#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 0.25 0.04 7.83 5.75 -1.26 -4.86 116.55 124.30 1lxf n ASP 2 Ca 0.00 -1.90 -0.04 0.00 -0.01 0.00 0.00 54.79 52.83 1lxf n ASP 2 Cb 0.00 -0.12 -0.09 0.00 -1.03 0.00 0.00 41.12 39.88 1lxf n ASP 2 CO 0.00 0.00 0.00 -2.24 -0.11 0.00 0.00 177.20 174.85 1lxf h ASP 3 N 0.47 0.00 -0.71 -1.12 3.04 -2.07 -3.31 116.42 112.73 1lxf h ASP 3 Ca -0.24 0.00 0.20 0.00 -3.24 0.00 0.00 57.03 53.76 1lxf h ASP 3 Cb 1.60 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 39.86 1lxf h ASP 3 CO -0.02 0.83 0.68 0.16 -2.04 0.00 0.00 179.24 178.85 1lxf h ILE 4 N 0.00 0.32 0.07 4.15 -2.65 -2.02 0.49 117.51 117.87 1lxf h ILE 4 Ca -0.12 0.00 -0.16 0.00 1.03 0.00 0.00 64.86 65.61 1lxf h ILE 4 Cb 1.74 0.48 0.00 0.00 -2.05 0.00 0.00 36.82 36.99 1lxf h ILE 4 CO 0.09 0.00 -0.80 1.88 0.03 0.00 0.00 178.15 179.35 1lxf h TYR 5 N 0.00 0.27 -0.44 0.16 -1.99 -1.97 -3.28 116.97 109.72 1lxf h TYR 5 Ca 0.34 -0.20 0.04 0.00 2.00 0.00 0.00 58.73 60.91 1lxf h TYR 5 Cb 1.69 -0.01 -0.05 0.00 2.00 0.00 0.00 36.73 40.35 1lxf h TYR 5 CO 0.00 1.31 -0.26 1.63 -0.00 0.00 0.00 178.16 180.84 1lxf n LYS 6 N -4.26 -0.19 -0.27 4.88 4.76 0.15 0.87 118.16 124.09 1lxf n LYS 6 Ca -0.18 1.22 0.08 0.00 -2.87 0.00 0.00 58.31 56.56 1lxf n LYS 6 Cb 0.72 -1.81 0.22 0.00 -1.84 0.00 0.00 35.03 32.31 1lxf n LYS 6 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1lxf h ALA 7 N -0.34 1.04 -0.27 7.82 0.00 -1.70 0.41 119.26 126.22 1lxf h ALA 7 Ca 0.07 0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.20 1lxf h ALA 7 Cb 0.18 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1lxf h ALA 7 CO -0.41 -0.40 0.15 0.00 0.00 0.00 0.00 179.25 178.58 1lxf h ALA 8 N 1.70 0.33 0.00 0.00 0.00 -0.15 0.65 119.26 121.79 1lxf h ALA 8 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1lxf h ALA 8 Cb 0.86 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1lxf h ALA 8 CO -0.60 -0.24 0.00 0.28 0.00 0.00 0.00 179.25 178.69 1lxf h VAL 9 N 0.31 0.00 0.00 0.00 2.07 0.37 0.30 116.25 119.29 1lxf h VAL 9 Ca 0.11 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1lxf h VAL 9 Cb 0.01 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1lxf h VAL 9 CO -0.06 0.00 -0.52 -0.62 0.02 0.00 0.00 177.57 176.39 1lxf n GLU 10 N -2.87 0.29 0.03 1.57 -0.58 0.11 -3.86 120.64 115.33 1lxf n GLU 10 Ca -0.01 0.11 -0.19 0.00 -0.42 0.00 0.00 57.16 56.66 1lxf n GLU 10 Cb 0.19 -1.71 -0.11 0.00 -0.57 0.00 0.00 31.44 29.23 1lxf n GLU 10 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1lxf h GLN 11 N 0.00 0.51 -6.05 3.49 1.08 0.93 -3.45 115.11 111.63 1lxf h GLN 11 Ca 0.00 -0.58 -0.81 0.00 -1.45 0.00 0.00 58.65 55.82 1lxf h GLN 11 Cb 0.75 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 28.35 1lxf h GLN 11 CO 0.00 1.21 0.88 1.28 -0.95 0.00 0.00 178.83 181.24 1lxf n LEU 12 N -4.07 1.62 -4.71 1.46 7.99 -1.17 -4.89 117.00 113.23 1lxf n LEU 12 Ca -0.11 1.05 -0.30 0.00 -0.01 0.00 0.00 56.01 56.64 1lxf n LEU 12 Cb 0.77 -0.99 0.14 0.00 -0.11 0.00 0.00 43.42 43.24 1lxf n LEU 12 CO 0.51 -0.68 0.66 0.42 -1.51 0.00 0.00 177.39 176.79 1lxf s THR 13 N 3.77 2.59 0.20 -5.08 -4.23 -1.26 -4.83 115.64 106.80 1lxf s THR 13 Ca 1.05 0.19 -0.10 0.00 -1.18 0.00 0.00 61.69 61.65 1lxf s THR 13 Cb -1.32 -2.65 0.13 0.00 1.34 0.00 0.00 72.50 70.01 1lxf s THR 13 CO 0.73 -0.25 1.76 -0.08 -0.54 0.00 0.00 174.62 176.24 1lxf h GLU 14 N -1.61 0.45 0.00 3.99 4.81 -1.98 -2.34 114.58 117.90 1lxf h GLU 14 Ca -0.50 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1lxf h GLU 14 Cb 1.29 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1lxf h GLU 14 CO 0.54 0.30 0.00 0.39 -0.73 0.00 0.00 179.01 179.51 1lxf n GLU 15 N -4.95 0.00 -0.31 1.92 1.02 -1.26 -1.24 120.64 115.82 1lxf n GLU 15 Ca 0.08 0.42 0.26 0.00 -0.02 0.00 0.00 57.16 57.90 1lxf n GLU 15 Cb 0.24 -1.16 0.49 0.00 -0.02 0.00 0.00 31.44 30.99 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 -1.32 -0.06 -0.27 3.49 10.64 -1.20 0.22 117.38 128.87 1lxf n GLN 16 Ca 0.00 1.32 0.01 0.00 -1.83 0.00 0.00 57.00 56.51 1lxf n GLN 16 Cb 0.00 -2.31 0.14 0.00 -0.86 0.00 0.00 30.24 27.21 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 0.74 0.01 2.61 1.63 -0.78 0.93 116.57 121.72 1lxf h LYS 17 Ca 0.75 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 60.50 1lxf h LYS 17 Cb 1.90 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 33.36 1lxf h LYS 17 CO -0.76 0.49 -0.01 -0.91 -3.45 0.00 0.00 179.45 174.82 1lxf h ASN 18 N 0.77 -0.01 -1.42 4.20 2.35 0.42 -0.86 115.58 121.02 1lxf h ASN 18 Ca 0.36 0.00 0.41 0.00 -0.55 0.00 0.00 56.30 56.53 1lxf h ASN 18 Cb 0.29 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.61 1lxf h ASN 18 CO -0.22 -0.01 1.14 1.05 -1.65 0.00 0.00 177.43 177.74 1lxf h GLU 19 N -0.02 0.00 0.29 0.81 4.11 -1.40 0.61 114.58 118.98 1lxf h GLU 19 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 1lxf h GLU 19 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1lxf h GLU 19 CO 0.00 0.00 -0.14 0.74 0.07 0.00 0.00 179.01 179.68 1lxf h PHE 20 N 0.00 -0.36 -1.00 2.06 0.04 -0.71 -3.30 116.94 113.67 1lxf h PHE 20 Ca 0.68 -0.01 0.17 0.00 2.80 0.00 0.00 57.97 61.61 1lxf h PHE 20 Cb 2.95 0.12 -0.17 0.00 2.20 0.00 0.00 35.95 41.05 1lxf h PHE 20 CO 0.00 -0.23 -0.34 1.63 -0.60 0.00 0.00 178.31 178.78 1lxf n LYS 21 N -4.50 -0.18 -0.35 1.51 4.76 0.16 0.11 118.16 119.68 1lxf n LYS 21 Ca -0.05 1.54 0.12 0.00 -2.87 0.00 0.00 58.31 57.05 1lxf n LYS 21 Cb 0.16 -2.29 0.24 0.00 -1.84 0.00 0.00 35.03 31.29 1lxf n LYS 21 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1lxf n ALA 22 N -3.53 0.41 0.02 7.82 0.00 -0.91 0.25 120.51 124.57 1lxf n ALA 22 Ca 0.12 1.07 -0.05 0.00 0.00 0.00 0.00 53.44 54.58 1lxf n ALA 22 Cb 0.44 -0.73 0.15 0.00 0.00 0.00 0.00 19.45 19.31 1lxf n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lxf h ALA 23 N 1.97 0.97 -0.13 0.00 0.00 0.74 -2.29 119.26 120.53 1lxf h ALA 23 Ca 0.56 -0.41 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1lxf h ALA 23 Cb 1.