#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 -5.54 -3.98 6.55 8.00 -1.26 -4.86 116.55 115.46 1qn1 n ASP 2 Ca 0.00 0.16 -0.37 0.00 0.71 0.00 0.00 54.79 55.29 1qn1 n ASP 2 Cb 0.00 -0.73 -0.04 0.00 -0.02 0.00 0.00 41.12 40.32 1qn1 n ASP 2 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1qn1 n VAL 3 N -2.67 3.61 -2.28 2.53 0.31 -1.26 -5.02 118.33 113.55 1qn1 n VAL 3 Ca -0.02 -5.36 -0.41 0.00 -0.01 0.00 0.00 64.34 58.54 1qn1 n VAL 3 Cb 0.59 -2.28 -0.03 0.00 -0.91 0.00 0.00 33.84 31.22 1qn1 n VAL 3 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1qn1 s PRO 4 N -1.92 3.20 0.00 5.55 0.04 -1.26 -4.83 135.00 135.77 1qn1 s PRO 4 Ca 0.31 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.96 1qn1 s PRO 4 Cb -0.00 -4.18 0.00 0.00 0.04 0.00 0.00 34.50 30.36 1qn1 s PRO 4 CO -0.05 -2.05 0.00 0.00 0.04 0.00 0.00 177.00 174.94 1qn1 n ALA 5 N 10.18 0.00 -3.83 8.56 0.00 -1.26 -5.19 120.51 128.97 1qn1 n ALA 5 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.54 1qn1 n ALA 5 Cb 0.49 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.95 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 0.00 -0.07 -1.46 0.00 1.11 -1.26 -4.69 116.67 110.30 1qn1 s ASP 6 Ca 0.00 -0.71 -0.02 0.00 0.18 0.00 0.00 52.55 52.00 1qn1 s ASP 6 Cb 0.00 0.60 0.00 0.00 1.07 0.00 0.00 42.92 44.59 1qn1 s ASP 6 CO 0.00 -1.17 0.33 0.61 1.18 0.00 0.00 175.17 176.12 1qn1 n GLY 7 N -0.57 -0.39 3.35 0.21 0.00 -1.25 -4.86 105.19 101.68 1qn1 n GLY 7 Ca -0.05 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 1qn1 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qn1 n ALA 8 N -2.79 3.20 -1.61 4.61 0.00 -1.25 -4.90 120.51 117.77 1qn1 n ALA 8 Ca -0.15 -3.46 -0.44 0.00 0.00 0.00 0.00 53.44 49.39 1qn1 n ALA 8 Cb 0.63 -3.56 -0.04 0.00 0.00 0.00 0.00 19.45 16.48 1qn1 n ALA 8 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1qn1 n LYS 9 N 7.72 2.15 -3.13 0.00 0.00 -1.26 -3.53 118.16 120.10 1qn1 n LYS 9 Ca 0.48 0.69 -0.43 0.00 0.00 0.00 0.00 58.31 59.05 1qn1 n LYS 9 Cb 0.44 -3.00 -0.06 0.00 0.00 0.00 0.00 35.03 32.41 1qn1 n LYS 9 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1qn1 s ILE 10 N 6.52 4.84 -0.45 3.15 1.01 0.40 -4.91 121.20 131.77 1qn1 s ILE 10 Ca 0.97 -0.33 0.07 0.00 0.00 0.00 0.00 60.65 61.36 1qn1 s ILE 10 Cb -0.48 -4.29 0.24 0.00 0.01 0.00 0.00 42.46 37.94 1qn1 s ILE 10 CO 0.41 -0.77 0.70 -0.67 0.00 0.00 0.00 174.94 174.61 1qn1 n ASP 11 N 6.25 -1.59 0.00 3.58 -0.08 -1.26 -3.23 116.55 120.22 1qn1 n ASP 11 Ca -0.05 -2.99 0.13 0.00 -1.51 0.00 0.00 54.79 50.37 1qn1 n ASP 11 Cb 0.46 0.72 0.36 0.00 2.34 0.00 0.00 41.12 45.01 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 1.70 0.02 -2.63 -0.67 3.72 -1.26 -4.79 117.46 113.54 1qn1 n PHE 12 Ca 0.15 0.01 -0.43 0.00 -0.05 0.00 0.00 57.45 57.13 1qn1 n PHE 12 Cb 0.58 -0.34 -0.02 0.00 -0.94 0.00 0.00 39.48 38.76 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 -3.00 4.54 -0.85 4.37 1.09 -1.26 -4.90 121.20 121.19 1qn1 s ILE 13 Ca 0.12 1.81 -0.08 0.00 -1.10 0.00 0.00 60.65 61.40 1qn1 s ILE 13 Cb 0.18 -4.37 -0.06 0.00 -1.06 0.00 0.00 42.46 37.14 1qn1 s ILE 13 CO 0.65 -0.39 2.03 0.00 -0.10 0.00 0.00 174.94 177.13 1qn1 n ALA 14 N 6.73 4.33 0.07 9.38 0.00 -1.26 -4.05 120.51 135.71 1qn1 n ALA 14 Ca 0.12 -2.09 0.05 0.00 0.00 0.00 0.00 53.44 51.52 1qn1 n ALA 14 