#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d3b n ILE 3 N 0.00 0.08 0.00 2.46 -5.35 -1.26 -5.08 119.36 110.21 1d3b n ILE 3 Ca 0.00 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 1d3b n ILE 3 Cb 0.00 0.31 0.00 0.00 -1.74 0.00 0.00 39.64 38.21 1d3b n ILE 3 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1d3b n GLY 4 N 1.36 2.31 3.76 3.28 0.00 -1.26 -4.66 105.19 109.98 1d3b n GLY 4 Ca 0.00 -2.03 -0.39 0.00 0.00 0.00 0.00 46.02 43.60 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 -2.38 2.42 0.30 1.61 1.01 -1.26 -4.77 120.40 117.34 1d3b s VAL 5 Ca 0.00 0.35 0.03 0.00 0.00 0.00 0.00 61.98 62.36 1d3b s VAL 5 Cb 0.00 -3.19 0.35 0.00 0.00 0.00 0.00 36.38 33.53 1d3b s VAL 5 CO 0.00 0.03 1.61 -0.65 0.00 0.00 0.00 175.10 176.09 1d3b h PRO 6 N 2.17 0.11 -0.63 2.72 0.11 -2.00 0.85 132.00 135.33 1d3b h PRO 6 Ca -0.50 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.61 1d3b h PRO 6 Cb 1.27 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 1d3b h PRO 6 CO 0.60 0.07 0.42 0.97 -0.21 0.00 0.00 178.00 179.85 1d3b h ILE 7 N 0.11 1.16 -0.44 4.15 6.09 -1.96 -1.20 117.51 125.41 1d3b h ILE 7 Ca 0.58 -0.29 -0.06 0.00 -1.37 0.00 0.00 64.86 63.72 1d3b h ILE 7 Cb 1.21 0.23 -0.02 0.00 0.47 0.00 0.00 36.82 38.72 1d3b h ILE 7 CO -0.76 0.16 0.05 0.11 -3.07 0.00 0.00 178.15 174.63 1d3b h LYS 8 N 0.85 0.75 -0.61 2.19 1.57 -1.18 -0.11 116.57 120.03 1d3b h LYS 8 Ca 0.23 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 1d3b h LYS 8 Cb -0.10 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 1d3b h LYS 8 CO -0.05 0.79 0.16 0.28 -0.57 0.00 0.00 179.45 180.07 1d3b h VAL 9 N 0.61 1.25 -0.57 0.50 2.07 -1.05 -2.00 116.25 117.06 1d3b h VAL 9 Ca 0.13 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 1d3b h VAL 9 Cb 0.42 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1d3b h VAL 9 CO 0.01 0.34 0.27 0.25 0.02 0.00 0.00 177.57 178.46 1d3b h LEU 10 N 0.89 0.74 -0.89 2.57 5.85 -0.97 -2.53 115.31 120.97 1d3b h LEU 10 Ca 0.19 -0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.85 1d3b h LEU 10 Cb 0.33 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 1d3b h LEU 10 CO -0.00 0.67 0.56 0.45 -0.34 0.00 0.00 178.44 179.77 1d3b h HIS 11 N 0.77 1.03 0.00 1.25 3.86 -0.62 0.66 115.15 122.10 1d3b h HIS 11 Ca 0.20 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 1d3b h HIS 11 Cb 0.12 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.26 1d3b h HIS 11 CO -0.00 0.52 0.00 0.39 0.86 0.00 0.00 177.93 179.69 1d3b n GLU 12 N -4.60 0.08 0.05 2.45 1.02 -0.79 -1.94 120.64 116.91 1d3b n GLU 12 Ca 