#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hia s ILE 17 N 0.00 4.56 -1.89 1.39 -1.09 -1.26 -4.17 121.20 118.75 1hia s ILE 17 Ca 0.00 1.63 0.00 0.00 -2.23 0.00 0.00 60.65 60.05 1hia s ILE 17 Cb 0.00 -4.11 0.00 0.00 -1.58 0.00 0.00 42.46 36.77 1hia s ILE 17 CO 0.00 0.45 0.00 0.61 -1.23 0.00 0.00 174.94 174.77 1hia n GLY 18 N 1.97 1.72 0.00 6.18 0.00 -1.26 -4.98 105.19 108.82 1hia n GLY 18 Ca -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1hia n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hia n GLY 19 N -0.40 2.57 3.34 -0.02 0.00 -1.26 -5.16 105.19 104.26 1hia n GLY 19 Ca -0.18 -2.05 -0.11 0.00 0.00 0.00 0.00 46.02 43.69 1hia n GLY 19 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1hia s ARG 20 N 2.15 1.12 0.13 1.61 1.70 -1.26 -5.13 118.95 119.26 1hia s ARG 20 Ca 0.00 -0.70 -0.34 0.00 -0.47 0.00 0.00 55.73 54.22 1hia s ARG 20 Cb 0.00 0.49 -0.17 0.00 -0.57 0.00 0.00 34.95 34.70 1hia s ARG 20 CO 0.00 -0.45 1.10 -1.91 -1.08 0.00 0.00 175.30 172.96 1hia n GLU 21 N -0.25 0.80 -1.96 3.89 2.13 -1.26 -4.94 120.64 119.05 1hia n GLU 21 Ca -0.16 0.29 -0.31 0.00 0.66 0.00 0.00 57.16 57.64 1hia n GLU 21 Cb 0.64 -1.75 0.00 0.00 0.27 0.00 0.00 31.44 30.60 1hia n GLU 21 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1hia s GLU 23 N -5.00 4.14 0.54 0.00 8.01 -1.26 -4.84 118.70 120.30 1hia s GLU 23 Ca 0.56 2.53 0.27 0.00 0.01 0.00 0.00 54.97 58.34 1hia s GLU 23 Cb -0.11 -3.01 1.43 0.00 -4.31 0.00 0.00 34.13 28.14 1hia s GLU 23 CO 0.50 -0.54 1.96 0.87 0.01 0.00 0.00 175.26 178.06 1hia h LYS 24 N 3.91 0.00 -0.39 1.61 6.56 -2.02 -2.25 116.57 123.98 1hia h LYS 24 Ca -0.49 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.05 1hia h LYS 24 Cb 1.23 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.86 1hia h LYS 24 CO 0.71 0.00 0.03 0.27 -2.06 0.00 0.00 179.45 178.41 1hia n ASN 25 N -4.30 4.19 -0.56 0.86 6.94 -1.26 -4.55 115.26 116.58 1hia n ASN 25 Ca 0.12 -3.12 0.05 0.00 -0.02 0.00 0.00 54.58 51.62 1hia n ASN 25 Cb 0.71 -0.61 0.11 0.00 -2.36 0.00 0.00 39.78 37.63 1hia n ASN 25 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1hia n SER 26 N -0.34 2.53 -2.69 0.53 3.41 -0.85 -4.65 113.62 111.55 1hia n SER 26 Ca 0.27 -1.79 -0.07 0.00 -0.26 0.00 0.00 58.87 57.01 1hia n SER 26 Cb 1.04 -0.14 0.03 0.00 -0.26 0.00 0.00 64.21 64.88 1hia n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hia n HIS 27 N 0.55 1.24 0.31 7.33 1.44 -1.26 -4.94 115.22 119.89 1hia n HIS 27 Ca 0.09 -2.64 0.20 0.00 -2.01 0.00 0.00 57.72 53.36 1hia n HIS 27 Cb 