#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 2.42 -0.64 0.00 0.52 -1.26 -2.82 118.95 117.17 1vgh s ARG 2 Ca 0.00 0.57 -0.06 0.00 -0.52 0.00 0.00 55.73 55.72 1vgh s ARG 2 Cb 0.00 -4.60 0.01 0.00 0.52 0.00 0.00 34.95 30.88 1vgh s ARG 2 CO 0.00 -3.11 0.66 0.94 0.02 0.00 0.00 175.30 173.81 1vgh n GLN 3 N 9.06 -1.68 -1.60 3.54 7.27 -1.26 -4.87 117.38 127.84 1vgh n GLN 3 Ca 0.30 1.63 -0.46 0.00 0.07 0.00 0.00 57.00 58.54 1vgh n GLN 3 Cb 0.51 -5.33 -0.04 0.00 2.41 0.00 0.00 30.24 27.79 1vgh n GLN 3 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1vgh n GLU 4 N -1.33 1.96 -3.49 3.69 4.07 -1.13 -4.93 120.64 119.49 1vgh n GLU 4 Ca 0.01 0.62 -0.29 0.00 -0.06 0.00 0.00 57.16 57.44 1vgh n GLU 4 Cb 0.51 -2.90 -0.13 0.00 -0.06 0.00 0.00 31.44 28.86 1vgh n GLU 4 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 1vgh s ASN 5 N 6.57 3.14 0.39 4.31 2.47 -1.26 -5.01 114.94 125.55 1vgh s ASN 5 Ca 0.99 -1.94 0.25 0.00 0.42 0.00 0.00 52.86 52.59 1vgh s ASN 5 Cb -0.54 -0.39 1.37 0.00 -1.45 0.00 0.00 41.25 40.23 1vgh s ASN 5 CO 0.43 -0.35 1.76 -0.65 -3.72 0.00 0.00 177.10 174.58 1vgh h PRO 6 N 7.41 0.00 -6.87 0.43 0.11 -1.91 -3.44 132.00 127.73 1vgh h PRO 6 Ca -0.01 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.63 1vgh h PRO 6 Cb 0.98 0.00 0.06 0.00 0.11 0.00 0.00 31.00 32.15 1vgh h PRO 6 CO 0.32 0.00 -0.01 0.00 -0.21 0.00 0.00 178.00 178.10 1vgh s GLY 8 N -4.66 1.65 0.63 0.00 0.00 -1.26 -5.14 107.32 98.54 1vgh s GLY 8 Ca 0.63 -1.67 -0.17 0.00 0.00 0.00 0.00 44.72 43.52 1vgh s GLY 8 CO 0.41 -1.20 1.14 2.56 0.00 0.00 0.00 173.10 176.01 1vgh s PRO 9 N -3.52 2.89 0.02 2.90 0.04 -1.26 -4.90 135.00 131.18 1vgh s PRO 9 Ca 0.35 1.54 -0.27 0.00 0.04 0.00 0.00 61.00 62.66 1vgh s PRO 9 Cb 0.02 -1.95 -0.16 0.00 0.04 0.00 0.00 34.50 32.45 1vgh s PRO 9 CO 0.20 -1.21 1.27 0.00 0.04 0.00 0.00 177.00 177.31 1vgh n SER 11 N -5.30 6.64 -4.29 0.00 7.64 -1.26 -4.89 113.62 112.15 1vgh n SER 11 Ca -0.11 -3.10 -0.39 0.00 1.01 0.00 0.00 58.87 56.27 1vgh n SER 11 Cb 0.32 -1.43 -0.02 0.00 -1.01 0.00 0.00 64.21 62.07 1vgh n SER 11 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1vgh n GLU 12 N 2.84 2.55 0.00 1.43 4.07 -1.23 -4.17 120.64 126.13 1vgh n GLU 12 Ca 0.52 -2.78 0.00 0.00 -0.06 0.00 0.00 57.16 54.84 1vgh n GLU 12 Cb 0.30 -3.44 0.00 0.00 -0.06 0.00 0.00 31.44 28.24 1vgh n GLU 12 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1vgh n ARG 13 N 7.74 0.00 0.20 5.31 1.74 -1.26 -4.97 116.66 