#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 0.00 -0.01 6.12 -0.08 -1.26 -4.95 116.55 116.37 1lxf n ASP 2 Ca 0.00 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.42 1lxf n ASP 2 Cb 0.00 0.00 0.54 0.00 2.34 0.00 0.00 41.12 44.00 1lxf n ASP 2 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1lxf n ASP 3 N 0.00 0.17 0.17 1.67 8.00 -1.26 -3.69 116.55 121.61 1lxf n ASP 3 Ca 0.00 0.17 0.19 0.00 0.71 0.00 0.00 54.79 55.85 1lxf n ASP 3 Cb 0.00 -0.26 0.77 0.00 -0.02 0.00 0.00 41.12 41.61 1lxf n ASP 3 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 1lxf h ILE 4 N 0.06 0.28 0.16 0.53 -2.65 -2.03 0.40 117.51 114.26 1lxf h ILE 4 Ca 0.00 0.00 -0.30 0.00 1.03 0.00 0.00 64.86 65.59 1lxf h ILE 4 Cb 0.47 0.67 0.01 0.00 -2.05 0.00 0.00 36.82 35.92 1lxf h ILE 4 CO 0.00 0.00 -1.45 1.88 0.03 0.00 0.00 178.15 178.61 1lxf h TYR 5 N 0.00 0.62 -0.94 0.16 -1.99 -2.01 -3.35 116.97 109.47 1lxf h TYR 5 Ca 0.13 -0.45 0.15 0.00 2.00 0.00 0.00 58.73 60.56 1lxf h TYR 5 Cb 0.92 -0.02 -0.16 0.00 2.00 0.00 0.00 36.73 39.47 1lxf h TYR 5 CO 0.00 1.56 -0.34 1.63 -0.00 0.00 0.00 178.16 181.01 1lxf n LYS 6 N -3.82 -0.19 -0.10 4.88 4.76 0.12 0.12 118.16 123.94 1lxf n LYS 6 Ca -0.22 1.44 -0.06 0.00 -2.87 0.00 0.00 58.31 56.60 1lxf n LYS 6 Cb 0.97 -2.14 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 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 1.40 0.21 -0.96 7.82 0.00 -1.69 0.95 119.26 126.99 1lxf h ALA 7 Ca 0.35 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.43 1lxf h ALA 7 Cb 0.58 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 1lxf h ALA 7 CO -0.94 -0.47 0.63 0.00 0.00 0.00 0.00 179.25 178.47 1lxf h ALA 8 N 1.32 1.39 0.00 0.00 0.00 0.86 0.18 119.26 123.01 1lxf h ALA 8 Ca 0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1lxf h ALA 8 Cb 0.27 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1lxf h ALA 8 CO -0.37 0.51 -0.10 0.28 0.00 0.00 0.00 179.25 179.57 1lxf h VAL 9 N 1.20 0.23 0.12 0.00 2.07 0.22 -2.94 116.25 117.14 1lxf h VAL 9 Ca 0.39 -0.91 -0.27 0.00 0.82 0.00 0.00 66.70 66.72 1lxf h VAL 9 Cb 0.04 1.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1lxf h VAL 9 CO -0.12 0.10 -1.26 -0.33 0.02 0.00 0.00 177.57 175.97 1lxf h GLU 10 N 0.00 0.24 -0.10 1.57 5.08 0.34 -3.31 114.58 118.41 1lxf h GLU 10 Ca -0.00 -0.42 0.03 0.00 -1.00 0.00 0.00 59.36 57.97 1lxf h GLU 10 Cb 0.74 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 1lxf h GLU 10 CO 0.01 1.18 -0.07 1.96 -1.00 0.00 0.00 179.01 181.09 1lxf h GLN 11 N 0.07 -0.08 -6.13 2.33 4.20 -0.60 -3.41 115.11 111.48 1lxf h GLN 11 Ca -0.14 0.01 -0.75 0.00 0.06 0.00 0.00 58.65 57.82 1lxf h GLN 11 Cb 1.96 0.02 0.01 0.00 0.30 0.00 0.00 27.48 29.77 1lxf h GLN 11 CO 0.19 -0.05 0.88 1.28 -0.67 0.00 0.00 178.83 180.46 1lxf n LEU 12 N -5.21 2.26 -4.56 1.46 4.77 -1.20 -4.92 117.00 109.60 1lxf n LEU 12 Ca -0.04 1.09 -0.30 0.00 -0.03 0.00 0.00 56.01 56.73 1lxf n LEU 12 Cb 0.13 -1.11 0.24 0.00 -2.33 0.00 0.00 43.42 40.35 1lxf n LEU 12 CO 0.26 -0.48 0.59 0.42 -1.33 0.00 0.00 177.39 176.86 1lxf s THR 13 N 3.48 1.60 -1.39 -5.08 -4.23 -1.26 -4.86 115.64 103.90 1lxf s THR 13 Ca 0.99 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 61.65 1lxf s THR 13 Cb -1.12 -2.42 0.24 0.00 1.34 0.00 0.00 72.50 70.54 1lxf s THR 13 CO 0.67 0.00 1.41 1.21 -0.54 0.00 0.00 174.62 177.37 1lxf n GLU 14 N -4.83 0.19 0.00 3.99 2.13 -1.26 -3.14 120.64 117.73 1lxf n GLU 14 Ca 0.12 0.16 0.00 0.00 0.66 0.00 0.00 57.16 58.10 1lxf n GLU 14 Cb 0.59 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.80 1lxf n GLU 14 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1lxf n GLU 15 N -1.31 0.00 -0.36 5.31 1.02 -1.26 -3.54 120.64 120.50 1lxf n GLU 15 Ca 0.07 0.38 0.29 0.00 -0.02 0.00 0.00 57.16 57.88 1lxf n GLU 15 Cb 0.12 -0.88 0.58 0.00 -0.02 0.00 0.00 31.44 31.24 1lxf n GLU 15 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 1lxf h GLN 16 N 0.00 0.24 -0.72 3.49 -0.00 -1.93 1.09 115.11 117.29 1lxf h GLN 16 Ca 0.00 -0.01 0.10 0.00 -0.00 0.00 0.00 58.65 58.73 1lxf h GLN 16 Cb 0.00 -0.06 -0.05 0.00 -0.00 0.00 0.00 27.48 27.38 1lxf h GLN 16 CO 0.00 0.16 0.47 0.87 -0.00 0.00 0.00 178.83 180.34 1lxf h LYS 17 N 0.25 0.59 0.06 0.06 1.79 -1.69 -0.05 116.57 117.58 1lxf h LYS 17 Ca 0.66 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 59.09 1lxf h LYS 17 Cb 1.93 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 32.45 1lxf h LYS 17 CO -0.30 0.39 -0.03 -0.91 -1.08 0.00 0.00 179.45 177.53 1lxf h ASN 18 N 0.61 -0.07 -1.45 0.86 2.35 0.12 -0.58 115.58 117.43 1lxf h ASN 18 Ca 0.33 0.00 0.45 0.00 -0.55 0.00 0.00 56.30 56.53 1lxf h ASN 18 Cb 0.48 0.02 -0.11 0.00 0.05 0.00 0.00 38.32 38.76 1lxf h ASN 18 CO -0.11 -0.03 0.98 1.05 -1.65 0.00 0.00 177.43 177.66 1lxf h GLU 19 N -0.12 0.07 0.53 0.81 4.11 -1.40 0.22 114.58 118.81 1lxf h GLU 19 Ca -0.01 -0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.39 1lxf h GLU 19 Cb 0.06 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.30 1lxf h GLU 19 CO 0.01 0.05 -0.26 0.35 0.07 0.00 0.00 179.01 179.23 1lxf h PHE 20 N 0.07 -0.66 -0.84 2.06 3.04 -0.91 -3.07 116.94 116.63 1lxf h PHE 20 Ca 0.81 -0.02 0.16 0.00 3.98 0.00 0.00 57.97 62.91 1lxf h PHE 20 Cb 2.77 0.22 -0.16 0.00 2.56 0.00 0.00 35.95 41.34 1lxf h PHE 20 CO -0.00 -0.41 -0.23 0.87 -2.02 0.00 0.00 178.31 176.51 1lxf h LYS 21 N -0.95 -0.01 0.00 1.11 1.57 0.10 0.30 116.57 118.70 1lxf h LYS 21 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1lxf h LYS 21 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1lxf h LYS 21 CO 0.12 -0.01 0.00 0.00 -0.57 0.00 0.00 179.45 178.99 1lxf n ALA 22 