#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qgb n LYS 18 N 0.00 0.81 0.00 4.33 -0.00 -1.26 -4.57 118.16 117.47 1qgb n LYS 18 Ca 0.00 -2.42 0.00 0.00 -0.00 0.00 0.00 58.31 55.89 1qgb n LYS 18 Cb 0.00 -1.35 0.00 0.00 -0.00 0.00 0.00 35.03 33.68 1qgb n LYS 18 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1qgb n PRO 19 N 1.26 1.20 0.00 -1.58 -0.02 -1.26 -3.81 135.00 130.79 1qgb n PRO 19 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1qgb n PRO 19 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.09 1qgb n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qgb n GLY 20 N 0.33 -0.97 2.62 -1.23 0.00 -1.25 -3.19 105.19 101.49 1qgb n GLY 20 Ca 0.00 -1.24 -0.29 0.00 0.00 0.00 0.00 46.02 44.48 1qgb n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qgb n TYR 22 N 4.25 -0.57 -3.65 0.00 4.01 -1.26 -4.44 117.16 115.49 1qgb n TYR 22 Ca 0.05 0.51 0.01 0.00 -0.16 0.00 0.00 57.90 58.31 1qgb n TYR 22 Cb 0.38 -1.98 -0.06 0.00 -0.31 0.00 0.00 39.34 37.37 1qgb n TYR 22 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1qgb s ASP 23 N -1.05 -0.08 -1.16 7.72 -1.08 -0.51 -4.95 116.67 115.57 1qgb s ASP 23 Ca 0.66 0.13 0.00 0.00 -0.52 0.00 0.00 52.55 52.81 1qgb s ASP 23 Cb -0.51 0.86 0.00 0.00 -1.46 0.00 0.00 42.92 41.81 1qgb s ASP 23 CO 0.56 -0.02 0.00 -0.46 0.52 0.00 0.00 175.17 175.77 1qgb n ASN 24 N 2.83 -3.25 0.00 -0.34 0.23 -1.26 0.12 115.26 113.59 1qgb n ASN 24 Ca -0.16 0.27 0.00 0.00 -0.53 0.00 0.00 54.58 54.16 1qgb n ASN 24 Cb 0.56 -3.00 0.00 0.00 -2.08 0.00 0.00 39.78 35.27 1qgb n ASN 24 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1qgb n GLY 25 N -0.38 1.73 3.74 4.83 0.00 -1.26 -5.02 105.19 108.82 1qgb n GLY 25 Ca -0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 1qgb n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qgb s LYS 26 N -0.43 4.28 -0.59 1.61 3.01 0.32 -5.04 119.74 122.89 1qgb s LYS 26 Ca 0.00 0.40 -0.02 0.00 -1.01 0.00 0.00 55.97 55.35 1qgb s LYS 26 Cb 0.00 -3.41 0.15 0.00 -1.01 0.00 0.00 37.83 33.56 1qgb s LYS 26 CO 0.00 0.24 0.39 -1.58 0.51 0.00 0.00 175.35 174.91 1qgb s HIS 27 N 0.38 3.39 0.95 3.18 2.46 -1.26 -1.42 115.29 122.97 1qgb s HIS 27 Ca 0.24 -2.78 -0.16 0.00 0.47 0.00 0.00 55.06 52.84 1qgb s HIS 27 Cb -0.15 -3.13 0.19 0.00 -0.13 0.00 0.00 32.58 29.35 1qgb s HIS 27 CO 0.10 -0.83 1.30 0.71 -2.47 0.00 0.00 174.74 173.54 1qgb s TYR 28 N -0.02 1.76 0.19 3.88 2.02 -1.26 -4.93 117.35 118.98 1qgb s TYR 28 Ca 0.16 0.38 -0.11 0.00 -0.37 0.00 0.00 57.07 57.14 1qgb s TYR 28 Cb -0.21 -4.02 -0.07 0.00 -0.40 0.00 0.00 41.96 37.25 1qgb s TYR 28 CO -0.03 -2.56 0.53 -0.65 -1.57 0.00 0.00 175.55 171.27 1qgb s GLN 29 N -5.84 3.84 0.52 -0.62 -1.52 -1.26 -3.67 119.66 111.12 1qgb s GLN 29 Ca 0.72 0.32 -0.19 0.00 -1.95 0.00 0.00 55.36 54.26 1qgb s GLN 29 