#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 -4.26 -4.76 6.55 8.00 -1.26 -4.86 116.55 115.97 1qn1 n ASP 2 Ca 0.00 0.12 -0.34 0.00 0.71 0.00 0.00 54.79 55.27 1qn1 n ASP 2 Cb 0.00 -0.76 0.04 0.00 -0.02 0.00 0.00 41.12 40.39 1qn1 n ASP 2 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1qn1 s VAL 3 N -2.07 2.86 0.18 2.53 -7.23 -1.26 -4.98 120.40 110.43 1qn1 s VAL 3 Ca 0.42 0.47 -0.30 0.00 -1.81 0.00 0.00 61.98 60.76 1qn1 s VAL 3 Cb -0.09 -3.07 -0.08 0.00 0.56 0.00 0.00 36.38 33.70 1qn1 s VAL 3 CO 0.74 -0.18 1.10 -2.16 -0.31 0.00 0.00 175.10 174.28 1qn1 s PRO 4 N -3.69 4.60 1.03 4.82 0.04 -1.26 -5.01 135.00 135.53 1qn1 s PRO 4 Ca 0.72 1.71 -0.20 0.00 0.04 0.00 0.00 61.00 63.28 1qn1 s PRO 4 Cb -0.26 -3.28 0.01 0.00 0.04 0.00 0.00 34.50 31.02 1qn1 s PRO 4 CO 0.37 0.08 -0.48 0.00 0.04 0.00 0.00 177.00 177.02 1qn1 n ALA 5 N 2.34 -3.67 -1.95 8.56 0.00 -1.26 -4.44 120.51 120.09 1qn1 n ALA 5 Ca 0.03 -1.22 -0.24 0.00 0.00 0.00 0.00 53.44 52.00 1qn1 n ALA 5 Cb 0.46 -1.08 0.08 0.00 0.00 0.00 0.00 19.45 18.91 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 -1.53 4.70 0.00 0.00 1.01 -1.26 -4.59 116.67 114.99 1qn1 s ASP 6 Ca 0.43 0.15 0.00 0.00 0.71 0.00 0.00 52.55 53.84 1qn1 s ASP 6 Cb -0.02 -0.75 0.00 0.00 1.01 0.00 0.00 42.92 43.15 1qn1 s ASP 6 CO 0.57 -1.63 0.00 0.61 0.21 0.00 0.00 175.17 174.93 1qn1 n GLY 7 N -2.82 1.03 3.57 0.21 0.00 -1.19 -5.03 105.19 100.95 1qn1 n GLY 7 Ca 0.10 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.18 3.35 -0.35 4.61 0.00 -1.16 -4.91 121.76 121.12 1qn1 s ALA 8 Ca 0.00 -0.74 -0.22 0.00 0.00 0.00 0.00 51.96 51.00 1qn1 s ALA 8 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1qn1 s ALA 8 CO 0.00 -1.72 0.70 0.15 0.00 0.00 0.00 175.76 174.89 1qn1 s LYS 9 N 3.33 3.77 -0.40 0.00 3.01 -1.26 -0.62 119.74 127.56 1qn1 s LYS 9 Ca 0.33 0.24 -0.16 0.00 -1.01 0.00 0.00 55.97 55.36 1qn1 s LYS 9 Cb -0.12 -3.79 0.01 0.00 -1.01 0.00 0.00 37.83 32.92 1qn1 s LYS 9 CO 0.20 -0.75 0.40 0.42 0.51 0.00 0.00 175.35 176.13 1qn1 s ILE 10 N 2.86 5.14 -0.40 2.17 1.01 0.12 -4.92 121.20 127.17 1qn1 s ILE 10 Ca 0.28 -0.33 0.05 0.00 0.00 0.00 0.00 60.65 60.64 1qn1 s ILE 10 Cb -0.14 -3.98 0.17 0.00 0.01 0.00 0.00 42.46 38.52 1qn1 s ILE 10 CO 0.15 -0.34 0.46 -0.62 0.00 0.00 0.00 174.94 174.59 1qn1 s ASP 11 N 1.77 0.42 0.00 3.58 2.15 -1.26 -2.53 116.67 120.80 1qn1 s ASP 11 Ca 0.11 -1.70 0.23 0.00 0.43 0.00 0.00 52.55 51.61 1qn1 s ASP 11 Cb -0.17 0.82 0.03 0.00 -0.30 0.00 0.00 42.92 43.30 1qn1 s ASP 11 CO 0.13 -0.20 1.11 0.49 -0.17 0.00 0.00 175.17 176.52 1qn1 n PHE 12 N 3.87 0.00 -3.54 -5.34 3.72 -1.26 -4.77 117.46 110.14 1qn1 n PHE 12 Ca 0.15 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.13 1qn1 n PHE 12 Cb 0.49 -0.02 -0.09 0.00 -0.94 0.00 0.00 39.48 38.93 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 -2.58 4.39 0.24 4.37 1.01 -1.26 -4.94 121.20 122.43 1qn1 s ILE 13 Ca 0.17 -1.56 -0.05 0.00 0.00 0.00 0.00 60.65 59.22 1qn1 s ILE 13 Cb 0.18 -3.79 0.21 0.00 0.01 0.00 0.00 42.46 39.07 1qn1 s ILE 13 CO 0.62 -0.67 1.76 0.00 0.00 0.00 0.00 174.94 176.66 1qn1 h ALA 14 N 8.50 1.09 -0.75 9.38 0.00 -2.00 -3.45 119.26 132.03 1qn1 h ALA 14 Ca -0.23 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1qn1 h ALA 14 Cb 1.