#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 2.39 0.30 7.83 -0.08 -1.26 -4.28 116.55 121.45 1lxf n ASP 2 Ca 0.00 -2.01 -0.13 0.00 -1.51 0.00 0.00 54.79 51.15 1lxf n ASP 2 Cb 0.00 -0.30 -0.06 0.00 2.34 0.00 0.00 41.12 43.10 1lxf n ASP 2 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1lxf h ASP 3 N 2.59 -0.68 -1.45 1.67 5.19 -2.07 -2.77 116.42 118.88 1lxf h ASP 3 Ca 0.00 0.02 0.42 0.00 -0.62 0.00 0.00 57.03 56.85 1lxf h ASP 3 Cb 0.60 0.18 -0.06 0.00 0.18 0.00 0.00 39.33 40.23 1lxf h ASP 3 CO 0.00 -0.29 1.19 0.16 -3.12 0.00 0.00 179.24 177.19 1lxf h ILE 4 N -1.21 0.10 -0.14 0.35 3.07 -2.04 2.03 117.51 119.68 1lxf h ILE 4 Ca -0.08 0.00 -0.17 0.00 1.55 0.00 0.00 64.86 66.16 1lxf h ILE 4 Cb 0.63 0.13 0.01 0.00 -0.27 0.00 0.00 36.82 37.31 1lxf h ILE 4 CO 0.14 0.00 -0.58 1.88 -1.05 0.00 0.00 178.15 178.54 1lxf h TYR 5 N 0.00 0.85 -0.98 0.16 -1.99 -1.77 -3.06 116.97 110.18 1lxf h TYR 5 Ca 0.69 -0.36 0.28 0.00 2.00 0.00 0.00 58.73 61.34 1lxf h TYR 5 Cb 3.07 -0.14 -0.04 0.00 2.00 0.00 0.00 36.73 41.62 1lxf h TYR 5 CO 0.00 1.16 1.04 0.87 -0.00 0.00 0.00 178.16 181.23 1lxf h LYS 6 N 0.30 0.00 0.06 4.88 1.79 0.36 0.94 116.57 124.90 1lxf h LYS 6 Ca -0.03 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.29 1lxf h LYS 6 Cb 1.21 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.88 1lxf h LYS 6 CO 0.12 0.00 -0.61 0.00 -1.08 0.00 0.00 179.45 177.88 1lxf h ALA 7 N 0.84 -0.01 0.00 3.86 0.00 -1.53 -0.56 119.26 121.86 1lxf h ALA 7 Ca 0.46 -0.61 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1lxf h ALA 7 Cb 2.54 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 20.38 1lxf h ALA 7 CO -0.00 0.30 -0.34 0.00 0.00 0.00 0.00 179.25 179.20 1lxf h ALA 8 N 0.18 1.38 0.00 0.00 0.00 0.70 -2.18 119.26 119.33 1lxf h ALA 8 Ca -0.09 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.33 1lxf h ALA 8 Cb 1.40 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 1lxf h ALA 8 CO 0.12 0.43 -1.08 -0.39 0.00 0.00 0.00 179.25 178.32 1lxf h VAL 9 N 0.00 0.91 0.28 0.00 -1.51 -1.00 -3.34 116.25 111.59 1lxf h VAL 9 Ca -0.00 -2.46 -0.01 0.00 -1.23 0.00 0.00 66.70 63.00 1lxf h VAL 9 Cb 0.63 2.38 0.00 0.00 -2.13 0.00 0.00 31.29 32.17 1lxf h VAL 9 CO 0.04 0.52 -0.14 -0.33 -1.23 0.00 0.00 177.57 176.44 1lxf h GLU 10 N 0.00 -0.36 -1.00 5.19 4.39 -0.68 -3.01 114.58 119.10 1lxf h GLU 10 Ca -0.10 0.02 0.25 0.00 0.34 0.00 0.00 59.36 59.88 1lxf h GLU 10 Cb 1.62 0.08 -0.19 0.00 -0.10 0.00 0.00 28.75 30.17 1lxf h GLU 10 CO 0.07 -0.04 -0.07 1.96 -1.16 0.00 0.00 179.01 179.77 1lxf h GLN 11 N -0.72 0.00 -6.09 2.33 4.20 -1.55 -3.39 115.11 109.89 1lxf h GLN 11 Ca -0.04 -0.00 -0.79 0.00 0.06 0.00 0.00 58.65 57.88 1lxf h GLN 11 Cb 0.49 -0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.29 1lxf h GLN 11 CO 0.06 0.00 0.64 1.28 -0.67 0.00 0.00 178.83 180.15 