#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 -3.59 0.00 3.41 -1.26 -5.18 113.62 107.00 1ha6 n SER 2 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.63 1ha6 n SER 2 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1ha6 n SER 2 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ha6 s ASN 3 N 0.00 -0.15 -0.70 4.04 6.03 -1.26 -5.05 114.94 117.86 1ha6 s ASN 3 Ca 0.00 0.23 -0.01 0.00 -1.03 0.00 0.00 52.86 52.05 1ha6 s ASN 3 Cb 0.00 1.08 0.41 0.00 -3.03 0.00 0.00 41.25 39.70 1ha6 s ASN 3 CO 0.00 -0.04 1.90 -1.22 -2.03 0.00 0.00 177.10 175.71 1ha6 n TYR 4 N 3.39 3.11 -1.04 1.54 4.02 -1.26 -4.75 117.16 122.17 1ha6 n TYR 4 Ca -0.16 -2.68 -0.18 0.00 -0.01 0.00 0.00 57.90 54.87 1ha6 n TYR 4 Cb 0.56 -1.15 -0.02 0.00 -0.02 0.00 0.00 39.34 38.71 1ha6 n TYR 4 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1ha6 n ASP 5 N -0.71 6.23 0.00 7.72 5.68 -1.26 -3.12 116.55 131.08 1ha6 n ASP 5 Ca 0.56 -2.98 0.00 0.00 -0.50 0.00 0.00 54.79 51.87 1ha6 n ASP 5 Cb 0.51 -1.16 0.00 0.00 -1.14 0.00 0.00 41.12 39.33 1ha6 n ASP 5 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ha6 n LEU 8 N 0.00 0.26 0.00 0.00 -0.00 -1.26 -4.66 117.00 111.35 1ha6 n LEU 8 Ca 0.00 1.46 0.00 0.00 -0.00 0.00 0.00 56.01 57.47 1ha6 n LEU 8 Cb 0.00 -0.71 0.00 0.00 -0.00 0.00 0.00 43.42 42.71 1ha6 n LEU 8 CO 0.00 -1.61 0.00 -1.54 -0.00 0.00 0.00 177.39 174.24 1ha6 n SER 9 N -4.89 0.00 -3.91 1.45 3.41 -1.26 -5.07 113.62 103.35 1ha6 n SER 9 Ca 0.38 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.73 1ha6 n SER 9 Cb 1.38 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 65.48 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 -0.68 -1.85 -2.95 7.33 9.36 -1.18 -3.43 117.16 123.76 1ha6 n TYR 10 Ca 0.00 0.14 -0.44 0.00 3.32 0.00 0.00 57.90 60.92 1ha6 n TYR 10 Cb 0.00 -1.45 -0.02 0.00 -0.63 0.00 0.00 39.34 37.24 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 -2.12 4.85 0.42 2.97 1.10 0.16 -4.54 121.20 124.04 1ha6 s ILE 11 Ca 0.43 -1.94 0.32 0.00 -0.51 0.00 0.00 60.65 58.95 1ha6 s ILE 11 Cb -0.06 -4.81 0.32 0.00 0.15 0.00 0.00 42.46 38.06 1ha6 s ILE 11 CO 0.49 -1.53 1.97 1.56 -2.11 0.00 0.00 174.94 175.33 1ha6 h GLN 12 N 8.28 0.00 -2.17 3.50 4.20 -1.90 -3.36 115.11 123.66 1ha6 h GLN 12 Ca 0.20 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.60 1ha6 h GLN 12 Cb 0.98 0.00 -0.33 0.00 0.30 0.00 0.00 27.48 28.43 1ha6 h GLN 12 CO 1.14 0.00 -0.63 0.99 -0.67 0.00 0.00 178.83 179.66 1ha6 s THR 