#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 -7.32 -4.68 6.55 2.03 -1.26 -4.74 116.55 107.12 1qn0 n ASP 2 Ca 0.00 1.75 -0.49 0.00 0.52 0.00 0.00 54.79 56.57 1qn0 n ASP 2 Cb 0.00 -5.26 -0.05 0.00 -0.72 0.00 0.00 41.12 35.09 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 1.81 0.55 -0.99 5.18 3.14 -1.26 -4.88 118.33 121.89 1qn0 n VAL 3 Ca -0.11 -0.10 -0.37 0.00 -2.96 0.00 0.00 64.34 60.81 1qn0 n VAL 3 Cb 0.17 -1.82 0.04 0.00 -1.06 0.00 0.00 33.84 31.17 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 6.50 -0.04 -2.98 1.45 -0.02 -1.26 -4.95 135.00 133.69 1qn0 n PRO 4 Ca 0.23 -0.01 -0.23 0.00 -2.02 0.00 0.00 63.50 61.46 1qn0 n PRO 4 Cb 0.28 -1.05 0.01 0.00 -0.02 0.00 0.00 33.50 32.72 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 3.71 0.88 3.55 0.00 -1.26 -4.68 121.76 121.95 1qn0 s ALA 5 Ca 0.40 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.36 1qn0 s ALA 5 Cb -0.10 -2.18 0.00 0.00 0.00 0.00 0.00 23.12 20.84 1qn0 s ALA 5 CO 0.77 -0.36 0.00 -0.40 0.00 0.00 0.00 175.76 175.77 1qn0 n ASP 6 N -2.08 0.00 -1.20 0.00 5.75 -1.26 -4.32 116.55 113.43 1qn0 n ASP 6 Ca 0.01 0.00 -0.15 0.00 -0.01 0.00 0.00 54.79 54.64 1qn0 n ASP 6 Cb 0.57 0.00 -0.05 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 1.24 3.54 6.12 0.00 -1.26 -4.94 105.19 109.90 1qn0 n GLY 7 Ca 0.00 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.57 3.13 -0.11 4.61 0.00 -1.23 -4.98 121.76 120.61 1qn0 s ALA 8 Ca 0.00 -1.07 -0.16 0.00 0.00 0.00 0.00 51.96 50.73 1qn0 s ALA 8 Cb 0.00 -3.81 -0.05 0.00 0.00 0.00 0.00 23.12 19.27 1qn0 s ALA 8 CO 0.00 -2.42 0.41 -1.59 0.00 0.00 0.00 175.76 172.16 1qn0 s LYS 9 N 4.20 4.23 -0.23 0.00 -2.85 -1.26 -1.81 119.74 122.03 1qn0 s LYS 9 Ca 0.35 0.33 -0.05 0.00 -1.00 0.00 0.00 55.97 55.60 1qn0 s LYS 9 Cb -0.11 -3.39 -0.02 0.00 -2.06 0.00 0.00 37.83 32.26 1qn0 s LYS 9 CO 0.22 0.29 -0.01 0.42 0.10 0.00 0.00 175.35 176.37 1qn0 s ILE 10 N 0.24 3.70 -0.40 3.79 1.01 0.08 -4.95 121.20 124.67 1qn0 s ILE 10 Ca 0.23 -0.38 0.06 0.00 0.00 0.00 0.00 60.65 60.55 1qn0 s ILE 10 Cb -0.15 -2.70 0.17 0.00 0.01 0.00 0.00 42.46 39.80 1qn0 s ILE 10 CO 0.09 0.40 0.51 -0.62 0.00 0.00 0.00 174.94 175.32 1qn0 s ASP 11 N 1.46 -0.22 -0.02 3.58 -1.08 -1.26 -2.38 116.67 116.74 1qn0 s ASP 11 Ca 0.05 -1.27 0.03 0.00 -0.52 0.00 0.00 52.55 50.84 1qn0 s ASP 11 Cb -0.15 1.26 -0.05 0.00 -1.46 0.00 0.00 42.92 42.53 1qn0 s ASP 11 CO -0.01 -0.20 0.03 0.49 0.52 0.00 0.00 175.17 176.00 1qn0 n PHE 12 N 4.20 0.00 -3.18 -5.34 3.72 -1.26 -4.92 117.46 110.68 1qn0 n PHE 12 Ca 0.12 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 57.08 1qn0 n PHE 12 Cb 0.51 -0.14 -0.06 0.00 -0.94 0.00 0.00 39.48 38.85 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 -2.14 4.91 0.06 4.37 1.01 -1.26 -4.93 121.20 123.23 1qn0 s ILE 13 Ca -0.02 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 59.92 1qn0 s ILE 13 Cb 0.01 -4.33 0.00 0.00 0.01 0.00 0.00 42.46 38.16 1qn0 s ILE 13 CO 0.14 -0.86 0.00 0.00 0.00 0.00 0.00 174.94 174.22 1qn0 n ALA 14 N 6.08 -0.67 0.00 9.38 0.00 -1.26 -4.78 120.51 129.25 1qn0 n ALA 14 Ca -0.08 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1qn0 n ALA 14 Cb 0.44 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.66 