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1qn1 h ALA 14 CO 0.84 -0.09 0.00 0.41 0.00 0.00 0.00 179.25 180.41 1qn1 n GLY 15 N -1.32 0.72 0.00 0.00 0.00 -1.26 -4.21 105.19 99.12 1qn1 n GLY 15 Ca 0.14 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.65 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 -1.56 1.27 -0.02 0.00 -1.26 -5.14 105.19 98.48 1qn1 n GLY 16 Ca 0.00 0.79 0.15 0.00 0.00 0.00 0.00 46.02 46.96 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 0.00 -2.60 -4.34 1.61 2.13 -1.26 -4.71 120.64 111.47 1qn1 n GLU 17 Ca 0.00 2.03 -0.32 0.00 0.66 0.00 0.00 57.16 59.53 1qn1 n GLU 17 Cb 0.00 -3.18 -0.09 0.00 0.27 0.00 0.00 31.44 28.44 1qn1 n GLU 17 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1qn1 n LYS 18 N -3.97 -1.00 -1.74 5.31 4.81 -1.26 -4.90 118.16 115.41 1qn1 n LYS 18 Ca -0.05 0.11 -0.20 0.00 -0.87 0.00 0.00 58.31 57.30 1qn1 n LYS 18 Cb 0.61 -3.78 0.12 0.00 0.02 0.00 0.00 35.03 32.00 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 -2.83 0.52 -4.28 3.14 6.94 -1.26 -5.10 115.26 112.38 1qn1 n ASN 19 Ca -0.26 -1.60 -0.28 0.00 -0.02 0.00 0.00 54.58 52.42 1qn1 n ASN 19 Cb 0.66 -0.63 -0.15 0.00 -2.36 0.00 0.00 39.78 37.30 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 2.15 -0.01 -4.53 2.34 -1.26 -5.14 118.68 112.23 1qn1 s LEU 20 Ca 0.54 -0.53 0.05 0.00 0.06 0.00 0.00 54.13 54.24 1qn1 s LEU 20 Cb -0.02 -1.11 -0.01 0.00 -0.56 0.00 0.00 46.19 44.48 1qn1 s LEU 20 CO 0.37 0.21 -0.16 -0.89 -1.06 0.00 0.00 176.35 174.82 1qn1 s THR 21 N -0.76 1.26 -0.17 5.48 2.01 -1.26 -4.82 115.64 117.38 1qn1 s THR 21 Ca 0.09 -0.68 -0.04 0.00 0.31 0.00 0.00 61.69 61.38 1qn1 s THR 21 Cb -0.09 -1.05 -0.02 0.00 0.01 0.00 0.00 72.50 71.34 1qn1 s THR 21 CO 0.01 0.36 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.57 1qn1 s VAL 22 N -0.33 3.80 -0.11 3.82 1.01 -1.05 -4.69 120.40 122.85 1qn1 s VAL 22 Ca 0.05 -0.38 -0.17 0.00 0.00 0.00 0.00 61.98 61.48 1qn1 s VAL 22 Cb -0.07 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 1qn1 s VAL 22 CO -0.00 0.48 0.43 -0.69 0.00 0.00 0.00 175.10 175.31 1qn1 s VAL 23 N 0.55 5.19 0.12 2.92 1.01 -1.26 0.12 120.40 129.06 1qn1 s VAL 23 Ca -0.03 0.84 0.07 0.00 0.00 0.00 0.00 61.98 62.87 1qn1 s VAL 23 Cb -0.14 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 1qn1 s VAL 23 CO 0.03 0.37 -0.09 0.12 0.00 0.00 0.00 175.10 175.53 1qn1 s PHE 24 N 0.38 2.75 -0.04 5.22 2.19 0.21 -4.93 117.98 123.76 1qn1 s PHE 24 Ca 0.23 -0.16 -0.01 0.00 0.33 0.00 0.00 56.93 57.32 1qn1 s PHE 24 Cb -0.15 -1.41 0.03 0.00 -1.31 0.00 0.00 43.02 40.18 1qn1 s PHE 24 CO 0.09 0.45 0.05 -0.80 1.83 0.00 0.00 175.22 176.84 1qn1 s ASN 25 N -2.36 0.99 0.00 6.13 -0.87 -1.26 -3.01 114.94 114.56 1qn1 s ASN 25 Ca 0.23 0.05 0.30 0.00 -1.57 0.00 0.00 52.86 51.87 1qn1 s ASN 25 Cb -0.11 -0.17 1.74 0.00 -0.02 0.00 0.00 41.25 42.69 1qn1 s ASN 25 CO 0.15 -0.22 2.11 1.41 -2.57 0.00 0.00 177.10 177.98 1qn1 n HIS 26 N 5.05 0.00 0.07 2.20 8.25 -1.26 -3.02 115.22 126.51 1qn1 n HIS 26 Ca -0.09 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.31 1qn1 n HIS 26 Cb 0.50 -0.06 -0.07 0.00 1.12 0.00 0.00 29.99 31.47 1qn1 n HIS 26 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1qn1 h SER 27 N 0.00 0.01 -0.64 0.41 