#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 0.00 -4.49 -1.34 2.03 -1.26 -5.10 116.55 106.39 1qn0 n ASP 2 Ca 0.00 0.00 -0.48 0.00 0.52 0.00 0.00 54.79 54.83 1qn0 n ASP 2 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 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 0.00 0.23 -0.82 5.18 3.14 -1.26 -4.88 118.33 119.92 1qn0 n VAL 3 Ca 0.00 -0.33 -0.34 0.00 -2.96 0.00 0.00 64.34 60.71 1qn0 n VAL 3 Cb 0.00 -1.95 0.11 0.00 -1.06 0.00 0.00 33.84 30.94 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 8.40 -0.52 -3.12 1.45 -0.02 -1.26 -4.95 135.00 134.98 1qn0 n PRO 4 Ca 0.38 -0.13 -0.32 0.00 -2.02 0.00 0.00 63.50 61.41 1qn0 n PRO 4 Cb 0.30 -1.59 -0.06 0.00 -0.02 0.00 0.00 33.50 32.14 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 -2.25 3.33 0.78 3.55 0.00 -1.26 -4.50 121.76 121.42 1qn0 s ALA 5 Ca 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 51.96 52.45 1qn0 s ALA 5 Cb -0.16 -2.75 0.04 0.00 0.00 0.00 0.00 23.12 20.25 1qn0 s ALA 5 CO 0.70 0.30 0.08 -0.40 0.00 0.00 0.00 175.76 176.44 1qn0 n ASP 6 N -0.46 -1.71 -2.94 0.00 5.68 -1.26 -4.31 116.55 111.54 1qn0 n ASP 6 Ca 0.03 -0.08 -0.18 0.00 -0.50 0.00 0.00 54.79 54.06 1qn0 n ASP 6 Cb 0.53 -0.11 0.06 0.00 -1.14 0.00 0.00 41.12 40.47 1qn0 n ASP 6 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qn0 n GLY 7 N -0.43 -0.23 3.40 6.12 0.00 -1.19 -4.98 105.19 107.88 1qn0 n GLY 7 Ca 0.01 0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.26 3.31 0.10 4.61 0.00 -0.56 -4.95 121.76 121.01 1qn0 s ALA 8 Ca 0.37 -1.67 -0.24 0.00 0.00 0.00 0.00 51.96 50.42 1qn0 s ALA 8 Cb -0.17 -2.61 -0.07 0.00 0.00 0.00 0.00 23.12 20.27 1qn0 s ALA 8 CO 0.58 -1.33 0.72 -1.59 0.00 0.00 0.00 175.76 174.13 1qn0 s LYS 9 N 1.58 4.46 -0.13 0.00 -2.85 -1.26 0.58 119.74 122.12 1qn0 s LYS 9 Ca 0.03 1.02 -0.01 0.00 -1.00 0.00 0.00 55.97 56.01 1qn0 s LYS 9 Cb -0.19 -3.29 -0.02 0.00 -2.06 0.00 0.00 37.83 32.27 1qn0 s LYS 9 CO 0.07 0.50 -0.11 0.42 0.10 0.00 0.00 175.35 176.33 1qn0 s ILE 10 N -0.79 3.24 -0.37 3.79 1.01 0.28 -4.95 121.20 123.40 1qn0 s ILE 10 Ca 0.35 -0.60 0.06 0.00 0.00 0.00 0.00 60.65 60.45 1qn0 s ILE 10 Cb -0.21 -2.37 0.19 0.00 0.01 0.00 0.00 42.46 40.08 1qn0 s ILE 10 CO 0.23 0.52 0.66 -0.62 0.00 0.00 0.00 174.94 175.74 1qn0 s ASP 11 N 0.25 -1.45 -0.04 3.58 2.15 -1.26 -2.08 116.67 117.81 1qn0 s ASP 11 Ca -0.08 -0.46 0.05 0.00 0.43 0.00 0.00 52.55 52.49 1qn0 s ASP 11 Cb -0.15 1.86 -0.07 0.00 -0.30 0.00 0.00 42.92 44.27 1qn0 s ASP 11 CO 0.05 -0.19 0.04 0.49 -0.17 0.00 0.00 175.17 175.38 1qn0 n PHE 12 N 4.66 0.00 -3.08 -5.34 3.72 -1.26 -4.82 117.46 111.34 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 0.57 -0.22 -0.00 0.00 -0.94 0.00 0.00 39.48 38.89 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 -2.18 5.34 1.33 4.37 1.01 -1.26 -4.97 121.20 124.84 1qn0 s ILE 13 Ca -0.02 -2.83 -0.19 0.00 0.00 0.00 0.00 60.65 57.61 1qn0 s ILE 13 Cb 0.02 -4.80 0.33 0.00 0.01 0.00 0.00 42.46 38.02 1qn0 s ILE 13 CO 0.21 -1.47 0.89 0.00 0.00 0.00 0.00 174.94 174.58 1qn0 n ALA 14 N 4.73 -4.10 0.00 9.38 0.00 -1.26 -4.71 120.51 124.56 1qn0 n ALA 14 Ca 0.31 -1.59 0.00 0.00 0.00 0.00 0.00 53.44 52.17 1qn0 n ALA 14 Cb 0.42 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 