#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 -1.07 -0.96 -1.46 2.85 -1.26 -4.84 118.16 111.42 1qgb n LYS 18 Ca 0.00 0.47 -0.33 0.00 -1.05 0.00 0.00 58.31 57.40 1qgb n LYS 18 Cb 0.00 -1.87 0.13 0.00 -0.65 0.00 0.00 35.03 32.65 1qgb n LYS 18 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1qgb n PRO 19 N -2.81 -0.05 -2.44 -1.58 -0.02 -1.26 -4.85 135.00 121.99 1qgb n PRO 19 Ca -0.23 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 1qgb n PRO 19 Cb 0.56 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 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 0.75 -0.03 2.93 -1.23 0.00 -1.25 -4.74 105.19 101.63 1qgb n GLY 20 Ca 0.12 -1.43 -0.08 0.00 0.00 0.00 0.00 46.02 44.62 1qgb n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qgb s TYR 22 N 2.36 3.38 -0.26 0.00 2.02 -1.26 -3.44 117.35 120.14 1qgb s TYR 22 Ca 0.11 1.38 -0.10 0.00 -0.37 0.00 0.00 57.07 58.09 1qgb s TYR 22 Cb -0.12 -3.48 0.11 0.00 -0.40 0.00 0.00 41.96 38.07 1qgb s TYR 22 CO -0.25 -1.37 0.58 -0.51 -1.57 0.00 0.00 175.55 172.44 1qgb s ASP 23 N 0.13 -0.85 -1.55 2.29 1.01 0.18 -4.94 116.67 112.93 1qgb s ASP 23 Ca 0.53 1.38 -0.05 0.00 0.71 0.00 0.00 52.55 55.12 1qgb s ASP 23 Cb -0.34 1.84 0.05 0.00 1.01 0.00 0.00 42.92 45.48 1qgb s ASP 23 CO 0.38 -0.22 0.36 -0.46 0.21 0.00 0.00 175.17 175.43 1qgb n ASN 24 N 5.21 -0.55 0.00 0.27 0.23 -1.26 0.22 115.26 119.38 1qgb n ASN 24 Ca -0.13 -1.12 0.00 0.00 -0.53 0.00 0.00 54.58 52.80 1qgb n ASN 24 Cb 0.51 -2.40 0.00 0.00 -2.08 0.00 0.00 39.78 35.80 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 -2.00 0.50 3.69 4.83 0.00 -1.26 -4.98 105.19 105.97 1qgb n GLY 25 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.54 3.74 -0.53 1.61 3.01 0.58 -5.07 119.74 122.55 1qgb s LYS 26 Ca 0.00 -0.31 0.01 0.00 -1.01 0.00 0.00 55.97 54.66 1qgb s LYS 26 Cb 0.00 -3.16 0.14 0.00 -1.01 0.00 0.00 37.83 33.80 1qgb s LYS 26 CO 0.00 0.43 0.30 -1.58 0.51 0.00 0.00 175.35 175.02 1qgb s HIS 27 N -0.08 3.36 0.01 3.18 2.46 -1.26 0.48 115.29 123.44 1qgb s HIS 27 Ca 0.07 -2.94 -0.30 0.00 0.47 0.00 0.00 55.06 52.36 1qgb s HIS 27 Cb -0.12 -3.00 -0.03 0.00 -0.13 0.00 0.00 32.58 29.30 1qgb s HIS 27 CO 0.01 -0.82 0.99 0.71 -2.47 0.00 0.00 174.74 173.16 1qgb s TYR 28 N 0.01 3.67 0.27 3.88 2.02 -1.22 -4.92 117.35 121.06 1qgb s TYR 28 Ca 0.16 1.70 -0.30 0.00 -0.37 0.00 0.00 57.07 58.25 1qgb s TYR 28 Cb -0.23 -3.12 -0.11 0.00 -0.40 0.00 0.00 41.96 38.10 1qgb s TYR 28 CO -0.02 -0.03 1.51 -1.14 -1.57 0.00 0.00 175.55 174.29 1qgb s GLN 29 N 0.90 4.20 0.11 -0.62 0.74 -1.26 -3.62 119.66 120.11 1qgb s GLN 29 Ca 0.52 2.42 -0.17 0.00 0.05 0.00 0.00 55.36 58.18 1qgb s GLN 29 Cb -0.22 -3.07 -0.10 0.00 1.10 0.00 0.00 