#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 -2.74 0.00 4.33 4.01 -1.26 -4.99 118.16 117.51 1qgb n LYS 18 Ca 0.00 2.32 0.00 0.00 -0.51 0.00 0.00 58.31 60.12 1qgb n LYS 18 Cb 0.00 -4.37 0.00 0.00 -0.51 0.00 0.00 35.03 30.15 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 0.82 0.36 -0.79 1.97 -0.02 -1.26 -4.92 135.00 131.16 1qgb n PRO 19 Ca 0.00 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.58 1qgb n PRO 19 Cb 0.13 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.56 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 0.00 -2.85 2.88 -1.23 0.00 -1.26 -4.90 105.19 97.83 1qgb n GLY 20 Ca 0.00 -1.24 -0.30 0.00 0.00 0.00 0.00 46.02 44.48 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 1.44 3.33 0.00 0.00 5.04 -1.26 -3.61 117.35 122.29 1qgb s TYR 22 Ca -0.00 1.07 0.00 0.00 -2.44 0.00 0.00 57.07 55.70 1qgb s TYR 22 Cb -0.18 -2.98 0.00 0.00 0.35 0.00 0.00 41.96 39.15 1qgb s TYR 22 CO -0.10 -0.34 0.00 -0.40 -1.34 0.00 0.00 175.55 173.37 1qgb n ASP 23 N 5.74 0.00 0.00 4.32 5.75 0.54 -4.97 116.55 127.93 1qgb n ASP 23 Ca 0.03 -0.03 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 1qgb n ASP 23 Cb 0.48 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 1qgb n ASP 23 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1qgb n ASN 24 N -0.09 0.00 -1.73 -1.12 2.85 -1.26 -3.75 115.26 110.17 1qgb n ASN 24 Ca 0.00 0.54 -0.00 0.00 -0.11 0.00 0.00 54.58 55.01 1qgb n ASN 24 Cb 0.00 -0.16 0.07 0.00 1.24 0.00 0.00 39.78 40.92 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 -0.93 2.67 2.89 8.20 0.00 -1.26 -5.06 105.19 111.70 1qgb n GLY 25 Ca 0.00 -1.21 -0.12 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.06 0.04 -0.51 1.61 2.47 -1.25 -5.11 119.74 114.93 1qgb s LYS 26 Ca 0.35 -0.06 0.04 0.00 -1.56 0.00 0.00 55.97 54.74 1qgb s LYS 26 Cb 0.37 0.02 0.13 0.00 -1.46 0.00 0.00 37.83 36.89 1qgb s LYS 26 CO -0.09 -0.01 0.26 -1.58 0.16 0.00 0.00 175.35 174.09 1qgb s HIS 27 N -0.17 3.13 0.51 4.03 2.46 -1.26 -0.34 115.29 123.66 1qgb s HIS 27 Ca -0.02 -3.14 -0.05 0.00 0.47 0.00 0.00 55.06 52.32 1qgb s HIS 27 Cb -0.01 -2.78 -0.02 0.00 -0.13 0.00 0.00 32.58 29.64 1qgb s HIS 27 CO -0.00 -0.74 0.82 0.71 -2.47 0.00 0.00 174.74 173.05 1qgb s TYR 28 N -0.25 3.46 0.41 3.88 2.02 -1.24 -4.99 117.35 120.64 1qgb s TYR 28 Ca 0.17 0.74 -0.08 0.00 -0.37 0.00 0.00 57.07 57.53 1qgb s TYR 28 Cb -0.26 -2.43 -0.05 0.00 -0.40 0.00 0.00 41.96 38.82 1qgb s TYR 28 CO -0.00 -0.45 0.74 -1.14 -1.57 0.00 0.00 175.55 173.13 1qgb s GLN 29 N -4.81 3.68 0.47 -0.62 0.74 -1.26 -3.12 119.66 114.74 1qgb s GLN 29 Ca 0.49 0.31 -0.20 0.00 0.05 