125.42 1vgh n ARG 13 Ca 0.49 0.00 0.18 0.00 -0.77 0.00 0.00 57.85 57.75 1vgh n ARG 13 Cb 0.44 0.00 0.83 0.00 -1.02 0.00 0.00 32.46 32.71 1vgh n ARG 13 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1vgh h ARG 14 N 0.00 0.00 -2.49 5.56 2.43 -2.02 -3.25 114.38 114.61 1vgh h ARG 14 Ca 0.00 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.95 1vgh h ARG 14 Cb 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1vgh h ARG 14 CO 0.00 0.00 0.59 1.63 -1.51 0.00 0.00 179.97 180.68 1vgh n LYS 15 N -3.67 1.77 0.02 0.20 4.01 -1.26 -4.47 118.16 114.76 1vgh n LYS 15 Ca 0.02 -0.97 0.06 0.00 -0.51 0.00 0.00 58.31 56.91 1vgh n LYS 15 Cb 0.37 -2.03 0.27 0.00 -0.51 0.00 0.00 35.03 33.12 1vgh n LYS 15 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1vgh n HIS 16 N 2.93 0.14 0.21 2.13 8.25 -1.23 -2.30 115.22 125.35 1vgh n HIS 16 Ca 0.38 0.06 0.18 0.00 -0.26 0.00 0.00 57.72 58.08 1vgh n HIS 16 Cb 0.56 -0.59 0.84 0.00 1.12 0.00 0.00 29.99 31.91 1vgh n HIS 16 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1vgh h LEU 17 N 0.00 0.00 -9.48 2.41 -0.00 -1.87 -3.40 115.31 102.97 1vgh h LEU 17 Ca 0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 57.88 57.31 1vgh h LEU 17 Cb 0.19 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 40.79 1vgh h LEU 17 CO 0.00 0.00 -0.01 -0.36 -0.00 0.00 0.00 178.44 178.07 1vgh s PHE 18 N -4.49 3.65 0.32 1.13 0.40 -0.97 -1.38 117.98 116.64 1vgh s PHE 18 Ca -0.04 1.18 0.05 0.00 -0.60 0.00 0.00 56.93 57.52 1vgh s PHE 18 Cb 0.14 -2.64 -0.06 0.00 0.51 0.00 0.00 43.02 40.97 1vgh s PHE 18 CO 0.48 0.29 0.01 0.14 0.70 0.00 0.00 175.22 176.85 1vgh s VAL 19 N 0.04 1.46 -0.03 -0.44 -7.23 -0.26 -4.86 120.40 109.08 1vgh s VAL 19 Ca 0.32 -2.04 0.04 0.00 -1.81 0.00 0.00 61.98 58.48 1vgh s VAL 19 Cb -0.18 -2.70 -0.01 0.00 0.56 0.00 0.00 36.38 34.06 1vgh s VAL 19 CO 0.17 -0.11 -0.15 -1.58 -0.31 0.00 0.00 175.10 173.12 1vgh s GLN 20 N -3.81 1.41 -0.12 4.82 0.74 -1.26 -1.43 119.66 120.01 1vgh s GLN 20 Ca 0.34 -0.52 -0.29 0.00 0.05 0.00 0.00 55.36 54.93 1vgh s GLN 20 Cb 0.07 -1.28 -0.03 0.00 1.10 0.00 0.00 33.01 32.87 1vgh s GLN 20 CO 0.14 0.25 1.34 0.34 -0.55 0.00 0.00 175.29 176.81 1vgh s ASP 21 N -0.08 6.90 0.52 6.67 -1.08 -0.31 -4.93 116.67 124.36 1vgh s ASP 21 Ca 0.00 1.84 0.30 0.00 -0.52 0.00 0.00 52.55 54.17 1vgh s ASP 21 Cb -0.09 -2.54 1.41 0.00 -1.46 0.00 0.00 42.92 40.24 1vgh s ASP 21 CO 0.01 -0.77 2.03 1.55 0.52 0.00 0.00 175.17 178.51 1vgh h PRO 22 N 8.33 0.00 