#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 -8.17 -4.68 6.55 -0.08 -1.26 -4.71 116.55 104.20 1qn0 n ASP 2 Ca 0.00 1.68 -0.49 0.00 -1.51 0.00 0.00 54.79 54.47 1qn0 n ASP 2 Cb 0.00 -4.71 -0.05 0.00 2.34 0.00 0.00 41.12 38.70 1qn0 n ASP 2 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1qn0 n VAL 3 N 1.89 0.50 -1.00 5.18 3.14 -1.26 -4.88 118.33 121.91 1qn0 n VAL 3 Ca 0.00 -0.09 -0.37 0.00 -2.96 0.00 0.00 64.34 60.92 1qn0 n VAL 3 Cb 0.00 -1.78 0.04 0.00 -1.06 0.00 0.00 33.84 31.04 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 6.21 -0.01 -3.00 1.45 -0.02 -1.26 -4.92 135.00 133.45 1qn0 n PRO 4 Ca 0.22 -0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.39 1qn0 n PRO 4 Cb 0.28 -1.01 -0.04 0.00 -0.02 0.00 0.00 33.50 32.70 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 3.37 0.77 3.55 0.00 -1.26 -4.72 121.76 121.47 1qn0 s ALA 5 Ca 0.39 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.19 1qn0 s ALA 5 Cb -0.10 -2.68 0.00 0.00 0.00 0.00 0.00 23.12 20.34 1qn0 s ALA 5 CO 0.78 0.13 0.00 -0.40 0.00 0.00 0.00 175.76 176.27 1qn0 n ASP 6 N -0.95 -1.14 -1.56 0.00 5.75 -1.26 -4.39 116.55 113.00 1qn0 n ASP 6 Ca 0.02 0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 54.69 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 0.02 3.78 6.12 0.00 -1.24 -5.00 105.19 108.88 1qn0 n GLY 7 Ca 0.00 -0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.78 3.53 -0.07 4.61 0.00 -1.07 -4.96 121.76 121.02 1qn0 s ALA 8 Ca 0.12 0.03 0.04 0.00 0.00 0.00 0.00 51.96 52.15 1qn0 s ALA 8 Cb -0.05 -2.69 -0.01 0.00 0.00 0.00 0.00 23.12 20.36 1qn0 s ALA 8 CO 0.14 0.27 -0.21 0.15 0.00 0.00 0.00 175.76 176.12 1qn0 s LYS 9 N -0.59 2.68 -0.18 0.00 1.02 -1.26 -0.59 119.74 120.82 1qn0 s LYS 9 Ca 0.30 -0.82 -0.02 0.00 0.02 0.00 0.00 55.97 55.45 1qn0 s LYS 9 Cb -0.19 -2.29 -0.01 0.00 -0.52 0.00 0.00 37.83 34.82 1qn0 s LYS 9 CO 0.18 0.41 -0.09 0.42 -0.92 0.00 0.00 175.35 175.35 1qn0 s ILE 10 N -0.21 3.16 -0.40 2.17 1.01 0.99 -4.98 121.20 122.94 1qn0 s ILE 10 Ca -0.01 -0.59 0.07 0.00 0.00 0.00 0.00 60.65 60.11 1qn0 s ILE 10 Cb -0.13 -2.38 0.17 0.00 0.01 0.00 0.00 42.46 40.13 1qn0 s ILE 10 CO 0.03 0.48 0.56 -0.62 0.00 0.00 0.00 174.94 175.39 1qn0 s ASP 11 N 0.93 -0.79 -0.03 3.58 2.15 -1.26 -2.37 116.67 118.88 1qn0 s ASP 11 Ca -0.02 -1.00 0.05 0.00 0.43 0.00 0.00 52.55 52.00 1qn0 s ASP 11 Cb -0.15 1.57 -0.07 0.00 -0.30 0.00 0.00 42.92 43.98 1qn0 s ASP 11 CO -0.00 -0.19 0.06 0.49 -0.17 0.00 0.00 175.17 175.36 1qn0 n PHE 12 N 4.37 0.00 -3.34 -5.34 3.72 -1.26 -4.84 117.46 110.77 1qn0 n PHE 12 Ca 0.11 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 57.05 1qn0 n PHE 12 Cb 0.54 -0.17 -0.01 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 -2.23 5.75 1.28 4.37 1.01 -1.26 -4.99 121.20 125.14 1qn0 s ILE 13 Ca -0.02 -2.83 -0.18 0.00 0.00 0.00 0.00 60.65 57.62 1qn0 s ILE 13 Cb 0.02 -4.51 0.32 0.00 0.01 0.00 0.00 42.46 38.30 1qn0 s ILE 13 CO 0.20 -1.09 0.99 0.00 0.00 0.00 0.00 174.94 175.05 1qn0 s ALA 14 N -0.37 -0.45 0.30 9.38 0.00 -1.26 -4.75 121.76 124.60 1qn0 s ALA 14 Ca 0.23 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.63 1qn0 s ALA 14 Cb -0.10 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 19.96 1qn0 s ALA 14 CO -0.09 -4.13 0.00 0.41 0.00 0.00 0.00 175.76 171.95 1qn0 n GLY 15 N 0.77 -0.37 0.00 0.00 0.00 -1.25 -5.05 105.19 99.28 1qn0 n GLY 15 Ca 0.08 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 1.41 -0.50 0.12 -0.02 0.00 -1.26 -4.94 105.19 100.00 1qn0 n GLY 16 Ca 0.00 0.20 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 1qn0 n GLY 16 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1qn0 h GLU 17 N 0.00 0.30 0.00 1.61 4.39 -2.05 -3.47 114.58 115.36 1qn0 h GLU 17 Ca 0.00 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1qn0 h GLU 17 Cb 0.00 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1qn0 h GLU 17 CO 0.00 0.43 0.00 1.63 -1.16 0.00 0.00 179.01 179.91 1qn0 n LYS 18 N -4.79 0.00 -3.64 2.33 5.02 -1.26 -5.18 118.16 110.64 1qn0 n LYS 18 Ca -0.04 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.21 1qn0 n LYS 18 Cb 0.16 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.11 1qn0 n LYS 18 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1qn0 s ASN 19 N 0.98 -0.47 -0.84 4.39 2.20 -1.26 -3.80 114.94 116.13 1qn0 s ASN 19 Ca 0.00 0.79 -0.25 0.00 -0.94 0.00 0.00 52.86 52.46 1qn0 s ASN 19 Cb 0.00 1.09 0.00 0.00 -2.00 0.00 0.00 41.25 40.34 1qn0 s ASN 19 CO 0.00 -0.13 1.65 -0.76 -2.94 0.00 0.00 177.10 174.92 1qn0 s LEU 20 N 1.03 3.28 -0.41 3.54 1.43 -1.26 -4.94 118.68 121.35 1qn0 s LEU 20 Ca -0.06 -0.62 -0.22 0.00 -1.03 0.00 0.00 54.13 52.20 1qn0 s LEU 20 Cb -0.04 -2.56 0.02 0.00 0.03 0.00 0.00 46.19 43.64 1qn0 s LEU 20 CO -0.13 -2.13 0.72 -0.89 0.23 0.00 0.00 176.35 174.15 1qn0 s THR 21 N 7.54 4.76 -0.01 5.49 2.01 -1.26 -4.81 115.64 129.35 1qn0 s THR 21 Ca 0.55 0.45 -0.17 0.00 0.31 0.00 0.00 61.69 62.84 1qn0 s THR 21 Cb -0.06 -4.22 -0.06 0.00 0.01 0.00 0.00 72.50 68.17 1qn0 s THR 21 CO 0.05 -0.56 0.47 -0.69 -0.69 0.00 0.00 174.62 173.19 1qn0 s VAL 22 N 3.02 4.99 -0.15 3.82 1.01 -1.00 -4.86 120.40 127.23 1qn0 s VAL 22 Ca 0.27 0.97 -0.06 0.00 0.00 0.00 0.00 61.98 63.15 1qn0 s VAL 22 Cb -0.13 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1qn0 s VAL 22 CO 0.19 0.52 0.07 -0.69 0.00 0.00 0.00 175.10 175.19 1qn0 s VAL 23 N -0.70 4.89 0.36 2.92 1.01 -1.26 -0.01 120.40 127.61 1qn0 s VAL 23 Ca 0.26 -0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.28 1qn0 s VAL 23 Cb -0.17 -3.16 -0.07 0.00 0.00 0.00 0.00 36.38 32.98 1qn0 s VAL 23 CO 0.14 0.53 0.02 0.12 0.00 0.00 0.00 175.10 175.91 1qn0 s PHE 24 N -0.23 2.22 -0.18 5.22 5.36 0.24 -4.93 117.98 125.67 1qn0 s PHE 24 Ca 0.08 -0.79 -0.08 0.00 -0.96 0.00 0.00 56.93 55.18 1qn0 s PHE 24 Cb -0.12 -1.48 0.07 0.00 -0.34 0.00 0.00 43.02 41.16 1qn0 s PHE 24 CO 0.01 0.25 0.41 -0.80 -1.46 0.00 0.00 175.22 173.64 1qn0 s ASN 25 N -3.58 -0.39 0.35 6.13 0.01 -1.26 -2.61 114.94 113.59 1qn0 s ASN 25 Ca 0.35 0.94 0.26 0.00 -0.71 0.00 0.00 52.86 53.70 1qn0 s ASN 25 Cb 0.08 1.03 0.78 0.00 0.41 0.00 0.00 41.25 43.55 1qn0 s ASN 25 CO 0.16 -0.21 1.75 0.45 -1.51 0.00 0.00 177.10 177.74 1qn0 h HIS 26 N 7.61 0.00 -0.27 2.20 3.86 -1.88 -2.77 115.15 123.90 1qn0 h HIS 26 Ca -0.27 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 1qn0 h HIS 26 Cb 1.