0.00 0.00 55.36 56.01 1qgb s GLN 29 Cb -0.10 -2.43 -0.13 0.00 1.10 0.00 0.00 33.01 31.45 1qgb s GLN 29 CO 0.45 -0.05 0.32 -0.89 -0.55 0.00 0.00 175.29 174.57 1qgb n ILE 30 N -1.54 1.31 -1.16 -2.34 -0.00 -1.26 -0.77 119.36 113.61 1qgb n ILE 30 Ca 0.01 -0.50 -0.05 0.00 -0.00 0.00 0.00 62.75 62.21 1qgb n ILE 30 Cb 0.54 -0.36 -0.02 0.00 -0.00 0.00 0.00 39.64 39.80 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 1.55 -5.12 -4.91 4.38 3.02 0.22 -4.95 115.26 109.44 1qgb n ASN 31 Ca 0.11 0.13 -0.32 0.00 -0.03 0.00 0.00 54.58 54.47 1qgb n ASN 31 Cb 0.43 -3.10 -0.04 0.00 -0.61 0.00 0.00 39.78 36.46 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 -2.13 3.45 0.13 3.52 0.74 0.05 -4.82 119.66 120.61 1qgb s GLN 32 Ca 0.00 -0.38 0.09 0.00 0.05 0.00 0.00 55.36 55.12 1qgb s GLN 32 Cb 0.00 -3.05 -0.04 0.00 1.10 0.00 0.00 33.01 31.02 1qgb s GLN 32 CO 0.00 0.63 -0.16 -0.65 -0.55 0.00 0.00 175.29 174.55 1qgb s GLN 33 N -2.31 1.83 0.17 1.67 -0.21 -1.26 -0.37 119.66 119.18 1qgb s GLN 33 Ca 0.33 -1.21 -0.03 0.00 0.02 0.00 0.00 55.36 54.47 1qgb s GLN 33 Cb -0.13 -2.12 0.01 0.00 1.00 0.00 0.00 33.01 31.78 1qgb s GLN 33 CO 0.25 0.47 0.27 -2.67 -2.12 0.00 0.00 175.29 171.49 1qgb n TRP 34 N 0.63 -1.16 -4.84 0.91 2.14 -0.86 -5.01 117.44 109.25 1qgb n TRP 34 Ca -0.14 -1.00 -0.33 0.00 2.07 0.00 0.00 57.50 58.10 1qgb n TRP 34 Cb 0.53 0.31 -0.14 0.00 -0.81 0.00 0.00 31.31 31.20 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 -2.25 3.14 0.15 -2.67 2.12 -1.26 -1.81 118.70 116.11 1qgb s GLU 35 Ca 0.11 -0.71 -0.01 0.00 0.36 0.00 0.00 54.97 54.73 1qgb s GLU 35 Cb -0.01 -2.54 -0.04 0.00 0.26 0.00 0.00 34.13 31.80 1qgb s GLU 35 CO 0.08 0.31 0.06 0.50 -0.54 0.00 0.00 175.26 175.67 1qgb s ARG 36 N 0.08 0.99 -0.02 4.30 3.52 0.19 -4.90 118.95 123.12 1qgb s ARG 36 Ca -0.06 -1.48 0.01 0.00 -0.13 0.00 0.00 55.73 54.07 1qgb s ARG 36 Cb -0.15 0.17 0.01 0.00 -1.56 0.00 0.00 34.95 33.42 1qgb s ARG 36 CO 0.05 -0.26 -0.03 -0.08 -0.81 0.00 0.00 175.30 174.17 1qgb s THR 37 N -4.01 0.30 -0.15 4.11 -1.32 -1.26 0.19 115.64 113.50 1qgb s THR 37 Ca 0.26 -0.09 0.02 0.00 -1.21 0.00 0.00 61.69 60.67 1qgb s THR 37 Cb 0.07 -0.30 0.00 0.00 -1.51 0.00 0.00 72.50 70.77 1qgb s THR 37 CO 0.04 0.12 -0.19 -0.47 -2.21 0.00 0.00 174.62 171.90 1qgb s TYR 38 N 0.34 2.72 -0.72 9.09 6.14 -1.01 -4.58 117.35 129.33 1qgb s TYR 38 Ca -0.03 -1.20 0.00 0.00 0.64 0.00 0.00 57.07 56.47 1qgb s TYR 38 Cb -0.07 -1.85 0.00 0.00 0.42 0.00 0.00 41.96 40.47 1qgb s TYR 38 CO -0.01 -0.55 0.00 1.28 0.64 0.00 0.00 175.55 176.92 1qgb n LEU 39 N 4.05 -0.09 -0.46 6.97 4.32 -1.26 -2.60 117.00 127.94 1qgb n