#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 -0.51 0.03 6.12 8.00 -1.26 -4.98 116.55 123.96 1lxf n ASP 2 Ca 0.00 -2.84 -0.11 0.00 0.71 0.00 0.00 54.79 52.55 1lxf n ASP 2 Cb 0.00 -0.08 -0.08 0.00 -0.02 0.00 0.00 41.12 40.95 1lxf n ASP 2 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1lxf h ASP 3 N 3.97 -0.15 -1.42 -2.24 5.19 -2.06 -1.44 116.42 118.27 1lxf h ASP 3 Ca 0.02 -0.41 0.41 0.00 -0.62 0.00 0.00 57.03 56.44 1lxf h ASP 3 Cb 0.92 0.04 -0.06 0.00 0.18 0.00 0.00 39.33 40.41 1lxf h ASP 3 CO 0.43 0.44 1.08 0.16 -3.12 0.00 0.00 179.24 178.23 1lxf h ILE 4 N -0.85 0.22 0.03 0.35 -2.65 -2.02 1.80 117.51 114.38 1lxf h ILE 4 Ca -0.02 0.00 -0.29 0.00 1.03 0.00 0.00 64.86 65.59 1lxf h ILE 4 Cb 0.54 0.23 -0.04 0.00 -2.05 0.00 0.00 36.82 35.51 1lxf h ILE 4 CO 0.03 0.00 -1.59 1.88 0.03 0.00 0.00 178.15 178.50 1lxf h TYR 5 N 0.00 0.11 -1.04 0.16 -1.99 -1.96 -3.33 116.97 108.92 1lxf h TYR 5 Ca 0.67 -0.08 0.27 0.00 2.00 0.00 0.00 58.73 61.60 1lxf h TYR 5 Cb 2.82 -0.00 -0.08 0.00 2.00 0.00 0.00 36.73 41.47 1lxf h TYR 5 CO 0.00 1.13 0.69 0.87 -0.00 0.00 0.00 178.16 180.86 1lxf h LYS 6 N 0.02 0.29 0.39 4.88 1.79 0.39 1.50 116.57 125.82 1lxf h LYS 6 Ca -0.25 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.19 1lxf h LYS 6 Cb 1.97 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 32.56 1lxf h LYS 6 CO 0.10 0.19 -0.19 0.00 -1.08 0.00 0.00 179.45 178.48 1lxf h ALA 7 N 1.58 -0.65 -0.89 3.86 0.00 -1.60 -0.39 119.26 121.16 1lxf h ALA 7 Ca 0.57 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.46 1lxf h ALA 7 Cb 1.63 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 19.56 1lxf h ALA 7 CO -0.22 -0.61 0.58 0.00 0.00 0.00 0.00 179.25 178.99 1lxf h ALA 8 N -1.40 1.62 0.00 0.00 0.00 -1.46 0.52 119.26 118.53 1lxf h ALA 8 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1lxf h ALA 8 Cb 0.40 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1lxf h ALA 8 CO 0.09 0.21 0.00 0.28 0.00 0.00 0.00 179.25 179.83 1lxf h VAL 9 N 0.90 0.00 0.00 0.00 2.07 0.20 -1.98 116.25 117.45 1lxf h VAL 9 Ca 0.41 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1lxf h VAL 9 Cb 0.37 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1lxf h VAL 9 CO -0.17 0.00 -0.77 -0.33 0.02 0.00 0.00 177.57 176.31 1lxf h GLU 10 N 0.00 0.00 -0.39 1.57 4.39 0.18 -3.32 114.58 117.01 1lxf h GLU 10 Ca 0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 1lxf h GLU 10 Cb 0.44 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1lxf h GLU 10 CO 0.00 0.00 -0.21 1.96 -1.16 0.00 0.00 179.01 179.60 1lxf h GLN 11 N 0.00 0.77 -6.53 2.33 1.08 -0.50 -3.44 115.11 108.81 1lxf h GLN 11 Ca 0.00 -0.30 -0.59 0.00 -1.45 0.00 0.00 58.65 56.31 1lxf h GLN 11 Cb 0.84 -0.04 0.15 0.00 -0.05 0.00 0.00 27.48 28.37 1lxf h GLN 11 CO 0.00 0.91 -0.13 1.28 -0.95 0.00 0.00 178.83 179.94 1lxf