0.37 -0.34 0.95 0.00 0.12 0.00 0.00 29.99 31.09 1hia n HIS 27 CO 0.00 0.00 0.00 -1.00 -2.81 0.00 0.00 176.34 172.53 1hia h PRO 28 N 2.89 0.00 0.00 -1.40 0.13 -1.89 -2.37 132.00 129.36 1hia h PRO 28 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1hia h PRO 28 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1hia h PRO 28 CO 0.44 0.00 -0.08 0.11 -0.23 0.00 0.00 178.00 178.23 1hia h TRP 29 N 0.00 0.00 -2.94 1.56 5.08 -1.93 -3.43 115.95 114.29 1hia h TRP 29 Ca 0.00 0.00 -0.53 0.00 1.08 0.00 0.00 58.89 59.44 1hia h TRP 29 Cb 0.25 0.00 0.02 0.00 -3.00 0.00 0.00 29.16 26.43 1hia h TRP 29 CO 0.00 0.00 0.78 -1.14 -1.28 0.00 0.00 178.44 176.80 1hia s GLN 30 N -3.20 4.29 0.11 0.12 2.00 -0.89 -1.59 119.66 120.50 1hia s GLN 30 Ca 0.07 2.13 0.05 0.00 -2.00 0.00 0.00 55.36 55.61 1hia s GLN 30 Cb 0.07 -3.28 -0.04 0.00 0.80 0.00 0.00 33.01 30.56 1hia s GLN 30 CO 0.67 -0.49 0.03 0.08 -0.50 0.00 0.00 175.29 175.07 1hia s VAL 31 N 1.30 4.12 -0.18 1.34 1.01 -0.95 -4.43 120.40 122.62 1hia s VAL 31 Ca 0.66 -1.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 1hia s VAL 31 Cb -0.38 -3.00 -0.00 0.00 0.00 0.00 0.00 36.38 33.00 1hia s VAL 31 CO 0.30 0.06 -0.11 0.00 0.00 0.00 0.00 175.10 175.36 1hia s ALA 32 N -1.43 2.64 -0.25 5.51 0.00 -0.23 -2.77 121.76 125.23 1hia s ALA 32 Ca 0.27 -1.08 -0.00 0.00 0.00 0.00 0.00 51.96 51.15 1hia s ALA 32 Cb -0.11 -1.41 0.04 0.00 0.00 0.00 0.00 23.12 21.63 1hia s ALA 32 CO 0.20 -0.17 -0.08 0.42 0.00 0.00 0.00 175.76 176.13 1hia s ILE 33 N 1.03 2.63 0.08 0.00 1.01 -0.36 -0.34 121.20 125.25 1hia s ILE 33 Ca -0.01 -1.23 0.02 0.00 0.00 0.00 0.00 60.65 59.43 1hia s ILE 33 Cb -0.15 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 1hia s ILE 33 CO -0.02 0.12 0.14 -0.31 0.00 0.00 0.00 174.94 174.87 1hia s TYR 34 N 1.25 3.33 -0.38 3.97 1.51 -0.70 -0.70 117.35 125.63 1hia s TYR 34 Ca -0.03 0.14 0.04 0.00 -1.01 0.00 0.00 57.07 56.21 1hia s TYR 34 Cb -0.18 -1.67 0.11 0.00 -0.11 0.00 0.00 41.96 40.11 1hia s TYR 34 CO -0.05 0.55 0.10 -1.58 -1.11 0.00 0.00 175.55 173.46 1hia s HIS 35 N -1.46 3.53 -0.63 2.71 2.46 0.47 -2.22 115.29 120.15 1hia s HIS 35 Ca 0.32 -2.99 -0.15 0.00 0.47 0.00 0.00 55.06 52.71 1hia s HIS 35 Cb -0.12 -2.84 0.02 0.00 -0.13 0.00 0.00 32.58 29.51 1hia s HIS 35 CO 0.25 -0.90 0.64 0.66 -2.47 0.00 0.00 174.74 172.92 1hia n TYR 36 N 4.00 -2.66 0.00 3.88 4.01 -1.26 -3.21 117.16 121.91 1hia n TYR 36 Ca 0.04 1.08 0.00 0.00 -0.16 0.00 0.00 57.90 58.86 1hia n TYR 36 Cb 0.40 -2.94 0.00 0.00 -0.31 0.00 0.00 39.34 36.49 1hia n