#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lxf n ASP 2 N 0.00 0.00 -0.26 7.83 -0.08 -1.26 -4.98 116.55 117.79 1lxf n ASP 2 Ca 0.00 0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.35 1lxf n ASP 2 Cb 0.00 0.00 0.20 0.00 2.34 0.00 0.00 41.12 43.66 1lxf n ASP 2 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 1lxf h ASP 3 N 0.00 -0.15 -1.54 1.67 3.58 -2.07 0.54 116.42 118.45 1lxf h ASP 3 Ca 0.00 0.18 0.46 0.00 0.42 0.00 0.00 57.03 58.09 1lxf h ASP 3 Cb 0.00 0.28 -0.09 0.00 1.72 0.00 0.00 39.33 41.24 1lxf h ASP 3 CO 0.00 -0.13 1.08 0.16 -2.88 0.00 0.00 179.24 177.47 1lxf h ILE 4 N 0.18 0.16 0.00 2.25 3.07 -2.03 2.10 117.51 123.25 1lxf h ILE 4 Ca 0.45 -0.02 -0.21 0.00 1.55 0.00 0.00 64.86 66.64 1lxf h ILE 4 Cb 0.82 0.11 -0.03 0.00 -0.27 0.00 0.00 36.82 37.45 1lxf h ILE 4 CO -0.62 0.01 -1.23 1.88 -1.05 0.00 0.00 178.15 177.14 1lxf h TYR 5 N 0.04 0.00 -0.84 0.16 -1.99 -0.33 -3.34 116.97 110.68 1lxf h TYR 5 Ca 0.80 0.00 0.13 0.00 2.00 0.00 0.00 58.73 61.66 1lxf h TYR 5 Cb 2.94 0.00 -0.09 0.00 2.00 0.00 0.00 36.73 41.58 1lxf h TYR 5 CO -0.00 0.81 0.45 0.87 -0.00 0.00 0.00 178.16 180.29 1lxf h LYS 6 N 0.00 0.65 -0.47 4.88 1.79 0.38 2.16 116.57 125.96 1lxf h LYS 6 Ca -0.13 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.27 1lxf h LYS 6 Cb 1.73 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 32.21 1lxf h LYS 6 CO 0.08 0.43 0.17 0.00 -1.08 0.00 0.00 179.45 179.06 1lxf h ALA 7 N 1.52 1.42 0.00 3.86 0.00 -1.62 2.11 119.26 126.56 1lxf h ALA 7 Ca 0.44 -0.14 -0.24 0.00 0.00 0.00 0.00 54.91 54.98 1lxf h ALA 7 Cb 0.56 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1lxf h ALA 7 CO -0.33 0.43 -1.23 0.00 0.00 0.00 0.00 179.25 178.12 1lxf h ALA 8 N 1.52 0.50 0.00 0.00 0.00 -0.85 -3.00 119.26 117.43 1lxf h ALA 8 Ca 0.16 -1.09 -0.03 0.00 0.00 0.00 0.00 54.91 53.95 1lxf h ALA 8 Cb 0.16 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1lxf h ALA 8 CO -0.01 1.36 -0.28 0.28 0.00 0.00 0.00 179.25 180.60 1lxf h VAL 9 N 0.00 0.22 0.00 0.00 2.07 0.41 -3.09 116.25 115.86 1lxf h VAL 9 Ca -0.10 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.09 1lxf h VAL 9 Cb 1.85 2.05 -0.00 0.00 -1.52 0.00 0.00 31.29 33.66 1lxf h VAL 9 CO 0.11 0.12 -0.18 -0.33 0.02 0.00 0.00 177.57 177.32 1lxf h GLU 10 N 0.00 0.00 0.57 1.57 4.39 0.34 -3.32 114.58 118.13 1lxf h GLU 10 Ca -0.01 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1lxf h GLU 10 Cb 1.11 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.77 1lxf h GLU 10 CO 0.02 0.06 -0.27 1.96 -1.16 0.00 0.00 179.01 179.61 1lxf h GLN 11 N 0.00 -0.74 -6.02 2.33 1.08 -1.44 -3.43 115.11 106.90 1lxf h GLN 11 Ca -0.00 0.05 -0.77 0.00 -1.45 0.00 0.00 58.65 56.47 1lxf h GLN 11 Cb 1.05 0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 28.63 1lxf h GLN 11 CO 0.01 -0.43 1.14 1.28 -0.95 0.00 0.00 178.83 179.88 1lxf n LEU 12 N -5.34 1.31 -4.84 1.46 4.77 -1.25 -4.90 117.00 108.21 1lxf n