#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 3.45 -0.19 7.83 9.92 -1.26 -4.62 116.55 131.69 1lxf n ASP 2 Ca 0.00 -3.27 -0.09 0.00 -0.53 0.00 0.00 54.79 50.89 1lxf n ASP 2 Cb 0.00 -0.58 0.01 0.00 -0.64 0.00 0.00 41.12 39.91 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 1.52 0.92 -0.60 -2.24 5.19 -2.06 -2.31 116.42 116.85 1lxf h ASP 3 Ca 0.09 -0.30 0.17 0.00 -0.62 0.00 0.00 57.03 56.38 1lxf h ASP 3 Cb 1.57 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 40.81 1lxf h ASP 3 CO 0.31 1.00 0.72 0.16 -3.12 0.00 0.00 179.24 178.30 1lxf h ILE 4 N 0.82 0.21 0.00 0.35 -2.65 -2.02 -0.28 117.51 113.95 1lxf h ILE 4 Ca 0.15 0.00 -0.16 0.00 1.03 0.00 0.00 64.86 65.88 1lxf h ILE 4 Cb 0.52 0.42 -0.02 0.00 -2.05 0.00 0.00 36.82 35.68 1lxf h ILE 4 CO 0.03 0.00 -0.98 1.88 0.03 0.00 0.00 178.15 179.10 1lxf h TYR 5 N 0.00 0.00 -1.09 0.16 0.05 -1.79 -3.27 116.97 111.03 1lxf h TYR 5 Ca 0.28 0.00 0.40 0.00 0.05 0.00 0.00 58.73 59.46 1lxf h TYR 5 Cb 1.71 0.00 -0.16 0.00 1.01 0.00 0.00 36.73 39.30 1lxf h TYR 5 CO 0.00 1.15 0.64 0.87 -1.05 0.00 0.00 178.16 179.76 1lxf h LYS 6 N -1.00 0.12 0.09 4.88 1.79 -0.72 1.03 116.57 122.76 1lxf h LYS 6 Ca -0.25 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.21 1lxf h LYS 6 Cb 1.10 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.73 1lxf h LYS 6 CO -0.15 0.08 -0.04 0.00 -1.08 0.00 0.00 179.45 178.26 1lxf h ALA 7 N 1.84 -0.65 -0.35 3.86 0.00 -1.51 0.33 119.26 122.78 1lxf h ALA 7 Ca 0.81 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.79 1lxf h ALA 7 Cb 2.17 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.99 1lxf h ALA 7 CO -0.62 -0.65 0.53 0.00 0.00 0.00 0.00 179.25 178.51 1lxf h ALA 8 N -1.90 1.99 0.00 0.00 0.00 -1.29 1.80 119.26 119.86 1lxf h ALA 8 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1lxf h ALA 8 Cb 0.09 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1lxf h ALA 8 CO 0.02 -0.71 -0.70 0.28 0.00 0.00 0.00 179.25 178.14 1lxf h VAL 9 N 0.00 0.00 0.00 0.00 2.07 0.12 -3.29 116.25 115.15 1lxf h VAL 9 Ca 0.16 -0.93 -0.16 0.00 0.82 0.00 0.00 66.70 66.59 1lxf h VAL 9 Cb 1.22 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 32.54 1lxf h VAL 9 CO -0.00 0.00 -1.11 -0.33 0.02 0.00 0.00 177.57 176.15 1lxf h GLU 10 N 0.00 0.00 -0.73 1.57 4.39 0.67 -3.32 114.58 117.17 1lxf h GLU 10 Ca 0.00 0.00 0.15 0.00 0.34 0.00 0.00 59.36 59.85 1lxf h GLU 10 Cb 0.97 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.51 1lxf h GLU 10 CO 0.00 0.44 0.22 1.96 -1.16 0.00 0.00 179.01 180.47 1lxf h GLN 11 N 0.00 0.32 -6.64 2.33 1.08 -1.06 -3.42 115.11 107.72 1lxf h GLN 11 Ca -0.11 -0.02 -0.52 0.00 -1.45 0.00 0.00 58.65 56.55 1lxf h GLN 11 Cb 1.58 -0.07 0.22 0.00 -0.05 0.00 0.00 27.48 29.16 1lxf h GLN 11 CO 0.06 0.21 -0.87 1.28 -0.95 0.00 0.00 178.83 178.56 