#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 6.53 -0.05 6.12 2.03 -1.26 -4.40 116.55 125.52 1lxf n ASP 2 Ca 0.00 -3.10 -0.08 0.00 0.52 0.00 0.00 54.79 52.13 1lxf n ASP 2 Cb 0.00 -1.05 0.08 0.00 -0.72 0.00 0.00 41.12 39.42 1lxf n ASP 2 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 1lxf h ASP 3 N 1.50 0.73 -1.46 1.67 3.04 -2.05 -3.04 116.42 116.81 1lxf h ASP 3 Ca 0.30 -0.30 0.46 0.00 -3.24 0.00 0.00 57.03 54.25 1lxf h ASP 3 Cb 0.91 -0.20 -0.10 0.00 -1.04 0.00 0.00 39.33 38.90 1lxf h ASP 3 CO 0.80 1.01 1.00 2.30 -2.04 0.00 0.00 179.24 182.30 1lxf n ILE 4 N -4.06 -0.12 -0.07 4.15 -0.00 -1.26 -0.43 119.36 117.57 1lxf n ILE 4 Ca -0.01 1.46 -0.05 0.00 -0.00 0.00 0.00 62.75 64.14 1lxf n ILE 4 Cb 0.49 -2.40 -0.02 0.00 -0.00 0.00 0.00 39.64 37.71 1lxf n ILE 4 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.55 178.43 1lxf h TYR 5 N 0.00 0.00 -1.26 4.28 0.05 -1.91 -3.14 116.97 114.99 1lxf h TYR 5 Ca 0.80 0.00 0.44 0.00 0.05 0.00 0.00 58.73 60.02 1lxf h TYR 5 Cb 2.88 0.00 -0.13 0.00 1.01 0.00 0.00 36.73 40.50 1lxf h TYR 5 CO -0.00 0.11 0.81 1.63 -1.05 0.00 0.00 178.16 179.66 1lxf n LYS 6 N -4.62 -0.03 -0.02 4.88 4.76 0.18 0.17 118.16 123.48 1lxf n LYS 6 Ca -0.08 1.14 -0.13 0.00 -2.87 0.00 0.00 58.31 56.37 1lxf n LYS 6 Cb 0.27 -2.26 -0.11 0.00 -1.84 0.00 0.00 35.03 31.10 1lxf n LYS 6 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1lxf h ALA 7 N 1.45 -0.03 0.58 7.82 0.00 -0.90 -0.52 119.26 127.66 1lxf h ALA 7 Ca 0.80 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 55.36 1lxf h ALA 7 Cb 2.60 0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.40 1lxf h ALA 7 CO -0.42 -0.17 -0.29 0.00 0.00 0.00 0.00 179.25 178.37 1lxf h ALA 8 N 0.19 -0.79 -0.23 0.00 0.00 0.18 0.67 119.26 119.28 1lxf h ALA 8 Ca -0.00 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.80 1lxf h ALA 8 Cb 0.66 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1lxf h ALA 8 CO 0.01 -0.95 0.23 -0.39 0.00 0.00 0.00 179.25 178.15 1lxf h VAL 9 N -0.79 0.53 0.03 0.00 -1.51 0.82 0.31 116.25 115.65 1lxf h VAL 9 Ca -0.08 0.00 -0.18 0.00 -1.23 0.00 0.00 66.70 65.21 1lxf h VAL 9 Cb 0.61 0.82 0.02 0.00 -2.13 0.00 0.00 31.29 30.61 1lxf h VAL 9 CO 0.13 0.00 -0.74 -0.33 -1.23 0.00 0.00 177.57 175.39 1lxf h GLU 10 N 0.00 0.44 -0.13 5.19 4.39 0.21 -3.31 114.58 121.37 1lxf h GLU 10 Ca 0.11 -0.52 0.05 0.00 0.34 0.00 0.00 59.36 59.34 1lxf h GLU 10 Cb 0.57 0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 29.32 1lxf h GLU 10 CO -0.00 1.18 -0.28 1.96 -1.16 0.00 0.00 179.01 180.71 1lxf h GLN 11 N -0.06 -0.34 -6.05 2.33 1.08 0.24 -3.40 115.11 108.91 1lxf h GLN 11 Ca -0.10 0.02 -0.69 0.00 -1.45 0.00 0.00 58.65 56.43 1lxf h GLN 11 Cb 1.46 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.96 1lxf h GLN 11 CO 0.14 -0.23 1.27 1.28 -0.95 0.00 0.00 178.83 180.34 1lxf n LEU 12 N -5.39 