#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 0.17 -1.39 1.43 4.01 -1.26 -4.62 118.16 116.49 1qgb n LYS 18 Ca 0.00 0.06 -0.55 0.00 -0.51 0.00 0.00 58.31 57.31 1qgb n LYS 18 Cb 0.00 -1.16 -0.09 0.00 -0.51 0.00 0.00 35.03 33.27 1qgb n LYS 18 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 1qgb n PRO 19 N 1.08 0.64 0.00 1.97 -0.02 -1.26 -4.72 135.00 132.69 1qgb n PRO 19 Ca 0.12 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1qgb n PRO 19 Cb 0.39 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 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 6.73 3.87 3.48 -1.23 0.00 -1.26 -4.80 105.19 111.98 1qgb n GLY 20 Ca 0.46 -1.64 -0.33 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.23 3.05 0.15 0.00 6.14 -1.26 -2.93 117.35 122.27 1qgb s TYR 22 Ca 0.02 -1.51 -0.23 0.00 0.64 0.00 0.00 57.07 55.99 1qgb s TYR 22 Cb -0.13 -2.06 0.07 0.00 0.42 0.00 0.00 41.96 40.26 1qgb s TYR 22 CO 0.03 -0.72 0.61 0.34 0.64 0.00 0.00 175.55 176.45 1qgb s ASP 23 N 1.33 -0.56 -1.89 4.32 -1.08 -0.49 -4.92 116.67 113.38 1qgb s ASP 23 Ca 0.01 0.01 0.00 0.00 -0.52 0.00 0.00 52.55 52.04 1qgb s ASP 23 Cb -0.16 0.59 0.00 0.00 -1.46 0.00 0.00 42.92 41.89 1qgb s ASP 23 CO -0.05 -0.96 0.00 -3.20 0.52 0.00 0.00 175.17 171.49 1qgb n ASN 24 N -0.37 -5.44 0.00 -0.34 5.15 -1.26 -0.59 115.26 112.41 1qgb n ASN 24 Ca -0.17 0.24 0.00 0.00 -0.60 0.00 0.00 54.58 54.05 1qgb n ASN 24 Cb 0.65 -4.67 0.00 0.00 -0.53 0.00 0.00 39.78 35.23 1qgb n ASN 24 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1qgb n GLY 25 N -0.69 0.41 3.27 8.20 0.00 -1.26 -4.99 105.19 110.13 1qgb n GLY 25 Ca -0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.61 1.67 -0.64 1.61 2.20 0.24 -5.10 119.74 119.11 1qgb s LYS 26 Ca 0.00 -0.90 -0.01 0.00 -0.36 0.00 0.00 55.97 54.71 1qgb s LYS 26 Cb 0.00 -1.71 0.16 0.00 -1.51 0.00 0.00 37.83 34.77 1qgb s LYS 26 CO 0.00 0.46 0.45 -1.58 -0.36 0.00 0.00 175.35 174.31 1qgb s HIS 27 N -0.66 3.42 0.03 4.03 2.46 -1.26 -1.40 115.29 121.91 1qgb s HIS 27 Ca 0.09 -2.91 -0.00 0.00 0.47 0.00 0.00 55.06 52.70 1qgb s HIS 27 Cb -0.09 -3.08 0.01 0.00 -0.13 0.00 0.00 32.58 29.29 1qgb s HIS 27 CO 0.00 -0.78 0.04 0.66 -2.47 0.00 0.00 174.74 172.19 1qgb n TYR 28 N 3.13 -3.96 -3.19 3.88 4.02 -1.15 -4.96 117.16 114.92 1qgb n TYR 28 Ca 0.10 -0.03 -0.19 0.00 -0.01 0.00 0.00 57.90 57.76 1qgb n TYR 28 Cb 0.36 -0.03 0.02 0.00 -0.02 0.00 0.00 39.34 39.67 1qgb n TYR 28 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 1qgb s GLN 29 N -3.08 2.57 0.72 -0.72 2.00 -1.26 -3.94 119.66 115.94 1qgb s GLN 29 Ca 0.02 -1.48 -0.14 0.00 -2.00 0.00 0.00 55.36 51.76 1qgb s GLN 29 Cb -0.00 -2.60 