1lxf n LEU 12 N -5.10 -1.39 -4.76 1.46 4.77 -1.25 -5.00 117.00 105.74 1lxf n LEU 12 Ca 0.14 0.24 -0.23 0.00 -0.03 0.00 0.00 56.01 56.13 1lxf n LEU 12 Cb 0.43 -1.10 -0.06 0.00 -2.33 0.00 0.00 43.42 40.37 1lxf n LEU 12 CO 0.15 -3.89 -0.23 0.42 -1.33 0.00 0.00 177.39 172.51 1lxf s THR 13 N -2.31 4.11 0.58 -5.08 -4.23 -1.26 -4.96 115.64 102.48 1lxf s THR 13 Ca 0.54 -1.51 0.37 0.00 -1.18 0.00 0.00 61.69 59.91 1lxf s THR 13 Cb -0.19 -3.19 0.54 0.00 1.34 0.00 0.00 72.50 71.01 1lxf s THR 13 CO 0.69 -0.31 1.55 1.05 -0.54 0.00 0.00 174.62 177.07 1lxf h GLU 14 N 1.81 0.00 0.00 3.99 4.11 -1.95 -1.38 114.58 121.16 1lxf h GLU 14 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1lxf h GLU 14 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1lxf h GLU 14 CO 0.61 0.00 0.00 0.39 0.07 0.00 0.00 179.01 180.08 1lxf n GLU 15 N -3.70 0.00 -0.35 1.06 1.02 -1.26 -2.48 120.64 114.93 1lxf n GLU 15 Ca 0.30 0.26 0.14 0.00 -0.02 0.00 0.00 57.16 57.83 1lxf n GLU 15 Cb 1.56 -1.23 0.34 0.00 -0.02 0.00 0.00 31.44 32.10 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 0.70 -0.13 3.49 -0.00 -1.77 0.73 115.11 118.13 1lxf h GLN 16 Ca 0.00 -0.04 0.04 0.00 -0.00 0.00 0.00 58.65 58.64 1lxf h GLN 16 Cb 0.00 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.48 27.32 1lxf h GLN 16 CO 0.00 0.46 0.44 0.87 -0.00 0.00 0.00 178.83 180.60 1lxf h LYS 17 N 0.72 0.00 0.00 0.06 1.79 -1.26 -1.65 116.57 116.23 1lxf h LYS 17 Ca 0.60 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.07 1lxf h LYS 17 Cb 0.99 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.64 1lxf h LYS 17 CO -0.40 0.00 -0.04 -0.91 -1.08 0.00 0.00 179.45 177.01 1lxf h ASN 18 N 0.00 0.00 -0.90 0.86 2.35 0.80 -3.33 115.58 115.36 1lxf h ASN 18 Ca 0.06 0.00 0.36 0.00 -0.55 0.00 0.00 56.30 56.17 1lxf h ASN 18 Cb 0.94 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 39.15 1lxf h ASN 18 CO -0.00 0.09 0.42 -1.84 -1.65 0.00 0.00 177.43 174.45 1lxf n GLU 19 N -2.51 -0.06 0.17 0.81 0.28 -1.04 0.17 120.64 118.46 1lxf n GLU 19 Ca -0.01 1.26 -0.17 0.00 -0.16 0.00 0.00 57.16 58.08 1lxf n GLU 19 Cb 0.02 -2.22 -0.10 0.00 1.43 0.00 0.00 31.44 30.57 1lxf n GLU 19 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1lxf h PHE 20 N 0.00 -1.50 -1.02 -1.84 3.04 -1.48 0.21 116.94 114.36 1lxf h PHE 20 Ca 0.74 0.03 0.30 0.00 3.98 0.00 0.00 57.97 63.01 1lxf h PHE 20 Cb 1.90 0.62 -0.04 0.00 2.56 0.00 0.00 35.95 40.99 1lxf h PHE 20 CO -0.07 -0.63 0.97 0.87 -2.02 0.00 0.00 178.31 177.43 1lxf h LYS 21 N -0.84 0.00 0.11 1.11 1.57 -0.38 -1.33 116.57 116.81 1lxf h LYS 21 Ca -0.03 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1lxf h LYS 21 Cb 0.80 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 1lxf h LYS 21 CO -0.21 0.00 -0.09 0.00 -0.57 0.00 0.00 179.45 178.58 1lxf h ALA 22 N 1.01 -0.88 -1.20 3.86 0.00 -0.83 -1.64 119.26 119.57 1lxf h ALA 22 Ca 0.48 -0.04 0.35 0.00 0.00 0.00 0.00 54.91 55.70 1lxf h ALA 22 Cb 2.42 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 20.44 1lxf h ALA 22 CO -0.01 -0.88 0.90 0.00 0.00 0.00 0.00 179.25 179.26 1lxf h ALA 23 N -1.68 3.12 0.00 0.00 0.00 -1.28 1.68 119.26 121.10 1lxf h ALA 23 Ca -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1lxf h ALA 23 Cb 0.16 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1lxf h ALA 23 CO 0.00 -1.52 -0.01 0.74 0.00 0.00 0.00 179.25 178.47 1lxf h PHE 24 N 0.00 0.00 0.00 0.00 0.04 -1.13 1.79 116.94 117.63 1lxf h PHE 24 Ca 0.57 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.34 1lxf h PHE 24 Cb 2.36 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.51 1lxf h PHE 24 CO 0.00 0.01 0.00 -0.44 -0.60 0.00 0.00 178.31 177.28 1lxf h ASP 25 N 0.00 0.00 0.00 2.17 3.32 0.28 -2.94 116.42 119.25 1lxf h ASP 25 Ca -0.00 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.72 1lxf h ASP 25 Cb 0.02 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.51 1lxf h ASP 25 CO 0.00 0.00 -2.24 -0.38 -1.72 0.00 0.00 179.24 174.90 1lxf n ILE 26 N -3.00 1.24 0.34 0.35 -0.00 0.86 -2.65 119.36 116.50 1lxf n ILE 26 Ca 0.03 -0.64 -0.17 0.00 -0.00 0.00 0.00 62.75 61.97 1lxf n ILE 26 Cb 0.47 -0.87 -0.09 0.00 -0.00 0.00 0.00 39.64 39.16 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 0.00 -0.80 -0.66 1.39 0.04 0.25 -2.76 116.94 114.39 1lxf h PHE 27 Ca -0.49 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.27 1lxf h PHE 27 Cb 1.95 0.27 0.00 0.00 2.20 0.00 0.00 35.95 40.37 1lxf h PHE 27 CO 0.01 -0.49 0.00 1.33 -0.60 0.00 0.00 178.31 178.56 1lxf n VAL 28 N -5.46 1.88 -1.60 -0.55 0.24 -1.11 -4.31 118.33 107.42 1lxf n VAL 28 Ca -0.13 -1.20 -0.64 0.00 -2.04 0.00 0.00 64.34 60.32 1lxf n VAL 28 Cb 0.35 0.12 -0.10 0.00 -1.47 0.00 0.00 33.84 32.73 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 1.16 1.08 -2.32 1.34 -0.00 -1.04 0.65 117.00 117.87 1lxf n LEU 29 Ca 0.26 1.06 -0.12 0.00 -0.00 0.00 0.00 56.01 57.21 1lxf n LEU 29 Cb 0.91 -0.86 0.05 0.00 -0.00 0.00 0.00 43.42 43.52 1lxf n LEU 29 CO 0.25 -0.80 0.11 0.61 -0.00 0.00 0.00 177.39 177.55 1lxf n GLY 30 N 4.58 0.05 1.76 1.47 0.00 -1.26 -4.99 105.19 106.79 1lxf n GLY 30 Ca 0.35 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.42 0.48 -0.09 4.61 0.00 0.21 -5.08 120.51 117.22 1lxf n ALA 31 Ca -0.07 -0.98 -0.13 0.00 0.00 0.00 0.00 53.44 52.26 1lxf n ALA 31 Cb 0.56 0.33 -0.05 0.00 0.00 0.00 0.00 19.45 20.29 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 0.51 -0.00 0.00 0.00 -1.26 -4.92 120.64 113.61 1lxf n GLU 32 Ca 0.04 0.42 -0.00 0.00 0.00 0.00 0.00 57.16 57.62 1lxf n GLU 32 Cb 0.28 -1.61 -0.00 0.00 0.00 0.00 0.00 31.44 30.10 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 -4.49 0.02 0.00 4.31 5.75 -1.26 -5.05 116.55 115.83 1lxf n ASP 33 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.58 1lxf n ASP 33 Cb 0.50 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 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 2.38 0.00 3.38 6.12 0.00 -1.26 -5.01 105.19 110.81 1lxf n GLY 34 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.04 4.42 0.34 0.00 1.01 0.63 -4.52 121.20 122.05 1lxf s ILE 36 Ca 0.14 -0.66 0.04 0.00 0.00 0.00 0.00 60.65 60.17 1lxf s ILE 36 Cb -0.10 -3.05 -0.06 0.00 0.01 0.00 0.00 42.46 39.25 1lxf s ILE 36 CO 0.06 0.25 0.05 -0.94 0.00 0.00 0.00 174.94 174.36 1lxf s SER 37 N -1.98 2.64 0.55 3.58 1.04 -1.26 0.20 113.70 118.47 1lxf s SER 37 Ca 0.25 -1.39 0.29 0.00 0.48 0.00 0.00 55.95 55.58 1lxf s SER 37 Cb -0.12 -0.11 1.46 0.00 0.10 0.00 0.00 66.02 67.35 1lxf s SER 37 CO 0.16 -0.59 1.92 0.71 0.98 0.00 0.00 173.24 176.42 1lxf h THR 38 N 2.04 0.56 0.00 2.02 1.35 -1.88 0.21 112.91 117.21 1lxf h THR 38 Ca -0.41 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1lxf h THR 38 Cb 1.24 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 1lxf h THR 38 CO 0.71 0.00 -0.15 0.11 -0.25 0.00 0.00 175.52 175.94 1lxf h LYS 39 N 0.00 0.00 -1.09 4.72 1.79 -1.94 -3.00 116.57 117.05 1lxf h LYS 39 Ca 0.32 0.00 0.32 0.00 -2.18 0.00 0.00 60.65 59.10 1lxf h LYS 39 Cb 1.36 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.96 1lxf h LYS 39 CO -0.00 0.00 1.00 0.93 -1.08 0.00 0.00 179.45 180.29 1lxf h GLU 40 N -0.52 0.00 0.11 3.15 3.07 -1.80 0.20 114.58 118.79 1lxf h GLU 40 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1lxf h GLU 40 Cb 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 1lxf h GLU 40 CO 0.00 0.00 -0.05 1.25 -1.40 0.00 0.00 179.01 178.81 1lxf h LEU 41 N 0.00 -0.13 -0.99 1.33 5.85 -0.73 -3.30 115.31 117.35 1lxf h LEU 41 Ca 0.52 -0.31 0.35 0.00 0.84 0.00 0.00 57.88 59.28 1lxf h LEU 41 Cb 2.51 0.03 -0.18 0.00 0.37 0.00 0.00 40.66 43.39 1lxf h LEU 41 CO -0.01 0.48 0.37 1.23 -0.34 0.00 0.00 178.44 180.17 1lxf h GLY 42 N -0.97 1.88 0.25 3.75 0.00 -0.47 0.39 103.07 107.90 1lxf h GLY 42 Ca -0.02 -0.06 0.04 0.00 0.00 0.00 0.00 47.33 47.29 1lxf h GLY 42 CO 0.03 -0.66 -0.33 0.50 0.00 0.00 0.00 176.54 176.08 1lxf h LYS 43 N 0.05 -0.44 -0.05 4.80 1.57 -1.53 -0.28 116.57 120.69 1lxf h LYS 43 Ca 0.74 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 59.59 1lxf h LYS 43 Cb 1.80 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 34.16 1lxf h LYS 43 CO -0.79 -0.30 -0.38 0.28 -0.57 0.00 0.00 179.45 177.69 1lxf h VAL 44 N -0.46 0.20 -0.62 0.50 2.07 -0.32 -1.58 116.25 116.04 1lxf h VAL 44 Ca 0.07 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.71 1lxf h VAL 44 Cb 0.56 0.20 -0.12 0.00 -1.52 0.00 0.00 31.29 30.42 1lxf h VAL 44 CO -0.30 0.00 -0.18 0.24 0.02 