33.01 30.72 1qgb s GLN 29 CO 0.28 -0.51 0.34 -0.89 -0.55 0.00 0.00 175.29 173.96 1qgb n ILE 30 N 2.27 1.07 -0.96 -2.34 -0.00 -1.26 0.10 119.36 118.25 1qgb n ILE 30 Ca 0.07 -0.27 0.00 0.00 -0.00 0.00 0.00 62.75 62.56 1qgb n ILE 30 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.03 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 1.16 -0.24 -4.76 4.38 3.02 0.66 -4.91 115.26 114.55 1qgb n ASN 31 Ca 0.11 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.27 1qgb n ASN 31 Cb 0.14 -0.28 -0.05 0.00 -0.61 0.00 0.00 39.78 38.98 1qgb n ASN 31 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1qgb s GLN 32 N -0.10 4.61 -0.11 3.52 -1.52 0.11 -4.70 119.66 121.47 1qgb s GLN 32 Ca 0.00 1.59 0.01 0.00 -1.95 0.00 0.00 55.36 55.01 1qgb s GLN 32 Cb 0.00 -3.04 -0.02 0.00 -0.22 0.00 0.00 33.01 29.73 1qgb s GLN 32 CO 0.00 0.25 -0.13 -0.65 -0.25 0.00 0.00 175.29 174.50 1qgb s GLN 33 N -1.65 3.18 0.00 2.91 -0.21 -1.26 0.28 119.66 122.91 1qgb s GLN 33 Ca 0.47 -0.69 0.00 0.00 0.02 0.00 0.00 55.36 55.16 1qgb s GLN 33 Cb -0.27 -2.57 0.00 0.00 1.00 0.00 0.00 33.01 31.17 1qgb s GLN 33 CO 0.34 0.31 0.00 -2.67 -2.12 0.00 0.00 175.29 171.15 1qgb n TRP 34 N 3.24 -0.36 -5.07 0.91 2.14 0.21 -4.98 117.44 113.53 1qgb n TRP 34 Ca -0.18 0.00 -0.30 0.00 2.07 0.00 0.00 57.50 59.10 1qgb n TRP 34 Cb 0.53 0.00 -0.17 0.00 -0.81 0.00 0.00 31.31 30.86 1qgb n TRP 34 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 1qgb s GLU 35 N -1.54 2.44 0.38 -2.67 2.02 -1.26 0.19 118.70 118.26 1qgb s GLU 35 Ca 0.00 -0.77 0.08 0.00 0.02 0.00 0.00 54.97 54.30 1qgb s GLU 35 Cb 0.00 -1.98 -0.07 0.00 0.10 0.00 0.00 34.13 32.18 1qgb s GLU 35 CO 0.00 0.24 -0.04 0.50 0.02 0.00 0.00 175.26 175.98 1qgb s ARG 36 N 0.16 1.89 0.33 1.61 3.00 0.64 -4.82 118.95 121.76 1qgb s ARG 36 Ca -0.10 -2.02 0.08 0.00 -1.00 0.00 0.00 55.73 52.68 1qgb s ARG 36 Cb -0.15 -1.67 -0.04 0.00 0.00 0.00 0.00 34.95 33.09 1qgb s ARG 36 CO 0.05 0.04 0.18 0.95 0.00 0.00 0.00 175.30 176.53 1qgb s THR 37 N -2.66 3.35 -0.37 4.11 -4.23 -1.26 0.59 115.64 115.17 1qgb s THR 37 Ca 0.34 -1.58 0.06 0.00 -1.18 0.00 0.00 61.69 59.33 1qgb s THR 37 Cb 0.06 -3.07 0.17 0.00 1.34 0.00 0.00 72.50 71.01 1qgb s THR 37 CO 0.17 -0.21 0.53 -0.47 -0.54 0.00 0.00 174.62 174.11 1qgb s TYR 38 N -2.35 -1.32 -1.22 3.99 6.14 -1.23 -4.88 117.35 116.47 1qgb s TYR 38 Ca 0.38 0.14 0.00 0.00 0.64 0.00 0.00 57.07 58.23 1qgb s TYR 38 Cb -0.04 0.08 0.00 0.00 0.42 0.00 0.00 41.96 42.42 1qgb s TYR 38 CO 0.24 -1.09 0.00 1.28 0.64 0.00 0.00 175.55 176.62 1qgb n LEU 39 N 4.66 -0.75 0.00 6.97 7.99 -1.26 -2.18 117.00 132.43 1qgb n LEU 39 Ca 0.09 0.29 0.00 0.00 -0.01 0.00 0.00 56.01 56.37 1qgb n LEU 39 Cb 0.53 -1.99 