4.64 -1.94 -3.12 113.55 112.90 1qn1 h SER 27 Ca 0.00 -0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.14 1qn1 h SER 27 Cb 0.06 -0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.05 1qn1 h SER 27 CO 0.00 0.95 0.19 0.35 -0.87 0.00 0.00 176.83 177.45 1qn1 n THR 28 N -3.43 2.83 -2.40 2.95 -2.24 -1.17 -4.14 114.28 106.68 1qn1 n THR 28 Ca -0.00 -1.73 -0.00 0.00 -2.27 0.00 0.00 64.05 60.05 1qn1 n THR 28 Cb 0.89 -0.34 0.01 0.00 -2.10 0.00 0.00 70.33 68.79 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 -0.18 -0.01 0.01 4.78 8.25 -1.19 -4.89 115.22 121.99 1qn1 n HIS 29 Ca 0.37 -0.82 -0.18 0.00 -0.26 0.00 0.00 57.72 56.83 1qn1 n HIS 29 Cb 1.29 0.19 -0.14 0.00 1.12 0.00 0.00 29.99 32.45 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 0.90 0.21 0.00 -0.41 1.57 -1.70 -3.29 116.57 113.85 1qn1 h LYS 30 Ca -0.34 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.08 1qn1 h LYS 30 Cb 1.62 0.13 0.00 0.00 0.08 0.00 0.00 32.23 34.06 1qn1 h LYS 30 CO -0.03 1.03 0.00 -0.40 -0.57 0.00 0.00 179.45 179.48 1qn1 n ASP 31 N -3.38 0.00 -4.48 0.86 5.75 -1.26 -4.67 116.55 109.37 1qn1 n ASP 31 Ca -0.26 -1.26 -0.35 0.00 -0.01 0.00 0.00 54.79 52.91 1qn1 n ASP 31 Cb 1.05 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 41.02 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 -2.00 4.23 -0.01 2.12 1.01 -1.24 -5.05 120.40 119.47 1qn1 s VAL 32 Ca 0.34 -0.21 -0.38 0.00 0.00 0.00 0.00 61.98 61.73 1qn1 s VAL 32 Cb 0.16 -2.93 -0.16 0.00 0.00 0.00 0.00 36.38 33.44 1qn1 s VAL 32 CO 0.26 0.40 1.45 0.29 0.00 0.00 0.00 175.10 177.50 1qn1 n LYS 33 N 4.34 1.16 0.26 2.72 4.76 -1.26 -4.79 118.16 125.34 1qn1 n LYS 33 Ca -0.17 0.42 0.10 0.00 -2.87 0.00 0.00 58.31 55.79 1qn1 n LYS 33 Cb 0.52 -2.08 0.67 0.00 -1.84 0.00 0.00 35.03 32.30 1qn1 n LYS 33 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1qn1 n ASP 35 N -4.10 0.00 0.11 0.00 5.68 -1.26 0.21 116.55 117.19 1qn1 n ASP 35 Ca -0.03 0.37 -0.03 0.00 -0.50 0.00 0.00 54.79 54.60 1qn1 n ASP 35 Cb 0.18 -0.43 0.05 0.00 -1.14 0.00 0.00 41.12 39.78 1qn1 n ASP 35 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 1qn1 h ASP 36 N 0.00 0.00 0.00 -1.12 2.03 -0.70 -3.35 116.42 113.28 1qn1 h ASP 36 Ca 0.00 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.17 1qn1 h ASP 36 Cb 0.21 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.69 1qn1 h ASP 36 CO 0.00 0.74 -1.48 0.00 -1.03 0.00 0.00 179.24 177.48 1qn1 s HIS 38 N -2.17 3.80 -0.55 0.00 3.76 0.56 -4.84 115.29 115.85 1qn1 s HIS 38 Ca -0.11 -2.18 0.01 0.00 -0.15 0.00 0.00 55.06 52.64 1qn1 s HIS 38 Cb 0.03 -4.00 0.56 0.00 1.11 0.00 0.00 32.58 30.28 1qn1 s HIS 38 CO 0.20 -1.14 1.96 -2.39 -0.85 0.00 0.00 174.74 172.52 1qn1 n HIS 39 N 4.26 3.11 -3.44 1.40 1.44 -1.26 -4.00 115.22 116.73 1qn1 n HIS 39 Ca 0.24 -2.40 -0.43 0.00 -2.01 0.00 0.00 57.72 53.11 1qn1 n HIS 39 Cb 0.44 -1.17 -0.09 0.00 0.12 0.00 0.00 29.99 29.29 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 -3.55 2.95 0.54 -1.40 -1.52 -1.26 -5.07 119.66 110.36 1qn1 s GLN 40 Ca 0.60 -1.19 -0.14 0.00 -1.95 0.00 0.00 55.36 52.68 1qn1 s GLN 40 Cb 0.49 -4.03 -0.06 0.00 -0.22 0.00 0.00 33.01 29.19 1qn1 s GLN 40 CO 0.05 -0.88 0.98 -1.25 -0.25 0.00 0.00 175.29 173.94 1qn1 s PRO 41 N 1.65 3.81 