#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ilo s MET 2 N 0.00 3.83 -0.18 2.12 -2.45 0.70 -4.77 119.30 118.55 1ilo s MET 2 Ca 0.00 0.59 -0.29 0.00 -1.25 0.00 0.00 55.69 54.73 1ilo s MET 2 Cb 0.00 -3.81 -0.03 0.00 1.25 0.00 0.00 34.83 32.24 1ilo s MET 2 CO 0.00 -0.98 1.60 0.15 1.05 0.00 0.00 175.02 176.84 1ilo s LYS 3 N 3.55 3.91 -0.09 4.11 1.02 -1.26 -1.87 119.74 129.10 1ilo s LYS 3 Ca 0.39 1.77 0.03 0.00 0.02 0.00 0.00 55.97 58.18 1ilo s LYS 3 Cb -0.12 -4.00 0.01 0.00 -0.52 0.00 0.00 37.83 33.20 1ilo s LYS 3 CO 0.19 -1.16 -0.18 0.42 -0.92 0.00 0.00 175.35 173.71 1ilo s ILE 4 N 4.84 1.61 -0.01 2.17 1.09 -0.77 0.82 121.20 130.95 1ilo s ILE 4 Ca 0.71 -0.74 0.03 0.00 -1.10 0.00 0.00 60.65 59.55 1ilo s ILE 4 Cb -0.26 -1.43 -0.03 0.00 -1.06 0.00 0.00 42.46 39.67 1ilo s ILE 4 CO 0.28 0.46 -0.08 -1.10 -0.10 0.00 0.00 174.94 174.41 1ilo s GLN 5 N 0.67 2.58 -0.22 2.79 -0.21 0.92 -1.74 119.66 124.45 1ilo s GLN 5 Ca -0.13 -0.69 0.00 0.00 0.02 0.00 0.00 55.36 54.56 1ilo s GLN 5 Cb -0.16 -2.50 0.06 0.00 1.00 0.00 0.00 33.01 31.40 1ilo s GLN 5 CO 0.03 0.62 -0.04 0.96 -2.12 0.00 0.00 175.29 174.74 1ilo s ILE 6 N -0.94 1.34 -0.40 1.08 -4.36 -1.12 -2.20 121.20 114.60 1ilo s ILE 6 Ca 0.16 -1.08 -0.15 0.00 -0.26 0.00 0.00 60.65 59.32 1ilo s ILE 6 Cb -0.11 -1.64 0.02 0.00 1.25 0.00 0.00 42.46 41.97 1ilo s ILE 6 CO 0.06 -0.11 0.29 -0.31 0.24 0.00 0.00 174.94 175.11 1ilo s TYR 7 N 1.48 3.24 0.00 1.37 2.02 0.17 -2.70 117.35 122.94 1ilo s TYR 7 Ca -0.05 -0.56 0.00 0.00 -0.37 0.00 0.00 57.07 56.10 1ilo s TYR 7 Cb -0.18 -2.57 0.00 0.00 -0.40 0.00 0.00 41.96 38.80 1ilo s TYR 7 CO -0.07 -0.56 0.00 0.41 -1.57 0.00 0.00 175.55 173.76 1ilo n GLY 8 N 5.15 -1.99 1.86 0.71 0.00 -1.26 -2.78 105.19 106.89 1ilo n GLY 8 Ca -0.11 0.66 -0.02 0.00 0.00 0.00 0.00 46.02 46.55 1ilo n GLY 8 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ilo n THR 9 N 0.00 -4.43 0.00 2.61 -1.04 -1.26 -4.27 114.28 105.89 1ilo n THR 9 Ca 0.00 0.23 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 1ilo n THR 9 Cb 0.00 -4.88 0.00 0.00 -1.82 0.00 0.00 70.33 63.63 1ilo n THR 9 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ilo n GLY 10 N -0.46 1.13 0.00 3.41 0.00 -1.26 -4.54 105.19 103.47 1ilo n GLY 10 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1ilo n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ilo n ALA 12 N -2.32 0.86 1.06 0.00 0.00 -1.26 -4.85 120.51 114.00 1ilo n ALA 12 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1ilo n