#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 3.81 -0.20 0.03 -2.45 0.39 -4.71 119.30 116.16 1ilo s MET 2 Ca 0.00 0.64 -0.29 0.00 -1.25 0.00 0.00 55.69 54.79 1ilo s MET 2 Cb 0.00 -3.85 -0.03 0.00 1.25 0.00 0.00 34.83 32.20 1ilo s MET 2 CO 0.00 -1.17 1.66 -1.59 1.05 0.00 0.00 175.02 174.97 1ilo s LYS 3 N 4.01 3.79 -0.16 4.11 -2.85 -1.26 -1.51 119.74 125.87 1ilo s LYS 3 Ca 0.44 1.74 0.01 0.00 -1.00 0.00 0.00 55.97 57.16 1ilo s LYS 3 Cb -0.10 -4.06 0.02 0.00 -2.06 0.00 0.00 37.83 31.64 1ilo s LYS 3 CO 0.25 -1.31 -0.19 0.42 0.10 0.00 0.00 175.35 174.62 1ilo s ILE 4 N 5.29 1.93 -0.11 3.79 1.01 0.32 -1.16 121.20 132.27 1ilo s ILE 4 Ca 0.74 -0.87 -0.01 0.00 0.00 0.00 0.00 60.65 60.50 1ilo s ILE 4 Cb -0.26 -1.74 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 1ilo s ILE 4 CO 0.30 0.52 -0.07 -1.10 0.00 0.00 0.00 174.94 174.59 1ilo s GLN 5 N 1.16 3.18 -0.23 2.79 -0.21 -0.28 -1.36 119.66 124.70 1ilo s GLN 5 Ca 0.00 -0.56 0.02 0.00 0.02 0.00 0.00 55.36 54.85 1ilo s GLN 5 Cb -0.14 -2.71 0.05 0.00 1.00 0.00 0.00 33.01 31.21 1ilo s GLN 5 CO -0.08 0.44 -0.14 0.42 -2.12 0.00 0.00 175.29 173.81 1ilo s ILE 6 N -0.21 2.14 -0.30 1.08 1.09 -1.13 -2.37 121.20 121.50 1ilo s ILE 6 Ca 0.03 -1.38 -0.09 0.00 -1.10 0.00 0.00 60.65 58.11 1ilo s ILE 6 Cb -0.13 -2.13 -0.01 0.00 -1.06 0.00 0.00 42.46 39.13 1ilo s ILE 6 CO 0.03 0.18 0.14 -0.31 -0.10 0.00 0.00 174.94 174.88 1ilo s TYR 7 N 1.17 3.17 0.00 3.97 1.51 -0.07 -2.43 117.35 124.68 1ilo s TYR 7 Ca -0.04 -0.50 0.00 0.00 -1.01 0.00 0.00 57.07 55.52 1ilo s TYR 7 Cb -0.17 -2.34 0.00 0.00 -0.11 0.00 0.00 41.96 39.34 1ilo s TYR 7 CO -0.08 -0.42 0.00 0.41 -1.11 0.00 0.00 175.55 174.35 1ilo n GLY 8 N 4.98 1.49 5.00 0.71 0.00 -1.26 -2.66 105.19 113.45 1ilo n GLY 8 Ca -0.14 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.25 -4.51 114.28 110.09 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 -2.08 0.16 3.41 0.00 -1.26 -4.40 105.19 101.03 1ilo n GLY 10 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.29 0.84 1.23 0.00 0.00 -1.26 -4.82 120.51 114.21 1ilo n ALA 12 Ca -0.02 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1ilo n ALA 12 Cb 0.15 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.11 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 6.97 0.40 0.33 0.00 4.13 -1.26 -3.84 115.26 122.00 1ilo n ASN 13 Ca 0.24 -1.63 0.20 0.00 1.68 0.00 0.00 54.58 55.07 1ilo n ASN 13 Cb 0.28 -0.20 1.05 0.00 -1.54 0.00 0.00 39.78 39.37 1ilo n ASN 13 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ilo h GLN 15 N 0.00 0.40 0.65 0.00 3.07 -1.87 0.35 115.11 117.72 1ilo h GLN 15 Ca 0.00 -0.02 -0.03 0.00 0.09 0.00 0.00 58.65 58.68 1ilo h GLN 15 Cb 0.26 -0.09 0.01 0.00 0.08 0.00 0.00 27.48 27.74 1ilo h GLN 15 