#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 -8.22 -4.68 6.55 9.92 -1.26 -4.72 116.55 114.14 1qn0 n ASP 2 Ca 0.00 1.77 -0.49 0.00 -0.53 0.00 0.00 54.79 55.54 1qn0 n ASP 2 Cb 0.00 -4.86 -0.05 0.00 -0.64 0.00 0.00 41.12 35.58 1qn0 n ASP 2 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 1qn0 n VAL 3 N 1.87 0.51 -0.99 2.53 3.14 -1.26 -4.88 118.33 119.25 1qn0 n VAL 3 Ca -0.02 -0.09 -0.37 0.00 -2.96 0.00 0.00 64.34 60.90 1qn0 n VAL 3 Cb 0.03 -1.79 0.04 0.00 -1.06 0.00 0.00 33.84 31.06 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 6.26 -0.03 -2.97 1.45 -0.02 -1.26 -4.92 135.00 133.51 1qn0 n PRO 4 Ca 0.22 -0.01 -0.31 0.00 -2.02 0.00 0.00 63.50 61.39 1qn0 n PRO 4 Cb 0.28 -1.03 -0.04 0.00 -0.02 0.00 0.00 33.50 32.69 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 -2.01 3.36 0.77 3.55 0.00 -1.26 -4.73 121.76 121.43 1qn0 s ALA 5 Ca 0.39 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.20 1qn0 s ALA 5 Cb -0.09 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.33 1qn0 s ALA 5 CO 0.77 0.11 0.00 -0.40 0.00 0.00 0.00 175.76 176.24 1qn0 n ASP 6 N -0.99 -1.16 -1.48 0.00 5.75 -1.26 -4.42 116.55 112.99 1qn0 n ASP 6 Ca 0.02 0.00 -0.10 0.00 -0.01 0.00 0.00 54.79 54.70 1qn0 n ASP 6 Cb 0.54 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.64 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 0.00 0.11 3.78 6.12 0.00 -1.24 -5.01 105.19 108.96 1qn0 n GLY 7 Ca 0.00 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.79 3.57 -0.07 4.61 0.00 -0.99 -4.96 121.76 121.12 1qn0 s ALA 8 Ca 0.13 -0.14 0.03 0.00 0.00 0.00 0.00 51.96 51.98 1qn0 s ALA 8 Cb -0.06 -2.57 -0.02 0.00 0.00 0.00 0.00 23.12 20.48 1qn0 s ALA 8 CO 0.16 0.25 -0.16 0.15 0.00 0.00 0.00 175.76 176.15 1qn0 s LYS 9 N -0.32 2.75 -0.17 0.00 1.02 -1.26 -0.08 119.74 121.68 1qn0 s LYS 9 Ca 0.26 -0.73 -0.01 0.00 0.02 0.00 0.00 55.97 55.51 1qn0 s LYS 9 Cb -0.17 -2.40 -0.00 0.00 -0.52 0.00 0.00 37.83 34.74 1qn0 s LYS 9 CO 0.13 0.47 -0.13 0.42 -0.92 0.00 0.00 175.35 175.32 1qn0 s ILE 10 N -0.33 2.83 -0.38 2.17 1.01 0.12 -4.97 121.20 121.66 1qn0 s ILE 10 Ca 0.03 -0.71 0.07 0.00 0.00 0.00 0.00 60.65 60.04 1qn0 s ILE 10 Cb -0.13 -2.21 0.19 0.00 0.01 0.00 0.00 42.46 40.32 1qn0 s ILE 10 CO 0.02 0.50 0.63 -0.62 0.00 0.00 0.00 174.94 175.48 1qn0 s ASP 11 N 0.91 -1.53 -0.03 3.58 2.15 -1.26 -1.93 116.67 118.56 1qn0 s ASP 11 Ca -0.03 -0.53 0.03 0.00 0.43 0.00 0.00 52.55 52.46 1qn0 s ASP 11 Cb -0.15 1.95 -0.05 0.00 -0.30 0.00 0.00 42.92 44.37 1qn0 s ASP 11 CO -0.01 -0.20 0.03 0.49 -0.17 0.00 0.00 175.17 175.31 1qn0 n PHE 12 N 4.65 0.00 -3.16 -5.34 3.72 -1.26 -4.91 117.46 111.16 1qn0 n PHE 12 Ca 0.09 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 57.05 1qn0 n PHE 12 Cb 0.56 -0.16 -0.05 0.00 -0.94 0.00 0.00 39.48 38.89 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 -2.13 4.89 -0.95 4.37 1.01 -1.26 -4.98 121.20 122.15 1qn0 s ILE 13 Ca -0.02 -0.89 -0.24 0.00 0.00 0.00 0.00 60.65 59.50 1qn0 s ILE 13 Cb 0.01 -4.40 -0.00 0.00 0.01 0.00 0.00 42.46 38.08 1qn0 s ILE 13 CO 0.15 -0.98 1.71 0.00 0.00 0.00 0.00 174.94 175.83 1qn0 s ALA 14 N 2.52 2.16 -0.06 9.38 0.00 -1.26 -4.63 121.76 129.86 1qn0 s ALA 14 Ca 0.11 -1.83 -0.32 0.00 0.00 0.00 0.00 51.96 49.93 1qn0 s ALA 14 Cb -0.23 -4.54 0.14 