0.00 0.00 177.57 177.35 1lxf h MET 45 N -0.51 -0.02 -0.21 1.57 2.86 -1.02 -0.49 114.93 117.10 1lxf h MET 45 Ca 0.06 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.74 1lxf h MET 45 Cb 0.61 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.22 1lxf h MET 45 CO -0.33 -0.02 -0.41 -0.09 1.06 0.00 0.00 176.91 177.13 1lxf h ARG 46 N -0.03 -0.34 -0.54 1.72 1.12 0.11 -1.02 114.38 115.40 1lxf h ARG 46 Ca 0.30 0.02 0.11 0.00 -1.11 0.00 0.00 59.98 59.29 1lxf h ARG 46 Cb 0.48 0.08 -0.11 0.00 -0.01 0.00 0.00 29.97 30.41 1lxf h ARG 46 CO -0.65 -0.23 -0.24 0.52 -3.11 0.00 0.00 179.97 176.25 1lxf h MET 47 N -0.36 -0.11 0.00 0.20 0.00 -0.64 -3.16 114.93 110.86 1lxf h MET 47 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 59.70 59.75 1lxf h MET 47 Cb 0.47 0.02 0.00 0.00 0.00 0.00 0.00 31.60 32.09 1lxf h MET 47 CO -0.39 -0.07 0.00 1.28 0.00 0.00 0.00 176.91 177.73 1lxf n LEU 48 N -5.42 0.00 -0.88 1.22 4.32 -0.29 -4.85 117.00 111.09 1lxf n LEU 48 Ca 0.05 0.17 -0.01 0.00 -0.02 0.00 0.00 56.01 56.19 1lxf n LEU 48 Cb 0.33 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.13 1lxf n LEU 48 CO 0.05 0.00 0.13 0.61 -1.22 0.00 0.00 177.39 176.96 1lxf n GLY 49 N -0.27 -0.37 3.28 -0.72 0.00 -0.58 -5.10 105.19 101.42 1lxf n GLY 49 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 0.01 0.51 -0.54 1.61 1.11 -0.69 -5.02 119.66 116.63 1lxf s GLN 50 Ca 0.00 0.40 0.04 0.00 0.01 0.00 0.00 55.36 55.82 1lxf s GLN 50 Cb 0.02 0.24 0.14 0.00 -1.01 0.00 0.00 33.01 32.40 1lxf s GLN 50 CO -0.01 -0.08 0.31 1.21 0.01 0.00 0.00 175.29 176.74 1lxf s ASN 51 N -0.10 4.19 0.97 5.90 3.04 -1.26 -0.33 114.94 127.35 1lxf s ASN 51 Ca -0.03 -3.14 -0.14 0.00 0.04 0.00 0.00 52.86 49.59 1lxf s ASN 51 Cb -0.03 -1.47 0.21 0.00 -1.54 0.00 0.00 41.25 38.42 1lxf s ASN 51 CO 0.01 -0.20 1.26 -0.81 -3.04 0.00 0.00 177.10 174.33 1lxf n PRO 52 N 2.91 -1.14 -4.03 0.43 -0.04 -1.26 -5.05 135.00 126.82 1lxf n PRO 52 Ca 0.10 -2.07 -0.27 0.00 -0.04 0.00 0.00 63.50 61.22 1lxf n PRO 52 Cb 0.34 -1.26 -0.02 0.00 -0.04 0.00 0.00 33.50 32.52 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 -3.74 1.62 -0.80 0.52 -4.23 -1.26 -5.00 115.64 102.75 1lxf s THR 53 Ca 0.72 -1.58 0.27 0.00 -1.18 0.00 0.00 61.69 59.92 1lxf s THR 53 Cb -0.02 -2.20 0.26 0.00 1.34 0.00 0.00 72.50 71.88 1lxf s THR 53 CO 0.51 0.00 1.79 -0.81 -0.54 0.00 0.00 174.62 175.57 1lxf n PRO 54 N -1.66 0.19 0.05 3.99 -0.04 -1.26 -2.04 135.00 134.23 1lxf n PRO 54 Ca -0.04 0.15 -0.22 0.00 -0.04 0.00 0.00 63.50 63.35 1lxf n PRO 54 Cb 0.65 -1.72 -0.14 0.00 -0.04 0.00 0.00 33.50 32.24 1lxf n PRO 54 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1lxf h GLU 55 N 0.00 0.34 0.00 0.54 4.39 -1.95 -2.98 114.58 114.91 1lxf h GLU 55 Ca 0.00 -0.58 -0.07 0.00 0.34 0.00 0.00 59.36 59.05 1lxf h GLU 55 Cb 0.68 0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.53 1lxf h GLU 55 CO 0.00 1.28 -0.41 0.93 -1.16 0.00 0.00 179.01 179.65 1lxf h GLU 56 N -0.02 0.00 0.06 2.33 5.08 -1.98 -3.34 114.58 116.71 1lxf h GLU 56 Ca -0.34 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1lxf h GLU 56 Cb 1.