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.62 1qn0 h HIS 26 CO 0.26 0.00 0.00 -1.13 0.86 0.00 0.00 177.93 177.92 1qn0 n SER 27 N -2.66 2.42 -0.03 2.45 3.41 -1.26 -3.14 113.62 114.82 1qn0 n SER 27 Ca 0.04 -2.23 -0.03 0.00 -0.26 0.00 0.00 58.87 56.39 1qn0 n SER 27 Cb 0.41 -0.42 -0.04 0.00 -0.26 0.00 0.00 64.21 63.89 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 0.32 0.40 -1.06 6.66 -1.04 -1.05 -4.58 114.28 113.94 1qn0 n THR 28 Ca 0.11 -0.23 0.03 0.00 -2.04 0.00 0.00 64.05 61.92 1qn0 n THR 28 Cb 0.48 -0.83 0.29 0.00 -1.82 0.00 0.00 70.33 68.45 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 -2.32 1.52 0.29 -1.42 8.25 -1.23 -4.53 115.22 115.78 1qn0 n HIS 29 Ca -0.10 -1.04 0.17 0.00 -0.26 0.00 0.00 57.72 56.49 1qn0 n HIS 29 Cb 0.68 -0.46 0.88 0.00 1.12 0.00 0.00 29.99 32.21 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 2.24 0.00 -0.01 -0.41 2.10 -1.79 1.64 116.57 120.34 1qn0 h LYS 30 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 1qn0 h LYS 30 Cb 1.78 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.11 1qn0 h LYS 30 CO 0.42 0.00 -0.08 -3.47 -2.00 0.00 0.00 179.45 174.32 1qn0 n ASP 31 N -2.77 0.71 -4.40 7.07 -0.08 -1.26 -4.75 116.55 111.07 1qn0 n ASP 31 Ca -0.02 -0.93 -0.33 0.00 -1.51 0.00 0.00 54.79 52.00 1qn0 n ASP 31 Cb 0.21 -0.02 -0.14 0.00 2.34 0.00 0.00 41.12 43.52 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 3.32 0.95 5.18 1.01 0.56 -5.10 120.40 124.06 1qn0 s VAL 32 Ca 0.34 -0.56 -0.13 0.00 0.00 0.00 0.00 61.98 61.63 1qn0 s VAL 32 Cb 0.21 -2.42 0.02 0.00 0.00 0.00 0.00 36.38 34.18 1qn0 s VAL 32 CO 0.42 0.51 0.29 0.29 0.00 0.00 0.00 175.10 176.61 1qn0 n LYS 33 N 3.62 -0.25 -0.00 2.72 4.76 -1.26 -4.87 118.16 122.88 1qn0 n LYS 33 Ca -0.18 -0.03 -0.18 0.00 -2.87 0.00 0.00 58.31 55.05 1qn0 n LYS 33 Cb 0.52 -1.77 -0.09 0.00 -1.84 0.00 0.00 35.03 31.86 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 -3.97 0.00 0.25 0.00 5.68 -1.26 -0.42 116.55 116.82 1qn0 n ASP 35 Ca -0.09 0.33 0.17 0.00 -0.50 0.00 0.00 54.79 54.70 1qn0 n ASP 35 Cb 0.76 -0.41 0.77 0.00 -1.14 0.00 0.00 41.12 41.10 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 -3.35 116.42 111.97 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 0.17 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 -0.43 0.00 -1.61 0.00 0.00 179.24 177.20 1qn0 n HIS 38 N -2.62 3.95 -1.17 0.00 8.25 0.45 -4.75 115.22 119.31 1qn0 n HIS 38 Ca 0.00 -2.40 -0.23 0.00 -0.26 0.00 0.00 57.72 54.83 1qn0 n HIS 38 Cb 0.21 -2.61 0.01 0.00 1.12 0.00 0.00 29.99 28.72 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 10.11 1.78 -4.13 4.41 -0.00 -1.26 -4.31 115.22 121.82 1qn0 n HIS 39 Ca 0.48 -2.08 -0.30 0.00 -0.00 0.00 0.00 57.72 55.81 1qn0 n HIS 39 Cb 0.46 -1.16 -0.08 0.00 -0.00 0.00 0.00 29.99 29.21 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 -2.06 2.64 0.69 -1.40 1.11 -1.26 -5.09 119.66 114.30 1qn0 s GLN 40 Ca 0.45 -0.78 -0.16 0.00 0.01 0.00 0.00 55.36 54.87 1qn0 s GLN 40 Cb 0.33 -2.59 -0.03 0.00 -1.01 0.00 0.00 33.01 29.70 1qn0 s GLN 40 CO -0.09 0.55 0.74 -0.35 0.01 0.00 0.00 175.29 176.15 1qn0 n PRO 41 N 0.63 0.46 -0.53 2.91 -0.04 -1.26 -4.28 135.00 132.88 1qn0 n PRO 41 Ca -0.11 0.20 -0.14 0.00 -0.04 0.00 0.00 63.50 63.41 1qn0 n PRO 41 Cb 0.52 -2.00 0.13 0.00 -0.04 0.00 0.00 33.50 32.11 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 1.42 -2.31 5.00 0.55 