#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 -9.25 -4.68 6.55 9.92 -1.26 -4.73 116.55 113.09 1qn0 n ASP 2 Ca 0.00 1.68 -0.49 0.00 -0.53 0.00 0.00 54.79 55.45 1qn0 n ASP 2 Cb 0.00 -5.09 -0.05 0.00 -0.64 0.00 0.00 41.12 35.34 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 1.82 0.57 -0.98 2.53 3.14 -1.26 -4.88 118.33 119.28 1qn0 n VAL 3 Ca 0.00 -0.11 -0.37 0.00 -2.96 0.00 0.00 64.34 60.91 1qn0 n VAL 3 Cb 0.00 -1.86 0.05 0.00 -1.06 0.00 0.00 33.84 30.97 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 6.67 -0.07 -3.09 1.45 -0.02 -1.26 -4.91 135.00 133.77 1qn0 n PRO 4 Ca 0.23 -0.02 -0.32 0.00 -2.02 0.00 0.00 63.50 61.37 1qn0 n PRO 4 Cb 0.29 -1.07 -0.06 0.00 -0.02 0.00 0.00 33.50 32.64 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 -2.03 3.29 0.84 3.55 0.00 -1.26 -4.73 121.76 121.42 1qn0 s ALA 5 Ca 0.40 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.43 1qn0 s ALA 5 Cb -0.08 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.23 1qn0 s ALA 5 CO 0.76 0.29 0.00 -0.40 0.00 0.00 0.00 175.76 176.41 1qn0 n ASP 6 N -0.45 -0.76 -1.26 0.00 5.75 -1.26 -4.35 116.55 114.22 1qn0 n ASP 6 Ca 0.04 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.70 1qn0 n ASP 6 Cb 0.53 0.00 -0.02 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 0.19 3.75 6.12 0.00 -1.26 -4.98 105.19 109.00 1qn0 n GLY 7 Ca 0.00 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.56 3.33 -0.10 4.61 0.00 -1.21 -4.97 121.76 120.86 1qn0 s ALA 8 Ca 0.00 0.57 0.02 0.00 0.00 0.00 0.00 51.96 52.55 1qn0 s ALA 8 Cb 0.00 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 19.91 1qn0 s ALA 8 CO 0.00 0.16 -0.15 0.15 0.00 0.00 0.00 175.76 175.92 1qn0 s LYS 9 N -0.86 3.01 -0.16 0.00 -0.14 -1.26 -2.31 119.74 118.03 1qn0 s LYS 9 Ca 0.42 -0.72 -0.00 0.00 -1.36 0.00 0.00 55.97 54.31 1qn0 s LYS 9 Cb -0.25 -2.49 -0.00 0.00 -1.68 0.00 0.00 37.83 33.40 1qn0 s LYS 9 CO 0.31 0.36 -0.14 0.42 -0.76 0.00 0.00 175.35 175.54 1qn0 s ILE 10 N -0.05 2.81 -0.40 2.17 1.01 0.64 -4.98 121.20 122.39 1qn0 s ILE 10 Ca -0.03 -0.72 0.07 0.00 0.00 0.00 0.00 60.65 59.96 1qn0 s ILE 10 Cb -0.14 -2.20 0.18 0.00 0.01 0.00 0.00 42.46 40.31 1qn0 s ILE 10 CO 0.04 0.51 0.65 -0.62 0.00 0.00 0.00 174.94 175.52 1qn0 s ASP 11 N 0.80 -1.47 -0.03 3.58 2.15 -1.26 -2.26 116.67 118.17 1qn0 s ASP 11 Ca -0.05 -0.70 0.05 0.00 0.43 0.00 0.00 52.55 52.28 1qn0 s ASP 11 Cb -0.15 1.88 -0.07 0.00 -0.30 0.00 0.00 42.92 44.28 1qn0 s ASP 11 CO 0.00 -0.17 0.06 0.49 -0.17 0.00 0.00 175.17 175.38 1qn0 n PHE 12 N 4.43 0.00 -3.21 -5.34 3.72 -1.26 -4.89 117.46 110.91 1qn0 n PHE 12 Ca 0.10 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 57.05 1qn0 n PHE 12 Cb 0.57 -0.19 -0.04 0.00 -0.94 0.00 0.00 39.48 38.87 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 -2.22 5.08 1.10 4.37 1.01 -1.26 -4.98 121.20 124.30 1qn0 s ILE 13 Ca -0.02 -1.43 -0.12 0.00 0.00 0.00 0.00 60.65 59.08 1qn0 s ILE 13 Cb 0.02 -4.44 0.25 0.00 0.01 0.00 0.00 42.46 38.29 1qn0 s ILE 13 CO 0.21 -1.03 1.05 0.00 0.00 0.00 0.00 174.94 175.17 1qn0 s ALA 14 N 1.91 0.08 0.00 9.38 0.00 -1.26 -4.72 121.76 127.15 1qn0 s ALA 14 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1qn0 s ALA 14 Cb -0.24 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1qn0 s ALA 14 CO 0.02 -3.48 