#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 5.62 0.22 7.83 8.00 -1.26 -4.77 116.55 132.19 1lxf n ASP 2 Ca 0.00 -3.53 0.10 0.00 0.71 0.00 0.00 54.79 52.08 1lxf n ASP 2 Cb 0.00 -0.98 0.36 0.00 -0.02 0.00 0.00 41.12 40.48 1lxf n ASP 2 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 1lxf h ASP 3 N 4.46 0.00 -0.24 -2.24 2.03 -2.07 -3.07 116.42 115.29 1lxf h ASP 3 Ca 0.26 0.00 0.07 0.00 -0.73 0.00 0.00 57.03 56.63 1lxf h ASP 3 Cb 0.55 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.04 1lxf h ASP 3 CO 1.09 0.20 0.32 0.16 -1.03 0.00 0.00 179.24 179.98 1lxf h ILE 4 N 0.00 0.33 0.07 4.15 -2.65 -2.03 0.44 117.51 117.81 1lxf h ILE 4 Ca -0.00 0.00 -0.32 0.00 1.03 0.00 0.00 64.86 65.57 1lxf h ILE 4 Cb 0.88 0.73 -0.03 0.00 -2.05 0.00 0.00 36.82 36.35 1lxf h ILE 4 CO 0.03 0.00 -1.79 1.88 0.03 0.00 0.00 178.15 178.29 1lxf h TYR 5 N 0.00 0.26 -1.06 0.16 0.05 -1.95 -3.35 116.97 111.07 1lxf h TYR 5 Ca 0.12 -0.19 0.33 0.00 0.05 0.00 0.00 58.73 59.04 1lxf h TYR 5 Cb 0.76 -0.01 -0.14 0.00 1.01 0.00 0.00 36.73 38.36 1lxf h TYR 5 CO 0.00 1.37 0.64 0.87 -1.05 0.00 0.00 178.16 179.99 1lxf h LYS 6 N 0.04 0.29 0.57 4.88 1.79 -1.00 0.60 116.57 123.74 1lxf h LYS 6 Ca -0.33 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.09 1lxf h LYS 6 Cb 2.02 -0.07 0.01 0.00 -1.58 0.00 0.00 32.23 32.61 1lxf h LYS 6 CO 0.10 0.19 -0.27 0.00 -1.08 0.00 0.00 179.45 178.38 1lxf h ALA 7 N 1.77 -0.77 -0.68 3.86 0.00 -1.68 0.14 119.26 121.90 1lxf h ALA 7 Ca 0.73 -0.19 0.16 0.00 0.00 0.00 0.00 54.91 55.61 1lxf h ALA 7 Cb 1.80 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 19.85 1lxf h ALA 7 CO -0.52 -0.75 0.47 0.00 0.00 0.00 0.00 179.25 178.44 1lxf h ALA 8 N -0.99 2.34 0.00 0.00 0.00 -1.13 0.66 119.26 120.15 1lxf h ALA 8 Ca -0.08 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1lxf h ALA 8 Cb 0.63 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1lxf h ALA 8 CO 0.13 -0.53 -0.49 0.28 0.00 0.00 0.00 179.25 178.63 1lxf h VAL 9 N 0.21 0.90 0.00 0.00 2.07 0.22 -3.05 116.25 116.60 1lxf h VAL 9 Ca 0.33 -2.10 -0.05 0.00 0.82 0.00 0.00 66.70 65.70 1lxf h VAL 9 Cb 1.00 2.32 -0.01 0.00 -1.52 0.00 0.00 31.29 33.09 1lxf h VAL 9 CO -0.06 0.48 -0.53 -0.33 0.02 0.00 0.00 177.57 177.15 1lxf h GLU 10 N 0.00 0.00 0.30 1.57 4.39 0.30 -3.32 114.58 117.82 1lxf h GLU 10 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1lxf h GLU 10 Cb 1.28 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.92 1lxf h GLU 10 CO 0.06 0.18 -0.25 1.96 -1.16 0.00 0.00 179.01 179.80 1lxf h GLN 11 N 0.00 -0.55 -6.32 2.33 4.20 -0.24 -3.43 115.11 111.10 1lxf h GLN 11 Ca -0.02 0.04 -0.60 0.00 0.06 0.00 0.00 58.65 58.13 1lxf h GLN 11 Cb 1.18 0.12 0.16 0.00 0.30 0.00 0.00 27.48 29.25 1lxf h GLN 11 CO 0.02 -0.37 -0.54 1.28 -0.67 0.00 0.00 178.83 178.56 1lxf n LEU 12 N -5.38 -0.44 -4.93 1.46 4.77 -1.24 -4.96 