Cb -0.05 -2.77 -0.10 0.00 -0.22 0.00 0.00 33.01 29.87 1qgb s GLN 29 CO 0.53 0.39 0.51 -0.89 -0.25 0.00 0.00 175.29 175.58 1qgb n ILE 30 N 0.23 2.02 -1.29 1.08 -0.00 -1.26 -1.03 119.36 119.10 1qgb n ILE 30 Ca -0.02 -0.50 -0.10 0.00 -0.00 0.00 0.00 62.75 62.13 1qgb n ILE 30 Cb 0.52 -0.63 -0.04 0.00 -0.00 0.00 0.00 39.64 39.49 1qgb n ILE 30 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 1qgb n ASN 31 N 0.80 -5.36 -4.91 4.38 3.02 -0.59 -4.96 115.26 107.63 1qgb n ASN 31 Ca 0.11 0.25 -0.31 0.00 -0.03 0.00 0.00 54.58 54.60 1qgb n ASN 31 Cb 0.45 -3.74 -0.04 0.00 -0.61 0.00 0.00 39.78 35.84 1qgb n ASN 31 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1qgb s GLN 32 N -2.72 3.51 0.20 3.52 0.74 -0.20 -4.78 119.66 119.92 1qgb s GLN 32 Ca 0.00 -0.31 0.07 0.00 0.05 0.00 0.00 55.36 55.18 1qgb s GLN 32 Cb 0.00 -2.95 -0.04 0.00 1.10 0.00 0.00 33.01 31.12 1qgb s GLN 32 CO 0.00 0.54 0.03 -0.65 -0.55 0.00 0.00 175.29 174.67 1qgb s GLN 33 N -2.63 2.49 0.03 1.67 -0.21 -1.26 -1.64 119.66 118.11 1qgb s GLN 33 Ca 0.37 -1.13 -0.02 0.00 0.02 0.00 0.00 55.36 54.61 1qgb s GLN 33 Cb -0.13 -2.37 0.01 0.00 1.00 0.00 0.00 33.01 31.52 1qgb s GLN 33 CO 0.27 0.44 0.08 -2.67 -2.12 0.00 0.00 175.29 171.28 1qgb n TRP 34 N -0.39 -0.98 -4.68 0.91 2.14 -0.66 -4.99 117.44 108.79 1qgb n TRP 34 Ca -0.09 -0.15 -0.33 0.00 2.07 0.00 0.00 57.50 59.00 1qgb n TRP 34 Cb 0.56 0.08 -0.13 0.00 -0.81 0.00 0.00 31.31 31.00 1qgb n TRP 34 CO 0.00 0.00 0.00 -2.00 2.07 0.00 0.00 177.69 177.76 1qgb s GLU 35 N -2.01 3.24 0.16 -2.67 -6.30 -1.26 -2.02 118.70 107.84 1qgb s GLU 35 Ca 0.02 -0.63 0.02 0.00 -2.50 0.00 0.00 54.97 51.88 1qgb s GLU 35 Cb -0.00 -2.66 -0.01 0.00 0.00 0.00 0.00 34.13 31.46 1qgb s GLU 35 CO 0.01 0.34 0.08 -2.13 0.02 0.00 0.00 175.26 173.59 1qgb n ARG 36 N 3.17 0.55 -3.77 4.30 0.63 0.58 -4.94 116.66 117.18 1qgb n ARG 36 Ca -0.18 -1.46 -0.13 0.00 -0.92 0.00 0.00 57.85 55.17 1qgb n ARG 36 Cb 0.53 0.94 -0.13 0.00 0.45 0.00 0.00 32.46 34.25 1qgb n ARG 36 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 1qgb s THR 37 N -2.34 -0.02 -0.10 5.15 -1.32 -1.26 0.26 115.64 116.00 1qgb s THR 37 Ca 0.12 0.08 0.00 0.00 -1.21 0.00 0.00 61.69 60.68 1qgb s THR 37 Cb 0.01 -0.31 0.02 0.00 -1.51 0.00 0.00 72.50 70.71 1qgb s THR 37 CO 0.08 0.03 -0.09 -0.47 -2.21 0.00 0.00 174.62 171.96 1qgb s TYR 38 N 0.68 1.53 0.00 9.09 6.14 -1.03 -4.68 117.35 129.08 1qgb s TYR 38 Ca -0.05 -0.72 0.00 0.00 0.64 0.00 0.00 57.07 56.94 1qgb s TYR 38 Cb -0.06 -1.21 0.00 0.00 0.42 0.00 0.00 41.96 41.10 1qgb s TYR 38 CO -0.04 -0.46 0.00 -0.11 0.64 0.00 0.00 175.55 175.58 1qgb n LEU 39 N 4.62 0.06 -0.32 6.97 7.94 -1.26 -3.57 117.00 131.44 1qgb n LEU 39 Ca -0.16 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.74 1qgb n LEU 39 Cb 0.50 -0.55 0.00 0.00 0.53 