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 -1.36 2.03 0.00 0.00 0.00 -1.26 -5.00 105.19 99.60 1qn0 n GLY 15 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.79 5.00 -0.02 0.00 -1.26 -4.97 105.19 102.15 1qn0 n GLY 16 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.71 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 0.00 0.00 -1.26 1.61 4.71 -1.26 -4.51 120.64 119.93 1qn0 n GLU 17 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.16 56.95 1qn0 n GLU 17 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 31.44 30.32 1qn0 n GLU 17 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 1qn0 n LYS 18 N 0.00 2.24 -4.01 3.49 2.85 -1.26 -4.88 118.16 116.59 1qn0 n LYS 18 Ca 0.00 -1.72 -0.35 0.00 -1.05 0.00 0.00 58.31 55.19 1qn0 n LYS 18 Cb 0.00 -2.08 -0.09 0.00 -0.65 0.00 0.00 35.03 32.20 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 1.14 5.70 -1.37 -5.58 4.22 -1.26 -4.84 114.94 112.95 1qn0 s ASN 19 Ca 0.63 0.13 -0.16 0.00 -2.14 0.00 0.00 52.86 51.32 1qn0 s ASN 19 Cb 0.35 -1.94 0.06 0.00 1.28 0.00 0.00 41.25 41.00 1qn0 s ASN 19 CO -0.12 0.21 1.95 0.18 -2.04 0.00 0.00 177.10 177.28 1qn0 n LEU 20 N 3.29 5.86 -4.62 3.54 4.77 -1.26 -4.93 117.00 123.64 1qn0 n LEU 20 Ca -0.17 -4.07 -0.43 0.00 -0.03 0.00 0.00 56.01 51.32 1qn0 n LEU 20 Cb 0.53 -1.70 -0.02 0.00 -2.33 0.00 0.00 43.42 39.90 1qn0 n LEU 20 CO 0.35 0.64 1.21 -0.89 -1.33 0.00 0.00 177.39 177.37 1qn0 s THR 21 N 3.53 3.98 -0.18 -5.08 2.01 -1.26 -4.82 115.64 113.82 1qn0 s THR 21 Ca 0.50 1.08 -0.10 0.00 0.31 0.00 0.00 61.69 63.47 1qn0 s THR 21 Cb 0.08 -4.08 -0.05 0.00 0.01 0.00 0.00 72.50 68.46 1qn0 s THR 21 CO -0.00 -0.52 0.16 -0.69 -0.69 0.00 0.00 174.62 172.88 1qn0 s VAL 22 N 4.88 5.40 0.10 3.82 1.01 -1.00 -4.85 120.40 129.75 1qn0 s VAL 22 Ca 0.61 0.27 -0.08 0.00 0.00 0.00 0.00 61.98 62.78 1qn0 s VAL 22 Cb -0.17 -3.49 -0.06 0.00 0.00 0.00 0.00 36.38 32.66 1qn0 s VAL 22 CO 0.27 0.45 0.38 -0.69 0.00 0.00 0.00 175.10 175.52 1qn0 s VAL 23 N 0.20 5.14 0.02 2.92 1.01 -1.26 -0.74 120.40 127.68 1qn0 s VAL 23 Ca 0.11 0.26 -0.02 0.00 0.00 0.00 0.00 61.98 62.33 1qn0 s VAL 23 Cb -0.12 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 1qn0 s VAL 23 CO -0.00 0.19 0.01 0.12 0.00 0.00 0.00 175.10 175.42 1qn0 s PHE 24 N -1.50 0.21 -0.06 5.22 5.36 -0.75 -4.96 117.98 121.50 1qn0 s PHE 24 Ca 0.36 -0.45 0.01 0.00 -0.96 0.00 0.00 56.93 55.89 1qn0 s PHE 24 Cb -0.13 -0.16 0.02 0.00 -0.34 0.00 0.00 43.02 42.41 1qn0 s PHE 24 CO 0.20 -0.22 -0.05 1.21 -1.46 0.00 0.00 175.22 174.90 1qn0 s ASN 25 N -1.49 1.28 0.23 6.13 3.04 -1.26 -3.51 114.94 119.36 1qn0 s ASN 25 Ca -0.15 -0.16 0.24 0.00 0.04 0.00 0.00 52.86 52.84 1qn0 s ASN 25 Cb -0.09 -0.53 0.92 0.00 -1.54 0.00 0.00 41.25 40.02 1qn0 s ASN 25 CO -0.01 -0.08 1.73 1.41 -3.04 0.00 0.00 177.10 177.12 1qn0 n HIS 26 N 4.32 0.83 0.87 0.43 8.25 -1.26 -2.01 115.22 126.65 1qn0 n HIS 26 Ca -0.20 0.29 0.05 0.00 -0.26 0.00 0.00 57.72 57.60 1qn0 n HIS 26 Cb 0.51 -0.97 0.14 0.00 1.12 0.00 0.00 29.99 30.79 1qn0 n HIS 26 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1qn0 n SER 27 N -2.22 1.89 -0.06 0.41 3.41 -1.26 -3.11 113.62 112.68 1qn0 n SER 27 Ca 0.03 -2.06 -0.07 0.00 -0.26 0.00 0.00 58.87 56.51 1qn0 n SER 27 Cb 0.30 -0.27 -0.08 