#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qn0 n ASP 2 N 0.00 -8.77 -4.62 6.55 2.03 -1.26 -4.70 116.55 105.78 1qn0 n ASP 2 Ca 0.00 1.34 -0.49 0.00 0.52 0.00 0.00 54.79 56.16 1qn0 n ASP 2 Cb 0.00 -4.96 -0.05 0.00 -0.72 0.00 0.00 41.12 35.39 1qn0 n ASP 2 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1qn0 n VAL 3 N 1.86 0.45 -0.95 5.18 3.14 -1.26 -4.88 118.33 121.87 1qn0 n VAL 3 Ca 0.00 -0.19 -0.37 0.00 -2.96 0.00 0.00 64.34 60.83 1qn0 n VAL 3 Cb 0.00 -1.89 0.05 0.00 -1.06 0.00 0.00 33.84 30.95 1qn0 n VAL 3 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1qn0 n PRO 4 N 7.24 -0.18 -2.14 1.45 -0.02 -1.26 -4.85 135.00 135.24 1qn0 n PRO 4 Ca 0.28 -0.05 -0.36 0.00 -2.02 0.00 0.00 63.50 61.36 1qn0 n PRO 4 Cb 0.29 -1.13 0.02 0.00 -0.02 0.00 0.00 33.50 32.65 1qn0 n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qn0 s ALA 5 N -2.05 2.67 1.06 3.55 0.00 -1.26 -4.77 121.76 120.95 1qn0 s ALA 5 Ca 0.41 0.93 -0.16 0.00 0.00 0.00 0.00 51.96 53.14 1qn0 s ALA 5 Cb -0.05 -3.41 0.23 0.00 0.00 0.00 0.00 23.12 19.89 1qn0 s ALA 5 CO 0.73 -0.94 1.19 -0.40 0.00 0.00 0.00 175.76 176.34 1qn0 n ASP 6 N -1.33 -0.42 -2.09 0.00 5.75 -1.26 -4.45 116.55 112.76 1qn0 n ASP 6 Ca 0.12 -1.37 -0.12 0.00 -0.01 0.00 0.00 54.79 53.40 1qn0 n ASP 6 Cb 0.50 -0.95 0.04 0.00 -1.03 0.00 0.00 41.12 39.68 1qn0 n ASP 6 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qn0 n GLY 7 N -3.42 0.17 3.58 6.12 0.00 -0.55 -4.94 105.19 106.14 1qn0 n GLY 7 Ca 0.15 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 1qn0 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qn0 s ALA 8 N -3.15 3.36 0.41 4.61 0.00 0.18 -4.84 121.76 122.33 1qn0 s ALA 8 Ca 0.30 -0.72 -0.25 0.00 0.00 0.00 0.00 51.96 51.30 1qn0 s ALA 8 Cb -0.13 -3.47 -0.08 0.00 0.00 0.00 0.00 23.12 19.43 1qn0 s ALA 8 CO 0.37 -1.71 1.15 -1.59 0.00 0.00 0.00 175.76 173.98 1qn0 s LYS 9 N 3.34 4.01 -0.11 0.00 0.00 -1.26 -1.44 119.74 124.28 1qn0 s LYS 9 Ca 0.33 1.77 0.01 0.00 0.00 0.00 0.00 55.97 58.09 1qn0 s LYS 9 Cb -0.12 -2.60 0.02 0.00 0.00 0.00 0.00 37.83 35.13 1qn0 s LYS 9 CO 0.20 -0.34 -0.13 0.42 0.00 0.00 0.00 175.35 175.50 1qn0 s ILE 10 N -1.48 1.39 -0.39 3.79 1.01 0.88 -4.94 121.20 121.46 1qn0 s ILE 10 Ca 0.58 -0.56 0.07 0.00 0.00 0.00 0.00 60.65 60.75 1qn0 s ILE 10 Cb -0.29 -1.29 0.18 0.00 0.01 0.00 0.00 42.46 41.07 1qn0 s ILE 10 CO 0.36 0.42 0.60 -0.62 0.00 0.00 0.00 174.94 175.70 1qn0 s ASP 11 N 1.19 -1.32 -0.03 3.58 2.15 -1.26 -2.09 116.67 118.89 1qn0 s ASP 11 Ca -0.03 -0.71 0.04 0.00 0.43 0.00 0.00 52.55 52.28 1qn0 s ASP 11 Cb -0.14 1.86 -0.06 0.00 -0.30 0.00 0.00 42.92 44.28 1qn0 s ASP 11 CO -0.04 -0.20 0.04 0.49 -0.17 0.00 0.00 175.17 175.29 1qn0 n PHE 12 N 4.55 0.00 -3.46 -5.34 3.72 -1.26 -4.91 117.46 110.76 1qn0 n PHE 12 Ca 0.10 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.07 1qn0 n PHE 12 Cb 0.56 -0.16 -0.08 0.00 -0.94 0.00 0.00 39.48 38.86 1qn0 n PHE 12 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1qn0 s ILE 13 N -2.17 4.74 0.17 4.37 1.01 -1.26 -5.01 121.20 123.05 1qn0 s ILE 13 Ca -0.02 -1.43 -0.15 0.00 0.00 0.00 0.00 60.65 59.05 1qn0 s ILE 13 Cb 0.02 -3.97 -0.07 0.00 0.01 0.00 0.00 42.46 38.44 1qn0 s ILE 13 CO 0.17 -0.68 0.59 0.00 0.00 0.00 0.00 174.94 175.01 1qn0 s ALA 14 N 1.51 3.54 0.00 9.38 0.00 -1.26 -4.59 121.76 130.34 1qn0 s ALA 14 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1qn0 s ALA 14 Cb -0.26 -2.59 0.00 0.00 0.00 0.00 0.00 23.12 20.27 1qn0 s