#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 -4.20 -2.02 1.43 4.76 -1.26 -4.72 118.16 112.16 1qgb n LYS 18 Ca 0.00 3.20 -0.42 0.00 -2.87 0.00 0.00 58.31 58.21 1qgb n LYS 18 Cb 0.00 -3.86 -0.03 0.00 -1.84 0.00 0.00 35.03 29.30 1qgb n LYS 18 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1qgb s PRO 19 N -4.57 4.15 0.00 1.97 0.04 -1.26 -4.84 135.00 130.49 1qgb s PRO 19 Ca 0.00 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.19 1qgb s PRO 19 Cb 0.00 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.55 1qgb s PRO 19 CO 0.00 -0.88 0.00 0.41 0.04 0.00 0.00 177.00 176.57 1qgb n GLY 20 N 4.17 -0.29 2.25 0.56 0.00 -1.26 -4.58 105.19 106.04 1qgb n GLY 20 Ca 0.17 -1.36 -0.25 0.00 0.00 0.00 0.00 46.02 44.59 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 1.77 2.12 -3.55 0.00 9.36 -1.26 -4.35 117.16 121.25 1qgb n TYR 22 Ca 0.24 0.19 -0.14 0.00 3.32 0.00 0.00 57.90 61.51 1qgb n TYR 22 Cb 0.51 -2.59 -0.05 0.00 -0.63 0.00 0.00 39.34 36.58 1qgb n TYR 22 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1qgb s ASP 23 N 4.65 -0.50 -1.72 2.98 -1.08 -0.42 -4.94 116.67 115.64 1qgb s ASP 23 Ca 0.98 0.53 0.00 0.00 -0.52 0.00 0.00 52.55 53.54 1qgb s ASP 23 Cb -0.82 0.41 0.00 0.00 -1.46 0.00 0.00 42.92 41.05 1qgb s ASP 23 CO 0.55 -0.47 0.00 -3.20 0.52 0.00 0.00 175.17 172.57 1qgb n ASN 24 N 0.78 -5.35 -0.08 -0.34 2.85 -1.26 -1.26 115.26 110.60 1qgb n ASN 24 Ca -0.14 0.14 -0.01 0.00 -0.11 0.00 0.00 54.58 54.46 1qgb n ASN 24 Cb 0.58 -4.43 -0.00 0.00 1.24 0.00 0.00 39.78 37.16 1qgb n ASN 24 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1qgb n GLY 25 N -0.91 0.40 3.36 8.20 0.00 -1.26 -5.00 105.19 109.98 1qgb n GLY 25 Ca -0.21 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.03 1.33 -0.65 1.61 2.20 -0.39 -5.10 119.74 117.71 1qgb s LYS 26 Ca 0.00 -1.34 -0.03 0.00 -0.36 0.00 0.00 55.97 54.24 1qgb s LYS 26 Cb 0.00 -1.67 0.17 0.00 -1.51 0.00 0.00 37.83 34.82 1qgb s LYS 26 CO 0.00 0.38 0.47 -1.58 -0.36 0.00 0.00 175.35 174.26 1qgb s HIS 27 N -1.35 3.42 0.84 4.03 2.46 -1.26 -1.30 115.29 122.13 1qgb s HIS 27 Ca 0.13 -2.70 -0.13 0.00 0.47 0.00 0.00 55.06 52.84 1qgb s HIS 27 Cb -0.09 -3.22 0.10 0.00 -0.13 0.00 0.00 32.58 29.24 1qgb s HIS 27 CO 0.06 -0.84 1.19 0.71 -2.47 0.00 0.00 174.74 173.40 1qgb s TYR 28 N -0.12 2.74 -0.07 3.88 2.02 -1.26 -4.96 117.35 119.59 1qgb s TYR 28 Ca 0.17 0.70 0.02 0.00 -0.37 0.00 0.00 57.07 57.59 1qgb s TYR 28 Cb -0.20 -3.57 -0.03 0.00 -0.40 0.00 0.00 41.96 37.77 1qgb s TYR 28 CO -0.04 -1.93 -0.10 -0.65 -1.57 0.00 0.00 175.55 171.26 1qgb s GLN 29 N -5.60 2.71 0.16 -0.62 -0.21 -1.26 -3.40 119.66 111.44 1qgb s GLN 29 Ca 0.64 -0.61 -0.21 0.00 0.02 0.00 0.00 55.36 55.20 1qgb s GLN 29 Cb -0.10 -2.52 -0.13 0.00 1.00 0.00 0.00 33.01 31.26 1qgb s GLN 29 CO 0.50 0.62 0.37 -0.89 -2.12 0.00 0.00 175.29 173.77 1qgb n ILE 30 N 2.35 1.44 -0.98 1.08 -0.00 -1.26 0.13 119.36 122.12 1qgb n ILE 30 Ca -0.18 -0.37 0.00 0.00 -0.00 0.00 0.00 62.75 62.20 1qgb n ILE 30 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.17 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 1.51 -3.60 -4.94 4.38 3.02 0.15 -4.95 115.26 110.83 1qgb n ASN 31 Ca 0.13 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.42 1qgb n ASN 31 Cb 0.19 -1.52 -0.03 0.00 -0.61 0.00 0.00 39.78 37.81 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 -0.69 3.49 0.23 3.52 0.74 0.12 -4.83 119.66 122.24 1qgb s GLN 32 Ca 0.00 -0.44 0.11 0.00 0.05 0.00 0.00 55.36 55.08 1qgb s GLN 32 Cb 0.00 -2.87 -0.05 0.00 1.10 0.00 0.00 33.01 31.19 1qgb s GLN 32 CO 0.00 0.43 -0.17 -0.65 -0.55 0.00 0.00 175.29 174.35 1qgb s GLN 33 N -3.38 1.78 0.22 1.67 -0.21 -1.26 0.10 119.66 118.57 1qgb s GLN 33 Ca 0.37 -1.55 -0.17 0.00 0.02 0.00 0.00 55.36 54.03 1qgb s GLN 33 Cb -0.11 -1.92 0.02 0.00 1.00 0.00 0.00 33.01 32.00 1qgb s GLN 33 CO 0.29 0.38 0.54 1.67 -2.12 0.00 0.00 175.29 176.05 1qgb s TRP 34 N -2.05 -0.00 -0.25 0.91 -2.14 -0.66 -5.00 118.94 109.74 1qgb s TRP 34 Ca 0.26 -0.37 -0.11 0.00 2.66 0.00 0.00 56.10 58.55 1qgb s TRP 34 Cb -0.07 0.39 -0.05 0.00 -3.10 0.00 0.00 33.47 30.64 1qgb s TRP 34 CO 0.14 -0.99 0.18 -1.21 -2.66 0.00 0.00 176.95 172.41 1qgb s GLU 35 N -3.92 4.03 0.00 3.25 2.02 -1.26 -1.76 118.70 121.06 1qgb s GLU 35 Ca 0.13 -0.27 0.00 0.00 0.02 0.00 0.00 54.97 54.85 1qgb s GLU 35 Cb -0.02 -3.58 0.00 0.00 0.10 0.00 0.00 34.13 30.63 1qgb s GLU 35 CO 0.02 -0.03 0.00 -2.13 0.02 0.00 0.00 175.26 173.13 1qgb n ARG 36 N 4.59 3.00 -1.16 1.61 0.00 -0.14 -4.93 116.66 119.62 1qgb n ARG 36 Ca -0.14 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.67 1qgb n ARG 36 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.96 1qgb n ARG 36 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 1qgb n THR 37 N -0.09 0.00 -1.35 5.15 5.66 -1.26 -0.84 114.28 121.56 1qgb n THR 37 Ca 0.00 -0.15 -0.44 0.00 -3.05 0.00 0.00 64.05 60.40 1qgb n THR 37 Cb 0.00 0.44 -0.01 0.00 -1.55 0.00 0.00 70.33 69.21 1qgb n THR 37 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1qgb n TYR 38 N -0.24 -1.35 -1.27 1.09 4.01 -1.24 -0.10 117.16 118.07 1qgb n TYR 38 Ca -0.17 0.77 -0.09 0.00 -0.16 0.00 0.00 57.90 58.25 1qgb n TYR 38 Cb 0.59 -1.86 -0.04 0.00 -0.31 0.00 0.00 39.34 37.71 1qgb n TYR 38 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1qgb n LEU 39 N 2.15 -0.43 -2.54 7.72 