#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vgh n ARG 2 N 0.00 2.71 0.06 0.00 1.74 -1.26 -4.87 116.66 115.05 1vgh n ARG 2 Ca 0.00 0.96 -0.13 0.00 -0.77 0.00 0.00 57.85 57.91 1vgh n ARG 2 Cb 0.00 -2.72 -0.09 0.00 -1.02 0.00 0.00 32.46 28.63 1vgh n ARG 2 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1vgh h GLN 3 N 3.97 -0.15 -2.74 5.56 1.08 -1.89 -3.31 115.11 117.63 1vgh h GLN 3 Ca -0.49 0.01 -0.65 0.00 -1.45 0.00 0.00 58.65 56.07 1vgh h GLN 3 Cb 1.23 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 28.65 1vgh h GLN 3 CO 0.72 0.16 2.87 0.39 -0.95 0.00 0.00 178.83 182.02 1vgh n GLU 4 N -5.02 3.84 -3.51 1.46 -0.58 -1.26 -4.60 120.64 110.97 1vgh n GLU 4 Ca -0.09 -2.57 -0.39 0.00 -0.42 0.00 0.00 57.16 53.70 1vgh n GLU 4 Cb 0.20 -2.65 -0.10 0.00 -0.57 0.00 0.00 31.44 28.32 1vgh n GLU 4 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1vgh s ASN 5 N 1.43 6.11 -1.23 1.62 3.84 -1.25 -5.01 114.94 120.46 1vgh s ASN 5 Ca 0.64 -0.00 -0.19 0.00 0.21 0.00 0.00 52.86 53.52 1vgh s ASN 5 Cb 0.20 -2.16 -0.01 0.00 -0.55 0.00 0.00 41.25 38.74 1vgh s ASN 5 CO -0.08 -0.14 1.91 -0.81 -2.79 0.00 0.00 177.10 175.19 1vgh n PRO 6 N 5.18 2.47 -2.02 0.43 -0.04 -1.26 -4.86 135.00 134.90 1vgh n PRO 6 Ca -0.12 -2.74 -0.29 0.00 -0.04 0.00 0.00 63.50 60.31 1vgh n PRO 6 Cb 0.51 -3.45 0.16 0.00 -0.04 0.00 0.00 33.50 30.69 1vgh n PRO 6 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1vgh s GLY 8 N -4.83 0.60 0.24 0.00 0.00 -1.26 -5.13 107.32 96.94 1vgh s GLY 8 Ca 0.71 -0.91 -0.30 0.00 0.00 0.00 0.00 44.72 44.22 1vgh s GLY 8 CO 0.51 -0.62 1.35 2.56 0.00 0.00 0.00 173.10 176.91 1vgh s PRO 9 N -3.80 4.35 -0.01 2.90 0.04 -1.26 -4.95 135.00 132.27 1vgh s PRO 9 Ca 0.22 2.16 -0.21 0.00 0.04 0.00 0.00 61.00 63.22 1vgh s PRO 9 Cb -0.01 -3.15 -0.25 0.00 0.04 0.00 0.00 34.50 31.13 1vgh s PRO 9 CO 0.10 -0.29 1.05 0.00 0.04 0.00 0.00 177.00 177.90 1vgh n SER 11 N -4.21 -0.68 0.00 0.00 3.41 -1.26 -5.06 113.62 105.82 1vgh n SER 11 Ca -0.11 -1.38 0.00 0.00 -0.26 0.00 0.00 58.87 57.12 1vgh n SER 11 Cb 0.70 -1.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 1vgh n SER 11 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1vgh n GLU 12 N -4.22 0.00 0.00 4.33 0.00 -1.26 -5.01 120.64 114.48 1vgh n GLU 12 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.32 1vgh n GLU 12 Cb 0.59 -0.69 0.00 0.00 0.00 0.00 0.00 31.44 31.34 1vgh n GLU 12 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1vgh n ARG 13 N -0.38 0.00 0.00 5.31 0.63 -1.26 -4.92 116.66 116.04 1vgh n ARG 13 Ca 0.00 0.00 0.08 0.00 -0.92 0.00 0.00 57.85 57.01 1vgh n ARG 13 Cb 0.00 0.00 0.48 0.00 0.45 0.00 0.00 32.46 33.39 1vgh n ARG 13 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1vgh n ARG 14 N -1.90 0.45 -1.03 -0.14 -4.01 -1.26 -3.97 116.66 104.80 1vgh n ARG 14 Ca 0.00 0.04 -0.29 0.00 -1.04 0.00 0.00 57.85 56.55 1vgh n ARG 14 Cb 0.00 -1.50 -0.04 0.00 -3.04 0.00 0.00 32.46 27.88 1vgh n ARG 14 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 1vgh n LYS 15 N -1.08 2.85 0.14 2.89 5.02 -1.26 -4.58 118.16 122.14 1vgh n LYS 15 Ca 0.11 -1.76 0.13 0.00 -2.02 0.00 0.00 58.31 54.77 1vgh n LYS 15 Cb 0.08 -2.57 0.48 0.00 -0.02 0.00 0.00 35.03 33.00 1vgh n LYS 15 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1vgh h HIS 16 N 5.39 0.00 0.00 2.13 3.86 -1.94 -3.04 115.15 121.55 1vgh h HIS 16 Ca 0.65 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.86 1vgh h HIS 16 Cb 0.32 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.79 1vgh h HIS 16 CO 1.89 0.00 0.00 1.28 0.86 0.00 0.00 177.93 181.96 1vgh n LEU 17 N -2.38 0.50 -4.76 2.43 4.77 -1.26 -4.48 117.00 111.82 1vgh n LEU 17 Ca 0.03 0.68 -0.39 0.00 -0.03 0.00 0.00 56.01 56.30 1vgh n LEU 17 Cb 0.30 -0.67 -0.06 0.00 -2.33 0.00 0.00 43.42 40.66 1vgh n LEU 17 CO 0.24 -0.69 0.28 -0.36 -1.33 0.00 0.00 177.39 175.52 1vgh s PHE 18 N -3.36 3.67 -0.07 -1.77 0.40 -1.15 -1.46 117.98 114.25 1vgh s PHE 18 Ca 0.01 1.17 0.03 0.00 -0.60 0.00 0.00 56.93 57.54 1vgh s PHE 18 Cb 0.07 -2.60 -0.02 0.00 0.51 0.00 0.00 43.02 40.98 1vgh s PHE 18 CO 0.26 0.34 -0.13 0.14 0.70 0.00 0.00 175.22 176.52 1vgh s VAL 19 N -0.11 3.13 0.04 -0.44 -7.23 -0.23 -4.95 120.40 110.60 1vgh s VAL 19 Ca 0.31 -0.68 0.00 0.00 -1.81 0.00 0.00 61.98 59.79 1vgh s VAL 19 Cb -0.18 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.47 1vgh s VAL 19 CO 0.16 0.58 0.15 -1.58 -0.31 0.00 0.00 175.10 174.10 1vgh s GLN 20 N -0.52 3.23 -0.29 4.82 0.74 -1.26 -1.49 119.66 124.89 1vgh s GLN 20 Ca 0.07 -0.48 -0.10 0.00 0.05 0.00 0.00 55.36 54.89 1vgh s GLN 20 Cb -0.12 -2.94 -0.03 0.00 1.10 0.00 0.00 33.01 31.02 1vgh s GLN 20 CO 0.02 0.62 0.17 0.34 -0.55 0.00 0.00 175.29 175.88 1vgh s ASP 21 N -2.22 5.75 0.00 6.67 2.15 0.02 -4.99 116.67 124.04 1vgh s ASP 21 Ca 0.30 -0.24 0.23 0.00 0.43 0.00 0.00 52.55 53.27 1vgh s ASP 21 Cb -0.13 -2.06 0.98 0.00 -0.30 0.00 0.00 42.92 41.42 1vgh s ASP 21 CO 0.22 -0.11 1.74 -0.81 -0.17 0.00 0.00 175.17 176.03 1vgh n PRO 22 N 5.02 0.00 -0.07 4.34 -0.04 -1.26 -1.11 135.00 