0.00 0.00 43.42 43.91 1qgb n LEU 39 CO 0.19 -0.05 0.00 0.61 -1.11 0.00 0.00 177.39 177.03 1qgb n GLY 40 N -2.67 0.90 3.32 -3.96 0.00 -1.26 -5.10 105.19 96.42 1qgb n GLY 40 Ca 0.00 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 1qgb n GLY 40 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qgb s ASN 41 N -2.47 -0.48 0.52 1.61 0.01 -1.23 -5.14 114.94 107.75 1qgb s ASN 41 Ca 0.00 0.90 -0.15 0.00 -0.71 0.00 0.00 52.86 52.90 1qgb s ASN 41 Cb 0.00 0.87 -0.13 0.00 0.41 0.00 0.00 41.25 42.40 1qgb s ASN 41 CO 0.00 -0.17 -0.24 0.00 -1.51 0.00 0.00 177.10 175.19 1qgb n ALA 42 N 3.29 -3.34 -3.52 0.60 0.00 -1.26 -2.45 120.51 113.83 1qgb n ALA 42 Ca -0.16 -0.16 -0.10 0.00 0.00 0.00 0.00 53.44 53.02 1qgb n ALA 42 Cb 0.56 -1.15 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 1qgb n ALA 42 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1qgb s LEU 43 N 4.85 -0.39 0.19 0.00 2.96 0.72 -4.63 118.68 122.38 1qgb s LEU 43 Ca 0.45 0.16 0.07 0.00 -0.22 0.00 0.00 54.13 54.60 1qgb s LEU 43 Cb -0.37 2.01 -0.04 0.00 0.50 0.00 0.00 46.19 48.30 1qgb s LEU 43 CO 0.60 -0.54 0.03 -0.69 -1.32 0.00 0.00 176.35 174.42 1qgb s VAL 44 N -2.44 3.84 0.30 1.68 1.01 -1.25 0.21 120.40 123.75 1qgb s VAL 44 Ca 0.02 -1.43 -0.19 0.00 0.00 0.00 0.00 61.98 60.38 1qgb s VAL 44 Cb -0.01 -2.95 0.04 0.00 0.00 0.00 0.00 36.38 33.46 1qgb s VAL 44 CO -0.05 -0.15 0.79 0.00 0.00 0.00 0.00 175.10 175.69 1qgb n THR 46 N -0.50 0.00 -4.24 0.00 -1.04 -1.16 -1.65 114.28 105.69 1qgb n THR 46 Ca -0.06 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.78 1qgb n THR 46 Cb 0.60 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.96 1qgb n THR 46 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qgb n TYR 48 N 2.85 0.00 0.00 0.00 4.02 -1.26 -1.54 117.16 121.22 1qgb n TYR 48 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.76 1qgb n TYR 48 Cb 0.58 -0.47 0.00 0.00 -0.02 0.00 0.00 39.34 39.42 1qgb n TYR 48 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1qgb n GLY 49 N 2.76 3.35 2.09 2.72 0.00 -1.26 -4.68 105.19 110.17 1qgb n GLY 49 Ca -0.20 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 43.94 1qgb n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qgb n GLY 50 N -1.36 -0.40 3.31 -0.02 0.00 -1.19 0.10 105.19 105.63 1qgb n GLY 50 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1qgb n GLY 50 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1qgb n SER 51 N -1.18 -3.73 0.11 1.61 2.88 -1.26 -4.85 113.62 107.20 1qgb n SER 51 Ca 0.00 -0.36 -0.13 0.00 -1.33 0.00 0.00 58.87 57.06 1qgb n SER 51 Cb 0.40 -3.09 -0.07 0.00 -0.75 0.00 0.00 64.21 60.70 1qgb n SER 51 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1qgb h ARG 52 N -0.92 -0.24 0.00 -1.46 3.08 0.30 -3.46 114.38 111.68 1qgb h ARG 52 Ca -0.42 