LEU 12 Ca -0.12 0.80 -0.29 0.00 -0.03 0.00 0.00 56.01 56.37 1lxf n LEU 12 Cb 0.34 -0.99 0.10 0.00 -2.33 0.00 0.00 43.42 40.53 1lxf n LEU 12 CO 0.32 -0.73 0.74 -0.89 -1.33 0.00 0.00 177.39 175.50 1lxf s THR 13 N 5.23 2.49 0.65 -5.08 2.01 -1.26 -4.79 115.64 114.89 1lxf s THR 13 Ca 1.12 0.16 0.32 0.00 0.31 0.00 0.00 61.69 63.60 1lxf s THR 13 Cb -1.33 -3.03 0.34 0.00 0.01 0.00 0.00 72.50 68.48 1lxf s THR 13 CO 0.67 -0.21 2.00 1.05 -0.69 0.00 0.00 174.62 177.44 1lxf h GLU 14 N -1.12 0.00 0.17 4.92 4.11 -1.97 -1.37 114.58 119.31 1lxf h GLU 14 Ca -0.47 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.95 1lxf h GLU 14 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1lxf h GLU 14 CO 0.63 0.00 -0.09 0.93 0.07 0.00 0.00 179.01 180.55 1lxf h GLU 15 N 0.00 -0.22 -0.34 1.06 5.08 -1.99 -1.78 114.58 116.38 1lxf h GLU 15 Ca 0.04 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1lxf h GLU 15 Cb 0.62 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 1lxf h GLU 15 CO -0.00 -0.15 0.12 -0.56 -1.00 0.00 0.00 179.01 177.42 1lxf h GLN 16 N -0.23 0.48 -0.85 2.33 -0.00 -1.81 -1.73 115.11 113.29 1lxf h GLN 16 Ca -0.02 -0.06 0.15 0.00 -0.00 0.00 0.00 58.65 58.72 1lxf h GLN 16 Cb 0.18 -0.09 -0.06 0.00 -0.00 0.00 0.00 27.48 27.50 1lxf h GLN 16 CO 0.03 0.42 0.56 -0.22 -0.00 0.00 0.00 178.83 179.62 1lxf h LYS 17 N 0.48 0.57 0.35 0.06 1.63 -1.17 0.57 116.57 119.06 1lxf h LYS 17 Ca 0.12 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.87 1lxf h LYS 17 Cb 0.12 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1lxf h LYS 17 CO -0.01 0.38 -0.17 -0.91 -3.45 0.00 0.00 179.45 175.29 1lxf h ASN 18 N 0.58 -0.40 -1.23 4.20 2.35 -0.39 2.14 115.58 122.84 1lxf h ASN 18 Ca 0.43 0.01 0.36 0.00 -0.55 0.00 0.00 56.30 56.55 1lxf h ASN 18 Cb 0.80 0.10 -0.05 0.00 0.05 0.00 0.00 38.32 39.22 1lxf h ASN 18 CO -0.18 -0.21 0.90 1.05 -1.65 0.00 0.00 177.43 177.34 1lxf h GLU 19 N -0.61 0.00 0.00 0.81 4.11 -1.45 0.36 114.58 117.80 1lxf h GLU 19 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1lxf h GLU 19 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1lxf h GLU 19 CO 0.08 0.00 -0.12 0.74 0.07 0.00 0.00 179.01 179.78 1lxf h PHE 20 N 0.00 0.00 -0.88 2.06 -1.00 -0.68 -2.96 116.94 113.47 1lxf h PHE 20 Ca 0.58 0.00 0.10 0.00 2.81 0.00 0.00 57.97 61.46 1lxf h PHE 20 Cb 2.38 0.00 -0.12 0.00 3.61 0.00 0.00 35.95 41.82 1lxf h PHE 20 CO 0.00 0.00 -0.52 0.87 -1.61 0.00 0.00 178.31 177.05 1lxf h LYS 21 N -0.75 -0.07 -0.58 1.51 1.79 0.45 2.13 116.57 121.05 1lxf h LYS 21 Ca 0.00 0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.59 1lxf h LYS 21 Cb 0.12 0.02 -0.11 0.00 -1.58 0.00 0.00 32.23 30.67 1lxf h LYS 21 CO 0.00 -0.05 -0.24 0.00 -1.08 0.00 0.00 179.45 178.08 1lxf h ALA 22 N 0.65 0.18 0.00 3.86 0.00 -0.50 1.89 119.26 125.33 1lxf h ALA 22 Ca 0.19 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 1lxf h ALA 22 Cb 0.49 0.61 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1lxf