#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 -2.75 -2.52 1.43 4.81 -1.26 -4.37 118.16 113.50 1qgb n LYS 18 Ca 0.00 2.34 -0.41 0.00 -0.87 0.00 0.00 58.31 59.38 1qgb n LYS 18 Cb 0.00 -5.53 -0.02 0.00 0.02 0.00 0.00 35.03 29.50 1qgb n LYS 18 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1qgb s PRO 19 N -2.24 3.69 0.00 1.64 0.04 -1.26 -4.52 135.00 132.35 1qgb s PRO 19 Ca 0.16 -1.54 0.00 0.00 0.04 0.00 0.00 61.00 59.66 1qgb s PRO 19 Cb -0.04 -5.43 0.00 0.00 0.04 0.00 0.00 34.50 29.06 1qgb s PRO 19 CO 0.77 -2.38 0.00 0.41 0.04 0.00 0.00 177.00 175.83 1qgb n GLY 20 N 6.07 -0.67 3.79 0.56 0.00 -1.26 -4.77 105.19 108.91 1qgb n GLY 20 Ca 0.42 -0.71 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.44 -1.05 0.06 0.00 5.04 -1.26 -4.16 117.35 113.53 1qgb s TYR 22 Ca 0.16 2.00 -0.26 0.00 -2.44 0.00 0.00 57.07 56.53 1qgb s TYR 22 Cb -0.05 0.63 0.09 0.00 0.35 0.00 0.00 41.96 42.98 1qgb s TYR 22 CO 0.12 -0.52 0.76 0.34 -1.34 0.00 0.00 175.55 174.90 1qgb s ASP 23 N 1.99 -0.47 -0.79 4.32 -1.08 -0.54 -4.94 116.67 115.17 1qgb s ASP 23 Ca -0.08 0.05 -0.04 0.00 -0.52 0.00 0.00 52.55 51.95 1qgb s ASP 23 Cb -0.07 0.48 0.03 0.00 -1.46 0.00 0.00 42.92 41.91 1qgb s ASP 23 CO -0.19 -0.76 0.15 -3.20 0.52 0.00 0.00 175.17 171.69 1qgb n ASN 24 N -0.22 -2.68 -1.21 -0.34 4.05 -1.26 0.15 115.26 113.75 1qgb n ASN 24 Ca -0.13 0.07 -0.15 0.00 0.45 0.00 0.00 54.58 54.82 1qgb n ASN 24 Cb 0.63 -2.31 -0.06 0.00 1.23 0.00 0.00 39.78 39.27 1qgb n ASN 24 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1qgb n GLY 25 N -0.80 1.30 3.30 8.20 0.00 -1.26 -4.99 105.19 110.94 1qgb n GLY 25 Ca -0.05 -0.31 -0.23 0.00 0.00 0.00 0.00 46.02 45.43 1qgb n GLY 25 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qgb s LYS 26 N -3.46 1.18 -0.44 1.61 2.47 0.40 -5.11 119.74 116.40 1qgb s LYS 26 Ca 0.00 -1.26 0.01 0.00 -1.56 0.00 0.00 55.97 53.16 1qgb s LYS 26 Cb 0.00 -1.34 0.12 0.00 -1.46 0.00 0.00 37.83 35.14 1qgb s LYS 26 CO 0.00 0.29 0.19 -1.58 0.16 0.00 0.00 175.35 174.41 1qgb s HIS 27 N -1.56 3.54 0.00 4.03 2.46 -1.26 -1.46 115.29 121.04 1qgb s HIS 27 Ca 0.10 -2.86 0.00 0.00 0.47 0.00 0.00 55.06 52.77 1qgb s HIS 27 Cb -0.08 -3.02 0.00 0.00 -0.13 0.00 0.00 32.58 29.35 1qgb s HIS 27 CO 0.05 -0.89 0.00 0.66 -2.47 0.00 0.00 174.74 172.09 1qgb n TYR 28 N 3.97 -0.88 -4.35 3.88 4.02 -1.26 -5.01 117.16 117.53 1qgb n TYR 28 Ca 0.03 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.71 1qgb n TYR 28 Cb 0.39 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.60 1qgb n TYR 28 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1qgb s GLN 29 N 0.33 1.33 0.61 -0.72 -0.21 -1.26 -4.23 119.66 115.51 1qgb