7.99 -1.26 -2.62 117.00 128.01 1qgb n LEU 39 Ca 0.14 0.23 -0.15 0.00 -0.01 0.00 0.00 56.01 56.22 1qgb n LEU 39 Cb 0.34 -2.02 0.05 0.00 -0.11 0.00 0.00 43.42 41.68 1qgb n LEU 39 CO 0.55 -0.72 0.14 0.61 -1.51 0.00 0.00 177.39 176.47 1qgb n GLY 40 N -0.91 -0.04 3.31 -0.72 0.00 0.86 -5.03 105.19 102.67 1qgb n GLY 40 Ca -0.09 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.35 -0.53 0.06 1.61 0.01 0.53 -5.10 114.94 108.17 1qgb s ASN 41 Ca 0.31 0.93 -0.19 0.00 -0.71 0.00 0.00 52.86 53.20 1qgb s ASN 41 Cb -0.13 0.84 -0.10 0.00 0.41 0.00 0.00 41.25 42.26 1qgb s ASN 41 CO 0.48 -0.19 0.43 0.00 -1.51 0.00 0.00 177.10 176.31 1qgb n ALA 42 N 3.97 -2.14 -3.34 0.60 0.00 -1.26 -3.64 120.51 114.69 1qgb n ALA 42 Ca -0.21 0.29 -0.10 0.00 0.00 0.00 0.00 53.44 53.41 1qgb n ALA 42 Cb 0.56 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 19.06 1qgb n ALA 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1qgb s LEU 43 N 0.84 0.36 -0.09 0.00 1.02 -0.02 -2.29 118.68 118.50 1qgb s LEU 43 Ca 0.43 -1.10 -0.04 0.00 0.02 0.00 0.00 54.13 53.43 1qgb s LEU 43 Cb -0.60 2.08 0.05 0.00 0.02 0.00 0.00 46.19 47.73 1qgb s LEU 43 CO 0.31 -1.35 0.19 -0.69 0.02 0.00 0.00 176.35 174.83 1qgb s VAL 44 N -3.29 -0.13 0.32 -1.59 1.01 -1.26 -0.96 120.40 114.50 1qgb s VAL 44 Ca 0.21 0.21 0.10 0.00 0.00 0.00 0.00 61.98 62.51 1qgb s VAL 44 Cb -0.02 -0.32 -0.06 0.00 0.00 0.00 0.00 36.38 35.98 1qgb s VAL 44 CO 0.13 0.09 -0.06 0.00 0.00 0.00 0.00 175.10 175.25 1qgb s THR 46 N -2.52 -0.02 0.09 0.00 2.01 -1.25 -1.65 115.64 112.28 1qgb s THR 46 Ca 0.33 0.08 -0.27 0.00 0.31 0.00 0.00 61.69 62.14 1qgb s THR 46 Cb -0.01 -0.29 -0.06 0.00 0.01 0.00 0.00 72.50 72.15 1qgb s THR 46 CO 0.18 0.03 0.85 0.00 -0.69 0.00 0.00 174.62 174.99 1qgb n TYR 48 N 2.67 0.00 -1.59 0.00 4.02 -1.26 0.30 117.16 121.29 1qgb n TYR 48 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 1qgb n TYR 48 Cb 0.50 -0.47 0.00 0.00 -0.02 0.00 0.00 39.34 39.35 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 2.53 -1.82 7.00 2.72 0.00 -1.26 -4.54 105.19 109.83 1qgb n GLY 49 Ca -0.17 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.07 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 2.05 0.00 -0.02 0.00 -1.26 -2.03 105.19 103.93 1qgb n GLY 50 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1qgb n GLY 50 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qgb n SER 51 N 3.81 0.81 -0.28 1.61 3.41 -1.26 -4.75 113.62 116.96 1qgb n SER 51 Ca 0.00 -1.11 0.01 0.00 -0.26 0.00 0.00 58.87 57.51 1qgb n SER 51 Cb 0.00 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 64.16 1qgb n SER 51 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1qgb