#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 4.04 -0.71 2.12 1.00 0.47 -4.82 119.30 121.40 1ilo s MET 2 Ca 0.00 1.01 -0.27 0.00 0.00 0.00 0.00 55.69 56.43 1ilo s MET 2 Cb 0.00 -3.74 0.03 0.00 0.00 0.00 0.00 34.83 31.12 1ilo s MET 2 CO 0.00 -0.90 1.27 0.15 0.00 0.00 0.00 175.02 175.54 1ilo s LYS 3 N 3.62 3.24 -0.19 2.03 3.01 -1.26 -0.77 119.74 129.42 1ilo s LYS 3 Ca 0.44 -0.14 -0.04 0.00 -1.01 0.00 0.00 55.97 55.22 1ilo s LYS 3 Cb -0.12 -4.15 -0.02 0.00 -1.01 0.00 0.00 37.83 32.52 1ilo s LYS 3 CO 0.16 -2.08 -0.03 0.42 0.51 0.00 0.00 175.35 174.33 1ilo s ILE 4 N 5.65 3.72 -0.12 2.17 1.01 -0.94 -0.01 121.20 132.68 1ilo s ILE 4 Ca 0.37 -0.40 -0.01 0.00 0.00 0.00 0.00 60.65 60.61 1ilo s ILE 4 Cb -0.08 -2.66 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 1ilo s ILE 4 CO 0.17 0.45 -0.07 -1.10 0.00 0.00 0.00 174.94 174.39 1ilo s GLN 5 N 0.95 3.28 -0.31 2.79 1.11 0.10 -2.23 119.66 125.35 1ilo s GLN 5 Ca 0.00 -0.56 -0.02 0.00 0.01 0.00 0.00 55.36 54.79 1ilo s GLN 5 Cb -0.14 -2.74 0.05 0.00 -1.01 0.00 0.00 33.01 29.16 1ilo s GLN 5 CO 0.01 0.40 0.01 0.42 0.01 0.00 0.00 175.29 176.14 1ilo s ILE 6 N -0.08 3.03 -0.21 1.08 1.01 -1.12 -2.39 121.20 122.52 1ilo s ILE 6 Ca 0.01 -1.40 -0.14 0.00 0.00 0.00 0.00 60.65 59.12 1ilo s ILE 6 Cb -0.13 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 1ilo s ILE 6 CO 0.03 -0.13 0.34 -0.31 0.00 0.00 0.00 174.94 174.87 1ilo s TYR 7 N 1.26 3.36 0.00 3.97 2.02 -0.32 -1.34 117.35 126.29 1ilo s TYR 7 Ca -0.05 0.52 0.00 0.00 -0.37 0.00 0.00 57.07 57.17 1ilo s TYR 7 Cb -0.20 -2.46 0.00 0.00 -0.40 0.00 0.00 41.96 38.90 1ilo s TYR 7 CO -0.01 0.01 0.00 0.41 -1.57 0.00 0.00 175.55 174.39 1ilo n GLY 8 N 4.00 2.23 5.01 0.71 0.00 -1.25 -2.92 105.19 112.96 1ilo n GLY 8 Ca -0.10 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 0.00 0.00 2.61 -1.04 -1.26 -4.44 114.28 110.15 1ilo n THR 9 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1ilo n THR 9 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 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 0.00 -1.88 0.34 3.41 0.00 -1.26 -3.92 105.19 101.88 1ilo n GLY 10 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 1ilo n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ilo s ALA 12 N -4.98 3.63 -0.87 0.00 0.00 -1.25 -4.87 121.76 113.40 1ilo s ALA 12 Ca -0.05 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.76 1ilo s ALA 12 Cb 0.18 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1ilo s ALA 12 CO 0.69 -1.32 0.46 0.09 0.00 0.00 0.00 175.76 175.68 1ilo n ASN 13 N 6.87 1.01 0.29 0.00 3.02 -1.26 -4.16 115.26 121.04 1ilo n ASN 13 Ca 0.16 -1.62 0.18 0.00 -0.03 0.00 0.00 54.58 53.27 1ilo n ASN 13 Cb 0.43 -0.41 0.90 0.00 -0.61 0.00 0.00 39.78 40.09 1ilo n ASN 13 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ilo h