#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qxf s HIS 2 N 0.00 3.71 0.91 2.03 0.09 -1.26 -5.04 115.29 115.73 1qxf s HIS 2 Ca 0.00 0.94 -0.16 0.00 -0.00 0.00 0.00 55.06 55.84 1qxf s HIS 2 Cb 0.00 -2.26 -0.10 0.00 -0.00 0.00 0.00 32.58 30.22 1qxf s HIS 2 CO 0.00 0.64 -0.34 0.43 -0.00 0.00 0.00 174.74 175.47 1qxf n SER 3 N 1.91 -4.45 -4.97 1.40 7.64 -1.26 -4.98 113.62 108.90 1qxf n SER 3 Ca -0.14 0.30 -0.18 0.00 1.01 0.00 0.00 58.87 59.85 1qxf n SER 3 Cb 0.53 -0.91 -0.00 0.00 -1.01 0.00 0.00 64.21 62.81 1qxf n SER 3 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1qxf s ARG 4 N -2.36 2.76 -0.11 1.43 0.52 -1.26 -4.95 118.95 114.98 1qxf s ARG 4 Ca 0.48 -1.31 -0.05 0.00 -0.52 0.00 0.00 55.73 54.32 1qxf s ARG 4 Cb -0.23 -2.65 -0.04 0.00 0.52 0.00 0.00 34.95 32.55 1qxf s ARG 4 CO 0.75 -0.23 0.09 -0.59 0.02 0.00 0.00 175.30 175.34 1qxf s PHE 5 N -2.38 3.43 -0.07 -0.53 -0.12 -1.26 -3.91 117.98 113.14 1qxf s PHE 5 Ca 0.53 0.39 -0.03 0.00 -0.05 0.00 0.00 56.93 57.76 1qxf s PHE 5 Cb -0.08 -1.90 0.04 0.00 -0.63 0.00 0.00 43.02 40.45 1qxf s PHE 5 CO 0.31 0.61 0.16 0.14 -0.05 0.00 0.00 175.22 176.40 1qxf s VAL 6 N -0.88 -0.05 -0.26 -2.49 -7.23 -1.18 -3.98 120.40 104.33 1qxf s VAL 6 Ca 0.14 0.18 -0.16 0.00 -1.81 0.00 0.00 61.98 60.32 1qxf s VAL 6 Cb -0.12 -0.26 -0.03 0.00 0.56 0.00 0.00 36.38 36.52 1qxf s VAL 6 CO 0.03 0.07 0.42 -0.75 -0.31 0.00 0.00 175.10 174.57 1qxf s LYS 7 N 1.19 4.05 0.35 4.82 2.20 -0.21 -2.30 119.74 129.84 1qxf s LYS 7 Ca -0.09 0.15 0.08 0.00 -0.36 0.00 0.00 55.97 55.75 1qxf s LYS 7 Cb -0.11 -3.64 -0.07 0.00 -1.51 0.00 0.00 37.83 32.50 1qxf s LYS 7 CO -0.06 -0.28 -0.05 0.14 -0.36 0.00 0.00 175.35 174.74 1qxf s VAL 8 N 2.07 1.98 -0.02 4.02 -7.23 0.29 -1.81 120.40 119.70 1qxf s VAL 8 Ca 0.17 -2.12 0.01 0.00 -1.81 0.00 0.00 61.98 58.23 1qxf s VAL 8 Cb -0.16 -2.70 0.01 0.00 0.56 0.00 0.00 36.38 34.09 1qxf s VAL 8 CO 0.09 -0.16 -0.04 -0.75 -0.31 0.00 0.00 175.10 173.94 1qxf s LYS 9 N -3.68 0.53 0.09 4.82 2.20 -0.75 0.21 119.74 123.16 1qxf s LYS 9 Ca 0.33 -0.12 -0.31 0.00 -0.36 0.00 0.00 55.97 55.51 1qxf s LYS 9 Cb 0.05 -0.56 -0.07 0.00 -1.51 0.00 0.00 37.83 35.74 1qxf s LYS 9 CO 0.16 0.02 1.32 0.00 -0.36 0.00 0.00 175.35 176.48 1qxf h PRO 11 N 6.85 0.44 0.19 0.00 0.13 -1.89 1.80 132.00 139.52 1qxf h PRO 11 Ca -0.42 -0.43 -0.32 0.00 -0.87 