#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 -3.81 6.55 2.03 -1.26 -4.76 116.55 115.30 1qn1 n ASP 2 Ca 0.00 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.18 1qn1 n ASP 2 Cb 0.00 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.27 1qn1 n ASP 2 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1qn1 s VAL 3 N 0.00 -0.01 0.15 5.18 0.11 -1.26 -5.13 120.40 119.45 1qn1 s VAL 3 Ca 0.00 0.03 -0.32 0.00 -2.93 0.00 0.00 61.98 58.76 1qn1 s VAL 3 Cb 0.00 -0.21 -0.12 0.00 -1.53 0.00 0.00 36.38 34.52 1qn1 s VAL 3 CO 0.00 0.01 1.75 -0.81 -3.33 0.00 0.00 175.10 172.72 1qn1 n PRO 4 N 3.19 2.66 0.00 1.54 -0.04 -1.26 -4.98 135.00 136.12 1qn1 n PRO 4 Ca -0.15 0.96 0.00 0.00 -0.04 0.00 0.00 63.50 64.28 1qn1 n PRO 4 Cb 0.58 -2.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 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 4.65 0.00 -2.29 0.55 0.00 -1.26 -4.48 120.51 117.68 1qn1 n ALA 5 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.39 1qn1 n ALA 5 Cb 0.35 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.75 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 -2.06 4.86 0.00 0.00 1.01 -1.26 -4.45 116.67 114.76 1qn1 s ASP 6 Ca 0.00 -0.84 0.00 0.00 0.71 0.00 0.00 52.55 52.42 1qn1 s ASP 6 Cb 0.00 -0.55 0.00 0.00 1.01 0.00 0.00 42.92 43.38 1qn1 s ASP 6 CO 0.00 -0.61 0.00 0.61 0.21 0.00 0.00 175.17 175.38 1qn1 n GLY 7 N -1.45 0.82 3.57 0.21 0.00 -1.17 -5.04 105.19 102.13 1qn1 n GLY 7 Ca 0.02 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.00 3.41 -0.17 4.61 0.00 -1.20 -4.90 121.76 121.51 1qn1 s ALA 8 Ca 0.00 -0.79 -0.24 0.00 0.00 0.00 0.00 51.96 50.93 1qn1 s ALA 8 Cb 0.00 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.77 1qn1 s ALA 8 CO 0.00 -1.54 0.76 -1.59 0.00 0.00 0.00 175.76 173.40 1qn1 s LYS 9 N 3.02 4.28 -0.35 0.00 0.00 -1.26 -0.81 119.74 124.63 1qn1 s LYS 9 Ca 0.29 0.89 -0.16 0.00 0.00 0.00 0.00 55.97 56.99 1qn1 s LYS 9 Cb -0.13 -3.57 -0.01 0.00 0.00 0.00 0.00 37.83 34.12 1qn1 s LYS 9 CO 0.17 -0.27 0.40 0.42 0.00 0.00 0.00 175.35 176.07 1qn1 s ILE 10 N 1.98 5.13 -0.47 3.79 1.01 0.36 -4.84 121.20 128.16 1qn1 s ILE 10 Ca 0.35 0.07 0.06 0.00 0.00 0.00 0.00 60.65 61.13 1qn1 s ILE 10 Cb -0.16 -3.87 0.23 0.00 0.01 0.00 0.00 42.46 38.67 1qn1 s ILE 10 CO 0.12 -0.15 0.78 -0.67 0.00 0.00 0.00 174.94 175.02 1qn1 n ASP 11 N 5.47 -2.32 0.04 3.58 -0.08 -1.26 -2.21 116.55 119.77 1qn1 n ASP 11 Ca -0.08 -3.10 0.13 0.00 -1.51 0.00 0.00 54.79 50.23 1qn1 n ASP 11 Cb 0.49 1.28 0.47 0.00 2.34 0.00 0.00 41.12 45.70 1qn1 n ASP 11 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1qn1 n PHE 12 N 1.83 0.40 -3.17 -0.67 3.72 -1.26 -4.81 117.46 113.50 1qn1 n PHE 12 Ca 0.13 0.12 -0.36 0.00 -0.05 0.00 0.00 57.45 57.29 1qn1 n PHE 12 Cb 0.60 -0.66 -0.06 0.00 -0.94 0.00 0.00 39.48 38.41 1qn1 n PHE 12 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1qn1 s ILE 13 N -3.05 4.65 -0.96 4.37 1.01 -1.26 -4.99 121.20 120.96 1qn1 s ILE 13 Ca 0.12 1.15 -0.00 0.00 0.00 0.00 0.00 60.65 61.91 1qn1 s ILE 13 Cb 0.16 -3.82 0.32 0.00 0.01 0.00 0.00 42.46 39.13 1qn1 s ILE 13 CO 0.58 0.20 1.64 0.00 0.00 0.00 0.00 174.94 177.36 1qn1 n ALA 14 N 0.71 5.73 -1.69 9.38 0.00 -1.26 -4.99 120.51 128.38 1qn1 n ALA 14 Ca -0.03 -4.65 -0.31 0.00 0.00 0.00 0.00 53.44 48.45 1qn1 n ALA 14 Cb 0.51 -1.97 0.04 0.00 0.00 0.00 0.00 19.45 18.03 