#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 -1.74 0.10 7.83 9.92 -1.26 -4.86 116.55 126.54 1lxf n ASP 2 Ca 0.00 -1.20 -0.21 0.00 -0.53 0.00 0.00 54.79 52.85 1lxf n ASP 2 Cb 0.00 -2.14 -0.15 0.00 -0.64 0.00 0.00 41.12 38.19 1lxf n ASP 2 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1lxf h ASP 3 N -2.10 0.62 -0.62 -2.24 3.32 -2.07 -3.20 116.42 110.14 1lxf h ASP 3 Ca -0.67 -0.78 0.18 0.00 0.02 0.00 0.00 57.03 55.78 1lxf h ASP 3 Cb 1.39 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.71 1lxf h ASP 3 CO 0.60 1.63 0.70 0.16 -1.72 0.00 0.00 179.24 180.61 1lxf h ILE 4 N 0.11 0.24 0.14 0.35 -2.65 -2.02 0.31 117.51 113.99 1lxf h ILE 4 Ca -0.27 0.00 -0.35 0.00 1.03 0.00 0.00 64.86 65.28 1lxf h ILE 4 Cb 2.09 0.44 -0.01 0.00 -2.05 0.00 0.00 36.82 37.29 1lxf h ILE 4 CO 0.21 0.00 -1.83 1.88 0.03 0.00 0.00 178.15 178.45 1lxf h TYR 5 N 0.00 0.54 -0.73 0.16 -1.99 -1.94 -3.34 116.97 109.67 1lxf h TYR 5 Ca 0.29 -0.40 0.07 0.00 2.00 0.00 0.00 58.73 60.70 1lxf h TYR 5 Cb 1.69 -0.02 -0.10 0.00 2.00 0.00 0.00 36.73 40.29 1lxf h TYR 5 CO 0.00 1.72 -0.57 0.87 -0.00 0.00 0.00 178.16 180.18 1lxf h LYS 6 N -0.00 -0.16 -0.58 4.88 1.79 -0.38 0.77 116.57 122.89 1lxf h LYS 6 Ca -0.38 0.01 0.12 0.00 -2.18 0.00 0.00 60.65 58.22 1lxf h LYS 6 Cb 2.00 0.04 -0.10 0.00 -1.58 0.00 0.00 32.23 32.58 1lxf h LYS 6 CO 0.10 -0.11 -0.07 0.00 -1.08 0.00 0.00 179.45 178.30 1lxf h ALA 7 N 0.23 0.48 -0.15 3.86 0.00 -1.70 0.56 119.26 122.55 1lxf h ALA 7 Ca 0.12 0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.26 1lxf h ALA 7 Cb 0.48 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1lxf h ALA 7 CO -0.77 -0.41 -0.05 0.00 0.00 0.00 0.00 179.25 178.02 1lxf h ALA 8 N 1.56 0.09 0.00 0.00 0.00 -0.62 0.30 119.26 120.58 1lxf h ALA 8 Ca 0.29 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1lxf h ALA 8 Cb 0.46 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1lxf h ALA 8 CO -0.55 -0.49 -0.05 0.28 0.00 0.00 0.00 179.25 178.44 1lxf h VAL 9 N -0.01 0.46 0.00 0.00 2.07 0.22 -0.57 116.25 118.41 1lxf h VAL 9 Ca 0.07 -0.24 -0.20 0.00 0.82 0.00 0.00 66.70 67.15 1lxf h VAL 9 Cb 0.13 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1lxf h VAL 9 CO -0.16 0.05 -0.99 -0.33 0.02 0.00 0.00 177.57 176.16 1lxf h GLU 10 N 0.00 0.00 -0.13 1.57 5.08 0.22 -3.30 114.58 118.02 1lxf h GLU 10 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1lxf h GLU 10 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1lxf h GLU 10 CO 0.01 0.86 0.06 1.96 -1.00 0.00 0.00 179.01 180.89 1lxf h GLN 11 N 0.00 0.18 -6.39 2.33 4.20 0.11 -3.43 115.11 112.12 1lxf h GLN 11 Ca -0.04 -0.03 -0.63 0.00 0.06 0.00 0.00 58.65 58.01 1lxf h GLN 11 Cb 1.72 -0.03 0.08 0.00 0.30 0.00 0.00 27.48 29.56 1lxf h GLN 11 CO 0.11 0.24 0.28 1.28 -0.67 0.00 0.00 178.83 180.07 1lxf n LEU 12 N -4.93 1.75 -4.96 1.46 4.77 -1.07 -4.97 117.00 