117.00 106.29 1lxf n LEU 12 Ca -0.09 0.81 -0.25 0.00 -0.03 0.00 0.00 56.01 56.44 1lxf n LEU 12 Cb 0.29 -1.08 -0.01 0.00 -2.33 0.00 0.00 43.42 40.28 1lxf n LEU 12 CO 0.31 -3.29 0.22 0.42 -1.33 0.00 0.00 177.39 173.72 1lxf s THR 13 N -1.65 5.06 0.60 -5.08 -4.23 -1.26 -4.93 115.64 104.15 1lxf s THR 13 Ca 0.64 -0.25 0.28 0.00 -1.18 0.00 0.00 61.69 61.19 1lxf s THR 13 Cb -0.53 -3.83 0.38 0.00 1.34 0.00 0.00 72.50 69.85 1lxf s THR 13 CO 0.58 -0.55 1.73 1.05 -0.54 0.00 0.00 174.62 176.89 1lxf h GLU 14 N 0.87 0.00 0.37 3.99 4.11 -1.95 -1.60 114.58 120.37 1lxf h GLU 14 Ca -0.49 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.92 1lxf h GLU 14 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1lxf h GLU 14 CO 0.62 0.00 -0.18 0.93 0.07 0.00 0.00 179.01 180.45 1lxf h GLU 15 N 0.00 -0.48 -0.73 1.06 5.08 -1.99 0.32 114.58 117.84 1lxf h GLU 15 Ca 0.28 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.75 1lxf h GLU 15 Cb 1.64 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 30.94 1lxf h GLU 15 CO -0.00 -0.32 0.41 0.37 -1.00 0.00 0.00 179.01 178.46 1lxf h GLN 16 N -0.50 0.70 0.34 2.33 5.75 -1.71 -2.15 115.11 119.87 1lxf h GLN 16 Ca -0.05 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.41 1lxf h GLN 16 Cb 0.39 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.75 1lxf h GLN 16 CO 0.08 0.46 -0.44 -0.22 -2.65 0.00 0.00 178.83 176.06 1lxf h LYS 17 N 0.72 -0.79 -0.04 1.69 3.64 -1.30 0.18 116.57 120.67 1lxf h LYS 17 Ca 0.34 0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.78 1lxf h LYS 17 Cb 0.26 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 1lxf h LYS 17 CO -0.21 -0.53 -0.07 -0.91 -2.27 0.00 0.00 179.45 175.46 1lxf h ASN 18 N -0.82 -0.22 -1.15 4.20 2.35 0.09 0.25 115.58 120.28 1lxf h ASN 18 Ca -0.02 0.03 0.33 0.00 -0.55 0.00 0.00 56.30 56.08 1lxf h ASN 18 Cb 0.76 0.09 -0.06 0.00 0.05 0.00 0.00 38.32 39.16 1lxf h ASN 18 CO -0.12 -0.05 0.82 1.05 -1.65 0.00 0.00 177.43 177.47 1lxf h GLU 19 N -0.05 0.06 -0.46 0.81 4.11 -1.34 0.94 114.58 118.65 1lxf h GLU 19 Ca 0.01 -0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 1lxf h GLU 19 Cb 0.07 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1lxf h GLU 19 CO -0.07 0.04 0.08 0.35 0.07 0.00 0.00 179.01 179.48 1lxf h PHE 20 N 0.06 0.73 0.00 2.06 3.04 0.26 -1.86 116.94 121.23 1lxf h PHE 20 Ca 0.57 -0.07 -0.09 0.00 3.98 0.00 0.00 57.97 62.35 1lxf h PHE 20 Cb 2.13 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 40.41 1lxf h PHE 20 CO -0.00 0.64 -0.44 0.87 -2.02 0.00 0.00 178.31 177.36 1lxf h LYS 21 N 0.69 0.00 0.12 1.11 1.57 0.23 -3.08 116.57 117.21 1lxf h LYS 21 Ca 0.15 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1lxf h LYS 21 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1lxf h LYS 21 CO 0.00 0.44 -0.06 0.00 -0.57 0.00 0.00 179.45 179.27 1lxf h ALA 22 N 1.56 -0.16 0.00 