#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qvg s GLU 5 N 0.00 1.21 -0.19 5.56 2.12 -1.26 -1.48 118.70 124.66 1qvg s GLU 5 Ca 0.00 -0.82 -0.29 0.00 0.36 0.00 0.00 54.97 54.22 1qvg s GLU 5 Cb 0.00 -1.26 -0.04 0.00 0.26 0.00 0.00 34.13 33.09 1qvg s GLU 5 CO 0.00 0.32 1.76 0.00 -0.54 0.00 0.00 175.26 176.80 1qvg n ASP 7 N 8.83 0.04 0.03 0.00 8.00 -0.71 -1.74 116.55 130.99 1qvg n ASP 7 Ca 0.21 -0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.49 1qvg n ASP 7 Cb 0.45 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 1qvg n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qvg n TYR 8 N -0.19 -0.05 0.02 1.24 9.36 -1.26 -4.89 117.16 121.39 1qvg n TYR 8 Ca 0.00 0.01 -0.01 0.00 3.32 0.00 0.00 57.90 61.22 1qvg n TYR 8 Cb 0.01 0.02 -0.09 0.00 -0.63 0.00 0.00 39.34 38.65 1qvg n TYR 8 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1qvg n GLY 10 N 1.42 0.19 3.86 0.00 0.00 -0.71 -0.25 105.19 109.70 1qvg n GLY 10 Ca -0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 1qvg n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qvg s THR 11 N -2.04 4.10 0.29 2.61 -4.23 -1.26 -4.50 115.64 110.60 1qvg s THR 11 Ca 0.00 0.68 -0.29 0.00 -1.18 0.00 0.00 61.69 60.90 1qvg s THR 11 Cb 0.00 -3.61 -0.10 0.00 1.34 0.00 0.00 72.50 70.13 1qvg s THR 11 CO 0.00 -0.89 1.26 -1.81 -0.54 0.00 0.00 174.62 172.64 1qvg s ASP 12 N -4.15 6.92 -0.54 3.99 1.01 -1.26 -0.80 116.67 121.84 1qvg s ASP 12 Ca 0.57 2.52 -0.20 0.00 0.71 0.00 0.00 52.55 56.15 1qvg s ASP 12 Cb -0.12 -2.63 0.07 0.00 1.01 0.00 0.00 42.92 41.24 1qvg s ASP 12 CO 0.53 -0.44 0.71 -0.63 0.21 0.00 0.00 175.17 175.56 1qvg s ILE 13 N -0.83 4.75 -0.43 0.77 1.01 -0.55 -4.83 121.20 121.10 1qvg s ILE 13 Ca 0.50 -0.48 -0.44 0.00 0.00 0.00 0.00 60.65 60.22 1qvg s ILE 13 Cb -0.37 -4.40 -0.18 0.00 0.01 0.00 0.00 42.46 37.52 1qvg s ILE 13 CO 0.46 -0.97 1.76 1.21 0.00 0.00 0.00 174.94 177.41 1qvg n GLU 14 N 6.50 0.40 -1.61 2.79 4.07 -1.26 -4.56 120.64 126.97 1qvg n GLU 14 Ca -0.06 0.14 -0.43 0.00 -0.06 0.00 0.00 57.16 56.75 1qvg n GLU 14 Cb 0.45 -1.73 -0.00 0.00 -0.06 0.00 0.00 31.44 30.09 1qvg n GLU 14 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1qvg n PRO 15 N 5.17 1.48 -2.32 5.31 -0.04 -1.26 -2.54 135.00 140.80 1qvg n PRO 15 Ca 0.34 0.52 -0.04 0.00 -0.04 0.00 0.00 63.50 64.28 1qvg n PRO 15 Cb 0.01 -2.00 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 1qvg n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qvg n GLY 16 N 1.13 0.41 3.52 0.55 0.00 -1.26 -5.02 105.19 104.52 1qvg n GLY 16 Ca 0.09 