#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 -2.68 0.00 5.66 -1.26 -2.40 114.28 113.60 1ce4 n THR 2 Ca 0.00 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.64 1ce4 n THR 2 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1ce4 n THR 2 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1ce4 n ARG 3 N 0.00 4.51 0.04 1.09 0.63 -1.26 -4.74 116.66 116.93 1ce4 n ARG 3 Ca 0.00 -4.65 -0.19 0.00 -0.92 0.00 0.00 57.85 52.09 1ce4 n ARG 3 Cb 0.00 -2.38 -0.09 0.00 0.45 0.00 0.00 32.46 30.44 1ce4 n ARG 3 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 1ce4 h PRO 4 N 3.68 0.66 -1.27 -0.14 0.13 -2.03 -3.28 132.00 129.75 1ce4 h PRO 4 Ca 0.40 -0.70 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1ce4 h PRO 4 Cb 0.38 0.20 0.00 0.00 0.13 0.00 0.00 31.00 31.71 1ce4 h PRO 4 CO 1.07 1.29 0.00 0.27 -0.23 0.00 0.00 178.00 180.40 1ce4 n ASN 5 N -3.84 0.29 -2.61 1.44 2.04 -1.26 -4.62 115.26 106.70 1ce4 n ASN 5 Ca -0.10 -0.25 -0.02 0.00 -0.44 0.00 0.00 54.58 53.76 1ce4 n ASN 5 Cb 0.87 -0.06 -0.01 0.00 -2.53 0.00 0.00 39.78 38.04 1ce4 n ASN 5 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 1ce4 n ASN 6 N 0.76 0.62 0.00 0.53 0.23 -1.24 -0.63 115.26 115.53 1ce4 n ASN 6 Ca 0.00 -1.73 0.00 0.00 -0.53 0.00 0.00 54.58 52.32 1ce4 n ASN 6 Cb 0.05 -0.27 0.00 0.00 -2.08 0.00 0.00 39.78 37.48 1ce4 n ASN 6 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1ce4 n ASN 7 N 3.49 0.00 -0.26 0.53 0.23 -1.26 -4.96 115.26 113.03 1ce4 n ASN 7 Ca 0.05 0.00 0.10 0.00 -0.53 0.00 0.00 54.58 54.21 1ce4 n ASN 7 Cb 0.07 0.00 0.21 0.00 -2.08 0.00 0.00 39.78 37.98 1ce4 n ASN 7 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 1ce4 n THR 8 N 0.00 -0.32 0.58 5.53 -1.04 -1.19 -1.05 114.28 116.80 1ce4 n THR 8 Ca 0.00 1.67 0.08 0.00 -2.04 0.00 0.00 64.05 63.75 1ce4 n THR 8 Cb 0.00 -2.42 0.35 0.00 -1.82 0.00 0.00 70.33 66.45 1ce4 n THR 8 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1ce4 n ARG 9 N -5.07 0.03 -2.64 -2.82 1.85 0.20 -4.96 116.66 103.25 1ce4 n ARG 9 Ca 0.17 0.21 -0.05 0.00 -1.00 0.00 0.00 57.85 57.18 1ce4 n ARG 9 Cb 0.55 -1.50 0.03 0.00 -1.05 0.00 0.00 32.46 30.49 1ce4 n ARG 9 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1ce4 n LYS 10 N -1.48 -1.24 -1.20 2.89 4.76 -0.21 -4.97 118.16 116.71 1ce4 n LYS 10 Ca 0.04 0.88 -0.22 0.00 -2.87 0.00 0.00 58.31 56.14 1ce4 n LYS 10 Cb 0.18 -4.45 0.18 0.00 -1.84 0.00 0.00 35.03 29.10 1ce4 n LYS 10 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1ce4 n SER 11 N -2.13 3.67 -0.00 4.39 7.64 -1.26 -4.31 113.62 121.61 1ce4 n SER 11 Ca -0.03 -3.62 0.01 0.00 1.01 0.00 0.00 58.87 56.24 1ce4 n SER 11 Cb 0.54 -0.82 -0.01 0.00 -1.01 0.00 0.00 64.21 62.91 1ce4 n SER 11 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1ce4 n ILE 12 N -1.14 0.01 -0.19 0.44 2.08 -1.26 -4.54 119.36 114.76 1ce4 n ILE 12 Ca 0.58 -0.03 -0.05 0.00 0.56 0.00 0.00 