1qn1 n ALA 14 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1qn1 s GLY 15 N -1.73 1.66 0.00 0.00 0.00 -1.26 -5.06 107.32 100.93 1qn1 s GLY 15 Ca 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 45.08 1qn1 s GLY 15 CO -0.10 0.27 0.00 0.61 0.00 0.00 0.00 173.10 173.89 1qn1 n GLY 16 N -2.33 -2.99 0.34 0.20 0.00 -1.26 -4.61 105.19 94.54 1qn1 n GLY 16 Ca 0.07 -0.98 0.15 0.00 0.00 0.00 0.00 46.02 45.26 1qn1 n GLY 16 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1qn1 h GLU 17 N 0.00 0.00 -3.56 1.61 4.81 -2.05 -3.17 114.58 112.22 1qn1 h GLU 17 Ca 0.00 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.86 1qn1 h GLU 17 Cb 0.00 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.40 1qn1 h GLU 17 CO 0.00 0.00 2.47 1.63 -0.73 0.00 0.00 179.01 182.38 1qn1 n LYS 18 N -2.98 1.89 -1.81 1.92 4.01 -1.26 -4.82 118.16 115.10 1qn1 n LYS 18 Ca -0.00 -1.42 -0.25 0.00 -0.51 0.00 0.00 58.31 56.13 1qn1 n LYS 18 Cb 0.47 -2.45 -0.05 0.00 -0.51 0.00 0.00 35.03 32.48 1qn1 n LYS 18 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 1qn1 s ASN 19 N 3.65 4.62 -0.62 4.39 3.84 -1.20 -4.82 114.94 124.81 1qn1 s ASN 19 Ca 0.38 -0.01 -0.21 0.00 0.21 0.00 0.00 52.86 53.23 1qn1 s ASN 19 Cb 0.10 -2.54 0.08 0.00 -0.55 0.00 0.00 41.25 38.34 1qn1 s ASN 19 CO -0.02 -3.10 0.84 -0.76 -2.79 0.00 0.00 177.10 171.27 1qn1 s LEU 20 N 11.87 4.82 -0.11 3.21 1.43 -1.26 -5.02 118.68 133.63 1qn1 s LEU 20 Ca 0.81 -1.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1qn1 s LEU 20 Cb -0.11 -2.39 -0.02 0.00 0.03 0.00 0.00 46.19 43.70 1qn1 s LEU 20 CO 0.09 -1.27 -0.10 -0.89 0.23 0.00 0.00 176.35 174.42 1qn1 s THR 21 N 3.41 3.37 -0.13 5.49 2.01 -1.26 -4.62 115.64 123.91 1qn1 s THR 21 Ca 0.18 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.61 1qn1 s THR 21 Cb -0.20 -2.40 -0.01 0.00 0.01 0.00 0.00 72.50 69.90 1qn1 s THR 21 CO 0.09 0.55 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.72 1qn1 s VAL 22 N -0.11 2.74 -0.08 3.82 1.01 -0.94 -4.73 120.40 122.11 1qn1 s VAL 22 Ca -0.00 -0.77 -0.21 0.00 0.00 0.00 0.00 61.98 61.00 1qn1 s VAL 22 Cb -0.13 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 1qn1 s VAL 22 CO 0.03 0.53 0.61 -0.69 0.00 0.00 0.00 175.10 175.58 1qn1 s VAL 23 N 0.49 5.08 0.11 2.92 1.01 -1.26 0.14 120.40 128.89 1qn1 s VAL 23 Ca -0.11 1.26 0.10 0.00 0.00 0.00 0.00 61.98 63.23 1qn1 s VAL 23 Cb -0.16 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1qn1 s VAL 23 CO 0.05 0.29 -0.26 0.12 0.00 0.00 0.00 175.10 175.30 1qn1 s PHE 24 N 0.64 2.34 -0.04 5.22 5.36 0.01 -4.95 117.98 126.56 1qn1 s PHE 24 Ca 0.33 -0.37 -0.01 0.00 -0.96 0.00 0.00 56.93 55.91 1qn1 s PHE 24 Cb -0.17 -1.29 0.03 0.00 -0.34 0.00 0.00 43.02 41.25 1qn1 s PHE 24 CO 0.15 0.30 0.08 -0.80 -1.46 0.00 0.00 175.22 173.49 1qn1 s ASN 25 N -1.90 0.34 0.14 6.13 -0.87 -1.26 -3.07 114.94 114.45 1qn1 s ASN 25 Ca 0.14 0.14 0.23 0.00 -1.57 0.00 0.00 52.86 51.80 1qn1 s ASN 25 Cb -0.10 0.01 0.89 0.00 -0.02 0.00 0.00 41.25 42.04 1qn1 s ASN 25 CO 0.06 -0.17 1.70 1.41 -2.57 0.00 0.00 177.10 177.52 1qn1 n HIS 26 N 4.57 0.48 -0.24 2.20 8.25 -1.26 -2.79 115.22 126.44 1qn1 n HIS 26 Ca -0.19 0.17 -0.13 0.00 -0.26 0.00 0.00 57.72 57.31 1qn1 n HIS 26 Cb 0.50 -0.77 0.10 0.00 1.12 0.00 0.00 29.99 30.94 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 -1.92 3.42 -1.14 0.41 3.41 -1.26 -3.62 