1lxf n LEU 12 N -5.54 1.52 -4.88 1.46 4.77 -1.14 -4.92 117.00 108.27 1lxf n LEU 12 Ca 0.21 1.13 -0.31 0.00 -0.03 0.00 0.00 56.01 57.02 1lxf n LEU 12 Cb 0.68 -1.02 -0.04 0.00 -2.33 0.00 0.00 43.42 40.71 1lxf n LEU 12 CO -0.09 -0.88 0.35 0.42 -1.33 0.00 0.00 177.39 175.87 1lxf s THR 13 N 2.41 4.84 0.49 -5.08 -4.23 -1.26 -4.85 115.64 107.96 1lxf s THR 13 Ca 0.98 0.55 0.44 0.00 -1.18 0.00 0.00 61.69 62.47 1lxf s THR 13 Cb -1.24 -3.69 0.65 0.00 1.34 0.00 0.00 72.50 69.57 1lxf s THR 13 CO 0.68 -0.35 1.39 -1.84 -0.54 0.00 0.00 174.62 173.96 1lxf n GLU 14 N -0.86 -0.00 0.00 3.99 0.28 -1.26 -1.20 120.64 121.59 1lxf n GLU 14 Ca 0.01 0.98 0.00 0.00 -0.16 0.00 0.00 57.16 57.99 1lxf n GLU 14 Cb 0.54 -2.23 0.00 0.00 1.43 0.00 0.00 31.44 31.17 1lxf n GLU 14 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1lxf n GLU 15 N -3.76 0.00 -0.24 3.44 1.02 -1.26 -0.75 120.64 119.09 1lxf n GLU 15 Ca 0.40 0.26 0.28 0.00 -0.02 0.00 0.00 57.16 58.08 1lxf n GLU 15 Cb 1.78 -1.26 0.67 0.00 -0.02 0.00 0.00 31.44 32.62 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 0.00 3.49 -0.00 -1.53 1.28 115.11 118.47 1lxf h GLN 16 Ca 0.00 -0.01 -0.05 0.00 -0.00 0.00 0.00 58.65 58.60 1lxf h GLN 16 Cb 0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.48 27.45 1lxf h GLN 16 CO 0.00 0.07 -0.22 -0.22 -0.00 0.00 0.00 178.83 178.46 1lxf h LYS 17 N 0.11 0.00 0.07 0.06 1.63 -1.09 -2.72 116.57 114.63 1lxf h LYS 17 Ca 0.49 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.29 1lxf h LYS 17 Cb 1.74 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.37 1lxf h LYS 17 CO -0.07 0.22 -0.03 -0.91 -3.45 0.00 0.00 179.45 175.20 1lxf h ASN 18 N 0.00 -0.08 -0.94 4.20 2.35 0.38 -1.56 115.58 119.93 1lxf h ASN 18 Ca -0.00 -0.50 0.27 0.00 -0.55 0.00 0.00 56.30 55.52 1lxf h ASN 18 Cb 0.54 0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.90 1lxf h ASN 18 CO 0.03 0.60 0.71 1.05 -1.65 0.00 0.00 177.43 178.17 1lxf h GLU 19 N -0.91 0.00 0.04 0.81 4.11 -1.37 0.35 114.58 117.61 1lxf h GLU 19 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 1lxf h GLU 19 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1lxf h GLU 19 CO 0.02 0.00 -0.02 0.74 0.07 0.00 0.00 179.01 179.82 1lxf h PHE 20 N 0.00 -0.04 -0.80 2.06 0.04 -1.48 -2.41 116.94 114.30 1lxf h PHE 20 Ca 0.45 -0.00 0.17 0.00 2.80 0.00 0.00 57.97 61.39 1lxf h PHE 20 Cb 1.86 0.01 -0.15 0.00 2.20 0.00 0.00 35.95 39.88 1lxf h PHE 20 CO 0.00 -0.03 -0.11 0.87 -0.60 0.00 0.00 178.31 178.44 1lxf h LYS 21 N -0.46 0.03 -0.49 1.51 1.79 -0.65 0.85 116.57 119.15 1lxf h LYS 21 Ca -0.00 -0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.51 1lxf h LYS 21 Cb 0.04 -0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 30.63 1lxf h LYS 21 CO 0.01 0.02 0.22 0.00 -1.08 0.00 0.00 179.45 178.62 1lxf h ALA 22 N 1.78 0.62 0.00 3.86 