#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 5.71 0.20 7.83 9.92 -1.26 -4.74 116.55 134.21 1lxf n ASP 2 Ca 0.00 -3.70 0.13 0.00 -0.53 0.00 0.00 54.79 50.70 1lxf n ASP 2 Cb 0.00 -0.81 0.36 0.00 -0.64 0.00 0.00 41.12 40.03 1lxf n ASP 2 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1lxf h ASP 3 N 3.44 0.00 -0.40 -2.24 3.58 -2.07 -3.16 116.42 115.57 1lxf h ASP 3 Ca 0.31 0.00 0.12 0.00 0.42 0.00 0.00 57.03 57.88 1lxf h ASP 3 Cb 0.43 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.47 1lxf h ASP 3 CO 0.98 0.00 0.38 0.16 -2.88 0.00 0.00 179.24 177.88 1lxf h ILE 4 N 0.00 0.49 0.11 2.25 -2.65 -2.02 -1.19 117.51 114.50 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 0.78 0.71 -0.01 0.00 -2.05 0.00 0.00 36.82 36.25 1lxf h ILE 4 CO 0.00 0.00 -1.58 1.88 0.03 0.00 0.00 178.15 178.48 1lxf h TYR 5 N 0.00 0.43 -0.93 0.16 0.05 -1.96 -3.25 116.97 111.46 1lxf h TYR 5 Ca 0.19 -0.31 0.24 0.00 0.05 0.00 0.00 58.73 58.90 1lxf h TYR 5 Cb 0.95 -0.02 -0.17 0.00 1.01 0.00 0.00 36.73 38.50 1lxf h TYR 5 CO 0.00 1.62 0.03 0.87 -1.05 0.00 0.00 178.16 179.63 1lxf h LYS 6 N -0.25 0.04 0.22 4.88 1.79 -1.34 0.55 116.57 122.47 1lxf h LYS 6 Ca -0.35 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.11 1lxf h LYS 6 Cb 1.81 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.46 1lxf h LYS 6 CO 0.05 0.03 -0.11 0.00 -1.08 0.00 0.00 179.45 178.34 1lxf h ALA 7 N 1.91 -0.30 -0.89 3.86 0.00 -1.65 -0.27 119.26 121.92 1lxf h ALA 7 Ca 0.55 -0.17 0.22 0.00 0.00 0.00 0.00 54.91 55.52 1lxf h ALA 7 Cb 1.10 0.12 -0.13 0.00 0.00 0.00 0.00 17.79 18.88 1lxf h ALA 7 CO -0.85 -0.52 0.38 0.00 0.00 0.00 0.00 179.25 178.25 1lxf h ALA 8 N 0.10 1.42 -0.03 0.00 0.00 -0.56 1.26 119.26 121.45 1lxf h ALA 8 Ca -0.03 0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1lxf h ALA 8 Cb 0.43 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1lxf h ALA 8 CO 0.05 -0.35 -0.45 0.28 0.00 0.00 0.00 179.25 178.77 1lxf h VAL 9 N 0.38 1.33 -0.33 0.00 2.07 0.09 -2.00 116.25 117.79 1lxf h VAL 9 Ca 0.56 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 66.49 1lxf h VAL 9 Cb 1.06 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 1lxf h VAL 9 CO -0.54 0.46 0.00 -0.62 0.02 0.00 0.00 177.57 176.89 1lxf n GLU 10 N -3.99 2.41 -0.09 1.57 -0.58 0.40 -3.90 120.64 116.45 1lxf n GLU 10 Ca -0.02 -1.45 -0.15 0.00 -0.42 0.00 0.00 57.16 55.12 1lxf n GLU 10 Cb 0.49 -1.59 -0.08 0.00 -0.57 0.00 0.00 31.44 29.69 1lxf n GLU 10 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1lxf n GLN 11 N 0.44 0.46 -0.94 3.49 1.13 0.69 -4.99 117.38 117.66 1lxf n GLN 11 Ca 0.13 0.13 -0.37 0.00 -1.94 0.00 0.00 57.00 54.95 1lxf n GLN 11 Cb 0.52 -1.34 0.06 0.00 0.11 0.00 0.00 30.24 29.60 1lxf n GLN 11 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1lxf n LEU 12 N -3.25 -3.44 -4.93 1.08 4.77 -1.18 -4.95 