0.13 0.32 0.13 0.00 -0.02 0.00 0.00 57.16 57.73 1d3b n GLU 12 Cb 0.19 -1.65 0.44 0.00 -0.02 0.00 0.00 31.44 30.40 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 -1.61 2.50 -1.76 0.62 0.00 0.22 -4.87 120.51 115.62 1d3b n ALA 13 Ca 0.03 -0.11 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 1d3b n ALA 13 Cb 0.19 -1.40 -0.02 0.00 0.00 0.00 0.00 19.45 18.22 1d3b n ALA 13 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1d3b s GLU 14 N -3.06 4.12 0.00 0.00 2.02 -0.82 -0.56 118.70 120.39 1d3b s GLU 14 Ca 0.11 2.59 0.00 0.00 0.02 0.00 0.00 54.97 57.69 1d3b s GLU 14 Cb 0.15 -3.03 0.00 0.00 0.10 0.00 0.00 34.13 31.35 1d3b s GLU 14 CO 0.60 -0.66 0.00 0.41 0.02 0.00 0.00 175.26 175.63 1d3b n GLY 15 N 2.44 0.93 3.72 -1.39 0.00 0.91 -5.00 105.19 106.80 1d3b n GLY 15 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.37 2.69 0.06 1.61 3.76 0.28 -4.84 115.29 116.47 1d3b s HIS 16 Ca 0.00 -0.39 -0.30 0.00 -0.15 0.00 0.00 55.06 54.22 1d3b s HIS 16 Cb 0.00 -1.62 -0.05 0.00 1.11 0.00 0.00 32.58 32.02 1d3b s HIS 16 CO 0.00 0.36 1.06 0.42 -0.85 0.00 0.00 174.74 175.72 1d3b s ILE 17 N -2.44 4.41 0.18 0.60 1.01 -1.26 -0.39 121.20 123.32 1d3b s ILE 17 Ca 0.37 1.82 0.03 0.00 0.00 0.00 0.00 60.65 62.88 1d3b s ILE 17 Cb -0.02 -4.17 -0.05 0.00 0.01 0.00 0.00 42.46 38.23 1d3b s ILE 17 CO 0.22 0.19 -0.04 0.68 0.00 0.00 0.00 174.94 176.00 1d3b s VAL 18 N 0.65 0.98 -0.11 2.92 -7.23 0.76 -4.39 120.40 113.98 1d3b s VAL 18 Ca 0.53 -2.03 0.03 0.00 -1.81 0.00 0.00 61.98 58.70 1d3b s VAL 18 Cb -0.25 -2.10 0.00 0.00 0.56 0.00 0.00 36.38 34.59 1d3b s VAL 18 CO 0.30 -0.52 -0.23 -0.89 -0.31 0.00 0.00 175.10 173.45 1d3b s THR 19 N -3.46 2.02 -0.18 5.32 2.01 -0.93 -1.30 115.64 119.13 1d3b s THR 19 Ca 0.23 -0.98 0.01 0.00 0.31 0.00 0.00 61.69 61.26 1d3b s THR 19 Cb 0.05 -1.76 0.02 0.00 0.01 0.00 0.00 72.50 70.81 1d3b s THR 19 CO 0.04 0.55 -0.20 0.00 -0.69 0.00 0.00 174.62 174.33 1d3b s GLU 21 N 1.27 3.68 0.72 0.00 2.12 -0.26 0.08 118.70 126.31 1d3b s GLU 21 Ca 0.04 -0.48 -0.09 0.00 0.36 0.00 0.00 54.97 54.80 1d3b s GLU 21 Cb -0.13 -3.18 0.06 0.00 0.26 0.00 0.00 34.13 31.13 1d3b s GLU 21 CO -0.12 -0.02 1.06 0.95 -0.54 0.00 0.00 175.26 176.59 1d3b s THR 22 N 1.13 2.43 0.02 -1.70 -4.23 -0.18 -0.12 115.64 112.99 1d3b s THR 22 Ca 0.03 -0.10 0.31 0.00 -1.18 0.00 0.00 61.69 60.76 1d3b s THR 22 Cb -0.14 -3.09 0.34 0.00 1.34 0.00 0.00 72.50 70.95 1d3b s THR 22 CO 0.02 -0.10 1.94 0.78 -0.54 0.00 0.00 174.62 176.73 1d3b h ASN 23 N -0.70 0.00 -0.37 3.99 2.35 -1.12 -2.09 115.58 117.64 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 