2.24 -4.81 1.46 4.77 -0.85 -4.92 117.00 109.49 1lxf n LEU 12 Ca -0.03 0.63 -0.29 0.00 -0.03 0.00 0.00 56.01 56.29 1lxf n LEU 12 Cb 0.31 -1.22 0.11 0.00 -2.33 0.00 0.00 43.42 40.28 1lxf n LEU 12 CO 0.17 -0.60 0.73 -0.89 -1.33 0.00 0.00 177.39 175.47 1lxf s THR 13 N 6.07 2.39 0.63 -5.08 2.01 -1.26 -4.79 115.64 115.61 1lxf s THR 13 Ca 1.06 0.13 0.32 0.00 0.31 0.00 0.00 61.69 63.50 1lxf s THR 13 Cb -0.93 -2.93 0.35 0.00 0.01 0.00 0.00 72.50 69.01 1lxf s THR 13 CO 0.54 -0.16 2.04 1.05 -0.69 0.00 0.00 174.62 177.39 1lxf h GLU 14 N -1.27 0.00 0.05 4.92 4.11 -1.95 -1.87 114.58 118.57 1lxf h GLU 14 Ca -0.49 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 58.94 1lxf h GLU 14 Cb 1.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.56 1lxf h GLU 14 CO 0.62 0.00 -0.05 0.93 0.07 0.00 0.00 179.01 180.58 1lxf h GLU 15 N 0.00 -0.10 -0.80 1.06 4.39 -1.99 0.54 114.58 117.69 1lxf h GLU 15 Ca 0.06 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.73 1lxf h GLU 15 Cb 0.59 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.23 1lxf h GLU 15 CO -0.00 -0.06 0.36 0.37 -1.16 0.00 0.00 179.01 178.51 1lxf h GLN 16 N -0.10 1.16 -0.56 2.33 5.75 -1.85 -2.88 115.11 118.97 1lxf h GLN 16 Ca -0.01 -0.19 0.11 0.00 -0.15 0.00 0.00 58.65 58.41 1lxf h GLN 16 Cb 0.09 -0.20 -0.11 0.00 1.07 0.00 0.00 27.48 28.33 1lxf h GLN 16 CO -0.01 0.92 -0.26 -0.22 -2.65 0.00 0.00 178.83 176.60 1lxf h LYS 17 N 1.14 -0.12 0.00 1.69 1.63 -1.20 0.38 116.57 120.09 1lxf h LYS 17 Ca 0.27 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.08 1lxf h LYS 17 Cb 0.16 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1lxf h LYS 17 CO -0.03 -0.08 0.00 0.09 -3.45 0.00 0.00 179.45 175.98 1lxf n ASN 18 N -5.43 0.00 -0.11 4.20 3.02 0.17 -1.10 115.26 116.01 1lxf n ASN 18 Ca 0.05 0.80 0.26 0.00 -0.03 0.00 0.00 54.58 55.66 1lxf n ASN 18 Cb 0.34 -0.30 0.59 0.00 -0.61 0.00 0.00 39.78 39.81 1lxf n ASN 18 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1lxf h GLU 19 N 0.00 0.00 0.13 3.52 4.11 -1.50 0.45 114.58 121.29 1lxf h GLU 19 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1lxf h GLU 19 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1lxf h GLU 19 CO 0.00 0.00 -0.06 0.35 0.07 0.00 0.00 179.01 179.37 1lxf h PHE 20 N 0.00 -0.16 -0.75 2.06 3.04 0.14 -2.85 116.94 118.41 1lxf h PHE 20 Ca 0.39 -0.00 0.17 0.00 3.98 0.00 0.00 57.97 62.51 1lxf h PHE 20 Cb 2.17 0.05 -0.05 0.00 2.56 0.00 0.00 35.95 40.69 1lxf h PHE 20 CO 0.00 0.13 0.51 0.87 -2.02 0.00 0.00 178.31 177.80 1lxf h LYS 21 N -0.45 0.27 -0.77 1.11 1.57 0.15 -0.30 116.57 118.15 1lxf h LYS 21 Ca -0.02 -0.02 0.16 0.00 -1.87 0.00 0.00 60.65 58.91 1lxf h LYS 21 Cb 0.36 -0.06 -0.11 0.00 0.08 0.00 0.00 32.23 32.51 1lxf h LYS 21 CO 0.03 0.18 0.27 0.00 -0.57 0.00 0.00 179.45 179.36 1lxf h ALA 22 N 1.65 1.08 -0.03 3.86 0.00 -1.31 0.53 119.26 125.04 1lxf