109.05 1lxf n LEU 12 Ca -0.05 1.15 -0.19 0.00 -0.03 0.00 0.00 56.01 56.89 1lxf n LEU 12 Cb 0.09 -1.25 -0.01 0.00 -2.33 0.00 0.00 43.42 39.92 1lxf n LEU 12 CO 0.34 -1.23 0.07 -0.89 -1.33 0.00 0.00 177.39 174.36 1lxf s THR 13 N -0.32 3.17 0.65 -5.08 2.01 -1.26 -4.94 115.64 109.88 1lxf s THR 13 Ca 0.70 -1.12 0.28 0.00 0.31 0.00 0.00 61.69 61.86 1lxf s THR 13 Cb -0.80 -3.09 0.30 0.00 0.01 0.00 0.00 72.50 68.91 1lxf s THR 13 CO 0.53 -0.05 1.86 -0.08 -0.69 0.00 0.00 174.62 176.19 1lxf h GLU 14 N 0.85 0.00 0.00 4.92 4.57 -1.98 -0.79 114.58 122.15 1lxf h GLU 14 Ca -0.42 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 1lxf h GLU 14 Cb 1.27 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 1lxf h GLU 14 CO 0.51 0.00 0.00 0.39 -1.18 0.00 0.00 179.01 178.73 1lxf n GLU 15 N -3.02 0.00 -0.34 1.92 1.02 -1.26 -1.22 120.64 117.75 1lxf n GLU 15 Ca 0.00 0.22 0.32 0.00 -0.02 0.00 0.00 57.16 57.68 1lxf n GLU 15 Cb 0.47 -0.97 0.67 0.00 -0.02 0.00 0.00 31.44 31.60 1lxf n GLU 15 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 1lxf h GLN 16 N 0.00 0.12 0.81 3.49 -0.00 -1.89 -0.38 115.11 117.27 1lxf h GLN 16 Ca 0.00 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.60 1lxf h GLN 16 Cb 0.00 -0.03 0.01 0.00 -0.00 0.00 0.00 27.48 27.46 1lxf h GLN 16 CO 0.00 0.08 -0.39 -0.22 -0.00 0.00 0.00 178.83 178.30 1lxf h LYS 17 N 0.12 -1.04 -0.21 0.06 1.63 -1.20 -2.11 116.57 113.83 1lxf h LYS 17 Ca 0.60 0.07 0.02 0.00 -0.85 0.00 0.00 60.65 60.49 1lxf h LYS 17 Cb 2.09 0.24 -0.03 0.00 -0.60 0.00 0.00 32.23 33.93 1lxf h LYS 17 CO -0.12 -0.70 -0.16 -0.91 -3.45 0.00 0.00 179.45 174.12 1lxf h ASN 18 N -1.20 -0.55 -1.36 4.20 2.35 0.39 2.11 115.58 121.52 1lxf h ASN 18 Ca -0.11 0.08 0.41 0.00 -0.55 0.00 0.00 56.30 56.13 1lxf h ASN 18 Cb 0.83 0.24 -0.10 0.00 0.05 0.00 0.00 38.32 39.34 1lxf h ASN 18 CO 0.18 -0.08 0.92 1.05 -1.65 0.00 0.00 177.43 177.85 1lxf h GLU 19 N -0.04 0.11 0.05 0.81 9.09 -1.56 0.15 114.58 123.19 1lxf h GLU 19 Ca 0.03 -0.01 -0.00 0.00 0.05 0.00 0.00 59.36 59.44 1lxf h GLU 19 Cb 0.13 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.21 1lxf h GLU 19 CO -0.22 0.07 -0.02 0.74 0.05 0.00 0.00 179.01 179.63 1lxf h PHE 20 N 0.11 -0.06 -1.06 2.06 0.04 0.16 -3.25 116.94 114.93 1lxf h PHE 20 Ca 0.75 -0.00 0.36 0.00 2.80 0.00 0.00 57.97 61.88 1lxf h PHE 20 Cb 2.53 0.02 -0.15 0.00 2.20 0.00 0.00 35.95 40.55 1lxf h PHE 20 CO -0.00 0.22 0.62 0.87 -0.60 0.00 0.00 178.31 179.41 1lxf h LYS 21 N -1.00 0.20 -0.02 1.51 1.57 0.49 0.61 116.57 119.94 1lxf h LYS 21 Ca -0.01 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1lxf h LYS 21 Cb 0.31 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 1lxf h LYS 21 CO 0.01 0.13 -0.23 0.00 -0.57 0.00 0.00 179.45 178.80 1lxf h ALA 22 N 1.83 -0.29 -0.02 3.86 0.00 -0.87 0.24 119.26 124.01 1lxf h ALA 22 Ca 0.77 