#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d3b s VAL 3 N 0.00 2.29 0.00 12.58 1.01 -1.26 -1.33 120.40 133.68 1d3b s VAL 3 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.19 1d3b s VAL 3 Cb 0.00 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1d3b s VAL 3 CO 0.00 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.73 1d3b n GLY 4 N 3.47 0.86 2.98 4.51 0.00 -1.26 -5.02 105.19 110.73 1d3b n GLY 4 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1d3b n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d3b s LYS 5 N -0.49 1.94 0.22 1.61 -0.14 -0.44 -5.01 119.74 117.42 1d3b s LYS 5 Ca 0.00 -2.44 -0.09 0.00 -1.36 0.00 0.00 55.97 52.08 1d3b s LYS 5 Cb 0.00 -3.35 0.35 0.00 -1.68 0.00 0.00 37.83 33.15 1d3b s LYS 5 CO 0.00 -1.08 1.68 0.77 -0.76 0.00 0.00 175.35 175.96 1d3b h SER 6 N 6.82 -0.10 0.23 2.83 0.02 -1.95 -0.07 113.55 121.32 1d3b h SER 6 Ca -0.07 0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 1d3b h SER 6 Cb 0.93 0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.68 1d3b h SER 6 CO 0.66 -0.06 -0.15 0.77 -1.14 0.00 0.00 176.83 176.91 1d3b h SER 7 N 0.21 0.00 0.68 3.07 4.64 -1.95 -0.45 113.55 119.74 1d3b h SER 7 Ca 0.35 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.41 1d3b h SER 7 Cb 0.57 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.64 1d3b h SER 7 CO -0.49 0.15 -1.32 0.11 -0.87 0.00 0.00 176.83 174.41 1d3b h LYS 8 N 0.00 0.13 -0.05 4.77 1.57 -1.55 -3.34 116.57 118.11 1d3b h LYS 8 Ca -0.00 -0.22 -0.17 0.00 -1.87 0.00 0.00 60.65 58.38 1d3b h LYS 8 Cb 0.31 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1d3b h LYS 8 CO 0.02 1.00 -0.72 0.52 -0.57 0.00 0.00 179.45 179.70 1d3b h MET 9 N 0.04 0.25 -0.71 3.15 2.86 -0.23 -3.04 114.93 117.24 1d3b h MET 9 Ca -0.15 -0.21 0.10 0.00 -2.06 0.00 0.00 59.70 57.37 1d3b h MET 9 Cb 1.92 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 33.58 1d3b h MET 9 CO 0.15 0.87 0.47 1.25 1.06 0.00 0.00 176.91 180.70 1d3b h LEU 10 N 0.17 0.54 -2.43 1.22 5.85 -1.23 -1.74 115.31 117.68 1d3b h LEU 10 Ca -0.02 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1d3b h LEU 10 Cb 1.28 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 1d3b h LEU 10 CO 0.11 0.32 -0.03 1.56 -0.34 0.00 0.00 178.44 180.07 1d3b h GLN 11 N 0.60 0.00 -0.46 1.25 1.08 -1.67 -2.58 115.11 113.33 1d3b h GLN 11 Ca 0.33 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.53 1d3b h GLN 11 Cb 0.48 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1d3b h GLN 11 CO -0.11 0.03 0.00 0.72 -0.95 0.00 0.00 178.83 178.51 1d3b n HIS 12 N -3.66 0.60 -1.72 2.96 8.25 -0.65 -4.96 115.22 116.03 1d3b n HIS 12 Ca -0.03 -0.30 -0.42 0.00 -0.26 0.00 0.00 57.72 56.71 1d3b n HIS 12 Cb 0.12 