#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 -3.20 -4.68 6.55 2.03 -1.26 -4.84 116.55 111.15 1qn0 n ASP 2 Ca 0.00 0.26 -0.49 0.00 0.52 0.00 0.00 54.79 55.08 1qn0 n ASP 2 Cb 0.00 -1.68 -0.05 0.00 -0.72 0.00 0.00 41.12 38.67 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 0.31 0.53 -0.97 5.18 3.14 -1.26 -4.88 118.33 120.38 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 -1.80 0.05 0.00 -1.06 0.00 0.00 33.84 31.03 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 6.37 -0.10 -3.09 1.45 -0.02 -1.26 -4.92 135.00 133.43 1qn0 n PRO 4 Ca 0.23 -0.03 -0.32 0.00 -2.02 0.00 0.00 63.50 61.37 1qn0 n PRO 4 Cb 0.28 -1.09 -0.05 0.00 -0.02 0.00 0.00 33.50 32.62 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 -2.04 3.37 0.78 3.55 0.00 -1.26 -4.71 121.76 121.45 1qn0 s ALA 5 Ca 0.40 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.28 1qn0 s ALA 5 Cb -0.08 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.35 1qn0 s ALA 5 CO 0.75 0.25 0.00 -0.40 0.00 0.00 0.00 175.76 176.36 1qn0 n ASP 6 N -0.63 -1.21 -1.43 0.00 5.75 -1.26 -4.36 116.55 113.41 1qn0 n ASP 6 Ca 0.03 0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 54.69 1qn0 n ASP 6 Cb 0.53 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 -0.03 3.77 6.12 0.00 -1.26 -5.00 105.19 108.79 1qn0 n GLY 7 Ca 0.00 -0.38 -0.39 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 -2.68 3.49 -0.10 4.61 0.00 -1.06 -4.97 121.76 121.05 1qn0 s ALA 8 Ca 0.06 0.03 0.01 0.00 0.00 0.00 0.00 51.96 52.06 1qn0 s ALA 8 Cb -0.03 -2.74 -0.02 0.00 0.00 0.00 0.00 23.12 20.33 1qn0 s ALA 8 CO 0.08 0.18 -0.13 0.15 0.00 0.00 0.00 175.76 176.04 1qn0 s LYS 9 N -0.23 3.10 -0.18 0.00 1.02 -1.26 -0.52 119.74 121.66 1qn0 s LYS 9 Ca 0.31 -0.67 -0.03 0.00 0.02 0.00 0.00 55.97 55.60 1qn0 s LYS 9 Cb -0.18 -2.57 -0.01 0.00 -0.52 0.00 0.00 37.83 34.55 1qn0 s LYS 9 CO 0.17 0.37 -0.06 0.42 -0.92 0.00 0.00 175.35 175.32 1qn0 s ILE 10 N -0.04 3.39 -0.38 2.17 1.01 0.19 -4.98 121.20 122.56 1qn0 s ILE 10 Ca -0.03 -0.51 0.07 0.00 0.00 0.00 0.00 60.65 60.18 1qn0 s ILE 10 Cb -0.14 -2.50 0.18 0.00 0.01 0.00 0.00 42.46 40.01 1qn0 s ILE 10 CO 0.04 0.46 0.59 -0.62 0.00 0.00 0.00 174.94 175.41 1qn0 s ASP 11 N 0.98 -1.28 -0.04 3.58 2.15 -1.26 -2.07 116.67 118.73 1qn0 s ASP 11 Ca -0.00 -0.64 0.05 0.00 0.43 0.00 0.00 52.55 52.39 1qn0 s ASP 11 Cb -0.15 1.84 -0.06 0.00 -0.30 0.00 0.00 42.92 44.25 1qn0 s ASP 11 CO 0.00 -0.21 0.04 0.49 -0.17 0.00 0.00 175.17 175.32 1qn0 n PHE 12 N 4.64 0.00 -3.13 -5.34 3.72 -1.26 -4.91 117.46 111.18 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 0.55 -0.21 -0.05 0.00 -0.94 0.00 0.00 39.48 38.83 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 4.85 1.22 4.37 1.01 -1.26 -4.98 121.20 124.23 1qn0 s ILE 13 Ca -0.02 -0.89 -0.18 0.00 0.00 0.00 0.00 60.65 59.55 1qn0 s ILE 13 Cb 0.02 -4.44 0.29 0.00 0.01 0.00 0.00 42.46 38.34 1qn0 s ILE 13 CO 0.20 -1.04 1.05 0.00 0.00 0.00 0.00 174.94 175.16 1qn0 s ALA 14 N 2.63 0.20 0.00 9.38 0.00 -1.26 -4.66 121.76 128.04 1qn0 s ALA 14 Ca 0.12 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1qn0 s ALA 14 Cb -0.23 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1qn0 s ALA 14 CO 