#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 0.57 -1.25 0.00 3.52 -1.26 -4.97 118.95 115.56 1vgh s ARG 2 Ca 0.00 0.94 -0.03 0.00 -0.13 0.00 0.00 55.73 56.51 1vgh s ARG 2 Cb 0.00 0.14 -0.01 0.00 -1.56 0.00 0.00 34.95 33.52 1vgh s ARG 2 CO 0.00 -0.11 0.76 0.94 -0.81 0.00 0.00 175.30 176.08 1vgh n GLN 3 N 3.79 -4.39 -2.19 5.12 7.27 -1.26 -4.86 117.38 120.86 1vgh n GLN 3 Ca -0.18 0.65 -0.38 0.00 0.07 0.00 0.00 57.00 57.16 1vgh n GLN 3 Cb 0.58 -5.20 -0.03 0.00 2.41 0.00 0.00 30.24 28.00 1vgh n GLN 3 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1vgh s GLU 4 N -5.75 2.80 -0.46 3.69 0.41 -1.26 -4.89 118.70 113.24 1vgh s GLU 4 Ca 0.10 0.23 0.03 0.00 -0.41 0.00 0.00 54.97 54.92 1vgh s GLU 4 Cb -0.03 -4.44 0.16 0.00 -1.78 0.00 0.00 34.13 28.04 1vgh s GLU 4 CO 0.80 -2.63 0.32 -0.80 -0.49 0.00 0.00 175.26 172.46 1vgh s ASN 5 N 6.86 2.89 0.50 -0.19 0.01 -1.26 -5.13 114.94 118.62 1vgh s ASN 5 Ca 0.58 -2.93 -0.22 0.00 -0.71 0.00 0.00 52.86 49.58 1vgh s ASN 5 Cb -0.10 -0.80 -0.08 0.00 0.41 0.00 0.00 41.25 40.68 1vgh s ASN 5 CO 0.16 -0.21 1.10 -2.65 -1.51 0.00 0.00 177.10 173.99 1vgh n PRO 6 N 3.09 1.37 -2.10 -0.60 -0.02 -1.26 -4.96 135.00 130.52 1vgh n PRO 6 Ca 0.19 0.50 -0.38 0.00 -2.02 0.00 0.00 63.50 61.79 1vgh n PRO 6 Cb 0.40 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 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 -1.04 1.92 0.13 0.00 0.00 -1.26 -5.06 107.32 102.02 1vgh s GLY 8 Ca 0.62 -1.11 -0.33 0.00 0.00 0.00 0.00 44.72 43.89 1vgh s GLY 8 CO 0.42 0.79 0.92 -1.05 0.00 0.00 0.00 173.10 174.18 1vgh n PRO 9 N 5.17 0.44 0.37 2.90 -0.02 -1.26 -4.92 135.00 137.67 1vgh n PRO 9 Ca -0.12 0.16 -0.15 0.00 -2.02 0.00 0.00 63.50 61.37 1vgh n PRO 9 Cb 0.51 -1.49 -0.07 0.00 -0.02 0.00 0.00 33.50 32.43 1vgh n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1vgh n SER 11 N -4.90 4.95 0.00 0.00 7.64 -1.26 -4.91 113.62 115.14 1vgh n SER 11 Ca -0.12 -2.97 0.00 0.00 1.01 0.00 0.00 58.87 56.79 1vgh n SER 11 Cb 0.37 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.02 1vgh n SER 11 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1vgh n GLU 12 N 4.67 0.00 0.00 1.43 -0.58 -1.25 -3.74 120.64 121.18 1vgh n GLU 12 Ca 0.48 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.22 1vgh n GLU 12 Cb 0.36 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.23 1vgh n GLU 12 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1vgh n ARG 13 N 0.00 0.00 -0.26 3.49 1.74 -1.26 -4.44 116.66 115.93 1vgh n ARG 13 Ca 0.00 0.00 0.33 0.00 -0.77 0.00 0.00 57.85 57.41 1vgh n ARG 13 Cb 0.00 -0.07 0.73 0.00 -1.02 0.00 0.00 32.46 32.09 1vgh n ARG 13 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 1vgh h ARG 14 N 0.00 0.00 -4.50 5.56 0.11 -2.01 -3.21 114.38 110.33 1vgh h ARG 14 Ca 0.00 0.00 -0.64 0.00 0.10 0.00 0.00 59.98 59.44 1vgh h ARG 14 Cb 0.00 0.00 0.03 0.00 1.11 0.00 0.00 29.97 31.11 1vgh h ARG 14 CO 0.00 0.00 2.32 1.63 0.10 0.00 0.00 179.97 184.02 1vgh n LYS 15 N -4.03 1.67 0.25 0.08 4.01 -1.24 -4.66 118.16 114.24 1vgh n LYS 15 Ca 0.23 -1.98 0.16 0.00 -0.51 0.00 0.00 58.31 56.21 1vgh n LYS 15 Cb 1.19 -3.01 0.59 0.00 -0.51 0.00 0.00 35.03 33.29 1vgh n LYS 15 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1vgh h HIS 16 N 7.79 0.00 0.00 2.13 3.86 -1.92 -2.86 115.15 124.16 1vgh h HIS 16 Ca 0.43 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.64 1vgh h HIS 16 Cb 0.68 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.15 1vgh h HIS 16 CO 1.27 0.00 0.00 -0.07 0.86 0.00 0.00 177.93 179.99 1vgh h LEU 17 N 0.00 0.00 -9.84 2.43 4.07 -1.85 -3.43 115.31 106.70 1vgh h LEU 17 Ca 0.00 0.00 -0.55 0.00 0.08 0.00 0.00 57.88 57.41 1vgh h LEU 17 Cb 0.56 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.26 1vgh h LEU 17 CO 0.00 0.00 -0.07 -0.36 -1.08 0.00 0.00 178.44 176.93 1vgh s PHE 18 N -3.37 3.61 0.24 1.13 0.40 -1.08 -1.74 117.98 117.17 1vgh s PHE 18 Ca 0.04 1.09 0.11 0.00 -0.60 0.00 0.00 56.93 57.57 1vgh s PHE 18 Cb 0.09 -2.39 -0.05 0.00 0.51 0.00 0.00 43.02 41.19 1vgh s PHE 18 CO 0.44 0.42 -0.17 0.14 0.70 0.00 0.00 175.22 176.76 1vgh s VAL 19 N -1.46 2.70 -0.01 -0.44 -7.23 -0.28 -4.92 120.40 108.76 1vgh s VAL 19 Ca 0.38 -2.10 0.02 0.00 -1.81 0.00 0.00 61.98 58.47 1vgh s VAL 19 Cb -0.15 -2.37 -0.00 0.00 0.56 0.00 0.00 36.38 34.41 1vgh s VAL 19 CO 0.19 -0.26 -0.07 -1.58 -0.31 0.00 0.00 175.10 173.07 1vgh s GLN 20 N -3.17 0.62 0.11 4.82 0.74 -1.26 -1.33 119.66 120.19 1vgh s GLN 20 Ca 0.27 -0.25 -0.31 0.00 0.05 0.00 0.00 55.36 55.11 1vgh s GLN 20 Cb -0.07 -0.60 -0.08 0.00 1.10 0.00 0.00 33.01 33.37 1vgh s GLN 20 CO 0.14 0.14 1.44 0.34 -0.55 0.00 0.00 175.29 176.80 1vgh s ASP 21 N -0.10 6.77 0.41 6.67 -1.08 -0.41 -4.94 116.67 123.99 1vgh s ASP 21 Ca 0.02 2.37 0.19 0.00 -0.52 0.00 0.00 52.55 54.61 1vgh s ASP 21 Cb -0.04 -2.58 0.87 0.00 -1.46 0.00 0.00 42.92 39.71 1vgh s ASP 21 CO -0.00 -0.70 1.84 1.55 0.52 0.00 0.00 175.17 178.38 1vgh h PRO 22 N 