0.00 -0.26 0.00 0.00 64.21 63.90 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 0.77 -1.08 6.66 -1.04 -0.85 -4.51 114.28 114.63 1qn0 n THR 28 Ca 0.11 -0.40 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 1qn0 n THR 28 Cb 0.33 -0.83 0.29 0.00 -1.82 0.00 0.00 70.33 68.30 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 1.74 0.33 -1.42 8.25 -1.24 -4.52 115.22 115.75 1qn0 n HIS 29 Ca -0.21 -1.11 0.19 0.00 -0.26 0.00 0.00 57.72 56.34 1qn0 n HIS 29 Cb 0.82 -0.52 1.02 0.00 1.12 0.00 0.00 29.99 32.43 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 2.29 0.00 -0.01 -0.41 5.09 -1.77 1.59 116.57 123.35 1qn0 h LYS 30 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.89 1qn0 h LYS 30 Cb 1.92 0.00 0.00 0.00 0.10 0.00 0.00 32.23 34.25 1qn0 h LYS 30 CO 0.50 0.00 -0.06 -0.40 -2.09 0.00 0.00 179.45 177.40 1qn0 n ASP 31 N -3.01 0.82 -4.44 7.07 5.75 -1.26 -4.76 116.55 116.72 1qn0 n ASP 31 Ca -0.02 -1.05 -0.33 0.00 -0.01 0.00 0.00 54.79 53.37 1qn0 n ASP 31 Cb 0.22 -0.01 -0.13 0.00 -1.03 0.00 0.00 41.12 40.18 1qn0 n ASP 31 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1qn0 s VAL 32 N -2.20 3.53 0.96 2.12 1.01 0.54 -5.09 120.40 121.27 1qn0 s VAL 32 Ca 0.36 -0.49 -0.13 0.00 0.00 0.00 0.00 61.98 61.72 1qn0 s VAL 32 Cb 0.21 -2.52 0.03 0.00 0.00 0.00 0.00 36.38 34.10 1qn0 s VAL 32 CO 0.41 0.51 0.36 0.29 0.00 0.00 0.00 175.10 176.66 1qn0 n LYS 33 N 3.53 -0.33 0.02 2.72 5.02 -1.26 -4.89 118.16 122.98 1qn0 n LYS 33 Ca -0.18 -0.06 -0.19 0.00 -2.02 0.00 0.00 58.31 55.87 1qn0 n LYS 33 Cb 0.53 -1.83 -0.10 0.00 -0.02 0.00 0.00 35.03 33.60 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 -3.98 0.00 0.26 0.00 5.68 -1.26 -0.24 116.55 117.01 1qn0 n ASP 35 Ca -0.10 0.40 0.17 0.00 -0.50 0.00 0.00 54.79 54.76 1qn0 n ASP 35 Cb 0.80 -0.45 0.80 0.00 -1.14 0.00 0.00 41.12 41.14 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 -1.84 -3.34 116.42 111.94 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 0.18 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.19 1qn0 h ASP 36 CO 0.00 0.00 -0.43 0.00 -1.61 0.00 0.00 179.24 177.20 1qn0 n HIS 38 N -2.60 3.57 -1.59 0.00 8.25 0.66 -4.80 115.22 118.71 1qn0 n HIS 38 Ca 0.00 -2.68 -0.40 0.00 -0.26 0.00 0.00 57.72 54.38 1qn0 n HIS 38 Cb 0.22 -2.47 -0.02 0.00 1.12 0.00 0.00 29.99 28.84 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 7.45 2.55 -4.11 4.41 -0.00 -1.26 -4.34 115.22 119.93 1qn0 n HIS 39 Ca 0.50 -2.99 -0.14 0.00 -0.00 0.00 0.00 57.72 55.09 1qn0 n HIS 39 Cb 0.42 -2.26 -0.11 0.00 -0.00 0.00 0.00 29.99 28.03 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 1.04 0.66 0.70 -1.40 -1.52 -1.26 -5.12 119.66 112.76 1qn0 s GLN 40 Ca 0.63 -0.92 -0.16 0.00 -1.95 0.00 0.00 55.36 52.95 1qn0 s GLN 40 Cb 0.18 -0.41 -0.01 0.00 -0.22 0.00 0.00 33.01 32.55 1qn0 s GLN 40 CO -0.07 0.07 0.93 -0.35 -0.25 0.00 0.00 175.29 175.62 1qn0 n PRO 41 N 1.11 0.56 -0.52 2.91 -0.04 -1.26 -4.31 135.00 133.46 1qn0 n PRO 41 Ca -0.20 0.24 -0.15 0.00 -0.04 0.00 0.00 63.50 63.36 1qn0 n PRO 41 Cb 0.56 -2.18 0.14 0.00 -0.04 0.00 0.00 33.50 31.97 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 1.18 -2.36 5.00 0.55 0.00 -1.26 0.21 105.19 108.51 1qn0 n GLY 42 Ca 0.13 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1qn0 