0.03 0.00 0.80 0.00 0.00 33.01 31.24 1qgb s GLN 29 CO 0.02 -0.46 1.14 0.42 -0.50 0.00 0.00 175.29 175.91 1qgb s ILE 30 N -2.50 2.82 -1.23 -2.34 1.09 -1.26 -2.73 121.20 115.04 1qgb s ILE 30 Ca 0.54 0.37 0.00 0.00 -1.10 0.00 0.00 60.65 60.46 1qgb s ILE 30 Cb -0.07 -2.86 0.00 0.00 -1.06 0.00 0.00 42.46 38.47 1qgb s ILE 30 CO 0.33 -0.25 0.00 0.59 -0.10 0.00 0.00 174.94 175.51 1qgb n ASN 31 N -2.79 -3.87 -4.90 3.58 3.02 -0.46 -4.92 115.26 104.90 1qgb n ASN 31 Ca 0.11 0.29 -0.30 0.00 -0.03 0.00 0.00 54.58 54.65 1qgb n ASN 31 Cb 0.51 -3.33 -0.04 0.00 -0.61 0.00 0.00 39.78 36.31 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 -2.86 3.60 0.03 3.52 -0.44 -1.11 -4.82 119.66 117.59 1qgb s GLN 32 Ca 0.00 -0.12 0.07 0.00 -2.50 0.00 0.00 55.36 52.81 1qgb s GLN 32 Cb 0.00 -2.82 -0.03 0.00 -1.64 0.00 0.00 33.01 28.52 1qgb s GLN 32 CO 0.00 0.42 -0.17 -0.65 0.50 0.00 0.00 175.29 175.39 1qgb s GLN 33 N -2.90 2.12 0.35 1.67 -0.21 -1.26 -0.81 119.66 118.62 1qgb s GLN 33 Ca 0.41 -0.95 -0.03 0.00 0.02 0.00 0.00 55.36 54.81 1qgb s GLN 33 Cb -0.12 -2.21 0.01 0.00 1.00 0.00 0.00 33.01 31.69 1qgb s GLN 33 CO 0.26 0.55 0.50 1.67 -2.12 0.00 0.00 175.29 176.15 1qgb s TRP 34 N -0.92 1.01 -0.19 0.91 -2.14 -0.98 -5.02 118.94 111.63 1qgb s TRP 34 Ca 0.15 -1.27 -0.08 0.00 2.66 0.00 0.00 56.10 57.56 1qgb s TRP 34 Cb -0.11 -0.02 -0.04 0.00 -3.10 0.00 0.00 33.47 30.20 1qgb s TRP 34 CO 0.05 -1.18 0.07 -2.00 -2.66 0.00 0.00 176.95 171.24 1qgb s GLU 35 N -2.96 4.01 0.28 3.25 2.12 -1.26 -1.64 118.70 122.50 1qgb s GLU 35 Ca 0.29 -0.32 0.02 0.00 0.36 0.00 0.00 54.97 55.32 1qgb s GLU 35 Cb -0.01 -3.25 -0.05 0.00 0.26 0.00 0.00 34.13 31.08 1qgb s GLU 35 CO 0.20 0.28 0.09 0.50 -0.54 0.00 0.00 175.26 175.79 1qgb s ARG 36 N 0.37 1.50 -0.02 4.30 3.52 0.34 -4.88 118.95 124.09 1qgb s ARG 36 Ca 0.04 -1.82 0.00 0.00 -0.13 0.00 0.00 55.73 53.82 1qgb s ARG 36 Cb -0.12 -0.39 0.02 0.00 -1.56 0.00 0.00 34.95 32.90 1qgb s ARG 36 CO -0.00 -0.29 0.01 -0.08 -0.81 0.00 0.00 175.30 174.13 1qgb s THR 37 N -3.62 0.01 -0.12 4.11 -1.32 -1.26 0.26 115.64 113.70 1qgb s THR 37 Ca 0.37 0.13 0.02 0.00 -1.21 0.00 0.00 61.69 60.99 1qgb s THR 37 Cb 0.08 -0.11 0.02 0.00 -1.51 0.00 0.00 72.50 70.98 1qgb s THR 37 CO 0.14 0.08 -0.16 -0.47 -2.21 0.00 0.00 174.62 172.00 1qgb s TYR 38 N 0.76 2.15 -1.03 9.09 6.14 -0.83 -4.65 117.35 128.98 1qgb s TYR 38 Ca -0.07 -1.07 0.00 0.00 0.64 0.00 0.00 57.07 56.57 1qgb s TYR 38 Cb -0.10 -1.54 0.00 0.00 0.42 0.00 0.00 41.96 40.75 1qgb s TYR 38 CO -0.02 -0.55 0.00 -0.11 0.64 0.00 0.00 175.55 175.52 1qgb n LEU 39 N 4.29 -0.91 -1.10 6.97 7.94 -1.26 -2.96 117.00 129.97 1qgb n LEU 39 Ca -0.19 0.19 -0.04 0.00 -1.11 0.00 0.00 56.01 54.86 1qgb n LEU 39 Cb 0.51 -1.66 0.01 0.00 0.53 0.00 0.00 43.42 42.82 1qgb n LEU 39 CO 0.24 -0.43 0.04 0.61 -1.11 0.00 0.00 177.39 176.74 1qgb n GLY 40 N -1.57 0.65 3.06 -3.96 0.00 -1.26 -5.06 105.19 97.05 1qgb n GLY 40 Ca -0.11 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.08 -0.21 0.55 1.61 0.01 -1.16 -5.14 114.94 107.53 1qgb s ASN 41 Ca 0.09 0.41 -0.16 0.00 -0.71 0.00 0.00 52.86 52.49 1qgb s ASN 41 Cb -0.04 0.39 -0.13 0.00 0.41 0.00 0.00 41.25 41.87 1qgb s ASN 41 CO 0.13 -0.09 -0.25 0.00 -1.51 0.00 0.00 177.10 175.39 1qgb n ALA 42 N 3.21 -3.41 -3.51 0.60 0.00 -1.26 -1.97 120.51 114.18 1qgb n ALA 42 Ca -0.15 -0.17 -0.08 0.00 0.00 0.00 0.00 53.44 53.04 1qgb n ALA 42 Cb 0.57 -1.20 -0.02 0.00 0.00 0.00 0.00 19.45 18.81 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 5.05 -0.36 -0.06 0.00 2.96 0.74 -4.55 118.68 122.45 1qgb s LEU 43 Ca 0.47 0.02 0.02 0.00 -0.22 0.00 0.00 54.13 54.42 1qgb s LEU 43 Cb -0.38 2.02 0.02 0.00 0.50 0.00 0.00 46.19 48.34 1qgb s LEU 43 CO 0.62 -0.61 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.25 1qgb s VAL 44 N -3.04 0.97 0.32 1.68 1.01 0.18 0.13 120.40 121.64 1qgb s VAL 44 Ca 0.05 -0.37 0.08 0.00 0.00 0.00 0.00 61.98 61.74 1qgb s VAL 44 Cb -0.01 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 1qgb s VAL 44 CO -0.09 0.32 0.13 0.00 0.00 0.00 0.00 175.10 175.47 1qgb s THR 46 N -2.36 -0.32 0.41 0.00 2.01 -1.15 -2.31 115.64 111.93 1qgb s THR 46 Ca 0.36 0.26 -0.24 0.00 0.31 0.00 0.00 61.69 62.38 1qgb s THR 46 Cb -0.04 -0.40 -0.08 0.00 0.01 0.00 0.00 72.50 71.98 1qgb s THR 46 CO 0.23 0.08 1.11 0.00 -0.69 0.00 0.00 174.62 175.34 1qgb n TYR 48 N -0.14 0.00 0.00 0.00 4.02 -1.26 -1.36 117.16 118.42 1qgb n TYR 48 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 1qgb n TYR 48 Cb 0.48 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 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 1.93 -0.21 5.65 2.72 0.00 -1.26 -4.63 105.19 109.39 1qgb n GLY 49 Ca -0.00 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.37 1.29 0.00 -0.02 0.00 -1.26 -1.52 105.19 103.31 1qgb n GLY 50 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 3.05 0.74 0.33 1.61 2.88 -1.26 -4.37 113.62 116.60 1qgb n SER 51 Ca 0.00 -1.32 0.14 0.00 -1.33 0.00 0.00 58.87 56.36 1qgb n SER 51 Cb 0.00 0.00 0.76 0.00 -0.75 0.00 0.00 64.21 64.22 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 -2.17 -1.46 2.47 -1.57 -3.47 114.38 108.18 1qgb h ARG 52 Ca 0.00 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.75 1qgb h ARG 52 Cb 0.68 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.98 1qgb h ARG 52 CO 