0.07 -3.74 0.00 0.41 0.00 0.00 0.00 175.76 172.50 1qn0 n GLY 15 N -0.22 4.65 0.24 0.00 0.00 -1.15 -4.97 105.19 103.73 1qn0 n GLY 15 Ca 0.10 -1.48 -0.04 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.41 0.09 -0.02 0.00 -1.26 -4.72 105.19 98.87 1qn0 n GLY 16 Ca 0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.47 0.15 0.00 1.61 5.08 -2.05 -3.48 114.58 115.41 1qn0 h GLU 17 Ca 0.00 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1qn0 h GLU 17 Cb 0.47 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1qn0 h GLU 17 CO 0.00 1.06 0.00 0.36 -1.00 0.00 0.00 179.01 179.43 1qn0 n LYS 18 N -3.50 0.00 -3.66 2.33 2.85 -1.26 -5.17 118.16 109.74 1qn0 n LYS 18 Ca -0.04 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.13 1qn0 n LYS 18 Cb 0.93 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 35.23 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 2.00 -0.75 0.14 -5.58 6.03 -1.26 -2.93 114.94 112.58 1qn0 s ASN 19 Ca 0.00 1.25 -0.30 0.00 -1.03 0.00 0.00 52.86 52.78 1qn0 s ASN 19 Cb 0.00 1.14 -0.07 0.00 -3.03 0.00 0.00 41.25 39.29 1qn0 s ASN 19 CO 0.00 -0.22 1.14 -0.76 -2.03 0.00 0.00 177.10 175.23 1qn0 s LEU 20 N 1.42 4.44 -0.19 3.54 1.43 -1.26 -5.02 118.68 123.03 1qn0 s LEU 20 Ca -0.09 2.08 0.01 0.00 -1.03 0.00 0.00 54.13 55.10 1qn0 s LEU 20 Cb -0.06 -3.60 0.03 0.00 0.03 0.00 0.00 46.19 42.59 1qn0 s LEU 20 CO -0.15 -0.32 -0.17 -0.89 0.23 0.00 0.00 176.35 175.05 1qn0 s THR 21 N 0.19 2.01 -0.14 5.49 2.01 -1.26 -4.73 115.64 119.20 1qn0 s THR 21 Ca 0.53 -1.06 -0.08 0.00 0.31 0.00 0.00 61.69 61.38 1qn0 s THR 21 Cb -0.30 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.27 1qn0 s THR 21 CO 0.33 0.39 0.15 -0.69 -0.69 0.00 0.00 174.62 174.11 1qn0 s VAL 22 N 1.28 5.46 -0.16 3.82 1.01 -0.88 -4.83 120.40 126.10 1qn0 s VAL 22 Ca 0.02 0.23 -0.08 0.00 0.00 0.00 0.00 61.98 62.14 1qn0 s VAL 22 Cb -0.15 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 1qn0 s VAL 22 CO -0.11 0.56 0.13 -0.69 0.00 0.00 0.00 175.10 174.99 1qn0 s VAL 23 N -0.54 5.43 0.05 2.92 1.01 -1.26 0.56 120.40 128.57 1qn0 s VAL 23 Ca 0.13 0.19 0.06 0.00 0.00 0.00 0.00 61.98 62.36 1qn0 s VAL 23 Cb -0.12 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.82 1qn0 s VAL 23 CO 0.02 0.53 -0.18 0.12 0.00 0.00 0.00 175.10 175.60 1qn0 s PHE 24 N -0.34 1.55 -0.09 5.22 5.36 0.32 -4.93 117.98 125.07 1qn0 s PHE 24 Ca 0.11 -0.37 0.01 0.00 -0.96 0.00 0.00 56.93 55.72 1qn0 s PHE 24 Cb -0.12 -0.91 0.02 0.00 -0.34 0.00 0.00 43.02 41.67 1qn0 s PHE 24 CO 0.01 0.08 -0.11 -0.80 -1.46 0.00 0.00 175.22 172.95 1qn0 s ASN 25 N -1.26 1.99 0.50 6.13 -0.87 -1.26 -2.56 114.94 117.60 1qn0 s ASN 25 Ca 0.05 -0.31 0.29 0.00 -1.57 0.00 0.00 52.86 51.31 1qn0 s ASN 25 Cb -0.09 -0.86 0.89 0.00 -0.02 0.00 0.00 41.25 41.18 1qn0 s ASN 25 CO 0.02 -0.03 1.81 0.45 -2.57 0.00 0.00 177.10 176.78 1qn0 h HIS 26 N 7.51 0.00 -0.26 2.20 3.86 -1.88 -2.59 115.15 123.99 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 1.