#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 0.00 -1.66 4.33 2.85 -1.26 -4.79 118.16 117.63 1qgb n LYS 18 Ca 0.00 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.85 1qgb n LYS 18 Cb 0.00 -1.26 0.01 0.00 -0.65 0.00 0.00 35.03 33.14 1qgb n LYS 18 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1qgb n PRO 19 N 7.08 1.61 -0.44 -1.58 -0.02 -1.26 -4.88 135.00 135.50 1qgb n PRO 19 Ca 0.61 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.66 1qgb n PRO 19 Cb 0.05 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 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 1.00 0.71 3.17 -1.23 0.00 -1.26 -4.94 105.19 102.64 1qgb n GLY 20 Ca 0.08 -1.84 0.04 0.00 0.00 0.00 0.00 46.02 44.30 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 2.86 3.78 0.00 0.00 6.14 -1.26 -3.35 117.35 125.52 1qgb s TYR 22 Ca 0.20 1.21 0.00 0.00 0.64 0.00 0.00 57.07 59.12 1qgb s TYR 22 Cb -0.15 -2.45 0.00 0.00 0.42 0.00 0.00 41.96 39.78 1qgb s TYR 22 CO -0.21 0.58 0.00 -0.40 0.64 0.00 0.00 175.55 176.16 1qgb n ASP 23 N 1.64 1.30 -0.28 4.32 5.75 -0.53 -5.00 116.55 123.75 1qgb n ASP 23 Ca -0.10 -0.10 0.02 0.00 -0.01 0.00 0.00 54.79 54.60 1qgb n ASP 23 Cb 0.51 0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.66 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 -0.16 -0.38 -0.55 -1.12 2.85 -1.26 -3.90 115.26 110.73 1qgb n ASN 24 Ca 0.00 1.29 -0.02 0.00 -0.11 0.00 0.00 54.58 55.74 1qgb n ASN 24 Cb 0.00 -0.34 -0.02 0.00 1.24 0.00 0.00 39.78 40.67 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 0.68 3.16 8.20 0.00 -1.26 -5.13 105.19 109.43 1qgb n GLY 25 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 1.04 -0.61 1.61 2.47 -1.25 -5.10 119.74 117.90 1qgb s LYS 26 Ca 0.00 -0.76 0.04 0.00 -1.56 0.00 0.00 55.97 53.69 1qgb s LYS 26 Cb 0.00 -1.07 0.15 0.00 -1.46 0.00 0.00 37.83 35.45 1qgb s LYS 26 CO 0.00 0.27 0.38 -1.58 0.16 0.00 0.00 175.35 174.58 1qgb s HIS 27 N -0.77 3.38 0.64 4.03 2.46 -1.26 -1.46 115.29 122.31 1qgb s HIS 27 Ca 0.03 -3.24 -0.07 0.00 0.47 0.00 0.00 55.06 52.25 1qgb s HIS 27 Cb -0.08 -2.79 0.03 0.00 -0.13 0.00 0.00 32.58 29.61 1qgb s HIS 27 CO 0.01 -0.65 0.97 0.71 -2.47 0.00 0.00 174.74 173.30 1qgb s TYR 28 N -0.84 3.16 0.20 3.88 2.02 -1.21 -4.94 117.35 119.62 1qgb s TYR 28 Ca 0.21 0.65 -0.09 0.00 -0.37 0.00 0.00 57.07 57.46 1qgb s TYR 28 Cb -0.16 -2.93 -0.07 0.00 -0.40 0.00 0.00 41.96 38.41 1qgb s TYR 28 CO -0.08 -1.06 0.51 -1.14 -1.57 0.00 0.00 175.55 172.21 1qgb s GLN 29 N -5.13 3.78 0.43 -0.62 2.00 -1.26 -3.27 119.66 115.59 1qgb s GLN 29 Ca 0.56 0.21 -0.21 0.00 -2.00 0.00 0.00 55.36 53.93 1qgb s GLN 29 Cb -0.11 -2.72 -0.15 0.00 0.80 0.00 0.00 33.01 