#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 -4.82 6.55 2.03 -1.26 -5.08 116.55 113.97 1qn1 n ASP 2 Ca 0.00 -0.57 -0.38 0.00 0.52 0.00 0.00 54.79 54.36 1qn1 n ASP 2 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 1qn1 n ASP 2 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1qn1 s VAL 3 N 0.84 4.84 0.28 5.18 1.01 -1.26 -5.03 120.40 126.26 1qn1 s VAL 3 Ca 0.00 1.08 -0.30 0.00 0.00 0.00 0.00 61.98 62.76 1qn1 s VAL 3 Cb 0.00 -3.83 -0.11 0.00 0.00 0.00 0.00 36.38 32.43 1qn1 s VAL 3 CO 0.00 0.55 1.61 -2.16 0.00 0.00 0.00 175.10 175.11 1qn1 s PRO 4 N -1.12 4.12 0.00 2.72 0.04 -1.26 -4.99 135.00 134.50 1qn1 s PRO 4 Ca 0.27 2.58 0.00 0.00 0.04 0.00 0.00 61.00 63.89 1qn1 s PRO 4 Cb -0.18 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1qn1 s PRO 4 CO 0.17 -0.65 0.00 0.00 0.04 0.00 0.00 177.00 176.56 1qn1 n ALA 5 N 2.49 0.00 -2.60 8.56 0.00 -1.26 -4.30 120.51 123.40 1qn1 n ALA 5 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.24 1qn1 n ALA 5 Cb 0.37 0.00 -0.07 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 -2.04 4.25 0.00 0.00 1.01 -1.26 -3.93 116.67 114.70 1qn1 s ASP 6 Ca 0.00 -1.42 0.00 0.00 0.71 0.00 0.00 52.55 51.84 1qn1 s ASP 6 Cb 0.00 0.19 0.00 0.00 1.01 0.00 0.00 42.92 44.12 1qn1 s ASP 6 CO 0.00 -0.79 0.00 0.61 0.21 0.00 0.00 175.17 175.20 1qn1 n GLY 7 N -1.32 0.99 3.64 0.21 0.00 -1.16 -5.03 105.19 102.52 1qn1 n GLY 7 Ca -0.10 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 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 3.63 -0.46 4.61 0.00 -1.09 -4.89 121.76 121.55 1qn1 s ALA 8 Ca 0.00 -0.22 -0.23 0.00 0.00 0.00 0.00 51.96 51.52 1qn1 s ALA 8 Cb 0.00 -3.20 0.03 0.00 0.00 0.00 0.00 23.12 19.95 1qn1 s ALA 8 CO 0.00 -0.86 0.78 0.15 0.00 0.00 0.00 175.76 175.83 1qn1 s LYS 9 N 2.68 3.37 -0.42 0.00 3.01 -1.26 -0.84 119.74 126.27 1qn1 s LYS 9 Ca 0.32 -0.18 -0.20 0.00 -1.01 0.00 0.00 55.97 54.90 1qn1 s LYS 9 Cb -0.15 -3.96 0.02 0.00 -1.01 0.00 0.00 37.83 32.73 1qn1 s LYS 9 CO 0.08 -1.15 0.59 0.42 0.51 0.00 0.00 175.35 175.80 1qn1 s ILE 10 N 3.29 4.90 -0.46 2.17 1.01 0.20 -4.86 121.20 127.44 1qn1 s ILE 10 Ca 0.29 0.06 0.07 0.00 0.00 0.00 0.00 60.65 61.06 1qn1 s ILE 10 Cb -0.13 -4.15 0.24 0.00 0.01 0.00 0.00 42.46 38.44 1qn1 s ILE 10 CO 0.22 -0.52 0.80 -0.67 0.00 0.00 0.00 174.94 174.76 1qn1 n ASP 11 N 6.08 -2.09 0.10 3.58 2.03 -1.26 -1.86 116.55 123.13 1qn1 n ASP 11 Ca -0.03 -3.16 0.12 0.00 0.52 0.00 0.00 54.79 52.25 1qn1 n ASP 11 Cb 0.48 1.19 0.45 0.00 -0.72 0.00 0.00 41.12 42.52 1qn1 n ASP 11 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1qn1 n PHE 12 N 1.56 0.79 -4.06 -0.67 3.72 -1.26 -4.76 117.46 112.77 1qn1 n PHE 12 Ca 0.12 0.26 -0.26 0.00 -0.05 0.00 0.00 57.45 57.53 1qn1 n PHE 12 Cb 0.61 -0.92 -0.05 0.00 -0.94 0.00 0.00 39.48 38.17 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 -3.17 4.64 0.35 4.37 1.01 -1.26 -5.10 121.20 122.04 1qn1 s ILE 13 Ca 0.08 -1.04 0.06 0.00 0.00 0.00 0.00 60.65 59.74 1qn1 s ILE 13 Cb 0.11 -3.39 -0.01 0.00 0.01 0.00 0.00 42.46 39.19 1qn1 s ILE 13 CO 0.50 -0.13 0.50 0.00 0.00 0.00 0.00 174.94 175.80 1qn1 s ALA 14 N -1.79 4.16 0.00 9.38 0.00 -1.26 -4.97 121.76 127.28 1qn1 s ALA 14 Ca 0.32 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.88 1qn1 s ALA 14 Cb -0.10 -1.75 0.00 0.00 0.00 0.00 0.00 23.12 21.27 1qn1 s ALA 14 CO 0.24 -0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.33 1qn1 n GLY 15 N -1.70 3.25 0.00 0.00 0.00 -1.26 -5.04 105.19 100.44 1qn1 n GLY 15 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 2.42 0.00 -0.02 0.00 -1.26 -5.06 105.19 101.27 1qn1 n GLY 16 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 -1.61 1.61 2.13 -1.26 -3.09 120.64 118.42 1qn1 n GLU 17 Ca 0.00 0.74 -0.15 0.00 0.66 0.00 0.00 57.16 58.41 1qn1 n GLU 17 Cb 0.00 -1.24 -0.10 0.00 0.27 0.00 0.00 31.44 30.38 1qn1 n GLU 17 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1qn1 s LYS 18 N -2.00 1.35 0.23 5.31 1.02 -1.26 -4.86 119.74 119.53 1qn1 s LYS 18 Ca 0.00 -0.14 -0.31 0.00 0.02 0.00 0.00 55.97 55.54 1qn1 s LYS 18 Cb 0.00 -4.92 -0.15 0.00 -0.52 0.00 0.00 37.83 32.24 1qn1 s LYS 18 CO 0.00 -5.12 1.14 -1.71 -0.92 0.00 0.00 175.35 168.74 1qn1 n ASN 19 N 19.23 1.55 -4.25 2.83 2.85 -1.18 -4.95 115.26 131.35 1qn1 n ASN 19 Ca 0.43 1.16 -0.35 0.00 -0.11 0.00 0.00 54.58 55.71 1qn1 n ASN 19 Cb 0.46 -1.28 -0.14 0.00 1.24 0.00 0.00 39.78 40.06 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 0.47 3.41 -0.16 1.20 1.43 -1.26 -5.05 118.68 118.72 1qn1 s LEU 20 Ca 0.66 -0.81 -0.16 0.00 -1.03 0.00 0.00 54.13 52.80 1qn1 s LEU 20 Cb -0.76 -1.74 0.04 0.00 0.03 0.00 0.00 46.19 43.77 1qn1 s LEU 20 CO 0.55 -0.15 0.45 -0.89 0.23 0.00 0.00 176.35 176.54 1qn1 s THR 21 N 1.38 0.00 -0.12 5.49 2.01 -1.26 -4.70 115.64 118.44 1qn1 s THR 21 Ca 0.01 -0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.02 1qn1 s THR 21 Cb -0.17 -0.63 0.01 0.00 0.01 0.00 0.00 72.50 71.72 1qn1 s THR 21 CO -0.02 -0.00 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.03 1qn1 s VAL 22 N 0.20 1.72 -0.10 3.82 1.01 -0.78 -4.72 120.40 121.55 1qn1 s VAL 22 Ca -0.00 -0.78 -0.22 0.00 0.00 0.00 0.00 61.98 60.97 1qn1 s VAL 22 Cb -0.03 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1qn1 s VAL 22 CO 0.01 0.49 0.67 -0.69 0.00 0.00 0.00 175.10 175.57 1qn1 s VAL 23 N 0.90 5.05 0.05 2.92 1.01 -1.26 0.60 120.40 129.68 1qn1 s VAL 23 Ca -0.07 1.35 0.09 0.00 0.00 0.00 0.00 61.98 63.34 1qn1 s VAL 23 Cb -0.15 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 1qn1 s VAL 23 CO -0.01 0.22 -0.25 0.12 0.00 0.00 0.00 175.10 175.18 1qn1 s PHE 24 N 1.05 2.22 -0.09 5.22 5.36 -0.02 -4.93 117.98 126.78 1qn1 s PHE 24 Ca 0.34 -0.40 0.01 0.00 -0.96 0.00 0.00 56.93 55.92 1qn1 s PHE 24 Cb -0.17 -1.32 0.02 0.00 -0.34 0.00 0.00 43.02 41.21 1qn1 s PHE 24 CO 0.15 0.13 -0.09 -0.80 -1.46 0.00 0.00 175.22 173.15 1qn1 s ASN 25 N -1.28 1.97 0.17 6.13 -0.87 -1.26 -2.69 114.94 117.11 1qn1 s ASN 25 Ca 0.11 -0.29 -0.07 0.00 -1.57 0.00 0.00 52.86 51.04 1qn1 s ASN 25 Cb -0.10 -0.82 0.04 0.00 -0.02 0.00 0.00 41.25 40.35 1qn1 s ASN 25 CO 0.02 -0.06 1.49 0.45 -2.57 0.00 0.00 177.10 176.43 1qn1 h HIS 26 N 7.69 0.92 -0.83 2.20 3.86 -1.75 -2.89 115.15 124.35 1qn1 h HIS 26 Ca -0.31 -0.30 0.22 0.00 -1.16 0.00 0.00 60.37 58.83 1qn1 h HIS 26 Cb 1.15 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 29.40 1qn1 h HIS 26 CO 0.48 1.08 0.58 0.66 0.86 0.00 0.00 177.93 181.59 1qn1 h SER 27 N 0.59 0.11 -0.37 2.45 4.64 -1.84 1.52 113.55 120.64 1qn1 h SER 27 Ca 0.03 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1qn1 