n LEU 12 N -4.12 1.50 -4.85 1.46 7.99 -1.24 -4.95 117.00 112.79 1lxf n LEU 12 Ca 0.00 0.92 -0.30 0.00 -0.01 0.00 0.00 56.01 56.62 1lxf n LEU 12 Cb 0.43 -1.24 0.06 0.00 -0.11 0.00 0.00 43.42 42.55 1lxf n LEU 12 CO 0.44 -2.27 0.73 0.42 -1.51 0.00 0.00 177.39 175.21 1lxf s THR 13 N -1.44 3.51 0.45 -5.08 -4.23 -1.26 -4.92 115.64 102.67 1lxf s THR 13 Ca 0.65 0.49 0.39 0.00 -1.18 0.00 0.00 61.69 62.04 1lxf s THR 13 Cb -0.54 -3.39 0.41 0.00 1.34 0.00 0.00 72.50 70.32 1lxf s THR 13 CO 0.56 -0.64 2.21 -0.33 -0.54 0.00 0.00 174.62 175.88 1lxf h GLU 14 N -0.76 0.00 0.00 3.99 5.08 -1.96 -2.63 114.58 118.29 1lxf h GLU 14 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1lxf h GLU 14 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1lxf h GLU 14 CO 0.62 0.01 0.00 0.39 -1.00 0.00 0.00 179.01 179.03 1lxf n GLU 15 N -3.17 0.00 -0.33 2.33 1.02 -1.26 -3.52 120.64 115.71 1lxf n GLU 15 Ca -0.02 0.17 0.13 0.00 -0.02 0.00 0.00 57.16 57.42 1lxf n GLU 15 Cb 0.17 -0.78 0.26 0.00 -0.02 0.00 0.00 31.44 31.07 1lxf n GLU 15 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1lxf n GLN 16 N -1.00 -0.08 -0.36 3.49 10.64 -1.24 0.20 117.38 129.04 1lxf n GLN 16 Ca 0.00 1.43 0.27 0.00 -1.83 0.00 0.00 57.00 56.86 1lxf n GLN 16 Cb 0.00 -2.25 0.52 0.00 -0.86 0.00 0.00 30.24 27.65 1lxf n GLN 16 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 1lxf h LYS 17 N 0.00 0.26 0.00 2.61 1.63 -1.61 0.16 116.57 119.62 1lxf h LYS 17 Ca 0.56 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.34 1lxf h LYS 17 Cb 1.13 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.70 1lxf h LYS 17 CO -0.90 0.18 0.00 0.09 -3.45 0.00 0.00 179.45 175.36 1lxf n ASN 18 N -4.91 0.00 -0.47 4.20 3.02 0.52 -3.35 115.26 114.27 1lxf n ASN 18 Ca 0.32 0.48 0.39 0.00 -0.03 0.00 0.00 54.58 55.73 1lxf n ASN 18 Cb 1.08 -0.31 0.64 0.00 -0.61 0.00 0.00 39.78 40.58 1lxf n ASN 18 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1lxf n GLU 19 N -1.42 -0.03 0.07 3.52 0.28 -1.05 0.11 120.64 122.12 1lxf n GLU 19 Ca 0.00 1.09 -0.11 0.00 -0.16 0.00 0.00 57.16 57.98 1lxf n GLU 19 Cb 0.00 -2.22 -0.05 0.00 1.43 0.00 0.00 31.44 30.60 1lxf n GLU 19 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 177.13 177.71 1lxf h PHE 20 N 0.00 -0.51 -0.90 -1.84 0.04 -0.76 -1.72 116.94 111.25 1lxf h PHE 20 Ca 0.80 0.01 0.17 0.00 2.80 0.00 0.00 57.97 61.75 1lxf h PHE 20 Cb 2.73 0.22 -0.07 0.00 2.20 0.00 0.00 35.95 41.03 1lxf h PHE 20 CO -0.00 -0.28 0.58 0.87 -0.60 0.00 0.00 178.31 178.88 1lxf h LYS 21 N -0.33 0.59 -0.31 1.51 1.57 0.79 -0.84 116.57 119.56 1lxf h LYS 21 Ca 0.05 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.84 1lxf h LYS 21 Cb 0.39 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.52 1lxf h LYS 21 CO -0.16 0.39 0.02 0.00 -0.57 0.00 0.00 179.45 179.13 1lxf h ALA 22 N 1.61 0.29 0.00 3.86 0.00 -1.21 -0.05 119.26 123.76 1lxf h ALA 22 Ca 0.47 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.44 1lxf h ALA 22 Cb 0.87 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1lxf h ALA 22 CO -0.21 -0.39 -0.06 0.00 0.00 0.00 0.00 179.25 178.59 1lxf h ALA 23 N 1.25 1.73 0.00 0.00 0.00 -0.97 -0.70 119.26 120.57 1lxf h ALA 23 Ca 0.15 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1lxf h ALA 23 Cb 0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1lxf h ALA 23 CO -0.23 0.07 -0.18 0.74 0.00 0.00 0.00 179.25 179.65 1lxf h PHE 24 N 0.00 0.00 -0.08 0.00 0.04 -0.62 -0.33 116.94 115.95 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 0.11 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.26 1lxf h PHE 24 CO 0.00 0.18 0.00 -0.25 -0.60 0.00 0.00 178.31 177.64 1lxf n ASP 25 N -4.31 0.65 -0.04 2.17 8.00 -0.27 -3.58 116.55 119.17 1lxf n ASP 25 Ca -0.02 -1.62 -0.07 0.00 0.71 0.00 0.00 54.79 53.78 1lxf n ASP 25 Cb 0.24 -0.05 -0.02 0.00 -0.02 0.00 0.00 41.12 41.27 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 -0.32 1.30 -0.34 0.53 2.08 -0.18 -3.55 119.36 118.88 1lxf n ILE 26 Ca 0.13 0.17 0.22 0.00 0.56 0.00 0.00 62.75 63.83 1lxf n ILE 26 Cb 0.15 -1.98 0.46 0.00 -0.75 0.00 0.00 39.64 37.53 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 -0.58 0.85 -0.70 1.39 0.04 -1.58 0.24 116.94 116.62 1lxf h PHE 27 Ca -0.07 0.03 -0.50 0.00 2.80 0.00 0.00 57.97 60.23 1lxf h PHE 27 Cb 0.71 -0.24 -0.36 0.00 2.20 0.00 0.00 35.95 38.26 1lxf h PHE 27 CO -0.21 -0.01 -0.55 1.33 -0.60 0.00 0.00 178.31 178.26 1lxf n VAL 28 N -4.83 2.64 0.24 -0.55 0.24 -1.23 -4.44 118.33 110.39 1lxf n VAL 28 Ca 0.28 -3.91 0.04 0.00 -2.04 0.00 0.00 64.34 58.71 1lxf n VAL 28 Cb 0.89 -1.03 0.17 0.00 -1.47 0.00 0.00 33.84 32.41 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 -0.79 0.04 -0.00 1.34 -0.00 0.85 -2.98 117.00 115.46 1lxf n LEU 29 Ca 0.44 0.51 -0.00 0.00 -0.00 0.00 0.00 56.01 56.96 1lxf n LEU 29 Cb 0.91 -0.51 -0.00 0.00 -0.00 0.00 0.00 43.42 43.82 1lxf n LEU 29 CO 0.40 -0.41 -0.51 0.61 -0.00 0.00 0.00 177.39 177.49 1lxf n GLY 30 N -0.79 -0.00 3.14 1.47 0.00 -1.26 -5.02 105.19 102.72 1lxf n GLY 30 Ca 0.02 -0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.43 -2.86 -1.28 4.61 0.00 -1.16 -5.03 120.51 112.36 1lxf n ALA 31 Ca -0.00 -1.44 0.00 0.00 0.00 0.00 0.00 53.44 51.99 1lxf n ALA 31 Cb 0.50 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 -3.69 0.00 0.00 0.00 2.13 -1.26 -4.90 120.64 112.91 1lxf n GLU 32 Ca 0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.91 1lxf n GLU 32 Cb 0.48 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.19 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 -1.08 0.00 0.00 4.31 5.68 -1.26 -4.89 116.55 119.31 1lxf n ASP 33 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1lxf n ASP 33 