#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 0.60 -3.63 0.00 2.88 -1.26 -5.08 113.62 107.14 1ha6 n SER 2 Ca 0.00 -1.88 -0.10 0.00 -1.33 0.00 0.00 58.87 55.56 1ha6 n SER 2 Cb 0.00 -0.16 -0.07 0.00 -0.75 0.00 0.00 64.21 63.24 1ha6 n SER 2 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1ha6 s ASN 3 N -1.01 -0.46 -0.36 -3.46 2.47 -1.26 -5.14 114.94 105.71 1ha6 s ASN 3 Ca 0.05 0.85 -0.02 0.00 0.42 0.00 0.00 52.86 54.16 1ha6 s ASN 3 Cb 0.05 0.84 0.09 0.00 -1.45 0.00 0.00 41.25 40.77 1ha6 s ASN 3 CO 0.00 -0.19 0.12 -0.31 -3.72 0.00 0.00 177.10 173.00 1ha6 s TYR 4 N 0.05 3.50 -0.82 0.43 2.02 -1.26 -4.98 117.35 116.29 1ha6 s TYR 4 Ca 0.02 -2.28 -0.02 0.00 -0.37 0.00 0.00 57.07 54.42 1ha6 s TYR 4 Cb -0.04 -2.80 0.30 0.00 -0.40 0.00 0.00 41.96 39.02 1ha6 s TYR 4 CO -0.05 -0.91 2.12 -3.47 -1.57 0.00 0.00 175.55 171.68 1ha6 n ASP 5 N 4.57 7.38 0.01 2.29 2.03 -1.26 -4.75 116.55 126.82 1ha6 n ASP 5 Ca -0.05 -3.73 -0.02 0.00 0.52 0.00 0.00 54.79 51.51 1ha6 n ASP 5 Cb 0.42 -1.11 -0.01 0.00 -0.72 0.00 0.00 41.12 39.71 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 0.12 0.31 -3.65 0.00 -0.00 -1.26 -4.42 117.00 108.10 1ha6 n LEU 8 Ca 0.12 1.52 -0.03 0.00 -0.00 0.00 0.00 56.01 57.62 1ha6 n LEU 8 Cb 0.48 -0.74 -0.07 0.00 -0.00 0.00 0.00 43.42 43.09 1ha6 n LEU 8 CO 0.50 -1.70 1.12 -0.44 -0.00 0.00 0.00 177.39 176.87 1ha6 s SER 9 N -4.52 -0.09 0.56 1.96 0.01 -1.26 -5.12 113.70 105.24 1ha6 s SER 9 Ca -0.08 0.17 -0.18 0.00 1.31 0.00 0.00 55.95 57.17 1ha6 s SER 9 Cb 0.31 0.17 -0.14 0.00 0.21 0.00 0.00 66.02 66.58 1ha6 s SER 9 CO 0.74 -0.04 -0.06 0.00 0.41 0.00 0.00 173.24 174.29 1ha6 n TYR 10 N 1.50 -2.68 -1.55 2.43 4.19 -1.26 -4.40 117.16 115.39 1ha6 n TYR 10 Ca -0.09 0.41 -0.18 0.00 3.31 0.00 0.00 57.90 61.35 1ha6 n TYR 10 Cb 0.57 -1.72 -0.08 0.00 0.49 0.00 0.00 39.34 38.61 1ha6 n TYR 10 CO 0.00 0.00 0.00 1.51 0.91 0.00 0.00 176.86 179.28 1ha6 n ILE 11 N -1.65 -0.01 0.31 2.97 0.13 0.38 -4.77 119.36 116.72 1ha6 n ILE 11 Ca 0.08 -0.54 0.19 0.00 -1.10 0.00 0.00 62.75 61.38 1ha6 n ILE 11 Cb 0.48 -1.95 1.03 0.00 -0.84 0.00 0.00 39.64 38.36 1ha6 n ILE 11 CO 0.00 0.00 0.00 1.56 2.80 0.00 0.00 176.55 180.91 1ha6 h GLN 12 N 13.67 0.00 -2.33 9.51 1.08 -1.89 -3.36 115.11 131.78 1ha6 h GLN 12 Ca -0.04 0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 