#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yug n VAL 2 N 0.00 0.00 -1.84 3.34 0.24 -1.26 -4.88 118.33 113.93 1yug n VAL 2 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.88 1yug n VAL 2 Cb 0.00 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.35 1yug n VAL 2 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1yug s SER 3 N 0.00 6.46 0.17 -1.34 1.04 -1.26 -4.99 113.70 113.78 1yug s SER 3 Ca 0.00 2.83 -0.15 0.00 0.48 0.00 0.00 55.95 59.11 1yug s SER 3 Cb 0.00 -2.62 0.02 0.00 0.10 0.00 0.00 66.02 63.52 1yug s SER 3 CO 0.00 -0.87 0.44 -1.38 0.98 0.00 0.00 173.24 172.40 1yug s HIS 4 N 0.38 -0.02 0.33 5.02 0.00 -1.26 -5.06 115.29 114.68 1yug s HIS 4 Ca 0.66 -0.32 0.09 0.00 -3.00 0.00 0.00 55.06 52.48 1yug s HIS 4 Cb -0.46 0.26 -0.05 0.00 -4.00 0.00 0.00 32.58 28.33 1yug s HIS 4 CO 0.42 -0.81 0.08 -0.59 -1.00 0.00 0.00 174.74 172.84 1yug s PHE 5 N -3.88 2.65 0.32 0.38 -0.12 -1.26 -3.46 117.98 112.61 1yug s PHE 5 Ca 0.09 -0.39 0.00 0.00 -0.05 0.00 0.00 56.93 56.59 1yug s PHE 5 Cb 0.01 -1.55 0.00 0.00 -0.63 0.00 0.00 43.02 40.85 1yug s PHE 5 CO -0.05 0.41 0.00 0.09 -0.05 0.00 0.00 175.22 175.63 1yug n ASN 6 N -1.06 -2.85 -4.53 1.98 4.13 -1.26 -4.97 115.26 106.71 1yug n ASN 6 Ca -0.04 0.64 -0.42 0.00 1.68 0.00 0.00 54.58 56.45 1yug n ASN 6 Cb 0.61 2.80 -0.03 0.00 -1.54 0.00 0.00 39.78 41.62 1yug n ASN 6 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1yug s ASP 7 N -1.70 6.36 -0.01 6.41 1.11 -1.26 -4.85 116.67 122.72 1yug s ASP 7 Ca 0.00 -1.14 -0.25 0.00 0.18 0.00 0.00 52.55 51.34 1yug s ASP 7 Cb 0.00 -2.52 -0.19 0.00 1.07 0.00 0.00 42.92 41.28 1yug s ASP 7 CO 0.00 -1.54 1.27 0.00 1.18 0.00 0.00 175.17 176.07 1yug s PRO 9 N -4.45 4.21 -0.24 0.00 0.04 -1.26 -4.45 135.00 128.85 1yug s PRO 9 Ca -0.15 2.07 0.13 0.00 0.04 0.00 0.00 61.00 63.09 1yug s PRO 9 Cb 0.02 -3.86 0.35 0.00 0.04 0.00 0.00 34.50 31.05 1yug s PRO 9 CO 0.63 -0.77 1.35 -0.25 0.04 0.00 0.00 177.00 177.99 1yug n ASP 10 N 6.67 -0.70 0.00 6.66 8.00 -1.26 -4.98 116.55 130.93 1yug n ASP 10 Ca 0.16 -2.13 0.00 0.00 0.71 0.00 0.00 54.79 53.53 1yug n ASP 10 Cb 0.43 0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.88 1yug n ASP 10 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1yug n SER 11 N -0.97 0.00 0.02 -2.24 7.64 -1.26 -4.64 113.62 112.16 1yug n SER 11 Ca -0.14 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.82 1yug n SER 11 Cb 0.85 0.00 0.36 0.00 -1.01 0.00 0.00 64.21 64.41 1yug n SER 11 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1yug n HIS 12 N 0.00 0.11 0.79 1.43 8.25 -1.26 -1.71 115.22 122.82 1yug n HIS 12 Ca 0.00 0.04 0.10 0.00 -0.26 0.00 0.00 57.72 57.60 1yug n HIS 12 Cb 0.00 -0.57 0.45 0.00 1.12 0.00 0.00 29.99 31.00 1yug n HIS 12 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 1yug n THR 13 N -1.60 0.55 0.90 1.59 5.66 -1.26 -2.22 114.28 117.90 1yug