#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 -3.57 -2.79 6.55 8.00 -1.26 -4.92 116.55 118.56 1qn1 n ASP 2 Ca 0.00 0.07 -0.23 0.00 0.71 0.00 0.00 54.79 55.33 1qn1 n ASP 2 Cb 0.00 -0.76 -0.02 0.00 -0.02 0.00 0.00 41.12 40.32 1qn1 n ASP 2 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1qn1 n VAL 3 N -3.44 2.06 -2.63 2.53 3.14 -1.26 -5.06 118.33 113.67 1qn1 n VAL 3 Ca -0.00 -4.88 -0.42 0.00 -2.96 0.00 0.00 64.34 56.08 1qn1 n VAL 3 Cb 0.65 -0.90 -0.03 0.00 -1.06 0.00 0.00 33.84 32.50 1qn1 n VAL 3 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1qn1 s PRO 4 N -3.29 4.39 0.00 1.45 0.04 -1.26 -4.90 135.00 131.43 1qn1 s PRO 4 Ca 0.44 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1qn1 s PRO 4 Cb 0.35 -3.56 0.00 0.00 0.04 0.00 0.00 34.50 31.33 1qn1 s PRO 4 CO -0.12 -0.38 0.00 0.00 0.04 0.00 0.00 177.00 176.53 1qn1 n ALA 5 N 5.22 0.00 -3.80 8.56 0.00 -1.26 -5.19 120.51 124.04 1qn1 n ALA 5 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.50 1qn1 n ALA 5 Cb 0.48 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.10 -1.11 0.00 1.11 -1.26 -4.71 116.67 110.60 1qn1 s ASP 6 Ca 0.00 -0.53 -0.06 0.00 0.18 0.00 0.00 52.55 52.14 1qn1 s ASP 6 Cb 0.00 0.50 0.01 0.00 1.07 0.00 0.00 42.92 44.50 1qn1 s ASP 6 CO 0.00 -0.96 0.96 0.61 1.18 0.00 0.00 175.17 176.96 1qn1 n GLY 7 N -0.55 -0.29 3.50 0.21 0.00 -1.26 -4.92 105.19 101.88 1qn1 n GLY 7 Ca -0.05 0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.27 3.16 -0.37 4.61 0.00 -1.26 -4.96 121.76 119.66 1qn1 s ALA 8 Ca 0.39 -2.62 -0.28 0.00 0.00 0.00 0.00 51.96 49.45 1qn1 s ALA 8 Cb -0.17 -4.25 -0.01 0.00 0.00 0.00 0.00 23.12 18.69 1qn1 s ALA 8 CO 0.61 -3.21 1.68 0.15 0.00 0.00 0.00 175.76 174.98 1qn1 s LYS 9 N 3.52 3.38 -0.44 0.00 3.01 -1.26 -2.95 119.74 124.99 1qn1 s LYS 9 Ca 0.39 1.22 -0.19 0.00 -1.01 0.00 0.00 55.97 56.39 1qn1 s LYS 9 Cb -0.03 -4.15 0.03 0.00 -1.01 0.00 0.00 37.83 32.67 1qn1 s LYS 9 CO -0.09 -1.81 0.53 0.42 0.51 0.00 0.00 175.35 174.92 1qn1 s ILE 10 N 6.52 4.98 -0.44 2.17 1.01 0.20 -4.85 121.20 130.78 1qn1 s ILE 10 Ca 0.73 -0.27 0.07 0.00 0.00 0.00 0.00 60.65 61.19 1qn1 s ILE 10 Cb -0.19 -4.14 0.26 0.00 0.01 0.00 0.00 42.46 38.40 1qn1 s ILE 10 CO 0.33 -0.55 0.78 -0.67 0.00 0.00 0.00 174.94 174.83 1qn1 n ASP 11 N 5.88 -1.56 0.19 3.58 2.03 -1.26 -1.11 116.55 124.30 1qn1 n ASP 11 Ca -0.06 -3.12 0.12 0.00 0.52 0.00 0.00 54.79 52.25 1qn1 n ASP 11 Cb 0.47 0.85 0.25 0.00 -0.72 0.00 0.00 41.12 41.97 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 3.82 0.00 -3.30 -0.67 0.04 -1.91 -3.40 116.94 111.52 1qn1 h PHE 12 Ca -0.05 0.00 -0.73 0.00 2.80 0.00 0.00 57.97 59.99 1qn1 h PHE 12 Cb 0.98 0.00 -0.28 0.00 2.20 0.00 0.00 35.95 38.85 1qn1 h PHE 12 CO 0.20 0.00 -0.38 0.42 -0.60 0.00 0.00 178.31 177.94 1qn1 s ILE 13 N -3.19 4.35 0.33 -0.55 1.01 -1.26 -4.94 121.20 116.95 1qn1 s ILE 13 Ca 0.08 -1.67 0.07 0.00 0.00 0.00 0.00 60.65 59.13 1qn1 s ILE 13 Cb 0.07 -3.81 0.39 0.00 0.01 0.00 0.00 42.46 39.12 1qn1 s ILE 13 CO 0.64 -0.74 1.58 0.00 0.00 0.00 0.00 174.94 176.42 1qn1 h ALA 14 N 8.50 1.47 -0.79 9.38 0.00 -1.94 -3.42 119.26 132.46 1qn1 h ALA 14 Ca -0.23 0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1qn1 h ALA 14 Cb 1.08 0.50 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1qn1 