#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 2.98 0.00 7.83 8.00 -1.26 -4.64 116.55 129.46 1lxf n ASP 2 Ca 0.00 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.47 1lxf n ASP 2 Cb 0.00 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 1lxf n ASP 2 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1lxf n ASP 3 N -2.86 0.00 -0.56 -2.24 2.03 -1.26 0.28 116.55 111.94 1lxf n ASP 3 Ca -0.17 0.99 0.44 0.00 0.52 0.00 0.00 54.79 56.56 1lxf n ASP 3 Cb 0.68 -0.49 0.69 0.00 -0.72 0.00 0.00 41.12 41.28 1lxf n ASP 3 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1lxf n ILE 4 N -2.61 -0.09 0.02 5.18 -5.35 -1.26 0.25 119.36 115.50 1lxf n ILE 4 Ca 0.00 1.45 -0.22 0.00 -0.27 0.00 0.00 62.75 63.72 1lxf n ILE 4 Cb 0.00 -2.40 -0.14 0.00 -1.74 0.00 0.00 39.64 35.36 1lxf n ILE 4 CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 1lxf h TYR 5 N 0.00 0.48 0.15 4.28 -1.99 -0.83 -3.15 116.97 115.91 1lxf h TYR 5 Ca 0.83 -0.35 0.00 0.00 2.00 0.00 0.00 58.73 61.21 1lxf h TYR 5 Cb 3.09 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 41.78 1lxf h TYR 5 CO -0.00 1.55 -0.28 0.87 -0.00 0.00 0.00 178.16 180.30 1lxf h LYS 6 N -0.26 -0.44 -0.40 4.88 1.79 1.90 0.97 116.57 125.01 1lxf h LYS 6 Ca -0.30 0.03 0.08 0.00 -2.18 0.00 0.00 60.65 58.28 1lxf h LYS 6 Cb 1.80 0.10 -0.09 0.00 -1.58 0.00 0.00 32.23 32.46 1lxf h LYS 6 CO 0.08 -0.30 -0.32 0.00 -1.08 0.00 0.00 179.45 177.83 1lxf h ALA 7 N -1.14 -0.17 -0.39 3.86 0.00 -1.12 2.05 119.26 122.35 1lxf h ALA 7 Ca -0.02 0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.11 1lxf h ALA 7 Cb 0.43 0.69 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1lxf h ALA 7 CO -0.10 -0.72 0.31 0.00 0.00 0.00 0.00 179.25 178.74 1lxf h ALA 8 N 0.78 2.27 0.00 0.00 0.00 -1.43 1.54 119.26 122.41 1lxf h ALA 8 Ca 0.17 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1lxf h ALA 8 Cb 0.53 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1lxf h ALA 8 CO -0.53 -0.52 -0.77 0.28 0.00 0.00 0.00 179.25 177.71 1lxf h VAL 9 N 0.00 0.13 0.09 0.00 2.07 0.86 -3.31 116.25 116.10 1lxf h VAL 9 Ca 0.19 -1.23 -0.26 0.00 0.82 0.00 0.00 66.70 66.22 1lxf h VAL 9 Cb 0.81 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 1lxf h VAL 9 CO -0.00 0.08 -1.34 -0.33 0.02 0.00 0.00 177.57 175.99 1lxf h GLU 10 N 0.00 0.20 -0.86 1.57 5.08 0.88 -3.35 114.58 118.10 1lxf h GLU 10 Ca -0.02 -0.34 0.20 0.00 -1.00 0.00 0.00 59.36 58.20 1lxf h GLU 10 Cb 1.11 0.13 -0.12 0.00 0.50 0.00 0.00 28.75 30.37 1lxf h GLU 10 CO 0.01 1.16 0.36 1.96 -1.00 0.00 0.00 179.01 181.51 1lxf h GLN 11 N -0.42 0.40 -6.37 2.33 4.20 0.17 -3.42 115.11 112.00 1lxf h GLN 11 Ca -0.30 -0.02 -0.57 0.00 0.06 0.00 0.00 58.65 57.81 1lxf h GLN 11 Cb 1.67 -0.09 0.19 0.00 0.30 0.00 0.00 27.48 29.55 1lxf h GLN 11 CO 0.02 0.27 -0.80 1.28 -0.67 0.00 0.00 