TYR 36 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1hia n SER 38 N -1.34 0.00 -4.82 7.72 3.41 -1.26 -4.99 113.62 112.33 1hia n SER 38 Ca -0.12 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.13 1hia n SER 38 Cb 0.62 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.50 1hia n SER 38 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1hia s SER 39 N -0.03 6.18 0.29 4.04 0.15 -1.20 -5.09 113.70 118.05 1hia s SER 39 Ca 0.00 0.38 -0.29 0.00 0.70 0.00 0.00 55.95 56.74 1hia s SER 39 Cb 0.00 -1.99 -0.09 0.00 -1.71 0.00 0.00 66.02 62.22 1hia s SER 39 CO 0.00 0.36 1.07 0.12 1.20 0.00 0.00 173.24 175.99 1hia s PHE 40 N -0.76 3.60 0.00 3.44 5.36 -1.26 -0.39 117.98 127.96 1hia s PHE 40 Ca 0.13 1.73 0.00 0.00 -0.96 0.00 0.00 56.93 57.83 1hia s PHE 40 Cb -0.12 -3.21 0.00 0.00 -0.34 0.00 0.00 43.02 39.35 1hia s PHE 40 CO 0.03 -0.40 0.00 0.94 -1.46 0.00 0.00 175.22 174.33 1hia n GLN 41 N 1.06 0.00 -4.04 10.12 7.27 0.13 -4.84 117.38 127.07 1hia n GLN 41 Ca -0.00 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 56.95 1hia n GLN 41 Cb 0.46 -0.46 -0.05 0.00 2.41 0.00 0.00 30.24 32.61 1hia n GLN 41 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1hia n GLY 43 N -0.47 2.52 3.86 0.00 0.00 -1.26 -1.22 105.19 108.62 1hia n GLY 43 Ca -0.01 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.81 1hia n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hia n GLY 44 N 1.88 0.40 2.83 -0.02 0.00 -1.11 -4.70 105.19 104.46 1hia n GLY 44 Ca 0.02 -1.09 -0.13 0.00 0.00 0.00 0.00 46.02 44.82 1hia n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hia s VAL 45 N -2.04 -0.03 -0.51 1.61 1.01 0.20 -2.24 120.40 118.40 1hia s VAL 45 Ca 0.26 0.10 -0.28 0.00 0.00 0.00 0.00 61.98 62.06 1hia s VAL 45 Cb -0.02 -0.05 0.02 0.00 0.00 0.00 0.00 36.38 36.33 1hia s VAL 45 CO 0.02 0.04 1.34 -0.22 0.00 0.00 0.00 175.10 176.29 1hia s LEU 46 N 0.51 3.50 0.06 3.92 2.96 -0.62 -0.11 118.68 128.90 1hia s LEU 46 Ca -0.04 0.45 0.20 0.00 -0.22 0.00 0.00 54.13 54.51 1hia s LEU 46 Cb -0.06 -3.29 -0.15 0.00 0.50 0.00 0.00 46.19 43.19 1hia s LEU 46 CO -0.01 -1.53 0.74 1.33 -1.32 0.00 0.00 176.35 175.56 1hia n VAL 47 N 6.90 0.79 -3.73 1.68 0.24 -0.65 -4.95 118.33 118.62 1hia n VAL 47 Ca 0.13 -0.63 -0.12 0.00 -2.04 0.00 0.00 64.34 61.69 1hia n VAL 47 Cb 0.49 -0.44 -0.07 0.00 -1.47 0.00 0.00 33.84 32.35 1hia n VAL 47 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1hia s ASN 48 N -5.36 -0.16 0.56 -1.34 2.47 -1.14 -4.99 114.94 104.98 1hia s ASN 48 Ca -0.04 -0.17 0.34 0.00 0.42 0.00 