#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 -4.66 0.00 7.64 -1.26 -5.14 113.62 110.20 1ha6 n SER 2 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 1ha6 n SER 2 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 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 0.00 6.80 -0.08 6.43 -0.87 -1.26 -4.72 114.94 121.24 1ha6 s ASN 3 Ca 0.00 0.98 -0.01 0.00 -1.57 0.00 0.00 52.86 52.27 1ha6 s ASN 3 Cb 0.00 -2.40 0.03 0.00 -0.02 0.00 0.00 41.25 38.86 1ha6 s ASN 3 CO 0.00 -0.34 -0.02 -0.31 -2.57 0.00 0.00 177.10 173.86 1ha6 s TYR 4 N 2.07 0.89 -0.33 2.20 1.51 -1.26 -5.02 117.35 117.40 1ha6 s TYR 4 Ca 0.33 -0.32 -0.02 0.00 -1.01 0.00 0.00 57.07 56.05 1ha6 s TYR 4 Cb -0.16 -0.89 0.14 0.00 -0.11 0.00 0.00 41.96 40.93 1ha6 s TYR 4 CO 0.11 -0.35 2.33 -3.47 -1.11 0.00 0.00 175.55 173.06 1ha6 n ASP 5 N 4.93 6.37 0.00 2.29 2.03 -1.26 -4.74 116.55 126.18 1ha6 n ASP 5 Ca -0.11 -3.06 0.00 0.00 0.52 0.00 0.00 54.79 52.14 1ha6 n ASP 5 Cb 0.50 -1.13 0.00 0.00 -0.72 0.00 0.00 41.12 39.77 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 -3.31 -0.67 0.00 0.00 0.00 -1.26 -4.76 117.00 107.00 1ha6 n LEU 8 Ca 0.08 1.68 0.00 0.00 0.00 0.00 0.00 56.01 57.77 1ha6 n LEU 8 Cb 0.47 -0.36 0.00 0.00 0.00 0.00 0.00 43.42 43.53 1ha6 n LEU 8 CO 0.34 -1.49 0.00 -0.24 0.00 0.00 0.00 177.39 176.00 1ha6 n SER 9 N -5.38 0.00 -4.48 1.96 2.88 -1.26 -5.05 113.62 102.29 1ha6 n SER 9 Ca 0.09 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.27 1ha6 n SER 9 Cb 0.37 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.90 1ha6 n SER 9 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ha6 n TYR 10 N -0.28 -0.67 -1.88 0.66 4.19 -1.26 -3.96 117.16 113.96 1ha6 n TYR 10 Ca 0.00 0.35 -0.33 0.00 3.31 0.00 0.00 57.90 61.22 1ha6 n TYR 10 Cb 0.00 -1.93 -0.04 0.00 0.49 0.00 0.00 39.34 37.87 1ha6 n TYR 10 CO 0.00 0.00 0.00 -1.50 0.91 0.00 0.00 176.86 176.27 1ha6 s ILE 11 N -1.94 3.25 0.64 2.97 2.07 0.19 -4.80 121.20 123.59 1ha6 s ILE 11 Ca 0.66 0.03 0.33 0.00 -1.41 0.00 0.00 60.65 60.25 1ha6 s ILE 11 Cb -0.34 -3.64 0.35 0.00 0.13 0.00 0.00 42.46 38.97 1ha6 s ILE 11 CO 0.58 -0.61 2.05 0.06 -1.91 0.00 0.00 174.94 175.11 1ha6 h GLN 12 N 15.27 0.00 -2.24 3.50 3.07 -1.88 -3.38 115.11 129.44 1ha6 h GLN 12 Ca -0.17 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.44 1ha6 h GLN 12 Cb 1.15 0.00 -0.29 0.00 0.08 0.00 0.00 27.48 28.42 1ha6 h GLN 12 CO 1.18 0.00 -0.43 0.99 0.09 0.00 0.00 178.83 180.66 