#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lxf s ASP 2 N 0.00 4.94 0.01 7.83 1.01 -1.26 -4.82 116.67 124.38 1lxf s ASP 2 Ca 0.00 0.60 -0.25 0.00 0.71 0.00 0.00 52.55 53.61 1lxf s ASP 2 Cb 0.00 -2.52 -0.18 0.00 1.01 0.00 0.00 42.92 41.23 1lxf s ASP 2 CO 0.00 -2.59 1.41 0.44 0.21 0.00 0.00 175.17 174.64 1lxf h ASP 3 N 16.66 -0.03 -1.66 0.27 3.32 -2.07 -2.71 116.42 130.20 1lxf h ASP 3 Ca -0.25 -0.31 0.48 0.00 0.02 0.00 0.00 57.03 56.97 1lxf h ASP 3 Cb 1.20 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 40.69 1lxf h ASP 3 CO 1.20 0.30 1.28 0.16 -1.72 0.00 0.00 179.24 180.46 1lxf h ILE 4 N -0.36 0.07 0.04 0.35 -2.65 -2.03 1.76 117.51 114.68 1lxf h ILE 4 Ca -0.00 0.00 -0.29 0.00 1.03 0.00 0.00 64.86 65.59 1lxf h ILE 4 Cb 0.34 0.08 -0.04 0.00 -2.05 0.00 0.00 36.82 35.16 1lxf h ILE 4 CO 0.01 0.00 -1.62 1.88 0.03 0.00 0.00 178.15 178.45 1lxf h TYR 5 N 0.00 0.14 -0.59 0.16 -1.99 -1.89 -3.31 116.97 109.49 1lxf h TYR 5 Ca 0.79 -0.10 0.17 0.00 2.00 0.00 0.00 58.73 61.59 1lxf h TYR 5 Cb 3.35 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 42.05 1lxf h TYR 5 CO 0.00 1.17 0.71 0.87 -0.00 0.00 0.00 178.16 180.91 1lxf h LYS 6 N 0.02 0.00 0.07 4.88 1.79 0.30 0.58 116.57 124.21 1lxf h LYS 6 Ca -0.26 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.10 1lxf h LYS 6 Cb 1.98 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 32.64 1lxf h LYS 6 CO 0.10 0.00 -0.50 0.00 -1.08 0.00 0.00 179.45 177.98 1lxf h ALA 7 N 1.14 -0.01 -0.73 3.86 0.00 -1.62 -2.74 119.26 119.16 1lxf h ALA 7 Ca 0.28 -0.66 0.01 0.00 0.00 0.00 0.00 54.91 54.54 1lxf h ALA 7 Cb 1.69 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.56 1lxf h ALA 7 CO -0.00 0.25 0.48 0.00 0.00 0.00 0.00 179.25 179.98 1lxf h ALA 8 N 0.00 1.50 0.00 0.00 0.00 -0.16 0.30 119.26 120.89 1lxf h ALA 8 Ca -0.10 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1lxf h ALA 8 Cb 1.33 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1lxf h ALA 8 CO 0.05 0.46 -0.07 0.28 0.00 0.00 0.00 179.25 179.97 1lxf h VAL 9 N 0.97 0.16 0.04 0.00 2.07 -0.54 -3.19 116.25 115.77 1lxf h VAL 9 Ca 0.27 -0.83 -0.13 0.00 0.82 0.00 0.00 66.70 66.84 1lxf h VAL 9 Cb -0.09 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1lxf h VAL 9 CO -0.06 0.07 -0.66 -0.33 0.02 0.00 0.00 177.57 176.61 1lxf h GLU 10 N 0.00 0.08 -1.21 1.57 4.39 -0.53 -3.30 114.58 115.59 1lxf h GLU 10 Ca -0.00 -0.14 0.39 0.00 0.34 0.00 0.00 59.36 59.94 1lxf h GLU 10 Cb 0.71 0.05 -0.13 0.00 -0.10 0.00 0.00 28.75 29.28 1lxf h GLU 10 CO 0.01 1.07 0.76 1.96 -1.16 0.00 0.00 179.01 181.65 1lxf h GLN 11 N -0.79 0.16 -6.13 2.33 1.08 -0.53 -3.38 115.11 107.86 1lxf h GLN 11 Ca -0.16 -0.01 -0.59 0.00 -1.45 0.00 0.00 58.65 56.45 1lxf h GLN 11 Cb 1.29 -0.04 0.01 0.00 -0.05 0.00 0.00 27.48 28.69 1lxf h GLN 11 CO -0.02 0.11 1.36 1.28 -0.95 0.00 0.00 178.83 180.61 1lxf n LEU 12 