#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qn1 n ASP 2 N 0.00 0.00 -2.96 6.55 -0.08 -1.26 -4.60 116.55 114.21 1qn1 n ASP 2 Ca 0.00 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.13 1qn1 n ASP 2 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1qn1 n ASP 2 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1qn1 n VAL 3 N 0.00 -0.28 -1.91 5.18 3.14 -1.26 -5.13 118.33 118.07 1qn1 n VAL 3 Ca 0.00 -2.75 0.00 0.00 -2.96 0.00 0.00 64.34 58.63 1qn1 n VAL 3 Cb 0.00 0.01 0.00 0.00 -1.06 0.00 0.00 33.84 32.79 1qn1 n VAL 3 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1qn1 n PRO 4 N 1.29 1.14 0.00 1.45 -0.04 -1.26 -4.90 135.00 132.68 1qn1 n PRO 4 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1qn1 n PRO 4 Cb 0.60 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.06 1qn1 n PRO 4 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qn1 n ALA 5 N -3.00 0.00 -3.72 0.55 0.00 -1.26 -4.97 120.51 108.11 1qn1 n ALA 5 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1qn1 n ALA 5 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1qn1 n ALA 5 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1qn1 s ASP 6 N -3.85 -0.16 -0.97 0.00 1.11 -1.26 -4.75 116.67 106.79 1qn1 s ASP 6 Ca 0.00 -0.34 -0.05 0.00 0.18 0.00 0.00 52.55 52.34 1qn1 s ASP 6 Cb 0.00 0.43 0.01 0.00 1.07 0.00 0.00 42.92 44.42 1qn1 s ASP 6 CO 0.00 -0.79 0.84 0.61 1.18 0.00 0.00 175.17 177.01 1qn1 n GLY 7 N -0.46 -0.15 3.56 0.21 0.00 -1.23 -4.87 105.19 102.25 1qn1 n GLY 7 Ca -0.07 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 1qn1 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qn1 s ALA 8 N -3.24 1.69 -0.35 4.61 0.00 -1.11 -4.85 121.76 118.50 1qn1 s ALA 8 Ca 0.31 -1.64 -0.28 0.00 0.00 0.00 0.00 51.96 50.35 1qn1 s ALA 8 Cb -0.14 -4.58 -0.01 0.00 0.00 0.00 0.00 23.12 18.39 1qn1 s ALA 8 CO 0.54 -4.90 1.73 0.21 0.00 0.00 0.00 175.76 173.33 1qn1 s LYS 9 N 6.89 3.36 -0.35 0.00 2.47 -1.26 -2.22 119.74 128.64 1qn1 s LYS 9 Ca 0.70 1.31 -0.15 0.00 -1.56 0.00 0.00 55.97 56.27 1qn1 s LYS 9 Cb -0.05 -4.17 -0.01 0.00 -1.46 0.00 0.00 37.83 32.13 1qn1 s LYS 9 CO 0.02 -1.83 0.34 0.42 0.16 0.00 0.00 175.35 174.46 1qn1 s ILE 10 N 6.68 5.19 -0.48 5.43 1.01 0.51 -4.94 121.20 134.60 1qn1 s ILE 10 Ca 0.76 -0.06 0.06 0.00 0.00 0.00 0.00 60.65 61.42 1qn1 s ILE 10 Cb -0.21 -3.82 0.24 0.00 0.01 0.00 0.00 42.46 38.68 1qn1 s ILE 10 CO 0.33 -0.11 0.85 -0.67 0.00 0.00 0.00 174.94 175.35 1qn1 n ASP 11 N 5.34 -2.71 0.04 3.58 2.03 -1.26 -1.93 116.55 121.63 1qn1 n ASP 11 Ca -0.10 -3.24 0.01 0.00 0.52 0.00 0.00 54.79 51.98 1qn1 n ASP 11 Cb 0.49 1.65 -0.08 0.00 -0.72 0.00 0.00 41.12 42.46 1qn1 n ASP 11 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 1qn1 h PHE 12 N 4.06 0.00 -2.86 -0.67 0.04 -1.92 -3.43 116.94 112.17 1qn1 h PHE 12 Ca -0.12 0.00 -0.69 0.00 2.80 0.00 0.00 57.97 59.96 1qn1 h PHE 12 Cb 1.02 0.00 -0.19 0.00 2.20 0.00 0.00 35.95 38.98 1qn1 h PHE 12 CO 0.04 0.54 0.23 0.42 -0.60 0.00 0.00 178.31 178.94 1qn1 s ILE 13 N -2.95 4.76 0.67 -0.55 1.01 -1.26 -5.04 121.20 117.84 1qn1 s ILE 13 Ca -0.03 -0.97 -0.10 0.00 0.00 0.00 0.00 60.65 59.55 1qn1 s ILE 13 Cb 0.09 -4.54 0.01 0.00 0.01 0.00 0.00 42.46 38.02 1qn1 s ILE 13 CO 0.81 -1.21 1.04 0.00 0.00 0.00 0.00 174.94 175.58 1qn1 s ALA 14 N 2.84 3.02 -0.02 9.38 0.00 -1.26 -4.71 121.76 131.00 1qn1 s ALA 14 Ca 0.15 -0.42 -0.30 0.00 0.00 0.00 0.00 51.96 51.39 1qn1 s ALA 14 Cb -0.21 -2.92 0.12 0.00 0.00 0.00 