n GLY 42 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1qn0 n ASP 43 N -1.00 0.00 -1.49 1.61 -0.08 -1.26 -3.23 116.55 111.10 1qn0 n ASP 43 Ca 0.06 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.37 1qn0 n ASP 43 Cb 0.29 0.00 0.30 0.00 2.34 0.00 0.00 41.12 44.05 1qn0 n ASP 43 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1qn0 n LYS 44 N 0.00 3.52 -0.32 -0.67 4.81 -1.20 -4.58 118.16 119.72 1qn0 n LYS 44 Ca 0.00 -3.03 0.17 0.00 -0.87 0.00 0.00 58.31 54.58 1qn0 n LYS 44 Cb 0.00 -2.06 0.42 0.00 0.02 0.00 0.00 35.03 33.41 1qn0 n LYS 44 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 1qn0 h GLN 45 N 2.49 0.56 -3.58 1.64 4.15 -0.21 -3.08 115.11 117.08 1qn0 h GLN 45 Ca 0.10 -0.03 -0.77 0.00 0.77 0.00 0.00 58.65 58.72 1qn0 h GLN 45 Cb 1.87 -0.13 -0.30 0.00 0.21 0.00 0.00 27.48 29.13 1qn0 h GLN 45 CO 0.46 0.37 0.16 0.71 -1.93 0.00 0.00 178.83 178.60 1qn0 s TYR 46 N -5.66 3.97 0.28 3.99 2.02 -1.26 -4.18 117.35 116.51 1qn0 s TYR 46 Ca -0.10 -2.59 0.01 0.00 -0.37 0.00 0.00 57.07 54.02 1qn0 s TYR 46 Cb 0.25 -3.64 -0.00 0.00 -0.40 0.00 0.00 41.96 38.17 1qn0 s TYR 46 CO 0.80 -0.90 0.03 0.00 -1.57 0.00 0.00 175.55 173.90 1qn0 n ALA 47 N 3.03 0.28 -1.78 3.71 0.00 -1.17 -5.13 120.51 119.46 1qn0 n ALA 47 Ca 0.19 -1.30 -0.37 0.00 0.00 0.00 0.00 53.44 51.95 1qn0 n ALA 47 Cb 0.41 0.77 -0.04 0.00 0.00 0.00 0.00 19.45 20.58 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 -2.59 2.82 0.12 0.00 0.00 -1.26 -4.95 107.32 101.47 1qn0 s GLY 48 Ca 0.04 0.74 0.03 0.00 0.00 0.00 0.00 44.72 45.54 1qn0 s GLY 48 CO 0.03 1.21 1.26 0.00 0.00 0.00 0.00 173.10 175.61 1qn0 n THR 50 N -3.46 1.24 -1.50 0.00 -2.24 -1.26 -1.35 114.28 105.71 1qn0 n THR 50 Ca -0.03 -0.63 -0.33 0.00 -2.27 0.00 0.00 64.05 60.79 1qn0 n THR 50 Cb 0.94 -0.38 0.08 0.00 -2.10 0.00 0.00 70.33 68.86 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 2.95 0.71 4.28 2.01 -1.16 -3.97 115.64 118.67 1qn0 s THR 51 Ca 0.25 0.41 -0.16 0.00 0.31 0.00 0.00 61.69 62.50 1qn0 s THR 51 Cb 0.19 -2.89 0.00 0.00 0.01 0.00 0.00 72.50 69.81 1qn0 s THR 51 CO 0.08 -0.31 0.97 -0.90 -0.69 0.00 0.00 174.62 173.76 1qn0 n ASP 52 N -2.84 0.50 -1.61 3.53 5.75 -1.26 -1.49 116.55 119.12 1qn0 n ASP 52 Ca 0.11 0.68 -0.18 0.00 -0.01 0.00 0.00 54.79 55.39 1qn0 n ASP 52 Cb 0.52 -1.41 -0.07 0.00 -1.03 0.00 0.00 41.12 39.13 1qn0 n ASP 52 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qn0 n GLY 53 N 1.11 1.49 0.00 6.12 0.00 -1.26 -4.83 105.19 107.82 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 1.71 -2.03 0.00 8.25 -0.45 -4.60 115.22 118.08 1qn0 n HIS 55 Ca 0.00 -1.99 -0.41 0.00 -0.26 0.00 0.00 57.72 55.05 1qn0 n HIS 55 Cb 0.00 -1.31 -0.00 0.00 1.12 0.00 0.00 29.99 29.79 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 0.68 6.55 -3.78 0.41 2.85 -1.22 -3.99 115.26 116.75 1qn0 n ASN 56 Ca 0.47 -3.04 -0.28 0.00 -0.11 0.00 0.00 54.58 51.62 1qn0 n ASN 56 Cb 0.54 -1.46 -0.16 0.00 1.24 0.00 0.00 39.78 39.94 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 0.22 0.76 -2.09 -1.44 -1.09 -1.22 -4.96 121.20 111.37 1qn0 s ILE 57 Ca 0.49 -0.72 0.22 0.00 -2.23 0.00 0.00 60.65 58.42 1qn0 s ILE 57 Cb 0.14 -1.21 0.57 0.00 -1.58 0.00 0.00 42.46 40.38 1qn0 s ILE 57 CO -0.05 -0.19 1.49 0.18 -1.23 0.00 0.00 174.94 175.14 1qn0 n LEU 58 N 4.96 3.78 -3.94 2.97 4.77 -1.26 -3.75 117.00 124.53 1qn0 n LEU 58 Ca -0.10 -1.84 -0.43 0.00 -0.03 0.00 0.00 56.01 53.61 1qn0 n LEU 58 Cb 0.46 -0.41 0.01 0.00 -2.33 0.00 0.00 43.42 41.15 1qn0 n LEU 58 CO 0.14 0.91 1.44 -0.90 -1.33 0.00 0.00 177.39 177.65 1qn0 n ASP 59 N 1.58 6.02 -4.45 -1.43 5.75 -1.26 -4.84 116.55 117.92 1qn0 n ASP 59 Ca 0.23 -3.32 -0.44 0.00 -0.01 0.00 0.00 54.79 51.24 1qn0 n ASP 59 Cb 0.61 -1.34 -0.01 0.00 -1.03 0.00 0.00 41.12 39.35 1qn0 n ASP 59 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1qn0 n LYS 60 N 2.14 0.52 -2.39 0.11 2.85 -1.26 -2.83 118.16 117.30 1qn0 n LYS 60 Ca 0.32 0.18 -0.02 0.00 -1.05 0.00 0.00 58.31 57.74 1qn0 n LYS 60 Cb 0.34 -1.37 0.01 0.00 -0.65 0.00 0.00 35.03 33.35 1qn0 n LYS 60 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1qn0 n ALA 61 N -0.35 -0.15 -2.35 0.58 0.00 -1.26 -5.07 120.51 111.92 1qn0 n ALA 61 Ca 0.13 0.02 -0.25 0.00 0.00 0.00 0.00 53.44 53.34 1qn0 n ALA 61 Cb 0.33 -0.83 -0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 -3.07 4.70 -0.61 0.00 2.15 -1.13 -5.09 116.67 113.61 1qn0 s ASP 62 Ca 0.03 -1.18 0.04 0.00 0.43 0.00 0.00 52.55 51.87 1qn0 s ASP 62 Cb -0.01 0.35 0.15 0.00 -0.30 0.00 0.00 42.92 43.11 1qn0 s ASP 62 CO 0.07 -1.11 0.38 -0.54 -0.17 0.00 0.00 175.17 173.80 1qn0 s LYS 63 N -4.31 2.24 -0.23 4.34 1.02 -1.26 -5.03 119.74 116.51 1qn0 s LYS 63 Ca 0.38 -2.97 -0.31 0.00 0.02 0.00 0.00 55.97 53.08 1qn0 s LYS 63 Cb -0.03 -3.39 0.16 0.00 -0.52 0.00 0.00 37.83 34.06 1qn0 s LYS 63 CO 0.23 -1.20 1.23 0.45 -0.92 0.00 0.00 175.35 175.15 1qn0 s SER 64 N -0.81 -0.14 0.00 2.83 0.15 -1.26 -4.99 113.70 109.47 1qn0 s SER 64 Ca 0.21 0.12 0.25 0.00 0.70 0.00 0.00 55.95 57.22 1qn0 s SER 64 Cb -0.16 0.13 1.47 0.00 -1.71 0.00 0.00 66.02 65.75 1qn0 s SER 64 CO -0.08 -0.16 1.93 0.55 1.20 0.00 0.00 173.24 176.67 1qn0 n VAL 65 N 0.39 0.00 0.05 4.45 3.14 -1.26 -2.57 118.33 122.53 1qn0 n VAL 65 Ca -0.02 0.00 0.09 0.00 -2.96 0.00 0.00 64.34 61.45 1qn0 n VAL 65 Cb 0.58 -0.42 0.27 0.00 -1.06 0.00 0.00 33.84 33.22 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 -0.90 3.34 -4.73 6.55 4.13 -1.26 -4.87 115.26 117.52 1qn0 n ASN 66 Ca 0.18 -2.08 -0.41 0.00 1.68 0.00 0.00 54.58 53.95 1qn0 n ASN 66 Cb 0.08 -0.42 -0.04 0.00 -1.54 0.00 0.00 39.78 37.86 1qn0 n ASN 66 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1qn0 s SER 67 N -0.96 7.27 -0.09 6.41 1.04 -1.06 -3.44 113.70 122.87 1qn0 s SER 67 Ca 0.40 2.01 0.14 0.00 0.48 0.00 0.00 55.95 58.98 1qn0 s SER 67 Cb 0.22 -2.60 0.57 0.00 0.10 0.00 0.00 66.02 64.31 1qn0 s SER 67 CO 0.25 -0.24 1.44 1.87 0.98 0.00 0.00 173.24 177.54 1qn0 n TRP 68 N 2.77 1.19 -0.01 5.02 -0.00 -1.25 -3.60 117.44 121.57 1qn0 n TRP 68 Ca 0.04 -0.47 0.00 0.00 -0.00 0.00 0.00 57.50 57.07 1qn0 n TRP 68 Cb 0.47 -0.21 0.00 0.00 -0.00 0.00 0.00 31.31 31.57 1qn0 n TRP 68 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 177.69 178.67 1qn0 n TYR 69 N 0.82 0.00 -0.13 5.87 4.19 -1.26 -4.57 117.16 122.08 1qn0 n TYR 69 Ca 0.20 0.00 -0.23 0.00 3.31 0.00 0.00 57.90 61.19 1qn0 n TYR 69 Cb 0.73 0.00 -0.11 0.00 0.49 0.00 0.00 39.34 40.45 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 -0.77 