#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 -3.48 0.00 5.66 0.13 -4.89 114.28 111.70 1ce4 n THR 2 Ca 0.00 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.57 1ce4 n THR 2 Cb 0.00 -0.81 -0.06 0.00 -1.55 0.00 0.00 70.33 67.91 1ce4 n THR 2 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1ce4 s ARG 3 N -1.63 2.86 0.00 1.09 3.00 -1.26 -4.96 118.95 118.05 1ce4 s ARG 3 Ca 0.00 -2.06 0.00 0.00 -1.00 0.00 0.00 55.73 52.67 1ce4 s ARG 3 Cb 0.00 -4.09 0.00 0.00 0.00 0.00 0.00 34.95 30.86 1ce4 s ARG 3 CO 0.00 -1.24 0.00 -0.35 0.00 0.00 0.00 175.30 173.71 1ce4 n PRO 4 N 4.49 1.19 0.00 5.12 -0.04 -1.26 -4.95 135.00 139.56 1ce4 n PRO 4 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1ce4 n PRO 4 Cb 0.42 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 1ce4 n PRO 4 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ce4 n ASN 5 N 0.00 -2.07 -3.04 3.54 3.02 -1.26 -4.78 115.26 110.67 1ce4 n ASN 5 Ca 0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.33 1ce4 n ASN 5 Cb 0.00 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.18 1ce4 n ASN 5 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1ce4 n ASN 6 N -2.78 -3.51 0.00 6.41 2.04 -1.26 0.01 115.26 116.18 1ce4 n ASN 6 Ca 0.00 -0.38 0.00 0.00 -0.44 0.00 0.00 54.58 53.76 1ce4 n ASN 6 Cb 0.00 -1.09 0.00 0.00 -2.53 0.00 0.00 39.78 36.16 1ce4 n ASN 6 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1ce4 n ASN 7 N -0.67 0.00 0.00 0.53 3.02 -1.26 -3.17 115.26 113.71 1ce4 n ASN 7 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 1ce4 n ASN 7 Cb 0.47 -1.20 0.00 0.00 -0.61 0.00 0.00 39.78 38.44 1ce4 n ASN 7 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1ce4 n THR 8 N -2.00 0.00 0.00 3.41 -2.24 0.10 -4.81 114.28 108.74 1ce4 n THR 8 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ce4 n THR 8 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1ce4 n THR 8 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ce4 n ARG 9 N -1.98 0.00 -3.66 -0.78 3.00 -1.19 -4.93 116.66 107.12 1ce4 n ARG 9 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 57.85 57.63 1ce4 n ARG 9 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.43 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 0.00 -0.83 -2.77 5.56 2.85 -1.26 -4.85 118.16 116.86 1ce4 n LYS 10 Ca 0.00 -0.04 -0.09 0.00 -1.05 0.00 0.00 58.31 57.13 1ce4 n LYS 10 Cb 0.00 -1.63 0.08 0.00 -0.65 0.00 0.00 35.03 32.84 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 -1.23 -1.49 -2.15 -5.58 2.88 -1.26 -4.91 113.62 99.88 1ce4 n SER 11 Ca -0.14 -3.11 -0.29 0.00 -1.33 0.00 0.00 58.87 54.00 1ce4 n SER 11 Cb 0.36 1.11 0.05 0.00 -0.75 0.00 0.00 64.21 64.98 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 -0.02 3.06 0.02 2.46 5.41 -1.26 -4.72 119.36 124.30 1ce4 n ILE 12 Ca 0.05 -3.56 -0.00 0.00 1.00 0.00 0.00 62.75 60.24 