#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qgb s LYS 18 N 0.00 2.02 0.59 4.33 1.02 -1.26 -5.07 119.74 121.37 1qgb s LYS 18 Ca 0.00 -1.00 -0.18 0.00 0.02 0.00 0.00 55.97 54.81 1qgb s LYS 18 Cb 0.00 -2.15 -0.03 0.00 -0.52 0.00 0.00 37.83 35.13 1qgb s LYS 18 CO 0.00 0.54 1.12 -1.25 -0.92 0.00 0.00 175.35 174.83 1qgb s PRO 19 N -1.39 3.13 0.00 -1.68 0.04 -1.26 -4.17 135.00 129.67 1qgb s PRO 19 Ca 0.14 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.69 1qgb s PRO 19 Cb -0.10 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1qgb s PRO 19 CO 0.05 -1.01 0.00 0.41 0.04 0.00 0.00 177.00 176.49 1qgb n GLY 20 N -0.16 -1.06 3.37 0.56 0.00 -1.26 -4.93 105.19 101.71 1qgb n GLY 20 Ca 0.11 -2.12 -0.13 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.65 -0.12 -0.19 0.00 5.04 -1.26 -3.11 117.35 115.07 1qgb s TYR 22 Ca -0.04 0.39 -0.27 0.00 -2.44 0.00 0.00 57.07 54.70 1qgb s TYR 22 Cb -0.00 -0.11 0.08 0.00 0.35 0.00 0.00 41.96 42.27 1qgb s TYR 22 CO -0.03 -0.14 0.77 0.34 -1.34 0.00 0.00 175.55 175.14 1qgb s ASP 23 N 1.09 -0.65 -0.45 4.32 2.15 0.26 -4.92 116.67 118.47 1qgb s ASP 23 Ca -0.09 1.04 0.00 0.00 0.43 0.00 0.00 52.55 53.94 1qgb s ASP 23 Cb -0.11 0.98 0.00 0.00 -0.30 0.00 0.00 42.92 43.49 1qgb s ASP 23 CO -0.05 -0.37 0.00 -0.46 -0.17 0.00 0.00 175.17 174.12 1qgb n ASN 24 N 1.86 -2.09 0.00 -0.34 6.94 -1.26 0.22 115.26 120.59 1qgb n ASN 24 Ca -0.15 0.34 0.00 0.00 -0.02 0.00 0.00 54.58 54.75 1qgb n ASN 24 Cb 0.56 -1.90 0.00 0.00 -2.36 0.00 0.00 39.78 36.08 1qgb n ASN 24 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qgb n GLY 25 N -0.56 2.24 3.82 4.83 0.00 -1.26 -5.02 105.19 109.24 1qgb n GLY 25 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.26 4.15 -0.48 1.61 2.20 0.60 -5.05 119.74 122.51 1qgb s LYS 26 Ca 0.00 0.68 0.04 0.00 -0.36 0.00 0.00 55.97 56.33 1qgb s LYS 26 Cb 0.00 -3.21 0.12 0.00 -1.51 0.00 0.00 37.83 33.23 1qgb s LYS 26 CO 0.00 0.63 0.21 -1.58 -0.36 0.00 0.00 175.35 174.26 1qgb s HIS 27 N -1.13 3.30 0.65 4.03 2.46 -1.26 -0.58 115.29 122.77 1qgb s HIS 27 Ca 0.29 -3.13 -0.08 0.00 0.47 0.00 0.00 55.06 52.60 1qgb s HIS 27 Cb -0.19 -2.84 0.02 0.00 -0.13 0.00 0.00 32.58 29.44 1qgb s HIS 27 CO 0.18 -0.79 1.00 0.71 -2.47 0.00 0.00 174.74 173.37 1qgb s TYR 28 N -0.01 3.25 0.07 3.88 1.51 -1.18 -4.93 117.35 119.93 1qgb s TYR 28 Ca 0.16 0.80 -0.09 0.00 -1.01 0.00 0.00 57.07 56.92 1qgb s TYR 28 Cb -0.24 -2.93 -0.06 0.00 -0.11 0.00 0.00 41.96 38.62 1qgb s TYR 28 CO -0.02 -1.05 0.37 -1.14 -1.11 0.00 0.00 175.55 172.61 1qgb s GLN 29 N -5.18 3.72 0.60 -0.62 0.74 -1.26 -2.97 119.66 114.69 1qgb s GLN 29 Ca 0.56 0.11 -0.18 0.00 0.05 0.00 0.00 55.36 55.91 1qgb s GLN 29 