62.75 63.81 1ce4 n ILE 12 Cb 1.63 0.34 -0.05 0.00 -0.75 0.00 0.00 39.64 40.82 1ce4 n ILE 12 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ce4 n HIS 13 N -1.59 -0.20 0.00 1.39 1.44 -1.26 -4.21 115.22 110.80 1ce4 n HIS 13 Ca -0.00 0.57 0.00 0.00 -2.01 0.00 0.00 57.72 56.28 1ce4 n HIS 13 Cb 0.08 -0.49 0.00 0.00 0.12 0.00 0.00 29.99 29.70 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 -4.10 0.00 0.00 0.61 5.41 -1.26 -5.10 119.36 114.92 1ce4 n ILE 14 Ca 0.01 0.21 0.00 0.00 1.00 0.00 0.00 62.75 63.97 1ce4 n ILE 14 Cb 0.12 -1.18 0.00 0.00 -0.71 0.00 0.00 39.64 37.86 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 2.09 2.22 0.27 7.39 0.00 -1.26 -4.82 105.19 111.09 1ce4 n GLY 15 Ca 0.00 -0.68 -0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 0.56 -2.07 1.61 0.13 -1.96 -2.88 132.00 127.38 1ce4 h PRO 16 Ca 0.00 -0.12 -0.01 0.00 -0.87 0.00 0.00 66.00 65.00 1ce4 h PRO 16 Cb 0.00 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 31.04 1ce4 h PRO 16 CO 0.00 0.57 0.01 0.41 -0.23 0.00 0.00 178.00 178.77 1ce4 n GLY 17 N -0.87 1.52 0.55 1.56 0.00 -1.26 -4.63 105.19 102.06 1ce4 n GLY 17 Ca 0.02 -0.08 0.35 0.00 0.00 0.00 0.00 46.02 46.31 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 2.86 0.00 -0.19 1.61 0.11 -1.93 0.25 114.38 117.09 1ce4 h ARG 18 Ca 0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.09 1ce4 h ARG 18 Cb 0.51 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.59 1ce4 h ARG 18 CO 0.05 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.12 1ce4 n ALA 19 N -2.60 2.37 -1.69 0.08 0.00 -1.26 -4.69 120.51 112.72 1ce4 n ALA 19 Ca 0.27 -1.68 0.00 0.00 0.00 0.00 0.00 53.44 52.03 1ce4 n ALA 19 Cb 1.41 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 20.45 1ce4 n ALA 19 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1ce4 n PHE 20 N -0.31 0.00 0.14 0.00 1.16 -0.08 -5.00 117.46 113.37 1ce4 n PHE 20 Ca 0.12 0.00 0.06 0.00 -1.87 0.00 0.00 57.45 55.76 1ce4 n PHE 20 Cb 0.55 0.05 0.30 0.00 -1.61 0.00 0.00 39.48 38.77 1ce4 n PHE 20 CO 0.00 0.00 0.00 2.48 -1.87 0.00 0.00 176.76 177.37 1ce4 n TYR 21 N 0.00 0.35 0.00 2.97 0.18 0.70 -4.41 117.16 116.95 1ce4 n TYR 21 Ca 0.00 0.18 0.00 0.00 1.88 0.00 0.00 57.90 59.96 1ce4 n TYR 21 Cb 0.32 -0.78 0.00 0.00 -0.38 0.00 0.00 39.34 38.50 1ce4 n TYR 21 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1ce4 n THR 22 N -1.86 0.00 0.17 -3.48 -2.24 -1.26 -4.86 114.28 100.75 1ce4 n THR 22 Ca -0.00 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 1ce4 n THR 22 Cb 0.05 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.20 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 0.00 0.18 -0.56 4.28 1.35 -1.98 -0.36 112.91 115.82 1ce4 h THR 23 Ca 0.00 0.00 0.21 0.00 -0.55 0.00 0.00 66.41 66.07 1ce4 h THR 23 Cb 0.00 0.18 -0.10 0.00 -1.73 0.00 0.00 68.15 66.50 1ce4 h THR 23 CO 0.00 0.00 0.21 0.61 -0.25 0.00 0.00 