#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 -0.39 0.00 2.01 -1.26 -4.90 115.64 111.11 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 0.28 0.00 0.01 0.00 0.00 72.50 71.79 1ce4 s THR 2 CO 0.00 0.00 0.60 -1.14 -0.69 0.00 0.00 174.62 173.39 1ce4 n ARG 3 N -0.02 0.84 0.03 4.92 3.00 -1.26 -4.03 116.66 120.14 1ce4 n ARG 3 Ca -0.14 -3.31 -0.14 0.00 -0.00 0.00 0.00 57.85 54.27 1ce4 n ARG 3 Cb 0.62 -1.40 -0.14 0.00 0.00 0.00 0.00 32.46 31.54 1ce4 n ARG 3 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1ce4 h PRO 4 N 3.66 0.14 0.00 -0.14 0.13 -1.90 -3.41 132.00 130.49 1ce4 h PRO 4 Ca 0.08 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1ce4 h PRO 4 Cb 0.90 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1ce4 h PRO 4 CO 0.48 0.91 0.00 0.27 -0.23 0.00 0.00 178.00 179.44 1ce4 n ASN 5 N -3.31 0.00 0.00 1.44 0.23 -1.17 -4.65 115.26 107.80 1ce4 n ASN 5 Ca -0.17 0.55 0.00 0.00 -0.53 0.00 0.00 54.58 54.43 1ce4 n ASN 5 Cb 1.03 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 38.69 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 -0.88 0.00 0.00 0.53 0.23 -1.26 -2.78 115.26 111.11 1ce4 n ASN 6 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 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 -0.46 -0.93 0.00 0.00 177.26 175.87 1ce4 n ASN 7 N 1.87 0.00 0.00 0.53 2.04 -1.26 -4.61 115.26 113.83 1ce4 n ASN 7 Ca 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 1ce4 n ASN 7 Cb 0.00 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.25 1ce4 n ASN 7 CO 0.00 0.00 0.00 0.41 -0.44 0.00 0.00 177.26 177.23 1ce4 n THR 8 N 0.00 0.00 -1.13 5.53 -1.04 -1.24 -4.23 114.28 112.17 1ce4 n THR 8 Ca 0.00 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.67 1ce4 n THR 8 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 1ce4 n THR 8 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1ce4 n ARG 9 N 0.00 2.44 -1.55 -2.82 0.00 -1.12 -4.96 116.66 108.65 1ce4 n ARG 9 Ca 0.00 -1.91 -0.38 0.00 -0.00 0.00 0.00 57.85 55.56 1ce4 n ARG 9 Cb 0.00 -2.78 0.04 0.00 0.00 0.00 0.00 32.46 29.72 1ce4 n ARG 9 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1ce4 n LYS 10 N 5.04 0.74 -2.58 -0.14 2.85 -1.26 -4.14 118.16 118.67 1ce4 n LYS 10 Ca 0.55 0.29 -0.06 0.00 -1.05 0.00 0.00 58.31 58.04 1ce4 n LYS 10 Cb 0.26 -1.96 0.03 0.00 -0.65 0.00 0.00 35.03 32.71 1ce4 n LYS 10 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1ce4 n SER 11 N -0.17 -5.33 -0.28 -5.58 2.88 -1.26 -4.99 113.62 98.89 1ce4 n SER 11 Ca 0.13 -0.29 -0.04 0.00 -1.33 0.00 0.00 58.87 57.33 1ce4 n SER 11 Cb 0.47 -3.66 0.10 0.00 -0.75 0.00 0.00 64.21 60.37 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 -0.29 1.25 0.00 2.46 2.04 -1.95 -3.42 117.51 117.61 1ce4 h ILE 12 Ca -0.23 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 