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.64 1qgb h ARG 52 Cb 1.28 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.39 1qgb h ARG 52 CO 0.52 -0.16 0.00 0.41 -1.07 0.00 0.00 179.97 179.67 1qgb n GLY 53 N -1.22 -0.46 0.65 0.04 0.00 -1.26 -5.09 105.19 97.84 1qgb n GLY 53 Ca -0.08 0.57 -0.06 0.00 0.00 0.00 0.00 46.02 46.45 1qgb n GLY 53 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1qgb n PHE 54 N 0.00 -2.18 -3.72 1.61 1.16 -1.26 -4.82 117.46 108.24 1qgb n PHE 54 Ca 0.00 -0.14 -0.25 0.00 -1.87 0.00 0.00 57.45 55.19 1qgb n PHE 54 Cb 0.00 -0.26 -0.17 0.00 -1.61 0.00 0.00 39.48 37.44 1qgb n PHE 54 CO 0.00 0.00 0.00 1.21 -1.87 0.00 0.00 176.76 176.10 1qgb s ASN 55 N -2.11 2.25 0.65 5.98 3.84 -1.26 -4.96 114.94 119.32 1qgb s ASN 55 Ca 0.13 -0.48 0.02 0.00 0.21 0.00 0.00 52.86 52.74 1qgb s ASN 55 Cb -0.02 -0.46 0.12 0.00 -0.55 0.00 0.00 41.25 40.34 1qgb s ASN 55 CO 0.11 -0.27 0.84 0.00 -2.79 0.00 0.00 177.10 174.98 1qgb n GLU 57 N -2.50 0.00 -3.21 0.00 0.28 0.11 -4.90 120.64 110.42 1qgb n GLU 57 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.15 1qgb n GLU 57 Cb 0.53 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.40 1qgb n GLU 57 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1qgb n SER 58 N 0.00 0.00 -4.92 -1.84 2.88 -1.26 -4.49 113.62 103.99 1qgb n SER 58 Ca 0.00 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.28 1qgb n SER 58 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1qgb n SER 58 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1qgb s LYS 59 N -1.55 3.53 0.99 -1.46 -0.14 -1.26 -3.92 119.74 115.92 1qgb s LYS 59 Ca 0.00 -0.05 -0.14 0.00 -1.36 0.00 0.00 55.97 54.42 1qgb s LYS 59 Cb 0.00 -2.53 0.14 0.00 -1.68 0.00 0.00 37.83 33.76 1qgb s LYS 59 CO 0.00 -0.01 0.19 -2.30 -0.76 0.00 0.00 175.35 172.47 1qgb n PRO 60 N -1.93 -1.99 -0.38 -1.68 -0.02 -1.26 -4.98 135.00 122.77 1qgb n PRO 60 Ca -0.02 -0.59 0.01 0.00 -2.02 0.00 0.00 63.50 60.88 1qgb n PRO 60 Cb 0.55 -1.44 0.01 0.00 -0.02 0.00 0.00 33.50 32.60 1qgb n PRO 60 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1qgb n GLU 61 N -1.40 0.11 -4.04 -0.52 0.28 -1.26 -5.04 120.64 108.77 1qgb n GLU 61 Ca 0.05 -1.00 -0.31 0.00 -0.16 0.00 0.00 57.16 55.74 1qgb n GLU 61 Cb 0.37 -0.56 -0.16 0.00 1.43 0.00 0.00 31.44 32.52 1qgb n GLU 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1qgb s ALA 62 N -0.17 2.07 -0.50 -1.84 0.00 -1.26 -5.09 121.76 114.97 1qgb s ALA 62 Ca 0.02 -1.15 -0.23 0.00 0.00 0.00 0.00 51.96 50.60 1qgb s ALA 62 Cb 0.01 -1.20 0.04 0.00 0.00 0.00 0.00 23.12 21.97 1qgb s ALA 62 CO 0.00 -0.59 0.84 -2.00 0.00 0.00 0.00 175.76 174.02 1qgb s GLU 63 N 1.38 3.34 -0.04 0.00 2.12 -1.26 -4.69 118.70 119.55 1qgb s GLU 63 Ca 0.02 -0.26 0.02 0.00 0.36 0.00 0.00 54.97 55.11 1qgb s GLU 63 Cb -0.15 -4.01 