#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d3b s LYS 8 N 0.00 3.36 0.00 -1.46 1.02 -1.26 -4.63 119.74 116.77 1d3b s LYS 8 Ca 0.00 -1.19 0.00 0.00 0.02 0.00 0.00 55.97 54.80 1d3b s LYS 8 Cb 0.00 -4.63 0.00 0.00 -0.52 0.00 0.00 37.83 32.68 1d3b s LYS 8 CO 0.00 -1.87 0.00 -1.33 -0.92 0.00 0.00 175.35 171.23 1d3b n MET 9 N 7.50 3.23 0.27 1.68 2.81 -1.26 -4.81 117.12 126.54 1d3b n MET 9 Ca 0.12 0.00 0.18 0.00 -1.81 0.00 0.00 57.70 56.18 1d3b n MET 9 Cb 0.48 -0.48 0.78 0.00 -0.71 0.00 0.00 33.22 33.28 1d3b n MET 9 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1d3b h LEU 10 N 0.00 0.00 -0.46 4.03 5.85 -2.01 -2.32 115.31 120.40 1d3b h LEU 10 Ca 0.00 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.56 1d3b h LEU 10 Cb 0.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1d3b h LEU 10 CO 0.00 0.00 -0.74 0.06 -0.34 0.00 0.00 178.44 177.42 1d3b h GLN 11 N 0.00 0.00 -0.00 1.25 3.07 -1.98 -3.17 115.11 114.28 1d3b h GLN 11 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1d3b h GLN 11 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.91 1d3b h GLN 11 CO 0.00 0.74 -0.02 0.72 0.09 0.00 0.00 178.83 180.37 1d3b n HIS 12 N -3.60 0.00 -1.67 0.06 8.25 -0.87 -4.89 115.22 112.50 1d3b n HIS 12 Ca -0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.02 1d3b n HIS 12 Cb 0.73 -0.33 -0.01 0.00 1.12 0.00 0.00 29.99 31.51 1d3b n HIS 12 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1d3b n ILE 13 N -1.31 1.84 -0.02 1.59 2.08 -1.20 -1.81 119.36 120.53 1d3b n ILE 13 Ca 0.12 -0.46 0.00 0.00 0.56 0.00 0.00 62.75 62.98 1d3b n ILE 13 Cb 0.27 -1.43 0.00 0.00 -0.75 0.00 0.00 39.64 37.73 1d3b n ILE 13 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1d3b n ASP 14 N 1.07 0.00 -4.89 4.38 8.00 0.19 -5.01 116.55 120.28 1d3b n ASP 14 Ca 0.07 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.28 1d3b n ASP 14 Cb 0.34 -0.14 0.03 0.00 -0.02 0.00 0.00 41.12 41.33 1d3b n ASP 14 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1d3b s TYR 15 N -2.83 3.39 -0.25 1.24 1.51 -0.75 -4.27 117.35 115.38 1d3b s TYR 15 Ca 0.00 0.94 -0.21 0.00 -1.01 0.00 0.00 57.07 56.78 1d3b s TYR 15 Cb 0.00 -2.81 -0.02 0.00 -0.11 0.00 0.00 41.96 39.03 1d3b s TYR 15 CO 0.00 -0.87 0.67 1.03 -1.11 0.00 0.00 175.55 175.27 1d3b s ARG 16 N -5.13 4.12 0.14 -0.62 1.81 -0.91 -0.68 118.95 117.67 1d3b s ARG 16 Ca 0.55 0.61 0.11 0.00 -1.72 0.00 0.00 55.73 55.28 1d3b s ARG 16 Cb -0.11 -3.65 -0.04 0.00 -0.45 0.00 0.00 34.95 30.70 1d3b s ARG 16 CO 0.49 -0.44 -0.25 -1.64 -0.68 0.00 0.00 175.30 172.78 1d3b s MET 17 N 2.57 1.37 -0.41 3.54 -1.94 -0.09 -0.90 119.30 123.44 1d3b s MET 17 Ca 0.28 -1.35 -0.12 0.00 -1.71 0.00 0.00 55.69 52.78 1d3b s MET 17 Cb -0.15 -1.79 0.05 0.00 2.01 0.00 0.00 34.83 34.94 1d3b s MET 17 CO 0.08 0.42 0.27 0.50 -0.01 0.00 0.00 175.02 176.28 1d3b s ARG 18 N -2.17 2.81 -0.36 2.03 3.52 -0.44 -2.28 118.95 122.05 1d3b s ARG 18 Ca 0.14 -1.23 -0.08 0.00 -0.13 0.00 0.00 55.73 54.43 1d3b s ARG 18 Cb -0.09 -3.85 0.04 0.00 -1.56 0.00 0.00 34.95 29.49 1d3b s ARG 18 CO 0.06 -0.84 0.15 0.00 -0.81 0.00 0.00 175.30 173.87 1d3b s ILE 20 N 1.44 4.88 0.72 0.00 1.01 0.36 -0.40 121.20 129.22 1d3b s ILE 20 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 60.65 60.58 1d3b s ILE 20 Cb -0.20 -3.23 0.07 0.00 0.01 0.00 0.00 42.46 39.11 1d3b s ILE 20 CO 0.04 0.41 1.04 -0.76 0.00 0.00 0.00 174.94 175.67 1d3b s LEU 21 N 0.74 2.78 0.40 2.97 1.43 0.10 -0.92 118.68 126.18 1d3b s LEU 21 Ca 0.05 0.48 0.08 0.00 -1.03 0.00 0.00 54.13 53.70 1d3b s LEU 21 Cb -0.13 -3.09 0.85 0.00 0.03 0.00 0.00 46.19 43.85 1d3b s LEU 21 CO 0.02 -1.66 2.01 -0.61 0.23 0.00 0.00 176.35 176.34 1d3b h GLN 22 N -0.67 0.58 -0.01 1.70 4.15 -1.37 0.11 115.11 119.61 1d3b h GLN 22 Ca -0.44 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.94 1d3b h GLN 22 Cb 1.32 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.87 1d3b h GLN 22 CO 0.60 0.39 -0.04 -0.40 -1.93 0.00 0.00 178.83 177.45 1d3b n ASP 23 N -4.47 0.64 0.00 -0.69 5.68 -1.26 -4.91 116.55 111.53 1d3b n ASP 23 Ca 0.07 -1.03 0.00 0.00 -0.50 0.00 0.00 54.79 53.33 1d3b n ASP 23 Cb 0.16 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 1d3b n ASP 23 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1d3b n GLY 24 N 1.15 0.60 3.77 6.12 0.00 0.40 -5.05 105.19 112.17 1d3b n GLY 24 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1d3b n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1d3b s ARG 25 N -0.91 4.42 -0.24 1.61 0.52 -1.26 -4.73 118.95 118.36 1d3b s ARG 25 Ca 0.00 2.13 -0.01 0.00 -0.52 0.00 0.00 55.73 57.32 1d3b s ARG 25 Cb 0.00 -3.10 0.02 0.00 0.52 0.00 0.00 34.95 32.40 1d3b s ARG 25 CO 0.00 -0.10 -0.08 0.42 0.02 0.00 0.00 175.30 175.56 1d3b s ILE 26 N -1.14 2.82 -0.27 1.52 1.01 -0.38 -0.72 121.20 124.04 1d3b s ILE 26 Ca 0.48 -0.98 -0.10 0.00 0.00 0.00 0.00 60.65 60.05 1d3b s ILE 26 Cb -0.38 -2.40 -0.05 0.00 0.01 0.00 0.00 42.46 39.64 1d3b s ILE 26 CO 0.50 0.25 0.17 -0.36 0.00 0.00 0.00 174.94 175.50 1d3b s PHE 27 N 1.33 3.22 -0.19 3.97 0.40 0.47 -0.30 117.98 126.88 1d3b s PHE 27 Ca 0.01 0.06 -0.00 0.00 -0.60 0.00 0.00 56.93 56.40 1d3b s PHE 27 Cb -0.16 -2.34 0.01 0.00 0.51 0.00 0.00 43.02 41.04 