#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qgb s LEU 12 N 0.00 0.12 0.05 1.53 2.96 -1.26 -0.59 118.68 121.49 2qgb s LEU 12 Ca 0.00 0.09 0.04 0.00 -0.22 0.00 0.00 54.13 54.05 2qgb s LEU 12 Cb 0.00 -0.10 -0.02 0.00 0.50 0.00 0.00 46.19 46.56 2qgb s LEU 12 CO 0.00 -0.25 -0.13 -0.32 -1.32 0.00 0.00 176.35 174.33 2qgb s MET 13 N 2.18 0.81 -0.07 1.98 -2.45 -0.24 -4.42 119.30 117.10 2qgb s MET 13 Ca 0.05 -0.82 0.04 0.00 -1.25 0.00 0.00 55.69 53.71 2qgb s MET 13 Cb -0.12 -0.79 0.00 0.00 1.25 0.00 0.00 34.83 35.18 2qgb s MET 13 CO -0.03 0.18 -0.19 0.08 1.05 0.00 0.00 175.02 176.11 2qgb s VAL 14 N -1.07 1.63 -0.07 10.11 1.01 -0.85 -0.84 120.40 130.32 2qgb s VAL 14 Ca -0.01 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.20 2qgb s VAL 14 Cb -0.09 -1.42 0.01 0.00 0.00 0.00 0.00 36.38 34.89 2qgb s VAL 14 CO 0.02 0.46 -0.13 -0.75 0.00 0.00 0.00 175.10 174.70 2qgb s LYS 15 N 0.30 1.79 -0.04 2.72 2.47 -0.20 -0.33 119.74 126.46 2qgb s LYS 15 Ca -0.12 -0.46 0.02 0.00 -1.56 0.00 0.00 55.97 53.85 2qgb s LYS 15 Cb -0.15 -1.47 0.01 0.00 -1.46 0.00 0.00 37.83 34.76 2qgb s LYS 15 CO 0.05 0.05 -0.08 0.08 0.16 0.00 0.00 175.35 175.62 2qgb s VAL 16 N 0.59 0.73 0.16 4.02 1.01 0.03 -0.86 120.40 126.07 2qgb s VAL 16 Ca -0.14 -0.28 0.09 0.00 0.00 0.00 0.00 61.98 61.65 2qgb s VAL 16 Cb -0.16 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 2qgb s VAL 16 CO 0.04 0.25 -0.11 -0.76 0.00 0.00 0.00 175.10 174.52 2qgb s LEU 17 N 0.56 2.94 -0.32 3.92 1.43 -0.27 -1.02 118.68 125.93 2qgb s LEU 17 Ca -0.09 -0.54 -0.06 0.00 -1.03 0.00 0.00 54.13 52.41 2qgb s LEU 17 Cb -0.12 -1.67 0.03 0.00 0.03 0.00 0.00 46.19 44.45 2qgb s LEU 17 CO 0.01 0.13 0.08 -0.62 0.23 0.00 0.00 176.35 176.18 2qgb s ASP 18 N -2.61 5.16 0.22 2.29 -1.08 0.24 -0.96 116.67 119.92 2qgb s ASP 18 Ca 0.23 -0.98 0.24 0.00 -0.52 0.00 0.00 52.55 51.53 2qgb s ASP 18 Cb -0.09 -1.85 0.91 0.00 -1.46 0.00 0.00 42.92 40.42 2qgb s ASP 18 CO 0.14 -0.26 1.74 0.00 0.52 0.00 0.00 175.17 177.31 2qgb n ALA 19 N 4.81 1.94 0.05 3.66 0.00 -0.11 -1.16 120.51 129.71 2qgb n ALA 19 Ca -0.13 0.03 -0.22 0.00 0.00 0.00 0.00 53.44 53.11 2qgb n ALA 19 Cb 0.46 -1.42 -0.15 0.00 0.00 0.00 0.00 19.45 18.34 2qgb n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qgb h VAL 20 N 0.00 1.18 0.00 0.00 2.07 -1.94 -3.38 116.25 114.17 2qgb h VAL 20 Ca 0.00 -2.50 0.00 0.00 0.82 0.00 0.00 66.70 65.02 2qgb h VAL 20 Cb 0.52 2.90 0.00 0.00 -1.52 0.00 0.00 31.29 33.19 2qgb h VAL 20 CO 0.00 0.75 -1.03 0.54 0.02 0.00 0.00 177.57 177.85 2qgb n ARG 21 N -3.88 0.10 -3.20 1.57 1.74 -1.22 -5.00 116.66 106.77 2qgb n ARG 21 Ca -0.21 -0.02 -0.15 0.00 -0.77 0.00 0.00 57.85 56.71 2qgb n ARG 21 Cb 0.94 -1.51 0.07 0.00 -1.02 0.00 0.00 32.46 30.94 2qgb n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qgb n GLY 22 N 1.46 -0.55 3.28 -0.13 0.00 -0.31 -5.03 105.19 103.91 2qgb n GLY 22 Ca 0.03 0.23 -0.10 0.00 0.00 0.00 0.00 46.02 46.18 2qgb n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qgb s SER 23 N -3.87 -0.06 0.57 1.61 0.01 -1.13 -5.02 113.70 105.81 2qgb s SER 23 Ca 0.17 -0.52 -0.20 0.00 1.31 0.00 0.00 55.95 56.70 2qgb s SER 23 Cb -0.02 0.42 -0.05 0.00 0.21 0.00 0.00 66.02 66.58 2qgb s SER 23 CO 0.66 -0.82 1.18 -2.65 0.41 0.00 0.00 173.24 172.02 2qgb n PRO 24 N -0.16 1.30 -3.09 12.44 -0.02 -1.26 -0.59 135.00 143.61 2qgb n PRO 24 Ca -0.14 0.49 -0.43 0.00 -2.02 0.00 0.00 63.50 61.39 2qgb n PRO 24 Cb 0.63 -2.37 -0.06 0.00 -0.02 0.00 0.00 33.50 31.67 2qgb n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qgb s ALA 25 N -1.38 3.33 0.08 3.55 0.00 -0.19 -4.50 121.76 122.65 2qgb s ALA 25 Ca 0.74 -1.30 -0.10 0.00 0.00 0.00 0.00 51.96 51.29 2qgb s ALA 25 Cb -0.43 -3.36 -0.06 0.00 0.00 0.00 0.00 23.12 19.28 2qgb s ALA 25 CO 0.48 -1.89 0.42 0.42 0.00 0.00 0.00 175.76 175.19 2qgb s ILE 26 N 2.91 5.06 -1.38 0.00 1.01 -1.26 -4.32 121.20 123.22 2qgb s ILE 26 Ca 0.22 