#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hae s HIS 2 N 0.00 3.54 -0.82 7.33 5.65 -0.45 -4.69 115.29 125.84 1hae s HIS 2 Ca 0.00 1.30 -0.20 0.00 0.25 0.00 0.00 55.06 56.41 1hae s HIS 2 Cb 0.00 -2.91 0.11 0.00 -1.18 0.00 0.00 32.58 28.61 1hae s HIS 2 CO 0.00 -0.03 1.03 -0.51 -0.65 0.00 0.00 174.74 174.59 1hae s LEU 3 N 1.25 4.90 -0.13 8.88 2.01 -1.26 -0.98 118.68 133.35 1hae s LEU 3 Ca 0.39 -1.68 -0.12 0.00 0.01 0.00 0.00 54.13 52.74 1hae s LEU 3 Cb -0.18 -2.39 -0.05 0.00 0.01 0.00 0.00 46.19 43.58 1hae s LEU 3 CO 0.18 -1.18 0.25 0.54 1.01 0.00 0.00 176.35 177.15 1hae s VAL 4 N 3.07 5.32 0.29 -1.59 0.11 -0.91 -4.78 120.40 121.91 1hae s VAL 4 Ca 0.27 0.46 -0.30 0.00 -2.93 0.00 0.00 61.98 59.49 1hae s VAL 4 Cb -0.10 -3.57 -0.10 0.00 -1.53 0.00 0.00 36.38 31.07 1hae s VAL 4 CO -0.02 0.47 1.45 -0.75 -3.33 0.00 0.00 175.10 172.92 1hae s LYS 5 N -0.10 4.24 0.35 1.54 2.20 -1.26 -0.53 119.74 126.18 1hae s LYS 5 Ca 0.16 2.37 -0.28 0.00 -0.36 0.00 0.00 55.97 57.85 1hae s LYS 5 Cb -0.13 -3.07 -0.11 0.00 -1.51 0.00 0.00 37.83 33.01 1hae s LYS 5 CO 0.04 -0.43 1.42 0.00 -0.36 0.00 0.00 175.35 176.03 1hae s ALA 7 N -1.02 1.45 0.50 0.00 0.00 -1.26 -4.40 121.76 117.03 1hae s ALA 7 Ca 0.52 0.26 0.19 0.00 0.00 0.00 0.00 51.96 52.93 1hae s ALA 7 Cb -0.44 -3.31 1.25 0.00 0.00 0.00 0.00 23.12 20.62 1hae s ALA 7 CO 0.58 -2.54 2.05 1.05 0.00 0.00 0.00 175.76 176.90 1hae h GLU 8 N -1.69 0.11 -0.11 0.00 4.11 -1.99 0.46 114.58 115.47 1hae h GLU 8 Ca -0.47 -0.01 -0.04 0.00 0.07 0.00 0.00 59.36 58.91 1hae h GLU 8 Cb 1.27 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1hae h GLU 8 CO 0.48 0.07 -0.14 0.87 0.07 0.00 0.00 179.01 180.37 1hae h LYS 9 N 0.11 0.17 0.00 1.06 1.57 -2.04 -3.24 116.57 114.20 1hae h LYS 9 Ca 0.17 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1hae h LYS 9 Cb 0.53 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1hae h LYS 9 CO -0.02 0.31 -1.44 0.39 -0.57 0.00 0.00 179.45 178.12 1hae n GLU 10 N -4.30 0.88 0.30 3.15 1.02 0.51 -4.51 120.64 117.70 1hae n GLU 10 Ca -0.01 -0.10 0.17 0.00 -0.02 0.00 0.00 57.16 57.20 1hae n GLU 10 Cb 0.25 -1.35 0.95 0.00 -0.02 0.00 0.00 31.44 31.27 1hae n GLU 10 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 1hae h LYS 11 N 0.00 0.00 0.00 3.49 2.10 -0.27 -0.58 116.57 121.30 1hae h LYS 11 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1hae h LYS 11 Cb 0.64 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.97 1hae h LYS 11 CO 0.00 0.03 0.00 