1d3b s PHE 27 CO -0.05 -0.14 -0.16 0.42 0.70 0.00 0.00 175.22 175.99 1d3b s ILE 28 N 1.60 2.41 0.38 0.64 1.01 0.13 0.33 121.20 127.70 1d3b s ILE 28 Ca 0.07 -0.82 -0.15 0.00 0.00 0.00 0.00 60.65 59.75 1d3b s ILE 28 Cb -0.15 -2.04 0.05 0.00 0.01 0.00 0.00 42.46 40.33 1d3b s ILE 28 CO 0.09 0.51 0.77 -0.83 0.00 0.00 0.00 174.94 175.47 1d3b s GLY 29 N 1.33 0.41 -0.28 6.18 0.00 -0.97 -1.01 107.32 112.98 1d3b s GLY 29 Ca 0.05 -0.77 -0.22 0.00 0.00 0.00 0.00 44.72 43.78 1d3b s GLY 29 CO -0.10 -0.34 0.70 -1.59 0.00 0.00 0.00 173.10 171.76 1d3b s THR 30 N -2.44 4.90 -0.36 0.90 2.01 0.13 -0.92 115.64 119.87 1d3b s THR 30 Ca 0.16 1.13 -0.29 0.00 0.31 0.00 0.00 61.69 63.00 1d3b s THR 30 Cb -0.05 -4.03 -0.01 0.00 0.01 0.00 0.00 72.50 68.42 1d3b s THR 30 CO 0.12 -0.10 1.63 0.12 -0.69 0.00 0.00 174.62 175.69 1d3b s PHE 31 N 2.69 2.07 -0.09 4.92 5.36 0.14 0.01 117.98 133.08 1d3b s PHE 31 Ca 0.29 0.64 0.09 0.00 -0.96 0.00 0.00 56.93 56.98 1d3b s PHE 31 Cb -0.15 -4.20 -0.13 0.00 -0.34 0.00 0.00 43.02 38.21 1d3b s PHE 31 CO 0.10 -2.56 0.23 1.63 -1.46 0.00 0.00 175.22 173.16 1d3b n LYS 32 N 8.24 1.04 -3.49 10.12 4.76 0.12 0.54 118.16 139.49 1d3b n LYS 32 Ca 0.20 -0.06 -0.13 0.00 -2.87 0.00 0.00 58.31 55.45 1d3b n LYS 32 Cb 0.47 -1.15 -0.04 0.00 -1.84 0.00 0.00 35.03 32.47 1d3b n LYS 32 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1d3b s ALA 33 N -2.46 -1.76 0.34 7.82 0.00 -1.20 -4.88 121.76 119.62 1d3b s ALA 33 Ca -0.02 1.03 -0.14 0.00 0.00 0.00 0.00 51.96 52.83 1d3b s ALA 33 Cb 0.06 0.26 0.03 0.00 0.00 0.00 0.00 23.12 23.47 1d3b s ALA 33 CO 0.37 -0.56 0.68 -0.59 0.00 0.00 0.00 175.76 175.66 1d3b s PHE 34 N -2.43 0.24 0.31 0.00 -0.12 -1.26 -1.00 117.98 113.71 1d3b s PHE 34 Ca -0.02 -0.75 -0.04 0.00 -0.05 0.00 0.00 56.93 56.07 1d3b s PHE 34 Cb -0.01 0.58 0.02 0.00 -0.63 0.00 0.00 43.02 42.98 1d3b s PHE 34 CO -0.03 -1.36 0.48 -0.40 -0.05 0.00 0.00 175.22 173.86 1d3b n ASP 35 N -1.08 -1.35 0.24 1.98 5.68 -1.09 -4.94 116.55 116.00 1d3b n ASP 35 Ca -0.05 -2.56 0.07 0.00 -0.50 0.00 0.00 54.79 51.75 1d3b n ASP 35 Cb 0.60 2.43 0.58 0.00 -1.14 0.00 0.00 41.12 43.59 1d3b n ASP 35 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1d3b h LYS 36 N 0.00 0.00 0.00 0.11 2.10 -2.02 -0.21 116.57 116.56 1d3b h LYS 36 Ca -0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 1d3b h LYS 36 Cb 1.