0.00 0.00 -0.11 0.00 0.00 43.42 41.85 1qgb n LEU 39 CO 0.01 -0.69 0.00 0.61 -1.51 0.00 0.00 177.39 175.81 1qgb n GLY 40 N -1.20 1.13 1.25 -0.72 0.00 -1.26 -5.11 105.19 99.27 1qgb n GLY 40 Ca -0.12 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.83 1qgb n GLY 40 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qgb n ASN 41 N 0.00 0.51 -3.70 1.61 3.02 -0.93 -5.11 115.26 110.66 1qgb n ASN 41 Ca 0.00 -1.40 -0.28 0.00 -0.03 0.00 0.00 54.58 52.87 1qgb n ASN 41 Cb 0.00 -0.19 -0.16 0.00 -0.61 0.00 0.00 39.78 38.82 1qgb n ASN 41 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qgb s ALA 42 N -2.68 0.96 0.22 5.41 0.00 -1.26 -3.51 121.76 120.90 1qgb s ALA 42 Ca 0.21 -0.80 0.11 0.00 0.00 0.00 0.00 51.96 51.47 1qgb s ALA 42 Cb -0.01 -1.24 -0.05 0.00 0.00 0.00 0.00 23.12 21.82 1qgb s ALA 42 CO 0.14 -1.28 -0.20 -0.51 0.00 0.00 0.00 175.76 173.90 1qgb s LEU 43 N 1.89 2.52 -0.13 0.00 2.01 0.20 -2.38 118.68 122.78 1qgb s LEU 43 Ca 0.02 -0.95 -0.14 0.00 0.01 0.00 0.00 54.13 53.07 1qgb s LEU 43 Cb -0.17 -1.01 -0.05 0.00 0.01 0.00 0.00 46.19 44.98 1qgb s LEU 43 CO -0.13 0.02 0.31 -0.69 1.01 0.00 0.00 176.35 176.87 1qgb s VAL 44 N -2.27 5.28 0.22 -1.59 1.01 -0.04 0.23 120.40 123.24 1qgb s VAL 44 Ca 0.24 0.59 0.09 0.00 0.00 0.00 0.00 61.98 62.90 1qgb s VAL 44 Cb -0.05 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1qgb s VAL 44 CO 0.11 0.43 -0.07 0.00 0.00 0.00 0.00 175.10 175.57 1qgb s THR 46 N -2.03 -0.04 0.15 0.00 2.01 -1.09 0.64 115.64 115.29 1qgb s THR 46 Ca 0.28 0.14 -0.26 0.00 0.31 0.00 0.00 61.69 62.16 1qgb s THR 46 Cb -0.07 -0.36 -0.08 0.00 0.01 0.00 0.00 72.50 72.00 1qgb s THR 46 CO 0.17 0.06 0.79 0.00 -0.69 0.00 0.00 174.62 174.95 1qgb n TYR 48 N 1.77 0.00 0.00 0.00 4.02 -1.18 0.24 117.16 122.01 1qgb n TYR 48 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.84 1qgb n TYR 48 Cb 0.49 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.80 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 1.73 0.75 2.78 2.72 0.00 -1.26 -4.69 105.19 107.22 1qgb n GLY 49 Ca 0.00 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 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 0.00 5.03 0.00 -0.02 0.00 -1.24 -3.80 105.19 105.16 1qgb n GLY 50 Ca 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.81 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 2.69 0.00 0.31 1.61 2.88 -1.26 -4.93 113.62 114.91 1qgb n SER 51 Ca 0.43 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 58.15 1qgb n SER 51 Cb 0.32 0.00 0.96 0.00 -0.75 0.00 0.00 64.21 64.75 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 0.00 0.00 -1.10 -1.46 3.08 -1.84 -3.48 114.38 109.59 1qgb h ARG 52 Ca 0.00 