0.00 0.00 -0.60 0.41 0.56 0.00 0.00 179.97 180.34 1qgb n GLY 53 N -1.24 -3.47 3.92 0.04 0.00 -1.26 -4.92 105.19 98.27 1qgb n GLY 53 Ca -0.02 -1.07 -0.26 0.00 0.00 0.00 0.00 46.02 44.68 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 -4.67 3.50 -0.23 1.61 -0.12 -1.26 -4.16 117.98 112.65 1qgb s PHE 54 Ca 0.00 0.50 -0.00 0.00 -0.05 0.00 0.00 56.93 57.38 1qgb s PHE 54 Cb 0.00 -2.01 0.03 0.00 -0.63 0.00 0.00 43.02 40.41 1qgb s PHE 54 CO 0.00 0.10 -0.10 -0.80 -0.05 0.00 0.00 175.22 174.38 1qgb s ASN 55 N -3.71 4.08 0.12 1.98 -0.87 -1.11 -4.87 114.94 110.56 1qgb s ASN 55 Ca 0.42 -0.89 0.03 0.00 -1.57 0.00 0.00 52.86 50.85 1qgb s ASN 55 Cb -0.10 -1.61 -0.04 0.00 -0.02 0.00 0.00 41.25 39.48 1qgb s ASN 55 CO 0.35 -0.11 0.18 0.00 -2.57 0.00 0.00 177.10 174.95 1qgb s GLU 57 N -2.86 0.54 0.18 0.00 -1.05 -0.66 -4.93 118.70 109.92 1qgb s GLU 57 Ca 0.32 -0.35 -0.30 0.00 -0.15 0.00 0.00 54.97 54.49 1qgb s GLU 57 Cb -0.11 0.15 -0.08 0.00 -0.44 0.00 0.00 34.13 33.65 1qgb s GLU 57 CO 0.25 -0.25 1.16 0.45 0.95 0.00 0.00 175.26 177.82 1qgb s SER 58 N -3.74 7.16 -0.50 0.83 0.15 -1.26 0.47 113.70 116.80 1qgb s SER 58 Ca 0.28 2.17 -0.44 0.00 0.70 0.00 0.00 55.95 58.66 1qgb s SER 58 Cb -0.01 -2.60 -0.19 0.00 -1.71 0.00 0.00 66.02 61.51 1qgb s SER 58 CO 0.00 -0.32 2.04 1.17 1.20 0.00 0.00 173.24 177.34 1qgb n LYS 59 N 2.51 0.00 -1.62 5.44 3.00 -1.26 -4.83 118.16 121.40 1qgb n LYS 59 Ca 0.04 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 58.02 1qgb n LYS 59 Cb 0.45 -1.49 0.06 0.00 0.00 0.00 0.00 35.03 34.05 1qgb n LYS 59 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1qgb s PRO 60 N 5.50 2.64 -0.15 1.64 0.04 -1.26 -5.00 135.00 138.41 1qgb s PRO 60 Ca 1.17 1.34 -0.28 0.00 0.04 0.00 0.00 61.00 63.27 1qgb s PRO 60 Cb -1.49 -1.93 -0.25 0.00 0.04 0.00 0.00 34.50 30.87 1qgb s PRO 60 CO 0.68 -1.37 0.68 1.49 0.04 0.00 0.00 177.00 178.53 1qgb h GLU 61 N -0.28 0.00 -2.30 4.56 4.81 -2.04 -3.48 114.58 115.85 1qgb h GLU 61 Ca -0.46 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.70 1qgb h GLU 61 Cb 1.24 0.00 -0.20 0.00 0.63 0.00 0.00 28.75 30.43 1qgb h GLU 61 CO 0.53 0.99 0.04 0.00 -0.73 0.00 0.00 179.01 179.84 1qgb s ALA 62 N -2.24 -1.49 -0.21 2.92 0.00 -1.26 -5.06 121.76 114.42 1qgb s ALA 62 Ca -0.20 1.15 0.03 0.00 0.00 0.00 0.00 51.96 52.94 1qgb s ALA 62 Cb -0.02 -0.16 -0.15 0.00 0.00 0.00 0.00 23.12 22.80 1qgb s ALA 62 CO 0.67 -0.33 -0.16 -1.91 0.00 0.00 0.00 175.76 174.03 1qgb n GLU 63 N 1.33 0.61 -0.85 0.00 2.13 -1.26 -4.99 120.64 117.61 1qgb n GLU 63 Ca -0.19 0.11 -0.19 0.00 0.66 0.00 0.00 57.16 57.55 1qgb n GLU 63 Cb 0.57 -1.42 0.15 0.00 0.27 0.00 0.00 31.44 