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.63 1qn0 h HIS 26 CO 0.48 0.01 0.00 -1.13 0.86 0.00 0.00 177.93 178.15 1qn0 n SER 27 N -3.10 2.41 -0.05 2.45 3.41 -1.26 -3.39 113.62 114.09 1qn0 n SER 27 Ca 0.02 -2.23 -0.07 0.00 -0.26 0.00 0.00 58.87 56.34 1qn0 n SER 27 Cb 0.41 -0.43 -0.07 0.00 -0.26 0.00 0.00 64.21 63.87 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 0.31 0.67 -1.08 6.66 -1.04 -0.97 -4.53 114.28 114.30 1qn0 n THR 28 Ca 0.11 -0.33 -0.03 0.00 -2.04 0.00 0.00 64.05 61.76 1qn0 n THR 28 Cb 0.49 -0.84 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 -2.61 2.04 0.33 -1.42 8.25 -1.23 -4.50 115.22 116.08 1qn0 n HIS 29 Ca -0.19 -1.17 0.18 0.00 -0.26 0.00 0.00 57.72 56.29 1qn0 n HIS 29 Cb 0.77 -0.60 0.98 0.00 1.12 0.00 0.00 29.99 32.26 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 2.43 0.00 -0.01 -0.41 2.10 -1.79 1.70 116.57 120.59 1qn0 h LYS 30 Ca 0.20 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.85 1qn0 h LYS 30 Cb 2.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.43 1qn0 h LYS 30 CO 0.60 0.00 -0.06 -3.47 -2.00 0.00 0.00 179.45 174.52 1qn0 n ASP 31 N -2.94 0.58 -4.37 7.07 2.03 -1.26 -4.74 116.55 112.92 1qn0 n ASP 31 Ca -0.02 -0.88 -0.33 0.00 0.52 0.00 0.00 54.79 54.08 1qn0 n ASP 31 Cb 0.24 -0.04 -0.14 0.00 -0.72 0.00 0.00 41.12 40.46 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 -2.26 3.00 0.92 5.18 1.01 0.58 -5.10 120.40 123.73 1qn0 s VAL 32 Ca 0.35 -0.69 -0.13 0.00 0.00 0.00 0.00 61.98 61.52 1qn0 s VAL 32 Cb 0.21 -2.25 0.05 0.00 0.00 0.00 0.00 36.38 34.39 1qn0 s VAL 32 CO 0.42 0.53 0.54 0.29 0.00 0.00 0.00 175.10 176.88 1qn0 n LYS 33 N 3.42 -0.25 -0.04 2.72 4.76 -1.26 -4.88 118.16 122.63 1qn0 n LYS 33 Ca -0.18 -0.03 -0.16 0.00 -2.87 0.00 0.00 58.31 55.07 1qn0 n LYS 33 Cb 0.53 -1.95 -0.07 0.00 -1.84 0.00 0.00 35.03 31.70 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 -4.09 0.00 0.26 0.00 5.68 -1.26 -0.38 116.55 116.76 1qn0 n ASP 35 Ca -0.07 0.48 0.18 0.00 -0.50 0.00 0.00 54.79 54.87 1qn0 n ASP 35 Cb 0.65 -0.49 0.84 0.00 -1.14 0.00 0.00 41.12 40.98 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 -1.78 -3.34 116.42 112.00 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 0.15 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.16 1qn0 h ASP 36 CO 0.00 0.00 -0.49 0.00 -1.61 0.00 0.00 179.24 177.14 1qn0 n HIS 38 N -2.67 3.43 -0.07 0.00 8.25 0.49 -4.60 115.22 120.05 1qn0 n HIS 38 Ca 0.00 -2.46 -0.06 0.00 -0.26 0.00 0.00 57.72 54.94 1qn0 n HIS 38 Cb 0.24 -2.43 -0.04 0.00 1.12 0.00 0.00 29.99 28.89 1qn0 n HIS 38 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 1qn0 h HIS 39 N 7.47 0.00 -3.57 4.41 -0.00 -1.83 -3.39 115.15 118.24 1qn0 h HIS 39 Ca 0.45 0.00 -0.70 0.00 -0.00 0.00 0.00 60.37 60.12 1qn0 h HIS 39 Cb 0.77 0.00 -0.20 0.00 -0.00 0.00 0.00 27.41 27.98 1qn0 h HIS 39 CO 1.37 0.32 -0.37 -0.65 -0.00 0.00 0.00 177.93 178.60 1qn0 s GLN 40 N -1.96 3.16 -0.58 5.12 1.11 -1.26 -5.03 119.66 120.22 1qn0 s GLN 40 Ca -0.11 -0.82 -0.23 0.00 0.01 0.00 0.00 55.36 54.22 1qn0 s GLN 40 Cb 0.01 -3.93 0.05 0.00 -1.01 0.00 0.00 33.01 28.14 1qn0 s GLN 40 CO 0.24 -0.70 0.90 -1.25 0.01 0.00 0.00 175.29 174.50 1qn0 s PRO 41 N 1.84 3.23 0.11 2.91 0.04 -1.26 -4.71 135.00 137.16 1qn0 s PRO 41 Ca 0.08 -0.53 -0.31 0.00 0.04 0.00 0.00 61.00 60.27 1qn0 s PRO 41 Cb -0.18 -4.11 -0.11 0.00 0.04 0.00 0.00 34.50 30.14 1qn0 s PRO 41 CO 0.11 -1.55 1.59 0.78 