0.00 0.41 0.00 0.00 0.00 175.76 172.72 1qn0 n GLY 15 N 0.22 4.02 3.54 0.00 0.00 -1.23 -5.03 105.19 106.71 1qn0 n GLY 15 Ca 0.04 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 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 1.83 5.00 -0.02 0.00 -1.26 -4.45 105.19 106.29 1qn0 n GLY 16 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1qn0 n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qn0 n GLU 17 N 8.21 0.00 0.00 1.61 -0.58 -1.26 -4.82 120.64 123.80 1qn0 n GLU 17 Ca 0.47 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.21 1qn0 n GLU 17 Cb 0.46 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.33 1qn0 n GLU 17 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1qn0 n LYS 18 N 0.00 0.31 0.00 3.49 2.85 -1.26 -5.11 118.16 118.44 1qn0 n LYS 18 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1qn0 n LYS 18 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1qn0 n LYS 18 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1qn0 n ASN 19 N -1.59 0.00 -4.56 -5.58 2.04 -1.26 -3.51 115.26 100.80 1qn0 n ASN 19 Ca 0.00 0.00 -0.34 0.00 -0.44 0.00 0.00 54.58 53.80 1qn0 n ASN 19 Cb 0.00 0.00 -0.04 0.00 -2.53 0.00 0.00 39.78 37.21 1qn0 n ASN 19 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 1qn0 s LEU 20 N 0.00 3.32 -0.38 -4.53 1.43 -1.26 -4.93 118.68 112.33 1qn0 s LEU 20 Ca 0.00 -0.97 -0.27 0.00 -1.03 0.00 0.00 54.13 51.86 1qn0 s LEU 20 Cb 0.00 -2.56 0.02 0.00 0.03 0.00 0.00 46.19 43.67 1qn0 s LEU 20 CO 0.00 -2.13 0.98 -0.89 0.23 0.00 0.00 176.35 174.54 1qn0 s THR 21 N 7.56 4.51 0.01 5.49 2.01 -1.26 -4.81 115.64 129.15 1qn0 s THR 21 Ca 0.58 1.27 -0.04 0.00 0.31 0.00 0.00 61.69 63.80 1qn0 s THR 21 Cb -0.04 -4.39 -0.04 0.00 0.01 0.00 0.00 72.50 68.04 1qn0 s THR 21 CO -0.03 -0.61 0.23 -0.69 -0.69 0.00 0.00 174.62 172.83 1qn0 s VAL 22 N 3.65 5.37 0.07 3.82 1.01 -0.96 -4.88 120.40 128.48 1qn0 s VAL 22 Ca 0.41 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.36 1qn0 s VAL 22 Cb -0.11 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1qn0 s VAL 22 CO 0.20 0.30 0.02 -0.69 0.00 0.00 0.00 175.10 174.93 1qn0 s VAL 23 N -1.36 4.15 -0.05 2.92 1.01 -1.26 -0.26 120.40 125.55 1qn0 s VAL 23 Ca 0.29 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 1qn0 s VAL 23 Cb -0.13 -2.96 0.03 0.00 0.00 0.00 0.00 36.38 33.33 1qn0 s VAL 23 CO 0.19 0.18 0.12 0.12 0.00 0.00 0.00 175.10 175.71 1qn0 s PHE 24 N -1.28 -0.13 -0.18 5.22 5.36 -0.98 -4.97 117.98 121.03 1qn0 s PHE 24 Ca 0.25 0.40 -0.01 0.00 -0.96 0.00 0.00 56.93 56.60 1qn0 s PHE 24 Cb -0.12 -0.08 -0.01 0.00 -0.34 0.00 0.00 43.02 42.48 1qn0 s PHE 24 CO 0.17 -0.13 -0.11 -0.80 -1.46 0.00 0.00 175.22 172.89 1qn0 s ASN 25 N 0.92 3.99 0.36 6.13 0.01 -1.26 -3.36 114.94 121.74 1qn0 s ASN 25 Ca -0.07 -0.41 0.27 0.00 -0.71 0.00 0.00 52.86 51.94 1qn0 s ASN 25 Cb -0.09 -1.64 0.95 0.00 0.41 0.00 0.00 41.25 40.87 1qn0 s ASN 25 CO -0.04 0.06 1.79 0.45 -1.51 0.00 0.00 177.10 177.85 1qn0 h HIS 26 N 7.49 0.00 -0.30 2.20 3.86 -1.89 -2.38 115.15 124.12 1qn0 h HIS 26 Ca -0.35 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.86 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 0.53 0.00 0.00 -1.13 0.86 0.00 0.00 177.93 178.19 1qn0 n SER 27 N -2.64 2.32 -0.05 2.45 3.41 -1.26 -3.35 113.62 114.49 1qn0 n SER 