0.00 -0.46 0.17 119.26 125.23 1lxf h ALA 22 Ca 0.41 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.33 1lxf h ALA 22 Cb 0.69 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1lxf h ALA 22 CO -0.78 -0.14 -0.13 0.00 0.00 0.00 0.00 179.25 178.20 1lxf h ALA 23 N 1.28 1.39 0.00 0.00 0.00 0.87 -0.73 119.26 122.07 1lxf h ALA 23 Ca 0.22 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1lxf h ALA 23 Cb 0.17 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1lxf h ALA 23 CO -0.18 0.16 -0.17 0.74 0.00 0.00 0.00 179.25 179.81 1lxf h PHE 24 N 0.00 0.00 -0.00 0.00 0.04 0.34 0.33 116.94 117.65 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 0.32 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.47 1lxf h PHE 24 CO 0.00 0.17 0.00 -0.25 -0.60 0.00 0.00 178.31 177.63 1lxf n ASP 25 N -4.13 0.14 -0.03 2.17 9.92 -0.28 -2.77 116.55 121.56 1lxf n ASP 25 Ca -0.02 -1.09 -0.07 0.00 -0.53 0.00 0.00 54.79 53.08 1lxf n ASP 25 Cb 0.24 -0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.70 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 -0.87 0.36 -0.28 0.53 2.08 0.23 -3.69 119.36 117.72 1lxf n ILE 26 Ca 0.23 -0.09 0.03 0.00 0.56 0.00 0.00 62.75 63.47 1lxf n ILE 26 Cb 0.13 -1.56 0.17 0.00 -0.75 0.00 0.00 39.64 37.63 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 -0.22 0.78 -0.82 1.39 -1.00 -0.58 -2.17 116.94 114.33 1lxf h PHE 27 Ca -0.16 0.03 -0.56 0.00 2.81 0.00 0.00 57.97 60.09 1lxf h PHE 27 Cb 1.15 -0.23 -0.43 0.00 3.61 0.00 0.00 35.95 40.05 1lxf h PHE 27 CO -0.02 0.29 -0.79 1.33 -1.61 0.00 0.00 178.31 177.51 1lxf n VAL 28 N -4.79 2.53 0.86 -0.55 0.24 -1.11 -3.94 118.33 111.56 1lxf n VAL 28 Ca 0.13 -4.26 0.08 0.00 -2.04 0.00 0.00 64.34 58.25 1lxf n VAL 28 Cb 0.30 -1.15 0.44 0.00 -1.47 0.00 0.00 33.84 31.96 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 -0.69 0.00 -0.17 1.34 -0.00 -0.82 -2.22 117.00 114.45 1lxf n LEU 29 Ca 0.44 0.21 0.01 0.00 -0.00 0.00 0.00 56.01 56.67 1lxf n LEU 29 Cb 0.94 -0.21 0.02 0.00 -0.00 0.00 0.00 43.42 44.17 1lxf n LEU 29 CO 0.40 -0.10 0.33 0.61 -0.00 0.00 0.00 177.39 178.63 1lxf n GLY 30 N 0.10 0.05 0.00 1.47 0.00 -1.26 -5.00 105.19 100.55 1lxf n GLY 30 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.26 0.00 -0.01 4.61 0.00 -0.94 -5.09 120.51 118.82 1lxf n ALA 31 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.45 1lxf n ALA 31 Cb 0.54 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 -0.20 0.04 -0.03 0.00 2.13 -1.26 -4.96 120.64 116.35 1lxf n GLU 32 Ca 0.00 0.02 -0.04 0.00 0.66 0.00 0.00 57.16 57.80 1lxf n GLU 32 Cb 0.00 -0.56 -0.01 0.00 0.27 0.00 0.00 31.44 31.13 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 -2.65 0.79 -0.94 4.31 5.75 -1.26 -4.98 116.55 117.57 1lxf n ASP 33 Ca -0.01 0.13 -0.04 0.00 -0.01 0.00 0.00 54.79 54.86 1lxf n ASP 33 Cb 0.04 -0.58 -0.03 0.00 -1.03 0.00 0.00 41.12 39.52 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 1.59 0.21 3.79 6.12 0.00 -1.26 -5.02 105.19 110.62 1lxf n GLY 34 Ca -0.06 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.54 5.23 0.08 0.00 1.01 -0.10 -4.64 121.20 122.23 1lxf s ILE 36 Ca 0.26 -0.53 0.04 0.00 0.00 0.00 0.00 60.65 60.42 1lxf s ILE 36 Cb -0.17 -3.58 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 1lxf s ILE 36 CO 0.14 0.08 -0.10 -0.44 0.00 0.00 0.00 174.94 174.62 1lxf s SER 37 N -2.66 1.33 0.55 3.58 0.01 -1.26 -1.37 113.70 113.89 1lxf s SER 37 Ca 0.34 -0.71 0.35 0.00 1.31 0.00 0.00 55.95 57.24 1lxf s SER 37 Cb -0.12 0.01 1.52 0.00 0.21 0.00 0.00 66.02 67.63 1lxf s SER 37 CO 0.27 -0.22 1.81 0.71 0.41 0.00 0.00 173.24 176.22 1lxf h THR 38 N 3.93 0.41 0.03 1.44 1.35 -1.91 0.71 112.91 118.88 1lxf h THR 38 Ca -0.38 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1lxf h THR 38 Cb 1.19 0.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1lxf h THR 38 CO 0.48 0.00 -0.02 0.11 -0.25 0.00 0.00 175.52 175.84 1lxf h LYS 39 N 0.00 -0.04 0.11 4.72 1.79 -1.95 -3.03 116.57 118.17 1lxf h LYS 39 Ca 0.51 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 59.00 1lxf h LYS 39 Cb 2.12 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 32.73 1lxf h LYS 39 CO -0.01 0.44 -0.53 0.93 -1.08 0.00 0.00 179.45 179.20 1lxf h GLU 40 N -0.98 -0.72 -0.90 3.15 4.39 -1.36 -1.12 114.58 117.04 1lxf h GLU 40 Ca -0.00 0.05 0.23 0.00 0.34 0.00 0.00 59.36 59.97 1lxf h GLU 40 Cb 0.50 0.16 -0.13 0.00 -0.10 0.00 0.00 28.75 29.19 1lxf h GLU 40 CO 0.01 -0.48 0.40 1.25 -1.16 0.00 0.00 179.01 179.02 1lxf h LEU 41 N -0.75 0.33 -0.91 1.33 5.85 -1.06 0.28 115.31 120.38 1lxf h LEU 41 Ca -0.00 0.16 0.20 0.00 0.84 0.00 0.00 57.88 59.07 1lxf h LEU 41 Cb 0.76 0.14 -0.11 0.00 0.37 0.00 0.00 40.66 41.82 1lxf h LEU 41 CO -0.30 -0.01 0.46 1.23 -0.34 0.00 0.00 178.44 179.48 1lxf h GLY 42 N 0.39 1.57 0.92 3.75 0.00 -1.07 0.13 103.07 108.75 1lxf h GLY 42 Ca 0.57 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.62 1lxf h GLY 42 CO -0.54 -0.16 -0.38 0.50 0.00 0.00 0.00 176.54 175.96 1lxf h LYS 43 N 0.54 -1.01 -0.14 4.80 1.57 -0.17 -2.43 116.57 119.73 1lxf h LYS 43 Ca 0.54 0.07 0.05 0.00 -1.87 0.00 0.00 60.65 59.44 1lxf h LYS 43 Cb 0.93 0.23 -0.06 0.00 0.08 0.00 0.00 32.23 33.41 1lxf h LYS 43 CO -0.45 -0.66 -0.31 0.28 -0.57 0.00 0.00 179.45 177.74 1lxf h VAL 44 N -1.15 0.30 -0.84 0.50 2.07 -1.19 -1.92 116.25 114.03 1lxf h VAL 44 Ca -0.11 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.53 1lxf h VAL 44 Cb 0.82 0.30 -0.13 0.00 -1.52 0.00 0.00 31.29 30.76 1lxf h VAL 44 CO 0.18 0.00 -0.44 0.24 0.02 0.00 0.00 177.57 177.56 1lxf h MET 45 N -0.38 -0.08 -0.51 1.57 2.86 -0.77 2.09 114.93 119.72 1lxf h MET 45 Ca 0.10 0.01 0.15 0.00 -2.06 0.00 0.00 59.70 57.89 