LEU 39 Ca -0.20 0.17 0.00 0.00 -0.02 0.00 0.00 56.01 55.96 1qgb n LEU 39 Cb 0.52 -2.09 0.00 0.00 -1.62 0.00 0.00 43.42 40.23 1qgb n LEU 39 CO 0.28 -0.76 0.00 0.61 -1.22 0.00 0.00 177.39 176.29 1qgb n GLY 40 N -0.52 0.74 2.91 -0.72 0.00 -1.26 -5.09 105.19 101.24 1qgb n GLY 40 Ca -0.07 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.46 0.23 0.32 1.61 0.01 -1.07 -5.13 114.94 108.45 1qgb s ASN 41 Ca 0.00 0.36 -0.15 0.00 -0.71 0.00 0.00 52.86 52.36 1qgb s ASN 41 Cb 0.00 0.29 -0.12 0.00 0.41 0.00 0.00 41.25 41.83 1qgb s ASN 41 CO 0.00 -0.19 0.03 0.00 -1.51 0.00 0.00 177.10 175.42 1qgb n ALA 42 N 4.72 -2.61 -3.50 0.60 0.00 -1.26 -2.40 120.51 116.05 1qgb n ALA 42 Ca -0.17 0.06 -0.10 0.00 0.00 0.00 0.00 53.44 53.23 1qgb n ALA 42 Cb 0.51 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 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 3.40 -0.43 -0.04 0.00 2.96 0.49 -4.45 118.68 120.61 1qgb s LEU 43 Ca 0.44 0.12 0.04 0.00 -0.22 0.00 0.00 54.13 54.51 1qgb s LEU 43 Cb -0.45 2.15 -0.00 0.00 0.50 0.00 0.00 46.19 48.38 1qgb s LEU 43 CO 0.48 -0.65 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.00 1qgb s VAL 44 N -2.80 1.41 0.31 1.68 1.01 0.99 0.54 120.40 123.54 1qgb s VAL 44 Ca 0.02 -0.71 0.10 0.00 0.00 0.00 0.00 61.98 61.40 1qgb s VAL 44 Cb -0.01 -1.21 -0.06 0.00 0.00 0.00 0.00 36.38 35.11 1qgb s VAL 44 CO -0.07 0.41 -0.11 0.00 0.00 0.00 0.00 175.10 175.32 1qgb s THR 46 N -2.53 -0.03 -0.08 0.00 2.01 -1.09 -2.02 115.64 111.89 1qgb s THR 46 Ca 0.32 0.12 -0.18 0.00 0.31 0.00 0.00 61.69 62.25 1qgb s THR 46 Cb -0.02 -0.43 -0.05 0.00 0.01 0.00 0.00 72.50 72.02 1qgb s THR 46 CO 0.17 0.05 0.49 0.00 -0.69 0.00 0.00 174.62 174.64 1qgb n TYR 48 N 3.25 0.00 -0.25 0.00 4.02 -1.26 0.71 117.16 123.63 1qgb n TYR 48 Ca -0.08 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.84 1qgb n TYR 48 Cb 0.52 -0.74 -0.01 0.00 -0.02 0.00 0.00 39.34 39.08 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 2.38 -1.85 2.45 2.72 0.00 -1.26 -4.35 105.19 105.27 1qgb n GLY 49 Ca -0.30 -1.44 -0.11 0.00 0.00 0.00 0.00 46.02 44.16 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 -2.43 1.19 2.13 -0.02 0.00 -1.26 -1.61 105.19 103.19 1qgb n GLY 50 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.31 0.00 0.16 1.61 7.64 -1.26 -4.90 113.62 116.56 1qgb n SER 51 Ca -0.11 0.00 0.16 0.00 1.01 0.00 0.00 58.87 59.93 1qgb n SER 51 Cb 0.43 0.00 0.75 0.00 -1.01 0.00 0.00 64.21 64.37 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 3.52 0.00 -1.23 1.43 2.47 -1.63 -3.48 114.38 115.46 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 0.00 -0.28 