6.98 0.00 0.01 4.34 0.13 -1.97 -1.50 132.00 139.99 1vgh h PRO 22 Ca -0.42 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.30 1vgh h PRO 22 Cb 1.21 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 1vgh h PRO 22 CO 0.88 0.32 -2.32 0.00 -0.23 0.00 0.00 178.00 176.65 1vgh n GLN 23 N -3.74 0.60 0.00 0.86 10.64 -1.26 -4.34 117.38 120.15 1vgh n GLN 23 Ca -0.01 0.29 0.10 0.00 -1.83 0.00 0.00 57.00 55.56 1vgh n GLN 23 Cb 0.41 -1.55 -0.07 0.00 -0.86 0.00 0.00 30.24 28.17 1vgh n GLN 23 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 1vgh n THR 24 N -4.09 0.00 -1.35 -0.39 -2.24 -1.25 -4.97 114.28 99.99 1vgh n THR 24 Ca -0.49 -0.07 -0.12 0.00 -2.27 0.00 0.00 64.05 61.10 1vgh n THR 24 Cb 0.88 1.03 -0.05 0.00 -2.10 0.00 0.00 70.33 70.09 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 -2.94 4.54 -0.03 0.00 -0.14 -1.26 -4.72 119.74 115.18 1vgh s LYS 26 Ca 0.00 1.29 -0.02 0.00 -1.36 0.00 0.00 55.97 55.88 1vgh s LYS 26 Cb 0.00 -3.45 -0.04 0.00 -1.68 0.00 0.00 37.83 32.66 1vgh s LYS 26 CO 0.00 -0.01 0.11 0.00 -0.76 0.00 0.00 175.35 174.70 1vgh s SER 28 N -1.61 0.11 0.26 0.00 0.01 -0.44 -5.01 113.70 107.02 1vgh s SER 28 Ca 0.22 -0.25 -0.29 0.00 1.31 0.00 0.00 55.95 56.94 1vgh s SER 28 Cb -0.12 0.08 -0.09 0.00 0.21 0.00 0.00 66.02 66.10 1vgh s SER 28 CO 0.13 -0.18 0.95 0.00 0.41 0.00 0.00 173.24 174.55 1vgh h LYS 30 N 3.93 0.32 -7.09 0.00 1.57 -1.69 -3.44 116.57 110.16 1vgh h LYS 30 Ca -0.45 -0.11 -0.48 0.00 -1.87 0.00 0.00 60.65 57.74 1vgh h LYS 30 Cb 1.20 -0.02 0.04 0.00 0.08 0.00 0.00 32.23 33.52 1vgh h LYS 30 CO 0.67 0.56 0.39 1.21 -0.57 0.00 0.00 179.45 181.71 1vgh s ASN 31 N -5.86 6.21 0.06 0.86 2.47 -1.26 -5.07 114.94 112.34 1vgh s ASN 31 Ca -0.14 1.93 -0.01 0.00 0.42 0.00 0.00 52.86 55.06 1vgh s ASN 31 Cb 0.06 -2.56 -0.04 0.00 -1.45 0.00 0.00 41.25 37.26 1vgh s ASN 31 CO 0.73 -0.88 -0.02 0.42 -3.72 0.00 0.00 177.10 173.64 1vgh s THR 32 N -2.03 0.20 0.43 -5.21 -4.23 -1.26 -5.03 115.64 98.50 1vgh s THR 32 Ca 0.67 -1.83 0.11 0.00 -1.18 0.00 0.00 61.69 59.46 1vgh s THR 32 Cb -0.17 -1.60 0.21 0.00 1.34 0.00 0.00 72.50 72.28 1vgh s THR 32 CO 0.23 -0.91 2.01 0.44 -0.54 0.00 0.00 174.62 175.85 1vgh h ASP 33 N 3.10 0.22 -0.15 3.99 3.32 -1.95 -1.59 116.42 123.36 1vgh h ASP 33 Ca -0.34 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.67 1vgh h ASP 33 Cb 1.15 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 1vgh h ASP 33 CO 0.65 0.27 0.04 0.77 -1.72 0.00 0.00 179.24 179.24 