0.63 0.00 2.98 4.81 -1.24 -2.85 118.16 121.72 1qn0 n LYS 70 Ca 0.00 0.21 0.03 0.00 -0.87 0.00 0.00 58.31 57.68 1qn0 n LYS 70 Cb 0.00 -1.52 0.16 0.00 0.02 0.00 0.00 35.03 33.69 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 -3.66 1.36 -0.12 3.15 0.24 -1.24 0.21 118.33 118.28 1qn0 n VAL 71 Ca -0.48 0.34 -0.21 0.00 -2.04 0.00 0.00 64.34 61.94 1qn0 n VAL 71 Cb 0.95 -1.22 -0.09 0.00 -1.47 0.00 0.00 33.84 32.01 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 -1.45 1.28 -1.43 3.34 0.31 -1.26 -4.19 118.33 114.93 1qn0 n VAL 72 Ca 0.02 -0.39 -0.22 0.00 -0.01 0.00 0.00 64.34 63.74 1qn0 n VAL 72 Cb 0.08 -1.61 0.13 0.00 -0.91 0.00 0.00 33.84 31.53 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 -3.70 2.55 -2.99 3.52 8.25 -0.93 -3.79 115.22 118.13 1qn0 n HIS 73 Ca -0.44 -2.19 -0.40 0.00 -0.26 0.00 0.00 57.72 54.43 1qn0 n HIS 73 Cb 0.86 -0.90 -0.05 0.00 1.12 0.00 0.00 29.99 31.02 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 -2.10 7.27 -0.01 0.41 1.01 0.56 -4.88 116.67 118.94 1qn0 s ASP 74 Ca 0.55 1.51 0.01 0.00 0.71 0.00 0.00 52.55 55.33 1qn0 s ASP 74 Cb 0.46 -2.48 0.01 0.00 1.01 0.00 0.00 42.92 41.93 1qn0 s ASP 74 CO 0.03 0.08 0.70 0.00 0.21 0.00 0.00 175.17 176.20 1qn0 n ALA 75 N 2.39 1.40 -2.32 5.23 0.00 -1.26 -4.02 120.51 121.94 1qn0 n ALA 75 Ca -0.04 -0.77 -0.36 0.00 0.00 0.00 0.00 53.44 52.27 1qn0 n ALA 75 Cb 0.50 -0.08 0.02 0.00 0.00 0.00 0.00 19.45 19.88 1qn0 n ALA 75 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1qn0 n LYS 76 N -0.17 3.63 0.00 0.00 4.81 -1.26 -5.04 118.16 120.12 1qn0 n LYS 76 Ca 0.01 -4.14 0.00 0.00 -0.87 0.00 0.00 58.31 53.31 1qn0 n LYS 76 Cb 0.48 -2.31 0.00 0.00 0.02 0.00 0.00 35.03 33.21 1qn0 n LYS 76 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1qn0 n GLY 77 N -0.37 0.78 0.00 3.14 0.00 -1.26 -4.97 105.19 102.50 1qn0 n GLY 77 Ca 0.47 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 0.00 0.91 0.42 -0.02 0.00 -1.26 -4.75 105.19 100.49 1qn0 n GLY 78 Ca 0.00 -2.15 0.21 0.00 0.00 0.00 0.00 46.02 44.07 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 2.26 -2.82 4.61 0.00 -2.07 -3.40 119.26 117.83 1qn0 h ALA 79 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1qn0 h ALA 79 Cb 0.00 0.04 -0.13 0.00 0.00 0.00 0.00 17.79 17.70 1qn0 h ALA 79 CO 0.00 -0.97 0.01 -1.59 0.00 0.00 0.00 179.25 176.70 1qn0 s LYS 80 N -4.44 1.12 1.09 0.00 -2.85 -1.26 -5.18 119.74 108.22 1qn0 s LYS 80 Ca -0.03 -0.63 -0.18 0.00 -1.00 0.00 0.00 55.97 54.13 1qn0 s LYS 80 Cb 0.13 0.50 0.25 0.00 -2.06 0.00 0.00 37.83 36.66 1qn0 s LYS 80 CO 0.44 -0.46 1.26 -1.25 0.10 0.00 0.00 175.35 175.45 1qn0 s PRO 81 N -3.74 -0.34 0.00 1.78 0.04 -1.26 -4.87 135.00 126.61 1qn0 s PRO 81 Ca 0.02 -0.39 0.00 0.00 0.04 0.00 0.00 61.00 60.67 1qn0 s PRO 81 Cb 0.01 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.82 1qn0 s PRO 81 CO -0.12 -3.07 0.00 0.25 0.04 0.00 0.00 177.00 174.10 1qn0 n THR 82 N -4.24 0.00 1.60 1.26 -2.24 -1.26 -4.94 114.28 104.46 1qn0 n THR 82 Ca 0.16 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.08 1qn0 n THR 82 Cb 0.59 0.00 0.79 0.00 -2.10 0.00 0.00 70.33 69.61 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 -1.10 0.56 0.21 0.00 2.08 -1.25 -4.04 119.36 115.82 1qn0 n ILE 84 Ca 