h ALA 22 CO -0.88 -0.55 -0.09 0.00 0.00 0.00 0.00 179.25 177.73 1lxf h ALA 23 N 1.29 1.31 -0.08 0.00 0.00 0.59 -0.51 119.26 121.86 1lxf h ALA 23 Ca 0.26 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1lxf h ALA 23 Cb 0.51 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1lxf h ALA 23 CO -0.64 0.11 -0.31 0.35 0.00 0.00 0.00 179.25 178.75 1lxf h PHE 24 N 0.00 0.16 -0.04 0.00 3.04 1.66 -1.55 116.94 120.21 1lxf h PHE 24 Ca -0.00 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.92 1lxf h PHE 24 Cb 0.26 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 38.73 1lxf h PHE 24 CO 0.00 0.45 0.00 -0.25 -2.02 0.00 0.00 178.31 176.49 1lxf n ASP 25 N -4.13 0.35 -0.10 0.41 9.92 -0.02 -3.54 116.55 119.45 1lxf n ASP 25 Ca -0.01 -1.55 -0.18 0.00 -0.53 0.00 0.00 54.79 52.52 1lxf n ASP 25 Cb 0.39 -0.03 -0.08 0.00 -0.64 0.00 0.00 41.12 40.77 1lxf n ASP 25 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1lxf n ILE 26 N -0.52 1.07 -0.33 0.53 2.08 -0.61 -3.45 119.36 118.13 1lxf n ILE 26 Ca 0.13 -0.33 0.06 0.00 0.56 0.00 0.00 62.75 63.17 1lxf n ILE 26 Cb 0.11 -1.52 0.26 0.00 -0.75 0.00 0.00 39.64 37.74 1lxf n ILE 26 CO 0.00 0.00 0.00 -0.26 0.56 0.00 0.00 176.55 176.85 1lxf h PHE 27 N -0.42 1.06 -0.43 1.39 0.04 -1.55 -1.37 116.94 115.67 1lxf h PHE 27 Ca -0.46 0.03 -0.26 0.00 2.80 0.00 0.00 57.97 60.07 1lxf h PHE 27 Cb 1.52 -0.34 -0.16 0.00 2.20 0.00 0.00 35.95 39.17 1lxf h PHE 27 CO -0.03 0.48 -0.17 1.33 -0.60 0.00 0.00 178.31 179.32 1lxf n VAL 28 N -4.55 2.61 0.28 -0.55 0.24 -1.23 -4.59 118.33 110.54 1lxf n VAL 28 Ca 0.16 -3.06 0.05 0.00 -2.04 0.00 0.00 64.34 59.46 1lxf n VAL 28 Cb 0.30 -0.50 0.21 0.00 -1.47 0.00 0.00 33.84 32.38 1lxf n VAL 28 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1lxf n LEU 29 N -1.05 0.07 -2.78 1.34 -0.00 -0.52 -2.59 117.00 111.47 1lxf n LEU 29 Ca 0.36 0.52 -0.02 0.00 -0.00 0.00 0.00 56.01 56.87 1lxf n LEU 29 Cb 0.97 -0.52 0.06 0.00 -0.00 0.00 0.00 43.42 43.93 1lxf n LEU 29 CO 0.25 -0.40 0.09 0.61 -0.00 0.00 0.00 177.39 177.94 1lxf n GLY 30 N -0.65 1.76 3.55 1.47 0.00 -1.26 -5.04 105.19 105.02 1lxf n GLY 30 Ca 0.02 -0.92 -0.24 0.00 0.00 0.00 0.00 46.02 44.88 1lxf n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lxf s ALA 31 N -2.91 2.93 0.09 4.61 0.00 -1.07 -5.05 121.76 120.37 1lxf s ALA 31 Ca 0.24 -1.72 -0.23 0.00 0.00 0.00 0.00 51.96 50.25 1lxf s ALA 31 Cb 0.37 -0.53 -0.14 0.00 0.00 0.00 0.00 23.12 22.82 1lxf s ALA 31 CO -0.04 0.30 1.74 1.49 0.00 0.00 0.00 175.76 179.25 1lxf h GLU 32 N 2.24 -0.00 0.00 0.00 4.57 -1.90 -3.44 114.58 116.05 1lxf h GLU 32 Ca -0.43 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 1lxf h GLU 32 Cb 1.