#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 0.16 0.65 -1.46 -2.85 -1.26 -5.15 119.74 109.82 1qgb s LYS 18 Ca 0.00 0.12 -0.11 0.00 -1.00 0.00 0.00 55.97 54.98 1qgb s LYS 18 Cb 0.00 -1.36 -0.02 0.00 -2.06 0.00 0.00 37.83 34.39 1qgb s LYS 18 CO 0.00 -0.67 1.04 -1.25 0.10 0.00 0.00 175.35 174.57 1qgb s PRO 19 N 2.28 3.35 0.00 1.78 0.04 -1.26 -4.96 135.00 136.23 1qgb s PRO 19 Ca 0.06 0.83 0.00 0.00 0.04 0.00 0.00 61.00 61.93 1qgb s PRO 19 Cb -0.16 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1qgb s PRO 19 CO -0.12 -0.77 0.00 0.41 0.04 0.00 0.00 177.00 176.57 1qgb n GLY 20 N -2.43 0.74 2.69 0.56 0.00 -1.26 -4.98 105.19 100.50 1qgb n GLY 20 Ca 0.07 -1.68 -0.10 0.00 0.00 0.00 0.00 46.02 44.31 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 0.97 0.63 -3.57 0.00 4.01 -1.26 -4.52 117.16 113.42 1qgb n TYR 22 Ca 0.09 0.82 -0.00 0.00 -0.16 0.00 0.00 57.90 58.64 1qgb n TYR 22 Cb 0.66 -2.15 -0.04 0.00 -0.31 0.00 0.00 39.34 37.50 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 -0.53 -0.98 -1.34 7.72 -1.08 0.03 -4.92 116.67 115.56 1qgb s ASP 23 Ca 0.66 1.33 -0.01 0.00 -0.52 0.00 0.00 52.55 54.02 1qgb s ASP 23 Cb -0.86 2.11 0.00 0.00 -1.46 0.00 0.00 42.92 42.72 1qgb s ASP 23 CO 0.56 -0.19 0.04 -3.20 0.52 0.00 0.00 175.17 172.91 1qgb n ASN 24 N 5.31 -4.69 0.00 -0.34 5.15 -1.26 0.21 115.26 119.64 1qgb n ASN 24 Ca -0.11 0.08 0.00 0.00 -0.60 0.00 0.00 54.58 53.95 1qgb n ASN 24 Cb 0.50 -3.94 0.00 0.00 -0.53 0.00 0.00 39.78 35.81 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 -0.92 2.19 3.70 8.20 0.00 -1.26 -5.01 105.19 112.09 1qgb n GLY 25 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.28 4.26 -0.51 1.61 3.01 0.13 -5.04 119.74 122.92 1qgb s LYS 26 Ca 0.00 0.27 -0.00 0.00 -1.01 0.00 0.00 55.97 55.22 1qgb s LYS 26 Cb 0.00 -3.47 0.13 0.00 -1.01 0.00 0.00 37.83 33.48 1qgb s LYS 26 CO 0.00 0.10 0.28 -1.58 0.51 0.00 0.00 175.35 174.66 1qgb s HIS 27 N 0.86 3.46 0.00 3.18 2.46 -1.26 -0.79 115.29 123.19 1qgb s HIS 27 Ca 0.21 -2.77 0.00 0.00 0.47 0.00 0.00 55.06 52.97 1qgb s HIS 27 Cb -0.14 -3.09 0.00 0.00 -0.13 0.00 0.00 32.58 29.22 1qgb s HIS 27 CO 0.08 -0.87 0.00 0.66 -2.47 0.00 0.00 174.74 172.14 1qgb n TYR 28 N 3.81 -3.51 -4.27 3.88 4.02 -1.26 -4.97 117.16 114.85 1qgb n TYR 28 Ca 0.04 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.58 1qgb n TYR 28 Cb 0.38 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.61 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 -2.59 3.01 0.46 -0.72 0.74 -1.26 -4.36 119.66 114.94 1qgb s GLN 29 Ca 0.00 -0.42 -0.22 0.00 0.05 0.00 0.00 55.36 54.77 1qgb s GLN 29 Cb 0.00 -2.82 -0.11 0.00 1.10 0.00 0.00 33.01 