#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 -3.60 -0.82 -1.46 5.02 -1.26 -4.94 118.16 111.10 1qgb n LYS 18 Ca 0.00 2.76 -0.29 0.00 -2.02 0.00 0.00 58.31 58.76 1qgb n LYS 18 Cb 0.00 -3.36 0.24 0.00 -0.02 0.00 0.00 35.03 31.89 1qgb n LYS 18 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1qgb s PRO 19 N -4.90 -1.08 0.00 1.97 0.04 -1.26 -4.93 135.00 124.83 1qgb s PRO 19 Ca 0.00 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.40 1qgb s PRO 19 Cb 0.00 -1.57 0.00 0.00 0.04 0.00 0.00 34.50 32.97 1qgb s PRO 19 CO 0.00 -3.71 0.00 0.41 0.04 0.00 0.00 177.00 173.74 1qgb n GLY 20 N -0.04 0.15 3.37 0.56 0.00 -1.26 -4.96 105.19 103.01 1qgb n GLY 20 Ca 0.08 -1.96 -0.34 0.00 0.00 0.00 0.00 46.02 43.80 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 0.73 2.76 0.00 0.00 5.04 -1.26 -1.58 117.35 123.04 1qgb s TYR 22 Ca -0.04 -1.51 0.00 0.00 -2.44 0.00 0.00 57.07 53.08 1qgb s TYR 22 Cb -0.15 -1.90 0.00 0.00 0.35 0.00 0.00 41.96 40.26 1qgb s TYR 22 CO 0.02 -0.73 0.00 -3.47 -1.34 0.00 0.00 175.55 170.03 1qgb n ASP 23 N 4.47 0.00 -0.30 4.32 2.03 1.00 -4.94 116.55 123.12 1qgb n ASP 23 Ca -0.21 -0.25 0.01 0.00 0.52 0.00 0.00 54.79 54.86 1qgb n ASP 23 Cb 0.50 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.96 1qgb n ASP 23 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1qgb n ASN 24 N -0.75 -0.46 -0.55 1.67 2.85 -1.26 -3.64 115.26 113.12 1qgb n ASN 24 Ca 0.00 1.37 -0.00 0.00 -0.11 0.00 0.00 54.58 55.84 1qgb n ASN 24 Cb 0.00 -0.34 -0.00 0.00 1.24 0.00 0.00 39.78 40.68 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 -1.40 0.83 3.21 8.20 0.00 -1.26 -5.10 105.19 109.66 1qgb n GLY 25 Ca 0.09 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 2.60 -0.57 1.61 1.02 -1.24 -5.09 119.74 118.08 1qgb s LYS 26 Ca 0.01 -0.82 -0.01 0.00 0.02 0.00 0.00 55.97 55.17 1qgb s LYS 26 Cb 0.01 -2.09 0.15 0.00 -0.52 0.00 0.00 37.83 35.38 1qgb s LYS 26 CO -0.00 0.25 0.35 -1.58 -0.92 0.00 0.00 175.35 173.45 1qgb s HIS 27 N 0.14 3.38 0.79 3.18 2.46 -1.26 -0.00 115.29 123.97 1qgb s HIS 27 Ca -0.11 -2.84 -0.11 0.00 0.47 0.00 0.00 55.06 52.48 1qgb s HIS 27 Cb -0.15 -3.08 0.18 0.00 -0.13 0.00 0.00 32.58 29.39 1qgb s HIS 27 CO 0.06 -0.83 1.07 0.66 -2.47 0.00 0.00 174.74 173.23 1qgb n TYR 28 N 3.50 -3.75 -4.27 3.88 4.02 -0.61 -4.97 117.16 114.96 1qgb n TYR 28 Ca 0.06 -1.14 -0.28 0.00 -0.01 0.00 0.00 57.90 56.53 1qgb n TYR 28 Cb 0.37 -0.82 -0.10 0.00 -0.02 0.00 0.00 39.34 38.77 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 -5.30 2.04 0.73 -0.72 0.74 -1.26 -3.57 119.66 112.31 1qgb s GLN 29 Ca 0.63 -1.18 -0.16 0.00 0.05 0.00 0.00 55.36 54.69 1qgb