h ALA 22 Ca 0.37 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.34 1lxf h ALA 22 Cb 1.04 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1lxf h ALA 22 CO -0.09 -0.28 -0.37 0.00 0.00 0.00 0.00 179.25 178.51 1lxf h ALA 23 N 1.60 1.33 0.00 0.00 0.00 -1.12 -1.73 119.26 119.34 1lxf h ALA 23 Ca 0.44 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1lxf h ALA 23 Cb 0.73 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1lxf h ALA 23 CO -0.46 0.49 -0.14 0.74 0.00 0.00 0.00 179.25 179.88 1lxf h PHE 24 N 0.05 0.00 -0.01 0.00 0.04 0.07 -1.13 116.94 115.95 1lxf h PHE 24 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1lxf h PHE 24 Cb 0.68 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.83 1lxf h PHE 24 CO 0.00 0.14 0.00 -0.25 -0.60 0.00 0.00 178.31 177.60 1lxf n ASP 25 N -3.33 0.24 -0.01 2.17 8.00 -0.14 -3.38 116.55 120.08 1lxf n ASP 25 Ca -0.00 -1.22 -0.02 0.00 0.71 0.00 0.00 54.79 54.26 1lxf n ASP 25 Cb 0.36 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.45 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 -0.75 0.44 -0.53 0.53 2.08 -0.45 -3.06 119.36 117.62 1lxf n ILE 26 Ca 0.20 0.31 0.43 0.00 0.56 0.00 0.00 62.75 64.25 1lxf n ILE 26 Cb 0.13 -1.59 0.73 0.00 -0.75 0.00 0.00 39.64 38.16 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 -0.21 0.28 -0.42 1.39 0.04 -1.64 1.69 116.94 118.06 1lxf h PHE 27 Ca 0.00 0.01 -0.31 0.00 2.80 0.00 0.00 57.97 60.47 1lxf h PHE 27 Cb 0.21 -0.07 -0.28 0.00 2.20 0.00 0.00 35.95 38.02 1lxf h PHE 27 CO -0.09 -0.11 -0.75 1.33 -0.60 0.00 0.00 178.31 178.09 1lxf n VAL 28 N -4.36 2.16 0.15 -0.55 0.24 -1.22 -4.56 118.33 110.19 1lxf n VAL 28 Ca 0.39 -3.59 0.10 0.00 -2.04 0.00 0.00 64.34 59.20 1lxf n VAL 28 Cb 1.63 -0.49 0.55 0.00 -1.47 0.00 0.00 33.84 34.06 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 -0.77 0.52 0.00 1.34 -0.00 0.58 -3.04 117.00 115.63 1lxf n LEU 29 Ca 0.30 0.74 0.00 0.00 -0.00 0.00 0.00 56.01 57.05 1lxf n LEU 29 Cb 0.87 -0.81 0.00 0.00 -0.00 0.00 0.00 43.42 43.48 1lxf n LEU 29 CO 0.19 -0.92 -0.19 0.61 -0.00 0.00 0.00 177.39 177.08 1lxf n GLY 30 N -1.31 0.00 3.03 1.47 0.00 -1.26 -4.99 105.19 102.13 1lxf n GLY 30 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.02 -5.62 0.14 4.61 0.00 -1.17 -4.91 120.51 112.54 1lxf n ALA 31 Ca 0.00 -1.31 -0.11 0.00 0.00 0.00 0.00 53.44 52.02 1lxf n ALA 31 Cb 0.17 -0.90 -0.06 0.00 0.00 0.00 0.00 19.45 18.65 1lxf n ALA 31 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1lxf h GLU 32 N -1.10 -0.41 0.00 0.00 4.81 -1.92 -3.46 114.58 112.50 1lxf h GLU 32 Ca -0.41 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1lxf h GLU 32 Cb 1.38 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.86 1lxf h GLU 32 CO 0.23 -0.11 0.00 -0.40 -0.73 0.00 0.00 179.01 178.00 1lxf n ASP 33 N -5.08 0.00 -1.66 1.04 5.68 -1.26 -5.03 116.55 110.24 1lxf