Cb -0.11 -3.01 -0.08 0.00 1.10 0.00 0.00 33.01 30.91 1qgb s GLN 29 CO 0.48 0.58 0.48 -0.89 -0.55 0.00 0.00 175.29 175.38 1qgb n ILE 30 N 0.92 2.05 -1.44 -2.34 -0.00 -1.26 -1.17 119.36 116.12 1qgb n ILE 30 Ca -0.08 -0.48 -0.15 0.00 -0.00 0.00 0.00 62.75 62.03 1qgb n ILE 30 Cb 0.52 -0.65 -0.06 0.00 -0.00 0.00 0.00 39.64 39.45 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 0.49 -5.61 -4.87 4.38 3.02 0.38 -4.93 115.26 108.12 1qgb n ASN 31 Ca 0.11 0.37 -0.27 0.00 -0.03 0.00 0.00 54.58 54.77 1qgb n ASN 31 Cb 0.48 -4.47 -0.04 0.00 -0.61 0.00 0.00 39.78 35.14 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 -3.27 3.16 -0.03 3.52 0.74 -0.32 -4.86 119.66 118.60 1qgb s GLN 32 Ca 0.00 -0.72 0.07 0.00 0.05 0.00 0.00 55.36 54.77 1qgb s GLN 32 Cb 0.00 -2.81 -0.02 0.00 1.10 0.00 0.00 33.01 31.28 1qgb s GLN 32 CO 0.00 0.51 -0.25 -0.65 -0.55 0.00 0.00 175.29 174.35 1qgb s GLN 33 N -3.08 2.20 0.25 1.67 -0.21 -1.26 -0.89 119.66 118.33 1qgb s GLN 33 Ca 0.33 -0.91 0.00 0.00 0.02 0.00 0.00 55.36 54.80 1qgb s GLN 33 Cb -0.11 -2.04 -0.00 0.00 1.00 0.00 0.00 33.01 31.86 1qgb s GLN 33 CO 0.26 0.50 0.31 -2.67 -2.12 0.00 0.00 175.29 171.57 1qgb n TRP 34 N 2.59 -1.01 -4.02 0.91 2.14 -0.97 -5.02 117.44 112.06 1qgb n TRP 34 Ca -0.16 -1.78 -0.35 0.00 2.07 0.00 0.00 57.50 57.28 1qgb n TRP 34 Cb 0.51 0.35 -0.13 0.00 -0.81 0.00 0.00 31.31 31.23 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 -2.68 3.58 0.25 -2.67 -6.30 -1.26 -1.67 118.70 107.96 1qgb s GLU 35 Ca 0.23 -0.53 0.03 0.00 -2.50 0.00 0.00 54.97 52.19 1qgb s GLU 35 Cb -0.00 -3.09 -0.05 0.00 0.00 0.00 0.00 34.13 30.98 1qgb s GLU 35 CO 0.16 -0.04 0.04 0.50 0.02 0.00 0.00 175.26 175.94 1qgb s ARG 36 N 1.14 1.40 -0.02 4.30 3.00 0.65 -4.91 118.95 124.52 1qgb s ARG 36 Ca 0.03 -1.74 0.02 0.00 -1.00 0.00 0.00 55.73 53.04 1qgb s ARG 36 Cb -0.14 -0.54 0.00 0.00 0.00 0.00 0.00 34.95 34.27 1qgb s ARG 36 CO 0.01 -0.17 -0.07 -0.08 0.00 0.00 0.00 175.30 174.99 1qgb s THR 37 N -3.51 0.58 -0.37 4.11 -1.32 -1.26 0.25 115.64 114.12 1qgb s THR 37 Ca 0.32 -0.27 -0.08 0.00 -1.21 0.00 0.00 61.69 60.46 1qgb s THR 37 Cb 0.07 -0.52 0.05 0.00 -1.51 0.00 0.00 72.50 70.59 1qgb s THR 37 CO 0.11 0.18 0.17 -0.47 -2.21 0.00 0.00 174.62 172.40 1qgb s TYR 38 N 0.13 3.28 0.00 9.09 6.14 -1.12 -4.68 117.35 130.19 1qgb s TYR 38 Ca -0.01 -1.36 0.00 0.00 0.64 0.00 0.00 57.07 56.33 1qgb s TYR 38 Cb -0.06 -2.50 0.00 0.00 0.42 0.00 0.00 41.96 39.82 1qgb s TYR 38 CO -0.00 -0.74 0.00 -0.11 0.64 0.00 0.00 175.55 175.33 1qgb n LEU 39 N 4.88 0.00 0.00 6.97 7.94 -1.26 -3.54 117.00 131.99 1qgb n LEU 39 Ca -0.11 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.79 1qgb n LEU 39 Cb 0.44 