h ALA 14 CO 0.86 -0.68 0.00 0.41 0.00 0.00 0.00 179.25 179.85 1qn1 n GLY 15 N -1.42 0.53 2.30 0.00 0.00 -1.26 -4.30 105.19 101.03 1qn1 n GLY 15 Ca 0.27 -0.86 -0.17 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 -1.13 0.08 -0.02 0.00 -1.26 -4.97 105.19 97.89 1qn1 n GLY 16 Ca 0.00 -1.73 -0.02 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.01 -5.26 1.61 4.81 -2.03 -3.27 114.58 110.44 1qn1 h GLU 17 Ca -0.25 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.89 1qn1 h GLU 17 Cb 0.71 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.06 1qn1 h GLU 17 CO 0.18 -0.00 0.49 1.63 -0.73 0.00 0.00 179.01 180.58 1qn1 n LYS 18 N -3.39 0.42 -1.46 1.92 4.01 -1.26 -4.82 118.16 113.58 1qn1 n LYS 18 Ca 0.00 -0.66 -0.47 0.00 -0.51 0.00 0.00 58.31 56.67 1qn1 n LYS 18 Cb 0.05 -3.06 -0.03 0.00 -0.51 0.00 0.00 35.03 31.48 1qn1 n LYS 18 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 1qn1 n ASN 19 N 15.61 -0.39 -4.19 4.39 2.85 -1.23 -4.90 115.26 127.40 1qn1 n ASN 19 Ca 0.52 1.15 -0.40 0.00 -0.11 0.00 0.00 54.58 55.74 1qn1 n ASN 19 Cb 0.36 -1.06 -0.09 0.00 1.24 0.00 0.00 39.78 40.24 1qn1 n ASN 19 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1qn1 s LEU 20 N 2.11 5.65 -0.04 1.20 1.43 -1.26 -5.06 118.68 122.70 1qn1 s LEU 20 Ca 0.63 -2.17 0.05 0.00 -1.03 0.00 0.00 54.13 51.61 1qn1 s LEU 20 Cb -0.87 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 43.36 1qn1 s LEU 20 CO 0.57 -0.60 -0.19 -0.89 0.23 0.00 0.00 176.35 175.47 1qn1 s THR 21 N 0.96 2.69 -0.08 5.49 2.01 -1.26 -4.38 115.64 121.07 1qn1 s THR 21 Ca 0.09 -0.86 0.03 0.00 0.31 0.00 0.00 61.69 61.26 1qn1 s THR 21 Cb -0.23 -2.02 0.01 0.00 0.01 0.00 0.00 72.50 70.27 1qn1 s THR 21 CO -0.03 0.59 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.63 1qn1 s VAL 22 N -0.64 1.47 -0.10 3.82 1.01 -0.27 -4.76 120.40 120.93 1qn1 s VAL 22 Ca 0.10 -0.68 -0.17 0.00 0.00 0.00 0.00 61.98 61.23 1qn1 s VAL 22 Cb -0.11 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 1qn1 s VAL 22 CO 0.00 0.43 0.45 -0.69 0.00 0.00 0.00 175.10 175.29 1qn1 s VAL 23 N 0.53 5.16 0.15 2.92 1.01 -1.26 0.59 120.40 129.50 1qn1 s VAL 23 Ca -0.16 0.90 0.09 0.00 0.00 0.00 0.00 61.98 62.82 1qn1 s VAL 23 Cb -0.16 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 1qn1 s VAL 23 CO 0.06 0.38 -0.15 0.12 0.00 0.00 0.00 175.10 175.51 1qn1 s PHE 24 N 0.31 2.56 -0.04 5.22 2.19 -1.15 -4.99 117.98 122.08 1qn1 s PHE 24 Ca 0.25 -0.25 -0.02 0.00 0.33 0.00 0.00 56.93 57.24 1qn1 s PHE 24 Cb -0.15 -1.30 0.03 0.00 -1.31 0.00 0.00 43.02 40.29 1qn1 s PHE 24 CO 0.10 0.46 0.07 -0.80 1.83 0.00 0.00 175.22 176.88 1qn1 s ASN 25 N -2.51 0.58 0.00 6.13 -0.87 -1.26 -4.00 114.94 113.01 1qn1 s ASN 25 Ca 0.22 0.12 0.21 0.00 -1.57 0.00 0.00 52.86 51.84 1qn1 s ASN 25 Cb -0.09 -0.02 0.98 0.00 -0.02 0.00 0.00 41.25 42.09 1qn1 s ASN 25 CO 0.12 -0.20 1.69 1.41 -2.57 0.00 0.00 177.10 177.56 1qn1 n HIS 26 N 4.80 0.00 0.77 2.20 8.25 -1.26 -2.25 115.22 127.73 1qn1 n HIS 26 Ca -0.14 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.39 1qn1 n HIS 26 Cb 0.50 -0.42 0.21 0.00 1.12 0.00 0.00 29.99 31.40 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 -1.42 2.14 -0.71 0.41 3.41 -1.26 -3.62 113.62 112.57 1qn1 n SER 27 Ca 0.07 -1.96 0.05 0.00 -0.26 0.00 0.00 58.87 56.77 1qn1 n SER 27 Cb 0.22 -0.25 0.10 0.00 -0.26 0.00 0.00 64.21 64.02 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 0.66 1.05 -2.08 6.66 -2.24 -0.95 -4.71 114.28 112.66 1qn1 n THR 28 Ca 0.14 -1.71 -0.05 0.00 -2.27 0.00 0.00 64.05 60.17 1qn1 n THR 28 Cb 0.35 0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.82 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 -0.50 -0.39 0.05 4.78 8.25 -1.24 -4.95 115.22 121.22 1qn1 n HIS 29 Ca 0.11 -0.65 -0.07 0.00 -0.26 0.00 0.00 57.72 56.84 1qn1 n HIS 29 Cb 0.81 0.67 -0.12 0.00 1.12 0.00 0.00 29.99 32.47 1qn1 n HIS 29 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1qn1 h LYS 30 N 0.19 0.00 -0.01 -0.41 3.11 -1.84 -3.02 116.57 114.59 1qn1 h LYS 30 Ca -0.46 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.38 1qn1 h LYS 30 Cb 1.26 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.49 1qn1 h LYS 30 CO -0.22 0.96 0.00 -0.40 -2.81 0.00 0.00 179.45 176.97 1qn1 n ASP 31 N -3.33 0.09 -4.82 4.20 5.75 -1.26 -4.75 116.55 112.43 1qn1 n ASP 31 Ca -0.01 -1.29 -0.36 0.00 -0.01 0.00 0.00 54.79 53.11 1qn1 n ASP 31 Cb 0.95 -0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.97 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 -1.99 5.32 -0.47 2.12 1.01 -1.14 -4.99 120.40 120.25 1qn1 s VAL 32 Ca 0.35 0.14 -0.43 0.00 0.00 0.00 0.00 61.98 62.03 1qn1 s VAL 32 Cb 0.16 -3.33 -0.18 0.00 0.00 0.00 0.00 36.38 33.03 1qn1 s VAL 32 CO 0.27 0.58 2.00 0.29 0.00 0.00 0.00 175.10 178.24 1qn1 n LYS 33 N 2.32 0.19 0.15 2.72 4.01 -1.26 -4.68 118.16 121.61 1qn1 n LYS 33 Ca -0.19 0.06 0.19 0.00 -0.51 0.00 0.00 58.31 57.85 1qn1 n LYS 33 Cb 0.54 -1.64 0.72 0.00 -0.51 0.00 0.00 35.03 34.14 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 -3.39 4.97 -0.09 0.00 5.75 -1.26 -3.95 116.55 118.57 1qn1 n ASP 35 Ca 0.05 -3.74 -0.09 0.00 -0.01 0.00 0.00 54.79 51.00 1qn1 n ASP 35 Cb 0.62 -0.77 -0.14 0.00 -1.03 0.00 0.00 41.12 39.81 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 -1.00 0.73 -0.08 -1.12 -0.08 0.51 -4.57 116.55 110.94 1qn1 n ASP 36 Ca 0.52 -0.01 -0.10 0.00 -1.51 0.00 0.00 54.79 53.70 1qn1 n ASP 36 Cb 1.08 0.86 -0.10 0.00 2.34 0.00 0.00 41.12 45.29 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 -2.37 3.85 -0.44 0.00 3.76 -1.25 -4.85 115.29 113.99 1qn1 s HIS 38 Ca -0.16 -2.21 0.02 0.00 -0.15 0.00 0.00 55.06 52.56 1qn1 s HIS 38 Cb 0.05 -3.96 0.52 0.00 1.11 0.00 0.00 32.58 30.31 1qn1 s HIS 38 CO 0.52 -1.09 1.87 -2.39 -0.85 0.00 0.00 174.74 172.80 1qn1 n HIS 39 N 4.03 2.69 -4.41 1.40 -0.00 -1.26 -4.59 115.22 113.08 1qn1 n HIS 39 Ca 0.22 -2.00 -0.35 0.00 -0.00 0.00 0.00 57.72 55.60 1qn1 n HIS 39 Cb 0.44 -1.00 -0.10 0.00 -0.00 0.00 0.00 29.99 29.33 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 -2.97 3.04 0.40 -1.40 1.11 -1.26 -5.10 119.66 113.48 1qn1 s GLN 40 Ca 0.51 -0.44 -0.10 0.00 0.01 0.00 0.00 55.36 55.34 1qn1 s GLN 40 Cb 0.42 -2.78 -0.06 0.00 -1.01 0.00 0.00 33.01 29.58 1qn1 s GLN 40 CO 0.06 0.64 0.75 -1.25 0.01 0.00 0.00 175.29 175.50 1qn1 s PRO 41 N -0.70 3.74 0.46 2.91 0.04 -1.26 -3.93 135.00 136.26 1qn1 s PRO 41 Ca 0.11 0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.56 1qn1 s PRO 41 Cb -0.12 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 