Cb 0.47 -3.07 0.10 0.00 0.00 0.00 0.00 19.45 16.95 1qn1 n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qn1 n GLY 15 N 3.89 1.47 6.21 0.00 0.00 -1.26 -5.04 105.19 110.46 1qn1 n GLY 15 Ca 0.43 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1qn1 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qn1 n GLY 16 N 0.46 1.73 3.92 -0.02 0.00 -1.26 -4.18 105.19 105.85 1qn1 n GLY 16 Ca 0.08 0.45 -0.26 0.00 0.00 0.00 0.00 46.02 46.30 1qn1 n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qn1 s GLU 17 N 0.00 3.36 0.00 1.61 2.12 -1.26 -4.03 118.70 120.50 1qn1 s GLU 17 Ca 0.00 -0.06 0.00 0.00 0.36 0.00 0.00 54.97 55.27 1qn1 s GLU 17 Cb 0.00 -2.45 0.00 0.00 0.26 0.00 0.00 34.13 31.94 1qn1 s GLU 17 CO 0.00 -0.22 0.00 1.17 -0.54 0.00 0.00 175.26 175.67 1qn1 n LYS 18 N -2.18 0.00 -0.01 4.30 4.81 -1.26 -5.00 118.16 118.82 1qn1 n LYS 18 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1qn1 n LYS 18 Cb 0.56 -0.86 0.00 0.00 0.02 0.00 0.00 35.03 34.75 1qn1 n LYS 18 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1qn1 n ASN 19 N 0.00 0.00 -3.77 3.14 6.94 -1.26 -5.12 115.26 115.19 1qn1 n ASN 19 Ca 0.00 -0.02 -0.13 0.00 -0.02 0.00 0.00 54.58 54.42 1qn1 n ASN 19 Cb 0.00 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.29 1qn1 n ASN 19 CO 0.00 0.00 0.00 -1.48 -1.03 0.00 0.00 177.26 174.75 1qn1 s LEU 20 N 0.00 0.91 0.20 -4.53 0.05 -1.26 -5.12 118.68 108.92 1qn1 s LEU 20 Ca 0.00 0.39 0.00 0.00 0.05 0.00 0.00 54.13 54.58 1qn1 s LEU 20 Cb 0.00 0.59 -0.04 0.00 -2.05 0.00 0.00 46.19 44.69 1qn1 s LEU 20 CO 0.00 -0.11 0.38 -0.89 -0.55 0.00 0.00 176.35 175.17 1qn1 s THR 21 N 0.69 5.23 -0.07 5.48 2.01 -1.26 -4.93 115.64 122.79 1qn1 s THR 21 Ca -0.05 -0.47 0.00 0.00 0.31 0.00 0.00 61.69 61.49 1qn1 s THR 21 Cb -0.06 -3.75 0.02 0.00 0.01 0.00 0.00 72.50 68.72 1qn1 s THR 21 CO -0.04 -0.19 -0.05 -0.69 -0.69 0.00 0.00 174.62 172.97 1qn1 s VAL 22 N -1.87 0.68 -0.14 3.82 1.01 -1.20 -4.36 120.40 118.33 1qn1 s VAL 22 Ca 0.37 -0.14 -0.14 0.00 0.00 0.00 0.00 61.98 62.07 1qn1 s VAL 22 Cb -0.11 -0.72 -0.05 0.00 0.00 0.00 0.00 36.38 35.51 1qn1 s VAL 22 CO 0.29 0.28 0.32 -0.69 0.00 0.00 0.00 175.10 175.30 1qn1 s VAL 23 N 1.32 5.28 0.09 2.92 1.01 -1.26 -0.45 120.40 129.30 1qn1 s VAL 23 Ca -0.04 0.61 0.06 0.00 0.00 0.00 0.00 61.98 62.61 1qn1 s VAL 23 Cb -0.14 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1qn1 s VAL 23 CO -0.02 0.41 -0.07 0.12 0.00 0.00 0.00 175.10 175.53 1qn1 s PHE 24 N 0.31 2.83 -0.05 5.22 2.19 -1.23 -4.99 117.98 122.25 1qn1 s PHE 24 Ca 0.18 -0.11 -0.02 0.00 0.33 0.00 0.00 56.93 57.31 1qn1 s PHE 24 Cb -0.13 -1.48 0.04 0.00 -1.31 0.00 0.00 43.02 40.13 1qn1 s PHE 24 CO 0.05 0.44 0.09 -0.80 1.83 0.00 0.00 175.22 176.83 1qn1 s ASN 25 N -2.18 0.77 0.00 6.13 -0.87 -1.26 -3.85 114.94 113.68 1qn1 s ASN 25 Ca 0.22 0.17 0.14 0.00 -1.57 0.00 0.00 52.86 51.82 1qn1 s ASN 25 Cb -0.11 0.02 0.64 0.00 -0.02 0.00 0.00 41.25 41.77 1qn1 s ASN 25 CO 0.15 -0.22 1.41 1.41 -2.57 0.00 0.00 177.10 177.27 1qn1 n HIS 26 N 5.06 0.00 -0.45 2.20 8.25 -1.26 -2.27 115.22 126.75 1qn1 n HIS 26 Ca -0.09 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.26 1qn1 n HIS 26 Cb 0.50 -0.41 0.16 0.00 1.12 0.00 0.00 29.99 31.37 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 -1.41 3.70 -1.14 0.41 3.41 -1.26 -3.76 113.62 