1.79 -2.00 0.00 0.00 179.45 179.27 1hae h THR 12 N 0.00 0.00 -0.82 0.07 1.35 -1.79 -3.22 112.91 108.50 1hae h THR 12 Ca -0.00 -0.49 0.24 0.00 -0.55 0.00 0.00 66.41 65.61 1hae h THR 12 Cb 0.13 1.44 -0.03 0.00 -1.73 0.00 0.00 68.15 67.96 1hae h THR 12 CO 0.00 0.00 0.69 0.15 -0.25 0.00 0.00 175.52 176.11 1hae h PHE 13 N 0.00 0.00 -3.27 4.73 3.57 -1.40 -3.32 116.94 117.24 1hae h PHE 13 Ca 0.00 0.00 -0.50 0.00 3.53 0.00 0.00 57.97 61.00 1hae h PHE 13 Cb 0.51 0.00 -0.38 0.00 2.79 0.00 0.00 35.95 38.87 1hae h PHE 13 CO 0.00 0.00 -0.78 0.00 -2.23 0.00 0.00 178.31 175.30 1hae n VAL 15 N 5.02 0.00 -3.83 0.00 0.24 -0.84 -3.64 118.33 115.28 1hae n VAL 15 Ca -0.10 -0.30 -0.25 0.00 -2.04 0.00 0.00 64.34 61.65 1hae n VAL 15 Cb 0.49 -1.36 0.02 0.00 -1.47 0.00 0.00 33.84 31.51 1hae n VAL 15 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1hae n ASN 16 N -3.01 -2.25 -0.87 -1.34 3.02 -1.26 -1.05 115.26 108.50 1hae n ASN 16 Ca 0.03 -0.85 -0.11 0.00 -0.03 0.00 0.00 54.58 53.62 1hae n ASN 16 Cb 0.12 -3.78 -0.05 0.00 -0.61 0.00 0.00 39.78 35.46 1hae n ASN 16 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hae n GLY 17 N -1.67 1.24 3.66 7.41 0.00 -1.26 -4.54 105.19 110.02 1hae n GLY 17 Ca -0.18 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 1hae n GLY 17 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hae s GLY 18 N -2.79 1.45 -0.93 -0.02 0.00 -0.22 -4.57 107.32 100.24 1hae s GLY 18 Ca 0.00 1.03 -0.24 0.00 0.00 0.00 0.00 44.72 45.51 1hae s GLY 18 CO 0.00 3.21 1.41 -0.54 0.00 0.00 0.00 173.10 177.18 1hae s GLU 19 N 4.32 3.45 0.06 2.90 2.02 -0.91 -4.70 118.70 125.83 1hae s GLU 19 Ca 0.79 -0.83 -0.30 0.00 0.02 0.00 0.00 54.97 54.65 1hae s GLU 19 Cb -0.36 -4.99 -0.05 0.00 0.10 0.00 0.00 34.13 28.83 1hae s GLU 19 CO 0.34 -2.21 1.13 0.00 0.02 0.00 0.00 175.26 174.54 1hae s PHE 21 N 0.90 1.53 -0.14 0.00 0.40 -0.14 -1.51 117.98 119.02 1hae s PHE 21 Ca 0.56 -0.90 0.00 0.00 -0.60 0.00 0.00 56.93 55.99 1hae s PHE 21 Cb -0.27 -0.88 0.02 0.00 0.51 0.00 0.00 43.02 42.40 1hae s PHE 21 CO 0.29 -0.02 -0.14 -1.64 0.70 0.00 0.00 175.22 174.42 1hae s MET 22 N -3.85 2.20 -0.48 0.44 -1.94 0.31 -1.40 119.30 114.57 1hae s MET 22 Ca 0.27 -0.52 -0.28 0.00 -1.71 0.00 0.00 55.69 53.45 1hae s MET 22 Cb 0.05 -2.02 -0.00 0.00 2.01 0.00 0.00 34.83 34.88 1hae s MET 22 CO 0.08 -0.22 1.58 0.08 -0.01 0.00 0.00 175.02 176.53 1hae s VAL 23 N 1.45 3.67 -0.64 -6.03 1.01 0.01 -2.14 120.40 117.72 1hae s VAL 23 Ca 0.03 0.61 -0.12 0.00 0.00 