n ASP 33 Ca -0.08 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 54.16 1lxf n ASP 33 Cb 0.25 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.24 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 3.63 1.11 3.82 6.12 0.00 -1.26 -4.99 105.19 113.63 1lxf n GLY 34 Ca 0.00 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.29 4.72 0.59 0.00 1.01 0.25 -4.55 121.20 121.93 1lxf s ILE 36 Ca 0.34 -1.88 -0.16 0.00 0.00 0.00 0.00 60.65 58.95 1lxf s ILE 36 Cb -0.18 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 1lxf s ILE 36 CO 0.20 -0.85 1.06 -0.55 0.00 0.00 0.00 174.94 174.79 1lxf s SER 37 N 2.76 5.81 0.30 3.58 0.15 -1.26 -2.73 113.70 122.31 1lxf s SER 37 Ca 0.08 1.84 0.06 0.00 0.70 0.00 0.00 55.95 58.62 1lxf s SER 37 Cb -0.25 -2.54 0.82 0.00 -1.71 0.00 0.00 66.02 62.35 1lxf s SER 37 CO -0.01 -1.15 1.66 0.71 1.20 0.00 0.00 173.24 175.66 1lxf h THR 38 N 0.53 0.35 0.02 6.45 1.35 -1.94 0.23 112.91 119.90 1lxf h THR 38 Ca -0.47 -0.10 -0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1lxf h THR 38 Cb 1.22 0.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 1lxf h THR 38 CO 0.57 0.05 -0.01 0.50 -0.25 0.00 0.00 175.52 176.39 1lxf h LYS 39 N 0.29 -0.03 -1.00 4.72 3.64 -1.91 -3.26 116.57 119.03 1lxf h LYS 39 Ca 0.61 0.00 0.34 0.00 -1.27 0.00 0.00 60.65 60.33 1lxf h LYS 39 Cb 1.25 0.01 -0.16 0.00 -0.41 0.00 0.00 32.23 32.92 1lxf h LYS 39 CO -0.61 0.70 0.55 1.49 -2.27 0.00 0.00 179.45 179.31 1lxf h GLU 40 N -0.91 0.24 0.40 1.90 4.57 -1.51 0.23 114.58 119.51 1lxf h GLU 40 Ca -0.00 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1lxf h GLU 40 Cb 0.75 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.27 1lxf h GLU 40 CO 0.00 0.16 -0.28 1.25 -1.18 0.00 0.00 179.01 178.97 1lxf h LEU 41 N 0.25 -0.71 -1.60 1.64 5.85 -0.68 -1.42 115.31 118.63 1lxf h LEU 41 Ca 0.75 0.05 0.20 0.00 0.84 0.00 0.00 57.88 59.73 1lxf h LEU 41 Cb 1.78 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 43.00 1lxf h LEU 41 CO -0.65 -0.43 0.79 1.23 -0.34 0.00 0.00 178.44 179.04 1lxf h GLY 42 N -0.67 0.00 1.56 3.75 0.00 -0.58 0.84 103.07 107.97 1lxf h GLY 42 Ca -0.04 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.22 1lxf h GLY 42 CO 0.02 0.00 -0.09 1.70 0.00 0.00 0.00 176.54 178.17 1lxf h LYS 43 N 0.00 0.53 0.00 4.80 3.64 -0.97 -2.91 116.57 121.67 1lxf h LYS 43 Ca 0.33 -0.15 -0.05 0.00 -1.27 0.00 0.00 60.65 59.52 1lxf h LYS 43 Cb 1.90 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.65 1lxf h LYS 43 CO -0.00 0.63 -0.51 0.28 -2.27 0.00 0.00 179.45 177.58 1lxf h VAL 44 N 0.50 0.31 -0.83 2.00 2.07 0.65 -3.35 116.25 117.60 1lxf h VAL 44 Ca 0.09 -1.33 0.10 0.00 0.82 0.00 0.00 66.70 66.38 1lxf h VAL 44 Cb 0.46 0.69 -0.11 0.00 -1.52 0.00 0.00 31.29 30.81 1lxf h VAL 44 CO 0.03 0.11 -0.42 0.23 0.02 0.00 0.00 177.57 177.53 1lxf n MET 45 N -4.62 -0.30 -0.26 1.57 