#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ha6 s SER 2 N 0.00 -1.22 -0.30 0.00 1.04 -1.26 -5.12 113.70 106.84 1ha6 s SER 2 Ca 0.00 -1.22 -0.17 0.00 0.48 0.00 0.00 55.95 55.04 1ha6 s SER 2 Cb 0.00 1.77 0.22 0.00 0.10 0.00 0.00 66.02 68.11 1ha6 s SER 2 CO 0.00 -0.14 1.31 0.21 0.98 0.00 0.00 173.24 175.61 1ha6 s ASN 3 N 1.44 -0.01 0.41 7.02 3.04 -1.26 -5.15 114.94 120.42 1ha6 s ASN 3 Ca 0.21 0.02 -0.26 0.00 0.04 0.00 0.00 52.86 52.87 1ha6 s ASN 3 Cb -0.03 0.90 -0.09 0.00 -1.54 0.00 0.00 41.25 40.48 1ha6 s ASN 3 CO -0.06 -0.00 1.37 -0.31 -3.04 0.00 0.00 177.10 175.06 1ha6 s TYR 4 N 0.90 2.68 -0.48 0.43 2.02 -1.26 -4.99 117.35 116.65 1ha6 s TYR 4 Ca -0.06 1.32 0.07 0.00 -0.37 0.00 0.00 57.07 58.03 1ha6 s TYR 4 Cb -0.02 -3.81 0.19 0.00 -0.40 0.00 0.00 41.96 37.91 1ha6 s TYR 4 CO -0.10 -2.49 0.71 0.34 -1.57 0.00 0.00 175.55 172.44 1ha6 s ASP 5 N -0.54 -1.44 0.00 2.29 2.15 -1.26 -4.92 116.67 112.95 1ha6 s ASP 5 Ca 0.57 -1.42 0.00 0.00 0.43 0.00 0.00 52.55 52.13 1ha6 s ASP 5 Cb -0.41 1.87 0.00 0.00 -0.30 0.00 0.00 42.92 44.07 1ha6 s ASP 5 CO 0.54 -0.08 0.00 0.00 -0.17 0.00 0.00 175.17 175.46 1ha6 n LEU 8 N 0.87 0.21 0.00 0.00 4.77 -1.26 -4.39 117.00 117.20 1ha6 n LEU 8 Ca 0.02 1.10 0.00 0.00 -0.03 0.00 0.00 56.01 57.10 1ha6 n LEU 8 Cb 0.59 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1ha6 n LEU 8 CO 0.51 -1.22 0.00 -1.54 -1.33 0.00 0.00 177.39 173.81 1ha6 n SER 9 N -4.41 0.00 -3.74 -1.43 3.41 -1.26 -5.16 113.62 101.03 1ha6 n SER 9 Ca 0.28 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.55 1ha6 n SER 9 Cb 0.99 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.96 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 -3.73 -1.55 7.33 9.36 -1.26 -4.41 117.16 122.89 1ha6 n TYR 10 Ca 0.00 0.18 -0.13 0.00 3.32 0.00 0.00 57.90 61.27 1ha6 n TYR 10 Cb 0.00 -1.41 -0.09 0.00 -0.63 0.00 0.00 39.34 37.21 1ha6 n TYR 10 CO 0.00 0.00 0.00 1.51 0.22 0.00 0.00 176.86 178.59 1ha6 n ILE 11 N -1.83 0.00 0.31 2.97 0.13 -0.07 -4.71 119.36 116.16 1ha6 n ILE 11 Ca 0.03 -0.35 0.19 0.00 -1.10 0.00 0.00 62.75 61.52 1ha6 n ILE 11 Cb 0.47 -1.85 1.03 0.00 -0.84 0.00 0.00 39.64 38.44 1ha6 n ILE 11 CO 0.00 0.00 0.00 0.06 2.80 0.00 0.00 176.55 179.41 1ha6 h GLN 12 N 12.23 0.00 -2.12 9.51 3.07 -1.90 -3.36 115.11 132.54 1ha6 h GLN 12 Ca 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.51 1ha6 h GLN 12 Cb 1.01 0.00 -0.32 0.00 0.08 0.00 0.00 27.48 28.25 1ha6 h GLN 12 CO 1.03 0.00 -0.56 0.99 0.09 0.00 0.00 178.83 180.39 1ha6 s