#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 -1.97 0.00 5.66 -1.26 -4.96 114.28 111.74 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 -0.08 -0.03 0.00 -1.55 0.00 0.00 70.33 68.68 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 0.50 4.16 0.00 1.09 3.52 -1.26 -4.93 118.95 122.02 1ce4 s ARG 3 Ca 0.00 2.21 0.00 0.00 -0.13 0.00 0.00 55.73 57.81 1ce4 s ARG 3 Cb 0.00 -4.01 0.00 0.00 -1.56 0.00 0.00 34.95 29.38 1ce4 s ARG 3 CO 0.00 -0.88 0.30 -0.35 -0.81 0.00 0.00 175.30 173.56 1ce4 n PRO 4 N 7.20 0.00 0.00 5.12 -0.04 -1.26 -4.71 135.00 141.31 1ce4 n PRO 4 Ca 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1ce4 n PRO 4 Cb 0.43 -0.80 0.00 0.00 -0.04 0.00 0.00 33.50 33.08 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 -0.49 0.00 0.00 3.54 2.04 -1.26 -4.60 115.26 114.48 1ce4 n ASN 5 Ca 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 1ce4 n ASN 5 Cb 0.00 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.25 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 0.00 0.00 0.02 0.53 0.23 -1.26 -0.25 115.26 114.52 1ce4 n ASN 6 Ca 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 54.58 54.03 1ce4 n ASN 6 Cb 0.00 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 37.69 1ce4 n ASN 6 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1ce4 n ASN 7 N -0.69 1.14 -0.13 0.53 4.13 -1.26 -4.37 115.26 114.61 1ce4 n ASN 7 Ca 0.00 0.16 0.28 0.00 1.68 0.00 0.00 54.58 56.70 1ce4 n ASN 7 Cb 0.23 -0.38 0.70 0.00 -1.54 0.00 0.00 39.78 38.79 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 -0.19 0.35 -1.29 3.41 2.02 -1.62 0.90 112.91 116.49 1ce4 h THR 8 Ca -0.02 0.00 0.37 0.00 0.77 0.00 0.00 66.41 67.53 1ce4 h THR 8 Cb 0.32 0.46 -0.07 0.00 -1.74 0.00 0.00 68.15 67.12 1ce4 h THR 8 CO -0.01 0.00 0.90 0.08 0.37 0.00 0.00 175.52 176.85 1ce4 h ARG 9 N 0.00 0.09 0.00 6.66 -0.00 -0.88 -3.46 114.38 116.80 1ce4 h ARG 9 Ca 0.39 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 60.37 1ce4 h ARG 9 Cb 1.84 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 31.79 1ce4 h ARG 9 CO -0.00 0.06 0.00 1.63 -0.00 0.00 0.00 179.97 181.65 1ce4 n LYS 10 N -4.30 0.00 -1.45 0.08 4.01 0.25 -5.08 118.16 111.67 1ce4 n LYS 10 Ca 0.30 0.00 -0.25 0.00 -0.51 0.00 0.00 58.31 57.85 1ce4 n LYS 10 Cb 1.30 0.00 0.09 0.00 -0.51 0.00 0.00 35.03 35.92 1ce4 n LYS 10 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1ce4 n SER 11 N 0.00 5.53 0.04 4.39 7.64 -0.83 -4.58 113.62 125.81 1ce4 n SER 11 Ca 0.00 -3.76 -0.22 0.00 1.01 0.00 0.00 58.87 55.90 1ce4 n SER 11 Cb 0.00 -0.71 -0.14 0.00 -1.01 0.00 0.00 64.21 62.35 1ce4 n SER 11 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1ce4 h ILE 12 N 1.37 1.03 -0.49 0.44 2.04 -1.95 -3.41 117.51 116.55 1ce4 h ILE 12 Ca 0.47 -2.46 0.04 0.00 1.00 0.00 0.00 64.86 63.92 1ce4 h ILE 12 Cb 1.38 2.77 -0.06 0.00 -0.74 0.00 0.00 36.82 40.18 1ce4 h ILE 12 CO 1.07 0.77 -0.29 0.00 0.00 0.00 0.00 178.15 179.70 1ce4 n HIS 13 N -3.81 -0.21 -1.17 1.37 1.44 -1.26 -0.79 115.22 110.79 1ce4 n HIS 13 Ca -0.24 0.61 -0.00 0.00 -2.01 0.00 0.00 57.72 56.08 1ce4 n HIS 13 Cb 0.97 -0.49 0.25 0.00 0.12 0.00 0.00 29.99 30.83 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 -4.26 2.56 -0.24 0.61 5.41 -1.26 -4.88 119.36 117.29 1ce4 n ILE 14 Ca 0.01 -2.11 -0.06 0.00 1.00 0.00 0.00 62.75 61.59 1ce4 n ILE 14 Cb 0.13 -0.31 -0.06 0.00 -0.71 0.00 0.00 39.64 38.69 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 -0.67 -1.47 0.31 7.39 0.00 0.03 0.00 105.19 110.79 1ce4 n GLY 15 Ca 0.31 0.67 0.16 0.00 0.00 0.00 0.00 46.02 47.17 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 0.00 -2.22 1.61 0.13 -1.90 -2.92 132.00 126.69 1ce4 h PRO 16 Ca 0.09 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.13 1ce4 h PRO 16 Cb 0.23 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.33 1ce4 h PRO 16 CO -0.53 0.00 -0.08 0.41 -0.23 0.00 0.00 178.00 177.57 1ce4 n GLY 17 N -1.30 2.23 0.22 1.56 0.00 0.10 -4.67 105.19 103.33 1ce4 n GLY 17 Ca -0.02 -0.59 0.10 0.00 0.00 0.00 0.00 46.02 45.50 1ce4 n GLY 17 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ce4 h ARG 18 N 3.37 0.00 -0.67 1.61 -0.00 -1.69 0.41 114.38 117.42 1ce4 h ARG 18 Ca 0.09 0.00 -0.48 0.00 -0.00 0.00 0.00 59.98 59.59 1ce4 h ARG 18 Cb 0.94 0.00 -0.41 0.00 -0.00 0.00 0.00 29.97 30.50 1ce4 h ARG 18 CO 0.23 0.00 -0.85 0.00 -0.00 0.00 0.00 179.97 179.34 1ce4 n ALA 19 N -1.70 4.58 -0.94 0.08 0.00 -1.26 -4.77 120.51 116.49 1ce4 n ALA 19 Ca -0.01 -3.60 0.00 0.00 0.00 0.00 0.00 53.44 49.82 1ce4 n ALA 19 Cb 0.30 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.70 0.00 0.00 0.00 1.16 0.11 -5.10 117.46 112.93 1ce4 n PHE 20 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.95 1ce4 n PHE 20 Cb 0.93 0.01 0.00 0.00 -1.61 0.00 0.00 39.48 38.82 1ce4 n PHE 20 CO 0.00 0.00 0.00 2.48 -1.87 0.00 0.00 176.76 177.37 1ce4 n TYR 21 N 0.00 0.00 -4.16 2.97 4.11 0.64 -5.03 117.16 115.70 1ce4 n TYR 21 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.90 57.63 1ce4 n TYR 21 Cb 0.05 0.00 -0.17 0.00 -0.00 0.00 0.00 39.34 39.23 1ce4 n TYR 21 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 1ce4 s THR 22 N 0.00 1.15 0.12 -3.48 -4.23 -1.26 -5.04 115.64 102.90 1ce4 s THR 22 Ca 0.00 -0.41 -0.30 0.00 -1.18 0.00 0.00 61.69 59.81 1ce4 s THR 22 Cb 0.00 -1.11 -0.08 0.00 1.34 0.00 0.00 72.50 72.65 1ce4 s THR 22 CO 0.00 0.38 1.59 0.71 -0.54 0.00 0.00 174.62 176.76 1ce4 h THR 23 N 6.09 0.19 -0.61 3.99 1.35 -1.99 0.35 112.91 122.27 1ce4 h THR 23 Ca -0.31 0.00 0.23 0.00 -0.55 0.00 0.00 66.41 65.78 1ce4 h THR 23 Cb 1.15 0.19 -0.11 0.00 -1.73 0.00 0.00 68.15 67.65 1ce4 h THR 23 CO 0.45 0.00 0.25 0.61 -0.25 0.00 0.00 175.52 176.57 1ce4 n