#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 -8.53 -4.68 6.55 8.00 -1.26 -4.72 116.55 111.91 1qn0 n ASP 2 Ca 0.00 1.75 -0.48 0.00 0.71 0.00 0.00 54.79 56.77 1qn0 n ASP 2 Cb 0.00 -4.84 -0.05 0.00 -0.02 0.00 0.00 41.12 36.22 1qn0 n ASP 2 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1qn0 n VAL 3 N 1.88 0.50 -0.98 2.53 3.14 -1.26 -4.88 118.33 119.26 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 -1.82 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 6.22 -0.06 -3.03 1.45 -0.02 -1.26 -4.92 135.00 133.38 1qn0 n PRO 4 Ca 0.22 -0.01 -0.31 0.00 -2.02 0.00 0.00 63.50 61.37 1qn0 n PRO 4 Cb 0.29 -1.06 -0.05 0.00 -0.02 0.00 0.00 33.50 32.67 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 3.36 0.81 3.55 0.00 -1.26 -4.74 121.76 121.46 1qn0 s ALA 5 Ca 0.40 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.24 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 0.76 0.18 0.00 -0.40 0.00 0.00 0.00 175.76 176.30 1qn0 n ASP 6 N -0.81 -0.96 -1.22 0.00 5.75 -1.26 -4.34 116.55 113.71 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 -0.01 0.00 -1.03 0.00 0.00 41.12 40.61 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 0.10 3.76 6.12 0.00 -1.25 -4.99 105.19 108.93 1qn0 n GLY 7 Ca 0.00 -0.43 -0.39 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.54 3.44 -0.06 4.61 0.00 -1.00 -4.95 121.76 121.25 1qn0 s ALA 8 Ca 0.00 0.19 0.04 0.00 0.00 0.00 0.00 51.96 52.20 1qn0 s ALA 8 Cb 0.00 -2.88 -0.02 0.00 0.00 0.00 0.00 23.12 20.23 1qn0 s ALA 8 CO 0.00 0.16 -0.20 0.15 0.00 0.00 0.00 175.76 175.88 1qn0 s LYS 9 N -0.36 2.64 -0.17 0.00 1.02 -1.26 0.25 119.74 121.85 1qn0 s LYS 9 Ca 0.35 -0.80 -0.02 0.00 0.02 0.00 0.00 55.97 55.52 1qn0 s LYS 9 Cb -0.20 -2.30 -0.01 0.00 -0.52 0.00 0.00 37.83 34.79 1qn0 s LYS 9 CO 0.21 0.45 -0.08 0.42 -0.92 0.00 0.00 175.35 175.43 1qn0 s ILE 10 N -0.30 3.25 -0.40 2.17 1.01 0.27 -4.96 121.20 122.25 1qn0 s ILE 10 Ca 0.01 -0.56 0.08 0.00 0.00 0.00 0.00 60.65 60.18 1qn0 s ILE 10 Cb -0.13 -2.42 0.18 0.00 0.01 0.00 0.00 42.46 40.10 1qn0 s ILE 10 CO 0.03 0.48 0.62 -0.62 0.00 0.00 0.00 174.94 175.45 1qn0 s ASP 11 N 0.85 -1.50 -0.04 3.58 2.15 -1.26 -1.95 116.67 118.50 1qn0 s ASP 11 Ca -0.02 -0.69 0.05 0.00 0.43 0.00 0.00 52.55 52.32 1qn0 s ASP 11 Cb -0.15 1.95 -0.07 0.00 -0.30 0.00 0.00 42.92 44.36 1qn0 s ASP 11 CO 0.01 -0.19 0.05 0.49 -0.17 0.00 0.00 175.17 175.36 1qn0 n PHE 12 N 4.53 0.00 -3.23 -5.34 3.72 -1.26 -4.91 117.46 110.97 1qn0 n PHE 12 Ca 0.10 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 57.06 1qn0 n PHE 12 Cb 0.56 -0.20 -0.06 0.00 -0.94 0.00 0.00 39.48 38.84 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 -2.19 5.02 0.13 4.37 1.01 -1.26 -4.94 121.20 123.34 1qn0 s ILE 13 Ca -0.02 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.62 1qn0 s ILE 13 Cb 0.02 -4.32 0.00 0.00 0.01 0.00 0.00 42.46 38.17 1qn0 s ILE 13 CO 0.21 -0.86 0.00 0.00 0.00 0.00 0.00 174.94 174.28 1qn0 n ALA 14 N 5.78 -1.43 -2.50 9.38 0.00 -1.26 -4.80 120.51 125.67 1qn0 n ALA 14 Ca -0.11 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1qn0 n ALA 14 Cb 0.43 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.38 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 -2.25 2.44 3.60 0.00 0.00 -1.26 -4.97 105.19 102.75 1qn0 n GLY 15 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.63 0.03 -0.02 0.00 -1.26 -3.74 105.19 100.84 1qn0 n GLY 16 Ca 0.00 -1.05 -0.03 0.00 0.00 0.00 0.00 46.02 44.94 1qn0 n GLY 16 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1qn0 n GLU 17 N 6.17 2.54 -1.76 1.61 2.13 -1.26 -4.64 120.64 125.44 1qn0 n GLU 17 Ca 0.00 0.01 -0.38 0.00 0.66 0.00 0.00 57.16 57.45 1qn0 n GLU 17 Cb 0.00 -1.15 0.05 0.00 0.27 0.00 0.00 31.44 30.61 1qn0 n GLU 17 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1qn0 n LYS 18 N -2.31 2.77 -4.18 5.31 2.85 -1.26 -4.95 118.16 116.40 1qn0 n LYS 18 Ca -0.10 -3.50 -0.35 0.00 -1.05 0.00 0.00 58.31 53.31 1qn0 n LYS 18 Cb 0.69 -2.28 -0.09 0.00 -0.65 0.00 0.00 35.03 32.70 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 -1.46 5.46 -0.55 -5.58 4.22 -1.25 -4.95 114.94 110.83 1qn0 s ASN 19 Ca 0.56 0.12 -0.28 0.00 -2.14 0.00 0.00 52.86 51.12 1qn0 s ASN 19 Cb 0.46 -1.78 0.00 0.00 1.28 0.00 0.00 41.25 41.22 1qn0 s ASN 19 CO -0.27 0.28 1.55 -0.76 -2.04 0.00 0.00 177.10 175.85 1qn0 s LEU 20 N -0.25 3.38 -0.35 3.54 1.43 -1.26 -4.96 118.68 120.20 1qn0 s LEU 20 Ca 0.07 0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 53.43 1qn0 s LEU 20 Cb -0.12 -2.97 0.01 0.00 0.03 0.00 0.00 46.19 43.13 1qn0 s LEU 20 CO 0.02 -1.86 0.21 -0.89 0.23 0.00 0.00 176.35 174.06 1qn0 s THR 21 N 6.77 4.82 -0.14 5.49 2.01 -1.26 -4.79 115.64 128.54 1qn0 s THR 21 Ca 0.58 -0.56 -0.16 0.00 0.31 0.00 0.00 61.69 61.86 1qn0 s THR 21 Cb -0.12 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 1qn0 s THR 21 CO 0.25 -0.10 0.39 -0.69 -0.69 0.00 0.00 174.62 173.77 1qn0 s VAL 22 N 1.62 5.24 0.04 3.82 1.01 -0.82 -4.86 120.40 126.45 1qn0 s VAL 22 Ca 0.04 0.75 -0.10 0.00 0.00 0.00 0.00 61.98 62.67 1qn0 s VAL 22 Cb -0.18 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 1qn0 s VAL 22 CO 0.08 0.35 0.36 -0.69 0.00 0.00 0.00 175.10 175.19 1qn0 s VAL 23 N 0.61 5.15 0.04 2.92 1.01 -1.26 0.98 120.40 129.85 1qn0 s VAL 23 Ca 0.21 0.46 0.04 0.00 0.00 0.00 0.00 61.98 62.68 1qn0 s VAL 23 Cb -0.14 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 1qn0 s VAL 23 CO 0.07 0.38 -0.11 0.12 0.00 0.00 0.00 175.10 175.57 1qn0 s PHE 24 N -1.29 0.93 -0.08 5.22 5.36 0.14 -4.94 117.98 123.32 1qn0 s PHE 24 Ca 0.29 -0.41 0.00 0.00 -0.96 0.00 0.00 56.93 55.85 1qn0 s PHE 24 Cb -0.14 -0.55 0.02 0.00 -0.34 0.00 0.00 43.02 42.01 1qn0 s PHE 24 CO 0.16 -0.01 -0.05 -0.80 -1.46 0.00 0.00 175.22 173.06 1qn0 s ASN 25 N -1.34 1.64 0.38 6.13 -0.87 -1.26 -2.38 114.94 117.24 1qn0 s ASN 25 Ca -0.04 -0.20 0.27 0.00 -1.57 0.00 0.00 52.86 51.33 1qn0 s ASN 25 Cb -0.09 -0.63 0.90 0.00 -0.02 0.00 0.00 41.25 41.41 1qn0 s ASN 25 CO 0.01 -0.10 1.78 0.45 -2.57 0.00 0.00 177.10 176.67 1qn0 h HIS 26 N 7.77 0.00 -0.27 2.20 3.86 -1.88 -2.53 115.15 124.30 1qn0 h HIS 26 Ca -0.29 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 1qn0 h HIS 26 Cb 1.