THR 13 N -4.31 -0.49 0.35 1.86 2.01 -1.26 -5.15 115.64 108.65 1ha6 s THR 13 Ca -0.05 -0.17 -0.27 0.00 0.31 0.00 0.00 61.69 61.51 1ha6 s THR 13 Cb 0.13 -0.81 -0.09 0.00 0.01 0.00 0.00 72.50 71.73 1ha6 s THR 13 CO 0.43 -0.22 1.23 -2.16 -0.69 0.00 0.00 174.62 173.21 1ha6 s PRO 14 N 2.45 4.27 0.13 4.92 0.04 -1.26 -5.05 135.00 140.50 1ha6 s PRO 14 Ca 0.10 2.02 0.05 0.00 0.04 0.00 0.00 61.00 63.21 1ha6 s PRO 14 Cb -0.15 -2.94 -0.04 0.00 0.04 0.00 0.00 34.50 31.41 1ha6 s PRO 14 CO -0.19 -0.19 -0.12 -0.48 0.04 0.00 0.00 177.00 176.07 1ha6 s LEU 15 N -2.01 2.45 0.56 -3.56 2.34 -1.26 -5.14 118.68 112.06 1ha6 s LEU 15 Ca 0.51 -0.88 -0.19 0.00 0.06 0.00 0.00 54.13 53.63 1ha6 s LEU 15 Cb -0.35 -0.45 -0.05 0.00 -0.56 0.00 0.00 46.19 44.77 1ha6 s LEU 15 CO 0.46 -0.22 1.15 -2.16 -1.06 0.00 0.00 176.35 174.52 1ha6 s PRO 16 N -3.08 3.25 0.40 1.48 0.04 -1.26 -4.89 135.00 130.94 1ha6 s PRO 16 Ca 0.11 1.68 0.26 0.00 0.04 0.00 0.00 61.00 63.10 1ha6 s PRO 16 Cb -0.02 -1.99 1.43 0.00 0.04 0.00 0.00 34.50 33.96 1ha6 s PRO 16 CO 0.02 -0.95 1.80 0.66 0.04 0.00 0.00 177.00 178.57 1ha6 h SER 17 N 1.12 0.00 0.14 6.66 4.64 -1.94 -0.31 113.55 123.86 1ha6 h SER 17 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1ha6 h SER 17 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1ha6 h SER 17 CO 0.56 0.00 0.00 0.03 -0.87 0.00 0.00 176.83 176.55 1ha6 h ARG 18 N 0.00 0.00 0.00 4.77 2.47 -1.99 -0.30 114.38 119.32 1ha6 h ARG 18 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1ha6 h ARG 18 Cb 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 1ha6 h ARG 18 CO 0.00 0.00 -0.88 0.00 0.56 0.00 0.00 179.97 179.65 1ha6 n ALA 19 N -1.80 3.45 -2.60 0.04 0.00 -0.13 -4.94 120.51 114.53 1ha6 n ALA 19 Ca -0.01 -0.37 -0.43 0.00 0.00 0.00 0.00 53.44 52.63 1ha6 n ALA 19 Cb 0.07 -0.48 -0.02 0.00 0.00 0.00 0.00 19.45 19.01 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 -2.44 4.31 -0.11 0.00 1.09 -0.13 -3.19 121.20 120.74 1ha6 s ILE 20 Ca 0.03 1.21 -0.22 0.00 -1.10 0.00 0.00 60.65 60.57 1ha6 s ILE 20 Cb 0.10 -4.54 -0.27 0.00 -1.06 0.00 0.00 42.46 36.69 1ha6 s ILE 20 CO 0.56 -0.89 0.69 1.62 -0.10 0.00 0.00 174.94 176.82 1ha6 h VAL 21 N 6.12 1.40 -2.28 2.92 3.04 -1.80 -3.48 116.25 122.17 1ha6 h VAL 21 Ca -0.23 -2.41 -0.05 0.00 -1.01 0.00 0.00 66.70 63.00 1ha6 h VAL 21 Cb 1.06 3.02 -0.23 0.00 -2.01 0.00 0.00 31.29 33.13 1ha6 h VAL 21 CO 1.09 0.64 -0.07 -0.83 -1.01 0.00 0.00 177.57 177.39 1ha6 s GLY 22 N -4.56 -0.49 0.19 3.17 0.00 -1.00 -5.03 107.32 