CO 0.00 0.27 -0.31 0.52 0.09 0.00 0.00 178.83 179.39 1ilo h MET 16 N 0.42 -0.85 -0.00 0.06 2.86 -1.75 -2.85 114.93 112.82 1ilo h MET 16 Ca 0.51 0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 58.21 1ilo h MET 16 Cb 1.28 0.19 -0.00 0.00 0.06 0.00 0.00 31.60 33.13 1ilo h MET 16 CO -0.22 -0.56 -0.01 1.25 1.06 0.00 0.00 176.91 178.43 1ilo h LEU 17 N -1.03 0.00 -0.43 1.22 7.12 -1.61 -2.28 115.31 118.30 1ilo h LEU 17 Ca -0.09 -0.00 0.07 0.00 0.13 0.00 0.00 57.88 57.99 1ilo h LEU 17 Cb 0.67 -0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 40.74 1ilo h LEU 17 CO 0.15 0.01 0.09 -0.08 -0.13 0.00 0.00 178.44 178.48 1ilo h GLU 18 N 0.00 0.22 -0.67 1.25 4.81 -0.20 0.15 114.58 120.14 1ilo h GLU 18 Ca 0.00 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 1ilo h GLU 18 Cb 0.02 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1ilo h GLU 18 CO 0.00 0.15 0.12 -0.22 -0.73 0.00 0.00 179.01 178.32 1ilo h LYS 19 N 0.23 1.11 0.10 1.92 3.64 -1.18 -2.79 116.57 119.60 1ilo h LYS 19 Ca 0.21 -0.29 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1ilo h LYS 19 Cb 0.26 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1ilo h LYS 19 CO -0.27 1.01 -0.05 -0.91 -2.27 0.00 0.00 179.45 176.96 1ilo h ASN 20 N 1.04 -0.12 -0.91 4.20 2.35 -1.07 -2.50 115.58 118.57 1ilo h ASN 20 Ca 0.21 -0.00 0.14 0.00 -0.55 0.00 0.00 56.30 56.10 1ilo h ASN 20 Cb 0.43 0.03 -0.07 0.00 0.05 0.00 0.00 38.32 38.76 1ilo h ASN 20 CO 0.01 -0.08 0.58 0.00 -1.65 0.00 0.00 177.43 176.29 1ilo h ALA 21 N 0.75 1.80 0.04 -0.83 0.00 -0.65 0.25 119.26 120.61 1ilo h ALA 21 Ca -0.01 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ilo h ALA 21 Cb 0.11 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1ilo h ALA 21 CO 0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 179.25 179.21 1ilo h ARG 22 N 0.72 -0.05 -0.06 0.00 3.08 -1.18 0.48 114.38 117.37 1ilo h ARG 22 Ca 0.46 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.47 1ilo h ARG 22 Cb 0.71 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.77 1ilo h ARG 22 CO -0.22 -0.03 -0.13 1.05 -1.07 0.00 0.00 179.97 179.57 1ilo h GLU 23 N -0.05 0.20 0.19 0.04 4.11 -1.11 -2.85 114.58 115.10 1ilo h GLU 23 Ca -0.00 -0.13 -0.01 0.00 0.07 0.00 0.00 59.36 59.29 1ilo h GLU 23 Cb 0.04 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1ilo h GLU 23 CO 0.00 0.72 -0.09 0.00 0.07 0.00 0.00 179.01 179.72 1ilo h ALA 24 N 0.47 -0.25 0.04 1.06 0.00 -0.51 1.16 119.26 121.22 1ilo h ALA 24 Ca 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1ilo h ALA 24 Cb 0.72 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 1ilo h ALA 24 CO 0.03 -0.61 -0.33 -0.24 0.00 0.00 0.00 179.25 178.10 1ilo h VAL 25 N -0.31 0.29 -0.02 0.00 3.04 -0.14 0.42 116.25 119.53 