30.83 1qgb s GLN 29 CO 0.46 0.37 0.16 -0.89 -0.50 0.00 0.00 175.29 174.89 1qgb n ILE 30 N 0.02 0.85 -1.06 -2.34 -0.00 -1.26 -0.52 119.36 115.06 1qgb n ILE 30 Ca -0.01 -0.50 -0.02 0.00 -0.00 0.00 0.00 62.75 62.22 1qgb n ILE 30 Cb 0.52 -0.13 -0.01 0.00 -0.00 0.00 0.00 39.64 40.02 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 2.07 -4.88 -4.90 4.38 3.02 -1.23 -4.94 115.26 108.79 1qgb n ASN 31 Ca 0.11 0.05 -0.34 0.00 -0.03 0.00 0.00 54.58 54.37 1qgb n ASN 31 Cb 0.41 -2.56 -0.05 0.00 -0.61 0.00 0.00 39.78 36.98 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 -1.56 3.48 0.21 3.52 2.00 0.32 -4.85 119.66 122.79 1qgb s GLN 32 Ca 0.00 -0.23 0.09 0.00 -2.00 0.00 0.00 55.36 53.22 1qgb s GLN 32 Cb 0.00 -3.10 -0.04 0.00 0.80 0.00 0.00 33.01 30.67 1qgb s GLN 32 CO 0.00 0.68 -0.03 -0.65 -0.50 0.00 0.00 175.29 174.79 1qgb s GLN 33 N -1.79 2.27 0.31 1.67 -0.21 -1.26 -1.42 119.66 119.22 1qgb s GLN 33 Ca 0.26 -1.26 -0.19 0.00 0.02 0.00 0.00 55.36 54.19 1qgb s GLN 33 Cb -0.13 -2.23 0.04 0.00 1.00 0.00 0.00 33.01 31.69 1qgb s GLN 33 CO 0.16 0.42 0.78 1.67 -2.12 0.00 0.00 175.29 176.20 1qgb s TRP 34 N -1.93 -0.05 -0.09 0.91 -2.14 -0.42 -5.01 118.94 110.21 1qgb s TRP 34 Ca 0.28 -0.49 -0.06 0.00 2.66 0.00 0.00 56.10 58.50 1qgb s TRP 34 Cb -0.08 0.76 -0.04 0.00 -3.10 0.00 0.00 33.47 31.01 1qgb s TRP 34 CO 0.18 -1.33 0.16 -2.00 -2.66 0.00 0.00 176.95 171.30 1qgb s GLU 35 N -3.14 3.45 0.20 3.25 2.56 -1.26 0.60 118.70 124.36 1qgb s GLU 35 Ca 0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 54.97 54.91 1qgb s GLU 35 Cb -0.05 -3.16 -0.04 0.00 2.00 0.00 0.00 34.13 32.88 1qgb s GLU 35 CO 0.08 0.75 0.14 0.50 -0.56 0.00 0.00 175.26 176.17 1qgb s ARG 36 N -1.29 1.20 -0.04 4.30 3.00 0.55 -4.77 118.95 121.90 1qgb s ARG 36 Ca 0.19 -1.61 -0.00 0.00 -1.00 0.00 0.00 55.73 53.30 1qgb s ARG 36 Cb -0.12 0.27 0.03 0.00 0.00 0.00 0.00 34.95 35.13 1qgb s ARG 36 CO 0.08 -0.39 0.01 0.99 0.00 0.00 0.00 175.30 175.99 1qgb s THR 37 N -4.15 0.19 -0.05 4.11 2.01 -1.26 0.26 115.64 116.75 1qgb s THR 37 Ca 0.38 0.14 0.06 0.00 0.31 0.00 0.00 61.69 62.59 1qgb s THR 37 Cb 0.07 -0.33 -0.01 0.00 0.01 0.00 0.00 72.50 72.24 1qgb s THR 37 CO 0.11 0.18 -0.25 -0.47 -0.69 0.00 0.00 174.62 173.51 1qgb s TYR 38 N 1.44 2.43 -0.54 4.92 6.14 -0.79 -4.59 117.35 126.35 1qgb s TYR 38 Ca -0.04 -0.61 0.00 0.00 0.64 0.00 0.00 57.07 57.06 1qgb s TYR 38 Cb -0.13 -1.58 0.00 0.00 0.42 0.00 0.00 41.96 40.67 1qgb s TYR 38 CO -0.03 -0.15 0.00 -0.11 0.64 0.00 0.00 175.55 175.91 1qgb n LEU 39 N 2.78 0.17 0.00 6.97 7.94 -1.26 -1.76 117.00 131.84 1qgb n LEU 39 Ca -0.17 0.13 0.00 0.00 -1.11 0.00 0.00 56.01 54.86 1qgb n LEU 39 Cb 0.52 -2.17 