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 1lxf h GLU 32 CO 0.59 -0.00 0.00 -0.40 -1.18 0.00 0.00 179.01 178.02 1lxf n ASP 33 N -5.10 0.00 -1.05 1.04 5.68 -1.26 -5.04 116.55 110.82 1lxf n ASP 33 Ca -0.06 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.19 1lxf n ASP 33 Cb 0.04 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 39.98 1lxf n ASP 33 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1lxf n GLY 34 N 4.89 0.66 3.62 6.12 0.00 -1.26 -5.02 105.19 114.20 1lxf n GLY 34 Ca 0.00 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 1lxf n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lxf s ILE 36 N 1.47 4.22 0.13 0.00 1.01 0.28 -4.41 121.20 123.90 1lxf s ILE 36 Ca 0.08 1.47 0.04 0.00 0.00 0.00 0.00 60.65 62.24 1lxf s ILE 36 Cb -0.15 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 1lxf s ILE 36 CO 0.08 -0.21 -0.10 -0.55 0.00 0.00 0.00 174.94 174.16 1lxf s SER 37 N -2.02 1.68 0.07 3.58 0.15 -1.26 0.21 113.70 116.10 1lxf s SER 37 Ca 0.61 -0.95 -0.13 0.00 0.70 0.00 0.00 55.95 56.18 1lxf s SER 37 Cb -0.13 -0.00 -0.03 0.00 -1.71 0.00 0.00 66.02 64.15 1lxf s SER 37 CO 0.17 -0.31 1.17 0.35 1.20 0.00 0.00 173.24 175.82 1lxf n THR 38 N 0.06 -0.29 -0.07 6.45 -2.24 -1.26 -0.53 114.28 116.40 1lxf n THR 38 Ca -0.12 1.81 -0.03 0.00 -2.27 0.00 0.00 64.05 63.43 1lxf n THR 38 Cb 0.60 -2.31 -0.03 0.00 -2.10 0.00 0.00 70.33 66.49 1lxf n THR 38 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1lxf h LYS 39 N 0.00 -0.05 -0.94 -0.78 1.57 -1.93 -1.18 116.57 113.26 1lxf h LYS 39 Ca 0.07 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.97 1lxf h LYS 39 Cb 0.17 0.01 -0.13 0.00 0.08 0.00 0.00 32.23 32.36 1lxf h LYS 39 CO -0.40 -0.03 -0.46 0.39 -0.57 0.00 0.00 179.45 178.38 1lxf n GLU 40 N -3.48 -0.31 -0.32 3.15 -0.58 -0.57 0.35 120.64 118.89 1lxf n GLU 40 Ca -0.00 1.44 0.05 0.00 -0.42 0.00 0.00 57.16 58.22 1lxf n GLU 40 Cb 0.08 -2.12 0.12 0.00 -0.57 0.00 0.00 31.44 28.94 1lxf n GLU 40 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1lxf n LEU 41 N -5.29 -0.33 -0.08 -4.62 -0.00 0.31 0.36 117.00 107.35 1lxf n LEU 41 Ca 0.06 1.51 -0.08 0.00 -0.00 0.00 0.00 56.01 57.51 1lxf n LEU 41 Cb 0.31 -0.45 -0.01 0.00 -0.00 0.00 0.00 43.42 43.27 1lxf n LEU 41 CO -0.14 -1.45 0.67 1.23 -0.00 0.00 0.00 177.39 177.70 1lxf h GLY 42 N 0.00 -0.19 0.00 -3.96 0.00 0.19 -2.51 103.07 96.59 1lxf h GLY 42 Ca 0.42 0.36 0.00 0.00 0.00 0.00 0.00 47.33 48.10 1lxf h GLY 42 CO -0.90 -0.21 0.00 0.28 0.00 0.00 0.00 176.54 175.71 1lxf n LYS 43 N -5.40 0.00 -0.39 4.80 5.02 0.16 0.11 118.16 122.46 1lxf n LYS 43 Ca 0.00 0.75 -0.09 0.00 -2.02 0.00 0.00 58.31 56.95 1lxf n LYS 43 Cb 0.32 -1.28 -0.08 0.00 -0.02 0.00 0.00 35.03 33.96 1lxf n LYS 43 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1lxf n VAL 44 N -2.09 -0.62 -0.20 -0.18 0.31 -1.15 0.20 118.33 114.61 1lxf n VAL 44 Ca 0.00 2.24 -0.02 0.00 -0.01 0.00 0.00 64.34 66.55 1lxf n VAL 44 Cb 0.00 -2.78 0.04 0.00 -0.91 0.00 0.00 33.84 30.19 1lxf n VAL 44 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1lxf h MET 45 N 0.00 -0.06 -0.62 5.55 2.86 -0.89 0.33 114.93 122.10 1lxf h MET 45 Ca 0.16 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.94 