0.00 0.00 61.98 62.50 1hae s VAL 23 Cb -0.13 -4.12 0.16 0.00 0.00 0.00 0.00 36.38 32.30 1hae s VAL 23 CO -0.09 -0.85 0.55 -0.54 0.00 0.00 0.00 175.10 174.17 1hae s LYS 24 N 5.67 3.04 0.20 2.72 -0.14 -0.15 -4.10 119.74 126.98 1hae s LYS 24 Ca 0.63 -2.09 0.09 0.00 -1.36 0.00 0.00 55.97 53.25 1hae s LYS 24 Cb -0.14 -4.19 -0.04 0.00 -1.68 0.00 0.00 37.83 31.77 1hae s LYS 24 CO 0.28 -1.27 -0.18 0.34 -0.76 0.00 0.00 175.35 173.76 1hae s ASP 25 N 2.52 2.95 -1.19 2.83 2.15 -1.26 -1.33 116.67 123.34 1hae s ASP 25 Ca 0.11 -0.94 -0.09 0.00 0.43 0.00 0.00 52.55 52.06 1hae s ASP 25 Cb -0.21 -0.19 -0.14 0.00 -0.30 0.00 0.00 42.92 42.08 1hae s ASP 25 CO -0.03 -0.03 3.15 -0.11 -0.17 0.00 0.00 175.17 177.98 1hae n LEU 26 N -0.06 7.81 0.12 -1.34 7.94 -1.26 -3.37 117.00 126.84 1hae n LEU 26 Ca -0.10 -4.04 0.00 0.00 -1.11 0.00 0.00 56.01 50.76 1hae n LEU 26 Cb 0.58 -1.52 0.00 0.00 0.53 0.00 0.00 43.42 43.01 1hae n LEU 26 CO 0.32 1.97 0.00 -0.24 -1.11 0.00 0.00 177.39 178.34 1hae n SER 27 N 3.29 -1.50 -4.71 1.96 2.88 -1.26 -5.14 113.62 109.14 1hae n SER 27 Ca 0.69 0.44 -0.32 0.00 -1.33 0.00 0.00 58.87 58.35 1hae n SER 27 Cb 0.42 1.57 -0.08 0.00 -0.75 0.00 0.00 64.21 65.37 1hae n SER 27 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1hae s ASN 28 N -3.31 5.21 -0.03 -3.46 6.03 -1.22 -5.08 114.94 113.09 1hae s ASN 28 Ca 0.00 -0.03 -0.07 0.00 -1.03 0.00 0.00 52.86 51.73 1hae s ASN 28 Cb 0.00 -1.36 -0.04 0.00 -3.03 0.00 0.00 41.25 36.82 1hae s ASN 28 CO 0.00 0.24 0.44 1.55 -2.03 0.00 0.00 177.10 177.30 1hae h PRO 29 N 3.97 -0.24 -0.77 3.55 0.13 -1.87 -3.38 132.00 133.39 1hae h PRO 29 Ca -0.48 0.02 -0.33 0.00 -0.87 0.00 0.00 66.00 64.33 1hae h PRO 29 Cb 1.17 0.06 -0.27 0.00 0.13 0.00 0.00 31.00 32.09 1hae h PRO 29 CO 0.60 -0.16 -0.79 0.43 -0.23 0.00 0.00 178.00 177.84 1hae n SER 30 N -3.71 -0.59 -4.70 1.44 7.64 -1.26 -4.82 113.62 107.62 1hae n SER 30 Ca -0.03 -3.05 -0.42 0.00 1.01 0.00 0.00 58.87 56.38 1hae n SER 30 Cb 0.10 0.52 -0.03 0.00 -1.01 0.00 0.00 64.21 63.79 1hae n SER 30 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1hae s ARG 31 N -1.19 4.27 0.20 1.43 0.52 -1.26 -4.85 118.95 118.07 1hae s ARG 31 Ca 0.28 2.11 -0.15 0.00 -0.52 0.00 0.00 55.73 57.45 1hae s ARG 31 Cb 0.36 -3.45 -0.07 0.00 0.52 0.00 0.00 34.95 32.31 1hae s ARG 31 CO -0.05 -0.57 0.61 0.71 0.02 0.00 0.00 175.30 176.02 1hae s TYR 32 N 1.98 3.55 -0.11 -0.53 2.02 -1.26 -0.81 117.35 122.19 1hae s TYR 32 Ca 0.67 1.11 -0.03 0.00 -0.37 0.00 0.00 57.07 