1ha6 s THR 13 N -4.29 -0.61 -0.04 1.86 2.01 -1.26 -5.14 115.64 108.17 1ha6 s THR 13 Ca -0.04 0.07 -0.30 0.00 0.31 0.00 0.00 61.69 61.73 1ha6 s THR 13 Cb 0.12 -0.72 -0.05 0.00 0.01 0.00 0.00 72.50 71.86 1ha6 s THR 13 CO 0.39 -0.01 1.49 -2.16 -0.69 0.00 0.00 174.62 173.63 1ha6 s PRO 14 N 2.57 4.23 0.16 4.92 0.04 -1.26 -5.03 135.00 140.63 1ha6 s PRO 14 Ca 0.05 2.03 0.08 0.00 0.04 0.00 0.00 61.00 63.20 1ha6 s PRO 14 Cb -0.14 -3.74 -0.04 0.00 0.04 0.00 0.00 34.50 30.63 1ha6 s PRO 14 CO -0.14 -0.70 -0.09 -0.48 0.04 0.00 0.00 177.00 175.63 1ha6 s LEU 15 N 3.11 3.02 0.58 -3.56 2.34 -1.26 -5.11 118.68 117.80 1ha6 s LEU 15 Ca 0.67 -0.51 -0.18 0.00 0.06 0.00 0.00 54.13 54.16 1ha6 s LEU 15 Cb -0.31 -1.73 -0.04 0.00 -0.56 0.00 0.00 46.19 43.54 1ha6 s LEU 15 CO 0.26 0.12 1.15 -2.16 -1.06 0.00 0.00 176.35 174.66 1ha6 s PRO 16 N -2.67 3.13 0.21 1.48 0.04 -1.26 -4.88 135.00 131.05 1ha6 s PRO 16 Ca 0.24 1.64 0.14 0.00 0.04 0.00 0.00 61.00 63.06 1ha6 s PRO 16 Cb -0.09 -1.97 0.78 0.00 0.04 0.00 0.00 34.50 33.25 1ha6 s PRO 16 CO 0.15 -1.04 1.44 -1.13 0.04 0.00 0.00 177.00 176.46 1ha6 n SER 17 N -1.59 0.37 0.15 6.66 3.41 -1.26 -0.81 113.62 120.56 1ha6 n SER 17 Ca 0.12 0.67 0.12 0.00 -0.26 0.00 0.00 58.87 59.52 1ha6 n SER 17 Cb 0.51 -0.72 0.55 0.00 -0.26 0.00 0.00 64.21 64.29 1ha6 n SER 17 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1ha6 h ARG 18 N 0.00 0.00 -0.14 4.33 2.43 -1.99 0.12 114.38 119.13 1ha6 h ARG 18 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ha6 h ARG 18 Cb 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1ha6 h ARG 18 CO 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.46 1ha6 n ALA 19 N -1.80 2.41 -2.76 2.80 0.00 0.01 -4.96 120.51 116.21 1ha6 n ALA 19 Ca 0.01 -0.77 -0.37 0.00 0.00 0.00 0.00 53.44 52.30 1ha6 n ALA 19 Cb 0.16 -0.50 -0.11 0.00 0.00 0.00 0.00 19.45 18.99 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 -1.14 4.95 -0.24 0.00 1.09 0.03 -3.34 121.20 122.55 1ha6 s ILE 20 Ca 0.20 0.05 -0.07 0.00 -1.10 0.00 0.00 60.65 59.73 1ha6 s ILE 20 Cb 0.13 -3.34 -0.17 0.00 -1.06 0.00 0.00 42.46 38.02 1ha6 s ILE 20 CO 0.19 0.29 -0.14 1.33 -0.10 0.00 0.00 174.94 176.51 1ha6 n VAL 21 N 4.95 1.55 -3.83 2.92 0.24 -1.21 -4.99 118.33 117.96 1ha6 n VAL 21 Ca -0.15 -0.47 -0.12 0.00 -2.04 0.00 0.00 64.34 61.56 1ha6 n VAL 21 Cb 0.52 -1.67 -0.13 0.00 -1.47 0.00 0.00 33.84 31.08 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 -5.90 -0.06 0.25 7.63 0.00 -1.02 -5.05 107.32 103.17 1ha6 s GLY 22 Ca -0.34 0.31 -0.12 0.00 0.00 0.00 0.00 44.72 44.57 1ha6 s GLY 22 CO 0.59 0.31 0.46 -0.11 0.00 0.00 0.00 173.10 174.36 1ha6 s PHE 23 N 0.17 0.44 0.26 1.90 -0.71 -1.26 0.15 117.98 118.93 1ha6 s PHE 23 Ca -0.01 -0.79 -0.07 0.00 -1.04 0.00 0.00 56.93 55.02 1ha6 s PHE 23 Cb -0.02 0.14 -0.01 0.00 -1.21 0.00 0.00 43.02 41.92 1ha6 s PHE 23 CO -0.00 -0.99 0.38 0.99 -1.34 0.00 0.00 175.22 174.25 1ha6 s THR 24 N -3.95 0.00 -0.16 -4.49 2.01 0.16 -4.95 115.64 104.26 1ha6 s THR 24 Ca 0.24 -1.63 -0.07 0.00 0.31 0.00 0.00 61.69 60.53 1ha6 s THR 24 Cb -0.00 -2.40 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 1ha6 s THR 24 CO 0.10 0.00 0.08 -0.13 -0.69 0.00 0.00 174.62 173.98 1ha6 s ARG 25 N -3.82 3.75 -0.45 4.92 1.81 -1.26 -0.72 118.95 123.19 1ha6 s ARG 25 Ca 0.29 -0.28 0.03 0.00 -1.72 0.00 0.00 55.73 54.06 1ha6 s ARG 25 Cb 0.02 -3.19 0.12 0.00 -0.45 0.00 0.00 34.95 31.45 1ha6 s ARG 25 CO 0.13 0.46 0.19 -1.14 -0.68 0.00 0.00 175.30 174.26 1ha6 s GLN 26 N -0.14 1.63 0.66 3.54 0.74 -0.47 -4.83 119.66 120.79 1ha6 s GLN 26 Ca 0.08 -2.22 -0.15 0.00 0.05 0.00 0.00 55.36 53.12 1ha6 s GLN 26 Cb -0.12 -3.00 0.00 0.00 1.10 0.00 0.00 33.01 30.99 1ha6 s GLN 26 CO 0.01 -1.07 1.12 -1.64 -0.55 0.00 0.00 175.29 173.16 1ha6 s MET 27 N 0.25 2.76 -0.81 1.67 -1.94 -1.26 -1.36 119.30 118.62 1ha6 s MET 27 Ca 0.15 1.43 -0.21 0.00 -1.71 0.00 0.00 55.69 55.36 1ha6 s MET 27 Cb -0.23 -1.94 0.10 0.00 2.01 0.00 0.00 34.83 34.76 1ha6 s MET 27 CO -0.04 -1.29 1.07 0.00 -0.01 0.00 0.00 175.02 174.75 1ha6 s ALA 28 N -2.28 3.21 0.00 3.03 0.00 -1.22 -4.21 121.76 120.28 1ha6 s ALA 28 Ca 0.68 -2.30 0.00 0.00 0.00 0.00 0.00 51.96 50.34 1ha6 s ALA 28 Cb -0.21 -3.99 0.00 0.00 0.00 0.00 0.00 23.12 18.92 1ha6 s ALA 28 CO 0.41 -2.92 0.00 -0.25 0.00 0.00 0.00 175.76 173.00 1ha6 n ASP 29 N 7.24 0.00 -1.60 0.00 9.92 0.12 -4.87 116.55 127.37 1ha6 n ASP 29 Ca 0.11 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.37 1ha6 n ASP 29 Cb 0.47 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.95 1ha6 n ASP 29 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1ha6 n GLU 30 N 0.00 2.70 0.10 -1.24 2.13 -1.26 -4.72 120.64 118.35 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 0.73 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 2.08 -2.67 4.31 0.00 -2.01 -3.38 119.26 115.60 1ha6 h ALA 31 Ca 0.00 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 54.26 1ha6 h ALA 