#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 -3.96 0.00 7.64 -1.26 -5.19 113.62 110.85 1ha6 n SER 2 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 1ha6 n SER 2 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 1ha6 n SER 2 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1ha6 s ASN 3 N 0.00 0.23 0.77 6.43 2.47 -1.26 -5.16 114.94 118.42 1ha6 s ASN 3 Ca 0.00 -0.58 -0.14 0.00 0.42 0.00 0.00 52.86 52.56 1ha6 s ASN 3 Cb 0.00 0.20 0.06 0.00 -1.45 0.00 0.00 41.25 40.06 1ha6 s ASN 3 CO 0.00 -0.47 1.22 -0.31 -3.72 0.00 0.00 177.10 173.82 1ha6 s TYR 4 N -2.51 1.87 -0.33 0.43 2.02 -1.26 -5.02 117.35 112.55 1ha6 s TYR 4 Ca -0.06 1.63 -0.08 0.00 -0.37 0.00 0.00 57.07 58.19 1ha6 s TYR 4 Cb -0.02 -3.53 0.21 0.00 -0.40 0.00 0.00 41.96 38.22 1ha6 s TYR 4 CO -0.04 -2.86 1.10 0.34 -1.57 0.00 0.00 175.55 172.52 1ha6 s ASP 5 N -2.00 -0.25 0.00 2.29 2.15 -1.26 -4.97 116.67 112.63 1ha6 s ASP 5 Ca 0.75 -0.26 0.00 0.00 0.43 0.00 0.00 52.55 53.47 1ha6 s ASP 5 Cb -0.30 0.33 0.00 0.00 -0.30 0.00 0.00 42.92 42.64 1ha6 s ASP 5 CO 0.48 -0.01 0.00 0.00 -0.17 0.00 0.00 175.17 175.47 1ha6 n LEU 8 N -5.19 -0.81 -3.64 0.00 0.00 -1.26 -4.59 117.00 101.51 1ha6 n LEU 8 Ca 0.12 1.44 -0.06 0.00 0.00 0.00 0.00 56.01 57.52 1ha6 n LEU 8 Cb 0.59 -0.21 -0.07 0.00 0.00 0.00 0.00 43.42 43.73 1ha6 n LEU 8 CO 0.45 -1.20 0.66 -0.94 0.00 0.00 0.00 177.39 176.37 1ha6 s SER 9 N -5.39 -0.53 0.62 1.96 1.04 -1.26 -5.08 113.70 105.06 1ha6 s SER 9 Ca -0.10 0.92 -0.16 0.00 0.48 0.00 0.00 55.95 57.09 1ha6 s SER 9 Cb 0.10 1.10 -0.14 0.00 0.10 0.00 0.00 66.02 67.18 1ha6 s SER 9 CO 0.52 -0.15 -0.33 0.00 0.98 0.00 0.00 173.24 174.26 1ha6 n TYR 10 N 3.15 -3.39 -1.55 5.02 9.36 -1.26 -4.25 117.16 124.22 1ha6 n TYR 10 Ca -0.16 0.26 -0.14 0.00 3.32 0.00 0.00 57.90 61.18 1ha6 n TYR 10 Cb 0.57 -1.46 -0.08 0.00 -0.63 0.00 0.00 39.34 37.73 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 -1.69 -0.00 0.32 2.97 0.13 0.69 -4.73 119.36 117.04 1ha6 n ILE 11 Ca 0.04 -0.50 0.20 0.00 -1.10 0.00 0.00 62.75 61.39 1ha6 n ILE 11 Cb 0.46 -1.83 1.07 0.00 -0.84 0.00 0.00 39.64 38.50 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 12.64 0.00 -2.35 9.51 3.07 -1.90 -3.36 115.11 132.72 1ha6 h GLN 12 Ca 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 58.65 58.42 1ha6 h GLN 12 Cb 1.02 0.00 -0.35 0.00 0.08 0.00 0.00 27.48 28.23 1ha6 h GLN 12 CO 1.06 0.00 -0.63 0.99 0.09 0.00 0.00 178.83 180.34 1ha6 