#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 0.26 -1.42 0.00 1.85 -1.26 -4.68 116.66 111.41 1vgh n ARG 2 Ca 0.00 -0.05 -0.39 0.00 -1.00 0.00 0.00 57.85 56.41 1vgh n ARG 2 Cb 0.00 -1.54 -0.03 0.00 -1.05 0.00 0.00 32.46 29.85 1vgh n ARG 2 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1vgh n GLN 3 N -1.85 3.76 -3.83 2.89 3.00 -1.26 -4.79 117.38 115.30 1vgh n GLN 3 Ca 0.01 -2.38 -0.07 0.00 -0.01 0.00 0.00 57.00 54.56 1vgh n GLN 3 Cb 0.43 -2.81 0.02 0.00 0.00 0.00 0.00 30.24 27.87 1vgh n GLN 3 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 1vgh s GLU 4 N 1.84 1.88 -0.45 -1.09 -1.05 -1.26 -5.12 118.70 113.45 1vgh s GLU 4 Ca 0.67 -1.20 0.06 0.00 -0.15 0.00 0.00 54.97 54.34 1vgh s GLU 4 Cb 0.18 0.53 0.20 0.00 -0.44 0.00 0.00 34.13 34.59 1vgh s GLU 4 CO -0.07 -0.88 0.54 0.27 0.95 0.00 0.00 175.26 176.07 1vgh n ASN 5 N -1.30 -1.47 -4.58 0.83 6.94 -1.26 -5.11 115.26 109.30 1vgh n ASN 5 Ca -0.06 -2.67 -0.53 0.00 -0.02 0.00 0.00 54.58 51.29 1vgh n ASN 5 Cb 0.60 0.33 -0.06 0.00 -2.36 0.00 0.00 39.78 38.28 1vgh n ASN 5 CO 0.00 0.00 0.00 -2.65 -1.03 0.00 0.00 177.26 173.58 1vgh n PRO 6 N 2.51 0.97 -2.35 -0.53 -0.02 -1.26 -4.61 135.00 129.72 1vgh n PRO 6 Ca 0.23 0.35 -0.25 0.00 -2.02 0.00 0.00 63.50 61.81 1vgh n PRO 6 Cb 0.53 -1.97 0.12 0.00 -0.02 0.00 0.00 33.50 32.15 1vgh n PRO 6 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1vgh s GLY 8 N -4.73 1.60 0.46 0.00 0.00 -1.26 -5.02 107.32 98.37 1vgh s GLY 8 Ca 0.67 -0.65 -0.23 0.00 0.00 0.00 0.00 44.72 44.51 1vgh s GLY 8 CO 0.46 -0.08 1.17 2.56 0.00 0.00 0.00 173.10 177.22 1vgh s PRO 9 N -5.44 3.76 -0.17 2.90 0.04 -1.26 -4.98 135.00 129.86 1vgh s PRO 9 Ca 0.65 1.79 -0.22 0.00 0.04 0.00 0.00 61.00 63.25 1vgh s PRO 9 Cb -0.12 -2.42 -0.23 0.00 0.04 0.00 0.00 34.50 31.77 1vgh s PRO 9 CO 0.52 -0.55 0.45 0.00 0.04 0.00 0.00 177.00 177.46 1vgh n SER 11 N -4.37 0.00 0.00 0.00 3.41 -1.26 -5.12 113.62 106.28 1vgh n SER 11 Ca -0.24 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 1vgh n SER 11 Cb 0.67 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 1vgh n SER 11 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1vgh n GLU 12 N -0.90 0.00 0.02 4.33 -0.00 -1.26 -5.09 120.64 117.74 1vgh n GLU 12 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.16 56.99 1vgh n GLU 12 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 31.44 31.30 1vgh n GLU 12 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.13 177.20 1vgh h ARG 13 N 0.00 0.21 -1.50 