0.00 23.12 20.11 1qn1 s ALA 14 CO 0.05 -1.02 1.30 0.20 0.00 0.00 0.00 175.76 176.30 1qn1 s GLY 15 N -4.33 -0.41 0.00 0.00 0.00 -1.26 -5.08 107.32 96.24 1qn1 s GLY 15 Ca 0.57 0.68 0.00 0.00 0.00 0.00 0.00 44.72 45.97 1qn1 s GLY 15 CO 0.50 0.39 0.00 0.61 0.00 0.00 0.00 173.10 174.60 1qn1 n GLY 16 N -0.51 -2.71 2.91 0.20 0.00 -1.26 -4.78 105.19 99.04 1qn1 n GLY 16 Ca -0.08 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 44.68 1qn1 n GLY 16 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1qn1 n GLU 17 N -0.86 0.00 -2.42 1.61 2.13 -1.26 -4.14 120.64 115.70 1qn1 n GLU 17 Ca 0.00 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.78 1qn1 n GLU 17 Cb 0.00 -0.94 0.01 0.00 0.27 0.00 0.00 31.44 30.77 1qn1 n GLU 17 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1qn1 n LYS 18 N 2.02 -1.42 -2.89 5.31 4.01 -1.26 -4.98 118.16 118.95 1qn1 n LYS 18 Ca 0.01 1.48 -0.40 0.00 -0.51 0.00 0.00 58.31 58.90 1qn1 n LYS 18 Cb 0.50 -4.28 -0.06 0.00 -0.51 0.00 0.00 35.03 30.68 1qn1 n LYS 18 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1qn1 s ASN 19 N -2.20 7.44 -0.16 4.39 4.22 -1.26 -4.95 114.94 122.43 1qn1 s ASN 19 Ca 0.13 1.71 -0.14 0.00 -2.14 0.00 0.00 52.86 52.42 1qn1 s ASN 19 Cb -0.04 -2.53 -0.05 0.00 1.28 0.00 0.00 41.25 39.91 1qn1 s ASN 19 CO 0.51 0.13 0.31 -0.76 -2.04 0.00 0.00 177.10 175.25 1qn1 s LEU 20 N -0.85 4.24 0.03 3.54 1.43 -1.26 -5.07 118.68 120.73 1qn1 s LEU 20 Ca 0.39 0.53 0.00 0.00 -1.03 0.00 0.00 54.13 54.02 1qn1 s LEU 20 Cb -0.23 -2.40 -0.02 0.00 0.03 0.00 0.00 46.19 43.56 1qn1 s LEU 20 CO 0.28 0.08 -0.04 -0.89 0.23 0.00 0.00 176.35 176.00 1qn1 s THR 21 N 0.54 0.24 -0.04 5.49 2.01 -1.26 -4.68 115.64 117.94 1qn1 s THR 21 Ca 0.17 -1.13 -0.01 0.00 0.31 0.00 0.00 61.69 61.03 1qn1 s THR 21 Cb -0.13 -0.59 0.03 0.00 0.01 0.00 0.00 72.50 71.82 1qn1 s THR 21 CO 0.05 -0.57 0.09 -0.69 -0.69 0.00 0.00 174.62 172.80 1qn1 s VAL 22 N -1.92 -0.07 -0.09 3.82 1.01 -0.81 -4.73 120.40 117.60 1qn1 s VAL 22 Ca -0.10 0.23 -0.15 0.00 0.00 0.00 0.00 61.98 61.96 1qn1 s VAL 22 Cb -0.07 -0.16 -0.05 0.00 0.00 0.00 0.00 36.38 36.10 1qn1 s VAL 22 CO -0.02 0.10 0.38 -0.69 0.00 0.00 0.00 175.10 174.86 1qn1 s VAL 23 N 1.29 5.18 0.11 2.92 1.01 -1.26 -0.36 120.40 129.29 1qn1 s VAL 23 Ca -0.07 0.76 0.08 0.00 0.00 0.00 0.00 61.98 62.75 1qn1 s VAL 23 Cb -0.12 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1qn1 s VAL 23 CO -0.04 0.45 -0.14 0.12 0.00 0.00 0.00 175.10 175.49 1qn1 s PHE 24 N -0.11 2.64 -0.09 5.22 2.19 -0.94 -4.94 117.98 121.95 1qn1 s PHE 24 Ca 0.22 -0.21 -0.03 0.00 0.33 0.00 0.00 56.93 57.24 1qn1 s PHE 24 Cb -0.15 -1.38 0.05 0.00 -1.31 0.00 0.00 43.02 40.23 1qn1 s PHE 24 CO 0.09 0.41 0.12 -0.80 1.83 0.00 0.00 175.22 176.88 1qn1 s ASN 25 N -2.22 1.08 0.00 6.13 -0.87 -1.26 -2.76 114.94 115.04 1qn1 s ASN 25 Ca 0.20 0.12 0.13 0.00 -1.57 0.00 0.00 52.86 51.74 1qn1 s ASN 25 Cb -0.11 0.09 0.61 0.00 -0.02 0.00 0.00 41.25 41.83 1qn1 s ASN 25 CO 0.12 -0.26 1.35 1.41 -2.57 0.00 0.00 177.10 177.15 1qn1 n HIS 26 N 5.31 0.00 -0.76 2.20 8.25 -1.26 -2.33 115.22 126.63 1qn1 n HIS 26 Ca -0.04 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.22 1qn1 n HIS 26 Cb 0.50 -0.36 0.13 0.00 1.12 0.00 0.00 29.99 31.38 1qn1 n HIS 26 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1qn1 n SER 27 N -1.36 4.08 -1.40 0.41 3.41 -1.26 -3.88 113.62 113.62 1qn1 n SER 27 Ca 0.05 -3.26 -0.05 0.00 -0.26 0.00 0.00 58.87 55.35 1qn1 n SER 27 Cb 0.12 -0.80 -0.02 0.00 -0.26 0.00 0.00 64.21 63.25 1qn1 n SER 27 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1qn1 n THR 28 N -0.70 0.03 -2.21 6.66 -2.24 -0.98 -4.91 114.28 109.92 1qn1 n THR 28 Ca 0.46 -0.35 -0.03 0.00 -2.27 0.00 0.00 64.05 61.86 1qn1 n THR 28 Cb 1.29 0.66 0.02 0.00 -2.10 0.00 0.00 70.33 70.20 1qn1 n THR 28 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1qn1 n HIS 29 N -0.25 -0.69 0.05 4.78 8.25 -1.25 -4.96 115.22 121.15 1qn1 n HIS 29 Ca -0.22 -0.77 -0.16 0.00 -0.26 0.00 0.00 57.72 56.31 1qn1 n HIS 29 Cb 0.78 0.82 -0.14 0.00 1.12 0.00 0.00 29.99 32.57 1qn1 n HIS 29 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1qn1 h LYS 30 N 0.33 0.21 0.00 -0.41 5.09 -1.91 -3.22 116.57 116.65 1qn1 h LYS 30 Ca -0.38 -0.36 0.00 0.00 0.09 0.00 0.00 60.65 60.00 1qn1 h LYS 30 Cb 1.19 0.13 0.00 0.00 0.10 0.00 0.00 32.23 33.65 1qn1 h LYS 30 CO -0.18 1.04 0.00 -0.40 -2.09 0.00 0.00 179.45 177.82 1qn1 n ASP 31 N -3.40 0.00 0.00 7.07 5.75 -1.26 -3.93 116.55 120.78 1qn1 n ASP 31 Ca -0.17 -1.29 0.00 0.00 -0.01 0.00 0.00 54.79 53.32 1qn1 n ASP 31 Cb 1.04 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.13 1qn1 n ASP 31 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1qn1 n VAL 32 N -0.85 0.00 0.00 2.12 0.31 -1.22 -5.09 118.33 113.60 1qn1 n VAL 32 Ca 0.17 0.35 0.00 0.00 -0.01 0.00 0.00 64.34 64.84 1qn1 n VAL 32 Cb 0.08 -1.12 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 1qn1 n VAL 32 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1qn1 n LYS 33 N -1.71 0.00 -0.03 5.55 5.02 -1.25 -4.95 118.16 120.78 1qn1 n LYS 33 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 1qn1 n LYS 33 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 34.92 1qn1 n LYS 33 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qn1 n ASP 35 N -4.68 6.08 -0.05 0.00 5.75 -1.26 -3.53 116.55 118.86 1qn1 n ASP 35 Ca -0.07 -3.16 -0.04 0.00 -0.01 0.00 0.00 54.79 51.50 1qn1 n ASP 35 Cb 0.33 -0.98 -0.09 0.00 -1.03 0.00 0.00 41.12 39.35 1qn1 n ASP 35 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1qn1 n ASP 36 N -0.01 2.11 -0.07 -1.12 2.03 -1.13 -4.66 116.55 113.70 1qn1 n ASP 36 Ca 0.36 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.59 1qn1 n ASP 36 Cb 0.71 0.88 -0.08 0.00 -0.72 0.00 0.00 41.12 41.90 1qn1 n ASP 36 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1qn1 s HIS 38 N -2.29 3.73 -0.34 0.00 3.76 -1.23 -4.88 115.29 114.04 1qn1 s HIS 38 Ca -0.13 -2.02 0.03 0.00 -0.15 0.00 0.00 55.06 52.79 1qn1 s HIS 38 Cb 0.04 -3.78 0.48 0.00 1.11 0.00 0.00 32.58 30.44 1qn1 s HIS 38 CO 0.41 -0.98 1.69 -2.39 -0.85 0.00 0.00 174.74 172.61 1qn1 n HIS 39 N 3.98 2.25 -4.12 1.40 1.44 -1.26 -4.52 115.22 114.39 1qn1 n HIS 39 Ca 0.13 -1.53 -0.22 0.00 -2.01 0.00 0.00 57.72 54.08 1qn1 n HIS 39 Cb 0.46 -0.78 -0.06 0.00 0.12 0.00 0.00 29.99 29.74 1qn1 n HIS 39 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 1qn1 s GLN 40 N -2.42 2.58 0.28 -1.40 1.11 -1.26 -5.10 119.66 113.44 1qn1 s GLN 40 Ca 0.42 -1.31 -0.29 0.00 0.01 0.00 0.00 55.36 54.18 1qn1 s GLN 40 Cb 0.35 -2.34 -0.09 0.00 -1.01 0.00 0.00 33.01 29.92 1qn1 s GLN 40 CO 0.08 0.28 1.03 -1.25 0.01 0.00 0.00 175.29 175.43 1qn1 s PRO 41 N -3.82 4.68 0.49 2.91 0.04 -1.26 -4.33 135.00 133.72 1qn1 s PRO 41 Ca 0.35 1.65 0.45 0.00 0.04 0.00 0.00 61.00 63.48 1qn1 s PRO 41 Cb -0.06 -3.16 1.55 0.00 0.04 0.00 0.00 34.50 32.87 1qn1 s PRO 41 CO 0.23 0.30 1.40 0.41 0.04 0.00 0.00 177.00 179.38 1qn1 