99.60 1ha6 s GLY 22 Ca -0.18 1.91 -0.04 0.00 0.00 0.00 0.00 44.72 46.40 1ha6 s GLY 22 CO 0.75 1.84 0.20 -0.11 0.00 0.00 0.00 173.10 175.78 1ha6 s PHE 23 N 1.04 0.83 0.14 1.90 -0.71 -1.26 0.71 117.98 120.64 1ha6 s PHE 23 Ca -0.06 -1.13 -0.01 0.00 -1.04 0.00 0.00 56.93 54.69 1ha6 s PHE 23 Cb -0.05 -0.33 -0.04 0.00 -1.21 0.00 0.00 43.02 41.39 1ha6 s PHE 23 CO -0.10 -0.69 0.07 0.99 -1.34 0.00 0.00 175.22 174.15 1ha6 s THR 24 N -4.08 0.09 0.09 -4.49 2.01 0.21 -4.98 115.64 104.50 1ha6 s THR 24 Ca 0.29 -1.93 -0.10 0.00 0.31 0.00 0.00 61.69 60.27 1ha6 s THR 24 Cb 0.05 -2.13 -0.06 0.00 0.01 0.00 0.00 72.50 70.37 1ha6 s THR 24 CO 0.07 -0.38 0.41 -0.13 -0.69 0.00 0.00 174.62 173.90 1ha6 s ARG 25 N -4.07 3.76 -0.02 4.92 0.52 -1.26 -1.16 118.95 121.64 1ha6 s ARG 25 Ca 0.27 0.17 0.01 0.00 -0.52 0.00 0.00 55.73 55.66 1ha6 s ARG 25 Cb 0.07 -2.97 0.01 0.00 0.52 0.00 0.00 34.95 32.58 1ha6 s ARG 25 CO 0.04 0.54 -0.05 -1.14 0.02 0.00 0.00 175.30 174.71 1ha6 s GLN 26 N -2.00 0.63 0.25 3.54 -0.44 -0.24 -4.83 119.66 116.57 1ha6 s GLN 26 Ca 0.34 -0.15 0.08 0.00 -2.50 0.00 0.00 55.36 53.14 1ha6 s GLN 26 Cb -0.14 -0.64 -0.04 0.00 -1.64 0.00 0.00 33.01 30.55 1ha6 s GLN 26 CO 0.19 0.02 0.08 0.00 0.50 0.00 0.00 175.29 176.08 1ha6 s MET 27 N 0.41 2.56 -0.63 1.67 0.23 -1.26 -2.07 119.30 120.22 1ha6 s MET 27 Ca -0.05 -1.24 -0.21 0.00 -1.03 0.00 0.00 55.69 53.16 1ha6 s MET 27 Cb -0.09 -2.34 0.09 0.00 -1.53 0.00 0.00 34.83 30.96 1ha6 s MET 27 CO -0.00 0.39 0.83 0.00 -2.03 0.00 0.00 175.02 174.21 1ha6 s ALA 28 N -2.20 3.27 0.00 3.16 0.00 -1.26 -3.93 121.76 120.80 1ha6 s ALA 28 Ca 0.32 -2.05 0.00 0.00 0.00 0.00 0.00 51.96 50.23 1ha6 s ALA 28 Cb -0.07 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.36 1ha6 s ALA 28 CO 0.22 -2.56 0.00 -0.25 0.00 0.00 0.00 175.76 173.17 1ha6 n ASP 29 N 6.99 0.00 -2.19 0.00 8.00 0.12 -4.88 116.55 124.59 1ha6 n ASP 29 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 1ha6 n ASP 29 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 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 2.68 0.33 -1.24 4.07 -1.25 -4.75 120.64 120.47 1ha6 n GLU 30 Ca 0.00 0.00 0.18 0.00 -0.06 0.00 0.00 57.16 57.28 1ha6 n GLU 30 Cb 0.00 0.00 0.98 0.00 -0.06 0.00 0.00 31.44 32.36 1ha6 n GLU 30 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ha6 h ALA 31 N -2.00 1.24 -3.12 4.31 0.00 -2.01 -3.39 119.26 114.28 1ha6 h ALA 31 Ca 0.00 -0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.25 1ha6 h ALA 31 