1lxf h MET 45 Cb 0.53 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 1lxf h MET 45 CO -0.35 -0.05 0.39 -0.09 1.06 0.00 0.00 176.91 177.87 1lxf h ARG 46 N -0.08 0.00 -0.31 1.72 2.43 -0.62 1.08 114.38 118.59 1lxf h ARG 46 Ca 0.25 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1lxf h ARG 46 Cb 0.54 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1lxf h ARG 46 CO -0.86 0.00 0.00 -1.33 -1.51 0.00 0.00 179.97 176.27 1lxf n MET 47 N -4.22 1.60 -0.00 0.20 2.81 0.70 -3.33 117.12 114.88 1lxf n MET 47 Ca 0.09 -0.82 0.00 0.00 -1.81 0.00 0.00 57.70 55.16 1lxf n MET 47 Cb 0.61 -1.25 -0.00 0.00 -0.71 0.00 0.00 33.22 31.87 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 0.16 0.00 0.00 4.03 4.32 0.37 -5.00 117.00 120.88 1lxf n LEU 48 Ca 0.08 -0.22 0.00 0.00 -0.02 0.00 0.00 56.01 55.84 1lxf n LEU 48 Cb 0.23 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.03 1lxf n LEU 48 CO 0.06 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.84 1lxf n GLY 49 N 1.83 1.48 2.98 -0.72 0.00 -0.94 -5.10 105.19 104.72 1lxf n GLY 49 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 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 0.47 -0.50 1.61 -0.21 -1.06 -5.03 119.66 114.93 1lxf s GLN 50 Ca 0.00 -0.31 0.03 0.00 0.02 0.00 0.00 55.36 55.11 1lxf s GLN 50 Cb 0.00 -0.41 0.14 0.00 1.00 0.00 0.00 33.01 33.74 1lxf s GLN 50 CO 0.00 0.11 0.27 1.21 -2.12 0.00 0.00 175.29 174.75 1lxf s ASN 51 N -0.41 4.02 0.61 5.90 2.47 -1.26 -1.79 114.94 124.49 1lxf s ASN 51 Ca -0.00 -2.91 0.00 0.00 0.42 0.00 0.00 52.86 50.37 1lxf s ASN 51 Cb -0.04 -1.37 0.00 0.00 -1.45 0.00 0.00 41.25 38.40 1lxf s ASN 51 CO -0.00 -0.23 0.00 -0.81 -3.72 0.00 0.00 177.10 172.33 1lxf n PRO 52 N 3.21 0.46 -4.57 0.43 -0.04 -1.26 -5.09 135.00 128.13 1lxf n PRO 52 Ca 0.08 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.27 1lxf n PRO 52 Cb 0.34 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.70 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 -0.45 1.09 -0.33 0.52 -4.23 -1.26 -5.03 115.64 105.94 1lxf s THR 53 Ca 0.00 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 58.71 1lxf s THR 53 Cb 0.00 -2.52 0.22 0.00 1.34 0.00 0.00 72.50 71.54 1lxf s THR 53 CO 0.00 0.00 1.52 1.55 -0.54 0.00 0.00 174.62 177.15 1lxf h PRO 54 N 1.77 0.00 0.00 3.99 0.13 -1.99 -1.54 132.00 134.37 1lxf h PRO 54 Ca -0.40 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.53 1lxf h PRO 54 Cb 1.27 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 1lxf h PRO 54 CO 0.68 0.19 -1.28 0.93 -0.23 0.00 0.00 178.00 178.29 1lxf h GLU 55 N 0.00 0.00 0.00 0.86 5.08 -1.97 -3.17 114.58 115.37 1lxf h GLU 55 Ca -0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 1lxf h GLU 55 Cb 1.15 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.36 1lxf h GLU 55 CO 0.02 0.48 -1.57 0.39 -1.00 