#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ha6 n SER 2 N 0.00 0.00 -0.41 0.00 2.88 -1.26 -5.04 113.62 109.79 1ha6 n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ha6 n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ha6 n SER 2 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1ha6 n ASN 3 N 0.00 0.00 -4.58 -3.46 5.15 -1.26 -5.08 115.26 106.03 1ha6 n ASN 3 Ca 0.00 -1.73 -0.41 0.00 -0.60 0.00 0.00 54.58 51.84 1ha6 n ASN 3 Cb 0.00 -0.15 -0.03 0.00 -0.53 0.00 0.00 39.78 39.08 1ha6 n ASN 3 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 1ha6 s TYR 4 N 0.00 1.68 -0.33 1.20 -0.85 -1.26 -4.69 117.35 113.10 1ha6 s TYR 4 Ca 0.00 0.75 0.03 0.00 -0.52 0.00 0.00 57.07 57.33 1ha6 s TYR 4 Cb 0.00 -4.06 0.16 0.00 0.38 0.00 0.00 41.96 38.43 1ha6 s TYR 4 CO 0.00 -2.78 1.16 -3.47 -1.52 0.00 0.00 175.55 168.94 1ha6 n ASP 5 N 11.51 -1.27 0.00 -0.18 2.03 -1.26 -5.07 116.55 122.31 1ha6 n ASP 5 Ca 0.24 -1.84 0.00 0.00 0.52 0.00 0.00 54.79 53.71 1ha6 n ASP 5 Cb 0.49 1.06 0.00 0.00 -0.72 0.00 0.00 41.12 41.95 1ha6 n ASP 5 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ha6 n LEU 8 N 1.34 0.15 0.00 0.00 4.77 -1.26 -4.46 117.00 117.55 1ha6 n LEU 8 Ca 0.08 1.21 0.00 0.00 -0.03 0.00 0.00 56.01 57.27 1ha6 n LEU 8 Cb 0.49 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1ha6 n LEU 8 CO 0.52 -1.30 0.00 -1.54 -1.33 0.00 0.00 177.39 173.75 1ha6 n SER 9 N -4.40 0.00 -4.19 -1.43 3.41 -1.26 -5.17 113.62 100.58 1ha6 n SER 9 Ca 0.38 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.67 1ha6 n SER 9 Cb 1.54 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 65.65 1ha6 n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ha6 n TYR 10 N -0.01 -1.46 -2.13 7.33 9.36 -1.26 -4.55 117.16 124.43 1ha6 n TYR 10 Ca 0.00 0.19 -0.30 0.00 3.32 0.00 0.00 57.90 61.11 1ha6 n TYR 10 Cb 0.00 -1.52 -0.04 0.00 -0.63 0.00 0.00 39.34 37.14 1ha6 n TYR 10 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1ha6 s ILE 11 N -2.19 3.51 0.61 2.97 1.10 -0.92 -4.78 121.20 121.50 1ha6 s ILE 11 Ca 0.52 -0.35 0.30 0.00 -0.51 0.00 0.00 60.65 60.62 1ha6 s ILE 11 Cb -0.08 -4.17 0.36 0.00 0.15 0.00 0.00 42.46 38.72 1ha6 s ILE 11 CO 0.64 -1.10 2.10 1.56 -2.11 0.00 0.00 174.94 176.03 1ha6 h GLN 12 N 11.44 0.00 -2.42 3.50 4.20 -1.92 -3.37 115.11 126.54 1ha6 h GLN 12 Ca 0.07 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.43 1ha6 h GLN 12 Cb 1.02 0.00 -0.35 0.00 0.30 0.00 0.00 27.48 28.45 1ha6 h GLN 12 CO 1.24 0.00 -0.65 0.99 -0.67 0.00 0.00 178.83 179.75 1ha6 s THR 13 N -4.53 -0.32 -0.40 -0.54 2.01 -1.26 -5.12 115.64 105.48 1ha6 s THR 13 Ca -0.05 -0.32 -0.28 0.00 0.31 0.00 0.00 61.69 61.36 1ha6 s THR 13 Cb 0.14 -0.82 -0.03 0.00 0.01 0.00 0.00 72.50 71.80 1ha6 s THR 13 CO 0.51 -0.36 1.97 -2.16 -0.69 0.00 0.00 174.62 173.89 1ha6 s PRO 14 N 2.31 2.96 0.25 4.92 0.04 -1.26 -5.00 135.00 139.22 1ha6 s PRO 14 Ca 0.08 1.34 -0.06 0.00 0.04 0.00 0.00 61.00 62.41 1ha6 s PRO 14 Cb -0.15 -4.33 -0.06 0.00 0.04 0.00 0.00 34.50 30.01 1ha6 s PRO 14 CO -0.22 -2.31 0.51 -0.48 0.04 0.00 0.00 177.00 174.54 1ha6 s LEU 15 N 8.41 4.13 0.67 -3.56 2.34 -1.26 -5.08 118.68 124.34 1ha6 s LEU 15 Ca 0.83 0.71 -0.14 0.00 0.06 0.00 0.00 54.13 55.59 1ha6 s LEU 15 Cb -0.21 -3.50 0.01 0.00 -0.56 0.00 0.00 46.19 41.93 1ha6 s LEU 15 CO 0.30 -0.12 1.10 -2.16 -1.06 0.00 0.00 176.35 174.42 1ha6 s PRO 16 N -3.23 2.76 0.00 1.48 0.04 -1.26 -4.88 135.00 129.91 1ha6 s PRO 16 Ca 0.44 1.35 0.05 0.00 0.04 0.00 0.00 61.00 62.87 1ha6 s PRO 16 Cb -0.11 -1.95 0.20 0.00 0.04 0.00 0.00 34.50 32.68 1ha6 s PRO 16 CO 0.27 -1.27 1.15 -1.13 0.04 0.00 0.00 177.00 176.06 1ha6 n SER 17 N -2.55 0.00 0.00 6.66 3.41 -1.26 -1.35 113.62 118.54 1ha6 n SER 17 Ca 0.10 0.50 0.11 0.00 -0.26 0.00 0.00 58.87 59.32 1ha6 n SER 17 Cb 0.52 -0.50 0.66 0.00 -0.26 0.00 0.00 64.21 64.63 1ha6 n SER 17 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ha6 n ARG 18 N -1.50 0.67 0.00 4.33 1.74 -1.26 -1.90 116.66 118.74 1ha6 n ARG 18 Ca 0.01 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1ha6 n ARG 18 Cb 0.05 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 1ha6 n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ha6 n ALA 19 N -1.03 2.44 -2.55 7.54 0.00 -0.45 -5.02 120.51 121.44 1ha6 n ALA 19 Ca 0.16 -0.55 -0.41 0.00 0.00 0.00 0.00 53.44 52.64 1ha6 n ALA 19 Cb 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.45 1ha6 n ALA 19 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ha6 s ILE 20 N -0.10 5.08 -0.14 0.00 1.09 -0.80 -3.26 121.20 123.07 1ha6 s ILE 20 Ca 0.00 0.18 -0.22 0.00 -1.10 0.00 0.00 60.65 59.51 1ha6 s ILE 20 Cb 0.00 -3.91 -0.25 0.00 -1.06 0.00 0.00 42.46 37.24 1ha6 s ILE 20 CO 0.00 -0.18 0.54 0.58 -0.10 0.00 0.00 174.94 175.78 1ha6 h VAL 21 N 5.59 1.25 -2.46 2.92 2.07 -1.80 -3.48 116.25 120.34 1ha6 h VAL 21 Ca -0.29 -2.33 -0.09 0.00 0.82 0.00 0.00 66.70 64.82 1ha6 h VAL 21 Cb 1.13 2.79 -0.23 0.00 -1.52 0.00 0.00 31.29 33.46 1ha6 h VAL 21 CO 0.74 0.56 -0.11 -0.83 0.02 0.00 0.00 177.57 177.95 1ha6 s GLY 22 N -4.68 -0.40 0.20 2.17 0.00 -0.67 -5.03 107.32 98.91 1ha6 s GLY 