18.11 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 1.53 -0.08 0.00 0.00 0.00 -1.26 -4.96 105.19 100.42 1qn0 n GLY 15 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.10 2.08 2.37 -0.02 0.00 -1.26 -4.83 105.19 102.42 1qn0 n GLY 16 Ca 0.00 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.28 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 0.00 -2.28 -2.60 1.61 4.07 -1.26 -4.68 120.64 115.50 1qn0 n GLU 17 Ca 0.00 0.46 -0.04 0.00 -0.06 0.00 0.00 57.16 57.51 1qn0 n GLU 17 Cb 0.00 -4.98 0.10 0.00 -0.06 0.00 0.00 31.44 26.50 1qn0 n GLU 17 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 1qn0 n LYS 18 N -2.59 1.07 -4.13 5.31 2.85 -1.26 -5.12 118.16 114.28 1qn0 n LYS 18 Ca -0.11 -1.35 -0.34 0.00 -1.05 0.00 0.00 58.31 55.46 1qn0 n LYS 18 Cb 0.55 0.14 -0.10 0.00 -0.65 0.00 0.00 35.03 34.96 1qn0 n LYS 18 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1qn0 s ASN 19 N -0.98 5.42 0.13 -5.58 4.22 -1.26 -4.70 114.94 112.18 1qn0 s ASN 19 Ca 0.14 0.05 -0.30 0.00 -2.14 0.00 0.00 52.86 50.60 1qn0 s ASN 19 Cb 0.35 -1.88 -0.06 0.00 1.28 0.00 0.00 41.25 40.94 1qn0 s ASN 19 CO -0.09 0.20 1.06 -0.76 -2.04 0.00 0.00 177.10 175.47 1qn0 s LEU 20 N 0.22 4.47 -0.27 3.54 1.43 -1.26 -5.02 118.68 121.78 1qn0 s LEU 20 Ca 0.02 1.96 0.01 0.00 -1.03 0.00 0.00 54.13 55.09 1qn0 s LEU 20 Cb -0.13 -3.59 0.06 0.00 0.03 0.00 0.00 46.19 42.56 1qn0 s LEU 20 CO 0.01 -0.21 -0.07 -0.89 0.23 0.00 0.00 176.35 175.42 1qn0 s THR 21 N 0.11 2.47 0.17 5.49 2.01 -1.26 -4.71 115.64 119.92 1qn0 s THR 21 Ca 0.50 -1.54 -0.14 0.00 0.31 0.00 0.00 61.69 60.82 1qn0 s THR 21 Cb -0.27 -2.44 -0.07 0.00 0.01 0.00 0.00 72.50 69.73 1qn0 s THR 21 CO 0.32 -0.06 0.57 -0.69 -0.69 0.00 0.00 174.62 174.07 1qn0 s VAL 22 N 1.16 4.84 -0.19 3.82 1.01 -0.88 -4.84 120.40 125.31 1qn0 s VAL 22 Ca -0.08 0.82 -0.06 0.00 0.00 0.00 0.00 61.98 62.66 1qn0 s VAL 22 Cb -0.20 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 1qn0 s VAL 22 CO -0.04 0.18 0.04 -0.69 0.00 0.00 0.00 175.10 174.59 1qn0 s VAL 23 N -1.54 4.43 0.36 2.92 1.01 -1.26 0.98 120.40 127.30 1qn0 s VAL 23 Ca 0.40 -0.16 0.07 0.00 0.00 0.00 0.00 61.98 62.30 1qn0 s VAL 23 Cb -0.14 -3.00 -0.07 0.00 0.00 0.00 0.00 36.38 33.16 1qn0 s VAL 23 CO 0.19 0.44 -0.02 0.12 0.00 0.00 0.00 175.10 175.84 1qn0 s PHE 24 N 0.67 2.32 -0.18 5.22 5.36 0.20 -4.89 117.98 126.68 1qn0 s PHE 24 Ca 0.02 -0.68 -0.24 0.00 -0.96 0.00 0.00 56.93 55.07 1qn0 s PHE 24 Cb -0.14 -1.51 0.06 0.00 -0.34 0.00 0.00 43.02 41.10 1qn0 s PHE 24 CO 0.02 0.39 0.64 1.21 -1.46 0.00 0.00 175.22 176.01 1qn0 s ASN 25 N -3.61 -0.64 0.08 6.13 2.47 -1.26 -1.50 114.94 116.60 1qn0 s ASN 25 Ca 0.34 1.08 0.14 0.00 0.42 0.00 0.00 52.86 54.85 1qn0 s ASN 25 Cb 0.07 1.06 -0.14 0.00 -1.45 0.00 0.00 41.25 40.80 1qn0 s ASN 25 CO 0.16 -0.34 0.93 0.45 -3.72 0.00 0.00 177.10 174.59 1qn0 h HIS 26 N 4.50 0.00 0.00 0.43 3.86 -1.85 -3.25 115.15 118.84 1qn0 h HIS 26 Ca -0.28 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 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 0.40 0.72 0.00 -1.13 0.86 0.00 0.00 177.93 178.78 1qn0 n SER 27 N -3.03 0.00 -0.03 2.45 3.41 -1.26 -2.03 113.62 113.13 1qn0 n SER 27 Ca -0.09 -0.65 -0.20 0.00 -0.26 0.00 0.00 58.87 57.68 1qn0 n SER 27 Cb 0.89 -0.04 -0.13 0.00 -0.26 0.00 0.00 64.21 64.66 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 -1.04 1.69 -1.13 6.66 -1.04 -1.23 -4.19 114.28 114.02 1qn0 n THR 28 Ca 0.17 -0.64 -0.04 0.00 -2.04 0.00 0.00 64.05 61.49 1qn0 n THR 28 Cb 0.10 -1.60 0.27 0.00 -1.82 0.00 0.00 70.33 67.27 1qn0 n THR 28 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1qn0 n HIS 29 N -3.40 1.98 0.33 -1.42 8.25 -1.11 -4.52 115.22 115.34 1qn0 n HIS 29 Ca -0.35 -1.27 0.19 0.00 -0.26 0.00 0.00 57.72 56.03 1qn0 n HIS 29 Cb 1.03 -0.61 1.00 0.00 1.12 0.00 0.00 29.99 32.54 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 2.08 0.00 -0.01 -0.41 5.09 -1.57 1.68 116.57 123.43 1qn0 h LYS 30 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.98 1qn0 h LYS 30 Cb 2.10 0.00 0.00 0.00 0.10 0.00 0.00 32.23 34.43 1qn0 h LYS 30 CO 0.61 0.00 -0.04 -3.47 -2.09 0.00 0.00 179.45 174.47 1qn0 n ASP 31 N -2.94 1.35 -4.53 7.07 -0.08 -1.26 -4.80 116.55 111.36 1qn0 n ASP 31 Ca -0.02 -1.38 -0.34 0.00 -1.51 0.00 0.00 54.79 51.54 1qn0 n ASP 31 Cb 0.22 0.02 -0.12 0.00 2.34 0.00 0.00 41.12 43.57 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 -2.08 3.80 0.94 5.18 1.01 0.57 -5.09 120.40 124.73 1qn0 s VAL 32 Ca 0.36 -0.41 -0.12 0.00 0.00 0.00 0.00 61.98 61.81 1qn0 s VAL 32 Cb 0.21 -2.62 0.07 0.00 0.00 0.00 0.00 36.38 34.04 1qn0 s VAL 32 CO 0.36 0.54 0.61 0.29 0.00 0.00 0.00 175.10 176.90 1qn0 n LYS 33 N 3.03 -0.35 0.00 2.72 4.76 -1.26 -4.90 118.16 122.17 1qn0 n LYS 33 Ca -0.18 -0.05 -0.18 0.00 -2.87 0.00 0.00 58.31 55.03 1qn0 n LYS 33 Cb 0.53 -2.00 -0.10 0.00 -1.84 0.00 0.00 35.03 31.62 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 -4.12 0.01 0.26 0.00 5.68 -1.26 -0.20 116.55 116.93 1qn0 n ASP 35 Ca -0.10 0.50 0.18 0.00 -0.50 0.00 0.00 54.79 54.87 1qn0 n ASP 35 Cb 0.71 -0.51 0.84 0.00 -1.14 0.00 0.00 41.12 41.03 1qn0 n ASP 35 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 1qn0 h ASP 36 N 0.00 0.00 0.00 -1.12 3.58 -1.84 -3.34 116.42 113.70 1qn0 h ASP 36 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1qn0 h ASP 36 Cb 0.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.19 1qn0 h ASP 36 CO 0.00 0.00 -0.41 0.00 -2.88 0.00 0.00 179.24 175.95 1qn0 n HIS 38 N -2.63 3.75 -1.95 0.00 8.25 0.73 -4.81 115.22 118.55 1qn0 n HIS 38 Ca 0.00 -2.41 -0.40 0.00 -0.26 0.00 0.00 57.72 54.65 1qn0 n HIS 38 Cb 0.21 -2.54 -0.01 0.00 1.12 0.00 0.00 29.99 28.77 1qn0 n HIS 38 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1qn0 n HIS 39 N 9.58 2.64 -4.09 4.41 -0.00 -1.26 -4.30 115.22 122.20 1qn0 n HIS 39 Ca 0.48 -2.86 -0.14 0.00 -0.00 0.00 0.00 57.72 55.21 1qn0 n HIS 39 Cb 0.45 -1.95 -0.12 0.00 -0.00 0.00 0.00 29.99 28.37 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 -0.43 0.59 0.69 -1.40 -1.52 -1.26 -5.10 119.66 111.23 1qn0 s GLN 40 Ca 0.54 -0.79 -0.17 0.00 -1.95 0.00 0.00 55.36 52.99 1qn0 s GLN 40 Cb 0.17 -0.40 -0.00 0.00 -0.22 0.00 0.00 33.01 32.55 1qn0 s GLN 40 CO -0.08 0.08 1.04 -0.35 -0.25 0.00 0.00 175.29 175.73 1qn0 n PRO 41 N 1.45 0.67 -0.64 2.91 -0.04 -1.26 -4.15 135.00 133.93 1qn0 n PRO 41 Ca -0.22 0.28 -0.19 0.00 -0.04 0.00 0.00 63.50 63.33 1qn0 n PRO 41 Cb 0.55 -2.28 