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.22 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 1.27 1.56 0.00 1.59 2.08 -0.97 -1.70 119.36 123.18 1d3b n ILE 13 Ca 0.20 -0.39 0.00 0.00 0.56 0.00 0.00 62.75 63.12 1d3b n ILE 13 Cb 0.54 -1.74 0.00 0.00 -0.75 0.00 0.00 39.64 37.69 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 1.30 0.00 -4.79 4.38 10.43 0.20 -4.98 116.55 123.09 1d3b n ASP 14 Ca 0.06 0.00 -0.30 0.00 2.57 0.00 0.00 54.79 57.12 1d3b n ASP 14 Cb 0.36 0.00 0.09 0.00 1.84 0.00 0.00 41.12 43.41 1d3b n ASP 14 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1d3b s TYR 15 N -1.64 2.79 -0.32 1.24 1.51 -0.69 -3.86 117.35 116.38 1d3b s TYR 15 Ca 0.00 1.28 -0.28 0.00 -1.01 0.00 0.00 57.07 57.06 1d3b s TYR 15 Cb 0.00 -3.06 0.01 0.00 -0.11 0.00 0.00 41.96 38.80 1d3b s TYR 15 CO 0.00 -1.74 1.02 1.03 -1.11 0.00 0.00 175.55 174.75 1d3b s ARG 16 N -5.07 4.05 0.05 -0.62 1.81 0.33 -1.41 118.95 118.08 1d3b s ARG 16 Ca 0.61 0.99 0.08 0.00 -1.72 0.00 0.00 55.73 55.68 1d3b s ARG 16 Cb -0.15 -3.73 -0.03 0.00 -0.45 0.00 0.00 34.95 30.58 1d3b s ARG 16 CO 0.55 -0.86 -0.20 -1.64 -0.68 0.00 0.00 175.30 172.47 1d3b s MET 17 N 3.51 1.98 -0.36 3.54 -1.94 0.52 0.18 119.30 126.73 1d3b s MET 17 Ca 0.43 -1.03 -0.14 0.00 -1.71 0.00 0.00 55.69 53.24 1d3b s MET 17 Cb -0.13 -2.13 -0.01 0.00 2.01 0.00 0.00 34.83 34.58 1d3b s MET 17 CO 0.15 0.53 0.29 0.50 -0.01 0.00 0.00 175.02 176.48 1d3b s ARG 18 N -1.43 3.39 -0.28 2.03 3.52 0.77 -2.31 118.95 124.63 1d3b s ARG 18 Ca 0.14 -0.67 -0.07 0.00 -0.13 0.00 0.00 55.73 55.00 1d3b s ARG 18 Cb -0.10 -3.85 0.00 0.00 -1.56 0.00 0.00 34.95 29.44 1d3b s ARG 18 CO 0.05 -0.55 0.08 0.00 -0.81 0.00 0.00 175.30 174.07 1d3b s ILE 20 N 1.53 4.13 0.69 0.00 1.01 0.71 0.26 121.20 129.53 1d3b s ILE 20 Ca 0.04 -0.26 -0.08 0.00 0.00 0.00 0.00 60.65 60.34 1d3b s ILE 20 Cb -0.17 -2.84 0.05 0.00 0.01 0.00 0.00 42.46 39.51 1d3b s ILE 20 CO 0.03 0.46 1.02 -0.76 0.00 0.00 0.00 174.94 175.69 1d3b s LEU 21 N 0.61 2.87 0.48 2.97 1.43 -0.31 -0.45 118.68 126.28 1d3b s LEU 21 Ca -0.00 0.65 0.16 0.00 -1.03 0.00 0.00 54.13 53.91 1d3b s LEU 21 Cb -0.14 -3.33 1.17 0.00 0.03 0.00 0.00 46.19 43.92 1d3b s LEU 21 CO 0.02 -1.49 2.05 -0.61 0.23 0.00 0.00 176.35 176.56 1d3b h GLN 22 N -0.58 0.19 -0.23 1.70 4.15 -0.64 -1.39 115.11 118.32 1d3b h GLN 22 Ca -0.45 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.96 1d3b h GLN 22 Cb 1.30 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.94 1d3b h GLN 22 CO 0.62 0.13 0.00 -0.40 -1.93 0.00 0.00 178.83 177.24 1d3b n ASP 23 N -4.47 1.72 0.00 -0.69 5.68 -1.26 -4.92 116.55 112.61 1d3b n ASP 23 Ca 0.04 -1.80 0.00 0.00 -0.50 0.00 0.00 54.79 52.53 1d3b n ASP 23 Cb 0.28 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 