n GLY 42 N 1.21 -0.88 0.53 0.56 0.00 -1.26 0.19 105.19 105.53 1qn1 n GLY 42 Ca -0.01 0.63 0.34 0.00 0.00 0.00 0.00 46.02 46.98 1qn1 n GLY 42 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1qn1 h ASP 43 N 0.00 0.00 0.00 1.61 5.19 -2.05 -3.16 116.42 118.00 1qn1 h ASP 43 Ca 0.84 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 57.18 1qn1 h ASP 43 Cb 3.36 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 42.80 1qn1 h ASP 43 CO -0.03 0.00 -0.13 0.29 -3.12 0.00 0.00 179.24 176.24 1qn1 n LYS 44 N -3.95 0.40 0.30 3.56 5.02 0.51 -4.96 118.16 119.03 1qn1 n LYS 44 Ca 0.24 -0.54 0.17 0.00 -2.02 0.00 0.00 58.31 56.16 1qn1 n LYS 44 Cb 1.27 0.32 0.84 0.00 -0.02 0.00 0.00 35.03 37.44 1qn1 n LYS 44 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1qn1 h GLN 45 N 0.29 0.00 -0.45 1.97 4.15 0.41 1.06 115.11 122.55 1qn1 h GLN 45 Ca -0.24 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.08 1qn1 h GLN 45 Cb 1.06 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.69 1qn1 h GLN 45 CO -0.11 0.00 0.07 0.66 -1.93 0.00 0.00 178.83 177.53 1qn1 n TYR 46 N -3.06 1.52 -3.01 3.99 4.01 -1.26 -4.58 117.16 114.77 1qn1 n TYR 46 Ca -0.01 -1.12 -0.35 0.00 -0.16 0.00 0.00 57.90 56.26 1qn1 n TYR 46 Cb 0.39 -0.48 -0.06 0.00 -0.31 0.00 0.00 39.34 38.87 1qn1 n TYR 46 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1qn1 s ALA 47 N -2.97 3.32 0.67 -0.72 0.00 0.37 -5.00 121.76 117.42 1qn1 s ALA 47 Ca 0.48 0.24 -0.17 0.00 0.00 0.00 0.00 51.96 52.51 1qn1 s ALA 47 Cb 0.39 -2.92 -0.11 0.00 0.00 0.00 0.00 23.12 20.48 1qn1 s ALA 47 CO 0.09 0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.54 1qn1 n GLY 48 N 0.38 -2.83 0.12 0.00 0.00 -1.26 -4.90 105.19 96.69 1qn1 n GLY 48 Ca 0.00 -0.36 -0.17 0.00 0.00 0.00 0.00 46.02 45.50 1qn1 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qn1 h THR 50 N -0.31 0.00 0.00 0.00 1.35 -1.91 -1.89 112.91 110.15 1qn1 h THR 50 Ca -0.07 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 1qn1 h THR 50 Cb 1.25 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 1qn1 h THR 50 CO 0.10 0.00 0.00 0.41 -0.25 0.00 0.00 175.52 175.78 1qn1 n THR 51 N -3.18 0.00 -5.14 6.82 -1.04 -1.26 -3.19 114.28 107.30 1qn1 n THR 51 Ca -0.05 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.65 1qn1 n THR 51 Cb 0.16 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.52 1qn1 n THR 51 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1qn1 s ASP 52 N -2.75 3.30 -1.43 8.00 2.15 -1.26 -4.65 116.67 120.02 1qn1 s ASP 52 Ca 0.00 -0.43 -0.10 0.00 0.43 0.00 0.00 52.55 52.45 1qn1 s ASP 52 Cb 0.00 -0.45 0.05 0.00 -0.30 0.00 0.00 42.92 42.22 1qn1 s ASP 52 CO 0.00 0.31 1.01 0.61 -0.17 0.00 0.00 175.17 176.93 1qn1 n GLY 53 N 2.27 -0.48 0.00 2.66 0.00 -1.26 -4.91 105.19 103.48 1qn1 n GLY 53 Ca -0.16 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1qn1 n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qn1 n HIS 55 N 0.00 2.89 -0.06 0.00 8.25 -0.71 -4.34 115.22 121.24 1qn1 n HIS 55 Ca 0.00 -2.65 -0.21 0.00 -0.26 0.00 0.00 57.72 54.61 1qn1 n HIS 55 Cb 0.00 -1.14 -0.13 0.00 1.12 0.00 0.00 29.99 29.84 1qn1 n HIS 55 CO 0.00 0.00 0.00 -0.97 0.64 0.00 0.00 176.34 176.01 1qn1 h ASN 56 N 4.00 0.15 -0.63 0.41 -0.73 -1.52 -3.25 115.58 114.01 1qn1 h ASN 56 Ca 0.51 -0.72 -0.83 0.00 1.87 0.00 0.00 56.30 57.13 1qn1 h ASN 56 Cb 0.31 -0.05 -0.01 0.00 0.27 0.00 0.00 38.32 38.84 1qn1 h ASN 56 CO 1.18 1.49 0.94 -0.38 -0.37 0.00 0.00 177.43 180.29 