#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 2.34 0.00 4.33 1.02 -1.26 -5.10 119.74 121.07 1qgb s LYS 18 Ca 0.00 -2.52 0.00 0.00 0.02 0.00 0.00 55.97 53.47 1qgb s LYS 18 Cb 0.00 -3.59 0.00 0.00 -0.52 0.00 0.00 37.83 33.72 1qgb s LYS 18 CO 0.00 -1.14 0.00 -2.30 -0.92 0.00 0.00 175.35 170.99 1qgb n PRO 19 N 3.42 0.02 0.00 -1.68 -0.02 -1.26 -4.84 135.00 130.65 1qgb n PRO 19 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1qgb n PRO 19 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.84 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 -1.18 3.09 -1.23 0.00 -1.26 -4.86 105.19 99.75 1qgb n GLY 20 Ca 0.00 -1.16 -0.26 0.00 0.00 0.00 0.00 46.02 44.60 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 0.35 3.11 -0.24 0.00 5.04 -1.26 -2.59 117.35 121.76 1qgb s TYR 22 Ca -0.10 -0.31 -0.17 0.00 -2.44 0.00 0.00 57.07 54.05 1qgb s TYR 22 Cb -0.14 -2.17 0.07 0.00 0.35 0.00 0.00 41.96 40.06 1qgb s TYR 22 CO 0.04 -0.22 0.60 0.34 -1.34 0.00 0.00 175.55 174.97 1qgb s ASP 23 N 1.22 -0.73 -0.20 4.32 -1.08 -0.83 -4.89 116.67 114.48 1qgb s ASP 23 Ca 0.04 1.27 0.00 0.00 -0.52 0.00 0.00 52.55 53.34 1qgb s ASP 23 Cb -0.14 1.20 0.00 0.00 -1.46 0.00 0.00 42.92 42.52 1qgb s ASP 23 CO 0.03 -0.22 0.00 -3.20 0.52 0.00 0.00 175.17 172.30 1qgb n ASN 24 N 3.64 -5.46 0.00 -0.34 5.15 -1.26 -1.32 115.26 115.67 1qgb n ASN 24 Ca -0.18 0.05 0.00 0.00 -0.60 0.00 0.00 54.58 53.85 1qgb n ASN 24 Cb 0.57 -3.13 0.00 0.00 -0.53 0.00 0.00 39.78 36.69 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 0.21 1.35 3.85 8.20 0.00 -1.26 -5.06 105.19 112.48 1qgb n GLY 25 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.87 3.96 -0.53 1.61 2.20 -0.44 -5.05 119.74 120.61 1qgb s LYS 26 Ca 0.00 0.48 0.02 0.00 -0.36 0.00 0.00 55.97 56.11 1qgb s LYS 26 Cb 0.00 -2.83 0.13 0.00 -1.51 0.00 0.00 37.83 33.63 1qgb s LYS 26 CO 0.00 0.41 0.29 -1.58 -0.36 0.00 0.00 175.35 174.11 1qgb s HIS 27 N -1.59 3.28 0.00 4.03 2.46 -1.26 -1.97 115.29 120.24 1qgb s HIS 27 Ca 0.42 -3.06 0.00 0.00 0.47 0.00 0.00 55.06 52.89 1qgb s HIS 27 Cb -0.14 -2.92 0.00 0.00 -0.13 0.00 0.00 32.58 29.39 1qgb s HIS 27 CO 0.20 -0.78 0.00 0.66 -2.47 0.00 0.00 174.74 172.35 1qgb n TYR 28 N 3.28 -2.30 -4.38 3.88 4.01 -1.07 -4.92 117.16 115.67 1qgb n TYR 28 Ca 0.06 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.55 1qgb n TYR 28 Cb 0.34 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.28 1qgb n TYR 28 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1qgb s GLN 29 N -1.66 1.95 0.68 -0.72 -0.21 -1.26 -3.67 119.66 114.77 1qgb s GLN 29 Ca 0.00 -1.55 -0.17 0.00 0.02 0.00 0.00 55.36 53.67 1qgb s GLN 29 Cb 0.00 -1.98 -0.04 