32.01 1qn1 s PRO 41 CO 0.02 -0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.44 1qn1 n GLY 42 N -1.37 -2.31 0.00 0.56 0.00 -1.26 -4.01 105.19 96.81 1qn1 n GLY 42 Ca 0.02 -1.59 0.11 0.00 0.00 0.00 0.00 46.02 44.56 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 0.11 0.00 -0.99 1.61 8.00 -1.26 -2.03 116.55 121.99 1qn1 n ASP 43 Ca 0.00 -0.18 0.06 0.00 0.71 0.00 0.00 54.79 55.38 1qn1 n ASP 43 Cb 0.00 -0.22 0.21 0.00 -0.02 0.00 0.00 41.12 41.09 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 -1.22 2.46 0.18 -1.24 4.76 -1.26 -4.26 118.16 117.58 1qn1 n LYS 44 Ca 0.12 -1.69 0.18 0.00 -2.87 0.00 0.00 58.31 54.04 1qn1 n LYS 44 Cb 0.15 -1.55 0.70 0.00 -1.84 0.00 0.00 35.03 32.49 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 2.53 0.00 -0.37 1.97 4.15 -1.53 1.28 115.11 123.14 1qn1 h GLN 45 Ca 0.00 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.26 1qn1 h GLN 45 Cb 0.85 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.45 1qn1 h GLN 45 CO 0.10 0.00 -0.02 0.66 -1.93 0.00 0.00 178.83 177.64 1qn1 n TYR 46 N -3.27 1.17 -2.71 3.99 4.01 -1.26 -4.16 117.16 114.92 1qn1 n TYR 46 Ca 0.05 -1.47 -0.34 0.00 -0.16 0.00 0.00 57.90 55.97 1qn1 n TYR 46 Cb 0.63 -0.48 -0.06 0.00 -0.31 0.00 0.00 39.34 39.12 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 -3.17 3.03 0.62 -0.72 0.00 0.44 -4.97 121.76 116.99 1qn1 s ALA 47 Ca 0.45 0.50 -0.15 0.00 0.00 0.00 0.00 51.96 52.76 1qn1 s ALA 47 Cb 0.40 -3.19 -0.13 0.00 0.00 0.00 0.00 23.12 20.19 1qn1 s ALA 47 CO 0.02 -0.01 -0.36 0.41 0.00 0.00 0.00 175.76 175.82 1qn1 n GLY 48 N -0.27 -3.36 0.14 0.00 0.00 -1.26 -4.90 105.19 95.53 1qn1 n GLY 48 Ca 0.07 -0.38 -0.21 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.57 2.43 -3.43 0.00 -2.24 -1.24 -1.06 114.28 105.17 1qn1 n THR 50 Ca -0.33 -1.21 -0.44 0.00 -2.27 0.00 0.00 64.05 59.79 1qn1 n THR 50 Cb 1.00 -1.30 -0.04 0.00 -2.10 0.00 0.00 70.33 67.89 1qn1 n THR 50 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1qn1 s THR 51 N -1.54 5.13 0.00 4.28 -4.23 -1.26 -4.44 115.64 113.58 1qn1 s THR 51 Ca 0.21 -2.58 0.00 0.00 -1.18 0.00 0.00 61.69 58.14 1qn1 s THR 51 Cb 0.17 -4.20 0.00 0.00 1.34 0.00 0.00 72.50 69.81 1qn1 s THR 51 CO 0.00 -0.99 0.00 -0.67 -0.54 0.00 0.00 174.62 172.42 1qn1 n ASP 52 N 3.86 0.00 -0.28 3.99 2.03 -1.26 -3.99 116.55 120.90 1qn1 n ASP 52 Ca 0.12 0.00 0.31 0.00 0.52 0.00 0.00 54.79 55.74 1qn1 n ASP 52 Cb 0.45 0.00 0.48 0.00 -0.72 0.00 0.00 41.12 41.32 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 -0.23 -0.78 0.00 0.27 0.00 -1.26 -2.77 105.19 100.42 1qn1 n GLY 53 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.18 0.37 -0.09 0.00 8.25 -0.22 -4.11 115.22 119.24 1qn1 n HIS 55 Ca 0.00 -3.38 -0.17 0.00 -0.26 0.00 0.00 57.72 53.91 1qn1 n HIS 55 Cb 0.00 -0.31 -0.11 0.00 1.12 0.00 0.00 29.99 30.70 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 2.98 0.00 -0.45 0.41 -1.07 -1.33 -3.27 115.58 112.85 1qn1 h ASN 56 Ca 0.02 -0.61 -0.71 0.00 0.07 0.00 0.00 56.30 55.07 1qn1 h ASN 56 Cb 1.05 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.29 1qn1 h ASN 56 CO 0.48 1.22 0.85 -0.38 0.07 0.00 0.00 177.43 179.67 1qn1 n ILE 57 N -4.52 0.00 -1.52 6.14 5.41 -0.89 -4.61 119.36 119.37 1qn1 n ILE 57 