#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d3b n GLY 4 N 0.00 3.01 3.86 3.28 0.00 -1.26 -4.80 105.19 109.27 1d3b n GLY 4 Ca 0.00 -1.65 -0.38 0.00 0.00 0.00 0.00 46.02 43.99 1d3b n GLY 4 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d3b s VAL 5 N -1.98 5.25 0.27 1.61 1.01 -1.26 -4.92 120.40 120.39 1d3b s VAL 5 Ca 0.00 0.54 -0.06 0.00 0.00 0.00 0.00 61.98 62.47 1d3b s VAL 5 Cb 0.00 -3.57 0.36 0.00 0.00 0.00 0.00 36.38 33.18 1d3b s VAL 5 CO 0.00 0.60 1.59 -0.65 0.00 0.00 0.00 175.10 176.64 1d3b h PRO 6 N 4.82 0.03 -0.45 2.72 0.11 -1.99 0.26 132.00 137.50 1d3b h PRO 6 Ca -0.53 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 1d3b h PRO 6 Cb 1.22 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1d3b h PRO 6 CO 0.60 0.02 0.25 0.97 -0.21 0.00 0.00 178.00 179.63 1d3b h ILE 7 N 0.03 1.14 -0.30 4.15 6.09 -1.96 -0.20 117.51 126.46 1d3b h ILE 7 Ca 0.47 -0.34 -0.15 0.00 -1.37 0.00 0.00 64.86 63.47 1d3b h ILE 7 Cb 0.83 0.52 -0.01 0.00 0.47 0.00 0.00 36.82 38.63 1d3b h ILE 7 CO -0.84 0.15 -0.40 0.11 -3.07 0.00 0.00 178.15 174.10 1d3b h LYS 8 N 0.62 0.73 -0.55 2.19 1.57 -0.92 -0.04 116.57 120.19 1d3b h LYS 8 Ca 0.16 -0.38 -0.07 0.00 -1.87 0.00 0.00 60.65 58.49 1d3b h LYS 8 Cb 0.01 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1d3b h LYS 8 CO -0.03 1.00 0.05 0.28 -0.57 0.00 0.00 179.45 180.18 1d3b h VAL 9 N 0.60 1.26 -0.53 0.50 2.07 -0.32 -2.28 116.25 117.55 1d3b h VAL 9 Ca 0.05 -1.03 0.02 0.00 0.82 0.00 0.00 66.70 66.56 1d3b h VAL 9 Cb 0.95 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1d3b h VAL 9 CO 0.09 0.37 0.32 0.25 0.02 0.00 0.00 177.57 178.62 1d3b h LEU 10 N 0.81 0.53 -1.22 2.57 5.85 -0.80 -2.53 115.31 120.52 1d3b h LEU 10 Ca 0.16 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.92 1d3b h LEU 10 Cb 0.47 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 1d3b h LEU 10 CO 0.02 0.37 0.54 0.45 -0.34 0.00 0.00 178.44 179.48 1d3b h HIS 11 N 0.64 0.97 0.00 1.25 3.86 -0.68 -0.49 115.15 120.71 1d3b h HIS 11 Ca 0.21 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 1d3b h HIS 11 Cb 0.01 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.16 1d3b h HIS 11 CO -0.06 0.56 0.00 0.39 0.86 0.00 0.00 177.93 179.68 1d3b n GLU 12 N -4.45 0.04 0.00 2.45 1.02 -0.89 -1.78 120.64 117.04 1d3b n GLU 12 Ca 