56.79 1ha6 h GLN 12 Cb 1.06 0.00 -0.35 0.00 -0.05 0.00 0.00 27.48 28.14 1ha6 h GLN 12 CO 1.08 0.00 -0.67 0.99 -0.95 0.00 0.00 178.83 179.28 1ha6 s THR 13 N -4.36 -0.32 -0.48 -0.54 2.01 -1.26 -5.11 115.64 105.58 1ha6 s THR 13 Ca -0.05 -0.51 -0.27 0.00 0.31 0.00 0.00 61.69 61.18 1ha6 s THR 13 Cb 0.13 -0.95 -0.03 0.00 0.01 0.00 0.00 72.50 71.66 1ha6 s THR 13 CO 0.46 -0.50 1.95 -2.16 -0.69 0.00 0.00 174.62 173.67 1ha6 s PRO 14 N 2.30 2.80 0.21 4.92 0.04 -1.26 -5.00 135.00 139.01 1ha6 s PRO 14 Ca 0.09 1.09 -0.04 0.00 0.04 0.00 0.00 61.00 62.18 1ha6 s PRO 14 Cb -0.15 -4.35 -0.05 0.00 0.04 0.00 0.00 34.50 29.99 1ha6 s PRO 14 CO -0.32 -2.49 0.44 -0.48 0.04 0.00 0.00 177.00 174.19 1ha6 s LEU 15 N 8.81 4.19 0.60 -3.56 2.34 -1.26 -5.08 118.68 124.73 1ha6 s LEU 15 Ca 0.78 0.59 -0.17 0.00 0.06 0.00 0.00 54.13 55.39 1ha6 s LEU 15 Cb -0.18 -3.35 -0.03 0.00 -0.56 0.00 0.00 46.19 42.07 1ha6 s LEU 15 CO 0.27 -0.06 1.12 -2.16 -1.06 0.00 0.00 176.35 174.46 1ha6 s PRO 16 N -3.12 3.06 0.39 1.48 0.04 -1.26 -4.90 135.00 130.68 1ha6 s PRO 16 Ca 0.41 1.51 0.24 0.00 0.04 0.00 0.00 61.00 63.20 1ha6 s PRO 16 Cb -0.11 -1.97 1.29 0.00 0.04 0.00 0.00 34.50 33.75 1ha6 s PRO 16 CO 0.27 -1.07 1.71 0.66 0.04 0.00 0.00 177.00 178.61 1ha6 h SER 17 N 0.60 0.00 -0.02 6.66 4.64 -1.94 -0.49 113.55 123.00 1ha6 h SER 17 Ca -0.48 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.84 1ha6 h SER 17 Cb 1.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1ha6 h SER 17 CO 0.55 0.00 0.03 0.08 -0.87 0.00 0.00 176.83 176.63 1ha6 h ARG 18 N 0.00 0.00 -0.00 4.77 -0.00 -1.99 0.01 114.38 117.17 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 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.12 1ha6 h ARG 18 CO 0.00 0.00 -0.86 0.00 -0.00 0.00 0.00 179.97 179.11 1ha6 n ALA 19 N -2.22 4.45 -2.55 0.08 0.00 -0.19 -4.91 120.51 115.17 1ha6 n ALA 19 Ca -0.02 -0.56 -0.42 0.00 0.00 0.00 0.00 53.44 52.43 1ha6 n ALA 19 Cb 0.11 -0.83 -0.07 0.00 0.00 0.00 0.00 19.45 18.66 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 -2.95 4.93 -0.18 0.00 1.09 -0.01 -3.35 121.20 120.73 1ha6 s ILE 20 Ca 0.10 0.34 -0.07 0.00 -1.10 0.00 0.00 60.65 59.91 1ha6 s ILE 20 Cb 0.16 -4.07 -0.22 0.00 -1.06 0.00 0.00 42.46 37.28 1ha6 s ILE 20 CO 0.81 -0.36 0.13 1.33 -0.10 0.00 0.00 