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.68 1ha6 h ALA 31 CO 0.00 -0.21 -0.58 0.00 0.00 0.00 0.00 179.25 178.46 1ha6 n ASP 33 N 1.51 0.89 -4.15 0.00 4.64 -1.26 -0.70 116.55 117.48 1ha6 n ASP 33 Ca -0.15 -0.73 -0.17 0.00 -1.38 0.00 0.00 54.79 52.36 1ha6 n ASP 33 Cb 0.53 0.56 -0.12 0.00 -1.04 0.00 0.00 41.12 41.05 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 -2.90 0.97 0.33 5.18 -4.36 -1.26 -4.57 121.20 114.59 1ha6 s ILE 34 Ca 0.12 -1.32 -0.28 0.00 -0.26 0.00 0.00 60.65 58.91 1ha6 s ILE 34 Cb 0.17 -1.02 -0.09 0.00 1.25 0.00 0.00 42.46 42.76 1ha6 s ILE 34 CO 0.74 -0.31 1.17 0.20 0.24 0.00 0.00 174.94 176.97 1ha6 s ASN 35 N -1.83 6.93 0.21 4.36 -0.87 -1.26 -4.33 114.94 118.15 1ha6 s ASN 35 Ca -0.02 2.39 -0.17 0.00 -1.57 0.00 0.00 52.86 53.48 1ha6 s ASN 35 Cb -0.09 -2.63 0.02 0.00 -0.02 0.00 0.00 41.25 38.54 1ha6 s ASN 35 CO 0.02 -0.40 0.54 0.00 -2.57 0.00 0.00 177.10 174.69 1ha6 s ALA 36 N -1.24 -0.89 -0.35 0.60 0.00 -0.88 -3.98 121.76 115.02 1ha6 s ALA 36 Ca 0.49 -0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.18 1ha6 s ALA 36 Cb -0.33 0.88 0.10 0.00 0.00 0.00 0.00 23.12 23.76 1ha6 s ALA 36 CO 0.43 -0.83 0.07 0.42 0.00 0.00 0.00 175.76 175.85 1ha6 s ILE 37 N -3.89 2.48 -0.49 0.00 -1.09 0.14 -1.08 121.20 117.26 1ha6 s ILE 37 Ca 0.11 -2.23 -0.27 0.00 -2.23 0.00 0.00 60.65 56.03 1ha6 s ILE 37 Cb -0.01 -2.77 -0.04 0.00 -1.58 0.00 0.00 42.46 38.05 1ha6 s ILE 37 CO -0.01 -0.57 2.09 -0.63 -1.23 0.00 0.00 174.94 174.59 1ha6 s ILE 38 N 0.97 3.21 0.04 2.92 1.09 -0.31 -1.68 121.20 127.43 1ha6 s ILE 38 Ca 0.09 0.15 -0.06 0.00 -1.10 0.00 0.00 60.65 59.73 1ha6 s ILE 38 Cb -0.20 -3.47 -0.05 0.00 -1.06 0.00 0.00 42.46 37.69 1ha6 s ILE 38 CO -0.07 -0.42 0.28 -0.36 -0.10 0.00 0.00 174.94 174.27 1ha6 s PHE 39 N 9.91 3.55 -0.44 3.97 0.08 0.27 0.66 117.98 135.99 1ha6 s PHE 39 Ca 0.83 0.53 0.07 0.00 0.12 0.00 0.00 56.93 58.48 1ha6 s PHE 39 Cb -0.17 -1.97 0.23 0.00 -0.57 0.00 0.00 43.02 40.54 1ha6 s PHE 39 CO 0.26 0.58 0.51 0.72 -0.10 0.00 0.00 175.22 177.19 1ha6 n HIS 40 N 0.86 0.16 -0.79 0.36 8.25 0.22 0.01 115.22 124.28 1ha6 n HIS 40 Ca -0.09 -3.61 -0.32 0.00 -0.26 0.00 0.00 57.72 53.44 1ha6 n HIS 40 Cb 0.52 -0.26 0.16 0.00 1.12 0.00 0.00 29.99 31.53 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 1.66 0.55 1.21 1.59 -2.24 -1.20 -2.38 114.28 113.48 1ha6 n THR 41 Ca 0.24 -0.07 0.12 0.00 -2.27 0.00 0.00 64.05 62.07 1ha6 n THR 41 Cb 0.50 -1.03 0.62 0.00 -2.10 0.00 0.00 70.33 68.32 1ha6 n THR 41 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1ha6 