GLN 15 N 0.00 0.42 0.61 0.00 3.07 -1.87 0.96 115.11 118.29 1ilo h GLN 15 Ca 0.04 -0.03 -0.03 0.00 0.09 0.00 0.00 58.65 58.72 1ilo h GLN 15 Cb 0.55 -0.09 0.01 0.00 0.08 0.00 0.00 27.48 28.02 1ilo h GLN 15 CO -0.00 0.28 -0.29 0.52 0.09 0.00 0.00 178.83 179.42 1ilo h MET 16 N 0.43 -0.79 0.00 0.06 2.86 -1.82 -2.93 114.93 112.74 1ilo h MET 16 Ca 0.69 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 58.38 1ilo h MET 16 Cb 1.51 0.18 0.00 0.00 0.06 0.00 0.00 31.60 33.35 1ilo h MET 16 CO -0.51 -0.52 0.00 1.25 1.06 0.00 0.00 176.91 178.18 1ilo h LEU 17 N -0.95 0.00 0.04 1.22 7.12 -1.57 -2.90 115.31 118.27 1ilo h LEU 17 Ca -0.08 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.92 1ilo h LEU 17 Cb 0.63 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.76 1ilo h LEU 17 CO 0.14 0.00 -0.02 -0.08 -0.13 0.00 0.00 178.44 178.35 1ilo h GLU 18 N 0.00 -0.05 -0.15 1.25 4.22 0.11 0.66 114.58 120.62 1ilo h GLU 18 Ca 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 59.36 59.37 1ilo h GLU 18 Cb 0.35 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1ilo h GLU 18 CO 0.00 -0.02 -0.18 -0.22 -2.18 0.00 0.00 179.01 176.41 1ilo h LYS 19 N -0.06 0.38 -0.83 1.92 3.64 -1.36 -2.79 116.57 117.47 1ilo h LYS 19 Ca -0.00 -0.22 -0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1ilo h LYS 19 Cb 0.05 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.85 1ilo h LYS 19 CO 0.01 0.79 0.50 -0.91 -2.27 0.00 0.00 179.45 177.56 1ilo h ASN 20 N 0.01 0.99 -0.32 4.20 2.35 -1.43 -2.85 115.58 118.52 1ilo h ASN 20 Ca 0.02 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 1ilo h ASN 20 Cb 0.73 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 1ilo h ASN 20 CO 0.04 0.76 0.12 0.00 -1.65 0.00 0.00 177.43 176.70 1ilo h ALA 21 N 1.41 0.42 0.17 -0.83 0.00 0.36 -0.79 119.26 120.01 1ilo h ALA 21 Ca 0.30 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1ilo h ALA 21 Cb -0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1ilo h ALA 21 CO -0.06 0.03 -0.18 0.00 0.00 0.00 0.00 179.25 179.05 1ilo h ARG 22 N 0.37 -0.37 0.01 0.00 3.08 -1.27 0.64 114.38 116.85 1ilo h ARG 22 Ca 0.11 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 1ilo h ARG 22 Cb 0.20 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1ilo h ARG 22 CO -0.01 -0.25 -0.01 1.05 -1.07 0.00 0.00 179.97 179.69 1ilo h GLU 23 N -0.38 -0.02 0.16 0.04 -0.00 -1.53 -1.80 114.58 111.05 1ilo h GLU 23 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.36 1ilo h GLU 23 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.12 1ilo h GLU 23 CO -0.05 0.26 -0.08 0.00 -0.00 0.00 0.00 179.01 179.14 1ilo h ALA 24 N 0.68 -0.22 0.05 1.06 0.00 -1.10 1.01 119.26 120.75 1ilo h ALA 24 Ca -0.00 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1ilo h ALA 24 Cb 0.29 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1ilo