GLY 24 N -1.45 -0.56 0.00 5.82 0.00 -1.26 -0.31 105.19 107.44 1ce4 n GLY 24 Ca -0.06 0.53 -0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 -0.00 -0.57 1.61 4.81 -1.13 -2.08 114.58 117.21 1ce4 h GLU 25 Ca 0.48 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.81 1ce4 h GLU 25 Cb 1.22 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.52 1ce4 h GLU 25 CO -0.50 -0.00 0.14 0.82 -0.73 0.00 0.00 179.01 178.74 1ce4 h ILE 26 N -0.01 0.69 0.00 2.32 2.04 -0.95 0.21 117.51 121.81 1ce4 h ILE 26 Ca -0.00 -0.10 -0.22 0.00 1.00 0.00 0.00 64.86 65.54 1ce4 h ILE 26 Cb 0.00 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1ce4 h ILE 26 CO 0.00 0.05 -0.92 0.40 0.00 0.00 0.00 178.15 177.68 1ce4 h ILE 27 N 0.28 1.43 0.41 -0.67 5.03 -0.86 0.98 117.51 124.11 1ce4 h ILE 27 Ca 0.30 -2.49 -0.01 0.00 -0.12 0.00 0.00 64.86 62.54 1ce4 h ILE 27 Cb 0.41 2.43 -0.01 0.00 -3.03 0.00 0.00 36.82 36.62 1ce4 h ILE 27 CO -0.36 0.74 -0.30 1.23 -0.68 0.00 0.00 178.15 178.78 1ce4 h GLY 28 N 1.40 -0.75 0.79 5.37 0.00 -0.30 -2.25 103.07 107.33 1ce4 h GLY 28 Ca -0.07 0.34 0.01 0.00 0.00 0.00 0.00 47.33 47.61 1ce4 h GLY 28 CO 0.15 -0.28 -0.14 -0.55 0.00 0.00 0.00 176.54 175.72 1ce4 h ASP 29 N -0.70 -0.39 -0.51 0.19 3.45 -0.73 -0.03 116.42 117.71 1ce4 h ASP 29 Ca -0.04 0.04 0.08 0.00 0.43 0.00 0.00 57.03 57.54 1ce4 h ASP 29 Cb 0.60 0.14 -0.07 0.00 -0.56 0.00 0.00 39.33 39.44 1ce4 h ASP 29 CO 0.01 -0.21 0.13 0.40 -1.57 0.00 0.00 179.24 178.00 1ce4 h ILE 30 N -0.30 0.75 -0.43 0.35 1.08 -0.85 0.86 117.51 118.97 1ce4 h ILE 30 Ca 0.01 -0.10 -0.07 0.00 -0.39 0.00 0.00 64.86 64.32 1ce4 h ILE 30 Cb 0.30 0.45 -0.02 0.00 -3.07 0.00 0.00 36.82 34.48 1ce4 h ILE 30 CO -0.06 0.05 0.02 0.03 -0.69 0.00 0.00 178.15 177.50 1ce4 h ARG 31 N 0.28 0.76 -0.74 2.37 3.08 -1.27 -2.45 114.38 116.41 1ce4 h ARG 31 Ca 0.25 -0.23 0.16 0.00 0.07 0.00 0.00 59.98 60.23 1ce4 h ARG 31 Cb 0.32 -0.07 -0.11 0.00 0.08 0.00 0.00 29.97 30.19 1ce4 h ARG 31 CO -0.30 0.82 0.21 0.37 -1.07 0.00 0.00 179.97 179.99 1ce4 h GLN 32 N 0.60 0.29 -1.25 0.04 5.75 -0.57 -3.01 115.11 116.96 1ce4 h GLN 32 Ca 0.13 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.61 1ce4 h GLN 32 Cb 0.46 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.95 1ce4 h GLN 32 CO 0.02 0.19 0.00 0.00 -2.65 0.00 0.00 178.83 176.39 1ce4 n ALA 33 N -2.63 2.23 -0.33 3.38 0.00 0.26 -2.42 120.51 120.99 1ce4 n ALA 33 Ca 0.14 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.62 1ce4 n ALA 33 Cb 0.46 -1.00 0.06 0.00 0.00 0.00 0.00 19.45 18.97 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 0.62 0.07 0.03 0.00 8.25 -1.14 -5.04 115.22 118.02 1ce4 n HIS 34 Ca 0.00 -0.65 0.00 0.00 -0.26 0.00 0.00 57.72 56.82 1ce4 n HIS 34 Cb 0.36 -0.08 0.02 0.00 1.12 0.00 0.00 29.99 31.40 1ce4 n HIS 34 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98