113.58 1qn1 n SER 27 Ca 0.05 -2.97 -0.03 0.00 -0.26 0.00 0.00 58.87 55.66 1qn1 n SER 27 Cb 0.14 -0.70 -0.03 0.00 -0.26 0.00 0.00 64.21 63.35 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 -0.34 0.00 -2.11 6.66 -2.24 -0.96 -4.88 114.28 110.41 1qn1 n THR 28 Ca 0.35 -0.35 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 1qn1 n THR 28 Cb 1.19 0.65 -0.01 0.00 -2.10 0.00 0.00 70.33 70.07 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 0.17 -0.48 0.08 4.78 8.25 -1.25 -4.95 115.22 121.83 1qn1 n HIS 29 Ca -0.14 -0.66 -0.01 0.00 -0.26 0.00 0.00 57.72 56.65 1qn1 n HIS 29 Cb 0.85 0.71 -0.04 0.00 1.12 0.00 0.00 29.99 32.62 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 0.23 0.00 -0.04 -0.41 2.10 -1.90 -3.11 116.57 113.44 1qn1 h LYS 30 Ca -0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 1qn1 h LYS 30 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1qn1 h LYS 30 CO -0.19 0.55 0.00 -0.40 -2.00 0.00 0.00 179.45 177.40 1qn1 n ASP 31 N -3.15 0.34 -4.65 7.07 5.75 -1.26 -4.74 116.55 115.91 1qn1 n ASP 31 Ca -0.03 -1.61 -0.35 0.00 -0.01 0.00 0.00 54.79 52.80 1qn1 n ASP 31 Cb 0.82 -0.03 -0.10 0.00 -1.03 0.00 0.00 41.12 40.79 1qn1 n ASP 31 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1qn1 s VAL 32 N -1.95 4.49 -0.50 2.12 1.01 -1.18 -5.01 120.40 119.40 1qn1 s VAL 32 Ca 0.23 -0.16 -0.45 0.00 0.00 0.00 0.00 61.98 61.60 1qn1 s VAL 32 Cb 0.11 -2.96 -0.19 0.00 0.00 0.00 0.00 36.38 33.34 1qn1 s VAL 32 CO 0.18 0.54 1.92 0.29 0.00 0.00 0.00 175.10 178.02 1qn1 n LYS 33 N 2.88 0.01 0.09 2.72 4.01 -1.26 -4.68 118.16 121.92 1qn1 n LYS 33 Ca -0.18 0.00 0.21 0.00 -0.51 0.00 0.00 58.31 57.83 1qn1 n LYS 33 Cb 0.53 -1.51 0.72 0.00 -0.51 0.00 0.00 35.03 34.26 1qn1 n LYS 33 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1qn1 n ASP 35 N -3.59 5.48 -0.07 0.00 5.75 -1.26 -3.74 116.55 119.10 1qn1 n ASP 35 Ca 0.08 -3.71 -0.08 0.00 -0.01 0.00 0.00 54.79 51.07 1qn1 n ASP 35 Cb 0.68 -0.87 -0.11 0.00 -1.03 0.00 0.00 41.12 39.79 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 -1.03 1.46 -0.08 -1.12 -0.08 0.48 -4.61 116.55 111.57 1qn1 n ASP 36 Ca 0.59 -0.01 -0.09 0.00 -1.51 0.00 0.00 54.79 53.77 1qn1 n ASP 36 Cb 1.15 0.77 -0.10 0.00 2.34 0.00 0.00 41.12 45.28 1qn1 n ASP 36 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1qn1 s HIS 38 N -2.36 3.37 -0.31 0.00 3.76 -1.25 -4.89 115.29 113.62 1qn1 s HIS 38 Ca -0.14 -1.61 0.08 0.00 -0.15 0.00 0.00 55.06 53.24 1qn1 s HIS 38 Cb 0.05 -3.68 0.53 0.00 1.11 0.00 0.00 32.58 30.59 1qn1 s HIS 38 CO 0.53 -1.00 1.52 -2.39 -0.85 0.00 0.00 174.74 172.55 1qn1 n HIS 39 N 4.94 1.33 -3.27 1.40 -0.00 -1.26 -4.44 115.22 113.92 1qn1 n HIS 39 Ca -0.08 -1.62 -0.20 0.00 -0.00 0.00 0.00 57.72 55.81 1qn1 n HIS 39 Cb 0.41 -0.55 0.00 0.00 -0.00 0.00 0.00 29.99 29.86 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 -3.25 3.07 0.51 -1.40 1.11 -1.24 -5.10 119.66 113.37 1qn1 s GLN 40 Ca 0.46 -0.84 -0.18 0.00 0.01 0.00 0.00 55.36 54.80 1qn1 s GLN 40 Cb 0.42 -2.72 -0.07 0.00 -1.01 0.00 0.00 33.01 29.62 1qn1 s GLN 40 CO 0.01 -0.09 1.01 -1.25 0.01 0.00 0.00 175.29 174.99 1qn1 s PRO 41 N -4.33 3.78 0.49 2.91 0.04 -1.26 -4.52 135.00 132.11 1qn1 s PRO 41 Ca 0.47 1.18 0.43 0.00 0.04 0.00 0.00 61.00 63.12 1qn1 s PRO 41 Cb -0.10 -2.10 1.53 0.00 0.04 0.00 0.00 34.50 33.87 