#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 0.49 -0.96 1.43 0.00 -1.26 -4.92 115.29 110.06 1hae s HIS 2 Ca 0.00 -0.90 -0.18 0.00 -3.00 0.00 0.00 55.06 50.98 1hae s HIS 2 Cb 0.00 0.31 0.14 0.00 -4.00 0.00 0.00 32.58 29.03 1hae s HIS 2 CO 0.00 -1.21 1.16 -0.51 -1.00 0.00 0.00 174.74 173.17 1hae s LEU 3 N -3.10 5.11 0.10 5.38 1.43 -1.26 -2.26 118.68 124.07 1hae s LEU 3 Ca 0.22 -2.19 -0.15 0.00 -1.03 0.00 0.00 54.13 50.98 1hae s LEU 3 Cb -0.02 -2.39 -0.07 0.00 0.03 0.00 0.00 46.19 43.74 1hae s LEU 3 CO 0.13 -1.00 0.52 0.54 0.23 0.00 0.00 176.35 176.77 1hae s VAL 4 N 2.45 4.87 0.20 -1.59 0.11 -0.56 -4.74 120.40 121.14 1hae s VAL 4 Ca 0.34 0.90 -0.33 0.00 -2.93 0.00 0.00 61.98 59.96 1hae s VAL 4 Cb -0.05 -3.77 -0.13 0.00 -1.53 0.00 0.00 36.38 30.90 1hae s VAL 4 CO -0.08 0.38 1.57 0.29 -3.33 0.00 0.00 175.10 173.93 1hae n LYS 5 N 1.22 2.28 -1.73 1.54 4.76 -1.26 -0.55 118.16 124.41 1hae n LYS 5 Ca -0.08 0.82 -0.42 0.00 -2.87 0.00 0.00 58.31 55.76 1hae n LYS 5 Cb 0.52 -2.58 -0.02 0.00 -1.84 0.00 0.00 35.03 31.11 1hae n LYS 5 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1hae s ALA 7 N 0.20 1.11 0.49 0.00 0.00 -1.26 -4.29 121.76 118.00 1hae s ALA 7 Ca 0.66 0.18 0.22 0.00 0.00 0.00 0.00 51.96 53.02 1hae s ALA 7 Cb -0.51 -3.30 1.26 0.00 0.00 0.00 0.00 23.12 20.57 1hae s ALA 7 CO 0.46 -2.79 1.95 1.05 0.00 0.00 0.00 175.76 176.43 1hae h GLU 8 N -1.87 0.17 -0.22 0.00 9.09 -1.99 0.40 114.58 120.15 1hae h GLU 8 Ca -0.50 -0.01 -0.03 0.00 0.05 0.00 0.00 59.36 58.88 1hae h GLU 8 Cb 1.28 -0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 28.33 1hae h GLU 8 CO 0.49 0.11 0.01 0.87 0.05 0.00 0.00 179.01 180.54 1hae h LYS 9 N 0.17 0.32 -0.01 1.06 1.57 -2.03 -3.26 116.57 114.39 1hae h LYS 9 Ca 0.32 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1hae h LYS 9 Cb 1.01 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1hae h LYS 9 CO -0.05 0.34 -0.22 0.39 -0.57 0.00 0.00 179.45 179.33 1hae n GLU 10 N -4.37 2.51 0.29 3.15 -0.58 0.61 -4.55 120.64 117.69 1hae n GLU 10 Ca 0.00 -0.47 0.15 0.00 -0.42 0.00 0.00 57.16 56.42 1hae n GLU 10 Cb 0.18 -1.02 0.89 0.00 -0.57 0.00 0.00 31.44 30.92 1hae n GLU 10 CO 0.00 0.00 0.00 1.57 -0.48 0.00 0.00 177.13 178.22 1hae h LYS 11 N 0.83 0.00 0.00 3.49 2.10 -0.42 -0.80 116.57 121.77 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 0.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 1hae h LYS 11 CO 0.00 0.00 -0.00 0.25 -2.00 0.00 0.00 179.45 177.70 1hae n THR 12 N -3.90 0.50 -0.25 0.07 -2.24 -1.26 -3.90 114.28 103.30 1hae n THR 12 Ca -0.03 -0.24 0.30 0.00 -2.27 0.00 0.00 64.05 61.81 1hae n THR 12 Cb 0.10 -0.57 0.70 0.00 -2.10 0.00 0.00 70.33 68.46 1hae n THR 12 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1hae h PHE 13 N 0.00 0.10 -3.30 4.78 3.57 -1.43 -3.32 116.94 117.34 1hae h PHE 13 Ca 0.00 0.00 -0.54 0.00 3.53 0.00 0.00 57.97 60.97 1hae h PHE 13 Cb 0.70 -0.03 -0.38 0.00 2.79 0.00 0.00 35.95 