#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 -0.45 0.00 2.01 -1.26 -4.94 115.64 111.00 1ce4 s THR 2 Ca 0.00 0.00 0.09 0.00 0.31 0.00 0.00 61.69 62.09 1ce4 s THR 2 Cb 0.00 -1.00 0.32 0.00 0.01 0.00 0.00 72.50 71.83 1ce4 s THR 2 CO 0.00 0.00 0.75 -1.14 -0.69 0.00 0.00 174.62 173.54 1ce4 n ARG 3 N -0.22 1.64 -3.49 4.92 3.00 -1.26 -4.29 116.66 116.97 1ce4 n ARG 3 Ca -0.17 -3.85 -0.22 0.00 -0.00 0.00 0.00 57.85 53.61 1ce4 n ARG 3 Cb 0.64 -1.80 -0.01 0.00 0.00 0.00 0.00 32.46 31.29 1ce4 n ARG 3 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1ce4 s PRO 4 N -2.46 3.36 0.00 -0.14 0.04 -1.26 -4.79 135.00 129.76 1ce4 s PRO 4 Ca 0.41 -0.55 0.00 0.00 0.04 0.00 0.00 61.00 60.90 1ce4 s PRO 4 Cb 0.28 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 32.09 1ce4 s PRO 4 CO -0.09 0.15 0.00 0.27 0.04 0.00 0.00 177.00 177.37 1ce4 n ASN 5 N -1.71 0.00 -3.92 6.66 2.04 -1.26 -4.81 115.26 112.25 1ce4 n ASN 5 Ca -0.04 0.00 -0.29 0.00 -0.44 0.00 0.00 54.58 53.80 1ce4 n ASN 5 Cb 0.57 0.00 -0.00 0.00 -2.53 0.00 0.00 39.78 37.82 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 0.00 -2.10 -1.96 0.53 0.23 -1.26 -0.74 115.26 109.96 1ce4 n ASN 6 Ca 0.00 -0.85 -0.18 0.00 -0.53 0.00 0.00 54.58 53.02 1ce4 n ASN 6 Cb 0.00 -1.02 -0.01 0.00 -2.08 0.00 0.00 39.78 36.66 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 -1.16 -5.15 -0.12 0.53 4.13 -1.26 -4.90 115.26 107.32 1ce4 n ASN 7 Ca -0.10 0.02 0.13 0.00 1.68 0.00 0.00 54.58 56.32 1ce4 n ASN 7 Cb 0.38 -4.23 0.50 0.00 -1.54 0.00 0.00 39.78 34.89 1ce4 n ASN 7 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ce4 h THR 8 N 0.00 0.86 0.00 3.41 1.03 -1.34 0.11 112.91 116.98 1ce4 h THR 8 Ca -0.41 -0.15 0.00 0.00 -0.01 0.00 0.00 66.41 65.84 1ce4 h THR 8 Cb 1.30 0.40 0.00 0.00 -1.07 0.00 0.00 68.15 68.78 1ce4 h THR 8 CO 0.50 0.08 0.00 -2.11 -0.01 0.00 0.00 175.52 173.97 1ce4 n ARG 9 N -4.47 0.10 0.00 0.00 1.85 -1.26 -5.05 116.66 107.82 1ce4 n ARG 9 Ca 0.12 0.23 0.00 0.00 -1.00 0.00 0.00 57.85 57.20 1ce4 n ARG 9 Cb 0.43 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.34 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 -1.37 0.00 -2.35 2.89 4.01 0.37 -4.99 118.16 116.73 1ce4 n LYS 10 Ca 0.04 0.00 -0.06 0.00 -0.51 0.00 0.00 58.31 57.78 1ce4 n LYS 10 Cb 0.10 0.00 0.03 0.00 -0.51 0.00 0.00 35.03 34.65 1ce4 n LYS 10 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 1ce4 n SER 11 N -2.32 -2.94 0.23 4.39 3.41 -1.26 -4.75 113.62 110.38 1ce4 n SER 11 Ca 0.00 -0.25 0.10 0.00 -0.26 0.00 0.00 58.87 58.46 1ce4 n SER 11 Cb 0.00 -2.28 0.52 0.00 -0.26 0.00 0.00 64.21 62.18 1ce4 n SER 11 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1ce4 h ILE 12 N -0.56 0.57 0.00 -1.33 1.08 -1.97 -3.43 117.51 111.87 1ce4 h ILE 12 Ca -0.23 -1.01 0.00 0.00 -0.39 0.00 0.00 64.86 63.23 1ce4 h ILE 12 Cb 1.12 1.67 0.00 0.00 -3.07 