h SER 27 Cb 1.05 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1qn1 h SER 27 CO 0.10 0.04 0.00 0.35 -0.87 0.00 0.00 176.83 176.46 1qn1 n THR 28 N -4.35 1.53 -2.26 2.95 -2.24 -1.09 -3.69 114.28 105.13 1qn1 n THR 28 Ca 0.17 -0.82 -0.02 0.00 -2.27 0.00 0.00 64.05 61.11 1qn1 n THR 28 Cb 0.83 -0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.77 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 0.45 -0.03 0.01 4.78 8.25 0.51 -4.87 115.22 124.31 1qn1 n HIS 29 Ca 0.17 -0.58 0.02 0.00 -0.26 0.00 0.00 57.72 57.07 1qn1 n HIS 29 Cb 0.77 0.23 -0.11 0.00 1.12 0.00 0.00 29.99 32.00 1qn1 n HIS 29 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1qn1 n LYS 30 N 0.16 0.64 -0.01 -0.41 0.00 -0.45 -3.78 118.16 114.31 1qn1 n LYS 30 Ca -0.12 0.07 0.13 0.00 0.00 0.00 0.00 58.31 58.39 1qn1 n LYS 30 Cb 0.91 -1.69 0.72 0.00 0.00 0.00 0.00 35.03 34.96 1qn1 n LYS 30 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1qn1 n ASP 31 N -2.69 0.31 -4.48 3.14 5.75 -1.26 -4.72 116.55 112.60 1qn1 n ASP 31 Ca -0.11 -1.26 -0.33 0.00 -0.01 0.00 0.00 54.79 53.08 1qn1 n ASP 31 Cb 0.79 -0.01 -0.13 0.00 -1.03 0.00 0.00 41.12 40.75 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 -1.98 3.51 -0.24 2.12 1.01 -1.25 -5.05 120.40 118.51 1qn1 s VAL 32 Ca 0.39 -0.52 -0.37 0.00 0.00 0.00 0.00 61.98 61.49 1qn1 s VAL 32 Cb 0.18 -2.48 -0.13 0.00 0.00 0.00 0.00 36.38 33.96 1qn1 s VAL 32 CO 0.30 0.54 1.95 0.29 0.00 0.00 0.00 175.10 178.18 1qn1 n LYS 33 N 3.09 1.46 0.30 2.72 4.01 -1.26 -4.75 118.16 123.73 1qn1 n LYS 33 Ca -0.18 0.50 0.18 0.00 -0.51 0.00 0.00 58.31 58.30 1qn1 n LYS 33 Cb 0.53 -2.41 0.93 0.00 -0.51 0.00 0.00 35.03 33.57 1qn1 n LYS 33 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1qn1 h ASP 35 N 0.00 0.00 0.82 0.00 3.04 -1.86 1.66 116.42 120.08 1qn1 h ASP 35 Ca 0.03 0.00 -0.12 0.00 -3.24 0.00 0.00 57.03 53.70 1qn1 h ASP 35 Cb 0.47 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.75 1qn1 h ASP 35 CO -0.00 0.00 -0.57 -2.24 -2.04 0.00 0.00 179.24 174.38 1qn1 h ASP 36 N 0.00 0.00 0.00 4.15 2.03 0.17 -3.35 116.42 119.42 1qn1 h ASP 36 Ca 0.00 0.00 -0.32 0.00 -0.73 0.00 0.00 57.03 55.98 1qn1 h ASP 36 Cb 0.55 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.00 1qn1 h ASP 36 CO 0.00 0.57 -2.09 0.00 -1.03 0.00 0.00 179.24 176.69 1qn1 s HIS 38 N -2.36 3.42 0.14 0.00 3.76 0.56 -4.98 115.29 115.83 1qn1 s HIS 38 Ca -0.27 1.06 -0.27 0.00 -0.15 0.00 0.00 55.06 55.44 1qn1 s HIS 38 Cb 0.10 -2.85 -0.06 0.00 1.11 0.00 0.00 32.58 30.87 1qn1 s HIS 38 CO 0.37 -0.14 1.43 0.72 -0.85 0.00 0.00 174.74 176.27 1qn1 n HIS 39 N 4.86 -0.38 0.00 1.40 8.25 -1.26 -3.94 115.22 124.15 1qn1 n HIS 39 Ca 0.00 1.08 0.00 0.00 -0.26 0.00 0.00 57.72 58.54 1qn1 n HIS 39 Cb 0.50 -0.57 0.00 0.00 1.12 0.00 0.00 29.99 31.04 1qn1 n HIS 39 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1qn1 n GLN 40 N -4.97 -0.90 -1.67 -0.41 6.02 -1.26 -4.91 117.38 109.29 1qn1 n GLN 40 Ca 0.02 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.61 1qn1 n GLN 40 Cb 0.22 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.52 1qn1 n GLN 40 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1qn1 n PRO 41 N -0.46 1.45 -3.59 -1.09 -0.02 -1.26 -4.55 135.00 125.48 1qn1 n PRO 41 Ca 0.00 