#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 -9.48 -4.68 6.55 9.92 -1.26 -4.73 116.55 112.88 1qn0 n ASP 2 Ca 0.00 1.67 -0.49 0.00 -0.53 0.00 0.00 54.79 55.44 1qn0 n ASP 2 Cb 0.00 -5.25 -0.05 0.00 -0.64 0.00 0.00 41.12 35.18 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 1.92 0.54 -0.99 2.53 3.14 -1.26 -4.88 118.33 119.33 1qn0 n VAL 3 Ca 0.00 -0.10 -0.37 0.00 -2.96 0.00 0.00 64.34 60.92 1qn0 n VAL 3 Cb 0.00 -1.81 0.04 0.00 -1.06 0.00 0.00 33.84 31.01 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 6.44 -0.03 -2.99 1.45 -0.02 -1.26 -4.92 135.00 133.67 1qn0 n PRO 4 Ca 0.23 -0.01 -0.31 0.00 -2.02 0.00 0.00 63.50 61.39 1qn0 n PRO 4 Cb 0.28 -1.04 -0.04 0.00 -0.02 0.00 0.00 33.50 32.68 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 -2.02 3.35 0.83 3.55 0.00 -1.26 -4.69 121.76 121.52 1qn0 s ALA 5 Ca 0.40 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.25 1qn0 s ALA 5 Cb -0.10 -2.72 0.00 0.00 0.00 0.00 0.00 23.12 20.31 1qn0 s ALA 5 CO 0.77 0.15 0.00 -0.40 0.00 0.00 0.00 175.76 176.28 1qn0 n ASP 6 N -0.88 -0.79 0.00 0.00 5.75 -1.26 -4.24 116.55 115.12 1qn0 n ASP 6 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.81 1qn0 n ASP 6 Cb 0.54 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 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 1.10 3.75 6.12 0.00 -1.24 -4.99 105.19 109.94 1qn0 n GLY 7 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1qn0 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qn0 n ALA 8 N 0.79 2.62 -2.54 4.61 0.00 -1.03 -4.84 120.51 120.12 1qn0 n ALA 8 Ca 0.00 0.37 -0.32 0.00 0.00 0.00 0.00 53.44 53.49 1qn0 n ALA 8 Cb 0.00 -2.47 -0.16 0.00 0.00 0.00 0.00 19.45 16.82 1qn0 n ALA 8 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1qn0 s LYS 9 N -0.66 2.41 -0.17 0.00 1.02 -1.26 -0.15 119.74 120.93 1qn0 s LYS 9 Ca 0.63 -0.87 -0.03 0.00 0.02 0.00 0.00 55.97 55.72 1qn0 s LYS 9 Cb -0.49 -2.17 -0.02 0.00 -0.52 0.00 0.00 37.83 34.64 1qn0 s LYS 9 CO 0.50 0.48 -0.07 0.42 -0.92 0.00 0.00 175.35 175.76 1qn0 s ILE 10 N -0.41 3.44 -0.44 2.17 1.01 0.84 -4.98 121.20 122.84 1qn0 s ILE 10 Ca 0.04 -0.50 0.06 0.00 0.00 0.00 0.00 60.65 60.25 1qn0 s ILE 10 Cb -0.12 -2.51 0.18 0.00 0.01 0.00 0.00 42.46 40.03 1qn0 s ILE 10 CO 0.01 0.48 0.70 -0.62 0.00 0.00 0.00 174.94 175.52 1qn0 s ASP 11 N 0.73 -1.40 -0.05 3.58 2.15 -1.26 -2.07 116.67 118.35 1qn0 s ASP 11 Ca -0.03 -1.06 0.06 0.00 0.43 0.00 0.00 52.55 51.95 1qn0 s ASP 11 Cb -0.15 1.81 -0.09 0.00 -0.30 0.00 0.00 42.92 44.20 1qn0 s ASP 11 CO 0.02 -0.12 0.06 0.49 -0.17 0.00 0.00 175.17 175.45 1qn0 n PHE 12 N 3.81 0.00 -3.15 -5.34 3.72 -1.26 -4.91 117.46 110.34 1qn0 n PHE 12 Ca 0.13 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 57.09 1qn0 n PHE 12 Cb 0.57 -0.27 -0.06 0.00 -0.94 0.00 0.00 39.48 38.79 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 -2.25 4.86 0.27 4.37 1.01 -1.26 -4.93 121.20 123.26 1qn0 s ILE 13 Ca -0.03 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.05 1qn0 s ILE 13 Cb 0.03 -4.33 0.00 0.00 0.01 0.00 0.00 42.46 38.16 1qn0 s ILE 13 CO 0.27 -0.86 0.00 0.00 0.00 0.00 0.00 174.94 174.35 1qn0 n ALA 14 N 6.21 -2.98 -2.28 9.38 0.00 -1.26 -4.75 120.51 124.84 1qn0 n ALA 14 Ca -0.07 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1qn0 