0.00 2.91 0.04 -1.26 -3.54 135.00 138.60 1qn1 s PRO 41 Ca 0.04 0.83 0.00 0.00 0.04 0.00 0.00 61.00 61.91 1qn1 s PRO 41 Cb -0.22 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.18 1qn1 s PRO 41 CO 0.08 -0.35 0.00 0.41 0.04 0.00 0.00 177.00 177.18 1qn1 n GLY 42 N -1.97 0.61 0.42 0.56 0.00 -1.26 -4.44 105.19 99.11 1qn1 n GLY 42 Ca 0.06 -1.49 0.06 0.00 0.00 0.00 0.00 46.02 44.65 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 0.00 1.44 -2.63 1.61 8.00 -1.26 -4.74 116.55 118.97 1qn1 n ASP 43 Ca 0.00 -2.80 -0.11 0.00 0.71 0.00 0.00 54.79 52.58 1qn1 n ASP 43 Cb 0.00 -0.37 0.03 0.00 -0.02 0.00 0.00 41.12 40.76 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 -0.78 1.73 0.32 -1.24 5.02 -1.26 -4.87 118.16 117.07 1qn1 n LYS 44 Ca 0.11 -3.54 0.17 0.00 -2.02 0.00 0.00 58.31 53.02 1qn1 n LYS 44 Cb 0.72 -1.52 0.86 0.00 -0.02 0.00 0.00 35.03 35.07 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 2.83 0.00 -0.47 1.97 4.15 -1.84 1.38 115.11 123.12 1qn1 h GLN 45 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1qn1 h GLN 45 Cb 1.17 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.86 1qn1 h GLN 45 CO 0.52 0.00 0.00 0.66 -1.93 0.00 0.00 178.83 178.08 1qn1 n TYR 46 N -3.00 0.98 -1.39 3.99 4.01 -1.26 -4.35 117.16 116.14 1qn1 n TYR 46 Ca -0.01 -0.62 -0.38 0.00 -0.16 0.00 0.00 57.90 56.73 1qn1 n TYR 46 Cb 0.36 -0.16 0.05 0.00 -0.31 0.00 0.00 39.34 39.27 1qn1 n TYR 46 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1qn1 n ALA 47 N 0.63 -1.41 -1.16 -0.72 0.00 0.47 -4.74 120.51 113.58 1qn1 n ALA 47 Ca 0.20 -0.10 -0.39 0.00 0.00 0.00 0.00 53.44 53.14 1qn1 n ALA 47 Cb 0.71 -1.81 -0.02 0.00 0.00 0.00 0.00 19.45 18.33 1qn1 n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qn1 n GLY 48 N 1.80 -1.55 0.14 0.00 0.00 -1.26 -4.87 105.19 99.46 1qn1 n GLY 48 Ca 0.11 0.25 -0.24 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.81 3.53 -1.41 0.00 -2.24 -1.25 -3.11 114.28 105.98 1qn1 n THR 50 Ca -0.17 -3.12 -0.29 0.00 -2.27 0.00 0.00 64.05 58.20 1qn1 n THR 50 Cb 1.04 -1.16 0.18 0.00 -2.10 0.00 0.00 70.33 68.28 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 -4.82 1.90 0.45 4.28 2.01 -1.24 -4.24 115.64 113.98 1qn1 s THR 51 Ca 0.63 0.00 -0.25 0.00 0.31 0.00 0.00 61.69 62.38 1qn1 s THR 51 Cb 0.50 -2.67 -0.08 0.00 0.01 0.00 0.00 72.50 70.25 1qn1 s THR 51 CO -0.02 0.00 1.42 1.51 -0.69 0.00 0.00 174.62 176.84 1qn1 s ASP 52 N -4.01 5.88 -1.91 3.53 -4.77 -1.26 -1.61 116.67 112.51 1qn1 s ASP 52 Ca 0.67 2.90 0.00 0.00 -3.30 0.00 0.00 52.55 52.82 1qn1 s ASP 52 Cb -0.13 -2.65 0.00 0.00 -1.09 0.00 0.00 42.92 39.05 1qn1 s ASP 52 CO 0.55 -1.17 0.00 0.61 0.70 0.00 0.00 175.17 175.85 1qn1 n GLY 53 N 0.59 0.55 0.00 2.12 0.00 -1.26 -4.89 105.19 102.30 1qn1 n GLY 53 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 2.53 -0.12 0.00 8.25 -1.18 -4.37 115.22 120.33 1qn1 n HIS 55 Ca 0.00 -2.82 -0.25 0.00 -0.26 0.00 0.00 57.72 54.39 1qn1 n HIS 55 Cb 0.00 -1.13 -0.11 0.00 1.12 0.00 0.00 29.99 29.87 1qn1 n HIS 55 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1qn1 n ASN 56 N 1.04 1.96 -4.53 0.41 6.94 -1.14 -3.86 115.26 116.08 1qn1 n ASN 56 Ca 0.29 0.24 -0.64 0.00 -0.02 0.00 0.00 54.58 54.45 1qn1 n ASN 56 Cb 0.33 -0.77 -0.11 0.00 -2.36 0.00 