0.05 0.00 0.26 0.00 0.00 34.13 30.29 1qgb s GLU 63 CO -0.10 -1.29 0.62 -1.91 -0.54 0.00 0.00 175.26 172.04 1qgb n GLU 64 N 6.99 0.18 -1.03 4.30 2.13 -1.26 -5.06 120.64 126.89 1qgb n GLU 64 Ca 0.01 -0.16 0.00 0.00 0.66 0.00 0.00 57.16 57.67 1qgb n GLU 64 Cb 0.48 0.08 0.00 0.00 0.27 0.00 0.00 31.44 32.26 1qgb n GLU 64 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1qgb n THR 65 N -0.20 0.00 0.15 6.31 -2.24 -1.26 -4.35 114.28 112.69 1qgb n THR 65 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1qgb n THR 65 Cb 0.54 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 1qgb n THR 65 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qgb n PHE 67 N -3.13 -0.05 -1.10 0.00 -0.00 -1.26 -4.71 117.46 107.21 1qgb n PHE 67 Ca 0.00 0.02 -0.19 0.00 -0.00 0.00 0.00 57.45 57.28 1qgb n PHE 67 Cb 0.00 -1.53 -0.02 0.00 -0.00 0.00 0.00 39.48 37.93 1qgb n PHE 67 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1qgb n ASP 68 N 0.01 6.32 0.00 -2.13 2.03 -1.26 -4.96 116.55 116.56 1qgb n ASP 68 Ca -0.00 -3.04 0.00 0.00 0.52 0.00 0.00 54.79 52.27 1qgb n ASP 68 Cb 0.00 -1.15 0.00 0.00 -0.72 0.00 0.00 41.12 39.25 1qgb n ASP 68 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1qgb n LYS 69 N 0.77 0.00 0.00 -0.67 2.85 -1.26 -4.71 118.16 115.14 1qgb n LYS 69 Ca 0.36 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.62 1qgb n LYS 69 Cb 0.59 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.97 1qgb n LYS 69 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1qgb n TYR 70 N 6.19 0.00 0.00 5.58 4.01 -1.26 -3.26 117.16 128.42 1qgb n TYR 70 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1qgb n TYR 70 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1qgb n TYR 70 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1qgb n THR 71 N 0.00 0.00 0.00 -0.72 5.66 -1.26 -5.06 114.28 112.90 1qgb n THR 71 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1qgb n THR 71 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1qgb n THR 71 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1qgb n GLY 72 N -0.64 -0.24 2.80 1.09 0.00 -1.20 -5.06 105.19 101.93 1qgb n GLY 72 Ca 0.00 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 1qgb n GLY 72 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qgb n ASN 73 N 0.00 6.92 -4.57 1.61 3.02 -1.26 -5.03 115.26 115.95 1qgb n ASN 73 Ca 0.00 -3.81 -0.58 0.00 -0.03 0.00 0.00 54.58 50.16 1qgb n ASN 73 Cb 0.00 -0.93 -0.08 0.00 -0.61 0.00 0.00 39.78 38.16 1qgb n ASN 73 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1qgb n THR 74 N -0.54 0.02 -3.74 3.41 5.66 -1.26 -4.44 114.28 113.39 1qgb n THR 74 Ca 0.51 -0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 61.25 1qgb n THR 74 Cb 0.34 -0.39 0.01 0.00 -1.55 0.00 0.00 70.33 68.75 1qgb n THR 74 