n ALA 14 Cb 0.45 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1qn0 n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qn0 n GLY 15 N -3.60 3.84 7.00 0.00 0.00 -1.26 -4.94 105.19 106.23 1qn0 n GLY 15 Ca 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 -0.45 0.12 -0.02 0.00 -1.26 -3.59 105.19 99.99 1qn0 n GLY 16 Ca 0.00 -1.12 -0.17 0.00 0.00 0.00 0.00 46.02 44.73 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 0.19 -1.85 1.61 4.39 -2.05 -3.35 114.58 113.51 1qn0 h GLU 17 Ca 0.00 -0.32 -0.41 0.00 0.34 0.00 0.00 59.36 58.97 1qn0 h GLU 17 Cb 0.00 0.12 -0.15 0.00 -0.10 0.00 0.00 28.75 28.62 1qn0 h GLU 17 CO 0.00 0.98 0.32 0.36 -1.16 0.00 0.00 179.01 179.51 1qn0 n LYS 18 N -3.35 2.16 -4.16 2.33 2.85 -1.26 -4.88 118.16 111.85 1qn0 n LYS 18 Ca -0.24 -1.95 -0.34 0.00 -1.05 0.00 0.00 58.31 54.72 1qn0 n LYS 18 Cb 1.05 -1.96 -0.11 0.00 -0.65 0.00 0.00 35.03 33.37 1qn0 n LYS 18 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1qn0 s ASN 19 N 0.48 5.32 -1.01 -5.58 4.22 -1.24 -4.88 114.94 112.25 1qn0 s ASN 19 Ca 0.51 0.01 -0.22 0.00 -2.14 0.00 0.00 52.86 51.01 1qn0 s ASN 19 Cb 0.33 -1.88 0.06 0.00 1.28 0.00 0.00 41.25 41.04 1qn0 s ASN 19 CO -0.13 0.18 1.41 -0.76 -2.04 0.00 0.00 177.10 175.76 1qn0 s LEU 20 N 0.31 3.69 -0.41 3.54 1.43 -1.26 -4.96 118.68 121.03 1qn0 s LEU 20 Ca 0.01 -1.52 -0.22 0.00 -1.03 0.00 0.00 54.13 51.37 1qn0 s LEU 20 Cb -0.13 -2.55 0.02 0.00 0.03 0.00 0.00 46.19 43.56 1qn0 s LEU 20 CO 0.01 -1.46 0.70 -0.89 0.23 0.00 0.00 176.35 174.95 1qn0 s THR 21 N 4.69 4.77 -0.22 5.49 2.01 -1.26 -4.79 115.64 126.34 1qn0 s THR 21 Ca 0.44 0.42 -0.13 0.00 0.31 0.00 0.00 61.69 62.73 1qn0 s THR 21 Cb -0.01 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 1qn0 s THR 21 CO -0.10 -0.55 0.29 -0.69 -0.69 0.00 0.00 174.62 172.89 1qn0 s VAL 22 N 2.98 5.27 0.21 3.82 1.01 -0.88 -4.87 120.40 127.94 1qn0 s VAL 22 Ca 0.26 0.48 -0.15 0.00 0.00 0.00 0.00 61.98 62.57 1qn0 s VAL 22 Cb -0.13 -3.63 -0.08 0.00 0.00 0.00 0.00 36.38 32.54 1qn0 s VAL 22 CO 0.19 0.29 0.62 -0.69 0.00 0.00 0.00 175.10 175.52 1qn0 s VAL 23 N 1.20 4.77 0.02 2.92 1.01 -1.26 -0.11 120.40 128.95 1qn0 s VAL 23 Ca 0.14 0.89 0.01 0.00 0.00 0.00 0.00 61.98 63.02 1qn0 s VAL 23 Cb -0.14 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 1qn0 s VAL 23 CO 0.06 0.10 -0.04 0.12 0.00 0.00 0.00 175.10 175.35 1qn0 s PHE 24 N -1.63 0.32 0.00 5.22 5.36 0.79 -4.95 117.98 123.09 1qn0 s PHE 24 Ca 0.44 -0.41 0.03 0.00 -0.96 0.00 0.00 56.93 56.02 1qn0 s PHE 24 Cb -0.14 -0.21 -0.01 0.00 -0.34 0.00 0.00 43.02 42.32 1qn0 s PHE 24 CO 0.20 -0.13 -0.09 1.21 -1.46 0.00 0.00 175.22 174.95 1qn0 s ASN 25 N -1.18 1.05 0.27 6.13 2.47 -1.26 -2.45 114.94 119.98 1qn0 s ASN 25 Ca -0.11 -0.21 0.22 0.00 0.42 0.00 0.00 52.86 53.18 1qn0 s ASN 25 Cb -0.08 -0.10 0.10 0.00 -1.45 0.00 0.00 41.25 39.72 1qn0 s ASN 25 CO -0.00 0.08 1.23 0.45 -3.72 0.00 0.00 177.10 175.13 1qn0 h HIS 26 N 5.73 0.00 -0.07 0.43 3.86 -1.88 -3.21 115.15 120.00 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 1.