0.00 -1.26 -0.78 105.19 107.81 1qn0 n GLY 42 Ca 0.12 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.81 0.00 -1.50 1.61 -0.08 -1.26 -3.47 116.55 111.04 1qn0 n ASP 43 Ca 0.06 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.34 1qn0 n ASP 43 Cb 0.28 0.00 0.28 0.00 2.34 0.00 0.00 41.12 44.03 1qn0 n ASP 43 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1qn0 n LYS 44 N 0.00 3.29 -0.36 -0.67 2.85 -1.20 -4.67 118.16 117.40 1qn0 n LYS 44 Ca 0.00 -3.04 0.33 0.00 -1.05 0.00 0.00 58.31 54.55 1qn0 n LYS 44 Cb 0.00 -2.04 0.58 0.00 -0.65 0.00 0.00 35.03 32.92 1qn0 n LYS 44 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 1qn0 n GLN 45 N -0.35 -0.04 -3.52 -1.58 7.27 0.04 -1.85 117.38 117.34 1qn0 n GLN 45 Ca 0.32 1.20 -0.40 0.00 0.07 0.00 0.00 57.00 58.18 1qn0 n GLN 45 Cb 1.16 -2.25 -0.04 0.00 2.41 0.00 0.00 30.24 31.51 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 -5.24 3.91 0.37 3.69 2.02 -1.26 -4.04 117.35 116.80 1qn0 s TYR 46 Ca -0.07 -2.73 0.00 0.00 -0.37 0.00 0.00 57.07 53.90 1qn0 s TYR 46 Cb 0.29 -3.49 -0.00 0.00 -0.40 0.00 0.00 41.96 38.36 1qn0 s TYR 46 CO 0.73 -0.85 0.00 0.00 -1.57 0.00 0.00 175.55 173.86 1qn0 n ALA 47 N 2.86 0.32 -1.77 3.71 0.00 -0.77 -5.12 120.51 119.74 1qn0 n ALA 47 Ca 0.19 -1.67 -0.38 0.00 0.00 0.00 0.00 53.44 51.58 1qn0 n ALA 47 Cb 0.39 0.92 -0.04 0.00 0.00 0.00 0.00 19.45 20.72 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 -3.05 2.85 0.12 0.00 0.00 -1.26 -4.95 107.32 101.04 1qn0 s GLY 48 Ca 0.01 0.77 0.03 0.00 0.00 0.00 0.00 44.72 45.52 1qn0 s GLY 48 CO 0.00 1.25 1.27 0.00 0.00 0.00 0.00 173.10 175.63 1qn0 n THR 50 N -3.49 1.52 -1.54 0.00 -2.24 -1.26 -1.55 114.28 105.73 1qn0 n THR 50 Ca -0.03 -0.77 -0.33 0.00 -2.27 0.00 0.00 64.05 60.65 1qn0 n THR 50 Cb 0.92 -0.39 0.07 0.00 -2.10 0.00 0.00 70.33 68.84 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 -1.96 2.95 0.76 4.28 2.01 -1.16 -3.77 115.64 118.75 1qn0 s THR 51 Ca 0.30 0.42 -0.15 0.00 0.31 0.00 0.00 61.69 62.56 1qn0 s THR 51 Cb 0.23 -2.91 0.02 0.00 0.01 0.00 0.00 72.50 69.84 1qn0 s THR 51 CO 0.09 -0.30 0.88 -0.67 -0.69 0.00 0.00 174.62 173.93 1qn0 n ASP 52 N -2.77 0.04 -0.94 3.53 -0.08 -1.26 -1.34 116.55 113.73 1qn0 n ASP 52 Ca 0.11 0.61 -0.11 0.00 -1.51 0.00 0.00 54.79 53.88 1qn0 n ASP 52 Cb 0.52 -1.37 -0.05 0.00 2.34 0.00 0.00 41.12 42.56 1qn0 n ASP 52 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1qn0 n GLY 53 N 1.12 1.07 0.00 0.27 0.00 -1.26 -4.82 105.19 101.58 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 1.70 -2.02 0.00 8.25 -0.59 -4.63 115.22 117.92 1qn0 n HIS 55 Ca 0.00 -2.03 -0.42 0.00 -0.26 0.00 0.00 57.72 55.02 1qn0 n HIS 55 Cb 0.00 -1.22 -0.00 0.00 1.12 0.00 0.00 29.99 29.89 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 0.54 5.46 -3.77 0.41 2.85 -1.20 -4.03 115.26 115.52 1qn0 n ASN 56 Ca 0.43 -2.99 -0.28 0.00 -0.11 0.00 0.00 54.58 51.62 1qn0 n ASN 56 Cb 0.56 -1.52 -0.16 0.00 1.24 0.00 0.00 39.78 39.90 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 1.14 0.73 -0.98 -1.44 -1.09 -1.23 -5.00 121.20 113.34 1qn0 s ILE 57 Ca 0.46 -0.74 -0.01 0.00 -2.23 0.00 0.00 60.65 58.13 1qn0 s ILE 57 Cb 0.13 -1.22 0.32 0.00 -1.58 0.00 0.00 42.46 40.11 1qn0 s ILE 57 CO -0.04 -0.23 1.65 0.18 -1.23 0.00 0.00 174.94 175.27 1qn0 n LEU 58 N 4.97 6.80 -3.29 2.97 4.77 -1.26 -3.85 117.00 128.10 1qn0 n LEU 58 Ca -0.09 -5.40 -0.08 0.00 -0.03 0.00 0.00 56.01 50.41 1qn0 n LEU 58 Cb 0.46 -1.10 -0.06 0.00 -2.33 0.00 0.00 43.42 40.39 1qn0 n LEU 58 CO 0.14 2.03 -0.05 -0.62 -1.33 0.00 0.00 177.39 177.56 1qn0 s ASP 59 N -1.69 0.19 -0.75 -1.43 -1.08 -1.26 -5.02 116.67 105.63 1qn0 s ASP 59 Ca 0.39 -0.27 -0.05 0.00 -0.52 0.00 0.00 52.55 52.10 1qn0 s ASP 59 Cb 0.18 1.19 -0.04 0.00 -1.46 0.00 0.00 42.92 42.79 1qn0 s ASP 59 CO -0.09 -0.34 1.93 2.29 0.52 0.00 0.00 175.17 179.48 1qn0 n LYS 60 N 5.36 1.74 0.00 4.34 2.85 -1.26 -3.16 118.16 128.03 1qn0 n LYS 60 Ca 0.01 -1.28 0.00 0.00 -1.05 0.00 0.00 58.31 55.98 1qn0 n LYS 60 Cb 0.50 -2.36 0.00 0.00 -0.65 0.00 0.00 35.03 32.51 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 4.29 0.00 -2.74 0.58 0.00 -1.26 -5.15 120.51 116.23 1qn0 n ALA 61 Ca 0.37 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.49 1qn0 n ALA 61 Cb 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.49 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 0.00 4.06 -0.44 0.00 2.15 -1.19 -5.11 116.67 116.14 1qn0 s ASP 62 Ca 0.00 -1.62 0.03 0.00 0.43 0.00 0.00 52.55 51.39 1qn0 s ASP 62 Cb 0.00 0.41 0.16 0.00 -0.30 0.00 0.00 42.92 43.19 1qn0 s ASP 62 CO 0.00 -0.81 0.32 -0.54 -0.17 0.00 0.00 175.17 173.97 1qn0 s LYS 63 N -3.85 1.09 -0.12 4.34 1.02 -1.26 -5.06 119.74 115.89 1qn0 s LYS 63 Ca 0.10 -2.09 -0.33 0.00 0.02 0.00 0.00 55.97 53.66 1qn0 s LYS 63 Cb 0.03 -1.79 0.13 0.00 -0.52 0.00 0.00 37.83 35.68 1qn0 s LYS 63 CO 0.05 -1.30 1.28 -1.54 -0.92 0.00 0.00 175.35 172.92 1qn0 s SER 64 N 0.12 -0.08 -0.28 2.83 1.04 -1.26 -5.01 113.70 111.06 1qn0 s SER 64 Ca 0.26 -0.06 -0.01 0.00 0.48 0.00 0.00 55.95 56.63 1qn0 s SER 64 Cb -0.07 0.12 0.19 0.00 0.10 0.00 0.00 66.02 66.37 1qn0 s SER 64 CO -0.12 -0.21 2.01 0.55 0.98 0.00 0.00 173.24 176.44 1qn0 n VAL 65 N -0.28 2.69 -0.64 5.02 3.14 -1.26 -3.36 118.33 123.64 1qn0 n VAL 65 Ca -0.04 -1.52 0.00 0.00 -2.96 0.00 0.00 64.34 59.82 1qn0 n VAL 65 Cb 0.60 -1.35 0.00 0.00 -1.06 0.00 0.00 33.84 32.04 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 0.46 0.70 -4.73 6.55 4.13 -1.26 -4.84 115.26 116.26 1qn0 n ASN 66 Ca 0.27 -1.33 -0.41 0.00 1.68 0.00 0.00 54.58 54.78 1qn0 n ASN 66 Cb 0.58 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.78 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 -0.33 7.36 -0.09 6.41 1.04 -1.22 -3.48 113.70 123.40 1qn0 s SER 67 Ca 0.00 1.92 0.12 0.00 0.48 0.00 0.00 55.95 58.47 1qn0 s SER 67 Cb 0.00 -2.59 0.51 0.00 0.10 0.00 0.00 66.02 64.04 1qn0 s SER 67 CO 0.00 -0.17 1.36 1.87 0.98 0.00 0.00 173.24 177.28 1qn0 n TRP 68 N 2.79 1.11 -0.08 5.02 -0.00 -1.25 -3.46 117.44 121.57 1qn0 n TRP 68 Ca 0.03 -0.43 0.00 0.00 -0.00 0.00 0.00 57.50 57.10 1qn0 n TRP 68 Cb 0.48 -0.22 0.00 0.00 -0.00 0.00 0.00 31.31 31.57 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 0.66 0.00 -0.08 5.87 4.19 -1.26 -4.61 117.16 121.92 1qn0 n TYR 69 Ca 0.18 0.00 -0.13 0.00 3.31 0.00 0.00 57.90 61.26 1qn0 n TYR 69 Cb 0.70 0.00 -0.07 0.00 0.49 0.00 0.00 39.34 40.46 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 -0.27 0.40 0.00 2.98 4.81 -1.22 -3.55 118.16 121.31 1qn0 