3.44 0.11 -1.99 -3.36 114.38 111.29 1vgh h ARG 13 Ca 0.00 -0.35 -0.55 0.00 0.10 0.00 0.00 59.98 59.18 1vgh h ARG 13 Cb 0.00 0.13 -0.22 0.00 1.11 0.00 0.00 29.97 30.99 1vgh h ARG 13 CO 0.00 1.02 0.67 -2.13 0.10 0.00 0.00 179.97 179.63 1vgh n ARG 14 N -3.38 2.36 0.00 0.08 3.00 -1.26 -4.78 116.66 112.69 1vgh n ARG 14 Ca -0.23 -2.60 0.00 0.00 -0.00 0.00 0.00 57.85 55.02 1vgh n ARG 14 Cb 1.05 -2.04 0.00 0.00 0.00 0.00 0.00 32.46 31.47 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 -0.13 0.84 0.30 -0.14 0.00 -1.26 -4.26 118.16 113.51 1vgh n LYS 15 Ca 0.48 0.00 0.18 0.00 -0.00 0.00 0.00 58.31 58.97 1vgh n LYS 15 Cb 0.55 -1.36 0.92 0.00 -0.00 0.00 0.00 35.03 35.14 1vgh n LYS 15 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.40 178.52 1vgh h HIS 16 N 0.19 0.00 -0.08 5.58 2.07 -1.95 0.04 115.15 121.00 1vgh h HIS 16 Ca 0.00 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.49 1vgh h HIS 16 Cb 0.49 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.47 1vgh h HIS 16 CO 0.00 0.04 -0.10 -0.07 -3.07 0.00 0.00 177.93 174.73 1vgh h LEU 17 N 0.00 0.11 -9.69 6.12 -0.00 -1.88 -3.43 115.31 106.54 1vgh h LEU 17 Ca -0.00 -0.02 -0.58 0.00 -0.00 0.00 0.00 57.88 57.29 1vgh h LEU 17 Cb 0.21 -0.03 -0.04 0.00 -0.00 0.00 0.00 40.66 40.80 1vgh h LEU 17 CO 0.01 0.23 -0.05 -0.36 -0.00 0.00 0.00 178.44 178.26 1vgh s PHE 18 N -4.81 3.80 -0.13 1.13 0.40 -0.00 -1.99 117.98 116.37 1vgh s PHE 18 Ca -0.05 1.24 -0.02 0.00 -0.60 0.00 0.00 56.93 57.50 1vgh s PHE 18 Cb 0.16 -2.48 -0.02 0.00 0.51 0.00 0.00 43.02 41.19 1vgh s PHE 18 CO 0.71 0.59 -0.07 0.14 0.70 0.00 0.00 175.22 177.29 1vgh s VAL 19 N -1.07 3.63 -0.03 -0.44 -7.23 -0.16 -4.93 120.40 110.16 1vgh s VAL 19 Ca 0.28 -0.46 0.07 0.00 -1.81 0.00 0.00 61.98 60.06 1vgh s VAL 19 Cb -0.19 -2.56 -0.02 0.00 0.56 0.00 0.00 36.38 34.17 1vgh s VAL 19 CO 0.18 0.52 -0.24 -1.58 -0.31 0.00 0.00 175.10 173.68 1vgh s GLN 20 N 0.13 2.28 -0.13 4.82 0.74 -1.26 -1.38 119.66 124.87 1vgh s GLN 20 Ca -0.03 -0.89 -0.27 0.00 0.05 0.00 0.00 55.36 54.23 1vgh s GLN 20 Cb -0.14 -2.13 -0.02 0.00 1.10 0.00 0.00 33.01 31.83 1vgh s GLN 20 CO 0.03 0.53 0.89 0.34 -0.55 0.00 0.00 175.29 176.54 1vgh s ASP 21 N -0.53 7.09 0.47 6.67 -1.08 -0.42 -4.96 116.67 123.91 1vgh s ASP 21 Ca 0.07 1.34 0.26 0.00 -0.52 0.00 0.00 52.55 53.71 1vgh s ASP 21 Cb -0.11 -2.50 1.00 0.00 -1.46 0.00 0.00 42.92 39.86 1vgh s ASP 21 CO 0.00 -0.38 1.85 1.55 0.52 0.00 0.00 175.17 178.71 1vgh h PRO 22 N 7.15 0.00 0.12 4.34 0.13 -1.90 0.28 