0.11 0.00 -0.04 0.00 0.00 33.50 31.83 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 1.08 -2.27 5.00 0.55 0.00 -1.26 0.18 105.19 108.46 1qn0 n GLY 42 Ca 0.14 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 0.06 0.00 -1.13 1.61 -0.08 -1.26 -3.16 116.55 112.59 1qn0 n ASP 43 Ca 0.03 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.33 1qn0 n ASP 43 Cb 0.37 0.00 0.24 0.00 2.34 0.00 0.00 41.12 44.07 1qn0 n ASP 43 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1qn0 n LYS 44 N 0.00 2.62 0.28 -0.67 5.02 -1.17 -4.56 118.16 119.68 1qn0 n LYS 44 Ca 0.00 -2.98 0.15 0.00 -2.02 0.00 0.00 58.31 53.46 1qn0 n LYS 44 Cb 0.00 -1.88 0.84 0.00 -0.02 0.00 0.00 35.03 33.97 1qn0 n LYS 44 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1qn0 h GLN 45 N 1.59 0.00 -2.39 1.97 4.15 0.19 -3.10 115.11 117.52 1qn0 h GLN 45 Ca 0.12 0.00 -0.67 0.00 0.77 0.00 0.00 58.65 58.87 1qn0 h GLN 45 Cb 1.65 0.00 -0.37 0.00 0.21 0.00 0.00 27.48 28.97 1qn0 h GLN 45 CO 0.36 0.07 -0.08 0.66 -1.93 0.00 0.00 178.83 177.90 1qn0 n TYR 46 N -3.56 3.29 -4.09 3.99 4.01 -1.26 -3.99 117.16 115.55 1qn0 n TYR 46 Ca -0.02 -3.55 -0.28 0.00 -0.16 0.00 0.00 57.90 53.88 1qn0 n TYR 46 Cb 0.18 -0.79 -0.02 0.00 -0.31 0.00 0.00 39.34 38.41 1qn0 n TYR 46 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1qn0 s ALA 47 N -2.99 4.46 0.54 -0.72 0.00 -1.17 -5.11 121.76 116.78 1qn0 s ALA 47 Ca 0.40 -0.91 -0.20 0.00 0.00 0.00 0.00 51.96 51.25 1qn0 s ALA 47 Cb 0.16 -0.57 -0.06 0.00 0.00 0.00 0.00 23.12 22.65 1qn0 s ALA 47 CO -0.02 -0.38 1.13 0.20 0.00 0.00 0.00 175.76 176.69 1qn0 s GLY 48 N -4.23 2.64 0.09 0.00 0.00 -1.26 -4.95 107.32 99.62 1qn0 s GLY 48 Ca 0.25 0.84 0.03 0.00 0.00 0.00 0.00 44.72 45.84 1qn0 s GLY 48 CO 0.16 1.20 1.16 0.00 0.00 0.00 0.00 173.10 175.62 1qn0 n THR 50 N -3.40 1.18 -1.48 0.00 -2.24 -1.26 -1.33 114.28 105.76 1qn0 n THR 50 Ca -0.05 -0.61 -0.33 0.00 -2.27 0.00 0.00 64.05 60.80 1qn0 n THR 50 Cb 0.98 -0.37 0.08 0.00 -2.10 0.00 0.00 70.33 68.92 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 -1.77 2.96 0.73 4.28 2.01 -1.19 -3.95 115.64 118.72 1qn0 s THR 51 Ca 0.24 0.41 -0.16 0.00 0.31 0.00 0.00 61.69 62.49 1qn0 s THR 51 Cb 0.18 -2.89 0.01 0.00 0.01 0.00 0.00 72.50 69.82 1qn0 s THR 51 CO 0.07 -0.32 0.98 0.47 -0.69 0.00 0.00 174.62 175.14 1qn0 n ASP 52 N -2.89 0.49 -1.51 3.53 8.00 -1.26 -1.50 116.55 121.42 1qn0 n ASP 52 Ca 0.11 0.65 -0.17 0.00 0.71 0.00 0.00 54.79 56.09 1qn0 n ASP 52 Cb 0.52 -1.41 -0.07 0.00 -0.02 0.00 0.00 41.12 40.13 1qn0 n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qn0 n GLY 53 N 1.05 1.64 0.00 0.44 0.00 -1.26 -4.82 105.19 102.24 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 1.98 -1.98 0.00 8.25 -0.44 -4.58 115.22 118.45 1qn0 n HIS 55 Ca 0.00 -2.09 -0.41 0.00 -0.26 0.00 0.00 57.72 54.96 1qn0 n HIS 55 Cb 0.00 -1.29 -0.00 0.00 1.12 0.00 0.00 29.99 29.81 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 0.40 6.59 -3.80 0.41 2.85 -1.22 -4.00 115.26 116.49 1qn0 n ASN 56 Ca 0.49 -3.01 -0.29 0.00 -0.11 0.00 0.00 54.58 51.66 1qn0 n ASN 56 Cb 0.49 -1.47 -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 0.42 0.87 -0.35 -1.44 -1.09 -1.22 -4.97 121.20 113.40 1qn0 s ILE 57 Ca 0.50 -0.84 0.08 0.00 -2.23 0.00 0.00 60.65 58.16 1qn0 s ILE 57 Cb 0.15 -1.33 0.68 0.00 -1.58 0.00 0.00 42.46 40.38 1qn0 s ILE 57 CO -0.05 -0.22 1.78 0.18 -1.23 0.00 0.00 174.94 175.39 1qn0 n LEU 58 N 4.91 5.91 -3.90 2.97 4.77 -1.26 -3.84 117.00 126.56 1qn0 n LEU 58 Ca -0.09 -3.42 -0.31 0.00 -0.03 0.00 0.00 56.01 52.16 1qn0 n LEU 58 Cb 0.46 -0.75 -0.09 0.00 -2.33 0.00 0.00 43.42 40.70 1qn0 n LEU 58 CO 0.14 0.94 0.13 -0.67 -1.33 0.00 0.00 177.39 176.61 1qn0 n ASP 59 N -0.64 3.60 -4.54 -1.43 -0.08 -1.26 -4.90 116.55 107.30 1qn0 n ASP 59 Ca 0.45 -3.23 -0.43 0.00 -1.51 0.00 0.00 54.79 50.07 1qn0 n ASP 59 Cb 1.41 -0.85 -0.00 0.00 2.34 0.00 0.00 41.12 44.01 1qn0 n ASP 59 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1qn0 n LYS 60 N 1.88 0.99 -2.48 -0.67 2.85 -1.26 -2.77 118.16 116.71 1qn0 n LYS 60 Ca 0.22 0.35 -0.02 0.00 -1.05 0.00 0.00 58.31 57.81 1qn0 n LYS 60 Cb 0.36 -1.72 0.01 0.00 -0.65 0.00 0.00 35.03 33.03 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 -0.32 -0.15 -2.12 0.58 0.00 -1.26 -5.06 120.51 112.18 1qn0 n ALA 61 Ca 0.11 0.03 -0.21 0.00 0.00 0.00 0.00 53.44 53.37 1qn0 n ALA 61 Cb 0.36 -0.92 0.04 0.00 0.00 0.00 0.00 19.45 18.92 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 -3.06 5.05 -0.57 0.00 2.15 -1.11 -5.08 116.67 114.05 1qn0 s ASP 62 Ca 0.04 -0.89 0.04 0.00 0.43 0.00 0.00 52.55 52.18 1qn0 s ASP 62 Cb -0.02 0.19 0.15 0.00 -0.30 0.00 0.00 42.92 42.95 1qn0 s ASP 62 CO 0.07 -1.21 0.36 -0.54 -0.17 0.00 0.00 175.17 173.69 1qn0 s LYS 63 N -4.53 1.91 -0.19 4.34 -0.14 -1.26 -5.04 119.74 114.83 1qn0 s LYS 63 Ca 0.55 -2.73 -0.35 0.00 -1.36 0.00 0.00 55.97 52.08 1qn0 s LYS 63 Cb -0.05 -2.94 0.14 0.00 -1.68 0.00 0.00 37.83 33.30 1qn0 s LYS 63 CO 0.34 -1.22 1.23 -1.12 -0.76 0.00 0.00 175.35 173.82 1qn0 s SER 64 N -0.59 -0.12 -0.03 2.83 0.01 -1.26 -4.99 113.70 109.56 1qn0 s SER 64 Ca 0.22 -0.01 0.06 0.00 1.31 0.00 0.00 55.95 57.53 1qn0 s SER 64 Cb -0.14 0.13 0.23 0.00 0.21 0.00 0.00 66.02 66.46 1qn0 s SER 64 CO -0.09 -0.22 1.08 0.55 0.41 0.00 0.00 173.24 174.98 1qn0 n VAL 65 N -0.12 0.53 -0.23 3.43 3.14 -1.26 -3.11 118.33 120.71 1qn0 n VAL 65 Ca 0.00 -0.37 0.07 0.00 -2.96 0.00 0.00 64.34 61.08 1qn0 n VAL 65 Cb 0.58 -0.05 0.19 0.00 -1.06 0.00 0.00 33.84 33.51 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 0.21 3.17 -4.73 6.55 4.13 -1.26 -4.85 115.26 118.47 1qn0 n ASN 66 Ca 0.08 -2.02 -0.41 0.00 1.68 0.00 0.00 54.58 53.92 1qn0 n ASN 66 Cb 0.33 -0.29 -0.04 0.00 -1.54 0.00 0.00 39.78 38.24 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 7.23 -0.07 6.41 1.04 -1.18 -3.46 113.70 122.66 1qn0 s SER 67 Ca 0.29 2.06 0.14 0.00 0.48 0.00 0.00 55.95 58.92 1qn0 s SER 67 Cb 0.15 -2.60 0.52 0.00 0.10 0.00 0.00 66.02 64.19 1qn0 s SER 67 CO 0.19 -0.27 1.39 1.87 0.98 0.00 0.00 173.24 177.40 1qn0 n TRP 68 N 2.73 1.03 0.00 5.02 -0.00 -1.25 -3.47 117.44 121.51 1qn0 n TRP 68 Ca 0.04 -0.42 0.00 0.00 -0.00 0.00 0.00 57.50 57.12 1qn0 n TRP 68 Cb 0.46 -0.16 -0.00 0.00 -0.00 0.00 0.00 31.31 31.61 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 0.81 0.00 -0.13 5.87 4.19 -1.26 -4.56 117.16 122.07 1qn0 n TYR 69 Ca 0.19 0.00 -0.23 0.00 3.31 0.00 0.00 57.90 61.17 1qn0 n TYR 69 Cb 0.64 0.00 -0.11 0.00 