h ALA 24 CO 0.00 -0.55 -0.30 -0.24 0.00 0.00 0.00 179.25 178.16 1ilo h VAL 25 N -0.38 0.34 -0.03 0.00 3.04 0.23 1.16 116.25 120.61 1ilo h VAL 25 Ca -0.02 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.66 1ilo h VAL 25 Cb 0.30 0.34 -0.00 0.00 -2.01 0.00 0.00 31.29 29.91 1ilo h VAL 25 CO 0.04 0.00 0.00 0.11 -1.01 0.00 0.00 177.57 176.71 1ilo h LYS 26 N -0.48 0.05 -0.94 4.17 1.57 -0.78 -2.94 116.57 117.23 1ilo h LYS 26 Ca 0.05 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1ilo h LYS 26 Cb 0.54 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.80 1ilo h LYS 26 CO -0.23 0.30 0.62 1.49 -0.57 0.00 0.00 179.45 181.06 1ilo h GLU 27 N -0.21 1.23 0.00 3.15 4.57 0.13 -1.32 114.58 122.14 1ilo h GLU 27 Ca 0.01 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1ilo h GLU 27 Cb 0.28 -0.28 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1ilo h GLU 27 CO 0.00 0.82 0.24 -0.07 -1.18 0.00 0.00 179.01 178.82 1ilo h LEU 28 N 1.27 0.00 0.00 1.64 3.38 0.14 -3.43 115.31 118.32 1ilo h LEU 28 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1ilo h LEU 28 Cb -0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1ilo h LEU 28 CO -0.07 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.07 1ilo n GLY 29 N -1.26 1.89 3.15 0.83 0.00 -0.55 -5.08 105.19 104.16 1ilo n GLY 29 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.00 -0.84 0.82 -0.61 -0.00 -0.90 -5.05 121.20 112.62 1ilo s ILE 30 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 60.65 60.52 1ilo s ILE 30 Cb 0.00 -0.99 0.09 0.00 -0.00 0.00 0.00 42.46 41.55 1ilo s ILE 30 CO 0.00 0.00 1.20 -1.81 -0.00 0.00 0.00 174.94 174.33 1ilo s ASP 31 N 2.88 3.55 -0.07 4.36 1.01 -1.26 -2.13 116.67 125.02 1ilo s ASP 31 Ca 0.16 2.33 -0.07 0.00 0.71 0.00 0.00 52.55 55.68 1ilo s ASP 31 Cb -0.14 -2.58 0.02 0.00 1.01 0.00 0.00 42.92 41.23 1ilo s ASP 31 CO -0.19 -2.69 0.19 0.00 0.21 0.00 0.00 175.17 172.69 1ilo s ALA 32 N -2.22 -0.47 -0.29 5.23 0.00 -1.26 0.18 121.76 122.92 1ilo s ALA 32 Ca 0.72 0.53 -0.09 0.00 0.00 0.00 0.00 51.96 53.12 1ilo s ALA 32 Cb -0.28 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.52 1ilo s ALA 32 CO 0.51 -0.09 0.14 -1.21 0.00 0.00 0.00 175.76 175.12 1ilo s GLU 33 N 0.09 3.49 -0.43 0.00 0.41 0.05 -4.70 118.70 117.61 1ilo s GLU 33 Ca -0.00 -0.61 -0.16 0.00 -0.41 0.00 0.00 54.97 53.79 1ilo s GLU 33 Cb -0.01 -3.54 0.03 0.00 -1.78 0.00 0.00 34.13 28.83 1ilo s GLU 33 CO 0.00 -0.34 0.38 -0.06 -0.49 0.00 0.00 175.26 174.75 1ilo s PHE 34 N 1.64 3.21 -0.16 1.61 0.40 -1.26 -2.21 117.98 121.21 1ilo s PHE 34 Ca 0.05 -0.54 -0.01 0.00 -0.60 0.00 0.00 56.93 55.83 1ilo s PHE 34 Cb -0.17 -2.81 -0.01 0.00 0.51 0.00 0.00 43.02 40.54 1ilo s PHE 34 CO 0.06 -0.67 -0.10 -1.21 0.70 0.00 0.00 175.22 174.00 1ilo s GLU 35 N 1.89 3.38 0.44 0.44 