178.83 178.93 1lxf n LEU 12 N -5.03 -1.32 -4.87 1.46 4.77 -1.24 -4.98 117.00 105.79 1lxf n LEU 12 Ca 0.20 0.57 -0.22 0.00 -0.03 0.00 0.00 56.01 56.53 1lxf n LEU 12 Cb 0.58 -1.05 -0.04 0.00 -2.33 0.00 0.00 43.42 40.59 1lxf n LEU 12 CO 0.14 -3.95 -0.13 0.42 -1.33 0.00 0.00 177.39 172.53 1lxf s THR 13 N -1.93 4.73 0.57 -5.08 -4.23 -1.26 -4.91 115.64 103.53 1lxf s THR 13 Ca 0.60 -1.21 0.39 0.00 -1.18 0.00 0.00 61.69 60.29 1lxf s THR 13 Cb -0.38 -3.54 0.58 0.00 1.34 0.00 0.00 72.50 70.50 1lxf s THR 13 CO 0.63 -0.31 1.61 1.05 -0.54 0.00 0.00 174.62 177.07 1lxf h GLU 14 N 1.52 0.00 -0.61 3.99 4.11 -1.95 0.77 114.58 122.41 1lxf h GLU 14 Ca -0.49 0.00 0.10 0.00 0.07 0.00 0.00 59.36 59.04 1lxf h GLU 14 Cb 1.23 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.40 1lxf h GLU 14 CO 0.61 0.00 0.21 0.93 0.07 0.00 0.00 179.01 180.83 1lxf h GLU 15 N 0.00 0.36 0.15 1.06 5.08 -1.99 0.57 114.58 119.81 1lxf h GLU 15 Ca 0.66 -0.02 -0.28 0.00 -1.00 0.00 0.00 59.36 58.72 1lxf h GLU 15 Cb 2.90 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 32.08 1lxf h GLU 15 CO -0.01 0.24 -1.38 1.96 -1.00 0.00 0.00 179.01 178.83 1lxf h GLN 16 N 0.37 0.31 -0.24 2.33 4.20 0.13 -2.88 115.11 119.34 1lxf h GLN 16 Ca 0.31 -0.54 0.07 0.00 0.06 0.00 0.00 58.65 58.56 1lxf h GLN 16 Cb 0.41 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 1lxf h GLN 16 CO -0.33 1.26 0.27 0.87 -0.67 0.00 0.00 178.83 180.23 1lxf h LYS 17 N -0.19 0.00 0.00 1.46 1.79 -0.93 0.19 116.57 118.89 1lxf h LYS 17 Ca -0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 1lxf h LYS 17 Cb 1.85 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.50 1lxf h LYS 17 CO 0.12 0.00 0.00 0.09 -1.08 0.00 0.00 179.45 178.58 1lxf n ASN 18 N -3.76 0.00 -0.33 0.86 3.02 0.20 -3.51 115.26 111.73 1lxf n ASN 18 Ca 0.03 0.32 0.25 0.00 -0.03 0.00 0.00 54.58 55.15 1lxf n ASN 18 Cb 0.41 -0.38 0.48 0.00 -0.61 0.00 0.00 39.78 39.68 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 0.07 -0.27 3.52 4.11 -1.42 0.63 114.58 121.23 1lxf h GLU 19 Ca 0.00 -0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.49 1lxf h GLU 19 Cb 0.00 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.16 1lxf h GLU 19 CO 0.00 0.05 -0.22 0.74 0.07 0.00 0.00 179.01 179.65 1lxf h PHE 20 N 0.08 -0.56 -0.03 2.06 0.04 -0.78 0.43 116.94 118.17 1lxf h PHE 20 Ca 0.75 0.04 -0.00 0.00 2.80 0.00 0.00 57.97 61.56 1lxf h PHE 20 Cb 1.84 0.29 -0.00 0.00 2.20 0.00 0.00 35.95 40.28 1lxf h PHE 20 CO -0.13 -0.29 0.01 0.87 -0.60 0.00 0.00 178.31 178.16 1lxf h LYS 21 N -0.21 0.04 -0.03 1.51 1.79 0.16 -0.17 116.57 119.65 1lxf h LYS 21 Ca 0.15 -0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.62 1lxf h LYS 21 Cb 0.43 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1lxf h LYS 21 CO -0.39 0.20 0.21 0.00 -1.08 0.00 0.00 179.45 