#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 -1.42 -3.63 0.00 7.64 -1.26 -5.19 113.62 109.76 1ha6 n SER 2 Ca 0.00 -2.77 -0.03 0.00 1.01 0.00 0.00 58.87 57.09 1ha6 n SER 2 Cb 0.00 2.60 -0.00 0.00 -1.01 0.00 0.00 64.21 65.79 1ha6 n SER 2 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1ha6 s ASN 3 N -3.05 -0.11 0.79 6.43 0.02 -1.26 -5.16 114.94 112.59 1ha6 s ASN 3 Ca 0.26 -0.44 -0.14 0.00 -1.02 0.00 0.00 52.86 51.52 1ha6 s ASN 3 Cb -0.01 0.44 0.07 0.00 0.02 0.00 0.00 41.25 41.77 1ha6 s ASN 3 CO 0.19 -0.84 1.20 -0.47 0.02 0.00 0.00 177.10 177.20 1ha6 s TYR 4 N -2.85 1.89 -0.73 2.20 5.04 -1.26 -4.93 117.35 116.72 1ha6 s TYR 4 Ca 0.15 1.65 -0.02 0.00 -2.44 0.00 0.00 57.07 56.41 1ha6 s TYR 4 Cb -0.01 -3.46 0.32 0.00 0.35 0.00 0.00 41.96 39.16 1ha6 s TYR 4 CO 0.02 -2.75 2.14 -0.40 -1.34 0.00 0.00 175.55 173.23 1ha6 n ASP 5 N -3.15 7.37 0.00 4.32 5.68 -1.26 -4.85 116.55 124.65 1ha6 n ASP 5 Ca 0.13 -3.70 0.00 0.00 -0.50 0.00 0.00 54.79 50.72 1ha6 n ASP 5 Cb 0.51 -1.07 0.00 0.00 -1.14 0.00 0.00 41.12 39.41 1ha6 n ASP 5 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ha6 h LEU 8 N -1.53 0.03 0.00 0.00 -0.00 -1.93 -3.40 115.31 108.47 1ha6 h LEU 8 Ca -0.46 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.45 1ha6 h LEU 8 Cb 1.32 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 42.00 1ha6 h LEU 8 CO 0.32 -0.04 0.00 -1.20 -0.00 0.00 0.00 178.44 177.52 1ha6 n SER 9 N -4.07 0.00 -3.37 -0.43 7.64 -1.26 -5.12 113.62 107.01 1ha6 n SER 9 Ca 0.43 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 60.00 1ha6 n SER 9 Cb 1.92 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 65.14 1ha6 n SER 9 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ha6 n TYR 10 N -0.48 -3.05 -1.51 1.43 4.19 -1.26 -4.63 117.16 111.85 1ha6 n TYR 10 Ca 0.00 0.22 -0.42 0.00 3.31 0.00 0.00 57.90 61.01 1ha6 n TYR 10 Cb 0.00 -1.29 -0.07 0.00 0.49 0.00 0.00 39.34 38.47 1ha6 n TYR 10 CO 0.00 0.00 0.00 -0.89 0.91 0.00 0.00 176.86 176.88 1ha6 n ILE 11 N -1.52 0.04 0.69 2.97 2.08 0.37 -4.75 119.36 119.24 1ha6 n ILE 11 Ca 0.03 -0.44 0.09 0.00 0.56 0.00 0.00 62.75 63.00 1ha6 n ILE 11 Cb 0.41 -1.93 0.42 0.00 -0.75 0.00 0.00 39.64 37.79 1ha6 n ILE 11 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ha6 n GLN 12 N 8.64 0.03 -3.15 0.38 10.64 -1.26 -4.56 117.38 128.10 1ha6 n GLN 12 Ca 0.44 0.16 0.05 0.00 -1.83 0.00 0.00 57.00 55.82 1ha6 n GLN 12 Cb 0.33 -1.50 -0.01 0.00 -0.86 0.00 0.00 30.24 28.20 1ha6 n GLN 12 