n THR 13 Ca 0.04 0.14 0.10 0.00 -3.05 0.00 0.00 64.05 61.28 1yug n THR 13 Cb 0.20 -0.80 0.50 0.00 -1.55 0.00 0.00 70.33 68.68 1yug n THR 13 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 1yug n GLN 14 N -1.42 0.19 -0.02 1.09 -0.06 -0.69 -2.35 117.38 114.12 1yug n GLN 14 Ca 0.07 0.11 0.13 0.00 -2.00 0.00 0.00 57.00 55.30 1yug n GLN 14 Cb 0.20 -1.50 0.59 0.00 -4.06 0.00 0.00 30.24 25.48 1yug n GLN 14 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 1yug n PHE 15 N -1.37 0.05 -3.77 3.69 3.01 -0.94 -4.67 117.46 113.46 1yug n PHE 15 Ca 0.08 -0.03 -0.26 0.00 1.01 0.00 0.00 57.45 58.25 1yug n PHE 15 Cb 0.20 0.00 -0.17 0.00 -0.01 0.00 0.00 39.48 39.50 1yug n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1yug n PHE 17 N 5.06 0.81 -3.29 0.00 7.35 -1.22 -4.75 117.46 121.41 1yug n PHE 17 Ca -0.09 0.22 -0.25 0.00 -0.76 0.00 0.00 57.45 56.58 1yug n PHE 17 Cb 0.48 -1.10 -0.08 0.00 0.35 0.00 0.00 39.48 39.13 1yug n PHE 17 CO 0.00 0.00 0.00 1.58 -0.76 0.00 0.00 176.76 177.58 1yug n HIS 18 N -3.75 -0.94 -3.58 -5.13 -0.00 -1.12 -5.05 115.22 95.64 1yug n HIS 18 Ca -0.37 -3.27 -0.05 0.00 0.46 0.00 0.00 57.72 54.49 1yug n HIS 18 Cb 0.93 0.16 -0.02 0.00 -0.12 0.00 0.00 29.99 30.94 1yug n HIS 18 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 1yug s GLY 19 N -0.32 -0.32 0.57 1.57 0.00 -1.26 -4.17 107.32 103.38 1yug s GLY 19 Ca 0.33 1.47 -0.19 0.00 0.00 0.00 0.00 44.72 46.33 1yug s GLY 19 CO -0.17 0.48 0.95 2.41 0.00 0.00 0.00 173.10 176.78 1yug n THR 20 N -0.13 3.41 -4.49 0.90 -1.04 0.30 -4.77 114.28 108.46 1yug n THR 20 Ca -0.01 -0.50 -0.28 0.00 -2.04 0.00 0.00 64.05 61.21 1yug n THR 20 Cb 0.59 -1.13 -0.17 0.00 -1.82 0.00 0.00 70.33 67.80 1yug n THR 20 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1yug s ARG 22 N 0.94 0.04 -0.25 0.00 0.52 -0.24 -4.81 118.95 115.14 1yug s ARG 22 Ca -0.08 0.54 0.02 0.00 -0.52 0.00 0.00 55.73 55.70 1yug s ARG 22 Cb -0.15 -0.25 0.05 0.00 0.52 0.00 0.00 34.95 35.12 1yug s ARG 22 CO -0.01 -0.29 -0.10 0.12 0.02 0.00 0.00 175.30 175.04 1yug s PHE 23 N 2.15 3.20 -0.53 -0.53 2.19 -1.26 -0.95 117.98 122.26 1yug s PHE 23 Ca 0.01 -2.15 -0.27 0.00 0.33 0.00 0.00 56.93 54.86 1yug s PHE 23 Cb -0.12 -1.96 -0.03 0.00 -1.31 0.00 0.00 43.02 39.61 1yug s PHE 23 CO -0.06 -0.85 1.92 -1.17 1.83 0.00 0.00 175.22 176.89 1yug s LEU 24 N 1.16 3.36 -0.03 6.12 2.96 -0.76 -4.00 118.68 127.50 1yug s LEU 24 Ca -0.06 0.68 -0.17 0.00 -0.22 0.00 0.00 54.13 54.35 1yug s LEU 24 Cb -0.19 -2.77 -0.10 0.00 0.50 0.00 0.00 46.19 43.63 1yug s LEU 24 CO -0.05 -2.28 0.72 0.58 -1.32 0.00 0.00 176.35 174.00 1yug h VAL 25 N 6.97 0.00 -0.96 1.68 2.07 -1.88 0.14 116.25 124.27 1yug h VAL 25 Ca -0.28 -0.53 0.28 0.00 0.82 0.00 0.00 66.70 66.99 1yug h VAL 25 Cb 1.18 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 1yug h VAL 25 CO 1.16 0.00 0.70 1.56 0.02 0.00 0.00 177.57 181.02 