#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d3b h PRO 6 N 0.00 0.09 -0.68 5.55 0.11 -2.05 -1.42 132.00 133.60 1d3b h PRO 6 Ca 0.00 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 1d3b h PRO 6 Cb 0.00 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.06 1d3b h PRO 6 CO 0.00 0.06 0.40 0.97 -0.21 0.00 0.00 178.00 179.21 1d3b h ILE 7 N 0.09 1.20 -0.35 4.15 6.09 -1.99 -0.85 117.51 125.85 1d3b h ILE 7 Ca 0.32 -0.46 -0.11 0.00 -1.37 0.00 0.00 64.86 63.24 1d3b h ILE 7 Cb 0.51 0.25 -0.01 0.00 0.47 0.00 0.00 36.82 38.04 1d3b h ILE 7 CO -0.55 0.21 -0.22 0.50 -3.07 0.00 0.00 178.15 175.02 1d3b h LYS 8 N 0.95 0.68 -0.44 2.19 3.64 -1.72 0.89 116.57 122.75 1d3b h LYS 8 Ca 0.24 -0.26 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 1d3b h LYS 8 Cb -0.01 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1d3b h LYS 8 CO -0.04 0.85 -0.05 0.28 -2.27 0.00 0.00 179.45 178.22 1d3b h VAL 9 N 0.60 1.24 -0.12 2.00 2.07 -0.59 -1.17 116.25 120.27 1d3b h VAL 9 Ca 0.09 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.54 1d3b h VAL 9 Cb 0.70 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1d3b h VAL 9 CO 0.05 0.36 0.01 0.25 0.02 0.00 0.00 177.57 178.27 1d3b h LEU 10 N 0.70 0.21 -1.03 2.57 5.85 -0.50 -2.71 115.31 120.39 1d3b h LEU 10 Ca 0.13 -0.29 0.14 0.00 0.84 0.00 0.00 57.88 58.70 1d3b h LEU 10 Cb 0.49 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.38 1d3b h LEU 10 CO 0.03 0.44 0.62 0.45 -0.34 0.00 0.00 178.44 179.64 1d3b h HIS 11 N -0.04 1.10 0.00 1.25 3.86 -0.58 0.21 115.15 120.96 1d3b h HIS 11 Ca 0.04 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1d3b h HIS 11 Cb 0.33 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.46 1d3b h HIS 11 CO 0.03 0.38 0.00 0.93 0.86 0.00 0.00 177.93 180.12 1d3b h GLU 12 N 0.90 0.00 0.00 2.45 5.08 -0.90 -1.83 114.58 120.28 1d3b h GLU 12 Ca 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 1d3b h GLU 12 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1d3b h GLU 12 CO -0.30 0.00 -0.25 0.00 -1.00 0.00 0.00 179.01 177.46 1d3b n ALA 13 N -2.04 2.70 -1.66 3.43 0.00 0.74 -4.88 120.51 118.79 1d3b n ALA 13 Ca -0.02 -0.16 -0.46 0.00 0.00 0.00 0.00 53.44 52.80 1d3b n ALA 13 Cb 0.14 -1.33 -0.04 0.00 0.00 0.00 0.00 19.45 18.22 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 -1.88 2.03 -0.20 0.00 1.02 -0.69 -0.81 120.64 120.12 1d3b n GLU 14 Ca 0.05 0.73 0.00 0.00 -0.02 0.00 0.00 57.16 57.92 1d3b n GLU 14 Cb 0.39 -2.44 0.00 0.00 -0.02 0.00 0.00 31.44 29.37 