N -3.38 -0.02 0.30 3.86 0.00 -0.42 0.23 120.51 121.07 1lxf n ALA 22 Ca 0.12 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.74 1lxf n ALA 22 Cb 0.42 0.46 0.97 0.00 0.00 0.00 0.00 19.45 21.31 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 -1.10 1.35 0.00 0.00 0.00 -1.17 0.59 119.26 118.92 1lxf h ALA 23 Ca 0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1lxf h ALA 23 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1lxf h ALA 23 CO 0.00 -0.20 -0.40 0.35 0.00 0.00 0.00 179.25 179.00 1lxf h PHE 24 N 0.00 0.00 0.00 0.00 3.04 0.66 -2.10 116.94 118.54 1lxf h PHE 24 Ca 0.03 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.98 1lxf h PHE 24 Cb 0.37 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.88 1lxf h PHE 24 CO 0.00 0.40 0.00 -0.25 -2.02 0.00 0.00 178.31 176.44 1lxf n ASP 25 N -3.78 0.00 -0.11 0.41 8.00 0.22 -3.51 116.55 117.78 1lxf n ASP 25 Ca -0.01 0.06 -0.20 0.00 0.71 0.00 0.00 54.79 55.35 1lxf n ASP 25 Cb 0.47 -0.35 -0.08 0.00 -0.02 0.00 0.00 41.12 41.13 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 -1.35 1.51 -0.34 0.53 2.08 -0.82 -2.39 119.36 118.58 1lxf n ILE 26 Ca 0.12 -0.09 0.24 0.00 0.56 0.00 0.00 62.75 63.58 1lxf n ILE 26 Cb 0.27 -2.08 0.51 0.00 -0.75 0.00 0.00 39.64 37.59 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 -1.00 0.69 -0.23 1.39 0.04 -1.59 0.54 116.94 116.78 1lxf h PHE 27 Ca -0.37 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.37 1lxf h PHE 27 Cb 1.25 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 39.17 1lxf h PHE 27 CO -0.08 0.01 -0.04 1.33 -0.60 0.00 0.00 178.31 178.93 1lxf n VAL 28 N -4.68 2.29 -1.66 -0.55 0.24 -1.23 -4.11 118.33 108.64 1lxf n VAL 28 Ca 0.27 -2.26 -0.48 0.00 -2.04 0.00 0.00 64.34 59.83 1lxf n VAL 28 Cb 0.94 -0.27 -0.05 0.00 -1.47 0.00 0.00 33.84 32.99 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 -0.89 2.86 -2.75 1.34 -0.00 0.19 -0.40 117.00 117.36 1lxf n LEU 29 Ca 0.24 1.07 -0.20 0.00 -0.00 0.00 0.00 56.01 57.12 1lxf n LEU 29 Cb 0.88 -1.36 0.04 0.00 -0.00 0.00 0.00 43.42 42.98 1lxf n LEU 29 CO 0.13 -0.39 0.02 0.61 -0.00 0.00 0.00 177.39 177.76 1lxf n GLY 30 N 3.46 -0.38 3.85 1.47 0.00 -1.26 -4.99 105.19 107.33 1lxf n GLY 30 Ca 0.19 0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.13 3.69 0.60 4.61 0.00 0.47 -4.97 121.76 123.04 1lxf s ALA 31 Ca 0.30 -1.18 0.28 0.00 0.00 0.00 0.00 51.96 51.36 1lxf s ALA 31 Cb -0.13 -1.49 1.26 0.00 0.00 0.00 0.00 23.12 22.76 1lxf s ALA 31 CO 0.37 0.48 1.64 1.49 0.00 0.00 0.00 175.76 179.74 1lxf h GLU 32 N 2.22 0.00 0.00 0.00 4.22 -1.89 -3.42 114.58 115.71 1lxf h GLU 32 Ca -0.48 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.96 1lxf h GLU 32 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1lxf h GLU 32 CO 0.64 0.00 0.00 -0.40 -2.18 0.00 0.00 179.01 177.07 