1lxf h MET 45 Cb 0.39 0.01 -0.11 0.00 0.06 0.00 0.00 31.60 31.95 1lxf h MET 45 CO -0.88 -0.04 -0.10 0.00 1.06 0.00 0.00 176.91 176.96 1lxf h ARG 46 N -0.06 0.04 0.00 1.72 3.08 0.44 1.01 114.38 120.61 1lxf h ARG 46 Ca 0.27 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.32 1lxf h ARG 46 Cb 0.49 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 1lxf h ARG 46 CO -0.64 0.03 -0.02 0.52 -1.07 0.00 0.00 179.97 178.79 1lxf h MET 47 N 0.04 0.00 0.00 0.04 2.86 -0.13 -1.36 114.93 116.38 1lxf h MET 47 Ca 0.31 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.74 1lxf h MET 47 Cb 0.49 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.12 1lxf h MET 47 CO -0.60 0.02 -1.10 -0.07 1.06 0.00 0.00 176.91 176.22 1lxf h LEU 48 N 0.00 0.00 0.00 1.22 4.07 0.19 -3.47 115.31 117.32 1lxf h LEU 48 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1lxf h LEU 48 Cb 0.19 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.93 1lxf h LEU 48 CO 0.00 0.88 0.00 0.61 -1.08 0.00 0.00 178.44 178.86 1lxf n GLY 49 N 1.38 0.05 3.26 0.83 0.00 0.11 -5.10 105.19 105.72 1lxf n GLY 49 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 1lxf n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1lxf s GLN 50 N 0.00 2.78 -0.82 1.61 -0.21 -0.61 -4.96 119.66 117.44 1lxf s GLN 50 Ca 0.00 -0.89 0.01 0.00 0.02 0.00 0.00 55.36 54.51 1lxf s GLN 50 Cb 0.00 -2.24 0.20 0.00 1.00 0.00 0.00 33.01 31.97 1lxf s GLN 50 CO 0.00 0.30 0.67 -1.71 -2.12 0.00 0.00 175.29 172.43 1lxf n ASN 51 N 3.18 3.73 -4.84 5.90 5.15 -1.26 0.50 115.26 127.62 1lxf n ASN 51 Ca -0.18 -3.17 -0.32 0.00 -0.60 0.00 0.00 54.58 50.31 1lxf n ASN 51 Cb 0.52 -0.93 -0.03 0.00 -0.53 0.00 0.00 39.78 38.82 1lxf n ASN 51 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1lxf s PRO 52 N -1.44 3.85 0.66 1.20 0.04 -1.26 -5.04 135.00 133.01 1lxf s PRO 52 Ca 0.27 0.98 0.02 0.00 0.04 0.00 0.00 61.00 62.31 1lxf s PRO 52 Cb -0.06 -2.12 0.10 0.00 0.04 0.00 0.00 34.50 32.47 1lxf s PRO 52 CO -0.15 -0.35 0.91 0.95 0.04 0.00 0.00 177.00 178.40 1lxf s THR 53 N -2.63 2.22 -1.89 1.26 -4.23 -1.26 -4.71 115.64 104.40 1lxf s THR 53 Ca 0.59 -0.72 0.29 0.00 -1.18 0.00 0.00 61.69 60.68 1lxf s THR 53 Cb -0.11 -2.50 0.78 0.00 1.34 0.00 0.00 72.50 72.01 1lxf s THR 53 CO 0.33 0.00 2.08 -0.81 -0.54 0.00 0.00 174.62 175.68 1lxf n PRO 54 N -2.60 0.83 0.00 3.99 -0.04 -1.26 -1.98 135.00 133.94 1lxf n PRO 54 Ca 0.14 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.39 1lxf n PRO 54 Cb 0.61 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.43 1lxf n PRO 54 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1lxf h GLU 55 N 0.00 0.23 0.06 0.54 5.08 -1.98 -3.29 114.58 115.23 1lxf h GLU 55 Ca 0.00 -0.40 -0.15 0.00 -1.00 0.00 0.00 59.36 57.81 1lxf h GLU 55 Cb 0.05 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1lxf h GLU 55 CO 0.00 1.19 -0.74 0.93 -1.00 0.00 0.00 179.01 179.39 1lxf h GLU 56 N -0.31 