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1qn1 n PRO 41 Cb 0.00 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 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 1.00 -0.69 0.08 -1.23 0.00 -1.26 -4.90 105.19 98.20 1qn1 n GLY 42 Ca 0.10 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 0.37 0.61 -1.32 1.61 2.03 -1.26 -3.97 116.55 114.62 1qn1 n ASP 43 Ca 0.00 0.27 -0.04 0.00 0.52 0.00 0.00 54.79 55.54 1qn1 n ASP 43 Cb 0.00 0.55 0.22 0.00 -0.72 0.00 0.00 41.12 41.17 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 -2.77 2.33 0.01 -0.67 5.02 -1.26 -4.75 118.16 116.06 1qn1 n LYS 44 Ca -0.12 -3.07 -0.07 0.00 -2.02 0.00 0.00 58.31 53.03 1qn1 n LYS 44 Cb 0.84 -1.91 -0.04 0.00 -0.02 0.00 0.00 35.03 33.90 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 1.34 -0.26 -0.14 1.97 -0.00 -1.80 -0.32 115.11 115.90 1qn1 h GLN 45 Ca 0.23 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.90 1qn1 h GLN 45 Cb 1.84 0.06 0.00 0.00 0.00 0.00 0.00 27.48 29.38 1qn1 h GLN 45 CO 0.48 -0.17 0.00 0.66 0.00 0.00 0.00 178.83 179.80 1qn1 n TYR 46 N -3.78 0.18 -1.07 3.99 4.01 -1.26 -4.84 117.16 114.39 1qn1 n TYR 46 Ca -0.03 -0.09 -0.35 0.00 -0.16 0.00 0.00 57.90 57.27 1qn1 n TYR 46 Cb 0.17 0.00 0.08 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 -0.10 -2.49 -0.92 -0.72 0.00 -0.13 -4.82 120.51 111.33 1qn1 n ALA 47 Ca 0.07 -0.41 -0.32 0.00 0.00 0.00 0.00 53.44 52.78 1qn1 n ALA 47 Cb 0.14 -1.71 0.03 0.00 0.00 0.00 0.00 19.45 17.90 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 1.89 -3.74 0.13 0.00 0.00 -1.26 -4.91 105.19 97.29 1qn1 n GLY 48 Ca 0.07 -0.56 -0.17 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.20 2.88 -0.67 0.00 -2.24 -1.25 -2.91 114.28 106.90 1qn1 n THR 50 Ca -0.42 -1.77 -0.31 0.00 -2.27 0.00 0.00 64.05 59.28 1qn1 n THR 50 Cb 1.02 -0.35 0.17 0.00 -2.10 0.00 0.00 70.33 69.07 1qn1 n THR 50 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1qn1 n THR 51 N -0.32 0.00 -1.61 4.28 -1.04 -1.26 -3.96 114.28 110.37 1qn1 n THR 51 Ca 0.40 -0.09 -0.41 0.00 -2.04 0.00 0.00 64.05 61.91 1qn1 n THR 51 Cb 1.34 -0.94 0.01 0.00 -1.82 0.00 0.00 70.33 68.92 1qn1 n THR 51 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1qn1 n ASP 52 N -3.88 1.31 -2.99 8.00 -0.08 -1.26 -1.38 116.55 116.28 1qn1 n ASP 52 Ca 0.10 1.03 -0.22 0.00 -1.51 0.00 0.00 54.79 54.19 1qn1 n ASP 52 Cb 0.53 -1.36 0.03 0.00 2.34 0.00 0.00 41.12 42.65 1qn1 n ASP 52 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1qn1 n GLY 53 N 1.17 -0.52 0.00 0.27 0.00 -1.26 -4.91 105.19 99.94 1qn1 n GLY 53 Ca 0.09 0.12 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 2.49 -0.13 0.00 8.25 -1.15 -4.39 115.22 120.30 1qn1 n HIS 55 Ca 0.00 -2.60 -0.27 0.00 -0.26 0.00 0.00 57.72 54.59 1qn1 n HIS 55 Cb 0.00 -1.34 -0.11 0.00 1.12 0.00 0.00 29.99 29.66 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 1.13 1.94 -3.80 0.41 6.94 -1.09 -3.83 115.26 116.96 1qn1 n ASN 56 Ca 0.37 0.32 -0.54 0.00 -0.02 0.00 0.00 54.58 54.71 1qn1 n ASN 56 Cb 0.30 -0.83 -0.09 0.00 -2.36 0.00 0.00 39.78 36.80 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 -4.21 0.00 -1.49 1.53 5.41 -0.92 -4.58 119.36 115.10 1qn1 n ILE 57 Ca -0.48 0.00 -0.27 0.00 1.00 0.00 0.00 62.75 63.01 1qn1 n ILE 57 Cb 0.85 -0.42 0.10 0.00 -0.71 0.00 0.00 39.64 39.45 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 4.66 6.46 -4.70 1.39 4.77 -1.26 -1.34 117.00 126.98 1qn1 n LEU 58 Ca 0.35 -4.24 -0.35 0.00 -0.03 0.00 0.00 56.01 51.74 1qn1 n LEU 58 Cb -0.04 -0.77 -0.09 0.00 -2.33 0.00 0.00 43.42 40.19 1qn1 n LEU 58 CO 0.75 1.54 -0.28 -1.81 -1.33 0.00 0.00 177.39 176.25 1qn1 s ASP 59 N -2.26 5.43 -0.75 -1.43 1.11 -1.26 -5.00 116.67 112.50 1qn1 s ASP 59 Ca 0.58 0.18 -0.03 0.00 0.18 0.00 0.00 52.55 53.47 1qn1 s ASP 59 Cb 0.47 -1.61 0.25 0.00 1.07 0.00 0.00 42.92 43.10 1qn1 s ASP 59 CO 0.02 0.36 2.25 1.17 1.18 0.00 0.00 175.17 180.16 1qn1 n LYS 60 N 2.26 2.86 0.18 8.23 0.00 -1.26 -4.25 118.16 126.18 1qn1 n LYS 60 Ca -0.19 -3.23 0.00 0.00 0.00 0.00 0.00 58.31 54.89 1qn1 n LYS 60 Cb 0.54 -2.25 0.00 0.00 0.00 0.00 0.00 35.03 33.31 1qn1 n LYS 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1qn1 n ALA 61 N -0.02 1.19 -1.62 3.14 0.00 -1.26 -5.08 120.51 116.86 1qn1 n ALA 61 Ca 0.52 0.00 -0.65 0.00 0.00 0.00 0.00 53.44 53.31 1qn1 n ALA 61 Cb 0.33 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.68 1qn1 n ALA 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1qn1 n ASP 62 N -3.38 1.15 0.24 0.00 8.00 -1.26 -4.76 116.55 116.53 1qn1 n ASP 62 Ca 0.00 1.04 0.14 0.00 0.71 0.00 0.00 54.79 56.68 1qn1 n ASP 62 Cb 0.00 -0.90 0.35 0.00 -0.02 0.00 0.00 41.12 40.55 1qn1 n ASP 62 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1qn1 h LYS 63 N 6.21 0.00 -5.59 -1.24 1.79 -1.98 -3.45 116.57 112.32 1qn1 h LYS 63 Ca -0.35 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.58 1qn1 h LYS 63 Cb 1.38 0.00 0.19 0.00 -1.58 0.00 0.00 32.23 32.22 1qn1 h LYS 63 CO 1.01 0.00 -1.34 0.43 -1.08 0.00 0.00 179.45 178.47 1qn1 n SER 64 N -3.08 -4.30 -1.97 0.86 7.64 -1.26 -4.75 113.62 106.75 1qn1 n SER 64 Ca 0.03 0.44 -0.18 0.00 1.01 0.00 0.00 58.87 60.16 1qn1 n SER 64 Cb 0.45 -0.76 0.03 0.00 -1.01 0.00 0.00 64.21 62.92 1qn1 n SER 64 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1qn1 n VAL 65 N -1.77 2.86 -1.95 0.44 3.14 -1.26 -3.65 118.33 116.14 1qn1 n VAL 65 Ca 0.04 -1.83 0.03 0.00 -2.96 0.00 0.00 64.34 59.62 1qn1 n VAL 65 Cb 0.47 -1.37 0.04 0.00 -1.06 0.00 0.00 33.84 31.92 1qn1 n VAL 65 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1qn1 n ASN 66 N 0.40 0.64 -4.59 6.55 4.13 -1.26 -4.84 115.26 116.29 1qn1 n ASN 66 Ca 0.33 -2.25 -0.38 0.00 1.68 0.00 0.00 54.58 53.95 1qn1 n ASN 66 Cb 0.58 -0.27 -0.11 0.00 -1.54 0.00 0.00 39.78 38.44 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 -1.60 6.08 0.19 6.41 0.01 -1.24 -2.16 113.70 121.38 1qn1 s SER 67 Ca 0.14 0.03 -0.12 0.00 1.31 0.00 0.00 55.95 57.31 1qn1 s SER 67 Cb 0.14 -2.14 0.18 0.00 0.21 0.00 0.00 66.02 64.41 1qn1 s SER 67 CO -0.04 -0.09 1.76 -0.25 0.41 0.00 0.00 173.24 175.03 1qn1 h TRP 68 N 8.33 0.39 0.00 2.43 -0.00 -1.34 0.65 115.95 126.42 1qn1 h TRP 68 Ca -0.34 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.57 1qn1 h TRP 68 Cb 1.18 -0.10 0.00 0.00 -0.00 0.00 0.00 29.16 30.24 1qn1 h TRP 68 CO 0.75 0.15 0.00 0.98 -0.00 0.00 0.00 178.44 180.33 1qn1 n TYR 69 N -4.95 0.00 0.39 2.65 4.19 -1.26 -1.49 117.16 116.69 1qn1 n TYR 69 Ca 0.05 0.00 0.08 0.00 3.31 0.00 0.00 57.90 61.35 1qn1 n TYR 69 Cb 0.19 -0.01 0.12 0.00 0.49 0.00 