22 Ca -0.22 1.53 -0.10 0.00 0.00 0.00 0.00 44.72 45.93 1ha6 s GLY 22 CO 0.70 1.37 0.36 -0.11 0.00 0.00 0.00 173.10 175.41 1ha6 s PHE 23 N 0.43 0.39 0.13 1.90 -0.71 -1.26 0.64 117.98 119.49 1ha6 s PHE 23 Ca -0.01 -0.74 -0.07 0.00 -1.04 0.00 0.00 56.93 55.07 1ha6 s PHE 23 Cb -0.04 0.03 -0.01 0.00 -1.21 0.00 0.00 43.02 41.79 1ha6 s PHE 23 CO -0.01 -0.82 0.19 0.99 -1.34 0.00 0.00 175.22 174.23 1ha6 s THR 24 N -3.99 0.11 0.04 -4.49 2.01 0.15 -4.99 115.64 104.48 1ha6 s THR 24 Ca 0.20 -1.43 -0.13 0.00 0.31 0.00 0.00 61.69 60.63 1ha6 s THR 24 Cb 0.02 -1.69 -0.06 0.00 0.01 0.00 0.00 72.50 70.78 1ha6 s THR 24 CO 0.03 -0.49 0.43 -0.13 -0.69 0.00 0.00 174.62 173.77 1ha6 s ARG 25 N -3.94 3.88 -0.35 4.92 0.52 -1.26 -1.12 118.95 121.59 1ha6 s ARG 25 Ca 0.14 0.36 0.01 0.00 -0.52 0.00 0.00 55.73 55.72 1ha6 s ARG 25 Cb 0.05 -3.12 0.11 0.00 0.52 0.00 0.00 34.95 32.51 1ha6 s ARG 25 CO -0.04 0.63 0.12 -1.14 0.02 0.00 0.00 175.30 174.89 1ha6 s GLN 26 N -1.43 1.10 0.68 3.54 0.74 -0.11 -4.85 119.66 119.33 1ha6 s GLN 26 Ca 0.28 -1.56 -0.15 0.00 0.05 0.00 0.00 55.36 53.98 1ha6 s GLN 26 Cb -0.16 -2.47 0.01 0.00 1.10 0.00 0.00 33.01 31.50 1ha6 s GLN 26 CO 0.16 -1.01 1.16 -1.64 -0.55 0.00 0.00 175.29 173.40 1ha6 s MET 27 N 1.08 2.55 -1.06 1.67 -1.94 -1.26 -1.45 119.30 118.88 1ha6 s MET 27 Ca 0.12 1.58 -0.16 0.00 -1.71 0.00 0.00 55.69 55.51 1ha6 s MET 27 Cb -0.20 -1.90 0.15 0.00 2.01 0.00 0.00 34.83 34.90 1ha6 s MET 27 CO -0.14 -1.48 1.26 0.00 -0.01 0.00 0.00 175.02 174.65 1ha6 s ALA 28 N -2.13 3.70 0.00 3.03 0.00 -1.26 -4.04 121.76 121.06 1ha6 s ALA 28 Ca 0.71 -3.07 0.00 0.00 0.00 0.00 0.00 51.96 49.59 1ha6 s ALA 28 Cb -0.25 -4.07 0.00 0.00 0.00 0.00 0.00 23.12 18.81 1ha6 s ALA 28 CO 0.42 -2.86 0.00 -0.25 0.00 0.00 0.00 175.76 173.07 1ha6 n ASP 29 N 6.01 0.00 -1.62 0.00 8.00 0.77 -4.83 116.55 124.88 1ha6 n ASP 29 Ca 0.30 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.80 1ha6 n ASP 29 Cb 0.46 0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 1ha6 n ASP 29 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1ha6 n GLU 30 N -1.92 2.83 0.10 -1.24 2.13 -1.26 -4.75 120.64 116.55 1ha6 n GLU 30 Ca 0.00 0.00 0.20 0.00 0.66 0.00 0.00 57.16 58.02 1ha6 n GLU 30 Cb 0.00 0.00 0.71 0.00 0.27 0.00 0.00 31.44 32.42 1ha6 n GLU 30 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ha6 h ALA 31 N -2.00 2.07 -3.20 4.31 0.00 -2.01 -3.38 119.26 115.06 1ha6 h ALA 31 Ca 0.00 -0.01 -0.68 0.00 0.00 0.00 0.00 54.91 54.22 1ha6 h ALA 31 Cb 0.00 0.03 -0.13 0.00 0.00 0.00 0.00 17.79 17.69 1ha6 