0.18 -0.18 -0.17 0.00 0.56 0.00 0.00 62.75 63.14 1qn0 n ILE 84 Cb 0.14 -1.20 -0.10 0.00 -0.75 0.00 0.00 39.64 37.73 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 -0.17 -1.47 0.79 4.38 0.02 -1.69 1.93 113.55 117.34 1qn0 h SER 85 Ca -0.24 0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 60.81 1qn0 h SER 85 Cb 1.29 0.51 0.01 0.00 0.14 0.00 0.00 62.40 64.35 1qn0 h SER 85 CO -0.09 -0.62 -0.38 0.00 -1.14 0.00 0.00 176.83 174.60 1qn0 h HIS 87 N -1.16 0.58 -0.01 0.00 -0.00 -1.67 0.61 115.15 113.51 1qn0 h HIS 87 Ca -0.11 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.28 1qn0 h HIS 87 Cb 0.83 -0.16 -0.00 0.00 -0.00 0.00 0.00 27.41 28.07 1qn0 h HIS 87 CO -0.01 -0.03 0.00 0.87 -0.00 0.00 0.00 177.93 178.77 1qn0 h LYS 88 N 0.28 0.01 -0.93 2.45 1.79 0.37 -0.96 116.57 119.57 1qn0 h LYS 88 Ca 0.66 -0.00 0.06 0.00 -2.18 0.00 0.00 60.65 59.19 1qn0 h LYS 88 Cb 1.87 -0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 32.46 1qn0 h LYS 88 CO -0.32 0.13 0.61 0.22 -1.08 0.00 0.00 179.45 179.01 1qn0 h ASP 89 N -0.11 0.94 -0.62 0.86 1.82 0.11 0.37 116.42 119.79 1qn0 h ASP 89 Ca 0.00 0.01 0.01 0.00 -0.39 0.00 0.00 57.03 56.66 1qn0 h ASP 89 Cb 0.13 -0.20 -0.03 0.00 0.68 0.00 0.00 39.33 39.91 1qn0 h ASP 89 CO -0.00 0.60 0.41 0.11 -1.61 0.00 0.00 179.24 178.75 1qn0 h LYS 90 N 1.07 0.82 0.00 0.28 1.79 -0.51 -3.33 116.57 116.69 1qn0 h LYS 90 Ca 0.40 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.82 1qn0 h LYS 90 Cb 0.19 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1qn0 h LYS 90 CO -0.15 0.54 0.00 0.00 -1.08 0.00 0.00 179.45 178.76 1qn0 n ALA 91 N -2.27 0.00 -0.05 3.86 0.00 -0.29 -4.95 120.51 116.80 1qn0 n ALA 91 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1qn0 n ALA 91 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.47 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 1.61 1.88 0.16 0.00 0.00 0.11 -3.14 105.19 105.82 1qn0 n GLY 92 Ca 0.00 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 1qn0 n GLY 92 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1qn0 h ASP 93 N 0.00 0.55 -1.25 1.61 3.04 -1.92 -3.43 116.42 115.02 1qn0 h ASP 93 Ca 0.00 -0.43 -0.52 0.00 -3.24 0.00 0.00 57.03 52.84 1qn0 h ASP 93 Cb 0.00 -0.17 -0.02 0.00 -1.04 0.00 0.00 39.33 38.11 1qn0 h ASP 93 CO 0.00 1.23 1.61 -0.67 -2.04 0.00 0.00 179.24 179.37 1qn0 n ASP 94 N -3.76 2.01 0.03 4.15 -0.08 -1.19 -4.76 116.55 112.95 1qn0 n ASP 94 Ca -0.07 -0.14 -0.06 0.00 -1.51 0.00 0.00 54.79 53.02 1qn0 n ASP 94 Cb 0.83 -1.40 0.14 0.00 2.34 0.00 0.00 41.12 43.03 1qn0 n ASP 94 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1qn0 h LYS 95 N 16.40 0.45 0.00 -0.67 1.57 -1.89 -0.43 116.57 132.00 1qn0 h LYS 95 Ca -0.23 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.29 1qn0 h LYS 95 Cb 1.