s GLN 29 Cb -0.02 -2.20 -0.05 0.00 1.10 0.00 0.00 33.01 31.84 1qgb s GLN 29 CO 0.43 0.46 0.38 -0.89 -0.55 0.00 0.00 175.29 175.13 1qgb n ILE 30 N 0.35 1.41 -1.47 -2.34 -0.00 -1.26 -1.39 119.36 114.67 1qgb n ILE 30 Ca -0.12 -0.40 -0.16 0.00 -0.00 0.00 0.00 62.75 62.06 1qgb n ILE 30 Cb 0.54 -0.61 -0.07 0.00 -0.00 0.00 0.00 39.64 39.50 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 0.17 -5.50 -4.74 4.38 3.02 -0.43 -4.95 115.26 107.21 1qgb n ASN 31 Ca 0.09 0.40 -0.34 0.00 -0.03 0.00 0.00 54.58 54.70 1qgb n ASN 31 Cb 0.50 -4.50 -0.08 0.00 -0.61 0.00 0.00 39.78 35.09 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 -3.37 3.04 -0.03 3.52 0.74 -0.48 -4.90 119.66 118.18 1qgb s GLN 32 Ca 0.00 -0.43 0.05 0.00 0.05 0.00 0.00 55.36 55.04 1qgb s GLN 32 Cb 0.00 -2.85 -0.03 0.00 1.10 0.00 0.00 33.01 31.23 1qgb s GLN 32 CO 0.00 0.68 -0.18 -0.65 -0.55 0.00 0.00 175.29 174.59 1qgb s GLN 33 N -1.29 2.34 0.12 1.67 -0.21 -1.26 -0.41 119.66 120.61 1qgb s GLN 33 Ca 0.18 -0.80 -0.01 0.00 0.02 0.00 0.00 55.36 54.76 1qgb s GLN 33 Cb -0.12 -2.26 0.00 0.00 1.00 0.00 0.00 33.01 31.63 1qgb s GLN 33 CO 0.08 0.60 0.17 -2.67 -2.12 0.00 0.00 175.29 171.34 1qgb n TRP 34 N 2.23 -0.78 -4.30 0.91 2.14 0.34 -4.97 117.44 113.01 1qgb n TRP 34 Ca -0.17 -0.82 -0.33 0.00 2.07 0.00 0.00 57.50 58.25 1qgb n TRP 34 Cb 0.52 0.19 -0.16 0.00 -0.81 0.00 0.00 31.31 31.05 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 -2.28 3.00 0.19 -2.67 2.12 -1.26 0.19 118.70 117.99 1qgb s GLU 35 Ca 0.10 -0.84 0.06 0.00 0.36 0.00 0.00 54.97 54.65 1qgb s GLU 35 Cb -0.00 -2.52 -0.04 0.00 0.26 0.00 0.00 34.13 31.83 1qgb s GLU 35 CO 0.07 -0.15 0.13 0.50 -0.54 0.00 0.00 175.26 175.27 1qgb s ARG 36 N 1.13 2.81 -0.07 4.30 3.00 0.49 -4.87 118.95 125.73 1qgb s ARG 36 Ca 0.01 -0.98 0.00 0.00 -1.00 0.00 0.00 55.73 53.77 1qgb s ARG 36 Cb -0.14 -2.56 -0.03 0.00 0.00 0.00 0.00 34.95 32.22 1qgb s ARG 36 CO -0.09 0.45 -0.06 0.99 0.00 0.00 0.00 175.30 176.59 1qgb s THR 37 N -1.88 3.76 -0.27 4.11 2.01 -1.26 0.02 115.64 122.14 1qgb s THR 37 Ca 0.31 -0.45 -0.02 0.00 0.31 0.00 0.00 61.69 61.83 1qgb s THR 37 Cb -0.09 -2.55 0.16 0.00 0.01 0.00 0.00 72.50 70.03 1qgb s THR 37 CO 0.23 0.59 0.48 -0.47 -0.69 0.00 0.00 174.62 174.76 1qgb s TYR 38 N -0.75 -1.17 -0.97 4.92 5.04 -1.22 -4.91 117.35 118.29 1qgb s TYR 38 Ca 0.11 1.27 -0.05 0.00 -2.44 0.00 0.00 57.07 55.97 1qgb s TYR 38 Cb -0.11 0.28 0.01 0.00 0.35 0.00 0.00 41.96 42.49 1qgb s TYR 38 CO 0.02 -0.78 0.66 1.28 -1.34 0.00 0.00 175.55 175.39 1qgb n LEU 39 N 5.40 -2.71 -2.78 6.97 4.32 -1.26 -3.06 117.00 123.87 1qgb n LEU 39 Ca -0.03 -0.30 -0.15 0.00 -0.02 0.00 