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.17 1qgb h ARG 52 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 1qgb h ARG 52 CO 0.00 0.00 -0.27 0.41 -1.07 0.00 0.00 179.97 179.04 1qgb n GLY 53 N -1.16 -2.01 3.09 0.04 0.00 -1.26 -4.78 105.19 99.11 1qgb n GLY 53 Ca -0.02 -1.38 -0.35 0.00 0.00 0.00 0.00 46.02 44.27 1qgb n GLY 53 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1qgb s PHE 54 N -2.17 3.53 0.27 1.61 -0.71 -1.26 -3.09 117.98 116.16 1qgb s PHE 54 Ca 0.00 -2.62 -0.29 0.00 -1.04 0.00 0.00 56.93 52.97 1qgb s PHE 54 Cb 0.00 -3.16 -0.09 0.00 -1.21 0.00 0.00 43.02 38.56 1qgb s PHE 54 CO 0.00 -0.92 1.21 -0.80 -1.34 0.00 0.00 175.22 173.37 1qgb s ASN 55 N 1.25 7.03 0.10 1.98 -0.87 -1.20 -4.66 114.94 118.57 1qgb s ASN 55 Ca 0.12 2.41 -0.06 0.00 -1.57 0.00 0.00 52.86 53.76 1qgb s ASN 55 Cb -0.22 -2.63 -0.02 0.00 -0.02 0.00 0.00 41.25 38.36 1qgb s ASN 55 CO -0.04 -0.36 0.13 0.00 -2.57 0.00 0.00 177.10 174.27 1qgb s GLU 57 N -3.93 1.15 0.87 0.00 -1.05 -0.96 -4.95 118.70 109.82 1qgb s GLU 57 Ca 0.12 -0.45 -0.16 0.00 -0.15 0.00 0.00 54.97 54.33 1qgb s GLU 57 Cb 0.06 0.51 -0.13 0.00 -0.44 0.00 0.00 34.13 34.12 1qgb s GLU 57 CO -0.06 -0.50 -0.77 -1.13 0.95 0.00 0.00 175.26 173.75 1qgb n SER 58 N -0.34 -4.98 -4.37 0.83 3.41 -1.26 -0.86 113.62 106.05 1qgb n SER 58 Ca -0.13 0.14 -0.42 0.00 -0.26 0.00 0.00 58.87 58.20 1qgb n SER 58 Cb 0.63 -0.63 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 1qgb n SER 58 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1qgb s LYS 59 N -1.73 2.83 -0.08 4.33 2.36 -1.00 -4.31 119.74 122.14 1qgb s LYS 59 Ca 0.34 -1.23 -0.30 0.00 -2.55 0.00 0.00 55.97 52.23 1qgb s LYS 59 Cb -0.13 -3.88 -0.02 0.00 -1.05 0.00 0.00 37.83 32.74 1qgb s LYS 59 CO 0.70 -0.85 1.16 -1.25 1.55 0.00 0.00 175.35 176.66 1qgb s PRO 60 N 1.56 4.35 -0.04 4.03 0.04 -1.26 -4.90 135.00 138.78 1qgb s PRO 60 Ca 0.03 1.60 0.09 0.00 0.04 0.00 0.00 61.00 62.76 1qgb s PRO 60 Cb -0.21 -3.58 -0.14 0.00 0.04 0.00 0.00 34.50 30.61 1qgb s PRO 60 CO 0.06 -0.45 0.14 -1.91 0.04 0.00 0.00 177.00 174.88 1qgb n GLU 61 N 5.35 1.15 -4.15 4.56 0.00 -1.26 -4.97 120.64 121.32 1qgb n GLU 61 Ca 0.11 -0.06 -0.24 0.00 0.00 0.00 0.00 57.16 56.97 1qgb n GLU 61 Cb 0.47 -1.23 -0.17 0.00 0.00 0.00 0.00 31.44 30.51 1qgb n GLU 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1qgb s ALA 62 N -2.50 1.04 -0.10 4.31 0.00 -1.26 -5.01 121.76 118.23 1qgb s ALA 62 Ca -0.04 -0.31 0.16 0.00 0.00 0.00 0.00 51.96 51.77 1qgb s ALA 62 Cb 0.05 -0.66 -0.17 0.00 0.00 0.00 0.00 23.12 22.34 1qgb s ALA 62 CO 0.39 -0.16 0.72 -1.91 0.00 0.00 0.00 175.76 174.80 1qgb n GLU 63 N 4.41 0.63 -1.80 0.00 2.13 -1.26 -5.07 120.64 119.67 1qgb n GLU 63 Ca -0.18 0.22 