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 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 0.00 3.62 6.12 0.00 -1.26 -5.05 105.19 108.62 1lxf n GLY 34 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.12 4.86 0.00 0.00 1.01 0.22 -4.55 121.20 122.61 1lxf s ILE 36 Ca 0.05 0.38 0.00 0.00 0.00 0.00 0.00 60.65 61.08 1lxf s ILE 36 Cb -0.12 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.48 1lxf s ILE 36 CO 0.02 -0.93 0.00 -1.54 0.00 0.00 0.00 174.94 172.49 1lxf n SER 37 N -2.38 0.13 0.08 3.58 3.41 -1.26 0.14 113.62 117.32 1lxf n SER 37 Ca 0.02 -0.90 -0.19 0.00 -0.26 0.00 0.00 58.87 57.54 1lxf n SER 37 Cb 0.55 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.35 1lxf n SER 37 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1lxf h THR 38 N 0.90 1.15 0.00 6.66 1.35 -1.88 -1.95 112.91 119.13 1lxf h THR 38 Ca 0.00 -2.74 -0.03 0.00 -0.55 0.00 0.00 66.41 63.08 1lxf h THR 38 Cb 0.00 2.81 -0.01 0.00 -1.73 0.00 0.00 68.15 69.23 1lxf h THR 38 CO 0.00 0.83 -0.72 0.11 -0.25 0.00 0.00 175.52 175.49 1lxf h LYS 39 N 0.09 0.00 0.18 4.72 1.57 -1.95 -3.16 116.57 118.02 1lxf h LYS 39 Ca -0.26 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.17 1lxf h LYS 39 Cb 2.05 0.00 0.01 0.00 0.08 0.00 0.00 32.23 34.37 1lxf h LYS 39 CO 0.18 0.09 -1.77 1.49 -0.57 0.00 0.00 179.45 178.87 1lxf h GLU 40 N 0.00 0.38 0.02 3.15 4.57 -1.87 -3.37 114.58 117.46 1lxf h GLU 40 Ca -0.02 -0.65 -0.00 0.00 -1.18 0.00 0.00 59.36 57.51 1lxf h GLU 40 Cb 1.12 0.24 0.00 0.00 -0.16 0.00 0.00 28.75 29.95 1lxf h GLU 40 CO 0.01 1.31 -0.01 1.25 -1.18 0.00 0.00 179.01 180.40 1lxf h LEU 41 N 0.09 -0.02 -1.38 1.64 5.85 -1.48 -2.47 115.31 117.54 1lxf h LEU 41 Ca -0.35 -0.19 0.24 0.00 0.84 0.00 0.00 57.88 58.42 1lxf h LEU 41 Cb 2.08 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 43.08 1lxf h LEU 41 CO 0.16 0.18 0.97 1.23 -0.34 0.00 0.00 178.44 180.64 1lxf h GLY 42 N -0.21 0.00 1.63 3.75 0.00 -1.72 1.32 103.07 107.85 1lxf h GLY 42 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 1lxf h GLY 42 CO 0.00 0.00 -0.29 1.70 0.00 0.00 0.00 176.54 177.95 1lxf h LYS 43 N 0.00 0.42 0.00 4.80 3.64 -1.60 -2.34 116.57 121.50 1lxf h LYS 43 Ca 0.40 -0.17 -0.04 0.00 -1.27 0.00 0.00 60.65 59.57 1lxf h LYS 43 Cb 2.33 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 34.12 1lxf h LYS 43 CO -0.00 0.67 -0.34 0.28 -2.27 0.00 0.00 179.45 177.79 1lxf h VAL 44 N 0.37 0.71 -0.44 2.00 2.07 0.16 -3.13 116.25 117.99 1lxf h VAL 44 Ca 0.05 -1.62 0.13 0.00 0.82 0.00 0.00 66.70 66.07 1lxf h VAL 44 Cb 0.70 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 1lxf h VAL 44 CO 0.05 0.24 0.53 0.24 0.02 0.00 0.00 177.57 178.65 1lxf h MET 45 N -1.00 0.00 0.00 1.57 2.86 -1.52 1.32 114.93 118.17 1lxf h MET 45 Ca -0.07 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1lxf h MET 45 Cb 0.65 