0.04 4.34 0.13 -1.98 -0.58 132.00 142.27 1vgh h PRO 22 Ca -0.31 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.56 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 0.95 0.11 -1.44 1.96 -0.23 0.00 0.00 178.00 179.35 1vgh h GLN 23 N 0.00 0.09 0.00 0.86 4.20 -1.95 -3.41 115.11 114.89 1vgh h GLN 23 Ca -0.00 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.56 1vgh h GLN 23 Cb 0.44 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1vgh h GLN 23 CO 0.01 1.07 -1.69 0.25 -0.67 0.00 0.00 178.83 177.81 1vgh n THR 24 N -4.16 0.04 -2.31 -0.54 -2.24 -1.22 -4.98 114.28 98.87 1vgh n THR 24 Ca -0.31 -0.38 -0.17 0.00 -2.27 0.00 0.00 64.05 60.91 1vgh n THR 24 Cb 0.79 0.21 -0.01 0.00 -2.10 0.00 0.00 70.33 69.22 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 -4.83 4.58 -0.17 0.00 2.36 -1.25 -4.84 119.74 115.59 1vgh s LYS 26 Ca 0.00 1.24 -0.10 0.00 -2.55 0.00 0.00 55.97 54.56 1vgh s LYS 26 Cb 0.00 -3.39 -0.05 0.00 -1.05 0.00 0.00 37.83 33.35 1vgh s LYS 26 CO 0.00 0.20 0.17 0.00 1.55 0.00 0.00 175.35 177.27 1vgh s SER 28 N 0.02 -0.00 0.14 0.00 1.04 -0.51 -5.01 113.70 109.37 1vgh s SER 28 Ca 0.12 -0.01 -0.30 0.00 0.48 0.00 0.00 55.95 56.24 1vgh s SER 28 Cb -0.12 0.11 -0.07 0.00 0.10 0.00 0.00 66.02 66.04 1vgh s SER 28 CO 0.01 -0.08 1.18 0.00 0.98 0.00 0.00 173.24 175.33 1vgh h LYS 30 N 5.73 0.71 -6.66 0.00 3.64 -1.59 -3.43 116.57 114.97 1vgh h LYS 30 Ca -0.43 -0.22 -0.51 0.00 -1.27 0.00 0.00 60.65 58.21 1vgh h LYS 30 Cb 1.21 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1vgh h LYS 30 CO 0.76 0.79 0.46 1.21 -2.27 0.00 0.00 179.45 180.40 1vgh s ASN 31 N -6.19 7.31 0.24 4.20 2.47 -1.26 -5.06 114.94 116.65 1vgh s ASN 31 Ca -0.13 2.05 0.10 0.00 0.42 0.00 0.00 52.86 55.31 1vgh s ASN 31 Cb 0.10 -2.60 -0.05 0.00 -1.45 0.00 0.00 41.25 37.25 1vgh s ASN 31 CO 0.79 -0.18 -0.18 0.42 -3.72 0.00 0.00 177.10 174.23 1vgh s THR 32 N -0.29 2.14 0.43 -5.21 -4.23 -1.26 -4.99 115.64 102.23 1vgh s THR 32 Ca 0.48 -2.27 0.13 0.00 -1.18 0.00 0.00 61.69 58.85 1vgh s THR 32 Cb -0.29 -2.16 0.18 0.00 1.34 0.00 0.00 72.50 71.58 1vgh s THR 32 CO 0.34 -0.45 1.98 -0.78 -0.54 0.00 0.00 174.62 175.17 1vgh h ASP 33 N 2.51 0.09 0.01 3.99 3.58 -1.96 -1.97 116.42 122.67 1vgh h ASP 33 Ca -0.40 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.04 1vgh h ASP 33 Cb 1.24 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 42.26 1vgh h ASP 33 CO 0.59 0.24 -0.01 0.28 -2.88 0.00 0.00 179.24 177.46 1vgh h SER 34 N 