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 1.10 0.69 3.76 6.12 0.00 -0.52 -5.04 105.19 111.30 1d3b n GLY 24 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.76 4.18 -0.10 1.61 0.52 -1.26 -4.72 118.95 118.42 1d3b s ARG 25 Ca 0.00 2.46 0.02 0.00 -0.52 0.00 0.00 55.73 57.69 1d3b s ARG 25 Cb 0.00 -3.03 -0.02 0.00 0.52 0.00 0.00 34.95 32.42 1d3b s ARG 25 CO 0.00 -0.48 -0.15 0.42 0.02 0.00 0.00 175.30 175.11 1d3b s ILE 26 N -0.58 2.91 -0.21 1.52 1.01 -0.21 -1.16 121.20 124.49 1d3b s ILE 26 Ca 0.56 -0.73 -0.02 0.00 0.00 0.00 0.00 60.65 60.46 1d3b s ILE 26 Cb -0.45 -2.18 0.00 0.00 0.01 0.00 0.00 42.46 39.84 1d3b s ILE 26 CO 0.53 0.55 -0.10 -0.36 0.00 0.00 0.00 174.94 175.56 1d3b s PHE 27 N 0.01 2.90 -0.20 3.97 0.40 0.14 -0.48 117.98 124.72 1d3b s PHE 27 Ca -0.05 -1.21 -0.02 0.00 -0.60 0.00 0.00 56.93 55.05 1d3b s PHE 27 Cb -0.14 -2.04 0.00 0.00 0.51 0.00 0.00 43.02 41.35 1d3b s PHE 27 CO 0.04 -0.65 -0.10 0.42 0.70 0.00 0.00 175.22 175.63 1d3b s ILE 28 N 1.41 2.86 0.35 0.64 1.01 0.46 0.12 121.20 128.05 1d3b s ILE 28 Ca 0.05 -0.67 -0.13 0.00 0.00 0.00 0.00 60.65 59.91 1d3b s ILE 28 Cb -0.14 -2.27 0.05 0.00 0.01 0.00 0.00 42.46 40.11 1d3b s ILE 28 CO -0.07 0.47 0.70 0.61 0.00 0.00 0.00 174.94 176.65 1d3b n GLY 29 N 4.72 1.11 3.58 6.18 0.00 -0.98 -0.44 105.19 119.36 1d3b n GLY 29 Ca -0.19 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 1d3b n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1d3b s THR 30 N -2.21 4.72 -0.56 2.61 2.01 -0.27 -0.36 115.64 121.59 1d3b s THR 30 Ca 0.14 0.87 -0.28 0.00 0.31 0.00 0.00 61.69 62.73 1d3b s THR 30 Cb -0.04 -4.22 0.01 0.00 0.01 0.00 0.00 72.50 68.26 1d3b s THR 30 CO 0.11 -0.45 1.41 0.12 -0.69 0.00 0.00 174.62 175.11 1d3b s PHE 31 N 3.12 2.29 -0.19 4.92 5.36 -0.50 -0.57 117.98 132.40 1d3b s PHE 31 Ca 0.31 0.47 0.18 0.00 -0.96 0.00 0.00 56.93 56.94 1d3b s PHE 31 Cb -0.13 -4.39 -0.25 0.00 -0.34 0.00 0.00 43.02 37.91 1d3b s PHE 31 CO 0.17 -1.97 0.10 1.63 -1.46 0.00 0.00 175.22 173.69 1d3b n LYS 32 N 8.65 0.69 -3.61 10.12 4.76 -0.58 0.61 118.16 138.79 1d3b n LYS 32 Ca 0.12 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.50 1d3b n LYS 32 Cb 0.49 -1.53 -0.02 0.00 -1.84 0.00 0.00 35.03 32.13 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 -2.51 -1.73 0.16 7.82 0.00 -1.19 -4.82 121.76 119.49 1d3b s ALA 33 Ca -0.10 0.59 -0.19 0.00 0.00 0.00 0.00 51.96 52.26 1d3b s ALA 33 Cb 0.06 0.54 0.05 0.00 0.00 0.00 0.00 23.12 23.77 1d3b s ALA 33 CO 0.83 -0.85 0.51 -0.59 0.00 0.00 0.00 175.76 175.67 1d3b s PHE 34 N -3.24 -0.32 0.38 0.00 -0.12 -1.26 -1.04 117.98 112.39 1d3b s PHE 34 Ca 0.08 0.04 0.01 0.00 -0.05 0.00 0.00 56.93 57.00 1d3b s PHE 34 Cb -0.01 0.42 -0.00 