1yug h GLN 26 N -1.15 0.00 -2.21 1.57 4.20 -1.89 0.24 115.11 115.87 1yug h GLN 26 Ca -0.06 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.07 1yug h GLN 26 Cb 0.48 0.00 -0.42 0.00 0.30 0.00 0.00 27.48 27.84 1yug h GLN 26 CO 0.10 0.00 -0.73 0.39 -0.67 0.00 0.00 178.83 177.92 1yug n GLU 27 N -4.21 2.61 -0.36 1.46 1.02 -1.16 -5.04 120.64 114.96 1yug n GLU 27 Ca 0.20 -4.52 -0.08 0.00 -0.02 0.00 0.00 57.16 52.74 1yug n GLU 27 Cb 1.04 -2.11 -0.04 0.00 -0.02 0.00 0.00 31.44 30.30 1yug n GLU 27 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1yug n ASP 28 N 0.20 -0.11 -3.51 1.62 9.92 0.85 -4.65 116.55 120.87 1yug n ASP 28 Ca 0.29 -0.03 -0.11 0.00 -0.53 0.00 0.00 54.79 54.41 1yug n ASP 28 Cb 0.44 -0.18 -0.10 0.00 -0.64 0.00 0.00 41.12 40.64 1yug n ASP 28 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1yug s LYS 29 N 1.97 0.28 0.45 -1.24 1.02 -0.37 -4.98 119.74 116.87 1yug s LYS 29 Ca 0.32 0.66 -0.24 0.00 0.02 0.00 0.00 55.97 56.74 1yug s LYS 29 Cb -0.26 -0.28 -0.08 0.00 -0.52 0.00 0.00 37.83 36.69 1yug s LYS 29 CO 0.13 -0.47 1.20 -1.25 -0.92 0.00 0.00 175.35 174.03 1yug s PRO 30 N 2.51 3.81 -0.30 -1.68 0.04 -1.26 -1.82 135.00 136.30 1yug s PRO 30 Ca 0.06 1.87 -0.06 0.00 0.04 0.00 0.00 61.00 62.91 1yug s PRO 30 Cb -0.14 -2.50 0.16 0.00 0.04 0.00 0.00 34.50 32.06 1yug s PRO 30 CO -0.13 -0.54 0.68 0.00 0.04 0.00 0.00 177.00 177.05 1yug s ALA 31 N -1.46 -2.28 0.16 8.56 0.00 -0.12 -4.94 121.76 121.67 1yug s ALA 31 Ca 0.62 2.04 0.10 0.00 0.00 0.00 0.00 51.96 54.72 1yug s ALA 31 Cb -0.31 -2.02 -0.04 0.00 0.00 0.00 0.00 23.12 20.74 1yug s ALA 31 CO 0.38 -1.15 -0.19 0.00 0.00 0.00 0.00 175.76 174.80 1yug s VAL 33 N -1.41 1.46 0.63 0.00 1.01 -0.54 -4.97 120.40 116.58 1yug s VAL 33 Ca 0.20 -0.77 -0.15 0.00 0.00 0.00 0.00 61.98 61.26 1yug s VAL 33 Cb -0.09 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 1yug s VAL 33 CO 0.11 0.42 1.08 0.00 0.00 0.00 0.00 175.10 176.70 1yug n HIS 35 N -2.35 0.00 -3.60 0.00 8.25 -1.26 -4.67 115.22 111.59 1yug n HIS 35 Ca 0.09 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.50 1yug n HIS 35 Cb 0.53 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.61 1yug n HIS 35 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1yug s SER 36 N -1.00 -0.17 -1.53 0.41 0.15 -1.26 -4.98 113.70 105.32 1yug s SER 36 Ca 0.00 0.08 -0.06 0.00 0.70 0.00 0.00 55.95 56.67 1yug s SER 36 Cb 0.00 0.16 0.01 0.00 -1.71 0.00 0.00 66.02 64.48 1yug s SER 36 CO 0.00 -0.23 0.71 0.61 1.20 0.00 0.00 173.24 175.53 1yug n GLY 37 N 0.17 -0.53 3.33 9.45 0.00 -1.26 -4.97 105.19 111.38 1yug n GLY 37 Ca -0.02 0.