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1qgb n TYR 75 N 2.35 -0.87 -4.70 1.09 4.01 -1.26 -4.85 117.16 112.94 1qgb n TYR 75 Ca 0.21 -2.34 -0.33 0.00 -0.16 0.00 0.00 57.90 55.28 1qgb n TYR 75 Cb 0.10 -0.48 -0.13 0.00 -0.31 0.00 0.00 39.34 38.52 1qgb n TYR 75 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1qgb s ARG 76 N -4.38 3.28 0.63 -0.72 6.06 -1.26 -3.20 118.95 119.36 1qgb s ARG 76 Ca 0.37 -0.64 0.30 0.00 -2.50 0.00 0.00 55.73 53.27 1qgb s ARG 76 Cb -0.03 -2.66 1.65 0.00 0.06 0.00 0.00 34.95 33.97 1qgb s ARG 76 CO 0.24 0.31 1.92 -0.24 -2.50 0.00 0.00 175.30 175.03 1qgb h VAL 77 N 5.11 0.00 -0.63 7.11 3.04 -1.79 0.87 116.25 129.95 1qgb h VAL 77 Ca -0.31 0.00 -0.41 0.00 -1.01 0.00 0.00 66.70 64.97 1qgb h VAL 77 Cb 1.20 0.67 -0.25 0.00 -2.01 0.00 0.00 31.29 30.90 1qgb h VAL 77 CO 0.56 0.00 -0.07 0.61 -1.01 0.00 0.00 177.57 177.67 1qgb n GLY 78 N -1.21 5.53 3.37 3.17 0.00 -1.26 -4.79 105.19 110.01 1qgb n GLY 78 Ca -0.02 -1.86 -0.08 0.00 0.00 0.00 0.00 46.02 44.05 1qgb n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qgb s ASP 79 N -2.65 -0.57 0.81 1.61 -1.08 0.30 -5.17 116.67 109.91 1qgb s ASP 79 Ca 0.51 1.11 -0.12 0.00 -0.52 0.00 0.00 52.55 53.53 1qgb s ASP 79 Cb 0.43 1.23 0.08 0.00 -1.46 0.00 0.00 42.92 43.20 1qgb s ASP 79 CO 0.01 -0.22 1.14 0.42 0.52 0.00 0.00 175.17 177.05 1qgb s THR 80 N 2.00 2.44 0.12 1.71 -4.23 -1.26 -4.39 115.64 112.03 1qgb s THR 80 Ca -0.07 0.14 -0.26 0.00 -1.18 0.00 0.00 61.69 60.33 1qgb s THR 80 Cb -0.09 -3.07 0.07 0.00 1.34 0.00 0.00 72.50 70.75 1qgb s THR 80 CO -0.15 -0.19 0.93 -0.72 -0.54 0.00 0.00 174.62 173.95 1qgb s TYR 81 N -3.43 -0.19 -0.02 3.99 1.13 -0.60 -5.02 117.35 113.21 1qgb s TYR 81 Ca 0.61 -0.08 0.00 0.00 -1.41 0.00 0.00 57.07 56.20 1qgb s TYR 81 Cb -0.12 0.62 0.02 0.00 -1.10 0.00 0.00 41.96 41.38 1qgb s TYR 81 CO 0.51 -0.78 0.01 -1.83 -2.51 0.00 0.00 175.55 170.95 1qgb s GLU 82 N -3.28 0.11 0.00 -3.49 4.04 -1.26 0.31 118.70 115.14 1qgb s GLU 82 Ca 0.10 0.09 0.02 0.00 0.04 0.00 0.00 54.97 55.22 1qgb s GLU 82 Cb -0.01 -0.29 -0.01 0.00 0.02 0.00 0.00 34.13 33.84 1qgb s GLU 82 CO -0.01 -0.11 -0.05 1.03 -1.84 0.00 0.00 175.26 174.29 1qgb s ARG 83 N 0.78 0.41 -0.10 -4.83 0.52 -0.99 -4.93 118.95 109.82 1qgb s ARG 83 Ca -0.07 -0.23 -0.30 0.00 -0.52 0.00 0.00 55.73 54.61 1qgb s ARG 83 Cb -0.10 -0.38 -0.02 0.00 0.52 0.00 0.00 34.95 34.97 1qgb s ARG 83 CO -0.02 0.10 1.11 -1.25 0.02 0.00 0.00 175.30 175.26 1qgb s PRO 84 N -0.25 4.36 -0.23 3.54 0.04 -1.26 -3.08 135.00 138.11 1qgb s PRO 84 Ca 0.01 1.52 -0.01 0.00 0.04 0.00 0.00 61.00 62.57 1qgb s PRO 84 Cb -0.03 -3.58 0.07 0.00 0.04 0.00 0.00 34.50 31.00 1qgb s PRO 84 CO -0.00 -0.43 -0.00 0.21 0.04 0.00 0.00 177.00 176.81 1qgb s LYS 85 N 2.34 1.17 0.00 4.56 2.47 -0.26 -4.79 119.74 125.24 1qgb