N -4.76 3.41 -4.92 1.46 4.77 -1.21 -4.96 117.00 110.79 1lxf n LEU 12 Ca 0.34 0.52 -0.29 0.00 -0.03 0.00 0.00 56.01 56.56 1lxf n LEU 12 Cb 1.26 -1.49 0.12 0.00 -2.33 0.00 0.00 43.42 40.98 1lxf n LEU 12 CO 0.19 -0.36 0.79 0.42 -1.33 0.00 0.00 177.39 177.09 1lxf s THR 13 N 6.58 2.04 0.42 -5.08 -4.23 -1.26 -4.79 115.64 109.32 1lxf s THR 13 Ca 0.98 -0.06 0.29 0.00 -1.18 0.00 0.00 61.69 61.72 1lxf s THR 13 Cb -0.47 -2.98 0.29 0.00 1.34 0.00 0.00 72.50 70.68 1lxf s THR 13 CO 0.41 0.00 1.88 1.05 -0.54 0.00 0.00 174.62 177.42 1lxf h GLU 14 N -1.17 0.00 0.00 3.99 4.11 -1.95 -0.93 114.58 118.64 1lxf h GLU 14 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 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 0.55 0.00 0.00 0.39 0.07 0.00 0.00 179.01 180.02 1lxf n GLU 15 N -2.69 0.00 0.05 1.06 1.02 -1.26 -0.16 120.64 118.65 1lxf n GLU 15 Ca -0.02 0.40 0.15 0.00 -0.02 0.00 0.00 57.16 57.66 1lxf n GLU 15 Cb 0.24 -1.16 0.62 0.00 -0.02 0.00 0.00 31.44 31.12 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 0.11 -0.25 3.49 -0.00 -1.88 -0.64 115.11 115.94 1lxf h GLN 16 Ca 0.00 -0.01 -0.09 0.00 -0.00 0.00 0.00 58.65 58.55 1lxf h GLN 16 Cb 0.00 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.48 27.45 1lxf h GLN 16 CO 0.00 0.07 -0.20 -0.22 -0.00 0.00 0.00 178.83 178.48 1lxf h LYS 17 N 0.11 0.58 0.84 0.06 1.63 -1.23 -2.50 116.57 116.06 1lxf h LYS 17 Ca 0.19 -0.29 -0.04 0.00 -0.85 0.00 0.00 60.65 59.67 1lxf h LYS 17 Cb 0.61 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.25 1lxf h LYS 17 CO -0.02 0.87 -0.45 -0.91 -3.45 0.00 0.00 179.45 175.49 1lxf h ASN 18 N 0.29 -1.09 -1.16 4.20 2.35 0.95 0.98 115.58 122.10 1lxf h ASN 18 Ca 0.05 0.05 0.33 0.00 -0.55 0.00 0.00 56.30 56.18 1lxf h ASN 18 Cb 0.74 0.30 -0.05 0.00 0.05 0.00 0.00 38.32 39.36 1lxf h ASN 18 CO 0.05 -0.73 0.83 1.05 -1.65 0.00 0.00 177.43 176.98 1lxf h GLU 19 N -1.18 0.03 0.05 0.81 4.11 -1.42 0.57 114.58 117.54 1lxf h GLU 19 Ca -0.11 -0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.31 1lxf h GLU 19 Cb 0.92 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1lxf h GLU 19 CO 0.16 0.02 -0.02 0.35 0.07 0.00 0.00 179.01 179.59 1lxf h PHE 20 N 0.03 -0.06 -0.91 2.06 3.04 -0.86 -3.27 116.94 116.97 1lxf h PHE 20 Ca 0.56 -0.00 0.26 0.00 3.98 0.00 0.00 57.97 62.77 1lxf h PHE 20 Cb 2.17 0.02 -0.15 0.00 2.56 0.00 0.00 35.95 40.55 1lxf h PHE 20 CO -0.00 0.09 0.20 0.87 -2.02 0.00 0.00 178.31 177.44 1lxf h LYS 21 N -1.01 0.13 -0.42 1.11 1.57 0.22 0.52 116.57 118.70 1lxf h LYS 21 Ca -0.01 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.85 1lxf h LYS 21 Cb 0.17 -0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.36 1lxf h LYS 21 CO 0.01 0.09 -0.21 0.00 -0.57 0.00 0.00 179.45 178.77 1lxf h ALA 22 N 1.85 0.09 0.00 3.86 0.00 -1.06 0.79 119.26 124.79 1lxf h ALA 22 Ca 0.58 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.64 