8.01 -0.95 -5.02 118.70 126.90 1ilo s GLU 35 Ca 0.08 -0.67 -0.20 0.00 0.01 0.00 0.00 54.97 54.19 1ilo s GLU 35 Cb -0.19 -2.75 -0.10 0.00 -4.31 0.00 0.00 34.13 26.77 1ilo s GLU 35 CO 0.11 0.07 0.96 0.15 0.01 0.00 0.00 175.26 176.56 1ilo s LYS 36 N 0.73 4.18 -0.63 1.61 3.01 -1.26 -2.81 119.74 124.55 1ilo s LYS 36 Ca -0.05 1.10 0.05 0.00 -1.01 0.00 0.00 55.97 56.06 1ilo s LYS 36 Cb -0.15 -2.17 0.17 0.00 -1.01 0.00 0.00 37.83 34.67 1ilo s LYS 36 CO 0.02 -0.08 0.45 0.96 0.51 0.00 0.00 175.35 177.21 1ilo s ILE 37 N -2.24 2.35 -1.38 2.17 -0.00 -0.45 -4.88 121.20 116.77 1ilo s ILE 37 Ca 0.62 -3.89 -0.16 0.00 -0.00 0.00 0.00 60.65 57.22 1ilo s ILE 37 Cb -0.09 -2.55 0.06 0.00 -0.00 0.00 0.00 42.46 39.87 1ilo s ILE 37 CO 0.16 -1.04 1.98 2.29 -0.00 0.00 0.00 174.94 178.33 1ilo n LYS 38 N 2.22 3.03 0.00 0.37 2.85 -1.26 -3.94 118.16 121.42 1ilo n LYS 38 Ca 0.21 -2.95 0.00 0.00 -1.05 0.00 0.00 58.31 54.52 1ilo n LYS 38 Cb 0.37 -3.39 0.00 0.00 -0.65 0.00 0.00 35.03 31.36 1ilo n LYS 38 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1ilo n GLU 39 N 7.24 0.00 -0.14 -1.58 4.07 -1.26 -5.02 120.64 123.96 1ilo n GLU 39 Ca 0.50 0.00 0.18 0.00 -0.06 0.00 0.00 57.16 57.78 1ilo n GLU 39 Cb 0.43 0.00 0.56 0.00 -0.06 0.00 0.00 31.44 32.36 1ilo n GLU 39 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ilo h MET 40 N 0.00 0.29 -0.97 5.31 -0.00 -1.97 0.37 114.93 117.96 1ilo h MET 40 Ca 0.00 -0.02 0.21 0.00 -0.00 0.00 0.00 59.70 59.89 1ilo h MET 40 Cb 0.00 -0.07 -0.09 0.00 -0.00 0.00 0.00 31.60 31.45 1ilo h MET 40 CO 0.00 0.19 0.62 -0.44 -0.00 0.00 0.00 176.91 177.28 1ilo h ASP 41 N 0.30 0.58 0.47 -0.10 5.19 -1.96 0.61 116.42 121.52 1ilo h ASP 41 Ca 0.36 0.07 -0.30 0.00 -0.62 0.00 0.00 57.03 56.54 1ilo h ASP 41 Cb 0.96 -0.03 -0.03 0.00 0.18 0.00 0.00 39.33 40.41 1ilo h ASP 41 CO -0.09 0.21 -1.61 1.56 -3.12 0.00 0.00 179.24 176.19 1ilo h GLN 42 N 0.57 0.14 0.56 3.56 1.08 -0.73 -3.14 115.11 117.15 1ilo h GLN 42 Ca 0.54 -0.24 -0.03 0.00 -1.45 0.00 0.00 58.65 57.47 1ilo h GLN 42 Cb 1.10 0.09 0.01 0.00 -0.05 0.00 0.00 27.48 28.62 1ilo h GLN 42 CO -0.28 0.91 -0.27 0.82 -0.95 0.00 0.00 178.83 179.05 1ilo h ILE 43 N 0.04 0.43 -0.54 2.54 2.04 0.17 -2.72 117.51 119.46 1ilo h ILE 43 Ca -0.26 -0.11 -0.04 0.00 1.00 0.00 0.00 64.86 65.45 1ilo h ILE 43 Cb 1.99 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 1ilo h ILE 43 CO 0.12 0.02 0.17 0.17 0.00 0.00 0.00 178.15 178.63 1ilo h LEU 44 N -0.83 0.74 -2.29 1.44 -0.00 -0.14 -1.42 115.31 112.82 1ilo h LEU 44 Ca -0.08 -0.11 0.04 0.00 -0.00 0.00 0.00 57.88 57.73 1ilo h LEU 44 Cb 0.61 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 41.07 1ilo h LEU 44 CO 0.13 0.70 0.19 -0.08 -0.00 0.00 0.00 178.44 179.38 1ilo h GLU 45 N 0.79 0.00 -0.24 0.17 4.81 -1.47 0.16 114.58 118.79 1ilo h GLU 45 Ca 0.18 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.21 1ilo h GLU 45 Cb 0.