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 2.84 0.71 3.64 0.62 0.00 0.17 -5.01 105.19 108.16 1d3b n GLY 15 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.48 2.58 -0.07 1.61 3.76 0.01 -4.85 115.29 115.85 1d3b s HIS 16 Ca 0.00 -0.40 -0.30 0.00 -0.15 0.00 0.00 55.06 54.21 1d3b s HIS 16 Cb 0.00 -1.46 -0.02 0.00 1.11 0.00 0.00 32.58 32.21 1d3b s HIS 16 CO 0.00 0.48 1.07 0.42 -0.85 0.00 0.00 174.74 175.87 1d3b s ILE 17 N -2.48 4.59 0.19 0.60 -1.09 -1.26 -0.92 121.20 120.83 1d3b s ILE 17 Ca 0.35 1.87 0.07 0.00 -2.23 0.00 0.00 60.65 60.71 1d3b s ILE 17 Cb -0.01 -4.20 -0.05 0.00 -1.58 0.00 0.00 42.46 36.62 1d3b s ILE 17 CO 0.20 0.02 -0.14 0.68 -1.23 0.00 0.00 174.94 174.47 1d3b s VAL 18 N 1.92 1.65 -0.12 2.92 -7.23 0.99 -4.38 120.40 116.15 1d3b s VAL 18 Ca 0.52 -2.18 0.01 0.00 -1.81 0.00 0.00 61.98 58.51 1d3b s VAL 18 Cb -0.21 -2.00 -0.01 0.00 0.56 0.00 0.00 36.38 34.71 1d3b s VAL 18 CO 0.21 -0.61 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.35 1d3b s THR 19 N -3.00 2.91 -0.19 5.32 2.01 -0.84 -1.39 115.64 120.47 1d3b s THR 19 Ca 0.21 -0.72 0.01 0.00 0.31 0.00 0.00 61.69 61.51 1d3b s THR 19 Cb -0.00 -2.21 0.03 0.00 0.01 0.00 0.00 72.50 70.33 1d3b s THR 19 CO 0.06 0.53 -0.16 0.00 -0.69 0.00 0.00 174.62 174.36 1d3b s GLU 21 N 1.29 3.75 0.74 0.00 2.12 -0.04 -0.13 118.70 126.41 1d3b s GLU 21 Ca 0.02 -0.44 -0.09 0.00 0.36 0.00 0.00 54.97 54.82 1d3b s GLU 21 Cb -0.15 -3.33 0.06 0.00 0.26 0.00 0.00 34.13 30.98 1d3b s GLU 21 CO -0.11 -0.09 1.07 0.95 -0.54 0.00 0.00 175.26 176.55 1d3b s THR 22 N 1.37 2.32 -0.22 -1.70 -4.23 -0.25 0.07 115.64 113.00 1d3b s THR 22 Ca 0.05 -0.11 0.27 0.00 -1.18 0.00 0.00 61.69 60.73 1d3b s THR 22 Cb -0.15 -3.06 0.29 0.00 1.34 0.00 0.00 72.50 70.93 1d3b s THR 22 CO 0.04 -0.07 1.82 0.78 -0.54 0.00 0.00 174.62 176.65 1d3b h ASN 23 N -0.75 0.00 -0.47 3.99 2.35 -1.24 -2.54 115.58 116.93 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 1.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.68 1d3b h ASN 23 CO 0.63 0.00 0.00 0.35 -1.65 0.00 0.00 177.43 176.76 1d3b n THR 24 N -2.51 2.23 -0.59 2.81 -2.24 -1.26 -4.98 114.28 107.74 1d3b n THR 24 Ca 0.01 -1.49 0.00 0.00 -2.27 0.00 0.00 64.05 60.30 1d3b n THR 24 Cb 0.21 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 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 0.35 0.78 3.84 3.38 0.00 -0.96 -4.78 105.19 107.80 1d3b n GLY 25 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.41 4.03 -0.17 1.61 8.01 -1.26 -4.27 