31.01 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 -3.07 -1.92 0.00 5.31 0.00 -1.26 -2.34 120.64 117.37 1qgb n GLU 64 Ca -0.36 -1.20 0.00 0.00 0.00 0.00 0.00 57.16 55.59 1qgb n GLU 64 Cb 0.91 -1.01 0.00 0.00 0.00 0.00 0.00 31.44 31.34 1qgb n GLU 64 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1qgb n THR 65 N -3.78 0.00 -3.45 6.31 -2.24 -1.26 -4.66 114.28 105.21 1qgb n THR 65 Ca 0.10 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.75 1qgb n THR 65 Cb 0.38 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 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 -0.07 0.00 -2.52 0.00 7.35 -1.22 -2.21 117.46 118.79 1qgb n PHE 67 Ca -0.17 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.52 1qgb n PHE 67 Cb 0.63 -0.19 0.00 0.00 0.35 0.00 0.00 39.48 40.27 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 -1.73 -5.40 -3.01 -2.13 -0.08 -1.20 -0.02 116.55 102.99 1qgb n ASP 68 Ca -0.01 0.47 -0.00 0.00 -1.51 0.00 0.00 54.79 53.73 1qgb n ASP 68 Cb 0.25 -1.21 0.00 0.00 2.34 0.00 0.00 41.12 42.51 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 1.50 -0.60 0.00 -0.67 2.85 -1.26 -1.92 118.16 118.06 1qgb n LYS 69 Ca 0.00 -0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 1qgb n LYS 69 Cb 0.25 -0.02 0.00 0.00 -0.65 0.00 0.00 35.03 34.61 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 -2.67 0.00 -1.49 5.58 4.01 -1.26 -3.87 117.16 117.46 1qgb n TYR 70 Ca 0.00 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.76 1qgb n TYR 70 Cb 0.01 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.06 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 0.00 0.46 -3.91 -0.72 -2.24 -1.25 -5.03 114.28 101.59 1qgb n THR 71 Ca 0.00 -0.54 -0.38 0.00 -2.27 0.00 0.00 64.05 60.86 1qgb n THR 71 Cb 0.00 0.43 0.02 0.00 -2.10 0.00 0.00 70.33 68.68 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 -0.34 -0.82 3.93 3.38 0.00 -1.08 -4.95 105.19 105.32 1qgb n GLY 72 Ca 0.03 0.37 -0.25 0.00 0.00 0.00 0.00 46.02 46.17 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 -3.61 5.68 -0.54 1.61 -0.87 0.97 -4.95 114.94 113.23 1qgb s ASN 73 Ca 0.43 0.50 0.02 0.00 -1.57 0.00 0.00 52.86 52.24 1qgb s ASN 73 Cb -0.19 -1.59 0.14 0.00 -0.02 0.00 0.00 41.25 39.58 1qgb s ASN 73 CO 0.92 -0.91 0.30 -0.89 -2.57 0.00 0.00 177.10 173.95 1qgb s THR 74 N -2.79 2.84 0.00 1.60 2.01 -1.25 -3.23 115.64 114.82 1qgb s THR 74 Ca 0.52 -3.24 0.00 0.00 0.31 0.00 0.00 61.69 59.28 1qgb s THR 74 Cb -0.10 -2.94 0.00 0.00 0.01 0.00 0.00 72.50 69.47 1qgb s THR 74 CO 0.42 -0.82 0.00 -1.22 -0.69 0.00 0.00 174.62 172.31 1qgb n TYR 75 N 3.20 -2.74 -4.27 4.92 4.01 -0.94 -4.85 117.16 116.47 