1lxf h ALA 22 Cb 1.22 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 19.51 1lxf h ALA 22 CO -0.73 -0.57 -0.01 0.00 0.00 0.00 0.00 179.25 177.94 1lxf h ALA 23 N 1.14 1.04 -0.10 0.00 0.00 -0.05 -1.01 119.26 120.28 1lxf h ALA 23 Ca 0.20 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1lxf h ALA 23 Cb 0.44 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1lxf h ALA 23 CO -0.50 0.01 -0.39 0.35 0.00 0.00 0.00 179.25 178.72 1lxf h PHE 24 N 0.00 0.26 0.00 0.00 3.04 0.17 -1.04 116.94 119.37 1lxf h PHE 24 Ca -0.00 -0.07 0.00 0.00 3.98 0.00 0.00 57.97 61.88 1lxf h PHE 24 Cb 0.16 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.62 1lxf h PHE 24 CO 0.00 0.59 0.00 -0.25 -2.02 0.00 0.00 178.31 176.63 1lxf n ASP 25 N -4.04 0.00 -0.08 0.41 8.00 -0.38 -2.77 116.55 117.68 1lxf n ASP 25 Ca -0.01 -0.85 -0.11 0.00 0.71 0.00 0.00 54.79 54.52 1lxf n ASP 25 Cb 0.46 -0.03 -0.08 0.00 -0.02 0.00 0.00 41.12 41.46 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 -1.03 0.98 0.26 0.53 2.08 -0.64 -2.56 119.36 118.98 1lxf n ILE 26 Ca 0.21 -0.40 0.12 0.00 0.56 0.00 0.00 62.75 63.25 1lxf n ILE 26 Cb 0.11 -1.06 0.71 0.00 -0.75 0.00 0.00 39.64 38.65 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 0.00 0.00 -0.50 1.39 -1.00 -1.20 -2.98 116.94 112.64 1lxf h PHE 27 Ca -0.38 0.00 -0.29 0.00 2.81 0.00 0.00 57.97 60.11 1lxf h PHE 27 Cb 1.62 0.00 -0.40 0.00 3.61 0.00 0.00 35.95 40.78 1lxf h PHE 27 CO 0.02 0.12 -1.08 1.33 -1.61 0.00 0.00 178.31 177.09 1lxf n VAL 28 N -3.69 1.45 0.43 -0.55 0.24 -1.12 -4.11 118.33 110.98 1lxf n VAL 28 Ca -0.02 -3.12 0.05 0.00 -2.04 0.00 0.00 64.34 59.21 1lxf n VAL 28 Cb 0.24 0.92 0.25 0.00 -1.47 0.00 0.00 33.84 33.78 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 -0.60 0.00 0.00 1.34 -0.00 -1.06 -2.81 117.00 113.87 1lxf n LEU 29 Ca 0.13 0.41 0.00 0.00 -0.00 0.00 0.00 56.01 56.55 1lxf n LEU 29 Cb 0.82 -0.41 0.00 0.00 -0.00 0.00 0.00 43.42 43.83 1lxf n LEU 29 CO 0.13 -0.26 -0.48 0.61 -0.00 0.00 0.00 177.39 177.39 1lxf n GLY 30 N -0.37 0.00 3.31 1.47 0.00 -1.26 -5.02 105.19 103.32 1lxf n GLY 30 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.94 -4.15 -0.78 4.61 0.00 -1.13 -5.03 120.51 112.09 1lxf n ALA 31 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 53.44 51.83 1lxf n ALA 31 Cb 0.48 -1.73 0.00 0.00 0.00 0.00 0.00 19.45 18.19 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 -5.24 0.00 0.00 0.00 0.00 -1.26 -4.89 120.64 109.25 1lxf n GLU 32 Ca 0.08 0.05 0.00 0.00 0.00 0.00 0.00 57.16 57.29 1lxf n GLU 32 Cb 0.57 -0.32 0.00 0.00 0.00 0.00 0.00 31.44 31.69 1lxf n GLU 32 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1lxf n ASP 33 N -1.33 0.00 -2.43 4.31 5.75 -1.26 -4.95 116.55 116.64 1lxf n ASP 33 Ca 0.00 0.03 -0.03 0.00 -0.01 0.00 0.00 54.79 54.78 1lxf n ASP 33 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1lxf