#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ce4 s THR 2 N 0.00 0.00 -0.78 0.00 2.01 0.31 -4.97 115.64 112.21 1ce4 s THR 2 Ca 0.00 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 61.98 1ce4 s THR 2 Cb 0.00 -1.00 0.39 0.00 0.01 0.00 0.00 72.50 71.90 1ce4 s THR 2 CO 0.00 0.00 2.02 -1.14 -0.69 0.00 0.00 174.62 174.81 1ce4 n ARG 3 N -0.04 2.74 0.00 4.92 0.63 -1.26 -3.98 116.66 119.66 1ce4 n ARG 3 Ca -0.13 -3.45 0.00 0.00 -0.92 0.00 0.00 57.85 53.34 1ce4 n ARG 3 Cb 0.62 -2.28 0.00 0.00 0.45 0.00 0.00 32.46 31.25 1ce4 n ARG 3 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1ce4 n PRO 4 N -0.67 0.00 0.00 -0.14 -0.04 -1.26 -4.71 135.00 128.18 1ce4 n PRO 4 Ca 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 64.03 1ce4 n PRO 4 Cb 0.39 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.85 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 -0.32 115.26 117.44 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 0.04 0.00 0.00 0.53 0.23 -1.26 -0.59 115.26 114.21 1ce4 n ASN 6 Ca 0.00 0.21 0.00 0.00 -0.53 0.00 0.00 54.58 54.26 1ce4 n ASN 6 Cb 0.00 -0.21 0.00 0.00 -2.08 0.00 0.00 39.78 37.49 1ce4 n ASN 6 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1ce4 n ASN 7 N -1.15 0.00 -3.86 0.53 5.03 0.56 -5.08 115.26 111.29 1ce4 n ASN 7 Ca 0.00 -1.00 -0.31 0.00 0.87 0.00 0.00 54.58 54.14 1ce4 n ASN 7 Cb 0.15 0.00 0.01 0.00 -1.02 0.00 0.00 39.78 38.92 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 0.00 -2.04 0.06 3.41 -1.04 0.24 -4.93 114.28 109.98 1ce4 n THR 8 Ca 0.00 -0.32 -0.03 0.00 -2.04 0.00 0.00 64.05 61.66 1ce4 n THR 8 Cb 0.30 -1.76 -0.01 0.00 -1.82 0.00 0.00 70.33 67.04 1ce4 n THR 8 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1ce4 h ARG 9 N -0.86 -0.19 -4.58 -2.82 3.08 -1.87 -3.34 114.38 103.79 1ce4 h ARG 9 Ca -0.52 0.01 -0.62 0.00 0.07 0.00 0.00 59.98 58.92 1ce4 h ARG 9 Cb 1.04 0.04 0.03 0.00 0.08 0.00 0.00 29.97 31.17 1ce4 h ARG 9 CO 0.36 -0.13 2.20 1.63 -1.07 0.00 0.00 179.97 182.96 1ce4 n LYS 10 N -3.62 1.60 0.00 0.04 4.76 -1.26 -3.97 118.16 115.71 1ce4 n LYS 10 Ca -0.02 -1.97 0.00 0.00 -2.87 0.00 0.00 58.31 53.44 1ce4 n LYS 10 Cb 0.08 -3.03 0.00 0.00 -1.84 0.00 0.00 35.03 30.23 1ce4 n LYS 10 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1ce4 n SER 11 N 8.20 0.00 0.00 4.39 2.88 -1.25 -4.88 113.62 122.95 1ce4 n SER 11 Ca 0.49 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 1ce4 n SER 11 Cb 0.41 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 1ce4 n SER 11 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1ce4 n ILE 12 N 0.00 0.00 -0.40 2.46 5.41 -1.25 -4.97 119.36 120.61 1ce4 n ILE 12 Ca 0.00 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.65 1ce4 n ILE 12 Cb 0.00 0.37 -0.08 0.00 -0.71 0.00 0.00 39.64 39.22 1ce4 n ILE 12 