0.49 0.00 0.00 39.34 40.36 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 -0.93 0.63 0.00 2.98 4.81 -1.23 -2.94 118.16 121.48 1qn0 n LYS 70 Ca 0.00 0.20 0.03 0.00 -0.87 0.00 0.00 58.31 57.67 1qn0 n LYS 70 Cb 0.00 -1.51 0.14 0.00 0.02 0.00 0.00 35.03 33.68 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 -3.67 1.37 -0.11 3.15 0.24 -1.23 0.20 118.33 118.29 1qn0 n VAL 71 Ca -0.50 0.34 -0.20 0.00 -2.04 0.00 0.00 64.34 61.94 1qn0 n VAL 71 Cb 0.95 -1.24 -0.07 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 -1.44 1.38 -0.44 3.34 0.31 -1.26 -4.37 118.33 115.86 1qn0 n VAL 72 Ca 0.02 -0.17 -0.06 0.00 -0.01 0.00 0.00 64.34 64.12 1qn0 n VAL 72 Cb 0.07 -1.97 0.20 0.00 -0.91 0.00 0.00 33.84 31.23 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 -4.18 1.80 -2.58 3.52 8.25 -1.04 -3.47 115.22 117.53 1qn0 n HIS 73 Ca -0.36 -0.98 -0.42 0.00 -0.26 0.00 0.00 57.72 55.70 1qn0 n HIS 73 Cb 0.71 -0.57 -0.03 0.00 1.12 0.00 0.00 29.99 31.23 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 -0.57 7.16 0.00 0.41 1.01 0.52 -4.89 116.67 120.31 1qn0 s ASP 74 Ca 0.39 1.68 0.16 0.00 0.71 0.00 0.00 52.55 55.49 1qn0 s ASP 74 Cb 0.31 -2.56 0.02 0.00 1.01 0.00 0.00 42.92 41.70 1qn0 s ASP 74 CO 0.09 -0.50 0.89 0.00 0.21 0.00 0.00 175.17 175.86 1qn0 n ALA 75 N 5.02 3.05 -2.17 5.23 0.00 -1.26 -4.05 120.51 126.33 1qn0 n ALA 75 Ca 0.10 -0.56 -0.31 0.00 0.00 0.00 0.00 53.44 52.67 1qn0 n ALA 75 Cb 0.48 -0.57 -0.04 0.00 0.00 0.00 0.00 19.45 19.32 1qn0 n ALA 75 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1qn0 s LYS 76 N -1.81 3.86 0.32 0.00 2.20 -1.26 -4.92 119.74 118.13 1qn0 s LYS 76 Ca 0.14 0.54 0.07 0.00 -0.36 0.00 0.00 55.97 56.36 1qn0 s LYS 76 Cb 0.13 -2.41 -0.06 0.00 -1.51 0.00 0.00 37.83 33.98 1qn0 s LYS 76 CO 0.37 0.05 -0.04 0.20 -0.36 0.00 0.00 175.35 175.56 1qn0 s GLY 77 N -2.80 2.03 0.00 5.54 0.00 -1.26 -4.81 107.32 106.02 1qn0 s GLY 77 Ca 0.52 -2.02 0.00 0.00 0.00 0.00 0.00 44.72 43.22 1qn0 s GLY 77 CO 0.26 -1.91 0.00 0.61 0.00 0.00 0.00 173.10 172.05 1qn0 n GLY 78 N -0.69 -1.33 0.10 0.20 0.00 -1.26 -4.95 105.19 97.26 1qn0 n GLY 78 Ca -0.05 0.45 -0.15 0.00 0.00 0.00 0.00 46.02 46.27 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 0.07 -2.72 4.61 0.00 -2.07 -3.48 119.26 115.68 1qn0 h ALA 79 Ca 0.00 -0.42 0.02 0.00 0.00 0.00 0.00 54.91 54.51 1qn0 h ALA 79 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.66 1qn0 h ALA 79 CO 0.00 0.06 0.30 -1.59 0.00 0.00 0.00 179.25 178.03 1qn0 s LYS 80 N -3.49 1.12 0.30 0.00 -2.85 -1.26 -5.18 119.74 108.38 1qn0 s LYS 80 Ca -0.15 -0.38 -0.05 0.00 -1.00 0.00 0.00 55.97 54.38 1qn0 s LYS 80 Cb 0.02 0.52 0.07 0.00 -2.06 0.00 0.00 37.83 36.38 1qn0 s LYS 80 CO 0.74 -0.48 0.33 -0.35 0.10 0.00 0.00 175.35 175.69 1qn0 n PRO 81 N -0.28 -0.99 -1.14 1.78 -0.04 -1.26 -4.78 135.00 128.30 1qn0 n PRO 81 Ca -0.14 -0.52 0.00 0.00 -0.04 0.00 0.00 63.50 62.79 1qn0 n PRO 81 Cb 0.64 -0.41 0.00 0.00 -0.04 0.00 0.00 33.50 33.68 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 -2.83 0.00 1.45 0.52 -2.24 -1.26 -4.95 114.28 104.97 1qn0 n THR 82 Ca 0.04 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.96 1qn0 n THR 82 Cb 0.16 0.00 0.73 0.00 -2.10 0.00 0.00 70.33 69.12 