175.52 176.09 1ce4 n GLY 24 N -1.47 -0.53 0.10 5.82 0.00 -1.26 -0.32 105.19 107.52 1ce4 n GLY 24 Ca -0.08 0.49 -0.03 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.19 -0.27 1.61 4.81 -1.45 -0.99 114.58 118.10 1ce4 h GLU 25 Ca 0.43 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.73 1ce4 h GLU 25 Cb 1.08 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.45 1ce4 h GLU 25 CO -0.46 -0.12 -0.08 -0.84 -0.73 0.00 0.00 179.01 176.77 1ce4 h ILE 26 N -0.64 0.69 -0.16 2.32 3.07 -1.27 0.15 117.51 121.67 1ce4 h ILE 26 Ca -0.02 0.00 -0.10 0.00 1.55 0.00 0.00 64.86 66.29 1ce4 h ILE 26 Cb 0.15 0.69 0.00 0.00 -0.27 0.00 0.00 36.82 37.39 1ce4 h ILE 26 CO 0.03 0.00 -0.31 0.40 -1.05 0.00 0.00 178.15 177.23 1ce4 h ILE 27 N -0.03 1.35 -0.32 0.16 5.03 -0.85 -0.09 117.51 122.77 1ce4 h ILE 27 Ca 0.13 -1.56 0.07 0.00 -0.12 0.00 0.00 64.86 63.39 1ce4 h ILE 27 Cb 0.23 1.97 -0.08 0.00 -3.03 0.00 0.00 36.82 35.91 1ce4 h ILE 27 CO -0.29 0.47 -0.25 1.23 -0.68 0.00 0.00 178.15 178.62 1ce4 h GLY 28 N 0.11 -0.12 0.35 5.37 0.00 -0.87 0.12 103.07 108.03 1ce4 h GLY 28 Ca 0.01 0.32 0.04 0.00 0.00 0.00 0.00 47.33 47.69 1ce4 h GLY 28 CO 0.07 -0.20 -0.26 -1.80 0.00 0.00 0.00 176.54 174.35 1ce4 h ASP 29 N -0.22 -0.79 -0.99 0.19 -0.00 -0.67 -1.18 116.42 112.76 1ce4 h ASP 29 Ca 0.16 0.11 0.26 0.00 -0.00 0.00 0.00 57.03 57.56 1ce4 h ASP 29 Cb 0.47 0.33 -0.06 0.00 -0.00 0.00 0.00 39.33 40.07 1ce4 h ASP 29 CO -0.44 -0.32 0.67 0.40 -0.00 0.00 0.00 179.24 179.55 1ce4 h ILE 30 N -0.37 0.55 -0.34 2.25 1.08 -0.35 0.30 117.51 120.64 1ce4 h ILE 30 Ca 0.08 -0.08 -0.15 0.00 -0.39 0.00 0.00 64.86 64.32 1ce4 h ILE 30 Cb 0.48 0.31 -0.00 0.00 -3.07 0.00 0.00 36.82 34.54 1ce4 h ILE 30 CO -0.27 0.04 -0.39 0.03 -0.69 0.00 0.00 178.15 176.88 1ce4 h ARG 31 N 0.22 0.86 -0.58 2.37 2.47 0.18 -3.10 114.38 116.80 1ce4 h ARG 31 Ca 0.51 -0.47 0.02 0.00 -1.26 0.00 0.00 59.98 58.78 1ce4 h ARG 31 Cb 1.60 0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 29.92 1ce4 h ARG 31 CO -0.14 1.11 0.39 1.96 0.56 0.00 0.00 179.97 183.85 1ce4 h GLN 32 N 0.65 0.72 -0.92 0.04 1.08 -0.03 -3.32 115.11 113.34 1ce4 h GLN 32 Ca 0.05 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1ce4 h GLN 32 Cb 0.98 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 28.25 1ce4 h GLN 32 CO 0.09 0.48 0.00 0.00 -0.95 0.00 0.00 178.83 178.45 1ce4 n ALA 33 N -2.45 2.04 0.86 3.87 0.00 0.79 -0.98 120.51 124.63 1ce4 n ALA 33 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.60 1ce4 n ALA 33 Cb 0.08 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.52 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 0.37 0.00 0.00 0.00 8.25 -1.25 -4.85 115.22 117.74 1ce4 n HIS 34 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ce4 n HIS 34 Cb 0.22 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.33 1ce4 n HIS 34 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98