0.04 0.00 0.00 177.00 177.97 1qn0 h GLY 42 N 10.91 -0.87 0.00 0.56 0.00 -1.87 -3.38 103.07 108.42 1qn0 h GLY 42 Ca -0.27 0.49 -0.06 0.00 0.00 0.00 0.00 47.33 47.49 1qn0 h GLY 42 CO 1.10 -0.28 -1.24 1.34 0.00 0.00 0.00 176.54 177.46 1qn0 n ASP 43 N -5.47 3.79 -4.03 0.19 -0.08 -1.26 -5.08 116.55 104.61 1qn0 n ASP 43 Ca -0.08 -0.02 -0.13 0.00 -1.51 0.00 0.00 54.79 53.05 1qn0 n ASP 43 Cb 0.38 0.09 -0.09 0.00 2.34 0.00 0.00 41.12 43.84 1qn0 n ASP 43 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1qn0 s LYS 44 N -2.08 1.34 0.47 -0.67 1.02 -1.26 -5.00 119.74 113.56 1qn0 s LYS 44 Ca -0.05 -1.65 0.41 0.00 0.02 0.00 0.00 55.97 54.70 1qn0 s LYS 44 Cb 0.01 0.30 1.50 0.00 -0.52 0.00 0.00 37.83 39.13 1qn0 s LYS 44 CO 0.11 -0.47 1.41 0.94 -0.92 0.00 0.00 175.35 176.42 1qn0 n GLN 45 N -0.34 -0.01 -4.58 1.68 -0.06 -1.26 -3.68 117.38 109.13 1qn0 n GLN 45 Ca 0.02 1.02 -0.33 0.00 -2.00 0.00 0.00 57.00 55.72 1qn0 n GLN 45 Cb 0.65 -2.25 -0.16 0.00 -4.06 0.00 0.00 30.24 24.42 1qn0 n GLN 45 CO 0.00 0.00 0.00 0.71 -0.20 0.00 0.00 177.06 177.57 1qn0 s TYR 46 N -4.79 2.70 0.26 3.69 2.02 -1.26 -4.55 117.35 115.42 1qn0 s TYR 46 Ca -0.05 -1.32 -0.03 0.00 -0.37 0.00 0.00 57.07 55.30 1qn0 s TYR 46 Cb 0.25 -1.84 0.01 0.00 -0.40 0.00 0.00 41.96 39.98 1qn0 s TYR 46 CO 0.79 -0.61 0.38 0.00 -1.57 0.00 0.00 175.55 174.54 1qn0 n ALA 47 N 4.13 -0.41 -1.78 3.71 0.00 -1.24 -4.71 120.51 120.21 1qn0 n ALA 47 Ca -0.20 -1.11 -0.37 0.00 0.00 0.00 0.00 53.44 51.76 1qn0 n ALA 47 Cb 0.51 0.90 -0.05 0.00 0.00 0.00 0.00 19.45 20.81 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 -2.53 2.74 0.07 0.00 0.00 -1.26 -4.90 107.32 101.44 1qn0 s GLY 48 Ca 0.19 0.63 -0.05 0.00 0.00 0.00 0.00 44.72 45.50 1qn0 s GLY 48 CO 0.14 1.06 1.13 0.00 0.00 0.00 0.00 173.10 175.43 1qn0 n THR 50 N -3.54 1.43 -1.45 0.00 -2.24 -1.26 -1.50 114.28 105.73 1qn0 n THR 50 Ca -0.09 -0.70 -0.33 0.00 -2.27 0.00 0.00 64.05 60.66 1qn0 n THR 50 Cb 1.03 -0.46 0.08 0.00 -2.10 0.00 0.00 70.33 68.88 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 -1.79 2.87 0.70 4.28 2.01 -1.19 -3.78 115.64 118.75 1qn0 s THR 51 Ca 0.26 0.37 -0.16 0.00 0.31 0.00 0.00 61.69 62.47 1qn0 s THR 51 Cb 0.20 -2.84 -0.01 0.00 0.01 0.00 0.00 72.50 69.86 1qn0 s THR 51 CO 0.07 -0.29 0.85 0.47 -0.69 0.00 0.00 174.62 175.04 1qn0 n ASP 52 N -2.93 0.08 -1.56 3.53 9.92 -1.26 -1.30 116.55 123.03 1qn0 n ASP 52 Ca 0.11 0.67 -0.17 0.00 -0.53 0.00 0.00 54.79 54.86 1qn0 n ASP 52 Cb 0.52 -1.35 -0.07 0.00 -0.64 0.00 0.00 41.12 39.57 1qn0 n ASP 52 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1qn0 n GLY 53 N 1.26 1.53 0.00 0.44 0.00 -1.26 -4.83 105.19 102.33 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 1.01 -1.93 0.00 8.25 -0.57 -4.64 115.22 117.35 1qn0 n HIS 55 Ca 0.00 -1.71 -0.42 0.00 -0.26 0.00 0.00 57.72 55.33 1qn0 n HIS 55 Cb 0.00 -1.13 -0.00 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 1.11 4.91 -3.75 0.41 2.85 -1.21 -3.98 115.26 115.59 1qn0 n ASN 56 Ca 0.33 -2.93 -0.28 0.00 -0.11 0.00 0.00 54.58 51.59 1qn0 n ASN 56 Cb 0.62 -1.57 -0.16 0.00 1.24 0.00 0.00 39.78 39.91 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 1.88 0.62 -0.33 -1.44 -1.09 -1.22 -4.98 