#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vgh s ARG 2 N 0.00 3.93 -1.23 0.00 3.00 -1.26 -4.89 118.95 118.50 1vgh s ARG 2 Ca 0.00 -2.10 -0.20 0.00 0.00 0.00 0.00 55.73 53.44 1vgh s ARG 2 Cb 0.00 -5.25 -0.01 0.00 0.00 0.00 0.00 34.95 29.69 1vgh s ARG 2 CO 0.00 -2.00 1.87 1.04 0.00 0.00 0.00 175.30 176.21 1vgh n GLN 3 N 7.14 2.46 -0.64 3.54 6.02 -1.26 -4.76 117.38 129.87 1vgh n GLN 3 Ca 0.39 -2.82 -0.06 0.00 -0.01 0.00 0.00 57.00 54.50 1vgh n GLN 3 Cb 0.46 -3.53 0.01 0.00 1.02 0.00 0.00 30.24 28.21 1vgh n GLN 3 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1vgh n GLU 4 N 8.05 1.30 -3.72 -1.09 0.28 -1.26 -4.82 120.64 119.38 1vgh n GLU 4 Ca 0.48 -0.58 -0.11 0.00 -0.16 0.00 0.00 57.16 56.78 1vgh n GLU 4 Cb 0.45 -1.23 -0.06 0.00 1.43 0.00 0.00 31.44 32.03 1vgh n GLU 4 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1vgh s ASN 5 N 1.32 -0.16 -1.29 -1.84 4.22 -1.26 -5.08 114.94 110.84 1vgh s ASN 5 Ca 0.11 -0.23 -0.17 0.00 -2.14 0.00 0.00 52.86 50.43 1vgh s ASN 5 Cb 0.09 0.40 0.01 0.00 1.28 0.00 0.00 41.25 43.03 1vgh s ASN 5 CO -0.00 -0.70 2.00 -0.81 -2.04 0.00 0.00 177.10 175.56 1vgh n PRO 6 N 0.30 2.68 -4.27 3.55 -0.04 -1.26 -4.86 135.00 131.10 1vgh n PRO 6 Ca -0.18 -2.71 -0.15 0.00 -0.04 0.00 0.00 63.50 60.43 1vgh n PRO 6 Cb 0.61 -3.35 -0.10 0.00 -0.04 0.00 0.00 33.50 30.62 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 -3.24 2.25 -0.06 0.00 0.00 -1.26 -5.06 107.32 99.94 1vgh s GLY 8 Ca 0.34 -1.55 -0.30 0.00 0.00 0.00 0.00 44.72 43.21 1vgh s GLY 8 CO 0.11 -1.86 1.32 2.56 0.00 0.00 0.00 173.10 175.23 1vgh s PRO 9 N -4.26 4.29 -0.10 2.90 0.04 -1.26 -4.93 135.00 131.67 1vgh s PRO 9 Ca 0.41 1.81 -0.21 0.00 0.04 0.00 0.00 61.00 63.05 1vgh s PRO 9 Cb -0.02 -3.65 -0.28 0.00 0.04 0.00 0.00 34.50 30.59 1vgh s PRO 9 CO 0.25 -0.59 0.68 0.00 0.04 0.00 0.00 177.00 177.38 1vgh s SER 11 N -6.86 3.43 0.20 0.00 0.15 -1.26 -4.99 113.70 104.38 1vgh s SER 11 Ca -0.18 0.47 -0.07 0.00 0.70 0.00 0.00 55.95 56.86 1vgh s SER 11 Cb 0.02 -0.67 0.14 0.00 -1.71 0.00 0.00 66.02 63.80 1vgh s SER 11 CO 0.76 -2.55 1.68 -0.33 1.20 0.00 0.00 173.24 174.00 1vgh h GLU 12 N -1.51 1.03 0.00 5.44 5.08 -1.90 -3.45 114.58 119.27 1vgh h GLU 12 Ca -0.45 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 57.61 1vgh h GLU 12 Cb 1.27 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1vgh h GLU 12 CO 0.47 0.99 0.00 -2.13 -1.00 0.00 0.00 179.01 177.34 1vgh n ARG 13 N -4.19 0.00 -2.78 2.33 0.63 -1.26 -5.04 116.66 106.35 1vgh n ARG 13 Ca 0.03 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.53 1vgh n ARG 13 Cb 0.32 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.23 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 -2.83 3.38 -0.14 -0.14 0.00 -1.26 -4.78 116.66 110.89 1vgh n ARG 14 Ca 0.00 -3.70 0.02 0.00 -0.00 0.00 0.00 57.85 54.16 1vgh n ARG 14 Cb 0.00 -3.08 0.07 0.00 -0.00 0.00 0.00 32.46 29.45 1vgh n ARG 14 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1vgh n LYS 15 N 5.66 1.60 0.21 2.89 0.00 -1.26 -3.90 118.16 123.36 1vgh n LYS 15 Ca 0.39 -0.55 0.07 0.00 -0.00 0.00 0.00 58.31 58.22 1vgh n LYS 15 Cb 0.42 -1.48 0.46 0.00 -0.00 0.00 0.00 35.03 34.43 1vgh n LYS 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1vgh h HIS 16 N 0.75 0.00 0.00 5.58 3.86 -1.90 -1.68 115.15 121.76 1vgh h HIS 16 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1vgh h HIS 16 Cb 0.60 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.07 1vgh h HIS 16 CO 0.17 0.29 0.00 1.28 0.86 0.00 0.00 177.93 180.53 1vgh n LEU 17 N -3.71 0.04 -4.68 2.43 7.99 -1.25 -4.66 117.00 113.17 1vgh n LEU 17 Ca -0.01 0.51 -0.31 0.00 -0.01 0.00 0.00 56.01 56.19 1vgh n LEU 17 Cb 0.40 -0.50 -0.09 0.00 -0.11 0.00 0.00 43.42 43.12 1vgh n LEU 17 CO 0.35 -0.25 -0.34 -0.36 -1.51 0.00 0.00 177.39 175.28 1vgh s PHE 18 N -3.02 3.01 -0.07 -1.77 0.40 -0.70 -1.50 117.98 114.32 1vgh s PHE 18 Ca 0.07 0.01 -0.05 0.00 -0.60 0.00 0.00 56.93 56.36 1vgh s PHE 18 Cb 0.10 -1.59 -0.04 0.00 0.51 0.00 0.00 43.02 42.00 1vgh s PHE 18 CO 0.29 0.46 0.16 0.14 0.70 0.00 0.00 175.22 176.97 1vgh s VAL 19 N -1.19 5.47 -0.01 -0.44 -7.23 -0.01 -4.51 120.40 112.48 1vgh s VAL 19 Ca 0.22 0.05 0.00 0.00 -1.81 0.00 0.00 61.98 60.45 1vgh s VAL 19 Cb -0.12 -3.46 0.01 0.00 0.56 0.00 0.00 36.38 33.37 1vgh s VAL 19 CO 0.14 0.49 0.01 -1.58 -0.31 0.00 0.00 175.10 173.85 1vgh s GLN 20 N -1.44 0.02 -0.14 4.82 0.74 -1.26 -1.53 119.66 120.87 1vgh s GLN 20 Ca 0.21 0.08 -0.29 0.00 0.05 0.00 0.00 55.36 55.40 1vgh s GLN 20 Cb -0.12 -0.15 -0.01 0.00 1.10 0.00 0.00 33.01 33.83 1vgh s GLN 20 CO 0.11 -0.07 0.99 0.34 -0.55 0.00 0.00 175.29 176.10 1vgh s ASP 21 N 0.51 7.18 0.42 6.67 -1.08 -0.63 -4.96 116.67 124.78 1vgh s ASP 21 Ca -0.04 1.46 0.22 0.00 -0.52 0.00 0.00 52.55 53.66 1vgh s ASP 21 Cb -0.06 -2.54 0.89 0.00 -1.46 0.00 0.00 42.92 39.74 1vgh s ASP 21 CO -0.01 -0.48 1.82 1.55 0.52 0.00 0.00 175.17 178.57 1vgh h PRO 22 N 7.19 0.00 0.05 4.34 0.13 -1.97 -0.75 132.00 140.99 1vgh h PRO 22 Ca -0.28 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.58 1vgh h PRO 22 Cb 1.13 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 1vgh h PRO 22 CO 0.88 0.28 -1.44 1.96 -0.23 0.00 0.00 178.00 179.45 1vgh h GLN 23 N 0.00 0.10 0.00 0.86 4.20 -1.95 -3.41 115.11 114.91 1vgh h GLN 23 Ca -0.00 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.54 1vgh h GLN 23 Cb 0.74 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.59 1vgh h GLN 23 CO 0.04 1.08 -1.06 0.25 -0.67 0.00 0.00 178.83 178.46 1vgh n THR 24 N -4.14 0.01 -1.56 -0.54 -2.24 -1.24 -4.97 114.28 99.59 1vgh n THR 24 Ca -0.31 -0.06 -0.15 0.00 -2.27 0.00 0.00 64.05 61.26 1vgh n THR 24 Cb 0.80 0.81 -0.06 0.00 -2.10 0.00 0.00 70.33 69.78 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 -3.51 3.15 -0.06 0.00 2.20 -1.24 -4.78 119.74 115.50 1vgh s LYS 26 Ca 0.00 0.73 -0.05 0.00 -0.36 0.00 0.00 55.97 56.30 1vgh s LYS 26 Cb 0.00 -4.20 -0.04 0.00 -1.51 0.00 0.00 37.83 32.08 1vgh s LYS 26 CO 0.00 -2.10 0.17 0.00 -0.36 0.00 0.00 175.35 173.06 1vgh s SER 28 N -1.53 0.20 0.10 0.00 0.15 -0.59 -5.02 113.70 107.01 1vgh s SER 28 Ca 0.22 -0.44 -0.30 0.00 0.70 0.00 0.00 55.95 56.13 1vgh s SER 28 Cb -0.12 0.12 -0.06 0.00 -1.71 0.00 0.00 66.02 64.25 1vgh s SER 28 CO 0.12 -0.32 1.01 0.00 1.20 0.00 0.00 173.24 175.25 1vgh h LYS 30 N 5.79 -0.19 -6.48 0.00 3.11 -1.60 -3.44 116.57 113.76 1vgh h LYS 30 Ca -0.43 0.01 -0.53 0.00 -2.81 0.00 0.00 60.65 56.89 1vgh h LYS 30 Cb 1.21 0.04 0.02 0.00 -1.00 0.00 0.00 32.23 32.50 1vgh h LYS 30 CO 0.73 0.26 0.81 1.21 -2.81 0.00 0.00 179.45 179.65 1vgh s ASN 31 N -5.48 6.78 0.28 4.20 2.47 -1.25 -5.03 114.94 116.90 1vgh s ASN 31 Ca -0.14 2.31 0.08 0.00 0.42 0.00 0.00 52.86 55.53 1vgh s ASN 31 Cb 0.01 -2.58 -0.04 0.00 -1.45 0.00 0.00 41.25 37.19 1vgh s ASN 31 CO 0.54 -0.72 0.11 0.42 -3.72 0.00 0.00 177.10 173.72 1vgh s THR 32 N 1.76 3.74 0.36 -5.21 -4.23 -1.26 -4.95 115.64 105.85 1vgh s THR 32 Ca 0.66 -1.67 0.10 0.00 -1.18 0.00 0.00 61.69 59.60 1vgh s THR 32 Cb -0.36 -3.08 0.11 0.00 1.34 0.00 0.00 72.50 70.51 1vgh s THR 32 CO 0.29 -0.32 1.84 -0.78 -0.54 0.00 0.00 174.62 175.11 1vgh h ASP 33 N 1.66 0.15 -0.23 3.99 3.58 -1.96 -2.00 116.42 121.62 1vgh h ASP 33 Ca -0.46 -0.05 -0.01 0.00 0.42 0.00 0.00 57.03 56.94 1vgh h ASP 33 Cb 1.25 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.24 1vgh h ASP 33 CO 0.61 0.43 0.09 0.77 -2.88 0.00 0.00 179.24 178.26 1vgh h SER 34 