0.11 0.30 0.12 0.00 -0.02 0.00 0.00 57.16 57.67 1d3b n GLU 12 Cb 0.13 -1.57 0.29 0.00 -0.02 0.00 0.00 31.44 30.26 1d3b n GLU 12 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1d3b n ALA 13 N -1.55 3.36 -1.68 0.62 0.00 -0.19 -4.88 120.51 116.17 1d3b n ALA 13 Ca 0.03 -0.31 -0.45 0.00 0.00 0.00 0.00 53.44 52.71 1d3b n ALA 13 Cb 0.17 -1.17 -0.04 0.00 0.00 0.00 0.00 19.45 18.42 1d3b n ALA 13 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1d3b n GLU 14 N -1.54 2.34 -0.09 0.00 1.02 -0.73 -0.18 120.64 121.45 1d3b n GLU 14 Ca 0.06 0.84 0.00 0.00 -0.02 0.00 0.00 57.16 58.04 1d3b n GLU 14 Cb 0.34 -2.64 0.00 0.00 -0.02 0.00 0.00 31.44 29.12 1d3b n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1d3b n GLY 15 N 3.62 0.63 3.58 0.62 0.00 0.16 -5.01 105.19 108.79 1d3b n GLY 15 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 1d3b n GLY 15 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1d3b s HIS 16 N -2.31 2.51 0.07 1.61 3.76 0.75 -4.86 115.29 116.82 1d3b s HIS 16 Ca 0.00 -0.35 -0.30 0.00 -0.15 0.00 0.00 55.06 54.26 1d3b s HIS 16 Cb 0.00 -1.25 -0.05 0.00 1.11 0.00 0.00 32.58 32.38 1d3b s HIS 16 CO 0.00 0.59 1.12 0.42 -0.85 0.00 0.00 174.74 176.03 1d3b s ILE 17 N -2.46 4.21 0.12 0.60 1.01 -1.26 -1.27 121.20 122.14 1d3b s ILE 17 Ca 0.32 1.65 0.04 0.00 0.00 0.00 0.00 60.65 62.65 1d3b s ILE 17 Cb -0.03 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 1d3b s ILE 17 CO 0.18 0.16 -0.09 0.68 0.00 0.00 0.00 174.94 175.87 1d3b s VAL 18 N 0.76 0.98 -0.16 2.92 -7.23 0.10 -4.45 120.40 113.32 1d3b s VAL 18 Ca 0.55 -1.89 -0.03 0.00 -1.81 0.00 0.00 61.98 58.80 1d3b s VAL 18 Cb -0.27 -1.65 -0.02 0.00 0.56 0.00 0.00 36.38 35.00 1d3b s VAL 18 CO 0.30 -0.72 -0.06 -0.89 -0.31 0.00 0.00 175.10 173.42 1d3b s THR 19 N -3.12 3.62 -0.23 5.32 2.01 -0.88 -1.62 115.64 120.75 1d3b s THR 19 Ca 0.12 -0.45 -0.02 0.00 0.31 0.00 0.00 61.69 61.65 1d3b s THR 19 Cb 0.01 -2.59 0.02 0.00 0.01 0.00 0.00 72.50 69.96 1d3b s THR 19 CO -0.01 0.49 -0.08 0.00 -0.69 0.00 0.00 174.62 174.33 1d3b s GLU 21 N 1.35 3.76 0.65 0.00 2.12 -0.20 -0.03 118.70 126.35 1d3b s GLU 21 Ca 0.02 -0.43 -0.09 0.00 0.36 0.00 0.00 54.97 54.83 1d3b s GLU 21 Cb -0.16 -3.30 0.00 0.00 0.26 0.00 0.00 34.13 30.94 1d3b s GLU 21 CO -0.06 -0.04 1.01 0.95 -0.54 0.00 0.00 175.26 176.58 1d3b