#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 1.10 0.01 7.83 -0.08 -1.26 -4.75 116.55 119.40 1lxf n ASP 2 Ca 0.00 -1.51 -0.22 0.00 -1.51 0.00 0.00 54.79 51.55 1lxf n ASP 2 Cb 0.00 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.32 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 0.42 -1.57 1.67 3.58 -2.07 -3.33 116.42 115.13 1lxf h ASP 3 Ca 0.00 -0.89 0.45 0.00 0.42 0.00 0.00 57.03 57.01 1lxf h ASP 3 Cb 0.64 -0.14 -0.06 0.00 1.72 0.00 0.00 39.33 41.50 1lxf h ASP 3 CO 0.00 1.77 1.20 0.16 -2.88 0.00 0.00 179.24 179.50 1lxf h ILE 4 N -0.09 0.13 0.06 2.25 -2.65 -2.02 1.99 117.51 117.18 1lxf h ILE 4 Ca -0.38 0.00 -0.27 0.00 1.03 0.00 0.00 64.86 65.24 1lxf h ILE 4 Cb 1.94 0.14 -0.02 0.00 -2.05 0.00 0.00 36.82 36.83 1lxf h ILE 4 CO 0.07 0.00 -1.38 1.88 0.03 0.00 0.00 178.15 178.76 1lxf h TYR 5 N 0.00 0.22 0.29 0.16 0.05 -1.91 -3.26 116.97 112.53 1lxf h TYR 5 Ca 0.74 -0.16 -0.00 0.00 0.05 0.00 0.00 58.73 59.36 1lxf h TYR 5 Cb 3.14 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 40.85 1lxf h TYR 5 CO 0.00 1.18 -0.40 0.87 -1.05 0.00 0.00 178.16 178.76 1lxf h LYS 6 N 0.03 -0.69 -0.43 4.88 1.79 0.31 2.34 116.57 124.80 1lxf h LYS 6 Ca -0.17 0.05 0.09 0.00 -2.18 0.00 0.00 60.65 58.44 1lxf h LYS 6 Cb 1.93 0.16 -0.09 0.00 -1.58 0.00 0.00 32.23 32.65 1lxf h LYS 6 CO 0.14 -0.46 -0.23 0.00 -1.08 0.00 0.00 179.45 177.82 1lxf h ALA 7 N -0.99 0.05 0.65 3.86 0.00 -1.66 1.79 119.26 122.96 1lxf h ALA 7 Ca -0.03 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1lxf h ALA 7 Cb 0.65 0.54 0.01 0.00 0.00 0.00 0.00 17.79 18.99 1lxf h ALA 7 CO -0.11 -0.59 -0.31 0.00 0.00 0.00 0.00 179.25 178.23 1lxf h ALA 8 N 1.09 -0.88 -0.23 0.00 0.00 -1.51 1.76 119.26 119.49 1lxf h ALA 8 Ca 0.20 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1lxf h ALA 8 Cb 0.47 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1lxf h ALA 8 CO -0.52 -0.98 0.19 0.28 0.00 0.00 0.00 179.25 178.23 1lxf h VAL 9 N -0.92 0.71 0.18 0.00 2.07 0.45 -0.22 116.25 118.52 1lxf h VAL 9 Ca -0.09 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.11 1lxf h VAL 9 Cb 0.69 0.86 0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1lxf h VAL 9 CO 0.15 0.00 -1.55 -0.33 0.02 0.00 0.00 177.57 175.86 1lxf h GLU 10 N 0.00 0.37 -0.18 1.57 4.39 0.34 -3.33 114.58 117.73 1lxf h GLU 10 Ca 0.11 -0.63 0.03 0.00 0.34 0.00 0.00 59.36 59.21 1lxf h GLU 10 Cb 0.50 0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 29.35 1lxf h GLU 10 CO -0.00 1.27 -0.01 1.96 -1.16 0.00 0.00 179.01 181.07 1lxf h GLN 11 N 0.10 0.05 -6.42 2.33 4.20 0.43 -3.42 115.11 112.38 1lxf h GLN 11 Ca -0.26 -0.00 -0.63 0.00 0.06 0.00 0.00 58.65 57.82 1lxf h GLN 11 Cb 2.08 -0.01 0.08 0.00 0.30 0.00 0.00 27.48 29.92 1lxf h GLN 11 CO 0.20 0.03 0.44 1.28 -0.67 0.00 0.00 178.83 180.12 1lxf n LEU 12 N -5.14 2.18 -4.97 1.46 4.77 -0.45 -4.97 117.00 109.88 1lxf