s LYS 85 Ca 0.51 -0.84 0.00 0.00 -1.56 0.00 0.00 55.97 54.08 1qgb s LYS 85 Cb -0.21 -2.38 0.00 0.00 -1.46 0.00 0.00 37.83 33.79 1qgb s LYS 85 CO 0.18 -0.68 0.00 -3.47 0.16 0.00 0.00 175.35 171.54 1qgb n ASP 86 N 4.81 0.00 0.00 1.43 -0.08 -1.26 -3.52 116.55 117.92 1qgb n ASP 86 Ca -0.09 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.19 1qgb n ASP 86 Cb 0.45 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.91 1qgb n ASP 86 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1qgb n SER 87 N 1.13 0.00 -4.94 1.67 7.64 -1.26 -5.15 113.62 112.71 1qgb n SER 87 Ca 0.00 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.61 1qgb n SER 87 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1qgb n SER 87 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1qgb s MET 88 N 0.00 3.48 -0.13 1.43 1.75 -1.23 -5.04 119.30 119.56 1qgb s MET 88 Ca 0.00 -0.47 -0.04 0.00 -1.25 0.00 0.00 55.69 53.93 1qgb s MET 88 Cb 0.00 -2.90 -0.03 0.00 2.84 0.00 0.00 34.83 34.74 1qgb s MET 88 CO 0.00 0.45 0.02 0.42 -0.65 0.00 0.00 175.02 175.26 1qgb s ILE 89 N -1.82 4.43 -0.06 10.11 1.01 -1.26 -1.10 121.20 132.52 1qgb s ILE 89 Ca 0.37 -0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.85 1qgb s ILE 89 Cb -0.11 -2.92 0.01 0.00 0.01 0.00 0.00 42.46 39.45 1qgb s ILE 89 CO 0.29 0.54 -0.10 0.26 0.00 0.00 0.00 174.94 175.93 1qgb s TRP 90 N -0.27 1.26 -1.00 3.97 0.52 -1.18 -3.17 118.94 119.07 1qgb s TRP 90 Ca 0.07 -0.43 -0.10 0.00 0.02 0.00 0.00 56.10 55.66 1qgb s TRP 90 Cb -0.12 -0.94 -0.07 0.00 -1.15 0.00 0.00 33.47 31.19 1qgb s TRP 90 CO 0.02 -0.23 2.18 -0.25 0.02 0.00 0.00 176.95 178.69 1qgb n ASP 91 N 3.78 4.88 -4.51 2.95 8.00 -1.20 -2.33 116.55 128.11 1qgb n ASP 91 Ca -0.23 -2.44 -0.41 0.00 0.71 0.00 0.00 54.79 52.41 1qgb n ASP 91 Cb 0.52 -1.18 0.01 0.00 -0.02 0.00 0.00 41.12 40.45 1qgb n ASP 91 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qgb s THR 93 N -1.40 0.76 -0.90 0.00 2.01 0.30 -1.56 115.64 114.85 1qgb s THR 93 Ca 0.64 -0.19 -0.27 0.00 0.31 0.00 0.00 61.69 62.18 1qgb s THR 93 Cb -0.58 -0.78 -0.24 0.00 0.01 0.00 0.00 72.50 70.91 1qgb s THR 93 CO 0.57 0.30 1.99 0.00 -0.69 0.00 0.00 174.62 176.79 1qgb s ILE 95 N 14.42 5.00 0.00 0.00 1.01 -1.26 -3.83 121.20 136.54 1qgb s ILE 95 Ca 0.77 -2.26 0.00 0.00 0.00 0.00 0.00 60.65 59.16 1qgb s ILE 95 Cb -0.00 -4.82 0.00 0.00 0.01 0.00 0.00 42.46 37.65 1qgb s ILE 95 CO 0.21 -1.52 0.00 0.61 0.00 0.00 0.00 174.94 174.24 1qgb n GLY 96 N 4.56 0.32 3.55 6.18 0.00 -1.26 -1.20 105.19 117.34 1qgb n GLY 96 Ca 0.30 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.10 1qgb n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qgb n ALA 97 N 0.00 -1.60 0.00 4.61 0.00 -1.25 -4.35 120.51 117.92 1qgb n ALA 97 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1qgb