1qn1 n ILE 57 N -4.22 0.01 -1.68 2.57 5.41 -0.81 -4.62 119.36 116.02 1qn1 n ILE 57 Ca -0.27 -0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.15 1qn1 n ILE 57 Cb 0.75 -0.52 0.05 0.00 -0.71 0.00 0.00 39.64 39.21 1qn1 n ILE 57 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1qn1 n LEU 58 N 5.41 6.84 -4.06 1.39 4.77 -1.26 -1.51 117.00 128.58 1qn1 n LEU 58 Ca 0.40 -4.56 -0.17 0.00 -0.03 0.00 0.00 56.01 51.65 1qn1 n LEU 58 Cb -0.05 -0.82 -0.13 0.00 -2.33 0.00 0.00 43.42 40.10 1qn1 n LEU 58 CO 0.89 1.72 -0.43 -0.62 -1.33 0.00 0.00 177.39 177.63 1qn1 s ASP 59 N -2.21 1.10 0.13 -1.43 2.15 -1.26 -4.99 116.67 110.15 1qn1 s ASP 59 Ca 0.58 -0.38 0.24 0.00 0.43 0.00 0.00 52.55 53.42 1qn1 s ASP 59 Cb 0.47 -0.05 0.36 0.00 -0.30 0.00 0.00 42.92 43.39 1qn1 s ASP 59 CO -0.09 -0.03 1.34 0.11 -0.17 0.00 0.00 175.17 176.33 1qn1 h LYS 60 N 5.12 0.00 0.00 4.34 6.56 -1.92 -3.38 116.57 127.29 1qn1 h LYS 60 Ca -0.34 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.25 1qn1 h LYS 60 Cb 1.19 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 1qn1 h LYS 60 CO 0.45 0.00 0.00 0.00 -2.06 0.00 0.00 179.45 177.84 1qn1 n ALA 61 N -1.84 -0.36 -1.51 3.86 0.00 -1.26 -4.58 120.51 114.83 1qn1 n ALA 61 Ca 0.03 0.00 -0.61 0.00 0.00 0.00 0.00 53.44 52.86 1qn1 n ALA 61 Cb 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.79 1qn1 n ALA 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1qn1 n ASP 62 N -1.58 1.31 -4.45 0.00 9.92 -1.26 -4.80 116.55 115.69 1qn1 n ASP 62 Ca 0.00 0.88 -0.44 0.00 -0.53 0.00 0.00 54.79 54.70 1qn1 n ASP 62 Cb 0.00 -0.97 -0.00 0.00 -0.64 0.00 0.00 41.12 39.51 1qn1 n ASP 62 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1qn1 s LYS 63 N 4.66 4.10 0.25 -1.24 1.02 -1.26 -4.86 119.74 122.42 1qn1 s LYS 63 Ca 1.11 -2.64 -0.10 0.00 0.02 0.00 0.00 55.97 54.35 1qn1 s LYS 63 Cb -1.36 -5.01 -0.01 0.00 -0.52 0.00 0.00 37.83 30.93 1qn1 s LYS 63 CO 0.69 -1.71 0.43 0.45 -0.92 0.00 0.00 175.35 174.30 1qn1 s SER 64 N 2.68 0.03 -0.30 2.83 0.15 -1.26 -5.03 113.70 112.80 1qn1 s SER 64 Ca 0.41 -1.05 0.01 0.00 0.70 0.00 0.00 55.95 56.03 1qn1 s SER 64 Cb -0.04 0.57 0.32 0.00 -1.71 0.00 0.00 66.02 65.16 1qn1 s SER 64 CO -0.01 -1.12 1.73 0.55 1.20 0.00 0.00 173.24 175.59 1qn1 n VAL 65 N -0.39 2.51 -0.09 4.45 3.14 -1.26 -3.60 118.33 123.09 1qn1 n VAL 65 Ca -0.01 -1.39 0.00 0.00 -2.96 0.00 0.00 64.34 59.98 1qn1 n VAL 65 Cb 0.62 -0.96 0.01 0.00 -1.06 0.00 0.00 33.84 32.44 1qn1 n VAL 65 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1qn1 n ASN 66 N -0.17 1.91 -4.50 6.55 5.03 -1.26 -4.72 115.26 118.10 1qn1 n ASN 66 Ca 0.34 -1.99 -0.39 0.00 0.87 0.00 0.00 54.58 53.41 1qn1 n ASN 66 Cb 0.91 -0.02 -0.11 0.00 -1.02 0.00 0.00 39.78 39.55 1qn1 n ASN 66 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1qn1 s SER 67 N -1.02 5.86 0.26 6.41 0.01 -1.24 -1.92 113.70 122.07 1qn1 s SER 67 Ca 0.01 -0.40 -0.01 0.00 1.31 0.00 0.00 55.95 56.86 1qn1 s SER 67 Cb 0.01 -2.08 0.55 0.00 0.21 0.00 0.00 66.02 64.70 1qn1 s SER 67 CO 0.00 -0.19 1.73 -0.25 0.41 0.00 0.00 173.24 174.94 1qn1 h TRP 68 N 8.42 0.64 -0.42 2.43 -0.00 -1.30 -0.33 115.95 125.39 1qn1 h TRP 68 Ca -0.32 0.04 -0.38 0.00 -0.00 0.00 0.00 58.89 58.23 1qn1 h TRP 68 Cb 1.16 -0.16 -0.10 0.00 -0.00 0.00 0.00 29.16 30.06 1qn1 h TRP 68 CO 0.67 0.08 0.47 0.98 -0.00 0.00 0.00 178.44 180.64 1qn1 n TYR 69 N -4.96 0.93 0.13 2.65 9.36 -1.26 -3.82 117.16 120.18 1qn1 n TYR 69 Ca 0.17 -1.89 0.00 0.00 3.32 0.00 