1qn1 s PRO 41 CO 0.34 -0.42 1.39 0.41 0.04 0.00 0.00 177.00 178.76 1qn1 n GLY 42 N -0.84 -0.87 2.89 0.56 0.00 -1.26 -1.36 105.19 104.31 1qn1 n GLY 42 Ca 0.08 0.63 -0.37 0.00 0.00 0.00 0.00 46.02 46.35 1qn1 n GLY 42 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1qn1 n ASP 43 N -3.80 3.59 -0.60 1.61 2.03 -1.26 -3.42 116.55 114.69 1qn1 n ASP 43 Ca 0.39 -2.60 0.00 0.00 0.52 0.00 0.00 54.79 53.10 1qn1 n ASP 43 Cb 1.76 -1.20 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 1qn1 n ASP 43 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1qn1 n LYS 44 N 6.00 0.00 0.17 -0.67 5.02 -1.05 -4.86 118.16 122.76 1qn1 n LYS 44 Ca 0.50 0.00 0.18 0.00 -2.02 0.00 0.00 58.31 56.97 1qn1 n LYS 44 Cb 0.32 -1.16 0.69 0.00 -0.02 0.00 0.00 35.03 34.86 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 0.00 0.00 -0.35 1.97 4.15 -1.24 1.47 115.11 121.11 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 0.53 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.15 1qn1 h GLN 45 CO 0.00 0.00 0.01 2.48 -1.93 0.00 0.00 178.83 179.39 1qn1 n TYR 46 N -3.29 1.15 -1.77 3.99 0.18 -1.26 -3.60 117.16 112.57 1qn1 n TYR 46 Ca 0.05 -1.25 -0.38 0.00 1.88 0.00 0.00 57.90 58.20 1qn1 n TYR 46 Cb 0.65 -0.43 0.05 0.00 -0.38 0.00 0.00 39.34 39.23 1qn1 n TYR 46 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1qn1 s ALA 47 N -3.04 2.61 0.29 -3.48 0.00 0.50 -4.86 121.76 113.79 1qn1 s ALA 47 Ca 0.44 1.28 -0.26 0.00 0.00 0.00 0.00 51.96 53.43 1qn1 s ALA 47 Cb 0.38 -3.56 -0.16 0.00 0.00 0.00 0.00 23.12 19.78 1qn1 s ALA 47 CO 0.05 -1.47 0.48 0.41 0.00 0.00 0.00 175.76 175.23 1qn1 n GLY 48 N 0.80 -1.76 0.16 0.00 0.00 -1.26 -4.87 105.19 98.25 1qn1 n GLY 48 Ca 0.13 0.21 -0.16 0.00 0.00 0.00 0.00 46.02 46.20 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 0.03 0.00 0.00 0.00 1.35 -1.90 -0.14 112.91 112.25 1qn1 h THR 50 Ca -0.03 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 1qn1 h THR 50 Cb 1.10 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 1qn1 h THR 50 CO 0.09 0.00 0.00 0.41 -0.25 0.00 0.00 175.52 175.77 1qn1 n THR 51 N -2.52 0.00 -5.06 6.82 -1.04 -1.26 -3.11 114.28 108.12 1qn1 n THR 51 Ca -0.02 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.68 1qn1 n THR 51 Cb 0.06 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.42 1qn1 n THR 51 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1qn1 s ASP 52 N -2.55 3.15 -1.46 8.00 1.01 -1.26 -4.61 116.67 118.95 1qn1 s ASP 52 Ca 0.00 -0.54 -0.09 0.00 0.71 0.00 0.00 52.55 52.64 1qn1 s ASP 52 Cb 0.00 -0.32 0.04 0.00 1.01 0.00 0.00 42.92 43.65 1qn1 s ASP 52 CO 0.00 0.28 0.76 0.61 0.21 0.00 0.00 175.17 177.03 1qn1 n GLY 53 N 2.03 -0.51 0.00 0.21 0.00 -1.26 -4.89 105.19 100.77 1qn1 n GLY 53 Ca -0.17 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 3.08 -0.05 0.00 8.25 -0.07 -4.33 115.22 122.10 1qn1 n HIS 55 Ca 0.00 -2.82 -0.19 0.00 -0.26 0.00 0.00 57.72 54.45 1qn1 n HIS 55 Cb 0.00 -1.01 -0.13 0.00 1.12 0.00 0.00 29.99 29.97 1qn1 n HIS 55 CO 0.00 0.00 0.00 -2.95 0.64 0.00 0.00 176.34 174.03 1qn1 h ASN 56 N 3.72 0.14 -0.52 0.41 -1.07 -1.48 -3.26 115.58 113.53 1qn1 h ASN 56 Ca 0.46 -0.79 -0.83 0.00 0.07 0.00 0.00 56.30 55.21 1qn1 h ASN 56 Cb 0.34 -0.05 -0.01 0.00 -2.07 0.00 0.00 38.32 36.53 1qn1 h ASN 56 CO 1.14 1.37 0.99 -0.38 0.07 0.00 0.00 177.43 180.62 