n LYS 42 N -3.87 0.43 -2.72 -0.78 3.00 -1.19 -3.42 118.16 109.61 1ha6 n LYS 42 Ca 0.12 0.05 -0.05 0.00 -0.00 0.00 0.00 58.31 58.43 1ha6 n LYS 42 Cb 0.52 -1.50 0.07 0.00 0.00 0.00 0.00 35.03 34.11 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 -1.22 1.36 -3.64 1.64 4.81 -1.26 -5.08 118.16 114.76 1ha6 n LYS 43 Ca 0.13 -2.78 -0.04 0.00 -0.87 0.00 0.00 58.31 54.75 1ha6 n LYS 43 Cb 0.16 -0.89 -0.07 0.00 0.02 0.00 0.00 35.03 34.25 1ha6 n LYS 43 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1ha6 s ARG 44 N -2.26 0.13 1.00 1.64 0.52 -1.22 -5.18 118.95 113.58 1ha6 s ARG 44 Ca 0.24 0.13 -0.17 0.00 -0.52 0.00 0.00 55.73 55.41 1ha6 s ARG 44 Cb 0.41 0.06 0.25 0.00 0.52 0.00 0.00 34.95 36.19 1ha6 s ARG 44 CO -0.03 -0.02 0.72 1.63 0.02 0.00 0.00 175.30 177.62 1ha6 n LYS 45 N 1.47 -3.36 -1.64 3.54 5.02 -1.26 -3.24 118.16 118.69 1ha6 n LYS 45 Ca -0.09 -1.19 -0.49 0.00 -2.02 0.00 0.00 58.31 54.52 1ha6 n LYS 45 Cb 0.57 -1.30 -0.05 0.00 -0.02 0.00 0.00 35.03 34.23 1ha6 n LYS 45 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1ha6 n SER 46 N -4.73 2.49 -4.03 4.39 3.41 -1.25 -4.47 113.62 109.42 1ha6 n SER 46 Ca 0.11 1.09 -0.31 0.00 -0.26 0.00 0.00 58.87 59.50 1ha6 n SER 46 Cb 0.44 -1.31 -0.16 0.00 -0.26 0.00 0.00 64.21 62.92 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 1.17 1.71 -0.42 -3.33 1.01 0.10 -4.89 120.40 115.76 1ha6 s VAL 47 Ca 0.84 -0.85 -0.16 0.00 0.00 0.00 0.00 61.98 61.81 1ha6 s VAL 47 Cb -0.82 -1.66 0.03 0.00 0.00 0.00 0.00 36.38 33.93 1ha6 s VAL 47 CO 0.44 0.37 0.34 0.00 0.00 0.00 0.00 175.10 176.25 1ha6 s ALA 49 N 1.77 2.58 0.19 0.00 0.00 -0.68 -0.89 121.76 124.73 1ha6 s ALA 49 Ca 0.06 -1.16 -0.33 0.00 0.00 0.00 0.00 51.96 50.54 1ha6 s ALA 49 Cb -0.19 -1.42 -0.15 0.00 0.00 0.00 0.00 23.12 21.36 1ha6 s ALA 49 CO 0.10 -0.31 1.29 -3.47 0.00 0.00 0.00 175.76 173.37 1ha6 n ASP 50 N 4.56 1.95 -2.57 0.00 4.64 -1.26 0.26 116.55 124.14 1ha6 n ASP 50 Ca -0.19 1.14 -0.10 0.00 -1.38 0.00 0.00 54.79 54.25 1ha6 n ASP 50 Cb 0.51 -1.30 -0.06 0.00 -1.04 0.00 0.00 41.12 39.23 1ha6 n ASP 50 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 1ha6 n PRO 51 N 2.02 1.24 -0.33 -0.67 -0.04 -1.26 -3.82 135.00 132.15 1ha6 n PRO 51 Ca 0.14 -0.77 0.05 0.00 -0.04 0.00 0.00 63.50 62.88 1ha6 n PRO 51 Cb 0.27 -1.96 0.07 0.00 -0.04 0.00 0.00 33.50 31.84 1ha6 n PRO 51 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1ha6 n LYS 52 N 3.31 0.64 -4.59 0.54 -0.00 -1.26 -4.91 118.16 111.88 1ha6 n LYS 