#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 -1.63 0.00 5.66 -1.26 -4.75 114.28 112.30 1ce4 n THR 2 Ca 0.00 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.58 1ce4 n THR 2 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 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 0.46 3.63 0.76 1.09 3.00 -1.26 -4.92 118.95 121.72 1ce4 s ARG 3 Ca 0.00 2.33 -0.13 0.00 -1.00 0.00 0.00 55.73 56.93 1ce4 s ARG 3 Cb 0.00 -4.27 0.20 0.00 0.00 0.00 0.00 34.95 30.87 1ce4 s ARG 3 CO 0.00 -1.54 0.45 -0.35 0.00 0.00 0.00 175.30 173.86 1ce4 n PRO 4 N 8.16 -3.45 -0.13 5.12 -0.04 -1.26 -4.82 135.00 138.58 1ce4 n PRO 4 Ca 0.25 -0.75 -0.08 0.00 -0.04 0.00 0.00 63.50 62.88 1ce4 n PRO 4 Cb 0.43 -0.98 0.00 0.00 -0.04 0.00 0.00 33.50 32.91 1ce4 n PRO 4 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1ce4 h ASN 5 N -2.85 0.45 -5.87 3.54 -0.26 -1.95 -3.47 115.58 105.17 1ce4 h ASN 5 Ca -0.20 -0.01 -0.34 0.00 -0.56 0.00 0.00 56.30 55.19 1ce4 h ASN 5 Cb 0.68 -0.11 0.01 0.00 -1.06 0.00 0.00 38.32 37.84 1ce4 h ASN 5 CO 0.12 0.33 -0.87 0.59 -1.06 0.00 0.00 177.43 176.54 1ce4 n ASN 6 N -4.81 -3.80 -3.73 5.81 3.02 -1.26 -0.57 115.26 109.91 1ce4 n ASN 6 Ca 0.01 -0.44 -0.26 0.00 -0.03 0.00 0.00 54.58 53.86 1ce4 n ASN 6 Cb 0.03 -1.18 0.05 0.00 -0.61 0.00 0.00 39.78 38.07 1ce4 n ASN 6 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1ce4 n ASN 7 N -0.87 -5.16 -0.30 6.41 3.02 -1.26 -4.91 115.26 112.19 1ce4 n ASN 7 Ca -0.16 -0.67 0.35 0.00 -0.03 0.00 0.00 54.58 54.07 1ce4 n ASN 7 Cb 0.52 -4.48 0.74 0.00 -0.61 0.00 0.00 39.78 35.94 1ce4 n ASN 7 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ce4 h THR 8 N -2.35 0.35 -1.63 3.41 1.03 -1.19 -1.81 112.91 110.71 1ce4 h THR 8 Ca -0.58 0.00 0.50 0.00 -0.01 0.00 0.00 66.41 66.32 1ce4 h THR 8 Cb 1.37 0.37 -0.09 0.00 -1.07 0.00 0.00 68.15 68.73 1ce4 h THR 8 CO 0.61 0.00 1.14 0.54 -0.01 0.00 0.00 175.52 177.79 1ce4 n ARG 9 N -4.05 -0.01 -1.29 0.00 1.74 -1.26 -4.84 116.66 106.95 1ce4 n ARG 9 Ca 0.25 1.04 -0.36 0.00 -0.77 0.00 0.00 57.85 58.01 1ce4 n ARG 9 Cb 1.26 -2.28 0.08 0.00 -1.02 0.00 0.00 32.46 30.51 1ce4 n ARG 9 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1ce4 n LYS 10 N -4.01 0.38 -2.42 5.56 -0.00 -0.68 -4.42 118.16 112.56 1ce4 n LYS 10 Ca 0.39 0.18 -0.03 0.00 -0.00 0.00 0.00 58.31 58.86 1ce4 n LYS 10 Cb 1.71 -2.03 0.00 0.00 -0.00 0.00 0.00 35.03 34.71 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 -1.07 -5.73 0.00 -5.58 3.41 -1.26 -4.94 113.62 98.45 1ce4 n SER 11 Ca 0.11 0.15 0.08 0.00 -0.26 0.00 0.00 58.87 58.95 1ce4 n SER 11 Cb 0.50 -3.77 0.45 0.00 -0.26 0.00 0.00 64.21 61.13 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 -0.92 0.00 -0.23 -1.33 2.08 -1.26 -4.00 119.36 113.70 1ce4 n ILE 12 Ca 0.04 0.00 0.22 0.00 0.56 0.00 0.00 62.75 63.57 1ce4 n