n LEU 12 Ca -0.03 1.13 -0.23 0.00 -0.03 0.00 0.00 56.01 56.85 1lxf n LEU 12 Cb 0.10 -1.30 0.08 0.00 -2.33 0.00 0.00 43.42 39.98 1lxf n LEU 12 CO 0.27 -0.93 0.52 0.42 -1.33 0.00 0.00 177.39 176.34 1lxf s THR 13 N 0.02 2.33 0.57 -5.08 -4.23 -1.26 -4.91 115.64 103.07 1lxf s THR 13 Ca 0.73 -0.53 0.26 0.00 -1.18 0.00 0.00 61.69 60.98 1lxf s THR 13 Cb -0.78 -2.80 0.35 0.00 1.34 0.00 0.00 72.50 70.61 1lxf s THR 13 CO 0.50 0.00 2.14 1.05 -0.54 0.00 0.00 174.62 177.77 1lxf h GLU 14 N -0.40 0.00 0.00 3.99 4.11 -1.97 -1.95 114.58 118.36 1lxf h GLU 14 Ca -0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.03 1lxf h GLU 14 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1lxf h GLU 14 CO 0.48 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.95 1lxf n GLU 15 N -4.01 0.00 -0.35 1.06 1.02 -1.26 0.21 120.64 117.31 1lxf n GLU 15 Ca 0.00 0.50 0.15 0.00 -0.02 0.00 0.00 57.16 57.79 1lxf n GLU 15 Cb 0.24 -1.44 0.35 0.00 -0.02 0.00 0.00 31.44 30.57 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 0.68 -0.64 3.49 -0.00 -1.90 0.40 115.11 117.13 1lxf h GLN 16 Ca 0.00 -0.04 0.06 0.00 -0.00 0.00 0.00 58.65 58.67 1lxf h GLN 16 Cb 0.00 -0.15 -0.06 0.00 -0.00 0.00 0.00 27.48 27.27 1lxf h GLN 16 CO 0.00 0.45 0.34 -0.22 -0.00 0.00 0.00 178.83 179.39 1lxf h LYS 17 N 0.70 0.60 0.37 0.06 1.63 -1.10 -0.46 116.57 118.36 1lxf h LYS 17 Ca 0.60 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 60.35 1lxf h LYS 17 Cb 1.02 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.51 1lxf h LYS 17 CO -0.42 0.40 -0.29 -0.91 -3.45 0.00 0.00 179.45 174.78 1lxf h ASN 18 N 0.62 -0.76 -1.20 4.20 2.35 0.42 0.35 115.58 121.55 1lxf h ASN 18 Ca 0.29 0.05 0.35 0.00 -0.55 0.00 0.00 56.30 56.44 1lxf h ASN 18 Cb 0.22 0.24 -0.05 0.00 0.05 0.00 0.00 38.32 38.78 1lxf h ASN 18 CO -0.20 -0.41 0.86 1.05 -1.65 0.00 0.00 177.43 177.08 1lxf h GLU 19 N -0.63 0.01 0.45 0.81 4.11 -1.23 0.20 114.58 118.30 1lxf h GLU 19 Ca -0.05 -0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.36 1lxf h GLU 19 Cb 0.53 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1lxf h GLU 19 CO 0.01 0.01 -0.22 0.35 0.07 0.00 0.00 179.01 179.23 1lxf h PHE 20 N 0.01 -0.57 -1.09 2.06 3.04 0.10 -3.19 116.94 117.30 1lxf h PHE 20 Ca 0.57 -0.01 0.30 0.00 3.98 0.00 0.00 57.97 62.81 1lxf h PHE 20 Cb 2.28 0.19 -0.10 0.00 2.56 0.00 0.00 35.95 40.88 1lxf h PHE 20 CO -0.00 -0.32 0.71 0.87 -2.02 0.00 0.00 178.31 177.54 1lxf h LYS 21 N -1.14 0.31 -0.95 1.11 1.57 0.16 0.20 116.57 117.83 1lxf h LYS 21 Ca -0.06 -0.02 0.28 0.00 -1.87 0.00 0.00 60.65 58.98 1lxf h LYS 21 Cb 0.50 -0.07 -0.17 0.00 0.08 0.00 0.00 32.23 32.57 1lxf h LYS 21 CO 0.10 0.20 0.21 0.00 -0.57 0.00 0.00 179.45 179.40 1lxf h ALA 22 N 1.61 1.40 -0.21 3.86 0.00 -1.18 1.25 119.26 125.99 1lxf h ALA 22 Ca 0.64 0.28 -0.18 0.00 0.00 0.00 0.00 54.91 55.65 1lxf h ALA 22 Cb 1.73 