#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 -1.34 0.00 5.66 -1.26 -4.26 114.28 113.08 1ce4 n THR 2 Ca 0.00 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.67 1ce4 n THR 2 Cb 0.00 0.00 0.06 0.00 -1.55 0.00 0.00 70.33 68.84 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 2.55 -0.00 1.09 0.63 -1.26 -4.86 116.66 114.81 1ce4 n ARG 3 Ca 0.00 -3.02 -0.10 0.00 -0.92 0.00 0.00 57.85 53.81 1ce4 n ARG 3 Cb 0.00 -2.18 -0.05 0.00 0.45 0.00 0.00 32.46 30.69 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 2.07 -0.02 -0.74 -0.14 0.13 -2.01 0.73 132.00 132.03 1ce4 h PRO 4 Ca 0.55 0.00 0.30 0.00 -0.87 0.00 0.00 66.00 65.98 1ce4 h PRO 4 Cb 0.73 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.73 1ce4 h PRO 4 CO 1.43 -0.01 0.36 0.27 -0.23 0.00 0.00 178.00 179.82 1ce4 n ASN 5 N -5.16 0.23 -1.92 1.44 0.23 -1.26 -4.84 115.26 103.98 1ce4 n ASN 5 Ca -0.04 1.22 -0.14 0.00 -0.53 0.00 0.00 54.58 55.09 1ce4 n ASN 5 Cb 0.09 -0.58 -0.03 0.00 -2.08 0.00 0.00 39.78 37.18 1ce4 n ASN 5 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1ce4 n ASN 6 N -4.70 -3.95 0.00 0.53 3.02 0.25 -0.41 115.26 110.00 1ce4 n ASN 6 Ca 0.27 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 55.07 1ce4 n ASN 6 Cb 0.91 -3.50 0.00 0.00 -0.61 0.00 0.00 39.78 36.59 1ce4 n ASN 6 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1ce4 n ASN 7 N -1.21 0.00 -2.56 6.41 5.03 -1.26 -5.03 115.26 116.64 1ce4 n ASN 7 Ca -0.15 0.00 -0.16 0.00 0.87 0.00 0.00 54.58 55.14 1ce4 n ASN 7 Cb 0.54 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 39.22 1ce4 n ASN 7 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 1ce4 n THR 8 N -1.02 2.46 -1.98 3.41 -1.04 0.45 -4.85 114.28 111.71 1ce4 n THR 8 Ca 0.00 -1.34 -0.42 0.00 -2.04 0.00 0.00 64.05 60.25 1ce4 n THR 8 Cb 0.00 -2.02 -0.01 0.00 -1.82 0.00 0.00 70.33 66.49 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 3.16 2.82 -0.98 -2.82 1.85 -1.26 -4.80 116.66 114.65 1ce4 n ARG 9 Ca 0.40 -2.77 -0.34 0.00 -1.00 0.00 0.00 57.85 54.14 1ce4 n ARG 9 Cb 0.46 -3.35 -0.04 0.00 -1.05 0.00 0.00 32.46 28.48 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 7.00 1.70 -2.88 2.89 5.02 -1.26 -4.35 118.16 126.28 1ce4 n LYS 10 Ca 0.51 -1.68 -0.13 0.00 -2.02 0.00 0.00 58.31 54.99 1ce4 n LYS 10 Cb 0.42 -2.73 0.01 0.00 -0.02 0.00 0.00 35.03 32.71 1ce4 n LYS 10 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1ce4 n SER 11 N 6.19 -2.01 0.23 4.39 2.88 -1.26 -5.04 113.62 119.00 1ce4 n SER 11 Ca 0.47 -3.11 0.15 0.00 -1.33 0.00 0.00 58.87 55.04 1ce4 n SER 11 Cb 0.29 1.10 0.79 0.00 -0.75 0.00 0.00 64.21 65.64 1ce4 n SER 11 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1ce4 h ILE 12 N 2.77 0.00 -0.72 2.46 1.08 -2.00 -0.88 117.51 120.22 1ce4 h ILE 12 Ca -0.08 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.49 1ce4 h ILE 12 Cb 0.99 0.64 -0.11 0.00 -3.07 0.00 0.00 