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 -1.16 0.59 0.19 0.00 2.08 -1.24 -4.06 119.36 115.75 1qn0 n ILE 84 Ca 0.16 -0.19 -0.15 0.00 0.56 0.00 0.00 62.75 63.13 1qn0 n ILE 84 Cb 0.16 -1.20 -0.08 0.00 -0.75 0.00 0.00 39.64 37.76 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 -0.17 -1.25 0.74 4.38 0.87 -1.69 1.92 113.55 118.35 1qn0 h SER 85 Ca -0.25 0.11 -0.04 0.00 -1.23 0.00 0.00 61.79 60.39 1qn0 h SER 85 Cb 1.30 0.43 0.01 0.00 -0.44 0.00 0.00 62.40 63.70 1qn0 h SER 85 CO -0.09 -0.54 -0.36 0.00 -0.53 0.00 0.00 176.83 175.32 1qn0 h HIS 87 N -1.00 0.73 -0.15 0.00 -0.00 -1.67 0.57 115.15 113.64 1qn0 h HIS 87 Ca -0.10 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.29 1qn0 h HIS 87 Cb 0.76 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.96 1qn0 h HIS 87 CO -0.02 0.00 0.08 0.87 -0.00 0.00 0.00 177.93 178.86 1qn0 h LYS 88 N 0.38 0.20 -0.99 2.45 1.57 0.39 -1.15 116.57 119.42 1qn0 h LYS 88 Ca 0.65 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 59.47 1qn0 h LYS 88 Cb 1.61 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 33.81 1qn0 h LYS 88 CO -0.38 0.22 0.63 0.22 -0.57 0.00 0.00 179.45 179.58 1qn0 h ASP 89 N 0.13 1.00 -0.92 0.86 1.82 0.12 0.90 116.42 120.34 1qn0 h ASP 89 Ca 0.05 0.01 0.01 0.00 -0.39 0.00 0.00 57.03 56.72 1qn0 h ASP 89 Cb 0.08 -0.20 -0.05 0.00 0.68 0.00 0.00 39.33 39.85 1qn0 h ASP 89 CO -0.01 0.63 0.61 0.11 -1.61 0.00 0.00 179.24 178.97 1qn0 h LYS 90 N 1.13 1.21 -0.81 0.28 1.79 -0.49 0.51 116.57 120.19 1qn0 h LYS 90 Ca 0.43 -0.07 -0.11 0.00 -2.18 0.00 0.00 60.65 58.72 1qn0 h LYS 90 Cb 0.20 -0.27 -0.07 0.00 -1.58 0.00 0.00 32.23 30.51 1qn0 h LYS 90 CO -0.18 0.80 0.14 0.00 -1.08 0.00 0.00 179.45 179.13 1qn0 n ALA 91 N -2.35 3.81 -1.63 3.86 0.00 -0.08 -4.62 120.51 119.49 1qn0 n ALA 91 Ca 0.10 -1.50 -0.37 0.00 0.00 0.00 0.00 53.44 51.67 1qn0 n ALA 91 Cb 0.01 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.28 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 0.09 4.66 0.00 0.00 0.00 0.17 -4.03 105.19 106.08 1qn0 n GLY 92 Ca 0.26 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.50 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 2.46 0.00 -4.68 1.61 5.75 -1.26 -5.04 116.55 115.39 1qn0 n ASP 93 Ca 0.67 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 55.04 1qn0 n ASP 93 Cb 0.29 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.35 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 7.11 0.09 -1.12 -1.08 -1.26 -4.93 116.67 115.48 1qn0 s ASP 94 Ca 0.00 1.36 -0.14 0.00 -0.52 0.00 0.00 52.55 53.25 1qn0 s ASP 94 Cb 0.00 -2.50 -0.17 0.00 -1.46 0.00 0.00 42.92 38.78 1qn0 s ASP 94 CO 0.00 -0.40 1.27 0.50 0.52 0.00 0.00 175.17 177.06 1qn0 h LYS 95 N 7.17 0.74 0.00 4.34 3.64 -1.98 -2.96 116.57 127.51 1qn0 h LYS 95 Ca -0.31 -0.63 -0.05 0.00 -1.27 0.00 0.00 60.65 58.39 1qn0 h LYS 95 Cb 1.14 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 1qn0 h LYS 95 CO 0.84 1.24 -0.22 1.49 -2.27 0.00 0.00 179.45 180.53 1qn0 h GLU 96 N 0.45 0.00 0.00 1.90 4.81 -1.96 -0.73 114.58 119.05 1qn0 h GLU 96 Ca -0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1qn0 h GLU 96 Cb 1.41 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.79 1qn0 h GLU 96 