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.61 1qn0 h HIS 26 CO 0.48 0.00 0.00 -1.13 0.86 0.00 0.00 177.93 178.14 1qn0 n SER 27 N -2.70 2.13 -0.05 2.45 3.41 -1.26 -3.30 113.62 114.29 1qn0 n SER 27 Ca 0.03 -2.15 -0.07 0.00 -0.26 0.00 0.00 58.87 56.42 1qn0 n SER 27 Cb 0.37 -0.35 -0.06 0.00 -0.26 0.00 0.00 64.21 63.91 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 0.33 0.67 -1.05 6.66 -1.04 -0.95 -4.53 114.28 114.36 1qn0 n THR 28 Ca 0.11 -0.32 -0.03 0.00 -2.04 0.00 0.00 64.05 61.77 1qn0 n THR 28 Cb 0.40 -0.85 0.31 0.00 -1.82 0.00 0.00 70.33 68.37 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 -2.63 2.16 0.31 -1.42 8.25 -1.24 -4.48 115.22 116.17 1qn0 n HIS 29 Ca -0.19 -1.14 0.17 0.00 -0.26 0.00 0.00 57.72 56.31 1qn0 n HIS 29 Cb 0.76 -0.62 0.92 0.00 1.12 0.00 0.00 29.99 32.17 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 2.62 0.00 -0.04 -0.41 2.10 -1.79 1.70 116.57 120.76 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 2.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.49 1qn0 h LYS 30 CO 0.63 0.00 0.00 -3.47 -2.00 0.00 0.00 179.45 174.61 1qn0 n ASP 31 N -2.83 1.25 -4.34 7.07 2.03 -1.26 -4.78 116.55 113.69 1qn0 n ASP 31 Ca -0.02 -1.46 -0.33 0.00 0.52 0.00 0.00 54.79 53.50 1qn0 n ASP 31 Cb 0.22 -0.02 -0.15 0.00 -0.72 0.00 0.00 41.12 40.45 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 -1.96 2.78 0.93 5.18 1.01 0.58 -5.10 120.40 123.82 1qn0 s VAL 32 Ca 0.38 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.46 1qn0 s VAL 32 Cb 0.20 -2.13 0.05 0.00 0.00 0.00 0.00 36.38 34.50 1qn0 s VAL 32 CO 0.32 0.54 0.53 0.29 0.00 0.00 0.00 175.10 176.79 1qn0 n LYS 33 N 3.36 -0.28 -0.00 2.72 4.76 -1.26 -4.89 118.16 122.56 1qn0 n LYS 33 Ca -0.18 -0.04 -0.18 0.00 -2.87 0.00 0.00 58.31 55.05 1qn0 n LYS 33 Cb 0.53 -1.94 -0.09 0.00 -1.84 0.00 0.00 35.03 31.68 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 -4.08 0.00 0.27 0.00 5.68 -1.26 -0.47 116.55 116.69 1qn0 n ASP 35 Ca -0.09 0.44 0.18 0.00 -0.50 0.00 0.00 54.79 54.82 1qn0 n ASP 35 Cb 0.71 -0.46 0.85 0.00 -1.14 0.00 0.00 41.12 41.08 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 -1.82 -3.34 116.42 111.96 1qn0 h ASP 36 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1qn0 h ASP 36 Cb 0.16 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.17 1qn0 h ASP 36 CO 0.00 0.00 -0.50 0.00 -1.61 0.00 0.00 179.24 177.13 1qn0 n HIS 38 N -2.65 3.84 -1.38 0.00 8.25 0.38 -4.76 115.22 118.91 1qn0 n HIS 38 Ca 0.00 -2.42 -0.25 0.00 -0.26 0.00 0.00 57.72 54.79 1qn0 n HIS 38 Cb 0.25 -2.57 -0.04 0.00 1.12 0.00 0.00 29.99 28.75 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 9.72 1.58 -3.76 4.41 -0.00 -1.26 -4.34 115.22 121.57 1qn0 n HIS 39 Ca 0.48 -1.95 -0.23 0.00 -0.00 0.00 0.00 57.72 56.03 1qn0 n HIS 39 Cb 0.45 -1.31 -0.04 0.00 -0.00 0.00 0.00 29.99 29.09 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 -1.71 2.41 0.42 -1.40 1.11 -1.26 -5.11 119.66 114.12 1qn0 s GLN 40 Ca 0.54 -1.69 -0.24 0.00 0.01 0.00 0.00 55.36 53.99 1qn0 s GLN 40 Cb 0.36 -2.23 -0.08 0.00 -1.01 0.00 0.00 33.01 30.05 1qn0 s GLN 40 CO -0.18 -0.23 1.09 -2.14 0.01 0.00 0.00 175.29 173.84 1qn0 s PRO 41 N -4.09 4.02 0.31 2.91 0.02 -1.26 -4.70 135.00 132.20 1qn0 s PRO 41 Ca 0.45 1.60 0.02 0.00 0.02 0.00 0.00 61.00 63.09 1qn0 s PRO 41 Cb -0.01 -2.48 0.77 0.00 0.02 0.00 0.00 34.50 32.79 1qn0 s PRO 41 CO 0.26 -0.29 1.57 0.78 -0.33 0.00 0.00 177.00 178.99 1qn0 h GLY 42 N 2.32 1.28 -0.98 