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.39 1qgb n LEU 39 CO 0.34 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.23 1qgb n GLY 40 N 0.00 0.00 2.81 -3.96 0.00 -1.26 -5.16 105.19 97.62 1qgb n GLY 40 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 0.14 0.44 1.61 0.01 -1.23 -5.13 114.94 110.78 1qgb s ASN 41 Ca 0.00 0.13 -0.14 0.00 -0.71 0.00 0.00 52.86 52.13 1qgb s ASN 41 Cb 0.00 0.01 -0.12 0.00 0.41 0.00 0.00 41.25 41.55 1qgb s ASN 41 CO 0.00 -0.15 -0.15 0.00 -1.51 0.00 0.00 177.10 175.29 1qgb n ALA 42 N 4.33 -2.97 -3.55 0.60 0.00 -1.26 -2.79 120.51 114.87 1qgb n ALA 42 Ca -0.25 -0.08 -0.10 0.00 0.00 0.00 0.00 53.44 53.01 1qgb n ALA 42 Cb 0.50 -1.12 -0.04 0.00 0.00 0.00 0.00 19.45 18.79 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 4.27 -0.39 -0.16 0.00 2.96 0.69 -4.58 118.68 121.47 1qgb s LEU 43 Ca 0.45 0.28 0.02 0.00 -0.22 0.00 0.00 54.13 54.66 1qgb s LEU 43 Cb -0.38 1.97 0.01 0.00 0.50 0.00 0.00 46.19 48.29 1qgb s LEU 43 CO 0.55 -0.46 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.22 1qgb s VAL 44 N -1.82 2.09 0.23 1.68 1.01 0.58 0.24 120.40 124.40 1qgb s VAL 44 Ca -0.00 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 61.09 1qgb s VAL 44 Cb -0.01 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 1qgb s VAL 44 CO -0.01 0.54 0.23 0.00 0.00 0.00 0.00 175.10 175.86 1qgb s THR 46 N -2.03 -0.12 0.06 0.00 2.01 -0.52 -2.29 115.64 112.75 1qgb s THR 46 Ca 0.33 0.23 -0.28 0.00 0.31 0.00 0.00 61.69 62.28 1qgb s THR 46 Cb -0.09 -0.31 -0.05 0.00 0.01 0.00 0.00 72.50 72.07 1qgb s THR 46 CO 0.26 0.02 0.87 0.00 -0.69 0.00 0.00 174.62 175.08 1qgb n TYR 48 N 3.00 0.00 0.00 0.00 4.02 -1.26 0.14 117.16 123.06 1qgb n TYR 48 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 1qgb n TYR 48 Cb 0.50 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 39.71 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 2.69 2.28 2.67 2.72 0.00 -1.26 -4.50 105.19 109.80 1qgb n GLY 49 Ca -0.03 -1.85 -0.36 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.93 3.58 0.75 -0.02 0.00 -1.26 -3.24 105.19 103.07 1qgb n GLY 50 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.74 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 5.23 -0.89 0.24 1.61 7.64 -1.26 -4.83 113.62 121.36 1qgb n SER 51 Ca 0.56 0.38 0.11 0.00 1.01 0.00 0.00 58.87 60.93 1qgb n SER 51 Cb 0.28 1.08 0.60 0.00 -1.01 0.00 0.00 64.21 65.16 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 0.00 0.00 -1.89 1.43 2.47 -1.90 -3.49 114.38 111.00 1qgb h ARG 52 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1qgb h ARG 52 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1qgb h ARG 52 CO 0.00 0.18 -0.45 