117.00 105.10 1lxf n LEU 12 Ca -0.35 0.04 -0.27 0.00 -0.03 0.00 0.00 56.01 55.41 1lxf n LEU 12 Cb 0.83 -0.67 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 1lxf n LEU 12 CO 0.15 -3.48 0.05 0.42 -1.33 0.00 0.00 177.39 173.20 1lxf s THR 13 N -2.06 5.18 0.55 -5.08 -4.23 -1.26 -4.90 115.64 103.84 1lxf s THR 13 Ca 0.41 -0.36 0.40 0.00 -1.18 0.00 0.00 61.69 60.96 1lxf s THR 13 Cb -0.01 -3.75 0.59 0.00 1.34 0.00 0.00 72.50 70.67 1lxf s THR 13 CO 0.70 -0.23 1.72 -0.33 -0.54 0.00 0.00 174.62 175.95 1lxf h GLU 14 N 1.83 0.00 0.00 3.99 5.08 -1.97 0.13 114.58 123.64 1lxf h GLU 14 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1lxf h GLU 14 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1lxf h GLU 14 CO 0.67 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 179.07 1lxf n GLU 15 N -4.05 0.00 -0.18 2.33 1.02 -1.26 0.94 120.64 119.43 1lxf n GLU 15 Ca 0.30 0.29 -0.01 0.00 -0.02 0.00 0.00 57.16 57.72 1lxf n GLU 15 Cb 1.45 -1.29 0.08 0.00 -0.02 0.00 0.00 31.44 31.66 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 0.13 -0.87 3.49 3.07 -1.76 0.26 115.11 119.43 1lxf h GLN 16 Ca 0.00 -0.01 0.13 0.00 0.09 0.00 0.00 58.65 58.86 1lxf h GLN 16 Cb 0.00 -0.03 -0.09 0.00 0.08 0.00 0.00 27.48 27.44 1lxf h GLN 16 CO 0.00 0.09 0.49 0.87 0.09 0.00 0.00 178.83 180.36 1lxf h LYS 17 N 0.13 0.71 0.00 0.06 1.79 -1.01 0.19 116.57 118.45 1lxf h LYS 17 Ca 0.29 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 1lxf h LYS 17 Cb 0.44 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1lxf h LYS 17 CO -0.46 0.47 0.00 0.09 -1.08 0.00 0.00 179.45 178.47 1lxf n ASN 18 N -4.79 0.00 -0.46 0.86 3.02 0.27 -1.93 115.26 112.22 1lxf n ASN 18 Ca 0.17 0.62 0.39 0.00 -0.03 0.00 0.00 54.58 55.73 1lxf n ASN 18 Cb 0.39 -0.39 0.65 0.00 -0.61 0.00 0.00 39.78 39.82 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 -1.66 -0.03 0.27 3.52 -0.00 0.63 -0.06 120.64 123.30 1lxf n GLU 19 Ca 0.00 1.19 -0.11 0.00 -0.00 0.00 0.00 57.16 58.24 1lxf n GLU 19 Cb 0.00 -2.35 -0.05 0.00 -0.00 0.00 0.00 31.44 29.03 1lxf n GLU 19 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.13 177.87 1lxf h PHE 20 N 0.00 -0.65 -1.30 -1.84 0.04 -0.64 0.39 116.94 112.93 1lxf h PHE 20 Ca 0.84 -0.02 0.42 0.00 2.80 0.00 0.00 57.97 62.01 1lxf h PHE 20 Cb 2.73 0.22 -0.12 0.00 2.20 0.00 0.00 35.95 40.98 1lxf h PHE 20 CO -0.01 -0.41 0.84 0.87 -0.60 0.00 0.00 178.31 179.01 1lxf h LYS 21 N -0.85 0.11 0.10 1.51 1.79 0.22 1.44 116.57 120.88 1lxf h LYS 21 Ca -0.07 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1lxf h LYS 21 Cb 0.54 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1lxf h LYS 21 CO 0.12 0.07 -0.05 0.00 -1.08 0.00 0.00 179.45 178.51 1lxf h ALA 22 N 1.59 -0.13 0.00 3.86 0.00 -1.05 -2.06 119.26 121.46 1lxf h ALA 22 Ca 0.80 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.45 