Ca -0.21 0.00 -0.28 0.00 1.00 0.00 0.00 62.75 63.26 1qn1 n ILE 57 Cb 0.55 -0.43 0.08 0.00 -0.71 0.00 0.00 39.64 39.13 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 4.86 6.56 -4.46 1.39 4.77 -1.26 -1.71 117.00 127.15 1qn1 n LEU 58 Ca 0.36 -4.30 -0.24 0.00 -0.03 0.00 0.00 56.01 51.80 1qn1 n LEU 58 Cb -0.04 -0.77 -0.10 0.00 -2.33 0.00 0.00 43.42 40.18 1qn1 n LEU 58 CO 0.76 1.58 -0.48 -0.62 -1.33 0.00 0.00 177.39 177.31 1qn1 s ASP 59 N -2.32 3.51 -0.12 -1.43 -1.08 -1.26 -4.99 116.67 108.99 1qn1 s ASP 59 Ca 0.59 -1.02 0.08 0.00 -0.52 0.00 0.00 52.55 51.67 1qn1 s ASP 59 Cb 0.47 -0.29 -0.13 0.00 -1.46 0.00 0.00 42.92 41.52 1qn1 s ASP 59 CO 0.01 0.03 -0.00 0.29 0.52 0.00 0.00 175.17 176.02 1qn1 n LYS 60 N -0.57 1.70 0.29 4.34 4.01 -1.26 -4.40 118.16 122.27 1qn1 n LYS 60 Ca -0.06 0.02 0.18 0.00 -0.51 0.00 0.00 58.31 57.94 1qn1 n LYS 60 Cb 0.60 -1.29 0.88 0.00 -0.51 0.00 0.00 35.03 34.71 1qn1 n LYS 60 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1qn1 h ALA 61 N 0.41 1.10 -2.33 7.82 0.00 -1.98 -3.38 119.26 120.89 1qn1 h ALA 61 Ca -0.31 -0.04 -0.67 0.00 0.00 0.00 0.00 54.91 53.89 1qn1 h ALA 61 Cb 1.64 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 19.25 1qn1 h ALA 61 CO -0.00 0.05 -0.07 -0.51 0.00 0.00 0.00 179.25 178.72 1qn1 s ASP 62 N -5.67 6.26 0.00 0.00 1.11 -1.26 -5.05 116.67 112.06 1qn1 s ASP 62 Ca -0.02 -0.44 0.00 0.00 0.18 0.00 0.00 52.55 52.27 1qn1 s ASP 62 Cb 0.12 -2.26 0.00 0.00 1.07 0.00 0.00 42.92 41.84 1qn1 s ASP 62 CO 0.51 -0.62 0.00 0.29 1.18 0.00 0.00 175.17 176.53 1qn1 n LYS 63 N 5.84 3.06 -0.79 8.23 4.76 -1.26 -4.81 118.16 133.19 1qn1 n LYS 63 Ca -0.05 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.43 1qn1 n LYS 63 Cb 0.48 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.65 1qn1 n LYS 63 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1qn1 n SER 64 N 0.00 -4.24 -1.90 4.39 7.64 -1.26 -4.49 113.62 113.75 1qn1 n SER 64 Ca 0.00 0.88 -0.18 0.00 1.01 0.00 0.00 58.87 60.58 1qn1 n SER 64 Cb 0.00 -2.34 0.06 0.00 -1.01 0.00 0.00 64.21 60.92 1qn1 n SER 64 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1qn1 n VAL 65 N -2.58 2.75 -0.12 0.44 0.31 -1.26 -3.77 118.33 114.10 1qn1 n VAL 65 Ca -0.02 -1.68 0.02 0.00 -0.01 0.00 0.00 64.34 62.65 1qn1 n VAL 65 Cb 0.30 -1.12 0.06 0.00 -0.91 0.00 0.00 33.84 32.17 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 -0.08 2.33 -4.47 4.52 4.13 -1.26 -4.77 115.26 115.66 1qn1 n ASN 66 Ca 0.36 -2.08 -0.42 0.00 1.68 0.00 0.00 54.58 54.13 1qn1 n ASN 66 Cb 0.77 -0.10 -0.10 0.00 -1.54 0.00 0.00 39.78 38.81 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 -1.11 6.03 0.27 6.41 0.01 -1.25 -2.10 113.70 121.96 1qn1 s SER 67 Ca 0.09 -0.76 -0.01 0.00 1.31 0.00 0.00 55.95 56.58 1qn1 s SER 67 Cb 0.06 -2.13 0.60 0.00 0.21 0.00 0.00 66.02 64.76 1qn1 s SER 67 CO 0.05 -0.37 1.65 -0.25 0.41 0.00 0.00 173.24 174.73 1qn1 h TRP 68 N 8.56 0.23 -0.36 2.43 -0.00 -1.38 0.79 115.95 126.23 1qn1 h TRP 68 Ca -0.28 0.05 -0.49 0.00 -0.00 0.00 0.00 58.89 58.17 1qn1 h TRP 68 Cb 1.13 0.03 -0.06 0.00 -0.00 0.00 0.00 29.16 30.26 1qn1 h TRP 68 CO 0.59 -0.20 1.63 0.98 -0.00 0.00 0.00 178.44 181.44 1qn1 n TYR 69 N -5.25 1.49 0.13 2.65 9.36 -1.26 -3.87 117.16 120.42 1qn1 n TYR 69 Ca 0.18 -2.33 