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.24 1lxf h GLU 56 CO 0.13 0.29 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.33 1lxf h LEU 57 N 0.00 -0.06 -1.71 1.33 3.38 -1.54 -3.23 115.31 113.47 1lxf h LEU 57 Ca -0.01 -0.57 0.48 0.00 0.09 0.00 0.00 57.88 57.87 1lxf h LEU 57 Cb 1.24 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.91 1lxf h LEU 57 CO 0.04 0.65 1.08 -0.61 0.09 0.00 0.00 178.44 179.69 1lxf h GLN 58 N -0.89 0.04 -0.55 1.13 5.75 -1.64 2.06 115.11 121.01 1lxf h GLN 58 Ca -0.01 -0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.42 1lxf h GLN 58 Cb 0.63 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.15 1lxf h GLN 58 CO 0.01 0.02 0.08 0.93 -2.65 0.00 0.00 178.83 177.22 1lxf h GLU 59 N 0.04 0.88 -0.15 1.69 4.39 -1.67 -1.66 114.58 118.10 1lxf h GLU 59 Ca 0.84 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 60.32 1lxf h GLU 59 Cb 3.03 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 31.56 1lxf h GLU 59 CO -0.21 0.83 0.04 0.52 -1.16 0.00 0.00 179.01 179.03 1lxf h MET 60 N 0.83 0.20 0.14 2.33 2.86 0.33 -2.11 114.93 119.51 1lxf h MET 60 Ca 0.17 -0.02 -0.29 0.00 -2.06 0.00 0.00 59.70 57.51 1lxf h MET 60 Cb 0.39 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 32.02 1lxf h MET 60 CO 0.01 0.19 -1.26 0.82 1.06 0.00 0.00 176.91 177.73 1lxf h ILE 61 N 0.20 1.42 -0.63 -1.22 5.03 -1.27 -3.23 117.51 117.82 1lxf h ILE 61 Ca 0.05 -2.86 0.18 0.00 -0.12 0.00 0.00 64.86 62.12 1lxf h ILE 61 Cb 0.08 2.89 -0.03 0.00 -3.03 0.00 0.00 36.82 36.73 1lxf h ILE 61 CO -0.00 0.84 0.67 -0.78 -0.68 0.00 0.00 178.15 178.20 1lxf h ASP 62 N 0.13 0.00 -0.15 1.72 3.58 -0.60 2.15 116.42 123.25 1lxf h ASP 62 Ca -0.16 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.16 1lxf h ASP 62 Cb 1.97 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.02 1lxf h ASP 62 CO 0.22 0.00 -0.40 -0.33 -2.88 0.00 0.00 179.24 175.85 1lxf h GLU 63 N 0.00 0.53 0.00 0.28 5.08 -1.56 -3.24 114.58 115.67 1lxf h GLU 63 Ca 0.30 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1lxf h GLU 63 Cb 1.63 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.94 1lxf h GLU 63 CO -0.00 0.99 -0.92 1.33 -1.00 0.00 0.00 179.01 179.42 1lxf n VAL 64 N -4.29 0.30 -2.03 3.13 0.24 0.12 -4.51 118.33 111.30 1lxf n VAL 64 Ca -0.07 -0.31 -0.42 0.00 -2.04 0.00 0.00 64.34 61.50 1lxf n VAL 64 Cb 0.54 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 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 -2.13 5.05 0.08 -1.34 9.92 0.69 -4.56 116.55 124.25 