#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 -0.23 -2.59 2.52 0.31 -1.26 -4.87 118.33 112.20 1yug n VAL 2 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 1yug n VAL 2 Cb 0.00 -2.19 -0.03 0.00 -0.91 0.00 0.00 33.84 30.71 1yug n VAL 2 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1yug s SER 3 N -2.58 6.37 -1.00 4.52 0.15 -1.26 -3.50 113.70 116.40 1yug s SER 3 Ca 0.00 -1.10 0.00 0.00 0.70 0.00 0.00 55.95 55.55 1yug s SER 3 Cb 0.00 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1yug s SER 3 CO 0.00 -1.60 0.00 1.57 1.20 0.00 0.00 173.24 174.41 1yug n HIS 4 N 8.87 -0.07 -3.93 3.44 -0.00 -1.26 -4.96 115.22 117.30 1yug n HIS 4 Ca 0.20 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.62 1yug n HIS 4 Cb 0.50 -1.96 -0.13 0.00 -0.00 0.00 0.00 29.99 28.40 1yug n HIS 4 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1yug s PHE 5 N -2.38 3.30 0.00 1.57 0.08 -1.23 -4.14 117.98 115.19 1yug s PHE 5 Ca 0.00 -3.22 0.00 0.00 0.12 0.00 0.00 56.93 53.83 1yug s PHE 5 Cb 0.00 -2.80 0.00 0.00 -0.57 0.00 0.00 43.02 39.65 1yug s PHE 5 CO 0.00 -0.68 0.00 0.09 -0.10 0.00 0.00 175.22 174.53 1yug n ASN 6 N 2.77 0.00 -1.32 1.36 3.02 -1.12 -4.00 115.26 115.98 1yug n ASN 6 Ca 0.09 -0.58 -0.14 0.00 -0.03 0.00 0.00 54.58 53.92 1yug n ASN 6 Cb 0.33 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.46 1yug n ASN 6 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1yug n ASP 7 N -1.40 -4.50 -4.58 6.41 2.03 -1.26 -4.48 116.55 108.78 1yug n ASP 7 Ca 0.00 0.18 -0.55 0.00 0.52 0.00 0.00 54.79 54.93 1yug n ASP 7 Cb 0.00 -3.43 -0.08 0.00 -0.72 0.00 0.00 41.12 36.89 1yug n ASP 7 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1yug n PRO 9 N 6.55 -1.33 0.00 0.00 -0.04 -1.26 -4.10 135.00 134.82 1yug n PRO 9 Ca 0.34 -0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1yug n PRO 9 Cb 0.15 -0.16 0.00 0.00 -0.04 0.00 0.00 33.50 33.45 1yug n PRO 9 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1yug n ASP 10 N -3.19 0.00 -3.25 3.54 8.00 -1.26 -4.12 116.55 116.27 1yug n ASP 10 Ca 0.01 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.35 1yug n ASP 10 Cb 0.06 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.13 1yug n ASP 10 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1yug n SER 11 N 0.00 -1.59 -2.53 -2.24 2.88 -1.26 -3.08 113.62 105.80 1yug n SER 11 Ca 0.00 -0.17 -0.03 0.00 -1.33 0.00 0.00 58.87 57.34 1yug n SER 11 Cb 0.00 -1.44 -0.03 0.00 -0.75 0.00 0.00 64.21 61.99 1yug n SER 11 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1yug n HIS 12 N -3.17 -3.93 0.00 0.66 -0.00 -1.26 -5.02 115.22 102.51 1yug n HIS 12 Ca 0.03 2.31 0.00 0.00 -0.00 0.00 0.00 57.72 60.06 1yug n HIS 12 Cb 0.49 -3.44 0.00 0.00 -0.00 0.00 0.00 29.99 27.04 1yug n HIS 12 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.34 173.97 1yug n THR 13 N 1.87 0.00 -3.15 1.59 5.66 -1.18 -5.00 114.28 114.07 1yug n THR 13 Ca -0.22 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.60 1yug n THR 13 Cb 0.34 -0.19 -0.03 0.00 -1.55 0.00 0.00 70.33 68.90 1yug n THR 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1yug n GLN 14 N -2.40 0.93 0.06 1.09 6.02 -1.26 -4.88 117.38 116.93 1yug n GLN 14 Ca 0.00 -3.24 0.00 0.00 -0.01 0.00 0.00 57.00 53.75 1yug n GLN 14 Cb 0.00 -1.58 0.00 0.00 1.02 0.00 0.00 30.24 29.68 1yug n GLN 14 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1yug n PHE 15 N 0.50 -2.52 -3.66 1.08 3.72 -1.26 -5.12 117.46 110.20 1yug n PHE 15 Ca 0.23 0.37 -0.07 0.00 -0.05 0.00 0.00 57.45 57.93 1yug n PHE 15 Cb 0.64 1.25 -0.08 0.00 -0.94 0.00 0.00 39.48 40.35 1yug n PHE 15 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1yug n PHE 17 N 4.83 0.41 -2.84 0.00 3.01 -1.23 -4.54 117.46 117.09 1yug n PHE 17 Ca -0.16 0.18 -0.34 0.00 1.01 0.00 0.00 57.45 58.13 1yug n PHE 17 Cb 0.54 -1.03 -0.01 0.00 -0.01 0.00 0.00 39.48 38.96 1yug n PHE 17 CO 0.00 0.00 0.00 -2.39 1.01 0.00 0.00 176.76 175.38 1yug n HIS 18 N -4.33 3.33 -3.47 1.38 1.44 -1.22 -5.00 115.22 107.36 1yug n HIS 18 Ca -0.45 -3.27 -0.12 0.00 -2.01 0.00 0.00 57.72 51.88 1yug n HIS 18 Cb 0.80 -0.87 -0.02 0.00 0.12 0.00 0.00 29.99 30.02 1yug n HIS 18 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 1yug s GLY 19 N -2.34 -0.55 0.97 -1.39 0.00 -1.26 -4.22 107.32 98.52 1yug s GLY 19 Ca 0.43 0.39 -0.14 0.00 0.00 0.00 0.00 44.72 45.40 1yug s GLY 19 CO -0.11 0.10 1.15 -1.59 0.00 0.00 0.00 173.10 172.66 1yug s THR 20 N -3.77 1.94 0.10 0.90 2.01 0.36 -4.88 115.64 112.31 1yug s THR 20 Ca 0.02 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.04 1yug s THR 20 Cb -0.01 -2.71 -0.04 0.00 0.01 0.00 0.00 72.50 69.75 1yug s THR 20 CO -0.11 0.00 -0.08 0.00 -0.69 0.00 0.00 174.62 173.74 1yug s ARG 22 N -3.45 0.53 -0.11 0.00 3.52 0.05 -4.89 118.95 114.60 1yug s ARG 22 Ca 0.10 0.72 -0.02 0.00 -0.13 0.00 0.00 55.73 56.39 1yug s ARG 22 Cb 0.02 0.21 0.04 0.00 -1.56 0.00 0.00 34.95 33.66 1yug s ARG 22 CO -0.03 -0.08 0.01 0.12 -0.81 0.00 0.00 175.30 174.52 1yug s PHE 23 N 0.67 0.79 -0.24 5.12 2.19 -1.26 0.53 117.98 125.78 1yug s PHE 23 Ca -0.02 -0.39 -0.29 0.00 0.33 0.00 0.00 56.93 56.56 1yug s PHE 23 Cb -0.05 -0.88 -0.01 0.00 -1.31 0.00 0.00 43.02 40.78 1yug s PHE 23 CO -0.09 -0.42 1.29 -0.51 1.83 0.00 0.00 175.22 177.32 1yug s LEU 24 N 1.93 4.01 0.25 6.12 1.02 -0.57 -2.78 118.68 128.66 1yug s LEU 24 Ca 0.03 1.42 0.13 0.00 0.02 0.00 0.00 54.13 55.74 1yug s LEU 24 Cb -0.14 -3.54 0.06 0.00 0.02 0.00 0.00 46.19 42.59 1yug s LEU 24 CO -0.06 -0.95 1.43 0.58 0.02 0.00 0.00 176.35 177.37 1yug h VAL 25 N 5.77 1.08 0.00 -1.59 2.07 -1.87 0.47 116.25 122.17 1yug h VAL 25 Ca -0.26 -2.45 -0.06 0.00 0.82 0.00 0.00 66.70 64.74 1yug h VAL 25 Cb 1.10 2.48 -0.01 0.00 -1.52 0.00 0.00 31.29 33.34 1yug h VAL 25 CO 1.01 0.60 -0.30 