1vgh h SER 34 N 0.24 0.22 -0.01 6.45 4.64 -1.96 0.10 113.55 123.24 1vgh h SER 34 Ca 0.06 -0.22 0.02 0.00 -0.47 0.00 0.00 61.79 61.18 1vgh h SER 34 Cb 0.17 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.17 1vgh h SER 34 CO 0.00 0.38 -0.14 0.03 -0.87 0.00 0.00 176.83 176.24 1vgh h ARG 35 N 0.05 -0.22 -0.65 4.77 3.08 -1.91 -1.60 114.38 117.91 1vgh h ARG 35 Ca 0.05 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1vgh h ARG 35 Cb 0.25 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 1vgh h ARG 35 CO -0.00 -0.14 0.40 0.00 -1.07 0.00 0.00 179.97 179.15 1vgh h LYS 37 N 0.88 1.16 0.00 0.00 3.64 -0.27 0.15 116.57 122.13 1vgh h LYS 37 Ca 0.23 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1vgh h LYS 37 Cb -0.04 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.54 1vgh h LYS 37 CO -0.04 0.83 -0.02 0.00 -2.27 0.00 0.00 179.45 177.94 1vgh h ALA 38 N 1.36 1.41 -0.61 5.00 0.00 -0.90 -0.79 119.26 124.73 1vgh h ALA 38 Ca 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1vgh h ALA 38 Cb -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1vgh h ALA 38 CO -0.05 0.03 0.00 0.54 0.00 0.00 0.00 179.25 179.77 1vgh n ARG 39 N -3.71 2.60 -3.43 0.00 1.74 -0.07 -4.96 116.66 108.83 1vgh n ARG 39 Ca -0.03 -2.47 -0.18 0.00 -0.77 0.00 0.00 57.85 54.40 1vgh n ARG 39 Cb 0.11 -1.54 0.08 0.00 -1.02 0.00 0.00 32.46 30.09 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 1.55 -6.77 -4.28 5.56 3.00 -0.30 -5.03 117.38 111.11 1vgh n GLN 40 Ca 0.22 0.82 -0.20 0.00 -0.01 0.00 0.00 57.00 57.83 1vgh n GLN 40 Cb 0.60 -5.76 -0.08 0.00 0.00 0.00 0.00 30.24 25.00 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 -6.46 1.76 0.16 1.08 1.43 0.32 -4.61 118.68 112.37 1vgh s LEU 41 Ca 0.16 -1.77 0.02 0.00 -1.03 0.00 0.00 54.13 51.50 1vgh s LEU 41 Cb -0.07 0.59 -0.05 0.00 0.03 0.00 0.00 46.19 46.69 1vgh s LEU 41 CO 0.71 -1.08 -0.01 -1.61 0.23 0.00 0.00 176.35 174.59 1vgh s GLU 42 N -3.40 1.07 -0.01 1.70 0.41 -0.42 -2.15 118.70 115.90 1vgh s GLU 42 Ca 0.41 -1.50 -0.25 0.00 -0.41 0.00 0.00 54.97 53.21 1vgh s GLU 42 Cb 0.02 -0.24 -0.04 0.00 -1.78 0.00 0.00 34.13 32.08 1vgh s GLU 42 CO 0.28 -0.12 0.76 -1.17 -0.49 0.00 0.00 175.26 174.53 1vgh s LEU 43 N -3.15 4.39 -0.59 1.80 2.96 -1.26 -0.89 118.68 121.93 1vgh s LEU 43 Ca 0.22 1.37 -0.22 0.00 -0.22 0.00 0.00 54.13 55.28 1vgh s LEU 43 Cb 0.06 -3.21 0.06 0.00 0.50 0.00 0.00 46.19 43.60 1vgh s LEU 43 CO 0.03 -0.07 0.87 0.21 -1.32 0.00 0.00 176.35 