27 Ca 0.03 -2.17 -0.07 0.00 -0.26 0.00 0.00 58.87 56.41 1qn0 n SER 27 Cb 0.35 -0.37 -0.06 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 0.40 0.65 -1.05 6.66 -1.04 -0.90 -4.54 114.28 114.46 1qn0 n THR 28 Ca 0.12 -0.31 -0.03 0.00 -2.04 0.00 0.00 64.05 61.79 1qn0 n THR 28 Cb 0.44 -0.85 0.31 0.00 -1.82 0.00 0.00 70.33 68.41 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 2.23 0.29 -1.42 8.25 -1.24 -4.47 115.22 116.23 1qn0 n HIS 29 Ca -0.18 -1.15 0.18 0.00 -0.26 0.00 0.00 57.72 56.31 1qn0 n HIS 29 Cb 0.75 -0.63 0.94 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 2.65 0.00 -0.01 -0.41 2.10 -1.79 1.69 116.57 120.80 1qn0 h LYS 30 Ca 0.22 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.87 1qn0 h LYS 30 Cb 2.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.53 1qn0 h LYS 30 CO 0.66 0.00 -0.04 -3.47 -2.00 0.00 0.00 179.45 174.60 1qn0 n ASP 31 N -3.22 0.67 -4.37 7.07 -0.08 -1.26 -4.73 116.55 110.63 1qn0 n ASP 31 Ca -0.01 -1.04 -0.34 0.00 -1.51 0.00 0.00 54.79 51.90 1qn0 n ASP 31 Cb 0.28 -0.02 -0.14 0.00 2.34 0.00 0.00 41.12 43.59 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 -2.15 3.34 0.88 5.18 1.01 0.58 -5.09 120.40 124.14 1qn0 s VAL 32 Ca 0.38 -0.54 -0.14 0.00 0.00 0.00 0.00 61.98 61.68 1qn0 s VAL 32 Cb 0.21 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 1qn0 s VAL 32 CO 0.39 0.48 0.28 0.29 0.00 0.00 0.00 175.10 176.54 1qn0 n LYS 33 N 4.01 -0.08 -0.03 2.72 5.02 -1.26 -4.87 118.16 123.67 1qn0 n LYS 33 Ca -0.18 0.02 -0.17 0.00 -2.02 0.00 0.00 58.31 55.96 1qn0 n LYS 33 Cb 0.52 -1.72 -0.07 0.00 -0.02 0.00 0.00 35.03 33.73 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 -4.04 0.00 0.26 0.00 5.75 -1.26 -0.35 116.55 116.91 1qn0 n ASP 35 Ca -0.07 0.38 0.17 0.00 -0.01 0.00 0.00 54.79 55.27 1qn0 n ASP 35 Cb 0.68 -0.44 0.81 0.00 -1.03 0.00 0.00 41.12 41.14 1qn0 n ASP 35 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 1qn0 h ASP 36 N 0.00 0.00 0.00 -1.12 1.82 -1.78 -3.34 116.42 111.99 1qn0 h ASP 36 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1qn0 h ASP 36 Cb 0.17 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.18 1qn0 h ASP 36 CO 0.00 0.00 -0.46 0.00 -1.61 0.00 0.00 179.24 177.17 1qn0 s HIS 38 N -1.94 2.54 -0.65 0.00 3.76 0.53 -4.77 115.29 114.76 1qn0 s HIS 38 Ca 0.00 -1.02 -0.03 0.00 -0.15 0.00 0.00 55.06 53.87 1qn0 s HIS 38 Cb 0.00 -4.56 0.24 0.00 1.11 0.00 0.00 32.58 29.37 1qn0 s HIS 38 CO 0.00 -1.68 2.32 -2.39 -0.85 0.00 0.00 174.74 172.14 1qn0 n HIS 39 N 9.97 2.37 -4.42 1.40 -0.00 -1.26 -4.28 115.22 119.01 1qn0 n HIS 39 Ca 0.46 -2.21 -0.34 0.00 -0.00 0.00 0.00 57.72 55.63 1qn0 n HIS 39 Cb 0.47 -1.27 -0.11 0.00 -0.00 0.00 0.00 29.99 29.08 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 -3.00 3.16 0.41 -1.40 1.11 -1.25 -5.11 119.66 113.57 1qn0 s GLN 40 Ca 0.55 -0.46 -0.11 0.00 0.01 0.00 0.00 55.36 55.34 1qn0 s GLN 40 Cb 0.41 -2.80 -0.07 0.00 -1.01 0.00 0.00 33.01 29.54 1qn0 s GLN 40 CO -0.29 0.56 0.78 -1.25 0.01 0.00 0.00 175.29 175.10 1qn0 s PRO 41 N -0.49 3.81 0.00 2.91 0.04 -1.26 -4.25 135.00 135.76 1qn0 s PRO 41 Ca 0.08 0.52 0.00 0.00 0.04 0.00 0.00 61.00 61.64 1qn0 s PRO 41 Cb -0.12 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 32.04 1qn0 s PRO 41 CO 0.02 -0.04 0.00 0.41 0.04 0.00 0.00 177.00 