ALA 12 Cb 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.22 1ilo n ALA 12 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ilo n ASN 13 N -0.90 0.58 0.28 0.00 5.03 -1.26 -4.06 115.26 114.93 1ilo n ASN 13 Ca 0.12 -1.64 0.18 0.00 0.87 0.00 0.00 54.58 54.11 1ilo n ASN 13 Cb 0.45 -0.29 0.90 0.00 -1.02 0.00 0.00 39.78 39.82 1ilo n ASN 13 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ilo h GLN 15 N 0.00 0.89 0.61 0.00 3.07 -1.93 0.29 115.11 118.04 1ilo h GLN 15 Ca 0.04 -0.05 -0.03 0.00 0.09 0.00 0.00 58.65 58.70 1ilo h GLN 15 Cb 0.54 -0.20 0.01 0.00 0.08 0.00 0.00 27.48 27.90 1ilo h GLN 15 CO -0.00 0.59 -0.29 0.52 0.09 0.00 0.00 178.83 179.74 1ilo h MET 16 N 0.92 -0.79 -0.64 0.06 2.86 -1.55 -2.47 114.93 113.32 1ilo h MET 16 Ca 0.33 0.05 0.02 0.00 -2.06 0.00 0.00 59.70 58.05 1ilo h MET 16 Cb 0.15 0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 1ilo h MET 16 CO -0.11 -0.53 0.42 1.25 1.06 0.00 0.00 176.91 179.00 1ilo h LEU 17 N -0.98 0.68 -0.92 1.22 7.12 -1.66 -1.79 115.31 118.97 1ilo h LEU 17 Ca -0.08 -0.01 0.07 0.00 0.13 0.00 0.00 57.88 57.98 1ilo h LEU 17 Cb 0.63 -0.16 -0.07 0.00 -0.53 0.00 0.00 40.66 40.53 1ilo h LEU 17 CO 0.14 0.48 0.58 -0.08 -0.13 0.00 0.00 178.44 179.43 1ilo h GLU 18 N 0.80 1.01 0.06 1.25 4.81 -0.40 0.55 114.58 122.66 1ilo h GLU 18 Ca 0.25 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1ilo h GLU 18 Cb 0.01 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.16 1ilo h GLU 18 CO -0.06 0.67 -0.03 -0.22 -0.73 0.00 0.00 179.01 178.63 1ilo h LYS 19 N 1.04 -0.08 -0.45 1.92 3.64 -0.86 -2.84 116.57 118.93 1ilo h LYS 19 Ca 0.41 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.73 1ilo h LYS 19 Cb 0.21 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1ilo h LYS 19 CO -0.19 0.49 0.02 -2.95 -2.27 0.00 0.00 179.45 174.55 1ilo h ASN 20 N -0.76 0.68 -0.48 4.20 7.08 -1.24 -2.90 115.58 122.16 1ilo h ASN 20 Ca -0.01 -0.15 -0.02 0.00 -3.08 0.00 0.00 56.30 53.05 1ilo h ASN 20 Cb 0.61 -0.18 -0.02 0.00 -2.08 0.00 0.00 38.32 36.65 1ilo h ASN 20 CO 0.01 0.74 0.23 0.00 -2.08 0.00 0.00 177.43 176.33 1ilo h ALA 21 N 1.35 0.62 -0.53 4.14 0.00 0.02 0.87 119.26 125.72 1ilo h ALA 21 Ca 0.14 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1ilo h ALA 21 Cb 0.39 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1ilo h ALA 21 CO 0.01 0.19 0.31 0.00 0.00 0.00 0.00 179.25 179.76 1ilo h ARG 22 N 0.63 0.60 -0.07 0.00 3.08 -1.30 0.42 114.38 117.75 1ilo h ARG 22 Ca 0.16 