0.00 56.01 55.51 1qgb n LEU 39 Cb 0.50 -2.20 0.06 0.00 -1.62 0.00 0.00 43.42 40.17 1qgb n LEU 39 CO 0.04 0.34 0.13 0.61 -1.22 0.00 0.00 177.39 177.29 1qgb n GLY 40 N -1.43 -0.15 3.34 -0.72 0.00 -1.26 -5.03 105.19 99.94 1qgb n GLY 40 Ca -0.02 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.61 1.63 -0.33 1.61 -0.87 -1.17 -5.13 114.94 107.07 1qgb s ASN 41 Ca 0.22 -1.58 0.01 0.00 -1.57 0.00 0.00 52.86 49.94 1qgb s ASN 41 Cb -0.10 0.41 0.08 0.00 -0.02 0.00 0.00 41.25 41.62 1qgb s ASN 41 CO 0.54 -0.91 0.05 0.00 -2.57 0.00 0.00 177.10 174.21 1qgb s ALA 42 N -3.57 2.88 -0.22 0.60 0.00 -1.26 -3.43 121.76 116.77 1qgb s ALA 42 Ca 0.35 -2.22 -0.02 0.00 0.00 0.00 0.00 51.96 50.07 1qgb s ALA 42 Cb 0.05 -2.00 0.01 0.00 0.00 0.00 0.00 23.12 21.17 1qgb s ALA 42 CO 0.18 -1.53 -0.09 -0.51 0.00 0.00 0.00 175.76 173.81 1qgb s LEU 43 N 1.08 2.76 0.06 0.00 2.01 0.10 0.12 118.68 124.81 1qgb s LEU 43 Ca 0.03 -0.57 -0.31 0.00 0.01 0.00 0.00 54.13 53.30 1qgb s LEU 43 Cb -0.20 -1.66 -0.06 0.00 0.01 0.00 0.00 46.19 44.28 1qgb s LEU 43 CO -0.05 -0.04 1.33 -0.69 1.01 0.00 0.00 176.35 177.92 1qgb s VAL 44 N 1.40 3.65 0.22 -1.59 1.01 -1.16 0.18 120.40 124.10 1qgb s VAL 44 Ca 0.04 1.14 0.06 0.00 0.00 0.00 0.00 61.98 63.23 1qgb s VAL 44 Cb -0.14 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1qgb s VAL 44 CO -0.06 0.06 0.16 0.00 0.00 0.00 0.00 175.10 175.26 1qgb s THR 46 N -1.98 -0.35 0.10 0.00 2.01 -1.26 -0.51 115.64 113.66 1qgb s THR 46 Ca 0.32 0.27 -0.30 0.00 0.31 0.00 0.00 61.69 62.28 1qgb s THR 46 Cb -0.09 -0.42 -0.06 0.00 0.01 0.00 0.00 72.50 71.94 1qgb s THR 46 CO 0.24 0.11 0.96 0.00 -0.69 0.00 0.00 174.62 175.24 1qgb n TYR 48 N 2.86 0.00 0.00 0.00 4.02 -1.26 -1.31 117.16 121.48 1qgb n TYR 48 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 1qgb n TYR 48 Cb 0.49 -0.75 0.00 0.00 -0.02 0.00 0.00 39.34 39.06 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 2.04 -0.47 6.93 2.72 0.00 -1.26 -4.45 105.19 110.70 1qgb n GLY 49 Ca -0.39 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.38 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 -0.27 2.53 1.91 -0.02 0.00 -1.26 -0.45 105.19 107.63 1qgb n GLY 50 Ca 0.00 0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 1.00 4.25 -0.06 1.61 7.64 -1.26 -4.45 113.62 122.34 1qgb n SER 51 Ca 0.00 -3.38 -0.21 0.00 1.01 0.00 0.00 58.87 56.29 1qgb n SER 51 Cb 0.00 -0.75 -0.13 0.00 -1.01 0.00 0.00 64.21 62.33 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 1.99 0.09 -2.66 1.43 2.47 -1.14 -3.51 114.38 113.06 1qgb h ARG 52 Ca 0.35 -0.16 0.27 0.00 -1.26 0.00 0.00 59.98 59.17 1qgb h ARG 52 Cb 2.36 0.06 -0.14 