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.35 1d3b h LYS 36 CO 0.33 0.13 -0.00 0.72 -2.00 0.00 0.00 179.45 178.62 1d3b n HIS 37 N -4.26 0.61 -0.65 0.07 8.25 -1.26 -4.91 115.22 113.08 1d3b n HIS 37 Ca -0.03 0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 1d3b n HIS 37 Cb 0.20 -0.79 0.00 0.00 1.12 0.00 0.00 29.99 30.52 1d3b n HIS 37 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1d3b n MET 38 N -2.00 0.00 -2.25 -0.41 2.81 -0.09 -4.29 117.12 110.90 1d3b n MET 38 Ca 0.06 0.31 -0.42 0.00 -1.81 0.00 0.00 57.70 55.84 1d3b n MET 38 Cb 0.40 -2.56 -0.03 0.00 -0.71 0.00 0.00 33.22 30.32 1d3b n MET 38 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1d3b s ASN 39 N -2.62 6.91 0.20 7.83 0.01 -1.26 -3.22 114.94 122.79 1d3b s ASN 39 Ca 0.00 2.26 0.11 0.00 -0.71 0.00 0.00 52.86 54.52 1d3b s ASN 39 Cb 0.00 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 39.03 1d3b s ASN 39 CO 0.00 -0.57 -0.19 -0.76 -1.51 0.00 0.00 177.10 174.07 1d3b s LEU 40 N 0.79 2.61 -0.28 0.60 1.43 0.34 -2.67 118.68 121.49 1d3b s LEU 40 Ca 0.61 -0.79 -0.05 0.00 -1.03 0.00 0.00 54.13 52.87 1d3b s LEU 40 Cb -0.35 -1.31 0.02 0.00 0.03 0.00 0.00 46.19 44.58 1d3b s LEU 40 CO 0.32 0.11 0.03 -0.63 0.23 0.00 0.00 176.35 176.41 1d3b s ILE 41 N -1.74 3.59 -0.25 -0.59 -1.09 -0.17 -0.32 121.20 120.63 1d3b s ILE 41 Ca 0.23 -0.83 0.01 0.00 -2.23 0.00 0.00 60.65 57.83 1d3b s ILE 41 Cb -0.08 -2.85 0.04 0.00 -1.58 0.00 0.00 42.46 37.99 1d3b s ILE 41 CO 0.12 0.10 -0.11 -0.76 -1.23 0.00 0.00 174.94 173.06 1d3b s LEU 42 N 1.43 3.18 0.31 2.97 1.43 0.93 -0.70 118.68 128.23 1d3b s LEU 42 Ca 0.01 -1.14 -0.08 0.00 -1.03 0.00 0.00 54.13 51.89 1d3b s LEU 42 Cb -0.17 -1.57 -0.06 0.00 0.03 0.00 0.00 46.19 44.42 1d3b s LEU 42 CO 0.00 -0.15 0.62 0.00 0.23 0.00 0.00 176.35 177.06 1d3b n ASP 44 N -0.82 -2.32 -4.86 0.00 8.00 -1.07 0.17 116.55 115.66 1d3b n ASP 44 Ca 0.00 -1.01 -0.37 0.00 0.71 0.00 0.00 54.79 54.12 1d3b n ASP 44 Cb 0.54 -3.18 -0.06 0.00 -0.02 0.00 0.00 41.12 38.40 1d3b n ASP 44 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1d3b s ASP 46 N -0.98 2.43 -0.10 0.00 1.01 -0.18 -0.69 116.67 118.17 1d3b s ASP 46 Ca 0.18 -0.75 0.01 0.00 0.71 0.00 0.00 52.55 52.69 1d3b s ASP 46 Cb -0.13 -0.13 -0.02 0.00 1.01 0.00 0.00 42.92 43.65 1d3b s ASP 46 CO 0.07 -0.01 -0.12 -0.70 0.21 0.00 0.00 175.17 174.62 1d3b s GLU 47 N -2.28 3.09 -0.08 8.23 2.12 0.14 -0.69 118.70 129.23 1d3b s GLU 47 Ca 0.09 -0.66 0.04 0.00 0.36 0.00 0.00 54.97 54.81 1d3b s GLU 47 Cb -0.08 -2.58 -0.01 0.00 0.26 0.00 0.00 34.13 31.72 1d3b s GLU 47 CO 0.05 0.39 -0.22 -0.06 -0.54 0.00 0.00 175.26 174.87 1d3b s PHE 48 N -0.09 2.54 0.04 5.30 0.40 0.60 -0.88 117.98 125.88 1d3b s PHE 48 Ca -0.01 -0.77 0.06 0.00 -0.60 0.00 0.00 56.93 55.61 1d3b s PHE 48 Cb -0.14 -1.67 -0.02 0.00 0.51 0.00 0.00 43.02 41.70 1d3b