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1lxf h ALA 23 CO -0.96 0.61 0.19 0.74 0.00 0.00 0.00 179.25 179.83 1lxf h PHE 24 N 0.40 0.00 -0.01 0.00 -1.00 0.44 1.12 116.94 117.89 1lxf h PHE 24 Ca 0.04 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.82 1lxf h PHE 24 Cb 0.82 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.38 1lxf h PHE 24 CO 0.03 0.00 -0.03 -0.25 -1.61 0.00 0.00 178.31 176.45 1lxf n ASP 25 N -3.58 0.89 -0.04 2.17 9.92 -0.53 -3.66 116.55 121.72 1lxf n ASP 25 Ca 0.00 -1.19 -0.05 0.00 -0.53 0.00 0.00 54.79 53.02 1lxf n ASP 25 Cb 0.29 -0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.72 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 -0.37 0.52 0.30 0.53 2.08 0.36 -3.08 119.36 119.71 1lxf n ILE 26 Ca 0.19 -0.28 0.15 0.00 0.56 0.00 0.00 62.75 63.38 1lxf n ILE 26 Cb 0.27 -0.82 0.70 0.00 -0.75 0.00 0.00 39.64 39.05 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 0.00 0.00 0.00 1.39 -1.00 -0.85 -3.01 116.94 113.47 1lxf h PHE 27 Ca -0.21 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.45 1lxf h PHE 27 Cb 1.41 0.00 -0.24 0.00 3.61 0.00 0.00 35.95 40.73 1lxf h PHE 27 CO 0.00 0.00 -0.73 1.33 -1.61 0.00 0.00 178.31 177.30 1lxf n VAL 28 N -2.63 0.00 -1.68 -0.55 0.24 -1.24 -4.34 118.33 108.13 1lxf n VAL 28 Ca -0.00 -0.55 -0.46 0.00 -2.04 0.00 0.00 64.34 61.28 1lxf n VAL 28 Cb 0.18 0.74 -0.04 0.00 -1.47 0.00 0.00 33.84 33.25 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 0.28 3.66 0.00 1.34 -0.00 -1.14 0.68 117.00 121.82 1lxf n LEU 29 Ca -0.01 0.96 0.00 0.00 -0.00 0.00 0.00 56.01 56.96 1lxf n LEU 29 Cb 0.94 -1.42 0.00 0.00 -0.00 0.00 0.00 43.42 42.93 1lxf n LEU 29 CO -0.04 0.02 0.00 0.61 -0.00 0.00 0.00 177.39 177.98 1lxf n GLY 30 N 4.41 2.20 0.00 1.47 0.00 -1.26 -5.02 105.19 106.99 1lxf n GLY 30 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.58 0.00 -0.09 4.61 0.00 0.21 -4.95 120.51 119.71 1lxf n ALA 31 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1lxf n ALA 31 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 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 -1.18 0.68 0.00 0.00 2.13 -1.26 -4.97 120.64 116.04 1lxf n GLU 32 Ca 0.00 0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1lxf n GLU 32 Cb 0.00 -1.55 0.00 0.00 0.27 0.00 0.00 31.44 30.16 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 -2.79 0.00 -1.34 4.31 5.68 -1.26 -5.05 116.55 116.10 1lxf n ASP 33 Ca -0.32 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 53.93 1lxf n ASP 33 Cb 1.15 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 