0.00 0.00 3.32 0.00 0.00 57.90 59.08 1qn1 n TYR 69 Cb 0.59 -1.91 0.00 0.00 -0.63 0.00 0.00 39.34 37.39 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 2.48 0.00 0.00 2.98 3.00 0.27 -4.69 118.16 122.21 1qn1 n LYS 70 Ca 0.59 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.99 1qn1 n LYS 70 Cb 0.52 0.00 0.48 0.00 0.00 0.00 0.00 35.03 36.03 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 -3.37 0.36 -0.06 3.15 0.24 -1.25 0.20 118.33 117.61 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 -0.79 -0.13 0.00 -1.47 0.00 0.00 33.84 31.45 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 -1.22 1.65 -0.84 3.34 0.31 -1.25 -3.94 118.33 116.37 1qn1 n VAL 72 Ca 0.10 -0.60 0.08 0.00 -0.01 0.00 0.00 64.34 63.91 1qn1 n VAL 72 Cb 0.13 -1.61 0.24 0.00 -0.91 0.00 0.00 33.84 31.68 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 -3.43 0.83 -2.34 3.52 8.25 -0.98 -3.25 115.22 117.82 1qn1 n HIS 73 Ca -0.38 -0.81 -0.43 0.00 -0.26 0.00 0.00 57.72 55.84 1qn1 n HIS 73 Cb 1.01 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.86 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 -0.34 4.64 0.25 0.41 8.00 0.54 -4.70 116.55 125.34 1qn1 n ASP 74 Ca 0.19 -2.90 0.10 0.00 0.71 0.00 0.00 54.79 52.89 1qn1 n ASP 74 Cb 0.80 -1.72 0.66 0.00 -0.02 0.00 0.00 41.12 40.84 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 7.09 1.51 0.00 2.24 0.00 -1.89 -0.13 119.26 128.07 1qn1 h ALA 75 Ca 0.48 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 1qn1 h ALA 75 Cb 0.80 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1qn1 h ALA 75 CO 1.58 0.16 -0.07 -0.22 0.00 0.00 0.00 179.25 180.70 1qn1 h LYS 76 N 0.00 0.00 -2.11 0.00 3.64 -1.96 -3.44 116.57 112.69 1qn1 h LYS 76 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1qn1 h LYS 76 Cb 0.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1qn1 h LYS 76 CO 0.02 0.07 -0.54 0.41 -2.27 0.00 0.00 179.45 177.13 1qn1 n GLY 77 N -1.02 -3.66 0.00 5.01 0.00 -0.06 -5.09 105.19 100.36 1qn1 n GLY 77 Ca -0.02 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.72 5.21 0.38 -0.02 0.00 -1.26 -4.99 105.19 102.79 1qn1 n GLY 78 Ca 0.00 -1.55 0.14 0.00 0.00 0.00 0.00 46.02 44.61 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 2.04 -3.44 4.61 0.00 -2.02 -3.41 119.26 118.04 1qn1 h ALA 79 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.51 1qn1 h ALA 79 Cb 0.00 -0.08 -0.22 0.00 0.00 0.00 0.00 17.79 17.49 1qn1 h ALA 79 CO 0.00 -0.24 -0.78 0.15 0.00 0.00 0.00 179.25 178.38 1qn1 s LYS 80 N -5.47 0.79 0.71 0.00 1.02 -1.26 -5.13 119.74 110.40 1qn1 s LYS 80 Ca -0.08 -0.89 -0.16 0.00 0.02 0.00 0.00 55.97 54.86 1qn1 s LYS 80 Cb 0.21 -0.77 -0.04 0.00 -0.52 0.00 0.00 37.83 36.71 1qn1 s LYS 80 CO 0.77 0.17 0.55 -0.35 -0.92 0.00 0.00 175.35 175.57 1qn1 n PRO 81 N 1.42 0.32 0.00 -1.68 -0.04 -1.26 -4.94 135.00 128.82 1qn1 n PRO 81 Ca -0.21 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1qn1 n PRO 81 Cb 0.54 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 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 -2.34 0.00 0.00 0.52 -2.24 -1.26 -4.93 114.28 104.03 1qn1 n THR 82 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 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 n ILE 84 N -2.18 0.07 