178.39 1lxf h ALA 22 N 0.84 1.31 0.00 3.86 0.00 -0.47 0.72 119.26 125.52 1lxf h ALA 22 Ca 0.01 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1lxf h ALA 22 Cb 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1lxf h ALA 22 CO -0.00 -0.23 -1.22 0.00 0.00 0.00 0.00 179.25 177.80 1lxf n ALA 23 N -2.01 2.39 0.20 0.00 0.00 0.14 -3.80 120.51 117.42 1lxf n ALA 23 Ca -0.02 -0.35 0.06 0.00 0.00 0.00 0.00 53.44 53.13 1lxf n ALA 23 Cb 0.28 -1.02 0.39 0.00 0.00 0.00 0.00 19.45 19.10 1lxf n ALA 23 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1lxf h PHE 24 N 0.00 0.00 -0.00 0.00 0.04 0.22 -1.52 116.94 115.67 1lxf h PHE 24 Ca -0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.72 1lxf h PHE 24 Cb 1.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.31 1lxf h PHE 24 CO 0.00 0.35 0.00 -0.25 -0.60 0.00 0.00 178.31 177.81 1lxf n ASP 25 N -3.66 0.07 -0.07 2.17 9.92 -0.99 -2.69 116.55 121.30 1lxf n ASP 25 Ca -0.01 -1.09 -0.13 0.00 -0.53 0.00 0.00 54.79 53.03 1lxf n ASP 25 Cb 0.46 -0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.88 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 -0.91 0.82 -0.14 0.53 2.08 -0.66 -3.26 119.36 117.82 1lxf n ILE 26 Ca 0.22 -0.25 -0.07 0.00 0.56 0.00 0.00 62.75 63.21 1lxf n ILE 26 Cb 0.11 -1.40 0.02 0.00 -0.75 0.00 0.00 39.64 37.62 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 -0.31 0.47 -0.68 1.39 0.04 -1.40 -2.45 116.94 114.00 1lxf h PHE 27 Ca -0.35 0.02 -0.46 0.00 2.80 0.00 0.00 57.97 59.97 1lxf h PHE 27 Cb 1.40 -0.15 -0.28 0.00 2.20 0.00 0.00 35.95 39.12 1lxf h PHE 27 CO -0.02 0.27 -0.10 1.33 -0.60 0.00 0.00 178.31 179.18 1lxf n VAL 28 N -4.85 2.84 0.15 -0.55 0.24 -1.10 -4.61 118.33 110.45 1lxf n VAL 28 Ca 0.02 -3.35 0.10 0.00 -2.04 0.00 0.00 64.34 59.07 1lxf n VAL 28 Cb 0.07 -0.85 0.52 0.00 -1.47 0.00 0.00 33.84 32.11 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 -0.92 0.50 -0.06 1.34 -0.00 -0.92 -1.11 117.00 115.82 1lxf n LEU 29 Ca 0.46 0.73 0.01 0.00 -0.00 0.00 0.00 56.01 57.21 1lxf n LEU 29 Cb 0.93 -0.79 0.01 0.00 -0.00 0.00 0.00 43.42 43.57 1lxf n LEU 29 CO 0.43 -0.90 0.36 0.61 -0.00 0.00 0.00 177.39 177.89 1lxf n GLY 30 N -1.32 0.10 3.97 1.47 0.00 -1.26 -4.99 105.19 103.16 1lxf n GLY 30 Ca -0.01 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 1lxf n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lxf s ALA 31 N -0.58 3.28 -0.09 4.61 0.00 -0.27 -5.06 121.76 123.64 1lxf s ALA 31 Ca 0.03 -1.55 -0.05 0.00 0.00 0.00 0.00 51.96 50.38 1lxf s ALA 31 Cb 0.02 -2.24 -0.02 0.00 0.00 0.00 0.00 23.12 20.89 1lxf s ALA 31 CO 0.00 -1.72 -0.10 0.93 0.00 0.00 0.00 175.76 174.87 1lxf h GLU 32 N -0.84 0.00 0.00 0.00 4.39 -1.87 -3.47 114.58 112.79 1lxf h GLU 32 Ca -0.39 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1lxf h GLU 32 Cb 1.