s THR 13 N -4.28 -0.36 -0.37 1.86 2.01 -1.26 -5.12 115.64 108.12 1ha6 s THR 13 Ca -0.05 -0.30 -0.28 0.00 0.31 0.00 0.00 61.69 61.37 1ha6 s THR 13 Cb 0.13 -0.83 -0.01 0.00 0.01 0.00 0.00 72.50 71.80 1ha6 s THR 13 CO 0.43 -0.34 1.75 -2.16 -0.69 0.00 0.00 174.62 173.62 1ha6 s PRO 14 N 2.34 3.28 0.12 4.92 0.04 -1.26 -5.00 135.00 139.44 1ha6 s PRO 14 Ca 0.08 1.27 0.02 0.00 0.04 0.00 0.00 61.00 62.41 1ha6 s PRO 14 Cb -0.15 -4.20 -0.04 0.00 0.04 0.00 0.00 34.50 30.16 1ha6 s PRO 14 CO -0.22 -1.92 0.22 -0.48 0.04 0.00 0.00 177.00 174.64 1ha6 s LEU 15 N 6.95 4.22 0.58 -3.56 2.34 -1.26 -5.09 118.68 122.86 1ha6 s LEU 15 Ca 0.76 0.14 -0.19 0.00 0.06 0.00 0.00 54.13 54.90 1ha6 s LEU 15 Cb -0.20 -2.82 -0.04 0.00 -0.56 0.00 0.00 46.19 42.57 1ha6 s LEU 15 CO 0.32 0.10 1.17 -2.16 -1.06 0.00 0.00 176.35 174.72 1ha6 s PRO 16 N -2.92 3.12 0.53 1.48 0.04 -1.26 -4.88 135.00 131.10 1ha6 s PRO 16 Ca 0.34 1.71 0.22 0.00 0.04 0.00 0.00 61.00 63.31 1ha6 s PRO 16 Cb -0.12 -1.96 1.19 0.00 0.04 0.00 0.00 34.50 33.65 1ha6 s PRO 16 CO 0.27 -1.06 1.63 0.66 0.04 0.00 0.00 177.00 178.54 1ha6 h SER 17 N 0.96 0.00 -0.00 6.66 4.64 -1.92 0.14 113.55 124.03 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 1.28 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1ha6 h SER 17 CO 0.56 0.00 0.09 0.03 -0.87 0.00 0.00 176.83 176.63 1ha6 h ARG 18 N 0.00 0.00 -0.14 4.77 3.08 -2.00 0.15 114.38 120.24 1ha6 h ARG 18 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ha6 h ARG 18 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.75 1ha6 h ARG 18 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 1ha6 n ALA 19 N -2.04 2.38 -2.76 0.04 0.00 0.50 -4.92 120.51 113.71 1ha6 n ALA 19 Ca -0.03 -0.79 -0.40 0.00 0.00 0.00 0.00 53.44 52.23 1ha6 n ALA 19 Cb 0.15 -0.43 -0.11 0.00 0.00 0.00 0.00 19.45 19.06 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 -1.00 4.80 -0.18 0.00 1.09 0.52 -2.69 121.20 123.75 1ha6 s ILE 20 Ca 0.18 -0.45 -0.08 0.00 -1.10 0.00 0.00 60.65 59.20 1ha6 s ILE 20 Cb 0.11 -3.50 -0.22 0.00 -1.06 0.00 0.00 42.46 37.79 1ha6 s ILE 20 CO 0.16 -0.02 0.15 1.33 -0.10 0.00 0.00 174.94 176.46 1ha6 n VAL 21 N 5.02 1.66 -4.05 2.92 0.24 -1.12 -4.94 118.33 118.05 1ha6 n VAL 21 Ca -0.13 -0.51 -0.08 0.00 -2.04 0.00 0.00 64.34 61.59 1ha6 n VAL 21 Cb 0.49 -1.73 -0.10 0.00 -1.47 0.00 0.00 33.84 31.02 1ha6 n VAL 21 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ha6 s GLY 22 N -5.65 