3.86 0.00 -0.82 -1.32 119.26 122.39 1lxf h ALA 22 Ca -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1lxf h ALA 22 Cb 1.01 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1lxf h ALA 22 CO 0.06 -0.59 -0.06 0.00 0.00 0.00 0.00 179.25 178.66 1lxf h ALA 23 N 0.71 1.46 -0.32 0.00 0.00 -1.52 -0.45 119.26 119.15 1lxf h ALA 23 Ca -0.02 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1lxf h ALA 23 Cb 0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1lxf h ALA 23 CO 0.03 0.07 -0.01 0.74 0.00 0.00 0.00 179.25 180.08 1lxf h PHE 24 N 0.00 0.50 0.00 0.00 0.04 -1.16 0.32 116.94 116.64 1lxf h PHE 24 Ca -0.00 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.72 1lxf h PHE 24 Cb 0.15 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1lxf h PHE 24 CO 0.00 0.50 0.00 -0.25 -0.60 0.00 0.00 178.31 177.96 1lxf n ASP 25 N -4.29 0.00 -0.09 2.17 9.92 -0.18 -2.04 116.55 122.05 1lxf n ASP 25 Ca 0.01 -0.04 -0.13 0.00 -0.53 0.00 0.00 54.79 54.11 1lxf n ASP 25 Cb 0.24 -0.28 -0.08 0.00 -0.64 0.00 0.00 41.12 40.36 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 -1.28 0.97 -0.26 0.53 2.08 0.00 -3.17 119.36 118.23 1lxf n ILE 26 Ca 0.10 -0.35 -0.04 0.00 0.56 0.00 0.00 62.75 63.02 1lxf n ILE 26 Cb 0.17 -1.20 0.07 0.00 -0.75 0.00 0.00 39.64 37.93 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 -0.10 0.88 -0.43 1.39 0.04 -0.40 -2.73 116.94 115.58 1lxf h PHE 27 Ca -0.39 0.02 -0.28 0.00 2.80 0.00 0.00 57.97 60.12 1lxf h PHE 27 Cb 1.56 -0.29 -0.19 0.00 2.20 0.00 0.00 35.95 39.22 1lxf h PHE 27 CO 0.01 0.53 -0.36 1.33 -0.60 0.00 0.00 178.31 179.21 1lxf n VAL 28 N -4.62 2.53 0.24 -0.55 0.24 -0.86 -4.32 118.33 110.99 1lxf n VAL 28 Ca 0.07 -3.37 0.06 0.00 -2.04 0.00 0.00 64.34 59.06 1lxf n VAL 28 Cb 0.05 -0.62 0.28 0.00 -1.47 0.00 0.00 33.84 32.09 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 -0.98 0.21 -2.57 1.34 -0.00 -1.03 -2.17 117.00 111.81 1lxf n LEU 29 Ca 0.35 0.58 -0.01 0.00 -0.00 0.00 0.00 56.01 56.92 1lxf n LEU 29 Cb 0.89 -0.58 0.05 0.00 -0.00 0.00 0.00 43.42 43.78 1lxf n LEU 29 CO 0.24 -0.52 0.02 0.61 -0.00 0.00 0.00 177.39 177.73 1lxf n GLY 30 N -0.78 2.10 3.58 1.47 0.00 -1.26 -5.03 105.19 105.27 1lxf n GLY 30 Ca 0.01 -1.17 -0.24 0.00 0.00 0.00 0.00 46.02 44.62 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 -3.28 3.04 0.19 4.61 0.00 -0.92 -5.04 121.76 120.36 1lxf s ALA 31 Ca 0.30 -1.88 -0.10 0.00 0.00 0.00 0.00 51.96 50.27 1lxf s ALA 31 Cb 0.34 -0.40 0.12 0.00 0.00 0.00 0.00 23.12 23.18 1lxf s ALA 31 CO -0.05 0.17 1.78 1.49 0.00 0.00 0.00 175.76 179.15 1lxf h GLU 32 N 1.98 1.01 0.00 0.00 4.81 -1.91 -3.45 114.58 117.02 1lxf h GLU 32 Ca -0.42 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 1lxf h GLU 32 Cb 1.25 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1lxf h GLU 32 CO 0.64 0.80 0.00 -0.40 -0.73 0.00 0.00 179.01 179.32 