#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d3b s VAL 5 N 0.00 4.73 0.27 1.61 -7.23 -1.26 -4.87 120.40 113.65 1d3b s VAL 5 Ca 0.00 0.83 -0.04 0.00 -1.81 0.00 0.00 61.98 60.95 1d3b s VAL 5 Cb 0.00 -3.63 0.33 0.00 0.56 0.00 0.00 36.38 33.64 1d3b s VAL 5 CO 0.00 -0.21 1.61 -0.65 -0.31 0.00 0.00 175.10 175.54 1d3b h PRO 6 N 2.17 0.07 -0.65 4.82 0.11 -2.05 0.23 132.00 136.71 1d3b h PRO 6 Ca -0.48 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1d3b h PRO 6 Cb 1.18 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1d3b h PRO 6 CO 0.66 0.05 0.40 0.97 -0.21 0.00 0.00 178.00 179.87 1d3b h ILE 7 N 0.08 1.18 -0.30 4.15 6.09 -1.96 -0.47 117.51 126.28 1d3b h ILE 7 Ca 0.47 -0.38 -0.10 0.00 -1.37 0.00 0.00 64.86 63.48 1d3b h ILE 7 Cb 0.87 0.26 -0.01 0.00 0.47 0.00 0.00 36.82 38.41 1d3b h ILE 7 CO -0.76 0.18 -0.25 0.11 -3.07 0.00 0.00 178.15 174.36 1d3b h LYS 8 N 0.89 0.59 -0.49 2.19 1.57 -0.95 -0.54 116.57 119.82 1d3b h LYS 8 Ca 0.23 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1d3b h LYS 8 Cb -0.05 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1d3b h LYS 8 CO -0.05 0.79 0.19 0.28 -0.57 0.00 0.00 179.45 180.09 1d3b h VAL 9 N 0.51 1.21 -0.36 0.50 2.07 -0.38 -1.46 116.25 118.34 1d3b h VAL 9 Ca 0.07 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 66.93 1d3b h VAL 9 Cb 0.71 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1d3b h VAL 9 CO 0.05 0.25 0.23 0.25 0.02 0.00 0.00 177.57 178.38 1d3b h LEU 10 N 0.64 0.40 -1.20 2.57 5.85 -0.72 -1.92 115.31 120.94 1d3b h LEU 10 Ca 0.16 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.92 1d3b h LEU 10 Cb 0.20 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 1d3b h LEU 10 CO -0.01 0.29 0.56 0.45 -0.34 0.00 0.00 178.44 179.39 1d3b h HIS 11 N 0.48 1.00 0.00 1.25 3.86 -0.73 -0.54 115.15 120.47 1d3b h HIS 11 Ca 0.13 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 1d3b h HIS 11 Cb -0.05 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.09 1d3b h HIS 11 CO -0.05 0.55 0.00 0.93 0.86 0.00 0.00 177.93 180.22 1d3b h GLU 12 N 1.01 0.00 -0.00 2.45 5.08 -0.45 -1.33 114.58 121.33 1d3b h GLU 12 Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1d3b h GLU 12 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1d3b h GLU 12 CO -0.12 0.00 -0.19 0.00 -1.00 0.00 0.00 179.01 177.70 1d3b n ALA 13 N -1.87 2.88 -1.68 3.43 0.00 -0.21 -4.84 120.51 118.22 1d3b n ALA 13 Ca -0.00 -0.27 -0.42 0.00 0.00 0.00 0.00 53.44 52.75 1d3b n ALA 13 Cb 0.13 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 18.26 