#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 -4.63 0.13 7.83 9.92 -1.26 -4.87 116.55 123.67 1lxf n ASP 2 Ca 0.00 -1.06 -0.23 0.00 -0.53 0.00 0.00 54.79 52.97 1lxf n ASP 2 Cb 0.00 -1.59 -0.15 0.00 -0.64 0.00 0.00 41.12 38.73 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 -0.84 0.74 -1.07 -2.24 5.19 -2.03 -3.27 116.42 112.90 1lxf h ASP 3 Ca -0.67 -0.85 0.31 0.00 -0.62 0.00 0.00 57.03 55.21 1lxf h ASP 3 Cb 1.41 -0.24 -0.04 0.00 0.18 0.00 0.00 39.33 40.64 1lxf h ASP 3 CO 0.40 1.67 0.94 0.16 -3.12 0.00 0.00 179.24 179.30 1lxf h ILE 4 N 0.13 0.22 0.00 0.35 -2.65 -2.03 2.07 117.51 115.60 1lxf h ILE 4 Ca -0.26 0.00 -0.20 0.00 1.03 0.00 0.00 64.86 65.44 1lxf h ILE 4 Cb 2.13 0.29 -0.03 0.00 -2.05 0.00 0.00 36.82 37.17 1lxf h ILE 4 CO 0.25 0.00 -0.93 1.88 0.03 0.00 0.00 178.15 179.38 1lxf h TYR 5 N 0.00 0.02 -0.26 0.16 -1.99 -1.93 -3.13 116.97 109.83 1lxf h TYR 5 Ca 0.51 -0.01 0.08 0.00 2.00 0.00 0.00 58.73 61.30 1lxf h TYR 5 Cb 2.39 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 41.11 1lxf h TYR 5 CO 0.00 0.93 0.51 0.87 -0.00 0.00 0.00 178.16 180.47 1lxf h LYS 6 N 0.00 0.00 0.21 4.88 1.79 0.32 1.10 116.57 124.88 1lxf h LYS 6 Ca -0.01 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.14 1lxf h LYS 6 Cb 1.64 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 32.31 1lxf h LYS 6 CO 0.12 0.00 -1.44 0.00 -1.08 0.00 0.00 179.45 177.05 1lxf h ALA 7 N 1.23 -0.05 0.08 3.86 0.00 -1.56 -2.88 119.26 119.94 1lxf h ALA 7 Ca 0.13 -0.90 -0.00 0.00 0.00 0.00 0.00 54.91 54.13 1lxf h ALA 7 Cb 1.14 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1lxf h ALA 7 CO -0.00 0.82 -0.04 0.00 0.00 0.00 0.00 179.25 180.02 1lxf h ALA 8 N 0.29 -0.11 -0.81 0.00 0.00 0.88 -0.60 119.26 118.91 1lxf h ALA 8 Ca -0.23 -0.23 0.24 0.00 0.00 0.00 0.00 54.91 54.68 1lxf h ALA 8 Cb 2.11 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.91 1lxf h ALA 8 CO 0.25 -0.31 0.59 -0.39 0.00 0.00 0.00 179.25 179.38 1lxf h VAL 9 N -0.61 0.58 0.01 0.00 -1.51 -0.39 0.47 116.25 114.80 1lxf h VAL 9 Ca -0.01 0.00 -0.25 0.00 -1.23 0.00 0.00 66.70 65.20 1lxf h VAL 9 Cb 0.50 0.59 0.02 0.00 -2.13 0.00 0.00 31.29 30.27 1lxf h VAL 9 CO 0.02 0.00 -1.00 -0.33 -1.23 0.00 0.00 177.57 175.03 1lxf h GLU 10 N 0.00 0.66 -0.79 5.19 4.39 -1.26 -3.26 114.58 119.51 1lxf h GLU 10 Ca 0.39 -0.72 0.17 0.00 0.34 0.00 0.00 59.36 59.53 1lxf h GLU 10 Cb 1.57 0.21 -0.15 0.00 -0.10 0.00 0.00 28.75 30.28 1lxf h GLU 10 CO -0.00 1.31 -0.11 1.96 -1.16 0.00 0.00 179.01 181.00 1lxf h GLN 11 N 0.31 0.03 -6.24 2.33 1.08 0.16 -3.41 115.11 109.37 1lxf h GLN 11 Ca -0.13 -0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 56.56 1lxf h GLN 11 Cb 1.67 -0.01 0.24 0.00 -0.05 0.00 0.00 27.48 29.33 1lxf h GLN 11 CO 0.20 0.02 -1.87 1.28 -0.95 0.00 0.00 178.83 177.51 1lxf n LEU 12 N -5.46 -3.39 -5.01 1.46 4.77 -1.08 -4.98 117.00 