52 Ca 0.27 -1.83 -0.27 0.00 -0.00 0.00 0.00 58.31 56.48 1ha6 n LYS 52 Cb 0.32 -0.99 -0.10 0.00 -0.00 0.00 0.00 35.03 34.27 1ha6 n LYS 52 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1ha6 s GLN 53 N -1.44 1.91 -0.07 -1.58 -0.21 -1.25 -5.06 119.66 111.96 1ha6 s GLN 53 Ca 0.17 -2.11 -0.18 0.00 0.02 0.00 0.00 55.36 53.26 1ha6 s GLN 53 Cb 0.15 -1.33 -0.29 0.00 1.00 0.00 0.00 33.01 32.54 1ha6 s GLN 53 CO 0.01 -0.17 0.72 -2.95 -2.12 0.00 0.00 175.29 170.77 1ha6 h ASN 54 N 1.79 0.46 -0.59 5.90 7.08 -1.97 -2.35 115.58 125.90 1ha6 h ASN 54 Ca -0.42 -0.90 -0.09 0.00 -3.08 0.00 0.00 56.30 51.80 1ha6 h ASN 54 Cb 1.26 -0.15 -0.02 0.00 -2.08 0.00 0.00 38.32 37.33 1ha6 h ASN 54 CO 0.75 1.55 0.00 4.11 -2.08 0.00 0.00 177.43 181.76 1ha6 h TRP 55 N -0.28 1.14 0.43 4.14 5.08 -1.97 0.20 115.95 124.68 1ha6 h TRP 55 Ca -0.24 -0.19 -0.02 0.00 1.08 0.00 0.00 58.89 59.52 1ha6 h TRP 55 Cb 1.76 -0.30 0.00 0.00 -3.00 0.00 0.00 29.16 27.63 1ha6 h TRP 55 CO 0.15 1.00 -0.21 0.28 -1.28 0.00 0.00 178.44 178.38 1ha6 h VAL 56 N 0.96 0.00 -0.98 0.12 2.07 -1.91 -1.01 116.25 115.50 1ha6 h VAL 56 Ca 0.17 -0.08 0.23 0.00 0.82 0.00 0.00 66.70 67.85 1ha6 h VAL 56 Cb 0.54 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.24 1ha6 h VAL 56 CO 0.03 0.00 0.64 0.07 0.02 0.00 0.00 177.57 178.33 1ha6 h LYS 57 N -0.66 0.39 -0.25 1.57 2.10 -1.24 0.37 116.57 118.85 1ha6 h LYS 57 Ca -0.06 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.56 1ha6 h LYS 57 Cb 0.44 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 31.67 1ha6 h LYS 57 CO 0.10 0.26 0.11 0.00 -2.00 0.00 0.00 179.45 177.92 1ha6 h ARG 58 N 0.40 0.37 -0.27 0.07 -0.00 -0.39 0.80 114.38 115.35 1ha6 h ARG 58 Ca 0.53 -0.06 -0.08 0.00 -0.50 0.00 0.00 59.98 59.87 1ha6 h ARG 58 Cb 1.35 -0.06 -0.01 0.00 0.00 0.00 0.00 29.97 31.25 1ha6 h ARG 58 CO -0.23 0.39 -0.16 0.00 0.00 0.00 0.00 179.97 179.98 1ha6 h ALA 59 N 0.96 0.39 0.00 0.04 0.00 0.40 -2.51 119.26 118.54 1ha6 h ALA 59 Ca 0.09 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1ha6 h ALA 59 Cb 0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1ha6 h ALA 59 CO -0.01 0.29 -0.19 0.28 0.00 0.00 0.00 179.25 179.62 1ha6 h VAL 60 N 0.33 0.95 0.72 0.00 2.07 -0.23 -2.25 116.25 117.83 1ha6 h VAL 60 Ca 0.06 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 1ha6 h VAL 60 Cb 0.68 1.40 0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1ha6 h VAL 60 CO 0.04 0.19 -0.35 -1.13 0.02 0.00 0.00 177.57 176.35 1ha6 h ASN 61 N 0.00 -0.82 -0.89 0.57 -0.73 0.10 0.84 115.58 114.66 1ha6 h ASN 61 Ca -0.00 0.01 0.15 0.00 1.87 0.00 0.00 56.30 58.33 1ha6 h ASN 61 Cb 0.39 0.21 -0.07 0.00 0.27 0.00 0.00 38.32 39.12 1ha6 h ASN 61 CO 0.03 -0.47 0.57 -0.07 -0.37 0.00 0.00 177.43 177.12 1ha6 h LEU 62 N -1.18 0.61 -0.87 0.34 4.07 -1.26 0.18 115.31 117.20 1ha6 h LEU 62 Ca -0.10 0.04 -0.10 0.00 0.08 0.00 0.00 57.88 57.80 1ha6 h LEU 62 Cb 0.76 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.41 1ha6 h LEU 62 CO 0.16 0.30 -0.24 0.25 -1.08 0.00 0.00 178.44 177.83 1ha6 h LEU 63 N 0.64 0.57 -1.30 1.67 6.46 -1.08 -1.63 115.31 120.64 1ha6 h LEU 63 Ca 0.45 -0.20 -0.00 0.00 -0.12 0.00 0.00 57.88 58.02 1ha6 h LEU 63 Cb 0.80 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.54 1ha6 h LEU 63 CO -0.21 0.80 0.41 -1.28 -0.62 0.00 0.00 178.44 177.54 1ha6 h SER 64 N 0.50 0.77 1.38 1.25 0.87 0.38 0.92 113.55 119.63 1ha6 h SER 64 Ca 0.07 -0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.55 1ha6 h SER 64 Cb 0.69 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 1ha6 h SER 64 CO 0.05 0.59 -0.64 0.17 -0.53 0.00 0.00 176.83 176.47 1ha6 h LEU 65 N 0.90 0.00 0.07 2.23 8.10 -1.31 -3.24 115.31 122.06 1ha6 h LEU 65 Ca 0.24 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.22 1ha6 h LEU 65 Cb -0.06 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.17 1ha6 h LEU 65 CO -0.05 0.17 -0.04 -0.09 -4.11 0.00 0.00 178.44 174.33 1ha6 h ARG 66 N 0.00 -0.10 -1.75 0.17 9.65 -0.11 -3.35 114.38 118.89 1ha6 h ARG 66 Ca -0.02 0.01 -0.29 0.00 -1.10 0.00 0.00 59.98 58.58 1ha6 h ARG 66 Cb 1.15 0.02 -0.11 0.00 -1.39 0.00 0.00 29.97 29.64 1ha6 h ARG 66 CO 0.02 -0.06 0.26 0.28 2.80 0.00 0.00 179.97 183.26 1ha6 n VAL 67 N -4.29 2.77 -2.71 0.20 0.31 0.30 -4.28 118.33 110.63 1ha6 n VAL 67 Ca -0.01 -1.70 -0.03 0.00 -0.01 0.00 0.00 64.34 62.59 1ha6 n VAL 67 Cb 0.04 -1.48 0.02 0.00 -0.91 0.00 0.00 33.84 31.51 1ha6 n VAL 67 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1ha6 s LYS 68 N -1.19 0.47 0.23 5.55 2.20 -1.22 -4.90 119.74 120.88 1ha6 s LYS 68 Ca 0.35 -0.45 -0.04 0.00 -0.36 0.00 0.00 55.97 55.47 1ha6 s LYS 68 Cb 0.23 -0.02 0.06 0.00 -1.51 0.00 0.00 37.83 36.59 1ha6 s LYS 68 CO -0.05 -0.59 0.24 1.17 -0.36 0.00 0.00 175.35 175.76 1ha6 n LYS 69 N 2.79 -1.07 0.00 4.03 3.00 -1.26 -4.63 118.16 121.02 1ha6 n LYS 69 Ca 0.13 -0.38 0.00 0.00 -0.00 0.00 0.00 58.31 58.06 1ha6 n LYS 69 Cb 0.62 -0.32 0.00 0.00 0.00 0.00 0.00 35.03 35.33 1ha6 n LYS 69 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07