#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j8e n SER 2 N 0.00 0.34 -4.77 1.61 3.41 -1.26 -4.84 113.62 108.11 1j8e n SER 2 Ca 0.00 0.55 -0.33 0.00 -0.26 0.00 0.00 58.87 58.82 1j8e n SER 2 Cb 0.00 -0.63 0.03 0.00 -0.26 0.00 0.00 64.21 63.35 1j8e n SER 2 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1j8e s HIS 3 N -3.07 2.66 0.07 7.33 0.09 -1.26 -4.97 115.29 116.14 1j8e s HIS 3 Ca 0.10 1.55 -0.27 0.00 -0.00 0.00 0.00 55.06 56.44 1j8e s HIS 3 Cb 0.14 -3.19 -0.17 0.00 -0.00 0.00 0.00 32.58 29.36 1j8e s HIS 3 CO 0.49 -1.62 1.64 0.77 -0.00 0.00 0.00 174.74 176.02 1j8e h SER 4 N 0.35 -0.36 -2.90 1.40 0.02 -1.99 -3.45 113.55 106.62 1j8e h SER 4 Ca -0.48 -0.01 -0.50 0.00 -0.84 0.00 0.00 61.79 59.96 1j8e h SER 4 Cb 1.25 0.09 -0.14 0.00 0.14 0.00 0.00 62.40 63.74 1j8e h SER 4 CO 0.55 -0.22 -0.72 0.00 -1.14 0.00 0.00 176.83 175.30 1j8e s SER 6 N -3.40 3.02 0.49 0.00 1.04 -1.26 -4.92 113.70 108.67 1j8e s SER 6 Ca 0.26 1.20 0.33 0.00 0.48 0.00 0.00 55.95 58.23 1j8e s SER 6 Cb -0.00 -1.86 1.63 0.00 0.10 0.00 0.00 66.02 65.89 1j8e s SER 6 CO 0.10 -2.88 2.00 0.77 0.98 0.00 0.00 173.24 174.21 1j8e h SER 7 N -1.72 0.00 -0.33 7.02 4.64 -2.01 -2.55 113.55 118.59 1j8e h SER 7 Ca -0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 1j8e h SER 7 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1j8e h SER 7 CO 0.58 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.89 1j8e n THR 8 N -2.77 2.27 -4.38 2.95 -2.24 -1.26 -5.00 114.28 103.86 1j8e n THR 8 Ca -0.01 -1.72 -0.28 0.00 -2.27 0.00 0.00 64.05 59.77 1j8e n THR 8 Cb 0.16 -0.20 -0.12 0.00 -2.10 0.00 0.00 70.33 68.07 1j8e n THR 8 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1j8e s GLN 9 N -2.66 1.59 -0.06 -0.78 -0.21 -0.96 -1.34 119.66 115.22 1j8e s GLN 9 Ca 0.43 -1.38 -0.12 0.00 0.02 0.00 0.00 55.36 54.31 1j8e s GLN 9 Cb 0.34 -1.95 -0.05 0.00 1.00 0.00 0.00 33.01 32.35 1j8e s GLN 9 CO 0.11 0.43 0.31 0.12 -2.12 0.00 0.00 175.29 174.15 1j8e s PHE 10 N -1.38 3.64 -0.41 0.91 5.36 0.31 -4.69 117.98 121.72 1j8e s PHE 10 Ca 0.18 0.79 -0.17 0.00 -0.96 0.00 0.00 56.93 56.78 1j8e s PHE 10 Cb -0.09 -2.21 0.02 0.00 -0.34 0.00 0.00 43.02 40.40 1j8e s PHE 10 CO 0.09 0.59 0.43 0.21 -1.46 0.00 0.00 175.22 175.09 1j8e s LYS 11 N -0.77 3.15 0.76 10.12 2.20 -1.26 -1.51 119.74 132.43 1j8e s LYS 11 Ca 0.20 -0.71 -0.12 0.00 -0.36 0.00 0.00 55.97 54.98 1j8e s LYS 11 Cb -0.15 -3.95 0.05 0.00 -1.51 0.00 0.00 37.83 32.28 1j8e s LYS 11 CO 0.09 -0.82 1.13 0.00 -0.36 0.00 0.00 175.35 175.39 1j8e h ASN 13 N -0.79 0.00 1.12 0.00 2.35 -1.92 -0.33 115.58 116.02 1j8e h ASN 13 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 1j8e h ASN 13 Cb 1.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.62 1j8e h ASN 13 CO 0.50 0.05 -0.03 -1.54 -1.65 0.00 0.00 177.43 174.77 1j8e n SER 14 N -3.75 0.27 0.00 5.81 3.41 -1.26 -4.89 113.62 113.21 1j8e n SER 14 Ca -0.02 0.49 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 1j8e n SER 14 Cb 0.15 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 1j8e n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j8e n GLY 15 N 1.44 0.90 3.76 5.00 0.00 -0.13 -5.07 105.19 111.09 1j8e n GLY 15 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1j8e n GLY 15 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1j8e