39.03 1hae h PHE 13 CO 0.00 0.01 -0.79 0.00 -2.23 0.00 0.00 178.31 175.31 1hae n VAL 15 N 4.92 0.00 -3.83 0.00 0.24 -0.85 -3.87 118.33 114.94 1hae n VAL 15 Ca -0.11 -0.11 -0.26 0.00 -2.04 0.00 0.00 64.34 61.82 1hae n VAL 15 Cb 0.48 -1.47 0.02 0.00 -1.47 0.00 0.00 33.84 31.41 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 -2.51 -0.75 -1.34 3.02 -1.26 -1.18 115.26 108.24 1hae n ASN 16 Ca 0.01 -0.83 -0.10 0.00 -0.03 0.00 0.00 54.58 53.63 1hae n ASN 16 Cb 0.04 -3.82 -0.04 0.00 -0.61 0.00 0.00 39.78 35.35 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 -1.66 1.10 3.68 7.41 0.00 -1.26 -4.57 105.19 109.88 1hae n GLY 17 Ca -0.16 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.72 1.59 -1.03 -0.02 0.00 -0.33 -4.63 107.32 100.18 1hae s GLY 18 Ca 0.00 1.08 -0.23 0.00 0.00 0.00 0.00 44.72 45.57 1hae s GLY 18 CO 0.00 2.90 1.49 -0.54 0.00 0.00 0.00 173.10 176.94 1hae s GLU 19 N 3.09 3.58 -0.00 2.90 0.41 -0.92 -4.74 118.70 123.01 1hae s GLU 19 Ca 0.73 -1.14 -0.30 0.00 -0.41 0.00 0.00 54.97 53.84 1hae s GLU 19 Cb -0.37 -5.36 -0.05 0.00 -1.78 0.00 0.00 34.13 26.58 1hae s GLU 19 CO 0.31 -2.26 1.24 0.00 -0.49 0.00 0.00 175.26 174.06 1hae s PHE 21 N 1.81 1.64 -0.03 0.00 0.08 0.03 -2.06 117.98 119.45 1hae s PHE 21 Ca 0.58 -0.75 0.02 0.00 0.12 0.00 0.00 56.93 56.90 1hae s PHE 21 Cb -0.28 -0.88 0.01 0.00 -0.57 0.00 0.00 43.02 41.30 1hae s PHE 21 CO 0.25 0.16 -0.07 1.41 -0.10 0.00 0.00 175.22 176.88 1hae s MET 22 N -3.75 0.84 -0.20 0.44 -2.45 0.28 -1.13 119.30 113.34 1hae s MET 22 Ca 0.25 -0.21 -0.29 0.00 -1.25 0.00 0.00 55.69 54.19 1hae s MET 22 Cb 0.03 -0.81 0.00 0.00 1.25 0.00 0.00 34.83 35.31 1hae s MET 22 CO 0.07 0.04 1.03 0.08 1.05 0.00 0.00 175.02 177.29 1hae s VAL 23 N 0.43 4.71 -1.57 10.11 1.01 -0.67 -1.50 120.40 132.92 1hae s VAL 23 Ca -0.06 2.03 -0.09 0.00 0.00 0.00 0.00 61.98 63.85 1hae s VAL 23 Cb -0.10 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 31.92 1hae s VAL 23 CO 0.00 -0.13 2.83 0.29 0.00 0.00 0.00 175.10 178.10 1hae n LYS 24 N 5.96 3.81 -3.87 2.72 4.76 -0.96 -4.52 118.16 126.06 1hae n LYS 24 Ca 0.11 -2.43 -0.36 0.00 -2.87 0.00 0.00 58.31 52.76 1hae n LYS 24 Cb 0.47 -2.80 -0.12 0.00 -1.84 0.00 0.00 35.03 30.74 1hae n LYS 24 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1hae s ASP 25 N 1.92 5.25 -1.44 4.39 2.15 -1.26 -1.33 116.67 126.35 1hae s ASP 25 Ca 0.66 -0.13 -0.08 0.00 0.43 0.00 0.00 52.55 53.43 1hae s ASP 25 Cb 0.18 -1.93 -0.00 0.00 -0.30 0.00 0.00 42.92 40.87 1hae s ASP 25 CO -0.07 0.03 2.73 -0.11 -0.17 0.00 0.00 175.17 177.58 1hae n LEU 26 N 4.50 8.36 0.11 -1.34 7.94 -1.26 -3.57 117.00 131.74 1hae n LEU 26 Ca -0.16 -4.56 0.00 0.00 -1.11 0.00 0.00 56.01 50.17 1hae n LEU 26 Cb 0.52 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 43.00 1hae n LEU 26 CO 0.32 2.06 0.00 -0.24 -1.11 0.00 0.00 177.39 178.42 1hae n SER 27 N 2.71 -1.39 -4.78 1.96 2.88 -1.26 -5.12 113.62 108.62 1hae n SER 27 Ca 0.71 0.42 -0.33 