h ARG 52 N 0.00 1.07 -1.90 4.33 2.47 -1.76 -3.49 114.38 115.11 1qgb h ARG 52 Ca 0.00 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.66 1qgb h ARG 52 Cb 0.23 -0.24 0.00 0.00 -1.65 0.00 0.00 29.97 28.31 1qgb h ARG 52 CO 0.00 0.71 -0.47 0.41 0.56 0.00 0.00 179.97 181.18 1qgb n GLY 53 N -1.40 -3.78 3.37 0.04 0.00 -1.24 -4.96 105.19 97.22 1qgb n GLY 53 Ca 0.11 -0.95 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.09 -2.18 -3.24 1.61 1.16 -1.26 -4.59 117.46 107.88 1qgb n PHE 54 Ca 0.00 -0.38 -0.02 0.00 -1.87 0.00 0.00 57.45 55.17 1qgb n PHE 54 Cb 0.03 -1.57 -0.04 0.00 -1.61 0.00 0.00 39.48 36.29 1qgb n PHE 54 CO 0.00 0.00 0.00 1.21 -1.87 0.00 0.00 176.76 176.10 1qgb s ASN 55 N -2.57 -0.65 0.95 5.98 2.47 -1.20 -4.95 114.94 114.96 1qgb s ASN 55 Ca 0.68 0.47 -0.14 0.00 0.42 0.00 0.00 52.86 54.30 1qgb s ASN 55 Cb -0.21 1.67 0.16 0.00 -1.45 0.00 0.00 41.25 41.42 1qgb s ASN 55 CO 0.63 -0.29 1.17 0.00 -3.72 0.00 0.00 177.10 174.89 1qgb n GLU 57 N -3.85 0.00 0.00 0.00 1.02 -0.37 -4.93 120.64 112.50 1qgb n GLU 57 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1qgb n GLU 57 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.01 1qgb n GLU 57 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1qgb n SER 58 N 0.00 0.00 -4.61 1.62 2.88 -1.26 -4.73 113.62 107.51 1qgb n SER 58 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1qgb n SER 58 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 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 -0.13 3.89 -0.46 -1.46 2.36 -0.97 -4.70 119.74 118.27 1qgb s LYS 59 Ca 0.00 0.74 -0.42 0.00 -2.55 0.00 0.00 55.97 53.74 1qgb s LYS 59 Cb 0.00 -3.80 -0.17 0.00 -1.05 0.00 0.00 37.83 32.81 1qgb s LYS 59 CO 0.00 -1.01 2.08 -2.30 1.55 0.00 0.00 175.35 175.67 1qgb n PRO 60 N 6.99 0.29 -0.30 4.03 -0.02 -1.26 -4.81 135.00 139.93 1qgb n PRO 60 Ca 0.10 0.08 0.08 0.00 -2.02 0.00 0.00 63.50 61.74 1qgb n PRO 60 Cb 0.48 -1.74 0.18 0.00 -0.02 0.00 0.00 33.50 32.40 1qgb n PRO 60 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1qgb n GLU 61 N 7.22 1.72 -0.54 -0.52 -0.00 -1.26 -5.04 120.64 122.22 1qgb n GLU 61 Ca 0.48 -2.80 0.00 0.00 -0.00 0.00 0.00 57.16 54.84 1qgb n GLU 61 Cb 0.02 -1.62 0.00 0.00 -0.00 0.00 0.00 31.44 29.85 1qgb n GLU 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1qgb n ALA 62 N -1.17 0.00 -0.09 -1.84 0.00 -1.26 -5.06 120.51 111.09 1qgb n ALA 62 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.55 1qgb n ALA 62 Cb 0.73 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 20.02 1qgb n ALA 62 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1qgb n GLU 63 N 0.00 0.69 -0.14 0.00 2.13 -1.26 -5.10 120.64 116.95 1qgb n GLU 63 Ca 0.00 -0.02 0.02 0.00 0.66 0.00 0.00 57.16 57.82 1qgb n GLU 63 Cb 0.00 -1.53 -0.00 0.00 0.27 0.00 0.00 31.44 30.18 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 -2.72 -0.28 0.00 5.31 1.02 -1.26 -5.00 120.64 117.71 1qgb n GLU 64 Ca -0.30 0.19 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 1qgb n GLU 64 Cb 1.11 -0.35 0.00 0.00 -0.02 0.00 0.00 31.44 32.19 1qgb n GLU 64 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1qgb n THR 65 N -1.11 0.00 0.00 2.62 -2.24 -1.26 -4.58 114.28 107.71 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 0.06 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 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 -2.00 1.78 -0.90 0.00 2.19 -1.26 -2.79 117.98 115.00 1qgb s PHE 67 Ca 0.00 -1.29 -0.25 0.00 0.33 0.00 0.00 56.93 55.72 1qgb s PHE 67 Cb 0.00 -1.33 0.04 0.00 -1.31 0.00 0.00 43.02 40.41 1qgb s PHE 67 CO 0.00 -0.68 1.41 0.34 1.83 0.00 0.00 175.22 178.12 1qgb s ASP 68 N 1.60 6.29 1.11 6.13 2.15 -1.24 -4.75 116.67 127.97 1qgb s ASP 68 Ca -0.03 -0.99 -0.17 0.00 0.43 0.00 0.00 52.55 51.79 1qgb s ASP 68 Cb -0.17 -2.56 0.15 0.00 -0.30 0.00 0.00 42.92 40.04 1qgb s ASP 68 CO -0.07 -1.70 0.18 1.17 -0.17 0.00 0.00 175.17 174.58 1qgb n LYS 69 N 9.09 -2.14 0.00 4.34 4.81 -1.26 0.12 118.16 133.12 1qgb n LYS 69 Ca 0.21 -0.62 0.00 0.00 -0.87 0.00 0.00 58.31 57.03 1qgb n LYS 69 Cb 0.50 -1.63 0.00 0.00 0.02 0.00 0.00 35.03 33.92 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 -4.55 0.00 0.15 5.64 4.01 -1.26 -3.73 117.16 117.42 1qgb n TYR 70 Ca 0.03 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.84 1qgb n TYR 70 Cb 0.52 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.45 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 0.00 -3.22 -0.72 -1.04 -1.18 -5.05 114.28 103.06 1qgb n THR 71 Ca 0.00 -0.29 -0.10 0.00 -2.04 0.00 0.00 64.05 61.62 1qgb n THR 71 Cb 0.00 0.38 0.01 0.00 -1.82 0.00 0.00 70.33 68.90 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 1.61 -1.16 2.54 3.41 0.00 0.33 -5.01 105.19 106.91 1qgb n GLY 72 Ca -0.01 0.71 -0.28 0.00 0.00 0.00 0.00 46.02 46.44 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 -2.80 3.12 0.22 1.61 3.84 -1.15 -4.91 114.94 114.87 1qgb s ASN 73 Ca 0.08 -1.56 -0.31 0.00 0.21 0.00 0.00 52.86 51.28 1qgb s ASN 73 Cb -0.02 -0.27 -0.15 0.00 -0.55 0.00 0.00 41.25 40.27 1qgb s ASN 73 CO 0.80 -0.39 1.20 0.41 -2.79 0.00 0.00 177.10 176.33 1qgb n THR 74 N 4.81 1.20 -4.49 -5.21 -1.04 -1.26 -3.61 114.28 104.69 1qgb n THR 74 Ca 0.01 -0.30 -0.24 0.00 -2.04 0.00 0.00 64.05 61.48 1qgb n THR 74 Cb 0.41 -1.07 -0.09 0.00 -1.82 0.00 0.00 70.33 