0.00 -0.63 0.00 0.00 43.02 42.79 1d3b s PHE 34 CO -0.04 -0.82 0.03 -0.40 -0.05 0.00 0.00 175.22 173.94 1d3b n ASP 35 N -0.32 2.58 0.24 1.98 5.68 -0.83 -4.97 116.55 120.91 1d3b n ASP 35 Ca -0.15 -2.73 0.16 0.00 -0.50 0.00 0.00 54.79 51.57 1d3b n ASP 35 Cb 0.64 0.42 0.73 0.00 -1.14 0.00 0.00 41.12 41.77 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 -0.04 0.11 2.10 -2.03 -1.27 116.57 115.44 1d3b h LYS 36 Ca -0.31 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 1d3b h LYS 36 Cb 0.99 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.32 1d3b h LYS 36 CO 0.51 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 178.68 1d3b n HIS 37 N -2.80 0.04 -1.21 0.07 8.25 -1.26 -4.90 115.22 113.43 1d3b n HIS 37 Ca 0.00 -0.02 -0.07 0.00 -0.26 0.00 0.00 57.72 57.37 1d3b n HIS 37 Cb 0.22 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.30 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 -0.19 -0.58 -2.37 -0.41 2.81 -0.48 -4.07 117.12 111.83 1d3b n MET 38 Ca 0.19 0.71 -0.40 0.00 -1.81 0.00 0.00 57.70 56.39 1d3b n MET 38 Cb 0.26 -4.52 -0.04 0.00 -0.71 0.00 0.00 33.22 28.21 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 -2.81 7.08 0.21 7.83 0.01 -1.26 -3.13 114.94 122.87 1d3b s ASN 39 Ca 0.00 2.38 0.09 0.00 -0.71 0.00 0.00 52.86 54.62 1d3b s ASN 39 Cb 0.00 -2.63 -0.05 0.00 0.41 0.00 0.00 41.25 38.98 1d3b s ASN 39 CO 0.00 -0.28 -0.18 -0.76 -1.51 0.00 0.00 177.10 174.37 1d3b s LEU 40 N -1.63 2.51 -0.18 0.60 1.43 0.41 -1.97 118.68 119.85 1d3b s LEU 40 Ca 0.47 -0.95 -0.01 0.00 -1.03 0.00 0.00 54.13 52.61 1d3b s LEU 40 Cb -0.34 -0.86 0.00 0.00 0.03 0.00 0.00 46.19 45.03 1d3b s LEU 40 CO 0.44 -0.05 -0.13 -0.63 0.23 0.00 0.00 176.35 176.20 1d3b s ILE 41 N -2.44 2.71 -0.14 -0.59 -1.09 -0.20 -0.49 121.20 118.96 1d3b s ILE 41 Ca 0.21 -0.73 0.01 0.00 -2.23 0.00 0.00 60.65 57.92 1d3b s ILE 41 Cb -0.04 -2.18 0.02 0.00 -1.58 0.00 0.00 42.46 38.68 1d3b s ILE 41 CO 0.09 0.49 -0.18 -0.76 -1.23 0.00 0.00 174.94 173.35 1d3b s LEU 42 N 1.15 1.93 0.18 2.97 1.43 -0.01 -1.53 118.68 124.79 1d3b s LEU 42 Ca 0.01 -0.55 0.04 0.00 -1.03 0.00 0.00 54.13 52.60 1d3b s LEU 42 Cb -0.14 -1.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 1d3b s LEU 42 CO -0.05 0.02 0.23 0.00 0.23 0.00 0.00 176.35 176.78 1d3b n ASP 44 N -0.66 -1.14 -4.78 0.00 10.43 -0.95 -1.12 116.55 118.35 1d3b n ASP 44 Ca -0.08 -0.94 -0.38 0.00 2.57 0.00 0.00 54.79 55.96 1d3b n ASP 44 Cb 0.55 -3.38 -0.06 0.00 1.84 0.00 0.00 41.12 40.07 1d3b n ASP 44 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1d3b s ASP 46 N -0.31 3.64 -0.09 0.00 1.01 0.41 -0.36 116.67 120.97 1d3b s ASP 46 Ca 0.27 -0.54 0.00 0.00 0.71 0.00 0.00 52.55 52.99 1d3b s ASP 46 Cb -0.17 -0.47 -0.03 0.00 1.01 0.00 