s THR 22 N 1.23 3.75 -0.26 -1.70 -4.23 -0.27 0.65 115.64 114.81 1d3b s THR 22 Ca 0.05 0.35 0.24 0.00 -1.18 0.00 0.00 61.69 61.15 1d3b s THR 22 Cb -0.14 -3.53 0.25 0.00 1.34 0.00 0.00 72.50 70.41 1d3b s THR 22 CO 0.04 -0.64 1.74 0.78 -0.54 0.00 0.00 174.62 175.99 1d3b h ASN 23 N -0.41 0.00 -0.31 3.99 2.35 -0.92 -1.91 115.58 118.37 1d3b h ASN 23 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 1d3b h ASN 23 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.61 1d3b h ASN 23 CO 0.62 0.00 0.00 0.35 -1.65 0.00 0.00 177.43 176.75 1d3b n THR 24 N -2.34 2.04 -1.07 2.81 -2.24 -1.26 -4.98 114.28 107.24 1d3b n THR 24 Ca 0.00 -1.65 -0.02 0.00 -2.27 0.00 0.00 64.05 60.11 1d3b n THR 24 Cb 0.14 -0.09 -0.01 0.00 -2.10 0.00 0.00 70.33 68.27 1d3b n THR 24 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1d3b n GLY 25 N -0.18 0.58 3.84 3.38 0.00 -0.72 -4.76 105.19 107.33 1d3b n GLY 25 Ca 0.20 -0.67 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 1d3b n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1d3b s GLU 26 N -1.75 4.07 -0.17 1.61 8.01 -1.26 -4.26 118.70 124.95 1d3b s GLU 26 Ca 0.00 0.82 0.01 0.00 0.01 0.00 0.00 54.97 55.81 1d3b s GLU 26 Cb 0.00 -2.34 0.02 0.00 -4.31 0.00 0.00 34.13 27.50 1d3b s GLU 26 CO 0.00 0.08 -0.18 0.08 0.01 0.00 0.00 175.26 175.25 1d3b s VAL 27 N -2.07 1.92 -0.22 2.63 1.01 -0.19 -1.11 120.40 122.38 1d3b s VAL 27 Ca 0.57 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 1d3b s VAL 27 Cb -0.10 -1.76 -0.00 0.00 0.00 0.00 0.00 36.38 34.51 1d3b s VAL 27 CO 0.17 0.50 -0.06 -0.31 0.00 0.00 0.00 175.10 175.39 1d3b s TYR 28 N 1.34 2.94 -0.11 5.22 1.51 0.96 -0.59 117.35 128.62 1d3b s TYR 28 Ca 0.05 -1.05 0.02 0.00 -1.01 0.00 0.00 57.07 55.08 1d3b s TYR 28 Cb -0.13 -2.08 0.01 0.00 -0.11 0.00 0.00 41.96 39.65 1d3b s TYR 28 CO -0.12 -0.59 -0.18 0.50 -1.11 0.00 0.00 175.55 174.06 1d3b s ARG 29 N 1.45 2.45 0.00 -0.62 3.52 -0.07 0.54 118.95 126.22 1d3b s ARG 29 Ca 0.05 -0.65 0.00 0.00 -0.13 0.00 0.00 55.73 55.00 1d3b s ARG 29 Cb -0.14 -2.01 0.00 0.00 -1.56 0.00 0.00 34.95 31.24 1d3b s ARG 29 CO -0.04 -0.00 0.00 0.41 -0.81 0.00 0.00 175.30 174.85 1d3b n GLY 30 N 4.02 -1.12 3.70 8.12 0.00 -0.64 -0.24 105.19 119.02 1d3b n GLY 30 Ca -0.20 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 1d3b