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.31 1lxf h MET 45 CO -0.04 0.00 -0.56 0.07 1.06 0.00 0.00 176.91 177.44 1lxf h ARG 46 N 0.00 0.00 0.00 1.72 -0.00 -1.37 -1.98 114.38 112.75 1lxf h ARG 46 Ca 0.21 0.00 -0.17 0.00 -0.00 0.00 0.00 59.98 60.02 1lxf h ARG 46 Cb 1.27 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.22 1lxf h ARG 46 CO -0.00 0.00 -0.79 0.52 -0.00 0.00 0.00 179.97 179.70 1lxf h MET 47 N 0.00 0.00 0.00 0.08 2.86 0.18 -3.38 114.93 114.67 1lxf h MET 47 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1lxf h MET 47 Cb 1.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.66 1lxf h MET 47 CO 0.00 0.79 0.00 1.28 1.06 0.00 0.00 176.91 180.04 1lxf n LEU 48 N -3.52 0.90 0.00 1.22 4.77 -0.91 -4.97 117.00 114.50 1lxf n LEU 48 Ca -0.00 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1lxf n LEU 48 Cb 0.78 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1lxf n LEU 48 CO 0.44 -0.31 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 1lxf n GLY 49 N 1.56 0.00 3.07 -0.72 0.00 -1.23 -5.14 105.19 102.72 1lxf n GLY 49 Ca 0.00 0.00 -0.16 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 0.62 -0.61 1.61 -0.21 -0.75 -5.06 119.66 115.27 1lxf s GLN 50 Ca 0.00 -0.66 0.04 0.00 0.02 0.00 0.00 55.36 54.76 1lxf s GLN 50 Cb 0.00 -0.51 0.15 0.00 1.00 0.00 0.00 33.01 33.66 1lxf s GLN 50 CO 0.00 0.11 0.39 1.21 -2.12 0.00 0.00 175.29 174.89 1lxf s ASN 51 N -1.20 4.35 0.69 5.90 3.04 -1.26 -3.18 114.94 123.27 1lxf s ASN 51 Ca -0.04 -3.45 0.00 0.00 0.04 0.00 0.00 52.86 49.41 1lxf s ASN 51 Cb -0.08 -1.51 0.00 0.00 -1.54 0.00 0.00 41.25 38.13 1lxf s ASN 51 CO 0.01 -0.15 0.00 -0.81 -3.04 0.00 0.00 177.10 173.11 1lxf n PRO 52 N 2.51 0.26 -4.28 0.43 -0.04 -1.26 -5.12 135.00 127.50 1lxf n PRO 52 Ca 0.15 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.43 1lxf n PRO 52 Cb 0.35 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.72 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 -0.69 0.06 -0.27 0.52 -4.23 -1.26 -5.04 115.64 104.73 1lxf s THR 53 Ca 0.00 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.69 1lxf s THR 53 Cb 0.00 -2.49 0.17 0.00 1.34 0.00 0.00 72.50 71.52 1lxf s THR 53 CO 0.00 0.00 1.49 1.55 -0.54 0.00 0.00 174.62 177.12 1lxf h PRO 54 N 2.24 0.00 0.00 3.99 0.13 -1.99 -0.87 132.00 135.50 1lxf h PRO 54 Ca -0.29 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.69 1lxf h PRO 54 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 1lxf h PRO 54 CO 0.43 0.29 -0.84 0.93 -0.23 0.00 0.00 178.00 178.57 1lxf h GLU 55 N 0.00 0.00 0.05 0.86 5.08 -1.97 -3.06 114.58 115.55 1lxf h GLU 55 Ca -0.01 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.09 1lxf h GLU 55 Cb 1.