118.70 126.23 1d3b s GLU 26 Ca 0.00 0.83 0.01 0.00 0.01 0.00 0.00 54.97 55.82 1d3b s GLU 26 Cb 0.00 -2.29 0.02 0.00 -4.31 0.00 0.00 34.13 27.55 1d3b s GLU 26 CO 0.00 -0.01 -0.20 0.08 0.01 0.00 0.00 175.26 175.14 1d3b s VAL 27 N -2.22 2.02 -0.21 2.63 1.01 -0.12 -1.09 120.40 122.43 1d3b s VAL 27 Ca 0.57 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 1d3b s VAL 27 Cb -0.10 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.46 1d3b s VAL 27 CO 0.21 0.53 -0.09 -0.31 0.00 0.00 0.00 175.10 175.44 1d3b s TYR 28 N 1.26 2.91 -0.10 5.22 1.51 0.81 -1.09 117.35 127.87 1d3b s TYR 28 Ca 0.04 -1.21 0.03 0.00 -1.01 0.00 0.00 57.07 54.92 1d3b s TYR 28 Cb -0.13 -2.04 0.00 0.00 -0.11 0.00 0.00 41.96 39.68 1d3b s TYR 28 CO -0.12 -0.64 -0.21 0.50 -1.11 0.00 0.00 175.55 173.96 1d3b s ARG 29 N 1.41 2.78 0.00 -0.62 3.52 -0.17 0.05 118.95 125.92 1d3b s ARG 29 Ca 0.05 -0.78 0.00 0.00 -0.13 0.00 0.00 55.73 54.87 1d3b s ARG 29 Cb -0.14 -2.14 0.00 0.00 -1.56 0.00 0.00 34.95 31.11 1d3b s ARG 29 CO -0.07 0.13 0.00 0.41 -0.81 0.00 0.00 175.30 174.96 1d3b n GLY 30 N 3.64 -1.30 3.69 8.12 0.00 -0.48 -0.89 105.19 117.97 1d3b n GLY 30 Ca -0.20 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.65 4.41 -0.40 1.61 2.20 -0.96 -0.01 119.74 125.94 1d3b s LYS 31 Ca 0.00 1.49 -0.28 0.00 -0.36 0.00 0.00 55.97 56.82 1d3b s LYS 31 Cb 0.00 -3.53 0.02 0.00 -1.51 0.00 0.00 37.83 32.81 1d3b s LYS 31 CO 0.00 -0.33 1.08 -1.17 -0.36 0.00 0.00 175.35 174.57 1d3b s LEU 32 N 1.95 3.80 -0.13 5.43 2.96 -0.10 -0.91 118.68 131.68 1d3b s LEU 32 Ca 0.51 0.68 -0.24 0.00 -0.22 0.00 0.00 54.13 54.87 1d3b s LEU 32 Cb -0.21 -3.50 -0.26 0.00 0.50 0.00 0.00 46.19 42.73 1d3b s LEU 32 CO 0.20 -1.06 0.64 0.40 -1.32 0.00 0.00 176.35 175.21 1d3b h ILE 33 N 5.99 1.42 -2.27 6.68 1.08 -1.06 0.47 117.51 129.83 1d3b h ILE 33 Ca -0.22 -2.36 -0.07 0.00 -0.39 0.00 0.00 64.86 61.82 1d3b h ILE 33 Cb 1.06 2.99 -0.21 0.00 -3.07 0.00 0.00 36.82 37.59 1d3b h ILE 33 CO 1.07 0.58 0.02 -0.70 -0.69 0.00 0.00 178.15 178.43 1d3b s GLU 34 N -2.33 0.77 -0.13 2.37 2.12 -1.12 -4.53 118.70 115.85 1d3b s GLU 34 Ca -0.20 0.66 0.01 0.00 0.36 0.00 0.00 54.97 55.80 1d3b s GLU 34 Cb 0.01 0.37 -0.01 0.00 0.26 0.00 0.00 34.13 34.76 1d3b s GLU 34 CO 0.71 -0.14 -0.17 0.00 -0.54 0.00 0.00 175.26 175.12 1d3b s ALA 35 N -0.09 2.45 0.83 6.30 0.00 -1.26 -0.53 121.76 129.46 1d3b s ALA 35 Ca -0.03 -0.96 -0.11 0.00 0.00 0.00 0.00 51.96 50.87 1d3b s ALA 35 Cb -0.04 -1.10 0.13 0.00 0.00 0.00 0.00 23.12 22.12 1d3b s ALA 35 