0.00 0.00 66.00 63.96 1qxf h PRO 11 Cb 1.21 0.11 0.02 0.00 0.13 0.00 0.00 31.00 32.47 1qxf h PRO 11 CO 0.85 1.08 -1.55 -0.44 -0.23 0.00 0.00 178.00 177.70 1qxf h ASP 12 N 0.26 0.64 0.86 1.44 3.32 -1.97 -3.32 116.42 117.66 1qxf h ASP 12 Ca -0.06 -0.92 -0.21 0.00 0.02 0.00 0.00 57.03 55.85 1qxf h ASP 12 Cb 1.49 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.81 1qxf h ASP 12 CO 0.15 1.71 -0.97 0.00 -1.72 0.00 0.00 179.24 178.41 1qxf n GLU 14 N -3.46 -0.90 -3.76 0.00 1.02 0.61 -4.96 120.64 109.20 1qxf n GLU 14 Ca -0.02 0.22 -0.30 0.00 -0.02 0.00 0.00 57.16 57.04 1qxf n GLU 14 Cb 0.90 -4.02 -0.04 0.00 -0.02 0.00 0.00 31.44 28.26 1qxf n GLU 14 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1qxf s HIS 15 N -1.62 3.49 0.03 -0.32 2.46 -1.17 -4.79 115.29 113.38 1qxf s HIS 15 Ca 0.00 0.42 -0.18 0.00 0.47 0.00 0.00 55.06 55.76 1qxf s HIS 15 Cb 0.00 -1.90 -0.06 0.00 -0.13 0.00 0.00 32.58 30.49 1qxf s HIS 15 CO 0.00 0.47 0.53 -1.21 -2.47 0.00 0.00 174.74 172.06 1qxf s GLU 16 N -2.75 4.17 0.08 2.88 2.02 -1.26 0.87 118.70 124.71 1qxf s GLU 16 Ca 0.39 0.65 -0.05 0.00 0.02 0.00 0.00 54.97 55.98 1qxf s GLU 16 Cb -0.12 -3.27 -0.02 0.00 0.10 0.00 0.00 34.13 30.82 1qxf s GLU 16 CO 0.26 0.57 0.08 -0.65 0.02 0.00 0.00 175.26 175.55 1qxf s GLN 17 N -0.83 0.75 -0.22 1.61 -1.52 0.55 -4.93 119.66 115.07 1qxf s GLN 17 Ca 0.28 -1.12 0.02 0.00 -1.95 0.00 0.00 55.36 52.58 1qxf s GLN 17 Cb -0.18 0.28 0.04 0.00 -0.22 0.00 0.00 33.01 32.92 1qxf s GLN 17 CO 0.17 -0.20 -0.13 0.08 -0.25 0.00 0.00 175.29 174.96 1qxf s VAL 18 N -3.91 1.94 0.31 1.09 1.01 -1.26 0.11 120.40 119.69 1qxf s VAL 18 Ca 0.08 -1.24 0.06 0.00 0.00 0.00 0.00 61.98 60.89 1qxf s VAL 18 Cb 0.06 -1.97 -0.06 0.00 0.00 0.00 0.00 36.38 34.41 1qxf s VAL 18 CO -0.09 0.18 -0.03 0.27 0.00 0.00 0.00 175.10 175.43 1qxf s ILE 19 N 1.26 1.66 0.19 2.22 -4.36 -0.97 -4.98 121.20 116.21 1qxf s ILE 19 Ca -0.03 -2.09 -0.05 0.00 -0.26 0.00 0.00 60.65 58.22 1qxf s ILE 19 Cb -0.17 -2.60 -0.06 0.00 1.25 0.00 0.00 42.46 40.88 1qxf s ILE 19 CO -0.08 -0.20 0.44 -0.36 0.24 0.00 0.00 174.94 174.98 1qxf s PHE 20 N -2.99 3.47 -0.13 1.37 0.08 -1.26 -3.11 117.98 115.40 1qxf s PHE 20 Ca 0.32 0.60 -0.28 0.00 0.12 0.00 0.00 56.93 57.69 1qxf s PHE 20 Cb 0.05 -2.05 -0.01 0.00 -0.57 0.00 0.00 43.02 40.44 1qxf s PHE 20 CO 0.14 0.36 0.94 0.16 -0.10 0.00 