s GLN 29 Ca 0.00 -1.48 -0.18 0.00 0.02 0.00 0.00 55.36 53.72 1qgb s GLN 29 Cb 0.00 -1.33 -0.06 0.00 1.00 0.00 0.00 33.01 32.62 1qgb s GLN 29 CO 0.00 0.26 0.71 -0.89 -2.12 0.00 0.00 175.29 173.25 1qgb n ILE 30 N 0.06 2.86 -1.18 1.08 -0.00 -1.26 -1.32 119.36 119.60 1qgb n ILE 30 Ca -0.11 -0.49 -0.06 0.00 -0.00 0.00 0.00 62.75 62.09 1qgb n ILE 30 Cb 0.58 -0.89 -0.03 0.00 -0.00 0.00 0.00 39.64 39.31 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 -0.20 -5.13 -4.89 4.38 3.02 0.73 -4.95 115.26 108.22 1qgb n ASN 31 Ca 0.13 0.15 -0.34 0.00 -0.03 0.00 0.00 54.58 54.49 1qgb n ASN 31 Cb 0.48 -3.18 -0.05 0.00 -0.61 0.00 0.00 39.78 36.42 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 -2.23 3.52 0.03 3.52 0.74 -0.43 -4.85 119.66 119.95 1qgb s GLN 32 Ca 0.00 -0.19 0.08 0.00 0.05 0.00 0.00 55.36 55.30 1qgb s GLN 32 Cb 0.00 -3.08 -0.03 0.00 1.10 0.00 0.00 33.01 31.01 1qgb s GLN 32 CO 0.00 0.65 -0.22 -0.65 -0.55 0.00 0.00 175.29 174.52 1qgb s GLN 33 N -1.88 2.01 0.07 1.67 -0.21 -1.26 -0.60 119.66 119.45 1qgb s GLN 33 Ca 0.28 -1.00 0.01 0.00 0.02 0.00 0.00 55.36 54.67 1qgb s GLN 33 Cb -0.13 -2.10 -0.00 0.00 1.00 0.00 0.00 33.01 31.78 1qgb s GLN 33 CO 0.18 0.54 0.08 -2.67 -2.12 0.00 0.00 175.29 171.30 1qgb n TRP 34 N 1.82 -0.40 -4.96 0.91 2.14 -0.97 -5.02 117.44 110.97 1qgb n TRP 34 Ca -0.17 -0.55 -0.32 0.00 2.07 0.00 0.00 57.50 58.53 1qgb n TRP 34 Cb 0.52 0.09 -0.15 0.00 -0.81 0.00 0.00 31.31 30.96 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 -2.23 2.99 0.25 -2.67 -6.30 -1.26 -2.15 118.70 107.33 1qgb s GLU 35 Ca 0.07 -0.76 0.01 0.00 -2.50 0.00 0.00 54.97 51.80 1qgb s GLU 35 Cb 0.00 -2.44 -0.04 0.00 0.00 0.00 0.00 34.13 31.65 1qgb s GLU 35 CO 0.05 0.33 0.12 0.50 0.02 0.00 0.00 175.26 176.29 1qgb s ARG 36 N 0.02 1.40 0.01 4.30 3.00 0.46 -4.90 118.95 123.24 1qgb s ARG 36 Ca -0.06 -1.77 0.02 0.00 -1.00 0.00 0.00 55.73 52.93 1qgb s ARG 36 Cb -0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 34.95 34.73 1qgb s ARG 36 CO 0.05 -0.37 -0.08 0.99 0.00 0.00 0.00 175.30 175.90 1qgb s THR 37 N -3.83 0.58 -0.24 4.11 2.01 -1.26 0.92 115.64 117.94 1qgb s THR 37 Ca 0.38 -0.53 -0.08 0.00 0.31 0.00 0.00 61.69 61.76 1qgb s THR 37 Cb 0.07 -0.53 0.10 0.00 0.01 0.00 0.00 72.50 72.15 1qgb s THR 37 CO 0.14 0.01 0.51 -0.47 -0.69 0.00 0.00 174.62 174.13 1qgb s TYR 38 N -0.50 -1.00 0.00 4.92 6.14 -1.16 -4.89 117.35 120.87 1qgb s TYR 38 Ca -0.00 1.83 0.00 0.00 0.64 0.00 0.00 57.07 59.54 1qgb s TYR 38 Cb -0.05 0.50 0.00 0.00 0.42 0.00 0.00 41.96 42.83 1qgb s TYR 38 CO 0.00 -0.55 0.00 -0.11 0.64 0.00 0.00 175.55 175.53 1qgb n LEU 39 N 5.36 -0.25 -2.12 6.97 7.94 -1.26 -3.63 117.00 130.01 