1lxf h ALA 22 Cb 2.49 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 20.32 1lxf h ALA 22 CO -0.39 -0.33 -0.14 0.00 0.00 0.00 0.00 179.25 178.38 1lxf h ALA 23 N 0.20 1.52 0.00 0.00 0.00 0.26 -0.08 119.26 121.16 1lxf h ALA 23 Ca -0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1lxf h ALA 23 Cb 0.49 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1lxf h ALA 23 CO 0.02 0.18 -0.12 0.74 0.00 0.00 0.00 179.25 180.07 1lxf h PHE 24 N 0.00 0.00 -0.20 0.00 -1.00 0.17 -2.35 116.94 113.56 1lxf h PHE 24 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1lxf h PHE 24 Cb 0.30 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.86 1lxf h PHE 24 CO 0.00 0.12 0.00 -0.25 -1.61 0.00 0.00 178.31 176.57 1lxf n ASP 25 N -3.22 1.26 -0.06 2.17 9.92 -0.05 -3.70 116.55 122.89 1lxf n ASP 25 Ca 0.01 -2.03 -0.12 0.00 -0.53 0.00 0.00 54.79 52.12 1lxf n ASP 25 Cb 0.42 -0.19 -0.04 0.00 -0.64 0.00 0.00 41.12 40.67 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 0.12 0.84 0.30 0.53 2.08 -0.89 -3.46 119.36 118.88 1lxf n ILE 26 Ca 0.07 -0.10 0.20 0.00 0.56 0.00 0.00 62.75 63.48 1lxf n ILE 26 Cb 0.22 -1.73 1.07 0.00 -0.75 0.00 0.00 39.64 38.45 1lxf n ILE 26 CO 0.00 0.00 0.00 2.19 0.56 0.00 0.00 176.55 179.30 1lxf h PHE 27 N -0.47 0.00 0.00 1.39 -0.00 -1.67 -0.11 116.94 116.08 1lxf h PHE 27 Ca -0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.68 1lxf h PHE 27 Cb 1.14 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 37.06 1lxf h PHE 27 CO -0.07 0.00 -0.28 1.33 -0.00 0.00 0.00 178.31 179.28 1lxf n VAL 28 N -2.90 1.32 -2.10 0.88 0.24 -1.24 -4.53 118.33 110.00 1lxf n VAL 28 Ca -0.03 -1.76 -0.43 0.00 -2.04 0.00 0.00 64.34 60.09 1lxf n VAL 28 Cb 0.08 0.04 -0.03 0.00 -1.47 0.00 0.00 33.84 32.47 1lxf n VAL 28 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 1lxf s LEU 29 N -2.00 3.92 0.00 1.34 2.34 -0.06 -1.63 118.68 122.60 1lxf s LEU 29 Ca 0.25 1.67 0.00 0.00 0.06 0.00 0.00 54.13 56.11 1lxf s LEU 29 Cb 0.23 -3.53 0.00 0.00 -0.56 0.00 0.00 46.19 42.33 1lxf s LEU 29 CO -0.01 -1.24 0.00 0.61 -1.06 0.00 0.00 176.35 174.65 1lxf n GLY 30 N 4.64 2.35 2.06 -3.48 0.00 -1.26 -5.01 105.19 104.49 1lxf n GLY 30 Ca 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.12 -2.40 -0.04 4.61 0.00 -0.64 -4.95 120.51 115.97 1lxf n ALA 31 Ca 0.00 -0.70 -0.11 0.00 0.00 0.00 0.00 53.44 52.63 1lxf n ALA 31 Cb 0.00 -0.06 -0.14 0.00 0.00 0.00 0.00 19.45 19.24 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 -2.40 0.66 0.00 0.00 0.00 -1.26 -4.95 120.64 112.69 1lxf n GLU 32 Ca 0.06 0.23 0.00 0.00 0.00 0.00 0.00 57.16 57.45 1lxf n GLU 32 Cb 0.27 -1.72 0.00 0.00 0.00 0.00 0.00 31.44 30.00 1lxf n GLU 32 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1lxf n ASP 33 N -3.08 0.00 -2.68 4.31 5.68 -1.26 -5.08 116.55 114.44 1lxf n ASP 33 Ca -0.24 