n ALA 97 Cb 0.00 -4.22 0.00 0.00 0.00 0.00 0.00 19.45 15.23 1qgb n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qgb n GLY 98 N -1.66 0.65 0.00 0.00 0.00 0.35 -4.32 105.19 100.21 1qgb n GLY 98 Ca -0.11 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1qgb n GLY 98 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1qgb n ARG 99 N 0.00 0.00 0.06 1.61 0.00 -1.26 -4.53 116.66 112.53 1qgb n ARG 99 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.82 1qgb n ARG 99 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.45 1qgb n ARG 99 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1qgb h GLY 100 N 0.00 -0.20 -5.00 5.14 0.00 -1.77 -3.47 103.07 97.77 1qgb h GLY 100 Ca 0.00 0.07 -0.09 0.00 0.00 0.00 0.00 47.33 47.32 1qgb h GLY 100 CO 0.00 -0.07 0.07 -0.96 0.00 0.00 0.00 176.54 175.57 1qgb n ARG 101 N -3.57 0.11 -1.21 4.80 1.85 -0.34 -4.97 116.66 113.33 1qgb n ARG 101 Ca -0.02 -0.66 -0.21 0.00 -1.00 0.00 0.00 57.85 55.96 1qgb n ARG 101 Cb 0.08 -0.13 -0.17 0.00 -1.05 0.00 0.00 32.46 31.18 1qgb n ARG 101 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1qgb n ILE 102 N 0.77 0.00 -2.49 8.89 5.41 -1.26 -4.60 119.36 126.08 1qgb n ILE 102 Ca -0.04 -0.33 -0.37 0.00 1.00 0.00 0.00 62.75 63.02 1qgb n ILE 102 Cb 0.75 -0.08 -0.03 0.00 -0.71 0.00 0.00 39.64 39.56 1qgb n ILE 102 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1qgb s SER 103 N 1.41 6.66 -0.09 4.38 0.15 -1.16 -4.80 113.70 120.25 1qgb s SER 103 Ca 1.07 2.09 -0.07 0.00 0.70 0.00 0.00 55.95 59.74 1qgb s SER 103 Cb -0.75 -2.59 0.03 0.00 -1.71 0.00 0.00 66.02 61.00 1qgb s SER 103 CO 0.45 -0.56 0.23 0.00 1.20 0.00 0.00 173.24 174.55 1qgb s THR 105 N 0.37 -0.11 -0.17 0.00 -1.32 -1.26 -4.98 115.64 108.17 1qgb s THR 105 Ca -0.02 0.24 -0.42 0.00 -1.21 0.00 0.00 61.69 60.28 1qgb s THR 105 Cb -0.04 -0.24 -0.19 0.00 -1.51 0.00 0.00 72.50 70.52 1qgb s THR 105 CO -0.02 0.10 1.32 -0.38 -2.21 0.00 0.00 174.62 173.44 1qgb n ILE 106 N 4.52 0.02 -3.64 5.08 5.41 -1.26 -3.21 119.36 126.29 1qgb n ILE 106 Ca -0.20 -0.00 -0.40 0.00 1.00 0.00 0.00 62.75 63.15 1qgb n ILE 106 Cb 0.51 -0.35 -0.11 0.00 -0.71 0.00 0.00 39.64 38.98 1qgb n ILE 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1qgb s ALA 107 N 1.30 3.24 -1.12 -1.39 0.00 -1.19 -4.90 121.76 117.70 1qgb s ALA 107 Ca 0.95 -2.08 -0.23 0.00 0.00 0.00 0.00 51.96 50.60 1qgb s ALA 107 Cb -1.29 -2.56 -0.09 0.00 0.00 0.00 0.00 23.12 19.17 1qgb s ALA 107 CO 0.64 -1.59 1.96 -0.80 0.00 0.00 0.00 175.76 175.97 1qgb s ASN 108 N 1.94 4.92 0.00 0.00 0.01 -1.26 -4.96 114.94 115.59 1qgb s ASN 108 Ca 0.02 -1.42 0.00 0.00 -0.71 0.00 0.00 52.86 50.75 1qgb s ASN 108 Cb -0.22 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 38.85 1qgb s ASN 108 CO 0.02 -3.15 0.00 -1.14 -1.51 0.00 0.00 177.10 171.32