0.00 -1.33 0.00 0.00 58.87 58.34 1hae n SER 27 Cb 0.26 1.47 0.04 0.00 -0.75 0.00 0.00 64.21 65.22 1hae n SER 27 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1hae s ASN 28 N -3.37 5.34 0.32 -3.46 0.01 -1.23 -4.96 114.94 107.58 1hae s ASN 28 Ca 0.00 1.91 0.02 0.00 -0.71 0.00 0.00 52.86 54.09 1hae s ASN 28 Cb 0.00 -2.54 0.54 0.00 0.41 0.00 0.00 41.25 39.66 1hae s ASN 28 CO 0.00 -1.47 1.87 1.55 -1.51 0.00 0.00 177.10 177.54 1hae h PRO 29 N 0.11 0.66 0.00 -0.60 0.13 -1.97 -3.44 132.00 126.88 1hae h PRO 29 Ca -0.47 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1hae h PRO 29 Cb 1.24 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1hae h PRO 29 CO 0.55 0.62 0.00 0.43 -0.23 0.00 0.00 178.00 179.37 1hae n SER 30 N -4.30 0.00 -4.77 1.44 7.64 -1.26 -5.08 113.62 107.29 1hae n SER 30 Ca 0.03 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.51 1hae n SER 30 Cb 0.22 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.39 1hae n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hae s ARG 31 N 0.00 4.36 0.19 1.43 1.70 -1.26 -4.88 118.95 120.48 1hae s ARG 31 Ca 0.00 1.93 0.06 0.00 -0.47 0.00 0.00 55.73 57.24 1hae s ARG 31 Cb 0.00 -2.97 -0.04 0.00 -0.57 0.00 0.00 34.95 31.37 1hae s ARG 31 CO 0.00 -0.08 0.15 0.71 -1.08 0.00 0.00 175.30 175.00 1hae s TYR 32 N -1.25 3.14 -0.13 5.89 2.02 -1.26 -1.68 117.35 124.08 1hae s TYR 32 Ca 0.50 -0.04 -0.04 0.00 -0.37 0.00 0.00 57.07 57.12 1hae s TYR 32 Cb -0.34 -1.48 0.06 0.00 -0.40 0.00 0.00 41.96 39.80 1hae s TYR 32 CO 0.43 0.52 0.14 -1.17 -1.57 0.00 0.00 175.55 173.90 1hae s LEU 33 N -3.30 0.08 -0.25 -1.29 0.20 -0.28 -4.94 118.68 108.90 1hae s LEU 33 Ca 0.31 -0.11 -0.04 0.00 0.69 0.00 0.00 54.13 54.98 1hae s LEU 33 Cb -0.09 0.08 0.00 0.00 -0.43 0.00 0.00 46.19 45.75 1hae s LEU 33 CO 0.24 -0.30 -0.01 0.00 -0.29 0.00 0.00 176.35 176.00 1hae n LYS 35 N 4.79 3.24 -1.85 0.00 5.02 -0.11 -4.85 118.16 124.40 1hae n LYS 35 Ca -0.17 -3.42 -0.33 0.00 -2.02 0.00 0.00 58.31 52.38 1hae n LYS 35 Cb 0.49 -3.38 0.03 0.00 -0.02 0.00 0.00 35.03 32.15 1hae n LYS 35 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hae s GLN 37 N -4.20 3.65 -0.48 0.00 -1.52 -1.26 -4.89 119.66 110.96 1hae s GLN 37 Ca 0.64 1.61 -0.27 0.00 -1.95 0.00 0.00 55.36 55.40 1hae s GLN 37 Cb -0.18 -2.21 -0.04 0.00 -0.22 0.00 0.00 33.01 30.37 1hae s GLN 37 CO 0.41 -0.61 2.04 -1.25 -0.25 0.00 0.00 175.29 175.64 1hae s PRO 38 N -3.00 2.66 0.00 2.91 0.04 -1.26 -3.02 135.00 133.34 1hae s PRO 38 Ca 0.67 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.86 1hae s PRO 38 Cb -0.24 -4.41 0.00 0.00 0.04 0.00 0.00 34.50 29.89 1hae s PRO 38 CO 0.28 -2.66 0.00 0.41 0.04 0.00 0.00 177.00 175.08 1hae n GLY 39 N 5.74 0.86 3.03 0.56 0.00 -1.26 -4.99 105.19 109.13 1hae n GLY 39 Ca 0.27 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.55 0.10 0.30 1.61 0.08 -1.17 -1.18 117.98 116.18 1hae s PHE 40 Ca 0.00 -0.22 -0.02 0.00 0.12 0.00 0.00 56.93 56.80 1hae