0.00 39.78 36.88 1qn1 n ASN 56 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1qn1 n ILE 57 N -4.01 0.00 -1.67 1.53 5.41 -1.02 -4.62 119.36 114.98 1qn1 n ILE 57 Ca -0.47 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 62.95 1qn1 n ILE 57 Cb 0.88 -0.50 0.05 0.00 -0.71 0.00 0.00 39.64 39.37 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 5.43 6.96 -4.47 1.39 4.77 -1.26 -1.53 117.00 128.29 1qn1 n LEU 58 Ca 0.41 -4.57 -0.24 0.00 -0.03 0.00 0.00 56.01 51.58 1qn1 n LEU 58 Cb -0.05 -0.85 -0.08 0.00 -2.33 0.00 0.00 43.42 40.11 1qn1 n LEU 58 CO 0.89 1.71 -0.19 1.51 -1.33 0.00 0.00 177.39 179.97 1qn1 s ASP 59 N -2.10 2.52 -0.14 -1.43 -4.77 -1.26 -5.00 116.67 104.49 1qn1 s ASP 59 Ca 0.58 -1.65 0.22 0.00 -3.30 0.00 0.00 52.55 48.41 1qn1 s ASP 59 Cb 0.47 0.46 0.46 0.00 -1.09 0.00 0.00 42.92 43.22 1qn1 s ASP 59 CO -0.11 -0.92 1.15 2.29 0.70 0.00 0.00 175.17 178.29 1qn1 n LYS 60 N -0.83 1.06 -0.16 2.11 2.85 -1.26 -4.58 118.16 117.35 1qn1 n LYS 60 Ca -0.04 -2.85 0.00 0.00 -1.05 0.00 0.00 58.31 54.38 1qn1 n LYS 60 Cb 0.65 -0.92 0.00 0.00 -0.65 0.00 0.00 35.03 34.11 1qn1 n LYS 60 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1qn1 n ALA 61 N -0.15 1.41 0.06 0.58 0.00 -1.26 -4.75 120.51 116.40 1qn1 n ALA 61 Ca 0.10 -0.75 0.05 0.00 0.00 0.00 0.00 53.44 52.84 1qn1 n ALA 61 Cb 0.96 -0.17 -0.07 0.00 0.00 0.00 0.00 19.45 20.17 1qn1 n ALA 61 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1qn1 n ASP 62 N -0.07 2.51 0.00 0.00 -0.08 -1.26 -5.09 116.55 112.55 1qn1 n ASP 62 Ca 0.00 -0.10 0.00 0.00 -1.51 0.00 0.00 54.79 53.19 1qn1 n ASP 62 Cb 0.55 1.37 0.00 0.00 2.34 0.00 0.00 41.12 45.39 1qn1 n ASP 62 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1qn1 n LYS 63 N -1.75 0.00 -1.38 -0.67 4.76 -1.26 -5.01 118.16 112.86 1qn1 n LYS 63 Ca -0.01 0.00 0.17 0.00 -2.87 0.00 0.00 58.31 55.60 1qn1 n LYS 63 Cb 0.23 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.33 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 -0.54 -7.59 -1.96 4.39 7.64 -1.26 -4.31 113.62 109.99 1qn1 n SER 64 Ca 0.00 1.35 -0.20 0.00 1.01 0.00 0.00 58.87 61.03 1qn1 n SER 64 Cb 0.00 -4.72 0.05 0.00 -1.01 0.00 0.00 64.21 58.54 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 -4.24 2.89 -1.21 0.44 0.31 -1.26 -3.80 118.33 111.46 1qn1 n VAL 65 Ca -0.08 -1.84 0.07 0.00 -0.01 0.00 0.00 64.34 62.47 1qn1 n VAL 65 Cb 0.66 -1.22 0.09 0.00 -0.91 0.00 0.00 33.84 32.45 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 -0.00 1.70 -4.29 4.52 4.13 -1.26 -4.76 115.26 115.30 1qn1 n ASN 66 Ca 0.37 -2.69 -0.40 0.00 1.68 0.00 0.00 54.58 53.54 1qn1 n ASN 66 Cb 0.67 -0.33 -0.11 0.00 -1.54 0.00 0.00 39.78 38.47 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 -2.21 5.59 0.54 6.41 0.01 -1.25 -2.43 113.70 120.36 1qn1 s SER 67 Ca 0.21 -1.35 0.43 0.00 1.31 0.00 0.00 55.95 56.55 1qn1 s SER 67 Cb 0.18 -1.97 1.63 0.00 0.21 0.00 0.00 66.02 66.07 1qn1 s SER 67 CO 0.02 -0.47 1.66 -0.25 0.41 0.00 0.00 173.24 174.61 1qn1 h TRP 68 N 8.37 0.08 -1.17 2.43 -0.00 -1.39 1.31 115.95 125.57 1qn1 h TRP 68 Ca -0.23 0.00 -0.57 0.00 -0.00 0.00 0.00 58.89 58.09 1qn1 h TRP 68 Cb 1.09 -0.02 -0.21 0.00 -0.00 0.00 0.00 29.16 30.01 1qn1 h TRP 68 CO 0.60 -0.02 0.66 0.98 -0.00 0.00 0.00 178.44 