58.45 1hae s TYR 32 Cb -0.36 -2.42 0.04 0.00 -0.40 0.00 0.00 41.96 38.83 1hae s TYR 32 CO 0.29 0.34 0.06 -1.17 -1.57 0.00 0.00 175.55 173.51 1hae s LEU 33 N -2.24 0.37 -0.24 -1.29 1.98 -0.50 -4.90 118.68 111.88 1hae s LEU 33 Ca 0.42 -0.30 -0.04 0.00 -2.89 0.00 0.00 54.13 51.32 1hae s LEU 33 Cb -0.14 -0.26 -0.01 0.00 0.66 0.00 0.00 46.19 46.45 1hae s LEU 33 CO 0.20 -0.29 -0.01 0.00 -1.89 0.00 0.00 176.35 174.35 1hae s LYS 35 N 1.48 3.91 0.73 0.00 1.02 0.02 -4.87 119.74 122.04 1hae s LYS 35 Ca 0.05 -1.96 -0.11 0.00 0.02 0.00 0.00 55.97 53.97 1hae s LYS 35 Cb -0.15 -5.35 0.03 0.00 -0.52 0.00 0.00 37.83 31.85 1hae s LYS 35 CO -0.02 -2.10 1.07 0.00 -0.92 0.00 0.00 175.35 173.39 1hae s GLN 37 N -4.99 3.38 0.03 0.00 -1.52 -1.26 -4.89 119.66 110.41 1hae s GLN 37 Ca 0.59 1.69 -0.30 0.00 -1.95 0.00 0.00 55.36 55.39 1hae s GLN 37 Cb -0.15 -2.08 -0.07 0.00 -0.22 0.00 0.00 33.01 30.48 1hae s GLN 37 CO 0.55 -0.84 1.68 -1.25 -0.25 0.00 0.00 175.29 175.18 1hae s PRO 38 N -3.16 4.19 0.00 2.91 0.04 -1.26 -3.28 135.00 134.43 1hae s PRO 38 Ca 0.72 2.31 0.00 0.00 0.04 0.00 0.00 61.00 64.07 1hae s PRO 38 Cb -0.26 -3.78 0.00 0.00 0.04 0.00 0.00 34.50 30.50 1hae s PRO 38 CO 0.30 -0.79 0.00 0.41 0.04 0.00 0.00 177.00 176.96 1hae n GLY 39 N 4.09 1.14 3.08 0.56 0.00 -1.26 -5.02 105.19 107.78 1hae n GLY 39 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 1hae n GLY 39 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hae s PHE 40 N -2.00 0.65 0.34 1.61 0.40 -1.21 -1.04 117.98 116.74 1hae s PHE 40 Ca 0.00 -0.68 -0.07 0.00 -0.60 0.00 0.00 56.93 55.58 1hae s PHE 40 Cb 0.00 -0.40 0.02 0.00 0.51 0.00 0.00 43.02 43.15 1hae s PHE 40 CO 0.00 -0.15 0.56 -0.08 0.70 0.00 0.00 175.22 176.25 1hae s THR 41 N -2.29 0.00 0.00 0.64 -1.32 0.19 -4.89 115.64 107.96 1hae s THR 41 Ca -0.03 -1.42 0.00 0.00 -1.21 0.00 0.00 61.69 59.03 1hae s THR 41 Cb -0.04 -2.65 0.00 0.00 -1.51 0.00 0.00 72.50 68.30 1hae s THR 41 CO -0.02 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.00 1hae n GLY 42 N -0.54 1.19 0.30 6.08 0.00 -1.26 -1.75 105.19 109.20 1hae n GLY 42 Ca -0.02 -1.82 0.09 0.00 0.00 0.00 0.00 46.02 44.27 1hae n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hae h ALA 43 N 0.00 1.24 -0.27 4.61 0.00 -2.00 -1.64 119.26 121.20 1hae h ALA 43 Ca 0.00 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1hae h ALA 43 Cb 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1hae h ALA 43 CO 0.00 -0.25 -0.02 0.54 0.00 0.00 0.00 179.25 