0.51 -0.05 0.00 0.00 0.00 0.00 60.65 61.33 2qgb s ILE 26 Cb -0.15 -3.66 0.01 0.00 0.01 0.00 0.00 42.46 38.67 2qgb s ILE 26 CO 0.18 0.29 0.72 0.59 0.00 0.00 0.00 174.94 176.72 2qgb n ASN 27 N 0.92 -5.86 -4.69 3.58 3.02 -0.28 -4.94 115.26 107.01 2qgb n ASN 27 Ca -0.08 -0.33 -0.40 0.00 -0.03 0.00 0.00 54.58 53.74 2qgb n ASN 27 Cb 0.52 -4.63 -0.05 0.00 -0.61 0.00 0.00 39.78 35.02 2qgb n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2qgb s VAL 28 N -3.18 4.98 0.25 2.41 1.01 -1.26 -4.76 120.40 119.85 2qgb s VAL 28 Ca 0.36 1.47 -0.30 0.00 0.00 0.00 0.00 61.98 63.51 2qgb s VAL 28 Cb -0.16 -4.06 -0.09 0.00 0.00 0.00 0.00 36.38 32.07 2qgb s VAL 28 CO 0.44 0.15 0.97 0.00 0.00 0.00 0.00 175.10 176.66 2qgb s ALA 29 N 1.48 3.34 -0.04 5.51 0.00 -1.26 -1.20 121.76 129.59 2qgb s ALA 29 Ca 0.36 0.67 0.01 0.00 0.00 0.00 0.00 51.96 53.00 2qgb s ALA 29 Cb -0.17 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 19.74 2qgb s ALA 29 CO 0.15 0.13 -0.03 0.08 0.00 0.00 0.00 175.76 176.09 2qgb s VAL 30 N -1.21 0.42 -0.12 0.00 1.01 0.04 -0.84 120.40 119.71 2qgb s VAL 30 Ca 0.42 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.39 2qgb s VAL 30 Cb -0.27 -0.47 0.00 0.00 0.00 0.00 0.00 36.38 35.64 2qgb s VAL 30 CO 0.33 0.20 -0.21 -1.00 0.00 0.00 0.00 175.10 174.43 2qgb s HIS 31 N 1.04 2.65 -0.11 5.22 3.76 -0.11 -1.24 115.29 126.49 2qgb s HIS 31 Ca -0.09 -1.07 -0.02 0.00 -0.15 0.00 0.00 55.06 53.73 2qgb s HIS 31 Cb -0.14 -1.78 -0.03 0.00 1.11 0.00 0.00 32.58 31.74 2qgb s HIS 31 CO -0.01 -0.45 -0.05 0.08 -0.85 0.00 0.00 174.74 173.46 2qgb s VAL 32 N 0.53 3.84 0.23 -0.90 1.01 0.14 0.01 120.40 125.26 2qgb s VAL 32 Ca -0.13 -0.40 0.10 0.00 0.00 0.00 0.00 61.98 61.55 2qgb s VAL 32 Cb -0.17 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 2qgb s VAL 32 CO 0.05 0.55 -0.19 -0.36 0.00 0.00 0.00 175.10 175.14 2qgb s PHE 33 N -0.21 2.09 -0.03 5.22 0.40 0.34 -0.32 117.98 125.46 2qgb s PHE 33 Ca 0.03 -0.41 0.03 0.00 -0.60 0.00 0.00 56.93 55.98 2qgb s PHE 33 Cb -0.13 -0.96 0.00 0.00 0.51 0.00 0.00 43.02 42.45 2qgb s PHE 33 CO 0.02 0.54 -0.11 0.50 0.70 0.00 0.00 175.22 176.87 2qgb s ARG 34 N -3.27 1.14 0.04 0.44 3.52 -0.05 -0.93 118.95 119.84 2qgb s ARG 34 Ca 0.24 -0.37 -0.31 0.00 -0.13 0.00 0.00 55.73 55.17 2qgb s ARG 34 Cb -0.05 -1.04 -0.07 0.00 -1.56 0.00 0.00 34.95 32.23 2qgb s ARG 34 CO 0.11 0.14 1.49 0.15 -0.81 0.00 0.00 175.30 176.38 2qgb s LYS 35 N 0.16 4.26 0.73 5.12 -0.14 0.07 -1.22 119.74 128.72 2qgb s LYS 35 Ca -0.03 2.11 -0.05 0.00 -1.36 0.00 0.00 55.97 56.64 2qgb s LYS 35 Cb -0.09 -3.52 0.10 0.00 -1.68 0.00 0.00 37.83 32.64 2qgb s LYS 35 CO 0.01 -0.61 1.02 0.00 -0.76 0.00 0.00 175.35 175.01 2qgb s ALA 36 N 2.26 3.31 0.49 5.17 0.00 0.21 -4.71 121.76 128.49 2qgb s ALA 36 Ca 0.67 -1.30 0.18 0.00 0.00 0.00 0.00 51.96 51.51 2qgb s ALA 36 Cb -0.35 -2.35 1.21 0.00 0.00 0.00 0.00 23.12 21.63 2qgb s ALA 36 CO 0.29 -1.44 2.03 0.00 0.00 0.00 0.00 175.76 176.64 2qgb h ALA 37 N -0.63 2.17 -0.41 0.00 0.00 -1.95 -0.19 119.26 118.26 2qgb h ALA 37 Ca -0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2qgb h ALA 37 Cb 1.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2qgb h ALA 37 CO 0.49 -0.27 0.00 -0.40 0.00 0.00 0.00 179.25 179.07 2qgb n ASP 38 N -4.46 2.75 0.00 0.00 5.68 -1.26 -4.92 116.55 114.34 2qgb n ASP 38 Ca 0.06 -2.16 0.00 0.00 -0.50 0.00 0.00 54.79 52.19 2qgb n ASP 38 Cb 0.36 -0.38 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 2qgb n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2qgb n ASP 39 N 0.66 -2.88 -4.89 -1.12 8.00 -0.08 -5.02 116.55 111.22 2qgb n ASP 39 Ca 0.15 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.36 2qgb n ASP 39 Cb 0.49 -1.29 -0.01 0.00 -0.02 0.00 0.00 41.12 40.30 2qgb n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2qgb s THR 40 N -2.05 4.86 -0.55 -3.53 -4.23 -1.26 -4.77 115.64 104.11 2qgb s THR 40 Ca 0.00 0.38 -0.23 0.00 -1.18 0.00 0.00 61.69 60.67 2qgb s THR 40 Cb 0.00 -3.82 0.05 0.00 1.34 0.00 0.00 72.50 70.07 2qgb s THR 40 CO 0.00 -0.75 0.87 0.26 -0.54 0.00 0.00 174.62 174.45 2qgb s TRP 41 N -2.64 2.85 -0.01 3.99 0.52 -1.26 -0.62 118.94 121.77 2qgb s TRP 41 Ca 0.49 -0.18 -0.18 0.00 0.02 0.00 0.00 56.10 56.25 2qgb s TRP 41 Cb -0.10 -3.96 -0.06 0.00 -1.15 0.00 0.00 33.47 28.20 2qgb s TRP 41 CO 0.41 -1.30 0.50 -1.21 0.02 0.00 0.00 176.95 175.37 2qgb s GLU 42 N 3.64 4.16 0.25 4.98 2.02 -0.36 -4.84 118.70 128.56 2qgb s GLU 42 Ca 0.26 0.57 -0.31 0.00 0.02 0.00 0.00 54.97 55.51 2qgb s GLU 42 Cb -0.14 -3.30 -0.12 0.00 0.10 0.00 0.00 34.13 30.67 2qgb s GLU 42 CO 0.17 0.50 1.67 -2.30 0.02 0.00 0.00 175.26 175.31 2qgb n PRO 43 N 2.36 2.75 -0.04 0.39 -0.02 -1.26 -0.88 135.00 138.31 2qgb n PRO 43 Ca -0.10 0.99 -0.07 0.00 -2.02 0.00 0.00 63.50 62.30 2qgb n PRO 43 Cb 0.51 -2.80 -0.03 0.00 -0.02 0.00 0.00 33.50 31.16 2qgb n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2qgb n PHE 44 N 3.06 0.00 -3.51 6.00 7.35 0.57 -4.81 117.46 126.13 2qgb n PHE 44 Ca 0.12 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.72 2qgb n PHE 44 Cb 0.36 -0.26 -0.02 0.00 0.35 0.00 0.00 39.48 39.90 2qgb n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2qgb s ALA 45 N -2.14 -1.77 0.18 3.13 0.00 -0.97 -5.00 121.76 115.19 2qgb s ALA 45 Ca -0.10 0.86 -0.13 0.00 0.00 0.00 0.00 51.96 52.59 2qgb s ALA 45 Cb 0.03 0.52 0.01 0.00 0.00 0.00 0.00 23.12 23.68 2qgb s ALA 45 CO 0.14 -0.73 0.40 -1.54 0.00 0.00 0.00 175.76 174.03 2qgb s SER 46 N -2.56 -0.10 0.00 0.00 1.04 -1.26 0.28 113.70 111.10 2qgb s SER 46 Ca 0.05 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 55.80 2qgb s SER 46 Cb -0.01 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.61 2qgb s SER 46 CO -0.09 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.77 2qgb n GLY 47 N -0.27 0.56 3.07 7.32 0.00 -0.38 -4.95 105.19 110.54 2qgb n GLY 47 Ca -0.09 -0.81 -0.08 0.00 0.00 0.00 0.00 46.02 45.04 2qgb n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qgb s LYS 48 N -1.86 0.54 0.47 1.61 -2.85 -1.26 -0.78 119.74 115.62 2qgb s LYS 48 Ca 0.00 -0.94 -0.22 0.00 -1.00 0.00 0.00 55.97 53.81 2qgb s LYS 48 Cb 0.00 0.20 -0.07 0.00 -2.06 0.00 0.00 37.83 35.89 2qgb s LYS 48 CO 0.00 -0.11 1.13 0.95 0.10 0.00 0.00 175.35 177.41 2qgb s THR 49 N -2.97 3.29 0.06 3.79 -4.23 -0.34 -4.68 115.64 110.56 2qgb s THR 49 Ca -0.02 0.92 -0.01 0.00 -1.18 0.00 0.00 61.69 61.40 2qgb s THR 49 Cb 0.01 -3.44 0.01 0.00 1.34 0.00 0.00 72.50 70.43 2qgb s THR 49 CO -0.06 -0.06 0.08 -1.54 -0.54 0.00 0.00 174.62 172.49 2qgb n SER 50 N -0.64 0.03 0.22 3.99 3.41 0.01 -1.12 113.62 119.51 2qgb n SER 50 Ca 0.08 -1.04 0.15 0.00 -0.26 0.00 0.00 58.87 57.80 2qgb n SER 50 Cb 0.49 -0.06 0.70 0.00 -0.26 0.00 0.00 64.21 65.09 2qgb n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2qgb h GLU 51 N 0.00 0.00 -0.04 4.33 4.39 -1.94 -0.10 114.58 121.22 2qgb h GLU 51 Ca -0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2qgb h GLU 51 Cb 0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2qgb h GLU 51 CO 0.02 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.74 2qgb n SER 52 N -2.65 1.48 -0.04 1.42 3.41 -1.26 -4.79 113.62 111.19 2qgb n SER 52 Ca 0.00 -1.52 -0.00 0.00 -0.26 0.00 0.00 58.87 57.09 2qgb n SER 52 Cb 0.18 -0.02 -0.00 0.00 -0.26 0.00 0.00 64.21 64.11 2qgb n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qgb n GLY 53 N 1.16 0.46 3.65 5.00 0.00 -0.05 -4.78 105.19 110.64 2qgb n GLY 53 Ca 0.19 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2qgb n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qgb s GLU 54 N -0.61 2.39 -0.17 1.61 2.02 -1.26 -0.79 118.70 121.88 2qgb s GLU 54 Ca 0.00 -0.95 -0.01 0.00 0.02 0.00 0.00 54.97 54.03 2qgb s GLU 54 Cb 0.00 -2.43 0.05 0.00 0.10 0.00 0.00 34.13 31.85 2qgb s GLU 54 CO 0.00 0.51 -0.02 -1.17 0.02 0.00 0.00 175.26 174.60 2qgb