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 54.01 1lxf n ASP 33 Cb 1.07 0.00 0.07 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 0.84 -0.55 3.59 6.12 0.00 -1.26 -5.03 105.19 108.90 1lxf n GLY 34 Ca 0.00 0.32 -0.24 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.27 3.73 0.18 0.00 1.01 0.43 -4.49 121.20 119.79 1lxf s ILE 36 Ca 0.30 -3.39 -0.30 0.00 0.00 0.00 0.00 60.65 57.26 1lxf s ILE 36 Cb -0.06 -3.41 -0.08 0.00 0.01 0.00 0.00 42.46 38.92 1lxf s ILE 36 CO 0.18 -0.95 1.18 -0.94 0.00 0.00 0.00 174.94 174.41 1lxf s SER 37 N 0.14 7.12 0.39 3.58 1.04 -1.26 -3.77 113.70 120.95 1lxf s SER 37 Ca 0.21 2.19 0.24 0.00 0.48 0.00 0.00 55.95 59.07 1lxf s SER 37 Cb -0.15 -2.60 1.35 0.00 0.10 0.00 0.00 66.02 64.71 1lxf s SER 37 CO -0.07 -0.35 1.60 0.71 0.98 0.00 0.00 173.24 176.11 1lxf h THR 38 N 3.80 0.08 0.01 2.02 1.35 -1.92 2.30 112.91 120.55 1lxf h THR 38 Ca -0.44 -0.03 -0.19 0.00 -0.55 0.00 0.00 66.41 65.20 1lxf h THR 38 Cb 1.21 -0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 67.61 1lxf h THR 38 CO 0.75 0.01 -0.90 0.11 -0.25 0.00 0.00 175.52 175.24 1lxf h LYS 39 N 0.08 0.07 0.01 4.72 1.79 -1.90 -3.19 116.57 118.15 1lxf h LYS 39 Ca 0.83 -0.09 -0.06 0.00 -2.18 0.00 0.00 60.65 59.15 1lxf h LYS 39 Cb 2.34 0.03 0.01 0.00 -1.58 0.00 0.00 32.23 33.02 1lxf h LYS 39 CO -0.61 0.92 -0.25 1.49 -1.08 0.00 0.00 179.45 179.92 1lxf h GLU 40 N 0.03 0.14 -0.74 3.15 4.22 0.31 -3.31 114.58 118.39 1lxf h GLU 40 Ca -0.03 -0.18 0.17 0.00 0.08 0.00 0.00 59.36 59.41 1lxf h GLU 40 Cb 1.57 0.05 -0.12 0.00 0.50 0.00 0.00 28.75 30.75 1lxf h GLU 40 CO 0.13 0.96 0.11 1.25 -2.18 0.00 0.00 179.01 179.28 1lxf h LEU 41 N -0.59 -0.13 -1.53 1.64 5.85 0.37 0.51 115.31 121.43 1lxf h LEU 41 Ca -0.04 0.17 0.32 0.00 0.84 0.00 0.00 57.88 59.17 1lxf h LEU 41 Cb 1.06 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 42.30 1lxf h LEU 41 CO 0.05 -0.10 1.06 1.23 -0.34 0.00 0.00 178.44 180.33 1lxf h GLY 42 N 0.19 0.00 0.93 3.75 0.00 -1.64 0.27 103.07 106.58 1lxf h GLY 42 Ca 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.73 1lxf h GLY 42 CO -0.58 0.00 -0.22 1.70 0.00 0.00 0.00 176.54 177.45 1lxf h LYS 43 N 0.00 -0.58 0.36 4.80 1.63 -0.13 -1.73 116.57 120.91 1lxf h LYS 43 Ca 0.52 0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 60.35 1lxf h LYS 43 Cb 2.63 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 34.40 1lxf h LYS 43 CO -0.01 -0.35 -0.17 0.28 -3.45 0.00 0.00 179.45 175.75 1lxf h VAL 44 N -0.69 0.00 -0.98 2.00 2.07 -0.59 -2.90 116.25 115.16 1lxf h VAL 44 Ca -0.06 -0.03 0.17 0.00 0.82 0.00 0.00 66.70 67.59 1lxf h VAL 44 Cb 0.51 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.11 1lxf h VAL 44 CO 0.10 0.00 -0.33 0.23 0.02 0.00 0.00 177.57 177.59 1lxf n MET 45 N -3.41 -0.18 0.27 1.57 2.81 -1.08 0.23 117.12 117.35 1lxf n MET 45 Ca -0.06 1.52 0.18 0.00 -1.81 