103.30 1lxf n LEU 12 Ca 0.13 0.07 -0.18 0.00 -0.03 0.00 0.00 56.01 56.00 1lxf n LEU 12 Cb 0.45 -0.76 0.02 0.00 -2.33 0.00 0.00 43.42 40.80 1lxf n LEU 12 CO -0.00 -3.82 0.19 0.42 -1.33 0.00 0.00 177.39 172.85 1lxf s THR 13 N -2.10 2.79 0.34 -5.08 -4.23 -1.26 -4.99 115.64 101.11 1lxf s THR 13 Ca 0.44 -1.01 0.04 0.00 -1.18 0.00 0.00 61.69 59.97 1lxf s THR 13 Cb -0.06 -2.81 0.29 0.00 1.34 0.00 0.00 72.50 71.26 1lxf s THR 13 CO 0.71 0.00 1.94 -0.08 -0.54 0.00 0.00 174.62 176.65 1lxf h GLU 14 N 0.55 0.84 0.00 3.99 4.57 -1.94 -2.42 114.58 120.17 1lxf h GLU 14 Ca -0.38 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 1lxf h GLU 14 Cb 1.28 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 1lxf h GLU 14 CO 0.45 0.55 0.00 0.39 -1.18 0.00 0.00 179.01 179.22 1lxf n GLU 15 N -4.49 0.00 -0.34 1.92 -0.58 -1.26 -0.73 120.64 115.16 1lxf n GLU 15 Ca 0.12 0.27 0.17 0.00 -0.42 0.00 0.00 57.16 57.30 1lxf n GLU 15 Cb 0.23 -1.10 0.34 0.00 -0.57 0.00 0.00 31.44 30.33 1lxf n GLU 15 CO 0.00 0.00 0.00 -0.56 -0.48 0.00 0.00 177.13 176.09 1lxf h GLN 16 N 0.00 0.02 -0.70 3.49 3.07 -1.96 1.27 115.11 120.29 1lxf h GLN 16 Ca 0.00 -0.00 0.14 0.00 0.09 0.00 0.00 58.65 58.88 1lxf h GLN 16 Cb 0.00 -0.00 -0.10 0.00 0.08 0.00 0.00 27.48 27.46 1lxf h GLN 16 CO 0.00 0.01 0.20 -0.22 0.09 0.00 0.00 178.83 178.91 1lxf h LYS 17 N 0.02 0.31 0.00 0.06 1.63 -1.10 0.26 116.57 117.74 1lxf h LYS 17 Ca 0.64 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.42 1lxf h LYS 17 Cb 1.39 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.95 1lxf h LYS 17 CO -0.89 0.21 0.00 0.09 -3.45 0.00 0.00 179.45 175.41 1lxf n ASN 18 N -5.10 0.00 -0.48 4.20 3.02 0.43 -0.76 115.26 116.58 1lxf n ASN 18 Ca 0.12 0.77 0.40 0.00 -0.03 0.00 0.00 54.58 55.84 1lxf n ASN 18 Cb 0.40 -0.33 0.68 0.00 -0.61 0.00 0.00 39.78 39.92 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 -1.48 -0.04 0.31 3.52 0.28 -0.93 0.06 120.64 122.37 1lxf n GLU 19 Ca 0.00 1.25 -0.13 0.00 -0.16 0.00 0.00 57.16 58.13 1lxf n GLU 19 Cb 0.00 -2.48 -0.06 0.00 1.43 0.00 0.00 31.44 30.34 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 -0.76 -0.57 -1.84 0.04 -0.32 0.12 116.94 113.61 1lxf h PHE 20 Ca 0.88 -0.02 0.11 0.00 2.80 0.00 0.00 57.97 61.75 1lxf h PHE 20 Cb 2.85 0.25 -0.11 0.00 2.20 0.00 0.00 35.95 41.14 1lxf h PHE 20 CO -0.01 -0.47 -0.20 0.87 -0.60 0.00 0.00 178.31 177.90 1lxf h LYS 21 N -1.03 -0.06 -0.05 1.51 1.57 0.18 1.01 116.57 119.70 1lxf h LYS 21 Ca -0.08 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1lxf h LYS 21 Cb 0.63 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.90 1lxf h LYS 21 CO 0.14 -0.04 -0.21 0.00 -0.57 0.00 0.00 179.45 178.77 1lxf h ALA 22 N 1.39 -0.23 0.00 3.86 0.00 -0.93 0.42 119.26 123.78 1lxf h ALA 22 Ca 0.27 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1lxf h ALA 22 Cb 0.47 