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 -1.15 2.83 0.00 0.00 1.02 -0.51 0.24 120.64 123.07 1d3b n GLU 14 Ca 0.11 1.03 0.00 0.00 -0.02 0.00 0.00 57.16 58.28 1d3b n GLU 14 Cb 0.31 -2.94 0.00 0.00 -0.02 0.00 0.00 31.44 28.78 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 4.33 0.21 3.75 0.62 0.00 0.15 -5.01 105.19 109.24 1d3b n GLY 15 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.00 2.68 0.05 1.61 3.76 0.14 -4.85 115.29 116.68 1d3b s HIS 16 Ca 0.00 -0.45 -0.28 0.00 -0.15 0.00 0.00 55.06 54.18 1d3b s HIS 16 Cb 0.00 -1.80 -0.05 0.00 1.11 0.00 0.00 32.58 31.84 1d3b s HIS 16 CO 0.00 0.23 0.89 0.42 -0.85 0.00 0.00 174.74 175.44 1d3b s ILE 17 N -2.48 4.71 0.18 0.60 1.01 -1.26 -0.96 121.20 123.00 1d3b s ILE 17 Ca 0.40 1.90 0.07 0.00 0.00 0.00 0.00 60.65 63.02 1d3b s ILE 17 Cb -0.01 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 1d3b s ILE 17 CO 0.23 0.28 -0.14 0.68 0.00 0.00 0.00 174.94 176.00 1d3b s VAL 18 N 0.33 1.57 -0.11 2.92 -7.23 0.81 -4.33 120.40 114.36 1d3b s VAL 18 Ca 0.45 -2.10 0.01 0.00 -1.81 0.00 0.00 61.98 58.53 1d3b s VAL 18 Cb -0.21 -1.93 -0.02 0.00 0.56 0.00 0.00 36.38 34.78 1d3b s VAL 18 CO 0.26 -0.59 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.43 1d3b s THR 19 N -2.90 3.00 -0.17 5.32 2.01 -0.78 -0.70 115.64 121.42 1d3b s THR 19 Ca 0.19 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.50 1d3b s THR 19 Cb -0.01 -2.23 0.03 0.00 0.01 0.00 0.00 72.50 70.29 1d3b s THR 19 CO 0.05 0.54 -0.16 0.00 -0.69 0.00 0.00 174.62 174.36 1d3b s GLU 21 N 1.36 3.71 0.81 0.00 2.12 0.18 -0.13 118.70 126.74 1d3b s GLU 21 Ca 0.04 -0.46 -0.12 0.00 0.36 0.00 0.00 54.97 54.79 1d3b s GLU 21 Cb -0.14 -3.30 0.08 0.00 0.26 0.00 0.00 34.13 31.03 1d3b s GLU 21 CO -0.11 -0.11 1.17 0.95 -0.54 0.00 0.00 175.26 176.62 1d3b s THR 22 N 1.40 2.12 -0.47 -1.70 -4.23 -0.33 -0.02 115.64 112.41 1d3b s THR 22 Ca 0.05 0.04 0.24 0.00 -1.18 0.00 0.00 61.69 60.84 1d3b s THR 22 Cb -0.15 -3.03 0.25 0.00 1.34 0.00 0.00 72.50 70.91 1d3b s THR 22 CO 0.04 -0.05 1.71 0.59 -0.54 0.00 0.00 174.62 176.36 1d3b n ASN 23 N -3.31 0.67 -0.89 3.99 3.02 0.48 -1.96 115.26 117.25 1d3b n ASN 23 Ca 0.08 0.67 0.08 0.00 -0.03 0.00 0.00 54.58 55.37 1d3b n ASN 23 Cb 0.61 -0.81 0.21 0.00 -0.61 0.00 0.00 39.78 39.18 1d3b n ASN 23 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1d3b n THR 24 N -2.24 1.01 -0.37 3.41 -2.24 -1.26 -4.99 114.28 107.60 1d3b n THR 24 Ca 0.02 -1.00 0.00 0.00 -2.27 0.00 0.00 64.05 60.80 1d3b n THR 24 Cb 0.22 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 