0.00 0.00 0.66 0.00 0.00 57.16 57.86 1qgb n GLU 63 Cb 0.51 -1.78 0.00 0.00 0.27 0.00 0.00 31.44 30.44 1qgb n GLU 63 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1qgb n GLU 64 N -2.91 -3.81 0.00 5.31 2.13 -1.26 -5.05 120.64 115.05 1qgb n GLU 64 Ca -0.13 2.88 0.00 0.00 0.66 0.00 0.00 57.16 60.57 1qgb n GLU 64 Cb 0.91 -3.29 0.00 0.00 0.27 0.00 0.00 31.44 29.34 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 1.32 0.00 -3.66 6.31 -2.24 -1.26 -4.80 114.28 109.95 1qgb n THR 65 Ca 0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 1qgb n THR 65 Cb 0.00 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 -0.29 0.00 -3.17 0.00 7.35 -1.25 -3.43 117.46 116.66 1qgb n PHE 67 Ca -0.02 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.58 1qgb n PHE 67 Cb 0.31 0.00 0.04 0.00 0.35 0.00 0.00 39.48 40.18 1qgb n PHE 67 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1qgb n ASP 68 N -1.80 -7.12 -3.81 -2.13 -0.08 -1.01 0.67 116.55 101.28 1qgb n ASP 68 Ca 0.00 -0.46 -0.19 0.00 -1.51 0.00 0.00 54.79 52.63 1qgb n ASP 68 Cb 0.26 -5.26 0.09 0.00 2.34 0.00 0.00 41.12 38.55 1qgb n ASP 68 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1qgb n LYS 69 N -2.65 -1.11 -1.35 -0.67 2.85 -1.26 -1.69 118.16 112.28 1qgb n LYS 69 Ca -0.04 -0.33 -0.12 0.00 -1.05 0.00 0.00 58.31 56.77 1qgb n LYS 69 Cb 0.57 -1.28 -0.05 0.00 -0.65 0.00 0.00 35.03 33.62 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 -3.85 0.00 0.00 5.58 4.01 -1.26 -4.22 117.16 117.42 1qgb n TYR 70 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1qgb n TYR 70 Cb 0.38 -2.42 0.00 0.00 -0.31 0.00 0.00 39.34 36.98 1qgb n TYR 70 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1qgb n THR 71 N -2.49 0.00 -2.36 -0.72 -2.24 -1.21 -5.03 114.28 100.22 1qgb n THR 71 Ca -0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1qgb n THR 71 Cb 0.47 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 1qgb n THR 71 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qgb n GLY 72 N -0.30 0.82 3.53 3.38 0.00 -0.68 -5.04 105.19 106.89 1qgb n GLY 72 Ca 0.00 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 1qgb n GLY 72 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qgb s ASN 73 N -3.00 5.98 -0.61 1.61 3.04 0.21 -4.94 114.94 117.24 1qgb s ASN 73 Ca 0.00 -0.37 -0.27 0.00 0.04 0.00 0.00 52.86 52.26 1qgb s ASN 73 Cb 0.00 -2.12 -0.02 0.00 -1.54 0.00 0.00 41.25 37.58 1qgb s ASN 73 CO 0.00 -0.20 1.81 -0.89 -3.04 0.00 0.00 177.10 174.78 1qgb s THR 74 N 1.71 3.39 0.34 -5.21 2.01 -1.23 -2.40 115.64 114.26 1qgb s THR 74 Ca 0.06 0.24 -0.00 0.00 0.31 0.00 0.00 61.69 62.30 1qgb s THR 74 Cb -0.17 -4.01 0.07 0.00 0.01 0.00 0.00 72.50 68.40 1qgb s THR 