174.94 176.76 1ha6 n VAL 21 N 5.59 1.65 -3.85 2.92 0.24 -1.15 -4.97 118.33 118.76 1ha6 n VAL 21 Ca -0.03 -0.52 -0.12 0.00 -2.04 0.00 0.00 64.34 61.63 1ha6 n VAL 21 Cb 0.48 -1.71 -0.13 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 -5.72 -0.04 0.26 7.63 0.00 -0.93 -5.05 107.32 103.48 1ha6 s GLY 22 Ca -0.28 0.17 -0.19 0.00 0.00 0.00 0.00 44.72 44.42 1ha6 s GLY 22 CO 0.68 0.12 0.64 -0.11 0.00 0.00 0.00 173.10 174.43 1ha6 s PHE 23 N -0.18 -0.05 0.08 1.90 -0.71 -1.26 0.11 117.98 117.87 1ha6 s PHE 23 Ca -0.02 -0.37 -0.04 0.00 -1.04 0.00 0.00 56.93 55.45 1ha6 s PHE 23 Cb -0.02 0.55 -0.02 0.00 -1.21 0.00 0.00 43.02 42.31 1ha6 s PHE 23 CO 0.00 -1.14 0.08 0.99 -1.34 0.00 0.00 175.22 173.81 1ha6 s THR 24 N -3.94 0.17 0.18 -4.49 2.01 0.75 -4.99 115.64 105.33 1ha6 s THR 24 Ca 0.14 -1.55 -0.16 0.00 0.31 0.00 0.00 61.69 60.42 1ha6 s THR 24 Cb -0.04 -1.51 -0.07 0.00 0.01 0.00 0.00 72.50 70.88 1ha6 s THR 24 CO 0.06 -0.78 0.61 -0.13 -0.69 0.00 0.00 174.62 173.69 1ha6 s ARG 25 N -3.91 4.07 -0.03 4.92 0.52 -1.26 -1.11 118.95 122.14 1ha6 s ARG 25 Ca 0.08 0.62 0.02 0.00 -0.52 0.00 0.00 55.73 55.94 1ha6 s ARG 25 Cb 0.06 -2.90 0.01 0.00 0.52 0.00 0.00 34.95 32.64 1ha6 s ARG 25 CO -0.09 0.44 -0.09 -1.14 0.02 0.00 0.00 175.30 174.44 1ha6 s GLN 26 N -1.99 1.06 0.08 3.54 -0.44 -0.36 -4.85 119.66 116.70 1ha6 s GLN 26 Ca 0.40 -0.30 0.10 0.00 -2.50 0.00 0.00 55.36 53.05 1ha6 s GLN 26 Cb -0.15 -0.97 -0.03 0.00 -1.64 0.00 0.00 33.01 30.21 1ha6 s GLN 26 CO 0.20 0.08 -0.26 -1.64 0.50 0.00 0.00 175.29 174.17 1ha6 s MET 27 N 0.33 1.68 -0.85 1.67 -1.94 -1.26 -1.73 119.30 117.19 1ha6 s MET 27 Ca -0.06 -1.19 -0.25 0.00 -1.71 0.00 0.00 55.69 52.49 1ha6 s MET 27 Cb -0.10 -1.97 -0.01 0.00 2.01 0.00 0.00 34.83 34.76 1ha6 s MET 27 CO 0.01 0.49 1.72 0.00 -0.01 0.00 0.00 175.02 177.23 1ha6 s ALA 28 N -0.92 2.17 0.00 3.03 0.00 -1.26 -3.70 121.76 121.08 1ha6 s ALA 28 Ca 0.13 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 50.58 1ha6 s ALA 28 Cb -0.10 -4.46 0.00 0.00 0.00 0.00 0.00 23.12 18.56 1ha6 s ALA 28 CO 0.04 -4.13 0.00 -0.25 0.00 0.00 0.00 175.76 171.42 1ha6 n ASP 29 N 11.84 0.00 -2.22 0.00 8.00 0.44 -4.88 116.55 129.72 1ha6 n ASP 29 Ca 0.30 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.80 1ha6 n ASP 29 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 