0.00 0.00 36.82 36.55 1ce4 h ILE 12 CO 0.18 0.21 0.00 0.00 -0.69 0.00 0.00 178.15 177.84 1ce4 n HIS 13 N -3.45 0.00 -0.94 1.37 1.44 -1.26 -5.00 115.22 107.38 1ce4 n HIS 13 Ca -0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1ce4 n HIS 13 Cb 0.39 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.50 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 0.00 0.00 0.61 2.08 -1.26 -4.85 119.36 115.93 1ce4 n ILE 14 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1ce4 n ILE 14 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 1ce4 n ILE 14 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ce4 n GLY 15 N 0.00 -0.04 0.38 7.39 0.00 -1.26 -4.89 105.19 106.76 1ce4 n GLY 15 Ca 0.00 0.06 0.15 0.00 0.00 0.00 0.00 46.02 46.22 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 0.43 -0.66 1.61 0.13 -2.06 -0.10 132.00 131.34 1ce4 h PRO 16 Ca 0.00 -0.03 -0.22 0.00 -0.87 0.00 0.00 66.00 64.89 1ce4 h PRO 16 Cb 0.00 -0.10 -0.13 0.00 0.13 0.00 0.00 31.00 30.90 1ce4 h PRO 16 CO 0.00 0.29 0.23 0.41 -0.23 0.00 0.00 178.00 178.70 1ce4 n GLY 17 N -1.51 3.94 0.37 1.56 0.00 -1.26 -4.78 105.19 103.51 1ce4 n GLY 17 Ca 0.14 -1.04 0.18 0.00 0.00 0.00 0.00 46.02 45.29 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 2.21 0.56 0.00 1.61 -0.00 -1.34 -0.80 114.38 116.63 1ce4 h ARG 18 Ca 0.26 -0.03 0.00 0.00 -0.00 0.00 0.00 59.98 60.21 1ce4 h ARG 18 Cb 2.20 -0.13 0.00 0.00 -0.00 0.00 0.00 29.97 32.05 1ce4 h ARG 18 CO 0.67 0.37 0.00 0.00 -0.00 0.00 0.00 179.97 181.01 1ce4 n ALA 19 N -2.39 2.05 1.11 0.08 0.00 -1.26 -0.69 120.51 119.41 1ce4 n ALA 19 Ca 0.24 -0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.71 1ce4 n ALA 19 Cb 0.72 -1.32 0.25 0.00 0.00 0.00 0.00 19.45 19.10 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 -1.26 0.00 0.00 0.00 -1.74 -0.30 -4.96 117.46 109.20 1ce4 n PHE 20 Ca 0.10 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.99 1ce4 n PHE 20 Cb 0.15 -0.14 0.00 0.00 1.52 0.00 0.00 39.48 41.00 1ce4 n PHE 20 CO 0.00 0.00 0.00 0.66 -0.56 0.00 0.00 176.76 176.86 1ce4 n TYR 21 N -0.97 0.00 -1.19 2.97 4.01 0.13 -3.96 117.16 118.15 1ce4 n TYR 21 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 1ce4 n TYR 21 Cb 0.35 -0.41 0.00 0.00 -0.31 0.00 0.00 39.34 38.98 1ce4 n TYR 21 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1ce4 n THR 22 N 0.77 -6.54 0.07 -0.72 -2.24 -1.26 -4.44 114.28 99.92 1ce4 n THR 22 Ca 0.00 1.64 -0.14 0.00 -2.27 0.00 0.00 64.05 63.29 1ce4 n THR 22 Cb 0.00 -3.33 -0.07 0.00 -2.10 0.00 0.00 70.33 64.83 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 2.01 0.15 -0.71 4.28 1.35 -2.00 0.20 112.91 118.19 1ce4 h THR 23 Ca 0.00 0.00 0.29 0.00 -0.55 0.00 0.00 66.41 66.15 1ce4 h THR 23 Cb 0.00 0.15 -0.13 0.00 -1.73 0.00 0.00 68.15 66.44 1ce4 h THR 23 CO 0.00 0.00 0.36 0.61 -0.25 0.00 0.00 175.52 176.24 1ce4 n