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 19.95 1lxf h ALA 22 CO -0.31 -0.60 -0.59 0.00 0.00 0.00 0.00 179.25 177.75 1lxf h ALA 23 N 1.90 0.56 -0.84 0.00 0.00 -0.73 -2.87 119.26 117.27 1lxf h ALA 23 Ca 0.63 -0.53 0.23 0.00 0.00 0.00 0.00 54.91 55.24 1lxf h ALA 23 Cb 1.37 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 1lxf h ALA 23 CO -0.78 0.69 0.60 0.74 0.00 0.00 0.00 179.25 180.50 1lxf h PHE 24 N 0.52 0.09 0.00 0.00 -1.00 0.16 2.43 116.94 119.15 1lxf h PHE 24 Ca 0.00 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.69 1lxf h PHE 24 Cb 1.17 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 40.69 1lxf h PHE 24 CO 0.06 0.02 -0.43 -0.44 -1.61 0.00 0.00 178.31 175.91 1lxf h ASP 25 N 0.07 0.00 0.03 2.17 5.19 -1.01 -2.46 116.42 120.41 1lxf h ASP 25 Ca 0.41 0.00 -0.38 0.00 -0.62 0.00 0.00 57.03 56.43 1lxf h ASP 25 Cb 1.51 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.97 1lxf h ASP 25 CO -0.04 0.43 -2.24 -0.38 -3.12 0.00 0.00 179.24 173.90 1lxf n ILE 26 N -3.69 1.57 -0.17 0.35 -0.00 0.38 -2.30 119.36 115.50 1lxf n ILE 26 Ca -0.01 -0.48 -0.02 0.00 -0.00 0.00 0.00 62.75 62.24 1lxf n ILE 26 Cb 0.51 -1.67 0.06 0.00 -0.00 0.00 0.00 39.64 38.54 1lxf n ILE 26 CO 0.00 0.00 0.00 -0.26 -0.00 0.00 0.00 176.55 176.29 1lxf h PHE 27 N -0.33 -0.14 -0.59 1.39 -1.00 0.35 -0.94 116.94 115.68 1lxf h PHE 27 Ca -0.55 0.04 -0.38 0.00 2.81 0.00 0.00 57.97 59.89 1lxf h PHE 27 Cb 1.80 0.14 -0.24 0.00 3.61 0.00 0.00 35.95 41.26 1lxf h PHE 27 CO 0.02 -0.17 -0.17 1.33 -1.61 0.00 0.00 178.31 177.70 1lxf n VAL 28 N -5.30 2.73 0.27 -0.55 0.24 -0.93 -4.29 118.33 110.50 1lxf n VAL 28 Ca 0.06 -3.28 0.18 0.00 -2.04 0.00 0.00 64.34 59.25 1lxf n VAL 28 Cb 0.29 -0.73 0.94 0.00 -1.47 0.00 0.00 33.84 32.87 1lxf n VAL 28 CO 0.00 0.00 0.00 0.17 -2.14 0.00 0.00 176.83 174.86 1lxf h LEU 29 N 1.55 0.00 -5.19 1.34 8.10 -0.74 -2.71 115.31 117.67 1lxf h LEU 29 Ca 0.33 0.00 -0.30 0.00 0.11 0.00 0.00 57.88 58.02 1lxf h LEU 29 Cb 1.47 0.00 -0.39 0.00 -0.44 0.00 0.00 40.66 41.29 1lxf h LEU 29 CO 0.71 0.00 -1.14 0.61 -4.11 0.00 0.00 178.44 174.51 1lxf n GLY 30 N -1.10 1.63 2.06 0.17 0.00 -1.26 -5.01 105.19 101.68 1lxf n GLY 30 Ca -0.02 -1.16 -0.13 0.00 0.00 0.00 0.00 46.02 44.71 1lxf n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lxf n ALA 31 N -0.32 0.53 -0.04 4.61 0.00 -1.02 -5.05 120.51 119.21 1lxf n ALA 31 Ca 0.08 -1.16 0.03 0.00 0.00 0.00 0.00 53.44 52.39 1lxf n ALA 31 Cb 0.81 0.42 -0.17 0.00 0.00 0.00 0.00 19.45 20.52 1lxf n ALA 31 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1lxf n GLU 32 N -1.36 0.67 0.00 0.00 2.13 -1.26 -4.97 120.64 115.86 1lxf n GLU 32 Ca 0.02 -0.13 0.00 0.00 0.66 0.00 0.00 57.16 57.71 1lxf n GLU 32 Cb 0.33 -1.52 0.00 0.00 0.27 0.00 0.00 31.44 30.52 1lxf n GLU 32 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1lxf n ASP 33 N -2.44 0.00 -2.68 4.31 5.68 -1.26 -5.07 