113.62 112.92 1qn1 n SER 27 Ca 0.04 -2.89 -0.02 0.00 -0.26 0.00 0.00 58.87 55.74 1qn1 n SER 27 Cb 0.27 -0.69 -0.03 0.00 -0.26 0.00 0.00 64.21 63.51 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 -0.40 0.00 -2.09 6.66 -2.24 -1.12 -4.88 114.28 110.21 1qn1 n THR 28 Ca 0.33 -0.39 -0.04 0.00 -2.27 0.00 0.00 64.05 61.68 1qn1 n THR 28 Cb 1.15 0.66 -0.01 0.00 -2.10 0.00 0.00 70.33 70.03 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 0.20 -0.45 0.02 4.78 8.25 -1.24 -4.95 115.22 121.83 1qn1 n HIS 29 Ca -0.12 -0.65 -0.07 0.00 -0.26 0.00 0.00 57.72 56.62 1qn1 n HIS 29 Cb 0.86 0.69 -0.13 0.00 1.12 0.00 0.00 29.99 32.54 1qn1 n HIS 29 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1qn1 h LYS 30 N 0.21 0.00 -0.06 -0.41 1.57 -1.90 -3.21 116.57 112.78 1qn1 h LYS 30 Ca -0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1qn1 h LYS 30 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1qn1 h LYS 30 CO -0.20 0.70 0.00 -0.40 -0.57 0.00 0.00 179.45 178.98 1qn1 n ASP 31 N -3.17 0.51 -0.00 0.86 5.75 -1.26 -3.98 116.55 115.25 1qn1 n ASP 31 Ca -0.09 -1.63 -0.00 0.00 -0.01 0.00 0.00 54.79 53.06 1qn1 n ASP 31 Cb 0.99 -0.04 -0.00 0.00 -1.03 0.00 0.00 41.12 41.04 1qn1 n ASP 31 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 1qn1 h VAL 32 N 0.64 0.00 0.00 2.12 2.07 -1.94 -3.51 116.25 115.62 1qn1 h VAL 32 Ca 0.00 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1qn1 h VAL 32 Cb 0.14 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 1qn1 h VAL 32 CO 0.00 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.88 1qn1 n LYS 33 N -2.23 0.00 -0.90 1.57 5.02 -1.25 -4.98 118.16 115.39 1qn1 n LYS 33 Ca -0.00 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.11 1qn1 n LYS 33 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.07 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 0.09 -0.56 -0.03 0.00 5.75 -1.26 -4.87 116.55 115.67 1qn1 n ASP 35 Ca 0.34 -1.35 -0.03 0.00 -0.01 0.00 0.00 54.79 53.74 1qn1 n ASP 35 Cb 0.68 0.25 -0.04 0.00 -1.03 0.00 0.00 41.12 40.98 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 -0.50 3.73 -0.01 -1.12 2.03 -1.24 -4.66 116.55 114.79 1qn1 n ASP 36 Ca -0.08 -0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.28 1qn1 n ASP 36 Cb 0.61 0.62 -0.09 0.00 -0.72 0.00 0.00 41.12 41.54 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 -2.78 3.96 -0.45 0.00 3.76 -1.26 -4.87 115.29 113.64 1qn1 s HIS 38 Ca -0.04 -2.84 0.01 0.00 -0.15 0.00 0.00 55.06 52.04 1qn1 s HIS 38 Cb 0.07 -3.45 0.48 0.00 1.11 0.00 0.00 32.58 30.79 1qn1 s HIS 38 CO 0.48 -0.82 1.88 -2.39 -0.85 0.00 0.00 174.74 173.04 1qn1 n HIS 39 N 2.64 2.62 -3.17 1.40 -0.00 -1.26 -4.64 115.22 112.82 1qn1 n HIS 39 Ca 0.20 -2.08 -0.19 0.00 -0.00 0.00 0.00 57.72 55.65 1qn1 n HIS 39 Cb 0.38 -1.03 0.01 0.00 -0.00 0.00 0.00 29.99 29.35 1qn1 n HIS 39 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 1qn1 s GLN 40 N -2.94 2.95 1.06 -1.40 1.11 -1.26 -5.07 119.66 114.12 1qn1 s GLN 40 Ca 0.50 -1.00 -0.13 0.00 0.01 0.00 0.00 55.36 54.75 1qn1 s GLN 40 Cb 0.41 -2.73 0.19 0.00 -1.01 0.00 0.00 33.01 29.87 1qn1 s GLN 40 CO 0.05 -0.17 0.85 -2.30 0.01 0.00 0.00 175.29 173.73 1qn1 n PRO 41 N -1.84 -1.48 0.00 2.91 -0.02 -1.26 -4.37 135.00 128.94 1qn1 n PRO 41 Ca 0.04 -0.39 0.12 0.00 -2.02 0.00 0.00 63.50 61.24 1qn1 n PRO 41 Cb 0.58 -2.13 0.66 0.00 -0.02 0.00 0.00 33.50 32.59 1qn1 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qn1 n GLY 42 N 0.98 -0.89 0.04 -1.23 0.00 -1.26 0.19 105.19 103.02 1qn1 n GLY 42 Ca 0.06 -0.13 0.01 0.00 0.00 0.00 0.00 46.02 45.96 1qn1 n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qn1 n ASP 43 N -1.13 0.53 -0.24 1.61 8.00 -1.26 -4.58 116.55 119.48 1qn1 n ASP 43 Ca 0.15 -0.76 0.01 0.00 0.71 0.00 0.00 54.79 54.90 1qn1 n ASP 43 Cb 0.13 0.64 0.01 0.00 -0.02 0.00 0.00 41.12 41.88 1qn1 n ASP 43 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1qn1 n LYS 44 N -0.62 0.30 0.19 -1.24 4.76 -0.90 -4.82 118.16 115.82 1qn1 n LYS 44 Ca 0.01 -0.97 0.18 0.00 -2.87 0.00 0.00 58.31 54.66 1qn1 n LYS 44 Cb 0.05 -0.61 0.71 0.00 -1.84 0.00 0.00 35.03 33.34 1qn1 n LYS 44 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 1qn1 h GLN 45 N 0.00 0.00 -0.29 1.97 4.15 0.19 1.23 115.11 122.36 1qn1 h GLN 45 Ca 0.00 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.31 1qn1 h GLN 45 Cb 1.16 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.78 1qn1 h GLN 45 CO 0.00 0.00 -0.07 0.66 -1.93 0.00 0.00 178.83 177.49 1qn1 n TYR 46 N -3.26 0.93 -2.32 3.99 4.01 -1.26 -4.66 117.16 114.59 1qn1 n TYR 46 Ca 0.04 -1.36 -0.32 0.00 -0.16 0.00 0.00 57.90 56.10 1qn1 n TYR 46 Cb 0.61 -0.41 -0.03 0.00 -0.31 0.00 0.00 39.34 39.20 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 -3.11 3.02 0.56 -0.72 0.00 0.42 -4.97 121.76 116.96 1qn1 s ALA 47 Ca 0.43 0.20 -0.14 0.00 0.00 0.00 0.00 51.96 52.44 1qn1 s ALA 47 Cb 0.38 -3.13 -0.12 0.00 0.00 0.00 0.00 23.12 20.24 1qn1 s ALA 47 CO 0.02 -0.34 -0.30 0.41 0.00 0.00 0.00 175.76 175.55 1qn1 n GLY 48 N -1.56 -3.06 0.13 0.00 0.00 -1.26 -4.90 105.19 94.54 1qn1 n GLY 48 Ca 0.07 -0.33 -0.19 0.00 0.00 0.00 0.00 46.02 45.57 1qn1 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qn1 n THR 50 N -3.34 3.17 -1.54 0.00 -2.24 -1.25 -3.39 114.28 105.70 1qn1 n THR 50 Ca -0.34 -3.24 -0.29 0.00 -2.27 0.00 0.00 64.05 57.90 1qn1 n THR 50 Cb 1.04 -1.03 0.13 0.00 -2.10 0.00 0.00 70.33 68.36 1qn1 n THR 50 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1qn1 s THR 51 N -4.51 2.18 0.47 4.28 2.01 -1.26 -4.23 115.64 114.57 1qn1 s THR 51 Ca 0.58 0.06 -0.23 0.00 0.31 0.00 0.00 61.69 62.41 1qn1 s THR 51 Cb 0.47 -2.81 -0.09 0.00 0.01 0.00 0.00 72.50 70.08 1qn1 s THR 51 CO 0.01 -0.08 1.01 -0.67 -0.69 0.00 0.00 174.62 174.21 1qn1 n ASP 52 N -3.71 1.22 -3.01 3.53 2.03 -1.26 -1.51 116.55 113.84 1qn1 n ASP 52 Ca 0.07 0.98 -0.22 0.00 0.52 0.00 0.00 54.79 56.13 1qn1 n ASP 52 Cb 0.59 -1.37 0.02 0.00 -0.72 0.00 0.00 41.12 39.64 1qn1 n ASP 52 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qn1 n GLY 53 N 1.18 -0.52 0.00 0.27 0.00 -1.26 -4.90 105.19 99.97 1qn1 n GLY 53 Ca 0.10 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 3.85 -0.12 0.00 8.25 -1.22 -4.45 115.22 121.53 1qn1 n HIS 55 Ca 0.00 -3.41 -0.24 0.00 -0.26 0.00 0.00 57.72 53.80 1qn1 n HIS 55 Cb 0.00 -1.40 -0.09 0.00 1.12 0.00 0.00 29.99 29.62 1qn1 n HIS 55 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1qn1 n ASN 56 N 1.98 1.86 -4.17 0.41 2.85 -1.19 -3.86 115.26 113.14 1qn1 n ASN 56 Ca 0.25 0.21 -0.59 0.00 -0.11 0.00 0.00 54.58 54.33 1qn1 n ASN 56 Cb 0.36 -0.65 -0.10 0.00 1.24 0.00 0.00 39.78 40.63 1qn1 n ASN 56 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1qn1 n ILE 57 N -3.91 0.00 -1.66 -1.44 5.41 -1.10 -4.65 119.36 112.01 1qn1 n ILE 57 Ca -0.48 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 62.95 1qn1 n ILE 57 Cb 0.87 -0.46 0.05 0.00 -0.71 0.00 0.00 39.64 39.40 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 4.94 6.86 -4.18 1.39 4.77 -1.26 -1.84 117.00 127.68 1qn1 n LEU 58 Ca 0.37 -4.55 -0.13 0.00 -0.03 0.00 0.00 56.01 51.67 1qn1 n LEU 58 Cb -0.05 -0.82 -0.11 0.00 -2.33 0.00 0.00 43.42 40.12 1qn1 n LEU 58 CO 0.82 1.71 -0.41 -0.62 -1.33 0.00 0.00 177.39 177.56 1qn1 s ASP 59 N -2.22 1.39 -0.12 -1.43 -1.08 -1.26 -5.00 116.67 106.95 1qn1 s ASP 59 Ca 0.59 -0.87 0.16 0.00 -0.52 0.00 0.00 52.55 51.90 1qn1 s ASP 59 Cb 0.47 0.03 -0.23 0.00 -1.46 0.00 0.00 42.92 41.73 1qn1 s ASP 59 CO -0.08 -0.32 0.17 1.17 0.52 0.00 0.00 175.17 176.64 1qn1 n LYS 60 N 0.36 1.03 0.23 4.34 0.00 -1.26 -4.22 118.16 118.63 1qn1 n LYS 60 Ca -0.15 -0.06 0.15 0.00 0.00 0.00 0.00 58.31 58.25 1qn1 n LYS 60 Cb 0.59 -1.43 0.80 0.00 0.00 0.00 0.00 35.03 34.99 1qn1 n LYS 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1qn1 h ALA 61 N 1.11 1.02 -3.23 3.14 0.00 -1.99 -3.38 119.26 115.94 1qn1 h ALA 61 Ca -0.29 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 53.97 1qn1 h ALA 61 Cb 1.60 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 19.17 1qn1 h ALA 61 CO 0.02 -0.02 -0.68 -0.51 0.00 0.00 0.00 179.25 178.05 1qn1 s ASP 62 N -4.39 4.71 0.00 0.00 1.11 -1.26 -5.10 116.67 111.74 1qn1 s ASP 62 Ca -0.03 -0.18 0.00 0.00 0.18 0.00 0.00 52.55 52.51 1qn1 s ASP 62 Cb 0.08 -1.78 0.00 0.00 1.07 0.00 0.00 42.92 42.30 1qn1 s ASP 62 CO 0.27 0.13 0.00 1.17 1.18 0.00 0.00 175.17 177.91 1qn1 n LYS 63 N 3.82 3.25 0.00 8.23 4.81 -1.26 -4.83 118.16 132.18 1qn1 n LYS 63 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.27 1qn1 n LYS 63 Cb 0.52 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.57 1qn1 n LYS 63 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1qn1 n SER 64 N 0.00 0.00 -1.86 3.14 3.41 -1.26 -4.48 113.62 112.56 1qn1 n SER 64 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.43 1qn1 n SER 64 Cb 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.03 1qn1 n SER 64 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1qn1 n VAL 65 N -1.29 2.64 -0.75 -3.33 0.31 -1.26 -3.67 118.33 110.99 1qn1 n VAL 65 Ca 0.00 -1.54 0.04 0.00 -0.01 0.00 0.00 64.34 62.83 1qn1 n VAL 65 Cb 0.00 -0.97 0.05 0.00 -0.91 0.00 0.00 33.84 32.01 1qn1 n VAL 65 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1qn1 n ASN 66 N -0.24 1.66 -4.30 4.52 4.13 -1.26 -4.73 115.26 115.03 1qn1 n ASN 66 Ca 0.37 -2.28 -0.40 0.00 1.68 0.00 0.00 54.58 53.95 1qn1 n ASN 66 Cb 0.92 -0.18 -0.10 0.00 -1.54 0.00 0.00 39.78 38.88 1qn1 n ASN 66 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1qn1 s SER 67 N -1.57 5.65 0.55 6.41 0.01 -1.24 -2.70 113.70 120.80 1qn1 s SER 67 Ca 0.12 -1.31 0.44 0.00 1.31 0.00 0.00 55.95 56.50 1qn1 s SER 67 Cb 0.10 -1.99 1.65 0.00 0.21 0.00 0.00 66.02 65.99 1qn1 s SER 67 CO 0.01 -0.48 1.68 -0.25 0.41 0.00 0.00 173.24 174.61 1qn1 h TRP 68 N 8.41 0.02 -1.62 2.43 -0.00 -1.53 0.81 115.95 124.47 1qn1 h TRP 68 Ca -0.24 0.00 -0.66 0.00 -0.00 0.00 0.00 58.89 57.99 1qn1 h TRP 68 Cb 1.09 -0.01 -0.23 0.00 -0.00 0.00 0.00 29.16 30.01 1qn1 h TRP 68 CO 0.60 -0.01 0.83 0.98 -0.00 0.00 0.00 178.44 180.84 1qn1 n TYR 69 N -4.07 2.41 