0.00 0.00 57.70 57.54 1lxf n MET 45 Cb 0.19 -2.27 0.93 0.00 -0.71 0.00 0.00 33.22 31.37 1lxf n MET 45 CO 0.00 0.00 0.00 0.07 1.51 0.00 0.00 175.97 177.55 1lxf h ARG 46 N 0.00 0.00 0.00 0.03 0.11 0.20 0.45 114.38 115.18 1lxf h ARG 46 Ca 0.39 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.47 1lxf h ARG 46 Cb 0.64 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.72 1lxf h ARG 46 CO -0.99 0.00 -0.47 -1.33 0.10 0.00 0.00 179.97 177.28 1lxf n MET 47 N -3.37 0.10 0.00 0.08 2.81 0.64 -3.59 117.12 113.79 1lxf n MET 47 Ca -0.01 0.03 0.11 0.00 -1.81 0.00 0.00 57.70 56.02 1lxf n MET 47 Cb 0.28 -1.56 -0.01 0.00 -0.71 0.00 0.00 33.22 31.22 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 -1.70 1.06 0.00 4.03 4.77 0.15 -4.93 117.00 120.37 1lxf n LEU 48 Ca 0.05 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 1lxf n LEU 48 Cb 0.37 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1lxf n LEU 48 CO 0.34 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 1lxf n GLY 49 N 1.48 1.11 3.16 -0.72 0.00 -0.94 -5.10 105.19 104.19 1lxf n GLY 49 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.08 3.00 -0.77 1.61 -0.21 -0.50 -4.97 119.66 117.74 1lxf s GLN 50 Ca 0.00 -0.84 -0.00 0.00 0.02 0.00 0.00 55.36 54.54 1lxf s GLN 50 Cb 0.00 -2.72 0.19 0.00 1.00 0.00 0.00 33.01 31.48 1lxf s GLN 50 CO 0.00 -0.25 0.61 1.21 -2.12 0.00 0.00 175.29 174.74 1lxf s ASN 51 N 1.32 5.47 0.97 5.90 2.47 -1.26 0.13 114.94 129.93 1lxf s ASN 51 Ca 0.04 -3.50 -0.10 0.00 0.42 0.00 0.00 52.86 49.72 1lxf s ASN 51 Cb -0.14 -1.82 0.14 0.00 -1.45 0.00 0.00 41.25 37.97 1lxf s ASN 51 CO -0.10 -0.21 0.82 -0.81 -3.72 0.00 0.00 177.10 173.08 1lxf n PRO 52 N 2.58 -0.75 -4.01 0.43 -0.04 -1.26 -5.01 135.00 126.94 1lxf n PRO 52 Ca 0.17 -1.32 -0.26 0.00 -0.04 0.00 0.00 63.50 62.05 1lxf n PRO 52 Cb 0.36 -0.83 -0.03 0.00 -0.04 0.00 0.00 33.50 32.97 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 -2.75 1.79 -0.62 0.52 -4.23 -1.26 -4.95 115.64 104.15 1lxf s THR 53 Ca 0.47 -1.58 0.26 0.00 -1.18 0.00 0.00 61.69 59.66 1lxf s THR 53 Cb -0.01 -2.37 0.29 0.00 1.34 0.00 0.00 72.50 71.75 1lxf s THR 53 CO 0.33 0.00 1.75 1.55 -0.54 0.00 0.00 174.62 177.71 1lxf h PRO 54 N 0.97 0.00 0.06 3.99 0.13 -1.97 -1.16 132.00 134.02 1lxf h PRO 54 Ca -0.39 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.45 1lxf h PRO 54 Cb 1.29 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 1lxf h PRO 54 CO 0.62 0.00 -1.54 0.93 -0.23 0.00 0.00 178.00 177.78 1lxf h GLU 55 N 0.00 0.13 0.04 0.86 5.08 -1.95 -3.26 114.58 115.48 1lxf h GLU 55 Ca 0.00 -0.23 -0.14 0.00 -1.00 0.00 0.00 59.36 57.99 1lxf h GLU 55 Cb 0.71 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 1lxf h GLU 55 CO 0.00 0.91 -0.71 0.93 -1.00 0.00 0.00 179.01 179.15 1lxf h GLU 56 N 0.04 0.09 -0.46 2.33 4.39 -1.96 -3.35 114.58 115.66 1lxf h