0.00 52.86 53.41 1hia s ASN 48 Cb 0.10 0.38 1.47 0.00 -1.45 0.00 0.00 41.25 41.75 1hia s ASN 48 CO 0.83 -0.65 1.76 -0.65 -3.72 0.00 0.00 177.10 174.67 1hia h PRO 49 N 3.09 0.00 -0.10 0.43 0.11 -2.03 -1.89 132.00 131.61 1hia h PRO 49 Ca -0.32 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.67 1hia h PRO 49 Cb 1.20 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.14 1hia h PRO 49 CO 0.46 0.00 -0.71 0.36 -0.21 0.00 0.00 178.00 177.90 1hia n LYS 50 N -3.95 1.40 -3.79 1.05 2.85 -1.26 -5.04 118.16 109.42 1hia n LYS 50 Ca 0.22 -3.07 -0.13 0.00 -1.05 0.00 0.00 58.31 54.29 1hia n LYS 50 Cb 1.19 -1.26 -0.12 0.00 -0.65 0.00 0.00 35.03 34.18 1hia n LYS 50 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 1hia s TRP 51 N -2.45 -0.25 -0.03 5.58 0.52 -0.71 -5.11 118.94 116.49 1hia s TRP 51 Ca 0.38 0.60 0.06 0.00 0.02 0.00 0.00 56.10 57.16 1hia s TRP 51 Cb 0.38 0.07 -0.01 0.00 -1.15 0.00 0.00 33.47 32.76 1hia s TRP 51 CO -0.08 -0.13 -0.20 0.08 0.02 0.00 0.00 176.95 176.63 1hia s VAL 52 N 0.31 1.63 -0.19 4.03 1.01 -1.26 -1.64 120.40 124.28 1hia s VAL 52 Ca -0.02 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 61.04 1hia s VAL 52 Cb -0.03 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 1hia s VAL 52 CO -0.01 0.46 0.04 -0.22 0.00 0.00 0.00 175.10 175.37 1hia s LEU 53 N -0.26 3.61 0.00 3.92 2.96 0.84 -4.91 118.68 124.85 1hia s LEU 53 Ca 0.02 -0.03 0.03 0.00 -0.22 0.00 0.00 54.13 53.93 1hia s LEU 53 Cb -0.10 -1.92 -0.01 0.00 0.50 0.00 0.00 46.19 44.66 1hia s LEU 53 CO 0.01 0.12 0.17 1.07 -1.32 0.00 0.00 176.35 176.40 1hia n THR 54 N 3.87 0.00 -2.89 3.68 5.66 -1.26 -0.63 114.28 122.71 1hia n THR 54 Ca -0.17 -1.22 -0.33 0.00 -3.05 0.00 0.00 64.05 59.29 1hia n THR 54 Cb 0.52 0.63 -0.06 0.00 -1.55 0.00 0.00 70.33 69.87 1hia n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1hia s ALA 55 N -2.63 3.15 0.37 1.79 0.00 -1.26 -4.98 121.76 118.21 1hia s ALA 55 Ca 0.20 0.23 0.14 0.00 0.00 0.00 0.00 51.96 52.52 1hia s ALA 55 Cb 0.01 -2.99 0.78 0.00 0.00 0.00 0.00 23.12 20.91 1hia s ALA 55 CO 0.14 0.16 1.85 0.00 0.00 0.00 0.00 175.76 177.91 1hia h ALA 56 N 1.90 1.39 0.00 0.00 0.00 -1.99 -2.29 119.26 118.27 1hia h ALA 56 Ca -0.48 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1hia h ALA 56 Cb 1.