ALA 14 CO 0.03 0.43 0.00 0.41 0.00 0.00 0.00 175.76 176.62 1qn0 n GLY 15 N 0.76 -2.24 1.68 0.00 0.00 -1.25 -5.05 105.19 99.09 1qn0 n GLY 15 Ca -0.04 -1.31 0.08 0.00 0.00 0.00 0.00 46.02 44.75 1qn0 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qn0 n GLY 16 N -0.61 -2.01 0.62 -0.02 0.00 -1.26 -1.84 105.19 100.06 1qn0 n GLY 16 Ca 0.00 -1.34 0.46 0.00 0.00 0.00 0.00 46.02 45.14 1qn0 n GLY 16 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1qn0 h GLU 17 N 0.00 0.02 0.00 1.61 4.81 -2.05 -3.39 114.58 115.59 1qn0 h GLU 17 Ca 0.01 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1qn0 h GLU 17 Cb 0.52 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1qn0 h GLU 17 CO 0.00 0.01 0.00 0.36 -0.73 0.00 0.00 179.01 178.66 1qn0 n LYS 18 N -4.16 0.00 0.00 1.92 -0.00 -1.24 -5.16 118.16 109.52 1qn0 n LYS 18 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.70 1qn0 n LYS 18 Cb 1.71 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 36.74 1qn0 n LYS 18 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1qn0 n ASN 19 N -1.77 0.00 -4.73 -5.58 6.94 -0.77 -3.74 115.26 105.62 1qn0 n ASN 19 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 54.58 54.15 1qn0 n ASN 19 Cb 0.00 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.38 1qn0 n ASN 19 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1qn0 s LEU 20 N 0.00 4.44 -0.15 -4.53 1.43 -1.26 -4.99 118.68 113.61 1qn0 s LEU 20 Ca 0.00 2.08 0.01 0.00 -1.03 0.00 0.00 54.13 55.18 1qn0 s LEU 20 Cb 0.00 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.64 1qn0 s LEU 20 CO 0.00 -0.33 -0.16 -0.89 0.23 0.00 0.00 176.35 175.20 1qn0 s THR 21 N 0.24 1.70 0.06 5.49 2.01 -1.26 -4.81 115.64 119.07 1qn0 s THR 21 Ca 0.53 -0.72 0.01 0.00 0.31 0.00 0.00 61.69 61.82 1qn0 s THR 21 Cb -0.30 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.61 1qn0 s THR 21 CO 0.33 0.48 0.18 -0.69 -0.69 0.00 0.00 174.62 174.23 1qn0 s VAL 22 N 1.36 5.18 0.00 3.82 1.01 -0.89 -4.79 120.40 126.10 1qn0 s VAL 22 Ca 0.03 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.58 1qn0 s VAL 22 Cb -0.13 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 1qn0 s VAL 22 CO -0.10 0.15 -0.09 -0.69 0.00 0.00 0.00 175.10 174.37 1qn0 s VAL 23 N -1.47 3.47 0.03 2.92 1.01 -1.26 -0.08 120.40 125.02 1qn0 s VAL 23 Ca 0.33 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.51 1qn0 s VAL 23 Cb -0.13 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 1qn0 s VAL 23 CO 0.26 0.40 -0.09 0.12 0.00 0.00 0.00 175.10 175.79 1qn0 s PHE 24 N -0.96 0.79 -0.05 5.22 5.36 -0.52 -4.94 117.98 122.87 1qn0 s PHE 24 Ca 0.16 -0.37 -0.01 0.00 -0.96 0.00 0.00 56.93 55.75 1qn0 s PHE 24 Cb -0.11 -0.47 0.03 0.00 -0.34 0.00 0.00 43.02 42.13 1qn0 s PHE 24 CO 0.07 -0.03 0.01 0.54 -1.46 0.00 0.00 175.22 174.35 1qn0 s ASN 25 N -1.16 1.01 0.46 6.13 2.20 -1.26 0.51 114.94 122.84 1qn0 s ASN 25 Ca -0.04 -0.03 0.29 0.00 -0.94 0.00 0.00 52.86 52.14 1qn0 s ASN 25 Cb -0.08 -0.29 1.02 0.00 -2.00 0.00 0.00 41.25 39.90 1qn0 s ASN 25 CO 0.01 -0.16 1.84 0.45 -2.94 0.00 0.00 177.10 176.29 1qn0 h HIS 26 N 7.88 0.00 -0.20 1.54 3.86 -1.86 -2.27 115.15 124.10 1qn0 h HIS 26 Ca -0.28 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 1qn0 h HIS 26 Cb 1.