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1ha6 s THR 13 N -2.96 -0.75 -0.53 -0.39 2.01 -1.26 -5.12 115.64 106.64 1ha6 s THR 13 Ca 0.10 0.00 -0.28 0.00 0.31 0.00 0.00 61.69 61.82 1ha6 s THR 13 Cb 0.13 -0.91 0.01 0.00 0.01 0.00 0.00 72.50 71.74 1ha6 s THR 13 CO 0.34 0.00 1.42 -2.16 -0.69 0.00 0.00 174.62 173.53 1ha6 s PRO 14 N 2.89 3.35 0.43 4.92 0.04 -1.26 -5.01 135.00 140.35 1ha6 s PRO 14 Ca 0.14 0.55 -0.04 0.00 0.04 0.00 0.00 61.00 61.68 1ha6 s PRO 14 Cb -0.11 -4.11 -0.04 0.00 0.04 0.00 0.00 34.50 30.28 1ha6 s PRO 14 CO -0.20 -1.87 0.71 -0.48 0.04 0.00 0.00 177.00 175.20 1ha6 s LEU 15 N 5.96 3.77 0.55 -3.56 2.34 -1.26 -5.07 118.68 121.42 1ha6 s LEU 15 Ca 0.54 0.81 -0.18 0.00 0.06 0.00 0.00 54.13 55.36 1ha6 s LEU 15 Cb -0.11 -3.73 -0.05 0.00 -0.56 0.00 0.00 46.19 41.73 1ha6 s LEU 15 CO 0.26 -0.46 1.08 -2.16 -1.06 0.00 0.00 176.35 174.01 1ha6 s PRO 16 N -4.47 3.41 0.33 1.48 0.04 -1.26 -4.89 135.00 129.65 1ha6 s PRO 16 Ca 0.46 1.42 0.22 0.00 0.04 0.00 0.00 61.00 63.13 1ha6 s PRO 16 Cb -0.10 -2.03 1.18 0.00 0.04 0.00 0.00 34.50 33.58 1ha6 s PRO 16 CO 0.40 -0.77 1.65 -1.13 0.04 0.00 0.00 177.00 177.20 1ha6 n SER 17 N -1.50 0.56 0.15 6.66 3.41 -1.26 -0.80 113.62 120.85 1ha6 n SER 17 Ca 0.10 0.76 0.11 0.00 -0.26 0.00 0.00 58.87 59.58 1ha6 n SER 17 Cb 0.52 -0.82 0.56 0.00 -0.26 0.00 0.00 64.21 64.21 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 -2.27 0.15 -0.06 4.33 5.12 -1.26 -0.56 116.66 122.12 1ha6 n ARG 18 Ca -0.01 0.58 0.05 0.00 -1.93 0.00 0.00 57.85 56.53 1ha6 n ARG 18 Cb 0.06 -1.93 0.08 0.00 -1.16 0.00 0.00 32.46 29.51 1ha6 n ARG 18 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ha6 n ALA 19 N -1.78 2.37 -2.57 7.54 0.00 0.02 -4.95 120.51 121.14 1ha6 n ALA 19 Ca -0.00 -0.78 -0.40 0.00 0.00 0.00 0.00 53.44 52.25 1ha6 n ALA 19 Cb 0.09 -0.37 -0.09 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.92 5.11 -0.17 0.00 1.09 0.28 -3.50 121.20 123.09 1ha6 s ILE 20 Ca 0.16 0.38 -0.15 0.00 -1.10 0.00 0.00 60.65 59.94 1ha6 s ILE 20 Cb 0.10 -3.83 -0.22 0.00 -1.06 0.00 0.00 42.46 37.44 1ha6 s ILE 20 CO 0.14 -0.04 0.28 0.55 -0.10 0.00 0.00 174.94 175.77 1ha6 n VAL 21 N 5.26 1.65 -3.67 2.92 3.14 -1.21 -4.94 118.33 121.48 1ha6 n VAL 21 Ca -0.07 -0.32 -0.08 0.00 -2.96 0.00 0.00 64.34 60.91 1ha6 n VAL 21 Cb 0.50 -1.90 -0.09 0.00 -1.06 0.00 0.00 33.84 31.29 1ha6 n VAL 21 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1ha6 s GLY 22 N -5.19 -0.49 0.26 7.55 0.00 -1.00 -5.01 107.32 103.43 1ha6 