0.41 0.56 0.00 0.00 179.97 180.67 1qgb n GLY 53 N -0.37 -3.98 3.73 0.04 0.00 -1.20 -4.88 105.19 98.52 1qgb n GLY 53 Ca -0.01 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.07 3.28 -0.07 1.61 -0.12 -1.26 -4.63 117.98 114.72 1qgb s PHE 54 Ca 0.00 1.15 -0.00 0.00 -0.05 0.00 0.00 56.93 58.03 1qgb s PHE 54 Cb 0.00 -3.60 -0.03 0.00 -0.63 0.00 0.00 43.02 38.75 1qgb s PHE 54 CO 0.00 -1.96 -0.03 -0.80 -0.05 0.00 0.00 175.22 172.39 1qgb s ASN 55 N 0.63 4.99 0.42 1.98 0.02 -1.01 -4.82 114.94 117.15 1qgb s ASN 55 Ca 0.59 0.06 0.03 0.00 -1.02 0.00 0.00 52.86 52.53 1qgb s ASN 55 Cb -0.36 -1.34 -0.03 0.00 0.02 0.00 0.00 41.25 39.54 1qgb s ASN 55 CO 0.35 0.36 0.08 0.00 0.02 0.00 0.00 177.10 177.91 1qgb n GLU 57 N -0.95 -1.44 -1.71 0.00 0.28 -0.79 -4.93 120.64 111.10 1qgb n GLU 57 Ca -0.08 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.50 1qgb n GLU 57 Cb 0.66 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.54 1qgb n GLU 57 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1qgb n SER 58 N 0.37 2.75 -4.66 -1.84 7.64 -1.26 -0.31 113.62 116.31 1qgb n SER 58 Ca 0.00 1.14 -0.43 0.00 1.01 0.00 0.00 58.87 60.60 1qgb n SER 58 Cb 0.00 -1.51 -0.02 0.00 -1.01 0.00 0.00 64.21 61.66 1qgb n SER 58 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1qgb s LYS 59 N -2.13 4.17 0.42 1.43 2.20 -1.26 -4.57 119.74 119.99 1qgb s LYS 59 Ca 0.59 1.74 -0.23 0.00 -0.36 0.00 0.00 55.97 57.71 1qgb s LYS 59 Cb -0.52 -3.84 -0.13 0.00 -1.51 0.00 0.00 37.83 31.84 1qgb s LYS 59 CO 0.60 -0.81 0.57 -2.30 -0.36 0.00 0.00 175.35 173.05 1qgb n PRO 60 N 6.85 0.61 0.15 4.03 -0.02 -1.26 -4.87 135.00 140.49 1qgb n PRO 60 Ca 0.15 0.22 0.01 0.00 -2.02 0.00 0.00 63.50 61.87 1qgb n PRO 60 Cb 0.45 -1.53 0.33 0.00 -0.02 0.00 0.00 33.50 32.73 1qgb n PRO 60 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1qgb h GLU 61 N 0.85 0.09 -4.71 -0.52 5.08 -2.05 -3.44 114.58 109.88 1qgb h GLU 61 Ca -0.40 -0.03 -0.28 0.00 -1.00 0.00 0.00 59.36 57.64 1qgb h GLU 61 Cb 1.40 -0.01 -0.19 0.00 0.50 0.00 0.00 28.75 30.45 1qgb h GLU 61 CO 0.52 0.43 -0.73 0.00 -1.00 0.00 0.00 179.01 178.23 1qgb s ALA 62 N -4.27 0.82 -0.05 3.43 0.00 -1.26 -4.51 121.76 115.92 1qgb s ALA 62 Ca -0.04 -1.02 -0.07 0.00 0.00 0.00 0.00 51.96 50.84 1qgb s ALA 62 Cb 0.14 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.29 1qgb s ALA 62 CO 0.74 -0.07 -0.14 -1.91 0.00 0.00 0.00 175.76 174.38 1qgb n GLU 63 N 0.88 0.23 0.00 0.00 2.13 -1.26 -5.02 120.64 117.60 1qgb n GLU 63 Ca -0.19 0.09 0.00 0.00 0.66 0.00 0.00 57.16 57.73 1qgb n GLU 63 Cb 0.57 -0.89 0.00 0.00 0.27 0.00 0.00 31.44 31.39 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 -3.75 -2.19 -1.08 5.31 