0.00 0.00 5.41 -1.20 -3.11 119.36 118.36 1qn1 n ILE 84 Ca 0.00 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.71 1qn1 n ILE 84 Cb 0.00 -0.38 0.00 0.00 -0.71 0.00 0.00 39.64 38.55 1qn1 n ILE 84 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1qn1 n SER 85 N -1.60 0.00 -0.53 4.38 3.41 -1.26 -1.53 113.62 116.49 1qn1 n SER 85 Ca 0.07 0.21 0.43 0.00 -0.26 0.00 0.00 58.87 59.31 1qn1 n SER 85 Cb 0.35 -0.24 0.73 0.00 -0.26 0.00 0.00 64.21 64.79 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 0.04 -0.11 -0.43 0.00 -0.00 -1.68 -2.51 115.15 110.46 1qn1 h HIS 87 Ca 0.83 -0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 61.13 1qn1 h HIS 87 Cb 2.98 0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 30.41 1qn1 h HIS 87 CO -0.00 0.36 -0.05 -0.22 -0.00 0.00 0.00 177.93 178.02 1qn1 h LYS 88 N -0.66 0.72 0.00 2.45 3.64 0.24 -0.35 116.57 122.61 1qn1 h LYS 88 Ca -0.01 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1qn1 h LYS 88 Cb 0.52 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1qn1 h LYS 88 CO 0.02 0.76 0.00 -3.47 -2.27 0.00 0.00 179.45 174.49 1qn1 n ASP 89 N -4.21 0.00 -2.28 4.20 2.03 0.49 -1.87 116.55 114.91 1qn1 n ASP 89 Ca 0.02 0.48 -0.18 0.00 0.52 0.00 0.00 54.79 55.63 1qn1 n ASP 89 Cb 0.31 -0.49 0.03 0.00 -0.72 0.00 0.00 41.12 40.25 1qn1 n ASP 89 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1qn1 n LYS 90 N -1.49 3.05 -0.34 -0.67 5.02 -0.16 -4.65 118.16 118.91 1qn1 n LYS 90 Ca 0.03 -4.00 0.05 0.00 -2.02 0.00 0.00 58.31 52.37 1qn1 n LYS 90 Cb 0.13 -2.07 0.08 0.00 -0.02 0.00 0.00 35.03 33.15 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 -0.65 2.22 0.00 7.82 0.00 -0.78 -4.95 120.51 124.17 1qn1 n ALA 91 Ca 0.33 -1.95 0.00 0.00 0.00 0.00 0.00 53.44 51.82 1qn1 n ALA 91 Cb 0.90 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.72 1.04 2.72 0.00 0.00 -1.26 -2.68 105.19 104.29 1qn1 n GLY 92 Ca 0.09 0.39 -0.03 0.00 0.00 0.00 0.00 46.02 46.47 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 2.36 -0.51 -4.98 1.61 5.75 -1.26 -5.05 116.55 114.47 1qn1 n ASP 93 Ca 0.00 -2.23 -0.21 0.00 -0.01 0.00 0.00 54.79 52.34 1qn1 n ASP 93 Cb 0.00 0.34 0.02 0.00 -1.03 0.00 0.00 41.12 40.45 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 -2.00 5.09 -0.20 -1.12 2.15 -1.09 -5.07 116.67 114.44 1qn1 s ASP 94 Ca 0.17 -0.84 -0.15 0.00 0.43 0.00 0.00 52.55 52.15 1qn1 s ASP 94 Cb 0.41 0.01 -0.10 0.00 -0.30 0.00 0.00 42.92 42.94 1qn1 s ASP 94 CO -0.09 -1.07 -0.16 1.17 -0.17 0.00 0.00 175.17 174.85 1qn1 n LYS 95 N -1.95 0.53 -0.35 4.34 4.81 -1.26 -3.04 118.16 121.24 1qn1 n LYS 95 Ca 0.08 0.41 0.16 0.00 -0.87 0.00 0.00 58.31 58.09 1qn1 n LYS 95 Cb 0.62 -1.60 0.36 0.00 0.02 0.00 0.00 35.03 34.43 1qn1 n LYS 95 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1qn1 h GLU 96 N -1.00 0.63 0.00 1.64 4.57 -1.98 1.22 114.58 119.65 1qn1 h GLU 96 Ca -0.25 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 57.82 1qn1 h GLU 96 Cb 1.08 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.52 1qn1 h GLU 96 CO -0.15 0.41 -0.34 -0.07 -1.18 0.00 0.00 179.01 177.68 1qn1 h LEU 97 N 0.64 0.00 -0.69 1.64 3.38 -1.90 0.26 115.31 118.65 1qn1 h LEU 97 Ca 0.62 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.46 1qn1 h LEU 97 Cb 1.