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.65 1qn0 h HIS 26 CO 0.43 0.04 0.00 0.43 0.86 0.00 0.00 177.93 179.70 1qn0 n SER 27 N -2.84 0.51 -0.11 2.45 7.64 -1.26 -2.72 113.62 117.30 1qn0 n SER 27 Ca 0.01 -1.74 -0.15 0.00 1.01 0.00 0.00 58.87 58.00 1qn0 n SER 27 Cb 0.56 -0.05 -0.10 0.00 -1.01 0.00 0.00 64.21 63.62 1qn0 n SER 27 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1qn0 n THR 28 N -0.34 1.25 -1.04 0.44 -1.04 -1.21 -4.43 114.28 107.91 1qn0 n THR 28 Ca 0.09 -0.47 -0.04 0.00 -2.04 0.00 0.00 64.05 61.59 1qn0 n THR 28 Cb 0.12 -1.29 0.32 0.00 -1.82 0.00 0.00 70.33 67.65 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 -3.17 2.37 0.31 -1.42 8.25 -1.22 -4.46 115.22 115.89 1qn0 n HIS 29 Ca -0.39 -1.16 0.17 0.00 -0.26 0.00 0.00 57.72 56.09 1qn0 n HIS 29 Cb 0.91 -0.66 0.93 0.00 1.12 0.00 0.00 29.99 32.28 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 2.77 0.00 -0.07 -0.41 2.10 -1.72 1.71 116.57 120.94 1qn0 h LYS 30 Ca 0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.88 1qn0 h LYS 30 Cb 2.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.61 1qn0 h LYS 30 CO 0.70 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.75 1qn0 n ASP 31 N -2.85 1.33 -4.35 7.07 5.68 -1.26 -4.78 116.55 117.39 1qn0 n ASP 31 Ca -0.02 -1.54 -0.33 0.00 -0.50 0.00 0.00 54.79 52.41 1qn0 n ASP 31 Cb 0.23 -0.04 -0.15 0.00 -1.14 0.00 0.00 41.12 40.02 1qn0 n ASP 31 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1qn0 s VAL 32 N -1.91 2.78 1.01 2.12 1.01 0.58 -5.11 120.40 120.88 1qn0 s VAL 32 Ca 0.36 -0.77 -0.14 0.00 0.00 0.00 0.00 61.98 61.42 1qn0 s VAL 32 Cb 0.19 -2.13 0.08 0.00 0.00 0.00 0.00 36.38 34.53 1qn0 s VAL 32 CO 0.30 0.54 0.40 0.29 0.00 0.00 0.00 175.10 176.63 1qn0 n LYS 33 N 3.30 -0.83 0.02 2.72 5.02 -1.26 -4.89 118.16 122.23 1qn0 n LYS 33 Ca -0.18 -0.21 -0.19 0.00 -2.02 0.00 0.00 58.31 55.71 1qn0 n LYS 33 Cb 0.53 -1.88 -0.11 0.00 -0.02 0.00 0.00 35.03 33.54 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 -4.09 0.00 0.23 0.00 5.68 -1.26 -0.36 116.55 116.76 1qn0 n ASP 35 Ca -0.11 0.44 0.16 0.00 -0.50 0.00 0.00 54.79 54.78 1qn0 n ASP 35 Cb 0.76 -0.46 0.75 0.00 -1.14 0.00 0.00 41.12 41.03 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 -1.85 -3.34 116.42 111.92 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 0.14 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.15 1qn0 h ASP 36 CO 0.00 0.00 -0.40 0.00 -1.61 0.00 0.00 179.24 177.23 1qn0 n HIS 38 N -2.69 3.75 -1.05 0.00 8.25 0.52 -4.75 115.22 119.25 1qn0 n HIS 38 Ca 0.00 -2.49 -0.18 0.00 -0.26 0.00 0.00 57.72 54.79 1qn0 n HIS 38 Cb 0.20 -2.52 -0.01 0.00 1.12 0.00 0.00 29.99 28.77 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 8.99 1.27 -4.24 4.41 -0.00 -1.26 -4.31 115.22 120.08 1qn0 n HIS 39 Ca 0.49 -1.83 -0.32 0.00 -0.00 0.00 0.00 57.72 56.06 1qn0 n HIS 39 Cb 0.44 -1.10 -0.08 0.00 -0.00 0.00 0.00 29.99 29.24 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 -1.36 2.76 0.60 -1.40 1.11 -1.26 -5.09 119.66 115.03 1qn0 s GLN 40 Ca 0.40 -0.65 -0.19 0.00 0.01 0.00 0.00 55.36 54.93 1qn0 s GLN 40 Cb 0.27 -2.66 -0.04 0.00 -1.01 0.00 0.00 33.01 29.58 1qn0 s GLN 40 CO -0.07 0.61 1.15 -0.35 0.01 0.00 0.00 175.29 176.63 1qn0 n PRO 41 N 1.19 1.12 -0.87 2.91 -0.04 -1.26 -4.26 135.00 133.77 1qn0 n PRO 41 Ca -0.13 0.43 -0.36 0.00 -0.04 0.00 0.00 63.50 63.39 1qn0 n PRO 41 Cb 0.52 -2.36 0.08 0.00 -0.04 0.00 0.00 33.50 31.71 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 