s LEU 55 N -2.40 1.49 0.32 1.80 2.96 0.56 -0.81 118.68 122.59 2qgb s LEU 55 Ca 0.25 -0.72 0.09 0.00 -0.22 0.00 0.00 54.13 53.53 2qgb s LEU 55 Cb -0.11 -0.79 -0.04 0.00 0.50 0.00 0.00 46.19 45.74 2qgb s LEU 55 CO 0.17 -0.23 0.08 -1.00 -1.32 0.00 0.00 176.35 174.04 2qgb s HIS 56 N 1.71 2.67 -0.13 5.38 3.76 -1.26 -2.01 115.29 125.42 2qgb s HIS 56 Ca -0.00 -0.35 0.00 0.00 -0.15 0.00 0.00 55.06 54.55 2qgb s HIS 56 Cb -0.16 -1.49 0.00 0.00 1.11 0.00 0.00 32.58 32.04 2qgb s HIS 56 CO -0.07 0.44 0.00 0.41 -0.85 0.00 0.00 174.74 174.67 2qgb n GLY 57 N -1.04 0.50 0.29 -2.22 0.00 -1.26 -4.93 105.19 96.52 2qgb n GLY 57 Ca -0.04 -0.69 -0.05 0.00 0.00 0.00 0.00 46.02 45.23 2qgb n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qgb h LEU 58 N 0.00 0.81 0.00 0.99 3.38 -1.87 -3.47 115.31 115.14 2qgb h LEU 58 Ca -0.02 -0.21 -0.15 0.00 0.09 0.00 0.00 57.88 57.59 2qgb h LEU 58 Cb 0.10 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 2qgb h LEU 58 CO 0.04 0.88 0.00 1.07 0.09 0.00 0.00 178.44 180.52 2qgb n THR 59 N -4.20 0.00 -4.39 0.22 5.66 -1.26 -4.79 114.28 105.52 2qgb n THR 59 Ca 0.02 -1.18 -0.21 0.00 -3.05 0.00 0.00 64.05 59.64 2qgb n THR 59 Cb 0.32 0.83 -0.10 0.00 -1.55 0.00 0.00 70.33 69.83 2qgb n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2qgb s THR 60 N -2.58 2.02 0.35 1.09 -4.23 -1.26 -4.64 115.64 106.40 2qgb s THR 60 Ca 0.19 -2.23 0.04 0.00 -1.18 0.00 0.00 61.69 58.51 2qgb s THR 60 Cb -0.02 -2.10 0.28 0.00 1.34 0.00 0.00 72.50 72.00 2qgb s THR 60 CO 0.14 -0.47 1.97 -0.08 -0.54 0.00 0.00 174.62 175.64 2qgb h GLU 61 N 2.59 0.82 -0.37 3.99 4.81 -2.00 -0.63 114.58 123.79 2qgb h GLU 61 Ca -0.40 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 58.74 2qgb h GLU 61 Cb 1.23 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 2qgb h GLU 61 CO 0.59 0.54 0.05 0.93 -0.73 0.00 0.00 179.01 180.39 2qgb h GLU 62 N 0.84 0.62 0.00 1.92 5.08 -2.04 -3.21 114.58 117.79 2qgb h GLU 62 Ca 0.30 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2qgb h GLU 62 Cb 0.13 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 2qgb h GLU 62 CO -0.09 0.69 -0.37 0.93 -1.00 0.00 0.00 179.01 179.17 2qgb h GLU 63 N 0.45 0.00 -3.81 2.33 5.08 -1.87 -3.38 114.58 113.38 2qgb h GLU 63 Ca 0.11 0.00 -0.74 0.00 -1.00 0.00 0.00 59.36 57.73 2qgb h GLU 63 Cb 0.38 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.52 2qgb h GLU 63 CO 0.01 0.02 2.44 0.34 -1.00 0.00 0.00 179.01 180.82 2qgb n PHE 64 N -2.96 3.29 -1.71 4.33 7.35 -0.28 -4.94 117.46 122.54 2qgb n PHE 64 Ca 0.02 -2.88 -0.29 0.00 -0.76 0.00 0.00 57.45 53.54 2qgb n PHE 64 Cb 0.55 -2.21 0.15 0.00 0.35 0.00 0.00 39.48 38.31 2qgb n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2qgb s VAL 65 N 1.62 1.96 0.41 -2.13 -7.23 -1.26 -4.94 120.40 108.83 2qgb s VAL 65 Ca 0.43 0.00 -0.23 0.00 -1.81 0.00 0.00 61.98 60.37 2qgb s VAL 65 Cb 0.11 -2.87 -0.12 0.00 0.56 0.00 0.00 36.38 34.06 2qgb s VAL 65 CO -0.03 0.00 0.66 -0.62 -0.31 0.00 0.00 175.10 174.80 2qgb n GLU 66 N -3.74 0.73 0.00 4.82 1.02 -1.26 -4.77 120.64 117.44 2qgb n GLU 66 Ca 0.10 0.26 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 2qgb n GLU 66 Cb 0.60 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 2qgb n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qgb n GLY 67 N 1.65 -0.96 3.52 0.62 0.00 -1.08 -5.00 105.19 103.95 2qgb n GLY 67 Ca 0.11 -1.26 -0.37 0.00 0.00 0.00 0.00 46.02 44.51 2qgb n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qgb s ILE 68 N -2.00 4.79 0.07 -0.61 1.01 -1.26 -0.96 121.20 122.24 2qgb s ILE 68 Ca 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 60.65 60.70 2qgb s ILE 68 Cb 0.00 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 2qgb s ILE 68 CO 0.00 0.31 -0.10 -0.31 0.00 0.00 0.00 174.94 174.84 2qgb s TYR 69 N 1.60 2.76 -0.14 3.97 1.51 0.01 -0.75 117.35 126.31 2qgb s TYR 69 Ca 0.06 -0.14 0.00 0.00 -1.01 0.00 0.00 57.07 