1lxf n ASP 33 N -3.50 0.00 -2.74 1.04 5.68 -1.26 -5.02 116.55 110.75 1lxf n ASP 33 Ca 0.15 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.42 1lxf n ASP 33 Cb 1.05 0.00 0.09 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 -0.69 1.85 3.54 6.12 0.00 -1.26 -4.98 105.19 109.77 1lxf n GLY 34 Ca 0.00 -0.61 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 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 1.24 4.85 0.23 0.00 1.01 0.32 -4.58 121.20 124.26 1lxf s ILE 36 Ca 0.05 0.66 0.02 0.00 0.00 0.00 0.00 60.65 61.38 1lxf s ILE 36 Cb -0.14 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.63 1lxf s ILE 36 CO 0.04 -0.03 0.04 -0.55 0.00 0.00 0.00 174.94 174.43 1lxf s SER 37 N -2.21 1.45 0.39 3.58 0.15 -1.26 0.81 113.70 116.62 1lxf s SER 37 Ca 0.47 -1.27 0.10 0.00 0.70 0.00 0.00 55.95 55.95 1lxf s SER 37 Cb -0.12 0.09 0.88 0.00 -1.71 0.00 0.00 66.02 65.16 1lxf s SER 37 CO 0.20 -0.61 1.96 0.71 1.20 0.00 0.00 173.24 176.70 1lxf h THR 38 N 2.49 0.95 0.01 6.45 1.35 -1.92 0.66 112.91 122.91 1lxf h THR 38 Ca -0.38 -0.20 -0.12 0.00 -0.55 0.00 0.00 66.41 65.16 1lxf h THR 38 Cb 1.23 0.31 -0.01 0.00 -1.73 0.00 0.00 68.15 67.95 1lxf h THR 38 CO 0.63 0.11 -0.65 0.11 -0.25 0.00 0.00 175.52 175.47 1lxf h LYS 39 N 0.59 0.03 -0.59 4.72 1.79 -1.95 -2.97 116.57 118.18 1lxf h LYS 39 Ca 0.30 -0.05 0.08 0.00 -2.18 0.00 0.00 60.65 58.80 1lxf h LYS 39 Cb 0.41 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 31.04 1lxf h LYS 39 CO -0.10 1.02 0.39 1.49 -1.08 0.00 0.00 179.45 181.18 1lxf h GLU 40 N -0.93 0.48 -0.05 3.15 4.57 -1.78 0.73 114.58 120.74 1lxf h GLU 40 Ca -0.17 -0.03 -0.16 0.00 -1.18 0.00 0.00 59.36 57.82 1lxf h GLU 40 Cb 1.20 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.67 1lxf h GLU 40 CO -0.08 0.32 -0.66 1.25 -1.18 0.00 0.00 179.01 178.65 1lxf h LEU 41 N 0.49 0.27 0.00 1.64 5.85 0.20 -2.68 115.31 121.09 1lxf h LEU 41 Ca 0.26 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1lxf h LEU 41 Cb 0.40 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1lxf h LEU 41 CO -0.08 0.85 0.00 0.61 -0.34 0.00 0.00 178.44 179.49 1lxf n GLY 42 N 0.40 -1.09 0.08 3.75 0.00 0.19 -2.24 105.19 106.28 1lxf n GLY 42 Ca -0.03 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 1lxf n GLY 42 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1lxf h LYS 43 N 0.00 0.10 0.05 1.61 3.64 -1.04 -3.23 116.57 117.69 1lxf h LYS 43 Ca 0.00 -0.16 -0.10 0.00 -1.27 0.00 0.00 60.65 59.12 1lxf h LYS 43 Cb 0.29 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1lxf h LYS 43 CO 0.00 0.97 -0.48 -0.24 -2.27 0.00 0.00 179.45 177.43 1lxf h VAL 44 N 0.03 1.56 -0.60 2.00 3.04 -1.54 -3.33 116.25 117.41 1lxf h VAL 44 Ca -0.13 -2.39 0.09 0.00 -1.01 0.00 0.00 66.70 63.27 1lxf h VAL 44 Cb 1.90 3.16 -0.11 0.00 -2.01 0.00 0.00 31.29 