41.12 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 0.61 0.56 3.84 6.12 0.00 -1.26 -5.07 105.19 109.99 1lxf n GLY 34 Ca 0.00 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 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 1.29 4.65 -1.88 0.00 5.41 -0.80 -4.41 119.36 123.62 1lxf n ILE 36 Ca -0.09 -5.57 -0.41 0.00 1.00 0.00 0.00 62.75 57.67 1lxf n ILE 36 Cb 0.52 -2.35 -0.01 0.00 -0.71 0.00 0.00 39.64 37.09 1lxf n ILE 36 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1lxf s SER 37 N -0.20 6.45 0.00 4.38 0.15 -1.26 -4.12 113.70 119.10 1lxf s SER 37 Ca 0.31 2.96 -0.01 0.00 0.70 0.00 0.00 55.95 59.92 1lxf s SER 37 Cb -0.03 -2.66 -0.00 0.00 -1.71 0.00 0.00 66.02 61.62 1lxf s SER 37 CO -0.01 -0.80 0.94 0.35 1.20 0.00 0.00 173.24 174.93 1lxf n THR 38 N 0.60 -0.01 -0.28 6.45 -2.24 -1.26 0.17 114.28 117.70 1lxf n THR 38 Ca 0.01 1.42 0.30 0.00 -2.27 0.00 0.00 64.05 63.50 1lxf n THR 38 Cb 0.40 -1.89 0.67 0.00 -2.10 0.00 0.00 70.33 67.41 1lxf n THR 38 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1lxf h LYS 39 N 0.00 0.12 -0.25 -0.78 2.10 -1.91 0.33 116.57 116.19 1lxf h LYS 39 Ca 0.00 -0.01 -0.12 0.00 -2.00 0.00 0.00 60.65 58.53 1lxf h LYS 39 Cb 0.01 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 31.31 1lxf h LYS 39 CO -0.02 0.08 -0.31 1.49 -2.00 0.00 0.00 179.45 178.69 1lxf h GLU 40 N 0.12 0.65 -0.38 0.07 4.22 0.13 -3.16 114.58 116.23 1lxf h GLU 40 Ca 0.53 -0.37 -0.10 0.00 0.08 0.00 0.00 59.36 59.50 1lxf h GLU 40 Cb 1.89 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 31.15 1lxf h GLU 40 CO -0.09 0.98 -0.19 1.25 -2.18 0.00 0.00 179.01 178.78 1lxf h LEU 41 N 0.36 0.72 -1.65 1.64 5.85 0.43 -2.59 115.31 120.07 1lxf h LEU 41 Ca 0.03 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.55 1lxf h LEU 41 Cb 0.89 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1lxf h LEU 41 CO 0.07 0.91 0.50 1.23 -0.34 0.00 0.00 178.44 180.81 1lxf h GLY 42 N 0.98 0.00 0.31 3.75 0.00 -0.96 0.04 103.07 107.19 1lxf h GLY 42 Ca 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 1lxf h GLY 42 CO 0.05 0.00 -0.04 0.50 0.00 0.00 0.00 176.54 177.05 1lxf h LYS 43 N 0.00 -0.11 0.18 4.80 1.79 -1.55 -3.19 116.57 118.48 1lxf h LYS 43 Ca 0.06 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.55 1lxf h LYS 43 Cb 1.06 0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 31.70 1lxf h LYS 43 CO -0.00 0.42 -0.35 0.28 -1.08 0.00 0.00 179.45 178.72 1lxf h VAL 44 N -0.81 0.27 -0.93 0.50 2.07 -1.12 -1.94 116.25 114.29 1lxf h VAL 44 Ca -0.01 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.63 1lxf h VAL 44 Cb 0.59 0.27 -0.13 0.00 -1.52 0.00 0.00 31.29 30.50 1lxf h VAL 44 CO 0.02 0.00 -0.44 0.23 0.02 0.00 0.00 177.57 177.40 1lxf n MET 45 N -5.44 -0.30 -0.25 1.57 2.81 -1.00 0.24 117.12 114.75 1lxf n MET 45 Ca -0.07 1.42 0.11 0.00 -1.81 0.00 0.00 57.70 57.34 1lxf n MET 45 Cb 0.35 -2.09 0.37 0.00 -0.71 0.00 0.00 33.22 31.14 1lxf n MET 45 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1lxf h ARG 46 N 0.00 0.69 0.00 0.03 1.12 0.31 0.20 114.38 116.72 1lxf h ARG 46 Ca 0.25 -0.04 -0.01 0.00 -1.11 0.00 0.00 59.98 59.07 1lxf h ARG 46 Cb 0.48 -0.15 -0.00 0.00 -0.01 0.00 0.00 29.97 30.29 1lxf h ARG 46 CO -0.90 0.45 -0.05 0.52 -3.11 0.00 0.00 179.97 176.89 1lxf h MET 47 N 0.71 0.00 0.01 0.20 2.86 0.38 -1.95 114.93 117.13 1lxf h MET 47 Ca 0.42 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.78 1lxf h MET 47 Cb 0.63 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.24 1lxf h MET 47 CO -0.18 0.05 -1.57 -0.07 1.06 0.00 0.00 176.91 176.20 1lxf h LEU 48 N 0.00 0.02 0.00 1.22 3.38 0.29 -3.48 115.31 116.74 1lxf h LEU 48 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1lxf h LEU 48 Cb 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1lxf h LEU 48 CO 0.01 1.03 0.00 0.61 0.09 0.00 0.00 178.44 180.18 1lxf n GLY 49 N 1.53 0.42 3.78 0.83 0.00 -0.24 -5.12 105.19 106.37 1lxf n GLY 49 Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 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 4.00 -0.67 1.61 -1.52 -0.09 -4.88 119.66 118.10 1lxf s GLN 50 Ca 0.00 -0.03 0.05 0.00 -1.95 0.00 0.00 55.36 53.44 1lxf s GLN 50 Cb 0.00 -3.34 0.20 0.00 -0.22 0.00 0.00 33.01 29.64 1lxf s GLN 50 CO 0.00 0.44 0.59 -1.71 -0.25 0.00 0.00 175.29 174.35 1lxf n ASN 51 N 2.98 3.20 -4.92 5.90 4.05 -1.26 0.22 115.26 125.43 1lxf n ASN 51 Ca -0.15 -3.28 -0.27 0.00 0.45 0.00 0.00 54.58 51.33 1lxf n ASN 51 Cb 0.53 -0.72 0.07 0.00 1.23 0.00 0.00 39.78 40.88 1lxf n ASN 51 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1lxf s PRO 52 N -1.81 2.31 0.59 1.20 0.04 -1.26 -5.03 135.00 131.04 1lxf s PRO 52 Ca 0.31 -0.06 0.09 0.00 0.04 0.00 0.00 61.00 61.37 1lxf s PRO 52 Cb 0.03 -2.12 0.09 0.00 0.04 0.00 0.00 34.50 32.54 1lxf s PRO 52 CO -0.11 -1.22 0.81 0.95 0.04 0.00 0.00 177.00 177.46 1lxf s THR 53 N -3.30 2.13 -0.79 1.26 -4.23 -1.26 -4.89 115.64 104.56 1lxf s THR 53 Ca 0.59 -0.97 0.27 0.00 -1.18 0.00 0.00 61.69 60.40 1lxf s THR 53 Cb -0.11 -2.16 0.28 0.00 1.34 0.00 0.00 72.50 71.85 1lxf s THR 53 CO 0.46 0.00 1.81 -0.81 -0.54 0.00 0.00 174.62 175.55 1lxf n PRO 54 N -2.29 0.20 0.13 3.99 -0.04 -1.26 -2.23 135.00 133.49 1lxf n PRO 54 Ca 0.16 0.17 -0.23 0.00 -0.04 0.00 0.00 63.50 63.55 1lxf n PRO 54 Cb 0.62 -1.73 -0.15 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 0.48 0.00 0.54 4.39 -1.98 -3.17 114.58 114.83 1lxf h GLU 55 Ca 0.00 -0.81 -0.00 0.00 0.34 0.00 0.00 59.36 58.89 1lxf h GLU 55 Cb 0.68 0.30 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 1lxf h GLU 55 CO 0.00 1.39 -0.00 0.93 -1.16 0.00 0.00 179.01 180.16 1lxf h GLU 56 N 0.13 0.00 -0.70 2.33 5.08 -1.96 -3.33 