1qn1 n ILE 57 N -4.31 0.00 -1.62 6.14 5.41 -0.78 -4.63 119.36 119.56 1qn1 n ILE 57 Ca -0.22 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.20 1qn1 n ILE 57 Cb 0.69 -0.50 0.06 0.00 -0.71 0.00 0.00 39.64 39.18 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 5.68 6.96 -4.07 1.39 4.77 -1.26 -1.36 117.00 129.11 1qn1 n LEU 58 Ca 0.43 -4.52 -0.17 0.00 -0.03 0.00 0.00 56.01 51.72 1qn1 n LEU 58 Cb -0.05 -0.83 -0.13 0.00 -2.33 0.00 0.00 43.42 40.07 1qn1 n LEU 58 CO 0.89 1.69 -0.43 -0.62 -1.33 0.00 0.00 177.39 177.59 1qn1 s ASP 59 N -2.17 1.13 -0.15 -1.43 -1.08 -1.26 -4.99 116.67 106.71 1qn1 s ASP 59 Ca 0.59 -0.37 0.17 0.00 -0.52 0.00 0.00 52.55 52.42 1qn1 s ASP 59 Cb 0.47 -0.06 -0.24 0.00 -1.46 0.00 0.00 42.92 41.63 1qn1 s ASP 59 CO -0.07 -0.02 0.25 2.29 0.52 0.00 0.00 175.17 178.14 1qn1 n LYS 60 N 2.11 0.67 0.29 4.34 2.85 -1.26 -4.03 118.16 123.14 1qn1 n LYS 60 Ca -0.18 0.07 0.19 0.00 -1.05 0.00 0.00 58.31 57.35 1qn1 n LYS 60 Cb 0.56 -1.60 1.01 0.00 -0.65 0.00 0.00 35.03 34.35 1qn1 n LYS 60 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1qn1 h ALA 61 N 1.03 1.03 -2.76 0.58 0.00 -2.01 -3.40 119.26 113.73 1qn1 h ALA 61 Ca -0.46 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 53.88 1qn1 h ALA 61 Cb 2.15 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.88 1qn1 h ALA 61 CO 0.04 -0.03 -0.05 -0.51 0.00 0.00 0.00 179.25 178.70 1qn1 s ASP 62 N -4.76 6.93 -0.25 0.00 1.01 -1.26 -5.05 116.67 113.29 1qn1 s ASP 62 Ca -0.04 1.11 -0.10 0.00 0.71 0.00 0.00 52.55 54.22 1qn1 s ASP 62 Cb 0.11 -2.34 -0.05 0.00 1.01 0.00 0.00 42.92 41.65 1qn1 s ASP 62 CO 0.34 0.13 0.16 -0.54 0.21 0.00 0.00 175.17 175.47 1qn1 s LYS 63 N -0.28 4.01 0.00 8.23 -0.14 -1.26 -4.95 119.74 125.35 1qn1 s LYS 63 Ca 0.29 -0.30 0.00 0.00 -1.36 0.00 0.00 55.97 54.61 1qn1 s LYS 63 Cb -0.18 -3.56 0.00 0.00 -1.68 0.00 0.00 37.83 32.41 1qn1 s LYS 63 CO 0.16 -0.02 0.00 0.45 -0.76 0.00 0.00 175.35 175.18 1qn1 n SER 64 N 4.53 0.00 -1.83 2.83 2.88 -1.26 -4.96 113.62 115.81 1qn1 n SER 64 Ca -0.15 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.23 1qn1 n SER 64 Cb 0.52 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.06 1qn1 n SER 64 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1qn1 n VAL 65 N -1.00 2.56 -0.01 2.46 0.31 -1.26 -3.65 118.33 117.75 1qn1 n VAL 65 Ca 0.00 -1.45 0.00 0.00 -0.01 0.00 0.00 64.34 62.89 1qn1 n VAL 65 Cb 0.00 -0.92 0.01 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 -0.26 1.97 -4.56 4.52 3.02 -1.26 -4.73 115.26 113.96 1qn1 n ASN 66 Ca 0.36 -1.91 -0.40 0.00 -0.03 0.00 0.00 54.58 52.61 1qn1 n ASN 66 Cb 0.96 -0.01 -0.10 0.00 -0.61 0.00 0.00 39.78 40.02 1qn1 n ASN 66 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1qn1 s SER 67 N -0.91 6.15 0.36 6.41 0.15 -1.24 -1.87 113.70 122.76 1qn1 s SER 67 Ca 0.01 -0.13 0.11 0.00 0.70 0.00 0.00 55.95 56.64 1qn1 s SER 67 Cb 0.01 -2.18 0.87 0.00 -1.71 0.00 0.00 66.02 63.01 1qn1 s SER 67 CO 0.01 -0.25 1.85 -0.25 1.20 0.00 0.00 173.24 175.80 1qn1 h TRP 68 N 8.40 0.79 -0.13 3.44 -0.00 -1.26 1.51 115.95 128.70 1qn1 h TRP 68 Ca -0.31 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.60 1qn1 h TRP 68 Cb 1.16 -0.24 0.00 0.00 -0.00 0.00 0.00 29.16 30.07 1qn1 h TRP 68 CO 0.71 0.26 0.00 0.98 -0.00 0.00 0.00 178.44 180.39 1qn1 n TYR 69 N -4.58 0.26 -0.07 2.65 9.36 -1.26 -2.89 117.16 120.63 1qn1 n TYR 69 Ca 0.19 -0.11 0.00 0.00 3.32 0.00 0.00 57.90 61.30 1qn1 n TYR 69 Cb 0.54 -0.06 0.00 0.00 -0.63 0.00 0.00 39.34 39.19 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 -0.01 2.81 -0.09 2.98 3.00 0.52 -4.23 118.16 123.13 1qn1 n LYS 70 Ca 0.05 -1.46 0.03 0.00 -0.00 0.00 0.00 58.31 56.93 1qn1 n LYS 70 Cb 0.22 -0.98 0.04 0.00 0.00 0.00 0.00 35.03 34.32 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 -0.48 0.92 0.08 3.15 0.24 -1.08 -4.44 118.33 116.71 1qn1 n VAL 71 Ca 0.00 -1.03 0.00 0.00 -2.04 0.00 0.00 64.34 61.27 1qn1 n VAL 71 Cb 0.27 0.38 0.00 0.00 -1.47 0.00 0.00 33.84 33.02 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 -0.60 0.44 1.97 3.34 0.31 -1.25 -4.38 118.33 118.15 1qn1 n VAL 72 Ca 0.05 0.14 0.13 0.00 -0.01 0.00 0.00 64.34 64.65 1qn1 n VAL 72 Cb 0.47 -0.99 0.75 0.00 -0.91 0.00 0.00 33.84 33.16 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 -3.32 0.01 -0.66 3.52 8.25 -1.26 -1.86 115.22 119.89 1qn1 n HIS 73 Ca 0.00 -0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 1qn1 n HIS 73 Cb 0.05 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.15 1qn1 n HIS 73 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1qn1 n ASP 74 N -0.84 4.22 -0.45 0.41 -0.08 -1.26 -4.58 116.55 113.98 1qn1 n ASP 74 Ca 0.19 -2.29 0.41 0.00 -1.51 0.00 0.00 54.79 51.59 1qn1 n ASP 74 Cb 0.10 -1.02 0.70 0.00 2.34 0.00 0.00 41.12 43.25 1qn1 n ASP 74 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1qn1 h ALA 75 N 6.59 3.37 0.07 -1.67 0.00 -1.89 1.44 119.26 127.17 1qn1 h ALA 75 Ca 0.43 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 1qn1 h ALA 75 Cb 0.16 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1qn1 h ALA 75 CO 1.41 -1.95 -0.03 0.87 0.00 0.00 0.00 179.25 179.55 1qn1 h LYS 76 N 0.00 -0.09 -0.98 0.00 1.79 -1.96 -3.36 116.57 111.97 1qn1 h LYS 76 Ca 0.70 0.01 0.10 0.00 -2.18 0.00 0.00 60.65 59.27 1qn1 h LYS 76 Cb 3.07 0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 33.69 1qn1 h LYS 76 CO -0.01 0.22 -0.31 0.41 -1.08 0.00 0.00 179.45 178.68 1qn1 n GLY 77 N -0.28 -2.52 0.00 3.86 0.00 0.49 -5.00 105.19 101.75 1qn1 n GLY 77 Ca -0.08 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.83 5.24 0.35 -0.02 0.00 -1.26 -4.95 105.19 101.71 1qn1 n GLY 78 Ca -0.02 -0.84 0.17 0.00 0.00 0.00 0.00 46.02 45.34 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 1.00 1.48 -3.57 4.61 0.00 -2.04 -3.39 119.26 117.35 1qn1 h ALA 79 Ca 0.00 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 1qn1 h ALA 79 Cb 0.00 0.01 -0.28 0.00 0.00 0.00 0.00 17.79 17.52 1qn1 h ALA 79 CO 0.00 -0.33 -0.64 0.21 0.00 0.00 0.00 179.25 178.48 1qn1 s LYS 80 N -4.26 0.07 0.78 0.00 2.20 -1.26 -5.15 119.74 112.13 1qn1 s LYS 80 Ca -0.04 0.10 -0.14 0.00 -0.36 0.00 0.00 55.97 55.53 1qn1 s LYS 80 Cb 0.11 0.03 0.07 0.00 -1.51 0.00 0.00 37.83 36.53 1qn1 s LYS 80 CO 0.37 -0.01 1.21 -1.25 -0.36 0.00 0.00 175.35 175.31 1qn1 s PRO 81 N 0.07 1.79 0.00 4.03 0.04 -1.26 -4.84 135.00 134.83 1qn1 s PRO 81 Ca -0.00 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.81 1qn1 s PRO 81 Cb -0.01 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.74 1qn1 s PRO 81 CO -0.00 -2.11 0.00 0.25 0.04 0.00 0.00 177.00 175.18 1qn1 n THR 82 N -3.11 0.00 0.00 1.26 -2.24 -1.26 -4.92 114.28 104.00 1qn1 n THR 82 Ca 0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1qn1 n THR 82 Cb 0.50 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 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 1.56 0.00 0.00 2.04 -1.69 -3.08 117.51 116.34 1qn1 h ILE 84 Ca 0.00 -2.93 0.00 0.00 1.00 0.00 0.00 64.86 62.93 1qn1 h ILE 84 Cb 0.00 2.