0.00 57.90 59.50 1qn1 n TYR 69 Cb 0.48 -1.63 0.00 0.00 -0.63 0.00 0.00 39.34 37.55 1qn1 n TYR 69 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1qn1 n LYS 70 N 2.03 0.00 0.00 2.98 3.00 -0.14 -4.69 118.16 121.34 1qn1 n LYS 70 Ca 0.50 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.89 1qn1 n LYS 70 Cb 0.69 0.00 0.46 0.00 0.00 0.00 0.00 35.03 36.18 1qn1 n LYS 70 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1qn1 n VAL 71 N -3.34 0.37 -0.06 3.15 0.24 -1.23 0.21 118.33 117.66 1qn1 n VAL 71 Ca 0.00 0.09 -0.20 0.00 -2.04 0.00 0.00 64.34 62.19 1qn1 n VAL 71 Cb 0.00 -0.81 -0.13 0.00 -1.47 0.00 0.00 33.84 31.43 1qn1 n VAL 71 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1qn1 n VAL 72 N -1.21 1.64 -0.69 3.34 0.31 -1.25 -3.98 118.33 116.49 1qn1 n VAL 72 Ca 0.10 -0.59 0.08 0.00 -0.01 0.00 0.00 64.34 63.92 1qn1 n VAL 72 Cb 0.12 -1.62 0.23 0.00 -0.91 0.00 0.00 33.84 31.67 1qn1 n VAL 72 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1qn1 n HIS 73 N -3.45 0.85 -1.91 3.52 8.25 -0.96 -3.46 115.22 118.06 1qn1 n HIS 73 Ca -0.39 -0.73 -0.42 0.00 -0.26 0.00 0.00 57.72 55.93 1qn1 n HIS 73 Cb 1.00 -0.22 -0.01 0.00 1.12 0.00 0.00 29.99 31.88 1qn1 n HIS 73 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1qn1 n ASP 74 N -0.01 3.93 -0.70 0.41 8.00 0.57 -4.73 116.55 124.01 1qn1 n ASP 74 Ca 0.18 -2.83 0.53 0.00 0.71 0.00 0.00 54.79 53.38 1qn1 n ASP 74 Cb 0.74 -1.61 0.82 0.00 -0.02 0.00 0.00 41.12 41.05 1qn1 n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qn1 n ALA 75 N 7.50 1.88 -4.01 2.24 0.00 -1.26 -2.75 120.51 124.11 1qn1 n ALA 75 Ca 0.50 0.66 -0.31 0.00 0.00 0.00 0.00 53.44 54.30 1qn1 n ALA 75 Cb 0.42 -1.14 -0.15 0.00 0.00 0.00 0.00 19.45 18.58 1qn1 n ALA 75 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1qn1 s LYS 76 N -4.86 1.50 0.00 0.00 2.36 -1.26 -4.32 119.74 113.16 1qn1 s LYS 76 Ca -0.05 -1.79 0.00 0.00 -2.55 0.00 0.00 55.97 51.58 1qn1 s LYS 76 Cb 0.27 -3.12 0.00 0.00 -1.05 0.00 0.00 37.83 33.93 1qn1 s LYS 76 CO 0.89 -0.91 0.00 0.41 1.55 0.00 0.00 175.35 177.29 1qn1 n GLY 77 N 4.30 0.86 0.00 5.54 0.00 -1.11 -5.07 105.19 109.70 1qn1 n GLY 77 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1qn1 n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qn1 n GLY 78 N 5.00 -1.62 0.35 -0.02 0.00 -1.26 -4.95 105.19 102.69 1qn1 n GLY 78 Ca 0.00 0.65 -0.03 0.00 0.00 0.00 0.00 46.02 46.64 1qn1 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qn1 h ALA 79 N 0.00 1.18 -3.24 4.61 0.00 -2.05 -3.43 119.26 116.33 1qn1 h ALA 79 Ca 0.00 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 1qn1 h ALA 79 Cb 0.00 -0.38 -0.24 0.00 0.00 0.00 0.00 17.79 17.18 1qn1 h ALA 79 CO 0.00 0.59 -0.68 0.21 0.00 0.00 0.00 179.25 179.38 1qn1 s LYS 80 N -6.08 0.21 1.00 0.00 2.20 -1.26 -5.15 119.74 110.65 1qn1 s LYS 80 Ca -0.13 -0.32 -0.11 0.00 -0.36 0.00 0.00 55.97 55.05 1qn1 s LYS 80 Cb 0.17 0.08 0.19 0.00 -1.51 0.00 0.00 37.83 36.76 1qn1 s LYS 80 CO 0.81 -0.04 1.10 -1.25 -0.36 0.00 0.00 175.35 175.61 1qn1 s PRO 81 N -0.84 0.37 0.00 4.03 0.04 -1.26 -4.69 135.00 132.65 1qn1 s PRO 81 Ca -0.09 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.17 1qn1 s PRO 81 Cb -0.06 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.81 1qn1 s PRO 81 CO -0.00 -2.97 0.00 0.25 0.04 0.00 0.00 177.00 174.32 1qn1 n THR 82 N -4.43 0.00 0.00 1.26 -2.24 -1.26 -4.97 114.28 102.64 1qn1 n THR 82 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1qn1 n THR 82 Cb 0.53 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 1qn1 n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qn1 h ILE 84 N 0.00 0.09 0.00 0.00 2.04 -1.86 -3.12 117.51 114.67 1qn1 h ILE 84 Ca 0.00 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.73 1qn1 h ILE 84 Cb 0.07 1.