121.20 114.65 1qn0 s ILE 57 Ca 0.46 -0.67 0.09 0.00 -2.23 0.00 0.00 60.65 58.31 1qn0 s ILE 57 Cb 0.13 -1.13 0.68 0.00 -1.58 0.00 0.00 42.46 40.56 1qn0 s ILE 57 CO -0.05 -0.24 1.74 0.18 -1.23 0.00 0.00 174.94 175.34 1qn0 n LEU 58 N 5.01 5.71 -3.86 2.97 4.77 -1.26 -3.88 117.00 126.45 1qn0 n LEU 58 Ca -0.09 -3.35 -0.31 0.00 -0.03 0.00 0.00 56.01 52.23 1qn0 n LEU 58 Cb 0.46 -0.73 -0.08 0.00 -2.33 0.00 0.00 43.42 40.74 1qn0 n LEU 58 CO 0.13 0.90 0.20 -0.67 -1.33 0.00 0.00 177.39 176.62 1qn0 n ASP 59 N -0.51 3.82 -4.25 -1.43 -0.08 -1.26 -4.88 116.55 107.97 1qn0 n ASP 59 Ca 0.41 -3.26 -0.37 0.00 -1.51 0.00 0.00 54.79 50.06 1qn0 n ASP 59 Cb 1.34 -0.87 0.03 0.00 2.34 0.00 0.00 41.12 43.96 1qn0 n ASP 59 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1qn0 n LYS 60 N 1.76 0.09 -3.19 -0.67 4.81 -1.26 -3.08 118.16 116.61 1qn0 n LYS 60 Ca 0.23 0.04 -0.14 0.00 -0.87 0.00 0.00 58.31 57.57 1qn0 n LYS 60 Cb 0.37 -1.22 0.07 0.00 0.02 0.00 0.00 35.03 34.27 1qn0 n LYS 60 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1qn0 n ALA 61 N -1.98 -2.02 -2.39 3.14 0.00 -1.26 -5.03 120.51 110.97 1qn0 n ALA 61 Ca 0.06 0.03 -0.25 0.00 0.00 0.00 0.00 53.44 53.27 1qn0 n ALA 61 Cb 0.50 -3.57 -0.03 0.00 0.00 0.00 0.00 19.45 16.35 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 -3.83 4.63 -0.61 0.00 2.15 -1.18 -5.09 116.67 112.74 1qn0 s ASP 62 Ca 0.18 -1.16 0.04 0.00 0.43 0.00 0.00 52.55 52.05 1qn0 s ASP 62 Cb -0.02 0.11 0.16 0.00 -0.30 0.00 0.00 42.92 42.87 1qn0 s ASP 62 CO 0.66 -0.93 0.40 -0.54 -0.17 0.00 0.00 175.17 174.60 1qn0 s LYS 63 N -4.17 2.12 -0.22 4.34 1.02 -1.26 -5.03 119.74 116.54 1qn0 s LYS 63 Ca 0.36 -2.96 -0.35 0.00 0.02 0.00 0.00 55.97 53.04 1qn0 s LYS 63 Cb -0.01 -3.13 0.15 0.00 -0.52 0.00 0.00 37.83 34.31 1qn0 s LYS 63 CO 0.22 -1.24 1.25 -1.12 -0.92 0.00 0.00 175.35 173.53 1qn0 s SER 64 N -0.90 -0.11 0.00 2.83 0.01 -1.26 -4.99 113.70 109.27 1qn0 s SER 64 Ca 0.23 0.02 0.11 0.00 1.31 0.00 0.00 55.95 57.62 1qn0 s SER 64 Cb -0.11 0.12 0.48 0.00 0.21 0.00 0.00 66.02 66.72 1qn0 s SER 64 CO -0.12 -0.18 1.33 0.55 0.41 0.00 0.00 173.24 175.24 1qn0 n VAL 65 N 0.03 0.14 -0.15 3.43 3.14 -1.26 -2.88 118.33 120.77 1qn0 n VAL 65 Ca 0.01 -0.16 0.11 0.00 -2.96 0.00 0.00 64.34 61.34 1qn0 n VAL 65 Cb 0.58 0.03 0.27 0.00 -1.06 0.00 0.00 33.84 33.67 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 -0.22 3.70 -4.74 6.55 4.13 -1.26 -4.84 115.26 118.58 1qn0 n ASN 66 Ca 0.09 -1.99 -0.41 0.00 1.68 0.00 0.00 54.58 53.95 1qn0 n ASN 66 Cb 0.13 -0.39 -0.04 0.00 -1.54 0.00 0.00 39.78 37.94 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 -1.14 7.25 -0.15 6.41 1.04 -1.14 -3.40 113.70 122.56 1qn0 s SER 67 Ca 0.43 2.15 0.14 0.00 0.48 0.00 0.00 55.95 59.15 1qn0 s SER 67 Cb 0.23 -2.61 0.68 0.00 0.10 0.00 0.00 66.02 64.43 1qn0 s SER 67 CO 0.31 -0.22 1.56 1.87 0.98 0.00 0.00 173.24 177.75 1qn0 n TRP 68 N 2.12 1.58 -0.04 5.02 -0.00 -1.25 -3.71 117.44 121.16 1qn0 n TRP 68 Ca 0.02 -0.58 0.00 0.00 -0.00 0.00 0.00 57.50 56.94 1qn0 n TRP 68 Cb 0.46 -0.34 0.00 0.00 -0.00 0.00 0.00 31.31 31.42 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 0.77 0.00 -0.12 5.87 4.19 -1.26 -4.62 117.16 121.98 1qn0 n TYR 