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.59 1qn0 h LYS 95 CO 1.16 0.79 -0.18 0.93 -0.57 0.00 0.00 179.45 181.58 1qn0 h GLU 96 N 0.37 0.00 0.00 3.15 4.39 -1.97 -1.62 114.58 118.90 1qn0 h GLU 96 Ca 0.03 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.61 1qn0 h GLU 96 Cb 0.89 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.52 1qn0 h GLU 96 CO 0.08 0.18 -1.23 1.25 -1.16 0.00 0.00 179.01 178.12 1qn0 h LEU 97 N 0.00 0.00 -1.85 1.33 7.12 -1.79 -3.28 115.31 116.83 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 0.40 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.51 1qn0 h LEU 97 CO 0.02 0.43 0.03 1.17 -0.13 0.00 0.00 178.44 179.96 1qn0 n LYS 98 N -2.87 1.93 -2.71 1.25 4.81 -0.21 -3.45 118.16 116.91 1qn0 n LYS 98 Ca -0.06 -0.85 -0.06 0.00 -0.87 0.00 0.00 58.31 56.47 1qn0 n LYS 98 Cb 0.76 -1.64 0.04 0.00 0.02 0.00 0.00 35.03 34.21 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 1.74 0.00 1.64 4.76 -1.12 -3.88 118.16 121.44 1qn0 n LYS 99 Ca 0.09 -3.51 0.00 0.00 -2.87 0.00 0.00 58.31 52.02 1qn0 n LYS 99 Cb 0.57 -1.56 0.00 0.00 -1.84 0.00 0.00 35.03 32.20 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 -0.42 0.00 -0.01 1.97 2.85 -1.23 -4.66 118.16 116.66 1qn0 n LYS 100 Ca 0.12 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.31 1qn0 n LYS 100 Cb 0.81 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 35.06 1qn0 n LYS 100 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 1qn0 h LEU 101 N 0.00 0.00 -1.39 -5.58 3.38 -1.88 0.12 115.31 109.95 1qn0 h LEU 101 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qn0 h LEU 101 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1qn0 h LEU 101 CO 0.00 0.93 0.00 0.35 0.09 0.00 0.00 178.44 179.81 1qn0 n THR 102 N -3.03 0.24 -1.68 0.22 -2.24 -1.26 -4.86 114.28 101.67 1qn0 n THR 102 Ca -0.15 -0.55 -0.45 0.00 -2.27 0.00 0.00 64.05 60.62 1qn0 n THR 102 Cb 1.01 0.98 -0.04 0.00 -2.10 0.00 0.00 70.33 70.18 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 -0.12 1.45 0.11 3.38 0.00 -1.25 -4.87 105.19 103.89 1qn0 n GLY 103 Ca 0.00 0.75 -0.13 0.00 0.00 0.00 0.00 46.02 46.64 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 -4.11 2.38 -0.21 0.00 2.20 -1.26 -4.73 119.74 114.01 1qn0 s LYS 105 Ca -0.15 -0.65 -0.01 0.00 -0.36 0.00 0.00 55.97 54.81 1qn0 s LYS 105 Cb 0.04 -1.87 0.00 0.00 -1.51 0.00 0.00 37.83 34.49 1qn0 s LYS 105 CO 0.74 0.09 0.18 0.41 -0.36 0.00 0.00 175.35 176.41 1qn0 n GLY 106 N 3.71 0.52 3.82 5.54 0.00 -0.57 -5.01 105.19 113.20 1qn0 n GLY 106 Ca -0.21 -0.46 -0.26 0.00 0.00 0.00 0.00 46.02 45.09 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 -3.13 4.51 0.00 1.61 1.04 -0.30 -4.70 113.70 112.74 1qn0 s SER 107 Ca 0.05 -1.20 0.13 0.00 0.48 0.00 0.00 55.95 55.41 1qn0 s SER 107 Cb -0.02 0.00 0.58 0.00 0.10 0.00 0.00 66.02 66.68 1qn0 s SER 107 CO 0.12 -0.81 1.38 0.00 0.98 0.00 0.00 173.24 174.91 1qn0 n ALA 108 N -1.47 1.64 -0.12 5.32 0.00 0.40 -2.39 120.51 123.89 1qn0 n ALA 108 Ca -0.04 -0.05 -0.23 0.00 0.00 0.00 0.00 53.44 53.13 1qn0 n ALA 108 Cb 0.65 -1.21 -0.10 0.00 0.00 0.00 0.00 19.45 18.79 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 -2.46 3.53 -1.24 0.00 4.02 -1.03 -4.54 115.29 113.57 1qn0 s HIS 110 Ca -0.34 -3.16 -0.09 0.00 1.02 0.00 0.00 55.06 52.50 1qn0 s HIS 110 Cb 0.11 -2.91 0.19 0.00 -1.02 0.00 0.00 32.58 28.95 1qn0 s HIS 110 CO 0.48 -0.67 1.76 -0.35 1.02 0.00 0.00 174.74 176.99 1qn0 n PRO 111 N 2.50 3.74 0.00 8.40 -0.04 -1.01 -1.15 135.00 147.44 1qn0 n PRO 111 Ca 0.15 -3.74 0.00 0.00 -0.04 0.00 0.00 63.50 59.88 1qn0 n PRO 111 Cb 0.35 -2.86 0.00 0.00 -0.04 0.00 0.00 33.50 30.95 1qn0 n PRO 111 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91