180.66 1qn1 n TYR 69 N -4.12 2.25 0.14 2.65 9.36 -1.26 -3.96 117.16 122.22 1qn1 n TYR 69 Ca 0.37 -2.25 0.00 0.00 3.32 0.00 0.00 57.90 59.33 1qn1 n TYR 69 Cb 1.66 -1.26 0.00 0.00 -0.63 0.00 0.00 39.34 39.11 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 0.06 0.00 0.00 2.98 3.00 0.45 -4.68 118.16 119.97 1qn1 n LYS 70 Ca 0.49 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.86 1qn1 n LYS 70 Cb 0.50 -0.05 0.32 0.00 0.00 0.00 0.00 35.03 35.79 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 -3.48 0.79 -0.03 3.15 0.24 -1.22 0.21 118.33 117.99 1qn1 n VAL 71 Ca 0.00 0.20 -0.22 0.00 -2.04 0.00 0.00 64.34 62.28 1qn1 n VAL 71 Cb 0.00 -0.98 -0.13 0.00 -1.47 0.00 0.00 33.84 31.26 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 -1.35 1.70 -0.83 3.34 0.31 -1.25 -4.00 118.33 116.25 1qn1 n VAL 72 Ca 0.05 -0.46 0.08 0.00 -0.01 0.00 0.00 64.34 64.01 1qn1 n VAL 72 Cb 0.12 -1.83 0.28 0.00 -0.91 0.00 0.00 33.84 31.50 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 -3.79 1.12 -1.76 3.52 8.25 -0.88 -3.58 115.22 118.10 1qn1 n HIS 73 Ca -0.32 -0.77 -0.42 0.00 -0.26 0.00 0.00 57.72 55.94 1qn1 n HIS 73 Cb 0.93 -0.30 -0.00 0.00 1.12 0.00 0.00 29.99 31.74 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 3.87 -0.58 0.41 8.00 0.57 -4.72 116.55 124.09 1qn1 n ASP 74 Ca 0.22 -2.84 0.46 0.00 0.71 0.00 0.00 54.79 53.34 1qn1 n ASP 74 Cb 0.88 -1.64 0.74 0.00 -0.02 0.00 0.00 41.12 41.08 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 6.33 1.61 -3.76 2.24 0.00 -1.26 -2.81 120.51 122.87 1qn1 n ALA 75 Ca 0.52 0.77 -0.36 0.00 0.00 0.00 0.00 53.44 54.37 1qn1 n ALA 75 Cb 0.40 -1.10 -0.12 0.00 0.00 0.00 0.00 19.45 18.63 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 -5.06 2.03 0.00 0.00 2.47 -1.26 -4.27 119.74 113.66 1qn1 s LYS 76 Ca -0.06 -1.77 0.00 0.00 -1.56 0.00 0.00 55.97 52.58 1qn1 s LYS 76 Cb 0.29 -3.55 0.00 0.00 -1.46 0.00 0.00 37.83 33.11 1qn1 s LYS 76 CO 0.85 -1.03 0.00 0.41 0.16 0.00 0.00 175.35 175.74 1qn1 n GLY 77 N 4.59 0.82 0.00 5.54 0.00 -1.12 -5.06 105.19 109.96 1qn1 n GLY 77 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.52 0.37 -0.02 0.00 -1.26 -4.93 105.19 102.83 1qn1 n GLY 78 Ca 0.00 0.62 0.13 0.00 0.00 0.00 0.00 46.02 46.77 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 1.95 -2.52 4.61 0.00 -2.04 -3.42 119.26 117.85 1qn1 h ALA 79 Ca 0.00 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1qn1 h ALA 79 Cb 0.00 -0.10 -0.21 0.00 0.00 0.00 0.00 17.79 17.48 1qn1 h ALA 79 CO 0.00 -0.17 -0.20 0.21 0.00 0.00 0.00 179.25 179.08 1qn1 s LYS 80 N -5.55 0.65 0.97 0.00 2.20 -1.26 -5.14 119.74 111.60 1qn1 s LYS 80 Ca -0.09 0.12 -0.10 0.00 -0.36 0.00 0.00 55.97 55.53 1qn1 s LYS 80 Cb 0.21 0.30 0.18 0.00 -1.51 0.00 0.00 37.83 37.01 1qn1 s LYS 80 CO 0.78 -0.16 1.13 -1.25 -0.36 0.00 0.00 175.35 175.48 1qn1 s PRO 81 N -0.80 0.61 0.00 4.03 0.04 -1.26 -4.69 135.00 132.92 1qn1 s PRO 81 Ca -0.09 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.40 1qn1 s PRO 81 Cb -0.04 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.81 1qn1 s PRO 81 CO 0.04 -2.88 0.00 0.25 0.04 0.00 0.00 177.00 174.45 1qn1 n THR 82 N -4.40 0.00 0.00 1.26 -2.24 -1.26 -4.92 114.28 102.72 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 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 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 1.04 0.00 0.00 2.04 -1.89 -3.13 117.51 115.58 1qn1 h ILE 84 Ca 0.00 -2.42 0.00 0.00 1.00 0.00 0.00 64.86 63.44 1qn1 h ILE 84 Cb 0.04 2.