s ARG 16 N -0.86 3.34 -0.03 1.61 3.52 -1.26 -4.70 118.95 120.57 1j8e s ARG 16 Ca 0.00 1.80 0.02 0.00 -0.13 0.00 0.00 55.73 57.43 1j8e s ARG 16 Cb 0.00 -2.14 -0.03 0.00 -1.56 0.00 0.00 34.95 31.22 1j8e s ARG 16 CO 0.00 -0.91 -0.07 0.00 -0.81 0.00 0.00 175.30 173.51 1j8e s ILE 18 N -0.90 0.15 0.25 0.00 -4.36 -0.57 -4.96 121.20 110.81 1j8e s ILE 18 Ca 0.15 -1.27 -0.31 0.00 -0.26 0.00 0.00 60.65 58.96 1j8e s ILE 18 Cb -0.11 -1.07 -0.14 0.00 1.25 0.00 0.00 42.46 42.39 1j8e s ILE 18 CO 0.04 -0.70 1.30 -2.65 0.24 0.00 0.00 174.94 173.18 1j8e n PRO 19 N 0.55 1.82 -0.13 0.37 -0.02 -1.26 0.11 135.00 136.44 1j8e n PRO 19 Ca -0.18 0.65 0.06 0.00 -2.02 0.00 0.00 63.50 62.01 1j8e n PRO 19 Cb 0.59 -2.23 0.39 0.00 -0.02 0.00 0.00 33.50 32.23 1j8e n PRO 19 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1j8e h GLU 20 N 3.59 0.65 0.00 -0.52 4.11 -1.49 -1.72 114.58 119.20 1j8e h GLU 20 Ca -0.44 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1j8e h GLU 20 Cb 1.30 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1j8e h GLU 20 CO 0.71 0.43 0.00 0.72 0.07 0.00 0.00 179.01 180.94 1j8e n HIS 21 N -4.47 0.00 1.49 2.06 8.25 -1.26 -2.48 115.22 118.81 1j8e n HIS 21 Ca 0.09 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.65 1j8e n HIS 21 Cb 0.20 -0.18 0.44 0.00 1.12 0.00 0.00 29.99 31.57 1j8e n HIS 21 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 1j8e n TRP 22 N -1.18 0.13 -2.60 4.41 7.02 -0.65 -4.87 117.44 119.72 1j8e n TRP 22 Ca 0.08 -0.07 -0.37 0.00 -1.02 0.00 0.00 57.50 56.12 1j8e n TRP 22 Cb 0.08 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 28.92 1j8e n TRP 22 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1j8e s THR 23 N -1.87 3.82 -0.90 -0.99 -4.23 -1.03 -4.03 115.64 106.40 1j8e s THR 23 Ca 0.31 1.46 -0.22 0.00 -1.18 0.00 0.00 61.69 62.06 1j8e s THR 23 Cb 0.16 -3.78 0.03 0.00 1.34 0.00 0.00 72.50 70.25 1j8e s THR 23 CO 0.25 0.07 0.53 0.00 -0.54 0.00 0.00 174.62 174.93 1j8e n ASP 25 N -1.63 1.32 0.00 0.00 5.75 -1.26 -5.00 116.55 115.73 1j8e n ASP 25 Ca -0.13 -1.61 0.00 0.00 -0.01 0.00 0.00 54.79 53.04 1j8e n ASP 25 Cb 0.48 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 1j8e n ASP 25 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1j8e n GLY 26 N -0.30 1.41 3.47 6.12 0.00 -1.26 -5.06 105.19 109.57 1j8e n GLY 26 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1j8e n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j8e s ASP 27 N -1.74 4.00 -1.27 1.61 1.01 -1.26 -5.03 116.67 113.99 1j8e s ASP 27 Ca 0.00 -0.21 -0.13 0.00 0.71 0.00 0.00 52.55 52.92 1j8e s ASP 27 Cb 0.00 -0.83 0.14 0.00 1.01 0.00 0.00 42.92 43.24 1j8e s ASP 27 CO 0.00 0.34 1.69 -3.20 0.21 0.00 0.00 175.17 174.21 1j8e n ASN 28 N 2.28 5.00 0.18 0.27 2.85 -1.26 -4.76 115.26 119.82 1j8e n ASN 28 Ca -0.17 -2.99 0.04 0.00 -0.11 0.00 0.00 54.58 51.35 1j8e n ASN 28 Cb 0.52 -1.59 0.34 0.00 1.24 0.00 0.00 39.78 40.29 1j8e n ASN 28 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 1j8e h ASP 29 N 6.74 0.00 1.18 1.20 5.19 -1.96 -3.04 116.42 125.73 1j8e h ASP 29 Ca 0.39 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.65 1j8e h ASP 29 Cb 0.78 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.27 1j8e h ASP 29 CO 1.45 0.41 -0.70 0.00 -3.12 0.00 