s PHE 40 Cb 0.00 -0.09 -0.01 0.00 -0.57 0.00 0.00 43.02 42.35 1hae s PHE 40 CO 0.00 -0.21 0.39 -0.08 -0.10 0.00 0.00 175.22 175.21 1hae s THR 41 N -1.18 0.00 0.00 0.64 -1.32 -0.08 -4.90 115.64 108.81 1hae s THR 41 Ca -0.13 -1.70 0.00 0.00 -1.21 0.00 0.00 61.69 58.65 1hae s THR 41 Cb -0.07 -2.53 0.00 0.00 -1.51 0.00 0.00 72.50 68.39 1hae s THR 41 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 1hae n GLY 42 N -0.50 1.16 0.28 6.08 0.00 -1.26 -1.79 105.19 109.16 1hae n GLY 42 Ca 0.02 -1.81 0.06 0.00 0.00 0.00 0.00 46.02 44.29 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 1.10 -0.44 4.61 0.00 -2.01 -1.39 119.26 121.13 1hae h ALA 43 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1hae h ALA 43 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1hae h ALA 43 CO 0.00 -0.24 0.00 0.54 0.00 0.00 0.00 179.25 179.55 1hae n ARG 44 N -5.03 3.47 -3.74 0.00 1.74 -1.26 -4.96 116.66 106.88 1hae n ARG 44 Ca 0.15 -2.76 -0.24 0.00 -0.77 0.00 0.00 57.85 54.23 1hae n ARG 44 Cb 0.45 -1.82 0.04 0.00 -1.02 0.00 0.00 32.46 30.11 1hae n ARG 44 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1hae n THR 46 N -4.42 1.70 -2.95 0.00 -2.24 -1.09 -4.47 114.28 100.81 1hae n THR 46 Ca -0.19 -0.72 -0.43 0.00 -2.27 0.00 0.00 64.05 60.44 1hae n THR 46 Cb 0.63 -1.40 -0.05 0.00 -2.10 0.00 0.00 70.33 67.41 1hae n THR 46 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1hae s GLU 47 N -2.58 3.31 0.34 -0.78 2.02 -0.74 -4.95 118.70 115.33 1hae s GLU 47 Ca -0.14 -0.33 -0.28 0.00 0.02 0.00 0.00 54.97 54.24 1hae s GLU 47 Cb 0.07 -4.02 -0.10 0.00 0.10 0.00 0.00 34.13 30.18 1hae s GLU 47 CO 0.80 -1.29 1.32 0.54 0.02 0.00 0.00 175.26 176.65 1hae s ASN 48 N 2.53 6.68 0.15 -0.19 2.20 -1.26 -0.90 114.94 124.15 1hae s ASN 48 Ca 0.27 2.72 -0.14 0.00 -0.94 0.00 0.00 52.86 54.77 1hae s ASN 48 Cb -0.14 -2.65 0.02 0.00 -2.00 0.00 0.00 41.25 36.48 1hae s ASN 48 CO 0.19 -0.60 0.38 0.68 -2.94 0.00 0.00 177.10 174.81 1hae s VAL 49 N -1.15 0.06 0.25 3.54 -7.23 -0.33 -4.90 120.40 110.64 1hae s VAL 49 Ca 0.50 -0.95 0.01 0.00 -1.81 0.00 0.00 61.98 59.73 1hae s VAL 49 Cb -0.40 -1.51 0.02 0.00 0.56 0.00 0.00 36.38 35.05 1hae s VAL 49 CO 0.53 -0.29 1.64 -0.65 -0.31 0.00 0.00 175.10 176.02 1hae h PRO 50 N 2.41 0.50 0.00 4.82 0.11 -1.88 -3.38 132.00 134.58 1hae h PRO 50 Ca -0.32 -0.23 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1hae h PRO 50 Cb 1.24 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1hae h PRO 50 CO 0.45 0.79 0.00 -0.12 -0.21 0.00 0.00 178.00 178.91 1hae n MET 51 N -4.05 0.00 0.04 1.05 1.56 -1.26 -3.45 117.12 111.01 1hae n MET 51 Ca -0.01 0.00 -0.10 0.00 -0.27 0.00 0.00 57.70 57.32 1hae n MET 51 Cb 0.48 0.00 -0.13 0.00 2.15 0.00 0.00 33.22 35.72 1hae n MET 51 CO 0.00 0.00 0.00 1.57 -0.73 0.00 0.00 175.97 176.81 1hae h LYS 52 N 0.00 0.06 -2.80 2.12 2.10 -1.96 -3.35 116.57 112.74 1hae h LYS 52 Ca 0.00 -0.10 -0.61 0.00 -2.00 0.00 0.00 60.65 57.93 1hae h LYS 52 