177.43 1qn0 n GLY 42 N -1.24 0.05 0.32 0.56 0.00 -1.26 -4.41 105.19 99.21 1qn0 n GLY 42 Ca 0.03 -1.78 0.19 0.00 0.00 0.00 0.00 46.02 44.45 1qn0 n GLY 42 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1qn0 h ASP 43 N 0.00 0.00 -0.60 1.61 3.32 -2.03 -1.62 116.42 117.10 1qn0 h ASP 43 Ca 0.00 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.70 1qn0 h ASP 43 Cb 0.00 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.42 1qn0 h ASP 43 CO 0.00 0.00 0.28 1.17 -1.72 0.00 0.00 179.24 178.97 1qn0 n LYS 44 N -2.92 1.98 -0.00 3.56 3.00 -1.26 -4.54 118.16 117.99 1qn0 n LYS 44 Ca -0.02 -1.67 0.22 0.00 -0.00 0.00 0.00 58.31 56.84 1qn0 n LYS 44 Cb 0.17 -1.81 0.72 0.00 0.00 0.00 0.00 35.03 34.12 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 2.17 0.00 -4.43 1.64 4.15 -1.47 -3.31 115.11 113.87 1qn0 h GLN 45 Ca 0.29 0.00 -0.71 0.00 0.77 0.00 0.00 58.65 59.00 1qn0 h GLN 45 Cb 0.92 0.00 -0.30 0.00 0.21 0.00 0.00 27.48 28.31 1qn0 h GLN 45 CO 0.69 0.00 -0.47 0.71 -1.93 0.00 0.00 178.83 177.82 1qn0 s TYR 46 N -4.84 3.42 0.32 3.99 2.02 -1.26 -3.90 117.35 117.10 1qn0 s TYR 46 Ca -0.05 -1.86 0.07 0.00 -0.37 0.00 0.00 57.07 54.86 1qn0 s TYR 46 Cb 0.18 -3.14 -0.03 0.00 -0.40 0.00 0.00 41.96 38.57 1qn0 s TYR 46 CO 0.67 -0.92 0.26 0.00 -1.57 0.00 0.00 175.55 173.99 1qn0 s ALA 47 N 1.33 1.84 0.26 3.71 0.00 -1.25 -5.13 121.76 122.52 1qn0 s ALA 47 Ca 0.05 -2.03 -0.29 0.00 0.00 0.00 0.00 51.96 49.68 1qn0 s ALA 47 Cb -0.24 1.46 -0.09 0.00 0.00 0.00 0.00 23.12 24.25 1qn0 s ALA 47 CO -0.00 -0.65 1.23 0.20 0.00 0.00 0.00 175.76 176.54 1qn0 s GLY 48 N -3.36 2.84 0.26 0.00 0.00 -1.26 -4.92 107.32 100.88 1qn0 s GLY 48 Ca 0.40 1.08 0.12 0.00 0.00 0.00 0.00 44.72 46.32 1qn0 s GLY 48 CO 0.26 1.83 1.54 0.00 0.00 0.00 0.00 173.10 176.73 1qn0 n THR 50 N -3.57 1.94 -1.89 0.00 -2.24 -1.26 -1.64 114.28 105.61 1qn0 n THR 50 Ca -0.00 -0.98 -0.33 0.00 -2.27 0.00 0.00 64.05 60.48 1qn0 n THR 50 Cb 0.68 -0.47 0.03 0.00 -2.10 0.00 0.00 70.33 68.47 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 -2.07 3.68 0.73 4.28 2.01 -1.06 -4.13 115.64 119.09 1qn0 s THR 51 Ca 0.34 0.75 -0.16 0.00 0.31 0.00 0.00 61.69 62.94 1qn0 s THR 51 Cb 0.27 -3.30 -0.00 0.00 0.01 0.00 0.00 72.50 69.48 1qn0 s THR 51 CO 0.09 -0.51 0.83 -0.67 -0.69 0.00 0.00 174.62 173.67 1qn0 n ASP 52 N -2.30 -0.07 -1.99 3.53 2.03 -1.26 -1.63 116.55 114.87 1qn0 n ASP 52 Ca 0.09 0.63 -0.17 0.00 0.52 0.00 0.00 54.79 55.86 1qn0 n ASP 52 Cb 0.53 -1.35 -0.04 0.00 -0.72 0.00 0.00 41.12 39.54 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 1.24 0.48 0.00 0.27 0.00 -1.26 -4.83 105.19 101.09 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 2.14 -2.16 0.00 8.25 -0.65 -4.57 115.22 118.23 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 -1.34 -0.00 0.00 1.12 0.00 0.00 29.99 29.77 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 0.43 6.78 -3.76 0.41 2.85 -1.22 -3.98 115.26 116.76 1qn0 n ASN 56 Ca 0.51 -3.14 -0.28 0.00 -0.11 0.00 0.00 54.58 51.56 1qn0 n ASN 56 Cb 0.42 -1.41 -0.16 0.00 1.24 0.00 0.00 39.78 39.87 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 -0.57 0.69 -1.07 -1.44 -1.09 -1.21 -5.03 121.20 111.48 1qn0 s ILE 57 Ca 0.47 -0.70 -0.05 0.00 -2.23 0.00 0.00 60.65 58.14 1qn0 s ILE 57 Cb 0.14 -1.18 0.30 0.00 -1.58 0.00 