132.00 142.12 1vgh h PRO 22 Ca -0.32 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.47 1vgh h PRO 22 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1vgh h PRO 22 CO 0.83 0.16 -1.83 1.96 -0.23 0.00 0.00 178.00 178.89 1vgh h GLN 23 N 0.00 0.25 0.00 0.86 1.08 -1.93 -3.39 115.11 111.98 1vgh h GLN 23 Ca -0.00 -0.43 0.00 0.00 -1.45 0.00 0.00 58.65 56.77 1vgh h GLN 23 Cb 0.70 0.16 0.00 0.00 -0.05 0.00 0.00 27.48 28.29 1vgh h GLN 23 CO 0.02 1.20 -1.71 0.25 -0.95 0.00 0.00 178.83 177.64 1vgh n THR 24 N -3.66 0.04 -1.10 -0.54 -2.24 -1.24 -4.99 114.28 100.56 1vgh n THR 24 Ca -0.30 -0.40 -0.04 0.00 -2.27 0.00 0.00 64.05 61.04 1vgh n THR 24 Cb 0.99 0.18 -0.02 0.00 -2.10 0.00 0.00 70.33 69.39 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 -1.69 4.27 -0.07 0.00 2.20 -1.25 -4.75 119.74 118.47 1vgh s LYS 26 Ca 0.00 1.93 -0.06 0.00 -0.36 0.00 0.00 55.97 57.48 1vgh s LYS 26 Cb 0.00 -3.63 -0.04 0.00 -1.51 0.00 0.00 37.83 32.65 1vgh s LYS 26 CO 0.00 -0.60 0.18 0.00 -0.36 0.00 0.00 175.35 174.57 1vgh s SER 28 N -1.38 0.05 -0.02 0.00 0.01 -0.48 -4.99 113.70 106.89 1vgh s SER 28 Ca 0.20 -0.10 -0.27 0.00 1.31 0.00 0.00 55.95 57.09 1vgh s SER 28 Cb -0.13 0.04 -0.03 0.00 0.21 0.00 0.00 66.02 66.11 1vgh s SER 28 CO 0.10 -0.08 0.86 0.00 0.41 0.00 0.00 173.24 174.54 1vgh h LYS 30 N 6.73 0.96 -6.82 0.00 3.64 -1.76 -3.44 116.57 115.87 1vgh h LYS 30 Ca -0.41 -0.38 -0.48 0.00 -1.27 0.00 0.00 60.65 58.11 1vgh h LYS 30 Cb 1.21 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 1vgh h LYS 30 CO 0.75 1.05 0.23 1.21 -2.27 0.00 0.00 179.45 180.42 1vgh s ASN 31 N -6.62 7.04 0.13 4.20 2.47 -1.26 -5.08 114.94 115.81 1vgh s ASN 31 Ca -0.12 1.57 0.00 0.00 0.42 0.00 0.00 52.86 54.74 1vgh s ASN 31 Cb 0.12 -2.48 -0.04 0.00 -1.45 0.00 0.00 41.25 37.39 1vgh s ASN 31 CO 0.86 -0.15 0.01 0.42 -3.72 0.00 0.00 177.10 174.52 1vgh s THR 32 N -1.83 0.34 0.39 -5.21 -4.23 -1.26 -5.01 115.64 98.83 1vgh s THR 32 Ca 0.53 -1.92 0.13 0.00 -1.18 0.00 0.00 61.69 59.25 1vgh s THR 32 Cb -0.14 -1.94 0.11 0.00 1.34 0.00 0.00 72.50 71.87 1vgh s THR 32 CO 0.19 -0.60 1.86 -0.78 -0.54 0.00 0.00 174.62 174.75 1vgh h ASP 33 N 2.87 0.01 -0.25 3.99 3.58 -1.96 -1.49 116.42 123.16 1vgh h ASP 33 Ca -0.35 -0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.06 1vgh h ASP 33 Cb 1.19 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.23 1vgh h ASP 33 CO 0.62 0.34 0.04 0.77 -2.88 0.00 0.00 179.24 178.13 1vgh h SER 34 N 0.00 0.40 -0.06 2.28 4.64 -1.96 0.51 113.55 