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 176.55 177.67 1ce4 h HIS 13 N 0.00 -1.79 0.00 1.39 2.07 -1.97 -3.38 115.15 111.48 1ce4 h HIS 13 Ca 0.00 0.12 0.00 0.00 -2.85 0.00 0.00 60.37 57.64 1ce4 h HIS 13 Cb 0.01 0.91 0.00 0.00 2.57 0.00 0.00 27.41 30.90 1ce4 h HIS 13 CO 0.00 -0.38 0.00 -0.89 -3.07 0.00 0.00 177.93 173.59 1ce4 n ILE 14 N -5.29 0.00 0.00 6.12 -0.00 -1.26 -5.06 119.36 113.88 1ce4 n ILE 14 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.78 1ce4 n ILE 14 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.92 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 3.90 1.59 0.13 7.39 0.00 -1.26 -4.95 105.19 111.99 1ce4 n GLY 15 Ca 0.00 -0.33 -0.07 0.00 0.00 0.00 0.00 46.02 45.62 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 0.09 -2.23 1.61 0.13 -1.97 -1.51 132.00 128.13 1ce4 h PRO 16 Ca 0.00 -0.01 -0.52 0.00 -0.87 0.00 0.00 66.00 64.60 1ce4 h PRO 16 Cb 0.00 -0.02 -0.13 0.00 0.13 0.00 0.00 31.00 30.98 1ce4 h PRO 16 CO 0.00 0.06 1.02 0.41 -0.23 0.00 0.00 178.00 179.26 1ce4 n GLY 17 N -1.22 4.35 0.26 1.56 0.00 -1.26 -4.89 105.19 104.00 1ce4 n GLY 17 Ca -0.00 -1.80 0.06 0.00 0.00 0.00 0.00 46.02 44.28 1ce4 n GLY 17 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ce4 n ARG 18 N 1.53 -0.06 0.00 1.61 0.00 -0.57 -0.43 116.66 118.73 1ce4 n ARG 18 Ca 0.53 1.13 0.08 0.00 -0.00 0.00 0.00 57.85 59.59 1ce4 n ARG 18 Cb 0.51 -1.71 0.42 0.00 -0.00 0.00 0.00 32.46 31.68 1ce4 n ARG 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ce4 n ALA 19 N -3.63 1.91 1.54 2.89 0.00 -1.26 -1.50 120.51 120.46 1ce4 n ALA 19 Ca 0.13 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.61 1ce4 n ALA 19 Cb 0.41 -1.27 0.71 0.00 0.00 0.00 0.00 19.45 19.31 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 -1.29 0.00 0.64 0.00 3.72 0.43 -3.14 117.46 117.81 1ce4 n PHE 20 Ca 0.08 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.55 1ce4 n PHE 20 Cb 0.13 0.00 0.35 0.00 -0.94 0.00 0.00 39.48 39.02 1ce4 n PHE 20 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 1ce4 n TYR 21 N -0.99 0.00 0.00 1.38 0.18 -0.56 -4.90 117.16 112.27 1ce4 n TYR 21 Ca 0.18 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.96 1ce4 n TYR 21 Cb 0.08 -0.32 0.00 0.00 -0.38 0.00 0.00 39.34 38.73 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 -1.32 -0.97 0.16 -3.48 -2.24 -1.19 -4.40 114.28 100.84 1ce4 n THR 22 Ca 0.06 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.67 1ce4 n THR 22 Cb 0.12 -0.71 -0.10 0.00 -2.10 0.00 0.00 70.33 67.54 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 -0.76 4.28 1.35 -1.94 0.22 112.91 116.06 1ce4 h THR 23 Ca 0.00 0.00 0.27 0.00 -0.55 0.00 0.00 66.41 66.13 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 0.23 0.61 -0.25 0.00 0.00 175.52 176.11 1ce4 n GLY 24 N -1.51 -0.78 0.13 5.82 0.00 -1.26 -0.43 105.19 107.16 1ce4 n GLY 24 Ca -0.09 0.67 -0.07 0.00 0.00 0.00 0.00 46.02 46.53 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 -0.20 -0.33 1.61 4.81 -0.80 0.26 114.58 119.93 1ce4 h GLU 25 Ca 0.56 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.87 1ce4 h GLU 25 Cb 1.37 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.74 1ce4 h GLU 25 CO -0.64 0.11 -0.04 -0.84 -0.73 0.00 0.00 179.01 176.87 1ce4 h ILE 26 N -0.99 0.72 -0.21 2.32 3.07 -0.96 0.18 117.51 121.64 1ce4 h ILE 26 Ca -0.02 -0.02 -0.00 0.00 1.55 0.00 0.00 64.86 66.37 1ce4 h ILE 26 Cb 0.41 0.66 -0.01 0.00 -0.27 0.00 0.00 36.82 37.61 1ce4 h ILE 26 CO 0.04 0.01 0.12 0.40 -1.05 0.00 0.00 178.15 177.66 1ce4 h ILE 27 N 0.05 1.11 -0.31 0.16 5.03 -0.88 0.88 117.51 123.55 1ce4 h ILE 27 Ca 0.16 -0.30 0.07 0.00 -0.12 0.00 0.00 64.86 64.67 1ce4 h ILE 27 Cb 0.23 0.92 -0.08 0.00 -3.03 0.00 0.00 36.82 34.87 1ce4 h ILE 27 CO -0.30 0.11 -0.24 1.23 -0.68 0.00 0.00 178.15 178.27 1ce4 h GLY 28 N 0.24 -0.09 0.38 5.37 0.00 -0.38 0.39 103.07 108.97 1ce4 h GLY 28 Ca 0.07 0.30 0.07 0.00 0.00 0.00 0.00 47.33 47.77 1ce4 h GLY 28 CO -0.01 -0.20 -0.00 -0.55 0.00 0.00 0.00 176.54 175.77 1ce4 h ASP 29 N -0.21 -0.17 -0.63 0.19 3.32 -0.48 0.29 116.42 118.73 1ce4 h ASP 29 Ca 0.16 0.09 -0.08 0.00 0.02 0.00 0.00 57.03 57.22 1ce4 h ASP 29 Cb 0.46 0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.14 1ce4 h ASP 29 CO -0.44 -0.05 0.09 0.40 -1.72 0.00 0.00 179.24 177.52 1ce4 h ILE 30 N 0.10 1.26 0.20 0.35 2.04 -0.35 -1.78 117.51 119.33 1ce4 h ILE 30 Ca 0.19 -1.05 0.01 0.00 1.00 0.00 0.00 64.86 65.01 1ce4 h ILE 30 Cb 0.27 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1ce4 h ILE 30 CO -0.32 0.39 -0.21 0.03 0.00 0.00 0.00 178.15 178.04 1ce4 h ARG 31 N 1.00 -0.44 -0.98 2.37 2.47 0.33 -2.56 114.38 116.58 1ce4 h ARG 31 Ca 0.20 0.03 0.26 0.00 -1.26 0.00 0.00 59.98 59.20 1ce4 h ARG 31 Cb 0.45 0.10 -0.06 0.00 -1.65 0.00 0.00 29.97 28.81 1ce4 h ARG 31 CO 0.02 -0.29 0.67 1.96 0.56 0.00 0.00 179.97 182.88 1ce4 h GLN 32 N -0.45 0.22 0.00 0.04 4.20 -0.82 -0.56 115.11 117.74 1ce4 h GLN 32 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1ce4 h GLN 32 Cb 0.43 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1ce4 h GLN 32 CO -0.06 0.15 0.00 0.00 -0.67 0.00 0.00 178.83 178.25 1ce4 n ALA 33 N -2.60 2.15 -0.32 3.87 0.00 -0.68 -0.53 120.51 122.41 1ce4 n ALA 33 Ca 0.22 -0.10 -0.05 0.00 0.00 0.00 0.00 53.44 53.51 1ce4 n ALA 33 Cb 0.90 -1.37 0.01 0.00 0.00 0.00 0.00 19.45 18.99 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 -1.34 0.46 1.74 0.00 8.25 -0.22 -5.02 115.22 119.10 1ce4 n HIS 34 Ca 0.10 -1.16 0.15 0.00 -0.26 0.00 0.00 57.72 56.55 1ce4 n HIS 34 Cb 0.20 -0.57 0.73 0.00 1.12 0.00 0.00 29.99 31.47 1ce4 n HIS 34 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98