36.82 35.27 1ce4 h ILE 12 CO 0.36 0.00 -0.32 1.41 -0.69 0.00 0.00 178.15 178.92 1ce4 n HIS 13 N -2.55 -0.06 -0.92 1.37 8.25 -1.26 -4.54 115.22 115.51 1ce4 n HIS 13 Ca -0.02 0.89 0.00 0.00 -0.26 0.00 0.00 57.72 58.33 1ce4 n HIS 13 Cb 0.10 -0.72 0.00 0.00 1.12 0.00 0.00 29.99 30.50 1ce4 n HIS 13 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1ce4 n ILE 14 N -5.02 0.00 0.00 1.59 -6.64 -0.69 -5.08 119.36 103.52 1ce4 n ILE 14 Ca 0.06 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.04 1ce4 n ILE 14 Cb 0.26 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.46 1ce4 n ILE 14 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1ce4 n GLY 15 N 0.00 0.00 0.35 3.28 0.00 -0.42 0.11 105.19 108.51 1ce4 n GLY 15 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.00 -2.93 1.61 0.13 -1.94 -2.44 132.00 126.43 1ce4 h PRO 16 Ca 0.00 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.95 1ce4 h PRO 16 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1ce4 h PRO 16 CO 0.00 -0.00 1.01 0.41 -0.23 0.00 0.00 178.00 179.19 1ce4 n GLY 17 N -1.59 2.34 0.20 1.56 0.00 0.12 -4.71 105.19 103.11 1ce4 n GLY 17 Ca 0.14 -0.64 0.08 0.00 0.00 0.00 0.00 46.02 45.61 1ce4 n GLY 17 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ce4 h ARG 18 N 5.38 0.00 -0.26 1.61 1.12 -1.65 -0.09 114.38 120.49 1ce4 h ARG 18 Ca 0.23 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.10 1ce4 h ARG 18 Cb 0.49 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.45 1ce4 h ARG 18 CO 0.78 0.00 0.00 0.00 -3.11 0.00 0.00 179.97 177.64 1ce4 n ALA 19 N -1.63 2.25 0.56 2.80 0.00 -1.26 -4.08 120.51 119.15 1ce4 n ALA 19 Ca -0.01 -1.31 0.07 0.00 0.00 0.00 0.00 53.44 52.18 1ce4 n ALA 19 Cb 0.35 -0.38 0.05 0.00 0.00 0.00 0.00 19.45 19.47 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 0.12 0.00 0.00 0.00 3.72 -0.05 -4.80 117.46 116.45 1ce4 n PHE 20 Ca 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 1ce4 n PHE 20 Cb 0.46 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 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 0.65 0.00 0.00 1.38 4.02 -1.24 -4.88 117.16 117.09 1ce4 n TYR 21 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.97 1ce4 n TYR 21 Cb 0.33 -0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.58 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 -1.01 -0.83 0.03 -0.72 -2.24 -1.26 -4.42 114.28 103.83 1ce4 n THR 22 Ca 0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 1ce4 n THR 22 Cb 0.35 -0.16 -0.05 0.00 -2.10 0.00 0.00 70.33 68.37 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 0.00 -0.95 4.28 1.35 -1.95 0.33 112.91 115.97 1ce4 h THR 23 Ca 0.00 0.00 0.33 0.00 -0.55 0.00 0.00 66.41 66.19 1ce4 h THR 23 Cb 0.00 0.00 -0.17 0.00 -1.73 0.00 0.00 68.15 66.25 1ce4 h THR 23 CO 0.00 0.00 0.27 0.61 -0.25 0.00 0.00 175.52 176.15 1ce4 n GLY 24 N -1.23 -1.01 0.10 5.82 0.00 -1.26 -1.13 105.19 106.49 1ce4 n GLY 24 Ca -0.04 0.85 -0.15 0.00 0.00 0.00 0.00 46.02 46.68 1ce4 n GLY 24 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ce4 h GLU 25 N 0.00 0.18 -0.37 1.61 3.07 -0.97 -0.02 114.58 118.09 1ce4 h GLU 25 Ca 0.69 -0.19 0.07 0.00 -0.50 0.00 0.00 59.36 59.43 1ce4 h GLU 25 Cb 1.67 0.05 -0.07 0.00 -0.84 0.00 0.00 28.75 29.56 1ce4 h GLU 25 CO -0.82 0.92 -0.06 0.82 -1.40 0.00 0.00 179.01 178.47 1ce4 h ILE 26 N -0.48 0.66 0.15 3.13 2.04 0.20 0.22 117.51 123.43 1ce4 h ILE 26 Ca -0.03 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1ce4 h ILE 26 Cb 1.01 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1ce4 h ILE 26 CO 0.05 0.01 -0.07 0.40 0.00 0.00 0.00 178.15 178.53 1ce4 h ILE 27 N 0.03 0.97 -0.58 -0.67 5.03 -1.21 0.17 117.51 121.25 1ce4 h ILE 27 Ca 0.18 -0.61 0.10 0.00 -0.12 0.00 0.00 64.86 64.41 1ce4 h ILE 27 Cb 0.26 1.35 -0.11 0.00 -3.03 0.00 0.00 36.82 35.29 1ce4 h ILE 27 CO -0.35 0.14 -0.35 1.23 -0.68 0.00 0.00 178.15 178.14 1ce4 h GLY 28 N -0.50 -0.18 0.42 5.37 0.00 -0.66 0.20 103.07 107.72 1ce4 h GLY 28 Ca -0.02 0.46 0.05 0.00 0.00 0.00 0.00 47.33 47.82 1ce4 h GLY 28 CO 0.03 -0.20 -0.11 -1.80 0.00 0.00 0.00 176.54 174.46 1ce4 h ASP 29 N -0.18 -0.38 -0.63 0.19 3.58 -0.56 -0.70 116.42 117.73 1ce4 h ASP 29 Ca 0.22 0.09 0.13 0.00 0.42 0.00 0.00 57.03 57.89 1ce4 h ASP 29 Cb 0.55 0.21 -0.10 0.00 1.72 0.00 0.00 39.33 41.72 1ce4 h ASP 29 CO -0.67 -0.15 0.09 0.40 -2.88 0.00 0.00 179.24 176.03 1ce4 h ILE 30 N -0.09 0.56 -0.14 2.25 2.04 -0.21 0.19 117.51 122.11 1ce4 h ILE 30 Ca 0.12 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.94 1ce4 h ILE 30 Cb 0.27 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1ce4 h ILE 30 CO -0.28 0.04 -0.04 0.03 0.00 0.00 0.00 178.15 177.89 1ce4 h ARG 31 N 0.21 -0.01 -0.86 2.37 2.47 0.57 -2.00 114.38 117.13 1ce4 h ARG 31 Ca 0.34 0.00 0.12 0.00 -1.26 0.00 0.00 59.98 59.18 1ce4 h ARG 31 Cb 0.54 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 28.78 1ce4 h ARG 31 CO -0.47 -0.01 0.48 1.96 0.56 0.00 0.00 179.97 182.49 1ce4 h GLN 32 N -0.01 0.73 -0.71 0.04 4.20 -0.66 -3.08 115.11 115.62 1ce4 h GLN 32 Ca 0.07 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1ce4 h GLN 32 Cb 0.12 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.73 1ce4 h GLN 32 CO -0.16 0.48 0.00 0.00 -0.67 0.00 0.00 178.83 178.49 1ce4 n ALA 33 N -2.39 1.99 0.53 3.87 0.00 0.64 -1.09 120.51 124.05 1ce4 n ALA 33 Ca 0.16 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.65 1ce4 n ALA 33 Cb 0.35 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.78 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 0.23 0.00 0.00 0.00 8.25 -1.17 -4.84 115.22 117.69 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 0.18 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.29 1ce4 n HIS 34 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98