0.09 -0.03 -0.32 2.28 0.02 -1.96 0.96 113.55 114.60 1vgh h SER 34 Ca 0.02 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1vgh h SER 34 Cb 0.30 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 1vgh h SER 34 CO 0.02 -0.02 0.13 -0.09 -1.14 0.00 0.00 176.83 175.73 1vgh h ARG 35 N -0.02 0.27 -0.35 3.45 2.43 -1.87 -1.14 114.38 117.15 1vgh h ARG 35 Ca 0.00 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1vgh h ARG 35 Cb 0.02 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 1vgh h ARG 35 CO -0.01 0.18 0.18 0.00 -1.51 0.00 0.00 179.97 178.81 1vgh h LYS 37 N 0.44 1.11 -0.67 0.00 3.64 -0.22 0.91 116.57 121.78 1vgh h LYS 37 Ca 0.12 -0.18 0.12 0.00 -1.27 0.00 0.00 60.65 59.44 1vgh h LYS 37 Cb 0.10 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.69 1vgh h LYS 37 CO -0.02 0.88 0.45 0.00 -2.27 0.00 0.00 179.45 178.49 1vgh h ALA 38 N 1.27 2.05 -0.59 5.00 0.00 -1.15 -0.88 119.26 124.95 1vgh h ALA 38 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1vgh h ALA 38 Cb 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1vgh h ALA 38 CO -0.03 -0.21 0.00 0.54 0.00 0.00 0.00 179.25 179.55 1vgh n ARG 39 N -4.47 4.31 -3.47 0.00 1.74 -0.21 -4.95 116.66 109.61 1vgh n ARG 39 Ca 0.12 -2.95 -0.20 0.00 -0.77 0.00 0.00 57.85 54.05 1vgh n ARG 39 Cb 0.44 -2.09 0.08 0.00 -1.02 0.00 0.00 32.46 29.86 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 0.83 -7.07 -4.30 5.56 1.13 -0.33 -5.02 117.38 108.18 1vgh n GLN 40 Ca 0.26 0.79 -0.20 0.00 -1.94 0.00 0.00 57.00 55.92 1vgh n GLN 40 Cb 1.04 -5.71 -0.08 0.00 0.11 0.00 0.00 30.24 25.61 1vgh n GLN 40 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1vgh s LEU 41 N -6.65 1.77 0.05 1.08 1.43 0.15 -4.65 118.68 111.86 1vgh s LEU 41 Ca 0.34 -1.76 0.03 0.00 -1.03 0.00 0.00 54.13 51.71 1vgh s LEU 41 Cb -0.15 0.52 -0.03 0.00 0.03 0.00 0.00 46.19 46.57 1vgh s LEU 41 CO 0.69 -1.06 -0.10 -1.61 0.23 0.00 0.00 176.35 174.50 1vgh s GLU 42 N -3.45 0.62 -0.05 1.70 2.02 -0.23 -2.06 118.70 117.25 1vgh s GLU 42 Ca 0.40 -0.81 -0.30 0.00 0.02 0.00 0.00 54.97 54.28 1vgh s GLU 42 Cb 0.02 -0.46 -0.03 0.00 0.10 0.00 0.00 34.13 33.76 1vgh s GLU 42 CO 0.27 0.09 1.16 -1.17 0.02 0.00 0.00 175.26 175.64 1vgh s LEU 43 N -1.60 4.29 -0.69 1.80 2.96 -1.26 -1.07 118.68 123.11 1vgh s LEU 43 Ca -0.07 1.79 -0.21 0.00 -0.22 0.00 0.00 54.13 55.42 1vgh s LEU 43 Cb -0.10 -3.56 0.08 0.00 0.50 0.00 0.00 46.19 43.11 1vgh s LEU 43 CO 0.01 -0.54 0.95 0.21 -1.32 0.00 0.00 176.35 175.66 