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.69 1lxf h ALA 22 Cb 1.97 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 20.17 1lxf h ALA 22 CO -0.60 -0.72 0.03 0.00 0.00 0.00 0.00 179.25 177.96 1lxf h ALA 23 N 0.53 1.43 0.00 0.00 0.00 0.15 0.42 119.26 121.79 1lxf h ALA 23 Ca 0.07 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1lxf h ALA 23 Cb 0.44 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1lxf h ALA 23 CO -0.22 -0.04 -0.09 0.74 0.00 0.00 0.00 179.25 179.64 1lxf h PHE 24 N 0.00 0.00 -0.02 0.00 0.04 0.56 -1.43 116.94 116.09 1lxf h PHE 24 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1lxf h PHE 24 Cb 0.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.22 1lxf h PHE 24 CO 0.00 0.09 0.00 -0.25 -0.60 0.00 0.00 178.31 177.55 1lxf n ASP 25 N -3.26 0.90 -0.06 2.17 8.00 0.15 -3.19 116.55 121.25 1lxf n ASP 25 Ca -0.00 -1.34 -0.10 0.00 0.71 0.00 0.00 54.79 54.06 1lxf n ASP 25 Cb 0.33 -0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.36 1lxf n ASP 25 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1lxf n ILE 26 N -0.28 0.73 -0.21 0.53 2.08 -0.60 -3.56 119.36 118.06 1lxf n ILE 26 Ca 0.20 -0.26 -0.07 0.00 0.56 0.00 0.00 62.75 63.17 1lxf n ILE 26 Cb 0.25 -1.08 0.03 0.00 -0.75 0.00 0.00 39.64 38.09 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 -0.09 0.89 -0.60 1.39 0.04 -1.52 -2.84 116.94 114.22 1lxf h PHE 27 Ca -0.30 -0.07 -0.39 0.00 2.80 0.00 0.00 57.97 60.02 1lxf h PHE 27 Cb 1.42 -0.27 -0.25 0.00 2.20 0.00 0.00 35.95 39.05 1lxf h PHE 27 CO 0.00 0.71 -0.15 1.33 -0.60 0.00 0.00 178.31 179.61 1lxf n VAL 28 N -4.48 2.75 0.98 -0.55 0.24 -1.19 -4.65 118.33 111.43 1lxf n VAL 28 Ca 0.03 -3.26 0.09 0.00 -2.04 0.00 0.00 64.34 59.16 1lxf n VAL 28 Cb 0.16 -0.73 0.50 0.00 -1.47 0.00 0.00 33.84 32.29 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 -0.96 0.00 -0.16 1.34 -0.00 -1.07 -2.74 117.00 113.41 1lxf n LEU 29 Ca 0.42 0.17 0.00 0.00 -0.00 0.00 0.00 56.01 56.61 1lxf n LEU 29 Cb 0.95 -0.17 0.00 0.00 -0.00 0.00 0.00 43.42 44.20 1lxf n LEU 29 CO 0.37 -0.07 0.23 0.61 -0.00 0.00 0.00 177.39 178.53 1lxf n GLY 30 N 0.22 -1.59 3.93 1.47 0.00 -1.26 -5.02 105.19 102.94 1lxf n GLY 30 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 3.66 0.05 4.61 0.00 -1.11 -5.02 121.76 123.95 1lxf s ALA 31 Ca 0.00 -0.82 -0.26 0.00 0.00 0.00 0.00 51.96 50.89 1lxf s ALA 31 Cb 0.00 -2.18 -0.17 0.00 0.00 0.00 0.00 23.12 20.77 1lxf s ALA 31 CO 0.00 0.00 1.51 1.49 0.00 0.00 0.00 175.76 178.76 1lxf h GLU 32 N 0.88 -0.26 0.00 0.00 4.57 -1.89 -3.44 114.58 114.43 1lxf h GLU 32 Ca -0.49 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1lxf h GLU 32 Cb 1.21 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 1lxf h GLU 32 CO 0.62 -0.05 0.00 -0.40 -1.18 0.00 0.00 179.01 178.01 1lxf n ASP 33 N -5.13 0.00 -1.02 1.04 5.68 -1.26 -5.03 116.55 110.83 1lxf n ASP 33 Ca -0.09 