74 CO 0.10 -0.97 0.46 -1.22 -0.69 0.00 0.00 174.62 172.31 1qgb n TYR 75 N 12.36 -3.18 -4.26 4.92 4.02 -1.22 -4.77 117.16 125.02 1qgb n TYR 75 Ca 0.19 -0.81 -0.17 0.00 -0.01 0.00 0.00 57.90 57.10 1qgb n TYR 75 Cb 0.52 -0.34 -0.10 0.00 -0.02 0.00 0.00 39.34 39.39 1qgb n TYR 75 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1qgb s ARG 76 N -3.65 1.10 0.62 -0.72 1.81 -1.26 0.45 118.95 117.29 1qgb s ARG 76 Ca 0.31 -1.39 0.39 0.00 -1.72 0.00 0.00 55.73 53.32 1qgb s ARG 76 Cb -0.02 -0.84 2.00 0.00 -0.45 0.00 0.00 34.95 35.65 1qgb s ARG 76 CO 0.20 0.14 2.22 0.28 -0.68 0.00 0.00 175.30 177.47 1qgb h VAL 77 N 3.05 0.06 -0.56 3.52 2.07 -1.78 -2.32 116.25 120.30 1qgb h VAL 77 Ca -0.38 -0.21 -0.30 0.00 0.82 0.00 0.00 66.70 66.63 1qgb h VAL 77 Cb 1.20 1.19 -0.17 0.00 -1.52 0.00 0.00 31.29 31.99 1qgb h VAL 77 CO 0.58 0.01 0.38 0.61 0.02 0.00 0.00 177.57 179.17 1qgb n GLY 78 N -0.70 3.50 3.22 2.17 0.00 -1.26 -4.81 105.19 107.30 1qgb n GLY 78 Ca -0.02 -0.68 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.27 -0.19 0.35 1.61 -1.08 -0.88 -5.16 116.67 111.06 1qgb s ASP 79 Ca 0.32 0.14 0.05 0.00 -0.52 0.00 0.00 52.55 52.54 1qgb s ASP 79 Cb 0.27 0.35 -0.07 0.00 -1.46 0.00 0.00 42.92 42.01 1qgb s ASP 79 CO 0.05 -0.39 0.03 0.42 0.52 0.00 0.00 175.17 175.81 1qgb s THR 80 N -1.10 1.48 -0.29 1.71 -4.23 -1.26 -3.38 115.64 108.56 1qgb s THR 80 Ca -0.12 -2.01 -0.20 0.00 -1.18 0.00 0.00 61.69 58.18 1qgb s THR 80 Cb -0.05 -2.84 0.17 0.00 1.34 0.00 0.00 72.50 71.13 1qgb s THR 80 CO 0.03 -0.02 1.20 -0.72 -0.54 0.00 0.00 174.62 174.57 1qgb s TYR 81 N -3.09 -0.27 0.57 3.99 1.13 -0.86 -4.98 117.35 113.85 1qgb s TYR 81 Ca 0.36 0.58 -0.04 0.00 -1.41 0.00 0.00 57.07 56.55 1qgb s TYR 81 Cb 0.09 0.31 0.01 0.00 -1.10 0.00 0.00 41.96 41.27 1qgb s TYR 81 CO 0.16 -0.13 0.86 -1.21 -2.51 0.00 0.00 175.55 172.72 1qgb s GLU 82 N 0.65 2.87 -0.20 -3.49 8.01 -1.26 -2.22 118.70 123.07 1qgb s GLU 82 Ca -0.02 -0.15 -0.04 0.00 0.01 0.00 0.00 54.97 54.77 1qgb s GLU 82 Cb -0.04 -2.33 0.10 0.00 -4.31 0.00 0.00 34.13 27.56 1qgb s GLU 82 CO -0.12 -0.67 0.30 1.03 0.01 0.00 0.00 175.26 175.82 1qgb s ARG 83 N -4.92 0.25 -0.74 1.61 1.81 -1.09 -4.84 118.95 111.03 1qgb s ARG 83 Ca 0.54 0.52 -0.25 0.00 -1.72 0.00 0.00 55.73 54.81 1qgb s ARG 83 Cb -0.10 -0.55 -0.21 0.00 -0.45 0.00 0.00 34.95 33.63 1qgb s ARG 83 CO 0.43 -0.53 1.88 -0.35 -0.68 0.00 0.00 175.30 176.05 1qgb n PRO 84 N 5.35 0.95 -3.75 3.54 -0.04 -1.26 -3.95 135.00 135.84 1qgb n PRO 84 Ca -0.05 -1.78 -0.35 0.00 -0.04 0.00 0.00 63.50 61.27 1qgb n PRO 84 Cb 0.50 -3.18 -0.08 0.00 -0.04 0.00 0.00 33.50 30.69 1qgb n PRO 84 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1qgb s LYS 85 N 6.40 4.11 