0.00 0.00 179.01 177.33 1lxf n GLU 56 N -3.05 0.63 0.19 2.33 1.02 -1.23 -4.04 120.64 116.48 1lxf n GLU 56 Ca -0.08 0.26 -0.11 0.00 -0.02 0.00 0.00 57.16 57.20 1lxf n GLU 56 Cb 0.89 -1.80 -0.06 0.00 -0.02 0.00 0.00 31.44 30.45 1lxf n GLU 56 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1lxf h LEU 57 N 0.00 -0.45 -1.78 -4.62 3.38 -1.40 -3.03 115.31 107.41 1lxf h LEU 57 Ca -0.23 -0.10 0.31 0.00 0.09 0.00 0.00 57.88 57.95 1lxf h LEU 57 Cb 1.80 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 42.62 1lxf h LEU 57 CO 0.06 -0.02 0.92 -0.61 0.09 0.00 0.00 178.44 178.88 1lxf h GLN 58 N -1.02 0.00 0.00 1.13 -0.00 -1.74 2.11 115.11 115.59 1lxf h GLN 58 Ca -0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.57 1lxf h GLN 58 Cb 0.53 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.00 1lxf h GLN 58 CO 0.09 0.00 -0.13 0.93 0.00 0.00 0.00 178.83 179.72 1lxf h GLU 59 N 0.00 0.00 0.03 1.69 5.08 -1.67 -1.65 114.58 118.06 1lxf h GLU 59 Ca 0.51 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.62 1lxf h GLU 59 Cb 2.35 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.61 1lxf h GLU 59 CO -0.01 0.13 -1.04 0.52 -1.00 0.00 0.00 179.01 177.62 1lxf h MET 60 N 0.00 0.50 -0.46 2.33 2.86 0.34 -3.21 114.93 117.28 1lxf h MET 60 Ca -0.00 -0.57 -0.08 0.00 -2.06 0.00 0.00 59.70 56.98 1lxf h MET 60 Cb 0.31 0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 1lxf h MET 60 CO 0.02 1.21 -0.04 0.82 1.06 0.00 0.00 176.91 179.97 1lxf h ILE 61 N 0.26 1.25 -0.10 -1.22 5.03 -1.25 -1.94 117.51 119.55 1lxf h ILE 61 Ca -0.11 -1.06 0.03 0.00 -0.12 0.00 0.00 64.86 63.59 1lxf h ILE 61 Cb 1.69 0.94 -0.00 0.00 -3.03 0.00 0.00 36.82 36.41 1lxf h ILE 61 CO 0.19 0.37 0.19 0.44 -0.68 0.00 0.00 178.15 178.66 1lxf h ASP 62 N 0.73 0.00 1.61 1.72 3.32 -1.33 2.45 116.42 124.92 1lxf h ASP 62 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1lxf h ASP 62 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1lxf h ASP 62 CO 0.03 0.00 0.00 -0.33 -1.72 0.00 0.00 179.24 177.22 1lxf h GLU 63 N 0.00 0.00 0.00 3.56 5.08 -1.42 -3.29 114.58 118.51 1lxf h GLU 63 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1lxf h GLU 63 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1lxf h GLU 63 CO -0.00 0.00 -0.69 1.33 -1.00 0.00 0.00 179.01 178.65 1lxf n VAL 64 N -2.92 0.00 -0.84 3.13 0.24 0.20 -4.79 118.33 113.34 1lxf n VAL 64 Ca 0.03 -0.16 -0.21 0.00 -2.04 0.00 0.00 64.34 61.97 1lxf n VAL 64 Cb 0.44 0.65 -0.06 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 -1.35 5.30 0.04 -1.34 9.92 0.77 -4.31 116.55 125.58 1lxf n ASP 65 Ca -0.00 -2.33 0.13 0.00 -0.53 0.00 0.00 54.79 52.07 1lxf n ASP 65 Cb 0.00 -1.16 0.47 0.00 -0.64 0.00 0.00 41.12 39.80 1lxf n ASP 65 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1lxf n GLU 66 N 3.53 0.11 0.01 -1.24 1.02 -1.26 -3.09 