n ASP 33 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lxf n GLY 34 N 0.51 -0.49 3.87 6.12 0.00 -1.26 -5.06 105.19 108.88 1lxf n GLY 34 Ca 0.00 -0.03 -0.34 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 -1.21 4.21 0.33 0.00 1.01 0.21 -4.62 121.20 121.13 1lxf s ILE 36 Ca 0.23 -0.49 0.06 0.00 0.00 0.00 0.00 60.65 60.45 1lxf s ILE 36 Cb -0.12 -3.11 -0.01 0.00 0.01 0.00 0.00 42.46 39.23 1lxf s ILE 36 CO 0.13 0.15 0.47 -0.55 0.00 0.00 0.00 174.94 175.14 1lxf s SER 37 N 1.56 5.99 0.64 3.58 0.15 -1.26 -1.42 113.70 122.93 1lxf s SER 37 Ca 0.04 -0.16 0.37 0.00 0.70 0.00 0.00 55.95 56.90 1lxf s SER 37 Cb -0.17 -1.27 2.06 0.00 -1.71 0.00 0.00 66.02 64.93 1lxf s SER 37 CO 0.04 -0.42 2.24 0.71 1.20 0.00 0.00 173.24 177.01 1lxf h THR 38 N 0.89 0.21 0.00 6.45 1.35 -1.89 -2.45 112.91 117.48 1lxf h THR 38 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1lxf h THR 38 Cb 1.25 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 1lxf h THR 38 CO 0.53 0.00 -0.03 0.50 -0.25 0.00 0.00 175.52 176.27 1lxf h LYS 39 N 0.00 0.00 -0.40 4.72 3.64 -1.93 -3.32 116.57 119.27 1lxf h LYS 39 Ca 0.01 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1lxf h LYS 39 Cb 0.17 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.94 1lxf h LYS 39 CO -0.00 0.00 -0.25 0.93 -2.27 0.00 0.00 179.45 177.86 1lxf h GLU 40 N -0.28 -0.02 -0.77 1.90 4.39 -1.83 -0.64 114.58 117.32 1lxf h GLU 40 Ca 0.00 0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.80 1lxf h GLU 40 Cb 0.03 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 28.57 1lxf h GLU 40 CO 0.00 -0.01 -0.36 -0.11 -1.16 0.00 0.00 179.01 177.37 1lxf n LEU 41 N -3.95 -0.62 -0.53 1.33 7.94 -0.93 0.18 117.00 120.42 1lxf n LEU 41 Ca 0.01 1.36 0.43 0.00 -1.11 0.00 0.00 56.01 56.69 1lxf n LEU 41 Cb 0.11 -0.26 0.69 0.00 0.53 0.00 0.00 43.42 44.50 1lxf n LEU 41 CO -0.06 -1.18 1.25 0.61 -1.11 0.00 0.00 177.39 176.90 1lxf n GLY 42 N -1.30 -0.85 0.12 -3.96 0.00 -0.25 0.84 105.19 99.79 1lxf n GLY 42 Ca 0.06 0.70 -0.13 0.00 0.00 0.00 0.00 46.02 46.65 1lxf n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1lxf h LYS 43 N 0.00 -0.20 0.54 1.61 1.57 0.18 -2.73 116.57 117.54 1lxf h LYS 43 Ca 0.86 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.64 1lxf h LYS 43 Cb 3.01 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 35.35 1lxf h LYS 43 CO -0.30 0.09 -0.46 0.28 -0.57 0.00 0.00 179.45 178.48 1lxf h VAL 44 N -0.49 0.00 -0.97 0.50 2.07 0.41 -2.56 116.25 115.21 1lxf h VAL 44 Ca -0.02 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.71 1lxf h VAL 44 Cb 0.38 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 29.97 1lxf h VAL 44 CO 0.04 0.00 -0.17 0.24 0.02 0.00 0.00 177.57 177.70 1lxf h MET 45 N -0.98 0.00 -0.24 1.57 2.86 -1.50 2.02 114.93 118.67 1lxf h MET 45 Ca -0.07 -0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.64 