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1ilo h GLU 45 CO -0.01 0.00 -0.64 0.00 -0.73 0.00 0.00 179.01 177.63 1ilo h ALA 46 N 1.76 0.40 0.00 2.92 0.00 -0.94 -3.48 119.26 119.92 1ilo h ALA 46 Ca 0.07 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1ilo h ALA 46 Cb 0.45 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ilo h ALA 46 CO -0.00 0.68 0.00 0.41 0.00 0.00 0.00 179.25 180.33 1ilo n GLY 47 N 0.50 1.52 3.78 0.00 0.00 0.55 -4.81 105.19 106.74 1ilo n GLY 47 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 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 3.64 0.00 0.99 -0.00 -1.26 -4.96 118.68 117.10 1ilo s LEU 48 Ca 0.00 2.01 0.17 0.00 -0.00 0.00 0.00 54.13 56.30 1ilo s LEU 48 Cb 0.00 -4.56 -0.16 0.00 -0.00 0.00 0.00 46.19 41.47 1ilo s LEU 48 CO 0.00 -1.20 0.73 1.07 -0.00 0.00 0.00 176.35 176.95 1ilo n THR 49 N -1.62 0.00 -3.36 5.48 5.66 -1.26 -4.64 114.28 114.55 1ilo n THR 49 Ca 0.10 -0.13 -0.18 0.00 -3.05 0.00 0.00 64.05 60.79 1ilo n THR 49 Cb 0.52 1.02 0.03 0.00 -1.55 0.00 0.00 70.33 70.36 1ilo n THR 49 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ilo n ALA 50 N -1.25 0.88 -0.03 1.79 0.00 -1.26 -5.01 120.51 115.63 1ilo n ALA 50 Ca 0.04 -1.75 -0.00 0.00 0.00 0.00 0.00 53.44 51.72 1ilo n ALA 50 Cb 0.27 0.58 -0.00 0.00 0.00 0.00 0.00 19.45 20.30 1ilo n ALA 50 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ilo h LEU 51 N 0.00 0.00 -5.13 0.00 3.38 -1.92 -3.39 115.31 108.25 1ilo h LEU 51 Ca -0.25 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.46 1ilo h LEU 51 Cb 1.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 1ilo h LEU 51 CO 0.37 0.32 1.62 -0.81 0.09 0.00 0.00 178.44 180.03 1ilo n PRO 52 N -3.64 1.60 -2.42 1.13 -0.04 -1.24 -4.11 135.00 126.28 1ilo n PRO 52 Ca -0.01 -1.07 -0.38 0.00 -0.04 0.00 0.00 63.50 62.00 1ilo n PRO 52 Cb 0.03 -2.18 -0.03 0.00 -0.04 0.00 0.00 33.50 31.27 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 3.17 2.88 -0.28 0.55 0.00 -1.15 -4.02 107.32 108.48 1ilo s GLY 53 Ca 0.35 0.87 -0.02 0.00 0.00 0.00 0.00 44.72 45.92 1ilo s GLY 53 CO -0.02 1.38 0.09 -2.27 0.00 0.00 0.00 173.10 172.28 1ilo s LEU 54 N -2.23 1.61 -0.22 0.66 1.98 -0.13 -1.18 118.68 119.17 1ilo s LEU 54 Ca 0.54 -1.35 -0.07 0.00 -2.89 0.00 0.00 54.13 50.35 1ilo s LEU 54 Cb -0.28 -0.69 -0.03 0.00 0.66 0.00 0.00 46.19 45.84 1ilo s LEU 54 CO 0.36 -0.39 0.07 0.00 -1.89 0.00 0.00 176.35 174.50 1ilo s ALA 55 N 1.78 3.27 -0.06 5.97 0.00 -1.00 -2.96 121.76 128.75 1ilo s ALA 55 Ca 0.07 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.10 1ilo s ALA 55 Cb -0.17 -2.01 -0.02 0.00 0.00 0.00 0.00 23.12 20.91 1ilo s ALA 55 CO -0.23 -0.19 -0.14 0.14 0.00 0.00 0.00 175.76 175.33 1ilo s VAL 56 N 1.07 3.04 -0.70 