116.55 115.10 1lxf n ASP 33 Ca -0.15 0.00 -0.06 0.00 -0.50 0.00 0.00 54.79 54.08 1lxf n ASP 33 Cb 0.78 0.00 0.10 0.00 -1.14 0.00 0.00 41.12 40.86 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 0.00 1.05 3.27 6.12 0.00 -1.26 -5.06 105.19 109.30 1lxf n GLY 34 Ca 0.00 -0.11 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.81 5.25 0.40 0.00 1.01 0.14 -4.66 121.20 122.53 1lxf s ILE 36 Ca 0.08 0.71 0.08 0.00 0.00 0.00 0.00 60.65 61.52 1lxf s ILE 36 Cb -0.09 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 1lxf s ILE 36 CO 0.02 0.38 0.25 -0.55 0.00 0.00 0.00 174.94 175.04 1lxf s SER 37 N 0.38 4.71 0.38 3.58 0.15 -1.26 -0.02 113.70 121.63 1lxf s SER 37 Ca 0.20 -0.89 0.15 0.00 0.70 0.00 0.00 55.95 56.11 1lxf s SER 37 Cb -0.14 -0.57 0.77 0.00 -1.71 0.00 0.00 66.02 64.38 1lxf s SER 37 CO 0.07 -0.54 1.82 0.71 1.20 0.00 0.00 173.24 176.50 1lxf h THR 38 N 1.30 1.12 0.00 6.45 1.35 -1.89 -1.22 112.91 120.02 1lxf h THR 38 Ca -0.42 -1.31 0.00 0.00 -0.55 0.00 0.00 66.41 64.13 1lxf h THR 38 Cb 1.26 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 69.41 1lxf h THR 38 CO 0.64 0.36 -0.81 0.11 -0.25 0.00 0.00 175.52 175.57 1lxf h LYS 39 N 0.00 0.00 0.00 4.72 1.57 -1.94 -3.34 116.57 117.58 1lxf h LYS 39 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1lxf h LYS 39 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1lxf h LYS 39 CO 0.05 0.00 -0.06 0.93 -0.57 0.00 0.00 179.45 179.80 1lxf h GLU 40 N 0.00 0.00 -1.49 3.15 4.39 -1.79 -3.36 114.58 115.48 1lxf h GLU 40 Ca 0.00 0.00 0.43 0.00 0.34 0.00 0.00 59.36 60.13 1lxf h GLU 40 Cb 1.00 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.59 1lxf h GLU 40 CO 0.00 0.00 1.27 1.25 -1.16 0.00 0.00 179.01 180.37 1lxf h LEU 41 N -0.26 0.00 -2.00 1.33 5.85 -1.42 2.10 115.31 120.92 1lxf h LEU 41 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1lxf h LEU 41 Cb 0.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1lxf h LEU 41 CO 0.00 0.00 0.00 1.23 -0.34 0.00 0.00 178.44 179.33 1lxf h GLY 42 N 0.00 0.00 0.16 3.75 0.00 -1.70 -2.79 103.07 102.49 1lxf h GLY 42 Ca 0.71 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 48.04 1lxf h GLY 42 CO -0.01 0.00 -0.03 0.50 0.00 0.00 0.00 176.54 177.01 1lxf h LYS 43 N 0.00 -0.07 0.08 4.80 1.57 0.33 -3.25 116.57 120.03 1lxf h LYS 43 Ca 0.00 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1lxf h LYS 43 Cb 0.17 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 1lxf h LYS 43 CO 0.00 0.49 -0.31 0.28 -0.57 0.00 0.00 179.45 179.34 1lxf h VAL 44 N -0.92 0.32 -0.94 0.50 2.07 -1.62 -1.58 116.25 114.09 1lxf h VAL 44 Ca -0.01 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.63 1lxf h VAL 44 Cb 0.60 0.32 -0.13 0.00 -1.52 0.00 0.00 31.29 30.56 1lxf h VAL 44 CO 0.01 0.00 -0.44 0.23 0.02 0.00 0.00 177.57 177.39 1lxf n MET 45 N -5.41 -0.30 -0.07 1.57 2.81 -1.07 0.18 117.12 114.83 1lxf