0.00 -1.65 0.00 0.00 29.97 30.60 1qgb h ARG 52 CO 0.77 1.08 -0.95 0.41 0.56 0.00 0.00 179.97 181.84 1qgb n GLY 53 N 1.60 -3.17 3.79 0.04 0.00 -1.21 -4.87 105.19 101.38 1qgb n GLY 53 Ca -0.27 -1.15 -0.34 0.00 0.00 0.00 0.00 46.02 44.26 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 -3.93 2.94 -0.10 1.61 -0.12 -1.26 -4.31 117.98 112.81 1qgb s PHE 54 Ca 0.00 1.57 -0.03 0.00 -0.05 0.00 0.00 56.93 58.42 1qgb s PHE 54 Cb 0.00 -3.11 -0.05 0.00 -0.63 0.00 0.00 43.02 39.23 1qgb s PHE 54 CO 0.00 -0.97 -0.12 -1.71 -0.05 0.00 0.00 175.22 172.38 1qgb n ASN 55 N -1.01 1.77 -0.64 1.98 2.85 -1.25 -4.98 115.26 113.98 1qgb n ASN 55 Ca 0.10 0.05 0.00 0.00 -0.11 0.00 0.00 54.58 54.62 1qgb n ASN 55 Cb 0.52 -0.25 0.00 0.00 1.24 0.00 0.00 39.78 41.29 1qgb n ASN 55 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1qgb n GLU 57 N -1.56 0.00 -3.84 0.00 2.13 0.04 -4.97 120.64 112.44 1qgb n GLU 57 Ca 0.00 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.77 1qgb n GLU 57 Cb 0.12 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.84 1qgb n GLU 57 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1qgb s SER 58 N 1.00 -0.03 -0.44 4.31 0.01 -1.26 -4.64 113.70 112.64 1qgb s SER 58 Ca 0.00 -0.77 -0.29 0.00 1.31 0.00 0.00 55.95 56.20 1qgb s SER 58 Cb 0.00 0.61 0.01 0.00 0.21 0.00 0.00 66.02 66.85 1qgb s SER 58 CO 0.00 -1.19 1.40 -0.75 0.41 0.00 0.00 173.24 173.11 1qgb s LYS 59 N -2.42 3.53 1.00 12.44 2.47 0.32 -3.01 119.74 134.07 1qgb s LYS 59 Ca 0.18 0.82 -0.17 0.00 -1.56 0.00 0.00 55.97 55.25 1qgb s LYS 59 Cb -0.03 -4.04 0.25 0.00 -1.46 0.00 0.00 37.83 32.55 1qgb s LYS 59 CO 0.07 -1.63 0.94 -0.35 0.16 0.00 0.00 175.35 174.53 1qgb n PRO 60 N 8.17 -2.57 -2.99 4.03 -0.04 -1.26 -5.04 135.00 135.29 1qgb n PRO 60 Ca 0.16 -1.49 -0.14 0.00 -0.04 0.00 0.00 63.50 61.98 1qgb n PRO 60 Cb 0.48 -1.33 0.01 0.00 -0.04 0.00 0.00 33.50 32.62 1qgb n PRO 60 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1qgb n GLU 61 N -4.16 1.02 0.00 0.54 0.28 -1.26 -5.13 120.64 111.93 1qgb n GLU 61 Ca 0.13 -3.07 0.00 0.00 -0.16 0.00 0.00 57.16 54.05 1qgb n GLU 61 Cb 0.49 -1.44 0.00 0.00 1.43 0.00 0.00 31.44 31.92 1qgb n GLU 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1qgb n ALA 62 N 0.18 0.00 -2.66 -1.84 0.00 -1.26 -4.82 120.51 110.11 1qgb n ALA 62 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.32 1qgb n ALA 62 Cb 0.71 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.07 1qgb n ALA 62 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1qgb s GLU 63 N 0.00 2.45 -0.41 0.00 2.12 -1.26 -5.05 118.70 116.54 1qgb s GLU 63 Ca 0.00 -0.89 0.09 0.00 0.36 0.00 0.00 54.97 