13 N -3.92 -0.41 0.41 -0.54 2.01 -1.26 -5.15 115.64 106.78 1ha6 s THR 13 Ca -0.04 -0.42 -0.25 0.00 0.31 0.00 0.00 61.69 61.29 1ha6 s THR 13 Cb 0.09 -0.95 -0.08 0.00 0.01 0.00 0.00 72.50 71.57 1ha6 s THR 13 CO 0.29 -0.42 1.24 -2.16 -0.69 0.00 0.00 174.62 172.88 1ha6 s PRO 14 N 2.37 3.98 0.16 4.92 0.04 -1.26 -5.06 135.00 140.15 1ha6 s PRO 14 Ca 0.09 2.00 0.06 0.00 0.04 0.00 0.00 61.00 63.19 1ha6 s PRO 14 Cb -0.14 -2.70 -0.04 0.00 0.04 0.00 0.00 34.50 31.66 1ha6 s PRO 14 CO -0.30 -0.43 -0.12 -0.48 0.04 0.00 0.00 177.00 175.71 1ha6 s LEU 15 N -2.50 2.53 0.43 -3.56 2.34 -1.26 -5.14 118.68 111.52 1ha6 s LEU 15 Ca 0.58 -1.00 -0.24 0.00 0.06 0.00 0.00 54.13 53.53 1ha6 s LEU 15 Cb -0.34 -0.46 -0.08 0.00 -0.56 0.00 0.00 46.19 44.75 1ha6 s LEU 15 CO 0.44 -0.27 1.15 -2.16 -1.06 0.00 0.00 176.35 174.45 1ha6 s PRO 16 N -3.64 3.91 0.41 1.48 0.04 -1.26 -4.88 135.00 131.07 1ha6 s PRO 16 Ca 0.18 1.76 0.21 0.00 0.04 0.00 0.00 61.00 63.19 1ha6 s PRO 16 Cb 0.01 -2.51 1.16 0.00 0.04 0.00 0.00 34.50 33.20 1ha6 s PRO 16 CO 0.03 -0.42 1.61 0.66 0.04 0.00 0.00 177.00 178.92 1ha6 h SER 17 N 2.30 0.00 -0.03 6.66 4.64 -1.93 0.71 113.55 125.90 1ha6 h SER 17 Ca -0.49 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.84 1ha6 h SER 17 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1ha6 h SER 17 CO 0.61 0.00 0.06 0.08 -0.87 0.00 0.00 176.83 176.72 1ha6 h ARG 18 N 0.00 0.00 -0.01 4.77 -0.00 -1.98 0.15 114.38 117.32 1ha6 h ARG 18 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1ha6 h ARG 18 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.34 1ha6 h ARG 18 CO 0.00 0.00 -0.58 0.00 -0.00 0.00 0.00 179.97 179.39 1ha6 n ALA 19 N -2.19 3.72 -2.60 0.08 0.00 0.24 -4.94 120.51 114.83 1ha6 n ALA 19 Ca -0.02 -0.50 -0.42 0.00 0.00 0.00 0.00 53.44 52.50 1ha6 n ALA 19 Cb 0.14 -0.59 -0.06 0.00 0.00 0.00 0.00 19.45 18.95 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 -2.29 4.84 -0.16 0.00 1.09 0.04 -2.30 121.20 122.42 1ha6 s ILE 20 Ca 0.10 0.95 -0.20 0.00 -1.10 0.00 0.00 60.65 60.39 1ha6 s ILE 20 Cb 0.13 -4.10 -0.23 0.00 -1.06 0.00 0.00 42.46 37.20 1ha6 s ILE 20 CO 0.56 -0.25 0.40 1.62 -0.10 0.00 0.00 174.94 177.16 1ha6 h VAL 21 N 5.62 1.05 -4.46 2.92 3.04 -1.81 -3.47 116.25 119.13 1ha6 h VAL 21 Ca -0.25 -2.27 -0.21 0.00 -1.01 0.00 0.00 66.70 62.95 1ha6 h VAL 21 Cb 1.10 2.54 -0.14 0.00 -2.01 0.00 0.00 31.29 32.78 1ha6 h VAL 21 CO 0.85 0.50 -0.58 -0.83 -1.01 0.00 0.00 177.57 176.51 1ha6 s GLY 22 N -4.85 1.24 -0.19 3.17 0.00 -0.50 -5.01 107.32 101.17 1ha6 s GLY 22 Ca -0.25 -1.56 -0.36 0.00 0.00 0.00 0.00 44.72 42.56 1ha6 s GLY 22 CO 0.66 -1.31 1.38 -0.11 0.00 0.00 0.00 173.10 173.72 1ha6 s PHE 23 N -4.12 -0.02 0.22 1.90 -0.71 -1.26 0.01 117.98 113.99 1ha6 s PHE 23 Ca 0.34 0.00 -0.04 0.00 -1.04 0.00 0.00 56.93 56.19 1ha6 s PHE 23 Cb 0.06 0.51 -0.03 0.00 -1.21 0.00 0.00 43.02 42.35 1ha6 s PHE 23 CO 0.09 -0.06 0.22 0.99 -1.34 0.00 0.00 175.22 175.13 1ha6 s THR 24 N -2.10 0.00 -0.07 -4.49 2.01 0.14 -4.94 115.64 106.18 1ha6 s THR 24 Ca 0.13 -1.84 -0.11 0.00 0.31 0.00 0.00 61.69 60.18 1ha6 s THR 24 Cb 0.03 -2.42 -0.05 0.00 0.01 0.00 0.00 72.50 70.06 1ha6 s THR 24 CO -0.04 0.00 0.27 -0.13 -0.69 0.00 0.00 174.62 174.03 1ha6 s ARG 25 N -4.11 3.70 -0.38 4.92 1.81 -1.26 -0.88 118.95 122.75 1ha6 s ARG 25 Ca 0.35 0.12 0.01 0.00 -1.72 0.00 0.00 55.73 54.49 1ha6 s ARG 25 Cb 0.05 -3.22 0.12 0.00 -0.45 0.00 0.00 34.95 31.45 1ha6 s ARG 25 CO 0.11 0.71 0.16 -1.14 -0.68 0.00 0.00 175.30 174.47 1ha6 s GLN 26 N -0.96 1.12 1.26 3.54 0.74 -0.12 -4.82 119.66 120.42 1ha6 s GLN 26 Ca 0.19 -1.66 -0.18 0.00 0.05 0.00 0.00 55.36 53.76 1ha6 s GLN 26 Cb -0.14 -2.34 0.31 0.00 1.10 0.00 0.00 33.01 31.94 1ha6 s GLN 26 CO 0.08 -1.07 1.00 0.00 -0.55 0.00 0.00 175.29 174.76 1ha6 s MET 27 N 0.87 -1.69 -0.48 1.67 0.23 -1.26 -0.46 119.30 118.18 1ha6 s MET 27 Ca 0.14 0.38 -0.14 0.00 -1.03 0.00 0.00 55.69 55.04 1ha6 s MET 27 Cb -0.21 -1.50 0.10 0.00 -1.53 0.00 0.00 34.83 31.68 1ha6 s MET 27 CO -0.10 -4.12 0.40 0.00 -2.03 0.00 0.00 175.02 169.17 1ha6 s ALA 28 N -2.51 3.53 0.11 3.16 0.00 -1.21 -4.61 121.76 120.22 1ha6 s ALA 28 Ca 0.69 -2.29 0.00 0.00 0.00 0.00 0.00 51.96 50.36 1ha6 s ALA 28 Cb -0.18 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1ha6 s ALA 28 CO 0.60 -1.82 0.00 -0.25 0.00 0.00 0.00 175.76 174.29 1ha6 n ASP 29 N 5.14 -0.96 -1.93 0.00 8.00 0.82 -4.86 116.55 122.76 1ha6 n ASP 29 Ca -0.12 0.54 0.00 0.00 0.71 0.00 0.00 54.79 55.92 1ha6 n ASP 29 Cb 0.42 1.24 0.00 0.00 -0.02 0.00 0.00 41.12 42.76 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 -2.97 2.62 0.20 -1.24 2.13 -1.26 -4.71 120.64 115.41 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 -2.00 1.78 -2.95 4.31 0.00 -1.95 -3.37 119.26 115.09 1ha6 h ALA 31 Ca 0.00 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 54.27 1ha6 h ALA 31 Cb 0.00 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.71 1ha6 h ALA 31 CO 0.00 -0.53 -0.44 