176.07 1vgh s ASN 44 N 0.41 6.24 0.00 3.68 2.47 -0.18 -4.91 114.94 122.65 1vgh s ASN 44 Ca 0.40 -0.79 0.08 0.00 0.42 0.00 0.00 52.86 52.96 1vgh s ASN 44 Cb -0.19 -2.39 0.39 0.00 -1.45 0.00 0.00 41.25 37.61 1vgh s ASN 44 CO 0.22 -1.23 1.14 -0.62 -3.72 0.00 0.00 177.10 172.88 1vgh n GLU 45 N 7.21 0.10 -0.04 0.43 1.02 -1.26 -0.03 120.64 128.06 1vgh n GLU 45 Ca -0.03 0.23 -0.06 0.00 -0.02 0.00 0.00 57.16 57.28 1vgh n GLU 45 Cb 0.46 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.32 1vgh n GLU 45 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1vgh h ARG 46 N 0.00 -0.03 0.00 3.49 3.08 -1.95 -3.38 114.38 115.59 1vgh h ARG 46 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1vgh h ARG 46 Cb 0.08 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1vgh h ARG 46 CO 0.00 0.37 -1.40 0.25 -1.07 0.00 0.00 179.97 178.12 1vgh n THR 47 N -4.74 0.60 -3.52 2.04 -2.24 -1.13 -5.00 114.28 100.30 1vgh n THR 47 Ca -0.04 -0.58 -0.18 0.00 -2.27 0.00 0.00 64.05 60.97 1vgh n THR 47 Cb 0.20 -0.33 0.07 0.00 -2.10 0.00 0.00 70.33 68.17 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 -5.54 2.16 -0.17 0.00 0.52 -1.22 -4.67 118.95 110.02 1vgh s ARG 49 Ca 0.02 -1.46 -0.21 0.00 -0.52 0.00 0.00 55.73 53.56 1vgh s ARG 49 Cb -0.00 -2.09 -0.03 0.00 0.52 0.00 0.00 34.95 33.35 1vgh s ARG 49 CO 0.76 0.37 0.62 0.00 0.02 0.00 0.00 175.30 177.06 1vgh s ASP 51 N 1.07 3.39 0.41 0.00 -4.77 -0.07 -4.93 116.67 111.76 1vgh s ASP 51 Ca 0.29 -1.57 -0.25 0.00 -3.30 0.00 0.00 52.55 47.73 1vgh s ASP 51 Cb -0.16 0.26 -0.11 0.00 -1.09 0.00 0.00 42.92 41.83 1vgh s ASP 51 CO 0.11 -0.77 1.10 0.29 0.70 0.00 0.00 175.17 176.61 1vgh n LYS 52 N -1.01 1.56 -2.21 2.11 4.76 -1.26 -1.30 118.16 120.81 1vgh n LYS 52 Ca -0.10 0.56 -0.43 0.00 -2.87 0.00 0.00 58.31 55.47 1vgh n LYS 52 Cb 0.66 -2.14 -0.02 0.00 -1.84 0.00 0.00 35.03 31.69 1vgh n LYS 52 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1vgh s PRO 53 N -2.03 3.73 -1.44 1.97 0.04 -1.26 -4.38 135.00 131.63 1vgh s PRO 53 Ca 0.62 1.43 -0.11 0.00 0.04 0.00 0.00 61.00 62.97 1vgh s PRO 53 Cb -0.55 -4.02 0.05 0.00 0.04 0.00 0.00 34.50 30.02 1vgh s PRO 53 CO 0.58 -1.36 2.31 0.54 0.04 0.00 0.00 177.00 179.11 1vgh n ARG 54 N 7.74 3.38 0.00 4.56 5.12 -1.26 -4.98 116.66 131.22 1vgh n ARG 54 Ca 0.18 -2.82 0.00 0.00 -1.93 0.00 0.00 57.85 53.28 1vgh n ARG 54 Cb 0.46 -3.04 0.00 0.00 -1.16 0.00 0.00 32.46 28.72 1vgh n ARG 54 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57