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1hia h ALA 56 CO 0.63 0.43 0.00 -2.39 0.00 0.00 0.00 179.25 177.92 1hia n HIS 57 N -4.07 0.00 1.50 0.00 1.44 -1.26 -2.32 115.22 110.51 1hia n HIS 57 Ca -0.02 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.83 1hia n HIS 57 Cb 0.39 -0.34 0.62 0.00 0.12 0.00 0.00 29.99 30.78 1hia n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1hia n LYS 59 N -0.70 2.31 -3.94 0.00 4.81 -0.98 -5.00 118.16 114.66 1hia n LYS 59 Ca 0.17 0.82 -0.09 0.00 -0.87 0.00 0.00 58.31 58.33 1hia n LYS 59 Cb 0.27 -2.53 -0.03 0.00 0.02 0.00 0.00 35.03 32.77 1hia n LYS 59 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1hia s ASN 60 N 0.33 0.06 0.45 3.14 3.84 -1.26 -5.06 114.94 116.43 1hia s ASN 60 Ca 0.65 -0.99 0.25 0.00 0.21 0.00 0.00 52.86 52.98 1hia s ASN 60 Cb -0.58 0.68 0.92 0.00 -0.55 0.00 0.00 41.25 41.72 1hia s ASN 60 CO 0.50 -1.32 1.82 -2.24 -2.79 0.00 0.00 177.10 173.07 1hia h ASP 61 N 2.12 0.00 -3.61 -4.21 3.04 -2.02 -3.44 116.42 108.29 1hia h ASP 61 Ca -0.26 0.00 -0.17 0.00 -3.24 0.00 0.00 57.03 53.36 1hia h ASP 61 Cb 1.25 0.00 -0.27 0.00 -1.04 0.00 0.00 39.33 39.27 1hia h ASP 61 CO 0.34 0.20 -0.43 0.21 -2.04 0.00 0.00 179.24 177.51 1hia s ASN 62 N -6.13 -0.28 0.09 4.15 2.47 -1.26 -5.16 114.94 108.82 1hia s ASN 62 Ca 0.01 0.54 0.07 0.00 0.42 0.00 0.00 52.86 53.90 1hia s ASN 62 Cb 0.10 0.50 -0.03 0.00 -1.45 0.00 0.00 41.25 40.36 1hia s ASN 62 CO 0.63 -0.12 -0.17 -0.31 -3.72 0.00 0.00 177.10 173.40 1hia s TYR 63 N 0.63 1.51 -0.21 0.43 2.02 -1.26 -4.50 117.35 115.97 1hia s TYR 63 Ca -0.04 -0.45 -0.04 0.00 -0.37 0.00 0.00 57.07 56.16 1hia s TYR 63 Cb -0.05 -0.83 0.08 0.00 -0.40 0.00 0.00 41.96 40.76 1hia s TYR 63 CO -0.04 0.14 0.13 -1.21 -1.57 0.00 0.00 175.55 173.00 1hia s GLU 64 N -1.97 0.12 -0.14 -0.62 2.02 -0.94 -4.07 118.70 113.10 1hia s GLU 64 Ca 0.04 -0.15 -0.16 0.00 0.02 0.00 0.00 54.97 54.71 1hia s GLU 64 Cb -0.09 -1.53 -0.04 0.00 0.10 0.00 0.00 34.13 32.56 1hia s GLU 64 CO 0.03 -0.77 0.40 0.08 0.02 0.00 0.00 175.26 175.03 1hia s VAL 65 N 2.17 5.23 -0.18 2.63 1.01 -0.36 -1.72 120.40 129.18 1hia s VAL 65 Ca 0.05 0.78 -0.02 0.00 0.00 0.00 0.00 61.98 62.79 1hia s VAL 65 Cb -0.16 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 1hia s VAL 65 CO -0.17 0.34 -0.10 0.26 0.00 0.00 0.00 175.10 175.43 1hia s TRP 66 N 0.67 2.88 0.30 5.22 0.52 0.53 -1.89 118.94 127.17 1hia s TRP 66 Ca 0.22 -0.95 0.09 0.00 0.02 0.00 0.00 56.10 55.48 1hia s TRP 66 Cb -0.14 -1.99 -0.04 0.00 -1.15 0.00 0.00 33.47 30.15 1hia s TRP 66 CO 0.08 -0.47 0.05 -0.51 0.02 0.00 0.00 176.95 176.12 1hia s LEU 67 N 1.06 3.22 -1.26 2.99 1.43 0.22 -1.06 118.68 125.28 1hia s LEU 67 Ca -0.00 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 52.40 1hia s LEU 67 Cb -0.15 