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 1ilo h ARG 22 Cb 0.13 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1ilo h ARG 22 CO -0.02 0.40 -0.14 1.05 -1.07 0.00 0.00 179.97 180.18 1ilo h GLU 23 N 0.62 0.21 -0.00 0.04 4.11 -1.38 -2.96 114.58 115.22 1ilo h GLU 23 Ca 0.22 -0.14 -0.00 0.00 0.07 0.00 0.00 59.36 59.50 1ilo h GLU 23 Cb 0.03 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1ilo h GLU 23 CO -0.10 0.74 0.00 0.00 0.07 0.00 0.00 179.01 179.72 1ilo h ALA 24 N 0.48 0.00 0.03 1.06 0.00 -0.68 0.69 119.26 120.83 1ilo h ALA 24 Ca 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1ilo h ALA 24 Cb 0.73 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1ilo h ALA 24 CO 0.03 -0.43 -0.32 -0.24 0.00 0.00 0.00 179.25 178.29 1ilo h VAL 25 N -0.13 0.31 -0.42 0.00 3.04 -0.25 0.71 116.25 119.50 1ilo h VAL 25 Ca 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 66.70 65.56 1ilo h VAL 25 Cb 0.13 0.31 -0.01 0.00 -2.01 0.00 0.00 31.29 29.71 1ilo h VAL 25 CO -0.00 0.00 -0.25 0.50 -1.01 0.00 0.00 177.57 176.81 1ilo h LYS 26 N -0.49 0.91 -0.19 4.17 3.11 -1.26 -2.62 116.57 120.21 1ilo h LYS 26 Ca 0.05 -0.42 0.00 0.00 -2.81 0.00 0.00 60.65 57.48 1ilo h LYS 26 Cb 0.56 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.77 1ilo h LYS 26 CO -0.25 1.07 0.12 1.49 -2.81 0.00 0.00 179.45 179.08 1ilo h GLU 27 N 0.74 0.26 0.00 1.90 4.81 0.84 -1.47 114.58 121.65 1ilo h GLU 27 Ca 0.09 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1ilo h GLU 27 Cb 0.82 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.15 1ilo h GLU 27 CO 0.07 0.18 0.30 -0.07 -0.73 0.00 0.00 179.01 178.76 1ilo h LEU 28 N 0.25 0.00 0.00 1.64 3.38 0.41 -3.43 115.31 117.56 1ilo h LEU 28 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ilo h LEU 28 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1ilo h LEU 28 CO -0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.13 1ilo n GLY 29 N -1.22 0.95 3.15 0.83 0.00 -0.58 -5.10 105.19 103.23 1ilo n GLY 29 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.06 1ilo n GLY 29 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ilo s ILE 30 N -1.51 -0.22 1.02 -0.61 -4.36 -0.99 -5.02 121.20 109.52 1ilo s ILE 30 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 60.65 60.28 1ilo s ILE 30 Cb 0.00 -0.73 0.21 0.00 1.25 0.00 0.00 42.46 43.19 1ilo s ILE 30 CO 0.00 0.00 1.09 -0.62 0.24 0.00 0.00 174.94 175.65 1ilo s ASP 31 N 2.97 2.08 0.35 4.36 -1.08 -1.26 -2.18 116.67 121.91 1ilo s ASP 31 Ca 0.07 1.86 -0.02 0.00 -0.52 0.00 0.00 52.55 53.94 1ilo s ASP 31 Cb -0.07 -2.44 0.00 0.00 -1.46 0.00 0.00 42.92 38.96 1ilo s ASP 31 CO -0.14 -3.57 0.48 0.00 0.52 0.00 0.00 175.17 172.46 1ilo s ALA 32 N -2.58 0.83 -0.18 3.66 0.00 -1.26 0.14 121.76 122.37 1ilo s ALA 32 Ca 0.67 -1.56 -0.03 0.00 0.00 0.00 0.00 51.96 51.05 1ilo s ALA 32 Cb -0.23 1.16 0.06 0.00 0.00 0.00 0.00 23.12 24.10 1ilo s ALA 32 CO 0.61 -0.79 0.03 -1.83 0.00 0.00 0.00 175.76 173.78 1ilo s GLU 33 N -2.96 0.66 -0.42 0.00 -1.05 -0.78 -4.75 118.70 109.40 1ilo s GLU 33 Ca 0.31 -0.38 -0.16 0.00 -0.15 0.00 0.00 54.97 54.58 1ilo s GLU 33 Cb -0.01 -2.02 0.02 0.00 -0.44 0.00 0.00 34.13 31.69 1ilo s GLU 33 CO 0.21 -0.61 0.39 -0.06 0.95 0.00 0.00 175.26 176.14 1ilo s PHE 34 N 1.87 3.20 -0.19 4.83 0.40 -1.26 -1.84 117.98 124.98 1ilo s PHE 34 Ca -0.00 -0.49 -0.04 0.00 -0.60 0.00 0.00 56.93 55.80 1ilo s PHE 34 Cb -0.17 -2.82 -0.02 0.00 0.51 0.00 0.00 43.02 40.53 1ilo s PHE 34 CO -0.08 -0.68 -0.03 -2.00 0.70 0.00 0.00 175.22 173.14 1ilo s GLU 35 N 1.96 3.54 0.09 0.44 2.12 -0.71 -5.02 118.70 121.13 1ilo s GLU 35 Ca 0.09 -0.56 -0.13 0.00 0.36 0.00 0.00 54.97 54.73 1ilo s GLU 35 Cb -0.18 -3.00 -0.06 0.00 0.26 0.00 0.00 34.13 31.15 1ilo s GLU 35 CO 0.12 0.01 0.46 0.21 -0.54 0.00 0.00 175.26 175.52 1ilo s LYS 36 N 0.98 3.88 0.44 4.30 2.36 -1.26 -2.81 119.74 127.64 1ilo s LYS 36 Ca 0.01 0.35 0.06 0.00 -2.55 0.00 0.00 55.97 53.83 1ilo s LYS 36 Cb -0.14 -3.01 -0.05 0.00 -1.05 0.00 0.00 37.83 33.57 1ilo s LYS 36 CO 0.01 0.55 0.05 0.96 1.55 0.00 0.00 175.35 178.47 1ilo s ILE 37 N -1.37 1.85 -0.48 5.43 -0.00 -1.10 -4.96 121.20 120.56 1ilo s ILE 37 Ca 0.33 -1.92 0.06 0.00 -0.00 0.00 0.00 60.65 59.12 1ilo s ILE 37 Cb -0.15 -2.77 0.21 0.00 -0.00 0.00 0.00 42.46 39.75 1ilo s ILE 37 CO 0.18 0.00 0.72 1.17 -0.00 0.00 0.00 174.94 177.01 1ilo n LYS 38 N -1.12 0.60 0.00 0.37 0.00 -1.26 -4.27 118.16 112.48 1ilo n LYS 38 Ca -0.07 -2.17 0.00 0.00 0.00 0.00 0.00 58.31 56.06 1ilo n LYS 38 Cb 0.66 -1.47 0.00 0.00 0.00 0.00 0.00 35.03 34.23 1ilo n LYS 38 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1ilo n GLU 39 N 2.30 0.00 0.31 1.64 1.02 -1.26 -4.98 120.64 119.68 1ilo n GLU 39 Ca 0.16 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.47 1ilo n GLU 39 Cb 0.57 0.00 0.85 0.00 -0.02 0.00 0.00 31.44 32.85 1ilo n GLU 39 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ilo h MET 40 N 0.00 0.00 -0.71 3.49 -0.00 -1.99 -0.92 114.93 114.80 1ilo h MET 40 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 