#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vgh n ARG 2 N 0.00 -0.97 -3.57 0.00 0.63 -1.26 -4.92 116.66 106.56 2vgh n ARG 2 Ca 0.00 0.73 -0.20 0.00 -0.92 0.00 0.00 57.85 57.46 2vgh n ARG 2 Cb 0.00 -0.84 0.06 0.00 0.45 0.00 0.00 32.46 32.13 2vgh n ARG 2 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2vgh n GLN 3 N -1.13 -5.28 -1.14 -0.14 1.13 -1.26 -4.78 117.38 104.79 2vgh n GLN 3 Ca 0.00 0.71 0.15 0.00 -1.94 0.00 0.00 57.00 55.93 2vgh n GLN 3 Cb 0.02 -5.44 -0.04 0.00 0.11 0.00 0.00 30.24 24.89 2vgh n GLN 3 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2vgh n GLU 4 N -4.16 -2.31 -3.18 -1.09 -0.58 -1.26 -4.91 120.64 103.15 2vgh n GLU 4 Ca -0.28 1.56 -0.14 0.00 -0.42 0.00 0.00 57.16 57.88 2vgh n GLU 4 Cb 0.67 -2.81 -0.05 0.00 -0.57 0.00 0.00 31.44 28.67 2vgh n GLU 4 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 2vgh s ASN 5 N -6.16 0.22 0.14 1.62 3.84 -1.26 -4.88 114.94 108.47 2vgh s ASN 5 Ca 0.00 -1.95 -0.34 0.00 0.21 0.00 0.00 52.86 50.79 2vgh s ASN 5 Cb 0.00 0.82 -0.13 0.00 -0.55 0.00 0.00 41.25 41.38 2vgh s ASN 5 CO 0.00 -0.17 1.62 -2.65 -2.79 0.00 0.00 177.10 173.11 2vgh n PRO 6 N 3.51 2.21 -4.25 0.43 -0.02 -1.26 -4.85 135.00 130.78 2vgh n PRO 6 Ca 0.18 0.80 -0.14 0.00 -2.02 0.00 0.00 63.50 62.32 2vgh n PRO 6 Cb 0.50 -2.58 -0.10 0.00 -0.02 0.00 0.00 33.50 31.30 2vgh n PRO 6 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2vgh s GLY 8 N -3.21 2.08 0.29 0.00 0.00 -1.26 -5.11 107.32 100.10 2vgh s GLY 8 Ca 0.35 -2.74 -0.28 0.00 0.00 0.00 0.00 44.72 42.06 2vgh s GLY 8 CO 0.11 0.96 0.98 -1.05 0.00 0.00 0.00 173.10 174.11 2vgh n PRO 9 N 3.96 1.29 0.07 2.90 -0.02 -1.26 -4.95 135.00 136.99 2vgh n PRO 9 Ca 0.04 0.45 -0.12 0.00 -2.02 0.00 0.00 63.50 61.85 2vgh n PRO 9 Cb 0.39 -1.81 -0.08 0.00 -0.02 0.00 0.00 33.50 31.98 2vgh n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2vgh s SER 11 N -5.41 5.14 0.00 0.00 1.04 -1.26 -5.03 113.70 108.18 2vgh s SER 11 Ca -0.14 1.76 0.00 0.00 0.48 0.00 0.00 55.95 58.06 2vgh s SER 11 Cb 0.01 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.62 2vgh s SER 11 CO 0.54 -1.61 0.56 -0.62 0.98 0.00 0.00 173.24 173.09 2vgh n GLU 12 N -2.98 0.00 0.13 4.02 -0.58 -1.26 -4.93 120.64 115.04 2vgh n GLU 12 Ca 0.09 0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 2vgh n GLU 12 Cb 0.53 -1.07 0.00 0.00 -0.57 0.00 0.00 31.44 30.33 2vgh n GLU 12 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2vgh n ARG 13 N -0.80 0.00 -1.32 3.49 1.74 -1.26 -4.93 116.66 113.59 2vgh n ARG 13 Ca 0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 2vgh n ARG 13 Cb 0.00 -0.07 -0.08 0.00 -1.02 0.00 0.00 32.46 31.29 2vgh n ARG 13 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2vgh n ARG 14 N -3.49 3.08 -0.76 5.56 1.74 -1.26 -4.76 116.66 116.77 2vgh n ARG 14 Ca 0.00 -1.97 -0.09 0.00 -0.77 0.00 0.00 57.85 55.02 2vgh n ARG 14 Cb 0.00 -2.42 -0.01 0.00 -1.02 0.00 0.00 32.46 29.01 2vgh n ARG 14 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 2vgh n LYS 15 N 2.63 1.49 -0.32 5.56 2.85 -1.26 -4.55 118.16 124.55 2vgh n LYS 15 Ca 0.61 -0.82 0.00 0.00 -1.05 0.00 0.00 58.31 57.04 2vgh n LYS 15 Cb 0.51 -1.41 0.13 0.00 -0.65 0.00 0.00 35.03 33.62 2vgh n LYS 15 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2vgh h HIS 16 N 1.53 1.04 -0.82 5.58 3.86 -2.00 -2.77 115.15 121.58 2vgh h HIS 16 Ca 0.15 0.03 -0.52 0.00 -1.16 0.00 0.00 60.37 58.87 2vgh h HIS 16 Cb 1.01 -0.34 -0.22 0.00 1.06 0.00 0.00 27.41 28.92 2vgh h HIS 16 CO 0.69 0.56 0.66 1.28 0.86 0.00 0.00 177.93 181.99 2vgh n LEU 17 N -4.57 7.10 -4.11 2.43 4.77 -1.26 -4.90 117.00 116.47 2vgh n LEU 17 Ca 0.12 -3.87 -0.08 0.00 -0.03 0.00 0.00 56.01 52.15 2vgh n LEU 17 Cb 0.14 -1.03 -0.10 0.00 -2.33 0.00 0.00 43.42 40.10 2vgh n LEU 17 CO 0.32 1.39 -0.37 -0.36 -1.33 0.00 0.00 177.39 177.05 2vgh s PHE 18 N -2.85 0.61 0.06 -1.77 0.40 -1.04 -1.31 117.98 112.07 2vgh s PHE 18 Ca 0.49 -1.00 0.01 0.00 -0.60 0.00 0.00 56.93 55.83 2vgh s PHE 18 Cb 0.38 -0.42 -0.03 0.00 0.51 0.00 0.00 43.02 43.46 2vgh s PHE 18 CO -0.04 -0.31 -0.05 0.14 0.70 0.00 0.00 175.22 175.66 2vgh s VAL 19 N -3.73 0.42 -0.02 -0.44 -7.23 -0.09 -4.64 120.40 104.67 2vgh s VAL 19 Ca 0.07 -1.52 -0.00 0.00 -1.81 0.00 0.00 61.98 58.72 2vgh s VAL 19 Cb 0.06 -1.14 0.02 0.00 0.56 0.00 0.00 36.38 35.89 2vgh s VAL 19 CO -0.08 -0.73 0.02 -1.58 -0.31 0.00 0.00 175.10 172.42 2vgh s GLN 20 N -2.93 -0.02 -0.10 4.82 0.74 -1.26 -1.38 119.66 119.52 2vgh s GLN 20 Ca 0.01 0.13 -0.29 0.00 0.05 0.00 0.00 55.36 55.26 2vgh s GLN 20 Cb -0.00 -0.17 -0.04 0.00 1.10 0.00 0.00 33.01 33.90 2vgh s GLN 20 CO -0.04 -0.11 1.58 0.34 -0.55 0.00 0.00 175.29 176.50 2vgh s ASP 21 N 0.73 6.66 -0.13 6.67 2.15 -0.39 -4.90 116.67 127.46 2vgh s ASP 21 Ca -0.06 2.03 -0.03 0.00 0.43 0.00 0.00 52.55 54.93 2vgh s ASP 21 Cb -0.09 -2.53 -0.04 0.00 -0.30 0.00 0.00 42.92 39.96 2vgh s ASP 21 CO -0.02 -0.96 2.66 -0.81 -0.17 0.00 0.00 175.17 175.87 2vgh n PRO 22 N 7.14 1.69 0.08 4.34 -0.04 -1.26 -1.09 135.00 