0.00 42.92 43.26 1d3b s ASP 46 CO 0.14 0.22 -0.08 -0.70 0.21 0.00 0.00 175.17 174.96 1d3b s GLU 47 N -1.70 2.99 -0.07 8.23 2.12 0.23 -0.40 118.70 130.09 1d3b s GLU 47 Ca 0.15 -0.59 0.03 0.00 0.36 0.00 0.00 54.97 54.93 1d3b s GLU 47 Cb -0.10 -2.63 0.01 0.00 0.26 0.00 0.00 34.13 31.66 1d3b s GLU 47 CO 0.06 0.51 -0.17 -0.06 -0.54 0.00 0.00 175.26 175.06 1d3b s PHE 48 N -0.39 1.88 -0.09 5.30 0.40 0.37 -1.18 117.98 124.28 1d3b s PHE 48 Ca 0.05 -0.70 0.03 0.00 -0.60 0.00 0.00 56.93 55.71 1d3b s PHE 48 Cb -0.12 -1.30 0.01 0.00 0.51 0.00 0.00 43.02 42.11 1d3b s PHE 48 CO 0.02 -0.31 -0.19 1.03 0.70 0.00 0.00 175.22 176.48 1d3b s ARG 49 N 0.44 2.49 -0.24 0.44 0.52 0.22 -1.04 118.95 121.78 1d3b s ARG 49 Ca -0.14 -0.68 -0.06 0.00 -0.52 0.00 0.00 55.73 54.32 1d3b s ARG 49 Cb -0.16 -1.94 -0.02 0.00 0.52 0.00 0.00 34.95 33.35 1d3b s ARG 49 CO 0.05 0.10 0.04 0.15 0.02 0.00 0.00 175.30 175.66 1d3b s LYS 50 N 0.52 3.60 -0.14 3.54 1.02 -1.26 -0.52 119.74 126.50 1d3b s LYS 50 Ca -0.16 -0.51 0.01 0.00 0.02 0.00 0.00 55.97 55.33 1d3b s LYS 50 Cb -0.17 -3.23 -0.00 0.00 -0.52 0.00 0.00 37.83 33.91 1d3b s LYS 50 CO 0.06 -0.15 -0.16 0.42 -0.92 0.00 0.00 175.35 174.59 1d3b s ILE 51 N 1.48 2.62 -0.42 2.17 1.01 0.71 -4.99 121.20 123.77 1d3b s ILE 51 Ca 0.06 -0.80 -0.10 0.00 0.00 0.00 0.00 60.65 59.81 1d3b s ILE 51 Cb -0.15 -2.09 0.07 0.00 0.01 0.00 0.00 42.46 40.31 1d3b s ILE 51 CO 0.02 0.52 0.26 -0.75 0.00 0.00 0.00 174.94 175.00 1d3b s LYS 52 N 0.67 2.65 0.47 2.79 2.20 -1.26 -0.38 119.74 126.88 1d3b s LYS 52 Ca -0.08 -1.42 -0.24 0.00 -0.36 0.00 0.00 55.97 53.86 1d3b s LYS 52 Cb -0.16 -3.80 -0.07 0.00 -1.51 0.00 0.00 37.83 32.29 1d3b s LYS 52 CO 0.02 -0.94 1.38 -2.14 -0.36 0.00 0.00 175.35 173.32 1d3b s PRO 53 N 1.45 3.57 0.20 4.03 0.02 -1.26 -4.92 135.00 138.09 1d3b s PRO 53 Ca 0.03 2.31 -0.13 0.00 0.02 0.00 0.00 61.00 63.23 1d3b s PRO 53 Cb -0.23 -2.55 0.21 0.00 0.02 0.00 0.00 34.50 31.96 1d3b s PRO 53 CO 0.03 -0.87 1.66 0.87 -0.33 0.00 0.00 177.00 178.35 1d3b h LYS 54 N 2.12 0.06 -6.27 5.54 1.57 -1.98 -3.38 116.57 114.23 1d3b h LYS 54 Ca -0.51 -0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 57.71 1d3b h LYS 54 Cb 1.27 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.54 1d3b h LYS 54 CO 0.60 0.04 1.04 1.21 -0.57 0.00 0.00 179.45 181.77 1d3b s ASN 55 N -5.23 6.60 0.57 0.86 2.47 -1.26 -4.91 114.94 114.04 1d3b s ASN 55 Ca -0.14 1.59 0.27 0.00 0.42 0.00 0.00 52.86 55.01 1d3b s ASN 55 Cb 0.17 -2.54 1.56 0.00 -1.45 0.00 0.00 41.25 39.00 1d3b s ASN 55 CO 0.73 -1.08 2.06 0.28 -3.72 0.00 0.00 177.10 175.37 1d3b h SER 56 N 9.73 0.00 0.04 -4.21 0.02 -2.00 0.00 113.55 117.12 1d3b h SER 56 Ca -0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1d3b h SER 56 Cb 1.