N 0.14 0.32 -0.40 2.28 4.64 -1.96 0.44 113.55 119.02 1vgh h SER 34 Ca 0.02 -0.17 0.02 0.00 -0.47 0.00 0.00 61.79 61.19 1vgh h SER 34 Cb 0.56 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.54 1vgh h SER 34 CO 0.04 0.40 0.23 0.03 -0.87 0.00 0.00 176.83 176.66 1vgh h ARG 35 N 0.22 0.45 -0.38 4.77 2.47 -1.92 -1.43 114.38 118.56 1vgh h ARG 35 Ca 0.08 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 1vgh h ARG 35 Cb 0.18 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.38 1vgh h ARG 35 CO -0.01 0.30 0.24 0.00 0.56 0.00 0.00 179.97 181.07 1vgh h LYS 37 N 0.51 0.38 -0.03 0.00 3.64 -0.20 0.07 116.57 120.94 1vgh h LYS 37 Ca 0.14 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1vgh h LYS 37 Cb -0.03 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1vgh h LYS 37 CO -0.03 0.31 0.02 0.00 -2.27 0.00 0.00 179.45 177.48 1vgh h ALA 38 N 1.75 2.00 -0.65 5.00 0.00 -1.05 -0.41 119.26 125.91 1vgh h ALA 38 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1vgh h ALA 38 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1vgh h ALA 38 CO -0.01 -0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.78 1vgh n ARG 39 N -4.53 3.95 -3.51 0.00 3.00 -0.23 -4.96 116.66 110.38 1vgh n ARG 39 Ca -0.03 -2.96 -0.19 0.00 -0.01 0.00 0.00 57.85 54.67 1vgh n ARG 39 Cb 0.10 -1.96 0.08 0.00 0.00 0.00 0.00 32.46 30.67 1vgh n ARG 39 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1vgh n GLN 40 N 1.09 -6.51 -4.38 5.56 3.00 -0.16 -5.03 117.38 110.95 1vgh n GLN 40 Ca 0.27 0.80 -0.21 0.00 -0.01 0.00 0.00 57.00 57.85 1vgh n GLN 40 Cb 0.95 -5.75 -0.09 0.00 0.00 0.00 0.00 30.24 25.35 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 -6.56 1.80 0.05 1.08 1.43 -0.16 -4.54 118.68 111.78 1vgh s LEU 41 Ca 0.09 -1.63 0.02 0.00 -1.03 0.00 0.00 54.13 51.59 1vgh s LEU 41 Cb -0.04 0.16 -0.02 0.00 0.03 0.00 0.00 46.19 46.31 1vgh s LEU 41 CO 0.75 -0.93 -0.08 -1.61 0.23 0.00 0.00 176.35 174.71 1vgh s GLU 42 N -3.71 0.55 0.02 1.70 2.02 -0.25 -1.92 118.70 117.11 1vgh s GLU 42 Ca 0.33 -0.79 -0.30 0.00 0.02 0.00 0.00 54.97 54.23 1vgh s GLU 42 Cb 0.04 -0.30 -0.05 0.00 0.10 0.00 0.00 34.13 33.92 1vgh s GLU 42 CO 0.18 0.05 1.18 -1.17 0.02 0.00 0.00 175.26 175.53 1vgh s LEU 43 N -1.65 4.34 -0.50 1.80 2.96 -1.26 -1.00 118.68 123.36 1vgh s LEU 43 Ca -0.09 1.92 -0.22 0.00 -0.22 0.00 0.00 54.13 55.52 1vgh s LEU 43 Cb -0.09 -3.57 0.04 0.00 0.50 0.00 0.00 46.19 43.07 1vgh s LEU 43 CO 0.00 -0.49 0.79 0.21 -1.32 0.00 