#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 -3.01 0.00 5.66 -1.26 -2.65 114.28 113.02 1ce4 n THR 2 Ca 0.00 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.61 1ce4 n THR 2 Cb 0.00 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.77 1ce4 n THR 2 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1ce4 n ARG 3 N 0.00 4.24 -0.08 1.09 0.63 -1.26 -4.78 116.66 116.51 1ce4 n ARG 3 Ca 0.00 -4.62 0.16 0.00 -0.92 0.00 0.00 57.85 52.47 1ce4 n ARG 3 Cb 0.00 -2.44 0.56 0.00 0.45 0.00 0.00 32.46 31.03 1ce4 n ARG 3 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 1ce4 h PRO 4 N 4.84 0.27 0.00 -0.14 0.13 -2.02 -3.45 132.00 131.63 1ce4 h PRO 4 Ca 0.26 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.37 1ce4 h PRO 4 Cb 0.56 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.63 1ce4 h PRO 4 CO 1.19 0.18 0.00 0.27 -0.23 0.00 0.00 178.00 179.41 1ce4 n ASN 5 N -4.45 0.00 -4.03 1.44 0.23 -1.26 -4.86 115.26 102.34 1ce4 n ASN 5 Ca 0.11 0.00 -0.29 0.00 -0.53 0.00 0.00 54.58 53.87 1ce4 n ASN 5 Cb 0.50 0.00 -0.17 0.00 -2.08 0.00 0.00 39.78 38.03 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 0.00 -0.42 -4.27 0.53 2.04 -1.26 -0.91 115.26 110.97 1ce4 n ASN 6 Ca 0.00 -0.12 -0.38 0.00 -0.44 0.00 0.00 54.58 53.64 1ce4 n ASN 6 Cb 0.00 -0.67 -0.07 0.00 -2.53 0.00 0.00 39.78 36.51 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 7.46 -1.69 0.02 0.53 4.13 -1.26 -4.86 115.26 119.58 1ce4 n ASN 7 Ca 0.60 -1.06 -0.09 0.00 1.68 0.00 0.00 54.58 55.71 1ce4 n ASN 7 Cb 0.07 -1.49 0.06 0.00 -1.54 0.00 0.00 39.78 36.88 1ce4 n ASN 7 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 1ce4 h THR 8 N -0.77 1.33 -3.23 3.41 2.02 -1.37 -3.43 112.91 110.87 1ce4 h THR 8 Ca -0.53 -1.82 -0.63 0.00 0.77 0.00 0.00 66.41 64.20 1ce4 h THR 8 Cb 1.31 1.81 -0.14 0.00 -1.74 0.00 0.00 68.15 69.39 1ce4 h THR 8 CO 0.79 0.56 0.44 -0.13 0.37 0.00 0.00 175.52 177.55 1ce4 s ARG 9 N -3.96 3.28 -0.74 6.66 0.52 -1.26 -4.95 118.95 118.51 1ce4 s ARG 9 Ca -0.07 -0.40 -0.00 0.00 -0.52 0.00 0.00 55.73 54.73 1ce4 s ARG 9 Cb 0.11 -4.06 0.37 0.00 0.52 0.00 0.00 34.95 31.90 1ce4 s ARG 9 CO 0.84 -1.41 1.79 1.63 0.02 0.00 0.00 175.30 178.17 1ce4 n LYS 10 N 7.13 2.93 -2.65 3.54 4.01 -1.26 -4.44 118.16 127.41 1ce4 n LYS 10 Ca -0.00 -3.77 -0.03 0.00 -0.51 0.00 0.00 58.31 54.00 1ce4 n LYS 10 Cb 0.47 -2.27 0.07 0.00 -0.51 0.00 0.00 35.03 32.80 1ce4 n LYS 10 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1ce4 n SER 11 N -0.54 -1.06 -0.03 4.39 2.88 -1.26 -5.09 113.62 112.91 1ce4 n SER 11 Ca 0.50 -1.59 -0.08 0.00 -1.33 0.00 0.00 58.87 56.37 1ce4 n SER 11 Cb 0.36 1.03 -0.02 0.00 -0.75 0.00 0.00 64.21 64.83 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 0.13 0.70 0.00 2.46 2.04 -1.98 -3.40 117.51 117.47 1ce4 h ILE 12 Ca -0.43 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1ce4 