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1d3b h SER 56 CO 1.00 0.00 -0.06 0.29 -1.14 0.00 0.00 176.83 176.92 1d3b n LYS 57 N -3.95 1.52 -3.11 3.45 5.02 -1.26 -4.85 118.16 114.98 1d3b n LYS 57 Ca 0.03 -0.92 -0.36 0.00 -2.02 0.00 0.00 58.31 55.04 1d3b n LYS 57 Cb 0.39 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.86 1d3b n LYS 57 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1d3b s GLN 58 N -2.11 4.26 0.40 1.97 0.74 -0.02 -5.03 119.66 119.87 1d3b s GLN 58 Ca 0.34 0.87 -0.25 0.00 0.05 0.00 0.00 55.36 56.37 1d3b s GLN 58 Cb 0.21 -2.93 -0.08 0.00 1.10 0.00 0.00 33.01 31.31 1d3b s GLN 58 CO 0.38 0.42 1.19 0.00 -0.55 0.00 0.00 175.29 176.73 1d3b s ALA 59 N -1.47 3.17 0.44 1.58 0.00 -1.26 -4.75 121.76 119.45 1d3b s ALA 59 Ca 0.42 1.01 -0.24 0.00 0.00 0.00 0.00 51.96 53.14 1d3b s ALA 59 Cb -0.17 -3.40 -0.08 0.00 0.00 0.00 0.00 23.12 19.47 1d3b s ALA 59 CO 0.21 -0.58 1.23 -1.21 0.00 0.00 0.00 175.76 175.41 1d3b s GLU 60 N -2.29 3.83 0.00 0.00 2.02 -1.26 -4.53 118.70 116.46 1d3b s GLU 60 Ca 0.57 1.97 0.04 0.00 0.02 0.00 0.00 54.97 57.56 1d3b s GLU 60 Cb -0.32 -2.57 -0.01 0.00 0.10 0.00 0.00 34.13 31.33 1d3b s GLU 60 CO 0.40 -0.55 -0.12 0.50 0.02 0.00 0.00 175.26 175.51 1d3b s ARG 61 N -2.47 0.93 -0.17 1.61 3.52 0.49 -5.00 118.95 117.87 1d3b s ARG 61 Ca 0.61 -0.49 -0.00 0.00 -0.13 0.00 0.00 55.73 55.71 1d3b s ARG 61 Cb -0.33 -0.90 0.00 0.00 -1.56 0.00 0.00 34.95 32.15 1d3b s ARG 61 CO 0.42 0.24 -0.15 -2.00 -0.81 0.00 0.00 175.30 173.00 1d3b s GLU 62 N -0.47 3.18 -0.09 5.12 2.12 -1.26 -0.21 118.70 127.09 1d3b s GLU 62 Ca 0.04 -0.75 0.00 0.00 0.36 0.00 0.00 54.97 54.62 1d3b s GLU 62 Cb -0.05 -2.66 -0.03 0.00 0.26 0.00 0.00 34.13 31.65 1d3b s GLU 62 CO -0.00 -0.07 -0.08 -1.21 -0.54 0.00 0.00 175.26 173.36 1d3b s GLU 63 N 1.01 2.96 -0.05 4.30 2.02 0.32 -4.94 118.70 124.33 1d3b s GLU 63 Ca -0.02 -0.58 0.05 0.00 0.02 0.00 0.00 54.97 54.45 1d3b s GLU 63 Cb -0.15 -2.62 -0.01 0.00 0.10 0.00 0.00 34.13 31.46 1d3b s GLU 63 CO -0.03 0.52 -0.22 0.21 0.02 0.00 0.00 175.26 175.76 1d3b s LYS 64 N -0.44 2.27 -0.04 1.61 2.20 -1.26 -0.61 119.74 123.47 1d3b s LYS 64 Ca 0.06 -0.79 0.04 0.00 -0.36 0.00 0.00 55.97 54.92 1d3b s LYS 64 Cb -0.12 -1.93 -0.00 0.00 -1.51 0.00 0.00 37.83 34.26 1d3b s LYS 64 CO 0.02 0.33 -0.15 1.03 -0.36 0.00 0.00 175.35 176.21 1d3b s ARG 65 N -0.08 1.56 -0.23 4.03 0.52 -0.32 -4.99 118.95 119.44 1d3b s ARG 65 Ca -0.04 -0.54 -0.23 0.00 -0.52 0.00 0.00 55.73 54.41 1d3b s ARG 65 Cb -0.13 -1.38 -0.01 0.00 0.52 0.00 0.00 34.95 33.94 1d3b s ARG 65 CO 0.03 0.22 0.73 0.08 0.02 0.00 0.00 175.30 176.38 1d3b s VAL 66 N 0.05 4.92 -0.23 3.52 1.01 -1.26 -0.61 120.40 127.81 1d3b s VAL 66 Ca -0.03 1.37 -0.06 0.00 0.00 