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1lxf h ALA 22 CO -0.62 -0.69 0.00 0.00 0.00 0.00 0.00 179.25 177.94 1lxf h ALA 23 N 0.62 1.00 -0.18 0.00 0.00 0.13 0.01 119.26 120.84 1lxf h ALA 23 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1lxf h ALA 23 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1lxf h ALA 23 CO -0.23 0.00 -0.42 0.35 0.00 0.00 0.00 179.25 178.95 1lxf h PHE 24 N 0.00 0.51 0.00 0.00 3.04 0.55 -1.95 116.94 119.08 1lxf h PHE 24 Ca 0.00 -0.15 0.00 0.00 3.98 0.00 0.00 57.97 61.80 1lxf h PHE 24 Cb 0.09 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 38.49 1lxf h PHE 24 CO 0.00 0.78 0.00 -0.25 -2.02 0.00 0.00 178.31 176.82 1lxf n ASP 25 N -4.02 0.00 -0.10 0.41 9.92 -0.01 -2.65 116.55 120.10 1lxf n ASP 25 Ca -0.02 -1.17 -0.16 0.00 -0.53 0.00 0.00 54.79 52.92 1lxf n ASP 25 Cb 0.51 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.91 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 -0.89 1.08 -0.18 0.53 2.08 -0.80 -2.97 119.36 118.21 1lxf n ILE 26 Ca 0.18 -0.37 -0.05 0.00 0.56 0.00 0.00 62.75 63.06 1lxf n ILE 26 Cb 0.08 -1.34 0.11 0.00 -0.75 0.00 0.00 39.64 37.74 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 1.02 -0.34 1.39 0.04 -1.40 -2.66 116.94 114.78 1lxf h PHE 27 Ca -0.44 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.20 1lxf h PHE 27 Cb 1.59 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 39.45 1lxf h PHE 27 CO -0.00 0.86 0.00 1.33 -0.60 0.00 0.00 178.31 179.90 1lxf n VAL 28 N -4.23 2.04 -1.68 -0.55 0.24 -1.09 -4.23 118.33 108.82 1lxf n VAL 28 Ca 0.04 -1.61 -0.49 0.00 -2.04 0.00 0.00 64.34 60.24 1lxf n VAL 28 Cb 0.27 -0.07 -0.05 0.00 -1.47 0.00 0.00 33.84 32.52 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 -0.07 3.28 0.00 1.34 -0.00 -1.00 0.11 117.00 120.65 1lxf n LEU 29 Ca 0.20 0.99 0.00 0.00 -0.00 0.00 0.00 56.01 57.21 1lxf n LEU 29 Cb 0.83 -1.35 0.00 0.00 -0.00 0.00 0.00 43.42 42.90 1lxf n LEU 29 CO 0.16 -0.12 0.00 0.61 -0.00 0.00 0.00 177.39 178.04 1lxf n GLY 30 N 4.30 2.96 3.29 1.47 0.00 -1.26 -5.00 105.19 110.95 1lxf n GLY 30 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.33 -3.80 -0.02 4.61 0.00 0.12 -4.94 120.51 116.15 1lxf n ALA 31 Ca 0.00 -1.03 -0.16 0.00 0.00 0.00 0.00 53.44 52.25 1lxf n ALA 31 Cb 0.00 -1.55 -0.13 0.00 0.00 0.00 0.00 19.45 17.77 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 -1.77 0.13 0.00 0.00 4.81 -1.95 -3.45 114.58 112.35 1lxf h GLU 32 Ca -0.49 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 58.55 1lxf h GLU 32 Cb 1.33 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.78 1lxf h GLU 32 CO 0.35 1.02 0.00 -0.40 -0.73 0.00 0.00 179.01 179.25 1lxf n ASP 33 N -4.46 0.00 -2.47 1.04 5.75 -1.26 -5.05 116.55 110.09 1lxf n ASP 33 Ca -0.11 0.00 -0.03 0.00 -0.01 0.00 0.00 54.79 54.64 1lxf n ASP 33 Cb 0.57 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.68 