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.60 1qn0 h HIS 26 CO 0.49 0.00 0.00 -1.13 0.86 0.00 0.00 177.93 178.15 1qn0 n SER 27 N -2.93 1.16 -0.09 2.45 3.41 -1.26 -2.89 113.62 113.47 1qn0 n SER 27 Ca 0.02 -2.01 -0.13 0.00 -0.26 0.00 0.00 58.87 56.49 1qn0 n SER 27 Cb 0.36 -0.16 -0.08 0.00 -0.26 0.00 0.00 64.21 64.07 1qn0 n SER 27 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1qn0 n THR 28 N 0.11 1.04 -1.04 6.66 -1.04 -0.85 -4.48 114.28 114.67 1qn0 n THR 28 Ca 0.07 -0.40 -0.02 0.00 -2.04 0.00 0.00 64.05 61.66 1qn0 n THR 28 Cb 0.19 -1.15 0.32 0.00 -1.82 0.00 0.00 70.33 67.87 1qn0 n THR 28 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1qn0 n HIS 29 N -3.04 2.19 0.32 -1.42 8.25 -1.23 -4.47 115.22 115.83 1qn0 n HIS 29 Ca -0.32 -1.11 0.18 0.00 -0.26 0.00 0.00 57.72 56.21 1qn0 n HIS 29 Cb 0.84 -0.62 0.97 0.00 1.12 0.00 0.00 29.99 32.30 1qn0 n HIS 29 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1qn0 h LYS 30 N 2.75 0.00 -0.01 -0.41 2.10 -1.75 1.73 116.57 120.97 1qn0 h LYS 30 Ca 0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.84 1qn0 h LYS 30 Cb 2.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.50 1qn0 h LYS 30 CO 0.63 0.00 -0.02 -3.47 -2.00 0.00 0.00 179.45 174.59 1qn0 n ASP 31 N -2.90 1.31 -4.47 7.07 2.03 -1.26 -4.79 116.55 113.54 1qn0 n ASP 31 Ca -0.02 -1.39 -0.33 0.00 0.52 0.00 0.00 54.79 53.56 1qn0 n ASP 31 Cb 0.22 0.01 -0.13 0.00 -0.72 0.00 0.00 41.12 40.50 1qn0 n ASP 31 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1qn0 s VAL 32 N -2.05 3.56 0.87 5.18 1.01 0.59 -5.09 120.40 124.46 1qn0 s VAL 32 Ca 0.38 -0.49 -0.14 0.00 0.00 0.00 0.00 61.98 61.73 1qn0 s VAL 32 Cb 0.21 -2.52 0.01 0.00 0.00 0.00 0.00 36.38 34.08 1qn0 s VAL 32 CO 0.35 0.52 0.44 0.29 0.00 0.00 0.00 175.10 176.70 1qn0 n LYS 33 N 3.29 -0.06 -0.02 2.72 4.76 -1.26 -4.88 118.16 122.71 1qn0 n LYS 33 Ca -0.18 0.03 -0.17 0.00 -2.87 0.00 0.00 58.31 55.12 1qn0 n LYS 33 Cb 0.53 -1.84 -0.08 0.00 -1.84 0.00 0.00 35.03 31.79 1qn0 n LYS 33 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1qn0 n ASP 35 N -4.05 0.00 0.27 0.00 5.68 -1.26 -0.32 116.55 116.86 1qn0 n ASP 35 Ca -0.08 0.46 0.18 0.00 -0.50 0.00 0.00 54.79 54.84 1qn0 n ASP 35 Cb 0.71 -0.48 0.85 0.00 -1.14 0.00 0.00 41.12 41.06 1qn0 n ASP 35 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 1qn0 h ASP 36 N 0.00 0.00 0.00 -1.12 1.82 -1.81 -3.34 116.42 111.97 1qn0 h ASP 36 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1qn0 h ASP 36 Cb 0.16 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.17 1qn0 h ASP 36 CO 0.00 0.00 -0.44 0.00 -1.61 0.00 0.00 179.24 177.19 1qn0 s HIS 38 N -1.92 2.44 -0.72 0.00 3.76 0.56 -4.79 115.29 114.63 1qn0 s HIS 38 Ca 0.00 -0.71 -0.01 0.00 -0.15 0.00 0.00 55.06 54.19 1qn0 s HIS 38 Cb 0.00 -4.58 0.41 0.00 1.11 0.00 0.00 32.58 29.52 1qn0 s HIS 38 CO 0.00 -1.85 1.95 -2.39 -0.85 0.00 0.00 174.74 171.60 1qn0 n HIS 39 N 9.81 3.11 -4.11 1.40 -0.00 -1.26 -4.18 115.22 119.99 1qn0 n HIS 39 Ca 0.38 -2.70 -0.31 0.00 -0.00 0.00 0.00 57.72 55.09 1qn0 n HIS 39 Cb 0.49 -1.23 -0.07 0.00 -0.00 0.00 0.00 29.99 29.18 1qn0 n HIS 39 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 1qn0 s GLN 40 N -3.91 2.81 0.53 -1.40 1.11 -1.25 -5.08 119.66 112.45 1qn0 s GLN 40 Ca 0.58 -0.69 -0.21 0.00 0.01 0.00 0.00 55.36 55.06 1qn0 s GLN 40 Cb 0.47 -2.69 -0.07 0.00 -1.01 0.00 0.00 33.01 29.71 1qn0 s GLN 40 CO -0.19 0.58 0.95 -0.35 0.01 0.00 0.00 175.29 176.29 1qn0 n PRO 41 N 0.73 1.06 -0.83 2.91 -0.04 -1.26 -4.23 135.00 133.33 1qn0 n PRO 41 Ca -0.11 0.40 -0.33 0.00 -0.04 0.00 0.00 63.50 63.42 1qn0 n PRO 41 Cb 0.52 -2.09 0.09 0.00 -0.04 0.00 0.00 33.50 31.98 1qn0 