GLY 24 N -1.45 -0.56 0.11 5.82 0.00 -1.26 -0.37 105.19 107.48 1ce4 n GLY 24 Ca -0.06 0.58 -0.04 0.00 0.00 0.00 0.00 46.02 46.50 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 -0.24 -0.58 1.61 4.57 -0.83 -0.53 114.58 118.59 1ce4 h GLU 25 Ca 0.59 0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.87 1ce4 h GLU 25 Cb 1.55 0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 30.13 1ce4 h GLU 25 CO -0.55 -0.16 0.23 -0.84 -1.18 0.00 0.00 179.01 176.51 1ce4 h ILE 26 N -0.60 0.81 -0.20 2.32 3.07 -1.06 0.39 117.51 122.24 1ce4 h ILE 26 Ca -0.03 -0.15 -0.11 0.00 1.55 0.00 0.00 64.86 66.13 1ce4 h ILE 26 Cb 0.19 0.35 -0.00 0.00 -0.27 0.00 0.00 36.82 37.09 1ce4 h ILE 26 CO 0.04 0.08 -0.29 0.40 -1.05 0.00 0.00 178.15 177.32 1ce4 h ILE 27 N 0.43 1.33 -0.99 0.16 5.03 -0.89 -0.86 117.51 121.71 1ce4 h ILE 27 Ca 0.29 -1.50 0.21 0.00 -0.12 0.00 0.00 64.86 63.73 1ce4 h ILE 27 Cb 0.32 1.81 -0.10 0.00 -3.03 0.00 0.00 36.82 35.82 1ce4 h ILE 27 CO -0.27 0.46 0.62 1.23 -0.68 0.00 0.00 178.15 179.51 1ce4 h GLY 28 N 0.24 1.55 0.89 5.37 0.00 -0.05 0.15 103.07 111.21 1ce4 h GLY 28 Ca 0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1ce4 h GLY 28 CO 0.07 -0.08 -0.10 -1.80 0.00 0.00 0.00 176.54 174.63 1ce4 h ASP 29 N 0.63 -0.24 -0.44 0.19 1.82 -0.03 -0.87 116.42 117.47 1ce4 h ASP 29 Ca 0.57 -0.08 0.09 0.00 -0.39 0.00 0.00 57.03 57.22 1ce4 h ASP 29 Cb 1.07 0.06 -0.09 0.00 0.68 0.00 0.00 39.33 41.05 1ce4 h ASP 29 CO -0.34 -0.07 -0.23 0.40 -1.61 0.00 0.00 179.24 177.38 1ce4 h ILE 30 N -0.40 0.35 -0.99 2.25 2.04 -0.23 0.90 117.51 121.44 1ce4 h ILE 30 Ca -0.03 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.89 1ce4 h ILE 30 Cb 0.30 0.35 -0.06 0.00 -0.74 0.00 0.00 36.82 36.67 1ce4 h ILE 30 CO 0.05 0.00 0.64 0.03 0.00 0.00 0.00 178.15 178.87 1ce4 h ARG 31 N -0.14 1.14 -0.32 2.37 3.08 -0.60 -0.16 114.38 119.74 1ce4 h ARG 31 Ca 0.21 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.20 1ce4 h ARG 31 Cb 0.47 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 1ce4 h ARG 31 CO -0.53 0.75 0.19 1.96 -1.07 0.00 0.00 179.97 181.28 1ce4 h GLN 32 N 1.17 0.39 -0.46 0.04 4.20 -0.61 -3.34 115.11 116.49 1ce4 h GLN 32 Ca 0.42 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.11 1ce4 h GLN 32 Cb 0.15 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1ce4 h GLN 32 CO -0.16 0.26 0.00 0.00 -0.67 0.00 0.00 178.83 178.25 1ce4 n ALA 33 N -2.20 2.09 1.15 3.87 0.00 0.26 -2.49 120.51 123.20 1ce4 n ALA 33 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.55 1ce4 n ALA 33 Cb 0.04 -1.00 0.22 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.07 0.00 0.00 0.00 8.25 -1.23 -5.04 115.22 117.14 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 0.12 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.17 1ce4 n HIS 34 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98