179.52 1hae n ARG 44 N -5.01 2.40 -3.77 0.00 1.74 -1.26 -4.97 116.66 105.79 1hae n ARG 44 Ca 0.18 -2.93 -0.24 0.00 -0.77 0.00 0.00 57.85 54.09 1hae n ARG 44 Cb 0.52 -1.81 0.03 0.00 -1.02 0.00 0.00 32.46 30.18 1hae n ARG 44 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1hae h THR 46 N -1.92 0.76 -3.49 0.00 1.35 -1.71 -3.40 112.91 104.50 1hae h THR 46 Ca -0.61 -2.38 -0.61 0.00 -0.55 0.00 0.00 66.41 62.26 1hae h THR 46 Cb 1.36 2.57 -0.12 0.00 -1.73 0.00 0.00 68.15 70.24 1hae h THR 46 CO 0.59 0.83 0.21 -1.61 -0.25 0.00 0.00 175.52 175.29 1hae s GLU 47 N -2.54 3.96 0.56 4.72 2.02 -0.72 -4.95 118.70 121.76 1hae s GLU 47 Ca -0.21 0.42 -0.18 0.00 0.02 0.00 0.00 54.97 55.03 1hae s GLU 47 Cb 0.06 -3.71 -0.05 0.00 0.10 0.00 0.00 34.13 30.53 1hae s GLU 47 CO 0.78 -0.56 1.07 0.54 0.02 0.00 0.00 175.26 177.11 1hae s ASN 48 N 1.59 5.84 0.04 -0.19 4.22 -1.26 -0.64 114.94 124.54 1hae s ASN 48 Ca 0.27 1.93 0.03 0.00 -2.14 0.00 0.00 52.86 52.95 1hae s ASN 48 Cb -0.15 -2.55 -0.02 0.00 1.28 0.00 0.00 41.25 39.81 1hae s ASN 48 CO 0.11 -1.13 -0.09 0.68 -2.04 0.00 0.00 177.10 174.63 1hae s VAL 49 N -2.19 0.68 -0.13 3.54 -7.23 -0.21 -4.85 120.40 110.01 1hae s VAL 49 Ca 0.67 -0.94 -0.29 0.00 -1.81 0.00 0.00 61.98 59.60 1hae s VAL 49 Cb -0.18 -0.68 -0.01 0.00 0.56 0.00 0.00 36.38 36.07 1hae s VAL 49 CO 0.31 -0.21 1.05 -2.16 -0.31 0.00 0.00 175.10 173.78 1hae s PRO 50 N -1.27 4.37 -0.22 4.82 0.04 -1.26 -4.68 135.00 136.80 1hae s PRO 50 Ca -0.05 1.43 0.01 0.00 0.04 0.00 0.00 61.00 62.44 1hae s PRO 50 Cb -0.08 -3.57 -0.14 0.00 0.04 0.00 0.00 34.50 30.74 1hae s PRO 50 CO 0.01 -0.42 -0.20 -1.33 0.04 0.00 0.00 177.00 175.10 1hae n MET 51 N 5.39 0.54 -0.07 4.56 2.81 -1.26 -4.63 117.12 124.45 1hae n MET 51 Ca 0.10 0.13 -0.20 0.00 -1.81 0.00 0.00 57.70 55.92 1hae n MET 51 Cb 0.48 -1.43 -0.13 0.00 -0.71 0.00 0.00 33.22 31.43 1hae n MET 51 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1hae n LYS 52 N -3.17 0.70 -1.31 0.03 -0.00 -1.26 -4.17 118.16 108.97 1hae n LYS 52 Ca -0.38 0.20 -0.21 0.00 -0.00 0.00 0.00 58.31 57.91 1hae n LYS 52 Cb 0.90 -1.60 -0.10 0.00 -0.00 0.00 0.00 35.03 34.23 1hae n LYS 52 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 1hae n VAL 53 N -3.38 3.20 0.05 0.58 3.14 -1.26 -3.42 118.33 117.25 1hae n VAL 53 Ca -0.40 -2.44 0.00 0.00 -2.96 0.00 0.00 64.34 58.54 1hae n VAL 53 Cb 1.01 -1.74 0.00 0.00 -1.06 0.00 0.00 33.84 32.05 1hae n VAL 53 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 1hae n GLN 