0.00 1.00 0.00 0.00 33.01 31.99 1qgb s GLN 29 CO 0.00 0.36 0.64 -0.89 -2.12 0.00 0.00 175.29 173.28 1qgb n ILE 30 N -0.55 2.23 -1.51 1.08 -0.00 -1.26 -1.42 119.36 117.93 1qgb n ILE 30 Ca -0.07 -0.42 -0.16 0.00 -0.00 0.00 0.00 62.75 62.10 1qgb n ILE 30 Cb 0.59 -0.82 -0.06 0.00 -0.00 0.00 0.00 39.64 39.34 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 -0.40 -4.19 -4.90 4.38 3.02 -1.15 -4.93 115.26 107.08 1qgb n ASN 31 Ca 0.11 0.38 -0.29 0.00 -0.03 0.00 0.00 54.58 54.75 1qgb n ASN 31 Cb 0.49 -3.81 -0.04 0.00 -0.61 0.00 0.00 39.78 35.81 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 -3.42 3.31 0.04 3.52 0.74 -0.51 -4.84 119.66 118.50 1qgb s GLN 32 Ca 0.00 -0.57 0.08 0.00 0.05 0.00 0.00 55.36 54.92 1qgb s GLN 32 Cb 0.00 -2.94 -0.03 0.00 1.10 0.00 0.00 33.01 31.14 1qgb s GLN 32 CO 0.00 0.56 -0.20 -0.65 -0.55 0.00 0.00 175.29 174.45 1qgb s GLN 33 N -2.79 1.98 0.33 1.67 -0.21 -1.26 -0.43 119.66 118.95 1qgb s GLN 33 Ca 0.34 -1.03 -0.02 0.00 0.02 0.00 0.00 55.36 54.67 1qgb s GLN 33 Cb -0.12 -2.13 -0.00 0.00 1.00 0.00 0.00 33.01 31.76 1qgb s GLN 33 CO 0.27 0.53 0.43 1.67 -2.12 0.00 0.00 175.29 176.07 1qgb s TRP 34 N -0.90 1.11 -0.13 0.91 -2.14 0.02 -5.01 118.94 112.80 1qgb s TRP 34 Ca 0.14 -1.31 -0.03 0.00 2.66 0.00 0.00 56.10 57.56 1qgb s TRP 34 Cb -0.10 -0.17 -0.03 0.00 -3.10 0.00 0.00 33.47 30.07 1qgb s TRP 34 CO 0.04 -1.07 -0.01 -2.00 -2.66 0.00 0.00 176.95 171.25 1qgb s GLU 35 N -3.22 3.47 0.00 3.25 2.12 -1.26 -0.94 118.70 122.12 1qgb s GLU 35 Ca 0.32 -0.46 0.00 0.00 0.36 0.00 0.00 54.97 55.18 1qgb s GLU 35 Cb 0.00 -2.90 0.00 0.00 0.26 0.00 0.00 34.13 31.49 1qgb s GLU 35 CO 0.20 0.40 0.00 -2.13 -0.54 0.00 0.00 175.26 173.19 1qgb n ARG 36 N 3.07 0.81 -3.60 4.30 0.63 0.41 -4.87 116.66 117.40 1qgb n ARG 36 Ca -0.18 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.60 1qgb n ARG 36 Cb 0.53 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.37 1qgb n ARG 36 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 1qgb s THR 37 N -1.48 0.00 -0.04 5.15 -1.32 -1.26 0.13 115.64 116.83 1qgb s THR 37 Ca 0.00 -0.04 0.02 0.00 -1.21 0.00 0.00 61.69 60.46 1qgb s THR 37 Cb 0.00 -0.94 0.01 0.00 -1.51 0.00 0.00 72.50 70.07 1qgb s THR 37 CO 0.00 -0.02 -0.07 -0.47 -2.21 0.00 0.00 174.62 171.85 1qgb s TYR 38 N -0.49 0.92 -1.85 9.09 6.14 -0.50 -4.75 117.35 125.91 1qgb s TYR 38 Ca -0.06 -0.27 0.00 0.00 0.64 0.00 0.00 57.07 57.38 1qgb s TYR 38 Cb -0.03 -0.72 0.00 0.00 0.42 0.00 0.00 41.96 41.64 1qgb s TYR 38 CO 0.05 -0.16 0.00 -0.11 0.64 0.00 0.00 175.55 175.97 1qgb n LEU 39 N 3.70 -1.42 -0.57 6.97 7.94 -1.26 -1.65 117.00 130.70 1qgb n LEU 39 Ca -0.22 0.36 0.00 0.00 -1.11 0.00 