31 Cb 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1ha6 h ALA 31 CO 0.00 -0.69 -0.34 0.00 0.00 0.00 0.00 179.25 178.23 1ha6 n ASP 33 N 1.75 1.27 -4.58 0.00 4.64 -1.26 0.16 116.55 118.53 1ha6 n ASP 33 Ca -0.16 -1.13 -0.27 0.00 -1.38 0.00 0.00 54.79 51.85 1ha6 n ASP 33 Cb 0.53 0.73 -0.11 0.00 -1.04 0.00 0.00 41.12 41.23 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 -2.29 1.97 -0.21 5.18 -4.36 -1.26 -4.56 121.20 115.66 1ha6 s ILE 34 Ca 0.11 -2.05 -0.13 0.00 -0.26 0.00 0.00 60.65 58.31 1ha6 s ILE 34 Cb 0.13 -2.87 -0.04 0.00 1.25 0.00 0.00 42.46 40.92 1ha6 s ILE 34 CO 0.56 -0.06 0.28 0.20 0.24 0.00 0.00 174.94 176.16 1ha6 s ASN 35 N -3.65 6.30 -0.12 4.36 0.01 -1.26 -3.44 114.94 117.14 1ha6 s ASN 35 Ca 0.34 0.34 -0.13 0.00 -0.71 0.00 0.00 52.86 52.71 1ha6 s ASN 35 Cb 0.08 -2.17 0.03 0.00 0.41 0.00 0.00 41.25 39.60 1ha6 s ASN 35 CO 0.17 0.00 0.35 0.00 -1.51 0.00 0.00 177.10 176.11 1ha6 s ALA 36 N 1.11 -0.86 -0.47 0.60 0.00 -0.46 -3.98 121.76 117.69 1ha6 s ALA 36 Ca 0.14 0.91 -0.22 0.00 0.00 0.00 0.00 51.96 52.79 1ha6 s ALA 36 Cb -0.14 -0.49 0.03 0.00 0.00 0.00 0.00 23.12 22.52 1ha6 s ALA 36 CO 0.06 -0.18 0.72 0.42 0.00 0.00 0.00 175.76 176.78 1ha6 s ILE 37 N -0.02 4.73 -1.10 0.00 -1.09 0.15 -1.37 121.20 122.50 1ha6 s ILE 37 Ca -0.02 0.11 -0.24 0.00 -2.23 0.00 0.00 60.65 58.27 1ha6 s ILE 37 Cb -0.03 -4.30 -0.14 0.00 -1.58 0.00 0.00 42.46 36.41 1ha6 s ILE 37 CO 0.01 -0.74 1.96 -0.38 -1.23 0.00 0.00 174.94 174.56 1ha6 n ILE 38 N 5.93 1.43 -1.56 2.92 5.41 0.10 -1.12 119.36 132.47 1ha6 n ILE 38 Ca -0.01 -1.46 -0.31 0.00 1.00 0.00 0.00 62.75 61.97 1ha6 n ILE 38 Cb 0.47 -2.14 0.05 0.00 -0.71 0.00 0.00 39.64 37.32 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 11.97 3.09 -0.47 1.39 0.08 0.21 0.36 117.98 134.61 1ha6 s PHE 39 Ca 0.71 1.42 0.06 0.00 0.12 0.00 0.00 56.93 59.25 1ha6 s PHE 39 Cb -0.00 -2.89 0.22 0.00 -0.57 0.00 0.00 43.02 39.78 1ha6 s PHE 39 CO 0.15 -1.26 0.72 0.72 -0.10 0.00 0.00 175.22 175.45 1ha6 n HIS 40 N -3.15 -2.65 -0.86 0.36 8.25 0.12 0.27 115.22 117.57 1ha6 n HIS 40 Ca 0.08 -2.17 -0.29 0.00 -0.26 0.00 0.00 57.72 55.08 1ha6 n HIS 40 Cb 0.53 1.04 0.23 0.00 1.12 0.00 0.00 29.99 32.91 1ha6 n HIS 40 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1ha6 s THR 41 N 0.31 1.82 -1.63 1.59 -4.23 -1.18 -2.42 115.64 109.91 1ha6 s THR 41 Ca 0.32 0.00 0.28 0.00 -1.18 0.00 0.00 61.69 61.11 1ha6 s THR 41 Cb 0.14 -2.31 0.38 0.00 1.34 0.00 0.00 72.50 