n MET 45 Ca -0.06 1.43 0.04 0.00 -1.81 0.00 0.00 57.70 57.29 1lxf n MET 45 Cb 0.32 -2.11 0.38 0.00 -0.71 0.00 0.00 33.22 31.10 1lxf n MET 45 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1lxf h ARG 46 N 0.00 0.66 -0.01 0.03 3.08 0.51 0.12 114.38 118.76 1lxf h ARG 46 Ca 0.25 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.19 1lxf h ARG 46 Cb 0.49 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1lxf h ARG 46 CO -0.91 0.43 -0.33 0.52 -1.07 0.00 0.00 179.97 178.62 1lxf h MET 47 N 0.68 0.02 0.00 0.04 2.86 0.29 -3.35 114.93 115.46 1lxf h MET 47 Ca 0.20 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1lxf h MET 47 Cb -0.04 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.62 1lxf h MET 47 CO -0.04 0.35 0.00 1.28 1.06 0.00 0.00 176.91 179.55 1lxf n LEU 48 N -4.14 0.62 -0.86 1.22 4.77 0.34 -4.98 117.00 113.96 1lxf n LEU 48 Ca -0.02 0.29 -0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1lxf n LEU 48 Cb 0.37 -0.37 -0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1lxf n LEU 48 CO 0.38 -0.37 0.09 0.61 -1.33 0.00 0.00 177.39 176.78 1lxf n GLY 49 N 2.05 -0.64 3.08 -0.72 0.00 -0.51 -5.11 105.19 103.35 1lxf n GLY 49 Ca 0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.27 -0.66 1.61 -1.52 -0.09 -5.00 119.66 114.28 1lxf s GLN 50 Ca 0.00 0.15 0.05 0.00 -1.95 0.00 0.00 55.36 53.61 1lxf s GLN 50 Cb 0.00 0.13 0.20 0.00 -0.22 0.00 0.00 33.01 33.12 1lxf s GLN 50 CO -0.00 -0.04 0.56 -1.71 -0.25 0.00 0.00 175.29 173.85 1lxf n ASN 51 N 2.70 2.92 -4.90 5.90 4.05 -1.26 0.53 115.26 125.19 1lxf n ASN 51 Ca -0.14 -3.21 -0.29 0.00 0.45 0.00 0.00 54.58 51.39 1lxf n ASN 51 Cb 0.58 -0.71 0.05 0.00 1.23 0.00 0.00 39.78 40.93 1lxf n ASN 51 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1lxf s PRO 52 N -1.67 2.71 0.50 1.20 0.04 -1.26 -5.04 135.00 131.48 1lxf s PRO 52 Ca 0.30 0.24 0.08 0.00 0.04 0.00 0.00 61.00 61.67 1lxf s PRO 52 Cb 0.03 -2.09 0.05 0.00 0.04 0.00 0.00 34.50 32.53 1lxf s PRO 52 CO -0.12 -1.03 0.69 0.95 0.04 0.00 0.00 177.00 177.52 1lxf s THR 53 N -3.28 2.59 -0.36 1.26 -4.23 -1.26 -4.94 115.64 105.42 1lxf s THR 53 Ca 0.58 -0.97 0.25 0.00 -1.18 0.00 0.00 61.69 60.37 1lxf s THR 53 Cb -0.11 -2.63 0.35 0.00 1.34 0.00 0.00 72.50 71.45 1lxf s THR 53 CO 0.49 0.00 1.69 1.55 -0.54 0.00 0.00 174.62 177.81 1lxf h PRO 54 N 0.37 0.00 0.12 3.99 0.13 -1.98 -2.23 132.00 132.40 1lxf h PRO 54 Ca -0.36 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.46 1lxf h PRO 54 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1lxf h PRO 54 CO 0.43 0.00 -1.60 0.93 -0.23 0.00 0.00 178.00 177.54 1lxf h GLU 55 N 0.00 0.25 -0.11 0.86 4.39 -1.95 -3.15 114.58 114.87 1lxf h GLU 55 Ca 0.00 -0.43 -0.22 0.00 0.34 0.00 0.00 59.36 59.05 1lxf h GLU 55 Cb 0.89 0.16 0.01 0.00 -0.10 0.00 0.00 28.75 29.71 1lxf h GLU 55 CO 0.00 1.11 -0.81 0.93 -1.16 0.00 0.00 179.01 179.08 1lxf h