2.81 -0.78 0.25 117.12 115.80 1lxf n MET 45 Ca -0.11 1.27 0.24 0.00 -1.81 0.00 0.00 57.70 57.29 1lxf n MET 45 Cb 0.31 -1.87 0.58 0.00 -0.71 0.00 0.00 33.22 31.52 1lxf n MET 45 CO 0.00 0.00 0.00 0.07 1.51 0.00 0.00 175.97 177.55 1lxf h ARG 46 N 0.00 0.27 0.00 0.03 0.11 0.44 0.96 114.38 116.19 1lxf h ARG 46 Ca 0.20 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.26 1lxf h ARG 46 Cb 0.41 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.42 1lxf h ARG 46 CO -0.80 0.18 0.00 -1.33 0.10 0.00 0.00 179.97 178.12 1lxf n MET 47 N -4.46 0.01 -0.00 0.08 2.81 0.68 -1.96 117.12 114.28 1lxf n MET 47 Ca 0.21 0.27 0.11 0.00 -1.81 0.00 0.00 57.70 56.48 1lxf n MET 47 Cb 0.86 -1.52 -0.14 0.00 -0.71 0.00 0.00 33.22 31.71 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 -1.54 0.31 0.00 4.03 4.32 0.33 -4.96 117.00 119.49 1lxf n LEU 48 Ca 0.03 -0.10 0.00 0.00 -0.02 0.00 0.00 56.01 55.92 1lxf n LEU 48 Cb 0.16 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 41.95 1lxf n LEU 48 CO 0.13 0.05 0.00 0.61 -1.22 0.00 0.00 177.39 176.96 1lxf n GLY 49 N 1.32 1.38 3.14 -0.72 0.00 -0.83 -5.10 105.19 104.39 1lxf n GLY 49 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 3.00 -0.64 1.61 -0.21 -1.16 -4.96 119.66 117.32 1lxf s GLN 50 Ca 0.00 -0.84 -0.02 0.00 0.02 0.00 0.00 55.36 54.52 1lxf s GLN 50 Cb 0.00 -2.51 0.16 0.00 1.00 0.00 0.00 33.01 31.66 1lxf s GLN 50 CO 0.00 -0.12 0.45 1.21 -2.12 0.00 0.00 175.29 174.71 1lxf s ASN 51 N 1.07 5.17 0.87 5.90 3.04 -1.26 0.66 114.94 130.39 1lxf s ASN 51 Ca -0.00 -2.96 -0.12 0.00 0.04 0.00 0.00 52.86 49.81 1lxf s ASN 51 Cb -0.14 -1.83 0.11 0.00 -1.54 0.00 0.00 41.25 37.85 1lxf s ASN 51 CO -0.08 -0.33 1.17 -2.16 -3.04 0.00 0.00 177.10 172.65 1lxf s PRO 52 N -0.22 1.50 0.63 0.43 0.04 -1.26 -4.95 135.00 131.17 1lxf s PRO 52 Ca 0.18 0.17 0.07 0.00 0.04 0.00 0.00 61.00 61.45 1lxf s PRO 52 Cb -0.20 -1.89 0.10 0.00 0.04 0.00 0.00 34.50 32.55 1lxf s PRO 52 CO -0.04 -1.92 0.86 0.95 0.04 0.00 0.00 177.00 176.89 1lxf s THR 53 N -3.45 2.10 -0.87 1.26 -4.23 -1.26 -4.78 115.64 104.41 1lxf s THR 53 Ca 0.63 -0.89 0.27 0.00 -1.18 0.00 0.00 61.69 60.53 1lxf s THR 53 Cb -0.12 -2.21 0.24 0.00 1.34 0.00 0.00 72.50 71.75 1lxf s THR 53 CO 0.51 0.00 1.81 -0.81 -0.54 0.00 0.00 174.62 175.59 1lxf n PRO 54 N -2.43 0.13 0.01 3.99 -0.04 -1.26 -2.47 135.00 132.93 1lxf n PRO 54 Ca 0.16 0.10 -0.09 0.00 -0.04 0.00 0.00 63.50 63.62 1lxf n PRO 54 Cb 0.61 -1.64 -0.13 0.00 -0.04 0.00 0.00 33.50 32.30 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 0.04 0.06 0.54 -0.00 -1.94 -2.42 114.58 110.86 1lxf h GLU 55 Ca 0.00 -0.07 -0.28 0.00 -0.00 0.00 0.00 59.36 59.02 1lxf h GLU 55 Cb 0.62 0.02 -0.02 0.00 -0.00 0.00 0.00 28.75 29.37 1lxf h GLU 55 CO 0.00 0.75 -1.42 0.93 -0.00 0.00 0.00 179.01 179.27 1lxf h GLU 56 N 0.01 0.14 0.06 1.06 5.08 -1.96 -3.36 114.58 115.61 1lxf