0.52 0.00 -1.99 0.49 103.07 104.71 1qn0 h GLY 42 Ca -0.49 0.14 0.16 0.00 0.00 0.00 0.00 47.33 47.15 1qn0 h GLY 42 CO 0.61 -0.52 -0.35 1.34 0.00 0.00 0.00 176.54 177.62 1qn0 n ASP 43 N -5.47 -0.57 -2.58 0.19 2.03 -1.26 -0.47 116.55 108.41 1qn0 n ASP 43 Ca 0.23 1.70 -0.28 0.00 0.52 0.00 0.00 54.79 56.96 1qn0 n ASP 43 Cb 0.77 -0.42 -0.00 0.00 -0.72 0.00 0.00 41.12 40.75 1qn0 n ASP 43 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1qn0 n LYS 44 N -5.47 3.38 -0.38 -0.67 2.85 0.15 -4.86 118.16 113.16 1qn0 n LYS 44 Ca 0.11 -4.49 0.34 0.00 -1.05 0.00 0.00 58.31 53.22 1qn0 n LYS 44 Cb 0.41 -2.25 0.59 0.00 -0.65 0.00 0.00 35.03 33.13 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 -0.45 -0.04 -3.69 -1.58 -0.06 0.38 -2.37 117.38 109.57 1qn0 n GLN 45 Ca 0.39 1.18 -0.29 0.00 -2.00 0.00 0.00 57.00 56.28 1qn0 n GLN 45 Cb 0.59 -2.25 -0.13 0.00 -4.06 0.00 0.00 30.24 24.39 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 -5.20 1.96 0.53 3.69 2.02 -1.26 -4.57 117.35 114.52 1qn0 s TYR 46 Ca -0.07 -2.44 0.01 0.00 -0.37 0.00 0.00 57.07 54.19 1qn0 s TYR 46 Cb 0.29 -1.82 0.00 0.00 -0.40 0.00 0.00 41.96 40.03 1qn0 s TYR 46 CO 0.73 -0.77 0.05 0.00 -1.57 0.00 0.00 175.55 173.99 1qn0 s ALA 47 N 0.23 4.26 0.42 3.71 0.00 -1.00 -5.12 121.76 124.26 1qn0 s ALA 47 Ca 0.19 -0.27 -0.23 0.00 0.00 0.00 0.00 51.96 51.65 1qn0 s ALA 47 Cb -0.20 -0.07 -0.09 0.00 0.00 0.00 0.00 23.12 22.75 1qn0 s ALA 47 CO -0.03 -0.06 1.06 0.20 0.00 0.00 0.00 175.76 176.93 1qn0 s GLY 48 N -3.94 2.70 0.10 0.00 0.00 -1.26 -4.95 107.32 99.97 1qn0 s GLY 48 Ca 0.06 0.71 0.02 0.00 0.00 0.00 0.00 44.72 45.51 1qn0 s GLY 48 CO 0.03 1.12 1.23 0.00 0.00 0.00 0.00 173.10 175.48 1qn0 n THR 50 N -3.43 1.24 -1.48 0.00 -2.24 -1.26 -1.35 114.28 105.76 1qn0 n THR 50 Ca -0.04 -0.64 -0.33 0.00 -2.27 0.00 0.00 64.05 60.78 1qn0 n THR 50 Cb 0.97 -0.38 0.08 0.00 -2.10 0.00 0.00 70.33 68.90 1qn0 n THR 50 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1qn0 s THR 51 N -1.80 2.93 0.73 4.28 2.01 -1.17 -3.88 115.64 118.74 1qn0 s THR 51 Ca 0.25 0.40 -0.16 0.00 0.31 0.00 0.00 61.69 62.49 1qn0 s THR 51 Cb 0.19 -2.88 0.01 0.00 0.01 0.00 0.00 72.50 69.83 1qn0 s THR 51 CO 0.08 -0.30 0.96 -0.67 -0.69 0.00 0.00 174.62 173.99 1qn0 n ASP 52 N -2.88 0.42 -1.14 3.53 -0.08 -1.26 -1.40 116.55 113.74 1qn0 n ASP 52 Ca 0.11 0.65 -0.14 0.00 -1.51 0.00 0.00 54.79 53.90 1qn0 n ASP 52 Cb 0.52 -1.41 -0.06 0.00 2.34 0.00 0.00 41.12 42.51 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 1.07 1.29 0.00 0.27 0.00 -1.26 -4.82 105.19 101.75 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 1.80 -1.88 0.00 8.25 -0.46 -4.57 115.22 118.38 1qn0 n HIS 55 Ca 0.00 -2.04 -0.41 0.00 -0.26 0.00 0.00 57.72 55.00 1qn0 n HIS 55 Cb 0.00 -1.28 -0.01 0.00 1.12 0.00 0.00 29.99 29.83 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 0.53 6.26 -3.77 0.41 2.85 -1.21 -4.01 115.26 116.32 1qn0 n ASN 56 Ca 0.46 -2.93 -0.28 0.00 -0.11 0.00 0.00 54.58 51.72 1qn0 n ASN 56 Cb 0.53 -1.52 -0.16 0.00 1.24 0.00 0.00 39.78 39.88 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 1.15 0.75 -0.26 -1.44 -1.09 -1.22 -4.97 121.20 114.11 1qn0 s ILE 57 Ca 0.51 -0.77 0.13 0.00 -2.23 0.00 0.00 60.65 58.29 1qn0 s