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 1qn1 h ILE 84 CO 0.00 0.05 0.00 -1.54 0.00 0.00 0.00 178.15 176.66 1qn1 n SER 85 N -3.07 0.00 -0.34 1.72 3.41 -1.26 0.30 113.62 114.38 1qn1 n SER 85 Ca 0.03 0.40 0.11 0.00 -0.26 0.00 0.00 58.87 59.14 1qn1 n SER 85 Cb 0.56 -0.12 0.22 0.00 -0.26 0.00 0.00 64.21 64.61 1qn1 n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qn1 h HIS 87 N 0.01 -1.29 -0.54 0.00 -0.00 -1.62 0.49 115.15 112.19 1qn1 h HIS 87 Ca 0.54 0.00 0.14 0.00 -0.00 0.00 0.00 60.37 61.05 1qn1 h HIS 87 Cb 1.01 0.49 -0.03 0.00 -0.00 0.00 0.00 27.41 28.88 1qn1 h HIS 87 CO -0.59 -0.66 0.38 -0.22 -0.00 0.00 0.00 177.93 176.84 1qn1 h LYS 88 N -1.03 0.09 -0.40 2.45 3.64 0.34 1.48 116.57 123.14 1qn1 h LYS 88 Ca -0.08 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1qn1 h LYS 88 Cb 0.86 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1qn1 h LYS 88 CO 0.00 0.06 0.00 -3.47 -2.27 0.00 0.00 179.45 173.78 1qn1 n ASP 89 N -4.41 2.18 -3.07 4.20 -0.08 0.35 -3.23 116.55 112.50 1qn1 n ASP 89 Ca 0.10 -1.99 -0.16 0.00 -1.51 0.00 0.00 54.79 51.22 1qn1 n ASP 89 Cb 0.54 -0.27 -0.00 0.00 2.34 0.00 0.00 41.12 43.73 1qn1 n ASP 89 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1qn1 n LYS 90 N 0.69 0.94 0.00 -0.67 5.02 0.50 -4.88 118.16 119.76 1qn1 n LYS 90 Ca 0.14 -2.95 0.00 0.00 -2.02 0.00 0.00 58.31 53.48 1qn1 n LYS 90 Cb 0.35 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 1qn1 n LYS 90 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qn1 n ALA 91 N 0.52 0.00 0.00 7.82 0.00 -1.08 -4.78 120.51 122.99 1qn1 n ALA 91 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1qn1 n ALA 91 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 1qn1 n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qn1 n GLY 92 N 0.00 -1.79 1.09 0.00 0.00 -1.20 -4.41 105.19 98.89 1qn1 n GLY 92 Ca 0.00 -1.79 -0.02 0.00 0.00 0.00 0.00 46.02 44.21 1qn1 n GLY 92 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qn1 n ASP 93 N 0.01 2.68 0.22 1.61 5.75 -1.26 -4.42 116.55 121.15 1qn1 n ASP 93 Ca 0.00 -3.64 0.15 0.00 -0.01 0.00 0.00 54.79 51.29 1qn1 n ASP 93 Cb 0.00 -0.62 0.79 0.00 -1.03 0.00 0.00 41.12 40.27 1qn1 n ASP 93 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 1qn1 h ASP 94 N 1.09 0.00 0.00 -1.12 1.82 -1.96 -3.46 116.42 112.80 1qn1 h ASP 94 Ca 0.18 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.82 1qn1 h ASP 94 Cb 1.61 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.62 1qn1 h ASP 94 CO 0.35 0.00 0.00 1.17 -1.61 0.00 0.00 179.24 179.15 1qn1 n LYS 95 N -2.52 0.00 -0.19 0.28 3.00 -1.26 -4.56 118.16 112.91 1qn1 n LYS 95 Ca -0.02 0.00 0.18 0.00 -0.00 0.00 0.00 58.31 58.48 1qn1 n LYS 95 Cb 0.05 0.00 0.54 0.00 0.00 0.00 0.00 35.03 35.62 1qn1 n LYS 95 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1qn1 h GLU 96 N 0.00 0.34 0.00 1.64 4.57 -1.97 1.57 114.58 120.73 1qn1 h GLU 96 Ca 0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1qn1 h GLU 96 Cb 0.00 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 1qn1 h GLU 96 CO 0.00 0.22 -1.52 -0.11 -1.18 0.00 0.00 179.01 176.42 1qn1 n LEU 97 N -4.47 0.38 