0.00 0.00 0.53 0.00 0.00 43.42 42.30 1qgb n LEU 39 CO 0.25 -0.81 0.00 0.61 -1.11 0.00 0.00 177.39 176.33 1qgb n GLY 40 N -0.19 0.83 3.07 -3.96 0.00 -1.26 -5.08 105.19 98.60 1qgb n GLY 40 Ca -0.05 -0.64 -0.17 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.71 1.15 0.59 1.61 0.02 -0.72 -5.13 114.94 109.75 1qgb s ASN 41 Ca 0.00 -0.40 -0.18 0.00 -1.02 0.00 0.00 52.86 51.27 1qgb s ASN 41 Cb 0.00 -0.05 -0.12 0.00 0.02 0.00 0.00 41.25 41.10 1qgb s ASN 41 CO 0.00 -0.03 0.07 0.00 0.02 0.00 0.00 177.10 177.16 1qgb n ALA 42 N 2.02 -2.57 -3.63 0.60 0.00 -1.26 -1.89 120.51 113.78 1qgb n ALA 42 Ca -0.18 -0.11 -0.04 0.00 0.00 0.00 0.00 53.44 53.11 1qgb n ALA 42 Cb 0.56 -1.55 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 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 3.50 -0.19 0.08 0.00 2.96 0.71 -4.58 118.68 121.16 1qgb s LEU 43 Ca 0.60 -0.17 0.04 0.00 -0.22 0.00 0.00 54.13 54.38 1qgb s LEU 43 Cb -0.44 1.82 -0.03 0.00 0.50 0.00 0.00 46.19 48.03 1qgb s LEU 43 CO 0.63 -0.58 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.28 1qgb s VAL 44 N -2.90 0.97 0.11 1.68 1.01 0.27 0.21 120.40 121.74 1qgb s VAL 44 Ca 0.10 -1.39 0.06 0.00 0.00 0.00 0.00 61.98 60.75 1qgb s VAL 44 Cb 0.00 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 1qgb s VAL 44 CO -0.03 -0.37 -0.15 0.00 0.00 0.00 0.00 175.10 174.55 1qgb s THR 46 N -1.93 0.12 0.40 0.00 2.01 -1.18 -1.30 115.64 113.76 1qgb s THR 46 Ca 0.07 0.08 -0.00 0.00 0.31 0.00 0.00 61.69 62.14 1qgb s THR 46 Cb -0.06 -0.20 -0.02 0.00 0.01 0.00 0.00 72.50 72.22 1qgb s THR 46 CO 0.03 0.11 0.63 0.00 -0.69 0.00 0.00 174.62 174.70 1qgb n TYR 48 N -1.96 0.00 0.00 0.00 4.02 -0.51 -3.47 117.16 115.24 1qgb n TYR 48 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 1qgb n TYR 48 Cb 0.56 0.19 0.00 0.00 -0.02 0.00 0.00 39.34 40.07 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 1.62 1.79 7.00 2.72 0.00 -1.24 -4.31 105.19 112.77 1qgb n GLY 49 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.02 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 1.37 2.21 0.04 -0.02 0.00 -1.26 -2.37 105.19 105.16 1qgb n GLY 50 Ca 0.00 0.13 0.01 0.00 0.00 0.00 0.00 46.02 46.16 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 10.59 1.07 -0.23 1.61 7.64 -1.26 -4.44 113.62 128.61 1qgb n SER 51 Ca 0.00 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.99 1qgb n SER 51 Cb 0.00 1.37 0.40 0.00 -1.01 0.00 0.00 64.21 64.97 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 0.00 0.63 0.00 1.43 3.08 -1.85 -3.45 114.38 114.22 1qgb h ARG 52 Ca -0.20 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.81 1qgb h ARG 52 Cb 1.34 