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.18 1lxf n ASP 33 Cb 0.19 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.14 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 4.16 0.71 3.70 6.12 0.00 -1.26 -5.01 105.19 113.61 1lxf n GLY 34 Ca 0.00 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 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 1.03 5.20 0.39 0.00 1.01 0.21 -4.64 121.20 124.40 1lxf s ILE 36 Ca 0.27 -0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.84 1lxf s ILE 36 Cb -0.16 -3.66 -0.02 0.00 0.01 0.00 0.00 42.46 38.63 1lxf s ILE 36 CO 0.11 -0.02 0.19 -0.94 0.00 0.00 0.00 174.94 174.28 1lxf s SER 37 N -2.67 2.44 0.51 3.58 1.04 -1.26 0.18 113.70 117.52 1lxf s SER 37 Ca 0.40 -1.73 0.28 0.00 0.48 0.00 0.00 55.95 55.38 1lxf s SER 37 Cb -0.12 0.57 1.31 0.00 0.10 0.00 0.00 66.02 67.88 1lxf s SER 37 CO 0.26 -1.00 1.99 0.71 0.98 0.00 0.00 173.24 176.18 1lxf h THR 38 N 1.88 0.45 0.01 2.02 1.35 -1.90 0.60 112.91 117.32 1lxf h THR 38 Ca -0.31 -0.71 -0.12 0.00 -0.55 0.00 0.00 66.41 64.72 1lxf h THR 38 Cb 1.26 1.50 0.01 0.00 -1.73 0.00 0.00 68.15 69.19 1lxf h THR 38 CO 0.48 0.13 -0.47 0.50 -0.25 0.00 0.00 175.52 175.91 1lxf h LYS 39 N 0.00 0.31 -0.30 4.72 3.64 -1.96 -3.17 116.57 119.81 1lxf h LYS 39 Ca -0.00 -0.34 -0.10 0.00 -1.27 0.00 0.00 60.65 58.94 1lxf h LYS 39 Cb 0.48 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 1lxf h LYS 39 CO 0.02 1.04 -0.19 0.93 -2.27 0.00 0.00 179.45 178.98 1lxf h GLU 40 N -0.28 0.66 -0.05 1.90 4.39 -1.78 -3.23 114.58 116.19 1lxf h GLU 40 Ca -0.06 -0.31 0.01 0.00 0.34 0.00 0.00 59.36 59.34 1lxf h GLU 40 Cb 1.21 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.84 1lxf h GLU 40 CO 0.09 0.90 -0.08 1.25 -1.16 0.00 0.00 179.01 180.02 1lxf h LEU 41 N 0.42 -0.26 -1.70 1.33 7.12 -0.98 0.35 115.31 121.59 1lxf h LEU 41 Ca 0.06 0.03 0.52 0.00 0.13 0.00 0.00 57.88 58.63 1lxf h LEU 41 Cb 0.73 0.11 -0.11 0.00 -0.53 0.00 0.00 40.66 40.86 1lxf h LEU 41 CO 0.05 -0.06 1.15 1.23 -0.13 0.00 0.00 178.44 180.69 1lxf h GLY 42 N -0.06 0.69 0.80 3.75 0.00 -1.63 0.59 103.07 107.21 1lxf h GLY 42 Ca 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 1lxf h GLY 42 CO -0.08 -0.24 -0.30 1.70 0.00 0.00 0.00 176.54 177.62 1lxf h LYS 43 N 0.01 -0.68 0.68 4.80 1.63 -0.33 -0.61 116.57 122.06 1lxf h LYS 43 Ca 0.91 0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 60.72 1lxf h LYS 43 Cb 3.30 0.15 0.01 0.00 -0.60 0.00 0.00 32.23 35.09 1lxf h LYS 43 CO -0.24 -0.45 -0.33 0.28 -3.45 0.00 0.00 179.45 175.26 1lxf h VAL 44 N -0.71 0.20 -0.97 2.00 2.07 0.48 -3.05 116.25 116.27 1lxf h VAL 44 Ca -0.04 -0.23 0.15 0.00 0.82 0.00 0.00 66.70 67.40 1lxf h VAL 44 Cb 0.60 0.26 -0.16 0.00 -1.52 0.00 0.00 31.29 30.47 1lxf h VAL 44 CO 0.01 0.02 -0.37 0.23 0.02 0.00 0.00 177.57 177.49 1lxf n MET 45 N -5.42 -0.22 -0.31 1.57 2.81 -0.66 