0.41 0.56 0.00 0.00 179.97 180.66 1qgb n GLY 53 N -1.51 -3.84 3.40 0.04 0.00 -1.26 -4.95 105.19 97.08 1qgb n GLY 53 Ca 0.03 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.23 -0.13 -0.19 1.61 -0.12 -1.26 -4.56 117.98 112.10 1qgb s PHE 54 Ca 0.00 0.60 -0.08 0.00 -0.05 0.00 0.00 56.93 57.40 1qgb s PHE 54 Cb 0.00 -3.08 0.08 0.00 -0.63 0.00 0.00 43.02 39.39 1qgb s PHE 54 CO 0.00 -4.57 0.42 -0.80 -0.05 0.00 0.00 175.22 170.22 1qgb s ASN 55 N -3.32 -0.36 0.18 1.98 0.02 -1.04 -4.95 114.94 107.45 1qgb s ASN 55 Ca 0.69 0.96 0.05 0.00 -1.02 0.00 0.00 52.86 53.54 1qgb s ASN 55 Cb -0.13 1.13 -0.04 0.00 0.02 0.00 0.00 41.25 42.23 1qgb s ASN 55 CO 0.58 -0.22 0.18 0.00 0.02 0.00 0.00 177.10 177.66 1qgb s GLU 57 N -3.27 0.89 0.29 0.00 -1.05 -0.35 -4.94 118.70 110.28 1qgb s GLU 57 Ca 0.32 -0.51 -0.30 0.00 -0.15 0.00 0.00 54.97 54.33 1qgb s GLU 57 Cb -0.10 0.29 -0.12 0.00 -0.44 0.00 0.00 34.13 33.76 1qgb s GLU 57 CO 0.25 -0.41 1.46 0.45 0.95 0.00 0.00 175.26 177.96 1qgb n SER 58 N -0.62 3.28 -4.33 0.83 2.88 -1.26 -0.01 113.62 114.39 1qgb n SER 58 Ca -0.06 1.17 -0.50 0.00 -1.33 0.00 0.00 58.87 58.14 1qgb n SER 58 Cb 0.61 -1.52 -0.05 0.00 -0.75 0.00 0.00 64.21 62.51 1qgb n SER 58 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1qgb n LYS 59 N 1.63 0.00 0.00 -1.46 3.00 -1.26 -4.69 118.16 115.38 1qgb n LYS 59 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 1qgb n LYS 59 Cb 0.35 -1.14 0.00 0.00 0.00 0.00 0.00 35.03 34.24 1qgb n LYS 59 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1qgb n PRO 60 N 1.14 0.33 0.10 1.64 -0.02 -1.26 -4.94 135.00 131.98 1qgb n PRO 60 Ca 0.18 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.60 1qgb n PRO 60 Cb 0.19 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.63 1qgb n PRO 60 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1qgb h GLU 61 N 0.00 -0.33 -2.71 -0.52 4.57 -1.97 -3.47 114.58 110.16 1qgb h GLU 61 Ca 0.00 0.02 -0.13 0.00 -1.18 0.00 0.00 59.36 58.07 1qgb h GLU 61 Cb 0.00 0.07 -0.27 0.00 -0.16 0.00 0.00 28.75 28.39 1qgb h GLU 61 CO 0.00 -0.15 -0.33 0.00 -1.18 0.00 0.00 179.01 177.35 1qgb s ALA 62 N -3.47 -0.97 -0.14 2.92 0.00 -1.26 -5.04 121.76 113.81 1qgb s ALA 62 Ca -0.07 1.44 0.12 0.00 0.00 0.00 0.00 51.96 53.45 1qgb s ALA 62 Cb 0.00 -0.87 -0.24 0.00 0.00 0.00 0.00 23.12 22.01 1qgb s ALA 62 CO 0.21 -0.25 0.29 -1.91 0.00 0.00 0.00 175.76 174.10 1qgb n GLU 63 N 4.21 0.67 -2.18 0.00 2.13 -1.26 -4.44 120.64 119.78 1qgb n GLU 63 Ca -0.23 0.15 -0.39 0.00 0.66 0.00 0.00 57.16 57.35 1qgb n GLU 63 Cb 0.55 -1.64 0.01 0.00 0.27 0.00 0.00 31.44 30.62 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 -2.97 4.35 -2.50 5.31 2.13 -1.26 -1.21 120.64 124.49 1qgb n GLU 64 Ca -0.28 -3.81 -0.05 0.00 0.66 0.00 0.00 57.16 53.67 1qgb n GLU 64 Cb 1.09 -2.44 0.01 0.00 0.27 0.00 0.00 31.44 30.37 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 0.52 0.00 -3.28 6.31 -2.24 -1.26 -4.55 114.28 109.77 1qgb n THR 65 Ca 0.53 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1qgb n THR 65 Cb 0.29 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 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 -2.60 -1.49 -1.12 0.00 5.36 -1.26 -4.49 117.98 112.39 1qgb s PHE 67 Ca 0.00 0.74 -0.22 0.00 -0.96 0.00 0.00 56.93 56.49 1qgb s PHE 67 Cb 0.00 0.26 -0.04 0.00 -0.34 0.00 0.00 43.02 42.90 1qgb s PHE 67 CO 0.00 -0.90 1.87 -0.51 -1.46 0.00 0.00 175.22 174.22 1qgb s ASP 68 N 2.66 5.47 0.54 6.13 1.11 0.37 -4.77 116.67 128.17 1qgb s ASP 68 Ca 0.15 -1.52 0.49 0.00 0.18 0.00 0.00 52.55 51.85 1qgb s ASP 68 Cb -0.07 -2.58 1.69 0.00 1.07 0.00 0.00 42.92 43.03 1qgb s ASP 68 CO -0.22 -2.56 1.52 2.29 1.18 0.00 0.00 175.17 177.38 1qgb n LYS 69 N 8.50 -0.00 0.35 8.23 2.85 -1.26 0.22 118.16 137.05 1qgb n LYS 69 Ca 0.43 1.07 -0.16 0.00 -1.05 0.00 0.00 58.31 58.59 1qgb n LYS 69 Cb 0.47 -2.44 -0.08 0.00 -0.65 0.00 0.00 35.03 32.32 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 -1.12 -0.23 5.58 0.05 -1.97 -3.26 116.97 116.02 1qgb h TYR 70 Ca 0.92 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.69 1qgb h TYR 70 Cb 3.67 0.41 0.00 0.00 1.01 0.00 0.00 36.73 41.82 1qgb h TYR 70 CO -0.00 -0.61 0.00 0.25 -1.05 0.00 0.00 178.16 176.75 1qgb n THR 71 N -5.03 2.19 -4.14 -2.88 -2.24 0.56 -4.99 114.28 97.75 1qgb n THR 71 Ca -0.12 -1.88 -0.37 0.00 -2.27 0.00 0.00 64.05 59.41 1qgb n THR 71 Cb 0.42 -0.22 -0.04 0.00 -2.10 0.00 0.00 70.33 68.39 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 -0.57 -0.44 3.39 3.38 0.00 0.60 -4.94 105.19 106.61 1qgb n GLY 72 Ca 0.20 0.24 -0.20 0.00 0.00 0.00 0.00 46.02 46.25 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 -3.97 2.94 0.17 1.61 -0.87 -1.22 -4.87 114.94 108.74 1qgb s ASN 73 Ca 0.23 -1.03 0.03 0.00 -1.57 0.00 0.00 52.86 50.52 1qgb s ASN 73 Cb -0.13 -0.20 -0.03 0.00 -0.02 0.00 0.00 41.25 40.87 1qgb s ASN 73 CO 0.93 -0.10 0.28 -0.89 -2.57 0.00 0.00 177.10 174.75 1qgb s THR 74 N -2.81 5.24 0.07 1.60 2.01 -1.26 -0.48 115.64 120.01 1qgb s THR 74 Ca 0.25 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.49 1qgb s THR 74 Cb -0.02 -3.72 -0.01 0.00 0.01 0.00 0.00 72.50 68.76 1qgb s THR 74 CO 0.10 -0.13 0.06 -1.22 -0.69 0.00 0.00 174.62 172.73 1qgb n TYR 75 N -0.68 -0.15 -4.07 4.92 4.01 -1.26 -4.98 117.16 114.96 1qgb n TYR 75 Ca -0.07 -0.60 -0.25 0.00 -0.16 0.00 0.00 57.90 56.81 1qgb n TYR 75 Cb 0.55 0.06 -0.05 0.00 -0.31 0.00 0.00 39.34 39.58 1qgb n TYR 75 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1qgb s ARG 76 N -2.30 2.99 -0.19 -0.72 3.52 -1.26 -4.09 118.95 116.90 1qgb s ARG 76 Ca 0.08 -0.86 0.04 0.00 -0.13 0.00 0.00 55.73 54.87 1qgb s ARG 76 Cb 0.00 -2.68 0.39 0.00 -1.56 0.00 0.00 34.95 31.11 1qgb s ARG 76 CO 0.06 0.48 1.35 0.28 -0.81 0.00 0.00 175.30 176.66 1qgb n VAL 77 N -0.51 1.88 -1.71 7.11 0.31 -1.26 -3.76 118.33 120.38 1qgb n VAL 77 Ca -0.08 -0.90 0.01 0.00 -0.01 0.00 0.00 64.34 63.35 1qgb n VAL 77 Cb 0.55 -0.58 0.01 0.00 -0.91 0.00 0.00 33.84 32.91 1qgb n VAL 77 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qgb n GLY 78 N -0.07 0.12 2.92 2.92 0.00 -1.26 -4.90 105.19 104.91 1qgb n GLY 78 Ca 0.25 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.92 -0.06 -0.36 1.61 2.15 -1.25 -5.13 116.67 112.71 1qgb s ASP 79 Ca 0.02 0.16 -0.18 0.00 0.43 0.00 0.00 52.55 52.98 1qgb s ASP 79 Cb 0.02 0.13 0.00 0.00 -0.30 0.00 0.00 42.92 42.76 1qgb s ASP 79 CO 0.00 -0.06 0.52 0.42 -0.17 0.00 0.00 175.17 175.88 1qgb s THR 80 N 0.40 5.00 -0.13 1.71 -4.23 -1.26 -4.01 115.64 113.11 1qgb s THR 80 Ca -0.03 0.27 -0.06 0.00 -1.18 0.00 0.00 61.69 60.69 1qgb s THR 80 Cb -0.04 -4.00 -0.04 0.00 1.34 0.00 0.00 72.50 69.76 1qgb s THR 80 CO -0.01 -0.27 0.08 -0.72 -0.54 0.00 0.00 174.62 173.15 1qgb s TYR 81 N 2.42 3.37 0.38 3.99 1.13 -0.98 -4.92 117.35 122.73 1qgb s TYR 81 Ca 0.19 0.30 0.04 0.00 -1.41 0.00 0.00 57.07 56.18 1qgb s TYR 81 Cb -0.15 -1.95 -0.01 0.00 -1.10 0.00 0.00 41.96 38.75 1qgb s TYR 81 CO 0.14 0.47 0.54 -1.21 -2.51 0.00 0.00 175.55 172.98 1qgb s GLU 82 N -0.50 3.11 -0.27 -3.49 2.02 -1.26 0.49 118.70 118.79 1qgb s GLU 82 Ca 0.11 -0.80 -0.07 0.00 0.02 0.00 0.00 54.97 54.22 1qgb s GLU 82 Cb -0.12 -2.72 0.13 0.00 0.10 0.00 0.00 34.13 31.52 1qgb s GLU 82 CO 0.02 -0.05 0.58 1.03 0.02 0.00 0.00 175.26 176.85 1qgb s ARG 83 N -4.31 0.51 -0.54 1.61 3.00 -1.16 -4.83 118.95 113.23 1qgb s ARG 83 Ca 0.46 1.24 -0.27 0.00 0.00 0.00 0.00 55.73 57.15 1qgb s ARG 83 Cb -0.10 0.63 -0.01 0.00 0.00 0.00 0.00 34.95 35.47 1qgb s ARG 83 CO 0.34 -0.31 1.75 -1.25 0.00 0.00 0.00 175.30 175.82 1qgb s PRO 84 N 2.81 2.94 0.14 3.54 0.04 -1.26 -3.41 135.00 139.80 1qgb s PRO 84 Ca 0.01 0.76 0.02 0.00 0.04 0.00 0.00 61.00 61.83 1qgb s PRO 84 Cb -0.13 -4.28 -0.04 0.00 0.04 0.00 0.00 34.50 30.08 1qgb s PRO 84 CO -0.18 -2.35 -0.05 0.21 0.04 0.00 0.00 177.00 174.67 1qgb s LYS 85 N 6.38 1.00 -1.09 4.56 2.20 0.30 -4.81 119.74 128.28 1qgb s