0.00 39.34 40.13 1qn1 n TYR 69 CO 0.00 0.00 0.00 1.17 0.91 0.00 0.00 176.86 178.94 1qn1 n LYS 70 N -1.01 1.80 -0.09 2.98 4.81 0.22 -3.34 118.16 123.53 1qn1 n LYS 70 Ca 0.15 -1.77 0.03 0.00 -0.87 0.00 0.00 58.31 55.85 1qn1 n LYS 70 Cb 0.07 -1.35 0.08 0.00 0.02 0.00 0.00 35.03 33.85 1qn1 n LYS 70 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1qn1 n VAL 71 N 0.97 0.96 0.08 3.15 0.24 -0.56 -4.16 118.33 119.01 1qn1 n VAL 71 Ca 0.12 -0.98 0.00 0.00 -2.04 0.00 0.00 64.34 61.44 1qn1 n VAL 71 Cb 0.45 0.53 0.00 0.00 -1.47 0.00 0.00 33.84 33.35 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 0.05 0.53 1.79 3.34 0.31 -1.23 -4.33 118.33 118.79 1qn1 n VAL 72 Ca 0.06 0.17 0.10 0.00 -0.01 0.00 0.00 64.34 64.66 1qn1 n VAL 72 Cb 0.34 -1.05 0.57 0.00 -0.91 0.00 0.00 33.84 32.78 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 0.00 -0.74 3.52 8.25 -1.21 -1.86 115.22 119.81 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 -0.03 0.00 1.12 0.00 0.00 29.99 31.13 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 -0.83 4.81 -0.52 0.41 2.03 -1.26 -4.58 116.55 116.61 1qn1 n ASP 74 Ca 0.14 -2.29 0.43 0.00 0.52 0.00 0.00 54.79 53.58 1qn1 n ASP 74 Cb 0.07 -1.07 0.73 0.00 -0.72 0.00 0.00 41.12 40.12 1qn1 n ASP 74 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1qn1 h ALA 75 N 5.96 3.20 -0.19 -1.67 0.00 -1.90 1.45 119.26 126.11 1qn1 h ALA 75 Ca 0.45 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.42 1qn1 h ALA 75 Cb 0.27 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1qn1 h ALA 75 CO 1.30 -1.76 0.01 1.57 0.00 0.00 0.00 179.25 180.37 1qn1 h LYS 76 N 0.05 0.08 -1.24 0.00 2.10 -1.96 -3.37 116.57 112.22 1qn1 h LYS 76 Ca 0.83 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.47 1qn1 h LYS 76 Cb 2.96 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 34.27 1qn1 h LYS 76 CO -0.21 0.05 -0.30 0.41 -2.00 0.00 0.00 179.45 177.40 1qn1 n GLY 77 N -1.17 -3.59 0.00 0.07 0.00 0.50 -5.02 105.19 95.97 1qn1 n GLY 77 Ca -0.03 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.82 3.46 0.40 -0.02 0.00 -1.26 -4.94 105.19 102.01 1qn1 n GLY 78 Ca 0.00 -1.53 0.19 0.00 0.00 0.00 0.00 46.02 44.68 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 0.06 2.33 -3.89 4.61 0.00 -2.02 -3.40 119.26 116.94 1qn1 h ALA 79 Ca 0.00 -0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 1qn1 h ALA 79 Cb 0.00 -0.01 -0.26 0.00 0.00 0.00 0.00 17.79 17.52 1qn1 h ALA 79 CO 0.00 -0.55 -0.81 0.15 0.00 0.00 0.00 179.25 178.05 1qn1 s LYS 80 N -5.26 1.06 0.72 0.00 3.01 -1.26 -5.13 119.74 112.87 1qn1 s LYS 80 Ca -0.07 -0.74 -0.16 0.00 -1.01 0.00 0.00 55.97 53.99 1qn1 s LYS 80 Cb 0.21 -1.07 0.02 0.00 -1.01 0.00 0.00 37.83 35.98 1qn1 s LYS 80 CO 0.76 0.27 1.19 -0.35 0.51 0.00 0.00 175.35 177.73 1qn1 n PRO 81 N 2.05 0.66 0.00 -1.68 -0.04 -1.26 -4.86 135.00 129.87 1qn1 n PRO 81 Ca -0.17 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1qn1 n PRO 81 Cb 0.55 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 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 -2.52 0.00 0.00 0.52 -2.24 -1.26 -4.79 114.28 103.98 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 0.49 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 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 