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 1yug n GLY 37 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1yug s TYR 38 N -3.21 1.69 0.29 1.61 1.51 -1.26 -3.69 117.35 114.29 1yug s TYR 38 Ca 0.36 -1.53 0.03 0.00 -1.01 0.00 0.00 57.07 54.92 1yug s TYR 38 Cb -0.16 -0.80 -0.03 0.00 -0.11 0.00 0.00 41.96 40.86 1yug s TYR 38 CO 0.44 -0.70 0.26 0.08 -1.11 0.00 0.00 175.55 174.52 1yug s VAL 39 N -3.49 0.00 0.00 0.71 1.01 -0.76 -4.61 120.40 113.26 1yug s VAL 39 Ca 0.37 -1.95 0.00 0.00 0.00 0.00 0.00 61.98 60.40 1yug s VAL 39 Cb 0.03 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.90 1yug s VAL 39 CO 0.22 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.93 1yug n GLY 40 N -0.51 -1.64 0.14 4.51 0.00 -1.26 -3.58 105.19 102.85 1yug n GLY 40 Ca 0.05 -1.53 -0.23 0.00 0.00 0.00 0.00 46.02 44.31 1yug n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yug h ALA 41 N 0.00 0.19 0.00 4.61 0.00 -1.99 -3.33 119.26 118.75 1yug h ALA 41 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 54.91 53.74 1yug h ALA 41 Cb 0.00 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1yug h ALA 41 CO 0.00 1.04 -0.22 0.00 0.00 0.00 0.00 179.25 180.06 1yug h ARG 42 N 0.05 0.00 -4.02 0.00 3.08 -1.85 -3.46 114.38 108.18 1yug h ARG 42 Ca -0.35 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.52 1yug h ARG 42 Cb 2.05 0.00 0.09 0.00 0.08 0.00 0.00 29.97 32.19 1yug h ARG 42 CO 0.15 0.00 -0.43 0.00 -1.07 0.00 0.00 179.97 178.62 1yug n GLU 44 N -2.73 0.64 -4.15 0.00 1.02 -1.25 -2.80 120.64 111.37 1yug n GLU 44 Ca -0.16 0.16 -0.32 0.00 -0.02 0.00 0.00 57.16 56.82 1yug n GLU 44 Cb 0.59 -1.72 -0.08 0.00 -0.02 0.00 0.00 31.44 30.22 1yug n GLU 44 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1yug s HIS 45 N -2.77 3.17 -0.37 -0.32 2.46 -1.26 -4.97 115.29 111.24 1yug s HIS 45 Ca -0.05 0.12 -0.02 0.00 0.47 0.00 0.00 55.06 55.57 1yug s HIS 45 Cb 0.08 -1.67 0.09 0.00 -0.13 0.00 0.00 32.58 30.95 1yug s HIS 45 CO 0.83 0.51 0.13 0.00 -2.47 0.00 0.00 174.74 173.74 1yug s ALA 46 N -1.21 3.03 0.17 1.58 0.00 -1.26 -1.83 121.76 122.24 1yug s ALA 46 Ca 0.23 -2.31 0.00 0.00 0.00 0.00 0.00 51.96 49.88 1yug s ALA 46 Cb -0.12 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 20.77 1yug s ALA 46 CO 0.15 -1.64 0.00 -0.40 0.00 0.00 0.00 175.76 173.87 1yug n ASP 47 N 4.57 -4.03 -1.90 0.00 5.68 -1.24 -4.76 116.55 114.87 1yug n ASP 47 Ca -0.05 0.30 -0.20 0.00 -0.50 0.00 0.00 54.79 54.35 1yug n ASP 47 Cb 0.42 -2.41 -0.04 0.00 -1.14 0.00 0.00 41.12 37.94 1yug n ASP 47 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 1yug n LEU 48 N -2.37 -1.68 -2.68 -2.12 7.94 -1.26 -4.84 117.00 110.00 1yug n LEU 48 Ca 0.00 0.21 -0.08 0.00 -1.11 0.00 0.00 56.01 55.04 1yug n LEU 48 Cb 0.58 -2.76 0.06 0.00 0.53 0.00 0.00 43.42 41.84 1yug n LEU 48 CO 0.01 -0.58 0.12 -0.11 -1.11 0.00 0.00 177.39 175.72 1yug n LEU 49 N -2.54 0.19 0.00 -1.96 -0.00 -1.26 -5.18 117.00 106.25 1yug n LEU 49 Ca -0.22 -3.58 0.08 0.00 -0.00 0.00 0.00 56.01 52.29 1yug n LEU 49 Cb 0.66 0.28 0.45 0.00 -0.00 0.00 0.00 43.42 44.81 1yug n LEU 49 CO 0.28 1.66 0.66 0.00 -0.00 0.00 0.00 177.39 180.00