54.54 1qgb s GLU 63 Cb 0.00 -2.48 0.42 0.00 0.26 0.00 0.00 34.13 32.33 1qgb s GLU 63 CO 0.00 0.53 1.03 -1.91 -0.54 0.00 0.00 175.26 174.37 1qgb n GLU 64 N 0.57 2.59 -3.61 4.30 2.13 -1.26 -4.88 120.64 120.49 1qgb n GLU 64 Ca -0.11 -4.09 -0.11 0.00 0.66 0.00 0.00 57.16 53.50 1qgb n GLU 64 Cb 0.52 -1.91 -0.06 0.00 0.27 0.00 0.00 31.44 30.26 1qgb n GLU 64 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1qgb s THR 65 N -4.57 0.00 0.11 6.31 -4.23 -1.26 -4.56 115.64 107.44 1qgb s THR 65 Ca 0.41 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.93 1qgb s THR 65 Cb 0.41 -1.00 -0.00 0.00 1.34 0.00 0.00 72.50 73.25 1qgb s THR 65 CO -0.11 0.00 0.01 0.00 -0.54 0.00 0.00 174.62 173.99 1qgb s PHE 67 N -1.62 -1.26 -1.20 0.00 5.36 -1.24 -4.58 117.98 113.43 1qgb s PHE 67 Ca 0.02 2.05 -0.11 0.00 -0.96 0.00 0.00 56.93 57.93 1qgb s PHE 67 Cb 0.00 0.71 0.20 0.00 -0.34 0.00 0.00 43.02 43.59 1qgb s PHE 67 CO 0.01 -0.64 1.49 -3.47 -1.46 0.00 0.00 175.22 171.16 1qgb n ASP 68 N 5.38 5.35 -0.37 6.13 2.03 -0.59 -4.85 116.55 129.63 1qgb n ASP 68 Ca -0.10 -3.06 0.31 0.00 0.52 0.00 0.00 54.79 52.46 1qgb n ASP 68 Cb 0.50 -1.49 0.52 0.00 -0.72 0.00 0.00 41.12 39.93 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 4.34 -0.03 -0.39 -0.67 2.85 -1.26 0.11 118.16 123.12 1qgb n LYS 69 Ca 0.34 0.96 -0.06 0.00 -1.05 0.00 0.00 58.31 58.50 1qgb n LYS 69 Cb 0.40 -1.89 -0.03 0.00 -0.65 0.00 0.00 35.03 32.85 1qgb n LYS 69 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 177.40 179.23 1qgb h TYR 70 N 0.00 -1.51 -0.10 5.58 0.05 -1.99 -3.20 116.97 115.80 1qgb h TYR 70 Ca 0.68 0.12 -0.19 0.00 0.05 0.00 0.00 58.73 59.38 1qgb h TYR 70 Cb 2.20 0.80 -0.39 0.00 1.01 0.00 0.00 36.73 40.35 1qgb h TYR 70 CO -0.00 -0.39 -1.04 0.25 -1.05 0.00 0.00 178.16 175.93 1qgb n THR 71 N -5.36 0.29 -2.98 -2.88 -2.24 0.68 -5.08 114.28 96.72 1qgb n THR 71 Ca 0.06 -1.42 -0.01 0.00 -2.27 0.00 0.00 64.05 60.41 1qgb n THR 71 Cb 0.33 1.06 -0.01 0.00 -2.10 0.00 0.00 70.33 69.61 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 0.23 -1.56 3.27 3.38 0.00 0.12 -4.99 105.19 105.64 1qgb n GLY 72 Ca 0.05 0.39 -0.09 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.66 0.08 -0.26 1.61 0.01 -1.24 -4.87 114.94 109.60 1qgb s ASN 73 Ca -0.05 -0.78 -0.02 0.00 -0.71 0.00 0.00 52.86 51.31 1qgb s ASN 73 Cb 0.00 0.39 0.08 0.00 0.41 0.00 0.00 41.25 42.14 1qgb s ASN 73 CO 0.25 -0.82 0.06 -0.89 -1.51 0.00 0.00 177.10 174.20 1qgb s THR 74 N -3.92 0.74 -0.81 1.60 2.01 -1.26 -1.54 115.64 112.46 1qgb s THR 74 Ca 0.12 -1.03 0.14 0.00 0.31 0.00 0.00 61.69 61.23 1qgb s THR 74 Cb 0.04 -1.40 0.46 0.00 0.01 0.00 0.00 72.50 