1ce4 n ILE 12 Cb 0.76 -1.12 -0.00 0.00 -0.71 0.00 0.00 39.64 38.56 1ce4 n ILE 12 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1ce4 n HIS 13 N -0.82 0.00 0.00 1.39 8.25 -1.26 -5.14 115.22 117.63 1ce4 n HIS 13 Ca 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.99 1ce4 n HIS 13 Cb 0.83 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.94 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 -2.87 0.00 0.00 1.59 -6.64 -1.26 -5.05 119.36 105.12 1ce4 n ILE 14 Ca -0.00 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.98 1ce4 n ILE 14 Cb 0.01 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.21 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 2.26 0.34 3.28 0.00 -1.26 -4.76 105.19 105.05 1ce4 n GLY 15 Ca 0.00 -0.66 0.03 0.00 0.00 0.00 0.00 46.02 45.40 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 0.79 -2.48 1.61 0.13 -2.04 -2.94 132.00 127.07 1ce4 h PRO 16 Ca 0.00 -0.05 -0.13 0.00 -0.87 0.00 0.00 66.00 64.96 1ce4 h PRO 16 Cb 0.00 -0.18 -0.04 0.00 0.13 0.00 0.00 31.00 30.91 1ce4 h PRO 16 CO 0.00 0.52 0.13 0.41 -0.23 0.00 0.00 178.00 178.83 1ce4 n GLY 17 N -1.44 2.22 0.11 1.56 0.00 -1.26 -4.74 105.19 101.64 1ce4 n GLY 17 Ca 0.08 -0.71 0.05 0.00 0.00 0.00 0.00 46.02 45.44 1ce4 n GLY 17 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ce4 n ARG 18 N 2.79 0.06 -0.08 1.61 0.63 -1.11 -0.37 116.66 120.20 1ce4 n ARG 18 Ca 0.26 0.49 0.04 0.00 -0.92 0.00 0.00 57.85 57.72 1ce4 n ARG 18 Cb 0.51 -1.96 0.05 0.00 0.45 0.00 0.00 32.46 31.52 1ce4 n ARG 18 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ce4 n ALA 19 N -1.50 2.00 -0.97 5.13 0.00 -1.26 -4.65 120.51 119.25 1ce4 n ALA 19 Ca -0.01 -1.58 0.08 0.00 0.00 0.00 0.00 53.44 51.93 1ce4 n ALA 19 Cb 0.27 -0.20 0.28 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.77 1.08 0.00 0.00 3.72 0.51 -4.65 117.46 117.35 1ce4 n PHE 20 Ca 0.06 -0.85 0.00 0.00 -0.05 0.00 0.00 57.45 56.61 1ce4 n PHE 20 Cb 0.47 -0.33 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 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 -0.35 0.00 -1.09 1.38 4.01 -1.25 -4.84 117.16 115.02 1ce4 n TYR 21 Ca 0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.96 1ce4 n TYR 21 Cb 0.92 -0.42 0.00 0.00 -0.31 0.00 0.00 39.34 39.53 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 -1.42 -5.93 0.14 -0.72 -2.24 -1.26 -4.45 114.28 98.41 1ce4 n THR 22 Ca 0.00 1.44 -0.16 0.00 -2.27 0.00 0.00 64.05 63.06 1ce4 n THR 22 Cb 0.02 -3.12 -0.09 0.00 -2.10 0.00 0.00 70.33 65.04 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 1.76 0.06 -1.04 4.28 1.35 -1.92 0.20 112.91 117.60 1ce4 h THR 23 Ca 0.00 0.00 0.37 0.00 -0.55 0.00 0.00 66.41 66.23 1ce4 h THR 23 Cb 0.00 0.06 -0.11 0.00 -1.73 0.00 0.00 68.15 66.37 1ce4 h THR 23 CO 0.00 0.00 0.66 0.61 -0.25 0.00 0.00 175.52 176.54 1ce4 n GLY 24 N -1.49 -0.64 0.04 5.82 0.00 -1.26 -0.37 105.19 107.29 1ce4 n GLY 24 Ca -0.09 0.59 -0.01 0.00 0.00 0.00 0.00 46.02 46.52 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 -0.07 0.02 1.61 4.57 -0.83 -2.03 114.58 117.84 1ce4 h GLU 25 Ca 0.68 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.89 1ce4 h GLU 25 Cb 2.15 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 30.72 1ce4 h GLU 25 CO -0.38 -0.05 -0.29 -0.84 -1.18 0.00 0.00 179.01 176.27 1ce4 h ILE 26 N -0.32 0.36 -0.20 2.32 3.07 -0.97 0.86 117.51 122.63 1ce4 h ILE 26 Ca -0.01 0.00 -0.09 0.00 1.55 0.00 0.00 64.86 66.32 1ce4 h ILE 26 Cb 0.06 0.36 -0.00 0.00 -0.27 0.00 0.00 36.82 36.96 1ce4 h ILE 26 CO 0.01 0.00 -0.21 0.40 -1.05 0.00 0.00 178.15 177.30 1ce4 h ILE 27 N -0.45 1.33 -0.17 0.16 1.08 -0.93 -0.50 117.51 118.03 1ce4 h ILE 27 Ca 0.06 -1.38 0.05 0.00 -0.39 0.00 0.00 64.86 63.19 1ce4 h ILE 27 Cb 0.53 1.77 -0.07 0.00 -3.07 0.00 0.00 36.82 35.98 1ce4 h ILE 27 CO -0.24 0.42 -0.42 1.23 -0.69 0.00 0.00 178.15 178.45 1ce4 h GLY 28 N 0.17 -0.69 0.72 5.37 0.00 -0.99 0.15 103.07 107.80 1ce4 h GLY 28 Ca 0.03 0.53 0.03 0.00 0.00 0.00 0.00 47.33 47.91 1ce4 h GLY 28 CO 0.05 -0.22 -0.03 -1.80 0.00 0.00 0.00 176.54 174.55 1ce4 h ASP 29 N -0.47 -0.12 -0.35 0.19 3.58 -0.86 0.44 116.42 118.83 1ce4 h ASP 29 Ca 0.08 0.04 0.07 0.00 0.42 0.00 0.00 57.03 57.65 1ce4 h ASP 29 Cb 0.62 0.08 -0.09 0.00 1.72 0.00 0.00 39.33 41.67 1ce4 h ASP 29 CO -0.42 -0.04 -0.31 0.40 -2.88 0.00 0.00 179.24 175.99 1ce4 h ILE 30 N 0.01 0.26 -0.47 2.25 1.08 -0.63 0.22 117.51 120.22 1ce4 h ILE 30 Ca 0.07 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.54 1ce4 h ILE 30 Cb 0.10 0.26 -0.02 0.00 -3.07 0.00 0.00 36.82 34.09 1ce4 h ILE 30 CO -0.14 0.00 0.28 0.03 -0.69 0.00 0.00 178.15 177.63 1ce4 h ARG 31 N -0.26 0.65 0.00 2.37 2.47 -0.42 -2.37 114.38 116.82 1ce4 h ARG 31 Ca 0.16 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 1ce4 h ARG 31 Cb 0.53 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.72 1ce4 h ARG 31 CO -0.50 0.48 0.00 1.04 0.56 0.00 0.00 179.97 181.55 1ce4 n GLN 32 N -4.70 0.20 0.00 0.04 6.02 0.12 -2.63 117.38 116.43 1ce4 n GLN 32 Ca 0.02 0.44 0.12 0.00 -0.01 0.00 0.00 57.00 57.57 1ce4 n GLN 32 Cb 0.06 -1.90 0.62 0.00 1.02 0.00 0.00 30.24 30.04 1ce4 n GLN 32 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ce4 n ALA 33 N -1.79 2.25 -0.34 -1.58 0.00 0.73 0.20 120.51 119.98 1ce4 n ALA 33 Ca 0.02 -0.12 -0.07 0.00 0.00 0.00 0.00 53.44 53.27 1ce4 n ALA 33 Cb 0.22 -1.39 0.02 0.00 0.00 0.00 0.00 19.45 18.30 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 -1.25 0.69 1.25 0.00 8.25 -1.08 -4.97 115.22 118.11 1ce4 n HIS 34 Ca 0.12 -1.26 0.10 0.00 -0.26 0.00 0.00 57.72 56.43 1ce4 n HIS 34 Cb 0.18 -0.62 0.60 0.00 1.12 0.00 0.00 29.99 31.26 1ce4 n HIS 34 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98