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 1lxf h GLU 32 CO 0.40 0.00 0.00 -0.25 -1.16 0.00 0.00 179.01 178.00 1lxf n ASP 33 N -3.88 0.00 -1.22 1.42 8.00 -1.26 -5.00 116.55 114.61 1lxf n ASP 33 Ca -0.04 0.01 -0.04 0.00 0.71 0.00 0.00 54.79 55.43 1lxf n ASP 33 Cb 0.15 -0.11 -0.01 0.00 -0.02 0.00 0.00 41.12 41.13 1lxf n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lxf n GLY 34 N 2.29 0.40 3.68 0.44 0.00 -1.26 -5.00 105.19 105.74 1lxf n GLY 34 Ca 0.00 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 2.57 0.04 0.00 1.01 0.39 -4.74 121.20 121.50 1lxf s ILE 36 Ca 0.14 -0.66 -0.17 0.00 0.00 0.00 0.00 60.65 59.96 1lxf s ILE 36 Cb -0.14 -2.91 0.03 0.00 0.01 0.00 0.00 42.46 39.45 1lxf s ILE 36 CO 0.06 0.00 0.38 -0.55 0.00 0.00 0.00 174.94 174.83 1lxf s SER 37 N -4.48 -0.25 0.34 3.58 0.15 -1.26 -1.63 113.70 110.16 1lxf s SER 37 Ca 0.59 -0.02 0.14 0.00 0.70 0.00 0.00 55.95 57.36 1lxf s SER 37 Cb -0.09 0.40 1.12 0.00 -1.71 0.00 0.00 66.02 65.73 1lxf s SER 37 CO 0.39 -0.63 1.61 0.71 1.20 0.00 0.00 173.24 176.53 1lxf h THR 38 N 3.15 0.13 0.04 6.45 1.35 -1.89 0.28 112.91 122.42 1lxf h THR 38 Ca -0.31 -0.04 -0.14 0.00 -0.55 0.00 0.00 66.41 65.37 1lxf h THR 38 Cb 1.20 -0.01 0.01 0.00 -1.73 0.00 0.00 68.15 67.63 1lxf h THR 38 CO 0.44 0.02 -0.56 0.50 -0.25 0.00 0.00 175.52 175.67 1lxf h LYS 39 N 0.13 0.31 0.00 4.72 3.64 -1.93 -3.12 116.57 120.32 1lxf h LYS 39 Ca 0.75 -0.39 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1lxf h LYS 39 Cb 1.81 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.75 1lxf h LYS 39 CO -0.73 1.11 0.27 0.93 -2.27 0.00 0.00 179.45 178.76 1lxf h GLU 40 N -0.32 0.00 0.00 1.90 3.07 -0.82 -1.21 114.58 117.20 1lxf h GLU 40 Ca -0.08 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.63 1lxf h GLU 40 Cb 1.34 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.23 1lxf h GLU 40 CO 0.11 0.00 -0.80 -0.07 -1.40 0.00 0.00 179.01 176.85 1lxf h LEU 41 N 0.00 0.00 -1.36 1.33 3.38 -1.19 -3.33 115.31 114.15 1lxf h LEU 41 Ca 0.00 -0.66 0.47 0.00 0.09 0.00 0.00 57.88 57.78 1lxf h LEU 41 Cb 0.54 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.16 1lxf h LEU 41 CO 0.00 1.29 0.87 0.61 0.09 0.00 0.00 178.44 181.31 1lxf n GLY 42 N 1.50 -0.82 0.21 0.83 0.00 -0.46 0.17 105.19 106.62 1lxf n GLY 42 Ca -0.24 0.74 -0.17 0.00 0.00 0.00 0.00 46.02 46.35 1lxf n GLY 42 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1lxf h LYS 43 N 0.00 0.74 0.05 1.61 2.10 -1.69 -2.98 116.57 116.40 1lxf h LYS 43 Ca 0.86 -0.65 -0.00 0.00 -2.00 0.00 0.00 60.65 58.86 1lxf h LYS 43 Cb 2.79 0.15 0.00 0.00 -0.90 0.00 0.00 32.23 34.27 1lxf h LYS 43 CO -0.45 1.25 -0.02 0.28 -2.00 0.00 0.00 179.45 178.51 1lxf h VAL 44 N 0.49 1.24 -0.79 0.07 2.07 0.16 -3.32 116.25 116.16 1lxf h VAL 44 Ca -0.07 -1.65 0.16 0.00 0.82 0.00 0.00 66.70 65.95 1lxf