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 3.41 -0.19 3.94 6.12 0.00 -1.26 -5.05 105.19 112.15 1lxf n GLY 34 Ca 0.00 -0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.05 2.79 0.88 0.00 1.01 -1.18 -3.97 121.20 118.67 1lxf s ILE 36 Ca 0.39 -4.15 -0.11 0.00 0.00 0.00 0.00 60.65 56.78 1lxf s ILE 36 Cb -0.10 -2.84 0.12 0.00 0.01 0.00 0.00 42.46 39.64 1lxf s ILE 36 CO 0.31 -0.99 1.09 -0.44 0.00 0.00 0.00 174.94 174.91 1lxf s SER 37 N -1.31 3.57 0.18 3.58 0.01 -1.26 -4.03 113.70 114.44 1lxf s SER 37 Ca 0.24 1.64 -0.14 0.00 1.31 0.00 0.00 55.95 59.01 1lxf s SER 37 Cb -0.06 -2.31 0.16 0.00 0.21 0.00 0.00 66.02 64.03 1lxf s SER 37 CO -0.15 -2.60 1.70 0.71 0.41 0.00 0.00 173.24 173.31 1lxf h THR 38 N -1.52 0.69 0.00 1.44 1.35 -1.90 0.24 112.91 113.21 1lxf h THR 38 Ca -0.48 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1lxf h THR 38 Cb 1.27 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 1lxf h THR 38 CO 0.52 0.03 0.00 0.11 -0.25 0.00 0.00 175.52 175.93 1lxf h LYS 39 N 0.17 0.00 0.05 4.72 1.57 -1.91 -2.53 116.57 118.64 1lxf h LYS 39 Ca 0.23 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.78 1lxf h LYS 39 Cb 0.32 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1lxf h LYS 39 CO -0.34 0.00 -1.09 0.93 -0.57 0.00 0.00 179.45 178.38 1lxf h GLU 40 N 0.00 0.13 0.04 3.15 4.39 -1.09 -3.29 114.58 117.91 1lxf h GLU 40 Ca 0.00 -0.21 -0.26 0.00 0.34 0.00 0.00 59.36 59.23 1lxf h GLU 40 Cb 0.71 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.41 1lxf h GLU 40 CO 0.00 1.08 -1.30 1.25 -1.16 0.00 0.00 179.01 178.89 1lxf h LEU 41 N 0.04 0.13 -2.41 1.33 5.85 -0.59 -3.26 115.31 116.41 1lxf h LEU 41 Ca -0.06 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1lxf h LEU 41 Cb 1.82 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.81 1lxf h LEU 41 CO 0.16 1.14 0.19 1.23 -0.34 0.00 0.00 178.44 180.82 1lxf h GLY 42 N 2.66 0.00 0.33 3.75 0.00 -1.52 -1.25 103.07 107.05 1lxf h GLY 42 Ca -0.13 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 1lxf h GLY 42 CO 0.13 0.00 -0.01 0.50 0.00 0.00 0.00 176.54 177.16 1lxf h LYS 43 N 0.00 -0.02 0.77 4.80 1.79 -1.66 -3.00 116.57 119.24 1lxf h LYS 43 Ca 0.00 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 1lxf h LYS 43 Cb 0.37 0.01 0.01 0.00 -1.58 0.00 0.00 32.23 31.04 1lxf h LYS 43 CO 0.00 0.61 -0.37 0.28 -1.08 0.00 0.00 179.45 178.89 1lxf h VAL 44 N -0.69 0.00 -1.09 0.50 2.07 -1.42 -2.85 116.25 112.77 1lxf h VAL 44 Ca -0.00 -0.17 0.42 0.00 0.82 0.00 0.00 66.70 67.77 1lxf h VAL 44 Cb 0.65 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.25 1lxf h VAL 44 CO 0.00 0.00 0.63 0.24 0.02 0.00 0.00 177.57 178.46 1lxf h MET 45 N -1.21 0.04 -0.77 1.57 2.86 -1.55 1.81 114.93 117.68 1lxf h MET 45 Ca -0.11 -0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.56 1lxf h MET 45 Cb 0.79 