0.13 -0.84 2.33 3.07 -1.95 -3.34 114.58 113.67 1lxf h GLU 56 Ca -0.32 -0.23 0.21 0.00 -0.50 0.00 0.00 59.36 58.53 1lxf h GLU 56 Cb 1.76 0.08 -0.14 0.00 -0.84 0.00 0.00 28.75 29.61 1lxf h GLU 56 CO 0.05 1.11 0.13 -0.07 -1.40 0.00 0.00 179.01 178.83 1lxf h LEU 57 N -0.68 -0.17 -1.07 1.33 3.38 -1.61 1.08 115.31 117.58 1lxf h LEU 57 Ca -0.16 0.20 0.31 0.00 0.09 0.00 0.00 57.88 58.32 1lxf h LEU 57 Cb 1.39 0.31 -0.14 0.00 0.09 0.00 0.00 40.66 42.32 1lxf h LEU 57 CO 0.02 -0.18 0.61 -0.61 0.09 0.00 0.00 178.44 178.36 1lxf h GLN 58 N 0.15 0.37 -0.81 1.13 5.75 -1.68 1.92 115.11 121.94 1lxf h GLN 58 Ca 0.50 -0.02 0.08 0.00 -0.15 0.00 0.00 58.65 59.06 1lxf h GLN 58 Cb 0.98 -0.08 -0.05 0.00 1.07 0.00 0.00 27.48 29.39 1lxf h GLN 58 CO -0.68 0.24 0.53 1.49 -2.65 0.00 0.00 178.83 177.76 1lxf h GLU 59 N 0.38 0.82 0.00 1.69 4.57 0.11 0.55 114.58 122.70 1lxf h GLU 59 Ca 0.71 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.84 1lxf h GLU 59 Cb 1.61 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 30.02 1lxf h GLU 59 CO -0.53 0.54 0.00 0.52 -1.18 0.00 0.00 179.01 178.36 1lxf h MET 60 N 0.84 0.00 0.04 1.92 2.86 0.30 -3.04 114.93 117.86 1lxf h MET 60 Ca 0.36 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.70 1lxf h MET 60 Cb 0.30 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 1lxf h MET 60 CO -0.13 0.00 -1.63 0.82 1.06 0.00 0.00 176.91 177.03 1lxf h ILE 61 N 0.00 0.98 0.00 -1.22 1.08 0.11 -3.32 117.51 115.15 1lxf h ILE 61 Ca 0.00 -2.75 -0.02 0.00 -0.39 0.00 0.00 64.86 61.70 1lxf h ILE 61 Cb 0.68 2.55 -0.00 0.00 -3.07 0.00 0.00 36.82 36.98 1lxf h ILE 61 CO 0.00 0.67 -0.07 -0.78 -0.69 0.00 0.00 178.15 177.28 1lxf h ASP 62 N 0.02 0.00 0.98 1.72 3.58 -0.18 1.67 116.42 124.22 1lxf h ASP 62 Ca -0.26 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.16 1lxf h ASP 62 Cb 1.99 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 43.03 1lxf h ASP 62 CO 0.10 0.07 -0.12 -0.33 -2.88 0.00 0.00 179.24 176.09 1lxf h GLU 63 N 0.00 0.00 0.00 0.28 5.08 -1.64 -3.31 114.58 114.98 1lxf h GLU 63 Ca -0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1lxf h GLU 63 Cb 0.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1lxf h GLU 63 CO 0.01 0.12 -1.32 1.33 -1.00 0.00 0.00 179.01 178.14 1lxf n VAL 64 N -3.26 0.33 -0.65 3.13 0.24 -0.43 -4.76 118.33 112.91 1lxf n VAL 64 Ca 0.00 -0.15 -0.19 0.00 -2.04 0.00 0.00 64.34 61.96 1lxf n VAL 64 Cb 0.37 -0.77 -0.02 0.00 -1.47 0.00 0.00 33.84 31.95 1lxf n VAL 64 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1lxf n ASP 65 N -2.48 4.35 0.13 -1.34 9.92 0.56 -4.28 116.55 123.41 1lxf n ASP 65 Ca -0.09 -2.27 0.04 0.00 -0.53 0.00 0.00 54.79 51.93 1lxf n ASP 65 Cb 0.62 -1.02 0.03 0.00 -0.64 0.00 0.00 41.12 40.11 1lxf n ASP 65 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1lxf h GLU 66 N 6.40 0.00 0.00 -1.24 5.08 -1.83 -3.22 114.58 119.77 1lxf h GLU 66 Ca 0.43 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.75 1lxf h GLU 66 Cb 0.