0.00 42.46 40.14 1qn0 s ILE 57 CO -0.05 -0.22 1.33 0.18 -1.23 0.00 0.00 174.94 174.95 1qn0 n LEU 58 N 4.98 6.01 -3.65 2.97 4.77 -1.26 -3.66 117.00 127.16 1qn0 n LEU 58 Ca -0.09 -5.18 -0.03 0.00 -0.03 0.00 0.00 56.01 50.68 1qn0 n LEU 58 Cb 0.46 -1.30 -0.05 0.00 -2.33 0.00 0.00 43.42 40.20 1qn0 n LEU 58 CO 0.14 1.61 0.24 -0.62 -1.33 0.00 0.00 177.39 177.43 1qn0 s ASP 59 N -0.94 -0.99 -0.27 -1.43 -1.08 -1.26 -4.99 116.67 105.71 1qn0 s ASP 59 Ca 0.31 1.48 -0.03 0.00 -0.52 0.00 0.00 52.55 53.79 1qn0 s ASP 59 Cb 0.01 2.01 0.00 0.00 -1.46 0.00 0.00 42.92 43.48 1qn0 s ASP 59 CO 0.04 -0.22 2.77 0.29 0.52 0.00 0.00 175.17 178.57 1qn0 n LYS 60 N 5.24 2.05 0.00 4.34 5.02 -1.26 -3.87 118.16 129.69 1qn0 n LYS 60 Ca -0.13 -1.63 0.00 0.00 -2.02 0.00 0.00 58.31 54.53 1qn0 n LYS 60 Cb 0.51 -1.90 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 1qn0 n LYS 60 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qn0 n ALA 61 N 1.24 0.00 -2.66 7.82 0.00 -1.26 -5.15 120.51 120.50 1qn0 n ALA 61 Ca 0.39 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.52 1qn0 n ALA 61 Cb 0.65 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.04 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 4.25 -0.44 0.00 2.15 -1.25 -5.11 116.67 116.26 1qn0 s ASP 62 Ca 0.00 -1.52 0.03 0.00 0.43 0.00 0.00 52.55 51.49 1qn0 s ASP 62 Cb 0.00 0.40 0.15 0.00 -0.30 0.00 0.00 42.92 43.18 1qn0 s ASP 62 CO 0.00 -0.87 0.30 -0.54 -0.17 0.00 0.00 175.17 173.89 1qn0 s LYS 63 N -3.96 1.12 -0.17 4.34 1.02 -1.26 -5.07 119.74 115.75 1qn0 s LYS 63 Ca 0.15 -2.06 -0.35 0.00 0.02 0.00 0.00 55.97 53.74 1qn0 s LYS 63 Cb 0.01 -1.88 0.14 0.00 -0.52 0.00 0.00 37.83 35.58 1qn0 s LYS 63 CO 0.09 -1.28 1.23 -1.12 -0.92 0.00 0.00 175.35 173.35 1qn0 s SER 64 N 0.18 -0.12 0.00 2.83 0.01 -1.26 -4.99 113.70 110.35 1qn0 s SER 64 Ca 0.24 -0.02 0.09 0.00 1.31 0.00 0.00 55.95 57.57 1qn0 s SER 64 Cb -0.11 0.14 0.39 0.00 0.21 0.00 0.00 66.02 66.65 1qn0 s SER 64 CO -0.09 -0.23 1.28 0.55 0.41 0.00 0.00 173.24 175.15 1qn0 n VAL 65 N -0.15 0.16 -0.52 3.43 3.14 -1.26 -2.99 118.33 120.14 1qn0 n VAL 65 Ca -0.01 -0.18 0.10 0.00 -2.96 0.00 0.00 64.34 61.29 1qn0 n VAL 65 Cb 0.59 0.06 0.32 0.00 -1.06 0.00 0.00 33.84 33.75 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 -0.16 4.26 -4.72 6.55 4.13 -1.26 -4.85 115.26 119.20 1qn0 n ASN 66 Ca 0.08 -2.29 -0.41 0.00 1.68 0.00 0.00 54.58 53.63 1qn0 n ASN 66 Cb 0.14 -0.51 -0.04 0.00 -1.54 0.00 0.00 39.78 37.83 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 -1.01 7.35 -0.09 6.41 1.04 -1.16 -3.36 113.70 122.88 1qn0 s SER 67 Ca 0.47 1.84 0.14 0.00 0.48 0.00 0.00 55.95 58.87 1qn0 s SER 67 Cb 0.28 -2.58 0.56 0.00 0.10 0.00 0.00 66.02 64.38 1qn0 s SER 67 CO 0.25 -0.22 1.44 1.87 0.98 0.00 0.00 173.24 177.56 1qn0 n TRP 68 N 3.25 1.16 -0.06 5.02 -0.00 -1.24 -3.57 117.44 122.00 1qn0 n TRP 68 Ca 0.05 -0.46 0.00 0.00 -0.00 0.00 0.00 57.50 57.08 1qn0 n TRP 68 Cb 0.49 -0.20 0.00 0.00 -0.00 0.00 0.00 31.31 31.60 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 0.84 0.00 -0.09 5.87 4.19 -1.26 -4.60 117.16 122.11 1qn0 n TYR 69 Ca 0.20 0.00 -0.14 0.00 3.31 0.00 0.00 57.90 61.27 1qn0 n TYR 69 Cb 0.72 0.00 -0.08 0.00 0.49 0.00 0.00 39.34 40.47 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 -0.25 0.44 