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.40 1lxf h MET 45 CO 0.17 0.02 0.49 -0.09 1.06 0.00 0.00 176.91 178.57 1lxf h ARG 46 N 0.04 0.93 0.00 1.72 9.65 -0.25 0.61 114.38 127.09 1lxf h ARG 46 Ca 0.84 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 59.67 1lxf h ARG 46 Cb 2.32 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 30.69 1lxf h ARG 46 CO -0.68 0.62 0.00 -1.33 2.80 0.00 0.00 179.97 181.38 1lxf n MET 47 N -4.61 0.23 -0.79 0.20 0.00 0.60 -2.61 117.12 110.14 1lxf n MET 47 Ca 0.09 0.32 0.01 0.00 0.00 0.00 0.00 57.70 58.11 1lxf n MET 47 Cb 0.08 -1.84 0.30 0.00 0.00 0.00 0.00 33.22 31.76 1lxf n MET 47 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1lxf n LEU 48 N -2.25 5.14 -0.48 4.03 4.32 0.01 -4.86 117.00 122.91 1lxf n LEU 48 Ca 0.04 -2.64 -0.06 0.00 -0.02 0.00 0.00 56.01 53.33 1lxf n LEU 48 Cb 0.33 -0.68 -0.03 0.00 -1.62 0.00 0.00 43.42 41.43 1lxf n LEU 48 CO 0.25 0.63 -0.06 0.61 -1.22 0.00 0.00 177.39 177.61 1lxf n GLY 49 N 0.26 0.83 3.12 -0.72 0.00 -1.07 -4.99 105.19 102.61 1lxf n GLY 49 Ca 0.28 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.16 2.63 -0.79 1.61 -1.52 0.19 -5.00 119.66 114.62 1lxf s GLN 50 Ca 0.00 -0.71 0.01 0.00 -1.95 0.00 0.00 55.36 52.70 1lxf s GLN 50 Cb 0.00 -2.16 0.19 0.00 -0.22 0.00 0.00 33.01 30.82 1lxf s GLN 50 CO 0.00 -0.03 0.63 1.21 -0.25 0.00 0.00 175.29 176.85 1lxf s ASN 51 N 0.89 5.47 0.97 5.90 3.04 -1.26 -0.07 114.94 129.88 1lxf s ASN 51 Ca -0.07 -3.65 -0.16 0.00 0.04 0.00 0.00 52.86 49.02 1lxf s ASN 51 Cb -0.15 -1.81 0.21 0.00 -1.54 0.00 0.00 41.25 37.97 1lxf s ASN 51 CO -0.02 -0.17 1.33 -2.16 -3.04 0.00 0.00 177.10 173.04 1lxf s PRO 52 N -1.21 0.51 0.46 0.43 0.04 -1.26 -5.06 135.00 128.91 1lxf s PRO 52 Ca 0.25 -0.52 0.05 0.00 0.04 0.00 0.00 61.00 60.81 1lxf s PRO 52 Cb -0.09 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 1lxf s PRO 52 CO -0.12 -2.48 0.10 0.95 0.04 0.00 0.00 177.00 175.48 1lxf s THR 53 N -3.90 1.75 -0.38 1.26 -4.23 -1.26 -4.98 115.64 103.90 1lxf s THR 53 Ca 0.75 -1.87 0.21 0.00 -1.18 0.00 0.00 61.69 59.61 1lxf s THR 53 Cb -0.03 -2.61 0.28 0.00 1.34 0.00 0.00 72.50 71.48 1lxf s THR 53 CO 0.53 0.00 1.57 1.55 -0.54 0.00 0.00 174.62 177.73 1lxf h PRO 54 N 1.42 0.00 0.00 3.99 0.13 -1.99 -1.95 132.00 133.61 1lxf h PRO 54 Ca -0.43 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.58 1lxf h PRO 54 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 1lxf h PRO 54 CO 0.73 0.10 -0.99 1.05 -0.23 0.00 0.00 178.00 178.66 1lxf h GLU 55 N 0.00 0.00 0.12 0.86 4.11 -1.97 -2.93 114.58 114.77 1lxf h GLU 55 Ca -0.00 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 59.08 1lxf h GLU 55 Cb 1.