0.06 0.02 0.00 0.00 177.57 178.96 1yug h GLN 26 N 0.00 0.00 0.00 1.57 3.07 -1.89 -2.95 115.11 114.91 1yug h GLN 26 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.73 1yug h GLN 26 Cb 1.43 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.99 1yug h GLN 26 CO 0.08 0.30 0.00 0.39 0.09 0.00 0.00 178.83 179.69 1yug n GLU 27 N -3.96 1.63 -3.65 0.06 1.02 -1.21 -5.04 120.64 109.49 1yug n GLU 27 Ca -0.02 -1.06 -0.26 0.00 -0.02 0.00 0.00 57.16 55.80 1yug n GLU 27 Cb 0.37 -0.86 0.01 0.00 -0.02 0.00 0.00 31.44 30.93 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 -0.29 -4.60 -3.73 1.62 8.00 0.15 -4.97 116.55 112.73 1yug n ASP 28 Ca 0.00 -0.77 -0.12 0.00 0.71 0.00 0.00 54.79 54.61 1yug n ASP 28 Cb 0.27 -1.49 -0.11 0.00 -0.02 0.00 0.00 41.12 39.77 1yug n ASP 28 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1yug s LYS 29 N -4.28 0.35 0.95 -1.24 -2.85 -0.55 -5.00 119.74 107.11 1yug s LYS 29 Ca 0.07 0.58 -0.12 0.00 -1.00 0.00 0.00 55.97 55.50 1yug s LYS 29 Cb -0.01 0.05 0.16 0.00 -2.06 0.00 0.00 37.83 35.97 1yug s LYS 29 CO 0.84 -0.11 1.09 -1.25 0.10 0.00 0.00 175.35 176.02 1yug s PRO 30 N 0.79 0.85 -0.30 1.78 0.04 -1.26 -1.51 135.00 135.39 1yug s PRO 30 Ca -0.05 0.77 -0.11 0.00 0.04 0.00 0.00 61.00 61.65 1yug s PRO 30 Cb -0.06 -1.77 0.16 0.00 0.04 0.00 0.00 34.50 32.87 1yug s PRO 30 CO -0.06 -2.50 0.80 0.00 0.04 0.00 0.00 177.00 175.28 1yug s ALA 31 N -2.90 -2.44 -0.01 8.56 0.00 0.19 -4.81 121.76 120.36 1yug s ALA 31 Ca 0.64 2.09 -0.05 0.00 0.00 0.00 0.00 51.96 54.64 1yug s ALA 31 Cb -0.19 -2.00 -0.04 0.00 0.00 0.00 0.00 23.12 20.89 1yug s ALA 31 CO 0.58 -1.05 0.23 0.00 0.00 0.00 0.00 175.76 175.52 1yug s VAL 33 N -1.29 0.49 0.29 0.00 1.01 -0.73 -4.96 120.40 115.20 1yug s VAL 33 Ca 0.27 -0.93 0.07 0.00 0.00 0.00 0.00 61.98 61.38 1yug s VAL 33 Cb -0.13 -0.54 -0.06 0.00 0.00 0.00 0.00 36.38 35.65 1yug s VAL 33 CO 0.16 -0.31 -0.06 0.00 0.00 0.00 0.00 175.10 174.89 1yug n HIS 35 N -0.60 0.00 0.00 0.00 8.25 -1.26 -4.77 115.22 116.84 1yug n HIS 35 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1yug n HIS 35 Cb 0.63 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.69 1yug n HIS 35 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1yug n SER 36 N -1.27 0.00 -1.91 0.41 7.64 -1.26 -5.05 113.62 112.18 1yug n SER 36 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 1yug n SER 36 Cb 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.24 1yug n SER 36 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yug n GLY 37 N -0.51 0.23 1.98 0.23 0.00 -1.26 -5.01 105.19 100.84 1yug n GLY 37 Ca 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 46.02 45.72 1yug n GLY 37 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1yug n TYR 38 N -3.02 -1.48 -0.09 1.61 4.11 -1.23 -3.20 117.16 113.86 1yug n TYR 38 Ca -0.05 -0.87 0.00 0.00 -0.00 0.00 0.00 57.90 56.98 1yug n TYR 