1lxf n ASP 65 Ca 0.02 -2.99 0.01 0.00 -0.53 0.00 0.00 54.79 51.31 1lxf n ASP 65 Cb 0.46 -1.54 -0.04 0.00 -0.64 0.00 0.00 41.12 39.36 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 5.71 0.00 0.00 -1.24 4.39 -1.79 -3.31 114.58 118.34 1lxf h GLU 66 Ca 0.51 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 60.14 1lxf h GLU 66 Cb 0.59 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 1lxf h GLU 66 CO 1.72 0.38 -1.22 -0.40 -1.16 0.00 0.00 179.01 178.34 1lxf n ASP 67 N -3.03 0.81 -0.28 1.42 5.75 -1.26 -4.98 116.55 114.98 1lxf n ASP 67 Ca -0.04 0.33 0.00 0.00 -0.01 0.00 0.00 54.79 55.06 1lxf n ASP 67 Cb 0.79 0.42 0.00 0.00 -1.03 0.00 0.00 41.12 41.30 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 1.27 0.94 0.12 6.12 0.00 -1.25 -5.00 105.19 107.38 1lxf n GLY 68 Ca -0.04 -0.34 -0.18 0.00 0.00 0.00 0.00 46.02 45.46 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 0.51 0.00 1.61 4.64 -1.94 -3.48 113.55 114.90 1lxf h SER 69 Ca 0.00 -0.57 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 1lxf h SER 69 Cb 0.52 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1lxf h SER 69 CO 0.00 1.45 0.00 0.61 -0.87 0.00 0.00 176.83 178.02 1lxf n GLY 70 N 1.60 0.89 3.66 -0.77 0.00 -1.26 -5.06 105.19 104.25 1lxf n GLY 70 Ca -0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.03 0.00 -0.63 2.61 -4.23 -1.26 -4.65 115.64 105.45 1lxf s THR 71 Ca 0.00 -1.29 -0.01 0.00 -1.18 0.00 0.00 61.69 59.21 1lxf s THR 71 Cb 0.00 -2.32 0.16 0.00 1.34 0.00 0.00 72.50 71.68 1lxf s THR 71 CO 0.00 0.00 0.43 -0.69 -0.54 0.00 0.00 174.62 173.82 1lxf s VAL 72 N -3.62 3.44 0.30 2.29 1.01 0.55 -4.67 120.40 119.69 1lxf s VAL 72 Ca 0.20 -3.21 -0.04 0.00 0.00 0.00 0.00 61.98 58.94 1lxf s VAL 72 Cb -0.02 -3.26 0.06 0.00 0.00 0.00 0.00 36.38 33.15 1lxf s VAL 72 CO 0.11 -0.88 0.12 -0.90 0.00 0.00 0.00 175.10 173.55 1lxf n ASP 73 N 3.20 -1.57 0.00 3.32 5.68 -1.26 -0.27 116.55 125.65 1lxf n ASP 73 Ca 0.09 -0.13 0.11 0.00 -0.50 0.00 0.00 54.79 54.36 1lxf n ASP 73 Cb 0.36 -0.23 0.66 0.00 -1.14 0.00 0.00 41.12 40.78 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 -3.04 0.00 0.00 2.11 7.35 0.19 -3.31 117.46 120.77 1lxf n PHE 74 Ca 0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.71 1lxf n PHE 74 Cb 0.09 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.92 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 -0.87 0.00 -0.32 -2.13 8.00 -1.26 -4.53 116.55 115.44 1lxf n ASP 75 Ca 0.17 0.00 0.35 0.00 0.71 0.00 0.00 54.79 56.02 1lxf n ASP 75 Cb 0.08 0.00 0.61 0.00 -0.02 0.00 0.00 41.12 41.79 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 -1.92 -1.38 114.58 114.15 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 -3.57 0.00 0.22 2.06 7.35 -1.21 -0.47 117.46 121.84 1lxf n PHE 77 Ca 0.27 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.80 