34.22 1lxf h VAL 44 CO 0.14 0.61 -0.44 0.24 -1.01 0.00 0.00 177.57 177.12 1lxf h MET 45 N -0.77 -0.21 -1.05 4.17 2.86 -1.59 0.78 114.93 119.11 1lxf h MET 45 Ca -0.10 0.01 0.29 0.00 -2.06 0.00 0.00 59.70 57.84 1lxf h MET 45 Cb 1.27 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 32.92 1lxf h MET 45 CO 0.02 -0.14 0.73 0.07 1.06 0.00 0.00 176.91 178.65 1lxf h ARG 46 N -0.22 0.13 0.00 1.72 0.11 -0.77 1.59 114.38 116.94 1lxf h ARG 46 Ca 0.18 -0.01 -0.03 0.00 0.10 0.00 0.00 59.98 60.23 1lxf h ARG 46 Cb 0.56 -0.03 -0.00 0.00 1.11 0.00 0.00 29.97 31.61 1lxf h ARG 46 CO -0.70 0.08 -0.14 0.52 0.10 0.00 0.00 179.97 179.83 1lxf h MET 47 N 0.13 0.00 -0.46 0.08 2.86 0.38 -3.06 114.93 114.86 1lxf h MET 47 Ca 0.53 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.17 1lxf h MET 47 Cb 1.85 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.51 1lxf h MET 47 CO -0.09 0.14 0.00 1.28 1.06 0.00 0.00 176.91 179.30 1lxf n LEU 48 N -3.14 1.93 -0.25 1.22 4.32 0.54 -4.84 117.00 116.77 1lxf n LEU 48 Ca 0.03 -0.97 -0.03 0.00 -0.02 0.00 0.00 56.01 55.02 1lxf n LEU 48 Cb 0.58 -0.31 -0.01 0.00 -1.62 0.00 0.00 43.42 42.06 1lxf n LEU 48 CO 0.36 0.38 -0.03 0.61 -1.22 0.00 0.00 177.39 177.49 1lxf n GLY 49 N 0.72 0.53 2.99 -0.72 0.00 -1.03 -5.03 105.19 102.66 1lxf n GLY 49 Ca 0.10 -0.91 -0.23 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.66 1.49 -0.67 1.61 -0.21 -0.69 -5.01 119.66 113.53 1lxf s GLN 50 Ca 0.00 -0.34 -0.01 0.00 0.02 0.00 0.00 55.36 55.03 1lxf s GLN 50 Cb 0.00 -1.27 0.17 0.00 1.00 0.00 0.00 33.01 32.91 1lxf s GLN 50 CO 0.00 -0.00 0.48 1.21 -2.12 0.00 0.00 175.29 174.86 1lxf s ASN 51 N 0.73 5.22 0.95 5.90 2.47 -1.26 -0.45 114.94 128.51 1lxf s ASN 51 Ca -0.14 -3.09 -0.14 0.00 0.42 0.00 0.00 52.86 49.92 1lxf s ASN 51 Cb -0.15 -1.83 0.21 0.00 -1.45 0.00 0.00 41.25 38.03 1lxf s ASN 51 CO 0.03 -0.30 1.29 -0.81 -3.72 0.00 0.00 177.10 173.58 1lxf n PRO 52 N 3.15 -1.10 -4.18 0.43 -0.04 -1.26 -5.06 135.00 126.94 1lxf n PRO 52 Ca 0.11 -2.21 -0.27 0.00 -0.04 0.00 0.00 63.50 61.08 1lxf n PRO 52 Cb 0.37 -1.26 -0.05 0.00 -0.04 0.00 0.00 33.50 32.52 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 -3.81 1.82 -0.44 0.52 -4.23 -1.26 -5.00 115.64 103.24 1lxf s THR 53 Ca 0.75 -1.68 0.23 0.00 -1.18 0.00 0.00 61.69 59.81 1lxf s THR 53 Cb -0.02 -2.50 0.34 0.00 1.34 0.00 0.00 72.50 71.65 1lxf s THR 53 CO 0.52 0.00 1.63 1.55 -0.54 0.00 0.00 174.62 177.78 1lxf h PRO 54 N 1.16 0.00 0.11 3.99 0.13 -1.99 -2.00 132.00 133.40 1lxf h PRO 54 Ca -0.41 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.40 1lxf h PRO 54 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1lxf h PRO 54 CO 0.66 0.00 -1.67 0.93 -0.23 0.00 0.00 178.00 177.69 1lxf h GLU 55 N 0.00 0.23 0.02 0.86 4.39 -1.97 -3.29 114.58 114.82 1lxf h GLU 55 Ca 0.00 -0.40 -0.00 