CO 0.03 0.18 1.17 -1.21 0.00 0.00 0.00 175.76 175.93 1d3b s GLU 36 N 0.48 1.47 0.57 0.00 2.02 0.11 -4.92 118.70 118.43 1d3b s GLU 36 Ca -0.12 -0.35 0.31 0.00 0.02 0.00 0.00 54.97 54.83 1d3b s GLU 36 Cb -0.16 -2.02 1.74 0.00 0.10 0.00 0.00 34.13 33.79 1d3b s GLU 36 CO 0.05 -1.80 2.19 -0.44 0.02 0.00 0.00 175.26 175.28 1d3b h ASP 37 N -1.10 0.00 -0.21 -0.19 5.19 -2.00 -0.71 116.42 117.40 1d3b h ASP 37 Ca -0.44 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 1d3b h ASP 37 Cb 1.28 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.79 1d3b h ASP 37 CO 0.50 0.05 0.00 -0.46 -3.12 0.00 0.00 179.24 176.21 1d3b n ASN 38 N -3.66 1.81 -0.09 6.45 0.23 -1.26 -4.90 115.26 113.83 1d3b n ASN 38 Ca -0.02 -1.77 -0.01 0.00 -0.53 0.00 0.00 54.58 52.24 1d3b n ASN 38 Cb 0.15 -0.14 -0.01 0.00 -2.08 0.00 0.00 39.78 37.71 1d3b n ASN 38 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 1d3b n MET 39 N 0.42 -0.17 -2.22 -3.83 2.81 -0.27 -4.20 117.12 109.65 1d3b n MET 39 Ca 0.16 0.34 -0.42 0.00 -1.81 0.00 0.00 57.70 55.97 1d3b n MET 39 Cb 0.34 -3.74 -0.03 0.00 -0.71 0.00 0.00 33.22 29.08 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 -2.54 6.87 -0.11 7.83 -0.87 -1.26 -3.37 114.94 121.49 1d3b s ASN 40 Ca 0.00 2.20 0.01 0.00 -1.57 0.00 0.00 52.86 53.50 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 -0.66 -0.15 0.00 -2.57 0.00 0.00 177.10 173.72 1d3b s GLN 42 N 0.18 3.74 0.11 0.00 -1.52 0.31 -0.71 119.66 121.77 1d3b s GLN 42 Ca -0.09 -0.31 0.07 0.00 -1.95 0.00 0.00 55.36 53.09 1d3b s GLN 42 Cb -0.15 -3.74 -0.04 0.00 -0.22 0.00 0.00 33.01 28.86 1d3b s GLN 42 CO 0.05 -0.40 -0.19 -1.64 -0.25 0.00 0.00 175.29 172.87 1d3b s MET 43 N 1.96 1.08 0.13 2.91 -1.94 0.84 -0.40 119.30 123.89 1d3b s MET 43 Ca 0.11 -1.17 0.05 0.00 -1.71 0.00 0.00 55.69 52.98 1d3b s MET 43 Cb -0.16 -1.24 -0.04 0.00 2.01 0.00 0.00 34.83 35.40 1d3b s MET 43 CO 0.11 0.28 -0.12 -1.54 -0.01 0.00 0.00 175.02 173.73 1d3b s SER 44 N -2.04 1.91 -1.12 3.03 1.04 -0.09 -0.25 113.70 116.18 1d3b s SER 44 Ca 0.07 -0.88 -0.21 0.00 0.48 0.00 0.00 55.95 55.41 1d3b s SER 44 Cb -0.09 -0.05 -0.00 0.00 0.10 0.00 0.00 66.02 65.98 1d3b s SER 44 CO 0.04 -0.21 0.77 0.59 0.98 0.00 0.00 173.24 175.41 1d3b n ASN 45 N 0.29 -5.28 -4.92 7.02 3.02 0.32 -2.26 115.26 113.45 1d3b n ASN 45 Ca -0.14 -1.02 -0.21 0.00 -0.03 0.00 0.00 54.58 53.18 1d3b n ASN 45 Cb 0.58 -3.16 -0.03 0.00 -0.61 0.00 0.00 39.78 36.57 1d3b n ASN 45 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1d3b s ILE 