2.13 -1.26 -5.06 120.64 114.74 1qgb n GLU 64 Ca -0.12 0.00 0.15 0.00 0.66 0.00 0.00 57.16 57.85 1qgb n GLU 64 Cb 0.38 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.05 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 -0.43 0.00 0.00 6.31 -2.24 -1.26 -4.49 114.28 112.18 1qgb n THR 65 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1qgb n THR 65 Cb 0.00 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 1qgb n THR 65 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qgb s PHE 67 N 0.00 2.85 -1.13 0.00 2.19 -1.26 0.94 117.98 121.57 1qgb s PHE 67 Ca 0.00 0.22 -0.20 0.00 0.33 0.00 0.00 56.93 57.27 1qgb s PHE 67 Cb 0.00 -4.04 0.07 0.00 -1.31 0.00 0.00 43.02 37.74 1qgb s PHE 67 CO 0.00 -1.23 1.53 0.34 1.83 0.00 0.00 175.22 177.69 1qgb s ASP 68 N 2.54 6.67 0.99 6.13 -1.08 -1.23 -4.89 116.67 125.79 1qgb s ASP 68 Ca 0.34 -1.96 -0.22 0.00 -0.52 0.00 0.00 52.55 50.20 1qgb s ASP 68 Cb -0.11 -2.55 -0.17 0.00 -1.46 0.00 0.00 42.92 38.63 1qgb s ASP 68 CO 0.23 -1.30 -1.14 1.17 0.52 0.00 0.00 175.17 174.65 1qgb n LYS 69 N 8.33 0.00 0.00 4.34 4.81 -1.26 -0.55 118.16 133.83 1qgb n LYS 69 Ca 0.38 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.82 1qgb n LYS 69 Cb 0.49 -0.99 0.00 0.00 0.02 0.00 0.00 35.03 34.54 1qgb n LYS 69 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1qgb n TYR 70 N -2.92 0.00 -0.05 5.64 4.01 -1.26 -4.24 117.16 118.33 1qgb n TYR 70 Ca -0.02 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.64 1qgb n TYR 70 Cb 0.64 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.63 1qgb n TYR 70 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1qgb n THR 71 N 0.00 0.61 -0.48 -0.72 -1.04 -1.02 -5.03 114.28 106.60 1qgb n THR 71 Ca 0.00 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 1qgb n THR 71 Cb 0.00 -1.03 0.00 0.00 -1.82 0.00 0.00 70.33 67.48 1qgb n THR 71 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qgb n GLY 72 N 2.85 0.75 3.58 3.41 0.00 0.29 -5.01 105.19 111.06 1qgb n GLY 72 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.44 6.01 -0.15 1.61 0.01 -1.25 -4.68 114.94 114.05 1qgb s ASN 73 Ca 0.00 0.52 -0.34 0.00 -0.71 0.00 0.00 52.86 52.33 1qgb s ASN 73 Cb 0.00 -2.54 -0.11 0.00 0.41 0.00 0.00 41.25 39.01 1qgb s ASN 73 CO 0.00 -1.76 1.94 0.41 -1.51 0.00 0.00 177.10 176.18 1qgb n THR 74 N 7.02 0.50 -3.89 1.60 -1.04 -1.26 -3.58 114.28 113.63 1qgb n THR 74 Ca 0.16 -0.15 -0.26 0.00 -2.04 0.00 0.00 64.05 61.76 1qgb n THR 74 Cb 0.49 -1.86 -0.01 0.00 -1.82 0.00 0.00 70.33 67.13 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 4.79 1.75 -0.07 -1.42 2.02 0.27 -4.85 117.35 119.83 1qgb s TYR 75 Ca 0.96 -0.81 -0.03 0.00 -0.37 0.00 0.00 57.07 