0.22 117.12 115.11 1lxf n MET 45 Ca -0.13 1.50 0.22 0.00 -1.81 0.00 0.00 57.70 57.49 1lxf n MET 45 Cb 0.38 -2.23 0.51 0.00 -0.71 0.00 0.00 33.22 31.17 1lxf n MET 45 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1lxf h ARG 46 N 0.00 0.38 -0.00 0.03 2.43 0.12 1.54 114.38 118.88 1lxf h ARG 46 Ca 0.35 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1lxf h ARG 46 Cb 0.59 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1lxf h ARG 46 CO -0.97 0.25 -0.10 -1.33 -1.51 0.00 0.00 179.97 176.31 1lxf n MET 47 N -4.59 0.83 -0.18 0.20 2.81 0.59 -3.32 117.12 113.46 1lxf n MET 47 Ca 0.24 -0.31 0.09 0.00 -1.81 0.00 0.00 57.70 55.90 1lxf n MET 47 Cb 0.84 -1.49 0.18 0.00 -0.71 0.00 0.00 33.22 32.04 1lxf n MET 47 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1lxf n LEU 48 N -0.82 3.11 0.00 4.03 4.32 0.51 -4.93 117.00 123.23 1lxf n LEU 48 Ca 0.15 -1.66 0.00 0.00 -0.02 0.00 0.00 56.01 54.48 1lxf n LEU 48 Cb 0.28 -0.24 0.00 0.00 -1.62 0.00 0.00 43.42 41.84 1lxf n LEU 48 CO 0.23 0.72 0.00 0.61 -1.22 0.00 0.00 177.39 177.72 1lxf n GLY 49 N 1.05 0.70 3.06 -0.72 0.00 -0.81 -5.04 105.19 103.43 1lxf n GLY 49 Ca 0.15 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.84 1.44 -0.60 1.61 -1.52 -0.31 -5.00 119.66 114.43 1lxf s GLN 50 Ca 0.00 -0.45 0.05 0.00 -1.95 0.00 0.00 55.36 53.01 1lxf s GLN 50 Cb 0.00 -1.26 0.18 0.00 -0.22 0.00 0.00 33.01 31.70 1lxf s GLN 50 CO 0.00 0.15 0.47 -1.71 -0.25 0.00 0.00 175.29 173.95 1lxf n ASN 51 N 3.32 1.91 -3.05 5.90 5.15 -1.26 -0.07 115.26 127.15 1lxf n ASN 51 Ca -0.19 -2.96 -0.15 0.00 -0.60 0.00 0.00 54.58 50.68 1lxf n ASN 51 Cb 0.53 -0.68 0.10 0.00 -0.53 0.00 0.00 39.78 39.20 1lxf n ASN 51 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1lxf n PRO 52 N 2.12 -0.56 -4.05 1.20 -0.04 -1.26 -5.07 135.00 127.34 1lxf n PRO 52 Ca 0.24 -1.14 -0.27 0.00 -0.04 0.00 0.00 63.50 62.29 1lxf n PRO 52 Cb 0.40 -0.67 -0.03 0.00 -0.04 0.00 0.00 33.50 33.16 1lxf n PRO 52 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1lxf s THR 53 N -2.40 1.66 -0.86 0.52 -4.23 -1.26 -4.99 115.64 104.08 1lxf s THR 53 Ca 0.39 -1.60 0.27 0.00 -1.18 0.00 0.00 61.69 59.58 1lxf s THR 53 Cb -0.01 -2.26 0.25 0.00 1.34 0.00 0.00 72.50 71.82 1lxf s THR 53 CO 0.27 0.00 1.82 -0.81 -0.54 0.00 0.00 174.62 175.37 1lxf n PRO 54 N -1.62 0.14 0.05 3.99 -0.04 -1.26 -1.81 135.00 134.44 1lxf n PRO 54 Ca -0.05 0.11 -0.18 0.00 -0.04 0.00 0.00 63.50 63.34 1lxf n PRO 54 Cb 0.65 -1.65 -0.14 0.00 -0.04 0.00 0.00 33.50 32.31 1lxf n PRO 54 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1lxf h GLU 55 N 0.00 0.26 0.00 0.54 4.11 -1.97 -3.23 114.58 114.29 1lxf h GLU 55 Ca 0.00 -0.44 -0.01 0.00 0.07 0.00 0.00 59.36 58.98 1lxf h GLU 55 Cb 0.62 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 1lxf h GLU 55 CO 0.00 1.11 -0.94 0.93 0.07 0.00 0.00 179.01 180.18 1lxf h GLU 56 N 0.07 0.00 -0.13 1.06 5.08 -1.98 -3.36 114.58 115.32 1lxf h GLU 56 Ca -0.31 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.96 1lxf h GLU 56 Cb 2.