n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1d3b s LYS 31 N -0.52 4.47 -0.29 1.61 2.20 -0.83 0.01 119.74 126.38 1d3b s LYS 31 Ca 0.00 1.29 -0.29 0.00 -0.36 0.00 0.00 55.97 56.61 1d3b s LYS 31 Cb 0.00 -3.50 0.01 0.00 -1.51 0.00 0.00 37.83 32.83 1d3b s LYS 31 CO 0.00 -0.16 1.04 -1.17 -0.36 0.00 0.00 175.35 174.71 1d3b s LEU 32 N 1.46 3.99 -0.17 5.43 2.96 -0.40 0.17 118.68 132.13 1d3b s LEU 32 Ca 0.47 1.12 -0.13 0.00 -0.22 0.00 0.00 54.13 55.37 1d3b s LEU 32 Cb -0.19 -3.51 -0.22 0.00 0.50 0.00 0.00 46.19 42.77 1d3b s LEU 32 CO 0.21 -0.80 0.26 -0.38 -1.32 0.00 0.00 176.35 174.33 1d3b n ILE 33 N 5.68 1.66 -3.65 6.68 2.08 0.30 0.36 119.36 132.47 1d3b n ILE 33 Ca 0.11 -0.37 -0.12 0.00 0.56 0.00 0.00 62.75 62.93 1d3b n ILE 33 Cb 0.47 -1.87 -0.08 0.00 -0.75 0.00 0.00 39.64 37.41 1d3b n ILE 33 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1d3b s GLU 34 N -2.47 0.74 -0.11 0.38 2.12 -1.09 -4.48 118.70 113.78 1d3b s GLU 34 Ca -0.26 0.97 -0.02 0.00 0.36 0.00 0.00 54.97 56.02 1d3b s GLU 34 Cb 0.07 0.31 -0.03 0.00 0.26 0.00 0.00 34.13 34.74 1d3b s GLU 34 CO 0.68 -0.11 -0.05 0.00 -0.54 0.00 0.00 175.26 175.25 1d3b s ALA 35 N 0.64 3.03 0.75 6.30 0.00 -1.26 -0.88 121.76 130.34 1d3b s ALA 35 Ca -0.02 -0.85 -0.05 0.00 0.00 0.00 0.00 51.96 51.04 1d3b s ALA 35 Cb -0.05 -1.41 0.12 0.00 0.00 0.00 0.00 23.12 21.78 1d3b s ALA 35 CO -0.04 0.42 1.04 -1.21 0.00 0.00 0.00 175.76 175.97 1d3b s GLU 36 N -0.30 1.66 0.53 0.00 2.02 0.07 -4.94 118.70 117.74 1d3b s GLU 36 Ca 0.05 -0.75 0.35 0.00 0.02 0.00 0.00 54.97 54.64 1d3b s GLU 36 Cb -0.13 -2.21 1.60 0.00 0.10 0.00 0.00 34.13 33.49 1d3b s GLU 36 CO 0.02 -1.53 2.03 -0.44 0.02 0.00 0.00 175.26 175.37 1d3b h ASP 37 N -0.71 0.00 -0.21 -0.19 3.32 -1.99 -1.73 116.42 114.90 1d3b h ASP 37 Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1d3b h ASP 37 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1d3b h ASP 37 CO 0.45 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.51 1d3b n ASN 38 N -2.92 2.42 -0.13 6.45 6.94 -1.26 -4.94 115.26 121.83 1d3b n ASN 38 Ca -0.00 -1.82 -0.02 0.00 -0.02 0.00 0.00 54.58 52.72 1d3b n ASN 38 Cb 0.21 -0.13 -0.01 0.00 -2.36 0.00 0.00 39.78 37.49 1d3b n ASN 38 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 1d3b n MET 39 N 0.83 -0.21 -2.12 -3.83 2.81 -0.65 -4.21 117.12 