0.40 -0.00 7.63 0.00 -0.97 -5.04 107.32 103.68 1ha6 s GLY 22 Ca -0.28 -1.00 -0.29 0.00 0.00 0.00 0.00 44.72 43.15 1ha6 s GLY 22 CO 0.68 -1.10 1.08 -0.11 0.00 0.00 0.00 173.10 173.65 1ha6 s PHE 23 N -3.08 -0.16 0.16 1.90 -0.71 -1.26 0.23 117.98 115.07 1ha6 s PHE 23 Ca -0.01 -0.00 -0.06 0.00 -1.04 0.00 0.00 56.93 55.82 1ha6 s PHE 23 Cb 0.02 0.57 -0.02 0.00 -1.21 0.00 0.00 43.02 42.37 1ha6 s PHE 23 CO -0.07 -0.49 0.21 0.99 -1.34 0.00 0.00 175.22 174.53 1ha6 s THR 24 N -2.84 0.07 0.14 -4.49 2.01 0.78 -4.96 115.64 106.35 1ha6 s THR 24 Ca 0.10 -1.59 -0.14 0.00 0.31 0.00 0.00 61.69 60.38 1ha6 s THR 24 Cb 0.00 -1.96 -0.07 0.00 0.01 0.00 0.00 72.50 70.49 1ha6 s THR 24 CO -0.03 -0.32 0.53 -0.13 -0.69 0.00 0.00 174.62 173.98 1ha6 s ARG 25 N -4.01 3.96 -0.23 4.92 1.81 -1.26 -0.88 118.95 123.25 1ha6 s ARG 25 Ca 0.21 0.46 -0.02 0.00 -1.72 0.00 0.00 55.73 54.67 1ha6 s ARG 25 Cb 0.05 -2.94 0.07 0.00 -0.45 0.00 0.00 34.95 31.67 1ha6 s ARG 25 CO 0.02 0.49 0.03 -1.14 -0.68 0.00 0.00 175.30 174.02 1ha6 s GLN 26 N -1.94 0.87 0.75 3.54 0.74 -0.10 -4.80 119.66 118.72 1ha6 s GLN 26 Ca 0.37 -0.72 -0.11 0.00 0.05 0.00 0.00 55.36 54.95 1ha6 s GLN 26 Cb -0.15 -2.18 0.04 0.00 1.10 0.00 0.00 33.01 31.82 1ha6 s GLN 26 CO 0.19 -0.72 1.09 -1.64 -0.55 0.00 0.00 175.29 173.66 1ha6 s MET 27 N 1.70 2.47 -0.55 1.67 -1.94 -1.26 -1.22 119.30 120.17 1ha6 s MET 27 Ca 0.01 0.58 -0.18 0.00 -1.71 0.00 0.00 55.69 54.39 1ha6 s MET 27 Cb -0.17 -1.97 0.10 0.00 2.01 0.00 0.00 34.83 34.80 1ha6 s MET 27 CO -0.12 -1.33 0.59 0.00 -0.01 0.00 0.00 175.02 174.15 1ha6 s ALA 28 N -3.24 3.50 0.00 3.03 0.00 -1.22 -4.46 121.76 119.37 1ha6 s ALA 28 Ca 0.59 -2.25 0.00 0.00 0.00 0.00 0.00 51.96 50.31 1ha6 s ALA 28 Cb -0.13 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1ha6 s ALA 28 CO 0.53 -2.13 0.00 -0.25 0.00 0.00 0.00 175.76 173.91 1ha6 n ASP 29 N 5.84 0.00 -1.96 0.00 8.00 0.11 -4.85 116.55 123.69 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 2.57 0.18 -1.24 2.13 -1.26 -4.69 120.64 118.32 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 0.73 0.00 0.27 0.00 0.00 31.44 32.44 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 1.86 -2.72 4.31 0.00 -1.98 -3.37 119.26 115.36 1ha6 h ALA 31 Ca 0.00 -0.01 -0.64 0.00 0.00 0.00 0.00 54.91 54.26 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 -0.60 -0.39 0.00 0.00 0.00 0.00 179.25 178.25 1ha6 n ASP 33 N 2.14 1.14 -4.45 0.00 4.64 -1.26 0.10 