ILE 12 Cb 0.39 -0.71 0.40 0.00 -0.75 0.00 0.00 39.64 38.98 1ce4 n ILE 12 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 1ce4 n HIS 13 N -0.96 0.76 -4.17 1.39 8.25 -1.26 -4.79 115.22 114.44 1ce4 n HIS 13 Ca 0.11 0.76 -0.10 0.00 -0.26 0.00 0.00 57.72 58.23 1ce4 n HIS 13 Cb 0.05 -1.19 -0.10 0.00 1.12 0.00 0.00 29.99 29.87 1ce4 n HIS 13 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 1ce4 s ILE 14 N -4.99 0.28 0.00 1.59 -0.00 -1.26 -5.09 121.20 111.73 1ce4 s ILE 14 Ca -0.06 -1.92 0.00 0.00 -0.00 0.00 0.00 60.65 58.67 1ce4 s ILE 14 Cb 0.23 -2.00 0.00 0.00 -0.00 0.00 0.00 42.46 40.69 1ce4 s ILE 14 CO 0.53 -0.54 0.00 0.61 -0.00 0.00 0.00 174.94 175.54 1ce4 n GLY 15 N -0.11 -1.37 0.31 6.27 0.00 -1.26 -5.02 105.19 104.01 1ce4 n GLY 15 Ca -0.07 0.52 0.01 0.00 0.00 0.00 0.00 46.02 46.48 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 -0.02 -0.31 1.61 0.13 -2.02 -0.71 132.00 130.68 1ce4 h PRO 16 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.18 1ce4 h PRO 16 Cb 0.00 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.12 1ce4 h PRO 16 CO 0.00 -0.02 0.21 0.78 -0.23 0.00 0.00 178.00 178.74 1ce4 h GLY 17 N -0.02 0.22 0.00 1.56 0.00 -2.02 -3.46 103.07 99.35 1ce4 h GLY 17 Ca 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1ce4 h GLY 17 CO -0.81 0.06 0.00 0.54 0.00 0.00 0.00 176.54 176.33 1ce4 n ARG 18 N -4.48 0.00 0.00 4.80 5.12 -0.28 -4.66 116.66 117.17 1ce4 n ARG 18 Ca 0.03 0.00 0.03 0.00 -1.93 0.00 0.00 57.85 55.99 1ce4 n ARG 18 Cb 0.25 -0.70 -0.01 0.00 -1.16 0.00 0.00 32.46 30.84 1ce4 n ARG 18 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ce4 n ALA 19 N 0.01 2.74 -0.49 7.54 0.00 -1.26 -4.26 120.51 124.78 1ce4 n ALA 19 Ca 0.00 -0.32 0.08 0.00 0.00 0.00 0.00 53.44 53.20 1ce4 n ALA 19 Cb 0.00 -0.25 0.34 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.60 1.49 0.00 0.00 1.16 -1.26 -4.57 117.46 113.68 1ce4 n PHE 20 Ca 0.02 -0.58 0.00 0.00 -1.87 0.00 0.00 57.45 55.03 1ce4 n PHE 20 Cb 0.13 -0.28 0.00 0.00 -1.61 0.00 0.00 39.48 37.73 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 0.96 0.00 -0.70 2.97 4.02 -1.26 -4.86 117.16 118.29 1ce4 n TYR 21 Ca 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.13 1ce4 n TYR 21 Cb 0.89 -0.28 0.00 0.00 -0.02 0.00 0.00 39.34 39.93 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 -1.26 -3.72 0.15 -0.72 -2.24 -1.26 -4.51 114.28 100.72 1ce4 n THR 22 Ca 0.00 0.67 -0.16 0.00 -2.27 0.00 0.00 64.05 62.29 1ce4 n THR 22 Cb 0.05 -2.38 -0.09 0.00 -2.10 0.00 0.00 70.33 65.81 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 0.82 0.06 -1.47 4.28 1.35 -1.91 0.25 112.91 116.29 1ce4 h THR 23 Ca 0.00 0.00 0.46 0.00 -0.55 0.00 0.00 66.41 66.32 1ce4 h THR 23 Cb 0.00 0.06 -0.09 0.00 -1.73 0.00 0.00 68.15 66.39 1ce4 h THR 23 CO 0.00 0.00 1.02 0.61 -0.25 