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.75 1qn1 h ILE 84 CO 0.00 0.85 0.00 -1.54 0.00 0.00 0.00 178.15 177.46 1qn1 n SER 85 N -3.55 0.00 -0.38 1.72 3.41 -1.26 0.20 113.62 113.76 1qn1 n SER 85 Ca -0.04 0.50 -0.03 0.00 -0.26 0.00 0.00 58.87 59.04 1qn1 n SER 85 Cb 0.88 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.84 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 -1.42 -0.43 0.00 -0.00 -1.47 0.60 115.15 112.43 1qn1 h HIS 87 Ca 0.29 0.06 0.12 0.00 -0.00 0.00 0.00 60.37 60.85 1qn1 h HIS 87 Cb 0.53 0.65 -0.02 0.00 -0.00 0.00 0.00 27.41 28.57 1qn1 h HIS 87 CO -0.88 -0.49 0.32 -0.22 -0.00 0.00 0.00 177.93 176.66 1qn1 h LYS 88 N -0.47 0.00 -0.32 2.45 3.64 0.64 1.54 116.57 124.06 1qn1 h LYS 88 Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1qn1 h LYS 88 Cb 0.63 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1qn1 h LYS 88 CO -0.49 0.00 0.00 -3.47 -2.27 0.00 0.00 179.45 173.22 1qn1 n ASP 89 N -4.32 1.80 -3.24 4.20 -0.08 0.18 -4.21 116.55 110.88 1qn1 n ASP 89 Ca 0.07 -1.96 -0.24 0.00 -1.51 0.00 0.00 54.79 51.15 1qn1 n ASP 89 Cb 0.52 -0.21 -0.07 0.00 2.34 0.00 0.00 41.12 43.70 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 0.47 1.13 0.00 -0.67 4.76 0.53 -4.89 118.16 119.48 1qn1 n LYS 90 Ca 0.12 -3.55 0.00 0.00 -2.87 0.00 0.00 58.31 52.01 1qn1 n LYS 90 Cb 0.29 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 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 1.23 0.00 0.00 7.82 0.00 -1.24 -4.86 120.51 123.46 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 -1.33 0.91 2.63 0.00 0.00 -1.26 -4.68 105.19 101.46 1qn1 n GLY 92 Ca 0.00 -1.11 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 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 0.00 2.09 -4.97 1.61 5.75 -1.26 -5.06 116.55 114.71 1qn1 n ASP 93 Ca 0.00 -2.86 -0.20 0.00 -0.01 0.00 0.00 54.79 51.72 1qn1 n ASP 93 Cb 0.00 -0.51 0.06 0.00 -1.03 0.00 0.00 41.12 39.64 1qn1 n ASP 93 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1qn1 s ASP 94 N -3.25 5.02 -0.17 -1.12 2.15 -1.26 -5.07 116.67 112.98 1qn1 s ASP 94 Ca 0.31 -0.72 -0.17 0.00 0.43 0.00 0.00 52.55 52.41 1qn1 s ASP 94 Cb 0.44 0.15 -0.06 0.00 -0.30 0.00 0.00 42.92 43.15 1qn1 s ASP 94 CO -0.01 -1.38 -0.33 0.29 -0.17 0.00 0.00 175.17 173.58 1qn1 n LYS 95 N -2.31 0.51 0.14 4.34 5.02 -1.26 -3.46 118.16 121.14 1qn1 n LYS 95 Ca 0.15 0.22 0.17 0.00 -2.02 0.00 0.00 58.31 56.82 1qn1 n LYS 95 Cb 0.61 -1.41 0.74 0.00 -0.02 0.00 0.00 35.03 34.96 1qn1 n LYS 95 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1qn1 h GLU 96 N -0.96 0.00 -0.43 1.97 4.39 -1.98 1.05 114.58 118.62 1qn1 h GLU 96 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1qn1 h GLU 96 Cb 0.94 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 1qn1 h GLU 96 CO 0.00 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 179.13 1qn1 n LEU 97 N -4.14 3.08 -0.03 1.33 4.77 -1.26 -3.07 117.00 117.69 1qn1 n LEU 97 Ca 0.04 -1.40 