ILE 57 Cb 0.15 -1.24 0.73 0.00 -1.58 0.00 0.00 42.46 40.52 1qn0 s ILE 57 CO -0.06 -0.24 1.70 0.18 -1.23 0.00 0.00 174.94 175.30 1qn0 n LEU 58 N 4.96 5.49 -3.87 2.97 4.77 -1.26 -3.85 117.00 126.21 1qn0 n LEU 58 Ca -0.09 -3.09 -0.32 0.00 -0.03 0.00 0.00 56.01 52.47 1qn0 n LEU 58 Cb 0.46 -0.68 -0.07 0.00 -2.33 0.00 0.00 43.42 40.79 1qn0 n LEU 58 CO 0.14 0.73 0.27 -0.67 -1.33 0.00 0.00 177.39 176.53 1qn0 n ASP 59 N 0.06 4.05 -4.29 -1.43 -0.08 -1.26 -4.82 116.55 108.78 1qn0 n ASP 59 Ca 0.32 -3.27 -0.37 0.00 -1.51 0.00 0.00 54.79 49.96 1qn0 n ASP 59 Cb 1.21 -0.91 0.05 0.00 2.34 0.00 0.00 41.12 43.81 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 1.73 0.11 -3.05 -0.67 4.81 -1.26 -3.00 118.16 116.83 1qn0 n LYS 60 Ca 0.24 0.06 -0.13 0.00 -0.87 0.00 0.00 58.31 57.61 1qn0 n LYS 60 Cb 0.37 -1.41 0.05 0.00 0.02 0.00 0.00 35.03 34.06 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 -2.24 -0.89 -2.16 3.14 0.00 -1.26 -5.03 120.51 112.06 1qn0 n ALA 61 Ca 0.06 0.15 -0.21 0.00 0.00 0.00 0.00 53.44 53.45 1qn0 n ALA 61 Cb 0.51 -2.88 0.02 0.00 0.00 0.00 0.00 19.45 17.10 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 -3.37 5.01 -0.57 0.00 2.15 -1.16 -5.09 116.67 113.65 1qn0 s ASP 62 Ca 0.24 -0.91 0.04 0.00 0.43 0.00 0.00 52.55 52.35 1qn0 s ASP 62 Cb -0.11 0.12 0.15 0.00 -0.30 0.00 0.00 42.92 42.79 1qn0 s ASP 62 CO 0.43 -1.12 0.37 -0.75 -0.17 0.00 0.00 175.17 173.92 1qn0 s LYS 63 N -4.45 1.90 -0.20 4.34 2.36 -1.26 -5.03 119.74 117.40 1qn0 s LYS 63 Ca 0.51 -2.73 -0.34 0.00 -2.55 0.00 0.00 55.97 50.85 1qn0 s LYS 63 Cb -0.05 -2.91 0.14 0.00 -1.05 0.00 0.00 37.83 33.97 1qn0 s LYS 63 CO 0.32 -1.23 1.21 0.45 1.55 0.00 0.00 175.35 177.65 1qn0 s SER 64 N -0.60 -0.14 0.00 1.43 0.15 -1.26 -4.99 113.70 108.29 1qn0 s SER 64 Ca 0.22 0.02 0.13 0.00 0.70 0.00 0.00 55.95 57.02 1qn0 s SER 64 Cb -0.13 0.14 0.66 0.00 -1.71 0.00 0.00 66.02 64.98 1qn0 s SER 64 CO -0.10 -0.22 1.44 0.55 1.20 0.00 0.00 173.24 176.11 1qn0 n VAL 65 N -0.01 0.08 -0.26 4.45 3.14 -1.26 -2.79 118.33 121.69 1qn0 n VAL 65 Ca 0.00 -0.10 0.11 0.00 -2.96 0.00 0.00 64.34 61.39 1qn0 n VAL 65 Cb 0.58 -0.05 0.30 0.00 -1.06 0.00 0.00 33.84 33.61 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 -0.39 3.82 -4.73 6.55 4.13 -1.26 -4.84 115.26 118.54 1qn0 n ASN 66 Ca 0.10 -2.00 -0.41 0.00 1.68 0.00 0.00 54.58 53.95 1qn0 n ASN 66 Cb 0.11 -0.44 -0.04 0.00 -1.54 0.00 0.00 39.78 37.88 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 -1.07 7.17 -0.11 6.41 1.04 -1.12 -3.42 113.70 122.59 1qn0 s SER 67 Ca 0.46 2.14 0.16 0.00 0.48 0.00 0.00 55.95 59.18 1qn0 s SER 67 Cb 0.24 -2.60 0.65 0.00 0.10 0.00 0.00 66.02 64.41 1qn0 s SER 67 CO 0.32 -0.32 1.54 1.87 0.98 0.00 0.00 173.24 177.63 1qn0 n TRP 68 N 2.63 1.39 -0.01 5.02 -0.00 -1.25 -3.63 117.44 121.60 1qn0 n TRP 68 Ca 0.04 -0.54 0.00 0.00 -0.00 0.00 0.00 57.50 57.00 1qn0 n TRP 68 Cb 0.46 -0.25 0.00 0.00 -0.00 0.00 0.00 31.31 31.51 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 0.94 0.00 -0.13 5.87 4.19 -1.26 -4.59 117.16 122.18 1qn0 n TYR 69 Ca 0.23 0.00 -0.23 0.00 3.31 0.00 0.00 57.90 61.21 1qn0 n TYR 69 Cb 0.84 0.00 -0.11 0.00 0.49 0.00 0.00 39.34 40.56 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 -0.85 0.62 0.00 2.98 4.81 -1.24 -3.12 118.16 121.35 1qn0 n LYS 70 Ca 0.00 0.20 0.02 0.00 -0.87 0.00 0.00 58.31 57.66 1qn0 n LYS 70 Cb 0.00 -1.51 0.11 0.00 0.02 0.00 0.00 35.03 33.65 1qn0 n LYS 70 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1qn0 n VAL 71 N -3.68 1.60 -0.11 3.15 0.24 -1.24 0.20 118.33 118.50 1qn0 n VAL 71 Ca -0.50 0.40 -0.16 0.00 -2.04 0.00 0.00 64.34 62.04 1qn0 n VAL 71 Cb 0.95 -1.31 -0.05 0.00 -1.47 0.00 0.00 33.84 31.95 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 -1.48 1.51 -0.19 3.34 0.31 -1.26 -4.34 118.33 116.21 1qn0 n VAL 72 Ca 0.01 -0.03 -0.03 0.00 -0.01 0.00 0.00 64.34 64.27 1qn0 n VAL 72 Cb 0.06 -2.19 0.18 0.00 -0.91 0.00 0.00 33.84 30.98 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 -4.40 1.47 -2.53 3.52 8.25 -1.06 -3.38 115.22 117.09 1qn0 n HIS 73 Ca -0.28 -0.78 -0.42 0.00 -0.26 0.00 0.00 57.72 55.98 1qn0 n HIS 73 Cb 0.63 -0.48 -0.03 0.00 1.12 0.00 0.00 29.99 31.24 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 -0.41 7.20 0.00 0.41 1.01 0.53 -4.90 116.67 120.52 1qn0 s ASP 74 Ca 0.33 1.90 0.07 0.00 0.71 0.00 0.00 52.55 55.56 1qn0 s ASP 74 Cb 0.26 -2.58 0.05 0.00 1.01 0.00 0.00 42.92 41.66 1qn0 s ASP 74 CO 0.08 -0.37 0.69 0.00 0.21 0.00 0.00 175.17 175.79 1qn0 n ALA 75 N 3.74 2.53 -1.98 5.23 0.00 -1.26 -3.90 120.51 124.86 1qn0 n ALA 75 Ca 0.07 -0.52 -0.22 0.00 0.00 0.00 0.00 53.44 52.77 1qn0 n ALA 75 Cb 0.48 -0.25 0.06 0.00 0.00 0.00 0.00 19.45 19.74 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 -0.73 2.27 0.27 0.00 2.47 -1.26 -4.93 119.74 117.83 1qn0 s LYS 76 Ca 0.08 -0.96 0.05 0.00 -1.56 0.00 0.00 55.97 53.58 1qn0 s LYS 76 Cb 0.06 -2.46 -0.02 0.00 -1.46 0.00 0.00 37.83 33.95 1qn0 s LYS 76 CO 0.11 -0.94 0.16 0.41 0.16 0.00 0.00 175.35 175.26 1qn0 n GLY 77 N -2.47 3.32 0.00 5.54 0.00 -1.26 -4.83 105.19 105.48 1qn0 n GLY 77 Ca 0.11 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.26 0.56 0.00 -0.02 0.00 -1.26 -4.95 105.19 99.26 1qn0 n GLY 78 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1qn0 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qn0 n ALA 79 N 0.00 0.00 -3.47 4.61 0.00 -1.26 -5.13 120.51 115.26 1qn0 n ALA 79 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1qn0 n ALA 79 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1qn0 n ALA 79 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1qn0 s LYS 80 N 0.00 1.02 0.24 0.00 -2.85 -1.26 -5.18 119.74 111.71 1qn0 s LYS 80 Ca 0.00 -0.33 -0.04 0.00 -1.00 0.00 0.00 55.97 54.60 1qn0 s LYS 80 Cb 0.00 0.47 0.06 0.00 -2.06 0.00 0.00 37.83 36.30 1qn0 s LYS 80 CO 0.00 -0.44 0.30 -0.35 0.10 0.00 0.00 175.35 174.96 1qn0 n PRO 81 N -0.21 -0.61 -1.16 1.78 -0.04 -1.26 -4.76 135.00 128.74 1qn0 n PRO 81 Ca -0.13 -0.46 0.00 0.00 -0.04 0.00 0.00 63.50 62.87 1qn0 n PRO 81 Cb 0.63 -0.34 0.00 0.00 -0.04 0.00 0.00 33.50 33.75 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 -2.59 0.00 1.28 0.52 -2.24 -1.26 -4.95 114.28 105.04 1qn0 n THR 82 Ca 0.04 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.95 1qn0 n THR 82 Cb 0.14 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 -1.27 0.75 0.20 0.00 2.08 -1.23 -3.99 119.36 115.89 1qn0 n ILE 84 Ca 0.13 -0.25 -0.14 0.00 