56.82 1qgb s TYR 75 Cb -0.71 -1.93 -0.04 0.00 -0.40 0.00 0.00 41.96 38.88 1qgb s TYR 75 CO 0.51 -0.41 0.06 1.03 -1.57 0.00 0.00 175.55 175.18 1qgb s ARG 76 N -4.24 3.12 0.55 -0.62 3.00 -1.26 0.60 118.95 120.10 1qgb s ARG 76 Ca 0.35 -0.36 0.36 0.00 0.00 0.00 0.00 55.73 56.08 1qgb s ARG 76 Cb -0.02 -2.91 1.53 0.00 0.00 0.00 0.00 34.95 33.55 1qgb s ARG 76 CO 0.21 0.71 1.78 -0.24 0.00 0.00 0.00 175.30 177.76 1qgb h VAL 77 N 3.83 0.37 -0.48 3.52 3.04 -1.64 1.10 116.25 125.99 1qgb h VAL 77 Ca -0.51 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.18 1qgb h VAL 77 Cb 1.20 0.39 0.00 0.00 -2.01 0.00 0.00 31.29 30.87 1qgb h VAL 77 CO 0.58 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.75 1qgb n GLY 78 N -1.75 3.04 3.23 3.17 0.00 -1.26 -4.50 105.19 107.12 1qgb n GLY 78 Ca 0.25 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.17 5.02 0.40 1.61 2.15 0.38 -5.06 116.67 120.00 1qgb s ASP 79 Ca 0.41 -1.13 -0.19 0.00 0.43 0.00 0.00 52.55 52.07 1qgb s ASP 79 Cb 0.27 -1.78 -0.10 0.00 -0.30 0.00 0.00 42.92 41.01 1qgb s ASP 79 CO 0.19 -0.27 0.88 0.42 -0.17 0.00 0.00 175.17 176.23 1qgb s THR 80 N 1.34 4.50 0.00 1.71 -4.23 -1.26 -3.78 115.64 113.91 1qgb s THR 80 Ca -0.03 1.28 0.00 0.00 -1.18 0.00 0.00 61.69 61.77 1qgb s THR 80 Cb -0.19 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.03 1qgb s THR 80 CO 0.00 -0.31 0.00 0.00 -0.54 0.00 0.00 174.62 173.77 1qgb n TYR 81 N -0.65 0.00 -0.26 3.99 4.11 -1.22 -4.98 117.16 118.15 1qgb n TYR 81 Ca 0.06 0.00 0.03 0.00 -0.00 0.00 0.00 57.90 57.99 1qgb n TYR 81 Cb 0.54 0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.86 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 -1.94 -0.59 -3.15 -3.48 2.13 -1.22 -5.00 120.64 107.40 1qgb n GLU 82 Ca 0.00 0.46 0.05 0.00 0.66 0.00 0.00 57.16 58.33 1qgb n GLU 82 Cb 0.42 -0.70 -0.01 0.00 0.27 0.00 0.00 31.44 31.42 1qgb n GLU 82 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1qgb s ARG 83 N -2.66 0.22 -0.90 5.31 1.81 -1.26 -4.88 118.95 116.59 1qgb s ARG 83 Ca 0.00 0.34 -0.25 0.00 -1.72 0.00 0.00 55.73 54.11 1qgb s ARG 83 Cb 0.00 0.18 -0.06 0.00 -0.45 0.00 0.00 34.95 34.63 1qgb s ARG 83 CO 0.00 -0.28 1.99 -1.25 -0.68 0.00 0.00 175.30 175.08 1qgb s PRO 84 N 2.94 2.47 -0.09 3.54 0.04 -1.26 -3.65 135.00 139.00 1qgb s PRO 84 Ca 0.06 -0.26 0.01 0.00 0.04 0.00 0.00 61.00 60.85 1qgb s PRO 84 Cb -0.09 -5.05 -0.03 0.00 0.04 0.00 0.00 34.50 29.38 1qgb s PRO 84 CO -0.15 -3.50 -0.09 0.15 0.04 0.00 0.00 177.00 173.46 1qgb s LYS 85 N 7.15 2.93 0.00 4.56 1.02 -1.26 -4.46 119.74 129.67 1qgb s LYS 85 Ca 0.72 -0.59 0.00 0.00 0.02 0.00 0.00 55.97 56.11 1qgb s LYS 85 Cb -0.07 -2.60 0.00 0.00 -0.52 0.00 0.00 37.83 34.64 