GLU 56 Ca -0.23 -0.16 0.09 0.00 0.34 0.00 0.00 59.36 59.40 1lxf h GLU 56 Cb 1.98 0.06 -0.10 0.00 -0.10 0.00 0.00 28.75 30.59 1lxf h GLU 56 CO 0.12 1.07 -0.33 -0.07 -1.16 0.00 0.00 179.01 178.65 1lxf h LEU 57 N -0.77 -1.12 -0.99 1.33 3.38 -1.38 0.34 115.31 116.10 1lxf h LEU 57 Ca -0.17 0.20 0.34 0.00 0.09 0.00 0.00 57.88 58.35 1lxf h LEU 57 Cb 1.32 0.53 -0.16 0.00 0.09 0.00 0.00 40.66 42.44 1lxf h LEU 57 CO -0.02 -0.32 0.48 -0.61 0.09 0.00 0.00 178.44 178.07 1lxf h GLN 58 N -0.23 0.17 -0.93 1.13 -0.00 -1.72 2.09 115.11 115.63 1lxf h GLN 58 Ca 0.19 -0.01 0.21 0.00 -0.00 0.00 0.00 58.65 59.04 1lxf h GLN 58 Cb 0.54 -0.04 -0.07 0.00 0.00 0.00 0.00 27.48 27.91 1lxf h GLN 58 CO -0.58 0.12 0.61 1.49 0.00 0.00 0.00 178.83 180.46 1lxf h GLU 59 N 0.18 0.43 0.00 1.69 4.81 -0.45 1.25 114.58 122.49 1lxf h GLU 59 Ca 0.74 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.95 1lxf h GLU 59 Cb 1.78 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 31.06 1lxf h GLU 59 CO -0.69 0.28 -0.05 0.52 -0.73 0.00 0.00 179.01 178.34 1lxf h MET 60 N 0.44 0.00 0.13 1.92 2.86 0.34 -3.27 114.93 117.35 1lxf h MET 60 Ca 0.50 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.87 1lxf h MET 60 Cb 1.19 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.88 1lxf h MET 60 CO -0.21 0.01 -1.11 0.82 1.06 0.00 0.00 176.91 177.48 1lxf h ILE 61 N 0.00 1.35 -0.92 -1.22 1.08 0.22 -3.33 117.51 114.69 1lxf h ILE 61 Ca -0.00 -2.47 0.16 0.00 -0.39 0.00 0.00 64.86 62.16 1lxf h ILE 61 Cb 1.01 2.86 -0.16 0.00 -3.07 0.00 0.00 36.82 37.46 1lxf h ILE 61 CO 0.00 0.73 -0.31 -0.67 -0.69 0.00 0.00 178.15 177.21 1lxf n ASP 62 N -3.91 -0.50 -0.20 1.72 -0.08 0.71 0.25 116.55 114.55 1lxf n ASP 62 Ca -0.14 1.60 -0.07 0.00 -1.51 0.00 0.00 54.79 54.67 1lxf n ASP 62 Cb 0.93 -0.41 -0.06 0.00 2.34 0.00 0.00 41.12 43.93 1lxf n ASP 62 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1lxf h GLU 63 N 0.00 -0.06 -0.01 -0.67 5.08 -1.74 0.42 114.58 117.61 1lxf h GLU 63 Ca 0.37 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.59 1lxf h GLU 63 Cb 0.60 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1lxf h GLU 63 CO -0.93 -0.04 -0.64 -0.39 -1.00 0.00 0.00 179.01 176.02 1lxf h VAL 64 N -0.06 1.45 0.00 3.13 -1.51 -1.02 -3.34 116.25 114.90 1lxf h VAL 64 Ca 0.08 -2.16 -0.52 0.00 -1.23 0.00 0.00 66.70 62.86 1lxf h VAL 64 Cb 0.26 2.16 0.02 0.00 -2.13 0.00 0.00 31.29 31.60 1lxf h VAL 64 CO -0.49 0.62 2.84 -0.67 -1.23 0.00 0.00 177.57 178.64 1lxf n ASP 65 N -3.79 5.05 0.00 4.19 2.03 0.70 -4.49 116.55 120.23 1lxf n ASP 65 Ca -0.01 -2.50 0.13 0.00 0.52 0.00 0.00 54.79 52.93 1lxf n ASP 65 Cb 0.63 -1.24 0.60 0.00 -0.72 0.00 0.00 41.12 40.39 1lxf n ASP 65 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1lxf n GLU 66 N 4.86 0.18 -0.05 -0.67 1.02 -1.23 -2.87 120.64 121.88 1lxf n GLU 66 Ca 0.53 0.05 