s PHE 48 CO 0.03 -0.25 -0.18 -0.98 0.70 0.00 0.00 175.22 174.55 1d3b s ARG 49 N 0.01 1.20 -0.23 0.44 1.70 0.26 -1.25 118.95 121.08 1d3b s ARG 49 Ca -0.08 -0.83 -0.03 0.00 -0.47 0.00 0.00 55.73 54.32 1d3b s ARG 49 Cb -0.15 -1.26 0.01 0.00 -0.57 0.00 0.00 34.95 32.98 1d3b s ARG 49 CO 0.05 0.32 -0.06 0.15 -1.08 0.00 0.00 175.30 174.68 1d3b s LYS 50 N -1.08 3.11 -0.11 3.89 1.02 -1.26 -0.90 119.74 124.40 1d3b s LYS 50 Ca 0.05 -0.80 0.01 0.00 0.02 0.00 0.00 55.97 55.26 1d3b s LYS 50 Cb -0.08 -2.98 -0.01 0.00 -0.52 0.00 0.00 37.83 34.24 1d3b s LYS 50 CO 0.01 -0.29 -0.17 0.42 -0.92 0.00 0.00 175.35 174.40 1d3b s ILE 51 N 1.40 2.75 -0.34 2.17 1.01 0.72 -4.96 121.20 123.94 1d3b s ILE 51 Ca 0.03 -0.78 -0.10 0.00 0.00 0.00 0.00 60.65 59.80 1d3b s ILE 51 Cb -0.15 -2.12 0.01 0.00 0.01 0.00 0.00 42.46 40.21 1d3b s ILE 51 CO -0.04 0.54 0.18 -0.75 0.00 0.00 0.00 174.94 174.86 1d3b s LYS 52 N 0.26 3.04 0.73 2.79 2.20 -1.26 0.28 119.74 127.77 1d3b s LYS 52 Ca -0.11 -0.93 -0.15 0.00 -0.36 0.00 0.00 55.97 54.42 1d3b s LYS 52 Cb -0.16 -3.64 0.04 0.00 -1.51 0.00 0.00 37.83 32.56 1d3b s LYS 52 CO 0.06 -0.57 1.22 -2.14 -0.36 0.00 0.00 175.35 173.56 1d3b s PRO 53 N 1.57 2.10 0.17 4.03 0.02 -1.26 -4.93 135.00 136.70 1d3b s PRO 53 Ca 0.03 1.81 -0.10 0.00 0.02 0.00 0.00 61.00 62.77 1d3b s PRO 53 Cb -0.18 -1.82 0.04 0.00 0.02 0.00 0.00 34.50 32.56 1d3b s PRO 53 CO 0.06 -1.88 1.61 0.87 -0.33 0.00 0.00 177.00 177.33 1d3b h LYS 54 N -0.28 1.03 -6.26 5.54 1.57 -1.98 -3.41 116.57 112.80 1d3b h LYS 54 Ca -0.48 -0.36 -0.56 0.00 -1.87 0.00 0.00 60.65 57.38 1d3b h LYS 54 Cb 1.30 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.52 1d3b h LYS 54 CO 0.49 1.05 1.12 1.21 -0.57 0.00 0.00 179.45 182.75 1d3b s ASN 55 N -6.59 6.49 0.32 0.86 3.84 -1.26 -4.90 114.94 113.71 1d3b s ASN 55 Ca -0.12 1.94 0.25 0.00 0.21 0.00 0.00 52.86 55.15 1d3b s ASN 55 Cb 0.13 -2.53 1.11 0.00 -0.55 0.00 0.00 41.25 39.41 1d3b s ASN 55 CO 0.86 -1.11 1.76 0.77 -2.79 0.00 0.00 177.10 176.59 1d3b h SER 56 N 10.28 0.00 0.31 -4.21 4.64 -2.01 -2.57 113.55 119.99 1d3b h SER 56 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1d3b h SER 56 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1d3b h SER 56 CO 0.98 0.00 -0.11 0.29 -0.87 0.00 0.00 176.83 177.12 1d3b n LYS 57 N -2.39 0.77 -3.95 4.77 5.02 -1.26 -4.84 118.16 116.27 1d3b n LYS 57 Ca 0.01 -0.28 -0.32 0.00 -2.02 0.00 0.00 58.31 55.70 1d3b n LYS 57 Cb 0.21 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.67 1d3b n LYS 57 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1d3b s GLN 58 N -2.42 3.32 0.35 