119.37 1vgh h SER 34 Ca -0.00 -0.26 -0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1vgh h SER 34 Cb 0.59 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1vgh h SER 34 CO 0.04 0.56 0.03 0.03 -0.87 0.00 0.00 176.83 176.62 1vgh h ARG 35 N 0.23 0.08 -0.40 4.77 3.08 -1.92 -0.49 114.38 119.72 1vgh h ARG 35 Ca 0.08 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.15 1vgh h ARG 35 Cb 0.33 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 1vgh h ARG 35 CO 0.00 0.12 0.20 0.00 -1.07 0.00 0.00 179.97 179.22 1vgh h LYS 37 N 0.40 1.04 -0.02 0.00 3.64 -0.48 0.16 116.57 121.31 1vgh h LYS 37 Ca 0.17 -0.20 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1vgh h LYS 37 Cb 0.08 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1vgh h LYS 37 CO -0.12 0.88 0.02 0.00 -2.27 0.00 0.00 179.45 177.95 1vgh h ALA 38 N 1.24 1.81 -0.65 5.00 0.00 -0.84 -0.73 119.26 125.08 1vgh h ALA 38 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1vgh h ALA 38 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1vgh h ALA 38 CO -0.01 -0.03 0.00 0.54 0.00 0.00 0.00 179.25 179.75 1vgh n ARG 39 N -4.22 3.68 -3.46 0.00 1.74 -0.25 -4.96 116.66 109.19 1vgh n ARG 39 Ca -0.02 -2.84 -0.18 0.00 -0.77 0.00 0.00 57.85 54.04 1vgh n ARG 39 Cb 0.11 -1.88 0.09 0.00 -1.02 0.00 0.00 32.46 29.75 1vgh n ARG 39 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1vgh n GLN 40 N 1.16 -6.76 -3.83 5.56 3.00 -0.28 -5.02 117.38 111.21 1vgh n GLN 40 Ca 0.26 0.84 -0.16 0.00 -0.01 0.00 0.00 57.00 57.93 1vgh n GLN 40 Cb 0.88 -5.86 -0.06 0.00 0.00 0.00 0.00 30.24 25.19 1vgh n GLN 40 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1vgh n LEU 41 N -4.24 0.00 -3.99 1.08 4.77 0.39 -4.18 117.00 110.83 1vgh n LEU 41 Ca -0.25 -2.61 -0.12 0.00 -0.03 0.00 0.00 56.01 53.00 1vgh n LEU 41 Cb 0.66 1.45 -0.12 0.00 -2.33 0.00 0.00 43.42 43.08 1vgh n LEU 41 CO 0.62 -0.45 -0.38 -1.61 -1.33 0.00 0.00 177.39 174.24 1vgh s GLU 42 N -3.09 0.37 -0.01 3.23 2.02 -0.10 -2.32 118.70 118.79 1vgh s GLU 42 Ca 0.32 -0.54 -0.30 0.00 0.02 0.00 0.00 54.97 54.48 1vgh s GLU 42 Cb 0.01 -0.12 -0.03 0.00 0.10 0.00 0.00 34.13 34.10 1vgh s GLU 42 CO 0.23 0.01 1.00 -1.17 0.02 0.00 0.00 175.26 175.36 1vgh s LEU 43 N -1.16 4.35 -0.65 1.80 2.96 -1.26 -0.35 118.68 124.37 1vgh s LEU 43 Ca -0.10 1.67 -0.22 0.00 -0.22 0.00 0.00 54.13 55.27 1vgh s LEU 43 Cb -0.08 -3.57 0.08 0.00 0.50 0.00 0.00 46.19 43.12 1vgh s LEU 43 CO -0.00 -0.31 0.92 0.21 -1.32 0.00 0.00 176.35 175.84 1vgh s ASN 44 