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1qgb h ARG 52 CO 0.01 0.42 0.00 0.41 -1.07 0.00 0.00 179.97 179.74 1qgb n GLY 53 N -1.46 0.90 3.68 0.04 0.00 -1.24 -4.74 105.19 102.38 1qgb n GLY 53 Ca 0.15 0.43 -0.09 0.00 0.00 0.00 0.00 46.02 46.51 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 0.00 -0.22 -0.21 1.61 -0.12 -1.26 -1.42 117.98 116.36 1qgb s PHE 54 Ca 0.00 -0.16 -0.04 0.00 -0.05 0.00 0.00 56.93 56.69 1qgb s PHE 54 Cb 0.00 0.58 0.11 0.00 -0.63 0.00 0.00 43.02 43.08 1qgb s PHE 54 CO 0.00 -1.07 0.32 -0.80 -0.05 0.00 0.00 175.22 173.62 1qgb s ASN 55 N -2.88 0.53 0.76 1.98 0.01 -0.86 -4.96 114.94 109.52 1qgb s ASN 55 Ca 0.09 0.22 -0.09 0.00 -0.71 0.00 0.00 52.86 52.37 1qgb s ASN 55 Cb -0.04 0.88 0.08 0.00 0.41 0.00 0.00 41.25 42.58 1qgb s ASN 55 CO 0.01 -0.29 1.09 0.00 -1.51 0.00 0.00 177.10 176.40 1qgb n GLU 57 N -3.12 -2.99 -0.39 0.00 -0.00 0.14 -4.95 120.64 109.34 1qgb n GLU 57 Ca 0.09 0.00 -0.29 0.00 -0.00 0.00 0.00 57.16 56.96 1qgb n GLU 57 Cb 0.61 0.00 0.27 0.00 -0.00 0.00 0.00 31.44 32.32 1qgb n GLU 57 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1qgb n SER 58 N 0.00 -2.74 -3.90 -1.84 3.41 -1.26 0.93 113.62 108.22 1qgb n SER 58 Ca 0.00 -0.44 -0.29 0.00 -0.26 0.00 0.00 58.87 57.88 1qgb n SER 58 Cb 0.00 -1.14 -0.13 0.00 -0.26 0.00 0.00 64.21 62.68 1qgb n SER 58 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1qgb s LYS 59 N -4.55 2.20 -0.63 4.33 2.36 -1.26 -4.32 119.74 117.87 1qgb s LYS 59 Ca 0.67 -2.99 -0.26 0.00 -2.55 0.00 0.00 55.97 50.84 1qgb s LYS 59 Cb -0.20 -3.29 -0.11 0.00 -1.05 0.00 0.00 37.83 33.17 1qgb s LYS 59 CO 0.62 -1.22 2.46 -2.30 1.55 0.00 0.00 175.35 176.47 1qgb n PRO 60 N 2.48 0.76 -3.17 4.03 -0.02 -1.26 -4.84 135.00 132.99 1qgb n PRO 60 Ca 0.14 -0.12 -0.29 0.00 -2.02 0.00 0.00 63.50 61.21 1qgb n PRO 60 Cb 0.34 -3.07 -0.05 0.00 -0.02 0.00 0.00 33.50 30.70 1qgb n PRO 60 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1qgb n GLU 61 N 8.78 3.11 0.00 -0.52 2.13 -1.26 -5.08 120.64 127.80 1qgb n GLU 61 Ca 0.44 -4.74 0.00 0.00 0.66 0.00 0.00 57.16 53.52 1qgb n GLU 61 Cb 0.43 -2.28 0.00 0.00 0.27 0.00 0.00 31.44 29.86 1qgb n GLU 61 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1qgb n ALA 62 N 0.41 0.00 -0.08 4.31 0.00 -1.26 -4.49 120.51 119.41 1qgb n ALA 62 Ca 0.31 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.69 1qgb n ALA 62 Cb 0.39 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.68 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 -0.20 0.79 -3.19 0.00 2.13 -1.26 -4.89 120.64 114.03 1qgb n GLU 63 Ca 0.00 -0.05 -0.41 0.00 0.66 0.00 0.00 57.16 57.37 1qgb n GLU 63 Cb 0.00 -1.50 -0.07 0.00 0.27 0.00 0.00 31.44 30.14 