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 1lxf h GLU 55 CO 0.01 0.31 -1.87 0.93 0.07 0.00 0.00 179.01 178.46 1lxf h GLU 56 N 0.00 0.25 -0.33 1.06 5.08 -1.97 -3.37 114.58 115.30 1lxf h GLU 56 Ca -0.08 -0.42 -0.15 0.00 -1.00 0.00 0.00 59.36 57.71 1lxf h GLU 56 Cb 1.42 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.82 1lxf h GLU 56 CO 0.04 1.12 -0.38 -0.07 -1.00 0.00 0.00 179.01 178.73 1lxf h LEU 57 N 0.07 0.83 -1.92 1.33 3.38 -1.49 -2.95 115.31 114.56 1lxf h LEU 57 Ca -0.37 -0.37 0.49 0.00 0.09 0.00 0.00 57.88 57.72 1lxf h LEU 57 Cb 2.04 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 42.48 1lxf h LEU 57 CO 0.11 1.11 1.19 -0.61 0.09 0.00 0.00 178.44 180.33 1lxf h GLN 58 N 0.65 0.01 -0.28 1.13 5.75 -1.67 2.03 115.11 122.73 1lxf h GLN 58 Ca 0.06 -0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.41 1lxf h GLN 58 Cb 0.93 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.47 1lxf h GLN 58 CO 0.09 0.01 -0.41 0.93 -2.65 0.00 0.00 178.83 176.80 1lxf h GLU 59 N 0.02 0.68 -0.85 1.69 5.08 -1.72 -2.22 114.58 117.25 1lxf h GLU 59 Ca 0.82 -0.35 0.02 0.00 -1.00 0.00 0.00 59.36 58.85 1lxf h GLU 59 Cb 3.20 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 32.42 1lxf h GLU 59 CO -0.07 0.96 0.55 0.52 -1.00 0.00 0.00 179.01 179.98 1lxf h MET 60 N 0.56 1.07 -0.42 2.33 2.86 0.31 -2.03 114.93 119.60 1lxf h MET 60 Ca 0.04 -0.06 -0.14 0.00 -2.06 0.00 0.00 59.70 57.48 1lxf h MET 60 Cb 0.94 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 1lxf h MET 60 CO 0.09 0.71 -0.28 0.82 1.06 0.00 0.00 176.91 179.30 1lxf h ILE 61 N 1.10 1.27 -0.90 -1.22 5.03 -1.36 -2.83 117.51 118.60 1lxf h ILE 61 Ca 0.33 -1.44 0.19 0.00 -0.12 0.00 0.00 64.86 63.81 1lxf h ILE 61 Cb -0.05 1.24 -0.07 0.00 -3.03 0.00 0.00 36.82 34.91 1lxf h ILE 61 CO -0.10 0.49 0.59 0.44 -0.68 0.00 0.00 178.15 178.89 1lxf h ASP 62 N 0.77 0.50 -0.43 1.72 5.19 -0.74 2.23 116.42 125.67 1lxf h ASP 62 Ca 0.09 0.05 -0.06 0.00 -0.62 0.00 0.00 57.03 56.49 1lxf h ASP 62 Cb 0.85 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.29 1lxf h ASP 62 CO 0.07 0.21 0.07 -0.33 -3.12 0.00 0.00 179.24 176.15 1lxf h GLU 63 N 0.50 0.78 0.00 3.56 4.39 -1.21 -2.77 114.58 119.83 1lxf h GLU 63 Ca 0.47 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.99 1lxf h GLU 63 Cb 1.03 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 1lxf h GLU 63 CO -0.20 0.74 -1.30 1.33 -1.16 0.00 0.00 179.01 178.42 1lxf n VAL 64 N -4.25 0.40 -1.98 3.13 0.24 0.10 -4.50 118.33 111.47 1lxf n VAL 64 Ca 0.03 -0.51 -0.41 0.00 -2.04 0.00 0.00 64.34 61.41 1lxf n VAL 64 Cb 0.25 -0.20 -0.00 0.00 -1.47 0.00 0.00 33.84 32.42 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 -2.50 5.90 0.09 -1.34 9.92 0.72 -4.54 116.55 124.79 1lxf n ASP 65 Ca -0.01 -2.98 0.12 0.00 -0.53 0.00 0.00 54.79 51.39 1lxf n ASP 65 Cb 0.55 -1.51 0.20 0.00 -0.64 0.00 0.00 41.12 39.72 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 5.47 0.00 0.00 -1.24 5.08 -1.79 -3.28 114.58 118.81 1lxf h GLU 66 Ca 0.56 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.75 