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 1lxf h GLU 55 CO 0.04 0.62 -1.42 0.93 -1.00 0.00 0.00 179.01 178.18 1lxf h GLU 56 N 0.00 0.11 -0.90 2.33 4.39 -1.97 -3.36 114.58 115.18 1lxf h GLU 56 Ca -0.04 -0.18 0.15 0.00 0.34 0.00 0.00 59.36 59.63 1lxf h GLU 56 Cb 1.56 0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 30.21 1lxf h GLU 56 CO 0.08 1.09 0.58 -0.07 -1.16 0.00 0.00 179.01 179.53 1lxf h LEU 57 N -0.62 0.64 -0.80 1.33 3.38 -1.29 0.56 115.31 118.50 1lxf h LEU 57 Ca -0.35 0.04 0.14 0.00 0.09 0.00 0.00 57.88 57.80 1lxf h LEU 57 Cb 1.55 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 42.13 1lxf h LEU 57 CO -0.09 0.31 0.38 -0.61 0.09 0.00 0.00 178.44 178.52 1lxf h GLN 58 N 0.66 0.54 0.00 1.13 5.75 -1.68 0.64 115.11 122.16 1lxf h GLN 58 Ca 0.46 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.91 1lxf h GLN 58 Cb 0.78 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 29.21 1lxf h GLN 58 CO -0.21 0.36 -0.06 0.93 -2.65 0.00 0.00 178.83 177.19 1lxf h GLU 59 N 0.56 0.00 -0.36 1.69 5.08 -1.04 0.21 114.58 120.71 1lxf h GLU 59 Ca 0.43 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.65 1lxf h GLU 59 Cb 0.61 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1lxf h GLU 59 CO -0.36 0.06 -0.32 0.52 -1.00 0.00 0.00 179.01 177.91 1lxf h MET 60 N 0.00 0.86 0.02 2.33 2.86 0.41 -3.10 114.93 118.30 1lxf h MET 60 Ca -0.00 -0.44 -0.21 0.00 -2.06 0.00 0.00 59.70 56.99 1lxf h MET 60 Cb 0.23 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 1lxf h MET 60 CO 0.01 1.08 -0.96 0.82 1.06 0.00 0.00 176.91 178.92 1lxf h ILE 61 N 0.65 1.62 -0.03 -1.22 5.03 -0.90 -3.17 117.51 119.48 1lxf h ILE 61 Ca 0.06 -3.08 0.01 0.00 -0.12 0.00 0.00 64.86 61.73 1lxf h ILE 61 Cb 0.91 2.71 -0.00 0.00 -3.03 0.00 0.00 36.82 37.40 1lxf h ILE 61 CO 0.08 0.88 0.21 -0.78 -0.68 0.00 0.00 178.15 177.86 1lxf h ASP 62 N 0.03 0.00 0.36 1.72 3.58 -0.91 2.31 116.42 123.51 1lxf h ASP 62 Ca -0.03 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.10 1lxf h ASP 62 Cb 1.67 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.73 1lxf h ASP 62 CO 0.13 0.00 -1.52 -0.33 -2.88 0.00 0.00 179.24 174.64 1lxf h GLU 63 N 0.00 0.38 0.00 0.28 4.39 -1.56 -3.33 114.58 114.74 1lxf h GLU 63 Ca 0.01 -0.65 0.00 0.00 0.34 0.00 0.00 59.36 59.06 1lxf h GLU 63 Cb 0.43 0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1lxf h GLU 63 CO -0.00 1.29 -1.04 1.33 -1.16 0.00 0.00 179.01 179.43 1lxf n VAL 64 N -3.58 0.11 -0.85 3.13 0.24 0.16 -4.56 118.33 112.97 1lxf n VAL 64 Ca -0.17 -0.19 -0.24 0.00 -2.04 0.00 0.00 64.34 61.70 1lxf n VAL 64 Cb 1.07 0.36 -0.03 0.00 -1.47 0.00 0.00 33.84 33.76 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 -1.84 5.59 -0.06 -1.34 9.92 0.76 -4.36 116.55 125.22 1lxf n ASP 65 Ca 0.02 -2.35 0.14 0.00 -0.53 0.00 0.00 54.79 52.07 1lxf n ASP 65 Cb 0.41 -1.18 0.59 0.00 -0.64 0.00 0.00 41.12 40.31 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 3.86 0.41 -0.01 -1.24 1.02 -1.26 -3.29 