0.00 56.01 55.04 1qgb n LEU 39 Cb 0.52 -2.60 0.00 0.00 0.53 0.00 0.00 43.42 41.87 1qgb n LEU 39 CO 0.24 -0.78 0.00 0.61 -1.11 0.00 0.00 177.39 176.36 1qgb n GLY 40 N -0.48 0.82 2.93 -3.96 0.00 -1.26 -5.08 105.19 98.16 1qgb n GLY 40 Ca -0.19 -0.57 -0.13 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.88 -0.12 0.80 1.61 0.01 -0.66 -4.84 114.94 108.87 1qgb s ASN 41 Ca 0.00 0.30 -0.17 0.00 -0.71 0.00 0.00 52.86 52.28 1qgb s ASN 41 Cb 0.00 0.20 -0.15 0.00 0.41 0.00 0.00 41.25 41.71 1qgb s ASN 41 CO 0.00 -0.14 -0.56 0.00 -1.51 0.00 0.00 177.10 174.89 1qgb n ALA 42 N 4.10 -4.61 -3.53 0.60 0.00 -1.26 -1.41 120.51 114.40 1qgb n ALA 42 Ca -0.25 -0.46 -0.07 0.00 0.00 0.00 0.00 53.44 52.66 1qgb n ALA 42 Cb 0.52 -1.19 -0.02 0.00 0.00 0.00 0.00 19.45 18.76 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 6.76 -0.30 -0.08 0.00 2.96 0.35 -4.55 118.68 123.82 1qgb s LEU 43 Ca 0.44 -0.00 0.02 0.00 -0.22 0.00 0.00 54.13 54.37 1qgb s LEU 43 Cb -0.28 1.85 0.01 0.00 0.50 0.00 0.00 46.19 48.28 1qgb s LEU 43 CO 0.75 -0.52 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.43 1qgb s VAL 44 N -2.94 1.29 0.13 1.68 1.01 -0.13 0.15 120.40 121.60 1qgb s VAL 44 Ca 0.06 -0.55 0.08 0.00 0.00 0.00 0.00 61.98 61.57 1qgb s VAL 44 Cb -0.01 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 1qgb s VAL 44 CO -0.08 0.39 -0.13 0.00 0.00 0.00 0.00 175.10 175.28 1qgb s THR 46 N -1.34 0.42 0.53 0.00 2.01 -0.67 -0.80 115.64 115.79 1qgb s THR 46 Ca 0.21 -0.12 -0.06 0.00 0.31 0.00 0.00 61.69 62.02 1qgb s THR 46 Cb -0.10 -0.43 -0.03 0.00 0.01 0.00 0.00 72.50 71.95 1qgb s THR 46 CO 0.13 0.17 0.85 0.00 -0.69 0.00 0.00 174.62 175.08 1qgb n TYR 48 N -2.41 0.00 0.00 0.00 4.02 -1.26 -2.94 117.16 114.57 1qgb n TYR 48 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 1qgb n TYR 48 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.87 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 2.13 0.00 5.00 2.72 0.00 -1.26 -4.36 105.19 109.42 1qgb n GLY 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.13 0.10 -0.02 0.00 -1.25 -3.74 105.19 100.42 1qgb n GLY 50 Ca 0.00 -0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1qgb n GLY 50 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1qgb h SER 51 N 0.00 0.21 -0.11 1.61 0.02 -1.94 -2.33 113.55 111.02 1qgb h SER 51 Ca 0.00 -0.19 0.03 0.00 -0.84 0.00 0.00 61.79 60.79 1qgb h SER 51 Cb 0.00 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 1qgb h SER 51 CO 0.00 0.35 0.19 0.03 -1.14 0.00 0.00 176.83 176.26 1qgb h ARG 52 N 0.07 0.00 -2.18 3.45 2.47 -1.89 -3.48 114.38 112.82 1qgb h ARG 52 Ca 0.05 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 