116.55 118.85 1ha6 n ASP 33 Ca -0.18 -1.00 -0.25 0.00 -1.38 0.00 0.00 54.79 51.99 1ha6 n ASP 33 Cb 0.54 0.78 -0.10 0.00 -1.04 0.00 0.00 41.12 41.29 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 -2.88 1.22 -0.13 5.18 -4.36 -1.26 -4.55 121.20 114.41 1ha6 s ILE 34 Ca 0.11 -2.00 -0.19 0.00 -0.26 0.00 0.00 60.65 58.31 1ha6 s ILE 34 Cb 0.17 -2.69 -0.04 0.00 1.25 0.00 0.00 42.46 41.15 1ha6 s ILE 34 CO 0.78 0.00 0.52 0.20 0.24 0.00 0.00 174.94 176.68 1ha6 s ASN 35 N -3.59 6.69 0.10 4.36 -0.87 -1.26 -3.40 114.94 116.97 1ha6 s ASN 35 Ca 0.31 0.83 -0.03 0.00 -1.57 0.00 0.00 52.86 52.39 1ha6 s ASN 35 Cb 0.07 -2.30 -0.03 0.00 -0.02 0.00 0.00 41.25 38.97 1ha6 s ASN 35 CO 0.15 -0.06 0.07 0.00 -2.57 0.00 0.00 177.10 174.69 1ha6 s ALA 36 N 0.90 0.44 -0.35 0.60 0.00 -0.36 -4.03 121.76 118.97 1ha6 s ALA 36 Ca 0.27 -1.16 -0.02 0.00 0.00 0.00 0.00 51.96 51.05 1ha6 s ALA 36 Cb -0.15 0.58 0.08 0.00 0.00 0.00 0.00 23.12 23.62 1ha6 s ALA 36 CO 0.11 -0.47 0.09 0.42 0.00 0.00 0.00 175.76 175.91 1ha6 s ILE 37 N -3.96 3.05 -0.73 0.00 -1.09 0.16 -0.93 121.20 117.71 1ha6 s ILE 37 Ca 0.14 -1.76 -0.26 0.00 -2.23 0.00 0.00 60.65 56.53 1ha6 s ILE 37 Cb 0.07 -2.95 -0.23 0.00 -1.58 0.00 0.00 42.46 37.77 1ha6 s ILE 37 CO -0.05 -0.40 1.88 -0.38 -1.23 0.00 0.00 174.94 174.76 1ha6 n ILE 38 N 4.58 0.83 -2.00 2.92 5.41 -0.06 -1.44 119.36 129.59 1ha6 n ILE 38 Ca -0.07 -0.80 -0.35 0.00 1.00 0.00 0.00 62.75 62.54 1ha6 n ILE 38 Cb 0.42 -2.11 0.03 0.00 -0.71 0.00 0.00 39.64 37.27 1ha6 n ILE 38 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1ha6 s PHE 39 N 10.38 2.56 -0.41 1.39 0.08 0.20 -0.15 117.98 132.04 1ha6 s PHE 39 Ca 0.70 1.55 0.05 0.00 0.12 0.00 0.00 56.93 59.35 1ha6 s PHE 39 Cb 0.06 -3.30 0.19 0.00 -0.57 0.00 0.00 43.02 39.40 1ha6 s PHE 39 CO 0.21 -1.79 0.40 0.72 -0.10 0.00 0.00 175.22 174.65 1ha6 n HIS 40 N -1.80 -0.86 -0.12 0.36 8.25 0.14 0.52 115.22 121.71 1ha6 n HIS 40 Ca 0.12 -3.33 -0.06 0.00 -0.26 0.00 0.00 57.72 54.19 1ha6 n HIS 40 Cb 0.51 0.14 0.06 0.00 1.12 0.00 0.00 29.99 31.81 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 2.46 0.00 0.87 1.59 -2.24 -1.15 -2.28 114.28 113.53 1ha6 n THR 41 Ca 0.27 -0.01 0.09 0.00 -2.27 0.00 0.00 64.05 62.13 1ha6 n THR 41 Cb 0.50 -0.31 -0.06 0.00 -2.10 0.00 0.00 70.33 68.35 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 -2.66 1.13 -1.33 -0.78 3.00 -1.09 -4.43 118.16 112.00 1ha6 n LYS 42 Ca 0.03 -0.37 0.03 0.00 -0.00 0.00 0.00 58.31 57.99 1ha6 n LYS 42 Cb 0.12 -1.37 0.01 0.00 0.00 0.00 0.00 35.03 33.78 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 -0.88 0.00 -3.61 1.64 4.81 -1.26 -5.04 118.16 113.82 1ha6 n LYS 43 Ca 0.05 -1.80 -0.02 0.00 -0.87 0.00 0.00 58.31 55.68 1ha6 n LYS 43 Cb 0.34 -0.05 -0.05 0.00 0.02 0.00 0.00 35.03 35.29 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 0.00 0.54 1.00 1.64 3.52 -1.26 -5.17 118.95 119.22 1ha6 s ARG 44 Ca 0.27 1.24 -0.14 0.00 -0.13 0.00 0.00 55.73 56.98 1ha6 s ARG 44 Cb 0.31 0.61 0.22 0.00 -1.56 0.00 0.00 34.95 34.53 1ha6 s ARG 44 CO -0.14 -0.17 0.49 0.36 -0.81 0.00 0.00 175.30 175.03 1ha6 n LYS 45 N 5.04 -2.14 -1.74 5.12 0.00 -1.26 -2.92 118.16 120.26 1ha6 n LYS 45 Ca -0.13 -0.82 -0.68 0.00 -0.00 0.00 0.00 58.31 56.68 1ha6 n LYS 45 Cb 0.52 -1.40 -0.10 0.00 -0.00 0.00 0.00 35.03 34.05 1ha6 n LYS 45 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1ha6 n SER 46 N -2.46 1.16 -4.59 -5.58 3.41 -1.25 -4.51 113.62 99.80 1ha6 n SER 46 Ca 0.08 1.19 -0.34 0.00 -0.26 0.00 0.00 58.87 59.53 1ha6 n SER 46 Cb 0.34 -0.88 -0.11 0.00 -0.26 0.00 0.00 64.21 63.30 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 2.87 3.91 -0.49 -3.33 1.01 0.18 -4.87 120.40 119.68 1ha6 s VAL 47 Ca 1.04 -0.39 -0.05 0.00 0.00 0.00 0.00 61.98 62.58 1ha6 s VAL 47 Cb -1.49 -2.63 0.13 0.00 0.00 0.00 0.00 36.38 32.39 1ha6 s VAL 47 CO 0.81 0.58 0.32 0.00 0.00 0.00 0.00 175.10 176.81 1ha6 s ALA 49 N 0.90 2.79 0.19 0.00 0.00 -0.52 -0.22 121.76 124.90 1ha6 s ALA 49 Ca 0.10 -1.28 -0.33 0.00 0.00 0.00 0.00 51.96 50.45 1ha6 s ALA 49 Cb -0.23 -1.73 -0.14 0.00 0.00 0.00 0.00 23.12 21.02 1ha6 s ALA 49 CO -0.03 -0.59 1.40 -3.47 0.00 0.00 0.00 175.76 173.07 1ha6 n ASP 50 N 4.76 2.50 0.00 0.00 2.03 -1.26 0.40 116.55 124.98 1ha6 n ASP 50 Ca -0.17 1.13 0.08 0.00 0.52 0.00 0.00 54.79 56.34 1ha6 n ASP 50 Cb 0.49 -1.37 0.45 0.00 -0.72 0.00 0.00 41.12 39.97 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 2.38 0.51 0.11 -0.67 -0.04 -1.26 -2.57 135.00 133.45 1ha6 n PRO 51 Ca 0.14 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.59 1ha6 n PRO 51 Cb 0.28 -1.46 0.24 0.00 -0.04 0.00 0.00 33.50 32.53 1ha6 n PRO 51 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1ha6 h LYS 52 N 0.00 0.20 -7.38 0.54 1.57 -1.89 -3.37 116.57 106.24 1ha6 h LYS 52 Ca 0.00 -0.09 -0.45 0.00 -1.87 0.00 0.00 60.65 58.24 1ha6 h LYS 52 Cb 0.00 -0.00 0.16 0.00 0.08 0.00 0.00 