1ilo h VAL 25 Ca -0.03 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.66 1ilo h VAL 25 Cb 0.24 0.29 -0.00 0.00 -2.01 0.00 0.00 31.29 29.81 1ilo h VAL 25 CO 0.04 0.00 -0.01 0.11 -1.01 0.00 0.00 177.57 176.71 1ilo h LYS 26 N -0.50 0.04 -0.44 4.17 1.57 -1.22 -2.61 116.57 117.58 1ilo h LYS 26 Ca 0.05 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.89 1ilo h LYS 26 Cb 0.57 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.82 1ilo h LYS 26 CO -0.25 0.40 0.06 1.49 -0.57 0.00 0.00 179.45 180.59 1ilo h GLU 27 N -0.32 0.18 -0.22 3.15 4.81 0.16 0.13 114.58 122.47 1ilo h GLU 27 Ca 0.01 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.29 1ilo h GLU 27 Cb 0.39 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1ilo h GLU 27 CO 0.00 0.12 0.50 -0.07 -0.73 0.00 0.00 179.01 178.83 1ilo h LEU 28 N 0.19 0.00 0.00 1.64 -0.00 -0.20 -3.43 115.31 113.51 1ilo h LEU 28 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.10 1ilo h LEU 28 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.95 1ilo h LEU 28 CO -0.31 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 178.74 1ilo n GLY 29 N -1.38 1.54 3.28 0.83 0.00 0.43 -5.10 105.19 104.78 1ilo n GLY 29 Ca 0.03 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.90 1.02 -0.61 -4.36 -0.99 -5.03 121.20 108.33 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 -1.00 0.20 0.00 1.25 0.00 0.00 42.46 42.91 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 2.86 2.15 0.35 4.36 -1.08 -1.26 -2.36 116.67 121.67 1ilo s ASP 31 Ca 0.11 1.86 -0.05 0.00 -0.52 0.00 0.00 52.55 53.94 1ilo s ASP 31 Cb -0.13 -2.43 0.01 0.00 -1.46 0.00 0.00 42.92 38.91 1ilo s ASP 31 CO -0.19 -3.53 0.53 0.00 0.52 0.00 0.00 175.17 172.50 1ilo s ALA 32 N -2.59 0.44 -0.17 3.66 0.00 -1.26 0.15 121.76 121.98 1ilo s ALA 32 Ca 0.67 -1.35 -0.00 0.00 0.00 0.00 0.00 51.96 51.28 1ilo s ALA 32 Cb -0.23 1.06 0.04 0.00 0.00 0.00 0.00 23.12 23.99 1ilo s ALA 32 CO 0.61 -0.83 -0.05 -1.83 0.00 0.00 0.00 175.76 173.65 1ilo s GLU 33 N -2.96 1.45 -0.40 0.00 -1.05 -0.57 -4.74 118.70 110.44 1ilo s GLU 33 Ca 0.27 -0.56 -0.13 0.00 -0.15 0.00 0.00 54.97 54.40 1ilo s GLU 33 Cb -0.01 -2.07 0.03 0.00 -0.44 0.00 0.00 34.13 31.64 1ilo s GLU 33 CO 0.18 -0.45 0.27 -0.06 0.95 0.00 0.00 175.26 176.15 1ilo s PHE 34 N 1.61 3.25 -0.24 4.83 0.40 -1.26 -0.52 117.98 126.05 1ilo s PHE 34 Ca 0.00 -0.82 -0.01 0.00 -0.60 0.00 0.00 56.93 55.51 1ilo s PHE 34 Cb -0.16 -2.60 0.03 0.00 0.51 0.00 0.00 43.02 40.80 1ilo s PHE 34 CO -0.08 -0.65 -0.08 -2.00 0.70 0.00 0.00 175.22 173.11 1ilo s GLU 35 N 1.61 2.84 0.06 0.44 -6.30 -0.46 -5.02 118.70 111.87 1ilo s GLU 35 Ca 0.04 -0.97 -0.18 0.00 -2.50 0.00 0.00 54.97 51.36 1ilo s GLU 35 Cb -0.20 -2.92 -0.06 0.00 0.00 0.00 0.00 34.13 