1lxf n ASP 33 N -4.43 0.00 -1.64 1.04 5.75 -1.26 -5.03 116.55 110.98 1lxf n ASP 33 Ca 0.06 0.00 0.03 0.00 -0.01 0.00 0.00 54.79 54.86 1lxf n ASP 33 Cb 0.13 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.24 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 1.52 1.07 3.69 6.12 0.00 -1.26 -4.95 105.19 111.39 1lxf n GLY 34 Ca 0.00 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 1lxf n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lxf n ILE 36 N 4.44 4.76 -0.65 0.00 5.41 0.37 -4.52 119.36 129.17 1lxf n ILE 36 Ca 0.09 -5.64 -0.31 0.00 1.00 0.00 0.00 62.75 57.89 1lxf n ILE 36 Cb 0.48 -2.29 0.18 0.00 -0.71 0.00 0.00 39.64 37.30 1lxf n ILE 36 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1lxf n SER 37 N 1.87 0.03 -0.32 4.38 2.88 -1.26 -3.80 113.62 117.40 1lxf n SER 37 Ca 0.25 0.34 0.07 0.00 -1.33 0.00 0.00 58.87 58.21 1lxf n SER 37 Cb 0.36 -1.45 0.27 0.00 -0.75 0.00 0.00 64.21 62.65 1lxf n SER 37 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1lxf h THR 38 N -2.01 0.94 0.07 2.46 1.35 -1.93 -0.09 112.91 113.71 1lxf h THR 38 Ca -0.45 -0.32 -0.19 0.00 -0.55 0.00 0.00 66.41 64.89 1lxf h THR 38 Cb 1.28 -0.08 0.02 0.00 -1.73 0.00 0.00 68.15 67.64 1lxf h THR 38 CO 0.42 0.17 -0.80 0.11 -0.25 0.00 0.00 175.52 175.17 1lxf h LYS 39 N 0.93 0.43 0.00 4.72 1.57 -1.90 -3.07 116.57 119.25 1lxf h LYS 39 Ca 0.46 -0.54 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1lxf h LYS 39 Cb 0.47 0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1lxf h LYS 39 CO -0.22 1.20 0.04 0.93 -0.57 0.00 0.00 179.45 180.84 1lxf h GLU 40 N -0.10 0.00 0.00 3.15 4.39 -1.66 -2.52 114.58 117.84 1lxf h GLU 40 Ca -0.12 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 1lxf h GLU 40 Cb 1.54 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.18 1lxf h GLU 40 CO 0.15 0.00 -0.10 1.25 -1.16 0.00 0.00 179.01 179.15 1lxf h LEU 41 N 0.00 0.00 -0.86 1.33 5.85 -1.00 -3.36 115.31 117.27 1lxf h LEU 41 Ca 0.00 -0.48 0.22 0.00 0.84 0.00 0.00 57.88 58.47 1lxf h LEU 41 Cb 0.09 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 40.97 1lxf h LEU 41 CO 0.00 0.80 0.10 1.23 -0.34 0.00 0.00 178.44 180.23 1lxf h GLY 42 N -1.00 1.15 -0.49 3.75 0.00 -1.36 0.59 103.07 105.71 1lxf h GLY 42 Ca -0.02 0.07 0.33 0.00 0.00 0.00 0.00 47.33 47.70 1lxf h GLY 42 CO -0.01 -0.38 0.74 1.70 0.00 0.00 0.00 176.54 178.59 1lxf h LYS 43 N 0.12 0.25 0.17 4.80 3.64 -1.66 0.22 116.57 124.11 1lxf h LYS 43 Ca 0.52 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.87 1lxf h LYS 43 Cb 1.01 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1lxf h LYS 43 CO -0.73 0.17 -0.08 0.28 -2.27 0.00 0.00 179.45 176.82 1lxf h VAL 44 N 0.26 0.05 -1.24 2.00 2.07 0.02 -3.12 116.25 116.28 1lxf h VAL 44 Ca 0.67 -0.86 0.36 0.00 0.82 0.00 0.00 66.70 67.69 1lxf h VAL 44 Cb 1.92 0.09 -0.07 0.00 -1.52 0.00 0.00 