0.00 175.22 176.71 1qxf s ASP 21 N -2.61 7.14 -0.54 1.36 -4.77 -1.25 -3.95 116.67 112.04 1qxf s ASP 21 Ca 0.42 1.40 -0.02 0.00 -3.30 0.00 0.00 52.55 51.05 1qxf s ASP 21 Cb -0.12 -2.52 -0.02 0.00 -1.09 0.00 0.00 42.92 39.17 1qxf s ASP 21 CO 0.25 -0.42 0.49 1.57 0.70 0.00 0.00 175.17 177.76 1qxf n HIS 22 N 5.07 -1.59 0.12 2.11 -0.00 -1.26 -4.79 115.22 114.88 1qxf n HIS 22 Ca 0.07 0.58 -0.02 0.00 -0.00 0.00 0.00 57.72 58.35 1qxf n HIS 22 Cb 0.49 -3.29 0.10 0.00 -0.00 0.00 0.00 29.99 27.28 1qxf n HIS 22 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1qxf h PRO 23 N -0.26 0.00 0.00 1.57 0.13 -1.90 -3.45 132.00 128.09 1qxf h PRO 23 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1qxf h PRO 23 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1qxf h PRO 23 CO 0.23 0.69 0.00 0.45 -0.23 0.00 0.00 178.00 179.14 1qxf n SER 24 N -3.60 0.00 -4.87 1.44 2.88 -1.26 -4.97 113.62 103.24 1qxf n SER 24 Ca -0.01 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.32 1qxf n SER 24 Cb 0.70 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.13 1qxf n SER 24 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1qxf s THR 25 N -0.97 4.51 0.34 2.46 -4.23 -1.26 -4.72 115.64 111.77 1qxf s THR 25 Ca 0.00 -1.29 -0.29 0.00 -1.18 0.00 0.00 61.69 58.93 1qxf s THR 25 Cb 0.00 -3.48 -0.10 0.00 1.34 0.00 0.00 72.50 70.26 1qxf s THR 25 CO 0.00 -0.32 1.36 -0.63 -0.54 0.00 0.00 174.62 174.49 1qxf s ILE 26 N -2.12 2.55 -0.28 2.99 1.01 -1.26 -4.60 121.20 119.48 1qxf s ILE 26 Ca 0.34 0.54 -0.05 0.00 0.00 0.00 0.00 60.65 61.48 1qxf s ILE 26 Cb -0.08 -3.35 0.01 0.00 0.01 0.00 0.00 42.46 39.06 1qxf s ILE 26 CO 0.26 0.13 0.05 -0.69 0.00 0.00 0.00 174.94 174.68 1qxf s VAL 27 N -1.05 3.68 -0.13 2.92 1.01 -0.95 -5.05 120.40 120.83 1qxf s VAL 27 Ca 0.51 -0.79 -0.06 0.00 0.00 0.00 0.00 61.98 61.64 1qxf s VAL 27 Cb -0.42 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1qxf s VAL 27 CO 0.55 0.10 0.08 -0.54 0.00 0.00 0.00 175.10 175.28 1qxf s LYS 28 N 1.45 3.45 0.27 2.72 1.02 -1.26 -1.11 119.74 126.28 1qxf s LYS 28 Ca 0.02 -0.27 -0.29 0.00 0.02 0.00 0.00 55.97 55.44 1qxf s LYS 28 Cb -0.17 -3.08 -0.14 0.00 -0.52 0.00 0.00 37.83 33.92 1qxf s LYS 28 CO 0.01 0.62 1.10 0.00 -0.92 0.00 0.00 175.35 176.16 1qxf n ILE 30 N 0.63 0.25 0.00 0.00 -5.35 -1.26 -2.30 119.36 111.33 1qxf n ILE 30 Ca 0.10 