s GLY 22 Ca -0.26 1.94 0.01 0.00 0.00 0.00 0.00 44.72 46.41 1ha6 s GLY 22 CO 0.67 2.20 0.13 -0.11 0.00 0.00 0.00 173.10 175.99 1ha6 s PHE 23 N 1.82 1.47 0.31 1.90 -0.71 -1.26 0.11 117.98 121.62 1ha6 s PHE 23 Ca -0.08 -1.30 -0.02 0.00 -1.04 0.00 0.00 56.93 54.49 1ha6 s PHE 23 Cb -0.08 -0.80 -0.01 0.00 -1.21 0.00 0.00 43.02 40.92 1ha6 s PHE 23 CO -0.16 -0.48 0.39 0.99 -1.34 0.00 0.00 175.22 174.62 1ha6 s THR 24 N -3.80 0.00 -0.04 -4.49 2.01 0.24 -4.94 115.64 104.61 1ha6 s THR 24 Ca 0.38 -1.70 -0.11 0.00 0.31 0.00 0.00 61.69 60.56 1ha6 s THR 24 Cb 0.07 -2.54 -0.05 0.00 0.01 0.00 0.00 72.50 69.99 1ha6 s THR 24 CO 0.15 0.00 0.30 -0.13 -0.69 0.00 0.00 174.62 174.25 1ha6 s ARG 25 N -3.41 3.73 -0.49 4.92 0.52 -1.26 -1.34 118.95 121.62 1ha6 s ARG 25 Ca 0.32 0.19 0.04 0.00 -0.52 0.00 0.00 55.73 55.76 1ha6 s ARG 25 Cb 0.01 -3.20 0.13 0.00 0.52 0.00 0.00 34.95 32.41 1ha6 s ARG 25 CO 0.19 0.72 0.23 -1.14 0.02 0.00 0.00 175.30 175.32 1ha6 s GLN 26 N -1.10 1.83 0.88 3.54 0.74 -0.41 -4.81 119.66 120.34 1ha6 s GLN 26 Ca 0.21 -2.46 -0.11 0.00 0.05 0.00 0.00 55.36 53.05 1ha6 s GLN 26 Cb -0.15 -3.18 0.12 0.00 1.10 0.00 0.00 33.01 30.91 1ha6 s GLN 26 CO 0.10 -1.10 1.09 -1.64 -0.55 0.00 0.00 175.29 173.20 1ha6 s MET 27 N -0.08 1.34 -0.46 1.67 -1.94 -1.26 -2.09 119.30 116.48 1ha6 s MET 27 Ca 0.16 0.95 -0.12 0.00 -1.71 0.00 0.00 55.69 54.97 1ha6 s MET 27 Cb -0.25 -1.81 0.09 0.00 2.01 0.00 0.00 34.83 34.87 1ha6 s MET 27 CO -0.01 -2.22 0.35 0.00 -0.01 0.00 0.00 175.02 173.14 1ha6 s ALA 28 N -2.88 3.45 0.00 3.03 0.00 -1.25 -4.54 121.76 119.57 1ha6 s ALA 28 Ca 0.63 -2.25 0.00 0.00 0.00 0.00 0.00 51.96 50.34 1ha6 s ALA 28 Cb -0.18 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.02 1ha6 s ALA 28 CO 0.57 -1.77 0.00 -0.25 0.00 0.00 0.00 175.76 174.31 1ha6 n ASP 29 N 5.06 0.00 -2.69 0.00 8.00 0.11 -4.91 116.55 122.12 1ha6 n ASP 29 Ca -0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.39 1ha6 n ASP 29 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 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 0.00 2.34 0.20 -1.24 2.13 -1.26 -4.66 120.64 118.16 1ha6 n GLU 30 Ca 0.00 0.00 0.18 0.00 0.66 0.00 0.00 57.16 58.00 1ha6 n GLU 30 Cb 0.00 0.00 0.76 0.00 0.27 0.00 0.00 31.44 32.47 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 -2.02 1.78 -2.81 4.31 0.00 -2.01 -3.37 119.26 115.13 1ha6 h ALA 31 Ca 0.00 -0.01 -0.60 0.00 0.00 0.00 0.00 54.91 54.30 1ha6 h ALA 31 Cb 0.00 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 