32.23 32.46 1ha6 h LYS 52 CO 0.00 0.58 0.21 -0.65 -0.57 0.00 0.00 179.45 179.01 1ha6 s GLN 53 N -4.15 0.49 -0.14 3.15 -0.21 -1.06 -4.95 119.66 112.78 1ha6 s GLN 53 Ca -0.04 0.46 -0.11 0.00 0.02 0.00 0.00 55.36 55.68 1ha6 s GLN 53 Cb 0.14 -1.75 -0.08 0.00 1.00 0.00 0.00 33.01 32.32 1ha6 s GLN 53 CO 0.76 -2.68 0.06 -0.91 -2.12 0.00 0.00 175.29 170.41 1ha6 h ASN 54 N -1.85 0.00 -1.05 5.90 2.35 -1.90 -2.16 115.58 116.87 1ha6 h ASN 54 Ca -0.54 -0.22 0.28 0.00 -0.55 0.00 0.00 56.30 55.27 1ha6 h ASN 54 Cb 1.33 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 39.61 1ha6 h ASN 54 CO 0.58 0.85 0.68 4.11 -1.65 0.00 0.00 177.43 182.01 1ha6 h TRP 55 N -1.00 0.60 0.46 1.19 5.08 -1.96 0.64 115.95 120.96 1ha6 h TRP 55 Ca -0.07 0.02 -0.02 0.00 1.08 0.00 0.00 58.89 59.90 1ha6 h TRP 55 Cb 0.58 -0.17 0.00 0.00 -3.00 0.00 0.00 29.16 26.57 1ha6 h TRP 55 CO -0.04 0.05 -0.22 0.28 -1.28 0.00 0.00 178.44 177.23 1ha6 h VAL 56 N 0.35 0.24 -0.99 0.12 2.07 -1.87 -1.90 116.25 114.27 1ha6 h VAL 56 Ca 0.60 -0.56 0.20 0.00 0.82 0.00 0.00 66.70 67.75 1ha6 h VAL 56 Cb 1.59 0.37 -0.10 0.00 -1.52 0.00 0.00 31.29 31.63 1ha6 h VAL 56 CO -0.28 0.05 0.61 0.07 0.02 0.00 0.00 177.57 178.05 1ha6 h LYS 57 N -1.07 0.67 0.48 1.57 2.10 -0.17 0.39 116.57 120.55 1ha6 h LYS 57 Ca -0.06 -0.04 -0.02 0.00 -2.00 0.00 0.00 60.65 58.52 1ha6 h LYS 57 Cb 0.55 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 31.74 1ha6 h LYS 57 CO 0.10 0.45 -0.23 0.00 -2.00 0.00 0.00 179.45 177.77 1ha6 h ARG 58 N 0.70 -0.62 -0.95 0.07 2.47 0.22 0.90 114.38 117.17 1ha6 h ARG 58 Ca 0.56 0.04 0.03 0.00 -1.26 0.00 0.00 59.98 59.36 1ha6 h ARG 58 Cb 0.97 0.14 -0.05 0.00 -1.65 0.00 0.00 29.97 29.38 1ha6 h ARG 58 CO -0.34 -0.35 0.62 0.00 0.56 0.00 0.00 179.97 180.45 1ha6 h ALA 59 N -0.32 1.25 -0.29 0.04 0.00 -0.80 0.12 119.26 119.26 1ha6 h ALA 59 Ca -0.07 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1ha6 h ALA 59 Cb 0.55 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1ha6 h ALA 59 CO 0.11 0.52 -0.13 0.28 0.00 0.00 0.00 179.25 180.03 1ha6 h VAL 60 N 1.22 1.23 0.01 0.00 2.07 -0.80 -2.60 116.25 117.38 1ha6 h VAL 60 Ca 0.37 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1ha6 h VAL 60 Cb -0.03 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1ha6 h VAL 60 CO -0.11 0.33 -0.01 -1.13 0.02 0.00 0.00 177.57 176.67 1ha6 h ASN 61 N 0.45 -0.03 -0.56 0.57 -1.24 0.35 0.82 115.58 115.94 1ha6 h ASN 61 Ca 0.08 