114.58 116.13 1lxf h GLU 56 Ca -0.26 -0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.22 1lxf h GLU 56 Cb 2.13 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 31.26 1lxf h GLU 56 CO 0.25 0.85 -0.33 -0.07 -1.00 0.00 0.00 179.01 178.71 1lxf h LEU 57 N -0.85 -1.16 -0.97 1.33 3.38 -1.60 0.48 115.31 115.92 1lxf h LEU 57 Ca -0.00 0.25 0.24 0.00 0.09 0.00 0.00 57.88 58.45 1lxf h LEU 57 Cb 0.85 0.60 -0.18 0.00 0.09 0.00 0.00 40.66 42.02 1lxf h LEU 57 CO 0.00 -0.29 -0.06 -0.61 0.09 0.00 0.00 178.44 177.56 1lxf h GLN 58 N -0.11 0.01 -0.82 1.13 5.75 -1.65 2.09 115.11 121.52 1lxf h GLN 58 Ca 0.27 -0.00 0.15 0.00 -0.15 0.00 0.00 58.65 58.92 1lxf h GLN 58 Cb 0.56 -0.00 -0.10 0.00 1.07 0.00 0.00 27.48 29.01 1lxf h GLN 58 CO -0.76 0.01 0.39 1.49 -2.65 0.00 0.00 178.83 177.30 1lxf h GLU 59 N 0.01 0.53 0.00 1.69 4.22 -0.15 1.08 114.58 121.96 1lxf h GLU 59 Ca 0.54 -0.03 -0.04 0.00 0.08 0.00 0.00 59.36 59.91 1lxf h GLU 59 Cb 1.03 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 1lxf h GLU 59 CO -0.93 0.35 -0.18 0.52 -2.18 0.00 0.00 179.01 176.59 1lxf h MET 60 N 0.55 0.00 -0.03 1.92 2.86 0.35 -2.54 114.93 118.03 1lxf h MET 60 Ca 0.45 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.88 1lxf h MET 60 Cb 0.67 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.33 1lxf h MET 60 CO -0.39 0.18 -0.87 0.82 1.06 0.00 0.00 176.91 177.71 1lxf h ILE 61 N 0.00 1.39 0.00 -1.22 1.08 0.36 -2.95 117.51 116.17 1lxf h ILE 61 Ca -0.00 -2.32 0.00 0.00 -0.39 0.00 0.00 64.86 62.14 1lxf h ILE 61 Cb 0.59 2.30 0.00 0.00 -3.07 0.00 0.00 36.82 36.64 1lxf h ILE 61 CO 0.02 0.70 0.02 0.44 -0.69 0.00 0.00 178.15 178.65 1lxf h ASP 62 N 0.26 0.00 1.37 1.72 5.19 -0.22 1.91 116.42 126.65 1lxf h ASP 62 Ca -0.06 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.26 1lxf h ASP 62 Cb 1.49 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.98 1lxf h ASP 62 CO 0.15 0.00 -0.40 -0.33 -3.12 0.00 0.00 179.24 175.54 1lxf h GLU 63 N 0.00 0.00 0.00 3.56 5.08 -1.56 -3.32 114.58 118.33 1lxf h GLU 63 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1lxf h GLU 63 Cb 0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1lxf h GLU 63 CO 0.00 0.40 -1.33 1.33 -1.00 0.00 0.00 179.01 178.41 1lxf n VAL 64 N -3.27 0.15 -2.53 3.13 0.24 0.83 -4.84 118.33 112.03 1lxf n VAL 64 Ca 0.02 -0.18 -0.42 0.00 -2.04 0.00 0.00 64.34 61.72 1lxf n VAL 64 Cb 0.64 -0.08 -0.01 0.00 -1.47 0.00 0.00 33.84 32.92 1lxf n VAL 64 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1lxf s ASP 65 N -3.10 6.67 -0.03 -1.34 1.11 0.61 -4.64 116.67 115.95 1lxf s ASP 65 Ca -0.03 -2.34 0.06 0.00 0.18 0.00 0.00 52.55 50.43 1lxf s ASP 65 Cb 0.03 -2.58 -0.24 0.00 1.07 0.00 0.00 42.92 41.20 1lxf s ASP 65 CO 0.26 -1.35 0.71 -0.33 1.18 0.00 0.00 175.17 175.64 1lxf h GLU 66 N 7.85 0.08 -0.01 8.23 5.08 -1.85 -3.31 114.58 130.65 