1vgh s ASN 44 N 1.36 6.24 0.30 3.68 2.47 -0.51 -4.92 114.94 123.55 1vgh s ASN 44 Ca 0.55 -1.21 0.20 0.00 0.42 0.00 0.00 52.86 52.82 1vgh s ASN 44 Cb -0.24 -2.40 1.09 0.00 -1.45 0.00 0.00 41.25 38.25 1vgh s ASN 44 CO 0.23 -1.34 1.62 1.21 -3.72 0.00 0.00 177.10 175.10 1vgh n GLU 45 N 7.33 0.13 0.01 0.43 0.00 -1.26 0.09 120.64 127.36 1vgh n GLU 45 Ca -0.01 0.62 -0.17 0.00 0.00 0.00 0.00 57.16 57.60 1vgh n GLU 45 Cb 0.45 -1.92 -0.13 0.00 0.00 0.00 0.00 31.44 29.84 1vgh n GLU 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1vgh h ARG 46 N 0.00 0.25 0.00 5.31 2.47 -1.95 -3.32 114.38 117.13 1vgh h ARG 46 Ca 0.00 -0.34 -0.10 0.00 -1.26 0.00 0.00 59.98 58.27 1vgh h ARG 46 Cb 0.02 0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.44 1vgh h ARG 46 CO 0.00 1.11 -1.24 0.25 0.56 0.00 0.00 179.97 180.64 1vgh n THR 47 N -4.30 0.97 -3.81 2.04 -2.24 -0.95 -4.99 114.28 101.00 1vgh n THR 47 Ca -0.12 -0.64 -0.24 0.00 -2.27 0.00 0.00 64.05 60.78 1vgh n THR 47 Cb 0.67 -0.59 0.02 0.00 -2.10 0.00 0.00 70.33 68.33 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 -6.26 1.56 -0.15 0.00 0.52 -1.23 -4.70 118.95 108.69 1vgh s ARG 49 Ca 0.16 -1.65 -0.21 0.00 -0.52 0.00 0.00 55.73 53.52 1vgh s ARG 49 Cb -0.08 -1.70 -0.03 0.00 0.52 0.00 0.00 34.95 33.66 1vgh s ARG 49 CO 0.83 0.33 0.61 0.00 0.02 0.00 0.00 175.30 177.10 1vgh s ASP 51 N 0.99 2.42 0.40 0.00 1.01 -0.23 -4.92 116.67 116.34 1vgh s ASP 51 Ca 0.30 -1.53 -0.25 0.00 0.71 0.00 0.00 52.55 51.79 1vgh s ASP 51 Cb -0.16 0.25 -0.11 0.00 1.01 0.00 0.00 42.92 43.90 1vgh s ASP 51 CO 0.12 -0.79 0.99 2.29 0.21 0.00 0.00 175.17 177.99 1vgh n LYS 52 N -0.77 1.32 0.36 8.23 0.00 -1.26 -1.06 118.16 124.98 1vgh n LYS 52 Ca -0.04 0.47 -0.15 0.00 -0.00 0.00 0.00 58.31 58.60 1vgh n LYS 52 Cb 0.66 -1.99 -0.07 0.00 -0.00 0.00 0.00 35.03 33.63 1vgh n LYS 52 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 1vgh h PRO 53 N 1.58 -0.91 0.00 -1.58 0.13 -1.88 -3.40 132.00 125.94 1vgh h PRO 53 Ca -0.44 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1vgh h PRO 53 Cb 1.34 0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.68 1vgh h PRO 53 CO 0.57 -0.60 0.00 0.54 -0.23 0.00 0.00 178.00 178.28 1vgh n ARG 54 N -5.40 0.00 0.00 0.86 3.00 -1.26 -4.84 116.66 109.01 1vgh n ARG 54 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.72 1vgh n ARG 54 Cb 0.37 -0.25 0.00 0.00 0.00 0.00 0.00 32.46 32.58 1vgh n ARG 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17