1lxf h GLU 66 Cb 0.52 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1lxf h GLU 66 CO 1.68 0.00 -1.47 -0.40 -1.00 0.00 0.00 179.01 177.82 1lxf n ASP 67 N -2.28 0.81 -0.05 1.42 5.75 -1.26 -4.98 116.55 115.96 1lxf n ASP 67 Ca 0.03 0.36 0.00 0.00 -0.01 0.00 0.00 54.79 55.17 1lxf n ASP 67 Cb 0.46 0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.77 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 1.41 1.34 0.08 6.12 0.00 -1.24 -5.03 105.19 107.87 1lxf n GLY 68 Ca -0.11 -0.16 -0.08 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.05 0.00 1.61 4.64 -1.94 -3.49 113.55 114.33 1lxf h SER 69 Ca 0.00 -0.45 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1lxf h SER 69 Cb 0.20 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1lxf h SER 69 CO 0.00 0.66 0.00 0.61 -0.87 0.00 0.00 176.83 177.23 1lxf n GLY 70 N 1.45 1.70 3.33 -0.77 0.00 -1.26 -5.10 105.19 104.55 1lxf n GLY 70 Ca -0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.35 0.17 0.45 2.61 -4.23 -1.26 -4.88 115.64 107.15 1lxf s THR 71 Ca 0.00 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.59 1lxf s THR 71 Cb 0.00 -2.47 0.02 0.00 1.34 0.00 0.00 72.50 71.39 1lxf s THR 71 CO 0.00 0.00 0.61 -0.69 -0.54 0.00 0.00 174.62 174.00 1lxf s VAL 72 N -3.51 2.84 0.00 2.29 1.01 -1.26 -4.73 120.40 117.04 1lxf s VAL 72 Ca 0.36 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1lxf s VAL 72 Cb 0.03 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.58 1lxf s VAL 72 CO 0.21 0.00 0.00 -0.90 0.00 0.00 0.00 175.10 174.41 1lxf n ASP 73 N -1.93 0.14 -0.55 3.32 5.68 -1.26 -3.13 116.55 118.83 1lxf n ASP 73 Ca 0.09 -0.66 0.04 0.00 -0.50 0.00 0.00 54.79 53.76 1lxf n ASP 73 Cb 0.59 0.00 0.11 0.00 -1.14 0.00 0.00 41.12 40.69 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 0.00 0.39 0.00 2.11 7.35 -1.18 -3.48 117.46 122.65 1lxf n PHE 74 Ca 0.00 -0.18 0.00 0.00 -0.76 0.00 0.00 57.45 56.51 1lxf n PHE 74 Cb 0.00 -0.05 0.00 0.00 0.35 0.00 0.00 39.48 39.78 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 0.21 3.81 -0.03 -2.13 9.92 -1.26 -4.70 116.55 122.36 1lxf n ASP 75 Ca 0.08 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.24 1lxf n ASP 75 Cb 0.27 0.00 0.04 0.00 -0.64 0.00 0.00 41.12 40.79 1lxf n ASP 75 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1lxf h GLU 76 N 0.00 0.68 0.00 -1.24 5.08 -1.93 -3.14 114.58 114.03 1lxf h GLU 76 Ca 0.00 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1lxf h GLU 76 Cb 0.99 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1lxf h GLU 76 CO 0.00 1.01 0.00 0.34 -1.00 0.00 0.00 179.01 179.36 1lxf n PHE 77 N -4.00 0.00 -0.34 4.33 7.35 -1.23 0.17 117.46 123.74 1lxf n PHE 77 Ca -0.03 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.56 1lxf n PHE 77 Cb 0.58 -0.26 -0.09 0.00 0.35 0.00 0.00 39.48 40.06 