1.07 -2.81 4.64 0.55 0.00 -1.26 -2.01 105.19 105.37 1qn0 n GLY 42 Ca 0.14 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1qn0 n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qn0 n ASP 43 N 1.57 0.00 -0.97 1.61 8.00 -1.26 -4.17 116.55 121.33 1qn0 n ASP 43 Ca -0.01 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.48 1qn0 n ASP 43 Cb 0.71 0.00 0.16 0.00 -0.02 0.00 0.00 41.12 41.97 1qn0 n ASP 43 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1qn0 n LYS 44 N 0.00 2.04 -0.25 -1.24 3.00 -1.10 -4.81 118.16 115.79 1qn0 n LYS 44 Ca 0.00 -3.49 0.04 0.00 -0.00 0.00 0.00 58.31 54.86 1qn0 n LYS 44 Cb 0.00 -1.74 0.14 0.00 0.00 0.00 0.00 35.03 33.43 1qn0 n LYS 44 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 1qn0 h GLN 45 N 1.29 0.07 -3.79 1.64 4.15 -1.57 -3.12 115.11 113.79 1qn0 h GLN 45 Ca 0.08 -0.00 -0.78 0.00 0.77 0.00 0.00 58.65 58.71 1qn0 h GLN 45 Cb 1.15 -0.01 -0.27 0.00 0.21 0.00 0.00 27.48 28.56 1qn0 h GLN 45 CO 0.18 0.04 0.09 0.71 -1.93 0.00 0.00 178.83 177.93 1qn0 s TYR 46 N -6.15 3.78 0.29 3.99 2.02 -1.26 -4.08 117.35 115.94 1qn0 s TYR 46 Ca -0.14 -2.11 0.02 0.00 -0.37 0.00 0.00 57.07 54.47 1qn0 s TYR 46 Cb 0.22 -3.77 -0.01 0.00 -0.40 0.00 0.00 41.96 38.00 1qn0 s TYR 46 CO 0.75 -0.97 0.08 0.00 -1.57 0.00 0.00 175.55 173.84 1qn0 n ALA 47 N 3.82 0.37 -1.76 3.71 0.00 -1.18 -5.13 120.51 120.34 1qn0 n ALA 47 Ca 0.14 -1.44 -0.40 0.00 0.00 0.00 0.00 53.44 51.75 1qn0 n ALA 47 Cb 0.46 0.93 -0.05 0.00 0.00 0.00 0.00 19.45 20.78 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 -2.74 3.09 0.21 0.00 0.00 -1.26 -4.94 107.32 101.67 1qn0 s GLY 48 Ca 0.11 0.77 0.07 0.00 0.00 0.00 0.00 44.72 45.66 1qn0 s GLY 48 CO 0.08 1.35 1.48 0.00 0.00 0.00 0.00 173.10 176.01 1qn0 n THR 50 N -3.69 1.64 -1.81 0.00 -2.24 -1.26 -1.56 114.28 105.36 1qn0 n THR 50 Ca -0.02 -0.80 -0.32 0.00 -2.27 0.00 0.00 64.05 60.64 1qn0 n THR 50 Cb 0.73 -0.49 0.04 0.00 -2.10 0.00 0.00 70.33 68.51 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 -1.85 3.63 0.77 4.28 2.01 -1.06 -4.10 115.64 119.32 1qn0 s THR 51 Ca 0.28 0.70 -0.15 0.00 0.31 0.00 0.00 61.69 62.84 1qn0 s THR 51 Cb 0.22 -3.26 0.02 0.00 0.01 0.00 0.00 72.50 69.50 1qn0 s THR 51 CO 0.07 -0.52 0.89 -0.67 -0.69 0.00 0.00 174.62 173.70 1qn0 n ASP 52 N -2.45 0.04 -1.81 3.53 2.03 -1.26 -1.65 116.55 114.98 1qn0 n ASP 52 Ca 0.09 0.60 -0.16 0.00 0.52 0.00 0.00 54.79 55.83 1qn0 n ASP 52 Cb 0.53 -1.38 -0.05 0.00 -0.72 0.00 0.00 41.12 39.50 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 1.10 0.83 0.00 0.27 0.00 -1.26 -4.81 105.19 101.32 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 2.29 -2.00 0.00 8.25 -0.60 -4.49 115.22 118.66 1qn0 n HIS 55 Ca 0.00 -2.13 -0.41 0.00 -0.26 0.00 0.00 57.72 54.92 1qn0 n HIS 55 Cb 0.00 -1.29 -0.00 0.00 1.12 0.00 0.00 29.99 29.82 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 0.17 6.53 -3.81 0.41 2.85 -1.22 -3.99 115.26 116.20 1qn0 n ASN 56 Ca 0.51 -3.02 -0.29 0.00 -0.11 0.00 0.00 54.58 51.68 1qn0 n ASN 56 Cb 0.39 -1.47 -0.16 0.00 1.24 0.00 0.00 39.78 39.78 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 0.38 0.91 -0.67 -1.44 -1.09 -1.20 -5.00 121.20 113.08 1qn0 s ILE 57 Ca 0.50 -0.83 -0.02 0.00 -2.23 0.00 0.00 60.65 58.07 1qn0 s ILE 57 