31.29 31.71 1lxf h VAL 44 CO -0.32 0.01 0.86 0.24 0.02 0.00 0.00 177.57 178.39 1lxf h MET 45 N -1.06 0.11 -0.45 1.57 2.86 -0.95 1.16 114.93 118.17 1lxf h MET 45 Ca -0.02 -0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.51 1lxf h MET 45 Cb 0.20 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 1lxf h MET 45 CO 0.04 0.07 -0.12 0.00 1.06 0.00 0.00 176.91 177.96 1lxf h ARG 46 N 0.11 0.82 0.00 1.72 3.08 0.18 0.28 114.38 120.58 1lxf h ARG 46 Ca 0.64 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 60.40 1lxf h ARG 46 Cb 2.26 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 32.24 1lxf h ARG 46 CO -0.13 0.90 0.00 -1.33 -1.07 0.00 0.00 179.97 178.34 1lxf n MET 47 N -4.15 0.51 -0.02 0.04 2.81 0.39 -2.56 117.12 114.13 1lxf n MET 47 Ca 0.01 0.04 0.07 0.00 -1.81 0.00 0.00 57.70 56.01 1lxf n MET 47 Cb 0.38 -1.50 -0.15 0.00 -0.71 0.00 0.00 33.22 31.23 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 -1.18 0.00 0.00 4.03 4.32 -0.55 -4.97 117.00 118.65 1lxf n LEU 48 Ca 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.13 1lxf n LEU 48 Cb 0.16 0.08 0.00 0.00 -1.62 0.00 0.00 43.42 42.03 1lxf n LEU 48 CO 0.17 0.08 0.00 0.61 -1.22 0.00 0.00 177.39 177.03 1lxf n GLY 49 N 1.44 1.55 2.91 -0.72 0.00 -0.72 -5.10 105.19 104.56 1lxf n GLY 49 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 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 1.24 -0.79 1.61 -0.21 0.89 -4.99 119.66 117.41 1lxf s GLN 50 Ca 0.00 -0.19 0.01 0.00 0.02 0.00 0.00 55.36 55.19 1lxf s GLN 50 Cb 0.00 -1.26 0.19 0.00 1.00 0.00 0.00 33.01 32.95 1lxf s GLN 50 CO 0.00 -0.16 0.64 1.21 -2.12 0.00 0.00 175.29 174.86 1lxf s ASN 51 N 1.31 5.46 0.98 5.90 3.04 -1.26 -0.61 114.94 129.76 1lxf s ASN 51 Ca -0.04 -3.70 -0.04 0.00 0.04 0.00 0.00 52.86 49.12 1lxf s ASN 51 Cb -0.14 -1.80 0.06 0.00 -1.54 0.00 0.00 41.25 37.84 1lxf s ASN 51 CO -0.03 -0.16 0.37 -0.81 -3.04 0.00 0.00 177.10 173.43 1lxf n PRO 52 N 2.29 -0.34 -4.09 0.43 -0.04 -1.26 -5.07 135.00 126.92 1lxf n PRO 52 Ca 0.19 -0.58 -0.24 0.00 -0.04 0.00 0.00 63.50 62.84 1lxf n PRO 52 Cb 0.36 -0.38 -0.07 0.00 -0.04 0.00 0.00 33.50 33.38 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 -1.78 2.56 -1.00 0.52 -4.23 -1.26 -5.01 115.64 105.44 1lxf s THR 53 Ca 0.21 -1.69 0.26 0.00 -1.18 0.00 0.00 61.69 59.29 1lxf s THR 53 Cb -0.01 -2.98 0.22 0.00 1.34 0.00 0.00 72.50 71.08 1lxf s THR 53 CO 0.15 -0.07 1.83 -0.81 -0.54 0.00 0.00 174.62 175.18 1lxf n PRO 54 N -1.22 0.00 0.02 3.99 -0.04 -1.26 -2.83 135.00 133.67 1lxf n PRO 54 Ca -0.01 0.05 -0.06 0.00 -0.04 0.00 0.00 63.50 63.44 1lxf n PRO 54 Cb 0.63 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.47 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 0.00 0.00 0.54 4.39 -1.95 -3.24 114.58 114.32 1lxf h GLU 55 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1lxf h GLU 55 Cb 0.44 