0.00 0.00 0.00 0.00 23.12 18.49 1qn0 s ALA 14 CO 0.08 -4.24 1.38 0.20 0.00 0.00 0.00 175.76 173.17 1qn0 s GLY 15 N 6.59 -0.45 0.00 0.00 0.00 -1.26 -5.00 107.32 107.20 1qn0 s GLY 15 Ca 0.59 0.82 0.00 0.00 0.00 0.00 0.00 44.72 46.12 1qn0 s GLY 15 CO -0.04 0.44 0.00 0.61 0.00 0.00 0.00 173.10 174.11 1qn0 n GLY 16 N -0.52 -0.12 5.00 0.20 0.00 -1.26 -3.40 105.19 105.09 1qn0 n GLY 16 Ca -0.09 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1qn0 n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qn0 n GLU 17 N -0.36 0.00 0.04 1.61 4.71 -1.26 -2.73 120.64 122.65 1qn0 n GLU 17 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1qn0 n GLU 17 Cb 0.05 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.48 1qn0 n GLU 17 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 1qn0 n LYS 18 N 0.00 0.00 0.00 3.49 2.85 -1.26 -5.11 118.16 118.12 1qn0 n LYS 18 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1qn0 n LYS 18 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1qn0 n LYS 18 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1qn0 n ASN 19 N -2.66 0.00 -4.59 -5.58 6.94 -1.11 -4.00 115.26 104.27 1qn0 n ASN 19 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 54.58 54.14 1qn0 n ASN 19 Cb 0.00 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.40 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 3.51 -0.39 -4.53 1.43 -1.22 -4.97 118.68 112.51 1qn0 s LEU 20 Ca 0.00 0.67 -0.16 0.00 -1.03 0.00 0.00 54.13 53.61 1qn0 s LEU 20 Cb 0.00 -3.35 0.01 0.00 0.03 0.00 0.00 46.19 42.88 1qn0 s LEU 20 CO 0.00 -1.58 0.37 -0.89 0.23 0.00 0.00 176.35 174.48 1qn0 s THR 21 N 5.89 5.16 -0.16 5.49 2.01 -1.26 -4.69 115.64 128.08 1qn0 s THR 21 Ca 0.60 -0.32 -0.13 0.00 0.31 0.00 0.00 61.69 62.15 1qn0 s THR 21 Cb -0.13 -3.94 -0.05 0.00 0.01 0.00 0.00 72.50 68.39 1qn0 s THR 21 CO 0.30 -0.29 0.26 -0.69 -0.69 0.00 0.00 174.62 173.51 1qn0 s VAL 22 N 1.97 5.32 0.01 3.82 1.01 -0.81 -4.87 120.40 126.86 1qn0 s VAL 22 Ca 0.10 0.48 -0.13 0.00 0.00 0.00 0.00 61.98 62.43 1qn0 s VAL 22 Cb -0.17 -3.60 -0.06 0.00 0.00 0.00 0.00 36.38 32.55 1qn0 s VAL 22 CO 0.12 0.42 0.39 -0.69 0.00 0.00 0.00 175.10 175.34 1qn0 s VAL 23 N 0.30 5.08 0.14 2.92 1.01 -1.26 0.13 120.40 128.72 1qn0 s VAL 23 Ca 0.15 0.70 0.04 0.00 0.00 0.00 0.00 61.98 62.88 1qn0 s VAL 23 Cb -0.13 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1qn0 s VAL 23 CO 0.03 0.51 -0.10 0.12 0.00 0.00 0.00 175.10 175.67 1qn0 s PHE 24 N -1.15 1.23 -0.07 5.22 5.36 0.89 -4.95 117.98 124.51 1qn0 s PHE 24 Ca 0.25 -0.76 -0.03 0.00 -0.96 0.00 0.00 56.93 55.44 1qn0 s PHE 24 Cb -0.16 -0.63 0.04 0.00 -0.34 0.00 0.00 43.02 41.93 1qn0 s PHE 24 CO 0.14 0.06 0.13 -0.80 -1.46 0.00 0.00 175.22 173.29 1qn0 s ASN 25 N -3.10 0.30 0.31 6.13 -0.87 -1.26 -2.35 114.94 114.10 1qn0 s ASN 25 Ca 0.15 0.27 0.26 0.00 -1.57 0.00 0.00 52.86 51.98 1qn0 s ASN 25 Cb 0.02 0.17 0.87 0.00 -0.02 0.00 0.00 41.25 42.29 1qn0 s ASN 25 CO 0.00 -0.19 1.76 0.45 -2.57 0.00 0.00 177.10 176.55 1qn0 h HIS 26 N 7.73 0.00 -0.34 2.20 3.86 -1.88 -2.61 115.15 124.11 1qn0 h HIS 26 Ca -0.31 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.90 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 0.44 0.00 0.00 -1.13 0.86 0.00 0.00 177.93 178.10 1qn0 n SER 27 N -2.51 2.84 -0.03 2.45 3.41 -1.26 -3.25 113.62 115.26 1qn0 n SER 27 Ca 0.04 -2.26 -0.03 0.00 -0.26 0.00 0.00 58.87 56.35 1qn0 n SER 27 Cb 0.37 -0.44 -0.06 0.00 -0.26 0.00 0.00 64.21 63.81 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 0.47 0.46 -1.11 6.66 -1.04 -0.98 -4.55 114.28 114.18 1qn0 n THR 28 Ca 0.14 -0.31 0.05 0.00 -2.04 0.00 0.00 64.05 61.89 1qn0 n THR 28 Cb 0.55 -0.66 0.24 0.00 -1.82 0.00 0.00 70.33 68.65 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 -2.22 1.04 0.31 -1.42 8.25 -1.24 -4.59 115.22 115.35 1qn0 n HIS 29 Ca -0.11 -1.07 0.17 0.00 -0.26 0.00 0.00 57.72 56.45 1qn0 n HIS 29 Cb 0.68 -0.37 0.93 0.00 1.12 0.00 0.00 29.99 32.35 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 1.59 0.00 -0.01 -0.41 2.10 -1.79 1.59 116.57 119.64 1qn0 h LYS 30 Ca 0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.72 1qn0 h LYS 30 Cb 1.54 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.87 1qn0 h LYS 30 CO 0.29 0.00 -0.07 -3.47 -2.00 0.00 0.00 179.45 174.20 1qn0 n ASP 31 N -2.83 0.66 -4.42 7.07 -0.08 -1.26 -4.75 116.55 110.93 1qn0 n ASP 31 Ca -0.02 -0.91 -0.33 0.00 -1.51 0.00 0.00 54.79 52.01 1qn0 n ASP 31 Cb 0.21 -0.03 -0.14 0.00 2.34 0.00 0.00 41.12 43.51 1qn0 n ASP 31 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1qn0 s VAL 32 N -2.26 3.26 0.87 5.18 1.01 0.54 -5.10 120.40 123.91 1qn0 s VAL 32 Ca 0.35 -0.59 -0.14 0.00 0.00 0.00 0.00 61.98 61.60 1qn0 s VAL 32 Cb 0.21 -2.37 0.02 0.00 0.00 0.00 0.00 36.38 34.23 1qn0 s VAL 32 CO 0.42 0.53 0.52 0.29 0.00 0.00 0.00 175.10 176.86 1qn0 n LYS 33 N 3.35 -0.07 -0.04 2.72 5.02 -1.26 -4.88 118.16 122.99 1qn0 n LYS 33 Ca -0.18 0.03 -0.16 0.00 -2.02 0.00 0.00 58.31 55.98 1qn0 n LYS 33 Cb 0.53 -1.91 -0.06 0.00 -0.02 0.00 0.00 35.03 33.56 1qn0 n LYS 33 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qn0 n ASP 35 N -4.03 0.00 0.27 0.00 5.68 -1.26 -0.41 116.55 116.79 1qn0 n ASP 35 Ca -0.06 0.40 0.18 0.00 -0.50 0.00 0.00 54.79 54.80 1qn0 n ASP 35 Cb 0.67 -0.44 0.84 0.00 -1.14 0.00 0.00 41.12 41.05 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 -1.77 -3.34 116.42 112.01 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 0.17 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.18 1qn0 h ASP 36 CO 0.00 0.00 -0.46 0.00 -1.61 0.00 0.00 179.24 177.17 1qn0 n HIS 38 N -2.59 4.21 -1.16 0.00 8.25 0.45 -4.75 115.22 119.63 1qn0 n HIS 38 Ca 0.00 -2.56 -0.24 0.00 -0.26 0.00 0.00 57.72 54.67 1qn0 n HIS 38 Cb 0.23 -2.62 0.03 0.00 1.12 0.00 0.00 29.99 28.74 1qn0 n HIS 38 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1qn0 n HIS 39 N 9.51 1.95 -4.12 4.41 -0.00 -1.26 -4.30 115.22 121.42 1qn0 n HIS 39 Ca 0.48 -2.19 -0.29 0.00 -0.00 0.00 0.00 57.72 55.72 1qn0 n HIS 39 Cb 0.46 -1.16 -0.07 0.00 -0.00 0.00 0.00 29.99 29.22 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 -2.29 2.65 0.33 -1.40 1.11 -1.25 -5.08 119.66 113.73 1qn0 s GLN 40 Ca 0.45 -0.85 -0.26 0.00 0.01 0.00 0.00 55.36 54.70 1qn0 s GLN 40 Cb 0.33 -2.57 -0.13 0.00 -1.01 0.00 0.00 33.01 29.64 1qn0 s GLN 40 CO -0.07 0.52 0.90 -0.35 0.01 0.00 0.00 175.29 176.30 1qn0 n PRO 41 N 0.31 1.13 -0.28 2.91 -0.04 -1.26 -4.01 135.00 133.75 1qn0 n PRO 41 Ca -0.10 0.40 0.10 0.00 -0.04 0.00 0.00 63.50 63.87 1qn0 n PRO 41 Cb 0.53 -1.77 0.25 0.00 -0.04 0.00 0.00 33.50 32.46 1qn0 n PRO 41 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1qn0 h GLY 42 N 1.62 1.22 -1.90 0.55 0.00 -1.98 0.84 103.07 103.43 1qn0 h GLY 42 Ca -0.40 -0.01 0.56 0.00 0.00 0.00 0.00 47.33 47.48 1qn0 h GLY 42 CO 0.58 -0.33 1.41 -1.80 0.00 0.00 0.00 176.54 176.40 1qn0 h ASP 43 N 0.21 0.00 -0.31 0.19 1.82 -2.03 -1.08 116.42 115.22 1qn0 h ASP 43 Ca 0.51 0.00 -0.26 0.00 -0.39 0.00 0.00 57.03 56.88 1qn0 h ASP 43 Cb 0.98 0.00 -0.22 0.00 0.68 0.00 0.00 39.33 40.77 1qn0 h ASP 43 CO -0.63 0.00 -0.60 2.29 -1.61 0.00 0.00 179.24 178.69 1qn0 n LYS 44 N -3.92 1.17 -0.36 0.28 2.85 0.23 -4.99 118.16 113.42 1qn0 n LYS 44 Ca 0.43 -2.24 0.02 0.00 -1.05 0.00 0.00 58.31 55.48 1qn0 n LYS 44 Cb 1.99 -0.44 0.09 0.00 -0.65 0.00 0.00 35.03 36.02 1qn0 n LYS 44 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 177.40 177.72 1qn0 h GLN 45 N 2.33 -0.01 -4.31 -1.58 4.15 0.16 -3.17 115.11 112.68 1qn0 h GLN 45 Ca -0.22 0.00 -0.74 0.00 0.77 0.00 0.00 58.65 58.47 1qn0 h GLN 45 Cb 1.25 0.00 -0.22 0.00 0.21 0.00 0.00 27.48 28.72 1qn0 h GLN 45 CO 0.10 -0.00 -0.08 0.71 -1.93 0.00 0.00 178.83 177.63 1qn0 s TYR 46 N -6.11 3.17 0.26 3.99 2.02 -1.26 -3.92 117.35 115.49 1qn0 s TYR 46 Ca -0.14 -1.19 0.04 0.00 -0.37 0.00 0.00 57.07 55.41 1qn0 s TYR 46 Cb 0.24 -3.88 -0.02 0.00 -0.40 0.00 0.00 41.96 37.89 1qn0 s TYR 46 CO 0.75 -1.12 0.16 0.00 -1.57 0.00 0.00 175.55 173.76 1qn0 n ALA 47 N 5.62 0.47 -1.77 3.71 0.00 -1.20 -5.14 120.51 122.20 1qn0 n ALA 47 Ca -0.11 -1.42 -0.38 0.00 0.00 0.00 0.00 53.44 51.52 1qn0 n ALA 47 Cb 0.41 1.07 -0.04 0.00 0.00 0.00 0.00 19.45 20.89 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 -2.71 2.88 0.06 0.00 0.00 -1.26 -4.95 107.32 101.34 1qn0 s GLY 48 Ca 0.23 0.76 -0.03 0.00 0.00 0.00 0.00 44.72 45.68 1qn0 s GLY 48 CO 0.16 1.26 1.09 0.00 0.00 0.00 0.00 173.10 175.61 1qn0 n THR 50 N -3.50 1.17 -1.40 0.00 -2.24 -1.26 -1.31 114.28 105.75 1qn0 n THR 50 Ca -0.09 -0.61 -0.33 0.00 -2.27 0.00 0.00 64.05 60.75 1qn0 n THR 50 Cb 1.02 -0.35 0.09 0.00 -2.10 0.00 0.00 70.33 69.00 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 -1.77 2.69 0.72 4.28 2.01 -1.19 -3.73 115.64 118.65 1qn0 s THR 51 Ca 0.24 0.30 -0.16 0.00 0.31 0.00 0.00 61.69 62.38 1qn0 s THR 51 Cb 0.18 -2.76 0.00 0.00 0.01 0.00 0.00 72.50 69.93 1qn0 s THR 51 CO 0.08 -0.22 0.91 -0.67 -0.69 0.00 0.00 174.62 174.03 1qn0 n ASP 52 N -2.96 0.27 -0.87 3.53 2.03 -1.26 -1.24 116.55 116.05 1qn0 n ASP 52 Ca 0.12 0.66 -0.11 0.00 0.52 0.00 0.00 54.79 55.98 1qn0 n ASP 52 Cb 0.51 -1.38 -0.05 0.00 -0.72 0.00 0.00 41.12 39.49 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 1.16 1.00 0.00 0.27 0.00 -1.26 -4.82 105.19 101.54 1qn0 n GLY 53 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 1.32 -1.84 0.00 8.25 -0.43 -4.56 115.22 117.96 1qn0 n HIS 55 Ca 0.00 -1.85 -0.41 0.00 -0.26 0.00 0.00 57.72 55.19 1qn0 n HIS 55 Cb 0.00 -1.16 -0.01 0.00 1.12 0.00 0.00 29.99 29.94 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 0.84 6.12 -3.75 0.41 2.85 -1.20 -4.01 115.26 116.52 1qn0 n ASN 56 Ca 0.37 -2.90 -0.28 0.00 -0.11 0.00 0.00 54.58 51.65 1qn0 n ASN 56 Cb 0.60 -1.53 -0.16 0.00 1.24 0.00 0.00 39.78 39.92 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 1.40 0.64 -0.39 -1.44 -1.09 -1.20 -4.98 121.20 114.15 1qn0 s ILE 57 Ca 0.52 -0.72 0.06 0.00 -2.23 0.00 0.00 60.65 58.28 1qn0 s ILE 57 Cb 0.15 -1.18 0.65 0.00 -1.58 0.00 0.00 42.46 40.50 1qn0 s ILE 57 CO -0.06 -0.27 1.79 0.18 -1.23 0.00 0.00 174.94 175.36 1qn0 n LEU 58 N 5.00 6.02 -3.90 2.97 4.77 -1.26 -3.74 117.00 126.85 1qn0 n LEU 58 Ca -0.08 -3.56 -0.30 0.00 -0.03 0.00 0.00 56.01 52.04 1qn0 n LEU 58 Cb 0.46 -0.77 -0.11 0.00 -2.33 0.00 0.00 43.42 40.67 1qn0 n LEU 58 CO 0.13 1.04 0.06 -0.67 -1.33 0.00 0.00 177.39 176.62 1qn0 n ASP 59 N -0.94 3.34 -4.55 -1.43 -0.08 -1.26 -4.88 116.55 106.75 1qn0 n ASP 59 Ca 0.50 -3.22 -0.42 0.00 -1.51 0.00 0.00 54.79 50.13 1qn0 n ASP 59 Cb 1.47 -0.81 0.00 0.00 2.34 0.00 0.00 41.12 44.13 1qn0 n ASP 59 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1qn0 n LYS 60 N 1.92 1.07 -2.39 -0.67 -0.00 -1.26 -2.94 118.16 113.89 1qn0 n LYS 60 Ca 0.21 0.38 -0.02 0.00 -0.00 0.00 0.00 58.31 58.88 1qn0 n LYS 60 Cb 0.36 -1.80 0.01 0.00 -0.00 0.00 0.00 35.03 33.59 1qn0 n LYS 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1qn0 n ALA 61 N -0.43 -0.17 -2.32 0.58 0.00 -1.26 -5.07 120.51 111.85 1qn0 n ALA 61 Ca 0.10 0.02 -0.24 0.00 0.00 0.00 0.00 53.44 53.32 1qn0 n ALA 61 Cb 0.37 -0.86 -0.01 0.00 0.00 0.00 0.00 19.45 18.95 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 -3.08 4.76 -0.59 0.00 2.15 -1.15 -5.09 116.67 113.66 1qn0 s ASP 62 Ca 0.03 -1.09 0.04 0.00 0.43 0.00 0.00 52.55 51.96 1qn0 s ASP 62 Cb -0.01 0.17 0.15 0.00 -0.30 0.00 0.00 42.92 42.92 1qn0 s ASP 62 CO 0.07 -1.02 0.38 -0.75 -0.17 0.00 0.00 175.17 173.68 1qn0 s LYS 63 N -4.28 2.08 -0.22 4.34 2.20 -1.26 -5.04 119.74 117.56 1qn0 s LYS 63 Ca 0.40 -2.88 -0.32 0.00 -0.36 0.00 0.00 55.97 52.82 1qn0 s LYS 63 Cb -0.03 -3.15 0.16 0.00 -1.51 0.00 0.00 37.83 33.30 1qn0 s LYS 63 CO 0.25 -1.22 1.22 0.45 -0.36 0.00 0.00 175.35 175.69 1qn0 s SER 64 N -0.77 -0.15 0.00 1.43 0.15 -1.26 -4.99 113.70 108.11 1qn0 s SER 64 Ca 0.22 0.11 0.27 0.00 0.70 0.00 0.00 55.95 57.24 1qn0 s SER 64 Cb -0.14 0.14 1.60 0.00 -1.71 0.00 0.00 66.02 65.91 1qn0 s SER 64 CO -0.09 -0.18 2.01 0.55 1.20 0.00 0.00 173.24 176.73 1qn0 n VAL 65 N 0.34 0.00 -0.10 4.45 3.14 -1.26 -2.59 118.33 122.31 1qn0 n VAL 65 Ca -0.02 0.00 0.08 0.00 -2.96 0.00 0.00 64.34 61.44 1qn0 n VAL 65 Cb 0.58 -0.46 0.28 0.00 -1.06 0.00 0.00 33.84 33.19 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 -0.94 3.70 -4.73 6.55 4.13 -1.26 -4.83 115.26 117.89 1qn0 n ASN 66 Ca 0.20 -2.23 -0.41 0.00 1.68 0.00 0.00 54.58 53.82 1qn0 n ASN 66 Cb 0.09 -0.48 -0.04 0.00 -1.54 0.00 0.00 39.78 37.82 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 -0.89 7.39 -0.05 6.41 1.04 -1.07 -3.27 113.70 123.27 1qn0 s SER 67 Ca 0.41 1.84 0.13 0.00 0.48 0.00 0.00 55.95 58.82 1qn0 s SER 67 Cb 0.25 -2.59 0.47 0.00 0.10 0.00 0.00 66.02 64.25 1qn0 s SER 67 CO 0.23 -0.17 1.35 1.87 0.98 0.00 0.00 173.24 177.50 1qn0 n TRP 68 N 3.04 0.88 0.05 5.02 -0.00 -1.25 -3.47 117.44 121.71 1qn0 n TRP 68 Ca 0.04 -0.38 0.00 0.00 -0.00 0.00 0.00 57.50 57.17 1qn0 n TRP 68 Cb 0.49 -0.11 -0.00 0.00 -0.00 0.00 0.00 31.31 31.68 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 0.79 0.00 -0.13 5.87 4.19 -1.26 -4.52 117.16 122.09 1qn0 n TYR 69 Ca 0.17 0.00 -0.24 0.00 3.31 0.00 0.00 57.90 61.14 1qn0 n