CO 0.16 0.22 0.00 1.25 -0.73 0.00 0.00 179.01 179.91 1qn0 h LEU 97 N 0.00 0.00 -1.96 1.64 7.12 -1.90 -2.69 115.31 117.52 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 0.46 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.57 1qn0 h LEU 97 CO 0.03 0.00 0.05 1.17 -0.13 0.00 0.00 178.44 179.56 1qn0 n LYS 98 N -2.94 1.96 -2.66 1.25 4.81 -0.28 -3.66 118.16 116.64 1qn0 n LYS 98 Ca 0.02 -0.92 -0.09 0.00 -0.87 0.00 0.00 58.31 56.45 1qn0 n LYS 98 Cb 0.39 -1.63 0.03 0.00 0.02 0.00 0.00 35.03 33.84 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 1.59 0.00 1.64 4.01 -1.01 -3.96 118.16 120.57 1qn0 n LYS 99 Ca 0.11 -3.47 0.00 0.00 -0.51 0.00 0.00 58.31 54.44 1qn0 n LYS 99 Cb 0.61 -1.46 0.00 0.00 -0.51 0.00 0.00 35.03 33.67 1qn0 n LYS 99 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1qn0 n LYS 100 N -0.25 0.00 -0.01 1.97 2.85 -1.24 -4.67 118.16 116.81 1qn0 n LYS 100 Ca 0.13 0.00 -0.06 0.00 -1.05 0.00 0.00 58.31 57.32 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 1.28 -0.05 0.00 0.00 177.40 178.63 1qn0 n LEU 101 N -2.08 0.87 0.00 -5.58 4.77 -1.25 -1.11 117.00 112.62 1qn0 n LEU 101 Ca 0.00 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1qn0 n LEU 101 Cb 0.00 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1qn0 n LEU 101 CO 0.00 0.33 0.32 0.35 -1.33 0.00 0.00 177.39 177.06 1qn0 n THR 102 N -3.01 0.36 -1.70 -5.08 -2.24 -1.26 -4.85 114.28 96.50 1qn0 n THR 102 Ca -0.15 -0.61 -0.42 0.00 -2.27 0.00 0.00 64.05 60.59 1qn0 n THR 102 Cb 1.00 0.90 -0.03 0.00 -2.10 0.00 0.00 70.33 70.10 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 -0.36 1.19 0.08 3.38 0.00 -1.25 -4.88 107.32 105.47 1qn0 s GLY 103 Ca 0.00 1.11 -0.33 0.00 0.00 0.00 0.00 44.72 45.49 1qn0 s GLY 103 CO 0.00 3.52 1.61 0.00 0.00 0.00 0.00 173.10 178.23 1qn0 s LYS 105 N -6.03 2.04 -0.32 0.00 -2.85 -1.26 -4.65 119.74 106.68 1qn0 s LYS 105 Ca -0.18 -0.83 -0.02 0.00 -1.00 0.00 0.00 55.97 53.94 1qn0 s LYS 105 Cb 0.04 -1.89 0.00 0.00 -2.06 0.00 0.00 37.83 33.92 1qn0 s LYS 105 CO 0.62 0.45 0.28 0.41 0.10 0.00 0.00 175.35 177.21 1qn0 n GLY 106 N 2.66 0.52 3.71 0.59 0.00 -0.33 -5.02 105.19 107.33 1qn0 n GLY 106 Ca -0.16 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.01 3.29 0.00 1.61 3.41 -0.75 -4.75 113.62 116.42 1qn0 n SER 107 Ca -0.01 -3.18 0.11 0.00 -0.26 0.00 0.00 58.87 55.53 1qn0 n SER 107 Cb 0.52 0.27 0.59 0.00 -0.26 0.00 0.00 64.21 65.33 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 -1.47 2.20 -0.11 7.33 0.00 -0.27 -2.69 120.51 125.50 1qn0 n ALA 108 Ca -0.21 -0.12 -0.21 0.00 0.00 0.00 0.00 53.44 52.91 1qn0 n ALA 108 Cb 0.65 -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 -2.39 3.53 -1.22 0.00 4.02 -1.17 -4.29 115.29 113.77 1qn0 s HIS 110 Ca -0.29 -3.22 -0.09 0.00 1.02 0.00 0.00 55.06 52.48 1qn0 s HIS 110 Cb 0.10 -2.85 0.20 0.00 -1.02 0.00 0.00 32.58 29.01 1qn0 s HIS 110 CO 0.40 -0.64 1.70 -0.35 1.02 0.00 0.00 174.74 176.87 1qn0 n PRO 111 N 2.38 3.76 0.00 8.40 -0.04 -1.10 -1.18 135.00 147.22 1qn0 n PRO 111 Ca 0.16 -3.82 0.00 0.00 -0.04 0.00 0.00 63.50 59.80 1qn0 n PRO 111 Cb 0.35 -2.84 0.00 0.00 -0.04 0.00 0.00 33.50 30.97 1qn0 n PRO 111 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89