71.61 1qgb s THR 74 CO -0.05 -0.46 1.38 0.00 -0.69 0.00 0.00 174.62 174.81 1qgb n TYR 75 N 4.93 0.80 -0.71 4.92 0.18 -1.26 -4.98 117.16 121.05 1qgb n TYR 75 Ca -0.06 -0.62 0.09 0.00 1.88 0.00 0.00 57.90 59.19 1qgb n TYR 75 Cb 0.44 -0.14 -0.02 0.00 -0.38 0.00 0.00 39.34 39.23 1qgb n TYR 75 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1qgb n ARG 76 N 0.41 -1.37 -0.91 -3.48 1.74 -1.26 -2.67 116.66 109.12 1qgb n ARG 76 Ca 0.17 0.92 -0.14 0.00 -0.77 0.00 0.00 57.85 58.03 1qgb n ARG 76 Cb 0.65 -1.70 0.17 0.00 -1.02 0.00 0.00 32.46 30.56 1qgb n ARG 76 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 1qgb n VAL 77 N -2.35 2.62 -1.60 1.55 3.14 -1.26 -3.96 118.33 116.46 1qgb n VAL 77 Ca 0.00 -1.42 0.00 0.00 -2.96 0.00 0.00 64.34 59.96 1qgb n VAL 77 Cb 0.58 -0.54 0.00 0.00 -1.06 0.00 0.00 33.84 32.82 1qgb n VAL 77 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1qgb n GLY 78 N -0.55 -0.73 2.88 7.55 0.00 -1.26 -4.87 105.19 108.22 1qgb n GLY 78 Ca 0.42 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.28 1.16 0.46 1.61 1.11 -1.09 -5.14 116.67 114.50 1qgb s ASP 79 Ca 0.00 -0.14 -0.00 0.00 0.18 0.00 0.00 52.55 52.59 1qgb s ASP 79 Cb 0.00 -0.49 -0.00 0.00 1.07 0.00 0.00 42.92 43.50 1qgb s ASP 79 CO 0.00 -0.08 0.69 0.42 1.18 0.00 0.00 175.17 177.38 1qgb s THR 80 N 1.12 4.04 0.23 -1.27 -4.23 -1.26 -4.42 115.64 109.85 1qgb s THR 80 Ca -0.08 -0.43 -0.20 0.00 -1.18 0.00 0.00 61.69 59.80 1qgb s THR 80 Cb -0.14 -3.50 0.03 0.00 1.34 0.00 0.00 72.50 70.23 1qgb s THR 80 CO -0.01 -0.37 0.63 -0.72 -0.54 0.00 0.00 174.62 173.61 1qgb s TYR 81 N -2.59 -0.24 -0.23 3.99 1.13 -0.85 -5.05 117.35 113.52 1qgb s TYR 81 Ca 0.48 -0.12 -0.00 0.00 -1.41 0.00 0.00 57.07 56.02 1qgb s TYR 81 Cb -0.10 0.57 0.03 0.00 -1.10 0.00 0.00 41.96 41.35 1qgb s TYR 81 CO 0.39 -1.05 -0.11 -2.00 -2.51 0.00 0.00 175.55 170.27 1qgb s GLU 82 N -3.87 2.84 -0.21 -3.49 2.12 -1.26 -1.79 118.70 113.03 1qgb s GLU 82 Ca 0.09 -0.96 0.00 0.00 0.36 0.00 0.00 54.97 54.46 1qgb s GLU 82 Cb -0.03 -2.84 0.03 0.00 0.26 0.00 0.00 34.13 31.54 1qgb s GLU 82 CO -0.00 -0.35 -0.14 1.03 -0.54 0.00 0.00 175.26 175.26 1qgb s ARG 83 N 1.29 2.85 -0.46 4.30 1.81 -1.12 -4.97 118.95 122.66 1qgb s ARG 83 Ca 0.01 -0.94 -0.28 0.00 -1.72 0.00 0.00 55.73 52.80 1qgb s ARG 83 Cb -0.16 -2.76 -0.00 0.00 -0.45 0.00 0.00 34.95 31.58 1qgb s ARG 83 CO -0.07 -0.32 1.63 -1.25 -0.68 0.00 0.00 175.30 174.61 1qgb s PRO 84 N 1.28 3.25 -0.30 3.54 0.04 -1.26 -3.74 135.00 137.81 1qgb s PRO 84 Ca 0.01 0.93 0.01 0.00 0.04 0.00 0.00 61.00 61.99 1qgb s PRO 84 Cb -0.15 -4.17 0.07 0.00 0.04 0.00 0.00 34.50 30.28 1qgb s PRO 84 CO -0.09 -1.97 -0.03 0.15 0.04 0.00 0.00 177.00 175.11 1qgb s LYS 85 N 5.71 2.18 2.39 4.56 -0.14 -1.09 -5.01 119.74 128.34 1qgb s LYS 85 Ca 0.67 -1.43 0.00 0.00 -1.36 0.00 0.00 55.97 53.85 1qgb s LYS 85 Cb -0.16 -3.09 0.00 0.00 -1.68 0.00 0.00 37.83 32.91 1qgb s LYS 85 CO 0.29 -0.68 0.00 -3.47 -0.76 0.00 0.00 175.35 170.73 1qgb n ASP 86 N 4.49 0.00 -0.07 2.83 2.03 -1.26 -3.64 116.55 120.93 1qgb n ASP 86 Ca -0.10 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.26 1qgb n ASP 86 Cb 0.42 0.00 0.29 0.00 -0.72 0.00 0.00 41.12 41.11 1qgb n ASP 86 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1qgb n SER 87 N 0.57 0.21 -4.01 1.67 7.64 -1.26 -4.78 113.62 113.65 1qgb n SER 87 Ca 0.00 -1.71 -0.11 0.00 1.01 0.00 0.00 58.87 58.06 1qgb n SER 87 Cb 0.00 -0.02 -0.11 0.00 -1.01 0.00 0.00 64.21 63.07 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 -1.96 0.41 0.17 1.43 0.00 -1.24 -5.16 119.30 112.94 1qgb s MET 88 Ca 0.16 -0.64 0.07 0.00 0.00 0.00 0.00 55.69 55.28 1qgb s MET 88 Cb 0.08 -0.11 -0.04 0.00 0.00 0.00 0.00 34.83 34.76 1qgb s MET 88 CO 0.12 0.01 0.01 0.42 0.00 0.00 0.00 175.02 175.58 1qgb s ILE 89 N -1.31 3.79 0.01 10.11 1.01 -1.26 -2.68 121.20 130.86 1qgb s ILE 89 Ca -0.12 -1.36 -0.05 0.00 0.00 0.00 0.00 60.65 59.12 1qgb s ILE 89 Cb -0.09 -2.90 -0.01 0.00 0.01 0.00 0.00 42.46 39.47 1qgb s ILE 89 CO -0.00 -0.09 0.08 0.26 0.00 0.00 0.00 174.94 175.19 1qgb s TRP 90 N -1.69 0.11 -1.46 3.97 0.52 -1.25 -3.17 118.94 115.98 1qgb s TRP 90 Ca 0.27 -0.26 -0.11 0.00 0.02 0.00 0.00 56.10 56.02 1qgb s TRP 90 Cb -0.10 -0.09 0.03 0.00 -1.15 0.00 0.00 33.47 32.17 1qgb s TRP 90 CO 0.19 -0.26 2.42 -3.47 0.02 0.00 0.00 176.95 175.85 1qgb n ASP 91 N 1.48 6.26 -4.56 2.95 2.03 0.58 -2.79 116.55 122.51 1qgb n ASP 91 Ca -0.23 -2.85 -0.47 0.00 0.52 0.00 0.00 54.79 51.76 1qgb n ASP 91 Cb 0.55 -1.55 -0.03 0.00 -0.72 0.00 0.00 41.12 39.37 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 -0.61 -0.01 -1.09 0.00 2.01 0.61 -2.01 115.64 114.54 1qgb s THR 93 Ca 0.67 0.04 -0.19 0.00 0.31 0.00 0.00 61.69 62.52 1qgb s THR 93 Cb -0.80 -0.27 -0.07 0.00 0.01 0.00 0.00 72.50 71.37 1qgb s THR 93 CO 0.56 0.02 2.01 0.00 -0.69 0.00 0.00 174.62 176.52 1qgb n ILE 95 N 5.91 3.86 0.00 0.00 5.41 -0.10 -4.44 119.36 130.00 1qgb n ILE 95 Ca 0.50 -3.06 0.00 0.00 1.00 0.00 0.00 62.75 61.19 1qgb n ILE 95 Cb 0.41 -2.57 0.00 0.00 -0.71 0.00 0.00 39.64 36.77 1qgb n ILE 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1qgb n GLY 96 N 3.73 -0.42 1.49 7.39 0.00 -1.24 -1.36 105.19 114.78 1qgb n GLY 96 Ca 0.59 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.79 