0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.65 1qxf n ILE 30 Cb 0.31 -0.63 0.00 0.00 -1.74 0.00 0.00 39.64 37.58 1qxf n ILE 30 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1qxf n ILE 31 N -1.50 0.00 -0.07 7.28 2.08 -1.26 -4.82 119.36 121.06 1qxf n ILE 31 Ca 0.06 0.00 -0.10 0.00 0.56 0.00 0.00 62.75 63.27 1qxf n ILE 31 Cb 0.30 -0.11 -0.06 0.00 -0.75 0.00 0.00 39.64 39.01 1qxf n ILE 31 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1qxf n GLY 33 N 1.60 0.68 3.87 0.00 0.00 -0.97 -4.95 105.19 105.42 1qxf n GLY 33 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 1qxf n GLY 33 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1qxf s ARG 34 N 0.00 3.81 0.08 1.61 1.70 -1.26 -4.32 118.95 120.58 1qxf s ARG 34 Ca 0.00 0.30 -0.31 0.00 -0.47 0.00 0.00 55.73 55.26 1qxf s ARG 34 Cb 0.00 -2.62 -0.09 0.00 -0.57 0.00 0.00 34.95 31.67 1qxf s ARG 34 CO 0.00 0.29 1.72 0.99 -1.08 0.00 0.00 175.30 177.22 1qxf s THR 35 N -1.85 2.90 -0.03 4.99 2.01 -1.26 0.18 115.64 122.58 1qxf s THR 35 Ca 0.48 0.34 0.08 0.00 0.31 0.00 0.00 61.69 62.90 1qxf s THR 35 Cb -0.11 -3.22 -0.12 0.00 0.01 0.00 0.00 72.50 69.06 1qxf s THR 35 CO 0.21 -0.00 0.14 1.33 -0.69 0.00 0.00 174.62 175.61 1qxf n VAL 36 N 4.79 0.14 -3.71 3.82 0.24 -0.27 -4.87 118.33 118.47 1qxf n VAL 36 Ca 0.17 -0.23 -0.12 0.00 -2.04 0.00 0.00 64.34 62.11 1qxf n VAL 36 Cb 0.40 0.02 -0.10 0.00 -1.47 0.00 0.00 33.84 32.70 1qxf n VAL 36 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qxf s ALA 37 N -2.48 -1.13 -0.03 2.33 0.00 -1.22 -0.06 121.76 119.17 1qxf s ALA 37 Ca -0.03 1.37 0.06 0.00 0.00 0.00 0.00 51.96 53.36 1qxf s ALA 37 Cb 0.05 -0.81 -0.01 0.00 0.00 0.00 0.00 23.12 22.34 1qxf s ALA 37 CO 0.34 -0.23 -0.21 -2.00 0.00 0.00 0.00 175.76 173.66 1qxf s GLU 38 N 0.56 1.90 0.08 0.00 2.12 -0.89 -2.25 118.70 120.23 1qxf s GLU 38 Ca -0.03 -0.76 -0.30 0.00 0.36 0.00 0.00 54.97 54.24 1qxf s GLU 38 Cb -0.04 -1.74 -0.06 0.00 0.26 0.00 0.00 34.13 32.54 1qxf s GLU 38 CO -0.03 0.40 1.15 -1.25 -0.54 0.00 0.00 175.26 174.99 1qxf s PRO 39 N -0.32 4.48 -0.38 4.30 0.04 -1.26 -2.11 135.00 139.74 1qxf s PRO 39 Ca 0.03 1.73 0.04 0.00 0.04 0.00 0.00 61.00 62.84 1qxf s PRO 39 Cb -0.10 -3.34 0.11 0.00 0.04 0.00 0.00 34.50 31.21 1qxf s PRO 39 CO 0.01 -0.16 0.11 -0.08 0.04 0.00 0.00 177.00 176.92 1qxf s THR 40 N 0.73 2.24 