54 N 1.47 0.00 0.28 1.45 -0.06 -1.26 -4.76 117.38 114.49 1hae n GLN 54 Ca 0.47 0.00 0.17 0.00 -2.00 0.00 0.00 57.00 55.64 1hae n GLN 54 Cb 0.69 -0.09 0.73 0.00 -4.06 0.00 0.00 30.24 27.51 1hae n GLN 54 CO 0.00 0.00 0.00 -2.95 -0.20 0.00 0.00 177.06 173.91 1hae h ASN 55 N 0.00 0.00 0.00 1.69 -1.07 -1.72 -3.33 115.58 111.15 1hae h ASN 55 Ca 0.00 0.00 -0.69 0.00 0.07 0.00 0.00 56.30 55.68 1hae h ASN 55 Cb 0.10 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.34 1hae h ASN 55 CO 0.00 0.03 3.03 0.00 0.07 0.00 0.00 177.43 180.56 1hae n GLN 56 N -3.14 2.64 -0.03 4.14 6.02 -1.23 -4.00 117.38 121.78 1hae n GLN 56 Ca 0.00 -2.38 -0.06 0.00 -0.01 0.00 0.00 57.00 54.55 1hae n GLN 56 Cb 0.29 -3.15 -0.02 0.00 1.02 0.00 0.00 30.24 28.38 1hae n GLN 56 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1hae n GLU 57 N 5.98 0.11 -0.12 -1.09 2.13 -1.24 -4.32 120.64 122.09 1hae n GLU 57 Ca 0.54 0.05 -0.05 0.00 0.66 0.00 0.00 57.16 58.36 1hae n GLU 57 Cb 0.37 -0.70 0.15 0.00 0.27 0.00 0.00 31.44 31.53 1hae n GLU 57 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1hae h LYS 58 N -0.19 0.82 0.18 5.31 1.57 -1.92 -3.00 116.57 119.35 1hae h LYS 58 Ca -0.14 -0.22 0.01 0.00 -1.87 0.00 0.00 60.65 58.43 1hae h LYS 58 Cb 1.12 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.31 1hae h LYS 58 CO -0.08 0.82 -0.23 0.00 -0.57 0.00 0.00 179.45 179.39 1hae h ALA 59 N 1.24 -0.44 -2.42 3.86 0.00 -1.83 -3.46 119.26 116.22 1hae h ALA 59 Ca 0.15 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.06 1hae h ALA 59 Cb 0.46 0.34 -0.15 0.00 0.00 0.00 0.00 17.79 18.44 1hae h ALA 59 CO 0.02 -0.78 0.40 -1.83 0.00 0.00 0.00 179.25 177.06 1hae s GLU 60 N -6.08 0.95 -0.31 0.00 4.04 -1.13 -5.12 118.70 111.04 1hae s GLU 60 Ca -0.15 -0.28 -0.24 0.00 0.04 0.00 0.00 54.97 54.33 1hae s GLU 60 Cb 0.07 0.44 0.00 0.00 0.02 0.00 0.00 34.13 34.66 1hae s GLU 60 CO 0.65 -0.40 0.84 -2.00 -1.84 0.00 0.00 175.26 172.51 1hae s GLU 61 N -3.04 3.97 -1.01 -4.83 2.56 -1.24 -3.68 118.70 111.43 1hae s GLU 61 Ca 0.02 0.66 -0.25 0.00 0.00 0.00 0.00 54.97 55.41 1hae s GLU 61 Cb -0.01 -3.73 -0.12 0.00 2.00 0.00 0.00 34.13 32.26 1hae s GLU 61 CO -0.08 -0.73 2.08 -0.51 -0.56 0.00 0.00 175.26 175.46 1hae s LEU 62 N 3.09 2.86 0.00 2.70 1.43 -1.26 -5.12 118.68 122.37 1hae s LEU 62 Ca 0.35 -0.90 0.28 0.00 -1.03 0.00 0.00 54.13 52.83 1hae s LEU 62 Cb -0.14 -2.58 1.13 0.00 0.03 0.00 0.00 46.19 44.64 1hae s LEU 62 CO 0.13 -3.61 1.79 -1.22 0.23 0.00 0.00 176.35 173.67