0.00 176.35 175.54 1vgh s ASN 44 N 1.21 6.32 0.66 3.68 3.84 -0.53 -4.95 114.94 125.17 1vgh s ASN 44 Ca 0.57 -0.44 0.39 0.00 0.21 0.00 0.00 52.86 53.59 1vgh s ASN 44 Cb -0.27 -2.37 2.12 0.00 -0.55 0.00 0.00 41.25 40.17 1vgh s ASN 44 CO 0.27 -1.02 2.19 -0.33 -2.79 0.00 0.00 177.10 175.42 1vgh h GLU 45 N 9.10 0.00 0.00 0.43 4.39 -1.95 0.30 114.58 126.85 1vgh h GLU 45 Ca -0.26 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.44 1vgh h GLU 45 Cb 1.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1vgh h GLU 45 CO 1.00 0.00 -0.00 0.00 -1.16 0.00 0.00 179.01 178.85 1vgh h ARG 46 N 0.00 -0.00 0.00 2.33 3.08 -1.97 -3.37 114.38 114.46 1vgh h ARG 46 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1vgh h ARG 46 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1vgh h ARG 46 CO 0.00 0.93 -1.64 -2.37 -1.07 0.00 0.00 179.97 175.82 1vgh n THR 47 N -4.64 0.06 -3.76 2.04 5.66 -1.11 -4.15 114.28 108.38 1vgh n THR 47 Ca -0.10 -0.38 -0.27 0.00 -3.05 0.00 0.00 64.05 60.25 1vgh n THR 47 Cb 0.45 0.20 0.02 0.00 -1.55 0.00 0.00 70.33 69.45 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 -6.12 1.82 -0.16 0.00 0.52 -1.25 -4.68 118.95 109.09 1vgh s ARG 49 Ca 0.22 -1.75 -0.21 0.00 -0.52 0.00 0.00 55.73 53.47 1vgh s ARG 49 Cb -0.08 -1.82 -0.03 0.00 0.52 0.00 0.00 34.95 33.54 1vgh s ARG 49 CO 0.86 0.28 0.61 0.00 0.02 0.00 0.00 175.30 177.07 1vgh n ASP 51 N 4.61 0.41 -4.63 0.00 8.00 -0.17 -4.91 116.55 119.86 1vgh n ASP 51 Ca -0.02 -2.47 -0.45 0.00 0.71 0.00 0.00 54.79 52.56 1vgh n ASP 51 Cb 0.50 0.89 -0.02 0.00 -0.02 0.00 0.00 41.12 42.47 1vgh n ASP 51 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1vgh n LYS 52 N -0.53 1.67 -2.22 -1.24 5.02 -1.26 -1.09 118.16 118.51 1vgh n LYS 52 Ca 0.00 0.59 -0.41 0.00 -2.02 0.00 0.00 58.31 56.47 1vgh n LYS 52 Cb 0.41 -2.13 -0.03 0.00 -0.02 0.00 0.00 35.03 33.27 1vgh n LYS 52 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1vgh s PRO 53 N -0.91 3.09 -1.07 1.97 0.04 -1.26 -4.32 135.00 132.54 1vgh s PRO 53 Ca 0.65 0.65 -0.22 0.00 0.04 0.00 0.00 61.00 62.12 1vgh s PRO 53 Cb -0.70 -4.22 0.05 0.00 0.04 0.00 0.00 34.50 29.67 1vgh s PRO 53 CO 0.55 -2.19 1.51 0.50 0.04 0.00 0.00 177.00 177.42 1vgh s ARG 54 N 6.03 3.65 0.00 4.56 6.06 -1.26 -4.98 118.95 133.01 1vgh s ARG 54 Ca 0.61 -1.28 0.00 0.00 -2.50 0.00 0.00 55.73 52.56 1vgh s ARG 54 Cb -0.13 -5.39 0.00 0.00 0.06 0.00 0.00 34.95 29.49 1vgh s ARG 54 CO 0.25 -2.24 0.00 2.89 -2.50 0.00 0.00 175.30 173.70