120.64 120.13 1lxf n GLU 66 Ca 0.50 -0.11 0.01 0.00 -0.02 0.00 0.00 57.16 57.53 1lxf n GLU 66 Cb 0.22 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.15 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 -1.19 1.71 -3.56 1.62 5.68 -1.26 -5.01 116.55 114.54 1lxf n ASP 67 Ca 0.12 -1.61 -0.20 0.00 -0.50 0.00 0.00 54.79 52.60 1lxf n ASP 67 Cb 0.29 -0.02 0.06 0.00 -1.14 0.00 0.00 41.12 40.31 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 -0.18 -0.48 0.01 6.12 0.00 -1.21 -4.91 105.19 104.55 1lxf n GLY 68 Ca 0.01 0.21 0.10 0.00 0.00 0.00 0.00 46.02 46.33 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 -3.07 0.60 -0.16 1.61 3.41 -1.26 -4.97 113.62 109.77 1lxf n SER 69 Ca -0.25 -0.18 -0.02 0.00 -0.26 0.00 0.00 58.87 58.16 1lxf n SER 69 Cb 0.66 1.73 -0.01 0.00 -0.26 0.00 0.00 64.21 66.33 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 1.40 0.51 1.26 5.00 0.00 -1.26 -4.96 105.19 107.14 1lxf n GLY 70 Ca -0.02 -0.23 -0.07 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.71 0.00 -3.53 2.61 -2.24 -1.26 -4.65 114.28 102.51 1lxf n THR 71 Ca -0.02 -0.82 -0.29 0.00 -2.27 0.00 0.00 64.05 60.65 1lxf n THR 71 Cb 0.18 0.45 -0.13 0.00 -2.10 0.00 0.00 70.33 68.73 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 -2.55 0.28 0.09 2.28 1.01 0.37 -4.62 120.40 117.27 1lxf s VAL 72 Ca 0.13 -1.55 -0.01 0.00 0.00 0.00 0.00 61.98 60.55 1lxf s VAL 72 Cb 0.00 -1.22 0.02 0.00 0.00 0.00 0.00 36.38 35.18 1lxf s VAL 72 CO 0.10 -0.89 0.05 -0.90 0.00 0.00 0.00 175.10 173.45 1lxf n ASP 73 N 4.34 -1.61 -0.01 3.32 5.75 -1.26 0.70 116.55 127.78 1lxf n ASP 73 Ca 0.06 -0.05 0.16 0.00 -0.01 0.00 0.00 54.79 54.95 1lxf n ASP 73 Cb 0.38 -0.07 0.94 0.00 -1.03 0.00 0.00 41.12 41.34 1lxf n ASP 73 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1lxf n PHE 74 N -2.90 0.00 0.00 2.11 7.35 -1.06 -3.50 117.46 119.46 1lxf n PHE 74 Ca 0.01 -0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.70 1lxf n PHE 74 Cb 0.03 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.86 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 -0.97 0.00 -0.53 -2.13 9.92 -1.26 -4.37 116.55 117.22 1lxf n ASP 75 Ca 0.24 0.00 0.43 0.00 -0.53 0.00 0.00 54.79 54.93 1lxf n ASP 75 Cb 0.11 -0.03 0.74 0.00 -0.64 0.00 0.00 41.12 41.30 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 0.04 0.12 -1.24 4.11 -1.92 -0.77 114.58 114.91 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 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1lxf h GLU 76 CO 0.00 0.03 -0.20 0.35 0.07 0.00 0.00 179.01 179.26 1lxf h PHE 77 N 0.04 -0.57 -0.80 2.06 3.04 -1.80 0.11 116.94 119.02 1lxf h PHE 77 Ca 0.81 0.01 0.16 0.00 3.98 0.00 0.00 57.97 62.93 1lxf h PHE 77 Cb 2.98 0.24 -0.06 0.00 2.56 0.00 0.00 35.95 41.67 1lxf h PHE 77 CO -0.00 -0.25 0.53 -0.07 -2.02 0.00 0.00 178.31 176.51 1lxf h LEU 