38 Cb 0.55 0.43 0.00 0.00 -0.00 0.00 0.00 39.34 40.32 1yug n TYR 38 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.86 178.19 1yug n VAL 39 N -0.31 0.00 0.00 -3.48 0.24 -1.06 -4.62 118.33 109.09 1yug n VAL 39 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 1yug n VAL 39 Cb 0.31 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.68 1yug n VAL 39 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1yug n GLY 40 N 5.00 2.24 6.37 7.63 0.00 -1.26 -4.84 105.19 120.33 1yug n GLY 40 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1yug n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yug n ALA 41 N -3.00 0.00 -2.65 4.61 0.00 -1.26 -1.47 120.51 116.74 1yug n ALA 41 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1yug n ALA 41 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 1yug n ALA 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1yug n ARG 42 N 0.00 1.19 -3.27 0.00 1.74 -1.26 -4.96 116.66 110.10 1yug n ARG 42 Ca 0.00 -2.27 -0.23 0.00 -0.77 0.00 0.00 57.85 54.57 1yug n ARG 42 Cb 0.00 -0.49 0.05 0.00 -1.02 0.00 0.00 32.46 31.00 1yug n ARG 42 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yug h GLU 44 N -1.82 0.00 -4.42 0.00 4.81 -1.92 -3.23 114.58 107.99 1yug h GLU 44 Ca -0.54 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.52 1yug h GLU 44 Cb 1.36 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.60 1yug h GLU 44 CO 0.57 0.58 -0.69 -1.58 -0.73 0.00 0.00 179.01 177.17 1yug s HIS 45 N -2.76 0.69 -0.05 0.92 2.46 -1.26 -5.03 115.29 110.26 1yug s HIS 45 Ca -0.01 -1.01 -0.02 0.00 0.47 0.00 0.00 55.06 54.49 1yug s HIS 45 Cb 0.09 -0.45 0.03 0.00 -0.13 0.00 0.00 32.58 32.12 1yug s HIS 45 CO 0.81 -0.29 0.06 0.00 -2.47 0.00 0.00 174.74 172.85 1yug s ALA 46 N -3.80 0.26 -0.43 1.58 0.00 -1.26 -2.57 121.76 115.53 1yug s ALA 46 Ca 0.10 0.16 0.08 0.00 0.00 0.00 0.00 51.96 52.29 1yug s ALA 46 Cb 0.07 -0.64 0.54 0.00 0.00 0.00 0.00 23.12 23.09 1yug s ALA 46 CO -0.07 -0.51 1.43 -0.25 0.00 0.00 0.00 175.76 176.36 1yug n ASP 47 N 5.29 4.07 -0.50 0.00 8.00 -1.26 -4.85 116.55 127.30 1yug n ASP 47 Ca -0.03 -2.77 0.00 0.00 0.71 0.00 0.00 54.79 52.70 1yug n ASP 47 Cb 0.50 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 1yug n ASP 47 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1yug n LEU 48 N 0.15 0.00 0.00 0.64 7.94 -1.19 -4.71 117.00 119.82 1yug n LEU 48 Ca 0.25 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.15 1yug n LEU 48 Cb 1.01 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.96 1yug n LEU 48 CO 0.28 -0.88 0.00 0.18 -1.11 0.00 0.00 177.39 175.86 1yug n LEU 49 N 0.00 0.59 0.00 -1.96 4.32 -1.26 -3.49 117.00 115.20 1yug n LEU 49 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 56.01 56.10 1yug n LEU 49 Cb 0.00 0.00 0.67 0.00 -1.62 0.00 0.00 43.42 42.47 1yug n LEU 49 CO 0.00 0.00 0.86 0.00 -1.22 0.00 0.00 177.39 177.03