Cb 0.14 -1.33 0.44 0.00 -1.58 0.00 0.00 42.46 40.13 1qn0 s ILE 57 CO -0.05 -0.18 2.00 0.18 -1.23 0.00 0.00 174.94 175.66 1qn0 n LEU 58 N 4.90 7.58 -3.59 2.97 4.77 -1.26 -3.80 117.00 128.57 1qn0 n LEU 58 Ca -0.10 -4.37 -0.28 0.00 -0.03 0.00 0.00 56.01 51.24 1qn0 n LEU 58 Cb 0.46 -0.96 -0.16 0.00 -2.33 0.00 0.00 43.42 40.43 1qn0 n LEU 58 CO 0.15 1.53 -0.33 -0.62 -1.33 0.00 0.00 177.39 176.78 1qn0 s ASP 59 N -1.84 3.06 -0.71 -1.43 -1.08 -1.26 -4.90 116.67 108.51 1qn0 s ASP 59 Ca 0.63 -1.01 -0.05 0.00 -0.52 0.00 0.00 52.55 51.60 1qn0 s ASP 59 Cb 0.50 -0.35 -0.05 0.00 -1.46 0.00 0.00 42.92 41.57 1qn0 s ASP 59 CO -0.05 -0.40 1.91 2.29 0.52 0.00 0.00 175.17 179.45 1qn0 n LYS 60 N 5.23 1.67 -2.66 4.34 0.00 -1.26 -3.30 118.16 122.18 1qn0 n LYS 60 Ca -0.06 -1.24 -0.03 0.00 -0.00 0.00 0.00 58.31 56.97 1qn0 n LYS 60 Cb 0.45 -2.33 0.05 0.00 -0.00 0.00 0.00 35.03 33.19 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 4.26 -2.61 -2.49 0.58 0.00 -1.26 -5.12 120.51 113.87 1qn0 n ALA 61 Ca 0.35 -0.45 -0.25 0.00 0.00 0.00 0.00 53.44 53.09 1qn0 n ALA 61 Cb 0.12 -1.96 -0.08 0.00 0.00 0.00 0.00 19.45 17.53 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 -0.22 4.27 -0.04 0.00 2.15 -1.21 -5.05 116.67 116.57 1qn0 s ASP 62 Ca 0.12 -1.13 0.03 0.00 0.43 0.00 0.00 52.55 52.00 1qn0 s ASP 62 Cb 0.18 -0.47 -0.05 0.00 -0.30 0.00 0.00 42.92 42.27 1qn0 s ASP 62 CO -0.10 -0.47 0.02 1.17 -0.17 0.00 0.00 175.17 175.61 1qn0 n LYS 63 N -1.13 3.26 -0.87 4.34 4.81 -1.26 -5.01 118.16 122.31 1qn0 n LYS 63 Ca -0.02 -0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.10 1qn0 n LYS 63 Cb 0.65 -1.10 0.15 0.00 0.02 0.00 0.00 35.03 34.75 1qn0 n LYS 63 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1qn0 s SER 64 N -3.45 3.25 -0.21 3.14 0.01 -1.26 -4.87 113.70 110.32 1qn0 s SER 64 Ca -0.02 2.01 -0.01 0.00 1.31 0.00 0.00 55.95 59.23 1qn0 s SER 64 Cb 0.01 -2.52 0.10 0.00 0.21 0.00 0.00 66.02 63.82 1qn0 s SER 64 CO 0.16 -2.86 2.20 0.55 0.41 0.00 0.00 173.24 173.70 1qn0 n VAL 65 N -4.07 2.60 -0.60 3.43 3.14 -1.26 -3.47 118.33 118.11 1qn0 n VAL 65 Ca 0.10 -1.41 0.02 0.00 -2.96 0.00 0.00 64.34 60.09 1qn0 n VAL 65 Cb 0.53 -1.46 0.03 0.00 -1.06 0.00 0.00 33.84 31.87 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 0.91 1.42 -4.73 6.55 4.13 -1.26 -4.81 115.26 117.48 1qn0 n ASN 66 Ca 0.23 -1.96 -0.41 0.00 1.68 0.00 0.00 54.58 54.12 1qn0 n ASN 66 Cb 0.58 -0.10 -0.03 0.00 -1.54 0.00 0.00 39.78 38.69 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 -1.11 7.19 -0.13 6.41 1.04 -1.23 -3.25 113.70 122.63 1qn0 s SER 67 Ca 0.06 2.04 0.15 0.00 0.48 0.00 0.00 55.95 58.67 1qn0 s SER 67 Cb 0.05 -2.59 0.64 0.00 0.10 0.00 0.00 66.02 64.22 1qn0 s SER 67 CO 0.01 -0.33 1.52 1.87 0.98 0.00 0.00 173.24 177.29 1qn0 n TRP 68 N 3.09 1.42 -0.12 5.02 -0.00 -1.25 -3.49 117.44 122.11 1qn0 n TRP 68 Ca 0.05 -0.54 0.00 0.00 -0.00 0.00 0.00 57.50 57.02 1qn0 n TRP 68 Cb 0.47 -0.28 0.00 0.00 -0.00 0.00 0.00 31.31 31.49 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 0.83 0.00 -0.08 5.87 4.19 -1.26 -4.64 117.16 122.07 1qn0 n TYR 69 Ca 0.22 0.00 -0.13 0.00 3.31 0.00 0.00 57.90 61.31 1qn0 n TYR 69 Cb 0.86 0.00 -0.07 0.00 0.49 0.00 0.00 39.34 40.62 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 -0.33 0.39 0.00 2.98 4.81 -1.24 -3.63 118.16 121.13 1qn0 n LYS 70 Ca 0.00 0.11 0.03 0.00 -0.87 0.00 0.00 58.31 57.58 1qn0 n LYS 70 Cb 0.03 -1.26 0.14 0.00 0.02 0.00 0.00 35.03 33.96 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 -3.17 1.32 -0.12 3.15 0.24 -1.23 0.14 118.33 118.67 1qn0 n VAL 71 Ca -0.29 0.33 -0.19 0.00 -2.04 0.00 0.00 64.34 62.14 1qn0 n VAL 71 Cb 0.78 -1.22 -0.10 0.00 -1.47 0.00 0.00 33.84 31.83 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 -1.42 1.33 -1.43 3.34 0.31 -1.26 -4.43 118.33 114.77 1qn0 n VAL 72 Ca 0.02 -0.45 -0.22 0.00 -0.01 0.00 0.00 64.34 63.68 1qn0 n VAL 72 Cb 0.06 -1.49 0.13 0.00 -0.91 0.00 0.00 33.84 31.64 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 -3.49 2.55 -3.69 3.52 8.25 -0.77 -3.79 115.22 117.81 1qn0 n HIS 73 Ca -0.43 -2.21 -0.37 0.00 -0.26 0.00 0.00 57.72 54.45 1qn0 n HIS 73 Cb 0.90 -0.90 -0.10 0.00 1.12 0.00 0.00 29.99 31.01 1qn0 n HIS 73 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1qn0 s ASP 74 N -2.12 5.92 0.00 0.41 -1.08 0.38 -4.90 116.67 115.28 1qn0 s ASP 74 Ca 0.55 0.03 0.22 0.00 -0.52 0.00 0.00 52.55 52.83 1qn0 s ASP 74 Cb 0.46 -2.07 0.57 0.00 -1.46 0.00 0.00 42.92 40.42 1qn0 s ASP 74 CO 0.03 0.03 1.48 0.00 0.52 0.00 0.00 175.17 177.23 1qn0 n ALA 75 N 4.53 2.40 -2.44 3.66 0.00 -1.26 -4.35 120.51 123.04 1qn0 n ALA 75 Ca -0.15 -1.13 -0.30 0.00 0.00 0.00 0.00 53.44 51.86 1qn0 n ALA 75 Cb 0.52 -0.93 -0.04 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.21 3.70 0.00 0.00 2.20 -1.26 -4.92 119.74 118.24 1qn0 s LYS 76 Ca 0.44 0.14 0.00 0.00 -0.36 0.00 0.00 55.97 56.19 1qn0 s LYS 76 Cb 0.23 -2.61 0.00 0.00 -1.51 0.00 0.00 37.83 33.95 1qn0 s LYS 76 CO 0.31 0.20 0.00 0.41 -0.36 0.00 0.00 175.35 175.92 1qn0 n GLY 77 N -0.78 -2.18 0.00 5.54 0.00 -1.26 -4.76 105.19 101.75 1qn0 n GLY 77 Ca -0.01 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 2.60 0.14 0.63 -0.02 0.00 -1.26 -4.85 105.19 102.43 1qn0 n GLY 78 Ca 0.00 -1.74 0.43 0.00 0.00 0.00 0.00 46.02 44.71 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 3.47 -1.82 4.61 0.00 -2.03 -3.39 119.26 120.10 1qn0 h ALA 79 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1qn0 h ALA 79 Cb 0.00 0.12 -0.21 0.00 0.00 0.00 0.00 17.79 17.70 1qn0 h ALA 79 CO 0.00 -2.05 0.34 -1.59 0.00 0.00 0.00 179.25 175.95 1qn0 s LYS 80 N -4.76 0.86 0.31 0.00 -2.85 -1.26 -5.08 119.74 106.95 1qn0 s LYS 80 Ca -0.04 0.24 -0.05 0.00 -1.00 0.00 0.00 55.97 55.11 1qn0 s LYS 80 Cb 0.23 0.40 0.08 0.00 -2.06 0.00 0.00 37.83 36.48 1qn0 s LYS 80 CO 0.76 -0.26 0.19 -0.35 0.10 0.00 0.00 175.35 175.79 1qn0 n PRO 81 N 0.90 -2.53 -1.12 1.78 -0.04 -1.26 -4.93 135.00 127.79 1qn0 n PRO 81 Ca -0.15 -0.31 0.00 0.00 -0.04 0.00 0.00 63.50 62.99 1qn0 n PRO 81 Cb 0.57 -0.40 0.00 0.00 -0.04 0.00 0.00 33.50 33.63 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 -3.56 0.00 1.82 0.52 -2.24 -1.26 -4.97 114.28 104.59 1qn0 n THR 82 Ca 0.03 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.94 1qn0 n THR 82 Cb 0.13 0.00 0.68 0.00 -2.10 0.00 0.00 70.33 69.04 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 -0.57 0.40 0.20 0.00 2.08 -1.26 -4.13 119.36 116.08 1qn0 n ILE 84 Ca 0.19 -0.13 -0.15 0.00 0.56 0.00 0.00 62.75 63.21 1qn0 n ILE 84 Cb 0.16 -1.04 -0.09 0.00 -0.75 0.00 0.00 39.64 37.92 1qn0 n ILE 84 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 1qn0 h SER 85 N -0.09 -1.28 0.80 4.38 0.02 -1.76 1.83 113.55 117.45 1qn0 h SER 85 Ca -0.17 0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 60.86 1qn0 h SER 85 Cb 1.21 0.44 0.01 0.00 0.14 0.00 0.00 62.40 64.20 1qn0 h SER 85 CO -0.06 -0.55 -0.38 0.00 -1.14 0.00 0.00 176.83 174.70 1qn0 h HIS 87 N -1.16 0.88 -0.06 0.00 -0.00 -1.69 0.70 115.15 113.82 1qn0 h HIS 87 Ca -0.11 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.30 1qn0 h HIS 87 Cb 0.83 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 28.00 1qn0 h HIS 87 CO -0.01 -0.11 0.02 0.87 -0.00 0.00 0.00 177.93 178.70 1qn0 h LYS 88 N 0.35 0.05 -0.98 2.45 1.79 0.34 0.62 116.57 121.19 1qn0 h LYS 88 Ca 0.71 -0.00 0.12 0.00 -2.18 0.00 0.00 60.65 59.30 1qn0 h LYS 88 Cb 1.67 -0.01 -0.09 0.00 -1.58 0.00 0.00 32.23 32.22 1qn0 h LYS 88 CO -0.53 0.04 0.61 0.22 -1.08 0.00 0.00 179.45 178.70 1qn0 h ASP 89 N 0.06 0.88 -0.42 0.86 3.58 0.12 0.93 116.42 122.43 1qn0 h ASP 89 Ca 0.03 0.05 -0.03 0.00 0.42 0.00 0.00 57.03 57.50 1qn0 h ASP 89 Cb 0.01 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 40.92 1qn0 h ASP 89 CO -0.02 0.46 0.16 0.11 -2.88 0.00 0.00 179.24 177.06 1qn0 h LYS 90 N 0.95 0.64 -0.78 0.28 1.79 -0.31 -1.55 116.57 117.59 1qn0 h LYS 90 Ca 0.49 -0.12 -0.04 0.00 -2.18 0.00 0.00 60.65 58.80 1qn0 h LYS 90 Cb 0.51 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 1qn0 h LYS 90 CO -0.27 0.61 0.05 0.00 -1.08 0.00 0.00 179.45 178.75 1qn0 n ALA 91 N -2.32 3.47 -1.79 3.86 0.00 0.13 -4.61 120.51 119.25 1qn0 n ALA 91 Ca 0.00 -1.23 -0.40 0.00 0.00 0.00 0.00 53.44 51.81 1qn0 n ALA 91 Cb 0.16 -1.10 -0.01 0.00 0.00 0.00 0.00 19.45 18.50 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 0.27 4.83 0.00 0.00 0.00 0.30 -4.06 105.19 106.53 1qn0 n GLY 92 Ca 0.19 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.36 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 2.74 0.00 -4.69 1.61 5.75 -1.26 -5.01 116.55 115.69 1qn0 n ASP 93 Ca 0.65 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 55.01 1qn0 n ASP 93 Cb 0.26 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.32 1qn0 n ASP 93 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1qn0 s ASP 94 N 0.00 7.18 0.11 -1.12 -1.08 -1.26 -4.92 116.67 115.58 1qn0 s ASP 94 Ca 0.00 1.62 -0.13 0.00 -0.52 0.00 0.00 52.55 53.52 1qn0 s ASP 94 Cb 0.00 -2.56 -0.14 0.00 -1.46 0.00 0.00 42.92 38.77 1qn0 s ASP 94 CO 0.00 -0.50 1.33 0.11 0.52 0.00 0.00 175.17 176.64 1qn0 h LYS 95 N 7.22 0.82 0.00 4.34 1.57 -1.98 -2.73 116.57 125.81 1qn0 h LYS 95 Ca -0.32 -0.61 -0.03 0.00 -1.87 0.00 0.00 60.65 57.83 1qn0 h LYS 95 Cb 1.15 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.57 1qn0 h LYS 95 CO 0.87 1.23 -0.12 1.49 -0.57 0.00 0.00 179.45 182.34 1qn0 h GLU 96 N 0.57 0.00 0.00 3.15 4.57 -1.96 -0.41 114.58 120.50 1qn0 h GLU 96 Ca -0.03 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.11 1qn0 h GLU 96 Cb 1.31 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.89 1qn0 h GLU 96 CO 0.14 0.12 -0.17 1.25 -1.18 0.00 0.00 179.01 179.17 1qn0 h LEU 97 N 0.00 0.00 -1.94 1.64 7.12 -1.87 -3.03 115.31 117.24 1qn0 h LEU 97 Ca -0.00 