1ha6 h ALA 31 CO 0.00 -0.53 -0.21 0.00 0.00 0.00 0.00 179.25 178.51 1ha6 n ASP 33 N 2.62 2.27 -4.27 0.00 -0.08 -1.26 0.08 116.55 115.90 1ha6 n ASP 33 Ca -0.12 -1.66 -0.18 0.00 -1.51 0.00 0.00 54.79 51.32 1ha6 n ASP 33 Cb 0.52 -0.09 -0.10 0.00 2.34 0.00 0.00 41.12 43.79 1ha6 n ASP 33 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 1ha6 s ILE 34 N -0.92 0.62 -0.10 5.18 -4.36 -1.26 -4.73 121.20 115.64 1ha6 s ILE 34 Ca 0.16 -2.00 -0.14 0.00 -0.26 0.00 0.00 60.65 58.41 1ha6 s ILE 34 Cb 0.10 -2.62 -0.05 0.00 1.25 0.00 0.00 42.46 41.14 1ha6 s ILE 34 CO 0.14 0.00 0.36 0.20 0.24 0.00 0.00 174.94 175.87 1ha6 s ASN 35 N -3.37 6.60 0.19 4.36 0.01 -1.26 -3.87 114.94 117.60 1ha6 s ASN 35 Ca 0.36 0.72 -0.22 0.00 -0.71 0.00 0.00 52.86 53.01 1ha6 s ASN 35 Cb 0.07 -2.22 0.05 0.00 0.41 0.00 0.00 41.25 39.57 1ha6 s ASN 35 CO 0.15 0.18 0.61 0.00 -1.51 0.00 0.00 177.10 176.52 1ha6 s ALA 36 N -0.12 -1.44 -0.31 0.60 0.00 -0.89 -3.89 121.76 115.70 1ha6 s ALA 36 Ca 0.21 0.25 -0.06 0.00 0.00 0.00 0.00 51.96 52.35 1ha6 s ALA 36 Cb -0.15 0.87 0.03 0.00 0.00 0.00 0.00 23.12 23.87 1ha6 s ALA 36 CO 0.08 -0.82 0.08 0.42 0.00 0.00 0.00 175.76 175.52 1ha6 s ILE 37 N -3.80 3.81 -0.93 0.00 -1.09 0.22 -1.28 121.20 118.13 1ha6 s ILE 37 Ca 0.04 -0.93 -0.24 0.00 -2.23 0.00 0.00 60.65 57.28 1ha6 s ILE 37 Cb -0.02 -3.06 0.04 0.00 -1.58 0.00 0.00 42.46 37.84 1ha6 s ILE 37 CO -0.08 -0.04 1.43 -0.63 -1.23 0.00 0.00 174.94 174.38 1ha6 s ILE 38 N 1.44 3.84 0.57 2.92 1.01 -0.45 -1.73 121.20 128.80 1ha6 s ILE 38 Ca 0.00 -0.40 -0.07 0.00 0.00 0.00 0.00 60.65 60.18 1ha6 s ILE 38 Cb -0.18 -4.96 -0.02 0.00 0.01 0.00 0.00 42.46 37.31 1ha6 s ILE 38 CO 0.02 -1.86 0.91 -0.36 0.00 0.00 0.00 174.94 173.65 1ha6 s PHE 39 N 5.45 3.44 -0.45 3.97 0.08 0.25 0.83 117.98 131.55 1ha6 s PHE 39 Ca 0.44 0.87 0.07 0.00 0.12 0.00 0.00 56.93 58.43 1ha6 s PHE 39 Cb -0.03 -2.62 0.27 0.00 -0.57 0.00 0.00 43.02 40.07 1ha6 s PHE 39 CO -0.02 -0.65 0.83 0.72 -0.10 0.00 0.00 175.22 176.01 1ha6 n HIS 40 N -2.55 -2.29 -0.25 0.36 8.25 0.30 -0.02 115.22 119.02 1ha6 n HIS 40 Ca 0.04 -2.41 -0.12 0.00 -0.26 0.00 0.00 57.72 54.97 1ha6 n HIS 40 Cb 0.56 0.98 0.11 0.00 1.12 0.00 0.00 29.99 32.76 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 1.25 0.00 1.00 1.59 -2.24 -1.19 -2.39 114.28 112.30 1ha6 n THR 41 Ca 0.13 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.01 1ha6 n THR 41 Cb 0.62 -0.37 -0.04 0.00 -2.10 0.00 0.00 70.33 68.44 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 -2.02 0.00 -2.40 -0.78 2.85 -1.23 -4.35 118.16 110.23 1ha6 n LYS 42 Ca 0.05 -0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.32 1ha6 n LYS 42 Cb 0.23 -1.50 0.04 0.00 -0.65 0.00 0.00 35.03 33.15 1ha6 n LYS 42 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1ha6 n LYS 43 N -1.50 1.17 -3.55 -1.58 4.81 -1.26 -5.05 118.16 111.19 1ha6 n LYS 43 Ca 0.04 -3.02 -0.01 0.00 -0.87 0.00 0.00 58.31 54.45 1ha6 n LYS 43 Cb 0.33 -1.09 -0.05 0.00 0.02 0.00 0.00 35.03 34.24 1ha6 n LYS 43 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1ha6 s ARG 44 N -2.56 0.38 1.22 1.64 3.52 -1.26 -5.17 118.95 116.72 1ha6 s ARG 44 Ca 0.29 0.77 -0.19 0.00 -0.13 0.00 0.00 55.73 56.47 1ha6 s ARG 44 Cb 0.34 0.27 0.30 0.00 -1.56 0.00 0.00 34.95 34.30 1ha6 s ARG 44 CO -0.08 -0.10 0.68 0.36 -0.81 0.00 0.00 175.30 175.35 1ha6 n LYS 45 N 4.33 -3.72 -1.69 5.12 2.85 -1.26 -3.16 118.16 120.63 1ha6 n LYS 45 Ca -0.15 -1.14 -0.65 0.00 -1.05 0.00 0.00 58.31 55.32 1ha6 n LYS 45 Cb 0.55 -1.62 -0.09 0.00 -0.65 0.00 0.00 35.03 33.22 1ha6 n LYS 45 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1ha6 n SER 46 N -4.42 1.07 -4.12 -5.58 3.41 -1.26 -4.57 113.62 98.16 1ha6 n SER 46 Ca 0.11 1.17 -0.34 0.00 -0.26 0.00 0.00 58.87 59.55 1ha6 n SER 46 Cb 0.47 -0.92 -0.14 0.00 -0.26 0.00 0.00 64.21 63.36 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 2.35 2.68 -0.28 -3.33 1.01 0.98 -4.91 120.40 118.90 1ha6 s VAL 47 Ca 1.01 -1.65 -0.12 0.00 0.00 0.00 0.00 61.98 61.22 1ha6 s VAL 47 Cb -1.40 -2.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 1ha6 s VAL 47 CO 0.74 -0.21 0.22 0.00 0.00 0.00 0.00 175.10 175.86 1ha6 s ALA 49 N 1.78 0.91 0.37 0.00 0.00 -0.71 -0.48 121.76 123.64 1ha6 s ALA 49 Ca 0.08 -0.20 -0.28 0.00 0.00 0.00 0.00 51.96 51.57 1ha6 s ALA 49 Cb -0.16 -0.47 -0.11 0.00 0.00 0.00 0.00 23.12 22.38 1ha6 s ALA 49 CO 0.11 0.05 1.40 -3.47 0.00 0.00 0.00 175.76 173.85 1ha6 n ASP 50 N 3.92 3.32 -2.23 0.00 2.03 -1.26 0.73 116.55 123.06 1ha6 n ASP 50 Ca -0.24 1.21 -0.11 0.00 0.52 0.00 0.00 54.79 56.16 1ha6 n ASP 50 Cb 0.51 -1.56 -0.12 0.00 -0.72 0.00 0.00 41.12 39.23 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 0.41 1.61 -0.08 -0.67 -0.04 -1.25 -3.78 135.00 131.20 1ha6 n PRO 51 Ca 0.03 -0.84 0.05 0.00 -0.04 0.00 0.00 63.50 62.70 1ha6 n PRO 51 Cb 0.38 -1.94 0.06 0.00 -0.04 0.00 0.00 33.50 31.97 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 2.75 1.70 -4.60 0.54 4.76 -1.26 -4.93 118.16 117.12 1ha6 