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 -1.84 0.16 -2.13 3.38 -1.84 -0.95 115.31 112.09 1lxf h LEU 78 Ca 0.00 0.28 0.01 0.00 0.09 0.00 0.00 57.88 58.25 1lxf h LEU 78 Cb 0.00 0.81 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 1lxf h LEU 78 CO 0.00 -0.21 -0.49 0.58 0.09 0.00 0.00 178.44 178.41 1lxf h VAL 79 N -0.04 0.00 -0.82 1.22 2.07 -1.48 -2.11 116.25 115.10 1lxf h VAL 79 Ca 0.13 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.79 1lxf h VAL 79 Cb 0.37 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.00 1lxf h VAL 79 CO -0.78 0.00 -0.26 0.80 0.02 0.00 0.00 177.57 177.35 1lxf n MET 80 N -5.26 -0.13 0.20 1.57 0.00 0.44 0.15 117.12 114.09 1lxf n MET 80 Ca -0.08 1.26 -0.16 0.00 -0.00 0.00 0.00 57.70 58.72 1lxf n MET 80 Cb 0.39 -1.88 -0.08 0.00 0.00 0.00 0.00 33.22 31.64 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 -0.78 -0.12 2.12 2.07 -0.57 0.20 114.93 117.85 1lxf h MET 81 Ca 0.34 0.05 0.03 0.00 -2.07 0.00 0.00 59.70 58.06 1lxf h MET 81 Cb 0.54 0.18 -0.00 0.00 -1.87 0.00 0.00 31.60 30.44 1lxf h MET 81 CO -0.83 -0.52 0.25 0.28 1.07 0.00 0.00 176.91 177.16 1lxf h VAL 82 N -0.81 0.21 0.14 -2.22 2.07 0.16 0.35 116.25 116.15 1lxf h VAL 82 Ca -0.02 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.21 1lxf h VAL 82 Cb 0.75 0.78 0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1lxf h VAL 82 CO -0.15 0.00 -1.33 -0.09 0.02 0.00 0.00 177.57 176.02 1lxf h ARG 83 N 0.00 0.29 0.00 1.57 2.43 0.15 -2.97 114.38 115.85 1lxf h ARG 83 Ca 0.06 -0.50 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 1lxf h ARG 83 Cb 0.55 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1lxf h ARG 83 CO -0.00 1.22 -0.27 0.00 -1.51 0.00 0.00 179.97 179.40 1lxf h MET 85 N 0.00 -0.10 -0.39 0.00 2.86 -0.51 -2.26 114.93 114.53 1lxf h MET 85 Ca 0.00 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.68 1lxf h MET 85 Cb 0.90 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.54 1lxf h MET 85 CO 0.00 -0.07 0.18 0.87 1.06 0.00 0.00 176.91 178.95 1lxf h LYS 86 N -0.44 0.36 -2.45 1.72 1.57 -1.68 -3.37 116.57 112.27 1lxf h LYS 86 Ca -0.01 -0.02 -0.52 0.00 -1.87 0.00 0.00 60.65 58.23 1lxf h LYS 86 Cb 0.08 -0.08 -0.37 0.00 0.08 0.00 0.00 32.23 31.94 1lxf h LYS 86 CO 0.02 0.24 -0.80 -0.51 -0.57 0.00 0.00 179.45 177.83 1lxf s ASP 87 N -5.42 2.59 1.08 0.86 1.01 -1.03 -5.12 116.67 110.63 1lxf s ASP 87 Ca -0.13 -1.90 -0.16 0.00 0.71 0.00 0.00 52.55 51.07 1lxf s ASP 87 Cb 0.12 -0.15 0.11 0.00 1.01 0.00 0.00 42.92 44.02 1lxf s ASP 87 CO 0.72 -0.32 0.29 -0.90 0.21 0.00 0.00 175.17 175.18 1lxf n ASP 88 N 4.27 -2.10 0.00 0.27 5.68 -0.85 -4.17 116.55 119.66 1lxf n ASP 88 Ca 0.09 0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.40 1lxf n ASP 88 Cb 0.40 -1.09 0.00 0.00 -1.14 0.00 0.00 41.12 39.29 1lxf n ASP 88 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33