1qgb n GLU 63 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1qgb s GLU 64 N -2.66 3.85 -0.03 5.31 2.12 -1.26 -4.80 118.70 121.22 1qgb s GLU 64 Ca -0.09 0.14 -0.30 0.00 0.36 0.00 0.00 54.97 55.08 1qgb s GLU 64 Cb 0.07 -3.74 0.11 0.00 0.26 0.00 0.00 34.13 30.84 1qgb s GLU 64 CO 0.81 -0.54 1.08 -0.08 -0.54 0.00 0.00 175.26 175.99 1qgb s THR 65 N 2.46 0.00 0.00 -1.70 -1.32 -1.26 -4.95 115.64 108.88 1qgb s THR 65 Ca 0.22 -0.17 0.00 0.00 -1.21 0.00 0.00 61.69 60.53 1qgb s THR 65 Cb -0.15 -1.39 0.00 0.00 -1.51 0.00 0.00 72.50 69.44 1qgb s THR 65 CO 0.12 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.53 1qgb s PHE 67 N -2.00 -0.06 -1.14 0.00 5.36 -1.26 -4.50 117.98 114.38 1qgb s PHE 67 Ca 0.00 0.02 -0.23 0.00 -0.96 0.00 0.00 56.93 55.76 1qgb s PHE 67 Cb 0.00 0.01 -0.09 0.00 -0.34 0.00 0.00 43.02 42.60 1qgb s PHE 67 CO 0.00 -0.04 1.95 0.34 -1.46 0.00 0.00 175.22 176.01 1qgb s ASP 68 N 2.39 4.92 0.53 6.13 2.15 -1.01 -4.75 116.67 127.03 1qgb s ASP 68 Ca 0.22 -1.47 0.44 0.00 0.43 0.00 0.00 52.55 52.17 1qgb s ASP 68 Cb 0.03 -2.59 1.65 0.00 -0.30 0.00 0.00 42.92 41.71 1qgb s ASP 68 CO -0.19 -3.17 1.62 0.07 -0.17 0.00 0.00 175.17 173.33 1qgb h LYS 69 N 10.09 0.02 -0.62 4.34 2.10 -1.93 1.23 116.57 131.80 1qgb h LYS 69 Ca 0.18 -0.00 0.18 0.00 -2.00 0.00 0.00 60.65 59.01 1qgb h LYS 69 Cb 0.95 -0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.25 1qgb h LYS 69 CO 1.21 0.01 0.55 1.88 -2.00 0.00 0.00 179.45 181.10 1qgb h TYR 70 N 0.02 0.00 0.00 0.07 -1.99 -1.99 -3.36 116.97 109.72 1qgb h TYR 70 Ca 0.86 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.59 1qgb h TYR 70 Cb 3.30 0.00 0.00 0.00 2.00 0.00 0.00 36.73 42.03 1qgb h TYR 70 CO -0.00 0.00 -0.06 0.25 -0.00 0.00 0.00 178.16 178.35 1qgb n THR 71 N -3.90 0.06 0.00 -2.88 -2.24 0.37 -5.06 114.28 100.63 1qgb n THR 71 Ca 0.12 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1qgb n THR 71 Cb 0.79 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 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 1.70 0.43 3.78 3.38 0.00 0.16 -5.04 105.19 109.60 1qgb n GLY 72 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.53 5.95 -0.30 1.61 -0.87 -1.26 -4.76 114.94 114.78 1qgb s ASN 73 Ca 0.00 2.14 -0.10 0.00 -1.57 0.00 0.00 52.86 53.34 1qgb s ASN 73 Cb 0.00 -2.58 -0.02 0.00 -0.02 0.00 0.00 41.25 38.63 1qgb s ASN 73 CO 0.00 -1.06 0.15 -0.89 -2.57 0.00 0.00 177.10 172.73 1qgb s THR 74 N -1.77 4.73 0.00 1.60 2.01 -1.26 -2.41 115.64 118.53 1qgb s THR 74 Ca 0.70 -0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.44 1qgb s THR 74 Cb -0.23 -3.35 0.00 0.00 0.01 0.00 0.00 72.50 68.93 1qgb s THR 74 CO 0.27 0.14 0.00 -1.22 -0.69 