141.89 1vgh n PRO 22 Ca -0.14 0.10 -0.22 0.00 -0.04 0.00 0.00 63.50 63.21 1vgh n PRO 22 Cb 0.51 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.34 1vgh n PRO 22 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1vgh h GLN 23 N 0.00 0.08 0.00 0.54 4.20 -1.81 -3.39 115.11 114.74 1vgh h GLN 23 Ca 0.00 -0.14 -0.09 0.00 0.06 0.00 0.00 58.65 58.48 1vgh h GLN 23 Cb 0.40 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 1vgh h GLN 23 CO 0.00 1.07 -2.06 0.25 -0.67 0.00 0.00 178.83 177.42 1vgh n THR 24 N -4.17 0.36 -0.96 -0.54 -2.24 -1.24 -4.28 114.28 101.21 1vgh n THR 24 Ca -0.31 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 60.88 1vgh n THR 24 Cb 0.78 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 1vgh n THR 24 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vgh s LYS 26 N -0.18 1.90 0.08 0.00 1.02 -1.25 -4.76 119.74 116.55 1vgh s LYS 26 Ca 0.00 0.72 0.01 0.00 0.02 0.00 0.00 55.97 56.73 1vgh s LYS 26 Cb 0.00 -1.89 -0.04 0.00 -0.52 0.00 0.00 37.83 35.38 1vgh s LYS 26 CO 0.00 -1.77 -0.06 0.00 -0.92 0.00 0.00 175.35 172.60 1vgh s SER 28 N -2.74 0.17 0.01 0.00 1.04 -0.55 -4.98 113.70 106.65 1vgh s SER 28 Ca 0.07 -0.37 -0.30 0.00 0.48 0.00 0.00 55.95 55.83 1vgh s SER 28 Cb 0.03 0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.20 1vgh s SER 28 CO -0.04 -0.24 1.02 0.00 0.98 0.00 0.00 173.24 174.96 1vgh h LYS 30 N 6.78 0.62 -6.36 0.00 3.64 -1.62 -3.40 116.57 116.22 1vgh h LYS 30 Ca -0.41 -0.06 -0.57 0.00 -1.27 0.00 0.00 60.65 58.34 1vgh h LYS 30 Cb 1.22 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.86 1vgh h LYS 30 CO 0.76 0.47 0.93 1.21 -2.27 0.00 0.00 179.45 180.56 1vgh s ASN 31 N -5.71 6.74 0.32 4.20 2.47 -1.26 -5.02 114.94 116.68 1vgh s ASN 31 Ca -0.13 1.12 0.07 0.00 0.42 0.00 0.00 52.86 54.34 1vgh s ASN 31 Cb 0.11 -2.54 -0.02 0.00 -1.45 0.00 0.00 41.25 37.34 1vgh s ASN 31 CO 0.74 -1.04 0.32 0.42 -3.72 0.00 0.00 177.10 173.82 1vgh s THR 32 N 4.18 3.80 0.37 -5.21 -4.23 -1.26 -4.93 115.64 108.37 1vgh s THR 32 Ca 0.53 -1.28 0.06 0.00 -1.18 0.00 0.00 61.69 59.82 1vgh s THR 32 Cb -0.15 -3.28 0.29 0.00 1.34 0.00 0.00 72.50 70.70 1vgh s THR 32 CO 0.22 -0.19 1.98 -2.24 -0.54 0.00 0.00 174.62 173.84 1vgh h ASP 33 N 1.20 0.61 -0.27 3.99 2.03 -1.95 -1.70 116.42 120.33 1vgh h ASP 33 Ca -0.46 -0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 55.83 1vgh h ASP 33 Cb 1.25 -0.13 -0.01 0.00 -0.83 0.00 0.00 39.33 39.61 1vgh h ASP 33 CO 0.58 0.41 0.12 -1.28 -1.03 0.00 0.00 179.24 178.03 1vgh h SER 