0.02 0.00 -0.02 0.00 0.00 57.16 57.74 1lxf n GLU 66 Cb 0.23 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.20 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 -1.40 2.23 -2.65 1.62 5.68 -1.26 -4.97 116.55 115.80 1lxf n ASP 67 Ca 0.09 -2.17 -0.16 0.00 -0.50 0.00 0.00 54.79 52.05 1lxf n ASP 67 Cb 0.26 -0.11 -0.00 0.00 -1.14 0.00 0.00 41.12 40.13 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 -0.48 -0.50 0.02 6.12 0.00 -1.14 -4.79 105.19 104.42 1lxf n GLY 68 Ca 0.04 0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.96 0.09 0.00 1.61 3.41 -1.26 -4.84 113.62 110.66 1lxf n SER 69 Ca -0.13 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 1lxf n SER 69 Cb 0.60 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 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 0.28 0.17 3.18 5.00 0.00 -1.26 -4.93 105.19 107.63 1lxf n GLY 70 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.37 0.09 -0.28 2.61 -4.23 -1.26 -4.60 115.64 106.61 1lxf s THR 71 Ca 0.00 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 59.73 1lxf s THR 71 Cb 0.00 -0.78 0.08 0.00 1.34 0.00 0.00 72.50 73.14 1lxf s THR 71 CO 0.00 -0.43 0.04 -0.69 -0.54 0.00 0.00 174.62 173.00 1lxf s VAL 72 N -2.17 1.22 0.42 2.29 1.01 -1.25 -4.79 120.40 117.12 1lxf s VAL 72 Ca -0.08 -1.38 -0.06 0.00 0.00 0.00 0.00 61.98 60.46 1lxf s VAL 72 Cb -0.03 -1.77 0.10 0.00 0.00 0.00 0.00 36.38 34.68 1lxf s VAL 72 CO -0.02 -0.44 0.22 -0.90 0.00 0.00 0.00 175.10 173.96 1lxf n ASP 73 N 4.74 -2.20 -0.34 3.32 5.68 -1.25 0.16 116.55 126.65 1lxf n ASP 73 Ca -0.05 -0.22 0.07 0.00 -0.50 0.00 0.00 54.79 54.10 1lxf n ASP 73 Cb 0.43 -0.30 0.31 0.00 -1.14 0.00 0.00 41.12 40.43 1lxf n ASP 73 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 1lxf n PHE 74 N -3.54 0.18 0.00 2.11 -1.74 0.69 -3.83 117.46 111.33 1lxf n PHE 74 Ca 0.03 -0.09 0.00 0.00 -0.56 0.00 0.00 57.45 56.83 1lxf n PHE 74 Cb 0.15 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.15 1lxf n PHE 74 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95 1lxf n ASP 75 N -0.05 0.00 -0.43 5.98 9.92 -1.26 -3.96 116.55 126.75 1lxf n ASP 75 Ca 0.12 0.02 0.40 0.00 -0.53 0.00 0.00 54.79 54.79 1lxf n ASP 75 Cb 0.20 -0.22 0.68 0.00 -0.64 0.00 0.00 41.12 41.14 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 0.00 0.67 -1.24 4.11 -1.93 0.29 114.58 116.47 1lxf h GLU 76 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 1lxf h GLU 76 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1lxf h GLU 76 CO 0.00 0.00 -0.32 0.35 0.07 0.00 0.00 179.01 179.11 1lxf h PHE 77 N 0.00 -0.83 -0.49 2.06 3.57 -1.78 -0.00 116.94 119.46 1lxf h PHE 77 Ca 0.68 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 62.25 1lxf h PHE 77 Cb 3.07 0.27 -0.08 0.00 2.79 0.00 0.00 35.95 42.00 1lxf h PHE 77 CO 0.00 -0.52 -0.03 -0.07 -2.23 0.00 0.00 178.31 