0.56 0.00 0.00 62.75 63.04 1qn0 n ILE 84 Cb 0.21 -1.23 -0.08 0.00 -0.75 0.00 0.00 39.64 37.79 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 -0.19 -1.18 0.75 4.38 0.87 -1.67 1.93 113.55 118.45 1qn0 h SER 85 Ca -0.31 0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.31 1qn0 h SER 85 Cb 1.40 0.40 0.00 0.00 -0.44 0.00 0.00 62.40 63.76 1qn0 h SER 85 CO -0.11 -0.52 -0.40 0.00 -0.53 0.00 0.00 176.83 175.28 1qn0 h HIS 87 N -1.06 0.91 -0.18 0.00 -0.00 -1.66 0.58 115.15 113.74 1qn0 h HIS 87 Ca -0.10 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.31 1qn0 h HIS 87 Cb 0.83 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.98 1qn0 h HIS 87 CO -0.05 -0.02 0.12 0.87 -0.00 0.00 0.00 177.93 178.84 1qn0 h LYS 88 N 0.45 0.23 -0.98 2.45 1.79 0.39 -0.03 116.57 120.87 1qn0 h LYS 88 Ca 0.67 -0.01 0.09 0.00 -2.18 0.00 0.00 60.65 59.22 1qn0 h LYS 88 Cb 1.48 -0.05 -0.07 0.00 -1.58 0.00 0.00 32.23 32.00 1qn0 h LYS 88 CO -0.48 0.15 0.62 0.22 -1.08 0.00 0.00 179.45 178.88 1qn0 h ASP 89 N 0.24 0.96 -0.60 0.86 1.82 0.13 0.23 116.42 120.06 1qn0 h ASP 89 Ca 0.07 0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 56.71 1qn0 h ASP 89 Cb -0.03 -0.17 -0.03 0.00 0.68 0.00 0.00 39.33 39.79 1qn0 h ASP 89 CO -0.02 0.57 0.30 0.11 -1.61 0.00 0.00 179.24 178.59 1qn0 h LYS 90 N 1.06 0.86 -0.92 0.28 1.79 -0.29 -1.22 116.57 118.14 1qn0 h LYS 90 Ca 0.45 -0.12 -0.24 0.00 -2.18 0.00 0.00 60.65 58.56 1qn0 h LYS 90 Cb 0.31 -0.16 -0.15 0.00 -1.58 0.00 0.00 32.23 30.65 1qn0 h LYS 90 CO -0.21 0.69 0.31 0.00 -1.08 0.00 0.00 179.45 179.15 1qn0 n ALA 91 N -2.33 4.22 -2.40 3.86 0.00 -0.10 -4.78 120.51 118.97 1qn0 n ALA 91 Ca 0.04 -1.72 -0.43 0.00 0.00 0.00 0.00 53.44 51.33 1qn0 n ALA 91 Cb 0.12 -1.23 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 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 -0.51 1.09 0.00 0.00 0.00 0.63 -2.71 107.32 105.82 1qn0 s GLY 92 Ca 0.37 -0.31 0.00 0.00 0.00 0.00 0.00 44.72 44.77 1qn0 s GLY 92 CO 0.08 2.72 0.00 1.34 0.00 0.00 0.00 173.10 177.24 1qn0 n ASP 93 N 8.82 0.00 -4.48 1.64 2.03 -1.26 -4.98 116.55 118.32 1qn0 n ASP 93 Ca 0.15 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 55.03 1qn0 n ASP 93 Cb 0.48 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.81 1qn0 n ASP 93 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1qn0 s ASP 94 N -1.10 6.23 0.17 1.67 -1.08 -1.10 -4.91 116.67 116.56 1qn0 s ASP 94 Ca 0.00 -0.66 -0.02 0.00 -0.52 0.00 0.00 52.55 51.36 1qn0 s ASP 94 Cb 0.00 -2.26 0.03 0.00 -1.46 0.00 0.00 42.92 39.23 1qn0 s ASP 94 CO 0.00 -0.69 1.41 0.11 0.52 0.00 0.00 175.17 176.52 1qn0 h LYS 95 N 8.81 0.39 -0.45 4.34 1.57 -1.94 -2.30 116.57 126.99 1qn0 h LYS 95 Ca -0.26 -0.34 -0.10 0.00 -1.87 0.00 0.00 60.65 58.08 1qn0 h LYS 95 Cb 1.10 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 1qn0 h LYS 95 CO 0.85 0.99 -0.11 1.49 -0.57 0.00 0.00 179.45 182.10 1qn0 h GLU 96 N 0.25 0.87 0.00 3.15 4.81 -1.94 -2.07 114.58 119.66 1qn0 h GLU 96 Ca -0.04 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1qn0 h GLU 96 Cb 1.36 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.69 1qn0 h GLU 96 CO 0.13 0.97 0.00 -0.11 -0.73 0.00 0.00 179.01 179.28 1qn0 n LEU 97 N -4.26 0.58 -1.10 1.64 -0.00 -1.20 -2.30 117.00 110.36 1qn0 n LEU 97 Ca -0.00 0.62 -0.02 0.00 -0.00 0.00 0.00 56.01 56.61 1qn0 n LEU 97 Cb 0.38 -0.51 0.10 0.00 -0.00 0.00 0.00 43.42 43.39 1qn0 n LEU 97 CO 0.44 -0.42 0.56 1.17 -0.00 0.00 0.00 177.39 179.14 1qn0 n LYS 98 N -2.12 1.87 -2.67 1.96 4.81 -0.78 -3.65 118.16 117.59 1qn0 n LYS 98 Ca 0.03 -0.94 -0.09 0.00 -0.87 0.00 0.00 58.31 56.45 1qn0 n LYS 98 Cb 0.27 -1.58 0.04 0.00 0.02 0.00 0.00 35.03 33.78 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 0.12 1.15 0.00 1.64 5.02 -0.97 -3.89 118.16 121.23 1qn0 n LYS 99 Ca 0.12 -3.05 0.00 0.00 -2.02 0.00 0.00 58.31 53.36 1qn0 n LYS 99 Cb 0.67 -1.08 0.00 0.00 -0.02 0.00 0.00 35.03 34.60 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 -0.14 0.00 -0.04 1.97 2.85 -1.24 -4.69 118.16 116.87 1qn0 n LYS 100 Ca 0.07 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.29 1qn0 n LYS 100 Cb 0.82 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 35.07 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 -1.73 0.41 0.00 -5.58 4.77 -1.24 -0.46 117.00 113.16 1qn0 n LEU 101 Ca 0.00 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1qn0 n LEU 101 Cb 0.00 0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1qn0 n LEU 101 CO 0.00 0.31 0.31 0.35 -1.33 0.00 0.00 177.39 177.03 1qn0 n THR 102 N -2.78 0.38 -1.85 -5.08 -2.24 -1.26 -4.85 114.28 96.61 1qn0 n THR 102 Ca -0.19 -0.53 -0.43 0.00 -2.27 0.00 0.00 64.05 60.63 1qn0 n THR 102 Cb 0.97 0.95 -0.03 0.00 -2.10 0.00 0.00 70.33 70.12 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 -0.38 0.98 0.12 3.38 0.00 -1.25 -4.85 107.32 105.31 1qn0 s GLY 103 Ca 0.00 0.70 -0.25 0.00 0.00 0.00 0.00 44.72 45.17 1qn0 s GLY 103 CO 0.00 3.39 1.65 0.00 0.00 0.00 0.00 173.10 178.14 1qn0 s LYS 105 N -6.09 2.05 -0.34 0.00 -2.85 -1.26 -4.69 119.74 106.56 1qn0 s LYS 105 Ca -0.15 -0.81 -0.02 0.00 -1.00 0.00 0.00 55.97 53.99 1qn0 s LYS 105 Cb 0.09 -1.86 0.00 0.00 -2.06 0.00 0.00 37.83 34.00 1qn0 s LYS 105 CO 0.66 0.42 0.29 0.41 0.10 0.00 0.00 175.35 177.23 1qn0 n GLY 106 N 2.75 0.49 3.81 0.59 0.00 -0.61 -4.98 105.19 107.23 1qn0 n GLY 106 Ca -0.17 -0.42 -0.30 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 -3.14 4.32 0.00 1.61 1.04 -0.79 -4.63 113.70 112.10 1qn0 s SER 107 Ca 0.11 -1.46 0.22 0.00 0.48 0.00 0.00 55.95 55.30 1qn0 s SER 107 Cb -0.05 0.38 1.14 0.00 0.10 0.00 0.00 66.02 67.59 1qn0 s SER 107 CO 0.19 -0.91 1.69 0.00 0.98 0.00 0.00 173.24 175.18 1qn0 n ALA 108 N -1.43 2.17 -0.10 5.32 0.00 0.39 -2.70 120.51 124.14 1qn0 n ALA 108 Ca -0.11 -0.11 -0.21 0.00 0.00 0.00 0.00 53.44 53.01 1qn0 n ALA 108 Cb 0.66 -1.35 -0.08 0.00 0.00 0.00 0.00 19.45 18.68 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 -2.39 3.53 -1.23 0.00 4.02 -1.16 -4.40 115.29 113.66 1qn0 s HIS 110 Ca -0.29 -3.19 -0.08 0.00 1.02 0.00 0.00 55.06 52.51 1qn0 s HIS 110 Cb 0.10 -2.88 0.20 0.00 -1.02 0.00 0.00 32.58 28.99 1qn0 s HIS 110 CO 0.40 -0.65 1.74 -0.35 1.02 0.00 0.00 174.74 176.90 1qn0 n PRO 111 N 2.43 3.80 0.00 8.40 -0.04 -1.10 -1.58 135.00 146.91 1qn0 n PRO 111 Ca 0.16 -3.80 0.00 0.00 -0.04 0.00 0.00 63.50 59.81 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 0.43 -0.04 0.00 0.00 175.50 175.89