59.70 59.84 1ilo h MET 40 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 31.60 31.51 1ilo h MET 40 CO 0.00 0.00 0.24 -0.44 -0.00 0.00 0.00 176.91 176.71 1ilo h ASP 41 N 0.00 0.18 0.59 -0.10 3.32 -1.99 1.04 116.42 119.47 1ilo h ASP 41 Ca 0.02 0.11 -0.28 0.00 0.02 0.00 0.00 57.03 56.90 1ilo h ASP 41 Cb 0.63 0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.26 1ilo h ASP 41 CO -0.00 0.07 -1.51 1.56 -1.72 0.00 0.00 179.24 177.64 1ilo h GLN 42 N 0.38 0.07 0.51 3.56 1.08 -1.58 -3.15 115.11 115.97 1ilo h GLN 42 Ca 0.39 -0.11 -0.02 0.00 -1.45 0.00 0.00 58.65 57.45 1ilo h GLN 42 Cb 0.59 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.07 1ilo h GLN 42 CO -0.41 0.79 -0.24 0.82 -0.95 0.00 0.00 178.83 178.83 1ilo h ILE 43 N 0.02 0.45 -0.54 2.54 2.04 -0.74 -3.08 117.51 118.21 1ilo h ILE 43 Ca -0.22 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.33 1ilo h ILE 43 Cb 1.95 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 38.57 1ilo h ILE 43 CO 0.11 0.04 0.18 0.17 0.00 0.00 0.00 178.15 178.65 1ilo h LEU 44 N -0.86 0.73 -2.21 1.44 -0.00 0.89 -1.64 115.31 113.65 1ilo h LEU 44 Ca -0.07 -0.10 0.05 0.00 -0.00 0.00 0.00 57.88 57.76 1ilo h LEU 44 Cb 0.59 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 41.06 1ilo h LEU 44 CO 0.11 0.68 0.25 -0.08 -0.00 0.00 0.00 178.44 179.41 1ilo h GLU 45 N 0.78 0.00 0.09 0.17 4.57 -1.50 0.51 114.58 119.20 1ilo h GLU 45 Ca 0.18 0.00 -0.24 0.00 -1.18 0.00 0.00 59.36 58.12 1ilo h GLU 45 Cb 0.21 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.82 1ilo h GLU 45 CO -0.01 0.00 -1.00 0.00 -1.18 0.00 0.00 179.01 176.82 1ilo h ALA 46 N 1.66 0.00 0.00 2.92 0.00 -1.21 -3.48 119.26 119.16 1ilo h ALA 46 Ca 0.08 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1ilo h ALA 46 Cb 0.58 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1ilo h ALA 46 CO -0.00 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.21 1ilo n GLY 47 N 1.34 1.00 3.84 0.00 0.00 0.17 -4.70 105.19 106.84 1ilo n GLY 47 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 1ilo n GLY 47 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ilo s LEU 48 N 0.00 3.39 -0.02 0.99 2.34 -1.26 -5.00 118.68 119.13 1ilo s LEU 48 Ca 0.00 1.57 0.05 0.00 0.06 0.00 0.00 54.13 55.82 1ilo s LEU 48 Cb 0.00 -4.50 -0.08 0.00 -0.56 0.00 0.00 46.19 41.05 1ilo s LEU 48 CO 0.00 -0.93 0.09 0.41 -1.06 0.00 0.00 176.35 174.87 1ilo n THR 49 N -2.30 0.10 -1.88 5.48 -1.04 -1.26 -4.61 114.28 108.77 1ilo n THR 49 