1qgb n LEU 39 Ca -0.10 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.66 1qgb n LEU 39 Cb 0.50 -0.48 0.04 0.00 0.53 0.00 0.00 43.42 44.00 1qgb n LEU 39 CO -0.01 0.00 0.08 0.61 -1.11 0.00 0.00 177.39 176.95 1qgb n GLY 40 N -2.44 0.02 3.15 -3.96 0.00 -1.26 -5.03 105.19 95.67 1qgb n GLY 40 Ca 0.00 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.02 -0.34 0.55 1.61 0.01 -1.24 -5.14 114.94 107.37 1qgb s ASN 41 Ca 0.27 0.64 -0.14 0.00 -0.71 0.00 0.00 52.86 52.92 1qgb s ASN 41 Cb -0.12 0.56 -0.12 0.00 0.41 0.00 0.00 41.25 41.99 1qgb s ASN 41 CO 0.33 -0.15 -0.31 0.00 -1.51 0.00 0.00 177.10 175.46 1qgb n ALA 42 N 3.80 -3.57 -3.57 0.60 0.00 -1.26 -2.98 120.51 113.53 1qgb n ALA 42 Ca -0.21 -0.23 -0.15 0.00 0.00 0.00 0.00 53.44 52.85 1qgb n ALA 42 Cb 0.55 -1.02 -0.06 0.00 0.00 0.00 0.00 19.45 18.92 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 -0.64 -0.04 0.00 2.96 0.26 -4.55 118.68 121.51 1qgb s LEU 43 Ca 0.39 0.93 0.06 0.00 -0.22 0.00 0.00 54.13 55.30 1qgb s LEU 43 Cb -0.29 2.40 -0.01 0.00 0.50 0.00 0.00 46.19 48.78 1qgb s LEU 43 CO 0.57 -0.43 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.25 1qgb s VAL 44 N -0.57 1.89 0.29 1.68 1.01 0.28 0.17 120.40 125.14 1qgb s VAL 44 Ca -0.05 -0.99 0.10 0.00 0.00 0.00 0.00 61.98 61.04 1qgb s VAL 44 Cb -0.02 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 1qgb s VAL 44 CO 0.05 0.53 -0.07 0.00 0.00 0.00 0.00 175.10 175.61 1qgb s THR 46 N -2.45 -0.10 0.08 0.00 2.01 -1.10 -2.29 115.64 111.79 1qgb s THR 46 Ca 0.32 0.21 -0.22 0.00 0.31 0.00 0.00 61.69 62.31 1qgb s THR 46 Cb -0.04 -0.29 -0.07 0.00 0.01 0.00 0.00 72.50 72.11 1qgb s THR 46 CO 0.18 0.09 0.65 0.00 -0.69 0.00 0.00 174.62 174.85 1qgb n TYR 48 N 1.96 0.00 -4.76 0.00 4.02 0.85 -0.20 117.16 119.03 1qgb n TYR 48 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 1qgb n TYR 48 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.82 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 2.88 -0.53 2.57 2.72 0.00 -1.18 -4.59 105.19 107.05 1qgb n GLY 49 Ca 0.00 -1.03 -0.19 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.50 2.42 -0.02 0.00 -1.26 -0.10 105.19 105.73 1qgb n GLY 50 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1qgb n GLY 50 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qgb n SER 51 N -2.05 0.00 -0.06 1.61 7.64 -1.26 -4.85 113.62 114.65 1qgb n SER 51 Ca -0.18 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.58 1qgb n SER 51 Cb 0.64 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.78 1qgb n SER 51 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1qgb h ARG 52 N 2.39 0.33 0.00 1.43 3.08 -0.82 -3.49 114.38 117.29 