TYR 69 Cb 0.56 0.00 -0.11 0.00 0.49 0.00 0.00 39.34 40.28 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 -0.74 0.62 0.00 2.98 4.81 -1.23 -2.95 118.16 121.66 1qn0 n LYS 70 Ca 0.00 0.21 0.03 0.00 -0.87 0.00 0.00 58.31 57.69 1qn0 n LYS 70 Cb 0.02 -1.51 0.15 0.00 0.02 0.00 0.00 35.03 33.71 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 -3.76 1.44 -0.13 3.15 0.24 -1.23 0.19 118.33 118.24 1qn0 n VAL 71 Ca -0.50 0.36 -0.26 0.00 -2.04 0.00 0.00 64.34 61.90 1qn0 n VAL 71 Cb 0.94 -1.24 -0.10 0.00 -1.47 0.00 0.00 33.84 31.97 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 -1.47 1.43 -1.34 3.34 0.31 -1.26 -4.25 118.33 115.09 1qn0 n VAL 72 Ca 0.02 -0.40 -0.23 0.00 -0.01 0.00 0.00 64.34 63.72 1qn0 n VAL 72 Cb 0.08 -1.75 0.15 0.00 -0.91 0.00 0.00 33.84 31.41 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 -3.97 2.71 -2.79 3.52 8.25 -0.95 -3.69 115.22 118.30 1qn0 n HIS 73 Ca -0.50 -2.10 -0.43 0.00 -0.26 0.00 0.00 57.72 54.43 1qn0 n HIS 73 Cb 0.89 -0.95 -0.04 0.00 1.12 0.00 0.00 29.99 31.01 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 -1.79 6.48 0.26 0.41 1.01 0.52 -4.85 116.67 118.70 1qn0 s ASP 74 Ca 0.56 0.06 0.20 0.00 0.71 0.00 0.00 52.55 54.08 1qn0 s ASP 74 Cb 0.47 -2.46 0.08 0.00 1.01 0.00 0.00 42.92 42.02 1qn0 s ASP 74 CO 0.06 -1.13 1.24 0.00 0.21 0.00 0.00 175.17 175.54 1qn0 h ALA 75 N 9.17 0.70 -2.27 5.23 0.00 -1.92 -3.36 119.26 126.82 1qn0 h ALA 75 Ca -0.24 -0.26 -0.48 0.00 0.00 0.00 0.00 54.91 53.92 1qn0 h ALA 75 Cb 1.07 0.04 0.04 0.00 0.00 0.00 0.00 17.79 18.94 1qn0 h ALA 75 CO 1.06 0.31 0.38 0.21 0.00 0.00 0.00 179.25 181.21 1qn0 s LYS 76 N -3.15 3.66 0.16 0.00 2.20 -1.26 -4.81 119.74 116.54 1qn0 s LYS 76 Ca 0.02 1.11 0.06 0.00 -0.36 0.00 0.00 55.97 56.79 1qn0 s LYS 76 Cb 0.08 -2.09 -0.04 0.00 -1.51 0.00 0.00 37.83 34.27 1qn0 s LYS 76 CO 0.75 -0.52 -0.12 0.20 -0.36 0.00 0.00 175.35 175.30 1qn0 s GLY 77 N -2.82 1.17 0.00 5.54 0.00 -1.26 -4.83 107.32 105.12 1qn0 s GLY 77 Ca 0.62 -1.49 0.00 0.00 0.00 0.00 0.00 44.72 43.84 1qn0 s GLY 77 CO 0.32 -1.58 0.00 0.61 0.00 0.00 0.00 173.10 172.45 1qn0 n GLY 78 N -0.08 -2.48 0.09 0.20 0.00 -1.26 -4.98 105.19 96.68 1qn0 n GLY 78 Ca -0.11 0.83 -0.15 0.00 0.00 0.00 0.00 46.02 46.59 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 1.96 0.03 -2.86 4.61 0.00 -2.07 -3.48 119.26 117.46 1qn0 h ALA 79 Ca 0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 1qn0 h ALA 79 Cb 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.67 1qn0 h ALA 79 CO 0.00 0.01 0.04 -1.59 0.00 0.00 0.00 179.25 177.71 1qn0 s LYS 80 N -3.23 1.18 0.82 0.00 -2.85 -1.26 -5.18 119.74 109.23 1qn0 s LYS 80 Ca -0.16 -0.65 -0.12 0.00 -1.00 0.00 0.00 55.97 54.04 1qn0 s LYS 80 Cb 0.01 0.52 0.10 0.00 -2.06 0.00 0.00 37.83 36.39 1qn0 s LYS 80 CO 0.72 -0.49 1.18 -1.25 0.10 0.00 0.00 175.35 175.62 1qn0 s PRO 81 N -3.79 1.75 0.00 1.78 0.04 -1.26 -4.81 135.00 128.70 1qn0 s PRO 81 Ca 0.03 -0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.03 1qn0 s PRO 81 Cb 0.01 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1qn0 s PRO 81 CO -0.11 -1.70 0.00 0.25 0.04 0.00 0.00 177.00 175.48 1qn0 n THR 82 N -3.34 0.00 1.88 1.26 -2.24 -1.26 -4.93 114.28 105.64 1qn0 n THR 82 Ca 0.09 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.02 