0.62 0.00 0.00 0.35 -1.65 0.00 0.00 177.43 176.75 1d3b n THR 24 N -2.72 2.46 -0.78 2.81 -2.24 -1.26 -4.98 114.28 107.57 1d3b n THR 24 Ca -0.00 -1.72 0.00 0.00 -2.27 0.00 0.00 64.05 60.06 1d3b n THR 24 Cb 0.19 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 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 -0.11 0.82 3.79 3.38 0.00 -0.79 -4.79 105.19 107.50 1d3b n GLY 25 Ca 0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.22 4.37 -0.15 1.61 8.01 -1.26 -4.41 118.70 126.64 1d3b s GLU 26 Ca 0.00 1.38 0.02 0.00 0.01 0.00 0.00 54.97 56.38 1d3b s GLU 26 Cb 0.00 -2.62 0.01 0.00 -4.31 0.00 0.00 34.13 27.21 1d3b s GLU 26 CO 0.00 0.07 -0.20 0.08 0.01 0.00 0.00 175.26 175.22 1d3b s VAL 27 N -1.70 2.17 -0.18 2.63 1.01 -0.17 -1.01 120.40 123.14 1d3b s VAL 27 Ca 0.55 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 1d3b s VAL 27 Cb -0.19 -1.89 -0.00 0.00 0.00 0.00 0.00 36.38 34.30 1d3b s VAL 27 CO 0.24 0.54 -0.10 -0.31 0.00 0.00 0.00 175.10 175.47 1d3b s TYR 28 N 0.95 2.87 -0.09 5.22 1.51 0.11 -0.46 117.35 127.46 1d3b s TYR 28 Ca -0.04 -0.99 0.02 0.00 -1.01 0.00 0.00 57.07 55.06 1d3b s TYR 28 Cb -0.15 -1.98 0.01 0.00 -0.11 0.00 0.00 41.96 39.73 1d3b s TYR 28 CO -0.04 -0.49 -0.15 0.50 -1.11 0.00 0.00 175.55 174.25 1d3b s ARG 29 N 1.06 2.15 0.00 -0.62 3.52 0.03 0.35 118.95 125.44 1d3b s ARG 29 Ca -0.00 -0.55 0.00 0.00 -0.13 0.00 0.00 55.73 55.05 1d3b s ARG 29 Cb -0.15 -1.77 0.00 0.00 -1.56 0.00 0.00 34.95 31.48 1d3b s ARG 29 CO -0.02 0.01 0.00 0.41 -0.81 0.00 0.00 175.30 174.89 1d3b n GLY 30 N 3.95 -1.28 3.69 8.12 0.00 -0.42 -0.48 105.19 118.77 1d3b n GLY 30 Ca -0.20 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 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 4.36 -0.14 1.61 2.20 -0.88 -0.17 119.74 126.19 1d3b s LYS 31 Ca 0.00 1.67 -0.29 0.00 -0.36 0.00 0.00 55.97 56.98 1d3b s LYS 31 Cb 0.00 -3.55 -0.01 0.00 -1.51 0.00 0.00 37.83 32.76 1d3b s LYS 31 CO 0.00 -0.43 1.06 -1.17 -0.36 0.00 0.00 175.35 174.45 1d3b s LEU 32 N 2.16 4.20 -0.24 5.43 2.96 0.47 -0.95 118.68 132.72 1d3b s LEU 32 Ca 0.56 1.54 -0.14 0.00 -0.22 0.00 0.00 54.13 55.87 1d3b s LEU 32 Cb -0.25 -3.55 -0.16 0.00 0.50 0.00 0.00 46.19 42.73 1d3b s LEU 32 CO 0.22 -0.55 -0.08 -0.38 -1.32 0.00 0.00 176.35 174.24 1d3b n ILE 33 N 4.85 1.55 -3.70 6.68 2.08 -0.23 -0.06 119.36 130.53 1d3b n ILE 33 Ca 0.10 -0.32 -0.11 0.00 0.56 0.00 0.00 62.75 62.98 1d3b n ILE 33 Cb 0.47 -1.86 -0.10 0.00 -0.75 0.00 0.00 39.64 37.40 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 0.47 -0.19 0.38 2.12 -1.10 -4.60 118.70 113.31 1d3b