1qgb n TYR 75 Ca 0.06 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.65 1qgb n TYR 75 Cb 0.33 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.26 1qgb n TYR 75 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1qgb s ARG 76 N -1.55 1.16 0.39 -0.72 3.00 -1.26 -1.04 118.95 118.93 1qgb s ARG 76 Ca 0.00 -1.54 0.21 0.00 0.00 0.00 0.00 55.73 54.41 1qgb s ARG 76 Cb 0.00 -0.57 0.51 0.00 0.00 0.00 0.00 34.95 34.89 1qgb s ARG 76 CO 0.00 -0.01 1.65 0.28 0.00 0.00 0.00 175.30 177.22 1qgb h VAL 77 N 2.67 0.47 -0.40 3.52 2.07 -1.81 -3.07 116.25 119.68 1qgb h VAL 77 Ca -0.37 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 65.73 1qgb h VAL 77 Cb 1.20 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 33.01 1qgb h VAL 77 CO 0.64 0.24 0.00 0.61 0.02 0.00 0.00 177.57 179.07 1qgb n GLY 78 N 0.76 1.78 3.04 2.17 0.00 -1.26 -4.75 105.19 106.93 1qgb n GLY 78 Ca 0.02 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.74 0.05 1.13 1.61 2.15 -1.16 -5.16 116.67 114.56 1qgb s ASP 79 Ca 0.32 0.51 -0.19 0.00 0.43 0.00 0.00 52.55 53.62 1qgb s ASP 79 Cb 0.21 1.19 0.27 0.00 -0.30 0.00 0.00 42.92 44.29 1qgb s ASP 79 CO 0.15 -0.27 1.22 0.28 -0.17 0.00 0.00 175.17 176.37 1qgb s THR 80 N 2.57 1.73 0.23 1.71 -1.32 -1.26 -4.26 115.64 115.03 1qgb s THR 80 Ca 0.08 0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 60.41 1qgb s THR 80 Cb -0.14 -2.71 0.01 0.00 -1.51 0.00 0.00 72.50 68.15 1qgb s THR 80 CO -0.15 0.00 0.51 -0.72 -2.21 0.00 0.00 174.62 172.06 1qgb s TYR 81 N -3.42 0.16 0.00 9.09 1.13 0.01 -4.94 117.35 119.38 1qgb s TYR 81 Ca 0.74 -0.53 0.03 0.00 -1.41 0.00 0.00 57.07 55.90 1qgb s TYR 81 Cb -0.06 0.30 -0.03 0.00 -1.10 0.00 0.00 41.96 41.07 1qgb s TYR 81 CO 0.55 -0.99 -0.06 -1.21 -2.51 0.00 0.00 175.55 171.33 1qgb s GLU 82 N -3.96 2.57 -0.32 -3.49 2.02 -1.26 -0.71 118.70 113.54 1qgb s GLU 82 Ca 0.17 -0.71 0.01 0.00 0.02 0.00 0.00 54.97 54.46 1qgb s GLU 82 Cb -0.01 -2.52 0.14 0.00 0.10 0.00 0.00 34.13 31.84 1qgb s GLU 82 CO 0.05 0.60 0.32 0.50 0.02 0.00 0.00 175.26 176.75 1qgb s ARG 83 N -1.42 0.45 0.33 1.61 6.06 -1.22 -4.92 118.95 119.83 1qgb s ARG 83 Ca 0.17 -0.47 -0.29 0.00 -2.50 0.00 0.00 55.73 52.65 1qgb s ARG 83 Cb -0.11 -0.72 -0.12 0.00 0.06 0.00 0.00 34.95 34.06 1qgb s ARG 83 CO 0.08 -1.10 1.35 -2.30 -2.50 0.00 0.00 175.30 170.82 1qgb n PRO 84 N 4.86 2.21 -3.76 5.12 -0.02 -1.26 -4.31 135.00 137.83 1qgb n PRO 84 Ca 0.03 0.78 -0.09 0.00 -2.02 0.00 0.00 63.50 62.19 1qgb n PRO 84 Cb 0.45 -2.40 -0.04 0.00 -0.02 0.00 0.00 33.50 31.50 1qgb n PRO 84 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1qgb s LYS 85 N -1.59 1.40 0.86 -0.52 2.20 -0.95 -5.04 