#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 0.01 -0.53 0.00 2.01 -1.26 -4.55 115.64 111.32 1ce4 s THR 2 Ca 0.00 -0.09 0.07 0.00 0.31 0.00 0.00 61.69 61.98 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 -0.05 0.84 -1.14 -0.69 0.00 0.00 174.62 173.58 1ce4 n ARG 3 N 0.15 2.48 -1.83 4.92 0.00 -1.26 -4.56 116.66 116.56 1ce4 n ARG 3 Ca -0.18 -4.41 -0.06 0.00 -0.00 0.00 0.00 57.85 53.20 1ce4 n ARG 3 Cb 0.62 -2.06 0.01 0.00 0.00 0.00 0.00 32.46 31.02 1ce4 n ARG 3 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1ce4 n PRO 4 N 0.14 1.07 -2.65 -0.14 -0.04 -1.26 -4.79 135.00 127.34 1ce4 n PRO 4 Ca 0.29 -0.91 -0.12 0.00 -0.04 0.00 0.00 63.50 62.72 1ce4 n PRO 4 Cb 0.46 0.01 -0.02 0.00 -0.04 0.00 0.00 33.50 33.91 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 -2.41 -0.96 -0.29 3.54 2.04 -1.26 -4.71 115.26 111.21 1ce4 n ASN 5 Ca 0.02 -0.14 0.03 0.00 -0.44 0.00 0.00 54.58 54.06 1ce4 n ASN 5 Cb 0.17 -0.90 0.04 0.00 -2.53 0.00 0.00 39.78 36.56 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 -1.28 1.76 0.00 0.53 0.23 -1.26 -4.70 115.26 110.53 1ce4 n ASN 6 Ca 0.03 -1.42 0.00 0.00 -0.53 0.00 0.00 54.58 52.66 1ce4 n ASN 6 Cb 0.35 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.02 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 0.32 0.00 -3.35 0.53 0.23 -1.26 -4.93 115.26 106.80 1ce4 n ASN 7 Ca 0.04 0.00 -0.37 0.00 -0.53 0.00 0.00 54.58 53.73 1ce4 n ASN 7 Cb 0.20 0.07 -0.02 0.00 -2.08 0.00 0.00 39.78 37.95 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 -2.08 3.83 0.00 5.53 -1.04 -1.26 -4.56 114.28 114.70 1ce4 n THR 8 Ca 0.00 -2.41 0.00 0.00 -2.04 0.00 0.00 64.05 59.60 1ce4 n THR 8 Cb 0.00 -2.53 0.00 0.00 -1.82 0.00 0.00 70.33 65.98 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 4.08 0.00 -3.63 -2.82 1.85 -1.26 -4.59 116.66 110.29 1ce4 n ARG 9 Ca 0.69 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 57.29 1ce4 n ARG 9 Cb 0.24 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.59 1ce4 n ARG 9 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 1ce4 n LYS 10 N 0.00 -0.88 -2.71 2.89 0.00 -1.26 -4.86 118.16 111.34 1ce4 n LYS 10 Ca 0.00 0.08 -0.06 0.00 -0.00 0.00 0.00 58.31 58.32 1ce4 n LYS 10 Cb 0.00 -2.79 0.05 0.00 -0.00 0.00 0.00 35.03 32.29 1ce4 n LYS 10 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1ce4 n SER 11 N -1.62 1.10 0.07 -5.58 3.41 -1.26 -4.82 113.62 104.92 1ce4 n SER 11 Ca -0.07 -2.51 0.13 0.00 -0.26 0.00 0.00 58.87 56.16 1ce4 n SER 11 Cb 0.39 -0.35 0.40 0.00 -0.26 0.00 0.00 64.21 64.39 1ce4 n SER 11 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1ce4 n ILE 12 N -0.28 0.40 0.00 -1.33 5.41 -1.26 -4.76 119.36 117.53 1ce4 n ILE 12 Ca 0.07 -0.21 0.00 0.00 1.00 0.00 0.00 62.75 