0.00 1.26 -1.32 -1.26 -4.94 115.64 112.35 1qxf s THR 40 Ca 0.56 -2.53 0.00 0.00 -1.21 0.00 0.00 61.69 58.51 1qxf s THR 40 Cb -0.29 -2.63 0.00 0.00 -1.51 0.00 0.00 72.50 68.07 1qxf s THR 40 CO 0.31 -0.66 0.00 0.61 -2.21 0.00 0.00 174.62 172.67 1qxf n GLY 41 N 4.00 0.82 2.73 6.08 0.00 -1.26 -1.88 105.19 115.68 1qxf n GLY 41 Ca 0.04 0.54 -0.03 0.00 0.00 0.00 0.00 46.02 46.57 1qxf n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qxf n GLY 42 N 0.00 1.81 2.74 -0.02 0.00 -1.26 -4.97 105.19 103.49 1qxf n GLY 42 Ca 0.00 -0.60 -0.08 0.00 0.00 0.00 0.00 46.02 45.35 1qxf n GLY 42 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1qxf n LYS 43 N -0.95 0.76 -1.24 1.61 2.85 -0.79 -5.08 118.16 115.33 1qxf n LYS 43 Ca -0.04 -1.67 -0.44 0.00 -1.05 0.00 0.00 58.31 55.10 1qxf n LYS 43 Cb 0.84 -1.30 -0.03 0.00 -0.65 0.00 0.00 35.03 33.89 1qxf n LYS 43 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1qxf n GLY 44 N 1.44 -1.27 3.20 2.58 0.00 -1.26 -4.28 105.19 105.60 1qxf n GLY 44 Ca 0.08 0.37 -0.29 0.00 0.00 0.00 0.00 46.02 46.18 1qxf n GLY 44 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qxf s ASN 45 N -0.70 2.64 -0.24 1.61 3.84 -0.90 -4.00 114.94 117.20 1qxf s ASN 45 Ca 0.61 -0.44 -0.27 0.00 0.21 0.00 0.00 52.86 52.96 1qxf s ASN 45 Cb -0.87 -0.81 0.00 0.00 -0.55 0.00 0.00 41.25 39.02 1qxf s ASN 45 CO 0.49 0.19 0.96 -0.63 -2.79 0.00 0.00 177.10 175.32 1qxf s ILE 46 N 0.02 4.73 -0.53 -5.21 1.09 -1.26 -2.09 121.20 117.94 1qxf s ILE 46 Ca -0.06 1.83 -0.02 0.00 -1.10 0.00 0.00 60.65 61.30 1qxf s ILE 46 Cb -0.13 -4.24 0.31 0.00 -1.06 0.00 0.00 42.46 37.33 1qxf s ILE 46 CO 0.04 -0.16 2.11 0.29 -0.10 0.00 0.00 174.94 177.11 1qxf n LYS 47 N 6.24 2.33 -4.04 2.79 5.02 0.92 -4.88 118.16 126.54 1qxf n LYS 47 Ca 0.10 -2.56 -0.10 0.00 -2.02 0.00 0.00 58.31 53.72 1qxf n LYS 47 Cb 0.47 -2.02 -0.08 0.00 -0.02 0.00 0.00 35.03 33.38 1qxf n LYS 47 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qxf s ALA 48 N -2.88 0.33 -0.40 7.82 0.00 -1.20 -4.80 121.76 120.64 1qxf s ALA 48 Ca 0.50 -1.12 -0.29 0.00 0.00 0.00 0.00 51.96 51.06 1qxf s ALA 48 Cb 0.39 0.92 0.00 0.00 0.00 0.00 0.00 23.12 24.43 1qxf s ALA 48 CO -0.07 -0.61 1.51 -2.00 0.00 0.00 0.00 175.76 174.59 1qxf s GLU 49 N -4.01 3.50 0.32 0.00 2.12 -1.08 -4.86 118.70 114.68 1qxf s GLU 49 Ca 0.21 1.04 -0.27 0.00 0.36 0.00 