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.37 1qvg n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qvg s THR 17 N -2.54 0.03 0.00 2.61 2.01 -1.05 -5.16 115.64 111.53 1qvg s THR 17 Ca 0.04 -1.07 0.00 0.00 0.31 0.00 0.00 61.69 60.98 1qvg s THR 17 Cb -0.02 -1.81 0.00 0.00 0.01 0.00 0.00 72.50 70.68 1qvg s THR 17 CO 0.05 -0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.47 1qvg n GLY 18 N -0.33 -0.33 3.09 4.40 0.00 -1.26 -4.90 105.19 105.86 1qvg n GLY 18 Ca -0.07 -1.78 -0.16 0.00 0.00 0.00 0.00 46.02 44.00 1qvg n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qvg s THR 19 N -1.63 0.78 -0.20 2.61 2.01 -0.79 -4.99 115.64 113.43 1qvg s THR 19 Ca 0.00 -0.95 -0.01 0.00 0.31 0.00 0.00 61.69 61.04 1qvg s THR 19 Cb 0.00 -0.76 0.01 0.00 0.01 0.00 0.00 72.50 71.76 1qvg s THR 19 CO 0.00 -0.16 -0.13 -0.32 -0.69 0.00 0.00 174.62 173.32 1qvg s MET 20 N -1.23 3.17 0.09 4.92 1.75 -1.26 0.29 119.30 127.03 1qvg s MET 20 Ca -0.03 -0.74 -0.12 0.00 -1.25 0.00 0.00 55.69 53.55 1qvg s MET 20 Cb -0.08 -2.77 -0.06 0.00 2.84 0.00 0.00 34.83 34.76 1qvg s MET 20 CO 0.01 -0.19 0.46 0.12 -0.65 0.00 0.00 175.02 174.76 1qvg s PHE 21 N 1.35 3.61 -0.24 4.11 5.36 -0.40 -4.92 117.98 126.86 1qvg s PHE 21 Ca 0.05 0.92 -0.02 0.00 -0.96 0.00 0.00 56.93 56.92 1qvg s PHE 21 Cb -0.14 -2.25 0.02 0.00 -0.34 0.00 0.00 43.02 40.31 1qvg s PHE 21 CO -0.08 0.50 -0.07 0.08 -1.46 0.00 0.00 175.22 174.19 1qvg s VAL 22 N -1.38 2.85 0.85 3.12 1.01 -1.26 -1.57 120.40 124.02 1qvg s VAL 22 Ca 0.34 -0.94 -0.12 0.00 0.00 0.00 0.00 61.98 61.25 1qvg s VAL 22 Cb -0.15 -2.40 0.10 0.00 0.00 0.00 0.00 36.38 33.94 1qvg s VAL 22 CO 0.18 0.27 1.11 -1.00 0.00 0.00 0.00 175.10 175.66 1qvg s HIS 23 N 1.34 2.66 0.11 5.22 0.09 0.22 -4.93 115.29 120.00 1qvg s HIS 23 Ca 0.01 1.03 -0.32 0.00 -0.00 0.00 0.00 55.06 55.79 1qvg s HIS 23 Cb -0.16 -3.24 -0.11 0.00 -0.00 0.00 0.00 32.58 29.07 1qvg s HIS 23 CO -0.05 -2.07 1.59 -0.22 -0.00 0.00 0.00 174.74 173.98 1qvg h LYS 24 N -1.30 -0.67 -0.33 1.40 3.64 -2.00 -1.15 116.57 116.16 1qvg h LYS 24 Ca -0.49 0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.03 1qvg h LYS 24 Cb 1.30 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 33.26 1qvg h LYS 24 CO 0.60 -0.45 0.25 0.38 -2.27 0.00 0.00 179.45 177.96 1qvg h ASP 25 N -0.70 0.00 0.00 4.20 -0.00 -2.06 -3.45 116.42 114.42 1qvg h ASP 25 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.04 1qvg h ASP 25 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.03 1qvg h ASP 25 CO -0.21 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.64 