n LYS 70 Ca 0.00 0.11 0.03 0.00 -0.87 0.00 0.00 58.31 57.59 1qn0 n LYS 70 Cb 0.02 -1.27 0.15 0.00 0.02 0.00 0.00 35.03 33.95 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 -3.20 1.28 -0.11 3.15 0.24 -1.23 0.19 118.33 118.66 1qn0 n VAL 71 Ca -0.31 0.32 -0.20 0.00 -2.04 0.00 0.00 64.34 62.12 1qn0 n VAL 71 Cb 0.79 -1.21 -0.07 0.00 -1.47 0.00 0.00 33.84 31.89 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 -1.41 1.40 -0.48 3.34 0.31 -1.26 -4.30 118.33 115.93 1qn0 n VAL 72 Ca 0.02 -0.15 -0.07 0.00 -0.01 0.00 0.00 64.34 64.13 1qn0 n VAL 72 Cb 0.07 -2.00 0.20 0.00 -0.91 0.00 0.00 33.84 31.20 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 -4.21 1.87 -2.41 3.52 8.25 -1.05 -3.65 115.22 117.55 1qn0 n HIS 73 Ca -0.35 -1.02 -0.40 0.00 -0.26 0.00 0.00 57.72 55.69 1qn0 n HIS 73 Cb 0.70 -0.59 -0.03 0.00 1.12 0.00 0.00 29.99 31.20 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 -0.60 5.93 0.00 0.41 1.01 0.51 -4.78 116.67 119.15 1qn0 s ASP 74 Ca 0.40 -0.31 0.28 0.00 0.71 0.00 0.00 52.55 53.63 1qn0 s ASP 74 Cb 0.32 -2.55 1.40 0.00 1.01 0.00 0.00 42.92 43.10 1qn0 s ASP 74 CO 0.09 -1.98 1.93 0.00 0.21 0.00 0.00 175.17 175.43 1qn0 n ALA 75 N 10.32 2.62 -2.86 5.23 0.00 -1.26 -4.18 120.51 130.38 1qn0 n ALA 75 Ca 0.10 -0.31 -0.37 0.00 0.00 0.00 0.00 53.44 52.87 1qn0 n ALA 75 Cb 0.50 -1.33 -0.06 0.00 0.00 0.00 0.00 19.45 18.56 1qn0 n ALA 75 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1qn0 s LYS 76 N -1.98 3.40 0.00 0.00 2.20 -1.26 -4.91 119.74 117.18 1qn0 s LYS 76 Ca 0.41 -0.16 0.00 0.00 -0.36 0.00 0.00 55.97 55.86 1qn0 s LYS 76 Cb 0.20 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.37 1qn0 s LYS 76 CO 0.33 0.77 0.00 0.41 -0.36 0.00 0.00 175.35 176.50 1qn0 n GLY 77 N 1.97 -3.37 0.00 5.54 0.00 -1.26 -4.89 105.19 103.18 1qn0 n GLY 77 Ca -0.20 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.68 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 0.01 0.29 0.46 -0.02 0.00 -1.26 -4.84 105.19 99.83 1qn0 n GLY 78 Ca 0.00 -1.73 0.25 0.00 0.00 0.00 0.00 46.02 44.54 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 2.55 -2.86 4.61 0.00 -2.07 -3.40 119.26 118.09 1qn0 h ALA 79 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1qn0 h ALA 79 Cb 0.00 0.06 -0.13 0.00 0.00 0.00 0.00 17.79 17.72 1qn0 h ALA 79 CO 0.00 -1.22 0.05 -1.59 0.00 0.00 0.00 179.25 176.49 1qn0 s LYS 80 N -4.52 1.16 0.00 0.00 -2.85 -1.26 -5.18 119.74 107.09 1qn0 s LYS 80 Ca -0.03 -0.60 0.00 0.00 -1.00 0.00 0.00 55.97 54.34 1qn0 s LYS 80 Cb 0.15 0.52 0.00 0.00 -2.06 0.00 0.00 37.83 36.44 1qn0 s LYS 80 CO 0.51 -0.48 0.00 -0.35 0.10 0.00 0.00 175.35 175.13 1qn0 n PRO 81 N -0.29 -0.26 -1.16 1.78 -0.04 -1.26 -4.87 135.00 128.91 1qn0 n PRO 81 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1qn0 n PRO 81 Cb 0.64 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.10 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 -2.12 0.00 1.18 0.52 -2.24 -1.26 -4.95 114.28 105.41 1qn0 n THR 82 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 1qn0 n THR 82 Cb 0.00 0.00 0.65 0.00 -2.10 0.00 0.00 70.33 68.88 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 -1.33 0.76 0.10 0.00 2.08 -1.24 -4.02 119.36 115.71 1qn0 n ILE 84 Ca 0.11 -0.24 -0.14 