31.18 1qgb s GLN 29 CO 0.00 0.69 0.69 -0.89 -0.55 0.00 0.00 175.29 175.23 1qgb n ILE 30 N 1.89 2.15 -1.10 -2.34 -0.00 -1.26 -0.86 119.36 117.84 1qgb n ILE 30 Ca -0.17 -0.50 -0.03 0.00 -0.00 0.00 0.00 62.75 62.04 1qgb n ILE 30 Cb 0.53 -0.76 -0.01 0.00 -0.00 0.00 0.00 39.64 39.40 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 0.82 -4.80 -4.92 4.38 3.02 -1.18 -4.96 115.26 107.62 1qgb n ASN 31 Ca 0.11 0.09 -0.30 0.00 -0.03 0.00 0.00 54.58 54.45 1qgb n ASN 31 Cb 0.41 -2.60 -0.04 0.00 -0.61 0.00 0.00 39.78 36.94 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 -1.74 3.49 0.15 3.52 0.74 -0.04 -4.82 119.66 120.95 1qgb s GLN 32 Ca 0.00 -0.39 0.09 0.00 0.05 0.00 0.00 55.36 55.11 1qgb s GLN 32 Cb 0.00 -2.96 -0.04 0.00 1.10 0.00 0.00 33.01 31.11 1qgb s GLN 32 CO 0.00 0.53 -0.12 -0.65 -0.55 0.00 0.00 175.29 174.51 1qgb s GLN 33 N -2.80 2.00 0.37 1.67 -0.21 -1.26 -1.42 119.66 118.00 1qgb s GLN 33 Ca 0.37 -1.20 -0.08 0.00 0.02 0.00 0.00 55.36 54.47 1qgb s GLN 33 Cb -0.12 -2.18 0.03 0.00 1.00 0.00 0.00 33.01 31.74 1qgb s GLN 33 CO 0.28 0.46 0.61 1.67 -2.12 0.00 0.00 175.29 176.19 1qgb s TRP 34 N -1.46 0.69 -0.17 0.91 -2.14 -0.86 -5.01 118.94 110.90 1qgb s TRP 34 Ca 0.22 -1.11 -0.04 0.00 2.66 0.00 0.00 56.10 57.84 1qgb s TRP 34 Cb -0.10 0.30 -0.02 0.00 -3.10 0.00 0.00 33.47 30.55 1qgb s TRP 34 CO 0.14 -1.34 -0.04 -2.00 -2.66 0.00 0.00 176.95 171.05 1qgb s GLU 35 N -2.68 3.60 0.29 3.25 2.12 -1.26 -1.51 118.70 122.51 1qgb s GLU 35 Ca 0.24 -0.55 0.02 0.00 0.36 0.00 0.00 54.97 55.05 1qgb s GLU 35 Cb -0.02 -2.93 -0.05 0.00 0.26 0.00 0.00 34.13 31.39 1qgb s GLU 35 CO 0.17 0.14 0.11 0.50 -0.54 0.00 0.00 175.26 175.64 1qgb s ARG 36 N 0.62 1.53 -0.01 4.30 3.52 0.31 -4.95 118.95 124.28 1qgb s ARG 36 Ca -0.03 -1.85 0.02 0.00 -0.13 0.00 0.00 55.73 53.74 1qgb s ARG 36 Cb -0.14 -0.35 -0.00 0.00 -1.56 0.00 0.00 34.95 32.90 1qgb s ARG 36 CO 0.02 -0.33 -0.06 -0.08 -0.81 0.00 0.00 175.30 174.04 1qgb s THR 37 N -3.61 0.48 -0.09 4.11 -1.32 -1.26 0.26 115.64 114.21 1qgb s THR 37 Ca 0.36 -0.26 0.02 0.00 -1.21 0.00 0.00 61.69 60.60 1qgb s THR 37 Cb 0.07 -0.41 0.01 0.00 -1.51 0.00 0.00 72.50 70.66 1qgb s THR 37 CO 0.15 0.14 -0.14 -0.47 -2.21 0.00 0.00 174.62 172.09 1qgb s TYR 38 N -0.13 1.75 -1.67 9.09 5.04 -0.73 -4.70 117.35 126.00 1qgb s TYR 38 Ca 0.02 -0.77 0.00 0.00 -2.44 0.00 0.00 57.07 53.88 1qgb s TYR 38 Cb -0.02 -1.29 0.00 0.00 0.35 0.00 0.00 41.96 41.00 1qgb s TYR 38 CO -0.00 -0.41 0.00 1.28 -1.34 0.00 0.00 175.55 175.08 1qgb n LEU 39 N 4.12 -1.59 -1.20 6.97 7.99 -1.26 -2.45 117.00 129.57 1qgb n LEU 39 Ca -0.20 0.18 -0.04 0.00 -0.01 0.00 0.00 56.01 55.94 1qgb n LEU 39 Cb 0.51 -2.55 0.02 0.00 -0.11 0.00 0.00 43.42 41.29 1qgb n LEU 39 CO 0.24 -0.50 0.04 0.61 -1.51 0.00 0.00 177.39 176.27 1qgb n GLY 40 N -0.92 0.56 3.01 -0.72 0.00 -1.26 -5.06 105.19 100.79 1qgb n GLY 40 Ca -0.20 -0.46 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.12 -0.20 0.61 1.61 0.02 -1.03 -5.14 114.94 107.69 1qgb s ASN 41 Ca 0.08 0.45 -0.15 0.00 -1.02 0.00 0.00 52.86 52.22 1qgb s ASN 41 Cb -0.03 0.34 -0.13 0.00 0.02 0.00 0.00 41.25 41.44 1qgb s ASN 41 CO 0.14 -0.16 -0.35 0.00 0.02 0.00 0.00 177.10 176.75 1qgb n ALA 42 N 4.24 -3.77 -3.55 0.60 0.00 -1.26 -1.77 120.51 114.99 1qgb n ALA 42 Ca -0.25 -0.26 -0.07 0.00 0.00 0.00 0.00 53.44 52.86 1qgb n ALA 42 Cb 0.52 -1.14 -0.02 0.00 0.00 0.00 0.00 19.45 18.82 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 5.42 -0.28 0.18 0.00 2.96 0.71 -4.58 118.68 123.10 1qgb s LEU 43 Ca 0.44 -0.04 0.09 0.00 -0.22 0.00 0.00 54.13 54.40 1qgb s LEU 43 Cb -0.33 1.85 -0.04 0.00 0.50 0.00 0.00 46.19 48.17 1qgb s LEU 43 CO 0.64 -0.53 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.26 1qgb s VAL 44 N -2.93 1.91 0.02 1.68 1.01 0.14 0.11 120.40 122.34 1qgb s VAL 44 Ca 0.07 -1.99 0.00 0.00 0.00 0.00 0.00 61.98 60.06 1qgb s VAL 44 Cb -0.01 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 1qgb s VAL 44 CO -0.07 -0.33 -0.04 0.00 0.00 0.00 0.00 175.10 174.67 1qgb s THR 46 N -1.56 0.57 0.66 0.00 2.01 -1.24 -2.03 115.64 114.05 1qgb s THR 46 Ca -0.14 -0.24 -0.14 0.00 0.31 0.00 0.00 61.69 61.48 1qgb s THR 46 Cb -0.09 -0.84 -0.00 0.00 0.01 0.00 0.00 72.50 71.58 1qgb s THR 46 CO -0.01 0.09 1.09 0.00 -0.69 0.00 0.00 174.62 175.09 1qgb n TYR 48 N -2.57 0.00 0.00 0.00 4.02 -1.26 -3.08 117.16 114.27 1qgb n TYR 48 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.98 1qgb n TYR 48 Cb 0.53 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.81 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 3.09 -0.39 3.93 2.72 0.00 -1.26 -4.21 105.19 109.08 1qgb n GLY 49 Ca -0.02 0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.24 2.10 -0.02 0.00 -0.38 -4.78 105.19 101.87 1qgb n GLY 50 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.99 -1.86 0.12 1.61 2.88 -1.26 -4.91 113.62 107.21 1qgb n SER 51 Ca -0.31 0.61 -0.00 0.00 -1.33 0.00 0.00 58.87 57.83 1qgb n SER 51 Cb 0.68 1.86 0.27 0.00 -0.75 0.00 0.00 64.21 66.28 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 0.16 0.00 -1.46 2.47 -1.95 -3.47 114.38 110.13 1qgb h ARG 52 Ca 0.00 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 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 0.54 0.00 0.41 0.56 0.00 0.00 179.97 181.48 1qgb n GLY 53 N -0.28 0.80 1.48 0.04 0.00 -1.26 -4.89 