0.13 2.65 9.36 -1.26 -4.04 117.16 122.34 1qn1 n TYR 69 Ca 0.36 -2.19 0.00 0.00 3.32 0.00 0.00 57.90 59.39 1qn1 n TYR 69 Cb 1.65 -1.28 0.00 0.00 -0.63 0.00 0.00 39.34 39.08 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 0.09 0.00 0.00 2.98 3.00 0.28 -4.69 118.16 119.81 1qn1 n LYS 70 Ca 0.52 0.00 0.10 0.00 -0.00 0.00 0.00 58.31 58.93 1qn1 n LYS 70 Cb 0.36 0.00 0.58 0.00 0.00 0.00 0.00 35.03 35.97 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 -3.38 0.16 -0.08 3.15 0.24 -1.24 0.16 118.33 117.34 1qn1 n VAL 71 Ca 0.00 0.04 -0.20 0.00 -2.04 0.00 0.00 64.34 62.14 1qn1 n VAL 71 Cb 0.00 -0.71 -0.13 0.00 -1.47 0.00 0.00 33.84 31.54 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 -1.12 1.60 -0.61 3.34 0.31 -1.26 -4.10 118.33 116.51 1qn1 n VAL 72 Ca 0.13 -0.59 0.07 0.00 -0.01 0.00 0.00 64.34 63.94 1qn1 n VAL 72 Cb 0.11 -1.55 0.23 0.00 -0.91 0.00 0.00 33.84 31.71 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 -3.37 0.82 -1.47 3.52 8.25 -1.02 -3.70 115.22 118.25 1qn1 n HIS 73 Ca -0.41 -0.69 -0.40 0.00 -0.26 0.00 0.00 57.72 55.96 1qn1 n HIS 73 Cb 1.01 -0.19 -0.02 0.00 1.12 0.00 0.00 29.99 31.91 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 0.12 4.54 0.02 0.41 8.00 0.43 -4.65 116.55 125.42 1qn1 n ASP 74 Ca 0.18 -2.72 0.22 0.00 0.71 0.00 0.00 54.79 53.17 1qn1 n ASP 74 Cb 0.70 -1.49 0.73 0.00 -0.02 0.00 0.00 41.12 41.03 1qn1 n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qn1 h ALA 75 N 6.22 2.35 0.33 2.24 0.00 -1.87 0.25 119.26 128.77 1qn1 h ALA 75 Ca 0.59 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.47 1qn1 h ALA 75 Cb 0.55 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1qn1 h ALA 75 CO 1.86 -0.76 -0.23 -0.22 0.00 0.00 0.00 179.25 179.90 1qn1 h LYS 76 N 0.00 -0.53 0.00 0.00 3.64 -1.96 -3.37 116.57 114.35 1qn1 h LYS 76 Ca 0.26 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1qn1 h LYS 76 Cb 1.21 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1qn1 h LYS 76 CO -0.00 -0.35 0.00 0.41 -2.27 0.00 0.00 179.45 177.23 1qn1 n GLY 77 N -1.36 -0.48 0.00 5.01 0.00 0.08 -5.01 105.19 103.43 1qn1 n GLY 77 Ca -0.10 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.70 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 1.37 3.59 0.36 -0.02 0.00 -1.26 -4.94 105.19 104.29 1qn1 n GLY 78 Ca 0.00 -1.69 0.18 0.00 0.00 0.00 0.00 46.02 44.51 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 0.02 2.28 -3.42 4.61 0.00 -2.03 -3.40 119.26 117.32 1qn1 h ALA 79 Ca 0.00 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.62 1qn1 h ALA 79 Cb 0.00 0.03 -0.24 0.00 0.00 0.00 0.00 17.79 17.58 1qn1 h ALA 79 CO 0.00 -0.51 -0.74 0.21 0.00 0.00 0.00 179.25 178.21 1qn1 s LYS 80 N -4.91 0.45 0.80 0.00 2.20 -1.26 -5.14 119.74 111.87 1qn1 s LYS 80 Ca -0.05 -0.53 -0.14 0.00 -0.36 0.00 0.00 55.97 54.89 1qn1 s LYS 80 Cb 0.18 -0.28 0.02 0.00 -1.51 0.00 0.00 37.83 36.24 1qn1 s LYS 80 CO 0.67 0.06 0.80 -0.35 -0.36 0.00 0.00 175.35 176.17 1qn1 n PRO 81 N 2.03 0.18 0.00 4.03 -0.04 -1.26 -4.87 135.00 135.06 1qn1 n PRO 81 Ca -0.19 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1qn1 n PRO 81 Cb 0.56 -2.10 0.00 0.00 -0.04 0.00 0.00 33.50 31.92 1qn1 n PRO 81 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1qn1 n THR 82 N -2.95 0.00 0.00 0.52 -2.24 -1.26 -4.93 114.28 103.43 1qn1 n THR 82 