30.95 1ilo s GLU 35 CO 0.08 -0.38 0.53 0.15 0.02 0.00 0.00 175.26 175.67 1ilo s LYS 36 N 1.31 4.13 0.55 4.30 1.02 -1.26 -2.84 119.74 126.94 1ilo s LYS 36 Ca 0.00 0.65 0.04 0.00 0.02 0.00 0.00 55.97 56.69 1ilo s LYS 36 Cb -0.16 -3.21 0.03 0.00 -0.52 0.00 0.00 37.83 33.97 1ilo s LYS 36 CO -0.06 0.64 0.32 0.96 -0.92 0.00 0.00 175.35 176.30 1ilo s ILE 37 N -1.13 1.49 -0.49 2.17 -0.00 -1.02 -4.96 121.20 117.26 1ilo s ILE 37 Ca 0.28 -1.60 0.06 0.00 -0.00 0.00 0.00 60.65 59.40 1ilo s ILE 37 Cb -0.19 -2.09 0.21 0.00 -0.00 0.00 0.00 42.46 40.40 1ilo s ILE 37 CO 0.18 0.00 0.75 1.17 -0.00 0.00 0.00 174.94 177.04 1ilo n LYS 38 N -1.68 0.61 0.00 0.37 0.00 -1.26 -4.34 118.16 111.86 1ilo n LYS 38 Ca -0.06 -2.08 0.00 0.00 0.00 0.00 0.00 58.31 56.17 1ilo n LYS 38 Cb 0.65 -1.47 0.00 0.00 0.00 0.00 0.00 35.03 34.21 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 2.34 0.00 0.01 1.64 -0.58 -1.26 -4.99 120.64 117.80 1ilo n GLU 39 Ca 0.16 0.00 0.22 0.00 -0.42 0.00 0.00 57.16 57.12 1ilo n GLU 39 Cb 0.58 0.00 0.73 0.00 -0.57 0.00 0.00 31.44 32.17 1ilo n GLU 39 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 1ilo h MET 40 N 0.00 0.00 -0.99 3.49 2.86 -1.99 0.40 114.93 118.69 1ilo h MET 40 Ca 0.00 0.00 0.18 0.00 -2.06 0.00 0.00 59.70 57.82 1ilo h MET 40 Cb 0.00 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.56 1ilo h MET 40 CO 0.00 0.00 0.61 -0.44 1.06 0.00 0.00 176.91 178.14 1ilo h ASP 41 N 0.00 0.75 0.29 1.22 5.19 -1.99 0.98 116.42 122.87 1ilo h ASP 41 Ca 0.26 0.08 -0.33 0.00 -0.62 0.00 0.00 57.03 56.42 1ilo h ASP 41 Cb 1.26 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.71 1ilo h ASP 41 CO -0.00 0.29 -1.73 1.56 -3.12 0.00 0.00 179.24 176.23 1ilo h GLN 42 N 0.74 0.29 0.47 3.56 1.08 -0.66 -3.11 115.11 117.48 1ilo h GLN 42 Ca 0.56 -0.49 -0.02 0.00 -1.45 0.00 0.00 58.65 57.25 1ilo h GLN 42 Cb 0.89 0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 28.50 1ilo h GLN 42 CO -0.34 1.16 -0.27 0.82 -0.95 0.00 0.00 178.83 179.25 1ilo h ILE 43 N 0.08 0.44 -0.84 2.54 2.04 0.26 -2.64 117.51 119.38 1ilo h ILE 43 Ca -0.32 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1ilo h ILE 43 Cb 2.05 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 38.53 1ilo h ILE 43 CO 0.14 0.00 0.48 0.17 0.00 0.00 0.00 178.15 178.95 1ilo h LEU 44 N -0.70 1.03 -1.98 1.44 -0.00 0.74 -1.36 115.31 114.48 1ilo h LEU 44 Ca -0.06 -0.08 0.12 0.00 -0.00 0.00 0.00 57.88 57.87 1ilo h LEU 44 Cb 0.56 -0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 40.94 1ilo h LEU 44 CO 0.07 0.81 0.44 -0.08 -0.00 0.00 0.00 178.44 179.68 1ilo h GLU 45 N 1.16 0.00 -0.23 0.17 4.81 -1.42 0.64 114.58 119.70 1ilo h GLU 45 Ca 0.30 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.38 1ilo h GLU 45 