Cb 0.00 0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.36 1hae h LYS 52 CO 0.00 0.90 3.07 0.28 -2.00 0.00 0.00 179.45 181.71 1hae n VAL 53 N -3.30 4.26 0.00 0.07 0.31 -1.22 -3.06 118.33 115.38 1hae n VAL 53 Ca -0.08 -2.67 0.00 0.00 -0.01 0.00 0.00 64.34 61.58 1hae n VAL 53 Cb 0.99 -2.45 0.00 0.00 -0.91 0.00 0.00 33.84 31.47 1hae n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1hae n GLN 54 N 3.15 2.42 -2.69 5.55 1.13 -1.26 -4.82 117.38 120.87 1hae n GLN 54 Ca 0.72 0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 55.73 1hae n GLN 54 Cb 0.33 -0.73 0.12 0.00 0.11 0.00 0.00 30.24 30.07 1hae n GLN 54 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1hae n ASN 55 N -0.99 -1.73 0.04 1.08 6.94 -1.17 -2.45 115.26 116.98 1hae n ASN 55 Ca 0.00 -2.37 -0.02 0.00 -0.02 0.00 0.00 54.58 52.17 1hae n ASN 55 Cb 0.14 0.89 -0.01 0.00 -2.36 0.00 0.00 39.78 38.43 1hae n ASN 55 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 1hae h GLN 56 N 1.62 -0.15 0.00 -3.83 4.20 -1.92 -3.46 115.11 111.57 1hae h GLN 56 Ca -0.34 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.38 1hae h GLN 56 Cb 1.30 0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.11 1hae h GLN 56 CO -0.11 -0.10 0.00 -0.85 -0.67 0.00 0.00 178.83 177.09 1hae n GLU 57 N -3.69 0.00 0.05 1.46 0.28 -1.26 -4.93 120.64 112.55 1hae n GLU 57 Ca -0.02 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.03 1hae n GLU 57 Cb 0.06 0.00 0.22 0.00 1.43 0.00 0.00 31.44 33.16 1hae n GLU 57 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1hae n LYS 58 N 0.00 0.05 -0.34 3.44 5.02 -1.26 -3.08 118.16 121.99 1hae n LYS 58 Ca 0.00 0.50 0.22 0.00 -2.02 0.00 0.00 58.31 57.01 1hae n LYS 58 Cb 0.00 -1.64 0.48 0.00 -0.02 0.00 0.00 35.03 33.85 1hae n LYS 58 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hae h ALA 59 N 2.08 2.12 -0.22 7.82 0.00 -1.92 -0.39 119.26 128.75 1hae h ALA 59 Ca 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1hae h ALA 59 Cb 0.06 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1hae h ALA 59 CO 0.00 -0.58 0.09 1.05 0.00 0.00 0.00 179.25 179.82 1hae h GLU 60 N 0.42 0.30 -0.54 0.00 4.11 -1.41 0.15 114.58 117.62 1hae h GLU 60 Ca 0.64 -0.03 -0.09 0.00 0.07 0.00 0.00 59.36 59.95 1hae h GLU 60 Cb 1.51 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.68 1hae h GLU 60 CO -0.38 0.26 -0.02 0.93 0.07 0.00 0.00 179.01 179.86 1hae h GLU 61 N 0.31 0.95 0.00 1.06 5.08 -1.33 -2.78 114.58 117.87 1hae h GLU 61 Ca 0.08 -0.29 -0.14 0.00 -1.00 0.00 0.00 59.36 58.01 1hae h GLU 61 Cb 0.06 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1hae h GLU 61 CO -0.01 0.95 -0.67 -0.07 -1.00 0.00 0.00 179.01 178.21 1hae h LEU 62 N 0.87 0.00 -0.22 1.33 3.38 -1.24 -3.54 115.31 115.89 1hae h LEU 62 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1hae h LEU 62 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1hae h LEU 62 CO 0.03 0.67 0.00 -1.22 0.09 0.00 0.00 178.44 178.01