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1qn1 h LEU 97 CO -0.44 0.34 -0.39 0.50 0.09 0.00 0.00 178.44 178.54 1qn1 h LYS 98 N 0.00 0.57 0.00 1.13 1.63 0.14 -2.05 116.57 117.99 1qn1 h LYS 98 Ca -0.00 -0.28 0.00 0.00 -0.85 0.00 0.00 60.65 59.51 1qn1 h LYS 98 Cb 1.18 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 1qn1 h LYS 98 CO 0.04 0.87 -0.14 0.87 -3.45 0.00 0.00 179.45 177.63 1qn1 h LYS 99 N 0.47 0.00 -1.81 1.90 6.56 -0.72 -3.26 116.57 119.71 1qn1 h LYS 99 Ca 0.04 0.00 0.53 0.00 -1.06 0.00 0.00 60.65 60.17 1qn1 h LYS 99 Cb 0.89 0.00 -0.08 0.00 -0.57 0.00 0.00 32.23 32.47 1qn1 h LYS 99 CO 0.08 0.00 1.29 1.17 -2.06 0.00 0.00 179.45 179.93 1qn1 n LYS 100 N -3.12 -0.00 -4.26 3.15 4.81 0.07 0.20 118.16 119.01 1qn1 n LYS 100 Ca -0.02 1.04 -0.30 0.00 -0.87 0.00 0.00 58.31 58.15 1qn1 n LYS 100 Cb 0.08 -2.35 -0.16 0.00 0.02 0.00 0.00 35.03 32.61 1qn1 n LYS 100 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1qn1 s LEU 101 N -7.77 1.80 0.00 3.14 1.02 -0.77 -2.93 118.68 113.17 1qn1 s LEU 101 Ca -0.05 -0.50 0.00 0.00 0.02 0.00 0.00 54.13 53.60 1qn1 s LEU 101 Cb 0.26 -1.21 0.00 0.00 0.02 0.00 0.00 46.19 45.25 1qn1 s LEU 101 CO 0.83 -0.01 0.00 0.35 0.02 0.00 0.00 176.35 177.55 1qn1 n THR 102 N 4.47 0.00 -2.44 5.49 -2.24 -1.23 -4.36 114.28 113.97 1qn1 n THR 102 Ca -0.18 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.28 1qn1 n THR 102 Cb 0.51 -0.23 -0.04 0.00 -2.10 0.00 0.00 70.33 68.47 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 -2.00 2.08 -0.00 3.38 0.00 0.13 -4.92 107.32 105.99 1qn1 s GLY 103 Ca 0.00 0.18 -0.00 0.00 0.00 0.00 0.00 44.72 44.89 1qn1 s GLY 103 CO 0.00 0.45 -0.00 0.00 0.00 0.00 0.00 173.10 173.54 1qn1 s LYS 105 N -1.02 3.41 0.00 0.00 2.20 -1.26 -4.10 119.74 118.97 1qn1 s LYS 105 Ca -0.00 -2.11 0.00 0.00 -0.36 0.00 0.00 55.97 53.49 1qn1 s LYS 105 Cb 0.00 -4.43 0.00 0.00 -1.51 0.00 0.00 37.83 31.89 1qn1 s LYS 105 CO 0.00 -1.37 0.00 0.41 -0.36 0.00 0.00 175.35 174.03 1qn1 n GLY 106 N 4.54 1.35 3.25 5.54 0.00 -1.24 -4.94 105.19 113.68 1qn1 n GLY 106 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 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 1.93 0.56 1.61 1.04 -1.26 -3.81 113.70 111.78 1qn1 s SER 107 Ca 0.00 -0.91 0.47 0.00 0.48 0.00 0.00 55.95 55.99 1qn1 s SER 107 Cb 0.00 -0.05 1.64 0.00 0.10 0.00 0.00 66.02 67.72 1qn1 s SER 107 CO 0.00 -0.23 1.56 0.00 0.98 0.00 0.00 173.24 175.55 1qn1 h ALA 108 N 3.12 3.74 -4.12 5.32 0.00 -1.79 -3.35 119.26 122.19 1qn1 h ALA 108 Ca -0.38 -0.06 -0.69 0.00 0.00 0.00 0.00 54.91 53.77 1qn1 h ALA 108 Cb 1.20 0.14 -0.24 0.00 0.00 0.00 0.00 17.79 18.88 1qn1 h ALA 108 CO 0.57 -2.31 -0.80 0.00 0.00 0.00 0.00 179.25 176.71 1qn1 n HIS 110 N 2.12 -2.66 -3.11 0.00 -0.00 -1.26 -4.63 115.22 105.68 1qn1 n HIS 110 Ca -0.17 1.00 -0.39 0.00 -0.00 0.00 0.00 57.72 58.16 1qn1 n HIS 110 Cb 0.52 -3.94 -0.06 0.00 -0.00 0.00 0.00 29.99 26.51 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 -3.29 4.40 0.00 -0.41 0.04 -1.26 -3.70 135.00 130.78 1qn1 s PRO 111 Ca 0.10 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.06 1qn1 s PRO 111 Cb -0.01 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.22 1qn1 s PRO 111 CO 0.69 0.46 0.00 0.45 0.04 0.00 0.00 177.00 178.64