h VAL 44 Cb 1.47 2.22 -0.15 0.00 -1.52 0.00 0.00 31.29 33.31 1lxf h VAL 44 CO 0.17 0.37 -0.21 0.24 0.02 0.00 0.00 177.57 178.16 1lxf h MET 45 N -0.89 -0.01 -1.15 1.57 2.86 -0.18 0.95 114.93 118.10 1lxf h MET 45 Ca -0.01 0.00 0.32 0.00 -2.06 0.00 0.00 59.70 57.96 1lxf h MET 45 Cb 0.66 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.23 1lxf h MET 45 CO 0.01 -0.01 0.75 -0.09 1.06 0.00 0.00 176.91 178.64 1lxf h ARG 46 N -0.01 0.24 0.00 1.72 2.43 -0.57 2.13 114.38 120.32 1lxf h ARG 46 Ca 0.37 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 1lxf h ARG 46 Cb 0.58 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1lxf h ARG 46 CO -0.82 0.16 0.00 -1.33 -1.51 0.00 0.00 179.97 176.47 1lxf n MET 47 N -4.56 0.21 -0.39 0.20 2.81 0.33 -2.65 117.12 113.06 1lxf n MET 47 Ca 0.29 0.26 0.08 0.00 -1.81 0.00 0.00 57.70 56.51 1lxf n MET 47 Cb 1.09 -1.78 0.26 0.00 -0.71 0.00 0.00 33.22 32.08 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 -2.15 3.40 -0.06 4.03 4.32 0.72 -4.87 117.00 122.38 1lxf n LEU 48 Ca 0.05 -1.71 -0.01 0.00 -0.02 0.00 0.00 56.01 54.32 1lxf n LEU 48 Cb 0.35 -0.44 -0.00 0.00 -1.62 0.00 0.00 43.42 41.70 1lxf n LEU 48 CO 0.26 0.68 -0.01 0.61 -1.22 0.00 0.00 177.39 177.72 1lxf n GLY 49 N 1.13 0.47 3.00 -0.72 0.00 -1.09 -5.03 105.19 102.97 1lxf n GLY 49 Ca 0.19 -0.70 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.45 1.01 -0.73 1.61 -0.21 -1.03 -5.02 119.66 113.84 1lxf s GLN 50 Ca 0.00 -0.31 0.02 0.00 0.02 0.00 0.00 55.36 55.09 1lxf s GLN 50 Cb 0.00 -0.94 0.18 0.00 1.00 0.00 0.00 33.01 33.25 1lxf s GLN 50 CO 0.00 0.11 0.54 1.21 -2.12 0.00 0.00 175.29 175.03 1lxf s ASN 51 N 0.23 5.16 0.90 5.90 2.47 -1.26 -0.42 114.94 127.91 1lxf s ASN 51 Ca -0.04 -3.57 -0.14 0.00 0.42 0.00 0.00 52.86 49.53 1lxf s ASN 51 Cb -0.09 -1.75 0.15 0.00 -1.45 0.00 0.00 41.25 38.11 1lxf s ASN 51 CO 0.01 -0.17 1.26 -2.16 -3.72 0.00 0.00 177.10 172.32 1lxf s PRO 52 N -1.09 1.16 0.36 0.43 0.04 -1.26 -5.04 135.00 129.60 1lxf s PRO 52 Ca 0.24 -0.23 0.08 0.00 0.04 0.00 0.00 61.00 61.13 1lxf s PRO 52 Cb -0.10 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.49 1lxf s PRO 52 CO -0.11 -2.08 0.11 0.95 0.04 0.00 0.00 177.00 175.90 1lxf s THR 53 N -3.75 2.73 -0.73 1.26 -4.23 -1.26 -4.84 115.64 104.80 1lxf s THR 53 Ca 0.69 -1.79 0.25 0.00 -1.18 0.00 0.00 61.69 59.67 1lxf s THR 53 Cb -0.07 -2.92 0.26 0.00 1.34 0.00 0.00 72.50 71.12 1lxf s THR 53 CO 0.51 -0.15 1.77 -0.81 -0.54 0.00 0.00 174.62 175.41 1lxf n PRO 54 N -1.10 0.20 0.03 3.99 -0.04 -1.26 -0.81 135.00 136.00 1lxf n PRO 54 Ca -0.03 0.23 -0.12 0.00 -0.04 0.00 0.00 63.50 63.54 1lxf n PRO 54 Cb 0.62 -1.76 -0.14 0.00 -0.04 0.00 0.00 33.50 32.19 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 0.10 0.00 0.54 4.39 -1.95 -3.15 114.58 114.51 1lxf h GLU 55 Ca 0.00 -0.18 -0.23 