n LYS 52 Ca 0.35 -1.87 -0.28 0.00 -2.87 0.00 0.00 58.31 53.63 1ha6 n LYS 52 Cb 0.64 -1.15 -0.09 0.00 -1.84 0.00 0.00 35.03 32.59 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 -1.70 1.96 -0.12 1.97 -0.21 -1.25 -5.08 119.66 115.24 1ha6 s GLN 53 Ca 0.15 -2.18 -0.04 0.00 0.02 0.00 0.00 55.36 53.31 1ha6 s GLN 53 Cb 0.13 -1.17 -0.01 0.00 1.00 0.00 0.00 33.01 32.95 1ha6 s GLN 53 CO 0.01 -0.29 -0.05 -0.91 -2.12 0.00 0.00 175.29 171.93 1ha6 h ASN 54 N 1.71 0.00 -0.99 5.90 4.21 -1.96 -2.61 115.58 121.84 1ha6 h ASN 54 Ca -0.41 -0.01 0.32 0.00 1.21 0.00 0.00 56.30 57.41 1ha6 h ASN 54 Cb 1.27 0.00 -0.15 0.00 -1.12 0.00 0.00 38.32 38.32 1ha6 h ASN 54 CO 0.70 0.60 0.51 4.11 -1.29 0.00 0.00 177.43 182.06 1ha6 h TRP 55 N -1.00 0.83 0.64 1.19 5.08 -1.98 0.59 115.95 121.29 1ha6 h TRP 55 Ca -0.00 0.04 -0.03 0.00 1.08 0.00 0.00 58.89 59.98 1ha6 h TRP 55 Cb 0.20 -0.20 0.01 0.00 -3.00 0.00 0.00 29.16 26.16 1ha6 h TRP 55 CO -0.07 -0.22 -0.31 0.28 -1.28 0.00 0.00 178.44 176.84 1ha6 h VAL 56 N 0.27 0.00 -1.04 0.12 2.07 -1.91 0.13 116.25 115.89 1ha6 h VAL 56 Ca 0.72 -0.09 0.28 0.00 0.82 0.00 0.00 66.70 68.44 1ha6 h VAL 56 Cb 1.66 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 31.31 1ha6 h VAL 56 CO -0.64 0.00 0.63 0.07 0.02 0.00 0.00 177.57 177.65 1ha6 h LYS 57 N -0.95 0.43 0.42 1.57 2.10 -0.15 0.61 116.57 120.60 1ha6 h LYS 57 Ca -0.09 -0.03 -0.02 0.00 -2.00 0.00 0.00 60.65 58.52 1ha6 h LYS 57 Cb 0.66 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 31.90 1ha6 h LYS 57 CO 0.14 0.28 -0.20 -0.09 -2.00 0.00 0.00 179.45 177.58 1ha6 h ARG 58 N 0.44 -0.55 -0.64 0.07 9.65 0.36 0.89 114.38 124.60 1ha6 h ARG 58 Ca 0.66 0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.58 1ha6 h ARG 58 Cb 1.50 0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 30.17 1ha6 h ARG 58 CO -0.44 -0.24 0.40 0.00 2.80 0.00 0.00 179.97 182.49 1ha6 h ALA 59 N -0.51 1.51 0.00 2.80 0.00 0.33 0.12 119.26 123.51 1ha6 h ALA 59 Ca -0.06 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1ha6 h ALA 59 Cb 0.56 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ha6 h ALA 59 CO 0.10 0.44 0.00 0.28 0.00 0.00 0.00 179.25 180.07 1ha6 h VAL 60 N 0.87 0.00 0.47 0.00 2.07 0.28 -2.68 116.25 117.27 1ha6 h VAL 60 Ca 0.23 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 1ha6 h VAL 60 Cb -0.07 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1ha6 h VAL 60 CO -0.05 0.00 -0.23 -1.13 0.02 0.00 0.00 177.57 176.19 1ha6 h ASN 61 N 0.00 -0.53 -0.94 0.57 -1.24 0.36 0.85 115.58 114.65 1ha6 h ASN 61 Ca 0.00 -0.06 0.01 0.00 0.71 0.00 0.00 56.30 56.96 1ha6 h ASN 61 Cb 0.74 0.14 -0.05 0.00 0.73 0.00 0.00 38.32 39.88 1ha6 h ASN 61 CO 0.00 -0.12 0.61 -0.07 -1.29 0.00 0.00 177.43 176.56 1ha6 h LEU 62 N -1.07 1.08 -1.48 0.34 4.07 -1.45 0.81 115.31 117.60 1ha6 h LEU 62 Ca -0.06 -0.03 -0.05 0.00 0.08 0.00 0.00 57.88 57.81 1ha6 h LEU 62 Cb 0.56 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 1ha6 h LEU 62 CO 0.11 0.79 -0.25 0.25 -1.08 0.00 0.00 178.44 178.26 1ha6 h LEU 63 N 1.27 0.00 -0.10 1.67 6.46 -1.41 -2.32 115.31 120.89 1ha6 h LEU 63 Ca 0.34 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 58.09 1ha6 h LEU 63 Cb -0.14 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 39.79 1ha6 h LEU 63 CO -0.07 0.25 0.03 -1.28 -0.62 0.00 0.00 178.44 176.74 1ha6 h SER 64 N 0.00 0.15 0.76 1.25 0.87 0.32 1.16 113.55 118.07 1ha6 h SER 64 Ca -0.00 -0.23 -0.05 0.00 -1.23 0.00 0.00 61.79 60.28 1ha6 h SER 64 Cb 0.54 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 1ha6 h SER 64 CO 0.03 0.34 -0.22 -0.07 -0.53 0.00 0.00 176.83 176.38 1ha6 h LEU 65 N -0.04 0.00 0.11 2.23 3.38 -1.36 -1.75 115.31 117.88 1ha6 h LEU 65 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1ha6 h LEU 65 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1ha6 h LEU 65 CO 0.00 0.22 -0.05 -0.09 0.09 0.00 0.00 178.44 178.61 1ha6 h ARG 66 N 0.00 -0.14 -1.15 1.13 2.43 -0.75 -3.30 114.38 112.59 1ha6 h ARG 66 Ca -0.00 0.01 -0.25 0.00 -0.81 0.00 0.00 59.98 58.93 1ha6 h ARG 66 Cb 0.66 0.03 -0.13 0.00 -0.42 0.00 0.00 29.97 30.11 1ha6 h ARG 66 CO 0.03 0.30 0.32 1.55 -1.51 0.00 0.00 179.97 180.65 1ha6 n VAL 67 N -4.85 2.17 -3.05 0.20 3.14 0.39 -4.46 118.33 111.88 1ha6 n VAL 67 Ca -0.07 -1.04 0.01 0.00 -2.96 0.00 0.00 64.34 60.29 1ha6 n VAL 67 Cb 0.25 -0.92 -0.00 0.00 -1.06 0.00 0.00 33.84 32.10 1ha6 n VAL 67 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1ha6 s LYS 68 N -1.52 0.61 0.70 1.45 2.47 -0.67 -4.94 119.74 117.85 1ha6 s LYS 68 Ca 0.26 -0.21 -0.12 0.00 -1.56 0.00 0.00 55.97 54.34 1ha6 s LYS 68 Cb 0.21 0.07 0.17 0.00 -1.46 0.00 0.00 37.83 36.82 1ha6 s LYS 68 CO 0.03 -0.88 0.76 1.17 0.16 0.00 0.00 175.35 176.59 1ha6 n LYS 69 N 4.13 -1.64 0.00 4.03 4.81 -1.26 -4.53 118.16 123.70 1ha6 n LYS 69 Ca 0.09 -1.19 0.00 0.00 -0.87 0.00 0.00 58.31 56.34 1ha6 n LYS 69 Cb 0.59 -0.95 0.00 0.00 0.02 0.00 0.00 35.03 34.69 1ha6 n LYS 69 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45