1.17 0.54 -0.14 -1.19 -4.97 119.74 125.65 1qgb s LYS 85 Ca 0.67 -0.21 0.00 0.00 -1.36 0.00 0.00 55.97 55.06 1qgb s LYS 85 Cb 0.08 -3.39 0.00 0.00 -1.68 0.00 0.00 37.83 32.84 1qgb s LYS 85 CO 0.19 0.35 0.00 -3.47 -0.76 0.00 0.00 175.35 171.66 1qgb n ASP 86 N 3.36 -6.07 -3.05 2.83 -0.08 -1.26 -3.42 116.55 108.86 1qgb n ASP 86 Ca -0.16 0.52 -0.22 0.00 -1.51 0.00 0.00 54.79 53.42 1qgb n ASP 86 Cb 0.52 -1.50 -0.03 0.00 2.34 0.00 0.00 41.12 42.45 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 -3.60 5.17 0.00 1.67 7.64 -1.26 -4.71 113.62 118.53 1qgb n SER 87 Ca 0.00 -2.32 0.00 0.00 1.01 0.00 0.00 58.87 57.56 1qgb n SER 87 Cb 0.22 -1.12 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 1qgb n SER 87 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1qgb n MET 88 N 3.91 0.00 -4.59 1.43 0.00 -1.22 -5.17 117.12 111.48 1qgb n MET 88 Ca 0.46 0.00 -0.26 0.00 0.00 0.00 0.00 57.70 57.90 1qgb n MET 88 Cb 0.20 0.00 -0.14 0.00 0.00 0.00 0.00 33.22 33.29 1qgb n MET 88 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 1qgb s ILE 89 N -2.00 1.77 -0.01 1.12 1.09 -1.26 -3.19 121.20 118.72 1qgb s ILE 89 Ca 0.00 -1.33 0.01 0.00 -1.10 0.00 0.00 60.65 58.23 1qgb s ILE 89 Cb 0.00 -1.56 -0.00 0.00 -1.06 0.00 0.00 42.46 39.84 1qgb s ILE 89 CO 0.00 0.16 -0.04 0.26 -0.10 0.00 0.00 174.94 175.23 1qgb s TRP 90 N -0.89 0.34 -1.41 3.97 0.52 -1.25 -3.93 118.94 116.29 1qgb s TRP 90 Ca 0.08 -0.06 -0.11 0.00 0.02 0.00 0.00 56.10 56.03 1qgb s TRP 90 Cb -0.09 -0.24 -0.05 0.00 -1.15 0.00 0.00 33.47 31.93 1qgb s TRP 90 CO 0.03 -0.02 2.56 -0.25 0.02 0.00 0.00 176.95 179.29 1qgb n ASP 91 N 3.08 6.43 -4.43 2.95 9.92 -1.02 -2.65 116.55 130.82 1qgb n ASP 91 Ca -0.14 -2.61 -0.57 0.00 -0.53 0.00 0.00 54.79 50.94 1qgb n ASP 91 Cb 0.58 -1.48 -0.09 0.00 -0.64 0.00 0.00 41.12 39.49 1qgb n ASP 91 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1qgb s THR 93 N 5.77 5.24 -1.20 0.00 2.01 0.69 -2.02 115.64 126.13 1qgb s THR 93 Ca 1.12 0.33 -0.21 0.00 0.31 0.00 0.00 61.69 63.24 1qgb s THR 93 Cb -1.22 -3.58 -0.01 0.00 0.01 0.00 0.00 72.50 67.69 1qgb s THR 93 CO 0.62 0.41 1.82 0.00 -0.69 0.00 0.00 174.62 176.78 1qgb s ILE 95 N 7.82 5.20 0.00 0.00 1.01 -1.26 -4.20 121.20 129.77 1qgb s ILE 95 Ca 0.61 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 61.06 1qgb s ILE 95 Cb 0.01 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 39.09 1qgb s ILE 95 CO 0.09 0.37 0.00 0.61 0.00 0.00 0.00 174.94 176.01 1qgb n GLY 96 N 1.16 3.19 2.17 6.18 0.00 -1.26 -3.43 105.19 113.20 1qgb n GLY 96 Ca -0.13 -1.67 -0.21 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.12 5.81 0.00 4.61 0.00 -1.26 -4.10 120.51 125.45 1qgb n ALA 97 Ca 