0.00 0.00 0.00 0.00 179.25 178.28 1ha6 n ASP 33 N 2.79 2.23 -4.59 0.00 -0.08 -1.26 -0.12 116.55 115.52 1ha6 n ASP 33 Ca -0.17 -1.62 -0.31 0.00 -1.51 0.00 0.00 54.79 51.19 1ha6 n ASP 33 Cb 0.53 0.37 -0.08 0.00 2.34 0.00 0.00 41.12 44.28 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 -2.34 1.06 -0.05 5.18 -4.36 -1.26 -4.64 121.20 114.79 1ha6 s ILE 34 Ca 0.20 -2.00 -0.15 0.00 -0.26 0.00 0.00 60.65 58.44 1ha6 s ILE 34 Cb 0.18 -2.26 -0.05 0.00 1.25 0.00 0.00 42.46 41.58 1ha6 s ILE 34 CO 0.50 0.00 0.40 0.20 0.24 0.00 0.00 174.94 176.29 1ha6 s ASN 35 N -3.80 6.73 0.07 4.36 0.01 -1.26 -3.29 114.94 117.76 1ha6 s ASN 35 Ca 0.12 0.87 -0.06 0.00 -0.71 0.00 0.00 52.86 53.08 1ha6 s ASN 35 Cb 0.02 -2.25 -0.01 0.00 0.41 0.00 0.00 41.25 39.42 1ha6 s ASN 35 CO 0.07 0.23 0.12 0.00 -1.51 0.00 0.00 177.10 176.01 1ha6 s ALA 36 N -0.54 -0.02 -0.39 0.60 0.00 0.39 -4.09 121.76 117.72 1ha6 s ALA 36 Ca 0.23 -0.76 -0.05 0.00 0.00 0.00 0.00 51.96 51.38 1ha6 s ALA 36 Cb -0.16 0.40 0.09 0.00 0.00 0.00 0.00 23.12 23.44 1ha6 s ALA 36 CO 0.11 -0.45 0.18 0.42 0.00 0.00 0.00 175.76 176.03 1ha6 s ILE 37 N -3.71 3.59 -0.86 0.00 -1.09 0.15 -0.95 121.20 118.33 1ha6 s ILE 37 Ca 0.04 -1.66 -0.24 0.00 -2.23 0.00 0.00 60.65 56.57 1ha6 s ILE 37 Cb 0.05 -3.27 -0.16 0.00 -1.58 0.00 0.00 42.46 37.50 1ha6 s ILE 37 CO -0.10 -0.50 1.90 -0.38 -1.23 0.00 0.00 174.94 174.64 1ha6 n ILE 38 N 4.72 1.56 -0.92 2.92 5.41 -0.06 -0.96 119.36 132.03 1ha6 n ILE 38 Ca -0.08 -1.48 -0.31 0.00 1.00 0.00 0.00 62.75 61.88 1ha6 n ILE 38 Cb 0.42 -2.21 0.14 0.00 -0.71 0.00 0.00 39.64 37.28 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 8.22 1.92 -0.43 1.39 0.08 0.17 0.23 117.98 129.56 1ha6 s PHE 39 Ca 0.64 1.71 0.08 0.00 0.12 0.00 0.00 56.93 59.49 1ha6 s PHE 39 Cb 0.08 -3.27 0.32 0.00 -0.57 0.00 0.00 43.02 39.58 1ha6 s PHE 39 CO 0.15 -2.51 0.95 0.72 -0.10 0.00 0.00 175.22 174.44 1ha6 n HIS 40 N -3.91 -1.79 -0.61 0.36 8.25 0.10 0.25 115.22 117.88 1ha6 n HIS 40 Ca 0.11 -2.73 -0.31 0.00 -0.26 0.00 0.00 57.72 54.53 1ha6 n HIS 40 Cb 0.52 0.86 0.20 0.00 1.12 0.00 0.00 29.99 32.70 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 0.46 0.00 0.83 1.59 -2.24 -1.22 -1.42 114.28 112.29 1ha6 n THR 41 Ca 0.13 -0.35 0.13 0.00 -2.27 0.00 0.00 64.05 61.68 1ha6 n THR 41 Cb 0.67 -0.72 0.35 0.00 -2.10 0.00 0.00 70.33 68.53 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 -2.96 0.12 -2.09 -0.78 2.85 -0.97 -4.04 118.16 110.29 1ha6 n LYS 42 Ca 