1qgb s LYS 85 CO 0.01 0.53 0.00 -0.25 -0.92 0.00 0.00 175.35 174.71 1qgb n ASP 86 N 2.62 -4.29 -0.26 2.83 8.00 -1.26 -2.23 116.55 121.96 1qgb n ASP 86 Ca -0.18 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.29 1qgb n ASP 86 Cb 0.53 -2.19 -0.01 0.00 -0.02 0.00 0.00 41.12 39.43 1qgb n ASP 86 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1qgb n SER 87 N -0.53 -4.43 -0.04 -2.24 3.41 -1.26 -4.83 113.62 103.70 1qgb n SER 87 Ca 0.00 0.08 0.04 0.00 -0.26 0.00 0.00 58.87 58.73 1qgb n SER 87 Cb 0.26 -2.23 -0.15 0.00 -0.26 0.00 0.00 64.21 61.84 1qgb n SER 87 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1qgb n MET 88 N -1.54 0.74 -2.08 4.33 0.00 -0.95 -5.10 117.12 112.53 1qgb n MET 88 Ca -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 57.70 57.54 1qgb n MET 88 Cb 0.28 -1.47 0.00 0.00 0.00 0.00 0.00 33.22 32.04 1qgb n MET 88 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 1qgb n ILE 89 N -2.34-11.91 -3.79 1.12 -0.00 -1.21 -4.95 119.36 96.27 1qgb n ILE 89 Ca -0.12 3.31 -0.28 0.00 -0.00 0.00 0.00 62.75 65.65 1qgb n ILE 89 Cb 0.70 -5.08 -0.16 0.00 -0.00 0.00 0.00 39.64 35.11 1qgb n ILE 89 CO 0.00 0.00 0.00 0.26 -0.00 0.00 0.00 176.55 176.81 1qgb s TRP 90 N -0.86 1.44 -0.95 1.39 0.52 -1.24 -4.50 118.94 114.73 1qgb s TRP 90 Ca 0.00 -1.14 -0.24 0.00 0.02 0.00 0.00 56.10 54.74 1qgb s TRP 90 Cb 0.00 -1.20 -0.22 0.00 -1.15 0.00 0.00 33.47 30.90 1qgb s TRP 90 CO 0.00 -0.66 1.98 -0.25 0.02 0.00 0.00 176.95 178.04 1qgb n ASP 91 N 4.94 0.95 -4.85 2.95 8.00 0.31 -3.99 116.55 124.86 1qgb n ASP 91 Ca -0.10 -2.37 -0.32 0.00 0.71 0.00 0.00 54.79 52.72 1qgb n ASP 91 Cb 0.46 -1.59 -0.05 0.00 -0.02 0.00 0.00 41.12 39.92 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 -2.32 1.45 -0.97 0.00 2.01 -0.69 -3.36 115.64 111.75 1qgb s THR 93 Ca 0.57 -0.63 -0.24 0.00 0.31 0.00 0.00 61.69 61.70 1qgb s THR 93 Cb -0.10 -1.32 -0.21 0.00 0.01 0.00 0.00 72.50 70.88 1qgb s THR 93 CO 0.24 0.43 2.00 0.00 -0.69 0.00 0.00 174.62 176.60 1qgb s ILE 95 N 15.65 5.33 0.00 0.00 1.01 -1.26 -3.74 121.20 138.19 1qgb s ILE 95 Ca 0.73 0.35 0.00 0.00 0.00 0.00 0.00 60.65 61.74 1qgb s ILE 95 Cb -0.05 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.89 1qgb s ILE 95 CO 0.17 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.25 1qgb n GLY 96 N 1.67 3.44 2.63 6.18 0.00 -1.26 -1.56 105.19 116.29 1qgb n GLY 96 Ca -0.16 -1.86 -0.40 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.37 6.35 -0.36 4.61 0.00 -1.26 -4.57 120.51 123.91 1qgb n ALA 97 Ca 0.00 -4.30 0.00 0.00 0.00 0.00 0.00 53.44 49.14 1qgb n ALA 97 Cb 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.15 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 