h ALA 31 CO 0.00 -0.73 -0.60 0.00 0.00 0.00 0.00 179.25 177.92 1ha6 n ASP 33 N 2.00 2.76 -4.34 0.00 4.64 -1.26 -0.16 116.55 120.19 1ha6 n ASP 33 Ca -0.18 -1.88 -0.21 0.00 -1.38 0.00 0.00 54.79 51.14 1ha6 n ASP 33 Cb 0.54 0.12 -0.11 0.00 -1.04 0.00 0.00 41.12 40.63 1ha6 n ASP 33 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 1ha6 s ILE 34 N -2.12 1.81 -0.21 5.18 -4.36 -1.26 -4.55 121.20 115.69 1ha6 s ILE 34 Ca 0.26 -1.99 -0.29 0.00 -0.26 0.00 0.00 60.65 58.37 1ha6 s ILE 34 Cb 0.19 -1.89 0.01 0.00 1.25 0.00 0.00 42.46 42.02 1ha6 s ILE 34 CO 0.37 -0.38 1.03 0.20 0.24 0.00 0.00 174.94 176.40 1ha6 s ASN 35 N -2.82 7.12 0.08 4.36 0.01 -1.26 -4.09 114.94 118.34 1ha6 s ASN 35 Ca 0.17 1.40 -0.04 0.00 -0.71 0.00 0.00 52.86 53.68 1ha6 s ASN 35 Cb -0.05 -2.54 -0.02 0.00 0.41 0.00 0.00 41.25 39.05 1ha6 s ASN 35 CO 0.07 -0.63 0.07 0.00 -1.51 0.00 0.00 177.10 175.10 1ha6 s ALA 36 N 2.99 0.26 -0.32 0.60 0.00 -0.53 -4.00 121.76 120.77 1ha6 s ALA 36 Ca 0.45 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 51.42 1ha6 s ALA 36 Cb -0.16 0.44 0.08 0.00 0.00 0.00 0.00 23.12 23.49 1ha6 s ALA 36 CO 0.08 -0.45 0.02 0.42 0.00 0.00 0.00 175.76 175.83 1ha6 s ILE 37 N -3.92 2.44 -0.36 0.00 -1.09 0.15 -0.93 121.20 117.50 1ha6 s ILE 37 Ca 0.09 -2.00 -0.28 0.00 -2.23 0.00 0.00 60.65 56.22 1ha6 s ILE 37 Cb 0.07 -2.64 -0.02 0.00 -1.58 0.00 0.00 42.46 38.29 1ha6 s ILE 37 CO -0.09 -0.39 1.81 -0.63 -1.23 0.00 0.00 174.94 174.42 1ha6 s ILE 38 N 1.03 3.46 -0.03 2.92 1.01 -0.28 -0.99 121.20 128.32 1ha6 s ILE 38 Ca 0.03 0.45 -0.02 0.00 0.00 0.00 0.00 60.65 61.11 1ha6 s ILE 38 Cb -0.20 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 1ha6 s ILE 38 CO -0.06 -0.46 0.11 -0.36 0.00 0.00 0.00 174.94 174.17 1ha6 s PHE 39 N 7.18 3.40 -0.47 3.97 0.08 0.19 0.32 117.98 132.65 1ha6 s PHE 39 Ca 0.79 0.30 0.06 0.00 0.12 0.00 0.00 56.93 58.20 1ha6 s PHE 39 Cb -0.21 -1.80 0.21 0.00 -0.57 0.00 0.00 43.02 40.64 1ha6 s PHE 39 CO 0.32 0.60 0.46 0.72 -0.10 0.00 0.00 175.22 177.23 1ha6 n HIS 40 N 1.35 0.30 -0.59 0.36 8.25 0.21 0.15 115.22 125.25 1ha6 n HIS 40 Ca -0.14 -3.61 -0.24 0.00 -0.26 0.00 0.00 57.72 53.47 1ha6 n HIS 40 Cb 0.53 -0.15 0.21 0.00 1.12 0.00 0.00 29.99 31.71 1ha6 n HIS 40 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1ha6 n THR 41 N 2.03 0.00 1.06 1.59 -2.24 -1.20 -1.67 114.28 113.86 1ha6 n THR 41 Ca 0.26 -0.21 0.12 0.00 -2.27 0.00 0.00 64.05 61.95 1ha6 n THR 41 Cb 0.47 -1.00 0.31 0.00 -2.10 0.00 0.00 70.33 68.02 1ha6 n THR 41 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1ha6 