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 1qn1 h ILE 84 CO 0.00 0.59 0.00 -1.54 0.00 0.00 0.00 178.15 177.20 1qn1 n SER 85 N -3.27 0.00 -0.29 1.72 3.41 -1.26 0.19 113.62 114.11 1qn1 n SER 85 Ca 0.01 0.33 0.13 0.00 -0.26 0.00 0.00 58.87 59.08 1qn1 n SER 85 Cb 0.76 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.96 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 -0.84 0.00 0.00 -0.00 -1.55 -1.07 115.15 111.69 1qn1 h HIS 87 Ca 0.51 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.87 1qn1 h HIS 87 Cb 1.06 0.29 0.00 0.00 -0.00 0.00 0.00 27.41 28.76 1qn1 h HIS 87 CO -0.43 -0.49 0.27 -0.22 -0.00 0.00 0.00 177.93 177.06 1qn1 h LYS 88 N -0.82 0.00 -0.61 2.45 3.11 0.68 1.49 116.57 122.86 1qn1 h LYS 88 Ca -0.08 0.00 -0.24 0.00 -2.81 0.00 0.00 60.65 57.52 1qn1 h LYS 88 Cb 0.65 0.00 -0.14 0.00 -1.00 0.00 0.00 32.23 31.73 1qn1 h LYS 88 CO 0.10 0.00 0.22 -3.47 -2.81 0.00 0.00 179.45 173.49 1qn1 n ASP 89 N -2.65 3.76 -2.73 4.20 -0.08 0.28 -4.36 116.55 114.98 1qn1 n ASP 89 Ca -0.02 -3.44 -0.05 0.00 -1.51 0.00 0.00 54.79 49.77 1qn1 n ASP 89 Cb 0.31 -0.71 0.07 0.00 2.34 0.00 0.00 41.12 43.13 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 -0.72 1.37 -2.03 -0.67 5.02 0.51 -4.86 118.16 116.78 1qn1 n LYS 90 Ca 0.40 -2.80 -0.04 0.00 -2.02 0.00 0.00 58.31 53.86 1qn1 n LYS 90 Cb 1.28 -0.91 0.06 0.00 -0.02 0.00 0.00 35.03 35.43 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 -0.54 3.06 0.00 7.82 0.00 -1.24 -4.96 120.51 124.65 1qn1 n ALA 91 Ca 0.02 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.61 1qn1 n ALA 91 Cb 0.83 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 -0.96 0.28 2.71 0.00 0.00 -1.26 -2.09 105.19 103.87 1qn1 n GLY 92 Ca -0.21 0.31 -0.03 0.00 0.00 0.00 0.00 46.02 46.09 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 1.15 -0.61 -4.78 1.61 5.75 -1.26 -5.03 116.55 113.38 1qn1 n ASP 93 Ca 0.00 -2.28 -0.23 0.00 -0.01 0.00 0.00 54.79 52.27 1qn1 n ASP 93 Cb 0.00 0.39 0.09 0.00 -1.03 0.00 0.00 41.12 40.57 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 -1.93 4.61 -0.10 -1.12 2.15 -0.89 -5.06 116.67 114.33 1qn1 s ASP 94 Ca 0.18 -0.38 -0.10 0.00 0.43 0.00 0.00 52.55 52.68 1qn1 s ASP 94 Cb 0.41 -0.11 -0.03 0.00 -0.30 0.00 0.00 42.92 42.89 1qn1 s ASP 94 CO -0.08 -1.67 -0.19 0.29 -0.17 0.00 0.00 175.17 173.35 1qn1 n LYS 95 N -2.67 0.30 -0.04 4.34 5.02 -1.26 -3.54 118.16 120.32 1qn1 n LYS 95 Ca 0.14 0.15 0.22 0.00 -2.02 0.00 0.00 58.31 56.79 1qn1 n LYS 95 Cb 0.61 -1.06 0.69 0.00 -0.02 0.00 0.00 35.03 35.25 1qn1 n LYS 95 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1qn1 h GLU 96 N -0.58 0.01 -0.45 1.97 4.81 -1.99 1.60 114.58 119.96 1qn1 h GLU 96 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1qn1 h GLU 96 Cb 0.55 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1qn1 h GLU 96 CO 0.00 0.01 0.00 -0.11 -0.73 0.00 0.00 179.01 178.18 1qn1 n LEU 97 N -4.36 2.74 -0.02 1.64 0.00 -1.26 -2.90 117.00 112.83 1qn1 n LEU 97 Ca 0.11 -1.31 -0.00 