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 0.00 -2.97 -0.67 4.61 0.00 -1.26 -4.48 120.51 115.73 1qgb n ALA 97 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1qgb n ALA 97 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.46 0.84 1.99 0.00 0.00 -1.26 -4.59 105.19 101.71 1qgb n GLY 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1qgb n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qgb n ARG 99 N -2.00 0.00 0.00 1.61 1.74 -1.26 -5.08 116.66 111.66 1qgb n ARG 99 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1qgb n ARG 99 Cb 0.00 -0.01 0.00 0.00 -1.02 0.00 0.00 32.46 31.43 1qgb n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qgb n GLY 100 N 1.52 1.41 0.00 -0.13 0.00 -1.26 -5.03 105.19 101.70 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 -2.62 1.61 0.00 -0.46 -4.82 116.66 110.36 1qgb n ARG 101 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.43 1qgb n ARG 101 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 32.46 32.47 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 -0.01 5.49 -1.10 8.89 5.41 -1.26 -0.93 119.36 135.85 1qgb n ILE 102 Ca 0.00 -5.51 -0.36 0.00 1.00 0.00 0.00 62.75 57.88 1qgb n ILE 102 Cb 0.00 -1.92 0.06 0.00 -0.71 0.00 0.00 39.64 37.07 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 1.20 -3.42 -3.32 4.38 2.88 -0.96 -4.44 113.62 109.92 1qgb n SER 103 Ca 0.41 0.43 -0.11 0.00 -1.33 0.00 0.00 58.87 58.27 1qgb n SER 103 Cb 0.30 -0.99 -0.06 0.00 -0.75 0.00 0.00 64.21 62.70 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 2.14 4.96 0.45 0.00 -1.32 -1.26 -4.74 115.64 115.88 1qgb s THR 105 Ca 0.12 0.37 -0.24 0.00 -1.21 0.00 0.00 61.69 60.73 1qgb s THR 105 Cb -0.13 -3.64 -0.07 0.00 -1.51 0.00 0.00 72.50 67.15 1qgb s THR 105 CO -0.21 -0.11 1.28 -0.63 -2.21 0.00 0.00 174.62 172.73 1qgb s ILE 106 N -1.86 2.64 0.00 5.08 1.09 -1.26 0.22 121.20 127.10 1qgb s ILE 106 Ca 0.46 0.53 0.00 0.00 -1.10 0.00 0.00 60.65 60.54 1qgb s ILE 106 Cb -0.11 -3.29 0.00 0.00 -1.06 0.00 0.00 42.46 38.00 1qgb s ILE 106 CO 0.23 0.04 0.00 0.00 -0.10 0.00 0.00 174.94 175.11 1qgb n ALA 107 N -0.29 0.00 -2.72 9.38 0.00 -1.19 -4.68 120.51 121.01 1qgb n ALA 107 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.40 1qgb n ALA 107 Cb 0.45 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.82 1qgb n ALA 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1qgb s ASN 108 N -4.00 0.07 0.00 0.00 4.22 -1.26 -3.71 114.94 110.25 1qgb s ASN 108 Ca 0.00 -0.49 0.00 0.00 -2.14 0.00 0.00 52.86 50.23 1qgb s ASN 108 Cb 0.00 0.32 0.00 0.00 1.28 0.00 0.00 41.25 42.85 1qgb s ASN 108 CO 0.00 -0.64 0.00 0.54 -2.04 0.00 0.00 177.10 174.96