72.05 1ha6 s THR 41 CO -0.17 0.00 1.77 1.17 -0.54 0.00 0.00 174.62 176.85 1ha6 n LYS 42 N -4.73 0.68 -2.08 3.99 3.00 -1.21 -3.88 118.16 113.92 1ha6 n LYS 42 Ca 0.07 -0.28 0.01 0.00 -0.00 0.00 0.00 58.31 58.10 1ha6 n LYS 42 Cb 0.57 -1.49 0.04 0.00 0.00 0.00 0.00 35.03 34.15 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 -0.91 1.08 -3.61 1.64 3.00 -1.26 -5.04 118.16 113.05 1ha6 n LYS 43 Ca 0.13 -2.88 -0.01 0.00 -0.00 0.00 0.00 58.31 55.56 1ha6 n LYS 43 Cb 0.30 -0.95 -0.06 0.00 0.00 0.00 0.00 35.03 34.32 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 -2.10 0.29 1.02 1.64 3.52 -1.25 -5.18 118.95 116.88 1ha6 s ARG 44 Ca 0.32 0.52 -0.17 0.00 -0.13 0.00 0.00 55.73 56.27 1ha6 s ARG 44 Cb 0.36 0.10 0.26 0.00 -1.56 0.00 0.00 34.95 34.11 1ha6 s ARG 44 CO -0.09 -0.06 0.65 1.63 -0.81 0.00 0.00 175.30 176.61 1ha6 n LYS 45 N 3.72 -3.79 -1.21 5.12 4.01 -1.26 -3.08 118.16 121.68 1ha6 n LYS 45 Ca -0.17 -1.08 -0.49 0.00 -0.51 0.00 0.00 58.31 56.06 1ha6 n LYS 45 Cb 0.57 -1.32 -0.12 0.00 -0.51 0.00 0.00 35.03 33.65 1ha6 n LYS 45 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 1ha6 n SER 46 N -4.90 0.55 -4.78 4.39 3.41 -1.26 -4.59 113.62 106.45 1ha6 n SER 46 Ca 0.10 0.48 -0.34 0.00 -0.26 0.00 0.00 58.87 58.85 1ha6 n SER 46 Cb 0.43 -0.82 -0.07 0.00 -0.26 0.00 0.00 64.21 63.48 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 6.29 4.78 -0.19 -3.33 1.01 0.14 -4.83 120.40 124.28 1ha6 s VAL 47 Ca 1.14 -0.28 -0.00 0.00 0.00 0.00 0.00 61.98 62.84 1ha6 s VAL 47 Cb -1.30 -3.13 0.05 0.00 0.00 0.00 0.00 36.38 32.00 1ha6 s VAL 47 CO 0.55 0.44 -0.06 0.00 0.00 0.00 0.00 175.10 176.04 1ha6 s ALA 49 N 1.55 2.22 0.07 0.00 0.00 -0.28 0.57 121.76 125.89 1ha6 s ALA 49 Ca -0.01 -1.30 -0.36 0.00 0.00 0.00 0.00 51.96 50.29 1ha6 s ALA 49 Cb -0.16 -1.29 -0.16 0.00 0.00 0.00 0.00 23.12 21.51 1ha6 s ALA 49 CO -0.08 -0.70 1.45 -3.47 0.00 0.00 0.00 175.76 172.97 1ha6 n ASP 50 N 4.62 2.15 -2.28 0.00 2.03 -1.26 0.35 116.55 122.16 1ha6 n ASP 50 Ca -0.17 1.10 -0.10 0.00 0.52 0.00 0.00 54.79 56.14 1ha6 n ASP 50 Cb 0.47 -1.26 -0.10 0.00 -0.72 0.00 0.00 41.12 39.51 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 3.11 1.46 -0.04 -0.67 -0.04 -1.26 -3.55 135.00 134.01 1ha6 n PRO 51 Ca 0.19 -0.77 -0.05 0.00 -0.04 0.00 0.00 63.50 62.83 1ha6 n PRO 51 Cb 0.22 -1.91 -0.06 0.00 -0.04 0.00 0.00 33.50 31.71 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 2.81 2.01 -2.03 0.54 4.76 -1.26 -4.87 118.16 