105.19 101.07 1qgb n GLY 53 Ca -0.01 -0.60 0.02 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.68 -3.52 -3.83 1.61 1.16 -1.26 -4.93 117.46 104.02 1qgb n PHE 54 Ca 0.00 1.91 -0.29 0.00 -1.87 0.00 0.00 57.45 57.20 1qgb n PHE 54 Cb 0.13 -2.97 -0.16 0.00 -1.61 0.00 0.00 39.48 34.87 1qgb n PHE 54 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1qgb s ASN 55 N -5.37 3.40 0.74 5.98 4.22 -1.19 -4.96 114.94 117.76 1qgb s ASN 55 Ca 0.00 -1.03 -0.08 0.00 -2.14 0.00 0.00 52.86 49.61 1qgb s ASN 55 Cb 0.00 -0.87 0.07 0.00 1.28 0.00 0.00 41.25 41.73 1qgb s ASN 55 CO 0.00 -0.28 1.07 0.00 -2.04 0.00 0.00 177.10 175.85 1qgb n GLU 57 N -3.05 0.00 -1.23 0.00 0.28 -0.11 -4.96 120.64 111.57 1qgb n GLU 57 Ca 0.08 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.74 1qgb n GLU 57 Cb 0.61 0.00 0.11 0.00 1.43 0.00 0.00 31.44 33.59 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 0.85 -4.72 -1.84 2.88 -1.26 -0.69 113.62 108.85 1qgb n SER 58 Ca 0.00 0.62 -0.42 0.00 -1.33 0.00 0.00 58.87 57.75 1qgb n SER 58 Cb 0.00 -1.47 -0.04 0.00 -0.75 0.00 0.00 64.21 61.95 1qgb n SER 58 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1qgb s LYS 59 N -3.79 4.62 0.17 -1.46 2.47 -1.26 -4.71 119.74 115.76 1qgb s LYS 59 Ca 0.74 1.44 0.16 0.00 -1.56 0.00 0.00 55.97 56.75 1qgb s LYS 59 Cb -0.31 -3.43 0.76 0.00 -1.46 0.00 0.00 37.83 33.39 1qgb s LYS 59 CO 0.50 0.06 1.50 -0.35 0.16 0.00 0.00 175.35 177.22 1qgb n PRO 60 N 3.44 0.10 -4.28 4.03 -0.04 -1.26 -4.86 135.00 132.14 1qgb n PRO 60 Ca 0.05 0.46 -0.33 0.00 -0.04 0.00 0.00 63.50 63.63 1qgb n PRO 60 Cb 0.50 -1.74 -0.09 0.00 -0.04 0.00 0.00 33.50 32.13 1qgb n PRO 60 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1qgb n GLU 61 N -1.94 -0.86 -4.52 0.54 2.13 -1.26 -4.91 120.64 109.82 1qgb n GLU 61 Ca 0.01 0.10 -0.26 0.00 0.66 0.00 0.00 57.16 57.67 1qgb n GLU 61 Cb 0.12 -3.77 -0.10 0.00 0.27 0.00 0.00 31.44 27.95 1qgb n GLU 61 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1qgb s ALA 62 N -3.87 3.09 -0.01 4.31 0.00 -1.26 -5.04 121.76 118.97 1qgb s ALA 62 Ca 0.29 -2.14 0.05 0.00 0.00 0.00 0.00 51.96 50.16 1qgb s ALA 62 Cb -0.17 -0.05 -0.07 0.00 0.00 0.00 0.00 23.12 22.83 1qgb s ALA 62 CO 0.95 0.01 0.09 -1.91 0.00 0.00 0.00 175.76 174.90 1qgb n GLU 63 N -0.89 0.59 -3.02 0.00 2.13 -1.26 -5.11 120.64 113.07 1qgb n GLU 63 Ca -0.05 -0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.74 1qgb n GLU 63 Cb 0.64 -1.11 0.00 0.00 0.27 0.00 0.00 31.44 31.24 1qgb n GLU 63 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1qgb n GLU 64 N -1.73 -0.65 -3.60 5.31 -0.58 -1.26 -4.69 120.64 113.43 1qgb n GLU 64 Ca -0.02 