1qgb h ARG 52 Cb 0.21 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 1qgb h ARG 52 CO -0.00 0.00 -0.55 0.41 0.56 0.00 0.00 179.97 180.39 1qgb n GLY 53 N -1.30 -3.74 3.94 0.04 0.00 -0.88 -4.92 105.19 98.33 1qgb n GLY 53 Ca 0.00 -0.97 -0.25 0.00 0.00 0.00 0.00 46.02 44.80 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 -3.92 2.89 -0.02 1.61 -0.12 -1.26 -4.34 117.98 112.83 1qgb s PHE 54 Ca 0.00 0.36 -0.01 0.00 -0.05 0.00 0.00 56.93 57.23 1qgb s PHE 54 Cb 0.00 -3.13 0.01 0.00 -0.63 0.00 0.00 43.02 39.27 1qgb s PHE 54 CO 0.00 -1.33 0.04 -0.80 -0.05 0.00 0.00 175.22 173.08 1qgb s ASN 55 N -4.50 -0.03 0.28 1.98 0.02 -0.97 -4.94 114.94 106.77 1qgb s ASN 55 Ca 0.60 0.08 0.11 0.00 -1.02 0.00 0.00 52.86 52.63 1qgb s ASN 55 Cb -0.11 0.06 -0.05 0.00 0.02 0.00 0.00 41.25 41.18 1qgb s ASN 55 CO 0.44 -0.03 -0.14 0.00 0.02 0.00 0.00 177.10 177.38 1qgb s GLU 57 N -3.56 1.10 0.51 0.00 1.03 -0.79 -4.94 118.70 112.06 1qgb s GLU 57 Ca 0.30 -0.64 -0.18 0.00 0.03 0.00 0.00 54.97 54.48 1qgb s GLU 57 Cb -0.05 0.36 -0.07 0.00 -0.80 0.00 0.00 34.13 33.56 1qgb s GLU 57 CO 0.16 -0.51 1.02 0.45 -1.33 0.00 0.00 175.26 175.06 1qgb s SER 58 N -3.06 6.32 -0.38 0.83 0.15 -1.26 -0.95 113.70 115.34 1qgb s SER 58 Ca 0.15 1.79 -0.42 0.00 0.70 0.00 0.00 55.95 58.17 1qgb s SER 58 Cb -0.01 -2.54 -0.16 0.00 -1.71 0.00 0.00 66.02 61.60 1qgb s SER 58 CO 0.02 -0.79 1.86 0.29 1.20 0.00 0.00 173.24 175.82 1qgb n LYS 59 N -1.35 0.68 0.16 5.44 4.76 -1.26 -4.76 118.16 121.83 1qgb n LYS 59 Ca 0.08 0.23 0.18 0.00 -2.87 0.00 0.00 58.31 55.94 1qgb n LYS 59 Cb 0.53 -1.93 0.68 0.00 -1.84 0.00 0.00 35.03 32.47 1qgb n LYS 59 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 1qgb h PRO 60 N 7.95 0.00 -3.27 1.97 0.11 -1.99 -3.21 132.00 133.56 1qgb h PRO 60 Ca -0.36 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.44 1qgb h PRO 60 Cb 1.35 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.46 1qgb h PRO 60 CO 1.00 0.00 2.03 -1.91 -0.21 0.00 0.00 178.00 178.91 1qgb n GLU 61 N -3.29 1.80 0.00 1.05 4.07 -1.26 -4.90 120.64 118.12 1qgb n GLU 61 Ca 0.05 -1.23 0.00 0.00 -0.06 0.00 0.00 57.16 55.92 1qgb n GLU 61 Cb 0.67 -2.30 0.00 0.00 -0.06 0.00 0.00 31.44 29.75 1qgb n GLU 61 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1qgb n ALA 62 N 3.94 0.00 0.15 4.31 0.00 -1.22 -3.71 120.51 123.98 1qgb n ALA 62 Ca 0.38 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.84 1qgb n ALA 62 Cb 0.20 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.84 1qgb n ALA 62 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1qgb h GLU 63 N 0.00 0.00 -7.19 0.00 4.81 -1.90 -3.45 114.58 106.85 1qgb h GLU 63 Ca 0.00 