n LYS 42 N -4.54 0.18 -2.58 -0.78 0.00 -1.20 -4.31 118.16 104.92 1ha6 n LYS 42 Ca 0.11 -0.10 -0.01 0.00 -0.00 0.00 0.00 58.31 58.32 1ha6 n LYS 42 Cb 0.47 -1.50 0.06 0.00 -0.00 0.00 0.00 35.03 34.06 1ha6 n LYS 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1ha6 n LYS 43 N -1.32 1.38 -3.64 -1.58 3.00 -1.26 -5.08 118.16 109.66 1ha6 n LYS 43 Ca 0.07 -2.58 -0.05 0.00 -0.00 0.00 0.00 58.31 55.75 1ha6 n LYS 43 Cb 0.34 -0.77 -0.07 0.00 0.00 0.00 0.00 35.03 34.53 1ha6 n LYS 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1ha6 s ARG 44 N -2.13 0.36 0.80 1.64 3.52 -1.26 -5.18 118.95 116.70 1ha6 s ARG 44 Ca 0.21 0.51 -0.13 0.00 -0.13 0.00 0.00 55.73 56.19 1ha6 s ARG 44 Cb 0.35 0.13 0.20 0.00 -1.56 0.00 0.00 34.95 34.07 1ha6 s ARG 44 CO -0.08 -0.06 0.60 1.17 -0.81 0.00 0.00 175.30 176.13 1ha6 n LYS 45 N 2.76 -2.90 -1.64 5.12 4.81 -1.26 -3.20 118.16 121.84 1ha6 n LYS 45 Ca -0.15 -0.98 -0.56 0.00 -0.87 0.00 0.00 58.31 55.76 1ha6 n LYS 45 Cb 0.57 -1.05 -0.07 0.00 0.02 0.00 0.00 35.03 34.50 1ha6 n LYS 45 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1ha6 n SER 46 N -4.37 2.39 -4.09 3.14 3.41 -1.24 -4.55 113.62 108.30 1ha6 n SER 46 Ca 0.09 0.93 -0.34 0.00 -0.26 0.00 0.00 58.87 59.28 1ha6 n SER 46 Cb 0.36 -1.18 -0.13 0.00 -0.26 0.00 0.00 64.21 63.00 1ha6 n SER 46 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1ha6 s VAL 47 N 4.42 2.81 -0.47 -3.33 1.01 0.12 -4.87 120.40 120.09 1ha6 s VAL 47 Ca 1.01 -1.99 -0.18 0.00 0.00 0.00 0.00 61.98 60.82 1ha6 s VAL 47 Cb -1.01 -2.88 0.05 0.00 0.00 0.00 0.00 36.38 32.53 1ha6 s VAL 47 CO 0.61 -0.49 0.54 0.00 0.00 0.00 0.00 175.10 175.77 1ha6 s ALA 49 N 2.37 2.31 0.10 0.00 0.00 -0.16 -2.15 121.76 124.23 1ha6 s ALA 49 Ca 0.13 -0.95 -0.34 0.00 0.00 0.00 0.00 51.96 50.81 1ha6 s ALA 49 Cb -0.19 -0.93 -0.13 0.00 0.00 0.00 0.00 23.12 21.87 1ha6 s ALA 49 CO 0.12 0.29 1.66 -3.47 0.00 0.00 0.00 175.76 174.36 1ha6 n ASP 50 N 3.47 3.22 -2.11 0.00 2.03 -1.26 0.32 116.55 122.22 1ha6 n ASP 50 Ca -0.19 1.05 -0.06 0.00 0.52 0.00 0.00 54.79 56.12 1ha6 n ASP 50 Cb 0.53 -1.42 -0.08 0.00 -0.72 0.00 0.00 41.12 39.43 1ha6 n ASP 50 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1ha6 n PRO 51 N 4.25 1.07 0.00 -0.67 -0.04 -1.26 -3.43 135.00 134.92 1ha6 n PRO 51 Ca 0.18 -0.48 0.00 0.00 -0.04 0.00 0.00 63.50 63.17 1ha6 n PRO 51 Cb 0.29 -1.68 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 1ha6 n PRO 51 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ha6 n LYS 52 N 2.51 5.55 -2.69 0.54 4.76 -1.26 -4.71 