67.75 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 -0.38 1.82 -0.13 -1.42 2.02 -1.12 -4.95 117.35 113.18 1qgb s TYR 75 Ca 0.68 -1.18 -0.12 0.00 -0.37 0.00 0.00 57.07 56.08 1qgb s TYR 75 Cb -0.75 -1.19 -0.05 0.00 -0.40 0.00 0.00 41.96 39.57 1qgb s TYR 75 CO 0.54 -0.20 0.25 1.03 -1.57 0.00 0.00 175.55 175.60 1qgb s ARG 76 N -3.79 4.01 0.34 -0.62 1.81 -1.26 -2.54 118.95 116.90 1qgb s ARG 76 Ca 0.28 0.05 0.13 0.00 -1.72 0.00 0.00 55.73 54.47 1qgb s ARG 76 Cb 0.05 -3.34 1.02 0.00 -0.45 0.00 0.00 34.95 32.22 1qgb s ARG 76 CO 0.14 0.44 1.69 -0.24 -0.68 0.00 0.00 175.30 176.66 1qgb h VAL 77 N 4.37 0.40 -0.75 3.52 3.04 -1.77 0.60 116.25 125.67 1qgb h VAL 77 Ca -0.46 -0.15 -0.43 0.00 -1.01 0.00 0.00 66.70 64.66 1qgb h VAL 77 Cb 1.19 -0.06 -0.23 0.00 -2.01 0.00 0.00 31.29 30.17 1qgb h VAL 77 CO 0.70 0.08 0.55 0.61 -1.01 0.00 0.00 177.57 178.49 1qgb n GLY 78 N -1.31 4.24 2.75 3.17 0.00 -1.26 -4.34 105.19 108.44 1qgb n GLY 78 Ca 0.30 -1.10 -0.25 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.77 2.28 0.32 1.61 1.01 0.21 -5.10 116.67 116.23 1qgb s ASP 79 Ca 0.45 -0.47 -0.14 0.00 0.71 0.00 0.00 52.55 53.09 1qgb s ASP 79 Cb 0.37 -0.52 -0.09 0.00 1.01 0.00 0.00 42.92 43.70 1qgb s ASP 79 CO 0.05 -0.25 0.72 0.42 0.21 0.00 0.00 175.17 176.32 1qgb s THR 80 N 1.92 4.71 0.30 -1.27 -4.23 -1.26 -3.93 115.64 111.88 1qgb s THR 80 Ca 0.02 0.87 0.07 0.00 -1.18 0.00 0.00 61.69 61.47 1qgb s THR 80 Cb -0.15 -3.62 -0.03 0.00 1.34 0.00 0.00 72.50 70.05 1qgb s THR 80 CO -0.07 -0.20 0.24 0.00 -0.54 0.00 0.00 174.62 174.06 1qgb n TYR 81 N -0.40 -0.65 -4.31 3.99 4.11 0.14 -4.98 117.16 115.06 1qgb n TYR 81 Ca 0.03 -2.47 -0.29 0.00 -0.00 0.00 0.00 57.90 55.18 1qgb n TYR 81 Cb 0.53 0.24 -0.11 0.00 -0.00 0.00 0.00 39.34 40.00 1qgb n TYR 81 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 1qgb s GLU 82 N -3.21 1.84 -0.28 -3.48 8.01 -1.26 0.12 118.70 120.45 1qgb s GLU 82 Ca 0.34 -1.22 -0.04 0.00 0.01 0.00 0.00 54.97 54.06 1qgb s GLU 82 Cb 0.02 -2.11 0.10 0.00 -4.31 0.00 0.00 34.13 27.82 1qgb s GLU 82 CO 0.24 0.46 0.12 0.50 0.01 0.00 0.00 175.26 176.60 1qgb s ARG 83 N -2.35 0.22 -0.33 1.61 3.52 -1.10 -4.83 118.95 115.70 1qgb s ARG 83 Ca 0.20 -0.53 -0.29 0.00 -0.13 0.00 0.00 55.73 54.98 1qgb s ARG 83 Cb -0.10 -1.30 0.00 0.00 -1.56 0.00 0.00 34.95 32.00 1qgb s ARG 83 CO 0.11 -0.98 1.34 -1.25 -0.81 0.00 0.00 175.30 173.72 1qgb s PRO 84 N 2.06 3.82 0.17 5.12 0.04 -1.26 -2.60 135.00 142.35 1qgb s PRO 84 Ca 0.08 1.18 -0.20 0.00 0.04 0.00 0.00 61.00 62.11 1qgb s PRO 84 Cb -0.16 -3.92 0.05 0.00 0.04 0.00 0.00 34.50 30.50 1qgb s PRO 84 CO -0.33 -1.25 0.54 0.15 0.04 0.00 0.00 177.00 176.15 1qgb s