0.11 1.64 0.00 -1.26 -3.98 117.00 109.43 1qn1 n LEU 97 Ca 0.16 0.02 -0.19 0.00 0.00 0.00 0.00 56.01 56.00 1qn1 n LEU 97 Cb 0.64 -0.03 -0.13 0.00 0.00 0.00 0.00 43.42 43.90 1qn1 n LEU 97 CO 0.33 -0.01 -0.07 0.50 0.00 0.00 0.00 177.39 178.14 1qn1 h LYS 98 N 0.00 0.42 -0.74 1.96 1.63 -0.64 -3.26 116.57 115.94 1qn1 h LYS 98 Ca 0.00 -0.65 -0.01 0.00 -0.85 0.00 0.00 60.65 59.15 1qn1 h LYS 98 Cb 0.90 0.23 -0.04 0.00 -0.60 0.00 0.00 32.23 32.73 1qn1 h LYS 98 CO 0.00 1.29 0.44 0.87 -3.45 0.00 0.00 179.45 178.60 1qn1 h LYS 99 N 0.15 1.02 -3.60 1.90 6.56 0.19 1.30 116.57 124.08 1qn1 h LYS 99 Ca -0.17 -0.10 -0.76 0.00 -1.06 0.00 0.00 60.65 58.56 1qn1 h LYS 99 Cb 1.97 -0.21 -0.30 0.00 -0.57 0.00 0.00 32.23 33.12 1qn1 h LYS 99 CO 0.22 0.73 0.13 0.21 -2.06 0.00 0.00 179.45 178.69 1qn1 s LYS 100 N -5.94 3.63 0.00 3.15 2.20 -1.23 -2.97 119.74 118.59 1qn1 s LYS 100 Ca -0.13 -2.92 0.00 0.00 -0.36 0.00 0.00 55.97 52.57 1qn1 s LYS 100 Cb 0.15 -4.30 0.00 0.00 -1.51 0.00 0.00 37.83 32.17 1qn1 s LYS 100 CO 0.79 -1.25 0.00 1.28 -0.36 0.00 0.00 175.35 175.81 1qn1 n LEU 101 N 3.11 0.00 0.00 5.43 4.77 -1.24 -4.84 117.00 124.24 1qn1 n LEU 101 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1qn1 n LEU 101 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1qn1 n LEU 101 CO 0.39 0.00 -0.21 0.35 -1.33 0.00 0.00 177.39 176.59 1qn1 n THR 102 N 0.00 0.00 -0.84 -5.08 -2.24 -0.49 -4.77 114.28 100.86 1qn1 n THR 102 Ca 0.00 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.52 1qn1 n THR 102 Cb 0.00 -0.45 0.01 0.00 -2.10 0.00 0.00 70.33 67.78 1qn1 n THR 102 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qn1 n GLY 103 N 2.27 -2.10 0.00 3.38 0.00 0.43 -4.93 105.19 104.24 1qn1 n GLY 103 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1qn1 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qn1 s LYS 105 N -0.99 3.51 0.00 0.00 2.20 -1.26 -3.74 119.74 119.47 1qn1 s LYS 105 Ca 0.00 -1.60 0.00 0.00 -0.36 0.00 0.00 55.97 54.01 1qn1 s LYS 105 Cb 0.00 -4.82 0.00 0.00 -1.51 0.00 0.00 37.83 31.50 1qn1 s LYS 105 CO 0.00 -1.79 0.00 0.41 -0.36 0.00 0.00 175.35 173.61 1qn1 n GLY 106 N 5.51 0.89 3.52 5.54 0.00 -1.01 -4.81 105.19 114.83 1qn1 n GLY 106 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 1qn1 n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qn1 s SER 107 N -1.45 3.51 0.00 1.61 1.04 -0.88 -3.62 113.70 113.91 1qn1 s SER 107 Ca 0.00 -1.22 0.22 0.00 0.48 0.00 0.00 55.95 55.43 1qn1 s SER 107 Cb 0.00 -0.31 1.30 0.00 0.10 0.00 0.00 66.02 67.11 1qn1 s SER 107 CO 0.00 -0.27 1.70 0.00 0.98 0.00 0.00 173.24 175.65 1qn1 n ALA 108 N -0.76 2.30 -0.02 5.32 0.00 -1.26 -3.59 120.51 122.50 1qn1 n ALA 108 Ca -0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 53.44 53.23 1qn1 n ALA 108 Cb 0.64 -1.36 -0.01 0.00 0.00 0.00 0.00 19.45 18.72 1qn1 n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qn1 s HIS 110 N -1.81 3.33 0.10 0.00 4.02 -1.24 -4.63 115.29 115.07 1qn1 s HIS 110 Ca -0.09 -1.47 -0.13 0.00 1.02 0.00 0.00 55.06 54.39 1qn1 s HIS 110 Cb 0.01 -3.06 -0.06 0.00 -1.02 0.00 0.00 32.58 28.45 1qn1 s HIS 110 CO 0.14 -0.86 0.48 -1.25 1.02 0.00 0.00 174.74 174.27 1qn1 s PRO 111 N 1.45 3.91 0.00 8.40 0.04 -1.25 -2.07 135.00 145.49 1qn1 s PRO 111 Ca 0.03 0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.47 1qn1 s PRO 111 Cb -0.24 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1qn1 s PRO 111 CO 0.02 0.54 0.30 -1.13 0.04 0.00 0.00 177.00 176.78