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 0.91 0.75 3.78 3.38 0.00 -0.83 -4.81 105.19 108.37 1d3b n GLY 25 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.63 4.60 -0.18 1.61 8.01 -1.26 -4.41 118.70 126.44 1d3b s GLU 26 Ca 0.00 1.29 -0.00 0.00 0.01 0.00 0.00 54.97 56.26 1d3b s GLU 26 Cb 0.00 -2.97 0.00 0.00 -4.31 0.00 0.00 34.13 26.86 1d3b s GLU 26 CO 0.00 0.38 -0.14 0.08 0.01 0.00 0.00 175.26 175.59 1d3b s VAL 27 N -1.46 2.61 -0.24 2.63 1.01 0.77 -1.19 120.40 124.54 1d3b s VAL 27 Ca 0.46 -0.77 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 1d3b s VAL 27 Cb -0.20 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 1d3b s VAL 27 CO 0.26 0.50 -0.00 -0.31 0.00 0.00 0.00 175.10 175.55 1d3b s TYR 28 N 1.16 3.01 -0.11 5.22 1.51 0.81 -0.06 117.35 128.90 1d3b s TYR 28 Ca 0.01 -0.82 0.03 0.00 -1.01 0.00 0.00 57.07 55.28 1d3b s TYR 28 Cb -0.14 -2.15 0.01 0.00 -0.11 0.00 0.00 41.96 39.56 1d3b s TYR 28 CO -0.06 -0.51 -0.20 0.50 -1.11 0.00 0.00 175.55 174.18 1d3b s ARG 29 N 1.51 2.69 0.00 -0.62 3.52 0.34 0.89 118.95 127.28 1d3b s ARG 29 Ca 0.05 -0.74 0.00 0.00 -0.13 0.00 0.00 55.73 54.91 1d3b s ARG 29 Cb -0.15 -2.16 0.00 0.00 -1.56 0.00 0.00 34.95 31.08 1d3b s ARG 29 CO -0.01 0.03 0.00 0.41 -0.81 0.00 0.00 175.30 174.92 1d3b n GLY 30 N 3.94 -1.32 3.66 8.12 0.00 0.13 -0.41 105.19 119.31 1d3b n GLY 30 Ca -0.20 -0.94 -0.43 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 -0.72 4.24 -0.30 1.61 2.20 -0.81 -0.13 119.74 125.84 1d3b s LYS 31 Ca 0.00 1.72 -0.29 0.00 -0.36 0.00 0.00 55.97 57.04 1d3b s LYS 31 Cb 0.00 -3.76 0.00 0.00 -1.51 0.00 0.00 37.83 32.56 1d3b s LYS 31 CO 0.00 -0.69 1.31 -1.17 -0.36 0.00 0.00 175.35 174.44 1d3b s LEU 32 N 3.37 3.88 -0.16 5.43 2.96 -0.13 -0.84 118.68 133.19 1d3b s LEU 32 Ca 0.57 1.22 -0.10 0.00 -0.22 0.00 0.00 54.13 55.60 1d3b s LEU 32 Cb -0.23 -3.54 -0.23 0.00 0.50 0.00 0.00 46.19 42.69 1d3b s LEU 32 CO 0.17 -1.08 0.25 -0.38 -1.32 0.00 0.00 176.35 173.98 1d3b n ILE 33 N 6.21 1.69 -3.64 6.68 5.41 0.31 0.34 119.36 136.36 1d3b n ILE 33 Ca 0.15 -0.49 -0.09 0.00 1.00 0.00 0.00 62.75 63.31 1d3b n ILE 33 Cb 0.47 -1.78 -0.07 0.00 -0.71 0.00 0.00 39.64 37.54 1d3b n ILE 33 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1d3b s GLU 34 N -2.51 0.70 -0.09 0.38 2.12 -0.91 -4.62 118.70 113.76 1d3b s GLU 34 Ca -0.26 1.01 -0.01 0.00 0.36 0.00 0.00 54.97 56.07 1d3b s GLU 34 Cb 0.07 0.24 -0.03 0.00 0.26 0.00 0.00 34.13 34.68 1d3b s GLU 34 CO 0.70 -0.11 -0.06 0.00 -0.54 0.00 0.00 175.26 175.25 1d3b s ALA 35 N 0.98 