0.00 -0.49 0.00 -0.13 0.00 0.00 59.36 58.74 1qgb h GLU 63 Cb 0.00 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.41 1qgb h GLU 63 CO 0.00 0.53 0.34 -1.21 -0.73 0.00 0.00 179.01 177.94 1qgb s GLU 64 N -3.41 3.79 0.00 1.92 8.01 -1.24 -4.33 118.70 123.43 1qgb s GLU 64 Ca 0.00 0.78 0.00 0.00 0.01 0.00 0.00 54.97 55.76 1qgb s GLU 64 Cb 0.11 -2.16 0.00 0.00 -4.31 0.00 0.00 34.13 27.76 1qgb s GLU 64 CO 0.73 -0.34 0.00 -2.37 0.01 0.00 0.00 175.26 173.29 1qgb n THR 65 N -1.97 0.00 -3.24 3.63 5.66 -1.26 -4.82 114.28 112.28 1qgb n THR 65 Ca 0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 1qgb n THR 65 Cb 0.54 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.32 1qgb n THR 65 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1qgb n PHE 67 N 2.20 0.00 -3.00 0.00 7.35 -1.23 -4.66 117.46 118.11 1qgb n PHE 67 Ca 0.00 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.64 1qgb n PHE 67 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 1qgb n PHE 67 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1qgb n ASP 68 N -0.90 -7.20 -4.65 -2.13 2.03 -1.26 -0.53 116.55 101.91 1qgb n ASP 68 Ca 0.00 0.78 -0.31 0.00 0.52 0.00 0.00 54.79 55.78 1qgb n ASP 68 Cb 0.00 -3.47 0.16 0.00 -0.72 0.00 0.00 41.12 37.09 1qgb n ASP 68 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1qgb n LYS 69 N 0.77 -0.38 -1.05 -0.67 5.02 -1.26 -2.18 118.16 118.41 1qgb n LYS 69 Ca 0.00 -0.04 -0.02 0.00 -2.02 0.00 0.00 58.31 56.23 1qgb n LYS 69 Cb 0.31 -2.34 -0.01 0.00 -0.02 0.00 0.00 35.03 32.97 1qgb n LYS 69 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1qgb n TYR 70 N -4.09 0.00 0.00 2.13 4.01 -1.26 -4.66 117.16 113.29 1qgb n TYR 70 Ca 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 1qgb n TYR 70 Cb 0.52 -0.68 0.00 0.00 -0.31 0.00 0.00 39.34 38.87 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 -2.92 0.00 -1.72 -0.72 -1.04 -1.21 -5.10 114.28 101.57 1qgb n THR 71 Ca -0.02 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 61.99 1qgb n THR 71 Cb 0.07 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.58 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 -1.39 -0.62 0.81 3.41 0.00 -0.93 -5.11 105.19 101.37 1qgb n GLY 72 Ca 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1qgb n GLY 72 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qgb n ASN 73 N -0.77 1.16 -3.41 1.61 4.13 0.31 -5.05 115.26 113.23 1qgb n ASN 73 Ca 0.01 -1.52 -0.18 0.00 1.68 0.00 0.00 54.58 54.57 1qgb n ASN 73 Cb 0.27 0.23 -0.10 0.00 -1.54 0.00 0.00 39.78 38.64 1qgb n ASN 73 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1qgb s THR 74 N -1.85 -0.39 0.00 3.41 2.01 -1.26 -3.58 115.64 