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1lxf h GLU 66 CO 1.35 0.35 -0.68 0.38 -1.00 0.00 0.00 179.01 179.41 1lxf h ASP 67 N 0.00 0.00 -1.13 1.42 2.03 -1.97 -3.48 116.42 113.29 1lxf h ASP 67 Ca -0.03 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.27 1lxf h ASP 67 Cb 1.33 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.83 1lxf h ASP 67 CO 0.05 0.16 0.00 0.61 -1.03 0.00 0.00 179.24 179.03 1lxf n GLY 68 N 1.20 0.72 0.14 7.15 0.00 -1.22 -5.01 105.19 108.17 1lxf n GLY 68 Ca 0.00 -0.45 -0.21 0.00 0.00 0.00 0.00 46.02 45.36 1lxf n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1lxf h SER 69 N 0.00 0.44 0.00 1.61 4.64 -1.93 -3.49 113.55 114.82 1lxf h SER 69 Ca 0.00 -0.92 0.00 0.00 -0.47 0.00 0.00 61.79 60.40 1lxf h SER 69 Cb 0.76 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1lxf h SER 69 CO 0.00 1.81 0.00 0.61 -0.87 0.00 0.00 176.83 178.38 1lxf n GLY 70 N 1.95 1.78 2.71 -0.77 0.00 -1.26 -5.07 105.19 104.54 1lxf n GLY 70 Ca -0.30 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 1lxf n GLY 70 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1lxf n THR 71 N -1.08 0.00 -3.76 2.61 -2.24 -1.26 -4.60 114.28 103.95 1lxf n THR 71 Ca 0.00 -1.91 -0.30 0.00 -2.27 0.00 0.00 64.05 59.57 1lxf n THR 71 Cb 0.00 0.67 -0.14 0.00 -2.10 0.00 0.00 70.33 68.76 1lxf n THR 71 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1lxf s VAL 72 N -2.77 1.32 0.26 2.28 1.01 0.56 -4.62 120.40 118.44 1lxf s VAL 72 Ca 0.16 -2.07 -0.04 0.00 0.00 0.00 0.00 61.98 60.03 1lxf s VAL 72 Cb 0.01 -1.96 0.06 0.00 0.00 0.00 0.00 36.38 34.49 1lxf s VAL 72 CO 0.11 -0.77 0.14 -0.90 0.00 0.00 0.00 175.10 173.68 1lxf n ASP 73 N 4.16 -1.97 0.00 3.32 5.68 -1.26 0.10 116.55 126.59 1lxf n ASP 73 Ca 0.04 -0.14 0.15 0.00 -0.50 0.00 0.00 54.79 54.33 1lxf n ASP 73 Cb 0.38 -0.19 0.72 0.00 -1.14 0.00 0.00 41.12 40.90 1lxf n ASP 73 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 1lxf n PHE 74 N -3.27 0.00 0.00 2.11 -0.00 -1.11 -3.40 117.46 111.80 1lxf n PHE 74 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.47 1lxf n PHE 74 Cb 0.10 -0.35 0.00 0.00 -0.00 0.00 0.00 39.48 39.23 1lxf n PHE 74 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1lxf n ASP 75 N -1.35 0.00 -0.33 -2.13 8.00 -1.26 -4.18 116.55 115.30 1lxf n ASP 75 Ca 0.12 0.07 0.25 0.00 0.71 0.00 0.00 54.79 55.94 1lxf n ASP 75 Cb 0.27 -0.12 0.49 0.00 -0.02 0.00 0.00 41.12 41.73 1lxf n ASP 75 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1lxf h GLU 76 N 0.00 0.13 -0.03 -1.24 4.11 -1.93 -1.29 114.58 114.32 1lxf h GLU 76 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1lxf h GLU 76 Cb 0.00 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1lxf h GLU 76 CO 0.00 0.08 -0.03 0.35 0.07 0.00 0.00 179.01 179.49 1lxf h PHE 77 N 0.13 -0.09 -0.00 2.06 3.57 -1.77 1.25 116.94 122.09 1lxf h PHE 77 Ca 0.75 0.01 0.01 0.00 3.53 0.00 0.00 57.97 62.26 