LYS 85 Ca 0.67 -1.44 -0.02 0.00 -0.36 0.00 0.00 55.97 54.82 1qgb s LYS 85 Cb -0.14 -0.34 0.01 0.00 -1.51 0.00 0.00 37.83 35.84 1qgb s LYS 85 CO 0.25 -0.03 0.10 -0.25 -0.36 0.00 0.00 175.35 175.05 1qgb n ASP 86 N -0.16 -3.89 0.00 1.43 9.92 -1.26 0.12 116.55 122.70 1qgb n ASP 86 Ca -0.10 0.09 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1qgb n ASP 86 Cb 0.62 -3.29 0.00 0.00 -0.64 0.00 0.00 41.12 37.81 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 -1.90 -2.30 -3.92 -2.24 3.41 -1.26 -4.95 113.62 100.45 1qgb n SER 87 Ca -0.12 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.25 1qgb n SER 87 Cb 0.60 -1.47 -0.08 0.00 -0.26 0.00 0.00 64.21 63.00 1qgb n SER 87 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1qgb s MET 88 N -0.67 1.89 0.05 4.33 1.00 0.31 -5.15 119.30 121.07 1qgb s MET 88 Ca 0.00 -2.15 0.07 0.00 0.00 0.00 0.00 55.69 53.62 1qgb s MET 88 Cb 0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 34.83 34.44 1qgb s MET 88 CO 0.00 -0.53 -0.19 0.42 0.00 0.00 0.00 175.02 174.72 1qgb s ILE 89 N -3.27 2.71 -0.08 2.53 1.01 -1.26 0.11 121.20 122.94 1qgb s ILE 89 Ca 0.28 -1.23 -0.04 0.00 0.00 0.00 0.00 60.65 59.66 1qgb s ILE 89 Cb 0.02 -2.14 0.04 0.00 0.01 0.00 0.00 42.46 40.40 1qgb s ILE 89 CO 0.18 0.33 0.19 0.26 0.00 0.00 0.00 174.94 175.89 1qgb s TRP 90 N -0.92 -0.23 -0.72 3.97 0.52 -1.22 -3.71 118.94 116.63 1qgb s TRP 90 Ca 0.14 0.62 -0.26 0.00 0.02 0.00 0.00 56.10 56.63 1qgb s TRP 90 Cb -0.10 -0.06 -0.05 0.00 -1.15 0.00 0.00 33.47 32.10 1qgb s TRP 90 CO 0.05 -0.21 2.06 0.16 0.02 0.00 0.00 176.95 179.03 1qgb s ASP 91 N 1.37 4.89 -0.84 2.95 1.47 -0.31 -2.99 116.67 123.22 1qgb s ASP 91 Ca -0.08 0.06 -0.25 0.00 1.18 0.00 0.00 52.55 53.46 1qgb s ASP 91 Cb -0.11 -2.54 0.03 0.00 -0.34 0.00 0.00 42.92 39.96 1qgb s ASP 91 CO -0.07 -2.81 1.39 0.00 0.68 0.00 0.00 175.17 174.36 1qgb s THR 93 N 5.76 3.74 -0.76 0.00 2.01 0.34 -2.32 115.64 124.41 1qgb s THR 93 Ca 0.41 1.17 -0.03 0.00 0.31 0.00 0.00 61.69 63.56 1qgb s THR 93 Cb -0.05 -3.53 0.25 0.00 0.01 0.00 0.00 72.50 69.18 1qgb s THR 93 CO 0.06 -0.14 2.26 0.00 -0.69 0.00 0.00 174.62 176.11 1qgb h ILE 95 N 2.03 0.30 -0.29 0.00 2.04 -1.90 -3.39 117.51 116.30 1qgb h ILE 95 Ca 0.52 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 66.27 1qgb h ILE 95 Cb 0.27 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 1qgb h ILE 95 CO 1.25 0.06 0.00 0.61 0.00 0.00 0.00 178.15 180.07 1qgb n GLY 96 N -1.30 0.35 1.22 5.37 0.00 -1.26 -4.94 105.19 104.63 1qgb n GLY 96 Ca 0.31 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 0.84 -2.45 0.00 4.61 0.00 -0.35 -4.57 120.51 