46 N -3.43 5.00 -0.16 2.41 -5.25 0.54 -4.52 121.20 115.79 1d3b s ILE 46 Ca 0.44 -1.12 0.01 0.00 -0.99 0.00 0.00 60.65 58.99 1d3b s ILE 46 Cb -0.17 -3.71 0.00 0.00 2.95 0.00 0.00 42.46 41.53 1d3b s ILE 46 CO 0.87 -0.33 -0.16 -0.89 -1.79 0.00 0.00 174.94 172.64 1d3b s THR 47 N -2.02 2.55 -0.05 8.37 2.01 -0.07 -1.48 115.64 124.94 1d3b s THR 47 Ca 0.34 -0.81 0.06 0.00 0.31 0.00 0.00 61.69 61.59 1d3b s THR 47 Cb -0.09 -2.07 -0.01 0.00 0.01 0.00 0.00 72.50 70.34 1d3b s THR 47 CO 0.28 0.52 -0.24 0.54 -0.69 0.00 0.00 174.62 175.02 1d3b s VAL 48 N 0.88 1.98 -0.28 3.82 0.11 0.09 -1.00 120.40 126.00 1d3b s VAL 48 Ca -0.04 -1.03 -0.03 0.00 -2.93 0.00 0.00 61.98 57.95 1d3b s VAL 48 Cb -0.15 -1.68 0.03 0.00 -1.53 0.00 0.00 36.38 33.05 1d3b s VAL 48 CO -0.01 0.55 -0.01 -0.89 -3.33 0.00 0.00 175.10 171.41 1d3b s THR 49 N -0.16 3.18 0.95 5.04 2.01 -0.25 -0.76 115.64 125.65 1d3b s THR 49 Ca -0.03 -1.06 -0.14 0.00 0.31 0.00 0.00 61.69 60.76 1d3b s THR 49 Cb -0.13 -2.69 0.17 0.00 0.01 0.00 0.00 72.50 69.86 1d3b s THR 49 CO 0.03 0.07 1.20 -0.31 -0.69 0.00 0.00 174.62 174.93 1d3b s TYR 50 N 1.34 2.00 0.48 4.92 1.51 0.21 -0.94 117.35 126.88 1d3b s TYR 50 Ca -0.01 0.60 0.16 0.00 -1.01 0.00 0.00 57.07 56.82 1d3b s TYR 50 Cb -0.18 -3.66 1.17 0.00 -0.11 0.00 0.00 41.96 39.19 1d3b s TYR 50 CO -0.02 -2.57 2.06 -0.09 -1.11 0.00 0.00 175.55 173.83 1d3b h ARG 51 N -1.62 0.18 -0.27 -0.62 2.43 -1.87 -1.66 114.38 110.94 1d3b h ARG 51 Ca -0.47 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1d3b h ARG 51 Cb 1.29 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1d3b h ARG 51 CO 0.51 0.12 0.00 -0.40 -1.51 0.00 0.00 179.97 178.69 1d3b n ASP 52 N -4.48 1.80 0.00 -3.80 5.68 -1.26 -4.92 116.55 109.57 1d3b n ASP 52 Ca 0.04 -1.87 0.00 0.00 -0.50 0.00 0.00 54.79 52.45 1d3b n ASP 52 Cb 0.26 -0.18 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 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 1.09 1.94 3.75 6.12 0.00 -0.63 -5.05 105.19 112.43 1d3b n GLY 53 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.77 4.16 -0.11 1.61 3.52 -1.26 -4.67 118.95 121.42 1d3b s ARG 54 Ca 0.00 2.50 -0.02 0.00 -0.13 0.00 0.00 55.73 58.08 1d3b s ARG 54 Cb 0.00 -3.04 -0.03 0.00 -1.56 0.00 0.00 34.95 30.32 1d3b s ARG 54 CO 0.00 -0.55 -0.05 0.08 -0.81 0.00 0.00 175.30 173.97 1d3b s VAL 55 N -0.19 3.82 0.19 7.11 1.01 -1.26 -0.62 120.40 130.45 1d3b s VAL 55 Ca 0.60 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 62.17 1d3b s VAL 55 Cb -0.46 