3.00 0.37 6.30 0.00 -1.26 -0.00 121.76 131.14 1d3b s ALA 35 Ca -0.05 -0.86 0.07 0.00 0.00 0.00 0.00 51.96 51.12 1d3b s ALA 35 Cb -0.05 -1.33 -0.01 0.00 0.00 0.00 0.00 23.12 21.73 1d3b s ALA 35 CO -0.10 0.47 0.43 -1.21 0.00 0.00 0.00 175.76 175.35 1d3b s GLU 36 N -0.48 2.85 0.43 0.00 2.02 -0.33 -4.95 118.70 118.26 1d3b s GLU 36 Ca 0.07 -1.23 0.25 0.00 0.02 0.00 0.00 54.97 54.09 1d3b s GLU 36 Cb -0.12 -2.64 1.28 0.00 0.10 0.00 0.00 34.13 32.75 1d3b s GLU 36 CO 0.02 -0.04 1.72 -0.44 0.02 0.00 0.00 175.26 176.54 1d3b h ASP 37 N 0.96 0.31 -0.37 -0.19 5.19 -1.99 0.65 116.42 120.98 1d3b h ASP 37 Ca -0.43 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.06 1d3b h ASP 37 Cb 1.26 0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.82 1d3b h ASP 37 CO 0.53 -0.01 0.00 -0.46 -3.12 0.00 0.00 179.24 176.18 1d3b n ASN 38 N -4.57 2.01 0.00 6.45 0.23 -1.26 -4.91 115.26 113.21 1d3b n ASN 38 Ca 0.29 -1.99 0.00 0.00 -0.53 0.00 0.00 54.58 52.35 1d3b n ASN 38 Cb 1.12 -0.25 0.00 0.00 -2.08 0.00 0.00 39.78 38.58 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 0.60 -0.18 -1.93 -3.83 2.81 0.23 -4.07 117.12 110.74 1d3b n MET 39 Ca 0.13 0.05 -0.42 0.00 -1.81 0.00 0.00 57.70 55.64 1d3b n MET 39 Cb 0.32 -3.12 -0.03 0.00 -0.71 0.00 0.00 33.22 29.68 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 -2.19 6.58 -0.08 7.83 -0.87 -1.25 -3.56 114.94 121.40 1d3b s ASN 40 Ca 0.00 2.65 0.05 0.00 -1.57 0.00 0.00 52.86 53.99 1d3b s ASN 40 Cb 0.00 -2.60 -0.00 0.00 -0.02 0.00 0.00 41.25 38.62 1d3b s ASN 40 CO 0.00 -0.81 -0.24 0.00 -2.57 0.00 0.00 177.10 173.48 1d3b s GLN 42 N 0.10 4.00 0.13 0.00 2.00 1.00 -0.73 119.66 126.16 1d3b s GLN 42 Ca -0.11 -0.13 0.07 0.00 -2.00 0.00 0.00 55.36 53.19 1d3b s GLN 42 Cb -0.16 -3.64 -0.04 0.00 0.80 0.00 0.00 33.01 29.97 1d3b s GLN 42 CO 0.06 -0.20 -0.17 -1.64 -0.50 0.00 0.00 175.29 172.85 1d3b s MET 43 N 1.82 1.11 0.13 1.67 -1.94 -0.52 -0.53 119.30 121.04 1d3b s MET 43 Ca 0.11 -1.26 0.03 0.00 -1.71 0.00 0.00 55.69 52.86 1d3b s MET 43 Cb -0.16 -1.13 -0.04 0.00 2.01 0.00 0.00 34.83 35.51 1d3b s MET 43 CO 0.10 0.23 -0.08 -1.54 -0.01 0.00 0.00 175.02 173.72 1d3b s SER 44 N -2.38 1.50 -1.07 3.03 1.04 -0.02 -1.13 113.70 114.68 1d3b s SER 44 Ca 0.10 -1.01 -0.20 0.00 0.48 0.00 0.00 55.95 55.32 1d3b s SER 44 Cb -0.06 0.04 0.01 0.00 0.10 0.00 0.00 66.02 66.10 1d3b s SER 44 CO 0.04 -0.39 0.72 0.59 0.98 0.00 0.00 173.24 175.18 1d3b n ASN 45 N -0.13 -5.09 -4.97 7.02 4.13 0.04 -1.92 115.26 114.34 1d3b n ASN 45 Ca -0.11 -1.02 -0.21 0.00 1.68 0.00 0.00 54.58 