1.55 0.00 0.00 2.04 -1.68 -3.06 117.51 116.35 1qn1 h ILE 84 Ca 0.00 -2.88 0.00 0.00 1.00 0.00 0.00 64.86 62.98 1qn1 h ILE 84 Cb 0.00 2.64 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 1qn1 h ILE 84 CO 0.00 0.84 0.00 -1.54 0.00 0.00 0.00 178.15 177.45 1qn1 n SER 85 N -3.57 0.00 -0.24 1.72 3.41 -1.26 0.72 113.62 114.40 1qn1 n SER 85 Ca -0.04 0.69 -0.08 0.00 -0.26 0.00 0.00 58.87 59.18 1qn1 n SER 85 Cb 0.88 -0.19 -0.07 0.00 -0.26 0.00 0.00 64.21 64.56 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 -0.08 -1.55 -0.49 0.00 -0.00 -1.54 1.68 115.15 113.18 1qn1 h HIS 87 Ca 0.10 0.12 0.09 0.00 -0.00 0.00 0.00 60.37 60.68 1qn1 h HIS 87 Cb 0.33 0.81 -0.08 0.00 -0.00 0.00 0.00 27.41 28.47 1qn1 h HIS 87 CO -0.92 -0.39 0.00 -0.22 -0.00 0.00 0.00 177.93 176.41 1qn1 h LYS 88 N -0.02 0.11 0.00 2.45 3.64 0.27 0.71 116.57 123.74 1qn1 h LYS 88 Ca 0.23 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 1qn1 h LYS 88 Cb 0.50 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1qn1 h LYS 88 CO -0.94 0.07 -0.09 0.22 -2.27 0.00 0.00 179.45 176.44 1qn1 h ASP 89 N 0.12 0.00 -2.02 4.20 1.82 0.36 -2.80 116.42 118.10 1qn1 h ASP 89 Ca 0.25 0.00 -0.72 0.00 -0.39 0.00 0.00 57.03 56.17 1qn1 h ASP 89 Cb 0.37 0.00 -0.32 0.00 0.68 0.00 0.00 39.33 40.05 1qn1 h ASP 89 CO -0.41 0.09 0.45 0.29 -1.61 0.00 0.00 179.24 178.05 1qn1 n LYS 90 N -3.40 3.71 -1.59 0.28 4.76 0.51 -4.43 118.16 117.99 1qn1 n LYS 90 Ca -0.01 -4.24 0.01 0.00 -2.87 0.00 0.00 58.31 51.20 1qn1 n LYS 90 Cb 0.26 -2.32 0.01 0.00 -1.84 0.00 0.00 35.03 31.14 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 -0.35 2.67 -0.22 7.82 0.00 -0.91 -4.81 120.51 124.71 1qn1 n ALA 91 Ca 0.46 -2.04 0.00 0.00 0.00 0.00 0.00 53.44 51.86 1qn1 n ALA 91 Cb 0.35 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.12 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 0.21 1.19 2.32 0.00 0.00 -1.26 -2.87 105.19 104.79 1qn1 n GLY 92 Ca -0.01 0.68 -0.02 0.00 0.00 0.00 0.00 46.02 46.67 1qn1 n GLY 92 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1qn1 n ASP 93 N 4.99 -1.14 -4.17 1.61 -0.08 -1.26 -5.03 116.55 111.47 1qn1 n ASP 93 Ca 0.00 -1.94 -0.14 0.00 -1.51 0.00 0.00 54.79 51.20 1qn1 n ASP 93 Cb 0.00 0.53 -0.11 0.00 2.34 0.00 0.00 41.12 43.88 1qn1 n ASP 93 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1qn1 s ASP 94 N -0.89 1.40 0.40 1.67 -1.08 -1.14 -5.03 116.67 112.01 1qn1 s ASP 94 Ca 0.07 -0.79 0.22 0.00 -0.52 0.00 0.00 52.55 51.52 1qn1 s ASP 94 Cb 0.33 0.01 0.60 0.00 -1.46 0.00 0.00 42.92 42.41 1qn1 s ASP 94 CO -0.10 -0.26 1.69 0.11 0.52 0.00 0.00 175.17 177.13 1qn1 h LYS 95 N 3.64 0.00 -0.56 4.34 1.57 -1.96 -2.74 116.57 120.85 1qn1 h LYS 95 Ca -0.37 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.43 1qn1 h LYS 95 Cb 1.19 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.46 1qn1 h LYS 95 CO 0.52 0.24 0.34 0.93 -0.57 0.00 0.00 179.45 180.91 1qn1 h GLU 96 N 0.00 0.65 -0.07 3.15 4.39 -1.95 1.18 114.58 121.92 1qn1 h GLU 96 Ca -0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1qn1 h GLU 96 Cb 0.96 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 1qn1 h GLU 96 CO 0.03 0.43 0.00 -0.11 -1.16 0.00 0.00 179.01 178.20 1qn1 n LEU 97 N -4.76 1.62 -0.10 1.33 0.00 -1.19 -3.61 117.00 110.29 