Ca 0.07 -0.15 -0.29 0.00 -2.04 0.00 0.00 64.05 61.64 1ilo n THR 49 Cb 0.54 0.03 0.10 0.00 -1.82 0.00 0.00 70.33 69.18 1ilo n THR 49 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ilo s ALA 50 N -2.32 2.57 0.00 2.41 0.00 -1.26 -5.02 121.76 118.14 1ilo s ALA 50 Ca -0.02 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1ilo s ALA 50 Cb 0.03 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 20.20 1ilo s ALA 50 CO 0.23 -1.76 0.40 1.28 0.00 0.00 0.00 175.76 175.90 1ilo n LEU 51 N -3.37 0.02 -3.16 0.00 4.32 -1.26 -4.08 117.00 109.46 1ilo n LEU 51 Ca 0.08 0.70 -0.20 0.00 -0.02 0.00 0.00 56.01 56.57 1ilo n LEU 51 Cb 0.61 -0.50 -0.02 0.00 -1.62 0.00 0.00 43.42 41.90 1ilo n LEU 51 CO 0.56 -0.50 2.20 -0.81 -1.22 0.00 0.00 177.39 177.63 1ilo n PRO 52 N -1.99 1.83 -2.89 3.23 -0.04 -1.23 -4.36 135.00 129.56 1ilo n PRO 52 Ca 0.00 -1.35 -0.41 0.00 -0.04 0.00 0.00 63.50 61.70 1ilo n PRO 52 Cb 0.00 -2.40 -0.04 0.00 -0.04 0.00 0.00 33.50 31.02 1ilo n PRO 52 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1ilo s GLY 53 N 3.62 2.63 -0.27 0.55 0.00 -1.12 -3.81 107.32 108.92 1ilo s GLY 53 Ca 0.35 0.27 0.02 0.00 0.00 0.00 0.00 44.72 45.36 1ilo s GLY 53 CO -0.03 1.46 -0.06 -2.27 0.00 0.00 0.00 173.10 172.21 1ilo s LEU 54 N 1.13 3.39 -0.24 0.66 0.20 0.43 -0.66 118.68 123.60 1ilo s LEU 54 Ca 0.43 -1.48 -0.12 0.00 0.69 0.00 0.00 54.13 53.66 1ilo s LEU 54 Cb -0.19 -1.44 -0.05 0.00 -0.43 0.00 0.00 46.19 44.09 1ilo s LEU 54 CO 0.21 -0.24 0.22 0.00 -0.29 0.00 0.00 176.35 176.24 1ilo s ALA 55 N 1.16 3.59 -0.05 5.97 0.00 -0.94 -3.06 121.76 128.44 1ilo s ALA 55 Ca -0.04 -0.83 0.04 0.00 0.00 0.00 0.00 51.96 51.13 1ilo s ALA 55 Cb -0.19 -2.41 -0.02 0.00 0.00 0.00 0.00 23.12 20.49 1ilo s ALA 55 CO -0.07 -0.26 -0.16 0.14 0.00 0.00 0.00 175.76 175.42 1ilo s VAL 56 N 1.20 2.94 -0.63 0.00 -7.23 -1.10 -0.05 120.40 115.52 1ilo s VAL 56 Ca 0.10 -0.77 0.00 0.00 -1.81 0.00 0.00 61.98 59.50 1ilo s VAL 56 Cb -0.14 -2.14 0.00 0.00 0.56 0.00 0.00 36.38 34.66 1ilo s VAL 56 CO 0.06 0.59 0.00 0.47 -0.31 0.00 0.00 175.10 175.91 1ilo n ASP 57 N 2.37 -2.35 -0.85 4.85 9.92 0.24 0.10 116.55 130.84 1ilo n ASP 57 Ca -0.17 0.28 -0.05 0.00 -0.53 0.00 0.00 54.79 54.32 1ilo n ASP 57 Cb 0.52 -2.17 0.01 0.00 -0.64 0.00 0.00 41.12 38.84 1ilo n ASP 57 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ilo n GLY 58 N -0.49 0.42 2.71 0.44 0.00 -1.26 -5.01 105.19 102.00 1ilo n GLY 58 Ca -0.08 -0.59 -0.20 0.00 0.00 0.00 0.00 46.02 45.16 1ilo n GLY 58 