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1qn1 n THR 82 Cb 0.51 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 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 1.71 0.00 0.00 2.04 -1.86 -3.15 117.51 116.25 1qn1 h ILE 84 Ca 0.00 -3.42 0.00 0.00 1.00 0.00 0.00 64.86 62.44 1qn1 h ILE 84 Cb 0.16 2.85 0.00 0.00 -0.74 0.00 0.00 36.82 39.09 1qn1 h ILE 84 CO 0.00 0.98 0.00 -1.54 0.00 0.00 0.00 178.15 177.59 1qn1 n SER 85 N -3.35 0.00 -0.34 1.72 3.41 -1.26 0.19 113.62 113.98 1qn1 n SER 85 Ca -0.00 0.44 -0.01 0.00 -0.26 0.00 0.00 58.87 59.04 1qn1 n SER 85 Cb 0.94 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.93 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 0.00 -1.54 -0.35 0.00 -0.00 -1.52 0.41 115.15 112.15 1qn1 h HIS 87 Ca 0.31 0.05 0.10 0.00 -0.00 0.00 0.00 60.37 60.83 1qn1 h HIS 87 Cb 0.53 0.67 -0.01 0.00 -0.00 0.00 0.00 27.41 28.59 1qn1 h HIS 87 CO -0.77 -0.58 0.29 -0.22 -0.00 0.00 0.00 177.93 176.65 1qn1 h LYS 88 N -0.69 0.00 -0.44 2.45 3.11 0.68 1.47 116.57 123.14 1qn1 h LYS 88 Ca 0.01 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 1qn1 h LYS 88 Cb 0.73 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.96 1qn1 h LYS 88 CO -0.34 0.00 0.00 -3.47 -2.81 0.00 0.00 179.45 172.83 1qn1 n ASP 89 N -4.16 2.33 -3.23 4.20 -0.08 0.27 -4.29 116.55 111.60 1qn1 n ASP 89 Ca 0.06 -2.01 -0.25 0.00 -1.51 0.00 0.00 54.79 51.08 1qn1 n ASP 89 Cb 0.46 -0.30 -0.07 0.00 2.34 0.00 0.00 41.12 43.56 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 0.75 1.00 0.04 -0.67 4.76 0.50 -4.84 118.16 119.70 1qn1 n LYS 90 Ca 0.14 -3.46 0.00 0.00 -2.87 0.00 0.00 58.31 52.13 1qn1 n LYS 90 Cb 0.37 -1.39 0.00 0.00 -1.84 0.00 0.00 35.03 32.17 1qn1 n LYS 90 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1qn1 n ALA 91 N 1.34 0.00 0.00 7.82 0.00 -1.24 -4.85 120.51 123.59 1qn1 n ALA 91 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1qn1 n ALA 91 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 -1.20 -0.84 0.24 0.00 0.00 -1.26 -4.11 105.19 98.03 1qn1 n GLY 92 Ca 0.00 -1.67 0.14 0.00 0.00 0.00 0.00 46.02 44.49 1qn1 n GLY 92 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1qn1 h ASP 93 N 1.53 0.00 -0.20 1.61 2.03 -2.02 -3.40 116.42 115.96 1qn1 h ASP 93 Ca 0.00 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.21 1qn1 h ASP 93 Cb 0.00 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.49 1qn1 h ASP 93 CO 0.00 0.05 0.30 -1.81 -1.03 0.00 0.00 179.24 176.75 1qn1 s ASP 94 N -5.97 3.80 0.62 4.15 1.11 -1.26 -4.66 116.67 114.46 1qn1 s ASP 94 Ca 0.03 -1.12 0.25 0.00 0.18 0.00 0.00 52.55 51.89 1qn1 s ASP 94 Cb 0.08 -2.59 1.16 0.00 1.07 0.00 0.00 42.92 42.63 1qn1 s ASP 94 CO 0.61 -4.37 1.62 0.07 1.18 0.00 0.00 175.17 174.28 1qn1 h LYS 95 N 11.20 0.00 -0.63 8.23 2.10 -1.91 0.91 116.57 136.47 1qn1 h LYS 95 Ca 0.06 0.00 0.11 0.00 -2.00 0.00 0.00 60.65 58.82 1qn1 h LYS 95 Cb 0.98 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.27 1qn1 h LYS 95 CO 1.06 0.00 0.42 1.49 -2.00 0.00 0.00 179.45 180.43 1qn1 h GLU 96 N 0.00 0.37 -0.25 0.07 4.57 -1.95 0.82 114.58 118.22 1qn1 h GLU 96 Ca 0.22 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.38 1qn1 h GLU 96 Cb 1.66 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 30.17 1qn1 h GLU 96 CO -0.00 0.25 0.00 -0.11 -1.18 0.00 0.00 179.01 177.96 1qn1 n LEU 97 N -4.47 2.58 -0.09 