54.92 1d3b n ASN 45 Cb 0.61 -2.70 -0.01 0.00 -1.54 0.00 0.00 39.78 36.13 1d3b n ASN 45 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 1d3b s ILE 46 N -3.36 4.90 -0.14 2.41 -5.25 0.07 -4.39 121.20 115.44 1d3b s ILE 46 Ca 0.36 -0.92 0.02 0.00 -0.99 0.00 0.00 60.65 59.13 1d3b s ILE 46 Cb -0.16 -3.73 0.01 0.00 2.95 0.00 0.00 42.46 41.53 1d3b s ILE 46 CO 0.89 -0.31 -0.20 -0.89 -1.79 0.00 0.00 174.94 172.64 1d3b s THR 47 N -2.09 2.22 -0.03 8.37 2.01 0.45 -1.97 115.64 124.61 1d3b s THR 47 Ca 0.38 -0.93 0.06 0.00 0.31 0.00 0.00 61.69 61.51 1d3b s THR 47 Cb -0.09 -1.90 -0.02 0.00 0.01 0.00 0.00 72.50 70.49 1d3b s THR 47 CO 0.31 0.54 -0.19 0.54 -0.69 0.00 0.00 174.62 175.13 1d3b s VAL 48 N 0.78 2.66 -0.21 3.82 0.11 0.24 -0.50 120.40 127.30 1d3b s VAL 48 Ca -0.07 -0.92 -0.02 0.00 -2.93 0.00 0.00 61.98 58.03 1d3b s VAL 48 Cb -0.16 -2.01 0.00 0.00 -1.53 0.00 0.00 36.38 32.68 1d3b s VAL 48 CO -0.01 0.56 -0.09 -0.89 -3.33 0.00 0.00 175.10 171.34 1d3b s THR 49 N -0.71 3.00 0.74 5.04 2.01 0.92 -0.98 115.64 125.66 1d3b s THR 49 Ca 0.11 -0.64 -0.06 0.00 0.31 0.00 0.00 61.69 61.41 1d3b s THR 49 Cb -0.10 -2.35 0.10 0.00 0.01 0.00 0.00 72.50 70.15 1d3b s THR 49 CO 0.00 0.44 1.05 -0.31 -0.69 0.00 0.00 174.62 175.12 1d3b s TYR 50 N 1.42 2.39 0.41 4.92 1.51 -0.14 -0.16 117.35 127.70 1d3b s TYR 50 Ca 0.05 0.23 0.14 0.00 -1.01 0.00 0.00 57.07 56.49 1d3b s TYR 50 Cb -0.14 -3.29 1.00 0.00 -0.11 0.00 0.00 41.96 39.42 1d3b s TYR 50 CO -0.06 -1.66 1.92 0.00 -1.11 0.00 0.00 175.55 174.64 1d3b h ARG 51 N -0.72 0.46 -0.20 -0.62 3.08 -1.87 -0.83 114.38 113.67 1d3b h ARG 51 Ca -0.42 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.60 1d3b h ARG 51 Cb 1.29 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1d3b h ARG 51 CO 0.52 0.31 0.00 -0.40 -1.07 0.00 0.00 179.97 179.32 1d3b n ASP 52 N -4.49 1.41 0.00 7.04 5.75 -1.26 -4.91 116.55 120.09 1d3b n ASP 52 Ca 0.14 -1.82 0.00 0.00 -0.01 0.00 0.00 54.79 53.11 1d3b n ASP 52 Cb 0.50 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 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 1.00 0.90 3.73 6.12 0.00 -0.32 -5.02 105.19 111.60 1d3b n GLY 53 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.41 4.21 -0.13 1.61 3.52 -1.26 -4.71 118.95 121.79 1d3b s ARG 54 Ca 0.00 2.38 -0.03 0.00 -0.13 0.00 0.00 55.73 57.95 1d3b s ARG 54 Cb 0.00 -3.13 -0.03 0.00 -1.56 0.00 0.00 34.95 30.23 1d3b s ARG 54 CO 0.00 -0.58 -0.03 0.08 -0.81 0.00 0.00 175.30 173.96 1d3b s VAL 55 N 0.82 4.00 0.28 7.11 1.01 -1.26 -0.96 120.40 131.39 1d3b s VAL 55 Ca 0.68 -0.34 -0.06 0.00 0.00 0.00 0.00 61.98 62.25 1d3b s VAL 55 Cb -0.44 -2.72 -0.01 0.00 0.00 0.00 0.00 36.38 33.21 1d3b s VAL 55 CO 0.35 0.53 0.41 0.00 0.00 0.00 0.00 175.10 176.39 1d3b s ALA 56 N -0.11 0.43 0.16 5.51 0.00 -0.15 -4.98 121.76 122.62 1d3b s ALA 56 Ca 0.03 -1.29 0.09 0.00 0.00 0.00 0.00 51.96 50.79 1d3b s ALA 56 Cb -0.13 1.17 -0.04 0.00 0.00 0.00 0.00 23.12 24.12 1d3b s ALA 56 CO 0.02 -0.78 -0.20 -0.65 0.00 0.00 0.00 175.76 174.16 1d3b s GLN 57 N -3.66 1.30 -0.05 0.00 -0.21 -1.26 0.83 119.66 116.60 1d3b s GLN 57 Ca 0.29 -1.39 -0.06 0.00 0.02 0.00 0.00 55.36 54.21 1d3b s GLN 57 Cb 0.01 -1.45 0.01 0.00 1.00 0.00 0.00 33.01 32.59 1d3b s GLN 57 CO 0.14 0.30 0.16 -0.51 -2.12 0.00 0.00 175.29 173.27 1d3b s LEU 58 N -2.55 1.39 0.28 2.90 1.43 -0.83 -4.94 118.68 116.37 1d3b s LEU 58 Ca 0.15 0.24 0.05 0.00 -1.03 0.00 0.00 54.13 53.54 1d3b s LEU 58 Cb -0.07 0.60 0.41 0.00 0.03 0.00 0.00 46.19 47.16 1d3b s LEU 58 CO 0.07 -0.12 1.68 -0.33 0.23 0.00 0.00 176.35 177.88 1d3b h GLU 59 N 5.58 0.32 -2.32 1.70 5.08 -1.95 0.22 114.58 123.21 1d3b h GLU 59 Ca -0.26 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 57.87 1d3b h GLU 59 Cb 1.20 -0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.23 1d3b h GLU 59 CO 0.40 0.67 -0.01 -1.14 -1.00 0.00 0.00 179.01 177.93 1d3b s GLN 60 N -4.19 0.75 0.05 2.33 0.74 -1.26 -0.78 119.66 117.29 1d3b s GLN 60 Ca -0.05 0.64 -0.02 0.00 0.05 0.00 0.00 55.36 55.98 1d3b s GLN 60 Cb 0.13 0.36 -0.03 0.00 1.10 0.00 0.00 33.01 34.57 1d3b s GLN 60 CO 0.78 -0.13 0.01 0.14 -0.55 0.00 0.00 175.29 175.54 1d3b s VAL 61 N -0.08 0.19 -0.26 1.34 -7.23 -0.28 -5.00 120.40 109.08 1d3b s VAL 61 Ca -0.03 -1.57 0.00 0.00 -1.81 0.00 0.00 61.98 58.57 1d3b s VAL 61 Cb -0.04 -1.30 0.07 0.00 0.56 0.00 0.00 36.38 35.67 1d3b s VAL 61 CO 0.03 -0.87 0.00 -0.47 -0.31 0.00 0.00 175.10 173.48 1d3b s TYR 62 N -3.53 2.23 -0.25 2.82 5.04 -1.26 -1.44 117.35 120.97 1d3b s TYR 62 Ca 0.03 -1.78 -0.08 0.00 -2.44 0.00 0.00 57.07 52.80 1d3b s TYR 62 Cb 0.05 -1.70 -0.03 0.00 0.35 0.00 0.00 41.96 40.63 1d3b s TYR 62 CO -0.09 -0.80 0.08 0.42 -1.34 0.00 0.00 175.55 173.83 1d3b s ILE 63 N 1.45 4.42 0.39 3.14 -1.09 0.09 -4.94 121.20 124.65 1d3b s ILE 63 Ca 0.00 -0.14 -0.25 0.00 -2.23 0.00 0.00 60.65 58.03 1d3b s ILE 63 Cb -0.18 -3.06 -0.09 0.00 -1.58 0.00 0.00 42.46 37.55 1d3b s ILE 63 CO -0.11 0.34 1.12 -0.13 -1.23 0.00 0.00 174.94 174.93 1d3b s ARG 64 N 1.52 4.16 0.45 2.79 0.52 -1.26 0.42 118.95 127.55 1d3b s ARG 64 Ca 0.06 1.72 0.13 0.00 -0.52 0.00 0.00 55.73 57.12 1d3b s ARG 