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.29 1lxf h GLU 56 CO 0.14 0.02 -0.27 -0.07 -1.00 0.00 0.00 179.01 177.83 1lxf h LEU 57 N 0.00 0.47 -1.41 1.33 3.38 -1.49 -3.09 115.31 114.49 1lxf h LEU 57 Ca -0.01 -0.56 0.32 0.00 0.09 0.00 0.00 57.88 57.73 1lxf h LEU 57 Cb 1.03 -0.13 -0.10 0.00 0.09 0.00 0.00 40.66 41.54 1lxf h LEU 57 CO 0.00 0.94 0.73 -0.61 0.09 0.00 0.00 178.44 179.59 1lxf h GLN 58 N 0.02 0.27 0.00 1.13 5.75 -1.69 1.65 115.11 122.23 1lxf h GLN 58 Ca 0.00 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1lxf h GLN 58 Cb 0.86 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.35 1lxf h GLN 58 CO 0.06 0.18 0.02 1.49 -2.65 0.00 0.00 178.83 177.93 1lxf h GLU 59 N 0.27 0.00 0.10 1.69 4.81 -1.72 0.24 114.58 119.98 1lxf h GLU 59 Ca 0.66 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.63 1lxf h GLU 59 Cb 1.88 0.00 0.03 0.00 0.63 0.00 0.00 28.75 31.28 1lxf h GLU 59 CO -0.32 0.00 -1.10 0.52 -0.73 0.00 0.00 179.01 177.38 1lxf h MET 60 N 0.00 0.57 0.05 1.92 2.86 0.23 -3.29 114.93 117.28 1lxf h MET 60 Ca 0.00 -0.75 -0.21 0.00 -2.06 0.00 0.00 59.70 56.68 1lxf h MET 60 Cb 0.04 0.24 0.02 0.00 0.06 0.00 0.00 31.60 31.96 1lxf h MET 60 CO 0.00 1.33 -0.85 0.82 1.06 0.00 0.00 176.91 179.27 1lxf h ILE 61 N 0.17 1.39 -0.94 -1.22 5.03 -1.13 -3.32 117.51 117.48 1lxf h ILE 61 Ca -0.17 -2.26 0.09 0.00 -0.12 0.00 0.00 64.86 62.41 1lxf h ILE 61 Cb 1.79 2.68 -0.12 0.00 -3.03 0.00 0.00 36.82 38.15 1lxf h ILE 61 CO 0.21 0.67 -0.57 -0.78 -0.68 0.00 0.00 178.15 177.01 1lxf h ASP 62 N 0.01 -2.06 -0.17 1.72 3.58 -0.70 2.38 116.42 121.18 1lxf h ASP 62 Ca -0.12 0.32 0.02 0.00 0.42 0.00 0.00 57.03 57.67 1lxf h ASP 62 Cb 1.56 0.92 -0.05 0.00 1.72 0.00 0.00 39.33 43.48 1lxf h ASP 62 CO 0.16 -0.25 -0.34 -0.33 -2.88 0.00 0.00 179.24 175.60 1lxf h GLU 63 N -0.04 -0.29 0.00 0.28 5.08 -1.68 0.32 114.58 118.26 1lxf h GLU 63 Ca 0.17 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1lxf h GLU 63 Cb 0.45 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1lxf h GLU 63 CO -0.91 -0.19 0.00 -0.39 -1.00 0.00 0.00 179.01 176.52 1lxf h VAL 64 N -0.30 0.00 -0.07 3.13 -1.51 -1.29 -3.27 116.25 112.94 1lxf h VAL 64 Ca 0.03 -0.13 -0.67 0.00 -1.23 0.00 0.00 66.70 64.71 1lxf h VAL 64 Cb 0.39 0.91 0.02 0.00 -2.13 0.00 0.00 31.29 30.47 1lxf h VAL 64 CO -0.32 0.00 3.71 0.47 -1.23 0.00 0.00 177.57 180.20 1lxf n ASP 65 N -2.66 8.69 0.17 4.19 9.92 0.79 -4.47 116.55 133.17 1lxf n ASP 65 Ca -0.01 -2.60 0.05 0.00 -0.53 0.00 0.00 54.79 51.69 1lxf n ASP 65 Cb 0.12 -1.55 0.20 0.00 -0.64 0.00 0.00 41.12 39.26 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 4.94 0.00 -0.33 -1.24 4.39 -1.70 -2.95 114.58 117.69 1lxf h GLU 66 Ca 0.86 