0.38 0.79 0.00 0.00 0.00 -1.26 -4.74 105.19 100.36 1qgb n GLY 98 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1qgb n GLY 98 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1qgb n ARG 99 N -2.29 0.00 0.00 1.61 1.85 -1.26 -4.54 116.66 112.03 1qgb n ARG 99 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1qgb n ARG 99 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1qgb n ARG 99 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1qgb n GLY 100 N 0.00 1.13 2.95 2.89 0.00 -1.25 -5.02 105.19 105.88 1qgb n GLY 100 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1qgb n GLY 100 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1qgb s ARG 101 N -0.05 0.13 -0.54 1.61 1.04 -0.60 -4.94 118.95 115.60 1qgb s ARG 101 Ca 0.00 0.03 -0.26 0.00 -1.04 0.00 0.00 55.73 54.45 1qgb s ARG 101 Cb 0.00 0.03 -0.08 0.00 -2.04 0.00 0.00 34.95 32.86 1qgb s ARG 101 CO 0.00 -0.22 2.44 -0.89 -0.04 0.00 0.00 175.30 176.59 1qgb n ILE 102 N 4.37 -0.08 -2.34 4.99 2.08 -1.20 -4.44 119.36 122.73 1qgb n ILE 102 Ca 0.08 -0.74 -0.42 0.00 0.56 0.00 0.00 62.75 62.22 1qgb n ILE 102 Cb 0.61 -2.61 -0.03 0.00 -0.75 0.00 0.00 39.64 36.86 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 11.96 6.95 0.32 4.38 0.15 -1.22 -4.79 113.70 131.46 1qgb s SER 103 Ca 1.00 1.97 0.08 0.00 0.70 0.00 0.00 55.95 59.70 1qgb s SER 103 Cb -0.24 -2.56 -0.03 0.00 -1.71 0.00 0.00 66.02 61.47 1qgb s SER 103 CO 0.27 -0.64 0.21 0.00 1.20 0.00 0.00 173.24 174.28 1qgb s THR 105 N -2.33 0.00 0.15 0.00 -1.32 -1.25 -4.92 115.64 105.97 1qgb s THR 105 Ca 0.38 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.59 1qgb s THR 105 Cb -0.05 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.87 1qgb s THR 105 CO 0.25 0.00 0.85 -0.63 -2.21 0.00 0.00 174.62 172.88 1qgb s ILE 106 N -0.96 4.40 -0.03 5.08 1.01 -1.26 0.11 121.20 129.54 1qgb s ILE 106 Ca 0.08 1.86 -0.28 0.00 0.00 0.00 0.00 60.65 62.31 1qgb s ILE 106 Cb -0.01 -4.22 0.06 0.00 0.01 0.00 0.00 42.46 38.30 1qgb s ILE 106 CO -0.08 0.44 0.61 0.00 0.00 0.00 0.00 174.94 175.92 1qgb s ALA 107 N -0.70 -1.59 0.00 9.38 0.00 -1.26 -4.89 121.76 122.70 1qgb s ALA 107 Ca 0.40 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.47 1qgb s ALA 107 Cb -0.23 0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.94 1qgb s ALA 107 CO 0.28 -0.37 0.00 -1.71 0.00 0.00 0.00 175.76 173.96 1qgb n ASN 108 N 0.91 0.00 0.00 0.00 5.15 -1.26 -4.86 115.26 115.20 1qgb n ASN 108 Ca -0.19 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.79 1qgb n ASN 108 Cb 0.57 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.82 1qgb n ASN 108 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52