1qn0 n THR 82 Cb 0.61 0.00 0.86 0.00 -2.10 0.00 0.00 70.33 69.69 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 -0.98 0.54 0.16 0.00 2.08 -1.25 -4.06 119.36 115.85 1qn0 n ILE 84 Ca 0.22 -0.16 -0.16 0.00 0.56 0.00 0.00 62.75 63.20 1qn0 n ILE 84 Cb 0.10 -1.36 -0.09 0.00 -0.75 0.00 0.00 39.64 37.54 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 -0.23 -1.45 0.90 4.38 0.87 -1.70 1.79 113.55 118.11 1qn0 h SER 85 Ca -0.24 0.14 -0.04 0.00 -1.23 0.00 0.00 61.79 60.43 1qn0 h SER 85 Cb 1.25 0.52 0.01 0.00 -0.44 0.00 0.00 62.40 63.74 1qn0 h SER 85 CO -0.11 -0.57 -0.43 0.00 -0.53 0.00 0.00 176.83 175.19 1qn0 h HIS 87 N -1.31 0.14 0.04 0.00 -0.00 -1.67 0.64 115.15 112.99 1qn0 h HIS 87 Ca -0.12 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.25 1qn0 h HIS 87 Cb 0.93 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 28.30 1qn0 h HIS 87 CO -0.00 -0.01 -0.02 0.87 -0.00 0.00 0.00 177.93 178.77 1qn0 h LYS 88 N 0.06 -0.05 -0.90 2.45 1.79 0.35 -2.57 116.57 117.70 1qn0 h LYS 88 Ca 0.64 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 59.20 1qn0 h LYS 88 Cb 2.38 0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 32.97 1qn0 h LYS 88 CO -0.08 0.43 0.58 0.22 -1.08 0.00 0.00 179.45 179.52 1qn0 h ASP 89 N -0.55 0.83 -0.83 0.86 3.58 0.19 0.63 116.42 121.13 1qn0 h ASP 89 Ca -0.01 0.02 0.04 0.00 0.42 0.00 0.00 57.03 57.50 1qn0 h ASP 89 Cb 0.50 -0.15 -0.05 0.00 1.72 0.00 0.00 39.33 41.35 1qn0 h ASP 89 CO 0.01 0.50 0.53 0.11 -2.88 0.00 0.00 179.24 177.51 1qn0 h LYS 90 N 0.92 1.00 0.00 0.28 1.79 -0.68 -3.33 116.57 116.55 1qn0 h LYS 90 Ca 0.42 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.83 1qn0 h LYS 90 Cb 0.37 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1qn0 h LYS 90 CO -0.18 0.66 0.00 0.00 -1.08 0.00 0.00 179.45 178.86 1qn0 n ALA 91 N -2.34 0.00 -3.03 3.86 0.00 0.12 -4.93 120.51 114.18 1qn0 n ALA 91 Ca 0.10 -0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.54 1qn0 n ALA 91 Cb 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.54 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 2.49 -0.98 4.00 0.00 0.00 0.20 -2.69 105.19 108.20 1qn0 n GLY 92 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1qn0 n GLY 92 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qn0 n ASP 93 N 1.85 0.00 -4.54 1.61 5.68 -1.26 -4.90 116.55 114.99 1qn0 n ASP 93 Ca -0.05 0.00 -0.27 0.00 -0.50 0.00 0.00 54.79 53.97 1qn0 n ASP 93 Cb 0.25 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.16 1qn0 n ASP 93 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1qn0 n ASP 94 N 2.79 1.61 0.01 -1.12 -0.08 -1.09 -4.72 116.55 113.94 1qn0 n ASP 94 Ca 0.00 -0.81 -0.06 0.00 -1.51 0.00 0.00 54.79 52.41 1qn0 n ASP 94 Cb 0.00 -1.46 0.13 0.00 2.34 0.00 0.00 41.12 42.13 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 15.61 0.51 0.00 -0.67 1.79 -1.90 1.32 116.57 133.22 1qn0 h LYS 95 Ca -0.11 -0.25 -0.07 0.00 -2.18 0.00 0.00 60.65 58.04 1qn0 h LYS 95 Cb 1.16 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.80 1qn0 h LYS 95 CO 1.16 0.81 -0.35 0.93 -1.08 0.00 0.00 179.45 180.93 1qn0 h GLU 96 N 0.43 0.00 0.00 3.15 5.08 -1.97 -2.51 114.58 118.75 1qn0 h GLU 96 Ca 0.04 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1qn0 h GLU 96 Cb 0.85 