0.00 179.24 177.27 1j8e n GLY 31 N 1.12 3.14 0.62 0.00 0.00 -1.15 -4.76 105.19 104.16 1j8e n GLY 31 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.09 1j8e n GLY 31 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1j8e n ASP 32 N 0.13 3.02 0.00 1.61 3.85 -1.26 -4.98 116.55 118.93 1j8e n ASP 32 Ca 0.00 -2.22 0.00 0.00 -0.71 0.00 0.00 54.79 51.86 1j8e n ASP 32 Cb 0.00 -0.28 0.00 0.00 -1.35 0.00 0.00 41.12 39.49 1j8e n ASP 32 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1j8e n TYR 33 N 0.18 0.00 0.29 2.11 9.36 -1.26 -4.86 117.16 122.98 1j8e n TYR 33 Ca 0.13 0.00 0.15 0.00 3.32 0.00 0.00 57.90 61.49 1j8e n TYR 33 Cb 0.51 -1.10 0.88 0.00 -0.63 0.00 0.00 39.34 39.00 1j8e n TYR 33 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1j8e h SER 34 N 0.00 0.00 1.39 2.98 4.64 -1.93 -0.61 113.55 120.02 1j8e h SER 34 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1j8e h SER 34 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1j8e h SER 34 CO 0.00 0.02 -0.05 -0.90 -0.87 0.00 0.00 176.83 175.03 1j8e n ASP 35 N -3.82 0.75 -0.74 4.97 3.85 -1.26 -3.76 116.55 116.54 1j8e n ASP 35 Ca -0.03 0.53 0.07 0.00 -0.71 0.00 0.00 54.79 54.65 1j8e n ASP 35 Cb 0.11 -0.70 0.15 0.00 -1.35 0.00 0.00 41.12 39.33 1j8e n ASP 35 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1j8e n GLU 36 N -2.19 2.30 -1.14 0.11 -0.58 -0.26 -0.10 120.64 118.77 1j8e n GLU 36 Ca 0.06 -1.95 -0.33 0.00 -0.42 0.00 0.00 57.16 54.52 1j8e n GLU 36 Cb 0.42 -1.32 0.12 0.00 -0.57 0.00 0.00 31.44 30.09 1j8e n GLU 36 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1j8e s THR 37 N -1.05 2.37 0.24 2.62 -4.23 -1.08 -4.84 115.64 109.67 1j8e s THR 37 Ca 0.26 0.15 -0.05 0.00 -1.18 0.00 0.00 61.69 60.86 1j8e s THR 37 Cb 0.14 -2.50 0.20 0.00 1.34 0.00 0.00 72.50 71.68 1j8e s THR 37 CO 0.19 -0.13 1.83 -0.74 -0.54 0.00 0.00 174.62 175.23 1j8e h HIS 38 N -0.99 0.88 -0.52 3.99 2.76 -1.95 -2.27 115.15 117.06 1j8e h HIS 38 Ca -0.45 0.03 0.08 0.00 -2.20 0.00 0.00 60.37 57.82 1j8e h HIS 38 Cb 1.28 -0.28 -0.06 0.00 1.55 0.00 0.00 27.41 29.89 1j8e h HIS 38 CO 0.50 0.41 0.15 0.00 -1.30 0.00 0.00 177.93 177.69 1j8e h ALA 39 N 1.42 0.62 -0.12 5.26 0.00 -1.97 -1.87 119.26 122.60 1j8e h ALA 39 Ca 0.37 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 55.26 1j8e h ALA 39 Cb 0.26 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1j8e h ALA 39 CO -0.21 -0.25 -0.43 -0.91 0.00 0.00 0.00 179.25 177.45 1j8e h ASN 40 N 0.31 0.30 -0.52 0.00 2.35 -1.76 -3.04 115.58 113.22 1j8e h ASN 40 Ca 0.26 -0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 1j8e h ASN 40 Cb 0.31 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 1j8e h ASN 40 CO -0.29 0.70 0.22 0.00 -1.65 0.00 0.00 177.43 176.41 1j8e n THR 42 N -4.54 1.15 0.99 0.00 -2.24 -0.77 -1.24 114.28 107.63 1j8e n THR 42 Ca 0.02 0.41 0.12 0.00 -2.27 0.00 0.00 64.05 62.33 1j8e n THR 42 Cb 0.15 -1.33 0.32 0.00 -2.10 0.00 0.00 70.33 67.36 1j8e n THR 42 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1j8e n ASN 43 N -1.92 2.31 -0.61 3.42 3.02 -0.74 -5.12 115.26 115.62 1j8e n ASN 43 Ca 0.01 -1.80 0.13 0.00 -0.03 0.00 0.00 54.58 52.90 1j8e n ASN 43 Cb 0.12 -0.12 0.41 0.00 -0.61 0.00 0.00 39.78 39.59 1j8e n ASN 43 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64