0.00 0.56 0.00 0.00 62.75 63.05 1qn0 n ILE 84 Cb 0.23 -1.33 -0.08 0.00 -0.75 0.00 0.00 39.64 37.71 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 -0.25 -1.31 0.46 4.38 0.87 -1.72 1.35 113.55 117.34 1qn0 h SER 85 Ca -0.32 0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.36 1qn0 h SER 85 Cb 1.38 0.48 -0.01 0.00 -0.44 0.00 0.00 62.40 63.81 1qn0 h SER 85 CO -0.13 -0.47 -0.29 0.00 -0.53 0.00 0.00 176.83 175.41 1qn0 h HIS 87 N -0.72 0.39 -0.32 0.00 -0.00 -1.62 0.82 115.15 113.69 1qn0 h HIS 87 Ca -0.05 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.32 1qn0 h HIS 87 Cb 0.59 -0.11 -0.02 0.00 -0.00 0.00 0.00 27.41 27.87 1qn0 h HIS 87 CO -0.10 -0.00 0.17 -0.22 -0.00 0.00 0.00 177.93 177.78 1qn0 h LYS 88 N 0.20 0.46 -0.92 2.45 1.63 0.32 -0.33 116.57 120.37 1qn0 h LYS 88 Ca 0.63 -0.06 0.10 0.00 -0.85 0.00 0.00 60.65 60.47 1qn0 h LYS 88 Cb 2.01 -0.09 -0.08 0.00 -0.60 0.00 0.00 32.23 33.48 1qn0 h LYS 88 CO -0.21 0.40 0.56 0.22 -3.45 0.00 0.00 179.45 176.98 1qn0 h ASP 89 N 0.40 0.84 -0.73 4.20 3.58 0.11 0.47 116.42 125.29 1qn0 h ASP 89 Ca 0.11 0.04 -0.07 0.00 0.42 0.00 0.00 57.03 57.54 1qn0 h ASP 89 Cb 0.08 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 40.97 1qn0 h ASP 89 CO -0.02 0.48 0.20 0.11 -2.88 0.00 0.00 179.24 177.14 1qn0 h LYS 90 N 0.95 1.15 -0.86 0.28 1.79 -0.76 -1.54 116.57 117.57 1qn0 h LYS 90 Ca 0.44 -0.27 -0.21 0.00 -2.18 0.00 0.00 60.65 58.43 1qn0 h LYS 90 Cb 0.36 -0.16 -0.13 0.00 -1.58 0.00 0.00 32.23 30.72 1qn0 h LYS 90 CO -0.23 1.00 0.27 0.00 -1.08 0.00 0.00 179.45 179.41 1qn0 n ALA 91 N -2.45 4.24 -2.49 3.86 0.00 0.08 -4.76 120.51 118.98 1qn0 n ALA 91 Ca 0.06 -1.82 -0.43 0.00 0.00 0.00 0.00 53.44 51.25 1qn0 n ALA 91 Cb 0.25 -1.23 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 1qn0 n ALA 91 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1qn0 s GLY 92 N -0.64 1.14 0.00 0.00 0.00 0.14 -2.89 107.32 105.07 1qn0 s GLY 92 Ca 0.41 -0.47 0.00 0.00 0.00 0.00 0.00 44.72 44.67 1qn0 s GLY 92 CO 0.10 2.60 0.00 1.34 0.00 0.00 0.00 173.10 177.14 1qn0 n ASP 93 N 8.51 0.00 -4.53 1.64 -0.08 -1.26 -4.98 116.55 115.84 1qn0 n ASP 93 Ca 0.13 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.99 1qn0 n ASP 93 Cb 0.49 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.86 1qn0 n ASP 93 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1qn0 s ASP 94 N -1.14 6.25 0.11 1.67 -1.08 -1.14 -4.92 116.67 116.42 1qn0 s ASP 94 Ca 0.00 -0.25 -0.04 0.00 -0.52 0.00 0.00 52.55 51.74 1qn0 s ASP 94 Cb 0.00 -2.24 -0.15 0.00 -1.46 0.00 0.00 42.92 39.07 1qn0 s ASP 94 CO 0.00 -0.48 1.25 0.50 0.52 0.00 0.00 175.17 176.96 1qn0 h LYS 95 N 8.55 0.36 -0.29 4.34 3.64 -1.94 -2.56 116.57 128.68 1qn0 h LYS 95 Ca -0.28 -0.45 -0.07 0.00 -1.27 0.00 0.00 60.65 58.58 1qn0 h LYS 95 Cb 1.12 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 1qn0 h LYS 95 CO 0.76 1.14 -0.11 1.49 -2.27 0.00 0.00 179.45 180.46 1qn0 h GLU 96 N 0.18 0.58 0.00 1.90 4.57 -1.94 -2.36 114.58 117.51 1qn0 h GLU 96 Ca -0.10 -0.24 0.00 0.00 -1.18 0.00 0.00 59.36 57.84 1qn0 h GLU 96 Cb 1.71 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 30.27 1qn0 h GLU 96 CO 0.18 0.80 0.00 1.25 -1.18 0.00 0.00 179.01 180.06 1qn0 h LEU 97 N 0.33 0.00 -2.13 1.64 7.12 -1.91 -2.00 115.31 118.37 1qn0 h LEU 97 Ca 0.07 0.00 -0.06 0.00 0.13 0.00 0.00 57.88 58.01 1qn0 h LEU 97 Cb 0.62 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.71 1qn0 h LEU 97 CO 0.04 0.00 0.08 1.17 -0.13 0.00 0.00 178.44 179.60 1qn0 n LYS 98 N -2.52 1.89 -2.71 1.25 3.00 -0.89 -3.55 118.16 114.64 1qn0 n LYS 98 Ca 0.01 -0.96 -0.07 0.00 -0.00 0.00 0.00 58.31 57.29 1qn0 n LYS 98 Cb 0.23 -1.59 0.04 0.00 0.00 0.00 0.00 35.03 33.72 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 0.11 1.29 0.00 1.64 5.02 -0.75 -4.20 118.16 121.28 1qn0 n LYS 99 Ca 0.13 -3.15 0.00 0.00 -2.02 0.00 0.00 58.31 53.27 1qn0 n LYS 99 Cb 0.67 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 34.50 1qn0 n LYS 99 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1qn0 n LYS 100 N -0.27 0.00 -0.00 1.97 2.85 -1.24 -4.72 118.16 116.76 1qn0 n LYS 100 Ca 0.07 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.21 1qn0 n LYS 100 Cb 0.82 0.00 -0.14 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 0.13 -2.87 -5.58 3.38 -1.89 0.14 115.31 108.61 1qn0 h LEU 101 Ca 0.00 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1qn0 h LEU 101 Cb 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1qn0 h LEU 101 CO 0.00 1.22 -0.01 0.35 0.09 0.00 0.00 178.44 180.08 1qn0 n THR 102 N -3.20 1.21 -2.25 0.22 -2.24 -1.26 -4.85 114.28 101.91 1qn0 n THR 102 Ca -0.18 -1.34 -0.42 0.00 -2.27 0.00 0.00 64.05 59.84 1qn0 n THR 102 Cb 1.04 0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 69.52 1qn0 n THR 102 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1qn0 s GLY 103 N -1.57 2.18 -0.07 3.38 0.00 -1.26 -4.85 107.32 105.14 1qn0 s GLY 103 Ca 0.11 1.04 -0.23 0.00 0.00 0.00 0.00 44.72 45.64 1qn0 s GLY 103 CO 0.01 2.21 0.91 0.00 0.00 0.00 0.00 173.10 176.22 1qn0 s LYS 105 N -3.26 3.06 -0.26 0.00 2.47 -1.26 -4.67 119.74 115.82 1qn0 s LYS 105 Ca -0.14 -0.84 -0.01 0.00 -1.56 0.00 0.00 55.97 53.41 1qn0 s LYS 105 Cb -0.00 -2.35 0.00 0.00 -1.46 0.00 0.00 37.83 34.02 1qn0 s LYS 105 CO 0.56 0.22 0.22 0.41 0.16 0.00 0.00 175.35 176.91 1qn0 n GLY 106 N 3.44 0.50 3.80 5.54 0.00 -0.76 -5.01 105.19 112.71 1qn0 n GLY 106 Ca -0.19 -0.44 -0.25 0.00 0.00 0.00 0.00 46.02 45.14 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 -3.15 4.55 0.00 1.61 1.04 -0.52 -4.68 113.70 112.55 1qn0 s SER 107 Ca 0.07 -1.12 0.15 0.00 0.48 0.00 0.00 55.95 55.52 1qn0 s SER 107 Cb -0.03 -0.17 0.69 0.00 0.10 0.00 0.00 66.02 66.61 1qn0 s SER 107 CO 0.14 -0.73 1.43 0.00 0.98 0.00 0.00 173.24 175.06 1qn0 n ALA 108 N -1.43 1.76 -0.12 5.32 0.00 0.48 -2.49 120.51 124.04 1qn0 n ALA 108 Ca -0.02 -0.06 -0.21 0.00 0.00 0.00 0.00 53.44 53.14 1qn0 n ALA 108 Cb 0.64 -1.24 -0.09 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.24 0.00 4.02 -1.06 -4.51 115.29 113.59 1qn0 s HIS 110 Ca -0.32 -3.16 -0.09 0.00 1.02 0.00 0.00 55.06 52.52 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 0.46 -0.67 1.74 -0.35 1.02 0.00 0.00 174.74 176.94 1qn0 n PRO 111 N 2.51 3.73 0.00 8.40 -0.04 -1.04 -1.43 135.00 147.13 1qn0 n PRO 111 Ca 0.15 -3.76 0.00 0.00 -0.04 0.00 0.00 63.50 59.85 1qn0 n PRO 111 Cb 0.35 -2.86 0.00 0.00 -0.04 0.00 0.00 33.50 30.95 1qn0 n PRO 111 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91