1qvg n GLY 26 N -1.58 0.80 3.73 7.15 0.00 -0.43 -5.12 105.19 109.74 1qvg n GLY 26 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1qvg n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qvg s ALA 27 N -1.68 2.37 -0.09 4.61 0.00 -1.26 -4.66 121.76 121.05 1qvg s ALA 27 Ca 0.00 1.21 0.04 0.00 0.00 0.00 0.00 51.96 53.21 1qvg s ALA 27 Cb 0.00 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 1qvg s ALA 27 CO 0.00 -1.60 -0.21 0.99 0.00 0.00 0.00 175.76 174.93 1qvg s THR 28 N -1.41 2.36 -0.29 0.00 2.01 -1.26 -0.61 115.64 116.43 1qvg s THR 28 Ca 0.82 -0.93 -0.00 0.00 0.31 0.00 0.00 61.69 61.89 1qvg s THR 28 Cb -0.37 -1.91 0.09 0.00 0.01 0.00 0.00 72.50 70.32 1qvg s THR 28 CO 0.40 0.56 0.07 -0.89 -0.69 0.00 0.00 174.62 174.06 1qvg s THR 29 N 0.09 1.06 0.19 -0.82 2.01 -0.61 -4.99 115.64 112.57 1qvg s THR 29 Ca -0.10 -1.38 -0.28 0.00 0.31 0.00 0.00 61.69 60.24 1qvg s THR 29 Cb -0.16 -1.72 -0.08 0.00 0.01 0.00 0.00 72.50 70.56 1qvg s THR 29 CO 0.06 -0.54 0.88 -1.00 -0.69 0.00 0.00 174.62 173.32 1qvg s HIS 30 N 1.54 3.93 0.08 4.92 3.76 -1.26 -1.28 115.29 126.99 1qvg s HIS 30 Ca 0.07 1.78 0.10 0.00 -0.15 0.00 0.00 55.06 56.86 1qvg s HIS 30 Cb -0.18 -2.90 -0.03 0.00 1.11 0.00 0.00 32.58 30.58 1qvg s HIS 30 CO -0.19 0.44 -0.26 -0.06 -0.85 0.00 0.00 174.74 173.82 1qvg s PHE 31 N -0.99 2.28 -0.11 1.40 0.40 0.14 -1.74 117.98 119.37 1qvg s PHE 31 Ca 0.40 -0.40 0.16 0.00 -0.60 0.00 0.00 56.93 56.49 1qvg s PHE 31 Cb -0.24 -1.31 -0.14 0.00 0.51 0.00 0.00 43.02 41.84 1qvg s PHE 31 CO 0.29 0.22 0.84 0.00 0.70 0.00 0.00 175.22 177.27 1qvg s SER 33 N -5.87 -0.22 0.26 0.00 1.04 -1.26 -4.17 113.70 103.48 1qvg s SER 33 Ca -0.03 -0.60 -0.03 0.00 0.48 0.00 0.00 55.95 55.77 1qvg s SER 33 Cb 0.09 0.60 0.34 0.00 0.10 0.00 0.00 66.02 67.15 1qvg s SER 33 CO 0.81 -1.12 1.80 0.77 0.98 0.00 0.00 173.24 176.48 1qvg h SER 34 N 2.18 0.83 -0.45 7.02 4.64 -1.99 -2.70 113.55 123.08 1qvg h SER 34 Ca -0.26 -0.16 0.09 0.00 -0.47 0.00 0.00 61.79 60.99 1qvg h SER 34 Cb 1.26 -0.22 -0.09 0.00 -0.31 0.00 0.00 62.40 63.04 1qvg h SER 34 CO 0.35 0.82 -0.17 0.50 -0.87 0.00 0.00 176.83 177.46 1qvg h LYS 35 N 0.85 -0.06 0.72 4.77 3.64 -1.99 0.15 116.57 124.64 1qvg h LYS 35 Ca 0.18 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 1qvg h LYS 35 Cb 0.32 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1qvg h LYS 35 CO 0.00 -0.04 -0.34 0.00 -2.27 0.00 0.00 179.45 176.79 1qvg n GLU 37 N -4.71 -0.30 -0.35 0.00 1.02 -0.92 0.29 120.64 115.67 1qvg n GLU 37 Ca -0.12 1.12 -0.01 0.00 -0.02 0.00 0.00 57.16 58.13 1qvg n GLU 