h GLU 56 Ca -0.20 -0.23 -0.22 0.00 -1.00 0.00 0.00 59.36 57.71 1lxf h GLU 56 Cb 1.94 0.09 0.02 0.00 0.50 0.00 0.00 28.75 31.30 1lxf h GLU 56 CO 0.11 0.97 -0.89 -0.07 -1.00 0.00 0.00 179.01 178.13 1lxf h LEU 57 N 0.04 0.68 -1.42 1.33 3.38 -1.62 -3.24 115.31 114.46 1lxf h LEU 57 Ca -0.19 -0.81 0.47 0.00 0.09 0.00 0.00 57.88 57.44 1lxf h LEU 57 Cb 1.95 -0.21 -0.13 0.00 0.09 0.00 0.00 40.66 42.35 1lxf h LEU 57 CO 0.14 1.41 0.89 -0.61 0.09 0.00 0.00 178.44 180.36 1lxf h GLN 58 N 0.03 0.03 -0.42 1.13 5.75 -1.57 2.10 115.11 122.16 1lxf h GLN 58 Ca -0.13 -0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.24 1lxf h GLN 58 Cb 1.60 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 30.13 1lxf h GLN 58 CO 0.17 0.02 -0.23 0.93 -2.65 0.00 0.00 178.83 177.07 1lxf h GLU 59 N 0.04 0.90 0.00 1.69 5.08 -1.71 -2.28 114.58 118.29 1lxf h GLU 59 Ca 0.86 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 1lxf h GLU 59 Cb 2.77 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 32.00 1lxf h GLU 59 CO -0.43 1.06 0.00 -1.33 -1.00 0.00 0.00 179.01 177.30 1lxf n MET 60 N -4.17 0.08 0.05 2.33 2.81 0.70 -2.36 117.12 116.56 1lxf n MET 60 Ca -0.01 0.32 -0.17 0.00 -1.81 0.00 0.00 57.70 56.04 1lxf n MET 60 Cb 0.46 -1.65 -0.14 0.00 -0.71 0.00 0.00 33.22 31.17 1lxf n MET 60 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1lxf h ILE 61 N 0.00 1.10 0.00 2.02 1.08 -0.59 -3.29 117.51 117.83 1lxf h ILE 61 Ca 0.00 -2.76 -0.01 0.00 -0.39 0.00 0.00 64.86 61.70 1lxf h ILE 61 Cb 0.30 2.72 -0.00 0.00 -3.07 0.00 0.00 36.82 36.77 1lxf h ILE 61 CO 0.00 0.80 -0.03 0.44 -0.69 0.00 0.00 178.15 178.67 1lxf h ASP 62 N 0.06 0.00 1.04 1.72 5.19 -1.19 1.36 116.42 124.61 1lxf h ASP 62 Ca -0.26 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.15 1lxf h ASP 62 Cb 2.02 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.53 1lxf h ASP 62 CO 0.15 0.03 0.00 -0.33 -3.12 0.00 0.00 179.24 175.97 1lxf h GLU 63 N 0.00 0.00 0.00 3.56 5.08 -1.62 -3.28 114.58 118.31 1lxf h GLU 63 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1lxf h GLU 63 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1lxf h GLU 63 CO 0.00 0.00 -0.88 1.33 -1.00 0.00 0.00 179.01 178.47 1lxf n VAL 64 N -2.84 0.00 -1.84 3.13 0.24 -0.25 -4.87 118.33 111.89 1lxf n VAL 64 Ca 0.01 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.92 1lxf n VAL 64 Cb 0.31 -0.49 -0.03 0.00 -1.47 0.00 0.00 33.84 32.16 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 -1.67 3.54 0.09 -1.34 8.00 0.45 -4.59 116.55 121.03 1lxf n ASP 65 Ca 0.00 -2.78 -0.03 0.00 0.71 0.00 0.00 54.79 52.69 1lxf n ASP 65 Cb 0.31 -1.54 -0.06 0.00 -0.02 0.00 0.00 41.12 39.80 1lxf n ASP 65 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1lxf h GLU 66 N 7.81 0.00 0.00 -1.24 4.81 -1.85 -3.23 114.58 120.87 1lxf h GLU 66 Ca 0.41 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.60 