s GLU 34 Ca -0.33 0.77 -0.04 0.00 0.36 0.00 0.00 54.97 55.73 1d3b s GLU 34 Cb 0.10 0.09 -0.02 0.00 0.26 0.00 0.00 34.13 34.57 1d3b s GLU 34 CO 0.57 -0.12 -0.04 0.00 -0.54 0.00 0.00 175.26 175.12 1d3b s ALA 35 N 1.01 2.88 0.86 6.30 0.00 -1.26 -0.32 121.76 131.23 1d3b s ALA 35 Ca -0.06 -1.02 -0.11 0.00 0.00 0.00 0.00 51.96 50.77 1d3b s ALA 35 Cb -0.06 -1.63 0.15 0.00 0.00 0.00 0.00 23.12 21.58 1d3b s ALA 35 CO -0.09 -0.15 1.19 -1.21 0.00 0.00 0.00 175.76 175.50 1d3b s GLU 36 N 1.01 1.20 0.51 0.00 2.02 0.86 -4.92 118.70 119.38 1d3b s GLU 36 Ca 0.01 -0.54 0.19 0.00 0.02 0.00 0.00 54.97 54.65 1d3b s GLU 36 Cb -0.15 -2.02 1.30 0.00 0.10 0.00 0.00 34.13 33.36 1d3b s GLU 36 CO 0.01 -1.96 2.11 -0.44 0.02 0.00 0.00 175.26 175.00 1d3b h ASP 37 N -1.18 0.00 -0.35 -0.19 3.32 -2.00 -1.28 116.42 114.74 1d3b h ASP 37 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1d3b h ASP 37 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1d3b h ASP 37 CO 0.43 0.08 0.00 -0.46 -1.72 0.00 0.00 179.24 177.57 1d3b n ASN 38 N -4.24 2.23 -0.45 6.45 0.23 -1.26 -4.90 115.26 113.32 1d3b n ASN 38 Ca -0.03 -1.91 -0.06 0.00 -0.53 0.00 0.00 54.58 52.05 1d3b n ASN 38 Cb 0.16 -0.23 -0.03 0.00 -2.08 0.00 0.00 39.78 37.60 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 0.71 -0.41 -2.25 -3.83 2.81 -0.48 -4.04 117.12 109.62 1d3b n MET 39 Ca 0.15 0.71 -0.42 0.00 -1.81 0.00 0.00 57.70 56.33 1d3b n MET 39 Cb 0.38 -4.46 -0.03 0.00 -0.71 0.00 0.00 33.22 28.40 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 -2.94 6.89 -0.10 7.83 -0.87 -1.26 -3.20 114.94 121.30 1d3b s ASN 40 Ca 0.00 2.14 0.02 0.00 -1.57 0.00 0.00 52.86 53.45 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 -0.65 -0.17 0.00 -2.57 0.00 0.00 177.10 173.71 1d3b s GLN 42 N 0.05 4.30 0.09 0.00 -1.52 0.57 -0.51 119.66 122.63 1d3b s GLN 42 Ca -0.06 0.25 0.05 0.00 -1.95 0.00 0.00 55.36 53.65 1d3b s GLN 42 Cb -0.15 -3.43 -0.03 0.00 -0.22 0.00 0.00 33.01 29.18 1d3b s GLN 42 CO 0.05 0.20 -0.13 -1.64 -0.25 0.00 0.00 175.29 173.52 1d3b s MET 43 N 0.56 0.88 0.13 2.91 -1.94 -0.18 -1.06 119.30 120.59 1d3b s MET 43 Ca 0.21 -1.09 0.02 0.00 -1.71 0.00 0.00 55.69 53.12 1d3b s MET 43 Cb -0.14 -0.76 -0.04 0.00 2.01 0.00 0.00 34.83 35.90 1d3b s MET 43 CO 0.07 0.15 -0.05 -1.54 -0.01 0.00 0.00 175.02 173.63 1d3b s SER 44 N -2.14 1.26 -1.14 3.03 1.04 -0.13 -1.27 113.70 114.35 1d3b s SER 44 Ca 0.03 -1.05 -0.26 0.00 0.48 0.00 0.00 55.95 55.15 1d3b s SER 44 Cb -0.07 0.09 0.02 0.00 0.10 0.00 0.00 66.02 66.16 1d3b s SER 44 CO 0.02 -0.47 0.72 0.59 0.98 0.00 0.00 173.24 175.07 1d3b n ASN 