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.56 1qgb n GLU 64 Cb 0.19 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 30.99 1qgb n GLU 64 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1qgb s THR 65 N -3.00 0.01 0.30 2.62 -4.23 -1.26 -3.77 115.64 106.30 1qgb s THR 65 Ca 0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.46 1qgb s THR 65 Cb 0.00 -0.92 -0.00 0.00 1.34 0.00 0.00 72.50 72.92 1qgb s THR 65 CO 0.00 -0.03 0.01 0.00 -0.54 0.00 0.00 174.62 174.06 1qgb s PHE 67 N -2.16 0.32 -0.83 0.00 5.36 -1.26 -3.51 117.98 115.90 1qgb s PHE 67 Ca 0.02 0.01 -0.18 0.00 -0.96 0.00 0.00 56.93 55.81 1qgb s PHE 67 Cb 0.00 -0.46 0.14 0.00 -0.34 0.00 0.00 43.02 42.36 1qgb s PHE 67 CO 0.01 -0.16 0.98 0.34 -1.46 0.00 0.00 175.22 174.93 1qgb s ASP 68 N 1.24 6.54 0.60 6.13 2.15 -1.11 -4.87 116.67 127.34 1qgb s ASP 68 Ca -0.07 -1.96 0.28 0.00 0.43 0.00 0.00 52.55 51.24 1qgb s ASP 68 Cb -0.13 -2.35 1.29 0.00 -0.30 0.00 0.00 42.92 41.42 1qgb s ASP 68 CO -0.02 -1.02 1.68 0.07 -0.17 0.00 0.00 175.17 175.70 1qgb h LYS 69 N 8.77 0.00 -0.81 4.34 2.10 -1.97 -0.32 116.57 128.68 1qgb h LYS 69 Ca 0.03 0.00 0.08 0.00 -2.00 0.00 0.00 60.65 58.76 1qgb h LYS 69 Cb 1.04 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 32.27 1qgb h LYS 69 CO 1.05 0.00 -0.46 0.66 -2.00 0.00 0.00 179.45 178.70 1qgb n TYR 70 N -3.51 -0.32 -2.04 0.07 4.02 -1.26 -4.04 117.16 110.09 1qgb n TYR 70 Ca 0.14 1.02 -0.07 0.00 -0.01 0.00 0.00 57.90 58.98 1qgb n TYR 70 Cb 0.99 -0.59 -0.06 0.00 -0.02 0.00 0.00 39.34 39.66 1qgb n TYR 70 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1qgb n THR 71 N -5.04 0.00 -2.10 -0.72 -1.04 -0.95 -5.05 114.28 99.39 1qgb n THR 71 Ca 0.02 -0.06 -0.01 0.00 -2.04 0.00 0.00 64.05 61.96 1qgb n THR 71 Cb 0.22 0.53 0.00 0.00 -1.82 0.00 0.00 70.33 69.27 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 -0.07 -0.80 2.50 3.41 0.00 -0.17 -5.06 105.19 105.00 1qgb n GLY 72 Ca -0.27 0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.07 3.11 0.26 1.61 -0.87 -1.16 -4.93 114.94 110.90 1qgb s ASN 73 Ca 0.05 -2.17 -0.29 0.00 -1.57 0.00 0.00 52.86 48.87 1qgb s ASN 73 Cb -0.01 -0.48 -0.10 0.00 -0.02 0.00 0.00 41.25 40.64 1qgb s ASN 73 CO 0.31 -0.31 1.28 -0.89 -2.57 0.00 0.00 177.10 174.92 1qgb s THR 74 N 1.06 3.04 0.15 1.60 2.01 -1.26 -2.74 115.64 119.50 1qgb s THR 74 Ca 0.17 0.95 0.07 0.00 0.31 0.00 0.00 61.69 63.19 1qgb s THR 74 Cb -0.23 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 1qgb s THR 74 CO -0.02 0.19 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.62 1qgb s TYR 75 N -0.54 1.64 -0.09 4.92 2.02 -1.23 -4.97 117.35 119.10 1qgb s TYR 75 Ca 0.52 -0.52 -0.26 0.00 -0.37 0.00 