0.00 0.00 61.98 63.26 1d3b s VAL 66 Cb -0.11 -4.03 -0.12 0.00 0.00 0.00 0.00 36.38 32.12 1d3b s VAL 66 CO 0.02 0.01 -0.26 0.18 0.00 0.00 0.00 175.10 175.04 1d3b n LEU 67 N 5.63 2.25 0.00 3.92 4.77 0.51 -4.95 117.00 129.14 1d3b n LEU 67 Ca 0.02 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1d3b n LEU 67 Cb 0.49 -0.74 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1d3b n LEU 67 CO 0.45 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.79 1d3b n GLY 68 N 1.91 0.33 3.55 -0.72 0.00 -0.62 -4.92 105.19 104.72 1d3b n GLY 68 Ca -0.44 -1.59 -0.43 0.00 0.00 0.00 0.00 46.02 43.56 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 4.21 -0.05 0.99 2.96 -1.26 -0.38 118.68 125.15 1d3b s LEU 69 Ca 0.00 -0.01 0.03 0.00 -0.22 0.00 0.00 54.13 53.93 1d3b s LEU 69 Cb 0.00 -3.00 -0.03 0.00 0.50 0.00 0.00 46.19 43.67 1d3b s LEU 69 CO 0.00 -0.90 -0.12 -0.69 -1.32 0.00 0.00 176.35 173.32 1d3b s VAL 70 N 3.30 3.23 -0.40 1.68 1.01 0.11 -4.98 120.40 124.35 1d3b s VAL 70 Ca 0.31 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.52 1d3b s VAL 70 Cb -0.12 -2.29 0.07 0.00 0.00 0.00 0.00 36.38 34.04 1d3b s VAL 70 CO 0.22 0.58 0.23 -0.22 0.00 0.00 0.00 175.10 175.91 1d3b s LEU 71 N -0.80 5.00 -0.24 3.92 0.20 -1.26 -0.83 118.68 124.67 1d3b s LEU 71 Ca 0.12 -1.41 -0.14 0.00 0.69 0.00 0.00 54.13 53.39 1d3b s LEU 71 Cb -0.11 -1.97 -0.04 0.00 -0.43 0.00 0.00 46.19 43.64 1d3b s LEU 71 CO 0.01 -0.49 0.34 -0.22 -0.29 0.00 0.00 176.35 175.70 1d3b s LEU 72 N 1.43 4.09 0.15 -0.68 2.96 0.36 -4.92 118.68 122.07 1d3b s LEU 72 Ca 0.02 0.33 -0.31 0.00 -0.22 0.00 0.00 54.13 53.96 1d3b s LEU 72 Cb -0.22 -2.39 -0.08 0.00 0.50 0.00 0.00 46.19 44.00 1d3b s LEU 72 CO 0.03 -0.09 1.31 -0.13 -1.32 0.00 0.00 176.35 176.15 1d3b s ARG 73 N 1.59 4.38 0.45 1.98 1.81 -1.26 -0.44 118.95 127.46 1d3b s ARG 73 Ca 0.15 2.01 0.30 0.00 -1.72 0.00 0.00 55.73 56.46 1d3b s ARG 73 Cb -0.15 -3.24 1.17 0.00 -0.45 0.00 0.00 34.95 32.28 1d3b s ARG 73 CO 0.08 -0.31 1.88 0.78 -0.68 0.00 0.00 175.30 177.05 1d3b h GLY 74 N 6.11 0.00 2.00 -3.53 0.00 -1.69 -3.29 103.07 102.68 1d3b h GLY 74 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1d3b h GLY 74 CO 0.81 0.00 0.00 1.05 0.00 0.00 0.00 176.54 178.40 1d3b h GLU 75 N 0.00 0.00 0.00 4.80 4.11 -1.86 -2.20 114.58 119.43 1d3b h GLU 75 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1d3b h GLU 75 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1d3b h GLU 75 CO 0.00 0.00 -0.94 0.09 0.07 0.00 0.00 179.01 178.23 1d3b n ASN 76 N -2.82 0.78 -4.66 3.06 3.02 -1.24 -4.94 115.26 108.46 1d3b n ASN 76 Ca -0.00 -0.67 -0.43 0.00 -0.03 0.00 0.00 54.58 53.45 1d3b n ASN 76 Cb 0.20 0.86 -0.02 0.00 -0.61 0.00 0.00 39.78 40.20 