1lxf h GLU 66 Ca 0.42 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1lxf h GLU 66 Cb 0.88 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1lxf h GLU 66 CO 1.44 0.76 -0.04 -0.40 -1.00 0.00 0.00 179.01 179.77 1lxf n ASP 67 N -3.21 1.01 -3.59 1.42 5.68 -1.26 -4.93 116.55 111.67 1lxf n ASP 67 Ca -0.17 -1.22 -0.23 0.00 -0.50 0.00 0.00 54.79 52.67 1lxf n ASP 67 Cb 1.04 0.00 0.08 0.00 -1.14 0.00 0.00 41.12 41.10 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 1.17 -0.50 0.13 6.12 0.00 -1.25 -4.88 105.19 105.98 1lxf n GLY 68 Ca 0.19 0.21 0.13 0.00 0.00 0.00 0.00 46.02 46.55 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 -3.03 0.70 -1.76 1.61 3.41 -1.26 -4.93 113.62 108.37 1lxf n SER 69 Ca -0.06 -0.55 -0.15 0.00 -0.26 0.00 0.00 58.87 57.85 1lxf n SER 69 Cb 0.59 0.11 -0.00 0.00 -0.26 0.00 0.00 64.21 64.64 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 1.39 -0.22 3.83 5.00 0.00 -1.26 -4.97 105.19 108.95 1lxf n GLY 70 Ca 0.10 -0.25 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.77 0.00 -0.51 2.61 -4.23 -1.26 -4.79 115.64 104.68 1lxf s THR 71 Ca 0.03 -1.03 0.03 0.00 -1.18 0.00 0.00 61.69 59.55 1lxf s THR 71 Cb -0.02 -2.24 0.15 0.00 1.34 0.00 0.00 72.50 71.74 1lxf s THR 71 CO 0.04 0.00 0.32 -0.69 -0.54 0.00 0.00 174.62 173.76 1lxf s VAL 72 N -3.52 1.78 0.00 2.29 1.01 -1.26 -4.65 120.40 116.05 1lxf s VAL 72 Ca 0.13 -3.12 0.00 0.00 0.00 0.00 0.00 61.98 58.99 1lxf s VAL 72 Cb -0.05 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 34.11 1lxf s VAL 72 CO 0.08 -0.96 0.00 -0.90 0.00 0.00 0.00 175.10 173.32 1lxf n ASP 73 N 2.97 -0.59 -0.37 3.32 5.68 -1.26 -1.91 116.55 124.40 1lxf n ASP 73 Ca 0.14 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.54 1lxf n ASP 73 Cb 0.36 0.00 0.44 0.00 -1.14 0.00 0.00 41.12 40.79 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 -1.54 0.13 -0.08 2.11 7.35 -1.25 -3.26 117.46 120.93 1lxf n PHE 74 Ca 0.00 -0.07 -0.12 0.00 -0.76 0.00 0.00 57.45 56.50 1lxf n PHE 74 Cb 0.00 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 39.79 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 -0.04 1.69 0.00 -2.13 9.92 -1.26 -4.28 116.55 120.45 1lxf n ASP 75 Ca 0.16 0.28 0.08 0.00 -0.53 0.00 0.00 54.79 54.78 1lxf n ASP 75 Cb 0.25 -0.65 0.35 0.00 -0.64 0.00 0.00 41.12 40.43 1lxf n ASP 75 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1lxf n GLU 76 N -4.17 0.06 -0.00 -1.24 0.28 -1.26 -3.53 120.64 110.78 1lxf n GLU 76 Ca -0.21 0.20 -0.00 0.00 -0.16 0.00 0.00 57.16 56.99 1lxf n GLU 76 Cb 0.54 -1.50 -0.00 0.00 1.43 0.00 0.00 31.44 31.91 1lxf n GLU 76 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1lxf h PHE 77 N 0.00 0.00 -0.17 -1.84 3.57 -1.78 -3.27 116.94 113.44 1lxf h PHE 77 Ca 0.00 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1lxf h PHE 77 Cb 0.24 