64.88 1ce4 h ILE 12 Cb 1.12 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1ce4 h ILE 12 CO 0.25 0.31 0.00 0.00 0.00 0.00 0.00 178.15 178.71 1ce4 n HIS 13 N -4.30 0.00 -1.28 1.37 1.44 -1.26 -5.04 115.22 106.15 1ce4 n HIS 13 Ca 0.08 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.79 1ce4 n HIS 13 Cb 0.16 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.27 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 -4.93 119.36 115.86 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 -1.24 0.35 7.39 0.00 -1.26 -4.91 105.19 105.52 1ce4 n GLY 15 Ca 0.00 0.42 -0.04 0.00 0.00 0.00 0.00 46.02 46.40 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 1.22 -2.34 1.61 0.13 -2.07 -3.16 132.00 127.38 1ce4 h PRO 16 Ca 0.00 -0.17 -0.11 0.00 -0.87 0.00 0.00 66.00 64.85 1ce4 h PRO 16 Cb 0.00 -0.22 -0.04 0.00 0.13 0.00 0.00 31.00 30.87 1ce4 h PRO 16 CO 0.00 0.93 -0.05 0.41 -0.23 0.00 0.00 178.00 179.06 1ce4 n GLY 17 N -1.04 2.18 0.30 1.56 0.00 -1.26 -4.66 105.19 102.28 1ce4 n GLY 17 Ca 0.08 -0.67 0.01 0.00 0.00 0.00 0.00 46.02 45.45 1ce4 n GLY 17 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ce4 h ARG 18 N 3.93 -0.02 -0.24 1.61 2.47 -1.94 0.17 114.38 120.36 1ce4 h ARG 18 Ca 0.11 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 1ce4 h ARG 18 Cb 0.91 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.23 1ce4 h ARG 18 CO 0.30 -0.01 0.00 0.00 0.56 0.00 0.00 179.97 180.82 1ce4 n ALA 19 N -3.30 2.20 0.34 0.04 0.00 -1.26 -1.67 120.51 116.86 1ce4 n ALA 19 Ca 0.10 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.60 1ce4 n ALA 19 Cb 0.40 -1.00 0.07 0.00 0.00 0.00 0.00 19.45 18.92 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 -0.30 0.11 0.00 0.00 3.72 0.05 -4.83 117.46 116.21 1ce4 n PHE 20 Ca 0.00 -0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1ce4 n PHE 20 Cb 0.06 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 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 0.63 0.00 -1.23 1.38 4.02 -0.67 -4.89 117.16 116.40 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 0.32 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.64 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 -0.79 -6.23 -0.05 -0.72 -2.24 -1.26 -4.24 114.28 98.75 1ce4 n THR 22 Ca 0.00 1.75 -0.09 0.00 -2.27 0.00 0.00 64.05 63.44 1ce4 n THR 22 Cb 0.00 -3.24 -0.03 0.00 -2.10 0.00 0.00 70.33 64.96 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 2.11 0.28 -0.96 4.28 1.35 -1.97 0.36 112.91 118.35 1ce4 h THR 23 Ca 0.00 0.00 0.35 0.00 -0.55 0.00 0.00 66.41 66.21 1ce4 h THR 23 Cb 0.00 0.28 -0.11 0.00 -1.73 0.00 0.00 68.15 66.58 1ce4 h THR 23 CO 0.00 0.00 0.59 0.61 -0.25 0.00 0.00 175.52 176.47 1ce4 n GLY 24 N -1.41 -0.61 0.00 5.82 0.00 -1.26 0.21 105.19 107.94 