0.00 57.07 56.45 1qgb s TYR 75 Cb -0.37 -0.83 -0.03 0.00 -0.40 0.00 0.00 41.96 40.33 1qgb s TYR 75 CO 0.44 0.26 0.81 1.03 -1.57 0.00 0.00 175.55 176.52 1qgb s ARG 76 N -2.85 4.42 0.58 -0.62 0.52 -1.26 -2.49 118.95 117.25 1qgb s ARG 76 Ca 0.14 1.06 0.33 0.00 -0.52 0.00 0.00 55.73 56.74 1qgb s ARG 76 Cb -0.05 -3.49 1.32 0.00 0.52 0.00 0.00 34.95 33.25 1qgb s ARG 76 CO 0.05 -0.10 1.59 0.28 0.02 0.00 0.00 175.30 177.15 1qgb h VAL 77 N 4.92 0.17 -0.43 3.52 2.07 -1.72 1.02 116.25 125.79 1qgb h VAL 77 Ca -0.37 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 66.97 1qgb h VAL 77 Cb 1.18 0.24 -0.10 0.00 -1.52 0.00 0.00 31.29 31.08 1qgb h VAL 77 CO 0.78 0.00 0.22 0.61 0.02 0.00 0.00 177.57 179.21 1qgb n GLY 78 N -1.71 2.93 3.57 2.17 0.00 -1.26 -4.76 105.19 106.13 1qgb n GLY 78 Ca 0.23 -0.52 -0.11 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.24 -0.78 0.34 1.61 2.15 0.35 -5.16 116.67 114.95 1qgb s ASP 79 Ca 0.28 1.37 0.08 0.00 0.43 0.00 0.00 52.55 54.71 1qgb s ASP 79 Cb 0.23 1.31 -0.04 0.00 -0.30 0.00 0.00 42.92 44.12 1qgb s ASP 79 CO 0.06 -0.23 0.16 0.28 -0.17 0.00 0.00 175.17 175.27 1qgb s THR 80 N 0.99 3.04 0.27 1.71 -1.32 -1.26 -3.85 115.64 115.21 1qgb s THR 80 Ca -0.05 -1.66 -0.01 0.00 -1.21 0.00 0.00 61.69 58.75 1qgb s THR 80 Cb -0.05 -2.99 -0.02 0.00 -1.51 0.00 0.00 72.50 67.92 1qgb s THR 80 CO -0.09 -0.17 0.30 -0.72 -2.21 0.00 0.00 174.62 171.72 1qgb s TYR 81 N -2.42 1.14 -0.22 9.09 1.13 -0.97 -4.99 117.35 120.11 1qgb s TYR 81 Ca 0.38 -1.31 -0.03 0.00 -1.41 0.00 0.00 57.07 54.69 1qgb s TYR 81 Cb -0.03 -0.37 0.11 0.00 -1.10 0.00 0.00 41.96 40.58 1qgb s TYR 81 CO 0.23 -0.86 0.31 -1.83 -2.51 0.00 0.00 175.55 170.89 1qgb s GLU 82 N -3.74 0.27 0.02 -3.49 1.03 -1.26 -1.82 118.70 109.71 1qgb s GLU 82 Ca 0.35 0.42 0.06 0.00 0.03 0.00 0.00 54.97 55.82 1qgb s GLU 82 Cb 0.03 -0.75 -0.02 0.00 -0.80 0.00 0.00 34.13 32.59 1qgb s GLU 82 CO 0.17 -0.62 -0.17 1.03 -1.33 0.00 0.00 175.26 174.34 1qgb s ARG 83 N 2.45 1.22 0.30 -4.83 1.81 -1.18 -4.94 118.95 113.77 1qgb s ARG 83 Ca 0.09 -0.77 -0.29 0.00 -1.72 0.00 0.00 55.73 53.05 1qgb s ARG 83 Cb -0.15 -1.25 -0.10 0.00 -0.45 0.00 0.00 34.95 33.00 1qgb s ARG 83 CO -0.14 0.32 1.29 -1.25 -0.68 0.00 0.00 175.30 174.85 1qgb s PRO 84 N -0.91 4.39 -0.28 3.54 0.04 -1.26 -3.39 135.00 137.13 1qgb s PRO 84 Ca 0.05 2.15 -0.19 0.00 0.04 0.00 0.00 61.00 63.05 1qgb s PRO 84 Cb -0.08 -3.10 0.08 0.00 0.04 0.00 0.00 34.50 31.44 1qgb s PRO 84 CO 0.01 -0.16 0.72 0.21 0.04 0.00 0.00 177.00 177.82 1qgb s LYS 85 N -1.45 0.74 -1.22 4.56 2.36 0.48 -4.94 119.74 120.26 1qgb s LYS 85 Ca 0.50 1.12 -0.02 0.00 -2.55 0.00 0.00 55.97 55.02 1qgb s LYS 85 