113.98 1qgb s THR 74 Ca 0.04 -0.47 0.00 0.00 0.31 0.00 0.00 61.69 61.58 1qgb s THR 74 Cb 0.00 -0.96 0.00 0.00 0.01 0.00 0.00 72.50 71.55 1qgb s THR 74 CO 0.03 -0.46 0.00 -1.22 -0.69 0.00 0.00 174.62 172.28 1qgb n TYR 75 N 5.31 -0.18 -3.12 4.92 4.01 -1.26 -4.92 117.16 121.91 1qgb n TYR 75 Ca -0.02 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.55 1qgb n TYR 75 Cb 0.46 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.48 1qgb n TYR 75 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 1qgb n ARG 76 N -0.05 0.96 -3.12 -0.72 1.85 -1.26 -4.03 116.66 110.29 1qgb n ARG 76 Ca 0.00 -3.17 -0.17 0.00 -1.00 0.00 0.00 57.85 53.51 1qgb n ARG 76 Cb 0.00 -1.59 -0.04 0.00 -1.05 0.00 0.00 32.46 29.77 1qgb n ARG 76 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 177.63 179.17 1qgb n VAL 77 N 0.35 -0.22 -2.67 8.89 3.14 -1.21 -4.65 118.33 121.97 1qgb n VAL 77 Ca 0.22 -0.11 -0.03 0.00 -2.96 0.00 0.00 64.34 61.46 1qgb n VAL 77 Cb 0.66 -0.34 0.13 0.00 -1.06 0.00 0.00 33.84 33.22 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 -1.22 1.89 3.15 7.55 0.00 -1.26 -4.89 105.19 110.40 1qgb n GLY 78 Ca -0.04 -0.16 0.04 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.12 -1.36 0.54 1.61 2.15 -1.26 -5.10 116.67 112.13 1qgb s ASP 79 Ca 0.11 0.78 0.04 0.00 0.43 0.00 0.00 52.55 53.92 1qgb s ASP 79 Cb 0.43 2.11 0.05 0.00 -0.30 0.00 0.00 42.92 45.22 1qgb s ASP 79 CO -0.12 -0.25 0.75 0.28 -0.17 0.00 0.00 175.17 175.65 1qgb s THR 80 N 2.86 2.61 0.11 1.71 -1.32 -1.26 -3.69 115.64 116.65 1qgb s THR 80 Ca 0.19 -0.81 -0.08 0.00 -1.21 0.00 0.00 61.69 59.78 1qgb s THR 80 Cb -0.14 -2.80 0.03 0.00 -1.51 0.00 0.00 72.50 68.07 1qgb s THR 80 CO -0.21 0.00 0.39 0.00 -2.21 0.00 0.00 174.62 172.59 1qgb n TYR 81 N -2.25 -1.13 -4.50 9.09 0.18 -0.33 -5.00 117.16 113.23 1qgb n TYR 81 Ca 0.10 -0.61 -0.33 0.00 1.88 0.00 0.00 57.90 58.94 1qgb n TYR 81 Cb 0.60 0.30 -0.15 0.00 -0.38 0.00 0.00 39.34 39.71 1qgb n TYR 81 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 1qgb s GLU 82 N -2.03 3.31 -0.42 -3.48 2.02 -1.26 -1.50 118.70 115.34 1qgb s GLU 82 Ca 0.08 -0.70 0.02 0.00 0.02 0.00 0.00 54.97 54.39 1qgb s GLU 82 Cb -0.01 -2.70 0.13 0.00 0.10 0.00 0.00 34.13 31.65 1qgb s GLU 82 CO 0.03 0.05 0.22 0.50 0.02 0.00 0.00 175.26 176.08 1qgb s ARG 83 N 0.77 1.16 -0.02 1.61 3.52 -0.76 -4.95 118.95 120.28 1qgb s ARG 83 Ca -0.05 -1.85 -0.32 0.00 -0.13 0.00 0.00 55.73 53.38 1qgb s ARG 83 Cb -0.15 -2.22 -0.11 0.00 -1.56 0.00 0.00 34.95 30.92 1qgb s ARG 83 CO 0.01 -1.15 1.92 -2.30 -0.81 0.00 0.00 175.30 172.97 1qgb n PRO 84 N 3.73 2.50 -4.49 5.12 -0.02 -1.26 -3.98 135.00 136.60 1qgb n PRO 84 Ca 0.08 0.92 -0.24 0.00 -2.02 0.00 0.00 63.50 62.24 1qgb n PRO 84 Cb 0.35 -2.81 -0.14 0.00 -0.02 0.00 0.00 33.50 30.89 1qgb n PRO 84 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1qgb s LYS 85 N 4.13 1.22 0.93 -0.52 2.47 0.11 -4.95 119.74 123.13 1qgb s LYS 85 Ca 0.90 -0.95 0.00 0.00 -1.56 0.00 0.00 55.97 54.37 1qgb s LYS 85 Cb -0.57 -1.34 0.00 0.00 -1.46 0.00 0.00 37.83 34.46 1qgb s LYS 85 CO 0.47 0.33 0.00 -0.25 0.16 0.00 0.00 175.35 176.06 1qgb n ASP 86 N 1.69 0.00 -0.59 1.43 8.00 -1.26 -1.14 116.55 124.68 1qgb n ASP 86 Ca -0.18 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.31 1qgb n ASP 86 Cb 0.54 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.63 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 2.06 -0.09 -4.02 -2.24 3.41 -1.26 -5.13 113.62 106.35 1qgb n SER 87 Ca 0.00 -1.33 -0.09 0.00 -0.26 0.00 0.00 58.87 57.19 1qgb n SER 87 Cb 0.00 -0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 63.86 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 0.00 1.03 0.09 4.33 1.75 -0.29 -5.17 119.30 121.04 1qgb s MET 88 Ca 0.01 -1.25 -0.00 0.00 -1.25 0.00 0.00 55.69 53.20 1qgb s MET 88 Cb 0.01 0.32 -0.04 0.00 2.84 0.00 0.00 34.83 37.96 1qgb s MET 88 CO -0.01 -0.34 0.25 0.42 -0.65 0.00 0.00 175.02 174.69 1qgb s ILE 89 N -3.99 5.35 -0.13 10.11 1.01 -1.26 -0.71 121.20 131.58 1qgb s ILE 89 Ca 0.18 -0.40 -0.05 0.00 0.00 0.00 0.00 60.65 60.39 1qgb s ILE 89 Cb 0.05 -3.65 0.06 0.00 0.01 0.00 0.00 42.46 38.93 1qgb s ILE 89 CO -0.01 0.08 0.27 0.26 0.00 0.00 0.00 174.94 175.54 1qgb s TRP 90 N -1.58 -0.43 -0.75 3.97 0.52 -1.26 -1.88 118.94 117.54 1qgb s TRP 90 Ca 0.36 0.99 -0.05 0.00 0.02 0.00 0.00 56.10 57.41 1qgb s TRP 90 Cb -0.13 -0.02 -0.06 0.00 -1.15 0.00 0.00 33.47 32.12 1qgb s TRP 90 CO 0.28 -0.35 2.09 -0.25 0.02 0.00 0.00 176.95 178.73 1qgb n ASP 91 N 5.27 4.47 -4.52 2.95 9.92 -1.10 -1.83 116.55 131.71 1qgb n ASP 91 Ca -0.08 -2.27 -0.49 0.00 -0.53 0.00 0.00 54.79 51.43 1qgb n ASP 91 Cb 0.50 -1.03 -0.04 0.00 -0.64 0.00 0.00 41.12 39.91 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 -0.52 1.77 -0.74 0.00 2.01 0.31 -1.18 115.64 117.29 1qgb s THR 93 Ca 0.71 -0.95 -0.19 0.00 0.31 0.00 0.00 61.69 61.56 1qgb s THR 93 Cb -0.90 -1.48 -0.15 0.00 0.01 0.00 0.00 72.50 69.98 1qgb s THR 93 CO 0.55 0.50 1.92 0.00 -0.69 0.00 0.00 174.62 176.90 1qgb s ILE 95 N 4.84 4.52 0.00 0.00 1.01 -1.26 -4.10 121.20 126.21 1qgb s ILE 95 Ca 0.54 1.82 0.00 0.00 0.00 0.00 0.00 60.65 63.01 1qgb s ILE 95 Cb 0.14 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.43 1qgb s ILE 95 CO 0.10 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.59 1qgb n GLY 96 N 3.31 4.86 1.11 6.18 0.00 -1.26 -0.61 105.19 118.78 1qgb n GLY 96 Ca 0.11 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.39 0.00 4.61 0.00 -1.26 -3.53 120.51 115.94 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 -0.65 2.23 2.71 0.00 0.00 -1.26 -4.38 105.19 103.84 1qgb n GLY 98 Ca 0.00 -0.39 -0.07 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 0.87 0.14 1.61 1.74 -1.26 -4.51 116.66 115.24 1qgb n ARG 99 Ca 0.00 -1.63 -0.25 0.00 -0.77 0.00 0.00 57.85 55.20 1qgb n ARG 99 Cb 0.00 -0.59 -0.16 0.00 -1.02 0.00 0.00 32.46 30.69 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 2.50 0.60 -4.31 -0.13 0.00 -1.70 -3.48 103.07 96.55 1qgb h GLY 100 Ca -0.21 -1.52 0.00 0.00 0.00 0.00 0.00 47.33 45.60 1qgb h GLY 100 CO 0.04 1.33 -0.76 0.54 0.00 0.00 0.00 176.54 177.70 1qgb n ARG 101 N -3.71 -4.27 -1.51 4.80 3.00 0.22 -4.44 116.66 110.75 1qgb n ARG 101 Ca -0.18 3.04 -0.28 0.00 -0.01 0.00 0.00 57.85 60.41 1qgb n ARG 101 Cb 1.10 -3.61 -0.16 0.00 0.00 0.00 0.00 32.46 29.79 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 1.88 -0.01 -2.63 0.55 2.08 -1.17 -4.39 119.36 115.66 1qgb n ILE 102 Ca 0.00 -0.37 -0.34 0.00 0.56 0.00 0.00 62.75 62.60 1qgb n ILE 102 Cb 0.00 -0.75 -0.05 0.00 -0.75 0.00 0.00 39.64 38.09 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 5.82 6.60 -0.28 4.38 0.15 -1.09 -4.82 113.70 124.46 1qgb s SER 103 Ca 1.24 1.87 -0.01 0.00 0.70 0.00 0.00 55.95 59.75 1qgb s SER 103 Cb -0.81 -2.56 0.09 0.00 -1.71 0.00 0.00 66.02 61.03 1qgb s SER 103 CO 0.44 -0.60 0.08 0.00 1.20 0.00 0.00 173.24 174.36 1qgb s THR 105 N 1.69 4.48 0.31 0.00 -1.32 -1.26 -4.92 115.64 114.62 1qgb s THR 105 Ca 0.07 1.46 -0.29 0.00 -1.21 0.00 0.00 61.69 61.72 1qgb s THR 105 Cb -0.17 -3.96 -0.10 0.00 -1.51 0.00 0.00 72.50 66.76 1qgb s THR 105 CO -0.21 0.31 1.19 -0.51 -2.21 0.00 0.00 174.62 173.18 1qgb s ILE 106 N -1.41 3.14 -0.00 5.08 2.07 -1.26 -2.71 121.20 126.11 1qgb s ILE 106 Ca 0.41 1.13 -0.01 0.00 -1.41 0.00 0.00 60.65 60.78 1qgb s ILE 106 Cb -0.19 -3.71 -0.04 0.00 0.13 0.00 0.00 42.46 38.65 1qgb s ILE 106 CO 0.23 0.26 0.09 0.00 -1.91 0.00 0.00 174.94 173.60 1qgb s ALA 107 N -1.18 3.62 -0.04 1.50 0.00 -0.79 -4.90 121.76 119.98 1qgb s ALA 107 Ca 0.47 -0.86 0.06 0.00 0.00 0.00 0.00 51.96 51.63 1qgb s ALA 107 Cb -0.35 -1.61 0.09 0.00 0.00 0.00 0.00 23.12 21.25 1qgb s ALA 107 CO 0.46 0.70 0.97 -1.71 0.00 0.00 0.00 175.76 176.18 1qgb n ASN 108 N 1.15 1.59 0.00 0.00 2.85 -1.26 -4.76 115.26 114.83 1qgb n ASN 108 Ca -0.13 -2.20 0.00 0.00 -0.11 0.00 0.00 54.58 52.15 1qgb n ASN 108 Cb 0.53 -0.16 0.00 0.00 1.24 0.00 0.00 39.78 41.39 1qgb n ASN 108 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01