0.00 0.34 0.00 0.00 59.36 59.29 1lxf h GLU 55 Cb 0.60 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.28 1lxf h GLU 55 CO 0.00 0.86 -1.56 0.39 -1.16 0.00 0.00 179.01 177.54 1lxf n GLU 56 N -3.28 0.63 0.18 2.33 -0.58 -1.17 -3.89 120.64 114.85 1lxf n GLU 56 Ca -0.14 0.27 0.03 0.00 -0.42 0.00 0.00 57.16 56.89 1lxf n GLU 56 Cb 1.03 -1.80 0.33 0.00 -0.57 0.00 0.00 31.44 30.42 1lxf n GLU 56 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1lxf h LEU 57 N 0.00 0.00 -1.49 -4.62 3.38 -1.10 -2.19 115.31 109.29 1lxf h LEU 57 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1lxf h LEU 57 Cb 1.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.56 1lxf h LEU 57 CO 0.06 0.42 0.00 -0.61 0.09 0.00 0.00 178.44 178.40 1lxf h GLN 58 N 0.00 0.00 0.00 1.13 5.75 -1.66 -0.81 115.11 119.52 1lxf h GLN 58 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1lxf h GLN 58 Cb 0.77 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.32 1lxf h GLN 58 CO 0.05 0.00 0.00 -1.91 -2.65 0.00 0.00 178.83 174.32 1lxf n GLU 59 N -2.59 0.25 0.04 1.69 0.00 -0.82 -2.98 120.64 116.23 1lxf n GLU 59 Ca -0.00 0.24 -0.22 0.00 0.00 0.00 0.00 57.16 57.18 1lxf n GLU 59 Cb 0.17 -1.81 -0.14 0.00 0.00 0.00 0.00 31.44 29.65 1lxf n GLU 59 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.13 177.65 1lxf h MET 60 N 0.00 0.33 -0.22 5.31 2.86 -1.27 -3.36 114.93 118.58 1lxf h MET 60 Ca 0.00 -0.56 -0.01 0.00 -2.06 0.00 0.00 59.70 57.07 1lxf h MET 60 Cb 0.69 0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.55 1lxf h MET 60 CO 0.00 1.27 0.10 0.82 1.06 0.00 0.00 176.91 180.16 1lxf h ILE 61 N 0.07 1.15 -0.07 -1.22 5.03 -1.58 -1.76 117.51 119.14 1lxf h ILE 61 Ca -0.39 -0.44 0.02 0.00 -0.12 0.00 0.00 64.86 63.93 1lxf h ILE 61 Cb 2.06 1.04 -0.00 0.00 -3.03 0.00 0.00 36.82 36.88 1lxf h ILE 61 CO 0.13 0.15 0.42 0.44 -0.68 0.00 0.00 178.15 178.61 1lxf h ASP 62 N 0.22 0.00 1.41 1.72 3.32 -1.70 1.78 116.42 123.17 1lxf h ASP 62 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1lxf h ASP 62 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1lxf h ASP 62 CO -0.01 0.00 -0.31 -0.33 -1.72 0.00 0.00 179.24 176.87 1lxf h GLU 63 N 0.00 0.00 0.00 3.56 5.08 -1.46 -3.32 114.58 118.44 1lxf h GLU 63 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1lxf h GLU 63 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1lxf h GLU 63 CO -0.00 0.00 -0.68 1.33 -1.00 0.00 0.00 179.01 178.66 1lxf n VAL 64 N -2.55 0.00 -2.11 3.13 0.24 0.49 -4.83 118.33 112.71 1lxf n VAL 64 Ca 0.04 -0.25 -0.42 0.00 -2.04 0.00 0.00 64.34 61.67 1lxf n VAL 64 Cb 0.48 0.70 0.00 0.00 -1.47 0.00 0.00 33.84 33.55 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 -1.36 4.39 0.04 -1.34 9.92 0.49 -4.57 116.55 124.13 1lxf n ASP 65 Ca -0.00 -2.90 0.12 0.00 -0.53 0.00 0.00 54.79 51.48 1lxf n ASP 