145.86 2vgh n PRO 22 Ca 0.17 -0.97 0.00 0.00 -0.04 0.00 0.00 63.50 62.66 2vgh n PRO 22 Cb 0.44 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 2vgh n PRO 22 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2vgh n GLN 23 N 1.53 0.00 -0.00 0.54 6.02 -1.26 -4.56 117.38 119.64 2vgh n GLN 23 Ca 0.27 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.36 2vgh n GLN 23 Cb 0.66 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.80 2vgh n GLN 23 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2vgh n THR 24 N -2.97 0.00 -1.71 5.09 -2.24 -1.22 -4.99 114.28 106.25 2vgh n THR 24 Ca 0.00 -0.11 -0.16 0.00 -2.27 0.00 0.00 64.05 61.51 2vgh n THR 24 Cb 0.00 0.76 -0.05 0.00 -2.10 0.00 0.00 70.33 68.94 2vgh n THR 24 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2vgh s LYS 26 N -3.77 4.54 -0.05 0.00 1.02 -1.26 -4.76 119.74 115.45 2vgh s LYS 26 Ca 0.00 1.66 -0.06 0.00 0.02 0.00 0.00 55.97 57.58 2vgh s LYS 26 Cb 0.00 -3.35 -0.04 0.00 -0.52 0.00 0.00 37.83 33.92 2vgh s LYS 26 CO 0.00 -0.06 0.20 0.00 -0.92 0.00 0.00 175.35 174.58 2vgh s SER 28 N -1.45 0.13 0.27 0.00 0.01 -0.48 -5.01 113.70 107.16 2vgh s SER 28 Ca 0.22 -0.29 -0.29 0.00 1.31 0.00 0.00 55.95 56.90 2vgh s SER 28 Cb -0.13 0.10 -0.09 0.00 0.21 0.00 0.00 66.02 66.11 2vgh s SER 28 CO 0.12 -0.22 1.20 0.00 0.41 0.00 0.00 173.24 174.74 2vgh h LYS 30 N 4.16 0.70 -4.64 0.00 3.64 -1.46 -3.39 116.57 115.58 2vgh h LYS 30 Ca -0.47 -0.09 -0.69 0.00 -1.27 0.00 0.00 60.65 58.13 2vgh h LYS 30 Cb 1.22 -0.13 -0.21 0.00 -0.41 0.00 0.00 32.23 32.69 2vgh h LYS 30 CO 0.69 0.56 -0.48 1.21 -2.27 0.00 0.00 179.45 179.17 2vgh s ASN 31 N -6.60 5.96 0.26 4.20 2.47 -1.26 -5.02 114.94 114.95 2vgh s ASN 31 Ca -0.09 -0.66 0.05 0.00 0.42 0.00 0.00 52.86 52.58 2vgh s ASN 31 Cb 0.17 -2.11 -0.03 0.00 -1.45 0.00 0.00 41.25 37.83 2vgh s ASN 31 CO 0.77 -0.32 0.38 0.42 -3.72 0.00 0.00 177.10 174.63 2vgh s THR 32 N 1.67 5.08 0.52 -5.21 -4.23 -1.26 -4.88 115.64 107.33 2vgh s THR 32 Ca 0.05 -0.98 0.23 0.00 -1.18 0.00 0.00 61.69 59.81 2vgh s THR 32 Cb -0.18 -3.79 0.29 0.00 1.34 0.00 0.00 72.50 70.16 2vgh s THR 32 CO 0.09 -0.31 2.15 -0.78 -0.54 0.00 0.00 174.62 175.24 2vgh h ASP 33 N 1.12 0.00 -0.55 3.99 3.58 -1.96 -1.83 116.42 120.77 2vgh h ASP 33 Ca -0.51 0.00 0.07 0.00 0.42 0.00 0.00 57.03 57.01 2vgh h ASP 33 Cb 1.23 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.22 2vgh h ASP 33 CO 0.60 0.05 0.22 0.28 -2.88 0.00 0.00 179.24 177.50 2vgh h SER 34 N 0.00 0.24 -0.31 2.28 0.02 -1.96 0.82 113.55 114.64 2vgh h SER 34 Ca -0.00 0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 2vgh h SER 34 Cb 0.10 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 2vgh h SER 34 CO 0.01 0.16 -0.03 0.03 -1.14 0.00 0.00 176.83 175.86 2vgh h ARG 35 N 0.41 0.57 -0.36 3.45 3.08 -1.74 -1.59 114.38 118.21 2vgh h ARG 35 Ca 0.26 -0.20 0.03 0.00 0.07 0.00 0.00 59.98 60.14 2vgh h ARG 35 Cb 0.28 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 2vgh h ARG 35 CO -0.25 0.73 0.17 0.00 -1.07 0.00 0.00 179.97 179.55 2vgh h LYS 37 N 0.36 1.08 0.00 0.00 3.64 -0.51 0.18 116.57 121.31 2vgh h LYS 37 Ca 0.15 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 2vgh h LYS 37 Cb 0.07 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.65 2vgh h LYS 37 CO -0.11 0.71 -0.04 0.00 -2.27 0.00 0.00 179.45 177.74 2vgh h ALA 38 N 1.35 1.46 -0.68 5.00 0.00 -0.89 -0.85 119.26 124.64 2vgh h ALA 38 Ca 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2vgh h ALA 38 Cb -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2vgh h ALA 38 CO -0.10 0.05 0.00 0.54 0.00 0.00 0.00 179.25 179.73 2vgh n ARG 39 N -3.79 2.68 -3.42 0.00 1.74 -0.16 -4.98 116.66 108.73 2vgh n ARG 39 Ca -0.03 -2.60 -0.17 0.00 -0.77 0.00 0.00 57.85 54.29 2vgh n ARG 39 Cb 0.13 -1.56 0.09 0.00 -1.02 0.00 0.00 32.46 30.09 2vgh n ARG 39 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2vgh n GLN 40 N 1.64 -6.22 -4.25 5.56 3.00 -0.32 -5.03 117.38 111.75 2vgh n GLN 40 Ca 0.24 0.84 -0.17 0.00 -0.01 0.00 0.00 57.00 57.90 2vgh n GLN 40 Cb 0.62 -5.84 -0.09 0.00 0.00 0.00 0.00 30.24 24.93 2vgh n GLN 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2vgh s LEU 41 N -6.29 1.54 0.11 1.08 1.43 0.44 -4.58 118.68 112.41 2vgh s LEU 41 Ca 0.04 -1.63 0.06 0.00 -1.03 0.00 0.00 54.13 51.56 2vgh s LEU 41 Cb -0.00 0.50 -0.04 0.00 0.03 0.00 0.00 46.19 46.68 2vgh s LEU 41 CO 0.73 -0.99 -0.14 -1.61 0.23 0.00 0.00 176.35 174.58 2vgh s GLU 42 N -3.69 0.97 0.04 1.70 2.02 -0.45 -2.48 118.70 116.82 2vgh s GLU 42 Ca 0.40 -1.19 -0.27 0.00 0.02 0.00 0.00 54.97 53.93 2vgh s GLU 42 Cb 0.04 -0.85 -0.05 0.00 0.10 0.00 0.00 34.13 33.37 2vgh s GLU 42 CO 0.22 0.16 0.84 -1.17 0.02 0.00 0.00 175.26 175.34 2vgh s LEU 43 N -2.35 4.43 -0.64 1.80 2.96 -1.26 -0.74 118.68 122.88 2vgh s LEU 43 Ca 0.07 1.54 -0.22 0.00 -0.22 0.00 0.00 54.13 55.30 2vgh s LEU 43 Cb -0.05 -3.36 0.07 0.00 0.50 0.00 0.00 46.19 43.35 2vgh s LEU 43 CO 0.03 -0.07 0.91 0.21 -1.32 0.00 0.00 176.35 176.11 2vgh s ASN 44 N 0.26 