n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qn0 n GLY 42 N 1.28 -2.67 4.67 0.55 0.00 -1.26 -1.90 105.19 105.87 1qn0 n GLY 42 Ca 0.12 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1qn0 n GLY 42 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1qn0 n ASP 43 N 1.27 0.00 -0.81 1.61 -0.08 -1.26 -4.09 116.55 113.18 1qn0 n ASP 43 Ca -0.00 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.30 1qn0 n ASP 43 Cb 0.64 0.00 0.20 0.00 2.34 0.00 0.00 41.12 44.30 1qn0 n ASP 43 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1qn0 n LYS 44 N 0.00 1.78 -0.31 -0.67 5.02 -1.13 -4.77 118.16 118.08 1qn0 n LYS 44 Ca 0.00 -3.14 0.28 0.00 -2.02 0.00 0.00 58.31 53.44 1qn0 n LYS 44 Cb 0.00 -1.71 0.53 0.00 -0.02 0.00 0.00 35.03 33.82 1qn0 n LYS 44 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1qn0 n GLN 45 N -1.11 -0.06 -3.53 1.97 7.27 -0.80 -2.34 117.38 118.79 1qn0 n GLN 45 Ca 0.25 1.32 -0.41 0.00 0.07 0.00 0.00 57.00 58.23 1qn0 n GLN 45 Cb 0.85 -2.33 -0.06 0.00 2.41 0.00 0.00 30.24 31.11 1qn0 n GLN 45 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 1qn0 s TYR 46 N -5.49 3.64 0.27 3.69 2.02 -1.26 -3.97 117.35 116.26 1qn0 s TYR 46 Ca -0.09 -2.46 0.02 0.00 -0.37 0.00 0.00 57.07 54.16 1qn0 s TYR 46 Cb 0.32 -3.49 -0.01 0.00 -0.40 0.00 0.00 41.96 38.38 1qn0 s TYR 46 CO 0.74 -0.89 0.06 0.00 -1.57 0.00 0.00 175.55 173.88 1qn0 n ALA 47 N 3.50 0.33 -1.77 3.71 0.00 -0.99 -5.13 120.51 120.17 1qn0 n ALA 47 Ca 0.13 -1.33 -0.39 0.00 0.00 0.00 0.00 53.44 51.85 1qn0 n ALA 47 Cb 0.41 0.84 -0.03 0.00 0.00 0.00 0.00 19.45 20.67 1qn0 n ALA 47 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1qn0 s GLY 48 N -2.62 2.90 0.09 0.00 0.00 -1.26 -4.94 107.32 101.49 1qn0 s GLY 48 Ca 0.09 0.90 -0.04 0.00 0.00 0.00 0.00 44.72 45.67 1qn0 s GLY 48 CO 0.06 1.43 1.18 0.00 0.00 0.00 0.00 173.10 175.77 1qn0 n THR 50 N -3.58 1.31 -1.35 0.00 -2.24 -1.26 -1.46 114.28 105.70 1qn0 n THR 50 Ca -0.08 -0.66 -0.33 0.00 -2.27 0.00 0.00 64.05 60.71 1qn0 n THR 50 Cb 0.98 -0.40 0.09 0.00 -2.10 0.00 0.00 70.33 68.90 1qn0 n THR 50 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1qn0 s THR 51 N -1.83 2.75 0.73 4.28 2.01 -1.17 -3.61 115.64 118.80 1qn0 s THR 51 Ca 0.26 0.31 -0.16 0.00 0.31 0.00 0.00 61.69 62.41 1qn0 s THR 51 Cb 0.20 -2.74 0.00 0.00 0.01 0.00 0.00 72.50 69.96 1qn0 s THR 51 CO 0.07 -0.26 0.87 -0.67 -0.69 0.00 0.00 174.62 173.95 1qn0 n ASP 52 N -3.10 0.06 -0.89 3.53 2.03 -1.26 -1.22 116.55 115.70 1qn0 n ASP 52 Ca 0.11 0.64 -0.11 0.00 0.52 0.00 0.00 54.79 55.95 1qn0 n ASP 52 Cb 0.52 -1.36 -0.05 0.00 -0.72 0.00 0.00 41.12 39.51 1qn0 n ASP 52 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qn0 n GLY 53 N 1.20 1.03 0.00 0.27 0.00 -1.26 -4.82 105.19 101.60 1qn0 n GLY 53 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1qn0 n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qn0 n HIS 55 N 0.00 1.31 -1.73 0.00 8.25 -0.54 -4.65 115.22 117.86 1qn0 n HIS 55 Ca 0.00 -1.85 -0.41 0.00 -0.26 0.00 0.00 57.72 55.20 1qn0 n HIS 55 Cb 0.00 -1.12 -0.01 0.00 1.12 0.00 0.00 29.99 29.98 1qn0 n HIS 55 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1qn0 n ASN 56 N 0.79 5.44 -3.76 0.41 2.85 -1.20 -4.02 115.26 115.78 1qn0 n ASN 56 Ca 0.35 -2.83 -0.28 0.00 -0.11 0.00 0.00 54.58 51.71 1qn0 n ASN 56 Cb 0.59 -1.59 -0.16 0.00 1.24 0.00 0.00 39.78 39.86 1qn0 n ASN 56 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1qn0 s ILE 57 N 2.29 0.68 -1.98 -1.44 -1.09 -1.22 -4.96 121.20 113.48 1qn0 s ILE 57 Ca 0.52 -0.75 0.23 0.00 -2.23 0.00 0.00 60.65 58.42 1qn0 s ILE 57 Cb 0.15 -1.20 0.65 0.00 -1.58 0.00 0.00 42.46 40.48 1qn0 s ILE 57 CO -0.07 -0.26 1.54 0.18 -1.23 0.00 0.00 174.94 175.10 1qn0 n LEU 58 N 4.98 3.98 -3.98 2.97 4.77 -1.26 -3.76 117.00 124.71 1qn0 n LEU 58 Ca -0.08 -2.00 -0.43 0.00 -0.03 0.00 0.00 56.01 53.47 1qn0 n LEU 58 Cb 0.46 -0.50 0.01 0.00 -2.33 0.00 0.00 43.42 41.06 1qn0 n LEU 58 CO 0.13 0.99 1.13 -0.90 -1.33 0.00 0.00 177.39 177.42 1qn0 n ASP 59 N 1.67 6.43 -4.42 -1.43 5.68 -1.26 -4.92 116.55 118.30 1qn0 n ASP 59 Ca 0.25 -3.43 -0.46 0.00 -0.50 0.00 0.00 54.79 50.65 1qn0 n ASP 59 Cb 0.63 -1.26 -0.02 0.00 -1.14 0.00 0.00 41.12 39.33 1qn0 n ASP 59 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1qn0 n LYS 60 N 1.24 0.25 -1.91 0.11 2.85 -1.26 -3.18 118.16 116.27 1qn0 n LYS 60 Ca 0.27 0.09 0.00 0.00 -1.05 0.00 0.00 58.31 57.62 1qn0 n LYS 60 Cb 0.33 -1.17 0.00 0.00 -0.65 0.00 0.00 35.03 33.54 1qn0 n LYS 60 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1qn0 n ALA 61 N -0.21 0.00 -2.36 0.58 0.00 -1.26 -5.08 120.51 112.18 1qn0 n ALA 61 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.34 1qn0 n ALA 61 Cb 0.30 -0.47 -0.02 0.00 0.00 0.00 0.00 19.45 19.26 1qn0 n ALA 61 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1qn0 s ASP 62 N -2.87 4.70 -0.59 0.00 2.15 -1.19 -5.09 116.67 113.77 1qn0 s ASP 62 Ca 0.00 -1.12 0.04 0.00 0.43 0.00 0.00 52.55 51.91 1qn0 s ASP 62 Cb 0.00 0.10 0.16 0.00 -0.30 0.00 0.00 42.92 42.87 1qn0 s ASP 62 CO 0.00 -0.94 0.39 -0.75 -0.17 0.00 0.00 175.17 173.69 1qn0 s LYS 63 N -4.21 2.03 -0.18 4.34 2.20 -1.26 -5.02 119.74 117.64 1qn0 s LYS 63 Ca 0.38 -2.87 -0.35 0.00 -0.36 0.00 0.00 55.97 52.78 1qn0 s LYS 63 Cb -0.02 -3.04 0.14 0.00 -1.51 0.00 0.00 37.83 33.40 1qn0 s LYS 63 CO 0.23 -1.24 1.25 -1.54 -0.36 0.00 0.00 175.35 173.69 1qn0 s SER 64 N -0.78 -0.10 -0.27 1.43 1.04 -1.26 -5.01 113.70 108.74 1qn0 s SER 64 Ca 0.23 -0.02 -0.01 0.00 0.48 0.00 0.00 55.95 56.63 1qn0 s SER 64 Cb -0.11 0.12 0.20 0.00 0.10 0.00 0.00 66.02 66.33 1qn0 s SER 64 CO -0.11 -0.21 1.95 0.55 0.98 0.00 0.00 173.24 176.41 1qn0 n VAL 65 N -0.14 2.61 -0.75 5.02 3.14 -1.26 -3.32 118.33 123.62 1qn0 n VAL 65 Ca -0.00 -1.45 0.00 0.00 -2.96 0.00 0.00 64.34 59.93 1qn0 n VAL 65 Cb 0.59 -1.30 0.00 0.00 -1.06 0.00 0.00 33.84 32.07 1qn0 n VAL 65 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1qn0 n ASN 66 N 0.41 0.58 -4.73 6.55 4.13 -1.26 -4.83 115.26 116.12 1qn0 n ASN 66 Ca 0.26 -1.33 -0.41 0.00 1.68 0.00 0.00 54.58 54.78 1qn0 n ASN 66 Cb 0.61 -0.01 -0.04 0.00 -1.54 0.00 0.00 39.78 38.80 1qn0 n ASN 66 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1qn0 s SER 67 N -0.34 7.37 -0.06 6.41 1.04 -1.21 -3.40 113.70 123.50 1qn0 s SER 67 Ca 0.00 1.90 0.13 0.00 0.48 0.00 0.00 55.95 58.46 1qn0 s SER 67 Cb 0.00 -2.59 0.48 0.00 0.10 0.00 0.00 66.02 64.01 1qn0 s SER 67 CO 0.00 -0.17 1.35 1.87 0.98 0.00 0.00 173.24 177.26 1qn0 n TRP 68 N 2.87 0.95 0.00 5.02 -0.00 -1.25 -3.35 117.44 121.69 1qn0 n TRP 68 Ca 0.03 -0.39 0.00 0.00 -0.00 0.00 0.00 57.50 57.15 1qn0 n TRP 68 Cb 0.48 -0.15 0.00 0.00 -0.00 0.00 0.00 31.31 31.64 1qn0 n TRP 68 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 177.69 178.67 1qn0 n TYR 69 N 0.72 0.00 -0.13 5.87 4.19 -1.26 -4.58 117.16 121.98 1qn0 n TYR 69 Ca 0.17 0.00 -0.24 0.00 3.31 0.00 0.00 57.90 61.15 1qn0 n TYR 69 Cb 0.60 0.00 -0.11 0.00 0.49 0.00 0.00 39.34 40.32 