120.13 1ha6 n LYS 52 Ca 0.31 0.01 -0.29 0.00 -2.87 0.00 0.00 58.31 55.48 1ha6 n LYS 52 Cb 0.57 -1.21 0.05 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 -2.20 2.69 -0.03 1.97 -0.21 -1.23 -4.98 119.66 115.66 1ha6 s GLN 53 Ca -0.07 0.25 -0.20 0.00 0.02 0.00 0.00 55.36 55.36 1ha6 s GLN 53 Cb 0.03 -2.08 -0.32 0.00 1.00 0.00 0.00 33.01 31.64 1ha6 s GLN 53 CO 0.31 -1.06 0.89 -0.91 -2.12 0.00 0.00 175.29 172.41 1ha6 h ASN 54 N -0.60 0.56 -0.63 5.90 4.21 -1.96 -2.21 115.58 120.85 1ha6 h ASN 54 Ca -0.45 -0.94 0.08 0.00 1.21 0.00 0.00 56.30 56.20 1ha6 h ASN 54 Cb 1.27 -0.18 -0.07 0.00 -1.12 0.00 0.00 38.32 38.22 1ha6 h ASN 54 CO 0.63 1.49 0.29 4.11 -1.29 0.00 0.00 177.43 182.66 1ha6 h TRP 55 N -0.24 0.52 0.39 1.19 5.08 -1.95 0.65 115.95 121.59 1ha6 h TRP 55 Ca -0.18 0.03 -0.02 0.00 1.08 0.00 0.00 58.89 59.79 1ha6 h TRP 55 Cb 1.78 -0.14 0.00 0.00 -3.00 0.00 0.00 29.16 27.81 1ha6 h TRP 55 CO 0.18 0.19 -0.19 0.28 -1.28 0.00 0.00 178.44 177.62 1ha6 h VAL 56 N 0.52 0.00 -0.62 0.12 2.07 -1.90 -2.10 116.25 114.34 1ha6 h VAL 56 Ca 0.31 -0.01 0.18 0.00 0.82 0.00 0.00 66.70 67.99 1ha6 h VAL 56 Cb 0.31 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 1ha6 h VAL 56 CO -0.25 0.00 0.56 0.11 0.02 0.00 0.00 177.57 178.01 1ha6 h LYS 57 N -0.54 0.00 -0.07 1.57 1.79 -1.03 0.37 116.57 118.67 1ha6 h LYS 57 Ca -0.05 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 1ha6 h LYS 57 Cb 0.40 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1ha6 h LYS 57 CO 0.09 0.00 0.01 0.00 -1.08 0.00 0.00 179.45 178.47 1ha6 h ARG 58 N 0.00 0.11 -0.29 3.15 3.08 0.56 0.81 114.38 121.79 1ha6 h ARG 58 Ca 0.29 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.28 1ha6 h ARG 58 Cb 1.41 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.44 1ha6 h ARG 58 CO -0.00 0.33 0.03 0.00 -1.07 0.00 0.00 179.97 179.26 1ha6 h ALA 59 N 0.77 0.39 -0.37 0.04 0.00 -0.31 -2.22 119.26 117.56 1ha6 h ALA 59 Ca 0.02 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ha6 h ALA 59 Cb 0.28 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1ha6 h ALA 59 CO 0.00 0.10 0.21 0.28 0.00 0.00 0.00 179.25 179.84 1ha6 h VAL 60 N 0.30 1.11 0.53 0.00 2.07 -0.94 -2.66 116.25 116.67 1ha6 h VAL 60 Ca 0.09 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1ha6 h VAL 60 Cb 0.37 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1ha6 h VAL 60 CO 0.01 0.12 -0.28 -1.13 0.02 0.00 0.00 177.57 176.31 1ha6 h ASN 61 N 0.50 -0.67 -0.83 