109.74 1d3b n MET 39 Ca 0.17 0.40 -0.42 0.00 -1.81 0.00 0.00 57.70 56.04 1d3b n MET 39 Cb 0.46 -3.85 -0.03 0.00 -0.71 0.00 0.00 33.22 29.09 1d3b n MET 39 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1d3b s ASN 40 N -2.62 6.77 -0.09 7.83 -0.87 -1.26 -3.34 114.94 121.37 1d3b s ASN 40 Ca 0.00 2.30 0.03 0.00 -1.57 0.00 0.00 52.86 53.61 1d3b s ASN 40 Cb 0.00 -2.57 -0.01 0.00 -0.02 0.00 0.00 41.25 38.64 1d3b s ASN 40 CO 0.00 -0.74 -0.17 0.00 -2.57 0.00 0.00 177.10 173.62 1d3b s GLN 42 N -0.01 4.13 0.13 0.00 -1.52 -0.06 -0.50 119.66 121.83 1d3b s GLN 42 Ca -0.05 -0.12 0.06 0.00 -1.95 0.00 0.00 55.36 53.29 1d3b s GLN 42 Cb -0.14 -3.51 -0.04 0.00 -0.22 0.00 0.00 33.01 29.09 1d3b s GLN 42 CO 0.04 0.08 -0.13 -1.64 -0.25 0.00 0.00 175.29 173.40 1d3b s MET 43 N 0.97 1.03 0.09 2.91 -1.94 -0.19 -0.54 119.30 121.63 1d3b s MET 43 Ca 0.11 -1.29 0.02 0.00 -1.71 0.00 0.00 55.69 52.82 1d3b s MET 43 Cb -0.13 -0.83 -0.04 0.00 2.01 0.00 0.00 34.83 35.83 1d3b s MET 43 CO 0.04 0.15 -0.07 -1.54 -0.01 0.00 0.00 175.02 173.59 1d3b s SER 44 N -2.63 1.12 -1.12 3.03 1.04 0.13 -1.47 113.70 113.80 1d3b s SER 44 Ca 0.11 -0.93 -0.16 0.00 0.48 0.00 0.00 55.95 55.45 1d3b s SER 44 Cb -0.03 0.08 -0.03 0.00 0.10 0.00 0.00 66.02 66.14 1d3b s SER 44 CO 0.03 -0.41 0.83 0.59 0.98 0.00 0.00 173.24 175.25 1d3b n ASN 45 N 0.21 -5.60 -4.93 7.02 5.03 0.24 -1.97 115.26 115.26 1d3b n ASN 45 Ca -0.14 -0.92 -0.21 0.00 0.87 0.00 0.00 54.58 54.19 1d3b n ASN 45 Cb 0.60 -3.97 -0.02 0.00 -1.02 0.00 0.00 39.78 35.36 1d3b n ASN 45 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 1d3b s ILE 46 N -3.45 4.86 -0.17 2.41 -5.25 0.21 -4.40 121.20 115.41 1d3b s ILE 46 Ca 0.46 -1.11 -0.02 0.00 -0.99 0.00 0.00 60.65 58.98 1d3b s ILE 46 Cb -0.13 -3.67 -0.01 0.00 2.95 0.00 0.00 42.46 41.59 1d3b s ILE 46 CO 0.82 -0.31 -0.08 -0.89 -1.79 0.00 0.00 174.94 172.69 1d3b s THR 47 N -2.05 3.32 -0.06 8.37 2.01 0.67 -1.58 115.64 126.30 1d3b s THR 47 Ca 0.35 -0.54 0.05 0.00 0.31 0.00 0.00 61.69 61.86 1d3b s THR 47 Cb -0.09 -2.45 -0.02 0.00 0.01 0.00 0.00 72.50 69.95 1d3b s THR 47 CO 0.28 0.48 -0.21 0.54 -0.69 0.00 0.00 174.62 175.02 1d3b s VAL 48 N 0.84 2.44 -0.28 3.82 0.11 0.76 -0.89 120.40 127.20 1d3b s VAL 48 Ca -0.02 -0.93 -0.03 0.00 -2.93 0.00 0.00 61.98 58.07 1d3b s VAL 48 Cb -0.15 -1.92 0.03 