1lxf h MET 45 Cb 0.83 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 1lxf h MET 45 CO -0.02 0.00 0.20 0.00 1.06 0.00 0.00 176.91 178.15 1lxf h ARG 46 N 0.00 0.00 -0.22 1.72 3.08 -1.04 0.26 114.38 118.17 1lxf h ARG 46 Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.55 1lxf h ARG 46 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.89 1lxf h ARG 46 CO -0.97 0.00 0.00 -1.33 -1.07 0.00 0.00 179.97 176.60 1lxf n MET 47 N -4.22 1.37 0.00 0.04 2.81 0.68 -4.41 117.12 113.40 1lxf n MET 47 Ca 0.03 -0.52 0.00 0.00 -1.81 0.00 0.00 57.70 55.40 1lxf n MET 47 Cb 0.34 -1.17 0.00 0.00 -0.71 0.00 0.00 33.22 31.69 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 -0.07 0.00 -1.09 4.03 4.32 0.89 -5.04 117.00 120.04 1lxf n LEU 48 Ca 0.05 0.00 -0.03 0.00 -0.02 0.00 0.00 56.01 56.01 1lxf n LEU 48 Cb 0.15 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 41.94 1lxf n LEU 48 CO 0.04 0.00 0.25 0.61 -1.22 0.00 0.00 177.39 177.07 1lxf n GLY 49 N 3.66 0.17 3.58 -0.72 0.00 -1.16 -5.14 105.19 105.58 1lxf n GLY 49 Ca 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 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 0.02 0.86 -0.76 1.61 -1.52 -1.22 -5.08 119.66 113.57 1lxf s GLN 50 Ca 0.01 0.80 0.01 0.00 -1.95 0.00 0.00 55.36 54.24 1lxf s GLN 50 Cb 0.06 0.42 0.19 0.00 -0.22 0.00 0.00 33.01 33.45 1lxf s GLN 50 CO -0.02 -0.15 0.59 1.21 -0.25 0.00 0.00 175.29 176.68 1lxf s ASN 51 N 0.02 5.33 0.73 5.90 2.47 -1.26 -2.15 114.94 125.98 1lxf s ASN 51 Ca -0.02 -3.65 -0.11 0.00 0.42 0.00 0.00 52.86 49.50 1lxf s ASN 51 Cb -0.04 -1.77 0.04 0.00 -1.45 0.00 0.00 41.25 38.03 1lxf s ASN 51 CO 0.03 -0.16 1.11 -2.16 -3.72 0.00 0.00 177.10 172.19 1lxf s PRO 52 N -1.20 2.52 0.51 0.43 0.04 -1.26 -5.05 135.00 130.98 1lxf s PRO 52 Ca 0.25 0.27 0.07 0.00 0.04 0.00 0.00 61.00 61.63 1lxf s PRO 52 Cb -0.09 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.46 1lxf s PRO 52 CO -0.12 -1.21 0.52 0.95 0.04 0.00 0.00 177.00 177.17 1lxf s THR 53 N -3.40 2.18 -0.80 1.26 -4.23 -1.26 -4.90 115.64 104.48 1lxf s THR 53 Ca 0.59 -1.28 0.27 0.00 -1.18 0.00 0.00 61.69 60.09 1lxf s THR 53 Cb -0.11 -2.45 0.26 0.00 1.34 0.00 0.00 72.50 71.54 1lxf s THR 53 CO 0.50 0.00 1.79 -0.81 -0.54 0.00 0.00 174.62 175.56 1lxf n PRO 54 N -1.84 0.20 0.01 3.99 -0.04 -1.26 -2.69 135.00 133.36 1lxf n PRO 54 Ca 0.05 0.16 -0.08 0.00 -0.04 0.00 0.00 63.50 63.59 1lxf n PRO 54 Cb 0.62 -1.72 -0.13 0.00 -0.04 0.00 0.00 33.50 32.23 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 0.00 0.00 0.54 4.11 -1.95 -3.12 114.58 114.16 1lxf h GLU 55 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.37 1lxf h GLU 55 Cb 0.68 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1lxf h GLU 55 CO 0.00 0.66 -0.81 0.93 0.07 0.00 0.00 179.01 179.86 1lxf h GLU 56 N 0.00 0.00 0.02 1.06 3.07 -1.96 -3.31 114.58 113.46 