Cb -0.38 0.23 -0.01 0.00 -1.05 0.00 0.00 37.83 36.62 1qgb s LYS 85 CO 0.49 -0.13 0.84 -0.25 1.55 0.00 0.00 175.35 177.85 1qgb n ASP 86 N 3.71 -2.52 -1.73 1.43 9.92 -1.26 -1.06 116.55 125.03 1qgb n ASP 86 Ca -0.18 -0.75 -0.14 0.00 -0.53 0.00 0.00 54.79 53.19 1qgb n ASP 86 Cb 0.58 -4.52 -0.04 0.00 -0.64 0.00 0.00 41.12 36.49 1qgb n ASP 86 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1qgb n SER 87 N -3.08 -3.90 -3.74 -2.24 3.41 -1.26 -4.90 113.62 97.91 1qgb n SER 87 Ca -0.25 0.29 -0.13 0.00 -0.26 0.00 0.00 58.87 58.51 1qgb n SER 87 Cb 0.66 -3.50 -0.10 0.00 -0.26 0.00 0.00 64.21 61.02 1qgb n SER 87 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1qgb s MET 88 N -3.77 0.54 -0.11 4.33 0.00 -0.22 -5.16 119.30 114.90 1qgb s MET 88 Ca 0.00 0.28 -0.02 0.00 0.00 0.00 0.00 55.69 55.95 1qgb s MET 88 Cb 0.00 0.25 -0.03 0.00 0.00 0.00 0.00 34.83 35.05 1qgb s MET 88 CO 0.00 -0.11 -0.03 0.42 0.00 0.00 0.00 175.02 175.31 1qgb s ILE 89 N -0.36 4.02 -0.00 10.11 1.01 -1.26 0.18 121.20 134.90 1qgb s ILE 89 Ca -0.05 -0.34 0.04 0.00 0.00 0.00 0.00 60.65 60.30 1qgb s ILE 89 Cb -0.03 -2.70 -0.01 0.00 0.01 0.00 0.00 42.46 39.72 1qgb s ILE 89 CO 0.02 0.56 -0.12 0.26 0.00 0.00 0.00 174.94 175.67 1qgb s TRP 90 N -0.43 1.04 -0.43 3.97 0.52 -1.22 -4.32 118.94 118.07 1qgb s TRP 90 Ca 0.07 -0.22 -0.07 0.00 0.02 0.00 0.00 56.10 55.91 1qgb s TRP 90 Cb -0.12 -0.66 -0.22 0.00 -1.15 0.00 0.00 33.47 31.32 1qgb s TRP 90 CO 0.02 -0.01 3.39 -0.25 0.02 0.00 0.00 176.95 180.12 1qgb n ASP 91 N 2.67 6.05 -4.34 2.95 9.92 0.92 -3.13 116.55 131.60 1qgb n ASP 91 Ca -0.14 -2.49 -0.60 0.00 -0.53 0.00 0.00 54.79 51.03 1qgb n ASP 91 Cb 0.56 -1.43 -0.11 0.00 -0.64 0.00 0.00 41.12 39.50 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 5.37 -0.47 0.00 2.01 0.76 -2.28 115.64 126.81 1qgb s THR 93 Ca 1.17 0.35 -0.07 0.00 0.31 0.00 0.00 61.69 63.44 1qgb s THR 93 Cb -1.42 -3.52 -0.07 0.00 0.01 0.00 0.00 72.50 67.50 1qgb s THR 93 CO 0.66 0.47 1.62 0.00 -0.69 0.00 0.00 174.62 176.68 1qgb s ILE 95 N 4.51 3.47 0.00 0.00 1.01 -1.26 -4.16 121.20 124.76 1qgb s ILE 95 Ca 0.29 0.40 0.00 0.00 0.00 0.00 0.00 60.65 61.34 1qgb s ILE 95 Cb 0.07 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.70 1qgb s ILE 95 CO 0.03 -0.68 0.00 0.61 0.00 0.00 0.00 174.94 174.90 1qgb n GLY 96 N 5.51 3.98 5.16 6.18 0.00 -1.26 0.14 105.19 124.91 1qgb n GLY 96 Ca 0.21 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 -3.68 4.61 0.00 -1.26 -2.13 120.51 115.04 1qgb n ALA 97 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1qgb n ALA 97 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1qgb n ALA 97 