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1lxf h GLU 55 CO 0.00 0.64 -0.15 0.93 -1.16 0.00 0.00 179.01 179.27 1lxf h GLU 56 N 0.00 0.00 -0.77 2.33 4.39 -1.96 -3.37 114.58 115.21 1lxf h GLU 56 Ca -0.16 0.00 0.17 0.00 0.34 0.00 0.00 59.36 59.71 1lxf h GLU 56 Cb 1.85 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 30.36 1lxf h GLU 56 CO 0.09 0.11 -0.05 -0.07 -1.16 0.00 0.00 179.01 177.94 1lxf h LEU 57 N -1.00 -0.45 -0.99 1.33 3.38 -1.72 0.42 115.31 116.28 1lxf h LEU 57 Ca -0.01 0.21 0.37 0.00 0.09 0.00 0.00 57.88 58.54 1lxf h LEU 57 Cb 0.23 0.39 -0.18 0.00 0.09 0.00 0.00 40.66 41.19 1lxf h LEU 57 CO -0.01 -0.21 0.43 -0.61 0.09 0.00 0.00 178.44 178.13 1lxf h GLN 58 N 0.07 0.04 -0.88 1.13 5.75 -1.72 2.16 115.11 121.67 1lxf h GLN 58 Ca 0.41 -0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.93 1lxf h GLN 58 Cb 0.71 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.20 1lxf h GLN 58 CO -0.71 0.03 0.58 0.93 -2.65 0.00 0.00 178.83 177.01 1lxf h GLU 59 N 0.05 1.13 0.00 1.69 5.08 -0.30 0.18 114.58 122.41 1lxf h GLU 59 Ca 0.78 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 59.07 1lxf h GLU 59 Cb 1.93 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.93 1lxf h GLU 59 CO -0.78 0.75 0.00 0.52 -1.00 0.00 0.00 179.01 178.50 1lxf h MET 60 N 1.16 0.00 0.06 2.33 2.86 0.35 -2.48 114.93 119.22 1lxf h MET 60 Ca 0.33 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.66 1lxf h MET 60 Cb -0.09 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 1lxf h MET 60 CO -0.09 0.00 -1.72 0.82 1.06 0.00 0.00 176.91 176.99 1lxf h ILE 61 N 0.00 0.89 -0.11 -1.22 1.08 0.52 -3.32 117.51 115.36 1lxf h ILE 61 Ca 0.00 -2.65 0.03 0.00 -0.39 0.00 0.00 64.86 61.85 1lxf h ILE 61 Cb 0.34 2.54 -0.00 0.00 -3.07 0.00 0.00 36.82 36.63 1lxf h ILE 61 CO 0.00 0.70 0.15 -0.78 -0.69 0.00 0.00 178.15 177.53 1lxf h ASP 62 N 0.04 0.00 -0.31 1.72 1.82 -0.57 2.09 116.42 121.21 1lxf h ASP 62 Ca -0.30 0.00 -0.16 0.00 -0.39 0.00 0.00 57.03 56.17 1lxf h ASP 62 Cb 2.01 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 42.01 1lxf h ASP 62 CO 0.10 0.00 -0.44 -0.33 -1.61 0.00 0.00 179.24 176.97 1lxf h GLU 63 N 0.00 0.87 0.01 0.28 5.08 -1.65 -3.30 114.58 115.87 1lxf h GLU 63 Ca 0.05 -0.49 -0.35 0.00 -1.00 0.00 0.00 59.36 57.58 1lxf h GLU 63 Cb 0.35 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.58 1lxf h GLU 63 CO -0.00 1.13 -2.14 1.33 -1.00 0.00 0.00 179.01 178.33 1lxf n VAL 64 N -4.04 1.52 -1.01 3.13 0.24 -0.06 -4.50 118.33 113.61 1lxf n VAL 64 Ca -0.03 -0.78 -0.30 0.00 -2.04 0.00 0.00 64.34 61.20 1lxf n VAL 64 Cb 0.57 -0.92 -0.03 0.00 -1.47 0.00 0.00 33.84 31.99 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 -3.00 6.75 0.10 -1.34 9.92 0.69 -4.41 116.55 125.27 1lxf n ASP 65 Ca -0.29 -2.44 0.13 0.00 -0.53 0.00 0.00 54.79 51.66 1lxf n ASP 65 Cb 1.09 -1.32 0.43 0.00 -0.64 0.00 0.00 41.12 40.68 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 3.84 0.24 0.00 -1.24 1.02 -1.26 -2.84 120.64 120.40 1lxf n GLU 66 Ca 0.61 0.20 0.12 0.00 -0.02 0.00 0.00 57.16 58.07 1lxf n GLU 66 Cb 0.20 -1.78 0.22 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 -2.19 2.35 -1.27 1.62 5.75 -1.26 -4.93 116.55 116.61 1lxf n ASP 67 Ca 0.06 -1.74 -0.15 0.00 -0.01 0.00 0.00 54.79 52.95 1lxf n ASP 67 Cb 0.41 0.07 -0.05 0.00 -1.03 0.00 0.00 41.12 40.52 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 1.31 1.14 0.26 6.12 0.00 -1.13 -4.85 105.19 108.04 1lxf n GLY 68 Ca 0.15 -0.30 0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 0.00 1.61 4.64 -1.92 -3.46 113.55 114.42 1lxf h SER 69 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1lxf h SER 69 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1lxf h SER 69 CO 0.44 0.12 0.00 0.61 -0.87 0.00 0.00 176.83 177.13 1lxf n GLY 70 N -0.71 0.56 3.57 -0.77 0.00 -1.26 -5.01 105.19 101.57 1lxf n GLY 70 Ca -0.02 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 0.00 -0.20 2.61 -4.23 -1.26 -4.76 115.64 105.80 1lxf s THR 71 Ca 0.00 -0.42 -0.02 0.00 -1.18 0.00 0.00 61.69 60.08 1lxf s THR 71 Cb 0.00 -1.39 -0.00 0.00 1.34 0.00 0.00 72.50 72.45 1lxf s THR 71 CO 0.00 -0.02 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.27 1lxf s VAL 72 N -3.82 2.93 0.02 2.29 1.01 -1.25 -4.71 120.40 116.88 1lxf s VAL 72 Ca 0.05 -0.65 -0.00 0.00 0.00 0.00 0.00 61.98 61.38 1lxf s VAL 72 Cb -0.03 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 34.06 1lxf s VAL 72 CO -0.05 0.47 0.03 -0.90 0.00 0.00 0.00 175.10 174.65 1lxf n ASP 73 N 4.58 0.01 0.00 3.32 5.68 -1.26 0.14 116.55 129.02 1lxf n ASP 73 Ca -0.19 -1.01 0.08 0.00 -0.50 0.00 0.00 54.79 53.17 1lxf n ASP 73 Cb 0.51 -0.02 0.48 0.00 -1.14 0.00 0.00 41.12 40.94 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 -1.89 0.00 0.00 2.11 7.35 -1.24 -3.42 117.46 120.37 1lxf n PHE 74 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1lxf n PHE 74 Cb 0.01 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.84 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 -0.75 0.00 -0.51 -2.13 9.92 -1.26 -4.48 116.55 117.34 1lxf n ASP 75 Ca 0.12 0.00 0.42 0.00 -0.53 0.00 0.00 54.79 54.80 1lxf n ASP 75 Cb 0.06 -0.14 0.73 0.00 -0.64 0.00 0.00 41.12 41.12 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 0.05 0.00 -1.24 4.11 -1.93 -2.25 114.58 113.32 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 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1lxf h GLU 76 CO 0.00 0.03 0.00 0.34 0.07 0.00 0.00 179.01 179.45 1lxf n PHE 77 N -4.33 0.00 -0.36 2.06 7.35 -1.22 -1.66 117.46 119.31 1lxf n PHE 77 Ca 0.37 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 57.02 1lxf n PHE 77 Cb 1.58 -0.06 -0.01 0.00 0.35 0.00 0.00 39.48 41.35 