Cb -0.01 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1ilo h GLU 45 CO -0.05 0.00 -0.47 0.00 -0.73 0.00 0.00 179.01 177.76 1ilo h ALA 46 N 1.52 0.74 0.00 2.92 0.00 -0.89 -3.47 119.26 120.07 1ilo h ALA 46 Ca 0.20 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1ilo h ALA 46 Cb 1.09 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1ilo h ALA 46 CO -0.00 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.33 1ilo n GLY 47 N 0.13 1.64 3.86 0.00 0.00 0.22 -4.78 105.19 106.25 1ilo n GLY 47 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 2.94 -0.01 0.99 -0.00 -1.26 -5.00 118.68 116.35 1ilo s LEU 48 Ca 0.00 1.30 0.05 0.00 -0.00 0.00 0.00 54.13 55.47 1ilo s LEU 48 Cb 0.00 -4.12 -0.07 0.00 -0.00 0.00 0.00 46.19 42.00 1ilo s LEU 48 CO 0.00 -1.38 0.12 0.41 -0.00 0.00 0.00 176.35 175.51 1ilo n THR 49 N -3.05 0.00 -2.34 5.48 -1.04 -1.26 -4.51 114.28 107.56 1ilo n THR 49 Ca 0.07 -0.17 -0.25 0.00 -2.04 0.00 0.00 64.05 61.65 1ilo n THR 49 Cb 0.56 0.52 0.11 0.00 -1.82 0.00 0.00 70.33 69.71 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 -2.14 3.22 -0.06 2.41 0.00 -1.26 -5.03 121.76 118.90 1ilo s ALA 50 Ca -0.01 -1.39 -0.00 0.00 0.00 0.00 0.00 51.96 50.55 1ilo s ALA 50 Cb 0.03 -2.34 -0.00 0.00 0.00 0.00 0.00 23.12 20.81 1ilo s ALA 50 CO 0.20 -1.63 0.02 -0.07 0.00 0.00 0.00 175.76 174.28 1ilo h LEU 51 N -0.79 -0.01 -5.39 0.00 3.38 -1.92 -3.38 115.31 107.20 1ilo h LEU 51 Ca -0.41 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.25 1ilo h LEU 51 Cb 1.27 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.03 1ilo h LEU 51 CO 0.45 0.29 2.18 -2.65 0.09 0.00 0.00 178.44 178.80 1ilo n PRO 52 N -3.71 1.77 -2.75 1.13 -0.02 -1.23 -4.18 135.00 126.01 1ilo n PRO 52 Ca -0.00 -1.26 -0.35 0.00 -2.02 0.00 0.00 63.50 59.87 1ilo n PRO 52 Cb 0.01 -2.33 -0.06 0.00 -0.02 0.00 0.00 33.50 31.09 1ilo n PRO 52 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1ilo s GLY 53 N 3.46 2.57 -0.24 -1.23 0.00 -1.09 -3.93 107.32 106.86 1ilo s GLY 53 Ca 0.35 0.49 -0.04 0.00 0.00 0.00 0.00 44.72 45.52 1ilo s GLY 53 CO -0.03 0.84 0.11 -2.27 0.00 0.00 0.00 173.10 171.76 1ilo s LEU 54 N -2.79 0.49 -0.23 0.66 1.98 -1.05 -0.89 118.68 116.85 1ilo s LEU 54 Ca 0.58 -1.02 -0.12 0.00 -2.89 0.00 0.00 54.13 50.68 1ilo s LEU 54 Cb -0.14 -0.32 -0.05 0.00 0.66 0.00 0.00 46.19 46.35 1ilo s LEU 54 CO 0.19 -0.40 0.23 0.00 -1.89 0.00 0.00 176.35 174.47 1ilo s ALA 55 N 2.11 3.59 -0.02 5.97 0.00 -1.00 -3.15 121.76 129.26 1ilo s ALA 55 Ca 0.06 -0.81 0.08 0.00 0.00 0.00 0.00 51.96 51.29 1ilo s ALA 55 Cb -0.16 -2.42 -0.02 0.00 0.00 0.00 0.00 23.12 20.52 1ilo s ALA 55 CO -0.26 -0.25 -0.25 0.14 0.00 0.00 0.00 175.76 175.14 1ilo s VAL 56 N 1.18 1.98 -0.28 0.00 -7.23 -1.10 -1.13 120.40 