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 2.64 0.33 -1.24 2.13 -1.24 -4.75 120.64 118.51 1ha6 n GLU 30 Ca 0.00 0.00 0.16 0.00 0.66 0.00 0.00 57.16 57.98 1ha6 n GLU 30 Cb 0.00 0.00 0.87 0.00 0.27 0.00 0.00 31.44 32.58 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 1.31 -3.34 4.31 0.00 -2.02 -3.38 119.26 114.14 1ha6 h ALA 31 Ca 0.00 -0.00 -0.68 0.00 0.00 0.00 0.00 54.91 54.23 1ha6 h ALA 31 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.64 1ha6 h ALA 31 CO 0.00 -0.30 -0.63 0.00 0.00 0.00 0.00 179.25 178.33 1ha6 n ASP 33 N 2.16 1.82 -4.24 0.00 -0.08 -1.26 -0.42 116.55 114.52 1ha6 n ASP 33 Ca -0.19 -1.41 -0.24 0.00 -1.51 0.00 0.00 54.79 51.45 1ha6 n ASP 33 Cb 0.54 0.42 -0.13 0.00 2.34 0.00 0.00 41.12 44.29 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 -1.99 1.56 0.39 5.18 -4.36 -1.26 -4.57 121.20 116.13 1ha6 s ILE 34 Ca 0.15 -1.31 -0.24 0.00 -0.26 0.00 0.00 60.65 59.00 1ha6 s ILE 34 Cb 0.14 -1.39 -0.09 0.00 1.25 0.00 0.00 42.46 42.37 1ha6 s ILE 34 CO 0.43 0.04 1.02 0.20 0.24 0.00 0.00 174.94 176.86 1ha6 s ASN 35 N -1.49 6.90 0.23 4.36 0.01 -1.26 -4.23 114.94 119.46 1ha6 s ASN 35 Ca 0.05 1.96 -0.22 0.00 -0.71 0.00 0.00 52.86 53.94 1ha6 s ASN 35 Cb -0.09 -2.58 0.05 0.00 0.41 0.00 0.00 41.25 39.04 1ha6 s ASN 35 CO 0.03 -0.39 0.87 0.00 -1.51 0.00 0.00 177.10 176.10 1ha6 s ALA 36 N -1.70 -1.39 -0.25 0.60 0.00 -0.71 -4.07 121.76 114.24 1ha6 s ALA 36 Ca 0.57 -0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.36 1ha6 s ALA 36 Cb -0.20 0.73 0.06 0.00 0.00 0.00 0.00 23.12 23.71 1ha6 s ALA 36 CO 0.25 -1.04 -0.09 0.42 0.00 0.00 0.00 175.76 175.30 1ha6 s ILE 37 N -3.24 1.91 -0.90 0.00 -1.09 0.91 -1.22 121.20 117.56 1ha6 s ILE 37 Ca 0.13 -1.44 -0.25 0.00 -2.23 0.00 0.00 60.65 56.87 1ha6 s ILE 37 Cb -0.03 -2.06 0.02 0.00 -1.58 0.00 0.00 42.46 38.80 1ha6 s ILE 37 CO 0.05 -0.03 1.54 -0.63 -1.23 0.00 0.00 174.94 174.64 1ha6 s ILE 38 N 1.23 3.73 0.09 2.92 1.01 -0.27 -1.71 121.20 128.20 1ha6 s ILE 38 Ca -0.07 -0.34 -0.18 0.00 0.00 0.00 0.00 60.65 60.06 1ha6 s ILE 38 Cb -0.19 -4.73 -0.07 0.00 0.01 0.00 0.00 42.46 37.48 1ha6 s ILE 38 CO -0.06 -1.64 0.56 -0.36 0.00 0.00 0.00 174.94 173.44 1ha6 s PHE 39 N 6.49 3.75 -0.51 3.97 0.08 0.14 -0.18 117.98 131.73 1ha6 s PHE 39 Ca 0.50 1.21 0.04 0.00 0.12 0.00 