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.56 1lxf h GLU 66 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1lxf h GLU 66 CO 1.75 0.42 0.00 -0.40 -1.16 0.00 0.00 179.01 179.62 1lxf n ASP 67 N -3.36 2.99 -3.62 1.42 5.68 -1.26 -4.94 116.55 113.47 1lxf n ASP 67 Ca 0.01 -1.93 -0.25 0.00 -0.50 0.00 0.00 54.79 52.12 1lxf n ASP 67 Cb 0.61 -0.21 0.06 0.00 -1.14 0.00 0.00 41.12 40.45 1lxf n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1lxf n GLY 68 N 1.41 -0.54 0.07 6.12 0.00 -1.11 -4.88 105.19 106.26 1lxf n GLY 68 Ca 0.18 0.23 -0.06 0.00 0.00 0.00 0.00 46.02 46.37 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 -2.43 0.01 0.00 1.61 4.64 -1.92 -3.47 113.55 111.98 1lxf h SER 69 Ca -0.57 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 1lxf h SER 69 Cb 1.37 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 1lxf h SER 69 CO 0.59 0.94 0.00 0.61 -0.87 0.00 0.00 176.83 178.09 1lxf n GLY 70 N 1.15 2.66 0.66 -0.77 0.00 -1.26 -5.02 105.19 102.62 1lxf n GLY 70 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.00 0.00 -3.87 2.61 -2.24 -1.26 -4.75 114.28 102.78 1lxf n THR 71 Ca 0.00 -0.47 -0.30 0.00 -2.27 0.00 0.00 64.05 61.01 1lxf n THR 71 Cb 0.00 0.16 -0.15 0.00 -2.10 0.00 0.00 70.33 68.24 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 -1.82 1.46 0.00 2.28 1.01 0.47 -4.62 120.40 119.18 1lxf s VAL 72 Ca 0.04 -1.69 0.00 0.00 0.00 0.00 0.00 61.98 60.33 1lxf s VAL 72 Cb 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 34.35 1lxf s VAL 72 CO 0.03 -0.55 0.00 -0.90 0.00 0.00 0.00 175.10 173.68 1lxf n ASP 73 N 4.62 -0.97 0.01 3.32 5.68 -1.26 0.63 116.55 128.58 1lxf n ASP 73 Ca -0.02 -0.03 0.13 0.00 -0.50 0.00 0.00 54.79 54.37 1lxf n ASP 73 Cb 0.42 0.00 0.46 0.00 -1.14 0.00 0.00 41.12 40.86 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 -1.97 0.09 0.00 2.11 -0.00 -1.21 -3.73 117.46 112.74 1lxf n PHE 74 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 57.45 57.48 1lxf n PHE 74 Cb 0.00 -0.45 0.00 0.00 -0.00 0.00 0.00 39.48 39.03 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 -1.58 0.00 -0.51 -2.13 9.92 -1.26 -4.00 116.55 116.99 1lxf n ASP 75 Ca 0.06 0.08 0.42 0.00 -0.53 0.00 0.00 54.79 54.82 1lxf n ASP 75 Cb 0.35 -0.13 0.72 0.00 -0.64 0.00 0.00 41.12 41.41 1lxf n ASP 75 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1lxf h GLU 76 N 0.00 0.05 0.00 -1.24 4.11 -1.91 -1.83 114.58 113.76 1lxf h GLU 76 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1lxf h GLU 76 Cb 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1lxf h GLU 76 CO 0.00 0.03 0.00 0.34 0.07 0.00 0.00 179.01 179.45 1lxf n PHE 77 N -4.40 0.00 -0.31 2.06 7.35 -1.24 -0.57 117.46 120.34 1lxf n PHE 77 Ca 0.38 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 57.23 1lxf n PHE 77 Cb 1.59 -0.29 0.33 0.00 0.35 0.00 0.00 39.48 41.46 1lxf n PHE 77 