GLU 56 N 0.07 0.68 -0.91 2.33 4.39 -1.96 -3.18 114.58 116.00 1lxf h GLU 56 Ca -0.27 -0.58 -0.00 0.00 0.34 0.00 0.00 59.36 58.85 1lxf h GLU 56 Cb 2.03 0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 30.76 1lxf h GLU 56 CO 0.15 1.19 0.57 -0.07 -1.16 0.00 0.00 179.01 179.69 1lxf h LEU 57 N 0.45 1.08 -0.85 1.33 3.38 -1.53 -2.37 115.31 116.79 1lxf h LEU 57 Ca -0.06 -0.05 0.21 0.00 0.09 0.00 0.00 57.88 58.07 1lxf h LEU 57 Cb 1.43 -0.27 -0.15 0.00 0.09 0.00 0.00 40.66 41.76 1lxf h LEU 57 CO 0.16 0.81 0.07 -0.61 0.09 0.00 0.00 178.44 178.96 1lxf h GLN 58 N 1.25 0.11 -0.30 1.13 5.75 -1.52 2.14 115.11 123.68 1lxf h GLN 58 Ca 0.33 -0.01 0.09 0.00 -0.15 0.00 0.00 58.65 58.91 1lxf h GLN 58 Cb -0.09 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.43 1lxf h GLN 58 CO -0.07 0.07 0.27 1.49 -2.65 0.00 0.00 178.83 177.95 1lxf h GLU 59 N 0.11 0.00 -0.15 1.69 4.57 -1.53 0.30 114.58 119.57 1lxf h GLU 59 Ca 0.50 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 58.45 1lxf h GLU 59 Cb 0.96 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.56 1lxf h GLU 59 CO -0.73 0.00 -0.79 0.52 -1.18 0.00 0.00 179.01 176.83 1lxf h MET 60 N 0.00 0.80 -0.09 1.92 2.86 0.34 -3.22 114.93 117.54 1lxf h MET 60 Ca 0.14 -0.66 -0.12 0.00 -2.06 0.00 0.00 59.70 57.00 1lxf h MET 60 Cb 0.68 0.14 0.01 0.00 0.06 0.00 0.00 31.60 32.49 1lxf h MET 60 CO -0.00 1.26 -0.42 0.82 1.06 0.00 0.00 176.91 179.63 1lxf h ILE 61 N 0.54 1.39 -0.55 -1.22 1.08 -0.21 -3.06 117.51 115.48 1lxf h ILE 61 Ca -0.06 -1.77 0.16 0.00 -0.39 0.00 0.00 64.86 62.80 1lxf h ILE 61 Cb 1.42 2.23 -0.02 0.00 -3.07 0.00 0.00 36.82 37.38 1lxf h ILE 61 CO 0.16 0.52 0.68 -0.78 -0.69 0.00 0.00 178.15 178.05 1lxf h ASP 62 N 0.02 0.00 1.38 1.72 3.58 -0.60 2.24 116.42 124.77 1lxf h ASP 62 Ca -0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1lxf h ASP 62 Cb 1.06 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.11 1lxf h ASP 62 CO 0.09 0.00 0.00 -0.62 -2.88 0.00 0.00 179.24 175.83 1lxf n GLU 63 N -3.45 0.26 0.00 0.28 1.02 -1.16 -3.78 120.64 113.82 1lxf n GLU 63 Ca 0.11 0.25 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 1lxf n GLU 63 Cb 0.88 -1.83 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 1lxf n GLU 63 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1lxf n VAL 64 N -2.29 0.00 -2.22 2.62 0.24 0.63 -4.85 118.33 112.47 1lxf n VAL 64 Ca 0.05 -0.16 -0.42 0.00 -2.04 0.00 0.00 64.34 61.78 1lxf n VAL 64 Cb 0.40 0.64 0.00 0.00 -1.47 0.00 0.00 33.84 33.41 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 -1.00 6.34 0.13 -1.34 9.92 0.54 -4.57 116.55 126.57 1lxf n ASP 65 Ca 0.00 -3.14 0.12 0.00 -0.53 0.00 0.00 54.79 51.24 1lxf n ASP 65 Cb 0.00 -1.42 0.15 0.00 -0.64 0.00 0.00 41.12 39.21 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 5.26 0.00 0.00 -1.24 5.08 -1.84 -3.26 114.58 118.58 1lxf h GLU 66 Ca 0.51 