1qgb h ARG 52 Ca 0.00 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1qgb h ARG 52 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1qgb h ARG 52 CO 0.00 0.62 0.00 0.41 -1.07 0.00 0.00 179.97 179.93 1qgb n GLY 53 N -0.07 0.69 3.12 0.04 0.00 -1.24 -4.87 105.19 102.85 1qgb n GLY 53 Ca -0.05 -1.39 -0.09 0.00 0.00 0.00 0.00 46.02 44.49 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 0.00 0.28 -0.08 1.61 -0.12 -1.26 -0.11 117.98 118.30 1qgb s PHE 54 Ca 0.00 -0.67 0.00 0.00 -0.05 0.00 0.00 56.93 56.22 1qgb s PHE 54 Cb 0.00 -0.19 0.02 0.00 -0.63 0.00 0.00 43.02 42.22 1qgb s PHE 54 CO 0.00 -0.40 -0.07 -0.80 -0.05 0.00 0.00 175.22 173.91 1qgb s ASN 55 N -2.45 1.67 0.30 1.98 0.01 -1.05 -4.92 114.94 110.47 1qgb s ASN 55 Ca -0.00 -0.22 0.06 0.00 -0.71 0.00 0.00 52.86 51.99 1qgb s ASN 55 Cb 0.02 -0.67 -0.02 0.00 0.41 0.00 0.00 41.25 40.99 1qgb s ASN 55 CO -0.07 -0.08 0.41 0.00 -1.51 0.00 0.00 177.10 175.85 1qgb n GLU 57 N -1.53 0.22 -0.75 0.00 0.28 -0.05 -4.93 120.64 113.88 1qgb n GLU 57 Ca -0.04 -0.71 -0.30 0.00 -0.16 0.00 0.00 57.16 55.95 1qgb n GLU 57 Cb 0.58 1.11 0.27 0.00 1.43 0.00 0.00 31.44 34.82 1qgb n GLU 57 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1qgb s SER 58 N -3.11 -0.08 0.60 -1.84 0.01 -1.26 0.98 113.70 108.99 1qgb s SER 58 Ca 0.22 0.71 -0.13 0.00 1.31 0.00 0.00 55.95 58.05 1qgb s SER 58 Cb -0.01 -0.98 -0.04 0.00 0.21 0.00 0.00 66.02 65.20 1qgb s SER 58 CO 0.01 -4.75 1.03 -0.54 0.41 0.00 0.00 173.24 169.39 1qgb s LYS 59 N -5.28 3.55 0.05 12.44 -0.14 -1.26 -4.15 119.74 124.95 1qgb s LYS 59 Ca 0.70 0.93 -0.14 0.00 -1.36 0.00 0.00 55.97 56.10 1qgb s LYS 59 Cb -0.11 -2.07 -0.05 0.00 -1.68 0.00 0.00 37.83 33.91 1qgb s LYS 59 CO 0.57 -0.61 1.22 -1.35 -0.76 0.00 0.00 175.35 174.42 1qgb h PRO 60 N 0.13 -0.24 0.00 -1.68 0.11 -2.00 -3.47 132.00 124.84 1qgb h PRO 60 Ca -0.45 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1qgb h PRO 60 Cb 1.20 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1qgb h PRO 60 CO 0.60 -0.16 0.00 -1.91 -0.21 0.00 0.00 178.00 176.32 1qgb n GLU 61 N -3.71 0.00 -3.11 1.05 4.07 -1.26 -5.12 120.64 112.57 1qgb n GLU 61 Ca -0.03 0.00 -0.40 0.00 -0.06 0.00 0.00 57.16 56.67 1qgb n GLU 61 Cb 0.16 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.48 1qgb n GLU 61 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1qgb s ALA 62 N 0.00 3.57 0.04 4.31 0.00 -1.26 -4.92 121.76 123.51 1qgb s ALA 62 Ca 0.00 -0.33 0.23 0.00 0.00 0.00 0.00 51.96 51.86 1qgb s ALA 62 Cb 0.00 -3.01 1.26 0.00 0.00 0.00 0.00 23.12 21.38 1qgb s ALA 62 CO 0.00 -0.67 1.69 1.49 0.00 0.00 0.00 175.76 178.27 1qgb h GLU 63 N 7.65 0.00 -6.33 0.00 4.81 -2.00 -3.41 114.58 115.30 1qgb h GLU 63 Ca -0.29 0.00 -0.54 0.00 -0.13 0.00 0.00 59.36 58.40 1qgb h GLU 63 Cb 1.13 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.52 1qgb h GLU 63 CO 0.78 0.00 1.13 -1.21 -0.73 0.00 0.00 179.01 178.97 1qgb s GLU 64 N -3.62 4.17 0.00 1.92 2.02 -1.26 -4.53 118.70 117.40 1qgb s GLU 64 Ca -0.03 2.36 0.00 0.00 0.02 0.00 0.00 54.97 57.33 1qgb s GLU 64 Cb 0.07 -3.98 0.00 0.00 0.10 0.00 0.00 34.13 30.32 1qgb s GLU 64 CO 0.21 -0.87 0.00 0.25 0.02 0.00 0.00 175.26 174.87 1qgb n THR 65 N 5.38 0.00 -3.58 3.63 -2.24 -1.26 -4.88 114.28 111.32 1qgb n THR 65 Ca 0.18 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.98 1qgb n THR 65 Cb 0.42 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.64 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 -0.46 0.00 -2.03 0.00 7.35 -1.26 -4.00 117.46 117.06 1qgb n PHE 67 Ca -0.08 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.59 1qgb n PHE 67 Cb 0.63 -0.02 0.00 0.00 0.35 0.00 0.00 39.48 40.44 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 -3.17 -4.47 -3.02 -2.13 2.03 -1.26 -0.42 116.55 104.12 1qgb n ASP 68 Ca -0.01 0.37 -0.02 0.00 0.52 0.00 0.00 54.79 55.66 1qgb n ASP 68 Cb 0.36 -2.80 0.02 0.00 -0.72 0.00 0.00 41.12 37.98 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 -0.13 -1.67 -0.45 -0.67 0.00 -1.26 -1.25 118.16 112.73 1qgb n LYS 69 Ca 0.03 -0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 1qgb n LYS 69 Cb 0.11 -0.11 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1qgb n LYS 69 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1qgb n TYR 70 N -3.04 0.00 0.00 5.58 4.01 -1.26 -3.97 117.16 118.48 1qgb n TYR 70 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1qgb n TYR 70 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 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 -2.00 0.00 -0.18 -0.72 5.66 -1.26 -5.05 114.28 110.74 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 0.00 0.60 2.85 1.09 0.00 -0.92 -5.07 105.19 103.73 1qgb n GLY 72 Ca 0.00 -0.62 -0.28 0.00 0.00 0.00 0.00 46.02 45.12 1qgb n GLY 72 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qgb s ASN 73 N -0.84 4.48 -0.35 1.61 -0.87 0.44 -4.98 114.94 114.44 1qgb s ASN 73 Ca 0.00 -3.78 -0.36 0.00 -1.57 0.00 0.00 52.86 47.15 1qgb s ASN 73 Cb 0.00 -1.51 -0.12 0.00 -0.02 0.00 0.00 41.25 39.60 1qgb s ASN 73 CO 0.00 -0.09 2.17 0.41 -2.57 0.00 0.00 177.10 177.02 1qgb n THR 74 N 2.05 0.19 -3.99 1.60 -1.04 -0.01 -4.13 114.28 108.95 1qgb n THR 74 Ca 0.21 -0.24 -0.22 0.00 -2.04 0.00 0.00 64.05 61.75 1qgb n THR 74 Cb 0.36 -1.60 -0.05 0.00 -1.82 0.00 0.00 70.33 67.23 1qgb n THR 74 