45 N -0.12 -4.73 -4.96 7.02 3.02 0.10 -2.08 115.26 113.51 1d3b n ASN 45 Ca -0.10 -1.14 -0.23 0.00 -0.03 0.00 0.00 54.58 53.08 1d3b n ASN 45 Cb 0.61 -2.35 -0.02 0.00 -0.61 0.00 0.00 39.78 37.41 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 -3.44 5.23 -0.19 2.41 -5.25 -0.23 -4.45 121.20 115.27 1d3b s ILE 46 Ca 0.43 -0.80 -0.02 0.00 -0.99 0.00 0.00 60.65 59.27 1d3b s ILE 46 Cb -0.20 -3.84 -0.00 0.00 2.95 0.00 0.00 42.46 41.37 1d3b s ILE 46 CO 0.92 -0.34 -0.10 -0.89 -1.79 0.00 0.00 174.94 172.74 1d3b s THR 47 N -2.02 2.93 -0.06 8.37 2.01 0.36 -1.41 115.64 125.83 1d3b s THR 47 Ca 0.36 -0.65 0.03 0.00 0.31 0.00 0.00 61.69 61.73 1d3b s THR 47 Cb -0.09 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 70.10 1d3b s THR 47 CO 0.30 0.47 -0.13 0.54 -0.69 0.00 0.00 174.62 175.12 1d3b s VAL 48 N 1.25 3.17 -0.24 3.82 0.11 0.37 -0.79 120.40 128.08 1d3b s VAL 48 Ca 0.03 -0.68 -0.02 0.00 -2.93 0.00 0.00 61.98 58.38 1d3b s VAL 48 Cb -0.14 -2.26 0.02 0.00 -1.53 0.00 0.00 36.38 32.47 1d3b s VAL 48 CO -0.05 0.58 -0.06 -0.89 -3.33 0.00 0.00 175.10 171.36 1d3b s THR 49 N -0.61 2.96 0.87 5.04 2.01 0.39 -1.27 115.64 125.05 1d3b s THR 49 Ca 0.09 -0.92 -0.13 0.00 0.31 0.00 0.00 61.69 61.03 1d3b s THR 49 Cb -0.11 -2.47 0.12 0.00 0.01 0.00 0.00 72.50 70.05 1d3b s THR 49 CO 0.01 0.24 1.20 -0.31 -0.69 0.00 0.00 174.62 175.08 1d3b s TYR 50 N 1.36 2.50 0.48 4.92 1.51 0.10 -1.00 117.35 127.21 1d3b s TYR 50 Ca 0.01 0.67 0.15 0.00 -1.01 0.00 0.00 57.07 56.89 1d3b s TYR 50 Cb -0.16 -3.61 1.13 0.00 -0.11 0.00 0.00 41.96 39.21 1d3b s TYR 50 CO -0.04 -2.15 2.07 -0.09 -1.11 0.00 0.00 175.55 174.23 1d3b h ARG 51 N -1.32 0.22 -0.12 -0.62 2.43 -1.87 -0.55 114.38 112.55 1d3b h ARG 51 Ca -0.46 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1d3b h ARG 51 Cb 1.31 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 1d3b h ARG 51 CO 0.58 0.14 0.00 -0.40 -1.51 0.00 0.00 179.97 178.79 1d3b n ASP 52 N -4.49 1.26 0.00 -3.80 5.75 -1.26 -4.91 116.55 109.10 1d3b n ASP 52 Ca 0.03 -1.63 0.00 0.00 -0.01 0.00 0.00 54.79 53.18 1d3b n ASP 52 Cb 0.21 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 1d3b n ASP 52 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1d3b n GLY 53 N 1.05 0.77 3.76 6.12 0.00 -0.21 -5.04 105.19 111.64 1d3b n GLY 53 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.72 4.32 -0.02 1.61 3.52 -1.26 -4.66 118.95 121.74 1d3b s ARG 54 Ca 0.00 2.25 0.03 0.00 -0.13 0.00 0.00 55.73 57.88 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 -0.29 -0.10 0.08 -0.81 0.00 0.00 175.30 174.18 1d3b s VAL 55 N -0.64 