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 1d3b s VAL 55 CO 0.49 0.55 0.12 0.00 0.00 0.00 0.00 175.10 176.26 1d3b s ALA 56 N -0.20 1.11 -0.03 5.51 0.00 0.06 -4.99 121.76 123.22 1d3b s ALA 56 Ca 0.03 -1.66 0.05 0.00 0.00 0.00 0.00 51.96 50.39 1d3b s ALA 56 Cb -0.13 1.30 -0.01 0.00 0.00 0.00 0.00 23.12 24.28 1d3b s ALA 56 CO 0.02 -0.57 -0.19 -0.65 0.00 0.00 0.00 175.76 174.37 1d3b s GLN 57 N -4.14 1.71 0.01 0.00 -0.21 -1.26 -0.73 119.66 115.03 1d3b s GLN 57 Ca 0.36 -0.67 0.04 0.00 0.02 0.00 0.00 55.36 55.12 1d3b s GLN 57 Cb 0.07 -1.56 -0.01 0.00 1.00 0.00 0.00 33.01 32.51 1d3b s GLN 57 CO 0.10 0.34 -0.12 -0.51 -2.12 0.00 0.00 175.29 172.98 1d3b s LEU 58 N -0.23 2.09 0.05 2.90 1.43 -0.55 -5.00 118.68 119.37 1d3b s LEU 58 Ca 0.02 -0.32 -0.18 0.00 -1.03 0.00 0.00 54.13 52.63 1d3b s LEU 58 Cb -0.09 -0.58 -0.15 0.00 0.03 0.00 0.00 46.19 45.39 1d3b s LEU 58 CO 0.01 0.09 1.29 -0.33 0.23 0.00 0.00 176.35 177.64 1d3b h GLU 59 N 5.46 0.51 -3.01 1.70 5.08 -1.94 0.15 114.58 122.53 1d3b h GLU 59 Ca -0.35 -0.34 -0.17 0.00 -1.00 0.00 0.00 59.36 57.50 1d3b h GLU 59 Cb 1.17 0.05 -0.28 0.00 0.50 0.00 0.00 28.75 30.19 1d3b h GLU 59 CO 0.47 0.95 -0.44 -1.14 -1.00 0.00 0.00 179.01 177.86 1d3b s GLN 60 N -3.97 0.26 0.12 2.33 0.74 -1.26 0.12 119.66 118.00 1d3b s GLN 60 Ca -0.13 0.50 0.05 0.00 0.05 0.00 0.00 55.36 55.82 1d3b s GLN 60 Cb 0.06 -0.01 -0.04 0.00 1.10 0.00 0.00 33.01 34.12 1d3b s GLN 60 CO 0.80 -0.12 -0.11 0.14 -0.55 0.00 0.00 175.29 175.46 1d3b s VAL 61 N 0.86 1.11 -0.24 1.34 -7.23 0.66 -5.00 120.40 111.90 1d3b s VAL 61 Ca -0.06 -1.77 0.01 0.00 -1.81 0.00 0.00 61.98 58.36 1d3b s VAL 61 Cb -0.07 -1.53 0.06 0.00 0.56 0.00 0.00 36.38 35.39 1d3b s VAL 61 CO -0.06 -0.57 -0.08 -0.47 -0.31 0.00 0.00 175.10 173.62 1d3b s TYR 62 N -2.58 2.66 -0.29 2.82 5.04 -1.26 -0.11 117.35 123.63 1d3b s TYR 62 Ca 0.09 -1.90 -0.05 0.00 -2.44 0.00 0.00 57.07 52.77 1d3b s TYR 62 Cb -0.02 -1.70 0.02 0.00 0.35 0.00 0.00 41.96 40.61 1d3b s TYR 62 CO 0.01 -0.80 0.05 0.42 -1.34 0.00 0.00 175.55 173.88 1d3b s ILE 63 N 1.31 3.68 0.44 3.14 -1.09 0.11 -4.96 121.20 123.82 1d3b s ILE 63 Ca -0.06 -0.81 -0.23 0.00 -2.23 0.00 0.00 60.65 57.32 1d3b s ILE 63 Cb -0.19 -2.91 -0.08 0.00 -1.58 0.00 0.00 42.46 37.71 1d3b s ILE 63 CO -0.06 0.09 1.10 -0.13 -1.23 0.00 0.00 174.94 174.70 1d3b s ARG 64 N 1.45 3.91 0.25 2.79 0.52 -1.26 -0.83 118.95 125.78 1d3b s ARG 64 Ca 0.02 1.60 -0.03 0.00 -0.52 0.00 0.00 55.73 56.80 1d3b s ARG 64 Cb -0.17 -2.40 0.47 0.00 0.52 0.00 0.00 34.95 