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 -3.21 4.17 -0.01 3.41 2.96 -0.83 0.14 118.68 125.31 1d3b s LEU 77 Ca 0.07 1.60 0.07 0.00 -0.22 0.00 0.00 54.13 55.65 1d3b s LEU 77 Cb 0.16 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 43.21 1d3b s LEU 77 CO 0.82 -0.71 0.16 1.33 -1.32 0.00 0.00 176.35 176.64 1d3b n VAL 78 N 5.26 0.00 -3.50 1.68 0.24 0.40 -4.88 118.33 117.53 1d3b n VAL 78 Ca 0.13 -0.17 -0.17 0.00 -2.04 0.00 0.00 64.34 62.09 1d3b n VAL 78 Cb 0.45 0.39 -0.05 0.00 -1.47 0.00 0.00 33.84 33.17 1d3b n VAL 78 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1d3b s SER 79 N -2.70 -0.63 -0.02 -1.34 0.15 -0.98 -4.79 113.70 103.38 1d3b s SER 79 Ca -0.02 0.56 -0.01 0.00 0.70 0.00 0.00 55.95 57.18 1d3b s SER 79 Cb 0.04 0.55 0.02 0.00 -1.71 0.00 0.00 66.02 64.93 1d3b s SER 79 CO 0.28 -0.68 0.05 -0.04 1.20 0.00 0.00 173.24 174.05 1d3b s MET 80 N -1.73 0.00 0.05 5.44 -1.94 -1.26 -0.21 119.30 119.66 1d3b s MET 80 Ca -0.09 0.17 0.03 0.00 -1.71 0.00 0.00 55.69 54.09 1d3b s MET 80 Cb -0.00 -0.16 -0.03 0.00 2.01 0.00 0.00 34.83 36.65 1d3b s MET 80 CO 0.05 -0.12 -0.09 0.95 -0.01 0.00 0.00 175.02 175.80 1d3b s THR 81 N 0.76 0.68 0.01 2.05 -4.23 -0.05 -4.79 115.64 110.07 1d3b s THR 81 Ca -0.06 -1.15 -0.30 0.00 -1.18 0.00 0.00 61.69 59.00 1d3b s THR 81 Cb -0.09 -0.73 -0.06 0.00 1.34 0.00 0.00 72.50 72.95 1d3b s THR 81 CO -0.03 -0.35 1.52 -0.69 -0.54 0.00 0.00 174.62 174.53 1d3b s VAL 82 N -1.39 3.48 -0.13 2.29 1.01 -1.26 -0.16 120.40 124.24 1d3b s VAL 82 Ca -0.08 0.84 -0.01 0.00 0.00 0.00 0.00 61.98 62.74 1d3b s VAL 82 Cb -0.10 -3.54 -0.24 0.00 0.00 0.00 0.00 36.38 32.50 1d3b s VAL 82 CO 0.01 -0.02 0.33 1.21 0.00 0.00 0.00 175.10 176.63 1d3b n GLU 83 N 5.77 0.72 -3.60 2.72 4.07 0.13 -4.82 120.64 125.63 1d3b n GLU 83 Ca 0.15 0.24 -0.04 0.00 -0.06 0.00 0.00 57.16 57.45 1d3b n GLU 83 Cb 0.42 -1.69 -0.02 0.00 -0.06 0.00 0.00 31.44 30.10 1d3b n GLU 83 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 1d3b s GLY 84 N -5.61 -0.35 0.96 8.31 0.00 -0.56 -4.98 107.32 105.07 1d3b s GLY 84 Ca -0.20 1.06 -0.11 0.00 0.00 0.00 0.00 44.72 45.47 1d3b s GLY 84 CO 0.76 0.32 1.10 -4.14 0.00 0.00 0.00 173.10 171.14 1d3b s PRO 85 N -2.72 0.72 -0.04 2.90 0.02 -1.26 -0.52 135.00 134.11 1d3b s PRO 85 Ca 0.10 1.20 -0.38 0.00 0.02 0.00 0.00 61.00 61.94 1d3b s PRO 85 Cb 0.00 -1.72 -0.16 0.00 0.02 0.00 0.00 34.50 32.64 1d3b s PRO 85 CO -0.05 -2.72 1.52 -2.30 -0.33 0.00 0.00 177.00 173.12 1d3b n PRO 86 N -4.26 1.27 0.00 5.54 -0.02 -1.25 -3.94 135.00 132.33 1d3b n PRO 86 Ca 0.08 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1d3b n PRO 86 Cb 0.53 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 1d3b n PRO 86 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18