69 Ca 0.24 0.00 -0.20 0.00 3.31 0.00 0.00 57.90 61.25 1qn0 n TYR 69 Cb 0.94 0.00 -0.10 0.00 0.49 0.00 0.00 39.34 40.67 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 -0.62 0.58 0.00 2.98 4.81 -1.24 -3.00 118.16 121.66 1qn0 n LYS 70 Ca 0.00 0.17 0.03 0.00 -0.87 0.00 0.00 58.31 57.64 1qn0 n LYS 70 Cb 0.01 -1.46 0.14 0.00 0.02 0.00 0.00 35.03 33.75 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 -3.47 1.25 -0.09 3.15 0.24 -1.24 0.20 118.33 118.38 1qn0 n VAL 71 Ca -0.44 0.31 -0.17 0.00 -2.04 0.00 0.00 64.34 62.00 1qn0 n VAL 71 Cb 0.92 -1.21 -0.06 0.00 -1.47 0.00 0.00 33.84 32.03 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 -1.40 1.24 -0.53 3.34 0.31 -1.26 -4.21 118.33 115.82 1qn0 n VAL 72 Ca 0.02 -0.13 -0.08 0.00 -0.01 0.00 0.00 64.34 64.14 1qn0 n VAL 72 Cb 0.06 -1.91 0.20 0.00 -0.91 0.00 0.00 33.84 31.28 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 -4.03 1.96 -2.33 3.52 8.25 -1.06 -3.53 115.22 118.00 1qn0 n HIS 73 Ca -0.31 -1.10 -0.41 0.00 -0.26 0.00 0.00 57.72 55.64 1qn0 n HIS 73 Cb 0.66 -0.62 -0.03 0.00 1.12 0.00 0.00 29.99 31.13 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 -0.63 5.95 0.00 0.41 1.01 0.54 -4.79 116.67 119.15 1qn0 s ASP 74 Ca 0.41 0.23 0.28 0.00 0.71 0.00 0.00 52.55 54.18 1qn0 s ASP 74 Cb 0.33 -2.54 1.09 0.00 1.01 0.00 0.00 42.92 42.80 1qn0 s ASP 74 CO 0.09 -1.87 1.77 0.00 0.21 0.00 0.00 175.17 175.38 1qn0 n ALA 75 N 10.23 2.84 -2.86 5.23 0.00 -1.26 -4.12 120.51 130.56 1qn0 n ALA 75 Ca 0.13 -0.32 -0.33 0.00 0.00 0.00 0.00 53.44 52.92 1qn0 n ALA 75 Cb 0.50 -1.26 -0.05 0.00 0.00 0.00 0.00 19.45 18.64 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 -2.43 3.48 0.00 0.00 2.20 -1.26 -4.92 119.74 116.81 1qn0 s LYS 76 Ca 0.29 -0.30 0.00 0.00 -0.36 0.00 0.00 55.97 55.60 1qn0 s LYS 76 Cb 0.20 -3.05 0.00 0.00 -1.51 0.00 0.00 37.83 33.47 1qn0 s LYS 76 CO 0.47 0.63 0.00 0.41 -0.36 0.00 0.00 175.35 176.50 1qn0 n GLY 77 N 0.66 -2.74 0.00 5.54 0.00 -1.26 -4.88 105.19 102.51 1qn0 n GLY 77 Ca -0.08 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.63 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 1.37 -0.51 0.51 -0.02 0.00 -1.26 -4.87 105.19 100.41 1qn0 n GLY 78 Ca 0.00 -1.57 0.30 0.00 0.00 0.00 0.00 46.02 44.75 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 2.85 -2.87 4.61 0.00 -2.07 -3.40 119.26 118.38 1qn0 h ALA 79 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1qn0 h ALA 79 Cb 0.00 0.07 -0.13 0.00 0.00 0.00 0.00 17.79 17.74 1qn0 h ALA 79 CO 0.00 -1.48 0.06 -1.59 0.00 0.00 0.00 179.25 176.24 1qn0 s LYS 80 N -4.61 1.16 0.20 0.00 -2.85 -1.26 -5.18 119.74 107.21 1qn0 s LYS 80 Ca -0.04 -0.59 -0.03 0.00 -1.00 0.00 0.00 55.97 54.30 1qn0 s LYS 80 Cb 0.17 0.52 0.05 0.00 -2.06 0.00 0.00 37.83 36.51 1qn0 s LYS 80 CO 0.59 -0.48 0.21 -0.35 0.10 0.00 0.00 175.35 175.41 1qn0 n PRO 81 N -0.29 -0.95 -1.14 1.78 -0.04 -1.26 -4.90 135.00 128.20 1qn0 n PRO 81 Ca -0.17 -0.32 0.00 0.00 -0.04 0.00 0.00 63.50 62.97 1qn0 n PRO 81 Cb 0.64 -0.27 0.00 0.00 -0.04 0.00 0.00 33.50 33.84 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 -2.69 0.00 1.42 0.52 -2.24 -1.26 -4.95 114.28 105.08 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 