6.19 0.16 3.68 3.84 -0.35 -4.92 114.94 123.80 2vgh s ASN 44 Ca 0.43 -1.01 0.11 0.00 0.21 0.00 0.00 52.86 52.60 2vgh s ASN 44 Cb -0.21 -2.40 0.60 0.00 -0.55 0.00 0.00 41.25 38.69 2vgh s ASN 44 CO 0.25 -1.36 1.35 -0.62 -2.79 0.00 0.00 177.10 173.93 2vgh n GLU 45 N 7.43 0.07 -0.05 0.43 1.02 -1.26 -0.00 120.64 128.28 2vgh n GLU 45 Ca -0.04 0.55 -0.08 0.00 -0.02 0.00 0.00 57.16 57.57 2vgh n GLU 45 Cb 0.45 -1.72 -0.07 0.00 -0.02 0.00 0.00 31.44 30.08 2vgh n GLU 45 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2vgh h ARG 46 N 0.00 -0.02 0.00 3.49 3.08 -1.96 -3.37 114.38 115.60 2vgh h ARG 46 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2vgh h ARG 46 Cb 0.03 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2vgh h ARG 46 CO 0.00 0.50 -1.13 -2.37 -1.07 0.00 0.00 179.97 175.91 2vgh n THR 47 N -4.72 0.10 -3.59 2.04 5.66 -1.11 -5.01 114.28 107.66 2vgh n THR 47 Ca -0.06 -0.21 -0.24 0.00 -3.05 0.00 0.00 64.05 60.49 2vgh n THR 47 Cb 0.26 0.36 0.05 0.00 -1.55 0.00 0.00 70.33 69.44 2vgh n THR 47 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2vgh s ARG 49 N -5.61 1.15 -0.15 0.00 0.52 -1.23 -4.68 118.95 108.96 2vgh s ARG 49 Ca 0.33 -1.38 -0.21 0.00 -0.52 0.00 0.00 55.73 53.95 2vgh s ARG 49 Cb -0.09 -1.01 -0.03 0.00 0.52 0.00 0.00 34.95 34.33 2vgh s ARG 49 CO 0.82 0.19 0.60 0.00 0.02 0.00 0.00 175.30 176.93 2vgh s ASP 51 N 0.95 3.80 0.34 0.00 -4.77 0.08 -4.92 116.67 112.15 2vgh s ASP 51 Ca 0.30 -1.53 -0.28 0.00 -3.30 0.00 0.00 52.55 47.74 2vgh s ASP 51 Cb -0.16 0.13 -0.12 0.00 -1.09 0.00 0.00 42.92 41.68 2vgh s ASP 51 CO 0.12 -0.69 1.28 0.29 0.70 0.00 0.00 175.17 176.88 2vgh n LYS 52 N -1.08 2.11 0.00 2.11 5.02 -1.26 -1.34 118.16 123.72 2vgh n LYS 52 Ca -0.12 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 2vgh n LYS 52 Cb 0.67 -2.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.36 2vgh n LYS 52 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2vgh n PRO 53 N 0.54 0.00 -2.88 1.97 -0.04 -1.26 -4.48 135.00 128.86 2vgh n PRO 53 Ca 0.05 0.33 -0.12 0.00 -0.04 0.00 0.00 63.50 63.71 2vgh n PRO 53 Cb 0.36 -1.13 0.02 0.00 -0.04 0.00 0.00 33.50 32.71 2vgh n PRO 53 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2vgh n ARG 54 N -1.48 0.82 0.00 0.54 0.00 -1.26 -4.82 116.66 110.46 2vgh n ARG 54 Ca 0.00 -2.22 0.00 0.00 -0.00 0.00 0.00 57.85 55.63 2vgh n ARG 54 Cb 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 32.46 31.11 2vgh n ARG 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17