37 Cb 0.38 -1.64 0.12 0.00 -0.02 0.00 0.00 31.44 30.28 1qvg n GLU 37 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1qvg h ASN 38 N 0.00 1.03 -0.24 1.62 2.35 -0.65 -0.97 115.58 118.72 1qvg h ASN 38 Ca 0.14 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.82 1qvg h ASN 38 Cb 0.32 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 1qvg h ASN 38 CO -0.70 0.72 -0.04 0.78 -1.65 0.00 0.00 177.43 176.54 1qvg h ASN 39 N 1.21 0.55 0.27 5.81 4.21 0.11 -2.59 115.58 125.13 1qvg h ASN 39 Ca 0.37 -0.12 -0.01 0.00 1.21 0.00 0.00 56.30 57.74 1qvg h ASN 39 Cb -0.03 -0.14 0.00 0.00 -1.12 0.00 0.00 38.32 37.03 1qvg h ASN 39 CO -0.11 0.64 -0.13 0.00 -1.29 0.00 0.00 177.43 176.54 1qvg h ALA 40 N 1.42 -0.36 -0.23 -0.83 0.00 -0.11 -2.60 119.26 116.55 1qvg h ALA 40 Ca 0.11 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.96 1qvg h ALA 40 Cb 0.41 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1qvg h ALA 40 CO 0.02 -0.62 0.28 -0.44 0.00 0.00 0.00 179.25 178.48 1qvg h ASP 41 N -0.51 0.00 0.89 0.00 3.32 -0.96 0.98 116.42 120.14 1qvg h ASP 41 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1qvg h ASP 41 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1qvg h ASP 41 CO 0.06 0.00 0.00 -0.07 -1.72 0.00 0.00 179.24 177.51 1qvg h LEU 42 N 0.00 0.00 0.00 1.55 3.38 -1.09 -3.46 115.31 115.70 1qvg h LEU 42 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1qvg h LEU 42 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1qvg h LEU 42 CO -0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1qvg n GLY 43 N -0.07 0.75 3.80 0.83 0.00 0.34 -5.07 105.19 105.77 1qvg n GLY 43 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1qvg n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qvg s ARG 44 N -0.99 4.21 -0.15 1.61 0.52 -1.09 -5.03 118.95 118.03 1qvg s ARG 44 Ca 0.00 1.25 -0.04 0.00 -0.52 0.00 0.00 55.73 56.42 1qvg s ARG 44 Cb 0.00 -2.32 -0.03 0.00 0.52 0.00 0.00 34.95 33.12 1qvg s ARG 44 CO 0.00 -0.06 -0.02 -1.21 0.02 0.00 0.00 175.30 174.03 1qvg s GLU 45 N -2.90 3.59 0.45 3.54 2.02 -1.26 -4.40 118.70 119.73 1qvg s GLU 45 Ca 0.60 -0.48 0.32 0.00 0.02 0.00 0.00 54.97 55.43 1qvg s GLU 45 Cb -0.14 -2.93 1.46 0.00 0.10 0.00 0.00 34.13 32.63 1qvg s GLU 45 CO 0.18 0.33 1.61 0.00 0.02 0.00 0.00 175.26 177.40 1qvg h ALA 46 N 6.44 2.83 -0.88 5.21 0.00 -1.95 0.19 119.26 131.09 1qvg h ALA 46 Ca -0.35 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1qvg h ALA 46 Cb 1.19 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 1qvg h ALA 46 CO 0.62 -1.47 0.54 0.00 0.00 0.00 