0.01 0.05 -0.01 0.00 -1.05 0.00 0.00 58.31 57.32 1ha6 n LYS 42 Cb 0.60 -1.59 0.05 0.00 -0.65 0.00 0.00 35.03 33.44 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 -1.78 1.37 -3.64 -1.58 4.81 -1.26 -5.04 118.16 111.04 1ha6 n LYS 43 Ca 0.05 -3.07 -0.04 0.00 -0.87 0.00 0.00 58.31 54.38 1ha6 n LYS 43 Cb 0.38 -1.15 -0.07 0.00 0.02 0.00 0.00 35.03 34.21 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 -2.46 0.39 1.42 1.64 0.52 -1.26 -5.18 118.95 114.02 1ha6 s ARG 44 Ca 0.33 0.58 -0.23 0.00 -0.52 0.00 0.00 55.73 55.89 1ha6 s ARG 44 Cb 0.36 0.13 0.36 0.00 0.52 0.00 0.00 34.95 36.32 1ha6 s ARG 44 CO -0.08 -0.07 0.82 1.17 0.02 0.00 0.00 175.30 177.17 1ha6 n LYS 45 N 3.05 -4.64 -1.64 3.54 4.81 -1.26 -3.38 118.16 118.63 1ha6 n LYS 45 Ca -0.16 -1.38 -0.57 0.00 -0.87 0.00 0.00 58.31 55.33 1ha6 n LYS 45 Cb 0.57 -1.83 -0.07 0.00 0.02 0.00 0.00 35.03 33.71 1ha6 n LYS 45 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1ha6 n SER 46 N -5.50 1.61 -4.59 3.14 7.64 -1.26 -4.53 113.62 110.14 1ha6 n SER 46 Ca 0.13 1.12 -0.31 0.00 1.01 0.00 0.00 58.87 60.82 1ha6 n SER 46 Cb 0.57 -1.09 -0.10 0.00 -1.01 0.00 0.00 64.21 62.58 1ha6 n SER 46 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ha6 s VAL 47 N 1.88 3.51 -0.32 0.44 1.01 0.14 -4.91 120.40 122.15 1ha6 s VAL 47 Ca 0.93 -1.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 1ha6 s VAL 47 Cb -1.12 -2.58 0.06 0.00 0.00 0.00 0.00 36.38 32.74 1ha6 s VAL 47 CO 0.60 0.26 0.04 0.00 0.00 0.00 0.00 175.10 175.99 1ha6 s ALA 49 N 1.24 1.98 0.17 0.00 0.00 -0.13 0.39 121.76 125.41 1ha6 s ALA 49 Ca -0.03 -1.06 -0.33 0.00 0.00 0.00 0.00 51.96 50.54 1ha6 s ALA 49 Cb -0.20 -1.15 -0.16 0.00 0.00 0.00 0.00 23.12 21.61 1ha6 s ALA 49 CO -0.01 -0.53 1.21 -3.47 0.00 0.00 0.00 175.76 172.96 1ha6 n ASP 50 N 4.72 1.53 -2.42 0.00 2.03 -1.26 0.33 116.55 121.47 1ha6 n ASP 50 Ca -0.17 1.14 -0.15 0.00 0.52 0.00 0.00 54.79 56.13 1ha6 n ASP 50 Cb 0.49 -1.23 -0.10 0.00 -0.72 0.00 0.00 41.12 39.55 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 1.90 1.87 0.00 -0.67 -0.04 -1.26 -3.50 135.00 133.30 1ha6 n PRO 51 Ca 0.15 -1.04 0.00 0.00 -0.04 0.00 0.00 63.50 62.57 1ha6 n PRO 51 Cb 0.25 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 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 2.97 0.00 -0.59 0.54 4.76 -1.26 -4.87 118.16 119.71 1ha6 n LYS 52 Ca 0.40 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.53 1ha6 n LYS 52 Cb 0.56 -0.67 0.21 0.00 -1.84 0.00 0.00 35.03 33.29 1ha6 n LYS 52 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1ha6 n GLN 53 N -2.43 -1.93 -0.07 1.97 3.00 -1.23 -4.81 117.38 111.90 1ha6 n GLN 53 Ca 0.00 -0.54 -0.11 0.00 -0.01 0.00 0.00 57.00 56.34 1ha6 n GLN 53 Cb 0.35 -1.92 -0.10 0.00 0.00 0.00 0.00 30.24 28.56 1ha6 n GLN 53 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.06 174.11 1ha6 h ASN 54 N -2.33 -0.00 -0.89 1.08 -1.07 -1.98 -1.29 115.58 109.11 1ha6 h ASN 54 Ca -0.57 -0.79 0.09 0.00 0.07 0.00 0.00 56.30 55.10 1ha6 h ASN 54 Cb 1.34 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 37.53 1ha6 h ASN 54 CO 0.43 0.89 0.58 4.11 0.07 0.00 0.00 177.43 183.51 1ha6 h TRP 55 N -1.00 0.97 0.24 4.14 5.08 -1.94 0.37 115.95 123.82 1ha6 h TRP 55 Ca -0.00 0.03 -0.01 0.00 1.08 0.00 0.00 58.89 59.98 1ha6 h TRP 55 Cb 0.79 -0.32 0.00 0.00 -3.00 0.00 0.00 29.16 26.64 1ha6 h TRP 55 CO 0.22 0.47 -0.11 0.28 -1.28 0.00 0.00 178.44 178.01 1ha6 h VAL 56 N 0.92 0.00 -1.04 0.12 2.07 -1.90 -1.20 116.25 115.23 1ha6 h VAL 56 Ca 0.40 -0.05 0.27 0.00 0.82 0.00 0.00 66.70 68.15 1ha6 h VAL 56 Cb 0.35 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.04 1ha6 h VAL 56 CO -0.17 0.00 0.70 0.07 0.02 0.00 0.00 177.57 178.19 1ha6 h LYS 57 N -0.37 0.25 0.09 1.57 2.10 -0.63 0.34 116.57 119.93 1ha6 h LYS 57 Ca -0.03 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1ha6 h LYS 57 Cb 0.25 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.52 1ha6 h LYS 57 CO 0.05 0.17 -0.04 0.00 -2.00 0.00 0.00 179.45 177.63 1ha6 h ARG 58 N 0.26 -0.12 -0.15 0.07 3.08 -0.18 0.81 114.38 118.15 1ha6 h ARG 58 Ca 0.55 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.60 1ha6 h ARG 58 Cb 1.65 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.72 1ha6 h ARG 58 CO -0.18 0.07 0.04 0.00 -1.07 0.00 0.00 179.97 178.83 1ha6 h ALA 59 N 0.59 0.20 -0.94 0.04 0.00 0.20 -2.53 119.26 116.83 1ha6 h ALA 59 Ca -0.01 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.81 1ha6 h ALA 59 Cb 0.25 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 1ha6 h ALA 59 CO 0.02 -0.17 0.61 0.28 0.00 0.00 0.00 179.25 179.99 1ha6 h VAL 60 N 0.06 1.13 0.08 0.00 2.07 -0.39 -2.52 116.25 116.68 1ha6 h VAL 60 Ca 0.05 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.20 1ha6 h VAL 60 Cb 0.24 -0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 29.86 1ha6 h VAL 60 CO -0.00 0.21 -0.26 -1.13 0.02 0.00 0.00 177.57 176.41 1ha6 h ASN 61 N 1.14 -0.74 -0.65 0.57 -0.73 0.11 0.65 115.58 115.92 1ha6 h ASN 61 Ca 0.38 0.09 0.05 0.00 1.87 0.00 0.00 56.30 58.70 1ha6 h ASN 61 Cb 0.08 0.29 -0.04 0.00 0.27 0.00 0.00 38.32 38.92 1ha6 h ASN 61 CO -0.13 -0.34 0.43 -0.07 -0.37 0.00 0.00 177.43 176.95 1ha6 h LEU 62 N -0.44 0.61 -0.80 0.34 3.38 -1.13 0.88 115.31 118.15 1ha6 h LEU 62 Ca 0.04 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1ha6 h LEU 62 Cb 0.49 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1ha6 h LEU 62 CO -0.17 0.41 0.23 0.25 0.09 0.00 0.00 178.44 179.24 1ha6 h LEU 63 N 0.70 1.05 -1.21 1.67 6.46 -0.82 -1.80 115.31 121.35 1ha6 h LEU 63 Ca 0.27 -0.19 0.06 0.00 -0.12 0.00 0.00 57.88 57.90 1ha6 h LEU 63 Cb 0.20 -0.27 -0.05 0.00 -0.73 0.00 0.00 40.66 39.80 1ha6 h LEU 63 CO -0.08 0.97 0.55 -1.28 -0.62 0.00 0.00 178.44 177.99 1ha6 h SER 64 N 1.08 0.84 1.10 1.25 0.87 0.28 0.85 113.55 119.82 1ha6 h SER 64 Ca 0.24 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.67 1ha6 h SER 64 Cb 0.30 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 1ha6 h SER 64 CO -0.01 0.55 -0.60 -0.07 -0.53 0.00 0.00 176.83 176.17 1ha6 h LEU 65 N 0.96 0.00 0.12 2.23 3.38 -1.04 -2.83 115.31 118.13 1ha6 h LEU 65 Ca 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 1ha6 h LEU 65 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1ha6 h LEU 65 CO -0.13 0.60 -0.06 0.03 0.09 0.00 0.00 178.44 178.97 1ha6 h ARG 66 N 0.00 -0.15 -1.57 1.13 2.47 -0.18 -3.35 114.38 112.73 1ha6 h ARG 66 Ca -0.01 0.01 -0.30 0.00 -1.26 0.00 0.00 59.98 58.42 1ha6 h ARG 66 Cb 1.31 0.03 -0.13 0.00 -1.65 0.00 0.00 29.97 29.53 1ha6 h ARG 66 CO 0.08 -0.10 0.39 0.28 0.56 0.00 0.00 179.97 181.17 1ha6 n VAL 67 N -3.66 2.74 0.00 2.04 0.31 0.28 -4.23 118.33 115.80 1ha6 n VAL 67 Ca -0.02 -1.60 0.00 0.00 -0.01 0.00 0.00 64.34 62.71 1ha6 n VAL 67 Cb 0.06 -1.36 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 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 0.45 0.00 -0.99 5.55 4.81 -1.07 -4.89 118.16 122.03 1ha6 n LYS 68 Ca 0.28 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.37 1ha6 n LYS 68 Cb 0.57 0.00 0.08 0.00 0.02 0.00 0.00 35.03 35.70 1ha6 n LYS 68 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1ha6 n LYS 69 N 0.00 -0.05 0.00 1.64 5.02 -1.26 -4.23 118.16 119.28 1ha6 n LYS 69 Ca 0.00 0.02 0.09 0.00 -2.02 0.00 0.00 58.31 56.40 1ha6 n LYS 69 Cb 0.00 -1.58 0.53 0.00 -0.02 0.00 0.00 35.03 33.97 1ha6 n LYS 69 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76