65 Cb 0.07 -1.66 0.16 0.00 -0.64 0.00 0.00 41.12 39.06 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 6.45 0.24 0.00 -1.24 1.02 -1.26 -3.74 120.64 122.12 1lxf n GLU 66 Ca 0.49 0.06 0.09 0.00 -0.02 0.00 0.00 57.16 57.77 1lxf n GLU 66 Cb 0.41 -1.64 -0.10 0.00 -0.02 0.00 0.00 31.44 30.09 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 -1.98 0.88 -0.95 1.62 5.68 -1.26 -4.98 116.55 115.56 1lxf n ASP 67 Ca 0.03 -0.94 -0.05 0.00 -0.50 0.00 0.00 54.79 53.33 1lxf n ASP 67 Cb 0.42 0.99 0.01 0.00 -1.14 0.00 0.00 41.12 41.40 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 1.43 0.44 0.07 6.12 0.00 -1.25 -4.95 105.19 107.05 1lxf n GLY 68 Ca 0.04 -0.55 -0.07 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.37 0.01 0.00 1.61 4.64 -1.94 -3.47 113.55 114.03 1lxf h SER 69 Ca -0.12 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1lxf h SER 69 Cb 1.08 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1lxf h SER 69 CO 0.13 0.99 0.00 0.61 -0.87 0.00 0.00 176.83 177.69 1lxf n GLY 70 N 1.28 0.84 3.15 -0.77 0.00 -1.26 -5.03 105.19 103.39 1lxf n GLY 70 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.45 0.14 -0.49 2.61 -4.23 -1.26 -4.86 115.64 105.10 1lxf s THR 71 Ca 0.00 -1.18 -0.20 0.00 -1.18 0.00 0.00 61.69 59.13 1lxf s THR 71 Cb 0.00 -1.10 0.04 0.00 1.34 0.00 0.00 72.50 72.79 1lxf s THR 71 CO 0.00 -0.65 0.68 -0.69 -0.54 0.00 0.00 174.62 173.42 1lxf s VAL 72 N -3.10 4.78 0.80 2.29 1.01 -0.64 -4.72 120.40 120.82 1lxf s VAL 72 Ca -0.01 -0.15 -0.13 0.00 0.00 0.00 0.00 61.98 61.69 1lxf s VAL 72 Cb 0.02 -4.30 0.20 0.00 0.00 0.00 0.00 36.38 32.30 1lxf s VAL 72 CO -0.07 -0.77 0.72 -0.90 0.00 0.00 0.00 175.10 174.08 1lxf n ASP 73 N 6.40 -1.68 0.00 3.32 5.68 -1.25 0.15 116.55 129.16 1lxf n ASP 73 Ca -0.03 -0.94 0.09 0.00 -0.50 0.00 0.00 54.79 53.40 1lxf n ASP 73 Cb 0.47 -0.66 0.45 0.00 -1.14 0.00 0.00 41.12 40.24 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 -4.03 0.00 0.00 2.11 -0.00 -0.47 -3.19 117.46 111.88 1lxf n PHE 74 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.55 1lxf n PHE 74 Cb 0.38 -0.33 0.00 0.00 -0.00 0.00 0.00 39.48 39.53 1lxf n PHE 74 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1lxf n ASP 75 N -1.33 0.00 -0.61 -2.13 8.00 -1.26 -4.34 116.55 114.88 1lxf n ASP 75 Ca 0.08 0.00 0.48 0.00 0.71 0.00 0.00 54.79 56.06 1lxf n ASP 75 Cb 0.16 0.00 0.79 0.00 -0.02 0.00 0.00 41.12 42.06 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 0.01 0.00 -1.24 4.11 -1.92 -2.27 114.58 113.27 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 0.01 0.00 0.34 0.07 0.00 0.00 179.01 179.43 1lxf n PHE 77 N -4.07 0.00 -0.34 2.06 7.35 -1.19 -0.48 117.46 120.79 1lxf n PHE 77 Ca 0.40 0.00 0.27 0.00 -0.76 0.00 0.00 57.45 57.36 1lxf n PHE 77 Cb 1.81 -0.25 0.52 0.00 0.35 0.00 0.00 39.48 41.91 