34 N 0.70 0.36 -0.14 4.15 0.87 -1.95 0.47 113.55 118.02 1vgh h SER 34 Ca 0.28 -0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1vgh h SER 34 Cb 0.21 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1vgh h SER 34 CO -0.08 0.40 0.09 -0.09 -0.53 0.00 0.00 176.83 176.61 1vgh h ARG 35 N 0.29 0.19 -0.47 2.24 2.43 -1.82 -0.14 114.38 117.10 1vgh h ARG 35 Ca 0.09 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1vgh h ARG 35 Cb 0.14 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1vgh h ARG 35 CO -0.01 0.16 0.31 0.00 -1.51 0.00 0.00 179.97 178.92 1vgh h LYS 37 N 0.64 0.71 0.00 0.00 3.64 -0.51 0.11 116.57 121.15 1vgh h LYS 37 Ca 0.17 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1vgh h LYS 37 Cb -0.07 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.61 1vgh h LYS 37 CO -0.04 0.55 -0.08 0.00 -2.27 0.00 0.00 179.45 177.61 1vgh h ALA 38 N 1.56 1.28 -0.63 5.00 0.00 -0.73 -0.54 119.26 125.20 1vgh h ALA 38 Ca 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1vgh h ALA 38 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1vgh h ALA 38 CO -0.02 0.10 0.00 0.54 0.00 0.00 0.00 179.25 179.86 1vgh n ARG 39 N -3.59 2.63 -3.41 0.00 5.12 -0.17 -4.98 116.66 112.27 1vgh n ARG 39 Ca -0.02 -2.52 -0.17 0.00 -1.93 0.00 0.00 57.85 53.21 1vgh n ARG 39 Cb 0.19 -1.55 0.09 0.00 -1.16 0.00 0.00 32.46 30.03 1vgh n ARG 39 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1vgh n GLN 40 N 1.59 -6.19 -4.25 5.56 3.00 -0.21 -5.04 117.38 111.84 1vgh n GLN 40 Ca 0.23 0.85 -0.16 0.00 -0.01 0.00 0.00 57.00 57.91 1vgh n GLN 40 Cb 0.61 -5.85 -0.09 0.00 0.00 0.00 0.00 30.24 24.91 1vgh n GLN 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1vgh s LEU 41 N -6.25 1.44 0.13 1.08 1.43 0.21 -4.83 118.68 111.89 1vgh s LEU 41 Ca 0.04 -1.53 0.11 0.00 -1.03 0.00 0.00 54.13 51.72 1vgh s LEU 41 Cb -0.01 0.38 -0.04 0.00 0.03 0.00 0.00 46.19 46.55 1vgh s LEU 41 CO 0.73 -0.91 -0.25 -1.61 0.23 0.00 0.00 176.35 174.54 1vgh s GLU 42 N -3.89 1.49 0.12 1.70 2.02 -0.24 -2.37 118.70 117.53 1vgh s GLU 42 Ca 0.39 -1.32 -0.26 0.00 0.02 0.00 0.00 54.97 53.80 1vgh s GLU 42 Cb 0.05 -1.94 -0.07 0.00 0.10 0.00 0.00 34.13 32.27 1vgh s GLU 42 CO 0.18 0.45 0.79 -1.17 0.02 0.00 0.00 175.26 175.53 1vgh s LEU 43 N -2.11 4.53 -0.40 1.80 2.96 -1.26 -0.66 118.68 123.54 1vgh s LEU 43 Ca 0.15 1.59 -0.22 0.00 -0.22 0.00 0.00 54.13 55.43 1vgh s LEU 43 Cb -0.10 -3.30 0.02 0.00 0.50 0.00 0.00 46.19 43.30 1vgh s LEU 43 CO 0.07 0.11 0.72 0.21 -1.32 0.00 0.00 176.35 176.14 