0.00 0.00 174.62 173.12 1qgb n TYR 75 N 5.00 -0.11 -3.79 4.92 4.01 -1.26 -5.02 117.16 120.90 1qgb n TYR 75 Ca -0.14 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.46 1qgb n TYR 75 Cb 0.50 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.39 1qgb n TYR 75 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1qgb s ARG 76 N 2.19 0.05 0.59 -0.72 0.52 -1.26 -4.34 118.95 115.98 1qgb s ARG 76 Ca 0.00 0.23 0.29 0.00 -0.52 0.00 0.00 55.73 55.73 1qgb s ARG 76 Cb 0.00 -0.13 1.40 0.00 0.52 0.00 0.00 34.95 36.75 1qgb s ARG 76 CO 0.00 -0.12 1.79 0.28 0.02 0.00 0.00 175.30 177.28 1qgb h VAL 77 N 5.79 0.31 -0.30 3.52 2.07 -1.71 0.64 116.25 126.57 1qgb h VAL 77 Ca -0.38 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 1qgb h VAL 77 Cb 1.16 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1qgb h VAL 77 CO 0.45 0.00 0.05 0.61 0.02 0.00 0.00 177.57 178.71 1qgb n GLY 78 N -1.57 2.36 3.06 2.17 0.00 -1.26 -4.73 105.19 105.22 1qgb n GLY 78 Ca 0.13 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.30 -0.23 0.45 1.61 2.15 0.22 -5.16 116.67 115.42 1qgb s ASP 79 Ca 0.25 0.46 0.07 0.00 0.43 0.00 0.00 52.55 53.76 1qgb s ASP 79 Cb 0.20 0.40 -0.01 0.00 -0.30 0.00 0.00 42.92 43.21 1qgb s ASP 79 CO 0.07 -0.12 0.40 0.42 -0.17 0.00 0.00 175.17 175.77 1qgb s THR 80 N 0.67 2.45 -0.11 1.71 -4.23 -1.26 -3.96 115.64 110.91 1qgb s THR 80 Ca -0.05 -1.36 -0.30 0.00 -1.18 0.00 0.00 61.69 58.80 1qgb s THR 80 Cb -0.06 -2.81 0.10 0.00 1.34 0.00 0.00 72.50 71.08 1qgb s THR 80 CO -0.04 0.00 0.87 -0.72 -0.54 0.00 0.00 174.62 174.19 1qgb s TYR 81 N -2.54 -0.48 -0.02 3.99 1.13 -1.24 -5.01 117.35 113.17 1qgb s TYR 81 Ca 0.46 0.83 -0.22 0.00 -1.41 0.00 0.00 57.07 56.73 1qgb s TYR 81 Cb -0.03 0.43 -0.05 0.00 -1.10 0.00 0.00 41.96 41.22 1qgb s TYR 81 CO 0.27 -0.45 0.66 -1.21 -2.51 0.00 0.00 175.55 172.31 1qgb s GLU 82 N -1.16 4.39 -0.49 -3.49 8.01 -1.26 -1.68 118.70 123.01 1qgb s GLU 82 Ca -0.05 0.83 0.06 0.00 0.01 0.00 0.00 54.97 55.82 1qgb s GLU 82 Cb -0.00 -3.38 0.23 0.00 -4.31 0.00 0.00 34.13 26.66 1qgb s GLU 82 CO 0.05 0.26 0.54 -2.13 0.01 0.00 0.00 175.26 173.99 1qgb n ARG 83 N 3.07 1.18 -1.29 1.61 0.63 -0.90 -4.89 116.66 116.07 1qgb n ARG 83 Ca -0.04 -3.71 -0.37 0.00 -0.92 0.00 0.00 57.85 52.81 1qgb n ARG 83 Cb 0.51 -1.67 0.04 0.00 0.45 0.00 0.00 32.46 31.79 1qgb n ARG 83 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1qgb n PRO 84 N 1.61 0.24 -3.63 -0.14 -0.02 -1.26 -4.38 135.00 127.41 1qgb n PRO 84 Ca 0.25 0.10 -0.02 0.00 -2.02 0.00 0.00 63.50 61.81 1qgb n PRO 84 Cb 0.47 -1.49 -0.02 0.00 -0.02 0.00 0.00 33.50 32.44 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 -2.03 0.08 -1.41 -0.52 2.47 0.13 -4.92 119.74 113.54 1qgb s LYS 85 Ca 0.62 -0.03 -0.08 0.00 -1.56 0.00 0.00 55.97 54.92 1qgb s LYS 85 Cb -0.40 0.04 0.04 0.00 -1.46 0.00 0.00 37.83 36.05 1qgb s LYS 85 CO 0.62 -0.04 0.57 -0.25 0.16 0.00 0.00 175.35 176.41 1qgb n ASP 86 N -0.04 -4.79 -3.36 1.43 8.00 -1.26 -1.47 116.55 115.06 1qgb n ASP 86 Ca 0.04 -0.36 -0.18 0.00 0.71 0.00 0.00 54.79 55.00 1qgb n ASP 86 Cb 0.57 -3.91 0.08 0.00 -0.02 0.00 0.00 41.12 37.84 1qgb n ASP 86 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1qgb n SER 87 N -2.42 -2.81 -3.54 -2.24 7.64 -1.26 -5.00 113.62 104.00 1qgb n SER 87 Ca -0.05 -0.58 -0.07 0.00 1.01 0.00 0.00 58.87 59.18 1qgb n SER 87 Cb 0.57 -4.93 -0.02 0.00 -1.01 0.00 0.00 64.21 58.83 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 -5.48 0.67 -0.17 1.43 0.00 -0.54 -5.16 119.30 110.05 1qgb s MET 88 Ca 0.10 -0.26 -0.09 0.00 0.00 0.00 0.00 55.69 55.45 1qgb s MET 88 Cb -0.05 0.31 -0.05 0.00 0.00 0.00 0.00 34.83 35.04 1qgb s MET 88 CO 0.70 -0.30 0.13 0.42 0.00 0.00 0.00 175.02 175.98 1qgb s ILE 89 N -2.91 5.43 -0.16 10.11 1.09 -1.26 0.17 121.20 133.67 1qgb s ILE 89 Ca 0.07 0.19 -0.02 0.00 -1.10 0.00 0.00 60.65 59.78 1qgb s ILE 89 Cb -0.01 -3.43 0.05 0.00 -1.06 0.00 0.00 42.46 38.01 1qgb s ILE 89 CO -0.07 0.51 0.02 0.26 -0.10 0.00 0.00 174.94 175.56 1qgb s TRP 90 N -0.15 0.93 -1.15 3.97 0.52 -1.26 -4.28 118.94 117.52 1qgb s TRP 90 Ca 0.10 -0.67 -0.23 0.00 0.02 0.00 0.00 56.10 55.32 1qgb s TRP 90 Cb -0.11 -0.97 -0.11 0.00 -1.15 0.00 0.00 33.47 31.13 1qgb s TRP 90 CO 0.00 -0.54 1.97 -0.51 0.02 0.00 0.00 176.95 177.89 1qgb s ASP 91 N 1.89 4.79 1.23 2.95 1.01 -1.21 -2.12 116.67 125.21 1qgb s ASP 91 Ca 0.01 -1.49 -0.18 0.00 0.71 0.00 0.00 52.55 51.60 1qgb s ASP 91 Cb -0.16 -2.59 0.28 0.00 1.01 0.00 0.00 42.92 41.46 1qgb s ASP 91 CO -0.07 -3.31 0.62 0.00 0.21 0.00 0.00 175.17 172.61 1qgb s THR 93 N -2.11 -0.01 -1.05 0.00 2.01 -0.45 -3.73 115.64 110.31 1qgb s THR 93 Ca 0.52 0.03 -0.21 0.00 0.31 0.00 0.00 61.69 62.33 1qgb s THR 93 Cb -0.10 -0.87 -0.09 0.00 0.01 0.00 0.00 72.50 71.45 1qgb s THR 93 CO 0.45 0.01 1.94 0.00 -0.69 0.00 0.00 174.62 176.33 1qgb s ILE 95 N 6.90 4.38 -0.31 0.00 1.01 -1.26 -4.10 121.20 127.82 1qgb s ILE 95 Ca 0.60 1.57 0.01 0.00 0.00 0.00 0.00 60.65 62.84 1qgb s ILE 95 Cb 0.08 -4.35 0.15 0.00 0.01 0.00 0.00 42.46 38.35 1qgb s ILE 95 CO 0.10 -0.51 0.36 -0.83 0.00 0.00 0.00 174.94 174.06 1qgb s GLY 96 N 2.03 -0.30 -0.46 6.18 0.00 -1.26 -0.96 107.32 112.55 1qgb s GLY 96 Ca 0.49 -0.27 0.06 0.00 0.00 0.00 0.00 44.72 45.00 1qgb s GLY 96 CO 0.19 2.84 1.08 0.00 0.00 0.00 0.00 173.10 177.21 1qgb n ALA 97 N 5.05 -0.81 -0.98 3.20 0.00 -1.26 -4.82 120.51 