1lxf h PHE 77 Cb 1.82 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 40.59 1lxf h PHE 77 CO -0.09 -0.02 -0.17 -0.07 -2.23 0.00 0.00 178.31 175.73 1lxf h LEU 78 N -0.01 -0.53 -1.16 0.59 3.38 -1.40 -0.67 115.31 115.50 1lxf h LEU 78 Ca 0.01 0.06 0.39 0.00 0.09 0.00 0.00 57.88 58.43 1lxf h LEU 78 Cb 0.02 0.20 -0.15 0.00 0.09 0.00 0.00 40.66 40.83 1lxf h LEU 78 CO -0.04 -0.17 0.67 0.58 0.09 0.00 0.00 178.44 179.58 1lxf h VAL 79 N -0.21 0.14 -0.30 1.22 2.07 -1.25 0.34 116.25 118.27 1lxf h VAL 79 Ca 0.00 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 67.55 1lxf h VAL 79 Cb 0.23 -0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.92 1lxf h VAL 79 CO -0.12 0.02 -0.24 -0.03 0.02 0.00 0.00 177.57 177.23 1lxf h MET 80 N 0.14 -0.21 -0.43 1.57 -1.53 0.32 1.22 114.93 116.00 1lxf h MET 80 Ca 0.80 0.01 -0.09 0.00 -3.44 0.00 0.00 59.70 56.98 1lxf h MET 80 Cb 2.19 0.05 -0.02 0.00 -0.55 0.00 0.00 31.60 33.27 1lxf h MET 80 CO -0.58 -0.14 -0.10 0.52 0.14 0.00 0.00 176.91 176.74 1lxf h MET 81 N -0.22 0.77 0.00 0.39 2.07 -0.15 -1.08 114.93 116.71 1lxf h MET 81 Ca 0.16 -0.25 -0.01 0.00 -2.07 0.00 0.00 59.70 57.52 1lxf h MET 81 Cb 0.46 -0.07 -0.00 0.00 -1.87 0.00 0.00 31.60 30.12 1lxf h MET 81 CO -0.43 0.85 -0.04 0.28 1.07 0.00 0.00 176.91 178.65 1lxf h VAL 82 N 0.70 0.10 0.20 -2.22 2.07 -0.26 0.29 116.25 117.14 1lxf h VAL 82 Ca 0.12 -0.60 -0.35 0.00 0.82 0.00 0.00 66.70 66.69 1lxf h VAL 82 Cb 0.58 1.55 0.02 0.00 -1.52 0.00 0.00 31.29 31.91 1lxf h VAL 82 CO 0.04 0.04 -1.66 -0.09 0.02 0.00 0.00 177.57 175.91 1lxf h ARG 83 N 0.00 0.43 0.02 1.57 2.43 0.22 -3.25 114.38 115.80 1lxf h ARG 83 Ca -0.00 -0.74 -0.00 0.00 -0.81 0.00 0.00 59.98 58.43 1lxf h ARG 83 Cb 0.54 0.28 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 1lxf h ARG 83 CO 0.00 1.35 -0.01 0.00 -1.51 0.00 0.00 179.97 179.81 1lxf h MET 85 N -0.99 0.23 0.18 0.00 2.86 -0.61 0.23 114.93 116.82 1lxf h MET 85 Ca -0.00 -0.01 -0.35 0.00 -2.06 0.00 0.00 59.70 57.27 1lxf h MET 85 Cb 0.51 -0.05 0.01 0.00 0.06 0.00 0.00 31.60 32.13 1lxf h MET 85 CO 0.00 0.15 -1.75 0.87 1.06 0.00 0.00 176.91 177.25 1lxf h LYS 86 N 0.24 0.38 -2.95 1.72 1.57 -1.65 -3.44 116.57 112.45 1lxf h LYS 86 Ca 0.77 -0.65 -0.54 0.00 -1.87 0.00 0.00 60.65 58.35 1lxf h LYS 86 Cb 1.85 0.24 -0.40 0.00 0.08 0.00 0.00 32.23 34.01 1lxf h LYS 86 CO -0.64 1.31 -0.78 -0.51 -0.57 0.00 0.00 179.45 178.27 1lxf s ASP 87 N -7.27 3.62 0.61 0.86 1.01 0.69 -5.09 116.67 111.10 1lxf s ASP 87 Ca -0.17 -1.41 -0.11 0.00 0.71 0.00 0.00 52.55 51.57 1lxf s ASP 87 Cb 0.05 -0.47 -0.04 0.00 1.01 0.00 0.00 42.92 43.48 1lxf s ASP 87 CO 0.84 -0.43 1.02 -1.81 0.21 0.00 0.00 175.17 175.01 1lxf s ASP 88 N 1.94 6.24 0.00 0.27 1.11 -0.56 -3.73 116.67 121.94 1lxf s ASP 88 Ca 0.10 1.41 0.00 0.00 0.18 0.00 0.00 52.55 54.23 1lxf s ASP 88 Cb -0.17 -2.46 0.00 0.00 1.07 0.00 0.00 42.92 41.36 1lxf s ASP 88 CO -0.33 -0.85 0.00 -0.24 1.18 0.00 0.00 175.17 174.93