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1lxf h PHE 77 CO 0.00 0.00 -0.10 1.28 -2.23 0.00 0.00 178.31 177.26 1lxf n LEU 78 N -2.23 -0.19 -0.28 0.59 4.77 -1.24 -1.67 117.00 116.76 1lxf n LEU 78 Ca -0.00 1.08 -0.07 0.00 -0.03 0.00 0.00 56.01 56.98 1lxf n LEU 78 Cb 0.00 -0.42 -0.07 0.00 -2.33 0.00 0.00 43.42 40.60 1lxf n LEU 78 CO 0.00 -0.64 0.44 0.52 -1.33 0.00 0.00 177.39 176.38 1lxf n VAL 79 N -3.36 -0.45 -0.34 4.08 0.31 -1.23 0.27 118.33 117.61 1lxf n VAL 79 Ca 0.00 1.96 0.29 0.00 -0.01 0.00 0.00 64.34 66.59 1lxf n VAL 79 Cb 0.05 -2.46 0.50 0.00 -0.91 0.00 0.00 33.84 31.01 1lxf n VAL 79 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 1lxf n MET 80 N -4.54 -0.03 -0.04 5.55 0.00 -0.67 0.15 117.12 117.54 1lxf n MET 80 Ca 0.01 0.93 -0.14 0.00 0.00 0.00 0.00 57.70 58.50 1lxf n MET 80 Cb 0.17 -1.82 -0.12 0.00 0.00 0.00 0.00 33.22 31.45 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 0.06 -0.04 3.17 2.07 -0.12 -3.18 114.93 116.88 1lxf h MET 81 Ca 0.65 -0.07 -0.05 0.00 -2.07 0.00 0.00 59.70 58.16 1lxf h MET 81 Cb 2.07 0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 31.81 1lxf h MET 81 CO -0.35 0.87 -0.23 -0.24 1.07 0.00 0.00 176.91 178.04 1lxf h VAL 82 N -0.73 1.19 -0.13 -2.22 3.04 0.16 -2.28 116.25 115.27 1lxf h VAL 82 Ca -0.01 -0.87 -0.04 0.00 -1.01 0.00 0.00 66.70 64.77 1lxf h VAL 82 Cb 0.91 1.41 -0.01 0.00 -2.01 0.00 0.00 31.29 31.59 1lxf h VAL 82 CO 0.02 0.25 -0.10 -0.09 -1.01 0.00 0.00 177.57 176.64 1lxf h ARG 83 N 0.07 0.19 -0.01 4.17 2.43 0.15 -0.98 114.38 120.41 1lxf h ARG 83 Ca 0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1lxf h ARG 83 Cb 0.44 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1lxf h ARG 83 CO 0.03 0.31 -0.01 0.00 -1.51 0.00 0.00 179.97 178.79 1lxf h MET 85 N 1.44 0.50 0.09 0.00 2.86 -1.10 -1.83 114.93 116.90 1lxf h MET 85 Ca 0.00 -0.64 -0.12 0.00 -2.06 0.00 0.00 59.70 56.88 1lxf h MET 85 Cb 0.32 0.20 0.01 0.00 0.06 0.00 0.00 31.60 32.19 1lxf h MET 85 CO 0.00 1.26 -0.53 0.87 1.06 0.00 0.00 176.91 179.57 1lxf h LYS 86 N 0.24 0.20 -2.28 1.72 6.56 -1.64 -3.38 116.57 118.00 1lxf h LYS 86 Ca -0.14 -0.34 -0.61 0.00 -1.06 0.00 0.00 60.65 58.50 1lxf h LYS 86 Cb 1.80 0.12 -0.41 0.00 -0.57 0.00 0.00 32.23 33.18 1lxf h LYS 86 CO 0.21 1.15 -0.48 -0.25 -2.06 0.00 0.00 179.45 178.02 1lxf n ASP 87 N -4.29 4.53 -3.75 0.86 8.00 -1.24 -5.08 116.55 115.57 1lxf n ASP 87 Ca -0.12 -3.61 -0.27 0.00 0.71 0.00 0.00 54.79 51.49 1lxf n ASP 87 Cb 0.70 -0.65 0.23 0.00 -0.02 0.00 0.00 41.12 41.38 1lxf n ASP 87 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1lxf n ASP 88 N 0.13 -3.12 -0.10 -2.24 5.75 -0.69 -4.78 116.55 111.50 1lxf n ASP 88 Ca 0.32 -0.49 0.16 0.00 -0.01 0.00 0.00 54.79 54.76 1lxf n ASP 88 Cb 0.39 -0.98 0.86 0.00 -1.03 0.00 0.00 41.12 40.36 1lxf n ASP 88 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55