3.41 0.26 7.11 1.01 -1.26 0.03 120.40 130.32 1d3b s VAL 55 Ca 0.53 -0.74 -0.12 0.00 0.00 0.00 0.00 61.98 61.65 1d3b s VAL 55 Cb -0.41 -2.42 -0.00 0.00 0.00 0.00 0.00 36.38 33.55 1d3b s VAL 55 CO 0.49 0.48 0.49 0.00 0.00 0.00 0.00 175.10 176.56 1d3b s ALA 56 N -0.88 -0.16 -0.01 5.51 0.00 -0.40 -4.98 121.76 120.85 1d3b s ALA 56 Ca 0.14 -0.94 0.08 0.00 0.00 0.00 0.00 51.96 51.24 1d3b s ALA 56 Cb -0.11 1.07 -0.02 0.00 0.00 0.00 0.00 23.12 24.06 1d3b s ALA 56 CO 0.04 -0.85 -0.25 -0.65 0.00 0.00 0.00 175.76 174.05 1d3b s GLN 57 N -3.86 1.96 0.02 0.00 -1.52 -1.26 -0.48 119.66 114.52 1d3b s GLN 57 Ca 0.23 -0.91 0.04 0.00 -1.95 0.00 0.00 55.36 52.77 1d3b s GLN 57 Cb -0.01 -1.92 -0.02 0.00 -0.22 0.00 0.00 33.01 30.84 1d3b s GLN 57 CO 0.10 0.52 -0.13 -0.51 -0.25 0.00 0.00 175.29 175.03 1d3b s LEU 58 N -0.67 2.13 0.05 2.90 1.43 -0.50 -4.99 118.68 119.04 1d3b s LEU 58 Ca 0.10 -0.38 -0.18 0.00 -1.03 0.00 0.00 54.13 52.64 1d3b s LEU 58 Cb -0.10 -0.56 -0.15 0.00 0.03 0.00 0.00 46.19 45.42 1d3b s LEU 58 CO -0.01 0.05 1.30 -0.33 0.23 0.00 0.00 176.35 177.59 1d3b h GLU 59 N 5.19 0.52 -3.35 1.70 5.08 -1.95 -0.60 114.58 121.17 1d3b h GLU 59 Ca -0.36 -0.36 -0.16 0.00 -1.00 0.00 0.00 59.36 57.48 1d3b h GLU 59 Cb 1.18 0.05 -0.24 0.00 0.50 0.00 0.00 28.75 30.24 1d3b h GLU 59 CO 0.45 0.97 -0.49 -1.14 -1.00 0.00 0.00 179.01 177.81 1d3b s GLN 60 N -3.96 0.33 0.07 2.33 0.74 -1.26 0.00 119.66 117.92 1d3b s GLN 60 Ca -0.13 0.00 0.02 0.00 0.05 0.00 0.00 55.36 55.30 1d3b s GLN 60 Cb 0.06 0.15 -0.03 0.00 1.10 0.00 0.00 33.01 34.29 1d3b s GLN 60 CO 0.81 -0.07 -0.06 0.14 -0.55 0.00 0.00 175.29 175.56 1d3b s VAL 61 N -0.50 0.56 -0.26 1.34 -7.23 -0.40 -4.99 120.40 108.93 1d3b s VAL 61 Ca -0.06 -1.58 0.01 0.00 -1.81 0.00 0.00 61.98 58.55 1d3b s VAL 61 Cb -0.04 -1.23 0.07 0.00 0.56 0.00 0.00 36.38 35.74 1d3b s VAL 61 CO 0.01 -0.70 -0.04 -0.47 -0.31 0.00 0.00 175.10 173.59 1d3b s TYR 62 N -2.78 2.65 -0.30 2.82 5.04 -1.26 -1.01 117.35 122.51 1d3b s TYR 62 Ca 0.02 -1.99 -0.07 0.00 -2.44 0.00 0.00 57.07 52.59 1d3b s TYR 62 Cb -0.00 -1.80 0.01 0.00 0.35 0.00 0.00 41.96 40.51 1d3b s TYR 62 CO -0.03 -0.82 0.10 0.42 -1.34 0.00 0.00 175.55 173.87 1d3b s ILE 63 N 1.30 4.09 0.39 3.14 -1.09 0.33 -4.95 121.20 124.42 1d3b s ILE 63 Ca -0.03 -0.66 -0.26 0.00 -2.23 0.00 0.00 60.65 57.46 1d3b s ILE 63 Cb -0.19 -3.12 -0.09 0.00 -1.58 0.00 0.00 42.46 37.49 1d3b s ILE 63 CO -0.07 0.06 1.20 -0.13 -1.23 0.00 0.00 174.94 174.76 1d3b s ARG 64 N 1.52 4.09 0.35 2.79 0.52 -1.26 -0.23 118.95 126.73 1d3b s ARG 64 Ca 0.03 1.91 0.05 0.00 -0.52 0.00 0.00 55.73 