0.00 1.72 0.00 0.00 39.33 41.69 1ce4 h ASP 29 CO -0.57 0.29 0.14 0.40 -2.88 0.00 0.00 179.24 176.61 1ce4 h ILE 30 N -0.36 0.76 -0.35 2.25 1.08 -0.35 0.00 117.51 120.54 1ce4 h ILE 30 Ca -0.00 -0.10 -0.15 0.00 -0.39 0.00 0.00 64.86 64.22 1ce4 h ILE 30 Cb 0.34 0.45 -0.01 0.00 -3.07 0.00 0.00 36.82 34.52 1ce4 h ILE 30 CO 0.01 0.05 -0.38 0.08 -0.69 0.00 0.00 178.15 177.22 1ce4 h ARG 31 N 0.29 0.84 -0.60 2.37 0.11 -0.72 -2.70 114.38 113.97 1ce4 h ARG 31 Ca 0.25 -0.43 0.12 0.00 0.10 0.00 0.00 59.98 60.02 1ce4 h ARG 31 Cb 0.32 0.01 -0.11 0.00 1.11 0.00 0.00 29.97 31.30 1ce4 h ARG 31 CO -0.30 1.07 -0.15 0.37 0.10 0.00 0.00 179.97 181.06 1ce4 h GLN 32 N 0.69 0.00 0.00 0.08 4.15 -0.73 -2.78 115.11 116.52 1ce4 h GLN 32 Ca 0.06 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1ce4 h GLN 32 Cb 0.95 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.64 1ce4 h GLN 32 CO 0.09 0.00 0.00 0.00 -1.93 0.00 0.00 178.83 176.99 1ce4 n ALA 33 N -3.01 2.16 0.68 3.38 0.00 -0.05 -2.60 120.51 121.07 1ce4 n ALA 33 Ca 0.07 -0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.58 1ce4 n ALA 33 Cb 0.31 -1.03 0.06 0.00 0.00 0.00 0.00 19.45 18.79 1ce4 n ALA 33 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ce4 n HIS 34 N -0.54 0.00 0.00 0.00 8.25 -1.05 -3.97 115.22 117.91 1ce4 n HIS 34 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1ce4 n HIS 34 Cb 0.01 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.12 1ce4 n HIS 34 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98