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 1qn0 h GLU 96 CO 0.07 0.35 -1.62 -0.11 -1.00 0.00 0.00 179.01 176.70 1qn0 n LEU 97 N -4.08 0.32 -1.07 1.33 -0.00 -0.97 -3.97 117.00 108.56 1qn0 n LEU 97 Ca -0.02 0.12 -0.01 0.00 -0.00 0.00 0.00 56.01 56.11 1qn0 n LEU 97 Cb 0.39 -0.02 0.10 0.00 -0.00 0.00 0.00 43.42 43.89 1qn0 n LEU 97 CO 0.38 -0.07 0.54 1.17 -0.00 0.00 0.00 177.39 179.41 1qn0 n LYS 98 N -2.42 1.92 -2.67 1.96 0.00 0.45 -3.69 118.16 113.71 1qn0 n LYS 98 Ca -0.02 -0.93 -0.09 0.00 0.00 0.00 0.00 58.31 57.26 1qn0 n LYS 98 Cb 0.56 -1.61 0.03 0.00 0.00 0.00 0.00 35.03 34.01 1qn0 n LYS 98 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1qn0 n LYS 99 N 0.13 1.44 0.00 1.64 4.76 -1.14 -4.13 118.16 120.86 1qn0 n LYS 99 Ca 0.11 -3.40 0.00 0.00 -2.87 0.00 0.00 58.31 52.16 1qn0 n LYS 99 Cb 0.64 -1.39 0.00 0.00 -1.84 0.00 0.00 35.03 32.44 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 -0.19 0.00 0.01 1.97 2.85 -1.24 -4.67 118.16 116.89 1qn0 n LYS 100 Ca 0.11 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.30 1qn0 n LYS 100 Cb 0.81 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 35.06 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 -0.76 -5.58 3.38 -1.89 0.20 115.31 110.66 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 0.94 -0.01 0.35 0.09 0.00 0.00 178.44 179.81 1qn0 n THR 102 N -3.10 0.00 -1.68 0.22 -2.24 -1.26 -4.85 114.28 101.36 1qn0 n THR 102 Ca -0.12 -0.50 -0.53 0.00 -2.27 0.00 0.00 64.05 60.64 1qn0 n THR 102 Cb 0.99 1.01 -0.06 0.00 -2.10 0.00 0.00 70.33 70.17 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 0.28 1.01 0.08 3.38 0.00 -1.26 -4.87 105.19 103.81 1qn0 n GLY 103 Ca 0.00 0.84 -0.13 0.00 0.00 0.00 0.00 46.02 46.74 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 -4.24 2.46 -0.22 0.00 -2.85 -1.26 -4.72 119.74 108.91 1qn0 s LYS 105 Ca -0.15 -0.70 -0.01 0.00 -1.00 0.00 0.00 55.97 54.10 1qn0 s LYS 105 Cb 0.02 -1.93 0.00 0.00 -2.06 0.00 0.00 37.83 33.86 1qn0 s LYS 105 CO 0.63 0.15 0.19 0.41 0.10 0.00 0.00 175.35 176.83 1qn0 n GLY 106 N 3.54 0.53 3.83 0.59 0.00 -0.47 -5.04 105.19 108.17 1qn0 n GLY 106 Ca -0.20 -0.46 -0.28 0.00 0.00 0.00 0.00 46.02 45.07 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 -3.13 4.43 0.00 1.61 1.04 -0.41 -4.77 113.70 112.47 1qn0 s SER 107 Ca 0.06 -1.37 0.16 0.00 0.48 0.00 0.00 55.95 55.28 1qn0 s SER 107 Cb -0.03 0.33 0.78 0.00 0.10 0.00 0.00 66.02 67.20 1qn0 s SER 107 CO 0.12 -0.94 1.48 0.00 0.98 0.00 0.00 173.24 174.89 1qn0 n ALA 108 N -1.52 1.84 -0.11 5.32 0.00 0.06 -2.53 120.51 123.57 1qn0 n ALA 108 Ca -0.08 -0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.08 1qn0 n ALA 108 Cb 0.65 -1.26 -0.09 0.00 0.00 0.00 0.00 19.45 18.75 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 -2.43 3.52 -1.23 0.00 4.02 -1.10 -4.47 115.29 113.61 1qn0 s HIS 110 Ca -0.32 -3.16 -0.10 0.00 1.02 0.00 0.00 55.06 52.51 1qn0 s HIS 110 Cb 0.11 -2.91 0.19 0.00 -1.02 0.00 0.00 32.58 28.95 1qn0 s HIS 110 CO 0.45 -0.67 1.69 -0.35 1.02 0.00 0.00 174.74 176.88 1qn0 n PRO 111 N 2.51 3.67 0.00 8.40 -0.04 -1.05 -1.28 135.00 147.21 1qn0 n PRO 111 Ca 0.15 -3.77 0.00 0.00 -0.04 0.00 0.00 63.50 59.84 1qn0 n PRO 111 Cb 0.35 -2.88 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