78 N -0.34 0.41 0.22 0.59 3.38 -1.35 -2.28 115.31 115.94 1lxf h LEU 78 Ca -0.01 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1lxf h LEU 78 Cb 0.32 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1lxf h LEU 78 CO -0.07 0.20 -0.15 0.58 0.09 0.00 0.00 178.44 179.09 1lxf h VAL 79 N 0.43 0.00 -1.17 1.22 2.07 -0.90 1.17 116.25 119.08 1lxf h VAL 79 Ca 0.40 0.00 0.34 0.00 0.82 0.00 0.00 66.70 68.26 1lxf h VAL 79 Cb 0.92 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.59 1lxf h VAL 79 CO -0.14 0.00 0.76 -0.03 0.02 0.00 0.00 177.57 178.18 1lxf h MET 80 N -0.35 0.23 0.15 1.57 1.85 -0.66 1.83 114.93 119.55 1lxf h MET 80 Ca -0.03 -0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.04 1lxf h MET 80 Cb 0.28 -0.05 0.00 0.00 0.43 0.00 0.00 31.60 32.26 1lxf h MET 80 CO 0.02 0.15 -0.07 0.52 -0.40 0.00 0.00 176.91 177.13 1lxf h MET 81 N 0.24 -0.20 0.00 0.39 2.07 -0.88 -3.05 114.93 113.51 1lxf h MET 81 Ca 0.68 0.01 -0.02 0.00 -2.07 0.00 0.00 59.70 58.30 1lxf h MET 81 Cb 1.99 0.04 -0.00 0.00 -1.87 0.00 0.00 31.60 31.76 1lxf h MET 81 CO -0.31 0.24 -0.11 -0.24 1.07 0.00 0.00 176.91 177.56 1lxf h VAL 82 N -0.84 0.57 -0.01 -2.22 3.04 0.36 -1.95 116.25 115.19 1lxf h VAL 82 Ca -0.02 -0.51 -0.06 0.00 -1.01 0.00 0.00 66.70 65.09 1lxf h VAL 82 Cb 0.53 1.33 -0.01 0.00 -2.01 0.00 0.00 31.29 31.14 1lxf h VAL 82 CO 0.03 0.11 -0.29 -0.09 -1.01 0.00 0.00 177.57 176.33 1lxf h ARG 83 N 0.00 0.02 0.00 4.17 2.43 0.27 -2.56 114.38 118.71 1lxf h ARG 83 Ca -0.00 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 1lxf h ARG 83 Cb 0.32 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1lxf h ARG 83 CO 0.01 0.31 -0.74 0.00 -1.51 0.00 0.00 179.97 178.04 1lxf h MET 85 N 0.00 0.19 0.00 0.00 2.86 -1.29 -3.06 114.93 113.63 1lxf h MET 85 Ca -0.03 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1lxf h MET 85 Cb 1.16 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.77 1lxf h MET 85 CO 0.02 0.13 -0.28 0.87 1.06 0.00 0.00 176.91 178.70 1lxf h LYS 86 N 0.20 0.00 -6.27 1.72 1.57 -1.68 -3.48 116.57 108.63 1lxf h LYS 86 Ca 0.43 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.53 1lxf h LYS 86 Cb 1.39 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.39 1lxf h LYS 86 CO -0.09 0.00 -0.88 -0.51 -0.57 0.00 0.00 179.45 177.39 1lxf s ASP 87 N -4.82 2.96 0.29 0.86 1.01 -1.15 -5.11 116.67 110.70 1lxf s ASP 87 Ca -0.08 -0.47 -0.29 0.00 0.71 0.00 0.00 52.55 52.41 1lxf s ASP 87 Cb 0.01 -0.54 -0.10 0.00 1.01 0.00 0.00 42.92 43.31 1lxf s ASP 87 CO 0.12 0.28 1.11 1.51 0.21 0.00 0.00 175.17 178.40 1lxf s ASP 88 N -0.40 7.21 0.00 0.27 -4.77 -1.25 -4.06 116.67 113.67 1lxf s ASP 88 Ca 0.04 2.29 0.00 0.00 -3.30 0.00 0.00 52.55 51.58 1lxf s ASP 88 Cb -0.11 -2.63 0.00 0.00 -1.09 0.00 0.00 42.92 39.09 1lxf s ASP 88 CO 0.01 -0.18 0.00 -0.24 0.70 0.00 0.00 175.17 175.46