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1qgb s GLY 98 N 0.00 2.18 -0.64 0.00 0.00 -1.26 -4.82 107.32 102.77 1qgb s GLY 98 Ca 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 44.72 41.49 1qgb s GLY 98 CO 0.00 1.53 0.00 0.54 0.00 0.00 0.00 173.10 175.17 1qgb n ARG 99 N 2.38 -1.57 -0.28 2.90 1.74 -1.26 -4.85 116.66 115.72 1qgb n ARG 99 Ca 0.24 0.67 -0.01 0.00 -0.77 0.00 0.00 57.85 57.98 1qgb n ARG 99 Cb 0.40 -4.95 0.06 0.00 -1.02 0.00 0.00 32.46 26.95 1qgb n ARG 99 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1qgb h GLY 100 N 0.00 0.26 -3.46 -0.13 0.00 -1.61 -3.48 103.07 94.66 1qgb h GLY 100 Ca -0.12 0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1qgb h GLY 100 CO 0.18 -0.26 -0.58 -2.13 0.00 0.00 0.00 176.54 173.76 1qgb n ARG 101 N -5.49 -3.15 -0.91 4.80 0.00 0.37 -4.70 116.66 107.58 1qgb n ARG 101 Ca 0.09 2.48 -0.29 0.00 -0.00 0.00 0.00 57.85 60.13 1qgb n ARG 101 Cb 0.39 -2.90 0.01 0.00 0.00 0.00 0.00 32.46 29.96 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 1.10 0.00 -3.72 5.15 -0.00 -0.31 -4.49 119.36 117.08 1qgb n ILE 102 Ca 0.00 -0.37 -0.13 0.00 -0.00 0.00 0.00 62.75 62.25 1qgb n ILE 102 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 39.64 39.51 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 -0.75 -0.16 -0.08 4.38 0.15 -0.98 -4.83 113.70 111.43 1qgb s SER 103 Ca 0.41 0.49 0.01 0.00 0.70 0.00 0.00 55.95 57.56 1qgb s SER 103 Cb -0.34 0.40 -0.03 0.00 -1.71 0.00 0.00 66.02 64.34 1qgb s SER 103 CO 0.51 -0.17 -0.09 0.00 1.20 0.00 0.00 173.24 174.69 1qgb s THR 105 N -0.59 0.01 -0.37 0.00 -4.23 -1.26 -4.92 115.64 104.27 1qgb s THR 105 Ca 0.09 -0.05 -0.27 0.00 -1.18 0.00 0.00 61.69 60.27 1qgb s THR 105 Cb -0.12 -0.24 0.02 0.00 1.34 0.00 0.00 72.50 73.50 1qgb s THR 105 CO 0.02 -0.03 1.01 -0.63 -0.54 0.00 0.00 174.62 174.45 1qgb s ILE 106 N -0.02 4.49 0.01 2.99 1.09 -1.26 -0.06 121.20 128.43 1qgb s ILE 106 Ca -0.01 1.37 0.05 0.00 -1.10 0.00 0.00 60.65 60.96 1qgb s ILE 106 Cb -0.02 -4.41 -0.03 0.00 -1.06 0.00 0.00 42.46 36.94 1qgb s ILE 106 CO 0.00 -0.61 -0.12 0.00 -0.10 0.00 0.00 174.94 174.11 1qgb s ALA 107 N 3.72 2.79 -0.19 9.38 0.00 -1.26 -4.99 121.76 131.21 1qgb s ALA 107 Ca 0.42 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 51.31 1qgb s ALA 107 Cb -0.11 -0.95 0.04 0.00 0.00 0.00 0.00 23.12 22.10 1qgb s ALA 107 CO 0.20 0.59 -0.12 0.54 0.00 0.00 0.00 175.76 176.97 1qgb s ASN 108 N -1.30 3.35 0.00 0.00 4.22 -1.26 -4.98 114.94 114.96 1qgb s ASN 108 Ca 0.15 -0.85 0.00 0.00 -2.14 0.00 0.00 52.86 50.03 1qgb s ASN 108 Cb -0.11 -1.27 0.00 0.00 1.28 0.00 0.00 41.25 41.15 1qgb s ASN 108 CO 0.05 -0.12 0.00 0.54 -2.04 0.00 0.00 177.10 175.53