1vgh s ASN 44 N -0.64 6.43 0.56 3.68 3.84 -0.39 -4.94 114.94 123.48 1vgh s ASN 44 Ca 0.38 0.03 0.37 0.00 0.21 0.00 0.00 52.86 53.85 1vgh s ASN 44 Cb -0.22 -2.36 1.89 0.00 -0.55 0.00 0.00 41.25 40.01 1vgh s ASN 44 CO 0.25 -0.76 2.13 -0.33 -2.79 0.00 0.00 177.10 175.60 1vgh h GLU 45 N 8.71 0.00 0.01 0.43 4.39 -1.96 0.20 114.58 126.35 1vgh h GLU 45 Ca -0.25 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.45 1vgh h GLU 45 Cb 1.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 1vgh h GLU 45 CO 0.90 0.00 -0.00 0.00 -1.16 0.00 0.00 179.01 178.75 1vgh h ARG 46 N 0.00 -0.01 0.00 2.33 2.47 -1.97 -3.39 114.38 113.82 1vgh h ARG 46 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1vgh h ARG 46 Cb 0.14 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.46 1vgh h ARG 46 CO 0.00 0.80 -0.82 -2.37 0.56 0.00 0.00 179.97 178.13 1vgh n THR 47 N -4.66 0.00 -3.53 2.04 5.66 -1.20 -5.00 114.28 107.60 1vgh n THR 47 Ca -0.08 -0.21 -0.23 0.00 -3.05 0.00 0.00 64.05 60.48 1vgh n THR 47 Cb 0.39 0.84 0.05 0.00 -1.55 0.00 0.00 70.33 70.06 1vgh n THR 47 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1vgh s ARG 49 N -5.40 1.24 0.13 0.00 0.52 -1.25 -4.75 118.95 109.45 1vgh s ARG 49 Ca 0.34 -1.38 -0.18 0.00 -0.52 0.00 0.00 55.73 54.00 1vgh s ARG 49 Cb -0.08 -1.30 -0.07 0.00 0.52 0.00 0.00 34.95 34.01 1vgh s ARG 49 CO 0.80 0.27 0.60 0.00 0.02 0.00 0.00 175.30 176.98 1vgh s ASP 51 N -1.44 0.47 0.29 0.00 1.47 0.16 -4.94 116.67 112.68 1vgh s ASP 51 Ca 0.35 -0.97 -0.29 0.00 1.18 0.00 0.00 52.55 52.82 1vgh s ASP 51 Cb -0.17 0.20 -0.10 0.00 -0.34 0.00 0.00 42.92 42.51 1vgh s ASP 51 CO 0.20 -0.59 1.25 -0.54 0.68 0.00 0.00 175.17 176.16 1vgh s LYS 52 N -3.81 4.45 0.10 2.11 1.02 -1.26 -1.08 119.74 121.26 1vgh s LYS 52 Ca 0.06 2.07 -0.24 0.00 0.02 0.00 0.00 55.97 57.88 1vgh s LYS 52 Cb 0.07 -3.13 -0.08 0.00 -0.52 0.00 0.00 37.83 34.18 1vgh s LYS 52 CO -0.10 -0.08 1.40 -1.35 -0.92 0.00 0.00 175.35 174.30 1vgh h PRO 53 N 3.88 -0.24 -0.32 -1.68 0.11 -1.92 -3.42 132.00 128.40 1vgh h PRO 53 Ca -0.47 0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 1vgh h PRO 53 Cb 1.22 0.06 -0.15 0.00 0.11 0.00 0.00 31.00 32.23 1vgh h PRO 53 CO 0.68 -0.16 -0.21 -2.13 -0.21 0.00 0.00 178.00 175.97 1vgh n ARG 54 N -4.66 0.24 0.00 1.05 0.00 -1.26 -5.06 116.66 106.97 1vgh n ARG 54 Ca -0.02 -1.10 0.00 0.00 -0.00 0.00 0.00 57.85 56.73 1vgh n ARG 54 Cb 0.24 -0.36 0.00 0.00 0.00 0.00 0.00 32.46 32.34 1vgh n ARG 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17