55.99 2qgb s TYR 69 Cb -0.15 -1.49 0.02 0.00 -0.11 0.00 0.00 41.96 40.23 2qgb s TYR 69 CO 0.07 0.39 -0.12 0.21 -1.11 0.00 0.00 175.55 174.98 2qgb s LYS 70 N -1.89 2.08 -0.39 -0.62 2.20 -0.10 -1.24 119.74 119.78 2qgb s LYS 70 Ca 0.19 -0.51 -0.13 0.00 -0.36 0.00 0.00 55.97 55.17 2qgb s LYS 70 Cb -0.11 -2.01 0.03 0.00 -1.51 0.00 0.00 37.83 34.23 2qgb s LYS 70 CO 0.11 -0.26 0.25 0.08 -0.36 0.00 0.00 175.35 175.17 2qgb s VAL 71 N 1.54 4.89 -0.26 4.02 1.01 0.28 -0.51 120.40 131.37 2qgb s VAL 71 Ca 0.04 -0.78 -0.10 0.00 0.00 0.00 0.00 61.98 61.15 2qgb s VAL 71 Cb -0.13 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 2qgb s VAL 71 CO -0.10 -0.28 0.15 -0.70 0.00 0.00 0.00 175.10 174.17 2qgb s GLU 72 N 1.61 3.90 -0.26 2.72 2.12 0.10 -0.51 118.70 128.38 2qgb s GLU 72 Ca 0.03 -0.35 -0.08 0.00 0.36 0.00 0.00 54.97 54.93 2qgb s GLU 72 Cb -0.19 -3.54 -0.03 0.00 0.26 0.00 0.00 34.13 30.63 2qgb s GLU 72 CO 0.08 -0.13 0.10 0.42 -0.54 0.00 0.00 175.26 175.19 2qgb s ILE 73 N 1.56 4.47 -1.34 -3.70 1.01 0.22 -0.93 121.20 122.49 2qgb s ILE 73 Ca 0.07 -0.17 -0.12 0.00 0.00 0.00 0.00 60.65 60.43 2qgb s ILE 73 Cb -0.15 -3.12 0.11 0.00 0.01 0.00 0.00 42.46 39.30 2qgb s ILE 73 CO 0.08 0.29 1.95 0.47 0.00 0.00 0.00 174.94 177.72 2qgb n ASP 74 N 4.95 4.64 -0.04 3.58 8.00 -0.02 -1.22 116.55 136.44 2qgb n ASP 74 Ca -0.16 -2.98 -0.07 0.00 0.71 0.00 0.00 54.79 52.30 2qgb n ASP 74 Cb 0.51 -1.58 0.12 0.00 -0.02 0.00 0.00 41.12 40.14 2qgb n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2qgb h THR 75 N 4.12 1.28 -0.31 -3.53 1.35 -1.86 -1.81 112.91 112.15 2qgb h THR 75 Ca 0.46 -1.40 -0.03 0.00 -0.55 0.00 0.00 66.41 64.89 2qgb h THR 75 Cb 0.68 1.35 -0.01 0.00 -1.73 0.00 0.00 68.15 68.44 2qgb h THR 75 CO 1.67 0.45 0.08 0.50 -0.25 0.00 0.00 175.52 177.97 2qgb h LYS 76 N 0.56 0.49 -0.95 4.72 3.64 -1.65 -0.67 116.57 122.71 2qgb h LYS 76 Ca 0.07 -0.12 0.04 0.00 -1.27 0.00 0.00 60.65 59.37 2qgb h LYS 76 Cb 0.78 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.48 2qgb h LYS 76 CO 0.06 0.56 0.62 0.77 -2.27 0.00 0.00 179.45 179.19 2qgb h SER 77 N 0.34 1.02 0.23 4.20 0.02 -1.77 0.29 113.55 117.88 2qgb h SER 77 Ca 0.10 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2qgb h SER 77 Cb 0.28 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2qgb h SER 77 CO 0.00 0.69 -0.11 0.22 -1.14 0.00 0.00 176.83 176.49 2qgb h TYR 78 N 1.18 -0.29 -0.46 3.45 3.20 -0.91 -1.08 116.97 122.07 2qgb h TYR 78 Ca 0.38 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.13 2qgb h TYR 78 Cb 0.04 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 2qgb h TYR 78 CO -0.00 -0.08 -0.17 -1.49 -1.64 0.00 0.00 178.16 174.78 2qgb h TRP 79 N -0.44 0.99 -0.21 -3.82 4.06 -0.79 -2.76 115.95 112.98 2qgb h TRP 79 Ca -0.03 -0.21 -0.10 0.00 2.06 0.00 0.00 58.89 60.61 2qgb h TRP 79 Cb 0.33 -0.24 -0.01 0.00 -1.00 0.00 0.00 29.16 28.24 2qgb h TRP 79 CO -0.02 0.97 -0.30 0.87 -3.56 0.00 0.00 178.44 176.40 2qgb h LYS 80 N 0.77 0.41 0.00 0.49 1.57 -0.30 -0.84 116.57 118.67 2qgb h LYS 80 Ca 0.12 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2qgb h LYS 80 Cb 0.70 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 2qgb h LYS 80 CO 0.05 0.67 -0.11 0.00 -0.57 0.00 0.00 179.45 179.50 2qgb h ALA 81 N 1.33 1.19 -0.14 3.86 0.00 -0.95 -0.07 119.26 124.48 2qgb h ALA 81 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2qgb h ALA 81 Cb 0.71 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2qgb h ALA 81 CO 0.05 0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.72 2qgb n LEU 82 N -3.49 1.96 -0.28 0.00 4.77 -0.42 -4.95 117.00 114.59 2qgb n LEU 82 Ca -0.01 -0.77 -0.03 0.00 -0.03 0.00 0.00 56.01 55.16 2qgb n LEU 82 Cb 0.25 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 2qgb n LEU 82 CO 0.29 0.38 -0.03 0.61 -1.33 0.00 0.00 177.39 177.31 2qgb n GLY 83 N 1.21 0.60 3.57 -0.72 0.00 -0.04 -5.05 105.19 104.76 2qgb n GLY 