1qn1 n LEU 97 Ca 0.04 -0.59 -0.10 0.00 0.00 0.00 0.00 56.01 55.36 1qn1 n LEU 97 Cb 0.07 -0.04 -0.15 0.00 0.00 0.00 0.00 43.42 43.30 1qn1 n LEU 97 CO 0.33 0.30 -1.14 1.17 0.00 0.00 0.00 177.39 178.04 1qn1 n LYS 98 N 0.27 0.80 0.08 1.96 3.00 -0.10 -4.27 118.16 119.90 1qn1 n LYS 98 Ca 0.18 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.31 58.46 1qn1 n LYS 98 Cb 0.36 -1.50 0.22 0.00 0.00 0.00 0.00 35.03 34.11 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 0.29 -2.94 1.64 1.57 0.13 -2.13 116.57 115.12 1qn1 h LYS 99 Ca -0.53 -0.13 -0.68 0.00 -1.87 0.00 0.00 60.65 57.44 1qn1 h LYS 99 Cb 2.21 -0.01 -0.37 0.00 0.08 0.00 0.00 32.23 34.14 1qn1 h LYS 99 CO 0.03 0.63 -0.18 1.17 -0.57 0.00 0.00 179.45 180.53 1qn1 n LYS 100 N -4.06 2.73 0.00 3.15 4.81 -1.25 -3.61 118.16 119.93 1qn1 n LYS 100 Ca -0.01 -4.54 0.00 0.00 -0.87 0.00 0.00 58.31 52.88 1qn1 n LYS 100 Cb 0.46 -2.37 0.00 0.00 0.02 0.00 0.00 35.03 33.14 1qn1 n LYS 100 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1qn1 n LEU 101 N 1.74 0.00 0.00 3.14 7.94 -1.24 -4.86 117.00 123.72 1qn1 n LEU 101 Ca 0.24 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.14 1qn1 n LEU 101 Cb 0.37 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.32 1qn1 n LEU 101 CO 0.41 0.00 -0.33 0.35 -1.11 0.00 0.00 177.39 176.71 1qn1 n THR 102 N 0.00 0.00 -0.91 1.96 -2.24 -1.07 -4.81 114.28 107.21 1qn1 n THR 102 Ca 0.00 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.45 1qn1 n THR 102 Cb 0.00 -0.53 0.04 0.00 -2.10 0.00 0.00 70.33 67.73 1qn1 n THR 102 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qn1 n GLY 103 N 2.75 -4.23 0.08 3.38 0.00 -0.82 -4.98 105.19 101.37 1qn1 n GLY 103 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.30 2.80 0.00 0.00 2.20 -1.24 -2.17 119.74 121.03 1qn1 s LYS 105 Ca 0.00 -0.27 0.00 0.00 -0.36 0.00 0.00 55.97 55.34 1qn1 s LYS 105 Cb 0.00 -4.93 0.00 0.00 -1.51 0.00 0.00 37.83 31.39 1qn1 s LYS 105 CO 0.00 -2.96 0.00 0.41 -0.36 0.00 0.00 175.35 172.44 1qn1 n GLY 106 N 6.55 1.68 3.24 5.54 0.00 -1.25 -4.97 105.19 115.98 1qn1 n GLY 106 Ca 0.33 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.21 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 1.59 0.60 1.61 1.04 -0.92 -4.45 113.70 111.17 1qn1 s SER 107 Ca 0.00 -1.06 0.28 0.00 0.48 0.00 0.00 55.95 55.65 1qn1 s SER 107 Cb 0.00 0.03 1.23 0.00 0.10 0.00 0.00 66.02 67.38 1qn1 s SER 107 CO 0.00 -0.41 1.63 0.00 0.98 0.00 0.00 173.24 175.44 1qn1 h ALA 108 N 2.77 2.49 -4.04 5.32 0.00 -1.85 -3.36 119.26 120.59 1qn1 h ALA 108 Ca -0.37 -0.02 -0.69 0.00 0.00 0.00 0.00 54.91 53.83 1qn1 h ALA 108 Cb 1.19 0.05 -0.23 0.00 0.00 0.00 0.00 17.79 18.80 1qn1 h ALA 108 CO 0.64 -1.16 -0.79 0.00 0.00 0.00 0.00 179.25 177.94 1qn1 n HIS 110 N 2.04 -2.75 -3.21 0.00 -0.00 -1.26 -4.52 115.22 105.52 1qn1 n HIS 110 Ca -0.17 1.04 -0.37 0.00 -0.00 0.00 0.00 57.72 58.23 1qn1 n HIS 110 Cb 0.52 -3.85 -0.06 0.00 -0.00 0.00 0.00 29.99 26.60 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 -3.54 4.19 0.00 -0.41 0.04 -1.26 -3.71 135.00 130.31 1qn1 s PRO 111 Ca 0.04 0.75 0.00 0.00 0.04 0.00 0.00 61.00 61.84 1qn1 s PRO 111 Cb -0.01 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.48 1qn1 s PRO 111 CO 0.78 0.52 0.00 0.45 0.04 0.00 0.00 177.00 178.79