118.16 122.86 1ha6 n LYS 52 Ca 0.21 -0.07 -0.21 0.00 -2.87 0.00 0.00 58.31 55.36 1ha6 n LYS 52 Cb 0.50 -0.54 0.06 0.00 -1.84 0.00 0.00 35.03 33.21 1ha6 n LYS 52 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1ha6 s GLN 53 N -0.81 2.23 -0.04 1.97 -0.21 -1.22 -4.99 119.66 116.58 1ha6 s GLN 53 Ca 0.00 -1.03 -0.22 0.00 0.02 0.00 0.00 55.36 54.13 1ha6 s GLN 53 Cb 0.00 -2.47 -0.29 0.00 1.00 0.00 0.00 33.01 31.25 1ha6 s GLN 53 CO 0.00 -0.96 0.94 -2.95 -2.12 0.00 0.00 175.29 170.20 1ha6 h ASN 54 N -0.09 0.43 -0.41 5.90 -1.07 -1.96 -1.55 115.58 116.83 1ha6 h ASN 54 Ca -0.38 -0.90 -0.05 0.00 0.07 0.00 0.00 56.30 55.03 1ha6 h ASN 54 Cb 1.28 -0.14 -0.02 0.00 -2.07 0.00 0.00 38.32 37.38 1ha6 h ASN 54 CO 0.46 1.29 0.07 4.11 0.07 0.00 0.00 177.43 183.43 1ha6 h TRP 55 N -0.37 0.73 0.84 4.14 5.08 -1.97 0.32 115.95 124.72 1ha6 h TRP 55 Ca -0.11 -0.10 -0.04 0.00 1.08 0.00 0.00 58.89 59.72 1ha6 h TRP 55 Cb 1.47 -0.20 0.01 0.00 -3.00 0.00 0.00 29.16 27.44 1ha6 h TRP 55 CO 0.19 0.71 -0.40 0.28 -1.28 0.00 0.00 178.44 177.93 1ha6 h VAL 56 N 0.54 0.10 -0.87 0.12 2.07 -1.90 -0.03 116.25 116.28 1ha6 h VAL 56 Ca 0.13 -0.10 0.10 0.00 0.82 0.00 0.00 66.70 67.64 1ha6 h VAL 56 Cb 0.37 0.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.19 1ha6 h VAL 56 CO 0.01 0.01 0.56 0.07 0.02 0.00 0.00 177.57 178.24 1ha6 h LYS 57 N -1.22 0.82 -0.50 1.57 2.10 -1.13 0.11 116.57 118.33 1ha6 h LYS 57 Ca -0.12 -0.05 -0.03 0.00 -2.00 0.00 0.00 60.65 58.45 1ha6 h LYS 57 Cb 0.87 -0.19 -0.02 0.00 -0.90 0.00 0.00 32.23 32.00 1ha6 h LYS 57 CO 0.19 0.54 0.18 0.00 -2.00 0.00 0.00 179.45 178.36 1ha6 h ARG 58 N 0.85 0.75 -0.34 0.07 3.08 -0.11 0.79 114.38 119.48 1ha6 h ARG 58 Ca 0.41 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 60.26 1ha6 h ARG 58 Cb 0.43 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1ha6 h ARG 58 CO -0.17 0.69 0.03 0.00 -1.07 0.00 0.00 179.97 179.45 1ha6 h ALA 59 N 1.03 0.45 0.00 0.04 0.00 -0.18 -2.18 119.26 118.42 1ha6 h ALA 59 Ca 0.16 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1ha6 h ALA 59 Cb 0.23 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ha6 h ALA 59 CO -0.01 0.18 -0.16 0.28 0.00 0.00 0.00 179.25 179.54 1ha6 h VAL 60 N 0.40 0.78 0.43 0.00 2.07 -0.49 -1.70 116.25 117.74 1ha6 h VAL 60 Ca 0.10 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 1ha6 h VAL 60 Cb 0.40 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1ha6 h VAL 60 CO 0.01 0.15 -0.21 -1.13 0.02 0.00 0.00 177.57 176.42 1ha6 h ASN 61 N 0.00 -0.49 -0.93 0.57 -0.73 0.12 0.76 