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1qgb s TYR 75 N 7.14 2.84 -0.28 -1.42 2.02 -1.26 -4.93 117.35 121.47 1qgb s TYR 75 Ca 1.09 -0.30 -0.29 0.00 -0.37 0.00 0.00 57.07 57.20 1qgb s TYR 75 Cb -0.88 -1.65 0.01 0.00 -0.40 0.00 0.00 41.96 39.04 1qgb s TYR 75 CO 0.50 0.32 1.12 1.03 -1.57 0.00 0.00 175.55 176.95 1qgb s ARG 76 N -3.90 4.10 0.63 -0.62 0.52 -1.26 -3.11 118.95 115.32 1qgb s ARG 76 Ca 0.38 1.23 0.23 0.00 -0.52 0.00 0.00 55.73 57.05 1qgb s ARG 76 Cb -0.05 -3.74 1.12 0.00 0.52 0.00 0.00 34.95 32.80 1qgb s ARG 76 CO 0.24 -0.86 1.61 -0.24 0.02 0.00 0.00 175.30 176.08 1qgb h VAL 77 N 5.68 0.11 -0.55 3.52 3.04 -1.71 1.60 116.25 127.94 1qgb h VAL 77 Ca -0.22 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.47 1qgb h VAL 77 Cb 1.07 0.39 0.00 0.00 -2.01 0.00 0.00 31.29 30.74 1qgb h VAL 77 CO 1.02 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 178.19 1qgb n GLY 78 N -1.45 1.79 3.12 3.17 0.00 -1.26 -4.68 105.19 105.87 1qgb n GLY 78 Ca 0.06 -0.62 -0.11 0.00 0.00 0.00 0.00 46.02 45.35 1qgb n GLY 78 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qgb s ASP 79 N -0.94 0.05 0.00 1.61 1.01 0.54 -5.14 116.67 113.81 1qgb s ASP 79 Ca 0.38 -0.27 0.00 0.00 0.71 0.00 0.00 52.55 53.37 1qgb s ASP 79 Cb 0.21 0.22 0.00 0.00 1.01 0.00 0.00 42.92 44.36 1qgb s ASP 79 CO 0.24 -0.41 0.00 0.35 0.21 0.00 0.00 175.17 175.56 1qgb n THR 80 N 1.27 0.00 0.00 -1.27 -2.24 -1.26 -3.94 114.28 106.85 1qgb n THR 80 Ca -0.22 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1qgb n THR 80 Cb 0.56 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 1qgb n THR 80 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qgb n TYR 81 N 0.00 0.00 0.00 4.78 4.11 -1.18 -4.89 117.16 119.98 1qgb n TYR 81 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1qgb n TYR 81 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 1qgb n TYR 81 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.86 174.95 1qgb n GLU 82 N -0.56 0.00 0.00 -3.48 2.13 -1.18 -4.97 120.64 112.58 1qgb n GLU 82 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1qgb n GLU 82 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1qgb n GLU 82 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1qgb n ARG 83 N -0.47 0.00 -1.25 5.31 1.74 -1.10 -4.78 116.66 116.12 1qgb n ARG 83 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 1qgb n ARG 83 Cb 0.00 0.00 0.15 0.00 -1.02 0.00 0.00 32.46 31.59 1qgb n ARG 83 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1qgb s PRO 84 N 0.00 0.91 -0.19 5.56 0.04 -1.26 -3.63 135.00 136.43 1qgb s PRO 84 Ca 0.00 0.61 -0.30 0.00 0.04 0.00 0.00 61.00 61.35 1qgb s PRO 84 Cb 0.00 -1.79 0.15 0.00 