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.66 1lxf h GLU 66 Cb 0.50 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 1lxf h GLU 66 CO 1.56 0.00 -1.10 0.38 -1.00 0.00 0.00 179.01 178.85 1lxf h ASP 67 N 0.00 0.00 0.00 1.42 2.03 -1.98 -3.48 116.42 114.41 1lxf h ASP 67 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1lxf h ASP 67 Cb 0.91 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.41 1lxf h ASP 67 CO 0.00 0.93 0.00 0.61 -1.03 0.00 0.00 179.24 179.75 1lxf n GLY 68 N 1.38 1.28 0.15 7.15 0.00 -1.23 -4.98 105.19 108.93 1lxf n GLY 68 Ca -0.03 -0.22 0.02 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 -0.00 1.61 4.64 -1.93 -3.47 113.55 114.40 1lxf h SER 69 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1lxf h SER 69 Cb 0.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1lxf h SER 69 CO 0.00 0.54 -0.00 0.61 -0.87 0.00 0.00 176.83 177.11 1lxf n GLY 70 N 0.68 0.48 3.45 -0.77 0.00 -1.26 -5.00 105.19 102.78 1lxf n GLY 70 Ca 0.00 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 1lxf n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1lxf s THR 71 N -1.97 0.00 -0.51 2.61 -4.23 -1.26 -4.69 115.64 105.59 1lxf s THR 71 Ca 0.00 -1.63 0.03 0.00 -1.18 0.00 0.00 61.69 58.92 1lxf s THR 71 Cb 0.00 -2.41 0.14 0.00 1.34 0.00 0.00 72.50 71.57 1lxf s THR 71 CO 0.00 0.00 0.29 -0.69 -0.54 0.00 0.00 174.62 173.68 1lxf s VAL 72 N -3.78 2.14 0.08 2.29 1.01 0.97 -4.73 120.40 118.38 1lxf s VAL 72 Ca 0.29 -3.16 -0.01 0.00 0.00 0.00 0.00 61.98 59.10 1lxf s VAL 72 Cb 0.01 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.94 1lxf s VAL 72 CO 0.13 -0.87 0.04 -0.90 0.00 0.00 0.00 175.10 173.50 1lxf n ASP 73 N 3.10 -1.67 0.01 3.32 5.68 -1.26 0.28 116.55 126.01 1lxf n ASP 73 Ca 0.09 -0.04 0.08 0.00 -0.50 0.00 0.00 54.79 54.42 1lxf n ASP 73 Cb 0.34 -0.06 0.36 0.00 -1.14 0.00 0.00 41.12 40.62 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 -2.92 0.08 0.00 2.11 -0.00 -0.51 -2.87 117.46 113.35 1lxf n PHE 74 Ca 0.01 0.03 0.00 0.00 -0.00 0.00 0.00 57.45 57.49 1lxf n PHE 74 Cb 0.03 -0.55 0.00 0.00 -0.00 0.00 0.00 39.48 38.96 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 -1.57 0.00 -0.27 -2.13 8.00 -1.26 -3.84 116.55 115.47 1lxf n ASP 75 Ca 0.04 0.00 0.32 0.00 0.71 0.00 0.00 54.79 55.86 1lxf n ASP 75 Cb 0.20 0.00 0.57 0.00 -0.02 0.00 0.00 41.12 41.86 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 0.00 0.00 -1.24 4.11 -1.91 -1.90 114.58 113.64 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 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1lxf h GLU 76 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 179.01 179.42 1lxf n PHE 77 N -3.48 0.00 -0.60 2.06 7.35 -1.14 -2.32 117.46 119.33 1lxf n PHE 77 Ca 0.25 0.00 0.47 0.00 -0.76 0.00 0.00 57.45 57.42 1lxf n PHE 77 Cb 1.49 -0.20 0.78 0.00 0.35 0.00 0.00 39.48 41.90 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 