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.08 1ha6 h ASN 61 Cb 0.50 0.01 -0.03 0.00 0.73 0.00 0.00 38.32 39.53 1ha6 h ASN 61 CO 0.03 -0.02 0.30 -0.07 -1.29 0.00 0.00 177.43 176.38 1ha6 h LEU 62 N -0.02 0.73 -1.04 0.34 -0.00 -1.23 0.41 115.31 114.51 1ha6 h LEU 62 Ca 0.00 -0.06 -0.07 0.00 -0.00 0.00 0.00 57.88 57.75 1ha6 h LEU 62 Cb 0.03 -0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 40.48 1ha6 h LEU 62 CO -0.01 0.61 -0.03 0.25 -0.00 0.00 0.00 178.44 179.26 1ha6 h LEU 63 N 0.82 0.62 -0.75 1.67 6.46 -0.95 -1.97 115.31 121.21 1ha6 h LEU 63 Ca 0.21 -0.15 -0.00 0.00 -0.12 0.00 0.00 57.88 57.82 1ha6 h LEU 63 Cb 0.06 -0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 39.78 1ha6 h LEU 63 CO -0.03 0.71 0.46 -1.28 -0.62 0.00 0.00 178.44 177.69 1ha6 h SER 64 N 0.61 0.89 0.88 1.25 0.87 0.28 0.89 113.55 119.22 1ha6 h SER 64 Ca 0.12 -0.06 -0.08 0.00 -1.23 0.00 0.00 61.79 60.55 1ha6 h SER 64 Cb 0.43 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 1ha6 h SER 64 CO 0.02 0.69 -0.38 -0.07 -0.53 0.00 0.00 176.83 176.56 1ha6 h LEU 65 N 1.02 0.00 0.15 2.23 3.38 -1.27 -2.45 115.31 118.37 1ha6 h LEU 65 Ca 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 1ha6 h LEU 65 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1ha6 h LEU 65 CO -0.05 0.38 -0.07 -0.09 0.09 0.00 0.00 178.44 178.69 1ha6 h ARG 66 N 0.00 -0.19 -1.71 1.13 1.12 -0.35 -3.35 114.38 111.03 1ha6 h ARG 66 Ca -0.00 0.01 -0.24 0.00 -1.11 0.00 0.00 59.98 58.64 1ha6 h ARG 66 Cb 0.92 0.04 -0.10 0.00 -0.01 0.00 0.00 29.97 30.82 1ha6 h ARG 66 CO 0.05 -0.13 0.27 0.28 -3.11 0.00 0.00 179.97 177.33 1ha6 n VAL 67 N -3.99 2.61 -2.66 0.20 0.31 0.29 -4.23 118.33 110.85 1ha6 n VAL 67 Ca -0.02 -1.42 -0.03 0.00 -0.01 0.00 0.00 64.34 62.85 1ha6 n VAL 67 Cb 0.08 -1.43 0.04 0.00 -0.91 0.00 0.00 33.84 31.62 1ha6 n VAL 67 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1ha6 n LYS 68 N 0.80 0.06 -3.05 5.55 4.81 -0.92 -4.90 118.16 120.50 1ha6 n LYS 68 Ca 0.24 -0.65 -0.32 0.00 -0.87 0.00 0.00 58.31 56.70 1ha6 n LYS 68 Cb 0.57 0.27 -0.05 0.00 0.02 0.00 0.00 35.03 35.84 1ha6 n LYS 68 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1ha6 s LYS 69 N 0.92 3.91 0.00 1.64 2.20 -1.26 -4.48 119.74 122.67 1ha6 s LYS 69 Ca 0.23 0.57 0.05 0.00 -0.36 0.00 0.00 55.97 56.46 1ha6 s LYS 69 Cb 0.15 -2.43 0.28 0.00 -1.51 0.00 0.00 37.83 34.32 1ha6 s LYS 69 CO -0.11 0.10 0.75 -1.33 -0.36 0.00 0.00 175.35 174.40