83 Ca 0.17 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.96 2qgb n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qgb s ILE 84 N -2.13 3.81 -0.70 -0.61 1.01 -0.59 -4.99 121.20 116.99 2qgb s ILE 84 Ca 0.00 -0.42 -0.21 0.00 0.00 0.00 0.00 60.65 60.02 2qgb s ILE 84 Cb 0.00 -2.59 0.10 0.00 0.01 0.00 0.00 42.46 39.97 2qgb s ILE 84 CO 0.00 0.57 0.92 -0.55 0.00 0.00 0.00 174.94 175.89 2qgb s SER 85 N -0.50 6.29 0.70 3.58 0.15 -1.26 -2.95 113.70 119.71 2qgb s SER 85 Ca 0.08 -1.38 0.01 0.00 0.70 0.00 0.00 55.95 55.36 2qgb s SER 85 Cb -0.12 -2.38 0.12 0.00 -1.71 0.00 0.00 66.02 61.94 2qgb s SER 85 CO 0.02 -1.25 0.96 -2.16 1.20 0.00 0.00 173.24 172.01 2qgb s PRO 86 N 3.30 1.76 -0.16 5.44 0.04 -1.26 -5.02 135.00 139.11 2qgb s PRO 86 Ca 0.21 -1.24 -0.27 0.00 0.04 0.00 0.00 61.00 59.75 2qgb s PRO 86 Cb -0.16 -2.39 -0.24 0.00 0.04 0.00 0.00 34.50 31.75 2qgb s PRO 86 CO 0.04 -1.36 0.61 0.35 0.04 0.00 0.00 177.00 176.68 2qgb h PHE 87 N -0.41 0.01 -3.75 0.56 3.57 -1.44 -3.48 116.94 111.99 2qgb h PHE 87 Ca -0.35 -0.01 -0.49 0.00 3.53 0.00 0.00 57.97 60.65 2qgb h PHE 87 Cb 1.27 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.01 2qgb h PHE 87 CO -0.10 1.15 0.14 -1.01 -2.23 0.00 0.00 178.31 176.26 2qgb s HIS 88 N -2.26 3.46 0.02 0.41 3.76 -1.26 -4.99 115.29 114.42 2qgb s HIS 88 Ca -0.22 1.10 -0.19 0.00 -0.15 0.00 0.00 55.06 55.60 2qgb s HIS 88 Cb -0.00 -2.49 -0.20 0.00 1.11 0.00 0.00 32.58 31.00 2qgb s HIS 88 CO 0.66 -0.12 1.18 0.93 -0.85 0.00 0.00 174.74 176.54 2qgb h GLU 89 N 1.30 0.44 -2.55 1.40 4.39 -1.98 -3.35 114.58 114.24 2qgb h GLU 89 Ca -0.47 -0.39 0.13 0.00 0.34 0.00 0.00 59.36 58.97 2qgb h GLU 89 Cb 1.19 0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 29.84 2qgb h GLU 89 CO 0.64 1.03 0.40 -3.38 -1.16 0.00 0.00 179.01 176.54 2qgb s HIS 90 N -3.52 -0.19 -0.12 4.33 -3.43 -1.26 -2.71 115.29 108.38 2qgb s HIS 90 Ca -0.13 -0.13 -0.03 0.00 -0.80 0.00 0.00 55.06 53.97 2qgb s HIS 90 Cb 0.04 0.64 -0.03 0.00 -1.43 0.00 0.00 32.58 31.81 2qgb s HIS 90 CO 0.81 -0.91 -0.02 0.00 -2.00 0.00 0.00 174.74 172.62 2qgb s ALA 91 N -3.46 3.11 -0.11 -1.38 0.00 -0.36 -4.86 121.76 114.70 2qgb s ALA 91 Ca 0.10 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.26 2qgb s ALA 91 Cb -0.03 -1.50 -0.01 0.00 0.00 0.00 0.00 23.12 21.58 2qgb s ALA 91 CO 0.01 0.38 -0.17 -1.21 0.00 0.00 0.00 175.76 174.78 2qgb s GLU 92 N -0.21 3.15 -0.20 0.00 2.02 -1.26 0.70 118.70 122.90 2qgb s GLU 92 Ca 0.04 -0.75 0.01 0.00 0.02 0.00 0.00 54.97 54.30 2qgb s GLU 92 Cb -0.13 -2.49 0.04 0.00 0.10 0.00 0.00 34.13 31.65 2qgb s GLU 92 CO 0.02 0.26 -0.12 0.08 0.02 0.00 0.00 175.26 175.52 2qgb s VAL 93 N 0.20 1.79 -0.11 2.63 1.01 0.33 -4.96 120.40 121.29 2qgb s VAL 93 Ca -0.10 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 60.84 2qgb s VAL 93 Cb -0.16 -1.82 0.01 0.00 0.00 0.00 0.00 36.38 34.41 2qgb s VAL 93 CO 0.06 0.22 -0.21 -0.69 0.00 0.00 0.00 175.10 174.47 2qgb s VAL 94 N 1.34 1.91 -0.01 2.92 1.01 -1.26 -0.56 120.40 125.75 2qgb s VAL 94 Ca -0.01 -0.92 -0.27 0.00 0.00 0.00 0.00 61.98 60.79 2qgb s VAL 94 Cb -0.16 -1.68 0.06 0.00 0.00 0.00 0.00 36.38 34.60 2qgb s VAL 94 CO -0.09 0.53 0.59 0.72 0.00 0.00 0.00 175.10 176.85 2qgb s PHE 95 N 0.57 -0.54 0.06 5.22 -0.71 -0.37 -5.00 117.98 117.21 2qgb s PHE 95 Ca -0.14 0.83 -0.29 0.00 -1.04 0.00 0.00 56.93 56.28 2qgb s PHE 95 Cb -0.17 0.36 -0.05 0.00 -1.21 0.00 0.00 43.02 41.96 2qgb s PHE 95 CO 0.04 -0.60 0.95 0.99 -1.34 0.00 0.00 175.22 175.26 2qgb s THR 96 N -1.62 4.66 0.09 -4.49 2.01 -1.26 -0.80 115.64 114.22 2qgb s THR 96 Ca -0.09 2.02 0.09 0.00 0.31 0.00 0.00 61.69 64.01 2qgb s THR 96 Cb -0.01 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.17 2qgb s THR 96 CO 0.05 0.27 -0.23 0.00 -0.69 0.00 0.00 174.62 174.02 2qgb s ALA 97 N 0.36 1.96 -1.70 7.40 0.00 -0.14 -4.84 121.76 124.81 2qgb s ALA 97 Ca 0.48 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 