113.82 1ilo s VAL 56 Ca 0.11 -1.07 0.00 0.00 -1.81 0.00 0.00 61.98 59.21 1ilo s VAL 56 Cb -0.14 -1.65 0.00 0.00 0.56 0.00 0.00 36.38 35.15 1ilo s VAL 56 CO 0.06 0.56 0.00 0.47 -0.31 0.00 0.00 175.10 175.88 1ilo n ASP 57 N 2.51 -1.60 -0.24 4.85 9.92 -0.31 0.13 116.55 131.82 1ilo n ASP 57 Ca -0.16 0.36 -0.01 0.00 -0.53 0.00 0.00 54.79 54.45 1ilo n ASP 57 Cb 0.51 -1.53 0.00 0.00 -0.64 0.00 0.00 41.12 39.47 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 0.51 2.80 0.44 0.00 -1.26 -5.03 105.19 102.15 1ilo n GLY 58 Ca -0.04 -0.80 -0.15 0.00 0.00 0.00 0.00 46.02 45.04 1ilo n GLY 58 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ilo s GLU 59 N -4.34 0.39 0.18 1.61 8.01 0.35 -5.13 118.70 119.77 1ilo s GLU 59 Ca 0.01 -0.19 -0.30 0.00 0.01 0.00 0.00 54.97 54.50 1ilo s GLU 59 Cb -0.00 -0.58 -0.08 0.00 -4.31 0.00 0.00 34.13 29.15 1ilo s GLU 59 CO 0.01 -1.06 1.30 -0.51 0.01 0.00 0.00 175.26 175.01 1ilo s LEU 60 N 2.26 4.41 0.00 1.80 1.02 -1.26 -2.73 118.68 124.19 1ilo s LEU 60 Ca 0.11 2.35 0.00 0.00 0.02 0.00 0.00 54.13 56.61 1ilo s LEU 60 Cb -0.14 -3.61 0.00 0.00 0.02 0.00 0.00 46.19 42.47 1ilo s LEU 60 CO -0.28 -0.52 0.31 0.29 0.02 0.00 0.00 176.35 176.17 1ilo n LYS 61 N 2.83 0.00 -4.35 1.70 5.02 -1.19 -4.98 118.16 117.19 1ilo n LYS 61 Ca 0.07 -0.31 -0.26 0.00 -2.02 0.00 0.00 58.31 55.78 1ilo n LYS 61 Cb 0.43 -0.47 -0.17 0.00 -0.02 0.00 0.00 35.03 34.81 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 0.00 1.22 -0.16 -0.18 1.09 -1.24 -4.96 121.20 116.96 1ilo s ILE 62 Ca 0.00 -0.48 -0.04 0.00 -1.10 0.00 0.00 60.65 59.03 1ilo s ILE 62 Cb 0.00 -1.14 0.08 0.00 -1.06 0.00 0.00 42.46 40.34 1ilo s ILE 62 CO 0.00 0.38 0.25 -0.04 -0.10 0.00 0.00 174.94 175.44 1ilo s MET 63 N 1.06 0.17 0.00 2.79 -1.94 -1.26 -2.52 119.30 117.60 1ilo s MET 63 Ca -0.07 0.56 0.00 0.00 -1.71 0.00 0.00 55.69 54.47 1ilo s MET 63 Cb -0.15 -0.44 0.00 0.00 2.01 0.00 0.00 34.83 36.25 1ilo s MET 63 CO -0.01 -0.43 0.00 0.41 -0.01 0.00 0.00 175.02 174.98 1ilo n GLY 64 N 5.34 2.16 0.00 -0.03 0.00 -1.25 -4.89 105.19 106.52 1ilo n GLY 64 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.00 0.00 -0.44 1.61 0.63 -1.26 -4.73 116.66 110.48 1ilo n ARG 65 Ca 0.00 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.74 1ilo n ARG 65 Cb 0.00 0.00 0.18 0.00 0.45 0.00 0.00 32.46 33.09 1ilo n ARG 65 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1ilo n VAL 66 N 0.00 0.00 -2.57 5.15 0.24 -1.26 -4.90 118.33 114.99 1ilo n VAL 66 Ca 0.00 -0.01 -0.24 0.00 -2.04 0.00 0.00 64.34 62.06 1ilo n VAL 66 Cb 0.00 -0.61 0.11 0.00 -1.47 0.00 0.00 33.84 31.87 1ilo n VAL 66 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ilo s ALA 67 N -2.07 3.69 0.22 2.33 0.00 -1.26 -4.98 121.76 119.68 1ilo s ALA 67 