175.46 1lxf h LEU 78 N -1.21 -0.27 0.14 0.59 3.38 -0.58 -1.81 115.31 115.54 1lxf h LEU 78 Ca -0.09 0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1lxf h LEU 78 Cb 0.69 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 1lxf h LEU 78 CO 0.15 -0.10 -0.22 0.58 0.09 0.00 0.00 178.44 178.95 1lxf h VAL 79 N 0.08 0.51 -0.97 1.22 2.07 -1.37 -1.69 116.25 116.10 1lxf h VAL 79 Ca 0.24 0.00 0.32 0.00 0.82 0.00 0.00 66.70 68.08 1lxf h VAL 79 Cb 0.37 0.51 -0.16 0.00 -1.52 0.00 0.00 31.29 30.49 1lxf h VAL 79 CO -0.43 0.00 0.42 -0.03 0.02 0.00 0.00 177.57 177.54 1lxf h MET 80 N -0.43 0.17 0.52 1.57 1.85 -0.16 -0.77 114.93 117.69 1lxf h MET 80 Ca 0.02 -0.01 -0.03 0.00 -0.61 0.00 0.00 59.70 59.07 1lxf h MET 80 Cb 0.44 -0.04 0.01 0.00 0.43 0.00 0.00 31.60 32.43 1lxf h MET 80 CO -0.11 0.11 -0.25 0.52 -0.40 0.00 0.00 176.91 176.79 1lxf h MET 81 N 0.18 -0.68 -1.11 0.39 2.07 -0.80 -2.89 114.93 112.09 1lxf h MET 81 Ca 0.70 0.05 0.32 0.00 -2.07 0.00 0.00 59.70 58.70 1lxf h MET 81 Cb 1.63 0.15 -0.04 0.00 -1.87 0.00 0.00 31.60 31.47 1lxf h MET 81 CO -0.70 -0.45 1.09 0.28 1.07 0.00 0.00 176.91 178.20 1lxf h VAL 82 N -0.91 0.10 -0.02 -2.22 2.07 -0.44 2.10 116.25 116.93 1lxf h VAL 82 Ca -0.07 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.24 1lxf h VAL 82 Cb 0.54 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1lxf h VAL 82 CO 0.12 0.00 -0.87 -0.09 0.02 0.00 0.00 177.57 176.75 1lxf h ARG 83 N 0.00 0.36 0.00 1.57 2.43 -1.04 -3.11 114.38 114.59 1lxf h ARG 83 Ca 0.53 -0.36 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1lxf h ARG 83 Cb 2.70 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 32.35 1lxf h ARG 83 CO -0.01 1.03 -0.32 0.00 -1.51 0.00 0.00 179.97 179.16 1lxf h MET 85 N 0.00 0.85 -0.05 0.00 2.86 -0.94 -2.91 114.93 114.74 1lxf h MET 85 Ca 0.00 -0.34 -0.18 0.00 -2.06 0.00 0.00 59.70 57.12 1lxf h MET 85 Cb 0.72 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 1lxf h MET 85 CO 0.00 0.98 -0.74 0.87 1.06 0.00 0.00 176.91 179.08 1lxf h LYS 86 N 0.74 0.29 -1.44 1.72 6.56 -1.63 -3.45 116.57 119.36 1lxf h LYS 86 Ca 0.10 -0.25 0.13 0.00 -1.06 0.00 0.00 60.65 59.58 1lxf h LYS 86 Cb 0.74 0.05 -0.22 0.00 -0.57 0.00 0.00 32.23 32.23 1lxf h LYS 86 CO 0.06 0.90 0.04 -0.51 -2.06 0.00 0.00 179.45 177.88 1lxf s ASP 87 N -6.94 -0.87 -0.02 0.86 1.01 -1.11 -5.14 116.67 104.45 1lxf s ASP 87 Ca -0.04 1.14 -0.30 0.00 0.71 0.00 0.00 52.55 54.06 1lxf s ASP 87 Cb 0.11 1.97 -0.03 0.00 1.01 0.00 0.00 42.92 45.98 1lxf s ASP 87 CO 0.82 -0.17 0.98 -0.62 0.21 0.00 0.00 175.17 176.40 1lxf s ASP 88 N 2.69 7.34 0.00 0.27 -1.08 -1.13 -4.37 116.67 120.38 1lxf s ASP 88 Ca -0.03 1.62 0.00 0.00 -0.52 0.00 0.00 52.55 53.62 1lxf s ASP 88 Cb -0.09 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.80 1lxf s ASP 88 CO -0.18 -0.29 0.00 -1.20 0.52 0.00 0.00 175.17 174.02