1qn0 n TYR 69 CO 0.00 0.00 0.00 1.17 0.91 0.00 0.00 176.86 178.94 1qn0 n LYS 70 N -0.98 0.63 0.00 2.98 4.81 -1.23 -2.83 118.16 121.54 1qn0 n LYS 70 Ca 0.00 0.22 0.03 0.00 -0.87 0.00 0.00 58.31 57.69 1qn0 n LYS 70 Cb 0.00 -1.53 0.13 0.00 0.02 0.00 0.00 35.03 33.65 1qn0 n LYS 70 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1qn0 n VAL 71 N -3.75 1.28 -0.10 3.15 0.24 -1.21 0.20 118.33 118.13 1qn0 n VAL 71 Ca -0.48 0.32 -0.19 0.00 -2.04 0.00 0.00 64.34 61.94 1qn0 n VAL 71 Cb 0.94 -1.22 -0.08 0.00 -1.47 0.00 0.00 33.84 32.00 1qn0 n VAL 71 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1qn0 n VAL 72 N -1.39 1.17 -1.27 3.34 0.31 -1.26 -4.31 118.33 114.92 1qn0 n VAL 72 Ca 0.02 -0.36 -0.20 0.00 -0.01 0.00 0.00 64.34 63.80 1qn0 n VAL 72 Cb 0.06 -1.55 0.19 0.00 -0.91 0.00 0.00 33.84 31.62 1qn0 n VAL 72 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1qn0 n HIS 73 N -3.60 2.69 -2.90 3.52 8.25 -0.85 -3.81 115.22 118.51 1qn0 n HIS 73 Ca -0.40 -1.78 -0.43 0.00 -0.26 0.00 0.00 57.72 54.85 1qn0 n HIS 73 Cb 0.83 -0.86 -0.05 0.00 1.12 0.00 0.00 29.99 31.04 1qn0 n HIS 73 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1qn0 s ASP 74 N -1.52 6.37 0.13 0.41 1.01 0.55 -4.86 116.67 118.75 1qn0 s ASP 74 Ca 0.55 -0.28 0.11 0.00 0.71 0.00 0.00 52.55 53.63 1qn0 s ASP 74 Cb 0.47 -2.41 -0.14 0.00 1.01 0.00 0.00 42.92 41.84 1qn0 s ASP 74 CO 0.09 -1.09 1.18 0.00 0.21 0.00 0.00 175.17 175.56 1qn0 h ALA 75 N 9.16 0.52 -2.69 5.23 0.00 -1.91 -3.37 119.26 126.20 1qn0 h ALA 75 Ca -0.26 -0.89 -0.51 0.00 0.00 0.00 0.00 54.91 53.26 1qn0 h ALA 75 Cb 1.08 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.94 1qn0 h ALA 75 CO 1.03 1.13 0.48 0.21 0.00 0.00 0.00 179.25 182.10 1qn0 s LYS 76 N -2.77 3.74 0.00 0.00 2.47 -1.26 -4.77 119.74 117.15 1qn0 s LYS 76 Ca 0.00 1.77 0.00 0.00 -1.56 0.00 0.00 55.97 56.19 1qn0 s LYS 76 Cb 0.09 -2.39 0.00 0.00 -1.46 0.00 0.00 37.83 34.06 1qn0 s LYS 76 CO 0.80 -0.57 0.00 0.41 0.16 0.00 0.00 175.35 176.16 1qn0 n GLY 77 N 0.44 -1.74 0.00 5.54 0.00 -1.26 -4.89 105.19 103.28 1qn0 n GLY 77 Ca 0.07 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1qn0 n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qn0 n GLY 78 N 1.86 0.51 0.41 -0.02 0.00 -1.26 -4.83 105.19 101.86 1qn0 n GLY 78 Ca 0.00 -1.77 0.20 0.00 0.00 0.00 0.00 46.02 44.44 1qn0 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qn0 h ALA 79 N 0.00 2.20 -2.91 4.61 0.00 -2.07 -3.40 119.26 117.68 1qn0 h ALA 79 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1qn0 h ALA 79 Cb 0.00 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 17.70 1qn0 h ALA 79 CO 0.00 -0.94 0.10 -1.59 0.00 0.00 0.00 179.25 176.82 1qn0 s LYS 80 N -4.40 1.22 0.02 0.00 -2.85 -1.26 -5.18 119.74 107.28 1qn0 s LYS 80 Ca -0.03 -0.58 -0.00 0.00 -1.00 0.00 0.00 55.97 54.36 1qn0 s LYS 80 Cb 0.12 0.55 0.00 0.00 -2.06 0.00 0.00 37.83 36.44 1qn0 s LYS 80 CO 0.42 -0.51 0.02 -0.35 0.10 0.00 0.00 175.35 175.02 1qn0 n PRO 81 N -0.33 -0.24 -1.09 1.78 -0.04 -1.26 -4.87 135.00 128.95 1qn0 n PRO 81 Ca -0.16 -0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 1qn0 n PRO 81 Cb 0.64 -0.02 0.00 0.00 -0.04 0.00 0.00 33.50 34.08 1qn0 n PRO 81 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1qn0 n THR 82 N -2.14 0.00 1.46 0.52 -2.24 -1.26 -4.95 114.28 105.66 1qn0 n THR 82 Ca 0.00 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.92 1qn0 n THR 82 Cb 0.01 0.00 0.75 0.00 -2.10 0.00 0.00 70.33 