120.90 1qgb n ALA 97 Ca 0.02 -1.49 0.00 0.00 0.00 0.00 0.00 53.44 51.97 1qgb n ALA 97 Cb 0.47 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 0.52 0.34 0.00 0.00 0.00 -1.26 -4.51 105.19 100.28 1qgb n GLY 98 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.51 0.00 -0.09 1.61 5.12 -1.26 -5.08 116.66 115.45 1qgb n ARG 99 Ca 0.00 0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 55.75 1qgb n ARG 99 Cb 0.17 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.38 1qgb n ARG 99 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1qgb h GLY 100 N 0.00 0.00 -4.90 -0.13 0.00 -1.79 -3.48 103.07 92.77 1qgb h GLY 100 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1qgb h GLY 100 CO 0.00 0.00 -0.55 0.54 0.00 0.00 0.00 176.54 176.53 1qgb n ARG 101 N -4.49 -2.47 -1.26 4.80 3.00 -0.13 -4.66 116.66 111.44 1qgb n ARG 101 Ca -0.25 1.89 -0.49 0.00 -0.01 0.00 0.00 57.85 58.99 1qgb n ARG 101 Cb 0.56 -2.48 -0.06 0.00 0.00 0.00 0.00 32.46 30.48 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 2.05 0.14 -4.32 0.55 -0.00 -1.24 -4.64 119.36 111.90 1qgb n ILE 102 Ca -0.08 -0.03 -0.18 0.00 -0.00 0.00 0.00 62.75 62.46 1qgb n ILE 102 Cb 0.13 0.00 -0.10 0.00 -0.00 0.00 0.00 39.64 39.67 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 -0.07 2.40 -0.05 4.38 0.15 -1.17 -4.96 113.70 114.38 1qgb s SER 103 Ca 0.75 -1.02 0.01 0.00 0.70 0.00 0.00 55.95 56.39 1qgb s SER 103 Cb -1.05 -0.11 0.02 0.00 -1.71 0.00 0.00 66.02 63.17 1qgb s SER 103 CO 0.48 -0.20 -0.04 0.00 1.20 0.00 0.00 173.24 174.68 1qgb s THR 105 N 1.13 -0.42 0.58 0.00 -1.32 -1.26 -4.96 115.64 109.39 1qgb s THR 105 Ca -0.08 0.24 -0.18 0.00 -1.21 0.00 0.00 61.69 60.47 1qgb s THR 105 Cb -0.14 -0.49 -0.12 0.00 -1.51 0.00 0.00 72.50 70.24 1qgb s THR 105 CO -0.01 0.10 0.11 -0.38 -2.21 0.00 0.00 174.62 172.23 1qgb n ILE 106 N 5.23 0.93 -3.06 5.08 5.41 -1.26 -3.33 119.36 128.36 1qgb n ILE 106 Ca -0.09 -0.49 -0.40 0.00 1.00 0.00 0.00 62.75 62.77 1qgb n ILE 106 Cb 0.50 -0.30 -0.05 0.00 -0.71 0.00 0.00 39.64 39.08 1qgb n ILE 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1qgb s ALA 107 N -1.90 3.55 0.53 -1.39 0.00 -1.26 -4.83 121.76 116.47 1qgb s ALA 107 Ca 0.61 -0.23 -0.22 0.00 0.00 0.00 0.00 51.96 52.11 1qgb s ALA 107 Cb -0.45 -3.04 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 1qgb s ALA 107 CO 0.62 -0.63 1.38 -0.80 0.00 0.00 0.00 175.76 176.33 1qgb s ASN 108 N 1.24 5.34 0.00 0.00 -0.87 -1.26 -5.11 114.94 114.28 1qgb s ASN 108 Ca 0.30 2.80 0.00 0.00 -1.57 0.00 0.00 52.86 54.40 1qgb s ASN 108 Cb -0.16 -2.64 0.00 0.00 -0.02 0.00 0.00 41.25 38.43 1qgb s ASN 108 CO 0.10 -1.53 0.00 -1.14 -2.57 0.00 0.00 177.10 171.96