1lxf n PHE 77 Cb 1.53 -0.47 -0.08 0.00 0.35 0.00 0.00 39.48 40.81 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 -1.20 -0.95 -2.13 3.38 -1.49 -2.65 115.31 110.27 1lxf h LEU 78 Ca 0.00 0.11 0.15 0.00 0.09 0.00 0.00 57.88 58.23 1lxf h LEU 78 Cb 0.00 0.42 -0.15 0.00 0.09 0.00 0.00 40.66 41.01 1lxf h LEU 78 CO 0.00 -0.56 -0.37 0.52 0.09 0.00 0.00 178.44 178.13 1lxf n VAL 79 N -5.50 -0.50 -0.32 1.22 0.31 -1.15 -0.61 118.33 111.79 1lxf n VAL 79 Ca -0.10 2.23 -0.08 0.00 -0.01 0.00 0.00 64.34 66.38 1lxf n VAL 79 Cb 0.41 -2.95 -0.08 0.00 -0.91 0.00 0.00 33.84 30.31 1lxf n VAL 79 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1lxf n MET 80 N -5.41 -0.33 -0.05 5.55 0.00 0.39 -1.00 117.12 116.27 1lxf n MET 80 Ca 0.10 1.30 -0.02 0.00 -0.00 0.00 0.00 57.70 59.08 1lxf n MET 80 Cb 0.39 -1.92 -0.02 0.00 0.00 0.00 0.00 33.22 31.67 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 -0.05 -1.76 2.12 2.07 -0.88 0.75 114.93 117.18 1lxf h MET 81 Ca 0.12 0.00 0.51 0.00 -2.07 0.00 0.00 59.70 58.27 1lxf h MET 81 Cb 0.31 0.01 -0.07 0.00 -1.87 0.00 0.00 31.60 29.97 1lxf h MET 81 CO -0.71 -0.03 1.27 0.28 1.07 0.00 0.00 176.91 178.79 1lxf h VAL 82 N -0.05 0.11 -0.29 -2.22 2.07 -1.09 1.15 116.25 115.93 1lxf h VAL 82 Ca 0.02 -0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1lxf h VAL 82 Cb 0.10 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 1lxf h VAL 82 CO -0.14 0.00 0.16 -0.09 0.02 0.00 0.00 177.57 177.51 1lxf h ARG 83 N 0.00 0.40 0.00 1.57 9.65 0.23 -3.06 114.38 123.18 1lxf h ARG 83 Ca 0.85 -0.05 -0.25 0.00 -1.10 0.00 0.00 59.98 59.43 1lxf h ARG 83 Cb 3.37 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 31.83 1lxf h ARG 83 CO -0.03 0.35 -1.37 0.00 2.80 0.00 0.00 179.97 181.72 1lxf n MET 85 N -3.16 -0.05 -2.45 0.00 2.81 0.17 -1.12 117.12 113.33 1lxf n MET 85 Ca -0.09 1.20 -0.42 0.00 -1.81 0.00 0.00 57.70 56.58 1lxf n MET 85 Cb 0.98 -2.24 0.01 0.00 -0.71 0.00 0.00 33.22 31.26 1lxf n MET 85 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1lxf n LYS 86 N -4.84 4.03 -0.85 0.03 4.76 -1.24 -4.93 118.16 115.14 1lxf n LYS 86 Ca 0.35 -3.80 0.04 0.00 -2.87 0.00 0.00 58.31 52.03 1lxf n LYS 86 Cb 1.26 -2.77 -0.02 0.00 -1.84 0.00 0.00 35.03 31.66 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 2.81 -4.58 -4.54 4.39 9.92 -0.27 -4.66 116.55 119.61 1lxf n ASP 87 Ca 0.40 0.96 -0.46 0.00 -0.53 0.00 0.00 54.79 55.17 1lxf n ASP 87 Cb 0.33 -2.53 -0.04 0.00 -0.64 0.00 0.00 41.12 38.24 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 -2.56 2.85 0.00 -2.24 9.92 -1.26 -4.55 116.55 118.71 1lxf n ASP 88 Ca -0.02 0.27 0.09 0.00 -0.53 0.00 0.00 54.79 54.59 1lxf n ASP 88 Cb 0.31 -1.45 0.52 0.00 -0.64 0.00 0.00 41.12 39.86 1lxf n ASP 88 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09