119.74 116.10 1qgb s LYS 85 Ca 0.58 -0.90 0.00 0.00 -0.36 0.00 0.00 55.97 55.29 1qgb s LYS 85 Cb -0.57 0.52 0.00 0.00 -1.51 0.00 0.00 37.83 36.27 1qgb s LYS 85 CO 0.60 -0.59 0.00 -0.25 -0.36 0.00 0.00 175.35 174.74 1qgb n ASP 86 N -0.34 0.00 -0.42 1.43 8.00 -1.26 -0.96 116.55 123.00 1qgb n ASP 86 Ca -0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.41 1qgb n ASP 86 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.72 1qgb n ASP 86 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1qgb n SER 87 N 2.49 0.00 -4.02 -2.24 2.88 -1.26 -5.13 113.62 106.34 1qgb n SER 87 Ca 0.00 -1.33 -0.10 0.00 -1.33 0.00 0.00 58.87 56.11 1qgb n SER 87 Cb 0.00 -0.07 -0.07 0.00 -0.75 0.00 0.00 64.21 63.32 1qgb n SER 87 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1qgb s MET 88 N 0.00 1.27 -0.08 -1.46 1.75 -0.13 -5.16 119.30 115.48 1qgb s MET 88 Ca 0.00 -1.29 -0.01 0.00 -1.25 0.00 0.00 55.69 53.14 1qgb s MET 88 Cb 0.00 0.38 -0.03 0.00 2.84 0.00 0.00 34.83 38.02 1qgb s MET 88 CO 0.00 -0.47 -0.01 0.42 -0.65 0.00 0.00 175.02 174.31 1qgb s ILE 89 N -4.02 4.23 -0.08 10.11 1.01 -1.26 -2.25 121.20 128.95 1qgb s ILE 89 Ca 0.23 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.58 1qgb s ILE 89 Cb 0.03 -2.78 0.02 0.00 0.01 0.00 0.00 42.46 39.74 1qgb s ILE 89 CO 0.05 0.59 -0.06 0.26 0.00 0.00 0.00 174.94 175.78 1qgb s TRP 90 N -0.89 1.12 -0.65 3.97 0.52 -1.26 0.16 118.94 121.90 1qgb s TRP 90 Ca 0.14 -0.44 -0.25 0.00 0.02 0.00 0.00 56.10 55.57 1qgb s TRP 90 Cb -0.11 -0.96 -0.21 0.00 -1.15 0.00 0.00 33.47 31.03 1qgb s TRP 90 CO 0.03 -0.34 1.85 -3.47 0.02 0.00 0.00 176.95 175.04 1qgb n ASP 91 N 4.53 2.14 -4.61 2.95 -0.08 -0.21 -3.42 116.55 117.85 1qgb n ASP 91 Ca -0.17 -2.63 -0.43 0.00 -1.51 0.00 0.00 54.79 50.06 1qgb n ASP 91 Cb 0.51 -1.09 -0.03 0.00 2.34 0.00 0.00 41.12 42.85 1qgb n ASP 91 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1qgb s THR 93 N 7.66 4.69 -1.00 0.00 2.01 0.36 -0.81 115.64 128.56 1qgb s THR 93 Ca 0.99 -0.06 -0.25 0.00 0.31 0.00 0.00 61.69 62.68 1qgb s THR 93 Cb -0.35 -3.22 -0.22 0.00 0.01 0.00 0.00 72.50 68.71 1qgb s THR 93 CO 0.36 0.29 2.06 0.00 -0.69 0.00 0.00 174.62 176.64 1qgb s ILE 95 N 16.16 5.13 0.00 0.00 1.01 -1.26 -4.61 121.20 137.64 1qgb s ILE 95 Ca 0.77 -1.30 0.00 0.00 0.00 0.00 0.00 60.65 60.12 1qgb s ILE 95 Cb -0.05 -4.33 0.00 0.00 0.01 0.00 0.00 42.46 38.09 1qgb s ILE 95 CO 0.17 -0.87 0.00 0.61 0.00 0.00 0.00 174.94 174.86 1qgb n GLY 96 N 5.25 1.48 2.63 6.18 0.00 -1.26 -2.29 105.19 117.17 1qgb n GLY 96 Ca -0.13 -1.72 -0.17 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 -1.29 3.98 0.00 4.61 0.00 -1.26 -4.18 120.51 122.36 