64 Cb -0.15 -2.69 0.99 0.00 0.52 0.00 0.00 34.95 33.63 1d3b s ARG 64 CO 0.04 -0.19 2.01 0.78 0.02 0.00 0.00 175.30 177.95 1d3b h GLY 65 N 2.73 0.09 1.85 -3.53 0.00 -1.70 -2.03 103.07 100.47 1d3b h GLY 65 Ca -0.48 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1d3b h GLY 65 CO 0.63 0.04 0.00 0.00 0.00 0.00 0.00 176.54 177.21 1d3b n LYS 67 N -1.43 1.91 -3.41 0.00 4.76 -0.76 -4.95 118.16 114.28 1d3b n LYS 67 Ca 0.05 -1.79 -0.37 0.00 -2.87 0.00 0.00 58.31 53.33 1d3b n LYS 67 Cb 0.15 -1.40 -0.06 0.00 -1.84 0.00 0.00 35.03 31.87 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 -1.64 5.24 -0.14 -0.18 1.01 -0.72 -0.39 121.20 124.38 1d3b s ILE 68 Ca 0.25 0.78 -0.13 0.00 0.00 0.00 0.00 60.65 61.56 1d3b s ILE 68 Cb 0.17 -3.74 -0.10 0.00 0.01 0.00 0.00 42.46 38.81 1d3b s ILE 68 CO 0.26 0.35 0.15 -0.09 0.00 0.00 0.00 174.94 175.62 1d3b h ARG 69 N 6.71 0.00 -3.23 2.79 2.43 -0.63 -3.43 114.38 119.02 1d3b h ARG 69 Ca -0.41 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.74 1d3b h ARG 69 Cb 1.17 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 30.61 1d3b h ARG 69 CO 0.76 0.39 0.06 -0.59 -1.51 0.00 0.00 179.97 179.08 1d3b s PHE 70 N -2.03 -0.26 -0.00 2.20 -0.12 -0.91 -5.03 117.98 111.83 1d3b s PHE 70 Ca -0.13 -0.04 0.08 0.00 -0.05 0.00 0.00 56.93 56.78 1d3b s PHE 70 Cb 0.01 0.42 -0.02 0.00 -0.63 0.00 0.00 43.02 42.80 1d3b s PHE 70 CO 0.31 -0.86 -0.24 -0.51 -0.05 0.00 0.00 175.22 173.87 1d3b s LEU 71 N -2.82 2.18 -0.28 -1.99 1.43 -1.26 -0.65 118.68 115.29 1d3b s LEU 71 Ca 0.05 -0.47 -0.07 0.00 -1.03 0.00 0.00 54.13 52.62 1d3b s LEU 71 Cb -0.00 -1.36 -0.00 0.00 0.03 0.00 0.00 46.19 44.85 1d3b s LEU 71 CO -0.08 0.31 0.07 -0.63 0.23 0.00 0.00 176.35 176.25 1d3b s ILE 72 N -0.68 4.01 0.32 -0.59 1.01 0.16 -4.95 121.20 120.46 1d3b s ILE 72 Ca 0.11 -0.55 0.07 0.00 0.00 0.00 0.00 60.65 60.28 1d3b s ILE 72 Cb -0.10 -3.00 -0.02 0.00 0.01 0.00 0.00 42.46 39.35 1d3b s ILE 72 CO 0.00 0.17 0.41 -0.76 0.00 0.00 0.00 174.94 174.77 1d3b s LEU 73 N 1.53 3.93 0.56 2.97 1.43 -1.26 -1.86 118.68 125.97 1d3b s LEU 73 Ca 0.04 -0.23 -0.20 0.00 -1.03 0.00 0.00 54.13 52.72 1d3b s LEU 73 Cb -0.16 -2.64 -0.05 0.00 0.03 0.00 0.00 46.19 43.37 1d3b s LEU 73 CO 0.02 -0.36 1.20 -2.84 0.23 0.00 0.00 176.35 174.60 1d3b s PRO 74 N -4.10 3.18 0.00 1.29 0.02 -1.26 -5.02 135.00 129.10 1d3b s PRO 74 Ca 0.43 1.81 0.00 0.00 0.02 0.00 0.00 61.00 63.26 1d3b s PRO 74 Cb -0.09 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.39 1d3b s PRO 74 CO 0.30 -1.03 0.00 -3.47 -0.33 0.00 0.00 177.00 172.46