1lxf h GLU 56 Ca -0.18 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.46 1lxf h GLU 56 Cb 1.91 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.80 1lxf h GLU 56 CO 0.10 0.16 -1.05 -0.07 -1.40 0.00 0.00 179.01 176.75 1lxf h LEU 57 N 0.00 0.07 -0.91 1.33 3.38 -1.62 -3.30 115.31 114.26 1lxf h LEU 57 Ca -0.04 -0.08 0.25 0.00 0.09 0.00 0.00 57.88 58.10 1lxf h LEU 57 Cb 1.21 -0.02 -0.16 0.00 0.09 0.00 0.00 40.66 41.78 1lxf h LEU 57 CO 0.02 1.06 0.12 -0.61 0.09 0.00 0.00 178.44 179.13 1lxf h GLN 58 N 0.01 0.09 -0.24 1.13 -0.00 -1.63 0.42 115.11 114.89 1lxf h GLN 58 Ca -0.03 -0.01 0.05 0.00 -0.00 0.00 0.00 58.65 58.67 1lxf h GLN 58 Cb 1.81 -0.02 -0.06 0.00 0.00 0.00 0.00 27.48 29.21 1lxf h GLN 58 CO 0.14 0.06 -0.13 1.49 0.00 0.00 0.00 178.83 180.40 1lxf h GLU 59 N 0.09 -0.10 -0.97 1.69 4.81 -1.77 -0.77 114.58 117.56 1lxf h GLU 59 Ca 0.56 0.01 0.31 0.00 -0.13 0.00 0.00 59.36 60.11 1lxf h GLU 59 Cb 1.16 0.02 -0.16 0.00 0.63 0.00 0.00 28.75 30.40 1lxf h GLU 59 CO -0.78 -0.07 0.43 0.52 -0.73 0.00 0.00 179.01 178.39 1lxf h MET 60 N -0.10 0.21 -0.24 1.92 2.86 -0.35 0.53 114.93 119.76 1lxf h MET 60 Ca 0.13 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.69 1lxf h MET 60 Cb 0.30 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 1lxf h MET 60 CO -0.30 0.14 -0.09 0.82 1.06 0.00 0.00 176.91 178.53 1lxf h ILE 61 N 0.21 1.30 -1.32 -1.22 5.03 -0.98 -2.80 117.51 117.73 1lxf h ILE 61 Ca 0.69 -1.15 0.38 0.00 -0.12 0.00 0.00 64.86 64.67 1lxf h ILE 61 Cb 1.58 1.55 -0.05 0.00 -3.03 0.00 0.00 36.82 36.87 1lxf h ILE 61 CO -0.68 0.35 1.06 0.44 -0.68 0.00 0.00 178.15 178.65 1lxf h ASP 62 N 0.21 0.00 -0.16 1.72 3.32 0.80 2.07 116.42 124.38 1lxf h ASP 62 Ca 0.06 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.00 1lxf h ASP 62 Cb 0.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1lxf h ASP 62 CO 0.03 0.00 -0.30 -0.33 -1.72 0.00 0.00 179.24 176.92 1lxf h GLU 63 N 0.00 0.48 0.00 3.56 5.08 -1.20 -3.23 114.58 119.26 1lxf h GLU 63 Ca 0.63 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1lxf h GLU 63 Cb 2.74 0.04 0.00 0.00 0.50 0.00 0.00 28.75 32.03 1lxf h GLU 63 CO -0.01 0.91 -0.81 -0.39 -1.00 0.00 0.00 179.01 177.71 1lxf h VAL 64 N 0.10 0.00 0.00 3.13 -1.51 0.64 -3.39 116.25 115.23 1lxf h VAL 64 Ca 0.01 -0.91 -0.42 0.00 -1.23 0.00 0.00 66.70 64.15 1lxf h VAL 64 Cb 0.89 1.48 0.01 0.00 -2.13 0.00 0.00 31.29 31.54 1lxf h VAL 64 CO 0.07 0.00 2.51 0.47 -1.23 0.00 0.00 177.57 179.39 1lxf n ASP 65 N -2.63 5.88 0.17 4.19 9.92 0.63 -4.29 116.55 130.42 1lxf n ASP 65 Ca 0.01 -2.37 0.12 0.00 -0.53 0.00 0.00 54.79 52.02 1lxf n ASP 65 Cb 0.53 -1.22 0.11 0.00 -0.64 0.00 0.00 41.12 39.90 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 5.50 0.00 0.00 -1.24 4.39 -1.79 -3.25 114.58 118.19 1lxf h GLU 66 Ca 0.55 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.25 1lxf h GLU 66 Cb 0.