0.00 0.34 0.00 0.00 59.36 59.30 1lxf h GLU 55 Cb 0.97 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1lxf h GLU 55 CO 0.00 1.07 -0.01 0.93 -1.16 0.00 0.00 179.01 179.84 1lxf h GLU 56 N 0.06 -0.02 -0.67 2.33 4.39 -1.97 -3.27 114.58 115.43 1lxf h GLU 56 Ca -0.30 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.49 1lxf h GLU 56 Cb 2.03 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 30.57 1lxf h GLU 56 CO 0.14 0.72 -0.50 -0.07 -1.16 0.00 0.00 179.01 178.14 1lxf h LEU 57 N -0.94 -1.73 -0.82 1.33 3.38 -1.55 0.21 115.31 115.18 1lxf h LEU 57 Ca -0.00 0.27 0.15 0.00 0.09 0.00 0.00 57.88 58.39 1lxf h LEU 57 Cb 0.75 0.77 -0.15 0.00 0.09 0.00 0.00 40.66 42.12 1lxf h LEU 57 CO 0.00 -0.32 -0.28 -0.61 0.09 0.00 0.00 178.44 177.32 1lxf h GLN 58 N -0.20 -0.04 -0.93 1.13 5.75 -1.70 1.83 115.11 120.96 1lxf h GLN 58 Ca 0.17 0.00 0.22 0.00 -0.15 0.00 0.00 58.65 58.89 1lxf h GLN 58 Cb 0.54 0.01 -0.07 0.00 1.07 0.00 0.00 27.48 29.03 1lxf h GLN 58 CO -0.75 -0.03 0.62 1.49 -2.65 0.00 0.00 178.83 177.51 1lxf h GLU 59 N -0.04 0.36 0.00 1.69 4.81 -0.66 1.83 114.58 122.57 1lxf h GLU 59 Ca 0.35 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 1lxf h GLU 59 Cb 0.60 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1lxf h GLU 59 CO -0.85 0.24 0.00 -1.33 -0.73 0.00 0.00 179.01 176.33 1lxf n MET 60 N -4.51 0.09 0.02 1.92 2.81 0.61 -2.98 117.12 115.09 1lxf n MET 60 Ca 0.20 0.20 -0.18 0.00 -1.81 0.00 0.00 57.70 56.12 1lxf n MET 60 Cb 0.76 -1.63 -0.14 0.00 -0.71 0.00 0.00 33.22 31.50 1lxf n MET 60 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1lxf h ILE 61 N 0.00 0.78 -0.61 2.02 1.08 0.38 -3.34 117.51 117.83 1lxf h ILE 61 Ca 0.00 -2.51 0.18 0.00 -0.39 0.00 0.00 64.86 62.14 1lxf h ILE 61 Cb 0.44 2.55 -0.02 0.00 -3.07 0.00 0.00 36.82 36.72 1lxf h ILE 61 CO 0.00 0.79 0.56 -0.78 -0.69 0.00 0.00 178.15 178.04 1lxf h ASP 62 N 0.06 0.00 -0.19 1.72 3.58 -1.21 1.13 116.42 121.52 1lxf h ASP 62 Ca -0.36 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.12 1lxf h ASP 62 Cb 2.03 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 43.06 1lxf h ASP 62 CO 0.11 0.00 0.03 -0.33 -2.88 0.00 0.00 179.24 176.16 1lxf h GLU 63 N 0.00 0.09 0.01 0.28 5.08 -1.68 -3.08 114.58 115.28 1lxf h GLU 63 Ca 0.29 -0.01 -0.31 0.00 -1.00 0.00 0.00 59.36 58.34 1lxf h GLU 63 Cb 1.42 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.60 1lxf h GLU 63 CO -0.00 0.06 -1.81 1.33 -1.00 0.00 0.00 179.01 177.59 1lxf n VAL 64 N -5.10 1.60 -0.69 3.13 0.24 0.19 -4.50 118.33 113.21 1lxf n VAL 64 Ca -0.03 -0.79 -0.25 0.00 -2.04 0.00 0.00 64.34 61.23 1lxf n VAL 64 Cb 0.09 -1.04 -0.03 0.00 -1.47 0.00 0.00 33.84 31.39 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 -3.05 3.04 -0.01 -1.34 9.92 0.37 -4.44 116.55 121.04 1lxf n ASP 65 Ca -0.20 -2.37 0.15 0.00 -0.53 0.00 0.00 54.79 51.84 1lxf n ASP 65 Cb 1.06 -0.94 0.73 0.00 -0.64 0.00 0.00 41.12 41.33 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 5.40 0.40 -0.08 -1.24 4.71 -1.26 -3.01 120.64 125.57 1lxf n GLU 66 Ca 0.38 -0.02 0.03 0.00 -0.01 0.00 0.00 57.16 57.54 1lxf n GLU 66 Cb 0.20 -1.50 0.07 0.00 -1.01 0.00 0.00 31.44 29.20 1lxf n GLU 66 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 1lxf n ASP 67 N -1.28 2.37 -1.85 1.62 5.68 -1.26 -4.96 116.55 116.87 1lxf n ASP 67 Ca 0.13 -2.26 -0.15 0.00 -0.50 0.00 0.00 54.79 52.01 1lxf n ASP 67 Cb 0.26 -0.16 -0.04 0.00 -1.14 0.00 0.00 41.12 40.04 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 -0.47 0.66 0.31 6.12 0.00 -1.16 -4.82 105.19 105.83 1lxf n GLY 68 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.04 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 0.93 0.00 1.61 4.64 -1.93 -3.46 113.55 115.34 1lxf h SER 69 Ca -0.34 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1lxf h SER 69 Cb 1.11 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1lxf h SER 69 CO 0.45 0.73 0.00 0.61 -0.87 0.00 0.00 176.83 177.75 1lxf n GLY 70 N -1.17 0.64 0.63 -0.77 0.00 -1.26 -5.06 105.19 98.20 1lxf n GLY 70 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.21 0.00 -3.64 2.61 -2.24 -1.26 -4.56 114.28 103.98 1lxf n THR 71 Ca 0.00 -0.43 -0.29 0.00 -2.27 0.00 0.00 64.05 61.07 1lxf n THR 71 Cb 0.00 0.23 -0.15 0.00 -2.10 0.00 0.00 70.33 68.30 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 -2.34 0.33 0.08 2.28 1.01 0.24 -4.53 120.40 117.48 1lxf s VAL 72 Ca 0.07 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 1lxf s VAL 72 Cb 0.00 -1.17 0.02 0.00 0.00 0.00 0.00 36.38 35.23 1lxf s VAL 72 CO 0.05 -0.59 0.04 -0.90 0.00 0.00 0.00 175.10 173.71 1lxf n ASP 73 N 5.09 -1.70 -0.27 3.32 5.68 -1.25 0.12 116.55 127.54 1lxf n ASP 73 Ca -0.05 -0.05 0.04 0.00 -0.50 0.00 0.00 54.79 54.23 1lxf n ASP 73 Cb 0.43 -0.06 0.13 0.00 -1.14 0.00 0.00 41.12 40.49 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 -2.94 0.19 0.00 2.11 7.35 -0.18 -3.88 117.46 120.11 1lxf n PHE 74 Ca 0.01 -0.09 0.00 0.00 -0.76 0.00 0.00 57.45 56.60 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 -0.09 0.00 -0.09 -2.13 8.00 -1.26 -4.64 116.55 116.33 1lxf n ASP 75 Ca 0.07 0.00 0.24 0.00 0.71 0.00 0.00 54.79 55.80 1lxf n ASP 75 Cb 0.14 -0.12 0.47 0.00 -0.02 0.00 0.00 41.12 41.59 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 0.00 0.00 -1.24 4.11 -1.93 -1.73 114.58 113.79 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 0.00 0.00 0.34 0.07 0.00 0.00 179.01 179.42 1lxf n PHE 77 N -3.25 0.00 -0.21 2.06 7.35 -1.25 -1.72 117.46 120.43 1lxf n PHE 77 Ca 0.17 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.77 1lxf n PHE 77 Cb 1.27 -0.43 -0.07 0.00 0.35 0.00 0.00 39.48 40.60 