1ce4 n GLY 24 Ca -0.01 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.58 1ce4 n GLY 24 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ce4 n GLU 25 N -4.33 0.00 0.26 1.61 2.13 0.12 -3.04 120.64 117.39 1ce4 n GLU 25 Ca 0.30 0.40 -0.16 0.00 0.66 0.00 0.00 57.16 58.36 1ce4 n GLU 25 Cb 1.12 -0.95 -0.08 0.00 0.27 0.00 0.00 31.44 31.79 1ce4 n GLU 25 CO 0.00 0.00 0.00 -0.84 -0.41 0.00 0.00 177.13 175.88 1ce4 h ILE 26 N 0.00 0.57 -0.09 6.31 3.07 -0.50 0.35 117.51 127.22 1ce4 h ILE 26 Ca 0.00 -0.00 -0.20 0.00 1.55 0.00 0.00 64.86 66.21 1ce4 h ILE 26 Cb 0.00 0.57 0.00 0.00 -0.27 0.00 0.00 36.82 37.12 1ce4 h ILE 26 CO 0.00 0.00 -0.77 0.40 -1.05 0.00 0.00 178.15 176.73 1ce4 h ILE 27 N -0.59 1.35 -0.87 0.16 5.03 -0.47 -1.98 117.51 120.13 1ce4 h ILE 27 Ca -0.06 -2.12 0.14 0.00 -0.12 0.00 0.00 64.86 62.70 1ce4 h ILE 27 Cb 0.45 2.10 -0.09 0.00 -3.03 0.00 0.00 36.82 36.26 1ce4 h ILE 27 CO 0.10 0.65 0.48 1.23 -0.68 0.00 0.00 178.15 179.93 1ce4 h GLY 28 N 1.05 1.42 0.95 5.37 0.00 -0.65 0.73 103.07 111.95 1ce4 h GLY 28 Ca -0.04 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 1ce4 h GLY 28 CO 0.14 0.02 -0.21 -1.80 0.00 0.00 0.00 176.54 174.69 1ce4 h ASP 29 N 0.71 -0.51 -0.67 0.19 1.82 -0.12 0.16 116.42 118.00 1ce4 h ASP 29 Ca 0.46 0.03 0.11 0.00 -0.39 0.00 0.00 57.03 57.24 1ce4 h ASP 29 Cb 0.59 0.14 -0.08 0.00 0.68 0.00 0.00 39.33 40.67 1ce4 h ASP 29 CO -0.33 -0.34 0.25 0.40 -1.61 0.00 0.00 179.24 177.61 1ce4 h ILE 30 N -0.56 0.72 0.16 2.25 2.04 -0.84 0.16 117.51 121.44 1ce4 h ILE 30 Ca -0.05 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 1ce4 h ILE 30 Cb 0.44 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1ce4 h ILE 30 CO 0.06 0.08 -0.08 0.03 0.00 0.00 0.00 178.15 178.24 1ce4 h ARG 31 N 0.42 -0.21 -0.98 2.37 -0.00 -0.76 -2.73 114.38 112.49 1ce4 h ARG 31 Ca 0.35 0.01 0.21 0.00 -0.50 0.00 0.00 59.98 60.05 1ce4 h ARG 31 Cb 0.47 0.05 -0.09 0.00 0.00 0.00 0.00 29.97 30.40 1ce4 h ARG 31 CO -0.35 -0.02 0.62 1.96 0.00 0.00 0.00 179.97 182.18 1ce4 h GLN 32 N -0.35 0.57 0.00 0.04 4.20 -0.17 0.65 115.11 120.05 1ce4 h GLN 32 Ca -0.02 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1ce4 h GLN 32 Cb 0.28 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1ce4 h GLN 32 CO 0.04 0.38 0.00 0.00 -0.67 0.00 0.00 178.83 178.57 1ce4 n ALA 33 N -2.41 2.41 -0.91 3.87 0.00 0.51 -3.29 120.51 120.69 1ce4 n ALA 33 Ca 0.23 -0.14 0.08 0.00 0.00 0.00 0.00 53.44 53.61 1ce4 n ALA 33 Cb 0.67 -1.46 0.33 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 -1.27 1.48 1.74 0.00 8.25 0.22 -5.06 115.22 120.58 1ce4 n HIS 34 Ca 0.14 -0.78 0.15 0.00 -0.26 0.00 0.00 57.72 56.96 1ce4 n HIS 34 Cb 0.22 -0.39 0.73 0.00 1.12 0.00 0.00 29.99 31.66 1ce4 n HIS 34 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98