68.99 1qn0 n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qn0 n ILE 84 N -1.22 0.62 0.15 0.00 2.08 -1.25 -4.04 119.36 115.70 1qn0 n ILE 84 Ca 0.15 -0.21 -0.13 0.00 0.56 0.00 0.00 62.75 63.12 1qn0 n ILE 84 Cb 0.19 -1.15 -0.08 0.00 -0.75 0.00 0.00 39.64 37.85 1qn0 n ILE 84 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 1qn0 h SER 85 N -0.15 -1.16 0.59 4.38 0.87 -1.72 1.73 113.55 118.09 1qn0 h SER 85 Ca -0.26 0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.38 1qn0 h SER 85 Cb 1.33 0.41 0.01 0.00 -0.44 0.00 0.00 62.40 63.71 1qn0 h SER 85 CO -0.09 -0.47 -0.29 0.00 -0.53 0.00 0.00 176.83 175.45 1qn0 h HIS 87 N -0.80 0.84 -0.39 0.00 -0.00 -1.66 0.75 115.15 113.88 1qn0 h HIS 87 Ca -0.08 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.32 1qn0 h HIS 87 Cb 0.61 -0.23 -0.02 0.00 -0.00 0.00 0.00 27.41 27.77 1qn0 h HIS 87 CO -0.03 -0.02 0.25 0.87 -0.00 0.00 0.00 177.93 178.99 1qn0 h LYS 88 N 0.41 0.52 -0.95 2.45 1.57 0.34 -0.15 116.57 120.76 1qn0 h LYS 88 Ca 0.67 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 59.48 1qn0 h LYS 88 Cb 1.55 -0.11 -0.07 0.00 0.08 0.00 0.00 32.23 33.68 1qn0 h LYS 88 CO -0.44 0.36 0.60 0.22 -0.57 0.00 0.00 179.45 179.62 1qn0 h ASP 89 N 0.52 0.95 -0.71 0.86 1.82 0.12 0.29 116.42 120.27 1qn0 h ASP 89 Ca 0.14 0.02 -0.04 0.00 -0.39 0.00 0.00 57.03 56.76 1qn0 h ASP 89 Cb -0.03 -0.18 -0.03 0.00 0.68 0.00 0.00 39.33 39.77 1qn0 h ASP 89 CO -0.03 0.59 0.28 0.11 -1.61 0.00 0.00 179.24 178.58 1qn0 h LYS 90 N 1.08 1.07 0.00 0.28 1.79 -0.38 -3.33 116.57 117.09 1qn0 h LYS 90 Ca 0.42 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 1qn0 h LYS 90 Cb 0.22 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 1qn0 h LYS 90 CO -0.19 0.89 0.00 0.00 -1.08 0.00 0.00 179.45 179.07 1qn0 n ALA 91 N -2.41 -0.00 -0.34 3.86 0.00 -0.15 -4.91 120.51 116.56 1qn0 n ALA 91 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1qn0 n ALA 91 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 1qn0 n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qn0 n GLY 92 N 0.86 2.94 0.15 0.00 0.00 0.85 -2.75 105.19 107.23 1qn0 n GLY 92 Ca 0.00 -0.26 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 1qn0 n GLY 92 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1qn0 h ASP 93 N 0.00 0.75 -1.20 1.61 3.04 -1.91 -3.43 116.42 115.28 1qn0 h ASP 93 Ca 0.00 -0.76 -0.48 0.00 -3.24 0.00 0.00 57.03 52.55 1qn0 h ASP 93 Cb 0.00 -0.24 -0.02 0.00 -1.04 0.00 0.00 39.33 38.03 1qn0 h ASP 93 CO 0.00 1.58 1.66 -0.67 -2.04 0.00 0.00 179.24 179.77 1qn0 n ASP 94 N -3.70 1.83 0.08 4.15 -0.08 -1.11 -4.75 116.55 112.98 1qn0 n ASP 94 Ca -0.13 -0.30 -0.03 0.00 -1.51 0.00 0.00 54.79 52.82 1qn0 n ASP 94 Cb 1.04 -1.41 0.19 0.00 2.34 0.00 0.00 41.12 43.27 1qn0 n ASP 94 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1qn0 h LYS 95 N 17.42 0.26 0.00 -0.67 1.57 -1.87 -1.40 116.57 131.89 1qn0 h LYS 95 Ca -0.20 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.42 1qn0 h LYS 95 Cb 1.28 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.59 1qn0 h LYS 95 CO 1.21 0.67 -0.13 1.49 -0.57 0.00 0.00 179.45 182.12 1qn0 h GLU 96 N 0.22 0.00 0.01 3.15 4.57 -1.96 -2.04 114.58 118.53 1qn0 h GLU 96 Ca 0.01 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 57.91 1qn0 h GLU 96 Cb 0.89 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.44 1qn0 h GLU 96 CO 0.07 0.13 -1.59 1.25 -1.18 0.00 0.00 179.01 177.69 1qn0 h LEU 97 N 0.00 0.04 0.00 1.64 