0.05 0.11 -2.13 3.38 -1.46 -1.01 115.31 114.25 1lxf h LEU 78 Ca 0.00 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1lxf h LEU 78 Cb 0.00 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1lxf h LEU 78 CO 0.00 -0.04 -0.05 0.58 0.09 0.00 0.00 178.44 179.02 1lxf h VAL 79 N 0.02 0.00 -1.45 1.22 2.07 -1.42 -1.74 116.25 114.94 1lxf h VAL 79 Ca 0.86 -0.01 0.45 0.00 0.82 0.00 0.00 66.70 68.81 1lxf h VAL 79 Cb 3.30 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 32.99 1lxf h VAL 79 CO -0.10 0.00 1.01 0.80 0.02 0.00 0.00 177.57 179.30 1lxf n MET 80 N -2.42 -0.01 -0.02 1.57 0.00 -0.39 0.19 117.12 116.04 1lxf n MET 80 Ca -0.02 0.97 -0.16 0.00 -0.00 0.00 0.00 57.70 58.49 1lxf n MET 80 Cb 0.06 -2.09 -0.11 0.00 0.00 0.00 0.00 33.22 31.08 1lxf n MET 80 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 175.97 176.49 1lxf h MET 81 N 0.00 0.26 0.76 2.12 2.07 -1.39 -3.22 114.93 115.51 1lxf h MET 81 Ca 0.77 -0.27 -0.04 0.00 -2.07 0.00 0.00 59.70 58.10 1lxf h MET 81 Cb 2.84 0.07 0.01 0.00 -1.87 0.00 0.00 31.60 32.66 1lxf h MET 81 CO -0.17 0.97 -0.36 0.28 1.07 0.00 0.00 176.91 178.70 1lxf h VAL 82 N -0.36 0.00 -1.06 -2.22 2.07 0.30 -2.37 116.25 112.62 1lxf h VAL 82 Ca -0.04 -0.06 0.31 0.00 0.82 0.00 0.00 66.70 67.72 1lxf h VAL 82 Cb 1.09 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 1lxf h VAL 82 CO 0.07 0.00 1.07 0.08 0.02 0.00 0.00 177.57 178.81 1lxf h ARG 83 N -1.08 0.00 0.10 1.57 0.11 -1.41 2.07 114.38 115.73 1lxf h ARG 83 Ca -0.10 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 59.72 1lxf h ARG 83 Cb 0.78 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.86 1lxf h ARG 83 CO 0.17 0.00 -1.17 0.00 0.10 0.00 0.00 179.97 179.08 1lxf h MET 85 N 0.08 0.00 0.00 0.00 2.86 0.38 0.11 114.93 118.37 1lxf h MET 85 Ca -0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1lxf h MET 85 Cb 1.88 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.54 1lxf h MET 85 CO 0.19 0.00 -0.02 1.63 1.06 0.00 0.00 176.91 179.76 1lxf n LYS 86 N -2.95 0.02 -2.91 1.72 4.76 -1.14 -4.69 118.16 112.96 1lxf n LYS 86 Ca -0.03 0.23 -0.34 0.00 -2.87 0.00 0.00 58.31 55.31 1lxf n LYS 86 Cb 0.11 -0.76 -0.02 0.00 -1.84 0.00 0.00 35.03 32.52 1lxf n LYS 86 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1lxf n ASP 87 N -2.38 5.69 -4.06 4.39 9.92 -1.15 -5.06 116.55 123.88 1lxf n ASP 87 Ca -0.00 -3.62 -0.36 0.00 -0.53 0.00 0.00 54.79 50.27 1lxf n ASP 87 Cb 0.01 -0.89 0.06 0.00 -0.64 0.00 0.00 41.12 39.66 1lxf n ASP 87 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1lxf n ASP 88 N 0.18 -4.29 0.00 -2.24 8.00 0.39 -4.83 116.55 113.76 1lxf n ASP 88 Ca 0.36 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.97 1lxf n ASP 88 Cb 0.34 -0.73 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 1lxf n ASP 88 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57