0.04 0.00 0.00 34.50 32.90 1qgb s PRO 84 CO 0.00 -2.43 1.10 0.15 0.04 0.00 0.00 177.00 175.87 1qgb s LYS 85 N -5.00 0.44 0.85 4.56 1.02 -0.90 -4.92 119.74 115.78 1qgb s LYS 85 Ca 0.64 0.09 0.00 0.00 0.02 0.00 0.00 55.97 56.72 1qgb s LYS 85 Cb -0.18 0.21 0.00 0.00 -0.52 0.00 0.00 37.83 37.34 1qgb s LYS 85 CO 0.57 -0.14 0.00 -0.25 -0.92 0.00 0.00 175.35 174.61 1qgb n ASP 86 N 0.63 0.00 -0.66 2.83 8.00 -1.26 -0.96 116.55 125.13 1qgb n ASP 86 Ca -0.07 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.41 1qgb n ASP 86 Cb 0.58 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.66 1qgb n ASP 86 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1qgb n SER 87 N 1.77 -0.31 -3.77 -2.24 7.64 -1.26 -5.13 113.62 110.32 1qgb n SER 87 Ca 0.00 -1.33 -0.13 0.00 1.01 0.00 0.00 58.87 58.42 1qgb n SER 87 Cb 0.00 0.09 -0.10 0.00 -1.01 0.00 0.00 64.21 63.19 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 0.54 -0.04 1.43 1.75 -0.13 -5.15 119.30 117.69 1qgb s MET 88 Ca 0.00 0.04 -0.18 0.00 -1.25 0.00 0.00 55.69 54.29 1qgb s MET 88 Cb 0.00 0.24 -0.05 0.00 2.84 0.00 0.00 34.83 37.86 1qgb s MET 88 CO -0.00 -0.12 0.51 0.42 -0.65 0.00 0.00 175.02 175.18 1qgb s ILE 89 N -0.75 5.02 0.04 10.11 1.01 -1.26 -2.13 121.20 133.24 1qgb s ILE 89 Ca -0.08 1.06 0.07 0.00 0.00 0.00 0.00 60.65 61.69 1qgb s ILE 89 Cb -0.04 -3.84 -0.02 0.00 0.01 0.00 0.00 42.46 38.56 1qgb s ILE 89 CO 0.03 0.42 -0.20 0.26 0.00 0.00 0.00 174.94 175.45 1qgb s TRP 90 N -0.12 1.72 -1.50 3.97 0.52 -1.24 -4.53 118.94 117.76 1qgb s TRP 90 Ca 0.28 -0.37 -0.13 0.00 0.02 0.00 0.00 56.10 55.90 1qgb s TRP 90 Cb -0.17 -1.03 0.01 0.00 -1.15 0.00 0.00 33.47 31.13 1qgb s TRP 90 CO 0.14 0.07 2.40 -0.25 0.02 0.00 0.00 176.95 179.33 1qgb n ASP 91 N 1.92 5.01 -4.67 2.95 8.00 0.15 -2.70 116.55 127.22 1qgb n ASP 91 Ca -0.17 -2.78 -0.47 0.00 0.71 0.00 0.00 54.79 52.08 1qgb n ASP 91 Cb 0.53 -1.64 -0.04 0.00 -0.02 0.00 0.00 41.12 39.95 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 2.63 2.46 -0.83 0.00 2.01 0.31 -3.12 115.64 119.09 1qgb s THR 93 Ca 0.86 -1.25 -0.21 0.00 0.31 0.00 0.00 61.69 61.40 1qgb s THR 93 Cb -0.69 -2.29 -0.19 0.00 0.01 0.00 0.00 72.50 69.34 1qgb s THR 93 CO 0.45 0.17 2.22 0.00 -0.69 0.00 0.00 174.62 176.77 1qgb s ILE 95 N 11.22 2.84 0.00 0.00 1.01 -1.26 -4.07 121.20 130.94 1qgb s ILE 95 Ca 0.93 -2.67 0.00 0.00 0.00 0.00 0.00 60.65 58.91 1qgb s ILE 95 Cb -0.26 -2.97 0.00 0.00 0.01 0.00 0.00 42.46 39.24 1qgb s ILE 95 CO 0.20 -0.72 0.00 0.61 0.00 0.00 0.00 174.94 175.02 1qgb n GLY 96 N 3.87 0.58 3.29 6.18 0.00 -1.26 -1.42 105.19 116.43 1qgb n GLY 96 Ca 0.04 0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.00 -1.21 0.00 4.61 0.00 -1.26 -3.91 120.51 115.75 1qgb n ALA 97 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1qgb n ALA 97 Cb 0.00 -4.55 0.00 0.00 0.00 0.00 0.00 19.45 14.90 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 -1.73 1.35 0.00 0.00 0.00 -1.26 -4.93 105.19 98.61 1qgb n GLY 98 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 3.05 -3.39 1.61 0.63 -1.25 -5.06 116.66 112.25 1qgb n ARG 99 Ca 0.00 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.76 1qgb n ARG 99 Cb 0.00 -0.96 0.09 0.00 0.45 0.00 0.00 32.46 32.04 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 2.89 -0.40 2.76 5.14 0.00 -1.26 -4.92 105.19 109.40 1qgb n GLY 100 Ca 0.00 0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 -4.01 4.01 -1.37 1.61 1.85 -0.51 -4.89 116.66 113.35 1qgb n ARG 101 Ca -0.27 -3.97 -0.54 0.00 -1.00 0.00 0.00 57.85 52.07 1qgb n ARG 101 Cb 0.66 -2.37 -0.07 0.00 -1.05 0.00 0.00 32.46 29.63 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 -0.17 0.00 -3.70 8.89 2.08 -1.17 -4.64 119.36 120.65 1qgb n ILE 102 Ca 0.51 0.00 -0.35 0.00 0.56 0.00 0.00 62.75 63.47 1qgb n ILE 102 Cb 0.26 -0.14 -0.08 0.00 -0.75 0.00 0.00 39.64 38.93 1qgb n ILE 102 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 1qgb s SER 103 N 0.85 6.28 -0.10 4.38 0.15 -1.00 -4.89 113.70 119.37 1qgb s SER 103 Ca 0.83 0.32 -0.02 0.00 0.70 0.00 0.00 55.95 57.78 1qgb s SER 103 Cb -1.16 -2.11 0.04 0.00 -1.71 0.00 0.00 66.02 61.07 1qgb s SER 103 CO 0.56 0.19 0.01 0.00 1.20 0.00 0.00 173.24 175.20 1qgb s THR 105 N 1.95 1.21 -0.21 0.00 -1.32 -1.26 -4.86 115.64 111.15 1qgb s THR 105 Ca 0.04 -2.07 -0.26 0.00 -1.21 0.00 0.00 61.69 58.18 1qgb s THR 105 Cb -0.13 -1.98 -0.00 0.00 -1.51 0.00 0.00 72.50 68.87 1qgb s THR 105 CO -0.06 -0.63 0.91 -0.63 -2.21 0.00 0.00 174.62 172.00 1qgb s ILE 106 N -3.30 4.79 0.31 5.08 1.09 -1.26 -0.67 121.20 127.23 1qgb s ILE 106 Ca 0.20 1.76 -0.27 0.00 -1.10 0.00 0.00 60.65 61.24 1qgb s ILE 106 Cb 0.03 -4.20 -0.14 0.00 -1.06 0.00 0.00 42.46 37.09 1qgb s ILE 106 CO 0.03 -0.08 0.96 0.00 -0.10 0.00 0.00 174.94 175.75 1qgb n ALA 107 N 5.86 -0.36 0.01 9.38 0.00 -1.26 -4.91 120.51 129.23 1qgb n ALA 107 Ca 0.08 0.36 -0.15 0.00 0.00 0.00 0.00 53.44 53.73 1qgb n ALA 107 Cb 0.47 -2.00 -0.14 0.00 0.00 0.00 0.00 19.45 17.79 1qgb n ALA 107 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1qgb h ASN 108 N 1.83 0.23 0.00 0.00 -0.73 -2.01 -3.52 115.58 111.38 1qgb h ASN 108 Ca -0.40 -0.46 0.00 0.00 1.87 0.00 0.00 56.30 57.31 1qgb h ASN 108 Cb 1.35 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 39.86 1qgb h ASN 108 CO 0.59 1.41 0.00 -1.14 -0.37 0.00 0.00 177.43 177.92