120.64 119.71 1lxf n GLU 66 Ca 0.47 0.08 0.11 0.00 -0.02 0.00 0.00 57.16 57.79 1lxf n GLU 66 Cb 0.33 -1.61 -0.08 0.00 -0.02 0.00 0.00 31.44 30.06 1lxf n GLU 66 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1lxf n ASP 67 N -1.79 0.62 -0.91 1.62 5.68 -1.26 -4.98 116.55 115.53 1lxf n ASP 67 Ca 0.06 -0.49 -0.06 0.00 -0.50 0.00 0.00 54.79 53.80 1lxf n ASP 67 Cb 0.38 1.17 0.01 0.00 -1.14 0.00 0.00 41.12 41.54 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 1.40 0.34 0.08 6.12 0.00 -1.18 -4.95 105.19 107.00 1lxf n GLY 68 Ca 0.01 -0.57 -0.08 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.31 0.00 0.00 1.61 4.64 -1.94 -3.48 113.55 114.08 1lxf h SER 69 Ca -0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1lxf h SER 69 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1lxf h SER 69 CO 0.15 0.99 0.00 0.61 -0.87 0.00 0.00 176.83 177.71 1lxf n GLY 70 N 1.50 0.79 0.00 -0.77 0.00 -1.26 -5.04 105.19 100.41 1lxf n GLY 70 Ca -0.12 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.38 0.00 -3.68 2.61 -2.24 -1.26 -4.81 114.28 102.53 1lxf n THR 71 Ca 0.00 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 1lxf n THR 71 Cb 0.00 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.10 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 -2.49 1.07 0.03 2.28 1.01 -0.47 -4.43 120.40 117.40 1lxf s VAL 72 Ca 0.00 -2.10 -0.00 0.00 0.00 0.00 0.00 61.98 59.87 1lxf s VAL 72 Cb 0.00 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.62 1lxf s VAL 72 CO 0.00 -0.85 0.02 -0.90 0.00 0.00 0.00 175.10 173.37 1lxf n ASP 73 N 3.99 -1.56 0.12 3.32 5.68 -1.26 -0.93 116.55 125.91 1lxf n ASP 73 Ca 0.06 -0.02 -0.00 0.00 -0.50 0.00 0.00 54.79 54.33 1lxf n ASP 73 Cb 0.37 -0.02 0.07 0.00 -1.14 0.00 0.00 41.12 40.40 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 -1.79 0.00 0.00 2.11 3.57 -1.93 -3.03 116.94 115.87 1lxf h PHE 74 Ca -0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1lxf h PHE 74 Cb 0.02 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.76 1lxf h PHE 74 CO 0.00 0.65 0.00 -0.25 -2.23 0.00 0.00 178.31 176.48 1lxf n ASP 75 N -3.42 0.00 -0.34 0.41 8.00 -1.26 -3.74 116.55 116.21 1lxf n ASP 75 Ca 0.00 0.58 0.23 0.00 0.71 0.00 0.00 54.79 56.32 1lxf n ASP 75 Cb 0.73 -0.36 0.50 0.00 -0.02 0.00 0.00 41.12 41.97 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 0.38 0.00 -1.24 4.11 -1.92 -3.12 114.58 112.79 1lxf h GLU 76 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1lxf h GLU 76 Cb 0.00 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1lxf h GLU 76 CO 0.00 0.25 0.00 0.34 0.07 0.00 0.00 179.01 179.67 1lxf n PHE 77 N -4.71 0.00 -0.26 2.06 7.35 -1.15 -0.43 117.46 120.32 1lxf n PHE 77 Ca 0.27 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.99 1lxf n PHE 77 Cb 0.91 0.00 0.08 0.00 0.35 0.00 0.00 39.48 