63.61 1ce4 n ILE 12 Cb 0.82 -0.44 0.00 0.00 -0.71 0.00 0.00 39.64 39.31 1ce4 n ILE 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ce4 n HIS 13 N -2.04 0.00 0.00 1.39 1.44 -1.26 -4.90 115.22 109.86 1ce4 n HIS 13 Ca 0.05 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.76 1ce4 n HIS 13 Cb 0.41 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.52 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 -4.88 119.36 115.91 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 -1.42 0.13 7.39 0.00 -1.26 -4.94 105.19 105.09 1ce4 n GLY 15 Ca 0.00 0.70 -0.13 0.00 0.00 0.00 0.00 46.02 46.59 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 0.34 -0.53 1.61 0.13 -2.03 -3.22 132.00 128.30 1ce4 h PRO 16 Ca 0.00 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1ce4 h PRO 16 Cb 0.00 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ce4 h PRO 16 CO 0.00 0.70 0.00 0.41 -0.23 0.00 0.00 178.00 178.88 1ce4 n GLY 17 N 0.11 0.79 0.16 1.56 0.00 -1.26 -4.04 105.19 102.51 1ce4 n GLY 17 Ca -0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 0.21 0.16 0.00 1.61 1.85 -1.22 -0.79 116.66 118.49 1ce4 n ARG 18 Ca 0.00 0.59 0.09 0.00 -1.00 0.00 0.00 57.85 57.53 1ce4 n ARG 18 Cb 0.13 -1.95 0.51 0.00 -1.05 0.00 0.00 32.46 30.10 1ce4 n ARG 18 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ce4 n ALA 19 N -1.79 2.09 -2.46 2.89 0.00 -1.26 -1.32 120.51 118.67 1ce4 n ALA 19 Ca -0.01 -0.10 -0.21 0.00 0.00 0.00 0.00 53.44 53.12 1ce4 n ALA 19 Cb 0.09 -1.30 0.01 0.00 0.00 0.00 0.00 19.45 18.25 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 -1.12 2.68 0.00 0.00 1.16 0.03 -4.97 117.46 115.24 1ce4 n PHE 20 Ca 0.12 -2.82 0.00 0.00 -1.87 0.00 0.00 57.45 52.87 1ce4 n PHE 20 Cb 0.10 -0.20 0.00 0.00 -1.61 0.00 0.00 39.48 37.77 1ce4 n PHE 20 CO 0.00 0.00 0.00 0.66 -1.87 0.00 0.00 176.76 175.55 1ce4 n TYR 21 N -0.44 0.00 -0.34 2.97 4.01 -0.44 -4.70 117.16 118.22 1ce4 n TYR 21 Ca 0.32 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.06 1ce4 n TYR 21 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.79 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 -0.26 -1.52 0.15 -0.72 -2.24 -1.26 -4.64 114.28 103.78 1ce4 n THR 22 Ca 0.00 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.62 1ce4 n THR 22 Cb 0.00 -1.52 -0.09 0.00 -2.10 0.00 0.00 70.33 66.62 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 0.06 -1.01 4.28 1.35 -1.99 0.25 112.91 115.85 1ce4 h THR 23 Ca 0.00 0.00 0.36 0.00 -0.55 0.00 0.00 66.41 66.22 1ce4 h THR 23 Cb 0.00 0.06 -0.12 0.00 -1.73 0.00 0.00 68.15 66.36 1ce4 h THR 23 CO 0.00 0.00 0.63 0.61 -0.25 0.00 0.00 175.52 176.51 1ce4 n GLY 24 N -1.49 -0.64 0.01 5.82 0.00 -1.26 -0.20 105.19 107.42 1ce4 n GLY 24 Ca -0.09 0.60 -0.00 