1lxf h GLU 66 Cb 0.77 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 1lxf h GLU 66 CO 1.65 0.75 -0.72 0.38 -0.73 0.00 0.00 179.01 180.34 1lxf h ASP 67 N 0.00 0.00 -0.35 1.04 3.04 -1.97 -3.48 116.42 114.71 1lxf h ASP 67 Ca -0.03 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.76 1lxf h ASP 67 Cb 1.62 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.91 1lxf h ASP 67 CO 0.10 0.16 -0.01 0.61 -2.04 0.00 0.00 179.24 178.06 1lxf n GLY 68 N 1.20 0.53 0.17 7.15 0.00 -1.22 -4.94 105.19 108.09 1lxf n GLY 68 Ca -0.00 -0.81 0.15 0.00 0.00 0.00 0.00 46.02 45.35 1lxf n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1lxf n SER 69 N 1.79 0.60 -2.66 1.61 3.41 -1.26 -4.91 113.62 112.20 1lxf n SER 69 Ca -0.00 -0.91 -0.19 0.00 -0.26 0.00 0.00 58.87 57.51 1lxf n SER 69 Cb 0.50 -0.03 0.04 0.00 -0.26 0.00 0.00 64.21 64.46 1lxf n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lxf n GLY 70 N 1.18 -0.31 3.47 5.00 0.00 -1.26 -4.99 105.19 108.29 1lxf n GLY 70 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.12 0.00 -0.35 2.61 -4.23 -1.26 -4.64 115.64 104.66 1lxf s THR 71 Ca 0.31 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.85 1lxf s THR 71 Cb -0.14 -1.00 0.10 0.00 1.34 0.00 0.00 72.50 72.81 1lxf s THR 71 CO 0.38 0.00 0.08 -0.69 -0.54 0.00 0.00 174.62 173.85 1lxf s VAL 72 N -2.65 1.98 1.19 2.29 1.01 -1.10 -4.66 120.40 118.45 1lxf s VAL 72 Ca -0.03 -2.20 -0.20 0.00 0.00 0.00 0.00 61.98 59.55 1lxf s VAL 72 Cb -0.01 -2.46 0.29 0.00 0.00 0.00 0.00 36.38 34.21 1lxf s VAL 72 CO -0.04 -0.63 1.04 -0.90 0.00 0.00 0.00 175.10 174.57 1lxf n ASP 73 N 4.30 -2.13 0.31 3.32 5.68 -1.26 0.87 116.55 127.65 1lxf n ASP 73 Ca 0.03 -1.13 0.20 0.00 -0.50 0.00 0.00 54.79 53.39 1lxf n ASP 73 Cb 0.41 -0.96 0.99 0.00 -1.14 0.00 0.00 41.12 40.43 1lxf n ASP 73 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1lxf h PHE 74 N -2.71 0.00 0.00 2.11 3.04 -1.95 -2.60 116.94 114.83 1lxf h PHE 74 Ca -0.39 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.56 1lxf h PHE 74 Cb 1.20 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.71 1lxf h PHE 74 CO 0.00 0.01 0.00 -0.25 -2.02 0.00 0.00 178.31 176.05 1lxf n ASP 75 N -3.18 0.00 -0.47 0.41 9.92 -1.26 -3.16 116.55 118.81 1lxf n ASP 75 Ca -0.02 0.07 0.39 0.00 -0.53 0.00 0.00 54.79 54.71 1lxf n ASP 75 Cb 0.16 0.00 0.68 0.00 -0.64 0.00 0.00 41.12 41.32 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 0.07 0.00 -1.24 4.11 -1.93 -1.63 114.58 113.96 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 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1lxf h GLU 76 CO 0.00 0.05 0.00 0.34 0.07 0.00 0.00 179.01 179.47 1lxf n PHE 77 N -4.57 0.00 -0.29 2.06 7.35 -0.98 -0.36 117.46 120.67 1lxf n PHE 77 Ca 0.38 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 57.18 1lxf n PHE 77 Cb 1.50 -0.39 0.26 0.00 