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 -0.82 -0.72 -0.15 -2.13 4.77 -0.87 -0.90 117.00 116.17 1lxf n LEU 78 Ca 0.00 1.58 -0.04 0.00 -0.03 0.00 0.00 56.01 57.52 1lxf n LEU 78 Cb 0.00 -0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 40.75 1lxf n LEU 78 CO 0.00 -1.36 0.46 0.52 -1.33 0.00 0.00 177.39 175.68 1lxf n VAL 79 N -5.24 -0.25 -0.28 4.08 0.31 -1.05 -0.41 118.33 115.50 1lxf n VAL 79 Ca 0.06 1.75 -0.04 0.00 -0.01 0.00 0.00 64.34 66.10 1lxf n VAL 79 Cb 0.31 -2.25 0.01 0.00 -0.91 0.00 0.00 33.84 31.00 1lxf n VAL 79 CO 0.00 0.00 0.00 -0.03 -1.32 0.00 0.00 176.83 175.48 1lxf h MET 80 N 0.00 -0.11 -1.19 5.55 1.85 -0.08 1.21 114.93 122.16 1lxf h MET 80 Ca 0.06 0.01 0.34 0.00 -0.61 0.00 0.00 59.70 59.49 1lxf h MET 80 Cb 0.15 0.02 -0.08 0.00 0.43 0.00 0.00 31.60 32.13 1lxf h MET 80 CO -0.34 -0.07 0.82 0.52 -0.40 0.00 0.00 176.91 177.43 1lxf h MET 81 N -0.11 0.15 0.00 0.39 2.07 -0.23 1.30 114.93 118.50 1lxf h MET 81 Ca 0.26 -0.01 -0.15 0.00 -2.07 0.00 0.00 59.70 57.73 1lxf h MET 81 Cb 0.56 -0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 30.24 1lxf h MET 81 CO -0.80 0.10 -0.98 0.28 1.07 0.00 0.00 176.91 176.58 1lxf h VAL 82 N 0.15 0.81 0.04 -2.22 2.07 0.26 -2.60 116.25 114.77 1lxf h VAL 82 Ca 0.62 -2.28 -0.24 0.00 0.82 0.00 0.00 66.70 65.62 1lxf h VAL 82 Cb 2.11 2.31 -0.02 0.00 -1.52 0.00 0.00 31.29 34.17 1lxf h VAL 82 CO -0.16 0.46 -1.12 -0.09 0.02 0.00 0.00 177.57 176.68 1lxf h ARG 83 N 0.00 0.09 0.01 1.57 2.43 0.42 -3.06 114.38 115.84 1lxf h ARG 83 Ca -0.08 -0.16 -0.23 0.00 -0.81 0.00 0.00 59.98 58.70 1lxf h ARG 83 Cb 1.53 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 31.12 1lxf h ARG 83 CO 0.07 1.05 -1.11 0.00 -1.51 0.00 0.00 179.97 178.47 1lxf h MET 85 N 0.01 0.79 0.00 0.00 2.86 -1.53 0.82 114.93 117.88 1lxf h MET 85 Ca -0.06 -0.32 -0.11 0.00 -2.06 0.00 0.00 59.70 57.16 1lxf h MET 85 Cb 1.82 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 33.43 1lxf h MET 85 CO 0.13 0.93 -0.50 0.87 1.06 0.00 0.00 176.91 179.40 1lxf h LYS 86 N 0.69 0.00 -1.11 1.72 1.57 -1.60 -3.39 116.57 114.46 1lxf h LYS 86 Ca 0.10 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.60 1lxf h LYS 86 Cb 0.73 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 32.82 1lxf h LYS 86 CO 0.06 0.50 -0.63 -0.25 -0.57 0.00 0.00 179.45 178.56 1lxf n ASP 87 N -3.61 -2.53 -4.76 0.86 8.00 -1.03 -5.12 116.55 108.36 1lxf n ASP 87 Ca -0.00 -2.89 -0.41 0.00 0.71 0.00 0.00 54.79 52.20 1lxf n ASP 87 Cb 0.58 1.17 -0.01 0.00 -0.02 0.00 0.00 41.12 42.84 1lxf n ASP 87 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 1lxf s ASP 88 N 0.01 6.55 0.00 -2.24 -4.77 0.28 -4.61 116.67 111.89 1lxf s ASP 88 Ca 0.31 2.83 0.28 0.00 -3.30 0.00 0.00 52.55 52.67 1lxf s ASP 88 Cb 0.07 -2.65 1.01 0.00 -1.09 0.00 0.00 42.92 40.26 1lxf s ASP 88 CO -0.13 -0.74 1.72 -1.20 0.70 0.00 0.00 175.17 175.53