33.37 1d3b s ARG 64 CO 0.01 -0.38 1.78 0.78 0.02 0.00 0.00 175.30 177.50 1d3b h GLY 65 N 2.13 1.31 1.65 -3.53 0.00 -1.72 0.39 103.07 103.30 1d3b h GLY 65 Ca -0.49 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 46.58 1d3b h GLY 65 CO 0.61 0.02 0.00 0.00 0.00 0.00 0.00 176.54 177.16 1d3b n LYS 67 N -1.33 1.55 -3.49 0.00 4.76 0.12 -4.94 118.16 114.83 1d3b n LYS 67 Ca 0.06 -1.19 -0.38 0.00 -2.87 0.00 0.00 58.31 53.93 1d3b n LYS 67 Cb 0.12 -1.42 -0.06 0.00 -1.84 0.00 0.00 35.03 31.83 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 -2.19 5.11 -0.19 -0.18 1.01 -0.77 -0.80 121.20 123.19 1d3b s ILE 68 Ca 0.19 0.80 -0.19 0.00 0.00 0.00 0.00 60.65 61.46 1d3b s ILE 68 Cb 0.17 -3.71 -0.15 0.00 0.01 0.00 0.00 42.46 38.78 1d3b s ILE 68 CO 0.46 0.52 0.13 -0.09 0.00 0.00 0.00 174.94 175.96 1d3b h ARG 69 N 5.28 0.00 -3.14 2.79 2.43 -0.56 -3.43 114.38 117.75 1d3b h ARG 69 Ca -0.49 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1d3b h ARG 69 Cb 1.21 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.66 1d3b h ARG 69 CO 0.65 0.75 0.13 -0.59 -1.51 0.00 0.00 179.97 179.40 1d3b s PHE 70 N -2.32 -0.27 0.03 2.20 -0.12 -0.97 -5.02 117.98 111.51 1d3b s PHE 70 Ca -0.25 -0.06 0.08 0.00 -0.05 0.00 0.00 56.93 56.65 1d3b s PHE 70 Cb 0.05 0.51 -0.02 0.00 -0.63 0.00 0.00 43.02 42.93 1d3b s PHE 70 CO 0.50 -0.97 -0.22 -0.51 -0.05 0.00 0.00 175.22 173.97 1d3b s LEU 71 N -2.84 2.15 -0.22 -1.99 1.02 -1.26 -0.87 118.68 114.67 1d3b s LEU 71 Ca 0.07 -0.51 -0.06 0.00 0.02 0.00 0.00 54.13 53.64 1d3b s LEU 71 Cb -0.02 -1.06 -0.03 0.00 0.02 0.00 0.00 46.19 45.10 1d3b s LEU 71 CO -0.04 0.20 0.04 -0.63 0.02 0.00 0.00 176.35 175.93 1d3b s ILE 72 N -0.75 4.18 0.17 -0.59 1.01 0.77 -4.98 121.20 121.01 1d3b s ILE 72 Ca 0.09 -0.23 0.07 0.00 0.00 0.00 0.00 60.65 60.58 1d3b s ILE 72 Cb -0.09 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 1d3b s ILE 72 CO 0.01 0.39 0.01 -0.76 0.00 0.00 0.00 174.94 174.60 1d3b s LEU 73 N 1.21 3.36 0.29 2.97 1.43 -1.26 -1.99 118.68 124.69 1d3b s LEU 73 Ca 0.04 -0.36 -0.30 0.00 -1.03 0.00 0.00 54.13 52.48 1d3b s LEU 73 Cb -0.14 -2.02 -0.13 0.00 0.03 0.00 0.00 46.19 43.93 1d3b s LEU 73 CO 0.02 0.09 1.39 -0.81 0.23 0.00 0.00 176.35 177.28 1d3b n PRO 74 N -0.09 2.18 0.00 1.29 -0.04 -1.26 -5.05 135.00 132.03 1d3b n PRO 74 Ca -0.10 0.77 0.00 0.00 -0.04 0.00 0.00 63.50 64.14 1d3b n PRO 74 Cb 0.55 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 1d3b n PRO 74 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21