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 -0.02 -0.26 1.61 4.81 -0.79 -2.74 114.58 117.20 1ce4 h GLU 25 Ca 0.68 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.97 1ce4 h GLU 25 Cb 2.11 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 31.44 1ce4 h GLU 25 CO -0.41 -0.01 -0.10 -0.84 -0.73 0.00 0.00 179.01 176.92 1ce4 h ILE 26 N -0.06 0.67 -0.32 2.32 3.07 -0.68 0.15 117.51 122.65 1ce4 h ILE 26 Ca -0.00 0.00 -0.09 0.00 1.55 0.00 0.00 64.86 66.32 1ce4 h ILE 26 Cb 0.01 0.67 -0.01 0.00 -0.27 0.00 0.00 36.82 37.22 1ce4 h ILE 26 CO 0.00 0.00 -0.15 0.40 -1.05 0.00 0.00 178.15 177.36 1ce4 h ILE 27 N -0.05 1.29 -0.51 0.16 5.03 -0.81 0.86 117.51 123.47 1ce4 h ILE 27 Ca 0.13 -1.25 0.09 0.00 -0.12 0.00 0.00 64.86 63.71 1ce4 h ILE 27 Cb 0.25 1.41 -0.08 0.00 -3.03 0.00 0.00 36.82 35.38 1ce4 h ILE 27 CO -0.29 0.40 0.07 1.23 -0.68 0.00 0.00 178.15 178.88 1ce4 h GLY 28 N 0.44 0.60 0.98 5.37 0.00 -0.98 -0.42 103.07 109.06 1ce4 h GLY 28 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.33 1ce4 h GLY 28 CO 0.05 -0.10 -0.03 -1.80 0.00 0.00 0.00 176.54 174.66 1ce4 h ASP 29 N 0.20 0.79 -0.56 0.19 -0.00 -0.66 -1.52 116.42 114.85 1ce4 h ASP 29 Ca 0.26 -0.32 0.08 0.00 -0.00 0.00 0.00 57.03 57.05 1ce4 h ASP 29 Cb 0.37 -0.21 -0.07 0.00 -0.00 0.00 0.00 39.33 39.42 1ce4 h ASP 29 CO -0.37 0.92 0.19 0.40 -0.00 0.00 0.00 179.24 180.39 1ce4 h ILE 30 N 0.63 0.78 -0.40 2.25 2.04 -0.24 0.20 117.51 122.78 1ce4 h ILE 30 Ca 0.12 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 1ce4 h ILE 30 Cb 0.53 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1ce4 h ILE 30 CO 0.03 0.07 0.13 0.08 0.00 0.00 0.00 178.15 178.45 1ce4 h ARG 31 N 0.37 0.62 -0.95 2.37 -0.00 -1.03 -2.80 114.38 112.95 1ce4 h ARG 31 Ca 0.28 -0.13 0.27 0.00 -0.00 0.00 0.00 59.98 60.40 1ce4 h ARG 31 Cb 0.33 -0.09 -0.14 0.00 -0.00 0.00 0.00 29.97 30.07 1ce4 h ARG 31 CO -0.29 0.62 0.45 0.37 -0.00 0.00 0.00 179.97 181.11 1ce4 h GLN 32 N 0.50 0.32 0.00 0.08 4.15 -0.57 0.02 115.11 119.61 1ce4 h GLN 32 Ca 0.13 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.53 1ce4 h GLN 32 Cb 0.25 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.87 1ce4 h GLN 32 CO -0.00 0.21 0.00 0.00 -1.93 0.00 0.00 178.83 177.10 1ce4 n ALA 33 N -2.45 2.18 0.23 3.38 0.00 0.65 -2.87 120.51 121.63 1ce4 n ALA 33 Ca 0.27 -0.11 0.08 0.00 0.00 0.00 0.00 53.44 53.68 1ce4 n ALA 33 Cb 0.82 -1.37 0.24 0.00 0.00 0.00 0.00 19.45 19.15 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 -1.26 0.78 0.67 0.00 8.25 -0.01 -5.08 115.22 118.58 1ce4 n HIS 34 Ca 0.11 -0.37 0.05 0.00 -0.26 0.00 0.00 57.72 57.25 1ce4 n HIS 34 Cb 0.17 -0.03 0.32 0.00 1.12 0.00 0.00 29.99 31.57 1ce4 n HIS 34 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98