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 0.44 0.21 -2.13 3.38 -1.60 -1.81 115.31 113.80 1lxf h LEU 78 Ca 0.00 0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1lxf h LEU 78 Cb 0.00 0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1lxf h LEU 78 CO 0.00 -0.23 -0.10 0.58 0.09 0.00 0.00 178.44 178.78 1lxf h VAL 79 N 0.21 0.00 -0.82 1.22 2.07 -1.39 0.28 116.25 117.83 1lxf h VAL 79 Ca 0.77 -0.02 0.12 0.00 0.82 0.00 0.00 66.70 68.39 1lxf h VAL 79 Cb 1.90 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 31.54 1lxf h VAL 79 CO -0.64 0.00 -0.36 0.80 0.02 0.00 0.00 177.57 177.39 1lxf n MET 80 N -2.82 -0.23 0.32 1.57 0.00 0.37 0.18 117.12 116.50 1lxf n MET 80 Ca -0.04 1.26 -0.12 0.00 -0.00 0.00 0.00 57.70 58.80 1lxf n MET 80 Cb 0.11 -1.87 -0.06 0.00 0.00 0.00 0.00 33.22 31.41 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 -0.79 -0.66 2.12 2.07 -1.47 -1.59 114.93 114.62 1lxf h MET 81 Ca 0.25 0.05 0.19 0.00 -2.07 0.00 0.00 59.70 58.13 1lxf h MET 81 Cb 0.46 0.18 -0.03 0.00 -1.87 0.00 0.00 31.60 30.34 1lxf h MET 81 CO -0.81 -0.52 0.50 -0.24 1.07 0.00 0.00 176.91 176.91 1lxf h VAL 82 N -0.82 0.60 -0.04 -2.22 3.04 0.44 0.32 116.25 117.58 1lxf h VAL 82 Ca -0.08 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.59 1lxf h VAL 82 Cb 0.62 0.65 -0.00 0.00 -2.01 0.00 0.00 31.29 30.55 1lxf h VAL 82 CO 0.14 0.00 -0.02 -0.09 -1.01 0.00 0.00 177.57 176.58 1lxf h ARG 83 N 0.00 0.08 0.00 4.17 2.43 0.21 -3.16 114.38 118.11 1lxf h ARG 83 Ca 0.31 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1lxf h ARG 83 Cb 1.31 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 1lxf h ARG 83 CO -0.00 0.50 -0.08 0.00 -1.51 0.00 0.00 179.97 178.87 1lxf n MET 85 N -4.26 -0.01 -3.26 0.00 0.00 0.10 -1.68 117.12 108.02 1lxf n MET 85 Ca -0.01 0.94 -0.45 0.00 0.00 0.00 0.00 57.70 58.18 1lxf n MET 85 Cb 0.04 -2.08 -0.01 0.00 0.00 0.00 0.00 33.22 31.18 1lxf n MET 85 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 1lxf s LYS 86 N -4.66 4.00 -0.11 3.17 1.02 -1.19 -4.59 119.74 117.38 1lxf s LYS 86 Ca -0.05 -2.85 -0.00 0.00 0.02 0.00 0.00 55.97 53.09 1lxf s LYS 86 Cb 0.23 -4.62 0.00 0.00 -0.52 0.00 0.00 37.83 32.92 1lxf s LYS 86 CO 0.73 -1.36 0.11 -0.25 -0.92 0.00 0.00 175.35 173.65 1lxf n ASP 87 N 3.68 -2.90 -4.52 2.83 8.00 -0.97 -4.90 116.55 117.77 1lxf n ASP 87 Ca 0.23 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.30 1lxf n ASP 87 Cb 0.42 -1.67 -0.00 0.00 -0.02 0.00 0.00 41.12 39.86 1lxf n ASP 87 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1lxf n ASP 88 N -1.03 0.21 0.00 -2.24 -0.08 -0.68 -4.84 116.55 107.89 1lxf n ASP 88 Ca 0.00 1.03 0.02 0.00 -1.51 0.00 0.00 54.79 54.34 1lxf n ASP 88 Cb 0.44 -1.21 0.14 0.00 2.34 0.00 0.00 41.12 42.84 1lxf n ASP 88 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08