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1lxf h LEU 78 N 0.00 -0.02 0.36 -2.13 3.38 -1.48 0.04 115.31 115.47 1lxf h LEU 78 Ca 0.00 0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 1lxf h LEU 78 Cb 0.00 0.30 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1lxf h LEU 78 CO 0.00 -0.21 -0.37 0.58 0.09 0.00 0.00 178.44 178.52 1lxf h VAL 79 N 0.16 0.23 -1.09 1.22 2.07 -1.26 -0.68 116.25 116.90 1lxf h VAL 79 Ca 0.60 0.00 0.32 0.00 0.82 0.00 0.00 66.70 68.44 1lxf h VAL 79 Cb 1.28 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 1lxf h VAL 79 CO -0.71 0.00 0.96 -0.03 0.02 0.00 0.00 177.57 177.81 1lxf h MET 80 N -0.77 0.00 0.10 1.57 1.85 0.12 1.15 114.93 118.95 1lxf h MET 80 Ca -0.03 0.00 -0.28 0.00 -0.61 0.00 0.00 59.70 58.79 1lxf h MET 80 Cb 0.69 0.00 0.02 0.00 0.43 0.00 0.00 31.60 32.74 1lxf h MET 80 CO -0.07 0.00 -1.18 0.52 -0.40 0.00 0.00 176.91 175.78 1lxf h MET 81 N 0.00 0.51 0.00 0.39 2.07 -0.85 -3.19 114.93 113.86 1lxf h MET 81 Ca 0.52 -0.68 0.00 0.00 -2.07 0.00 0.00 59.70 57.47 1lxf h MET 81 Cb 2.43 0.22 0.00 0.00 -1.87 0.00 0.00 31.60 32.38 1lxf h MET 81 CO -0.01 1.29 -0.23 0.28 1.07 0.00 0.00 176.91 179.32 1lxf h VAL 82 N 0.23 0.00 -0.18 -2.22 2.07 0.17 -2.58 116.25 113.74 1lxf h VAL 82 Ca -0.15 -0.56 -0.19 0.00 0.82 0.00 0.00 66.70 66.62 1lxf h VAL 82 Cb 1.85 1.41 0.01 0.00 -1.52 0.00 0.00 31.29 33.04 1lxf h VAL 82 CO 0.22 0.00 -0.63 0.03 0.02 0.00 0.00 177.57 177.21 1lxf h ARG 83 N 0.00 0.74 0.00 1.57 3.08 -0.18 -2.79 114.38 116.81 1lxf h ARG 83 Ca 0.00 -0.56 -0.04 0.00 0.07 0.00 0.00 59.98 59.45 1lxf h ARG 83 Cb 0.78 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 1lxf h ARG 83 CO 0.00 1.18 -0.43 0.00 -1.07 0.00 0.00 179.97 179.65 1lxf h MET 85 N -1.00 -0.03 -0.99 0.00 2.86 -1.63 1.61 114.93 115.76 1lxf h MET 85 Ca -0.06 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 57.09 1lxf h MET 85 Cb 0.55 0.01 -0.29 0.00 0.06 0.00 0.00 31.60 31.92 1lxf h MET 85 CO -0.04 -0.02 0.62 1.63 1.06 0.00 0.00 176.91 180.17 1lxf n LYS 86 N -5.50 2.30 0.00 1.72 5.02 -1.05 -4.55 118.16 116.11 1lxf n LYS 86 Ca 0.10 -2.94 0.00 0.00 -2.02 0.00 0.00 58.31 53.45 1lxf n LYS 86 Cb 0.39 -2.15 0.00 0.00 -0.02 0.00 0.00 35.03 33.25 1lxf n LYS 86 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1lxf n ASP 87 N -1.05 0.00 -4.94 4.39 8.00 0.24 -4.92 116.55 118.27 1lxf n ASP 87 Ca 0.57 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.83 1lxf n ASP 87 Cb 1.64 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 42.76 1lxf n ASP 87 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 1lxf s ASP 88 N 0.00 5.61 0.00 -2.24 1.47 0.48 -3.79 116.67 118.20 1lxf s ASP 88 Ca 0.00 0.40 0.00 0.00 1.18 0.00 0.00 52.55 54.13 1lxf s ASP 88 Cb 0.00 -1.47 0.00 0.00 -0.34 0.00 0.00 42.92 41.11 1lxf s ASP 88 CO 0.00 -0.94 0.00 -1.54 0.68 0.00 0.00 175.17 173.37