LYS 85 N 4.39 1.29 -1.00 4.56 1.02 -0.89 -4.91 119.74 124.21 1qgb s LYS 85 Ca 0.58 -0.67 0.00 0.00 0.02 0.00 0.00 55.97 55.90 1qgb s LYS 85 Cb -0.16 0.54 0.00 0.00 -0.52 0.00 0.00 37.83 37.69 1qgb s LYS 85 CO 0.26 -0.55 0.00 -0.25 -0.92 0.00 0.00 175.35 173.89 1qgb n ASP 86 N -0.34 -3.17 0.00 2.83 9.92 -1.26 0.15 116.55 124.68 1qgb n ASP 86 Ca -0.14 0.25 0.00 0.00 -0.53 0.00 0.00 54.79 54.37 1qgb n ASP 86 Cb 0.64 -2.86 0.00 0.00 -0.64 0.00 0.00 41.12 38.25 1qgb n ASP 86 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1qgb n SER 87 N -1.06 -3.29 -3.84 -2.24 2.88 -1.26 -4.98 113.62 99.83 1qgb n SER 87 Ca -0.12 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.27 1qgb n SER 87 Cb 0.48 -1.43 -0.15 0.00 -0.75 0.00 0.00 64.21 62.36 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 -0.64 0.17 0.48 -1.46 0.00 0.40 -5.15 119.30 113.10 1qgb s MET 88 Ca 0.00 0.04 -0.09 0.00 0.00 0.00 0.00 55.69 55.65 1qgb s MET 88 Cb 0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 34.83 34.49 1qgb s MET 88 CO 0.00 -0.07 0.83 0.42 0.00 0.00 0.00 175.02 176.20 1qgb s ILE 89 N 0.60 4.81 -0.24 10.11 1.09 -1.26 -2.09 121.20 134.22 1qgb s ILE 89 Ca -0.06 0.51 -0.02 0.00 -1.10 0.00 0.00 60.65 59.98 1qgb s ILE 89 Cb -0.08 -3.81 0.12 0.00 -1.06 0.00 0.00 42.46 37.63 1qgb s ILE 89 CO -0.01 -0.78 0.32 0.26 -0.10 0.00 0.00 174.94 174.62 1qgb s TRP 90 N -2.69 -0.62 -0.76 3.97 0.52 -1.07 -3.58 118.94 114.71 1qgb s TRP 90 Ca 0.51 0.47 -0.25 0.00 0.02 0.00 0.00 56.10 56.84 1qgb s TRP 90 Cb -0.10 -0.18 -0.14 0.00 -1.15 0.00 0.00 33.47 31.90 1qgb s TRP 90 CO 0.41 -0.73 2.41 -3.47 0.02 0.00 0.00 176.95 175.59 1qgb n ASP 91 N 5.34 1.68 -4.80 2.95 2.03 0.70 -2.71 116.55 121.75 1qgb n ASP 91 Ca -0.04 -1.27 -0.34 0.00 0.52 0.00 0.00 54.79 53.66 1qgb n ASP 91 Cb 0.49 -1.58 -0.03 0.00 -0.72 0.00 0.00 41.12 39.29 1qgb n ASP 91 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1qgb s THR 93 N -2.01 1.34 -0.78 0.00 2.01 0.06 0.24 115.64 116.50 1qgb s THR 93 Ca 0.67 -1.21 -0.19 0.00 0.31 0.00 0.00 61.69 61.27 1qgb s THR 93 Cb -0.17 -1.72 -0.17 0.00 0.01 0.00 0.00 72.50 70.45 1qgb s THR 93 CO 0.22 -0.22 1.91 0.00 -0.69 0.00 0.00 174.62 175.84 1qgb h ILE 95 N 6.96 1.08 -3.11 0.00 2.04 -1.78 -3.37 117.51 119.33 1qgb h ILE 95 Ca 0.00 -2.32 0.00 0.00 1.00 0.00 0.00 64.86 63.54 1qgb h ILE 95 Cb 1.01 2.39 -0.10 0.00 -0.74 0.00 0.00 36.82 39.39 1qgb h ILE 95 CO 1.05 0.58 0.15 -0.83 0.00 0.00 0.00 178.15 179.09 1qgb s GLY 96 N -4.49 -0.31 -0.55 5.37 0.00 -1.26 -4.67 107.32 101.41 1qgb s GLY 96 Ca 0.02 0.04 -0.21 0.00 0.00 0.00 0.00 44.72 44.58 1qgb s GLY 96 CO 0.75 -0.05 0.74 0.00 0.00 0.00 0.00 173.10 