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1lxf h GLU 66 CO 1.35 0.00 -1.24 -0.40 -1.16 0.00 0.00 179.01 177.56 1lxf n ASP 67 N -2.88 0.76 -0.36 1.42 5.75 -1.26 -4.98 116.55 114.99 1lxf n ASP 67 Ca 0.02 -0.76 0.00 0.00 -0.01 0.00 0.00 54.79 54.05 1lxf n ASP 67 Cb 0.53 1.24 0.00 0.00 -1.03 0.00 0.00 41.12 41.86 1lxf n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lxf n GLY 68 N 1.44 0.81 0.12 6.12 0.00 -1.23 -4.98 105.19 107.48 1lxf n GLY 68 Ca 0.02 -0.72 -0.20 0.00 0.00 0.00 0.00 46.02 45.12 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 0.60 0.00 1.61 4.64 -1.92 -3.48 113.55 115.00 1lxf h SER 69 Ca 0.00 -0.66 0.00 0.00 -0.47 0.00 0.00 61.79 60.66 1lxf h SER 69 Cb 0.98 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1lxf h SER 69 CO 0.00 1.52 0.00 0.61 -0.87 0.00 0.00 176.83 178.09 1lxf n GLY 70 N 1.63 2.85 3.62 -0.77 0.00 -1.26 -5.03 105.19 106.23 1lxf n GLY 70 Ca -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.77 0.83 -0.49 2.61 -4.23 -1.26 -4.80 115.64 105.53 1lxf s THR 71 Ca 0.00 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 1lxf s THR 71 Cb 0.00 -2.27 0.13 0.00 1.34 0.00 0.00 72.50 71.70 1lxf s THR 71 CO 0.00 0.00 0.24 -0.69 -0.54 0.00 0.00 174.62 173.63 1lxf s VAL 72 N -3.06 2.29 0.08 2.29 1.01 -0.51 -4.70 120.40 117.80 1lxf s VAL 72 Ca 0.16 -3.07 -0.01 0.00 0.00 0.00 0.00 61.98 59.05 1lxf s VAL 72 Cb 0.02 -2.60 0.02 0.00 0.00 0.00 0.00 36.38 33.82 1lxf s VAL 72 CO 0.10 -0.81 0.05 -0.90 0.00 0.00 0.00 175.10 173.54 1lxf n ASP 73 N 3.29 -2.02 -0.17 3.32 5.68 -1.26 0.68 116.55 126.07 1lxf n ASP 73 Ca 0.06 -0.09 0.01 0.00 -0.50 0.00 0.00 54.79 54.27 1lxf n ASP 73 Cb 0.33 -0.05 0.03 0.00 -1.14 0.00 0.00 41.12 40.29 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 -3.10 0.10 -0.05 2.11 7.35 -1.01 -3.27 117.46 119.58 1lxf n PHE 74 Ca 0.01 -0.05 -0.03 0.00 -0.76 0.00 0.00 57.45 56.62 1lxf n PHE 74 Cb 0.03 -0.01 -0.10 0.00 0.35 0.00 0.00 39.48 39.75 1lxf n PHE 74 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1lxf n ASP 75 N -0.27 1.87 -0.10 -2.13 8.00 -1.26 -4.61 116.55 118.04 1lxf n ASP 75 Ca 0.02 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.32 1lxf n ASP 75 Cb 0.08 1.03 -0.09 0.00 -0.02 0.00 0.00 41.12 42.11 1lxf n ASP 75 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1lxf n GLU 76 N -2.34 0.55 0.00 -1.24 1.02 -1.22 -4.21 120.64 113.20 1lxf n GLU 76 Ca -0.16 0.52 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 1lxf n GLU 76 Cb 0.77 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 30.49 1lxf n GLU 76 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1lxf n PHE 77 N -4.44 0.00 0.00 -0.32 7.35 -1.20 0.77 117.46 119.61 1lxf n PHE 77 Ca -0.30 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.39 1lxf n PHE 77 Cb 0.64 -0.35 0.00 0.00 0.35 0.00 0.00 39.48 40.11 1lxf n