1.64 0.00 0.31 -3.97 117.00 113.00 1qn1 n LEU 97 Ca 0.11 -1.07 -0.18 0.00 0.00 0.00 0.00 56.01 54.87 1qn1 n LEU 97 Cb 0.42 -0.16 -0.13 0.00 0.00 0.00 0.00 43.42 43.56 1qn1 n LEU 97 CO 0.34 0.53 -1.18 0.29 0.00 0.00 0.00 177.39 177.37 1qn1 n LYS 98 N 0.93 0.68 -0.10 1.96 4.76 0.26 -4.22 118.16 122.43 1qn1 n LYS 98 Ca 0.17 0.17 0.09 0.00 -2.87 0.00 0.00 58.31 55.87 1qn1 n LYS 98 Cb 0.48 -1.57 0.45 0.00 -1.84 0.00 0.00 35.03 32.54 1qn1 n LYS 98 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1qn1 h LYS 99 N 0.02 0.51 -3.42 1.97 1.57 -1.01 -2.42 116.57 113.78 1qn1 h LYS 99 Ca -0.53 -0.03 -0.69 0.00 -1.87 0.00 0.00 60.65 57.53 1qn1 h LYS 99 Cb 1.97 -0.12 -0.36 0.00 0.08 0.00 0.00 32.23 33.80 1qn1 h LYS 99 CO -0.03 0.34 -0.32 0.21 -0.57 0.00 0.00 179.45 179.08 1qn1 s LYS 100 N -5.49 2.74 0.00 3.15 2.20 -1.26 -3.37 119.74 117.72 1qn1 s LYS 100 Ca -0.08 -2.86 0.00 0.00 -0.36 0.00 0.00 55.97 52.66 1qn1 s LYS 100 Cb 0.19 -3.74 0.00 0.00 -1.51 0.00 0.00 37.83 32.77 1qn1 s LYS 100 CO 0.75 -1.21 0.00 1.28 -0.36 0.00 0.00 175.35 175.81 1qn1 n LEU 101 N 2.93 0.00 0.00 5.43 4.77 -1.22 -4.87 117.00 124.05 1qn1 n LEU 101 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1qn1 n LEU 101 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1qn1 n LEU 101 CO 0.34 0.00 -0.11 0.35 -1.33 0.00 0.00 177.39 176.64 1qn1 n THR 102 N 0.00 0.00 -1.00 -5.08 -2.24 -0.94 -4.75 114.28 100.27 1qn1 n THR 102 Ca 0.00 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 1qn1 n THR 102 Cb 0.00 -0.53 0.04 0.00 -2.10 0.00 0.00 70.33 67.74 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 1.87 -4.27 0.10 3.38 0.00 -1.03 -4.98 105.19 100.26 1qn1 n GLY 103 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.39 2.98 0.00 0.00 2.20 -1.24 -2.36 119.74 120.92 1qn1 s LYS 105 Ca 0.00 -0.33 0.00 0.00 -0.36 0.00 0.00 55.97 55.28 1qn1 s LYS 105 Cb 0.00 -4.85 0.00 0.00 -1.51 0.00 0.00 37.83 31.47 1qn1 s LYS 105 CO 0.00 -2.69 0.00 0.41 -0.36 0.00 0.00 175.35 172.71 1qn1 n GLY 106 N 6.36 1.88 3.22 5.54 0.00 -1.25 -4.98 105.19 115.96 1qn1 n GLY 106 Ca 0.27 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.16 1qn1 n GLY 106 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qn1 s SER 107 N -2.00 1.60 0.59 1.61 0.15 -1.00 -4.48 113.70 110.18 1qn1 s SER 107 Ca 0.00 -0.96 0.31 0.00 0.70 0.00 0.00 55.95 56.00 1qn1 s SER 107 Cb 0.00 0.01 1.27 0.00 -1.71 0.00 0.00 66.02 65.59 1qn1 s SER 107 CO 0.00 -0.34 1.58 0.00 1.20 0.00 0.00 173.24 175.69 1qn1 h ALA 108 N 3.01 2.83 -3.81 5.45 0.00 -1.85 -3.34 119.26 121.56 1qn1 h ALA 108 Ca -0.37 -0.03 -0.69 0.00 0.00 0.00 0.00 54.91 53.82 1qn1 h ALA 108 Cb 1.19 0.07 -0.20 0.00 0.00 0.00 0.00 17.79 18.84 1qn1 h ALA 108 CO 0.61 -1.46 -0.73 0.00 0.00 0.00 0.00 179.25 177.67 1qn1 n HIS 110 N 2.12 -2.55 -3.12 0.00 -0.00 -1.26 -4.50 115.22 105.92 1qn1 n HIS 110 Ca -0.17 0.91 -0.39 0.00 -0.00 0.00 0.00 57.72 58.07 1qn1 n HIS 110 Cb 0.53 -3.82 -0.06 0.00 -0.00 0.00 0.00 29.99 26.63 1qn1 n HIS 110 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 1qn1 s PRO 111 N -4.13 4.38 0.00 -0.41 0.04 -1.25 -3.73 135.00 129.90 1qn1 s PRO 111 Ca 0.20 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1qn1 s PRO 111 Cb -0.05 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1qn1 s PRO 111 CO 0.79 0.58 0.00 0.43 0.04 0.00 0.00 177.00 178.83