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.36 1hia s LEU 67 CO -0.02 -0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.05 1hia n GLY 69 N -1.00 1.29 3.98 -3.19 0.00 -1.26 -1.50 105.19 103.52 1hia n GLY 69 Ca -0.05 -0.45 -0.20 0.00 0.00 0.00 0.00 46.02 45.32 1hia n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hia s ARG 70 N -2.98 3.21 0.00 1.61 0.52 -1.26 -4.14 118.95 115.90 1hia s ARG 70 Ca 0.00 -0.91 0.00 0.00 -0.52 0.00 0.00 55.73 54.30 1hia s ARG 70 Cb 0.00 -2.82 0.00 0.00 0.52 0.00 0.00 34.95 32.65 1hia s ARG 70 CO 0.00 0.14 0.00 1.58 0.02 0.00 0.00 175.30 177.04 1hia n HIS 71 N -1.61 0.00 -3.90 -0.53 -0.00 -1.26 -5.01 115.22 102.91 1hia n HIS 71 Ca -0.02 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.35 1hia n HIS 71 Cb 0.58 0.26 -0.13 0.00 -0.00 0.00 0.00 29.99 30.69 1hia n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1hia s ASN 72 N -4.11 4.93 0.23 0.26 3.84 -1.26 -4.99 114.94 113.85 1hia s ASN 72 Ca 0.00 -1.51 -0.06 0.00 0.21 0.00 0.00 52.86 51.50 1hia s ASN 72 Cb 0.00 -1.72 0.23 0.00 -0.55 0.00 0.00 41.25 39.21 1hia s ASN 72 CO 0.00 -0.32 1.82 -0.07 -2.79 0.00 0.00 177.10 175.73 1hia h LEU 73 N 7.96 1.05 -6.68 3.21 3.38 -2.03 -3.30 115.31 118.91 1hia h LEU 73 Ca -0.18 -0.14 -0.76 0.00 0.09 0.00 0.00 57.88 56.89 1hia h LEU 73 Cb 1.05 -0.27 -0.17 0.00 0.09 0.00 0.00 40.66 41.36 1hia h LEU 73 CO 0.56 0.91 1.81 0.49 0.09 0.00 0.00 178.44 182.30 1hia n PHE 74 N -4.30 3.19 0.00 1.13 3.72 -1.26 -4.71 117.46 115.24 1hia n PHE 74 Ca 0.07 -2.87 0.00 0.00 -0.05 0.00 0.00 57.45 54.61 1hia n PHE 74 Cb 0.16 -1.92 0.00 0.00 -0.94 0.00 0.00 39.48 36.78 1hia n PHE 74 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1hia n GLU 75 N 3.88 0.00 -4.74 -1.08 2.13 -1.24 -5.14 120.64 114.45 1hia n GLU 75 Ca 0.38 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.87 1hia n GLU 75 Cb 0.37 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 31.94 1hia n GLU 75 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1hia s ASN 76 N 0.00 4.18 0.10 4.31 2.47 -1.26 -4.94 114.94 119.81 1hia s ASN 76 Ca 0.00 -0.24 0.06 0.00 0.42 0.00 0.00 52.86 53.10 1hia s ASN 76 Cb 0.00 -1.42 -0.04 0.00 -1.45 0.00 0.00 41.25 38.34 1hia s ASN 76 CO 0.00 0.23 -0.04 -1.61 -3.72 0.00 0.00 177.10 171.96 1hia s GLU 77 N -0.01 2.38 0.00 0.43 2.02 -1.26 -4.99 118.70 117.27 1hia s GLU 77 Ca -0.03 -0.93 0.26 0.00 0.02 0.00 0.00 54.97 54.29 1hia s GLU 77 Cb -0.14 -2.44 1.43 0.00 0.10 0.00 0.00 34.13 33.08 1hia s GLU 77 CO 0.04 0.52 1.88 0.27 0.02 0.00 0.00 175.26 177.99 1hia n