N 1.04 6.18 0.63 3.68 2.47 -0.37 -4.93 114.94 123.64 1vgh s ASN 44 Ca 0.52 -1.09 0.29 0.00 0.42 0.00 0.00 52.86 52.99 1vgh s ASN 44 Cb -0.21 -2.40 1.53 0.00 -1.45 0.00 0.00 41.25 38.72 1vgh s ASN 44 CO 0.26 -1.37 1.90 -0.33 -3.72 0.00 0.00 177.10 173.84 1vgh h GLU 45 N 9.48 0.00 0.08 0.43 3.07 -1.93 0.33 114.58 126.04 1vgh h GLU 45 Ca -0.28 0.00 -0.25 0.00 -0.50 0.00 0.00 59.36 58.32 1vgh h GLU 45 Cb 1.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.98 1vgh h GLU 45 CO 1.17 0.00 -1.12 0.00 -1.40 0.00 0.00 179.01 177.65 1vgh h ARG 46 N 0.00 0.28 0.00 2.33 3.08 -1.96 -3.33 114.38 114.79 1vgh h ARG 46 Ca 0.10 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1vgh h ARG 46 Cb 0.91 0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1vgh h ARG 46 CO -0.00 1.15 -1.38 0.25 -1.07 0.00 0.00 179.97 178.92 1vgh n THR 47 N -3.59 0.00 -3.99 2.04 -2.24 -0.78 -4.84 114.28 100.89 1vgh n THR 47 Ca -0.07 -0.28 -0.30 0.00 -2.27 0.00 0.00 64.05 61.13 1vgh n THR 47 Cb 0.95 0.38 -0.00 0.00 -2.10 0.00 0.00 70.33 69.56 1vgh n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vgh s ARG 49 N -6.62 2.24 0.15 0.00 0.52 -1.24 -4.73 118.95 109.27 1vgh s ARG 49 Ca 0.43 -1.39 -0.16 0.00 -0.52 0.00 0.00 55.73 54.09 1vgh s ARG 49 Cb -0.22 -2.16 -0.07 0.00 0.52 0.00 0.00 34.95 33.01 1vgh s ARG 49 CO 0.87 0.38 0.58 0.00 0.02 0.00 0.00 175.30 177.16 1vgh n ASP 51 N 0.91 -0.32 -4.52 0.00 9.92 0.53 -4.92 116.55 118.15 1vgh n ASP 51 Ca -0.05 -1.96 -0.40 0.00 -0.53 0.00 0.00 54.79 51.84 1vgh n ASP 51 Cb 0.52 0.75 0.02 0.00 -0.64 0.00 0.00 41.12 41.76 1vgh n ASP 51 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1vgh n LYS 52 N -0.28 0.79 -1.76 -1.24 5.02 -1.26 -0.93 118.16 118.51 1vgh n LYS 52 Ca 0.03 0.29 -0.35 0.00 -2.02 0.00 0.00 58.31 56.27 1vgh n LYS 52 Cb 0.27 -1.79 -0.06 0.00 -0.02 0.00 0.00 35.03 33.43 1vgh n LYS 52 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1vgh n PRO 53 N 0.08 1.67 0.03 1.97 -0.04 -1.26 -1.76 135.00 135.69 1vgh n PRO 53 Ca 0.11 -2.29 0.00 0.00 -0.04 0.00 0.00 63.50 61.28 1vgh n PRO 53 Cb 0.43 -3.42 0.00 0.00 -0.04 0.00 0.00 33.50 30.47 1vgh n PRO 53 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1vgh n ARG 54 N 7.80 0.00 0.00 0.54 0.63 -1.26 -4.99 116.66 119.37 1vgh n ARG 54 Ca 0.47 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.40 1vgh n ARG 54 Cb 0.44 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.35 1vgh n ARG 54 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99