40.83 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 -0.22 -0.30 -0.03 -2.13 4.77 -1.19 -0.25 117.00 117.65 1lxf n LEU 78 Ca 0.00 1.23 -0.07 0.00 -0.03 0.00 0.00 56.01 57.14 1lxf n LEU 78 Cb 0.00 -0.35 -0.05 0.00 -2.33 0.00 0.00 43.42 40.69 1lxf n LEU 78 CO 0.00 -1.16 0.50 0.58 -1.33 0.00 0.00 177.39 175.98 1lxf h VAL 79 N 0.00 0.00 -0.74 4.08 2.07 -1.37 0.90 116.25 121.19 1lxf h VAL 79 Ca 0.32 0.00 0.22 0.00 0.82 0.00 0.00 66.70 68.06 1lxf h VAL 79 Cb 0.50 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 1lxf h VAL 79 CO -0.73 0.00 0.58 -0.03 0.02 0.00 0.00 177.57 177.42 1lxf h MET 80 N -0.24 0.00 0.03 1.57 1.85 0.22 2.50 114.93 120.86 1lxf h MET 80 Ca 0.02 0.00 -0.24 0.00 -0.61 0.00 0.00 59.70 58.87 1lxf h MET 80 Cb 0.31 0.00 0.01 0.00 0.43 0.00 0.00 31.60 32.35 1lxf h MET 80 CO -0.24 0.00 -1.02 0.52 -0.40 0.00 0.00 176.91 175.77 1lxf h MET 81 N 0.00 0.45 0.06 0.39 2.07 0.74 -2.97 114.93 115.66 1lxf h MET 81 Ca 0.35 -0.52 -0.31 0.00 -2.07 0.00 0.00 59.70 57.15 1lxf h MET 81 Cb 1.52 0.16 -0.03 0.00 -1.87 0.00 0.00 31.60 31.37 1lxf h MET 81 CO -0.00 1.17 -1.75 -0.24 1.07 0.00 0.00 176.91 177.16 1lxf h VAL 82 N 0.24 0.86 0.00 -2.22 3.04 0.47 -3.34 116.25 115.29 1lxf h VAL 82 Ca -0.10 -2.63 -0.02 0.00 -1.01 0.00 0.00 66.70 62.94 1lxf h VAL 82 Cb 1.67 2.52 -0.00 0.00 -2.01 0.00 0.00 31.29 33.47 1lxf h VAL 82 CO 0.18 0.69 -0.09 -0.09 -1.01 0.00 0.00 177.57 177.24 1lxf h ARG 83 N 0.03 0.00 -0.00 4.17 2.43 0.40 -0.05 114.38 121.35 1lxf h ARG 83 Ca -0.31 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 1lxf h ARG 83 Cb 2.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.56 1lxf h ARG 83 CO 0.10 0.09 -0.13 0.00 -1.51 0.00 0.00 179.97 178.52 1lxf h MET 85 N 0.29 0.41 0.36 0.00 2.86 -1.13 -3.24 114.93 114.47 1lxf h MET 85 Ca 0.00 -0.70 -0.02 0.00 -2.06 0.00 0.00 59.70 56.92 1lxf h MET 85 Cb 0.40 0.26 0.00 0.00 0.06 0.00 0.00 31.60 32.33 1lxf h MET 85 CO 0.00 1.33 -0.17 0.87 1.06 0.00 0.00 176.91 180.00 1lxf h LYS 86 N 0.11 -0.46 -1.47 1.72 6.56 -1.61 -3.45 116.57 117.97 1lxf h LYS 86 Ca -0.21 0.03 -0.18 0.00 -1.06 0.00 0.00 60.65 59.23 1lxf h LYS 86 Cb 2.08 0.10 -0.25 0.00 -0.57 0.00 0.00 32.23 33.59 1lxf h LYS 86 CO 0.24 -0.31 -0.54 -0.51 -2.06 0.00 0.00 179.45 176.27 1lxf s ASP 87 N -4.18 -0.22 -0.79 0.86 1.01 -1.24 -5.09 116.67 107.02 1lxf s ASP 87 Ca -0.07 -0.81 -0.30 0.00 0.71 0.00 0.00 52.55 52.08 1lxf s ASP 87 Cb 0.01 1.32 -0.17 0.00 1.01 0.00 0.00 42.92 45.09 1lxf s ASP 87 CO 0.21 -0.26 2.57 -0.90 0.21 0.00 0.00 175.17 177.00 1lxf n ASP 88 N 4.73 1.03 0.00 0.27 5.75 -1.22 -4.81 116.55 122.29 1lxf n ASP 88 Ca 0.08 -0.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.85 1lxf n ASP 88 Cb 0.51 -1.15 0.00 0.00 -1.03 0.00 0.00 41.12 39.45 1lxf n ASP 88 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85