0.10 0.00 0.72 0.00 -2.10 0.00 0.00 70.33 69.05 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 -1.17 0.60 0.19 0.00 2.08 -1.23 -4.05 119.36 115.78 1qn0 n ILE 84 Ca 0.16 -0.19 -0.15 0.00 0.56 0.00 0.00 62.75 63.12 1qn0 n ILE 84 Cb 0.16 -1.22 -0.09 0.00 -0.75 0.00 0.00 39.64 37.74 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 -0.18 -1.31 0.77 4.38 0.87 -1.70 1.90 113.55 118.28 1qn0 h SER 85 Ca -0.25 0.12 -0.04 0.00 -1.23 0.00 0.00 61.79 60.39 1qn0 h SER 85 Cb 1.31 0.45 0.01 0.00 -0.44 0.00 0.00 62.40 63.73 1qn0 h SER 85 CO -0.10 -0.55 -0.37 0.00 -0.53 0.00 0.00 176.83 175.28 1qn0 h HIS 87 N -1.06 0.74 -0.25 0.00 -0.00 -1.67 0.69 115.15 113.60 1qn0 h HIS 87 Ca -0.11 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.29 1qn0 h HIS 87 Cb 0.80 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.99 1qn0 h HIS 87 CO -0.02 -0.02 0.15 0.87 -0.00 0.00 0.00 177.93 178.91 1qn0 h LYS 88 N 0.36 0.34 -0.94 2.45 1.57 0.37 -0.30 116.57 120.43 1qn0 h LYS 88 Ca 0.67 -0.03 0.09 0.00 -1.87 0.00 0.00 60.65 59.50 1qn0 h LYS 88 Cb 1.67 -0.07 -0.07 0.00 0.08 0.00 0.00 32.23 33.83 1qn0 h LYS 88 CO -0.40 0.27 0.58 0.22 -0.57 0.00 0.00 179.45 179.56 1qn0 h ASP 89 N 0.31 0.89 -0.67 0.86 3.58 0.13 0.45 116.42 121.96 1qn0 h ASP 89 Ca 0.09 0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.54 1qn0 h ASP 89 Cb 0.02 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 40.89 1qn0 h ASP 89 CO -0.02 0.53 0.30 0.11 -2.88 0.00 0.00 179.24 177.28 1qn0 h LYS 90 N 1.00 0.99 -0.80 0.28 1.79 -0.51 -0.98 116.57 118.33 1qn0 h LYS 90 Ca 0.43 -0.16 -0.08 0.00 -2.18 0.00 0.00 60.65 58.66 1qn0 h LYS 90 Cb 0.31 -0.17 -0.05 0.00 -1.58 0.00 0.00 32.23 30.74 1qn0 h LYS 90 CO -0.22 0.80 0.11 0.00 -1.08 0.00 0.00 179.45 179.05 1qn0 n ALA 91 N -2.37 3.67 -1.81 3.86 0.00 -0.08 -4.62 120.51 119.16 1qn0 n ALA 91 Ca 0.05 -1.39 -0.40 0.00 0.00 0.00 0.00 53.44 51.70 1qn0 n ALA 91 Cb 0.15 -1.13 -0.01 0.00 0.00 0.00 0.00 19.45 18.45 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 0.16 4.89 0.00 0.00 0.00 0.14 -4.12 105.19 106.27 1qn0 n GLY 92 Ca 0.23 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 2.51 0.00 -4.69 1.61 5.75 -1.26 -5.03 116.55 115.45 1qn0 n ASP 93 Ca 0.66 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 55.01 1qn0 n ASP 93 Cb 0.25 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 7.16 0.11 -1.12 -1.08 -1.26 -4.92 116.67 115.55 1qn0 s ASP 94 Ca 0.00 1.64 -0.12 0.00 -0.52 0.00 0.00 52.55 53.55 1qn0 s ASP 94 Cb 0.00 -2.56 -0.15 0.00 -1.46 0.00 0.00 42.92 38.76 1qn0 s ASP 94 CO 0.00 -0.51 1.31 0.11 0.52 0.00 0.00 175.17 176.59 1qn0 h LYS 95 N 7.27 0.78 0.00 4.34 1.57 -1.98 -2.90 116.57 125.65 1qn0 h LYS 95 Ca -0.32 -0.64 -0.03 0.00 -1.87 0.00 0.00 60.65 57.79 1qn0 h LYS 95 Cb 1.15 0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.59 1qn0 h LYS 95 CO 0.87 1.25 -0.17 1.49 -0.57 0.00 0.00 179.45 182.33 1qn0 h GLU 96 N 0.53 0.00 0.00 3.15 4.57 -1.96 -0.57 114.58 120.30 1qn0 h GLU 96 Ca -0.05 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.11 1qn0 h GLU 96 Cb 1.42 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.00 1qn0 h GLU 96 CO 0.16 0.17 -0.08 1.25 -1.18 