Ca 0.42 -1.70 0.04 0.00 0.00 0.00 0.00 51.96 50.72 1ilo s ALA 67 Cb -0.07 -2.03 -0.03 0.00 0.00 0.00 0.00 23.12 20.99 1ilo s ALA 67 CO 0.35 -1.44 0.35 -1.54 0.00 0.00 0.00 175.76 173.48 1ilo s SER 68 N -4.72 6.33 0.31 0.00 1.04 -1.26 -4.61 113.70 110.79 1ilo s SER 68 Ca 0.66 0.12 0.06 0.00 0.48 0.00 0.00 55.95 57.27 1ilo s SER 68 Cb -0.06 -1.89 0.71 0.00 0.10 0.00 0.00 66.02 64.89 1ilo s SER 68 CO 0.44 -0.05 1.81 0.07 0.98 0.00 0.00 173.24 176.50 1ilo h LYS 69 N 1.43 0.78 -0.48 4.02 2.10 -1.98 -0.20 116.57 122.25 1ilo h LYS 69 Ca -0.51 -0.05 -0.11 0.00 -2.00 0.00 0.00 60.65 57.98 1ilo h LYS 69 Cb 1.22 -0.18 -0.02 0.00 -0.90 0.00 0.00 32.23 32.36 1ilo h LYS 69 CO 0.63 0.52 -0.16 1.49 -2.00 0.00 0.00 179.45 179.94 1ilo h GLU 70 N 0.81 0.92 -0.21 0.07 4.81 -2.00 -2.77 114.58 116.21 1ilo h GLU 70 Ca 0.53 -0.35 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 1ilo h GLU 70 Cb 0.77 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 1ilo h GLU 70 CO -0.31 1.00 0.06 1.49 -0.73 0.00 0.00 179.01 180.52 1ilo h GLU 71 N 0.81 0.29 0.12 1.92 4.57 -1.44 -0.86 114.58 119.99 1ilo h GLU 71 Ca 0.12 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 1ilo h GLU 71 Cb 0.70 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.23 1ilo h GLU 71 CO 0.05 0.27 -0.06 0.82 -1.18 0.00 0.00 179.01 178.91 1ilo h ILE 72 N 0.29 1.06 -0.42 2.32 1.08 -1.16 -1.44 117.51 119.24 1ilo h ILE 72 Ca 0.07 -1.10 0.00 0.00 -0.39 0.00 0.00 64.86 63.44 1ilo h ILE 72 Cb 0.10 1.72 -0.02 0.00 -3.07 0.00 0.00 36.82 35.55 1ilo h ILE 72 CO -0.00 0.25 0.27 0.50 -0.69 0.00 0.00 178.15 178.47 1ilo h LYS 73 N -0.71 0.56 -0.06 2.37 1.63 -1.32 0.16 116.57 119.19 1ilo h LYS 73 Ca -0.02 -0.04 -0.16 0.00 -0.85 0.00 0.00 60.65 59.58 1ilo h LYS 73 Cb 0.53 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.03 1ilo h LYS 73 CO 0.03 0.38 -0.67 -0.22 -3.45 0.00 0.00 179.45 175.52 1ilo h LYS 74 N 0.58 0.28 0.01 1.90 1.63 -1.16 -1.21 116.57 118.58 1ilo h LYS 74 Ca 0.15 -0.21 -0.24 0.00 -0.85 0.00 0.00 60.65 59.50 1ilo h LYS 74 Cb -0.05 0.04 0.01 0.00 -0.60 0.00 0.00 32.23 31.63 1ilo h LYS 74 CO -0.03 0.84 -0.98 0.82 -3.45 0.00 0.00 179.45 176.65 1ilo h ILE 75 N 0.20 1.37 -0.02 2.00 1.08 -0.27 -3.20 117.51 118.67 1ilo h ILE 75 Ca -0.02 -2.42 -0.14 0.00 -0.39 0.00 0.00 64.86 61.90 1ilo h ILE 75 Cb 1.21 2.43 -0.02 0.00 -3.07 0.00 0.00 36.82 37.37 1ilo h ILE 75 CO 0.11 0.73 -0.63 -0.07 -0.69 0.00 0.00 178.15 177.59 1ilo h LEU 76 N 0.27 0.09 0.00 1.44 -0.00 -0.68 -3.51 115.31 112.91 1ilo h LEU 76 Ca -0.09 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.73 1ilo h LEU 76 Cb 1.62 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 42.26 1ilo h LEU 76 CO 0.18 0.70 0.00 -1.54 -0.00 0.00 0.00 178.44 177.77