57.20 1d3b s ARG 64 Cb -0.17 -2.74 0.71 0.00 0.52 0.00 0.00 34.95 33.27 1d3b s ARG 64 CO 0.03 -0.31 1.95 0.78 0.02 0.00 0.00 175.30 177.77 1d3b h GLY 65 N 2.75 1.02 1.44 -3.53 0.00 -1.69 -0.93 103.07 102.14 1d3b h GLY 65 Ca -0.49 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.52 1d3b h GLY 65 CO 0.63 0.23 0.00 0.00 0.00 0.00 0.00 176.54 177.40 1d3b n LYS 67 N -1.22 1.55 -3.34 0.00 4.76 -0.36 -4.95 118.16 114.60 1d3b n LYS 67 Ca 0.07 -1.06 -0.38 0.00 -2.87 0.00 0.00 58.31 54.08 1d3b n LYS 67 Cb 0.10 -1.28 -0.06 0.00 -1.84 0.00 0.00 35.03 31.94 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 -1.68 5.17 -0.13 -0.18 1.01 -0.68 -0.58 121.20 124.13 1d3b s ILE 68 Ca 0.15 0.92 -0.14 0.00 0.00 0.00 0.00 60.65 61.59 1d3b s ILE 68 Cb 0.13 -3.80 -0.12 0.00 0.01 0.00 0.00 42.46 38.69 1d3b s ILE 68 CO 0.32 0.36 0.28 -0.09 0.00 0.00 0.00 174.94 175.81 1d3b h ARG 69 N 6.48 0.00 -3.12 2.79 2.43 -0.71 -3.43 114.38 118.82 1d3b h ARG 69 Ca -0.42 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1d3b h ARG 69 Cb 1.18 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.63 1d3b h ARG 69 CO 0.74 0.46 0.14 -0.59 -1.51 0.00 0.00 179.97 179.21 1d3b s PHE 70 N -1.95 -0.31 0.02 2.20 -0.12 -0.93 -5.02 117.98 111.87 1d3b s PHE 70 Ca -0.11 -0.00 0.09 0.00 -0.05 0.00 0.00 56.93 56.85 1d3b s PHE 70 Cb -0.00 0.52 -0.03 0.00 -0.63 0.00 0.00 43.02 42.88 1d3b s PHE 70 CO 0.33 -0.95 -0.25 -0.51 -0.05 0.00 0.00 175.22 173.79 1d3b s LEU 71 N -2.83 2.13 -0.27 -1.99 1.02 -1.26 -1.10 118.68 114.38 1d3b s LEU 71 Ca 0.06 -0.54 -0.08 0.00 0.02 0.00 0.00 54.13 53.59 1d3b s LEU 71 Cb -0.02 -1.26 -0.02 0.00 0.02 0.00 0.00 46.19 44.91 1d3b s LEU 71 CO -0.05 0.26 0.10 -0.63 0.02 0.00 0.00 176.35 176.05 1d3b s ILE 72 N -0.74 4.43 0.24 -0.59 1.01 0.11 -4.98 121.20 120.68 1d3b s ILE 72 Ca 0.11 -0.26 0.07 0.00 0.00 0.00 0.00 60.65 60.57 1d3b s ILE 72 Cb -0.10 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 1d3b s ILE 72 CO 0.01 0.24 0.17 -0.76 0.00 0.00 0.00 174.94 174.60 1d3b s LEU 73 N 1.62 3.75 0.27 2.97 1.43 -1.26 -2.18 118.68 125.28 1d3b s LEU 73 Ca 0.06 -0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 52.59 1d3b s LEU 73 Cb -0.16 -2.29 -0.10 0.00 0.03 0.00 0.00 46.19 43.67 1d3b s LEU 73 CO 0.05 -0.02 1.44 -2.16 0.23 0.00 0.00 176.35 175.89 1d3b s PRO 74 N -3.70 4.25 0.00 1.29 0.04 -1.26 -5.04 135.00 130.58 1d3b s PRO 74 Ca 0.32 2.34 0.00 0.00 0.04 0.00 0.00 61.00 63.70 1d3b s PRO 74 Cb -0.08 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.37 1d3b s PRO 74 CO 0.24 -0.42 0.00 -0.25 0.04 0.00 0.00 177.00 176.61