0.00 0.00 179.01 179.32 1qn0 h LEU 97 N 0.00 0.00 -2.12 1.64 7.12 -1.88 -2.92 115.31 117.14 1qn0 h LEU 97 Ca -0.00 0.00 -0.07 0.00 0.13 0.00 0.00 57.88 57.94 1qn0 h LEU 97 Cb 0.40 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.49 1qn0 h LEU 97 CO 0.02 0.08 0.09 1.17 -0.13 0.00 0.00 178.44 179.67 1qn0 n LYS 98 N -3.14 1.80 -2.69 1.25 4.81 -0.22 -3.56 118.16 116.40 1qn0 n LYS 98 Ca 0.03 -0.90 -0.07 0.00 -0.87 0.00 0.00 58.31 56.49 1qn0 n LYS 98 Cb 0.49 -1.55 0.05 0.00 0.02 0.00 0.00 35.03 34.04 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 0.11 1.25 0.00 1.64 5.02 -1.10 -4.12 118.16 120.96 1qn0 n LYS 99 Ca 0.12 -3.02 0.00 0.00 -2.02 0.00 0.00 58.31 53.39 1qn0 n LYS 99 Cb 0.67 -1.07 0.00 0.00 -0.02 0.00 0.00 35.03 34.61 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 -0.02 1.97 2.85 -1.24 -4.70 118.16 116.74 1qn0 n LYS 100 Ca 0.06 0.00 -0.11 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 1.28 -0.05 0.00 0.00 177.40 178.63 1qn0 n LEU 101 N -1.84 1.19 0.00 -5.58 4.77 -1.23 -1.03 117.00 113.28 1qn0 n LEU 101 Ca 0.00 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1qn0 n LEU 101 Cb 0.00 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1qn0 n LEU 101 CO 0.00 0.50 0.41 0.35 -1.33 0.00 0.00 177.39 177.32 1qn0 n THR 102 N -3.11 0.65 -1.81 -5.08 -2.24 -1.26 -4.86 114.28 96.57 1qn0 n THR 102 Ca -0.22 -0.79 -0.43 0.00 -2.27 0.00 0.00 64.05 60.35 1qn0 n THR 102 Cb 1.06 0.70 -0.03 0.00 -2.10 0.00 0.00 70.33 69.96 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 -0.65 1.11 0.09 3.38 0.00 -1.26 -4.87 107.32 105.12 1qn0 s GLY 103 Ca 0.00 0.88 -0.29 0.00 0.00 0.00 0.00 44.72 45.31 1qn0 s GLY 103 CO 0.00 3.40 1.64 0.00 0.00 0.00 0.00 173.10 178.15 1qn0 s LYS 105 N -6.07 1.83 -0.32 0.00 2.20 -1.26 -4.67 119.74 111.45 1qn0 s LYS 105 Ca -0.16 -0.75 -0.02 0.00 -0.36 0.00 0.00 55.97 54.69 1qn0 s LYS 105 Cb 0.06 -1.70 0.00 0.00 -1.51 0.00 0.00 37.83 34.68 1qn0 s LYS 105 CO 0.64 0.41 0.27 0.41 -0.36 0.00 0.00 175.35 176.72 1qn0 n GLY 106 N 2.72 0.52 3.70 5.54 0.00 -0.35 -5.01 105.19 112.30 1qn0 n GLY 106 Ca -0.16 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.00 3.27 0.00 1.61 3.41 -0.72 -4.71 113.62 116.47 1qn0 n SER 107 Ca -0.01 -3.16 0.11 0.00 -0.26 0.00 0.00 58.87 55.54 1qn0 n SER 107 Cb 0.52 0.27 0.58 0.00 -0.26 0.00 0.00 64.21 65.32 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 -1.49 2.18 -0.11 7.33 0.00 -0.20 -2.70 120.51 125.53 1qn0 n ALA 108 Ca -0.20 -0.11 -0.21 0.00 0.00 0.00 0.00 53.44 52.91 1qn0 n ALA 108 Cb 0.64 -1.36 -0.08 0.00 0.00 0.00 0.00 19.45 18.65 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 -2.41 3.50 -1.21 0.00 4.02 -1.17 -4.33 115.29 113.69 1qn0 s HIS 110 Ca -0.30 -3.22 -0.09 0.00 1.02 0.00 0.00 55.06 52.46 1qn0 s HIS 110 Cb 0.11 -2.84 0.21 0.00 -1.02 0.00 0.00 32.58 29.04 1qn0 s HIS 110 CO 0.42 -0.64 1.63 -0.35 1.02 0.00 0.00 174.74 176.81 1qn0 n PRO 111 N 2.42 3.75 0.00 8.40 -0.04 -1.10 -1.22 135.00 147.21 1qn0 n PRO 111 Ca 0.15 -3.91 0.00 0.00 -0.04 0.00 0.00 63.50 59.70 1qn0 n PRO 111 Cb 0.35 -2.83 0.00 0.00 -0.04 0.00 0.00 33.50 30.98 1qn0 n PRO 111 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91