1qgb n ALA 97 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 53.44 51.90 1qgb n ALA 97 Cb 0.00 -2.83 0.00 0.00 0.00 0.00 0.00 19.45 16.62 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 3.68 3.04 2.66 0.00 0.00 -0.99 -4.61 105.19 108.98 1qgb n GLY 98 Ca 0.35 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.31 0.19 0.00 1.61 3.00 -1.26 -4.38 116.66 114.52 1qgb n ARG 99 Ca 0.00 -0.74 -0.18 0.00 -0.00 0.00 0.00 57.85 56.93 1qgb n ARG 99 Cb 0.00 -0.11 -0.14 0.00 0.00 0.00 0.00 32.46 32.21 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 1.75 0.23 -4.88 5.14 0.00 -1.81 -3.45 103.07 100.05 1qgb h GLY 100 Ca -0.43 -0.59 -0.07 0.00 0.00 0.00 0.00 47.33 46.25 1qgb h GLY 100 CO -0.09 0.52 0.23 -0.96 0.00 0.00 0.00 176.54 176.23 1qgb n ARG 101 N -3.37 0.09 -1.38 4.80 1.85 -0.97 -4.99 116.66 112.68 1qgb n ARG 101 Ca -0.27 -0.56 -0.21 0.00 -1.00 0.00 0.00 57.85 55.81 1qgb n ARG 101 Cb 1.05 -0.00 -0.21 0.00 -1.05 0.00 0.00 32.46 32.25 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 -0.48 0.00 -1.06 8.89 2.08 -1.23 -4.61 119.36 122.94 1qgb n ILE 102 Ca -0.28 -0.44 -0.29 0.00 0.56 0.00 0.00 62.75 62.30 1qgb n ILE 102 Cb 0.62 -0.02 0.22 0.00 -0.75 0.00 0.00 39.64 39.71 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 0.39 1.50 -0.24 4.38 0.15 -1.14 -4.74 113.70 114.00 1qgb s SER 103 Ca 1.22 0.90 -0.10 0.00 0.70 0.00 0.00 55.95 58.66 1qgb s SER 103 Cb -0.80 -1.35 0.09 0.00 -1.71 0.00 0.00 66.02 62.26 1qgb s SER 103 CO 0.52 -3.80 0.54 0.00 1.20 0.00 0.00 173.24 171.70 1qgb s THR 105 N 2.21 4.78 0.58 0.00 -4.23 -1.17 -4.75 115.64 113.06 1qgb s THR 105 Ca -0.06 -0.43 -0.18 0.00 -1.18 0.00 0.00 61.69 59.84 1qgb s THR 105 Cb -0.10 -4.37 -0.12 0.00 1.34 0.00 0.00 72.50 69.25 1qgb s THR 105 CO -0.16 -0.91 0.11 0.00 -0.54 0.00 0.00 174.62 173.11 1qgb n ILE 106 N 5.70 0.90 -4.70 2.99 3.06 -1.26 -1.04 119.36 125.01 1qgb n ILE 106 Ca -0.06 -0.49 -0.31 0.00 -2.50 0.00 0.00 62.75 59.40 1qgb n ILE 106 Cb 0.45 -0.29 -0.17 0.00 0.54 0.00 0.00 39.64 40.18 1qgb n ILE 106 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1qgb s ALA 107 N -1.90 2.03 0.27 1.51 0.00 0.42 -4.76 121.76 119.33 1qgb s ALA 107 Ca 0.61 -0.94 -0.06 0.00 0.00 0.00 0.00 51.96 51.57 1qgb s ALA 107 Cb -0.45 -0.90 -0.01 0.00 0.00 0.00 0.00 23.12 21.77 1qgb s ALA 107 CO 0.63 0.02 0.39 0.54 0.00 0.00 0.00 175.76 177.34 1qgb s ASN 108 N 0.77 0.36 0.00 0.00 2.20 -1.26 -4.32 114.94 112.69 1qgb s ASN 108 Ca -0.09 -1.25 0.09 0.00 -0.94 0.00 0.00 52.86 50.67 1qgb s ASN 108 Cb -0.16 0.56 0.54 0.00 -2.00 0.00 0.00 41.25 40.19 1qgb s ASN 108 CO 0.00 -1.12 0.99 -1.14 -2.94 0.00 0.00 177.10 172.89