ASN 78 N 0.54 0.00 0.02 -0.19 6.94 -1.26 -2.36 115.26 118.95 1hia n ASN 78 Ca -0.12 -0.49 0.11 0.00 -0.02 0.00 0.00 54.58 54.07 1hia n ASN 78 Cb 0.52 -0.13 -0.06 0.00 -2.36 0.00 0.00 39.78 37.76 1hia n ASN 78 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1hia n THR 79 N -1.13 0.16 -1.88 5.53 -2.24 -1.26 -5.00 114.28 108.47 1hia n THR 79 Ca 0.16 -0.34 -0.38 0.00 -2.27 0.00 0.00 64.05 61.22 1hia n THR 79 Cb 0.14 0.15 0.03 0.00 -2.10 0.00 0.00 70.33 68.55 1hia n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hia s ALA 80 N -3.30 2.84 -0.03 6.98 0.00 -1.00 -4.52 121.76 122.73 1hia s ALA 80 Ca -0.00 1.25 -0.00 0.00 0.00 0.00 0.00 51.96 53.21 1hia s ALA 80 Cb 0.14 -3.53 0.03 0.00 0.00 0.00 0.00 23.12 19.76 1hia s ALA 80 CO 0.84 -1.24 0.02 -0.65 0.00 0.00 0.00 175.76 174.73 1hia s GLN 81 N -2.88 0.16 -0.00 0.00 -0.21 -0.56 -4.98 119.66 111.18 1hia s GLN 81 Ca 0.70 0.18 -0.02 0.00 0.02 0.00 0.00 55.36 56.24 1hia s GLN 81 Cb -0.38 -0.48 -0.04 0.00 1.00 0.00 0.00 33.01 33.12 1hia s GLN 81 CO 0.45 -0.20 0.18 0.12 -2.12 0.00 0.00 175.29 173.72 1hia s PHE 82 N 1.39 3.54 -0.12 0.91 5.36 -1.26 -0.61 117.98 127.19 1hia s PHE 82 Ca -0.05 0.34 -0.20 0.00 -0.96 0.00 0.00 56.93 56.07 1hia s PHE 82 Cb -0.13 -1.82 0.05 0.00 -0.34 0.00 0.00 43.02 40.78 1hia s PHE 82 CO -0.03 0.64 0.50 -0.06 -1.46 0.00 0.00 175.22 174.81 1hia s PHE 83 N -1.34 -0.49 0.41 10.12 0.08 -0.79 -5.01 117.98 120.97 1hia s PHE 83 Ca 0.28 1.05 0.06 0.00 0.12 0.00 0.00 56.93 58.44 1hia s PHE 83 Cb -0.13 0.21 0.01 0.00 -0.57 0.00 0.00 43.02 42.54 1hia s PHE 83 CO 0.19 -0.37 0.57 0.20 -0.10 0.00 0.00 175.22 175.72 1hia s GLY 84 N -0.43 1.81 -0.18 4.36 0.00 -1.26 -1.22 107.32 110.40 1hia s GLY 84 Ca -0.06 -1.53 -0.02 0.00 0.00 0.00 0.00 44.72 43.12 1hia s GLY 84 CO 0.04 -1.36 -0.11 0.14 0.00 0.00 0.00 173.10 171.80 1hia s VAL 85 N -2.37 2.97 -0.20 1.40 1.01 -1.26 -4.90 120.40 117.06 1hia s VAL 85 Ca 0.52 -0.65 0.19 0.00 0.00 0.00 0.00 61.98 62.04 1hia s VAL 85 Cb -0.10 -2.30 0.01 0.00 0.00 0.00 0.00 36.38 33.99 1hia s VAL 85 CO 0.33 0.48 1.14 0.71 0.00 0.00 0.00 175.10 177.76 1hia h THR 86 N 5.67 0.40 -1.99 3.92 1.35 -1.99 -3.47 112.91 116.81 1hia h THR 86 Ca -0.37 -1.67 -0.03 0.00 -0.55 0.00 0.00 66.41 63.78 1hia h THR 86 Cb 1.17 1.99 -0.21 0.00 -1.73 0.00 0.00 68.15 69.37 1hia h THR 86 CO 0.60 0.23 0.13 0.00 -0.25 0.00 0.00 175.52 176.23 1hia s ALA 87 N -3.08 -1.79 -0.02 6.62 0.00 -1.26 -5.16 121.76 117.07 1hia s ALA 87 Ca 0.01 2.06 0.05 0.00 0.00 0.00 0.00 51.96 54.08 1hia s ALA 87 Cb 0.08 -1.21 -0.03 0.00 0.00 0.00 0.00 23.12 21.97 1hia s ALA 87 CO 0.77 -0.34 -0.18 0.16 0.00 0.00 0.00 175.76 176.17 1hia s ASP 88 N 0.47 3.75 -0.49 0.00 1.47 -1.26 -5.10 116.67 115.51 1hia s ASP 88 Ca -0.01 -0.31 0.04 0.00 1.18 0.00 0.00 52.55 53.45 1hia s ASP 88 Cb -0.05 -0.68 0.16 0.00 -0.34 0.00 0.00 42.92 42.01 1hia s ASP 88 CO -0.01 0.32 0.35 -0.36 0.68 0.00 0.00 175.17 176.15 1hia s PHE 89 N -0.74 1.89 0.31 2.11 0.40 -1.26 -5.12 117.98 115.57 1hia s PHE 89 Ca 0.12 -2.56 -0.28 0.00 -0.60 0.00 0.00 56.93 53.61 1hia s PHE 89 Cb -0.10 -1.58 -0.09 0.00 0.51 0.00 0.00 43.02 41.75 1hia s PHE 89 CO 0.01 -0.74 1.10 -1.25 0.70 0.00 0.00 175.22 175.04 1hia s PRO 90 N -0.20 4.50 0.14 0.24 0.04 -1.26 -4.95 135.00 133.50 1hia s PRO 90 Ca 0.27 1.77 -0.33 0.00 0.04 0.00 0.00 61.00 62.75 1hia s PRO 90 Cb -0.06 -3.03 -0.12 0.00 0.04 0.00 0.00 34.50 31.33 1hia s PRO 90 CO -0.13 0.09 1.73 1.58 0.04 0.00 0.00 177.00 180.31 1hia n HIS 91 N 0.86 2.53 0.30 0.56 -0.00 -1.26 -4.83 115.22 113.38 1hia n HIS 91 Ca 0.00 0.05 0.15 0.00 0.46 0.00 0.00 57.72 58.38 1hia n HIS 91 Cb 0.46 -2.65 0.75 0.00 -0.12 0.00 0.00 29.99 28.43 1hia n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1hia h PRO 92 N 7.30 0.00 0.00 1.57 0.13 -2.05 0.15 132.00 139.09 1hia h PRO 92 Ca -0.45 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.53 1hia h PRO 92 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1hia h PRO 92 CO 0.93 0.00 -0.93 0.78 -0.23 0.00 0.00 178.00 178.55 1hia h GLY 93 N 0.00 0.00 -4.53 1.56 0.00 -2.04 -3.46 103.07 94.61 1hia h GLY 93 Ca 0.03 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.83 1hia h GLY 93 CO -0.00 0.00 0.98 0.33 0.00 0.00 0.00 176.54 177.85 1hia n PHE 94 N -3.13 2.82 -3.33 5.60 7.35 0.51 -4.97 117.46 122.31 1hia n PHE 94 Ca -0.03 0.11 -0.00 0.00 -0.76 0.00 0.00 57.45 56.76 1hia n PHE 94 Cb 0.82 -2.65 -0.04 0.00 0.35 0.00 0.00 39.48 37.96 1hia n PHE 94 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1hia s ASN 95 N 0.94 -0.95 0.00 -2.13 2.47 -1.26 -4.99 114.94 109.02 1hia s ASN 95 Ca 0.71 0.91 -0.25 0.00 0.42 0.00 0.00 52.86 54.65 1hia s ASN 95 Cb -0.49 1.94 -0.14 0.00 -1.45 0.00 0.00 41.25 41.11 1hia s ASN 95 CO 0.38 -0.26 1.03 -0.07 -3.72 0.00 0.00 177.10 174.46 1hia h LEU 95 N 8.05 -0.75 0.00 3.21 3.38 -2.02 -3.55 115.31 123.62 1hia h LEU 95 Ca -0.21 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1hia h LEU 95 Cb 1.14 0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1hia h LEU 95 CO 0.22 -0.37 0.00 -1.54 0.09 0.00 0.00 178.44 176.84