118.60 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 0.09 2.73 1.50 0.00 0.00 -1.26 -4.65 105.19 103.60 1qgb n GLY 98 Ca 0.00 -0.81 -0.03 0.00 0.00 0.00 0.00 46.02 45.18 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 0.00 0.42 -3.02 1.61 0.00 -1.26 -4.98 116.66 109.43 1qgb n ARG 99 Ca 0.00 -0.73 -0.15 0.00 -0.00 0.00 0.00 57.85 56.96 1qgb n ARG 99 Cb 0.00 0.40 0.02 0.00 0.00 0.00 0.00 32.46 32.88 1qgb n ARG 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1qgb n GLY 100 N -0.48 -0.96 2.75 5.14 0.00 -1.26 -4.92 105.19 105.46 1qgb n GLY 100 Ca -0.16 1.22 -0.36 0.00 0.00 0.00 0.00 46.02 46.73 1qgb n GLY 100 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1qgb n ARG 101 N -0.33 4.14 -1.60 1.61 0.00 -1.26 -4.76 116.66 114.47 1qgb n ARG 101 Ca 0.06 -4.46 -0.45 0.00 -0.00 0.00 0.00 57.85 53.01 1qgb n ARG 101 Cb 0.52 -2.35 -0.02 0.00 0.00 0.00 0.00 32.46 30.61 1qgb n ARG 101 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 1qgb n ILE 102 N -0.25 1.95 -4.88 5.15 -5.35 -1.26 -4.63 119.36 110.09 1qgb n ILE 102 Ca 0.44 -0.49 -0.33 0.00 -0.27 0.00 0.00 62.75 62.10 1qgb n ILE 102 Cb 0.33 -1.03 -0.15 0.00 -1.74 0.00 0.00 39.64 37.05 1qgb n ILE 102 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1qgb s SER 103 N -0.52 3.74 0.02 7.28 0.15 -1.03 -4.92 113.70 118.43 1qgb s SER 103 Ca 0.59 -0.40 0.08 0.00 0.70 0.00 0.00 55.95 56.92 1qgb s SER 103 Cb -0.70 -1.55 -0.03 0.00 -1.71 0.00 0.00 66.02 62.03 1qgb s SER 103 CO 0.60 0.16 -0.23 0.00 1.20 0.00 0.00 173.24 174.96 1qgb s THR 105 N -0.79 0.06 0.83 0.00 -1.32 -1.24 -4.91 115.64 108.26 1qgb s THR 105 Ca 0.12 -0.52 -0.13 0.00 -1.21 0.00 0.00 61.69 59.95 1qgb s THR 105 Cb -0.10 -0.89 0.09 0.00 -1.51 0.00 0.00 72.50 70.09 1qgb s THR 105 CO 0.02 -0.29 1.17 -0.38 -2.21 0.00 0.00 174.62 172.94 1qgb n ILE 106 N 0.68 1.67 -0.64 5.08 -0.00 -1.26 -1.16 119.36 123.73 1qgb n ILE 106 Ca -0.19 -0.17 0.06 0.00 -0.00 0.00 0.00 62.75 62.44 1qgb n ILE 106 Cb 0.59 -1.15 -0.01 0.00 -0.00 0.00 0.00 39.64 39.06 1qgb n ILE 106 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1qgb n ALA 107 N -3.45 -2.21 -1.27 -1.39 0.00 -1.24 -3.94 120.51 107.00 1qgb n ALA 107 Ca 0.13 0.13 -0.31 0.00 0.00 0.00 0.00 53.44 53.39 1qgb n ALA 107 Cb 0.51 -0.65 0.07 0.00 0.00 0.00 0.00 19.45 19.37 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 -4.33 7.42 0.00 0.00 5.15 -1.26 -4.14 115.26 118.10 1qgb n ASN 108 Ca 0.00 -3.63 0.00 0.00 -0.60 0.00 0.00 54.58 50.36 1qgb n ASN 108 Cb 0.19 -1.01 0.00 0.00 -0.53 0.00 0.00 39.78 38.43 1qgb n ASN 108 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20