0.00 -7.23 -0.47 -0.72 120.40 115.39 1ilo s VAL 56 Ca 0.04 -0.72 0.00 0.00 -1.81 0.00 0.00 61.98 59.49 1ilo s VAL 56 Cb -0.14 -2.20 0.00 0.00 0.56 0.00 0.00 36.38 34.60 1ilo s VAL 56 CO 0.03 0.58 0.00 0.47 -0.31 0.00 0.00 175.10 175.87 1ilo n ASP 57 N 2.50 -2.36 0.00 4.85 9.92 0.98 0.11 116.55 132.55 1ilo n ASP 57 Ca -0.17 0.26 0.00 0.00 -0.53 0.00 0.00 54.79 54.34 1ilo n ASP 57 Cb 0.52 -2.22 0.00 0.00 -0.64 0.00 0.00 41.12 38.78 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 -0.43 0.69 2.66 0.44 0.00 -1.26 -5.02 105.19 102.27 1ilo n GLY 58 Ca -0.08 -0.68 -0.27 0.00 0.00 0.00 0.00 46.02 44.99 1ilo n GLY 58 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ilo s GLU 59 N -1.74 0.36 -0.03 1.61 -1.05 0.30 -5.12 118.70 113.03 1ilo s GLU 59 Ca 0.00 -0.34 -0.24 0.00 -0.15 0.00 0.00 54.97 54.24 1ilo s GLU 59 Cb 0.00 -1.88 -0.04 0.00 -0.44 0.00 0.00 34.13 31.77 1ilo s GLU 59 CO 0.00 -0.72 0.75 -0.48 0.95 0.00 0.00 175.26 175.76 1ilo s LEU 60 N 1.99 4.36 0.00 1.83 2.34 -1.26 -1.37 118.68 126.57 1ilo s LEU 60 Ca 0.02 1.31 0.00 0.00 0.06 0.00 0.00 54.13 55.52 1ilo s LEU 60 Cb -0.17 -3.17 0.00 0.00 -0.56 0.00 0.00 46.19 42.29 1ilo s LEU 60 CO -0.13 -0.09 0.20 0.29 -1.06 0.00 0.00 176.35 175.56 1ilo n LYS 61 N 3.51 -0.00 -4.10 1.48 5.02 -1.16 -4.98 118.16 117.93 1ilo n LYS 61 Ca -0.01 -0.22 -0.27 0.00 -2.02 0.00 0.00 58.31 55.79 1ilo n LYS 61 Cb 0.51 -0.58 -0.17 0.00 -0.02 0.00 0.00 35.03 34.77 1ilo n LYS 61 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1ilo s ILE 62 N -0.04 1.17 -0.09 -0.18 1.01 -1.24 -5.01 121.20 116.82 1ilo s ILE 62 Ca 0.00 -0.41 -0.05 0.00 0.00 0.00 0.00 60.65 60.19 1ilo s ILE 62 Cb 0.00 -1.14 0.04 0.00 0.01 0.00 0.00 42.46 41.37 1ilo s ILE 62 CO 0.00 0.39 0.22 -0.04 0.00 0.00 0.00 174.94 175.50 1ilo s MET 63 N 1.41 0.18 0.00 2.79 -1.94 -1.26 -0.96 119.30 119.53 1ilo s MET 63 Ca 0.00 0.47 0.00 0.00 -1.71 0.00 0.00 55.69 54.45 1ilo s MET 63 Cb -0.13 -0.12 0.00 0.00 2.01 0.00 0.00 34.83 36.59 1ilo s MET 63 CO -0.06 -0.15 0.00 0.41 -0.01 0.00 0.00 175.02 175.21 1ilo n GLY 64 N 4.13 0.45 0.00 -0.03 0.00 -1.26 -4.87 105.19 103.60 1ilo n GLY 64 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1ilo n GLY 64 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ilo n ARG 65 N -1.81 0.00 -1.69 1.61 0.63 -1.26 -4.89 116.66 109.25 1ilo n ARG 65 Ca 0.00 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.55 1ilo n ARG 65 Cb 0.11 0.00 0.05 0.00 0.45 0.00 0.00 32.46 33.07 1ilo n ARG 65 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 1ilo n VAL 66 N 0.00 4.05 -0.78 5.15 3.14 -1.26 -4.92 118.33 123.71 1ilo n VAL 66 Ca 0.00 -0.50 -0.29 0.00 -2.96 0.00 0.00 64.34 60.59 1ilo n VAL 66 Cb 0.00 -1.41 0.24 0.00 -1.06 0.00 0.00 33.84 31.61 1ilo n VAL 66 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ilo