0.00 2.98 4.81 -1.23 -3.52 118.16 121.38 1qn0 n LYS 70 Ca 0.00 0.12 0.05 0.00 -0.87 0.00 0.00 58.31 57.61 1qn0 n LYS 70 Cb 0.02 -1.31 0.23 0.00 0.02 0.00 0.00 35.03 33.99 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 -3.22 0.88 -0.11 3.15 0.24 -1.24 0.15 118.33 118.18 1qn0 n VAL 71 Ca -0.33 0.22 -0.19 0.00 -2.04 0.00 0.00 64.34 62.00 1qn0 n VAL 71 Cb 0.82 -1.06 -0.09 0.00 -1.47 0.00 0.00 33.84 32.04 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 -1.32 1.22 -1.49 3.34 0.31 -1.26 -4.30 118.33 114.83 1qn0 n VAL 72 Ca 0.04 -0.39 -0.22 0.00 -0.01 0.00 0.00 64.34 63.76 1qn0 n VAL 72 Cb 0.08 -1.52 0.12 0.00 -0.91 0.00 0.00 33.84 31.61 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 -3.55 2.48 -2.92 3.52 8.25 -0.93 -3.41 115.22 118.66 1qn0 n HIS 73 Ca -0.41 -2.23 -0.44 0.00 -0.26 0.00 0.00 57.72 54.38 1qn0 n HIS 73 Cb 0.86 -0.85 -0.03 0.00 1.12 0.00 0.00 29.99 31.09 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 -2.31 6.50 0.40 0.41 1.01 0.40 -4.83 116.67 118.25 1qn0 s ASP 74 Ca 0.55 -1.76 0.14 0.00 0.71 0.00 0.00 52.55 52.18 1qn0 s ASP 74 Cb 0.45 -2.40 0.83 0.00 1.01 0.00 0.00 42.92 42.81 1qn0 s ASP 74 CO 0.02 -1.16 1.88 0.00 0.21 0.00 0.00 175.17 176.13 1qn0 h ALA 75 N 9.04 1.48 -2.51 5.23 0.00 -1.91 -3.38 119.26 127.21 1qn0 h ALA 75 Ca 0.03 -0.28 -0.50 0.00 0.00 0.00 0.00 54.91 54.16 1qn0 h ALA 75 Cb 1.04 -0.05 0.09 0.00 0.00 0.00 0.00 17.79 18.87 1qn0 h ALA 75 CO 1.13 0.38 0.40 0.21 0.00 0.00 0.00 179.25 181.37 1qn0 s LYS 76 N -4.33 3.07 0.00 0.00 2.20 -1.26 -4.75 119.74 114.67 1qn0 s LYS 76 Ca -0.03 1.48 0.00 0.00 -0.36 0.00 0.00 55.97 57.06 1qn0 s LYS 76 Cb 0.15 -1.98 0.00 0.00 -1.51 0.00 0.00 37.83 34.49 1qn0 s LYS 76 CO 0.71 -1.05 0.00 0.41 -0.36 0.00 0.00 175.35 175.06 1qn0 n GLY 77 N -0.23 -0.65 0.00 5.54 0.00 -1.26 -4.78 105.19 103.81 1qn0 n GLY 77 Ca 0.11 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.79 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 3.24 0.38 0.57 -0.02 0.00 -1.26 -4.84 105.19 103.26 1qn0 n GLY 78 Ca 0.00 -1.77 0.36 0.00 0.00 0.00 0.00 46.02 44.61 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 3.17 -2.82 4.61 0.00 -2.06 -3.40 119.26 118.76 1qn0 h ALA 79 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1qn0 h ALA 79 Cb 0.00 0.10 -0.12 0.00 0.00 0.00 0.00 17.79 17.77 1qn0 h ALA 79 CO 0.00 -1.77 -0.01 -1.59 0.00 0.00 0.00 179.25 175.87 1qn0 s LYS 80 N -4.69 1.23 0.19 0.00 -2.85 -1.26 -5.16 119.74 107.20 1qn0 s LYS 80 Ca -0.04 -0.77 -0.16 0.00 -1.00 0.00 0.00 55.97 54.00 1qn0 s LYS 80 Cb 0.20 0.50 -0.08 0.00 -2.06 0.00 0.00 37.83 36.39 1qn0 s LYS 80 CO 0.67 -0.50 0.62 -1.25 0.10 0.00 0.00 175.35 174.99 1qn0 s PRO 81 N -3.84 4.05 0.00 1.78 0.04 -1.26 -4.87 135.00 130.90 1qn0 s PRO 81 Ca 0.06 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.71 1qn0 s PRO 81 Cb 0.00 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.70 1qn0 s PRO 81 CO -0.08 0.41 0.00 0.25 0.04 0.00 0.00 177.00 177.62 1qn0 n THR 82 N 0.59 0.00 0.00 1.26 -2.24 -1.26 -4.82 114.28 107.81 1qn0 n THR 82 Ca -0.03 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.65 1qn0 n THR 82 Cb 0.52 -1.14 -0.08 0.00 -2.10 0.00 0.00 70.33 67.53 1qn0 n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qn0 h ILE 84 N -0.88 1.24 0.31 0.00 