0.00 -1.53 0.00 0.00 36.38 32.81 1d3b s VAL 48 CO 0.01 0.57 -0.01 -0.89 -3.33 0.00 0.00 175.10 171.45 1d3b s THR 49 N -0.24 3.20 0.86 5.04 2.01 0.24 -0.67 115.64 126.07 1d3b s THR 49 Ca -0.01 -1.04 -0.12 0.00 0.31 0.00 0.00 61.69 60.84 1d3b s THR 49 Cb -0.13 -2.69 0.11 0.00 0.01 0.00 0.00 72.50 69.80 1d3b s THR 49 CO 0.03 0.08 1.14 -0.31 -0.69 0.00 0.00 174.62 174.88 1d3b s TYR 50 N 1.35 2.72 0.28 4.92 1.51 0.69 -1.02 117.35 127.81 1d3b s TYR 50 Ca -0.01 0.86 0.02 0.00 -1.01 0.00 0.00 57.07 56.94 1d3b s TYR 50 Cb -0.18 -3.38 0.65 0.00 -0.11 0.00 0.00 41.96 38.95 1d3b s TYR 50 CO -0.02 -2.07 1.74 -0.09 -1.11 0.00 0.00 175.55 174.01 1d3b h ARG 51 N -1.28 0.57 -0.09 -0.62 2.43 -1.86 0.88 114.38 114.41 1d3b h ARG 51 Ca -0.49 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 1d3b h ARG 51 Cb 1.32 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1d3b h ARG 51 CO 0.63 0.38 0.00 -0.40 -1.51 0.00 0.00 179.97 179.07 1d3b n ASP 52 N -4.90 0.63 0.00 -3.80 5.68 -1.26 -4.89 116.55 108.01 1d3b n ASP 52 Ca 0.20 -1.78 0.00 0.00 -0.50 0.00 0.00 54.79 52.71 1d3b n ASP 52 Cb 0.54 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 1d3b n ASP 52 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1d3b n GLY 53 N 0.79 0.95 3.76 6.12 0.00 0.31 -5.03 105.19 112.09 1d3b n GLY 53 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1d3b n GLY 53 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1d3b s ARG 54 N -0.29 4.36 -0.11 1.61 3.52 -1.26 -4.67 118.95 122.11 1d3b s ARG 54 Ca 0.00 2.19 -0.01 0.00 -0.13 0.00 0.00 55.73 57.78 1d3b s ARG 54 Cb 0.00 -3.09 -0.03 0.00 -1.56 0.00 0.00 34.95 30.27 1d3b s ARG 54 CO 0.00 -0.20 -0.05 0.08 -0.81 0.00 0.00 175.30 174.32 1d3b s VAL 55 N -0.89 3.80 0.21 7.11 1.01 -1.26 -0.22 120.40 130.17 1d3b s VAL 55 Ca 0.51 -0.42 -0.00 0.00 0.00 0.00 0.00 61.98 62.07 1d3b s VAL 55 Cb -0.39 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 1d3b s VAL 55 CO 0.50 0.55 0.15 0.00 0.00 0.00 0.00 175.10 176.30 1d3b s ALA 56 N -0.25 1.23 -0.02 5.51 0.00 0.15 -4.97 121.76 123.41 1d3b s ALA 56 Ca 0.04 -1.73 0.07 0.00 0.00 0.00 0.00 51.96 50.34 1d3b s ALA 56 Cb -0.13 1.40 -0.02 0.00 0.00 0.00 0.00 23.12 24.37 1d3b s ALA 56 CO 0.02 -0.60 -0.23 -0.65 0.00 0.00 0.00 175.76 174.31 1d3b s GLN 57 N -4.08 1.90 -0.00 0.00 -0.21 -1.26 -0.17 119.66 115.84 1d3b s GLN 57 Ca 0.39 -0.81 0.04 0.00 0.02 0.00 0.00 55.36 54.99 1d3b s GLN 57 Cb 0.06 -1.80 -0.01 0.00 1.00 0.00 0.00 33.01 32.26 1d3b s GLN 57 CO 0.14 0.47 -0.11 -0.51 -2.12 0.00 0.00 175.29 173.15 1d3b s LEU 58 N -0.48 2.04 0.16 2.90 1.43 -0.62 -4.98 118.68 119.13 1d3b s LEU 58 Ca 0.07 -0.23 -0.10 0.00 -1.03 0.00 0.00 54.13 52.84 1d3b s LEU 58 Cb -0.09 -0.57 -0.01 0.00 0.03 0.00 0.00 46.19 45.55 1d3b s LEU 58 CO -0.00 0.12 1.53 -0.33 0.23 0.00 0.00 176.35 177.89 1d3b h GLU 59 N 5.75 0.98 -3.18 1.70 5.08 -1.95 0.63 114.58 123.59 1d3b h GLU 59 Ca -0.33 -0.45 -0.16 0.00 -1.00 0.00 0.00 59.36 57.42 1d3b h GLU 59 Cb 1.17 -0.02 -0.24 0.00 0.50 0.00 0.00 28.75 30.16 1d3b h GLU 59 CO 0.49 1.12 -0.43 -1.14 -1.00 0.00 0.00 179.01 178.05 1d3b s GLN 60 N -4.58 0.34 0.02 2.33 2.00 -1.26 0.82 119.66 119.33 1d3b s GLN 60 Ca -0.11 0.20 -0.02 0.00 -2.00 0.00 0.00 55.36 53.43 1d3b s GLN 60 Cb 0.12 0.16 -0.02 0.00 0.80 0.00 0.00 33.01 34.07 1d3b s GLN 60 CO 0.88 -0.06 0.01 0.14 -0.50 0.00 0.00 175.29 175.76 1d3b s VAL 61 N -0.19 0.11 -0.28 1.34 -7.23 -0.54 -4.99 120.40 108.61 1d3b s VAL 61 Ca -0.03 -0.90 -0.00 0.00 -1.81 0.00 0.00 61.98 59.24 1d3b s VAL 61 Cb -0.03 -0.37 0.05 0.00 0.56 0.00 0.00 36.38 36.59 1d3b s VAL 61 CO 0.01 -0.50 -0.05 -0.47 -0.31 0.00 0.00 175.10 173.78 1d3b s TYR 62 N -1.58 3.24 -0.23 2.82 5.04 -1.26 -1.02 117.35 124.36 1d3b s TYR 62 Ca -0.14 -2.00 -0.07 0.00 -2.44 0.00 0.00 57.07 52.42 1d3b s TYR 62 Cb -0.08 -2.04 -0.03 0.00 0.35 0.00 0.00 41.96 40.16 1d3b s TYR 62 CO -0.01 -0.82 0.05 0.42 -1.34 0.00 0.00 175.55 173.85 1d3b s ILE 63 N 1.21 4.26 0.30 3.14 -1.09 0.35 -4.94 121.20 124.42 1d3b s ILE 63 Ca -0.06 -0.20 -0.27 0.00 -2.23 0.00 0.00 60.65 57.89 1d3b s ILE 63 Cb -0.19 -2.96 -0.09 0.00 -1.58 0.00 0.00 42.46 37.63 1d3b s ILE 63 CO -0.03 0.38 0.97 -0.13 -1.23 0.00 0.00 174.94 174.90 1d3b s ARG 64 N 1.31 4.64 0.30 2.79 0.52 -1.26 0.00 118.95 127.25 1d3b s ARG 64 Ca 0.05 1.45 0.05 0.00 -0.52 0.00 0.00 55.73 56.75 1d3b s ARG 64 Cb -0.15 -2.97 0.68 0.00 0.52 0.00 0.00 34.95 33.04 1d3b s ARG 64 CO 0.03 0.31 1.80 0.78 0.02 0.00 0.00 175.30 178.24 1d3b h GLY 65 N 3.49 1.69 1.41 -3.53 0.00 -1.72 0.21 103.07 104.63 1d3b h GLY 65 Ca -0.46 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.49 