7.12 -1.76 -3.26 115.31 119.10 1qn0 h LEU 97 Ca -0.00 -0.08 0.00 0.00 0.13 0.00 0.00 57.88 57.93 1qn0 h LEU 97 Cb 0.42 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.54 1qn0 h LEU 97 CO 0.02 1.07 0.00 1.17 -0.13 0.00 0.00 178.44 180.56 1qn0 n LYS 98 N -3.14 0.96 -2.24 1.25 4.81 -0.58 -3.02 118.16 116.20 1qn0 n LYS 98 Ca -0.15 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.04 1qn0 n LYS 98 Cb 1.03 -1.10 0.01 0.00 0.02 0.00 0.00 35.03 34.99 1qn0 n LYS 98 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1qn0 n LYS 99 N -0.60 3.50 0.00 1.64 4.76 -0.96 -3.21 118.16 123.29 1qn0 n LYS 99 Ca 0.05 -4.31 0.00 0.00 -2.87 0.00 0.00 58.31 51.18 1qn0 n LYS 99 Cb 0.02 -2.25 0.00 0.00 -1.84 0.00 0.00 35.03 30.96 1qn0 n LYS 99 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1qn0 n LYS 100 N -0.60 0.00 0.00 1.97 2.85 -1.20 -4.68 118.16 116.50 1qn0 n LYS 100 Ca 0.41 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.59 1qn0 n LYS 100 Cb 0.83 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 35.08 1qn0 n LYS 100 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 1qn0 h LEU 101 N 0.00 0.00 -1.77 -5.58 3.38 -1.81 -0.63 115.31 108.90 1qn0 h LEU 101 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qn0 h LEU 101 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1qn0 h LEU 101 CO 0.00 0.98 0.00 0.35 0.09 0.00 0.00 178.44 179.86 1qn0 n THR 102 N -3.11 0.41 -1.69 0.22 -2.24 -1.26 -4.85 114.28 101.76 1qn0 n THR 102 Ca -0.12 -0.65 -0.44 0.00 -2.27 0.00 0.00 64.05 60.57 1qn0 n THR 102 Cb 1.01 0.85 -0.03 0.00 -2.10 0.00 0.00 70.33 70.06 1qn0 n THR 102 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qn0 n GLY 103 N -0.21 1.48 0.14 3.38 0.00 -1.20 -4.89 105.19 103.90 1qn0 n GLY 103 Ca 0.00 0.68 -0.11 0.00 0.00 0.00 0.00 46.02 46.59 1qn0 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qn0 s LYS 105 N -3.66 2.72 -0.17 0.00 -2.85 -1.26 -4.70 119.74 109.82 1qn0 s LYS 105 Ca -0.13 -0.82 -0.01 0.00 -1.00 0.00 0.00 55.97 54.01 1qn0 s LYS 105 Cb 0.01 -2.13 0.00 0.00 -2.06 0.00 0.00 37.83 33.65 1qn0 s LYS 105 CO 0.49 0.21 0.14 0.41 0.10 0.00 0.00 175.35 176.71 1qn0 n GLY 106 N 3.40 0.56 3.80 0.59 0.00 -0.36 -5.04 105.19 108.15 1qn0 n GLY 106 Ca -0.19 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 1qn0 n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qn0 s SER 107 N -3.10 4.33 0.00 1.61 1.04 -0.35 -4.76 113.70 112.47 1qn0 s SER 107 Ca 0.04 -1.43 0.15 0.00 0.48 0.00 0.00 55.95 55.20 1qn0 s SER 107 Cb -0.02 0.31 0.72 0.00 0.10 0.00 0.00 66.02 67.13 1qn0 s SER 107 CO 0.09 -0.88 1.46 0.00 0.98 0.00 0.00 173.24 174.89 1qn0 n ALA 108 N -1.42 1.79 -0.12 5.32 0.00 -0.24 -2.44 120.51 123.39 1qn0 n ALA 108 Ca -0.10 -0.06 -0.22 0.00 0.00 0.00 0.00 53.44 53.06 1qn0 n ALA 108 Cb 0.66 -1.25 -0.09 0.00 0.00 0.00 0.00 19.45 18.77 1qn0 n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qn0 s HIS 110 N -2.44 3.53 -1.22 0.00 4.02 -1.08 -4.30 115.29 113.79 1qn0 s HIS 110 Ca -0.32 -3.18 -0.10 0.00 1.02 0.00 0.00 55.06 52.48 1qn0 s HIS 110 Cb 0.11 -2.89 0.20 0.00 -1.02 0.00 0.00 32.58 28.98 1qn0 s HIS 110 CO 0.46 -0.66 1.65 -0.35 1.02 0.00 0.00 174.74 176.86 1qn0 n PRO 111 N 2.45 3.67 0.00 8.40 -0.04 -1.02 -1.21 135.00 147.25 1qn0 n PRO 111 Ca 0.15 -3.82 0.00 0.00 -0.04 0.00 0.00 63.50 59.79 1qn0 n PRO 111 Cb 0.35 -2.87 0.00 0.00 -0.04 0.00 0.00 33.50 30.93 1qn0 n PRO 111 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89