5.03 -1.86 0.45 117.51 121.80 1qn0 h ILE 84 Ca -0.01 -0.89 -0.00 0.00 -0.12 0.00 0.00 64.86 63.84 1qn0 h ILE 84 Cb 0.58 0.60 -0.03 0.00 -3.03 0.00 0.00 36.82 34.94 1qn0 h ILE 84 CO 0.02 0.34 -0.45 0.28 -0.68 0.00 0.00 178.15 177.66 1qn0 h SER 85 N 0.93 -1.28 0.75 1.72 0.02 -1.73 1.63 113.55 115.59 1qn0 h SER 85 Ca 0.20 0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 61.23 1qn0 h SER 85 Cb 0.33 0.44 0.01 0.00 0.14 0.00 0.00 62.40 63.31 1qn0 h SER 85 CO -0.00 -0.54 -0.36 0.00 -1.14 0.00 0.00 176.83 174.78 1qn0 h HIS 87 N -1.21 0.77 0.01 0.00 -0.00 -0.05 0.93 115.15 115.60 1qn0 h HIS 87 Ca -0.10 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.30 1qn0 h HIS 87 Cb 0.79 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.99 1qn0 h HIS 87 CO -0.00 -0.19 -0.04 0.87 -0.00 0.00 0.00 177.93 178.57 1qn0 h LYS 88 N 0.23 -0.07 -1.00 2.45 1.79 0.28 -0.05 116.57 120.19 1qn0 h LYS 88 Ca 0.76 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 59.29 1qn0 h LYS 88 Cb 1.98 0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 32.58 1qn0 h LYS 88 CO -0.54 -0.05 0.65 0.22 -1.08 0.00 0.00 179.45 178.66 1qn0 h ASP 89 N -0.07 1.06 -0.94 0.86 3.58 0.13 0.83 116.42 121.86 1qn0 h ASP 89 Ca 0.01 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.48 1qn0 h ASP 89 Cb 0.08 -0.22 -0.05 0.00 1.72 0.00 0.00 39.33 40.86 1qn0 h ASP 89 CO -0.03 0.69 0.62 0.11 -2.88 0.00 0.00 179.24 177.75 1qn0 h LYS 90 N 1.21 1.22 -0.78 0.28 1.79 -0.22 0.78 116.57 120.86 1qn0 h LYS 90 Ca 0.42 -0.07 -0.08 0.00 -2.18 0.00 0.00 60.65 58.74 1qn0 h LYS 90 Cb 0.12 -0.28 -0.05 0.00 -1.58 0.00 0.00 32.23 30.45 1qn0 h LYS 90 CO -0.16 0.81 0.10 0.00 -1.08 0.00 0.00 179.45 179.12 1qn0 n ALA 91 N -2.36 3.72 -1.92 3.86 0.00 -0.11 -4.62 120.51 119.08 1qn0 n ALA 91 Ca 0.11 -1.46 -0.40 0.00 0.00 0.00 0.00 53.44 51.69 1qn0 n ALA 91 Cb 0.03 -1.14 -0.01 0.00 0.00 0.00 0.00 19.45 18.34 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 0.20 4.98 0.00 0.00 0.00 0.27 -4.11 105.19 106.52 1qn0 n GLY 92 Ca 0.24 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.30 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 2.44 0.00 -4.69 1.61 5.75 -1.26 -5.03 116.55 115.37 1qn0 n ASP 93 Ca 0.62 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.99 1qn0 n ASP 93 Cb 0.26 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.31 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 7.02 0.06 -1.12 -1.08 -1.26 -4.94 116.67 115.35 1qn0 s ASP 94 Ca 0.00 1.24 -0.16 0.00 -0.52 0.00 0.00 52.55 53.11 1qn0 s ASP 94 Cb 0.00 -2.46 -0.19 0.00 -1.46 0.00 0.00 42.92 38.81 1qn0 s ASP 94 CO 0.00 -0.31 1.23 0.11 0.52 0.00 0.00 175.17 176.72 1qn0 h LYS 95 N 7.12 0.62 0.00 4.34 1.57 -1.98 -2.97 116.57 125.27 1qn0 h LYS 95 Ca -0.34 -0.55 -0.03 0.00 -1.87 0.00 0.00 60.65 57.86 1qn0 h LYS 95 Cb 1.16 0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.59 1qn0 h LYS 95 CO 0.81 1.17 -0.17 1.49 -0.57 0.00 0.00 179.45 182.17 1qn0 h GLU 96 N 0.26 0.00 0.00 3.15 4.57 -1.96 -0.52 114.58 120.08 1qn0 h GLU 96 Ca -0.06 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.08 1qn0 h GLU 96 Cb 1.33 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.92 1qn0 h GLU 96 CO 0.14 0.17 -0.19 1.25 -1.18 0.00 0.00 179.01 179.19 1qn0 h LEU 97 N 0.00 0.00 -1.93 1.64 7.12 -1.90 -2.61 115.31 117.63 1qn0 h LEU 97 Ca -0.00 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 57.97 1qn0 h LEU 97 Cb 0.37 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.48 1qn0 h LEU 97 CO 0.02 0.19 0.05 1.17 -0.13 0.00 0.00 178.44 179.74 1qn0 n LYS 98 N -3.27 1.88 -2.62 1.25 4.81 -0.20 -3.73 118.16 116.29 1qn0 n LYS 98 Ca 0.01 -0.86 -0.16 0.00 -0.87 0.00 0.00 58.31 56.44 1qn0 n LYS 98 Cb 0.47 -1.61 0.02 0.00 0.02 0.00 0.00 35.03 33.93 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 0.14 1.94 0.00 1.64 5.02 -0.98 -3.17 118.16 122.75 1qn0 n LYS 99 Ca 0.10 -3.70 0.00 0.00 -2.02 0.00 0.00 58.31 52.69 1qn0 n LYS 99 Cb 0.60 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 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 -0.19 0.00 -0.03 1.97 2.85 -1.25 -4.70 118.16 116.80 1qn0 n LYS 100 Ca 0.20 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.34 1qn0 n LYS 100 Cb 0.75 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.99 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 -1.08 1.16 0.00 -5.58 4.77 -1.24 -0.45 117.00 114.58 1qn0 n LEU 101 Ca 0.00 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1qn0 n LEU 101 Cb 0.00 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1qn0 n LEU 101 CO 0.00 0.52 0.33 0.35 -1.33 0.00 0.00 177.39 177.26 1qn0 n THR 102 N -3.09 0.34 -0.22 -5.08 -2.24 -1.26 -4.86 114.28 97.87 1qn0 n THR 102 Ca -0.24 -0.34 -0.01 0.00 -2.27 0.00 0.00 64.05 61.20 1qn0 n THR 102 Cb 1.07 0.84 0.02 0.00 -2.10 0.00 0.00 70.33 70.16 1qn0 n THR 102 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qn0 n GLY 103 N -0.17 -1.19 2.14 3.38 0.00 -1.19 -4.71 105.19 103.44 1qn0 n GLY 103 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.66 1qn0 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qn0 s LYS 105 N 0.00 0.79 0.00 0.00 2.47 -1.26 -4.80 119.74 116.94 1qn0 s LYS 105 Ca 0.00 -1.27 0.00 0.00 -1.56 0.00 0.00 55.97 53.14 1qn0 s LYS 105 Cb 0.00 -1.95 0.00 0.00 -1.46 0.00 0.00 37.83 34.42 1qn0 s LYS 105 CO 0.00 -1.05 0.00 0.41 0.16 0.00 0.00 175.35 174.87 1qn0 n GLY 106 N 4.51 0.65 0.23 5.54 0.00 -0.36 -5.02 105.19 110.75 1qn0 n GLY 106 Ca 0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.05 0.58 -0.00 1.61 3.41 -0.64 -4.76 113.62 113.78 1qn0 n SER 107 Ca 0.00 -1.10 0.13 0.00 -0.26 0.00 0.00 58.87 57.63 1qn0 n SER 107 Cb 0.27 -0.01 0.75 0.00 -0.26 0.00 0.00 64.21 64.96 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 -2.95 2.65 -0.05 7.33 0.00 0.41 -3.15 120.51 124.75 1qn0 n ALA 108 Ca -0.01 -0.16 -0.10 0.00 0.00 0.00 0.00 53.44 53.17 1qn0 n ALA 108 Cb 0.04 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 18.04 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 -2.18 3.51 -1.25 0.00 4.02 -1.23 -4.60 115.29 113.56 1qn0 s HIS 110 Ca -0.14 -3.14 -0.06 0.00 1.02 0.00 0.00 55.06 52.74 1qn0 s HIS 110 Cb 0.05 -2.92 0.18 0.00 -1.02 0.00 0.00 32.58 28.87 1qn0 s HIS 110 CO 0.17 -0.68 2.07 -0.35 1.02 0.00 0.00 174.74 176.97 1qn0 n PRO 111 N 2.58 4.41 0.00 8.40 -0.04 -1.19 -1.22 135.00 147.94 1qn0 n PRO 111 Ca 0.14 -3.76 0.00 0.00 -0.04 0.00 0.00 63.50 59.84 1qn0 n PRO 111 Cb 0.35 -2.68 0.00 0.00 -0.04 0.00 0.00 33.50 31.13 1qn0 n PRO 111 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89