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ilo s GLU 59 N -4.77 0.25 0.20 1.61 2.56 0.29 -5.13 118.70 113.71 1ilo s GLU 59 Ca 0.07 -0.12 -0.33 0.00 0.00 0.00 0.00 54.97 54.59 1ilo s GLU 59 Cb -0.03 -0.95 -0.14 0.00 2.00 0.00 0.00 34.13 35.01 1ilo s GLU 59 CO 0.08 -0.91 1.46 1.28 -0.56 0.00 0.00 175.26 176.62 1ilo n LEU 60 N 5.30 2.99 0.00 2.70 7.99 -1.26 -2.72 117.00 131.99 1ilo n LEU 60 Ca -0.04 1.12 0.00 0.00 -0.01 0.00 0.00 56.01 57.08 1ilo n LEU 60 Cb 0.46 -1.41 0.00 0.00 -0.11 0.00 0.00 43.42 42.36 1ilo n LEU 60 CO 0.04 -0.46 0.01 1.17 -1.51 0.00 0.00 177.39 176.63 1ilo n LYS 61 N 2.57 0.22 -3.67 3.23 4.81 -1.17 -4.95 118.16 119.20 1ilo n LYS 61 Ca 0.14 -0.02 -0.08 0.00 -0.87 0.00 0.00 58.31 57.49 1ilo n LYS 61 Cb 0.30 -0.27 -0.09 0.00 0.02 0.00 0.00 35.03 34.98 1ilo n LYS 61 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 1ilo s ILE 62 N -0.04 -0.42 -0.09 3.15 -4.36 -1.24 -5.01 121.20 113.20 1ilo s ILE 62 Ca 0.00 0.10 -0.06 0.00 -0.26 0.00 0.00 60.65 60.43 1ilo s ILE 62 Cb 0.00 -0.74 0.03 0.00 1.25 0.00 0.00 42.46 43.00 1ilo s ILE 62 CO 0.00 0.04 0.21 -0.04 0.24 0.00 0.00 174.94 175.39 1ilo s MET 63 N 2.15 0.20 0.00 0.37 1.00 -1.26 -0.43 119.30 121.34 1ilo s MET 63 Ca -0.06 0.40 0.00 0.00 0.00 0.00 0.00 55.69 56.03 1ilo s MET 63 Cb -0.10 -0.02 0.00 0.00 0.00 0.00 0.00 34.83 34.71 1ilo s MET 63 CO -0.15 -0.10 0.00 0.41 0.00 0.00 0.00 175.02 175.18 1ilo n GLY 64 N 3.65 1.29 3.15 -0.03 0.00 -1.25 -4.86 105.19 107.15 1ilo n GLY 64 Ca -0.20 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.88 1ilo n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ilo s ARG 65 N -0.01 0.05 0.29 1.61 0.52 -1.26 -4.87 118.95 115.28 1ilo s ARG 65 Ca 0.00 0.05 -0.29 0.00 -0.52 0.00 0.00 55.73 54.96 1ilo s ARG 65 Cb 0.00 0.02 -0.10 0.00 0.52 0.00 0.00 34.95 35.39 1ilo s ARG 65 CO 0.00 -0.08 1.41 0.54 0.02 0.00 0.00 175.30 177.18 1ilo s VAL 66 N 2.99 2.58 0.98 3.52 0.11 -1.26 -4.92 120.40 124.40 1ilo s VAL 66 Ca 0.30 0.53 -0.11 0.00 -2.93 0.00 0.00 61.98 59.77 1ilo s VAL 66 Cb -0.00 -3.34 0.18 0.00 -1.53 0.00 0.00 36.38 31.69 1ilo s VAL 66 CO -0.22 0.10 1.09 0.00 -3.33 0.00 0.00 175.10 172.75 1ilo s ALA 67 N -0.52 0.90 0.75 1.54 0.00 -1.26 -4.89 121.76 118.28 1ilo s ALA 67 Ca 0.55 0.16 -0.01 0.00 0.00 0.00 0.00 51.96 52.67 1ilo s ALA 67 Cb -0.42 -3.30 0.15 0.00 0.00 0.00 0.00 23.12 19.54 1ilo s ALA 67 CO 0.49 -2.95 1.01 -1.13 0.00 0.00 0.00 175.76 173.18 1ilo n SER 68 N -4.33 1.33 -0.00 0.00 3.41 -1.26 -4.11 113.62 