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 53.44 51.15 1qgb n ALA 97 Cb 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 19.45 17.66 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 0.76 0.37 0.00 0.00 0.00 -1.18 -4.74 105.19 100.40 1qgb n GLY 98 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 0.00 1.61 0.63 -1.26 -4.33 116.66 113.31 1qgb n ARG 99 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1qgb n ARG 99 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1qgb n ARG 99 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1qgb n GLY 100 N 0.00 0.47 0.90 5.14 0.00 -1.25 -2.99 105.19 107.47 1qgb n GLY 100 Ca 0.00 0.12 -0.00 0.00 0.00 0.00 0.00 46.02 46.13 1qgb n GLY 100 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1qgb n ARG 101 N 0.00 0.02 -1.68 1.61 0.00 -1.22 -4.99 116.66 110.40 1qgb n ARG 101 Ca 0.00 -0.05 -0.01 0.00 -0.00 0.00 0.00 57.85 57.79 1qgb n ARG 101 Cb 0.00 0.32 0.00 0.00 -0.00 0.00 0.00 32.46 32.79 1qgb n ARG 101 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1qgb n ILE 102 N -0.03 -0.91 -1.64 8.89 5.41 -1.16 -4.77 119.36 125.15 1qgb n ILE 102 Ca -0.01 0.20 -0.38 0.00 1.00 0.00 0.00 62.75 63.56 1qgb n ILE 102 Cb 0.36 -1.30 0.05 0.00 -0.71 0.00 0.00 39.64 38.04 1qgb n ILE 102 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1qgb n SER 103 N 1.34 1.17 -3.64 4.38 2.88 -0.21 -4.68 113.62 114.86 1qgb n SER 103 Ca -0.00 0.86 -0.15 0.00 -1.33 0.00 0.00 58.87 58.25 1qgb n SER 103 Cb 0.22 -1.42 -0.08 0.00 -0.75 0.00 0.00 64.21 62.18 1qgb n SER 103 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qgb s THR 105 N -0.11 0.00 0.36 0.00 -1.32 -1.26 -4.95 115.64 108.36 1qgb s THR 105 Ca -0.03 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.19 1qgb s THR 105 Cb -0.03 -1.00 -0.12 0.00 -1.51 0.00 0.00 72.50 69.83 1qgb s THR 105 CO 0.03 0.00 0.98 -0.38 -2.21 0.00 0.00 174.62 173.04 1qgb n ILE 106 N 3.43 2.17 -0.66 5.08 5.41 -1.26 -2.42 119.36 131.10 1qgb n ILE 106 Ca -0.17 -0.50 -0.28 0.00 1.00 0.00 0.00 62.75 62.80 1qgb n ILE 106 Cb 0.57 -1.06 0.24 0.00 -0.71 0.00 0.00 39.64 38.69 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 -1.19 -0.32 -0.71 -1.39 0.00 -1.25 -4.87 121.76 112.03 1qgb s ALA 107 Ca 0.61 -0.24 -0.17 0.00 0.00 0.00 0.00 51.96 52.16 1qgb s ALA 107 Cb -0.62 -3.20 0.15 0.00 0.00 0.00 0.00 23.12 19.45 1qgb s ALA 107 CO 0.59 -3.75 0.74 1.21 0.00 0.00 0.00 175.76 174.55 1qgb s ASN 108 N -2.72 6.45 0.00 0.00 3.84 -1.26 -5.11 114.94 116.13 1qgb s ASN 108 Ca 0.68 -2.02 0.00 0.00 0.21 0.00 0.00 52.86 51.73 1qgb s ASN 108 Cb -0.23 -2.27 0.00 0.00 -0.55 0.00 0.00 41.25 38.20 1qgb s ASN 108 CO 0.63 -0.87 0.00 -1.14 -2.79 0.00 0.00 177.10 172.93