0.00 0.00 0.00 0.00 56.01 54.82 1qn1 n LEU 97 Cb 0.67 -0.30 -0.07 0.00 0.00 0.00 0.00 43.42 43.72 1qn1 n LEU 97 CO 0.37 0.65 -0.70 1.17 0.00 0.00 0.00 177.39 178.88 1qn1 n LYS 98 N 1.00 1.50 -0.09 1.96 3.00 0.52 -4.54 118.16 121.50 1qn1 n LYS 98 Ca 0.18 -0.04 -0.17 0.00 -0.00 0.00 0.00 58.31 58.28 1qn1 n LYS 98 Cb 0.45 -1.22 -0.09 0.00 0.00 0.00 0.00 35.03 34.17 1qn1 n LYS 98 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1qn1 h LYS 99 N 0.00 0.00 -1.20 1.64 1.57 -0.80 -3.34 116.57 114.44 1qn1 h LYS 99 Ca -0.12 0.00 0.35 0.00 -1.87 0.00 0.00 60.65 59.00 1qn1 h LYS 99 Cb 1.01 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.28 1qn1 h LYS 99 CO 0.01 0.75 1.14 -0.22 -0.57 0.00 0.00 179.45 180.55 1qn1 h LYS 100 N -1.00 0.00 -4.50 3.15 3.64 -1.46 -0.99 116.57 115.40 1qn1 h LYS 100 Ca -0.23 0.00 -0.48 0.00 -1.27 0.00 0.00 60.65 58.68 1qn1 h LYS 100 Cb 1.05 0.00 -0.33 0.00 -0.41 0.00 0.00 32.23 32.54 1qn1 h LYS 100 CO -0.14 0.00 -0.80 -0.48 -2.27 0.00 0.00 179.45 175.76 1qn1 s LEU 101 N -7.10 1.63 0.00 5.20 -0.00 -1.25 -1.52 118.68 115.63 1qn1 s LEU 101 Ca -0.04 -0.24 0.00 0.00 -0.00 0.00 0.00 54.13 53.85 1qn1 s LEU 101 Cb 0.18 -0.70 0.00 0.00 -0.00 0.00 0.00 46.19 45.67 1qn1 s LEU 101 CO 0.61 0.03 0.00 0.35 -0.00 0.00 0.00 176.35 177.34 1qn1 n THR 102 N 3.71 0.00 -2.71 5.48 -2.24 -1.25 -4.65 114.28 112.62 1qn1 n THR 102 Ca -0.22 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.14 1qn1 n THR 102 Cb 0.52 -0.23 -0.03 0.00 -2.10 0.00 0.00 70.33 68.49 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 1.44 0.14 3.38 0.00 -0.38 -4.88 107.32 105.02 1qn1 s GLY 103 Ca 0.00 -2.26 -0.25 0.00 0.00 0.00 0.00 44.72 42.21 1qn1 s GLY 103 CO 0.00 2.39 1.30 0.00 0.00 0.00 0.00 173.10 176.79 1qn1 s LYS 105 N -5.45 2.03 0.00 0.00 2.20 -1.26 -4.51 119.74 112.75 1qn1 s LYS 105 Ca -0.10 -1.98 0.00 0.00 -0.36 0.00 0.00 55.97 53.53 1qn1 s LYS 105 Cb 0.10 -3.55 0.00 0.00 -1.51 0.00 0.00 37.83 32.86 1qn1 s LYS 105 CO 0.53 -1.08 0.00 0.41 -0.36 0.00 0.00 175.35 174.85 1qn1 n GLY 106 N 4.30 1.00 3.13 5.54 0.00 -1.16 -4.93 105.19 113.07 1qn1 n GLY 106 Ca 0.01 0.00 -0.10 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 -1.98 0.09 0.55 1.61 1.04 -0.96 -3.11 113.70 110.93 1qn1 s SER 107 Ca 0.00 -0.37 0.50 0.00 0.48 0.00 0.00 55.95 56.56 1qn1 s SER 107 Cb 0.00 0.23 1.71 0.00 0.10 0.00 0.00 66.02 68.06 1qn1 s SER 107 CO 0.00 -0.46 1.54 0.00 0.98 0.00 0.00 173.24 175.30 1qn1 n ALA 108 N 1.02 1.88 -2.80 5.32 0.00 -0.58 -3.89 120.51 121.47 1qn1 n ALA 108 Ca -0.20 0.65 -0.35 0.00 0.00 0.00 0.00 53.44 53.53 1qn1 n ALA 108 Cb 0.57 -1.13 -0.08 0.00 0.00 0.00 0.00 19.45 18.81 1qn1 n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qn1 n HIS 110 N 2.88 -2.80 -3.33 0.00 -0.00 -1.25 -4.68 115.22 106.04 1qn1 n HIS 110 Ca -0.18 1.19 -0.36 0.00 -0.00 0.00 0.00 57.72 58.38 1qn1 n HIS 110 Cb 0.53 -3.02 -0.06 0.00 -0.00 0.00 0.00 29.99 27.45 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 -1.90 4.03 0.00 -0.41 0.04 -1.26 -3.87 135.00 131.64 1qn1 s PRO 111 Ca 0.13 0.55 0.00 0.00 0.04 0.00 0.00 61.00 61.72 1qn1 s PRO 111 Cb -0.03 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 31.54 1qn1 s PRO 111 CO 0.63 0.50 0.00 0.43 0.04 0.00 0.00 177.00 178.59