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 57.98 1qn0 h LEU 97 Cb 0.34 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.45 1qn0 h LEU 97 CO 0.02 0.17 0.04 1.17 -0.13 0.00 0.00 178.44 179.71 1qn0 n LYS 98 N -3.15 2.01 -2.71 1.25 4.81 -0.16 -3.36 118.16 116.85 1qn0 n LYS 98 Ca 0.03 -0.94 -0.06 0.00 -0.87 0.00 0.00 58.31 56.47 1qn0 n LYS 98 Cb 0.59 -1.66 0.05 0.00 0.02 0.00 0.00 35.03 34.03 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 0.15 1.32 0.00 1.64 4.76 -1.14 -4.04 118.16 120.84 1qn0 n LYS 99 Ca 0.10 -3.14 0.00 0.00 -2.87 0.00 0.00 58.31 52.40 1qn0 n LYS 99 Cb 0.60 -1.19 0.00 0.00 -1.84 0.00 0.00 35.03 32.60 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 -0.31 0.00 -0.03 1.97 2.85 -1.24 -4.71 118.16 116.70 1qn0 n LYS 100 Ca 0.07 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.20 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 1.28 -0.05 0.00 0.00 177.40 178.63 1qn0 n LEU 101 N -1.64 1.39 0.00 -5.58 4.77 -1.21 -0.89 117.00 113.83 1qn0 n LEU 101 Ca 0.00 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1qn0 n LEU 101 Cb 0.00 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1qn0 n LEU 101 CO 0.00 0.57 0.43 0.35 -1.33 0.00 0.00 177.39 177.41 1qn0 n THR 102 N -3.14 0.73 -1.75 -5.08 -2.24 -1.26 -4.88 114.28 96.66 1qn0 n THR 102 Ca -0.25 -0.83 -0.43 0.00 -2.27 0.00 0.00 64.05 60.27 1qn0 n THR 102 Cb 1.06 0.65 -0.03 0.00 -2.10 0.00 0.00 70.33 69.91 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 -0.73 0.88 0.11 3.38 0.00 -1.26 -4.86 107.32 104.84 1qn0 s GLY 103 Ca 0.00 0.80 -0.25 0.00 0.00 0.00 0.00 44.72 45.27 1qn0 s GLY 103 CO 0.00 3.54 1.66 0.00 0.00 0.00 0.00 173.10 178.30 1qn0 s LYS 105 N -6.11 1.93 -0.23 0.00 -2.85 -1.26 -4.71 119.74 106.52 1qn0 s LYS 105 Ca -0.15 -0.68 -0.01 0.00 -1.00 0.00 0.00 55.97 54.13 1qn0 s LYS 105 Cb 0.08 -1.68 0.00 0.00 -2.06 0.00 0.00 37.83 34.17 1qn0 s LYS 105 CO 0.66 0.29 0.19 0.41 0.10 0.00 0.00 175.35 177.00 1qn0 n GLY 106 N 3.05 0.44 3.52 0.59 0.00 -0.27 -5.01 105.19 107.52 1qn0 n GLY 106 Ca -0.18 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.10 1qn0 n GLY 106 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qn0 n SER 107 N -0.60 3.28 0.00 1.61 3.41 -0.69 -4.67 113.62 115.96 1qn0 n SER 107 Ca -0.03 -3.16 0.11 0.00 -0.26 0.00 0.00 58.87 55.52 1qn0 n SER 107 Cb 0.52 0.37 0.58 0.00 -0.26 0.00 0.00 64.21 65.42 1qn0 n SER 107 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qn0 n ALA 108 N -1.42 2.18 -0.10 7.33 0.00 -0.07 -2.62 120.51 125.81 1qn0 n ALA 108 Ca -0.20 -0.11 -0.21 0.00 0.00 0.00 0.00 53.44 52.92 1qn0 n ALA 108 Cb 0.62 -1.35 -0.08 0.00 0.00 0.00 0.00 19.45 18.64 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 -2.38 3.55 -1.23 0.00 4.02 -1.17 -4.46 115.29 113.62 1qn0 s HIS 110 Ca -0.28 -3.21 -0.08 0.00 1.02 0.00 0.00 55.06 52.51 1qn0 s HIS 110 Cb 0.10 -2.86 0.20 0.00 -1.02 0.00 0.00 32.58 29.00 1qn0 s HIS 110 CO 0.37 -0.64 1.80 -0.35 1.02 0.00 0.00 174.74 176.95 1qn0 n PRO 111 N 2.36 3.91 0.00 8.40 -0.04 -1.08 -1.12 135.00 147.43 1qn0 n PRO 111 Ca 0.16 -3.80 0.00 0.00 -0.04 0.00 0.00 63.50 59.82 1qn0 n PRO 111 Cb 0.35 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.01 1qn0 n PRO 111 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89