1.97 -1.52 -0.97 -5.10 119.66 115.28 1d3b s GLN 58 Ca 0.30 -0.45 -0.05 0.00 -1.95 0.00 0.00 55.36 53.21 1d3b s GLN 58 Cb 0.20 -2.99 -0.05 0.00 -0.22 0.00 0.00 33.01 29.96 1d3b s GLN 58 CO 0.46 0.63 0.63 0.00 -0.25 0.00 0.00 175.29 176.76 1d3b s ALA 59 N -1.41 3.56 0.41 6.09 0.00 -1.26 -4.75 121.76 124.40 1d3b s ALA 59 Ca 0.31 -0.58 -0.25 0.00 0.00 0.00 0.00 51.96 51.45 1d3b s ALA 59 Cb -0.13 -2.37 -0.11 0.00 0.00 0.00 0.00 23.12 20.52 1d3b s ALA 59 CO 0.23 0.04 1.00 -1.91 0.00 0.00 0.00 175.76 175.12 1d3b n GLU 60 N -1.42 1.35 -4.38 0.00 2.13 -1.26 -4.60 120.64 112.46 1d3b n GLU 60 Ca -0.01 0.48 -0.19 0.00 0.66 0.00 0.00 57.16 58.10 1d3b n GLU 60 Cb 0.55 -2.02 -0.10 0.00 0.27 0.00 0.00 31.44 30.13 1d3b n GLU 60 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 1d3b s ARG 61 N -1.97 1.54 0.05 5.31 1.70 0.14 -4.96 118.95 120.76 1d3b s ARG 61 Ca 0.63 -1.85 0.05 0.00 -0.47 0.00 0.00 55.73 54.08 1d3b s ARG 61 Cb -0.57 -0.51 -0.02 0.00 -0.57 0.00 0.00 34.95 33.28 1d3b s ARG 61 CO 0.57 -0.27 -0.14 -2.00 -1.08 0.00 0.00 175.30 172.38 1d3b s GLU 62 N -3.95 0.91 0.01 3.89 2.12 -1.26 -0.20 118.70 120.21 1d3b s GLU 62 Ca 0.36 -0.80 0.06 0.00 0.36 0.00 0.00 54.97 54.95 1d3b s GLU 62 Cb 0.08 -0.92 -0.02 0.00 0.26 0.00 0.00 34.13 33.53 1d3b s GLU 62 CO 0.15 0.22 -0.19 -1.21 -0.54 0.00 0.00 175.26 173.69 1d3b s GLU 63 N -1.28 1.41 -0.04 4.30 2.02 -0.08 -4.97 118.70 120.07 1d3b s GLU 63 Ca 0.01 -0.74 0.03 0.00 0.02 0.00 0.00 54.97 54.29 1d3b s GLU 63 Cb -0.08 -1.41 0.00 0.00 0.10 0.00 0.00 34.13 32.74 1d3b s GLU 63 CO 0.01 0.38 -0.12 0.21 0.02 0.00 0.00 175.26 175.76 1d3b s LYS 64 N -0.69 1.32 -0.09 1.61 2.20 -1.26 -0.58 119.74 122.25 1d3b s LYS 64 Ca 0.07 -0.42 0.02 0.00 -0.36 0.00 0.00 55.97 55.28 1d3b s LYS 64 Cb -0.08 -1.18 0.01 0.00 -1.51 0.00 0.00 37.83 35.08 1d3b s LYS 64 CO 0.00 0.15 -0.16 1.03 -0.36 0.00 0.00 175.35 176.01 1d3b s ARG 65 N 0.19 2.16 -0.20 4.03 0.52 -0.06 -4.97 118.95 120.62 1d3b s ARG 65 Ca -0.05 -0.56 -0.24 0.00 -0.52 0.00 0.00 55.73 54.36 1d3b s ARG 65 Cb -0.10 -1.76 -0.01 0.00 0.52 0.00 0.00 34.95 33.59 1d3b s ARG 65 CO 0.01 0.02 0.81 0.08 0.02 0.00 0.00 175.30 176.24 1d3b s VAL 66 N 0.74 4.88 -0.10 3.52 1.01 -1.26 -0.68 120.40 128.51 1d3b s VAL 66 Ca -0.12 1.56 -0.13 0.00 0.00 0.00 0.00 61.98 63.28 1d3b s VAL 66 Cb -0.16 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1d3b s VAL 66 CO 0.03 0.01 -0.25 0.18 0.00 0.00 0.00 175.10 175.06 1d3b n LEU 67 N 5.45 1.71 0.00 3.92 4.77 0.14 -4.98 117.00 128.01 1d3b n LEU 67 Ca 0.04 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 1d3b