0.00 0.00 -0.03 0.00 0.00 56.01 54.62 1qn1 n LEU 97 Cb 0.38 -0.28 -0.09 0.00 -2.33 0.00 0.00 43.42 41.11 1qn1 n LEU 97 CO 0.32 0.70 -0.75 1.17 -1.33 0.00 0.00 177.39 177.50 1qn1 n LYS 98 N 1.22 1.28 -0.89 3.23 3.00 0.33 -4.21 118.16 122.12 1qn1 n LYS 98 Ca 0.19 -0.06 0.01 0.00 -0.00 0.00 0.00 58.31 58.45 1qn1 n LYS 98 Cb 0.53 -1.28 0.17 0.00 0.00 0.00 0.00 35.03 34.45 1qn1 n LYS 98 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1qn1 n LYS 99 N -2.15 1.87 0.10 1.64 5.02 0.45 -3.44 118.16 121.66 1qn1 n LYS 99 Ca -0.10 -3.40 0.00 0.00 -2.02 0.00 0.00 58.31 52.79 1qn1 n LYS 99 Cb 0.58 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 1qn1 n LYS 99 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1qn1 n LYS 100 N -0.98 0.00 0.00 1.97 4.81 -1.17 -3.79 118.16 118.99 1qn1 n LYS 100 Ca 0.23 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.80 1qn1 n LYS 100 Cb 0.76 -0.16 0.52 0.00 0.02 0.00 0.00 35.03 36.17 1qn1 n LYS 100 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1qn1 n LEU 101 N -3.40 0.58 -0.63 3.14 7.99 -1.26 -2.35 117.00 121.07 1qn1 n LEU 101 Ca 0.00 -0.03 -0.01 0.00 -0.01 0.00 0.00 56.01 55.97 1qn1 n LEU 101 Cb 0.02 -0.19 -0.01 0.00 -0.11 0.00 0.00 43.42 43.13 1qn1 n LEU 101 CO 0.00 0.11 0.25 0.35 -1.51 0.00 0.00 177.39 176.59 1qn1 n THR 102 N -0.97 0.00 -2.97 -5.08 -2.24 -1.26 -4.70 114.28 97.07 1qn1 n THR 102 Ca 0.13 -0.07 -0.32 0.00 -2.27 0.00 0.00 64.05 61.51 1qn1 n THR 102 Cb 0.30 0.29 -0.05 0.00 -2.10 0.00 0.00 70.33 68.77 1qn1 n THR 102 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1qn1 s GLY 103 N -0.57 2.25 -0.07 3.38 0.00 -1.22 -4.70 107.32 106.38 1qn1 s GLY 103 Ca 0.02 0.07 -0.06 0.00 0.00 0.00 0.00 44.72 44.75 1qn1 s GLY 103 CO -0.01 0.29 -0.12 0.00 0.00 0.00 0.00 173.10 173.26 1qn1 s LYS 105 N -1.70 3.04 0.00 0.00 2.20 -1.26 -4.32 119.74 117.70 1qn1 s LYS 105 Ca -0.10 -2.35 0.00 0.00 -0.36 0.00 0.00 55.97 53.16 1qn1 s LYS 105 Cb 0.01 -4.10 0.00 0.00 -1.51 0.00 0.00 37.83 32.24 1qn1 s LYS 105 CO 0.15 -1.24 0.00 0.41 -0.36 0.00 0.00 175.35 174.31 1qn1 n GLY 106 N 3.99 1.34 3.24 5.54 0.00 -1.18 -4.82 105.19 113.30 1qn1 n GLY 106 Ca 0.07 0.00 -0.14 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 -2.00 1.51 0.57 1.61 1.04 -1.25 -4.50 113.70 110.67 1qn1 s SER 107 Ca 0.00 -1.08 0.45 0.00 0.48 0.00 0.00 55.95 55.80 1qn1 s SER 107 Cb 0.00 0.05 1.59 0.00 0.10 0.00 0.00 66.02 67.75 1qn1 s SER 107 CO 0.00 -0.44 1.55 0.00 0.98 0.00 0.00 173.24 175.32 1qn1 h ALA 108 N 2.76 3.65 -3.90 5.32 0.00 -1.76 -3.34 119.26 121.99 1qn1 h ALA 108 Ca -0.37 -0.06 -0.68 0.00 0.00 0.00 0.00 54.91 53.80 1qn1 h ALA 108 Cb 1.19 0.13 -0.24 0.00 0.00 0.00 0.00 17.79 18.88 1qn1 h ALA 108 CO 0.64 -2.24 -0.77 0.00 0.00 0.00 0.00 179.25 176.88 1qn1 n HIS 110 N 2.52 -3.29 -3.50 0.00 -0.00 -1.25 -4.60 115.22 105.10 1qn1 n HIS 110 Ca -0.17 1.44 -0.35 0.00 -0.00 0.00 0.00 57.72 58.63 1qn1 n HIS 110 Cb 0.52 -3.50 -0.06 0.00 -0.00 0.00 0.00 29.99 26.96 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 -1.67 3.86 0.00 -0.41 0.04 -1.26 -3.11 135.00 132.45 1qn1 s PRO 111 Ca 0.04 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.40 1qn1 s PRO 111 Cb -0.01 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.51 1qn1 s PRO 111 CO 0.66 0.56 0.00 -1.13 0.04 0.00 0.00 177.00 177.14