0.00 0.00 175.52 176.90 1ce4 n GLY 24 N -1.50 -0.80 0.00 5.82 0.00 -1.26 0.03 105.19 107.49 1ce4 n GLY 24 Ca -0.09 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 -4.03 0.00 0.08 1.61 2.13 0.84 -2.54 120.64 118.73 1ce4 n GLU 25 Ca 0.37 0.48 -0.12 0.00 0.66 0.00 0.00 57.16 58.55 1ce4 n GLU 25 Cb 1.57 -1.08 -0.05 0.00 0.27 0.00 0.00 31.44 32.15 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 0.36 -0.33 6.31 3.07 -0.98 0.96 117.51 126.90 1ce4 h ILE 26 Ca 0.00 0.00 -0.15 0.00 1.55 0.00 0.00 64.86 66.26 1ce4 h ILE 26 Cb 0.00 0.36 -0.01 0.00 -0.27 0.00 0.00 36.82 36.90 1ce4 h ILE 26 CO 0.00 0.00 -0.39 0.40 -1.05 0.00 0.00 178.15 177.11 1ce4 h ILE 27 N -0.46 1.28 -0.32 0.16 1.08 -0.64 0.37 117.51 118.98 1ce4 h ILE 27 Ca 0.05 -1.57 0.06 0.00 -0.39 0.00 0.00 64.86 63.02 1ce4 h ILE 27 Cb 0.53 1.45 -0.06 0.00 -3.07 0.00 0.00 36.82 35.67 1ce4 h ILE 27 CO -0.22 0.51 -0.07 1.23 -0.69 0.00 0.00 178.15 178.91 1ce4 h GLY 28 N 0.89 0.24 0.97 5.37 0.00 -1.16 0.53 103.07 109.92 1ce4 h GLY 28 Ca 0.05 0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 1ce4 h GLY 28 CO 0.09 -0.12 0.11 -1.80 0.00 0.00 0.00 176.54 174.82 1ce4 h ASP 29 N 0.01 0.21 -0.47 0.19 1.82 -0.61 -0.33 116.42 117.24 1ce4 h ASP 29 Ca 0.15 -0.04 0.10 0.00 -0.39 0.00 0.00 57.03 56.85 1ce4 h ASP 29 Cb 0.23 -0.05 -0.09 0.00 0.68 0.00 0.00 39.33 40.09 1ce4 h ASP 29 CO -0.32 0.19 -0.18 0.40 -1.61 0.00 0.00 179.24 177.72 1ce4 h ILE 30 N 0.21 0.42 -0.32 2.25 1.08 -0.66 0.89 117.51 121.39 1ce4 h ILE 30 Ca 0.06 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.59 1ce4 h ILE 30 Cb 0.02 0.42 -0.05 0.00 -3.07 0.00 0.00 36.82 34.14 1ce4 h ILE 30 CO -0.01 0.00 -0.00 0.03 -0.69 0.00 0.00 178.15 177.47 1ce4 h ARG 31 N -0.07 0.09 -0.95 2.37 -0.00 -0.60 -1.30 114.38 113.91 1ce4 h ARG 31 Ca 0.22 -0.01 0.19 0.00 -0.50 0.00 0.00 59.98 59.89 1ce4 h ARG 31 Cb 0.42 -0.02 -0.11 0.00 0.00 0.00 0.00 29.97 30.26 1ce4 h ARG 31 CO -0.52 0.06 0.54 0.37 0.00 0.00 0.00 179.97 180.42 1ce4 h GLN 32 N 0.09 0.64 0.00 0.04 5.75 -0.28 -3.08 115.11 118.27 1ce4 h GLN 32 Ca 0.16 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 1ce4 h GLN 32 Cb 0.21 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.62 1ce4 h GLN 32 CO -0.26 0.42 0.00 0.00 -2.65 0.00 0.00 178.83 176.34 1ce4 n ALA 33 N -2.37 2.25 1.36 3.38 0.00 0.24 -1.55 120.51 123.81 1ce4 n ALA 33 Ca 0.22 -0.13 0.14 0.00 0.00 0.00 0.00 53.44 53.67 1ce4 n ALA 33 Cb 0.58 -1.34 0.51 0.00 0.00 0.00 0.00 19.45 19.20 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 -1.04 0.00 0.00 0.00 8.25 -1.16 -5.09 115.22 116.17 1ce4 n HIS 34 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 1ce4 n HIS 34 Cb 0.08 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.06 1ce4 n HIS 34 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98