n LEU 67 Cb 0.48 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1d3b n LEU 67 CO 0.47 -0.40 0.00 0.61 -1.33 0.00 0.00 177.39 176.74 1d3b n GLY 68 N 2.02 0.13 3.54 -0.72 0.00 -0.49 -4.94 105.19 104.75 1d3b n GLY 68 Ca -0.10 -1.46 -0.43 0.00 0.00 0.00 0.00 46.02 44.02 1d3b n GLY 68 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1d3b s LEU 69 N 0.00 4.22 -0.07 0.99 2.96 -1.26 -0.25 118.68 125.26 1d3b s LEU 69 Ca 0.00 -0.08 0.04 0.00 -0.22 0.00 0.00 54.13 53.87 1d3b s LEU 69 Cb 0.00 -3.00 -0.02 0.00 0.50 0.00 0.00 46.19 43.68 1d3b s LEU 69 CO 0.00 -0.94 -0.18 -0.69 -1.32 0.00 0.00 176.35 173.22 1d3b s VAL 70 N 3.36 2.67 -0.35 1.68 1.01 -0.16 -4.99 120.40 123.62 1d3b s VAL 70 Ca 0.31 -0.84 -0.09 0.00 0.00 0.00 0.00 61.98 61.36 1d3b s VAL 70 Cb -0.12 -2.04 0.03 0.00 0.00 0.00 0.00 36.38 34.25 1d3b s VAL 70 CO 0.23 0.57 0.16 -0.22 0.00 0.00 0.00 175.10 175.84 1d3b s LEU 71 N -0.23 4.46 -0.25 3.92 0.20 -1.26 -0.05 118.68 125.48 1d3b s LEU 71 Ca -0.00 -0.97 -0.11 0.00 0.69 0.00 0.00 54.13 53.74 1d3b s LEU 71 Cb -0.13 -1.96 -0.05 0.00 -0.43 0.00 0.00 46.19 43.62 1d3b s LEU 71 CO 0.03 -0.33 0.18 -0.22 -0.29 0.00 0.00 176.35 175.71 1d3b s LEU 72 N 1.51 4.10 0.07 -0.68 2.96 0.56 -4.93 118.68 122.26 1d3b s LEU 72 Ca 0.01 0.10 -0.31 0.00 -0.22 0.00 0.00 54.13 53.72 1d3b s LEU 72 Cb -0.19 -2.12 -0.06 0.00 0.50 0.00 0.00 46.19 44.32 1d3b s LEU 72 CO 0.05 0.03 1.24 -0.13 -1.32 0.00 0.00 176.35 176.23 1d3b s ARG 73 N 1.22 4.40 0.50 1.98 0.52 -1.26 -0.50 118.95 125.81 1d3b s ARG 73 Ca 0.08 1.83 0.28 0.00 -0.52 0.00 0.00 55.73 57.40 1d3b s ARG 73 Cb -0.14 -3.34 1.32 0.00 0.52 0.00 0.00 34.95 33.31 1d3b s ARG 73 CO 0.06 -0.31 2.00 0.78 0.02 0.00 0.00 175.30 177.85 1d3b h GLY 74 N 6.87 0.00 1.14 -3.53 0.00 -1.73 -3.21 103.07 102.60 1d3b h GLY 74 Ca -0.41 0.00 0.08 0.00 0.00 0.00 0.00 47.33 46.99 1d3b h GLY 74 CO 0.83 0.00 0.39 -2.09 0.00 0.00 0.00 176.54 175.66 1d3b h GLU 75 N 0.00 0.46 0.00 4.80 4.81 -1.88 -1.14 114.58 121.63 1d3b h GLU 75 Ca -0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1d3b h GLU 75 Cb 0.47 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1d3b h GLU 75 CO 0.02 0.30 -0.78 0.09 -0.73 0.00 0.00 179.01 177.91 1d3b n ASN 76 N -4.47 0.64 -4.67 1.04 3.02 -1.21 -4.91 115.26 104.70 1d3b n ASN 76 Ca 0.09 -0.33 -0.43 0.00 -0.03 0.00 0.00 54.58 53.88 1d3b n ASN 76 Cb 0.30 0.56 -0.02 0.00 -0.61 0.00 0.00 39.78 40.01 1d3b n ASN 76 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1d3b s LEU 77 N -3.43 4.21 -0.03 3.41 2.96 -0.43 -0.94 118.68 124.44 1d3b s LEU 77 Ca 0.07 1.77 0.07 0.00 -0.22 