51.19 2qgb s ALA 97 Cb -0.22 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.58 2qgb s ALA 97 CO 0.28 0.42 0.00 0.09 0.00 0.00 0.00 175.76 176.56 2qgb n ASN 98 N 1.29 -5.01 -0.01 0.00 3.02 -1.26 -2.62 115.26 110.66 2qgb n ASN 98 Ca -0.18 0.30 0.14 0.00 -0.03 0.00 0.00 54.58 54.81 2qgb n ASN 98 Cb 0.53 -4.03 0.67 0.00 -0.61 0.00 0.00 39.78 36.34 2qgb n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2qgb n ASP 99 N -0.85 0.08 -0.94 6.41 5.75 -1.26 -2.48 116.55 123.25 2qgb n ASP 99 Ca -0.18 0.01 0.01 0.00 -0.01 0.00 0.00 54.79 54.62 2qgb n ASP 99 Cb 0.58 -0.30 0.16 0.00 -1.03 0.00 0.00 41.12 40.53 2qgb n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2qgb n SER 100 N -1.33 2.16 0.00 -1.12 7.64 -1.26 -5.09 113.62 114.62 2qgb n SER 100 Ca 0.11 -3.69 0.00 0.00 1.01 0.00 0.00 58.87 56.31 2qgb n SER 100 Cb 0.28 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 2qgb n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qgb n GLY 101 N -0.91 1.06 3.77 0.23 0.00 -1.04 -4.98 105.19 103.32 2qgb n GLY 101 Ca 0.22 -1.98 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 2qgb n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qgb s PRO 102 N -1.89 4.17 0.20 1.61 0.04 -1.26 -4.31 135.00 133.55 2qgb s PRO 102 Ca 0.00 2.49 0.03 0.00 0.04 0.00 0.00 61.00 63.56 2qgb s PRO 102 Cb 0.00 -3.02 -0.05 0.00 0.04 0.00 0.00 34.50 31.48 2qgb s PRO 102 CO 0.00 -0.49 -0.03 1.03 0.04 0.00 0.00 177.00 177.55 2qgb s ARG 103 N -1.40 1.21 -0.19 4.56 1.81 -1.26 -4.60 118.95 119.08 2qgb s ARG 103 Ca 0.56 -1.59 -0.07 0.00 -1.72 0.00 0.00 55.73 52.91 2qgb s ARG 103 Cb -0.45 -0.53 -0.04 0.00 -0.45 0.00 0.00 34.95 33.47 2qgb s ARG 103 CO 0.55 -0.06 0.06 1.03 -0.68 0.00 0.00 175.30 176.20 2qgb s ARG 104 N -3.85 3.97 -0.13 3.54 0.52 -0.10 -4.84 118.95 118.06 2qgb s ARG 104 Ca 0.24 -0.35 0.01 0.00 -0.52 0.00 0.00 55.73 55.12 2qgb s ARG 104 Cb 0.05 -3.23 -0.01 0.00 0.52 0.00 0.00 34.95 32.29 2qgb s ARG 104 CO 0.06 0.25 -0.16 0.71 0.02 0.00 0.00 175.30 176.17 2qgb s TYR 105 N 0.44 2.74 -0.19 -0.53 1.51 0.24 -0.95 117.35 120.60 2qgb s TYR 105 Ca 0.03 -0.91 -0.03 0.00 -1.01 0.00 0.00 57.07 55.15 2qgb s TYR 105 Cb -0.12 -1.83 -0.01 0.00 -0.11 0.00 0.00 41.96 39.88 2qgb s TYR 105 CO 0.00 -0.38 -0.07 0.99 -1.11 0.00 0.00 175.55 174.99 2qgb s THR 106 N 0.56 3.25 -0.37 -0.71 2.01 0.01 -1.07 115.64 119.32 2qgb s THR 106 Ca -0.10 -0.55 -0.12 0.00 0.31 0.00 0.00 61.69 61.23 2qgb s THR 106 Cb -0.16 -2.45 0.02 0.00 0.01 0.00 0.00 72.50 69.92 2qgb s THR 106 CO 0.04 0.46 0.22 -0.63 -0.69 0.00 0.00 174.62 174.02 2qgb s ILE 107 N 1.14 4.77 0.01 1.82 -1.09 -0.02 -1.09 121.20 126.73 2qgb s ILE 107 Ca 0.01 -0.74 -0.00 0.00 -2.23 0.00 0.00 60.65 57.69 2qgb s ILE 107 Cb -0.14 -3.63 -0.04 0.00 -1.58 0.00 0.00 42.46 37.07 2qgb s ILE 107 CO -0.02 -0.21 0.10 0.00 -1.23 0.00 0.00 174.94 173.59 2qgb s ALA 108 N 1.60 3.66 -0.03 9.38 0.00 -0.27 -1.03 121.76 135.07 2qgb s ALA 108 Ca 0.03 -0.87 -0.04 0.00 0.00 0.00 0.00 51.96 51.08 2qgb s ALA 108 Cb -0.19 -1.62 0.01 0.00 0.00 0.00 0.00 23.12 21.32 2qgb s ALA 108 CO 0.08 0.72 0.10 0.00 0.00 0.00 0.00 175.76 176.65 2qgb s ALA 109 N -1.26 -0.24 -0.18 0.00 0.00 -0.04 -1.31 121.76 118.73 2qgb s ALA 109 Ca 0.25 0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.36 2qgb s ALA 109 Cb -0.12 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 22.92 2qgb s ALA 109 CO 0.17 -0.09 -0.20 -1.17 0.00 0.00 0.00 175.76 174.47 2qgb s LEU 110 N -0.33 2.13 -0.10 0.00 2.96 -0.08 -1.11 118.68 122.13 2qgb s LEU 110 Ca -0.04 -0.65 -0.01 0.00 -0.22 0.00 0.00 54.13 53.21 2qgb s LEU 110 Cb -0.03 -1.47 -0.03 0.00 0.50 0.00 0.00 46.19 45.16 2qgb s LEU 110 CO 0.00 -0.00 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.23 2qgb s LEU 111 N 1.30 3.29 0.14 -0.68 1.43 -0.14 -1.82 118.68 122.19 2qgb s LEU 111 Ca 0.05 -0.02 0.04 0.00 -1.03 0.00 0.00 54.13 53.16 2qgb