s ALA 67 N -1.39 0.00 0.24 1.55 0.00 -1.26 -4.91 121.76 115.99 1ilo s ALA 67 Ca 0.76 -0.55 0.08 0.00 0.00 0.00 0.00 51.96 52.25 1ilo s ALA 67 Cb -0.41 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 1ilo s ALA 67 CO 0.46 -3.75 0.07 -1.12 0.00 0.00 0.00 175.76 171.41 1ilo s SER 68 N -3.21 4.93 0.18 0.00 0.01 -1.26 -4.05 113.70 110.30 1ilo s SER 68 Ca 0.68 -0.46 -0.14 0.00 1.31 0.00 0.00 55.95 57.34 1ilo s SER 68 Cb -0.17 -1.07 0.17 0.00 0.21 0.00 0.00 66.02 65.15 1ilo s SER 68 CO 0.59 0.01 1.69 0.07 0.41 0.00 0.00 173.24 176.01 1ilo h LYS 69 N 1.91 0.13 -0.35 12.44 5.09 -1.94 -0.11 116.57 133.73 1ilo h LYS 69 Ca -0.46 -0.01 -0.04 0.00 0.09 0.00 0.00 60.65 60.23 1ilo h LYS 69 Cb 1.24 -0.03 -0.02 0.00 0.10 0.00 0.00 32.23 33.52 1ilo h LYS 69 CO 0.60 0.08 0.05 1.49 -2.09 0.00 0.00 179.45 179.59 1ilo h GLU 70 N 0.13 0.52 -0.49 0.07 4.81 -2.00 -2.63 114.58 114.99 1ilo h GLU 70 Ca 0.24 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 1ilo h GLU 70 Cb 0.35 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1ilo h GLU 70 CO -0.38 0.51 0.05 0.93 -0.73 0.00 0.00 179.01 179.39 1ilo h GLU 71 N 0.51 0.83 0.23 1.92 3.07 -1.48 -2.06 114.58 117.61 1ilo h GLU 71 Ca 0.12 -0.24 0.01 0.00 -0.50 0.00 0.00 59.36 58.75 1ilo h GLU 71 Cb 0.25 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 1ilo h GLU 71 CO 0.00 0.84 -0.28 0.82 -1.40 0.00 0.00 179.01 178.99 1ilo h ILE 72 N 0.70 0.40 -0.77 3.13 1.08 -0.80 0.73 117.51 121.98 1ilo h ILE 72 Ca 0.15 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.65 1ilo h ILE 72 Cb 0.43 0.40 -0.04 0.00 -3.07 0.00 0.00 36.82 34.54 1ilo h ILE 72 CO 0.01 0.00 0.51 0.50 -0.69 0.00 0.00 178.15 178.48 1ilo h LYS 73 N -0.57 0.90 -0.02 2.37 3.64 -1.51 0.67 116.57 122.06 1ilo h LYS 73 Ca 0.00 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.16 1ilo h LYS 73 Cb 0.54 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1ilo h LYS 73 CO -0.09 0.59 -0.75 -0.22 -2.27 0.00 0.00 179.45 176.72 1ilo h LYS 74 N 0.92 0.14 0.00 1.90 1.63 -0.77 0.52 116.57 120.91 1ilo h LYS 74 Ca 0.31 -0.12 -0.16 0.00 -0.85 0.00 0.00 60.65 59.82 1ilo h LYS 74 Cb 0.08 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.71 1ilo h LYS 74 CO -0.09 0.82 -0.78 0.97 -3.45 0.00 0.00 179.45 176.91 1ilo h ILE 75 N 0.09 1.54 0.00 2.00 2.10 0.14 -3.41 117.51 119.97 1ilo h ILE 75 Ca -0.02 -2.71 0.00 0.00 1.08 0.00 0.00 64.86 63.21 1ilo h ILE 75 Cb 1.31 2.47 0.00 0.00 -1.09 0.00 0.00 36.82 39.51 1ilo h ILE 75 CO 0.11 0.77 0.00 -0.11 -1.08 0.00 0.00 178.15 177.84 1ilo n LEU 76 N -3.57 0.00 0.00 2.19 7.94 0.14 -5.08 117.00 118.62 1ilo n LEU 76 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 1ilo n LEU 76 Cb 0.76 -0.18 0.00 0.00 0.53 0.00 0.00 43.42 44.54 1ilo n LEU 76 CO 0.44 -0.30 0.00 -0.24 -1.11 0.00 0.00 177.39 176.18