h ILE 12 Cb 1.23 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1ce4 h ILE 12 CO -0.08 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.07 1ce4 n HIS 13 N -5.25 0.00 -0.26 1.37 1.44 -1.26 -4.93 115.22 106.33 1ce4 n HIS 13 Ca -0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.69 1ce4 n HIS 13 Cb 0.17 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.28 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 5.41 -1.26 -4.99 119.36 119.13 1ce4 n ILE 14 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1ce4 n ILE 14 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1ce4 n ILE 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ce4 n GLY 15 N 0.00 0.50 0.36 7.39 0.00 -1.26 -4.88 105.19 107.29 1ce4 n GLY 15 Ca 0.00 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.60 1.61 0.13 -2.00 -0.08 132.00 131.86 1ce4 h PRO 16 Ca 0.00 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1ce4 h PRO 16 Cb 0.00 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 30.95 1ce4 h PRO 16 CO 0.00 0.53 0.00 0.41 -0.23 0.00 0.00 178.00 178.71 1ce4 n GLY 17 N -1.34 0.84 0.04 1.56 0.00 -1.26 -4.23 105.19 100.80 1ce4 n GLY 17 Ca 0.22 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.26 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 0.12 0.02 -0.66 1.61 -4.01 -0.05 -0.73 116.66 112.97 1ce4 n ARG 18 Ca 0.00 0.43 0.04 0.00 -1.04 0.00 0.00 57.85 57.28 1ce4 n ARG 18 Cb 0.15 -1.71 0.06 0.00 -3.04 0.00 0.00 32.46 27.92 1ce4 n ARG 18 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1ce4 n ALA 19 N -1.45 2.37 -2.81 2.89 0.00 -1.26 -4.86 120.51 115.39 1ce4 n ALA 19 Ca -0.00 -1.99 -0.11 0.00 0.00 0.00 0.00 53.44 51.34 1ce4 n ALA 19 Cb 0.13 -0.51 0.06 0.00 0.00 0.00 0.00 19.45 19.13 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 -0.34 -2.57 0.03 0.00 -1.74 0.10 -5.05 117.46 107.89 1ce4 n PHE 20 Ca 0.07 -2.27 0.00 0.00 -0.56 0.00 0.00 57.45 54.70 1ce4 n PHE 20 Cb 0.80 1.29 0.00 0.00 1.52 0.00 0.00 39.48 43.08 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 0.83 0.00 -1.02 2.97 4.01 -0.79 -4.68 117.16 118.47 1ce4 n TYR 21 Ca 0.10 -0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 1ce4 n TYR 21 Cb 0.66 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.62 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 0.82 -5.72 0.10 -0.72 -2.24 -1.26 -4.44 114.28 100.81 1ce4 n THR 22 Ca 0.00 1.28 -0.15 0.00 -2.27 0.00 0.00 64.05 62.91 1ce4 n THR 22 Cb 0.01 -3.07 -0.08 0.00 -2.10 0.00 0.00 70.33 65.09 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 1.58 0.10 -0.97 4.28 1.35 -1.99 0.28 112.91 117.52 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 0.10 -0.11 0.00 -1.73 0.00 0.00 68.15 66.41 1ce4 h THR 23 CO 0.00 0.00 0.61 0.61 -0.25 0.00 0.00 175.52 176.49 1ce4 n GLY 24 N -1.47 -0.62 