0.00 54.97 56.31 1qxf s GLU 49 Cb 0.05 -4.07 -0.09 0.00 0.26 0.00 0.00 34.13 30.27 1qxf s GLU 49 CO 0.02 -1.66 1.01 0.42 -0.54 0.00 0.00 175.26 174.52 1qxf s ILE 50 N 5.83 3.86 -0.01 -3.70 1.01 -1.26 -1.81 121.20 125.11 1qxf s ILE 50 Ca 0.66 1.65 -0.01 0.00 0.00 0.00 0.00 60.65 62.95 1qxf s ILE 50 Cb -0.16 -3.96 -0.00 0.00 0.01 0.00 0.00 42.46 38.35 1qxf s ILE 50 CO 0.33 0.23 -0.01 -0.38 0.00 0.00 0.00 174.94 175.10 1qxf n ILE 51 N 0.73 0.05 -3.86 2.92 -0.00 -0.75 -4.94 119.36 113.51 1qxf n ILE 51 Ca 0.01 0.48 0.01 0.00 -0.00 0.00 0.00 62.75 63.24 1qxf n ILE 51 Cb 0.48 -1.52 0.01 0.00 -0.00 0.00 0.00 39.64 38.61 1qxf n ILE 51 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76 1qxf n GLU 52 N -2.57 0.17 -2.36 0.38 2.13 -1.20 -5.05 120.64 112.15 1qxf n GLU 52 Ca -0.00 -0.52 -0.38 0.00 0.66 0.00 0.00 57.16 56.91 1qxf n GLU 52 Cb 0.02 0.79 -0.03 0.00 0.27 0.00 0.00 31.44 32.49 1qxf n GLU 52 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1qxf s TYR 53 N -2.95 3.19 0.46 4.31 1.51 -1.26 -1.04 117.35 121.56 1qxf s TYR 53 Ca 0.15 1.59 0.00 0.00 -1.01 0.00 0.00 57.07 57.80 1qxf s TYR 53 Cb -0.01 -3.35 0.00 0.00 -0.11 0.00 0.00 41.96 38.50 1qxf s TYR 53 CO 0.01 -1.10 0.69 0.08 -1.11 0.00 0.00 175.55 174.11 1qxf s VAL 54 N -1.40 3.86 -0.69 0.71 1.01 -1.26 -4.78 120.40 117.86 1qxf s VAL 54 Ca 0.55 -0.50 0.23 0.00 0.00 0.00 0.00 61.98 62.26 1qxf s VAL 54 Cb -0.30 -3.43 -0.11 0.00 0.00 0.00 0.00 36.38 32.54 1qxf s VAL 54 CO 0.38 -0.31 1.06 0.47 0.00 0.00 0.00 175.10 176.70 1qxf n ASP 55 N -2.12 0.63 -4.56 3.32 9.92 -1.26 -4.74 116.55 117.74 1qxf n ASP 55 Ca 0.02 -0.29 -0.34 0.00 -0.53 0.00 0.00 54.79 53.65 1qxf n ASP 55 Cb 0.58 0.75 -0.04 0.00 -0.64 0.00 0.00 41.12 41.77 1qxf n ASP 55 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1qxf s GLN 56 N -3.15 3.11 0.80 -1.24 -0.21 -1.26 -4.96 119.66 112.74 1qxf s GLN 56 Ca 0.05 -0.73 -0.11 0.00 0.02 0.00 0.00 55.36 54.59 1qxf s GLN 56 Cb 0.15 -5.22 0.09 0.00 1.00 0.00 0.00 33.01 29.03 1qxf s GLN 56 CO 0.80 -2.75 1.16 0.42 -2.12 0.00 0.00 175.29 172.79 1qxf s ILE 57 N 7.36 2.05 -2.00 1.08 1.01 -1.26 -4.84 121.20 124.60 1qxf s ILE 57 Ca 0.57 -0.05 0.30 0.00 0.00 0.00 0.00 60.65 61.47 1qxf s ILE 57 Cb -0.03 -3.00 0.87 0.00 0.01 0.00 0.00 42.46 40.31 1qxf s ILE 57 CO -0.06 0.00 2.15 1.21 0.00 0.00 0.00 174.94 178.24