174.54 1qgb s ALA 97 N -3.83 3.31 -0.11 3.20 0.00 -1.25 -4.42 121.76 118.66 1qgb s ALA 97 Ca 0.06 -1.72 -0.01 0.00 0.00 0.00 0.00 51.96 50.29 1qgb s ALA 97 Cb -0.02 -3.52 0.01 0.00 0.00 0.00 0.00 23.12 19.60 1qgb s ALA 97 CO -0.05 -2.22 0.04 0.41 0.00 0.00 0.00 175.76 173.94 1qgb n GLY 98 N 5.19 -0.42 1.23 0.00 0.00 -1.26 -4.28 105.19 105.66 1qgb n GLY 98 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.22 0.00 0.00 1.61 0.63 -1.26 -5.06 116.66 110.36 1qgb n ARG 99 Ca 0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 1qgb n ARG 99 Cb 0.42 -0.12 0.00 0.00 0.45 0.00 0.00 32.46 33.21 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 0.30 -1.12 0.00 5.14 0.00 -1.26 -5.01 105.19 103.24 1qgb n GLY 100 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -2.01 1.61 1.85 -1.26 -4.88 116.66 111.97 1qgb n ARG 101 Ca 0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.51 1qgb n ARG 101 Cb 0.00 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.36 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 0.00 2.33 -1.52 8.89 5.41 -1.26 -4.17 119.36 129.04 1qgb n ILE 102 Ca 0.00 -2.36 -0.37 0.00 1.00 0.00 0.00 62.75 61.02 1qgb n ILE 102 Cb 0.00 -2.24 0.06 0.00 -0.71 0.00 0.00 39.64 36.75 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 11.98 0.44 -4.19 4.38 2.88 -1.24 -4.54 113.62 123.33 1qgb n SER 103 Ca 0.47 0.74 -0.18 0.00 -1.33 0.00 0.00 58.87 58.56 1qgb n SER 103 Cb 0.45 -1.37 -0.12 0.00 -0.75 0.00 0.00 64.21 62.42 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 -1.46 0.00 0.96 0.00 -1.32 -1.21 -4.88 115.64 107.73 1qgb s THR 105 Ca 0.00 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.37 1qgb s THR 105 Cb -0.09 -1.00 0.16 0.00 -1.51 0.00 0.00 72.50 70.07 1qgb s THR 105 CO 0.02 0.00 1.09 -0.63 -2.21 0.00 0.00 174.62 172.89 1qgb s ILE 106 N 0.92 2.42 0.13 5.08 1.09 -1.23 0.25 121.20 129.85 1qgb s ILE 106 Ca -0.04 0.14 0.00 0.00 -1.10 0.00 0.00 60.65 59.65 1qgb s ILE 106 Cb -0.04 -2.46 0.00 0.00 -1.06 0.00 0.00 42.46 38.89 1qgb s ILE 106 CO -0.12 -0.18 0.00 0.00 -0.10 0.00 0.00 174.94 174.54 1qgb n ALA 107 N -4.16 -2.43 -2.69 9.38 0.00 -1.26 -4.72 120.51 114.63 1qgb n ALA 107 Ca 0.07 0.28 -0.43 0.00 0.00 0.00 0.00 53.44 53.36 1qgb n ALA 107 Cb 0.55 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1qgb n ALA 107 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1qgb n ASN 108 N 1.13 5.13 0.00 0.00 4.05 -1.26 -4.75 115.26 119.56 1qgb n ASN 108 Ca 0.00 -3.02 0.04 0.00 0.45 0.00 0.00 54.58 52.05 1qgb n ASN 108 Cb 0.00 -1.55 0.22 0.00 1.23 0.00 0.00 39.78 39.67 1qgb n ASN 108 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 177.26 173.07