0.00 179.25 178.95 1qvg h ARG 47 N 0.06 1.19 -0.01 0.00 3.08 -1.93 -2.58 114.38 114.19 1qvg h ARG 47 Ca 0.84 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.79 1qvg h ARG 47 Cb 2.71 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 32.50 1qvg h ARG 47 CO -0.40 0.82 0.00 0.09 -1.07 0.00 0.00 179.97 179.41 1qvg n ASN 48 N -4.37 0.17 -4.23 7.04 3.02 0.05 -4.43 115.26 112.52 1qvg n ASN 48 Ca 0.10 -1.15 -0.38 0.00 -0.03 0.00 0.00 54.58 53.12 1qvg n ASN 48 Cb 0.05 -0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.10 1qvg n ASN 48 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1qvg s LEU 49 N -1.90 4.69 0.62 3.41 1.43 -0.97 -4.98 118.68 120.98 1qvg s LEU 49 Ca 0.42 -1.44 0.27 0.00 -1.03 0.00 0.00 54.13 52.36 1qvg s LEU 49 Cb 0.20 -1.87 1.42 0.00 0.03 0.00 0.00 46.19 45.96 1qvg s LEU 49 CO 0.33 -0.42 1.82 -0.33 0.23 0.00 0.00 176.35 177.98 1qvg h GLU 50 N 8.21 0.00 0.00 1.70 5.08 -1.84 -0.68 114.58 127.05 1qvg h GLU 50 Ca -0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1qvg h GLU 50 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1qvg h GLU 50 CO 0.66 0.00 -0.20 0.11 -1.00 0.00 0.00 179.01 178.58 1qvg h TRP 51 N 0.00 0.00 -2.85 4.33 5.08 -1.94 -3.43 115.95 117.15 1qvg h TRP 51 Ca 0.13 0.00 -0.54 0.00 1.08 0.00 0.00 58.89 59.57 1qvg h TRP 51 Cb 1.12 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 27.29 1qvg h TRP 51 CO 0.00 0.00 0.87 0.99 -1.28 0.00 0.00 178.44 179.02 1qvg s THR 52 N -3.21 3.35 0.31 0.12 2.01 -0.26 -4.92 115.64 113.03 1qvg s THR 52 Ca 0.06 0.83 0.07 0.00 0.31 0.00 0.00 61.69 62.96 1qvg s THR 52 Cb 0.08 -3.53 0.30 0.00 0.01 0.00 0.00 72.50 69.35 1qvg s THR 52 CO 0.68 0.01 1.73 0.44 -0.69 0.00 0.00 174.62 176.80 1qvg h ASP 53 N 7.72 0.62 0.08 3.53 5.19 -1.79 0.49 116.42 132.25 1qvg h ASP 53 Ca -0.40 0.13 0.01 0.00 -0.62 0.00 0.00 57.03 56.14 1qvg h ASP 53 Cb 1.19 0.04 -0.03 0.00 0.18 0.00 0.00 39.33 40.72 1qvg h ASP 53 CO 0.90 0.12 -0.31 0.74 -3.12 0.00 0.00 179.24 177.57 1qvg h THR 54 N 0.58 0.00 -0.86 0.35 2.02 -0.94 -0.50 112.91 113.56 1qvg h THR 54 Ca 0.61 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.98 1qvg h THR 54 Cb 1.11 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.46 1qvg h THR 54 CO -0.47 0.00 0.57 0.00 0.37 0.00 0.00 175.52 175.99 1qvg h ALA 55 N -0.99 2.21 0.00 6.16 0.00 -1.40 -3.48 119.26 121.77 1qvg h ALA 55 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qvg h ALA 55 Cb 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1qvg h ALA 55 CO -0.16 -0.47 0.00 0.54 0.00 0.00 0.00 179.25 179.15