s LEU 111 Cb -0.13 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 2qgb s LEU 111 CO -0.13 0.30 -0.08 -0.44 0.23 0.00 0.00 176.35 176.23 2qgb s SER 112 N -0.40 1.61 0.45 2.29 0.01 0.27 -0.93 113.70 117.00 2qgb s SER 112 Ca 0.06 -1.04 0.13 0.00 1.31 0.00 0.00 55.95 56.41 2qgb s SER 112 Cb -0.12 0.02 1.03 0.00 0.21 0.00 0.00 66.02 67.16 2qgb s SER 112 CO 0.02 -0.39 2.04 -0.65 0.41 0.00 0.00 173.24 174.67 2qgb h PRO 113 N 2.80 0.36 -0.09 12.44 0.11 -1.99 -2.87 132.00 142.76 2qgb h PRO 113 Ca -0.36 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2qgb h PRO 113 Cb 1.19 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2qgb h PRO 113 CO 0.64 0.24 0.00 0.66 -0.21 0.00 0.00 178.00 179.32 2qgb n TYR 114 N -4.48 0.28 -3.57 0.65 4.02 -1.26 -1.03 117.16 111.76 2qgb n TYR 114 Ca 0.05 -0.89 -0.14 0.00 -0.01 0.00 0.00 57.90 56.91 2qgb n TYR 114 Cb 0.23 -0.18 -0.06 0.00 -0.02 0.00 0.00 39.34 39.31 2qgb n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2qgb s SER 115 N -2.34 -0.58 0.08 7.72 0.15 -1.08 -4.97 113.70 112.67 2qgb s SER 115 Ca 0.31 0.81 -0.09 0.00 0.70 0.00 0.00 55.95 57.67 2qgb s SER 115 Cb 0.26 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 65.28 2qgb s SER 115 CO 0.05 -0.42 0.21 -0.72 1.20 0.00 0.00 173.24 173.56 2qgb s TYR 116 N -0.68 0.10 0.13 3.44 -0.85 -1.26 -0.56 117.35 117.67 2qgb s TYR 116 Ca -0.05 -0.48 0.06 0.00 -0.52 0.00 0.00 57.07 56.08 2qgb s TYR 116 Cb -0.02 -0.03 -0.04 0.00 0.38 0.00 0.00 41.96 42.25 2qgb s TYR 116 CO 0.04 -0.53 -0.13 -1.54 -1.52 0.00 0.00 175.55 171.87 2qgb s SER 117 N -2.68 2.01 0.01 -0.18 1.04 -0.76 -4.98 113.70 108.15 2qgb s SER 117 Ca 0.03 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.60 2qgb s SER 117 Cb 0.03 -0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.08 2qgb s SER 117 CO -0.09 -0.18 -0.02 0.28 0.98 0.00 0.00 173.24 174.21 2qgb s THR 118 N -2.39 0.11 0.03 2.02 -1.32 -1.26 -0.90 115.64 111.93 2qgb s THR 118 Ca 0.11 -0.37 0.02 0.00 -1.21 0.00 0.00 61.69 60.24 2qgb s THR 118 Cb -0.03 -0.16 -0.02 0.00 -1.51 0.00 0.00 72.50 70.78 2qgb s THR 118 CO 0.03 -0.17 -0.06 -0.89 -2.21 0.00 0.00 174.62 171.32 2qgb s THR 119 N -0.55 0.44 -0.11 5.08 2.01 -0.43 -5.00 115.64 117.09 2qgb s THR 119 Ca -0.05 -0.90 -0.02 0.00 0.31 0.00 0.00 61.69 61.03 2qgb s THR 119 Cb -0.04 -0.50 -0.03 0.00 0.01 0.00 0.00 72.50 71.94 2qgb s THR 119 CO -0.00 -0.32 -0.03 0.00 -0.69 0.00 0.00 174.62 173.58 2qgb s ALA 120 N -1.18 3.10 -0.20 7.40 0.00 -1.26 -1.12 121.76 128.50 2qgb s ALA 120 Ca -0.09 -0.83 -0.01 0.00 0.00 0.00 0.00 51.96 51.02 2qgb s ALA 120 Cb -0.09 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.59 2qgb s ALA 120 CO 0.00 0.43 -0.12 0.08 0.00 0.00 0.00 175.76 176.15 2qgb s VAL 121 N -0.35 2.75 -0.15 0.00 1.01 -0.25 -4.99 120.40 118.43 2qgb s VAL 121 Ca 0.06 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.36 2qgb s VAL 121 Cb -0.12 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 34.05 2qgb s VAL 121 CO 0.02 0.48 -0.21 -0.69 0.00 0.00 0.00 175.10 174.71 2qgb s VAL 122 N 1.35 2.17 0.11 2.92 1.01 -1.26 -0.81 120.40 125.90 2qgb s VAL 122 Ca 0.05 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.16 2qgb s VAL 122 Cb -0.14 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 2qgb s VAL 122 CO -0.07 0.54 -0.19 0.42 0.00 0.00 0.00 175.10 175.80 2qgb s THR 123 N 0.84 1.59 -0.29 3.92 -4.23 -0.13 -4.97 115.64 112.37 2qgb s THR 123 Ca -0.06 -1.56 -0.09 0.00 -1.18 0.00 0.00 61.69 58.79 2qgb s THR 123 Cb -0.15 -1.51 -0.02 0.00 1.34 0.00 0.00 72.50 72.16 2qgb s THR 123 CO -0.02 -0.15 0.14 0.21 -0.54 0.00 0.00 174.62 174.26 2qgb s ASN 124 N -2.02 5.53 0.00 3.99 3.84 -1.26 -0.92 114.94 124.10 2qgb s ASN 124 Ca 0.06 -0.37 0.15 0.00 0.21 0.00 0.00 52.86 52.91 2qgb s ASN 124 Cb -0.09 -2.00 0.87 0.00 -0.55 0.00 0.00 41.25 39.47 2qgb s ASN 124 CO 0.04 -0.13 1.29 -0.81 -2.79 0.00 0.00 177.10 174.69