108.66 1ilo n SER 68 Ca 0.07 -2.13 -0.12 0.00 -0.26 0.00 0.00 58.87 56.43 1ilo n SER 68 Cb 0.54 -0.66 -0.07 0.00 -0.26 0.00 0.00 64.21 63.76 1ilo n SER 68 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1ilo h LYS 69 N 0.00 0.08 -0.01 4.33 2.10 -1.96 0.09 116.57 121.21 1ilo h LYS 69 Ca -0.33 -0.02 -0.13 0.00 -2.00 0.00 0.00 60.65 58.17 1ilo h LYS 69 Cb 1.23 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 32.53 1ilo h LYS 69 CO 0.36 0.26 -0.59 1.49 -2.00 0.00 0.00 179.45 178.97 1ilo h GLU 70 N -0.11 0.02 0.06 0.07 4.81 -1.99 -2.94 114.58 114.49 1ilo h GLU 70 Ca 0.02 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ilo h GLU 70 Cb 0.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1ilo h GLU 70 CO -0.00 0.61 -0.03 0.93 -0.73 0.00 0.00 179.01 179.79 1ilo h GLU 71 N 0.01 -0.07 -0.54 1.92 4.39 -1.92 -2.69 114.58 115.68 1ilo h GLU 71 Ca -0.01 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.77 1ilo h GLU 71 Cb 1.05 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.66 1ilo h GLU 71 CO 0.08 0.46 0.23 0.97 -1.16 0.00 0.00 179.01 179.59 1ilo h ILE 72 N -0.66 0.87 -0.70 3.13 -0.00 -1.03 0.11 117.51 119.23 1ilo h ILE 72 Ca -0.01 -0.15 0.00 0.00 -0.00 0.00 0.00 64.86 64.70 1ilo h ILE 72 Cb 0.56 0.39 -0.03 0.00 -0.00 0.00 0.00 36.82 37.74 1ilo h ILE 72 CO 0.01 0.08 0.44 0.50 -0.00 0.00 0.00 178.15 179.19 1ilo h LYS 73 N 0.44 0.93 -0.00 2.19 3.64 -1.59 -0.26 116.57 121.92 1ilo h LYS 73 Ca 0.26 -0.07 -0.15 0.00 -1.27 0.00 0.00 60.65 59.42 1ilo h LYS 73 Cb 0.24 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1ilo h LYS 73 CO -0.23 0.64 -0.71 0.87 -2.27 0.00 0.00 179.45 177.75 1ilo h LYS 74 N 0.96 0.01 0.00 1.90 1.79 -0.88 -2.06 116.57 118.29 1ilo h LYS 74 Ca 0.25 -0.01 -0.16 0.00 -2.18 0.00 0.00 60.65 58.55 1ilo h LYS 74 Cb -0.08 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.55 1ilo h LYS 74 CO -0.05 0.71 -0.77 0.82 -1.08 0.00 0.00 179.45 179.08 1ilo h ILE 75 N 0.01 1.52 0.04 1.86 5.03 0.03 -3.18 117.51 122.81 1ilo h ILE 75 Ca -0.01 -2.67 -0.23 0.00 -0.12 0.00 0.00 64.86 61.83 1ilo h ILE 75 Cb 1.25 2.45 -0.02 0.00 -3.03 0.00 0.00 36.82 37.47 1ilo h ILE 75 CO 0.09 0.76 -1.06 -0.07 -0.68 0.00 0.00 178.15 177.18 1ilo h LEU 76 N 0.00 0.13 0.00 1.44 -0.00 -0.99 -3.51 115.31 112.39 1ilo h LEU 76 Ca -0.01 -0.14 0.00 0.00 -0.00 0.00 0.00 57.88 57.73 1ilo h LEU 76 Cb 1.39 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 42.01 1ilo h LEU 76 CO 0.10 1.10 0.00 -0.24 -0.00 0.00 0.00 178.44 179.40