1d3b h GLY 65 CO 0.66 0.03 0.00 0.00 0.00 0.00 0.00 176.54 177.23 1d3b n LYS 67 N -1.21 1.63 -3.47 0.00 4.76 0.74 -4.96 118.16 115.66 1d3b n LYS 67 Ca 0.09 -0.91 -0.37 0.00 -2.87 0.00 0.00 58.31 54.25 1d3b n LYS 67 Cb 0.11 -1.24 -0.06 0.00 -1.84 0.00 0.00 35.03 31.99 1d3b n LYS 67 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1d3b s ILE 68 N -1.65 5.20 -0.12 -0.18 1.01 -0.89 -0.29 121.20 124.29 1d3b s ILE 68 Ca 0.13 0.75 -0.19 0.00 0.00 0.00 0.00 60.65 61.35 1d3b s ILE 68 Cb 0.12 -3.71 -0.26 0.00 0.01 0.00 0.00 42.46 38.62 1d3b s ILE 68 CO 0.33 0.43 0.57 -0.09 0.00 0.00 0.00 174.94 176.18 1d3b h ARG 69 N 6.09 0.19 -2.45 2.79 2.43 0.01 -3.43 114.38 120.02 1d3b h ARG 69 Ca -0.44 -0.33 0.11 0.00 -0.81 0.00 0.00 59.98 58.50 1d3b h ARG 69 Cb 1.19 0.12 -0.12 0.00 -0.42 0.00 0.00 29.97 30.74 1d3b h ARG 69 CO 0.71 1.16 0.43 -0.59 -1.51 0.00 0.00 179.97 180.17 1d3b s PHE 70 N -2.43 -0.31 0.05 2.20 -0.12 -0.95 -5.02 117.98 111.40 1d3b s PHE 70 Ca -0.20 0.10 0.08 0.00 -0.05 0.00 0.00 56.93 56.86 1d3b s PHE 70 Cb 0.03 0.58 -0.03 0.00 -0.63 0.00 0.00 43.02 42.97 1d3b s PHE 70 CO 0.74 -0.71 -0.24 -0.51 -0.05 0.00 0.00 175.22 174.46 1d3b s LEU 71 N -2.67 2.17 -0.33 -1.99 1.02 -1.26 -1.03 118.68 114.60 1d3b s LEU 71 Ca 0.07 -0.56 -0.10 0.00 0.02 0.00 0.00 54.13 53.55 1d3b s LEU 71 Cb -0.01 -1.13 -0.00 0.00 0.02 0.00 0.00 46.19 45.06 1d3b s LEU 71 CO -0.06 0.21 0.18 -0.63 0.02 0.00 0.00 176.35 176.07 1d3b s ILE 72 N -0.81 4.72 0.20 -0.59 1.01 0.16 -4.96 121.20 120.93 1d3b s ILE 72 Ca 0.10 -0.45 0.05 0.00 0.00 0.00 0.00 60.65 60.34 1d3b s ILE 72 Cb -0.09 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 38.90 1d3b s ILE 72 CO 0.02 0.01 0.23 -0.76 0.00 0.00 0.00 174.94 174.43 1d3b s LEU 73 N 1.62 4.02 0.37 2.97 1.43 -1.26 -2.07 118.68 125.76 1d3b s LEU 73 Ca 0.04 -0.05 -0.28 0.00 -1.03 0.00 0.00 54.13 52.81 1d3b s LEU 73 Cb -0.17 -2.59 -0.11 0.00 0.03 0.00 0.00 46.19 43.34 1d3b s LEU 73 CO 0.07 0.01 1.39 -0.81 0.23 0.00 0.00 176.35 177.25 1d3b n PRO 74 N -0.79 2.40 0.00 1.29 -0.04 -1.26 -5.05 135.00 131.55 1d3b n PRO 74 Ca -0.08 0.84 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 1d3b n PRO 74 Cb 0.56 -2.52 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 1d3b n PRO 74 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21