115.58 114.88 1ha6 h ASN 61 Ca -0.00 -0.10 0.03 0.00 1.87 0.00 0.00 56.30 58.10 1ha6 h ASN 61 Cb 0.36 0.13 -0.05 0.00 0.27 0.00 0.00 38.32 39.02 1ha6 h ASN 61 CO 0.02 -0.15 0.61 -0.07 -0.37 0.00 0.00 177.43 177.47 1ha6 h LEU 62 N -0.86 1.02 -1.01 0.34 4.07 -1.25 -0.90 115.31 116.72 1ha6 h LEU 62 Ca -0.06 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.88 1ha6 h LEU 62 Cb 0.56 -0.24 -0.04 0.00 1.08 0.00 0.00 40.66 42.02 1ha6 h LEU 62 CO 0.10 0.71 0.50 0.25 -1.08 0.00 0.00 178.44 178.92 1ha6 h LEU 63 N 1.19 1.06 -1.09 1.67 6.46 -1.16 -2.11 115.31 121.32 1ha6 h LEU 63 Ca 0.37 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 58.05 1ha6 h LEU 63 Cb -0.02 -0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 39.60 1ha6 h LEU 63 CO -0.11 0.83 0.55 -1.28 -0.62 0.00 0.00 178.44 177.81 1ha6 h SER 64 N 1.20 1.02 1.19 1.25 0.87 0.20 0.76 113.55 120.03 1ha6 h SER 64 Ca 0.31 -0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.75 1ha6 h SER 64 Cb -0.01 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.68 1ha6 h SER 64 CO -0.05 0.76 -0.34 0.17 -0.53 0.00 0.00 176.83 176.84 1ha6 h LEU 65 N 1.19 0.00 0.00 2.23 8.10 -1.12 -2.75 115.31 122.95 1ha6 h LEU 65 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.30 1ha6 h LEU 65 Cb -0.09 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.13 1ha6 h LEU 65 CO -0.06 0.34 -0.00 -0.09 -4.11 0.00 0.00 178.44 174.51 1ha6 h ARG 66 N 0.00 0.00 -1.51 0.17 9.65 -0.47 -3.36 114.38 118.86 1ha6 h ARG 66 Ca -0.00 0.00 -0.32 0.00 -1.10 0.00 0.00 59.98 58.56 1ha6 h ARG 66 Cb 1.02 0.00 -0.14 0.00 -1.39 0.00 0.00 29.97 29.47 1ha6 h ARG 66 CO 0.04 0.00 0.41 0.28 2.80 0.00 0.00 179.97 183.50 1ha6 n VAL 67 N -3.36 2.74 0.00 0.20 0.31 0.25 -4.22 118.33 114.24 1ha6 n VAL 67 Ca -0.00 -1.61 0.00 0.00 -0.01 0.00 0.00 64.34 62.72 1ha6 n VAL 67 Cb 0.00 -1.32 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 1ha6 n VAL 67 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1ha6 n LYS 68 N 0.34 0.00 -1.97 5.55 5.02 -1.04 -4.88 118.16 121.18 1ha6 n LYS 68 Ca 0.29 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.21 1ha6 n LYS 68 Cb 0.59 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.63 1ha6 n LYS 68 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1ha6 s LYS 69 N 0.00 3.24 0.00 1.97 1.02 -1.26 -4.29 119.74 120.42 1ha6 s LYS 69 Ca 0.00 1.99 0.00 0.00 0.02 0.00 0.00 55.97 57.98 1ha6 s LYS 69 Cb 0.00 -2.19 0.00 0.00 -0.52 0.00 0.00 37.83 35.12 1ha6 s LYS 69 CO 0.00 -1.04 0.00 -0.12 -0.92 0.00 0.00 175.35 173.27