0.57 -0.73 0.12 0.72 115.58 115.27 1ha6 h ASN 61 Ca 0.13 0.03 0.11 0.00 1.87 0.00 0.00 56.30 58.45 1ha6 h ASN 61 Cb 0.00 0.18 -0.06 0.00 0.27 0.00 0.00 38.32 38.72 1ha6 h ASN 61 CO -0.02 -0.46 0.54 -0.07 -0.37 0.00 0.00 177.43 177.05 1ha6 h LEU 62 N -0.74 0.65 -0.82 0.34 4.07 -1.27 0.91 115.31 118.45 1ha6 h LEU 62 Ca -0.07 0.02 -0.09 0.00 0.08 0.00 0.00 57.88 57.83 1ha6 h LEU 62 Cb 0.58 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.20 1ha6 h LEU 62 CO 0.10 0.37 -0.04 0.25 -1.08 0.00 0.00 178.44 178.04 1ha6 h LEU 63 N 0.71 0.83 -1.32 1.67 6.46 -1.00 -2.25 115.31 120.41 1ha6 h LEU 63 Ca 0.39 -0.22 0.01 0.00 -0.12 0.00 0.00 57.88 57.94 1ha6 h LEU 63 Cb 0.55 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.22 1ha6 h LEU 63 CO -0.16 0.91 0.47 -1.28 -0.62 0.00 0.00 178.44 177.76 1ha6 h SER 64 N 0.78 0.79 0.84 1.25 0.87 0.30 1.00 113.55 119.37 1ha6 h SER 64 Ca 0.14 -0.02 -0.14 0.00 -1.23 0.00 0.00 61.79 60.55 1ha6 h SER 64 Cb 0.52 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 1ha6 h SER 64 CO 0.03 0.56 -0.64 -0.07 -0.53 0.00 0.00 176.83 176.18 1ha6 h LEU 65 N 0.93 0.00 0.02 2.23 3.38 -1.17 -2.39 115.31 118.30 1ha6 h LEU 65 Ca 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 1ha6 h LEU 65 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1ha6 h LEU 65 CO -0.06 0.64 -0.01 -0.09 0.09 0.00 0.00 178.44 179.01 1ha6 h ARG 66 N 0.00 -0.02 -1.78 1.13 1.12 -0.48 -3.38 114.38 110.97 1ha6 h ARG 66 Ca -0.01 0.00 -0.19 0.00 -1.11 0.00 0.00 59.98 58.68 1ha6 h ARG 66 Cb 1.24 0.01 -0.08 0.00 -0.01 0.00 0.00 29.97 31.12 1ha6 h ARG 66 CO 0.08 -0.02 0.19 0.28 -3.11 0.00 0.00 179.97 177.40 1ha6 n VAL 67 N -2.46 2.50 0.00 0.20 0.31 0.33 -4.74 118.33 114.47 1ha6 n VAL 67 Ca -0.00 -1.24 0.00 0.00 -0.01 0.00 0.00 64.34 63.09 1ha6 n VAL 67 Cb 0.01 -1.46 0.00 0.00 -0.91 0.00 0.00 33.84 31.48 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 1.00 0.00 -1.68 5.55 5.02 -0.90 -4.85 118.16 122.29 1ha6 n LYS 68 Ca 0.19 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.28 1ha6 n LYS 68 Cb 0.57 0.00 0.13 0.00 -0.02 0.00 0.00 35.03 35.71 1ha6 n LYS 68 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1ha6 n LYS 69 N -0.37 -0.58 0.00 1.97 4.81 -1.26 -3.99 118.16 118.75 1ha6 n LYS 69 Ca 0.00 -1.74 0.00 0.00 -0.87 0.00 0.00 58.31 55.70 1ha6 n LYS 69 Cb 0.00 -0.83 0.00 0.00 0.02 0.00 0.00 35.03 34.22 1ha6 n LYS 69 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57