0.35 0.00 0.00 39.48 41.20 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 -0.09 0.01 -2.13 4.07 -1.26 -0.59 115.31 115.33 1lxf h LEU 78 Ca 0.00 0.20 0.00 0.00 0.08 0.00 0.00 57.88 58.16 1lxf h LEU 78 Cb 0.00 0.29 -0.00 0.00 1.08 0.00 0.00 40.66 42.03 1lxf h LEU 78 CO 0.00 -0.16 -0.02 0.58 -1.08 0.00 0.00 178.44 177.75 1lxf h VAL 79 N 0.18 0.00 -0.86 1.22 2.07 -1.09 -2.12 116.25 115.65 1lxf h VAL 79 Ca 0.52 0.00 0.16 0.00 0.82 0.00 0.00 66.70 68.21 1lxf h VAL 79 Cb 1.03 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.64 1lxf h VAL 79 CO -0.66 0.00 -0.26 -0.03 0.02 0.00 0.00 177.57 176.64 1lxf h MET 80 N -0.04 -0.02 -1.20 1.57 1.85 0.04 1.38 114.93 118.52 1lxf h MET 80 Ca -0.00 0.00 0.37 0.00 -0.61 0.00 0.00 59.70 59.46 1lxf h MET 80 Cb 0.04 0.00 -0.12 0.00 0.43 0.00 0.00 31.60 31.95 1lxf h MET 80 CO -0.01 -0.01 0.76 0.52 -0.40 0.00 0.00 176.91 177.77 1lxf h MET 81 N -0.02 0.19 0.00 0.39 2.07 -0.76 1.87 114.93 118.67 1lxf h MET 81 Ca 0.38 -0.01 -0.20 0.00 -2.07 0.00 0.00 59.70 57.80 1lxf h MET 81 Cb 0.62 -0.04 -0.03 0.00 -1.87 0.00 0.00 31.60 30.28 1lxf h MET 81 CO -0.89 0.13 -0.94 0.28 1.07 0.00 0.00 176.91 176.57 1lxf h VAL 82 N 0.20 1.62 -0.73 -2.22 2.07 0.25 -2.46 116.25 114.97 1lxf h VAL 82 Ca 0.74 -3.28 -0.00 0.00 0.82 0.00 0.00 66.70 64.98 1lxf h VAL 82 Cb 2.15 2.79 -0.04 0.00 -1.52 0.00 0.00 31.29 34.68 1lxf h VAL 82 CO -0.39 0.92 0.44 -0.09 0.02 0.00 0.00 177.57 178.46 1lxf h ARG 83 N 0.00 0.98 0.02 1.57 2.43 0.43 -2.48 114.38 117.33 1lxf h ARG 83 Ca -0.01 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1lxf h ARG 83 Cb 1.72 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 31.06 1lxf h ARG 83 CO 0.12 0.70 -0.01 0.00 -1.51 0.00 0.00 179.97 179.27 1lxf h MET 85 N -0.87 0.03 0.00 0.00 2.86 -1.38 0.22 114.93 115.80 1lxf h MET 85 Ca -0.00 -0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.32 1lxf h MET 85 Cb 0.74 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.34 1lxf h MET 85 CO 0.01 0.02 -2.19 1.63 1.06 0.00 0.00 176.91 177.44 1lxf n LYS 86 N -4.40 0.54 -3.67 1.72 5.02 -0.94 -4.87 118.16 111.56 1lxf n LYS 86 Ca 0.40 0.12 -0.30 0.00 -2.02 0.00 0.00 58.31 56.51 1lxf n LYS 86 Cb 1.65 -1.42 -0.14 0.00 -0.02 0.00 0.00 35.03 35.10 1lxf n LYS 86 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1lxf s ASP 87 N -6.00 3.68 -0.32 4.39 1.11 0.40 -5.09 116.67 114.83 1lxf s ASP 87 Ca -0.28 -2.05 -0.29 0.00 0.18 0.00 0.00 52.55 50.11 1lxf s ASP 87 Cb 0.07 -0.81 0.01 0.00 1.07 0.00 0.00 42.92 43.26 1lxf s ASP 87 CO 0.49 -0.35 1.21 -1.81 1.18 0.00 0.00 175.17 175.89 1lxf s ASP 88 N 1.12 6.76 0.00 0.27 1.11 -0.84 -3.35 116.67 121.74 1lxf s ASP 88 Ca 0.14 1.08 0.08 0.00 0.18 0.00 0.00 52.55 54.03 1lxf s ASP 88 Cb -0.21 -2.54 0.06 0.00 1.07 0.00 0.00 42.92 41.30 1lxf s ASP 88 CO -0.13 -1.02 0.74 -1.54 1.18 0.00 0.00 175.17 174.40