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 -1.47 -0.42 -2.13 3.38 -1.58 -1.93 115.31 111.17 1lxf h LEU 78 Ca 0.00 0.21 0.04 0.00 0.09 0.00 0.00 57.88 58.22 1lxf h LEU 78 Cb 0.00 0.63 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 1lxf h LEU 78 CO 0.00 -0.23 -0.25 0.52 0.09 0.00 0.00 178.44 178.58 1lxf n VAL 79 N -4.63 -0.28 -0.31 1.22 0.31 -1.18 0.14 118.33 113.59 1lxf n VAL 79 Ca -0.00 1.75 0.29 0.00 -0.01 0.00 0.00 64.34 66.37 1lxf n VAL 79 Cb 0.22 -2.23 0.53 0.00 -0.91 0.00 0.00 33.84 31.45 1lxf n VAL 79 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1lxf n MET 80 N -3.93 -0.05 0.34 5.55 0.00 -0.70 0.38 117.12 118.71 1lxf n MET 80 Ca 0.01 1.19 -0.14 0.00 -0.00 0.00 0.00 57.70 58.76 1lxf n MET 80 Cb 0.11 -2.17 -0.07 0.00 0.00 0.00 0.00 33.22 31.09 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 -0.88 -0.33 2.12 2.07 0.16 -2.82 114.93 115.25 1lxf h MET 81 Ca 0.75 0.06 0.10 0.00 -2.07 0.00 0.00 59.70 58.54 1lxf h MET 81 Cb 2.07 0.20 -0.01 0.00 -1.87 0.00 0.00 31.60 31.99 1lxf h MET 81 CO -0.62 -0.59 0.46 0.28 1.07 0.00 0.00 176.91 177.51 1lxf h VAL 82 N -1.25 0.26 -0.36 -2.22 2.07 0.88 0.52 116.25 116.15 1lxf h VAL 82 Ca -0.09 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.35 1lxf h VAL 82 Cb 0.70 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1lxf h VAL 82 CO 0.15 0.00 -0.10 -0.09 0.02 0.00 0.00 177.57 177.56 1lxf h ARG 83 N 0.00 0.61 0.00 1.57 2.43 -0.38 -2.47 114.38 116.13 1lxf h ARG 83 Ca 0.16 -0.18 -0.10 0.00 -0.81 0.00 0.00 59.98 59.04 1lxf h ARG 83 Cb 1.08 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.55 1lxf h ARG 83 CO -0.00 0.70 -0.99 0.00 -1.51 0.00 0.00 179.97 178.16 1lxf h MET 85 N 0.00 -1.08 -0.05 0.00 2.86 -0.79 0.21 114.93 116.07 1lxf h MET 85 Ca -0.08 0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1lxf h MET 85 Cb 1.37 0.25 -0.01 0.00 0.06 0.00 0.00 31.60 33.26 1lxf h MET 85 CO 0.04 -0.72 -0.09 0.87 1.06 0.00 0.00 176.91 178.07 1lxf h LYS 86 N -1.15 -0.07 -3.07 1.72 1.57 -1.61 -3.34 116.57 110.62 1lxf h LYS 86 Ca -0.11 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.05 1lxf h LYS 86 Cb 0.87 0.02 -0.41 0.00 0.08 0.00 0.00 32.23 32.79 1lxf h LYS 86 CO 0.19 -0.04 -0.69 -0.51 -0.57 0.00 0.00 179.45 177.82 1lxf s ASP 87 N -3.04 3.90 0.01 0.86 1.11 -1.23 -5.09 116.67 113.19 1lxf s ASP 87 Ca -0.02 -3.01 -0.34 0.00 0.18 0.00 0.00 52.55 49.36 1lxf s ASP 87 Cb 0.01 -1.28 -0.17 0.00 1.07 0.00 0.00 42.92 42.55 1lxf s ASP 87 CO 0.10 -0.21 0.89 0.47 1.18 0.00 0.00 175.17 177.59 1lxf n ASP 88 N 3.07 -0.10 0.00 0.27 8.00 0.74 -4.71 116.55 123.82 1lxf n ASP 88 Ca 0.11 1.01 0.11 0.00 0.71 0.00 0.00 54.79 56.73 1lxf n ASP 88 Cb 0.35 -0.80 0.64 0.00 -0.02 0.00 0.00 41.12 41.28 1lxf n ASP 88 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57