PHE 77 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1lxf n LEU 78 N -2.50 0.00 -0.38 -2.13 4.77 -1.26 -0.88 117.00 114.62 1lxf n LEU 78 Ca 0.00 0.58 -0.01 0.00 -0.03 0.00 0.00 56.01 56.55 1lxf n LEU 78 Cb 0.00 -0.14 0.04 0.00 -2.33 0.00 0.00 43.42 41.00 1lxf n LEU 78 CO 0.00 -0.14 0.58 0.52 -1.33 0.00 0.00 177.39 177.02 1lxf n VAL 79 N -1.54 -0.52 -0.48 4.08 0.31 -1.01 0.22 118.33 119.38 1lxf n VAL 79 Ca 0.00 2.32 0.39 0.00 -0.01 0.00 0.00 64.34 67.04 1lxf n VAL 79 Cb 0.00 -3.07 0.68 0.00 -0.91 0.00 0.00 33.84 30.54 1lxf n VAL 79 CO 0.00 0.00 0.00 -0.03 -1.32 0.00 0.00 176.83 175.48 1lxf h MET 80 N 0.00 0.06 0.05 5.55 4.05 0.23 1.10 114.93 125.97 1lxf h MET 80 Ca 0.35 -0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.76 1lxf h MET 80 Cb 0.59 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.38 1lxf h MET 80 CO -0.98 0.04 -0.03 0.52 0.23 0.00 0.00 176.91 176.69 1lxf h MET 81 N 0.06 -0.07 0.00 0.39 2.86 0.38 -3.09 114.93 115.46 1lxf h MET 81 Ca 0.84 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.48 1lxf h MET 81 Cb 2.75 0.02 0.00 0.00 0.06 0.00 0.00 31.60 34.43 1lxf h MET 81 CO -0.36 0.16 0.26 0.28 1.06 0.00 0.00 176.91 178.31 1lxf h VAL 82 N -1.00 0.00 0.03 -2.22 2.07 0.22 0.35 116.25 115.69 1lxf h VAL 82 Ca -0.01 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.27 1lxf h VAL 82 Cb 0.26 0.74 0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1lxf h VAL 82 CO 0.01 0.00 -1.03 -0.09 0.02 0.00 0.00 177.57 176.49 1lxf h ARG 83 N 0.00 0.47 0.00 1.57 2.43 0.11 -3.02 114.38 115.94 1lxf h ARG 83 Ca 0.00 -0.55 -0.26 0.00 -0.81 0.00 0.00 59.98 58.37 1lxf h ARG 83 Cb 0.52 0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.19 1lxf h ARG 83 CO 0.00 1.19 -1.45 0.00 -1.51 0.00 0.00 179.97 178.20 1lxf h MET 85 N 0.00 0.00 0.00 0.00 2.86 -0.58 -2.46 114.93 114.75 1lxf h MET 85 Ca -0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 1lxf h MET 85 Cb 1.90 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.56 1lxf h MET 85 CO 0.09 0.00 -0.07 1.63 1.06 0.00 0.00 176.91 179.63 1lxf n LYS 86 N -2.32 0.04 -3.29 1.72 4.76 -1.14 -4.79 118.16 113.14 1lxf n LYS 86 Ca 0.02 0.08 -0.33 0.00 -2.87 0.00 0.00 58.31 55.21 1lxf n LYS 86 Cb 0.24 -0.64 -0.05 0.00 -1.84 0.00 0.00 35.03 32.74 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 -2.59 4.75 -4.49 4.39 8.00 -1.14 -5.00 116.55 120.46 1lxf n ASP 87 Ca -0.01 -3.41 -0.14 0.00 0.71 0.00 0.00 54.79 51.94 1lxf n ASP 87 Cb 0.03 -0.91 -0.11 0.00 -0.02 0.00 0.00 41.12 40.11 1lxf n ASP 87 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1lxf n ASP 88 N 1.12 0.49 0.00 -2.24 5.75 -0.92 -4.77 116.55 115.98 1lxf n ASP 88 Ca 0.28 -1.43 0.11 0.00 -0.01 0.00 0.00 54.79 53.75 1lxf n ASP 88 Cb 0.38 -1.28 0.68 0.00 -1.03 0.00 0.00 41.12 39.87 1lxf n ASP 88 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89