0.07 5.82 0.00 -1.26 -0.48 105.19 107.26 1ce4 n GLY 24 Ca -0.07 0.58 -0.02 0.00 0.00 0.00 0.00 46.02 46.51 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 -0.13 -0.29 1.61 4.57 -0.67 -1.92 114.58 117.75 1ce4 h GLU 25 Ca 0.66 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.90 1ce4 h GLU 25 Cb 2.04 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 30.60 1ce4 h GLU 25 CO -0.40 -0.09 -0.06 -0.84 -1.18 0.00 0.00 179.01 176.44 1ce4 h ILE 26 N -0.54 0.73 -0.19 2.32 3.07 -0.95 0.19 117.51 122.13 1ce4 h ILE 26 Ca -0.01 -0.01 -0.08 0.00 1.55 0.00 0.00 64.86 66.31 1ce4 h ILE 26 Cb 0.10 0.71 -0.00 0.00 -0.27 0.00 0.00 36.82 37.36 1ce4 h ILE 26 CO 0.02 0.00 -0.17 0.40 -1.05 0.00 0.00 178.15 177.35 1ce4 h ILE 27 N 0.02 1.33 -0.99 0.16 5.03 -0.99 0.18 117.51 122.25 1ce4 h ILE 27 Ca 0.14 -1.32 0.33 0.00 -0.12 0.00 0.00 64.86 63.89 1ce4 h ILE 27 Cb 0.21 1.76 -0.18 0.00 -3.03 0.00 0.00 36.82 35.58 1ce4 h ILE 27 CO -0.28 0.40 0.27 1.23 -0.68 0.00 0.00 178.15 179.09 1ce4 h GLY 28 N 0.13 1.72 0.29 5.37 0.00 -0.48 -0.11 103.07 109.98 1ce4 h GLY 28 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 1ce4 h GLY 28 CO 0.04 -0.63 -0.14 -1.80 0.00 0.00 0.00 176.54 174.02 1ce4 h ASP 29 N 0.03 -0.33 -1.02 0.19 3.58 -0.51 -3.37 116.42 115.01 1ce4 h ASP 29 Ca 0.71 0.01 0.26 0.00 0.42 0.00 0.00 57.03 58.43 1ce4 h ASP 29 Cb 1.66 0.08 -0.12 0.00 1.72 0.00 0.00 39.33 42.68 1ce4 h ASP 29 CO -0.83 0.04 0.61 0.40 -2.88 0.00 0.00 179.24 176.58 1ce4 h ILE 30 N -0.93 0.51 -0.54 2.25 1.08 -0.03 0.34 117.51 120.19 1ce4 h ILE 30 Ca -0.04 -0.18 -0.03 0.00 -0.39 0.00 0.00 64.86 64.22 1ce4 h ILE 30 Cb 0.30 -0.06 -0.03 0.00 -3.07 0.00 0.00 36.82 33.96 1ce4 h ILE 30 CO 0.06 0.09 0.21 0.08 -0.69 0.00 0.00 178.15 177.91 1ce4 h ARG 31 N 0.52 0.79 -0.36 2.37 0.11 -1.25 -1.90 114.38 114.66 1ce4 h ARG 31 Ca 0.65 -0.12 -0.12 0.00 0.10 0.00 0.00 59.98 60.49 1ce4 h ARG 31 Cb 1.34 -0.14 -0.01 0.00 1.11 0.00 0.00 29.97 32.26 1ce4 h ARG 31 CO -0.45 0.66 -0.25 1.96 0.10 0.00 0.00 179.97 181.99 1ce4 h GLN 32 N 0.78 0.73 -0.51 0.08 4.20 -0.57 -3.33 115.11 116.49 1ce4 h GLN 32 Ca 0.19 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1ce4 h GLN 32 Cb 0.17 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1ce4 h GLN 32 CO -0.02 0.91 0.00 0.00 -0.67 0.00 0.00 178.83 179.05 1ce4 n ALA 33 N -2.50 1.89 0.92 3.87 0.00 -0.09 -0.94 120.51 123.65 1ce4 n ALA 33 Ca -0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1ce4 n ALA 33 Cb 0.44 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.86 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 0.14 0.00 0.00 0.00 8.25 -1.24 -4.82 115.22 117.55 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 0.13 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.24 1ce4 n HIS 34 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98