0.00 0.00 54.13 55.82 1d3b s LEU 77 Cb 0.16 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 43.20 1d3b s LEU 77 CO 0.77 -0.74 0.12 0.52 -1.32 0.00 0.00 176.35 175.70 1d3b n VAL 78 N 5.21 0.13 -3.64 1.68 0.31 -0.09 -4.90 118.33 117.02 1d3b n VAL 78 Ca 0.14 -0.20 -0.13 0.00 -0.01 0.00 0.00 64.34 64.14 1d3b n VAL 78 Cb 0.45 0.01 -0.06 0.00 -0.91 0.00 0.00 33.84 33.33 1d3b n VAL 78 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1d3b s SER 79 N -3.10 -0.34 -0.11 4.52 0.15 -0.79 -5.02 113.70 109.01 1d3b s SER 79 Ca -0.03 0.09 -0.05 0.00 0.70 0.00 0.00 55.95 56.67 1d3b s SER 79 Cb 0.04 0.44 0.06 0.00 -1.71 0.00 0.00 66.02 64.84 1d3b s SER 79 CO 0.29 -0.65 0.24 -0.04 1.20 0.00 0.00 173.24 174.27 1d3b s MET 80 N -2.29 0.15 0.18 5.44 -1.94 -1.26 -0.48 119.30 119.10 1d3b s MET 80 Ca -0.06 0.64 0.06 0.00 -1.71 0.00 0.00 55.69 54.62 1d3b s MET 80 Cb -0.01 -0.10 -0.05 0.00 2.01 0.00 0.00 34.83 36.68 1d3b s MET 80 CO -0.01 -0.25 -0.13 0.95 -0.01 0.00 0.00 175.02 175.58 1d3b s THR 81 N 2.01 1.48 -0.07 2.05 -4.23 -0.40 -4.99 115.64 111.48 1d3b s THR 81 Ca -0.02 -2.14 -0.29 0.00 -1.18 0.00 0.00 61.69 58.06 1d3b s THR 81 Cb -0.12 -1.95 -0.02 0.00 1.34 0.00 0.00 72.50 71.76 1d3b s THR 81 CO -0.08 -0.66 0.97 -0.69 -0.54 0.00 0.00 174.62 173.62 1d3b s VAL 82 N -3.12 4.84 -0.18 2.29 1.01 -1.26 -1.33 120.40 122.64 1d3b s VAL 82 Ca 0.20 1.99 0.18 0.00 0.00 0.00 0.00 61.98 64.34 1d3b s VAL 82 Cb 0.01 -4.29 -0.25 0.00 0.00 0.00 0.00 36.38 31.85 1d3b s VAL 82 CO 0.04 0.07 0.13 -0.62 0.00 0.00 0.00 175.10 174.72 1d3b n GLU 83 N 4.57 0.68 -3.60 2.72 -0.58 -0.07 -4.83 120.64 119.52 1d3b n GLU 83 Ca 0.07 0.01 -0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1d3b n GLU 83 Cb 0.50 -1.54 -0.01 0.00 -0.57 0.00 0.00 31.44 29.81 1d3b n GLU 83 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1d3b s GLY 84 N -5.44 -0.35 1.10 0.62 0.00 -1.06 -5.03 107.32 97.17 1d3b s GLY 84 Ca -0.10 1.35 -0.13 0.00 0.00 0.00 0.00 44.72 45.84 1d3b s GLY 84 CO 0.83 0.39 1.06 2.56 0.00 0.00 0.00 173.10 177.94 1d3b s PRO 85 N -2.17 -0.37 0.33 2.90 0.04 -1.26 -2.14 135.00 132.32 1d3b s PRO 85 Ca 0.13 0.59 -0.29 0.00 0.04 0.00 0.00 61.00 61.47 1d3b s PRO 85 Cb 0.03 -1.64 -0.10 0.00 0.04 0.00 0.00 34.50 32.82 1d3b s PRO 85 CO -0.04 -3.29 1.39 -2.14 0.04 0.00 0.00 177.00 172.96 1d3b s PRO 86 N -4.76 4.26 0.00 0.56 0.02 -1.26 -4.01 135.00 129.81 1d3b s PRO 86 Ca 0.67 2.35 0.10 0.00 0.02 0.00 0.00 61.00 64.14 1d3b s PRO 86 Cb -0.21 -3.05 0.59 0.00 0.02 0.00 0.00 34.50 31.85 1d3b s PRO 86 CO 0.61 -0.35 1.03 -2.30 -0.33 0.00 0.00 177.00 175.66