0.00 56.93 58.80 1ha6 s PHE 39 Cb -0.04 -2.46 0.16 0.00 -0.57 0.00 0.00 43.02 40.11 1ha6 s PHE 39 CO 0.00 0.55 0.36 -1.01 -0.10 0.00 0.00 175.22 175.02 1ha6 s HIS 40 N -1.20 2.10 0.77 0.36 3.76 0.12 0.10 115.29 121.29 1ha6 s HIS 40 Ca 0.31 -2.65 -0.11 0.00 -0.15 0.00 0.00 55.06 52.46 1ha6 s HIS 40 Cb -0.18 -1.74 0.05 0.00 1.11 0.00 0.00 32.58 31.82 1ha6 s HIS 40 CO 0.19 -0.73 1.09 0.95 -0.85 0.00 0.00 174.74 175.39 1ha6 s THR 41 N -0.31 3.32 -0.89 1.30 -4.23 -1.19 -2.19 115.64 111.46 1ha6 s THR 41 Ca 0.26 0.43 0.23 0.00 -1.18 0.00 0.00 61.69 61.43 1ha6 s THR 41 Cb -0.07 -3.18 0.21 0.00 1.34 0.00 0.00 72.50 70.80 1ha6 s THR 41 CO -0.13 -0.56 1.73 2.29 -0.54 0.00 0.00 174.62 177.41 1ha6 n LYS 42 N -3.35 0.06 -2.57 3.99 2.85 -1.21 -3.79 118.16 114.14 1ha6 n LYS 42 Ca 0.07 0.17 0.01 0.00 -1.05 0.00 0.00 58.31 57.51 1ha6 n LYS 42 Cb 0.56 -1.59 0.04 0.00 -0.65 0.00 0.00 35.03 33.39 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 -1.71 1.41 -3.65 -1.58 3.00 -1.26 -5.06 118.16 109.31 1ha6 n LYS 43 Ca 0.05 -3.22 -0.03 0.00 -0.00 0.00 0.00 58.31 55.11 1ha6 n LYS 43 Cb 0.28 -1.30 -0.07 0.00 0.00 0.00 0.00 35.03 33.95 1ha6 n LYS 43 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1ha6 s ARG 44 N -3.07 0.21 1.20 1.64 0.52 -1.25 -5.18 118.95 113.02 1ha6 s ARG 44 Ca 0.29 0.28 -0.20 0.00 -0.52 0.00 0.00 55.73 55.57 1ha6 s ARG 44 Cb 0.33 0.08 0.31 0.00 0.52 0.00 0.00 34.95 36.19 1ha6 s ARG 44 CO -0.06 -0.03 0.83 1.63 0.02 0.00 0.00 175.30 177.68 1ha6 n LYS 45 N 2.35 -3.92 -1.71 3.54 5.02 -1.26 -3.15 118.16 119.03 1ha6 n LYS 45 Ca -0.13 -1.36 -0.57 0.00 -2.02 0.00 0.00 58.31 54.22 1ha6 n LYS 45 Cb 0.57 -1.56 -0.07 0.00 -0.02 0.00 0.00 35.03 33.94 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 -5.16 2.42 -4.37 4.39 3.41 -1.25 -4.52 113.62 108.54 1ha6 n SER 46 Ca 0.12 1.07 -0.35 0.00 -0.26 0.00 0.00 58.87 59.46 1ha6 n SER 46 Cb 0.52 -1.15 -0.13 0.00 -0.26 0.00 0.00 64.21 63.18 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 3.54 3.53 -0.42 -3.33 1.01 0.12 -4.90 120.40 119.94 1ha6 s VAL 47 Ca 0.98 -0.46 -0.12 0.00 0.00 0.00 0.00 61.98 62.39 1ha6 s VAL 47 Cb -1.06 -2.58 0.06 0.00 0.00 0.00 0.00 36.38 32.80 1ha6 s VAL 47 CO 0.65 0.45 0.28 0.00 0.00 0.00 0.00 175.10 176.47 1ha6 s ALA 49 N 1.54 2.47 0.41 0.00 0.00 -0.69 -0.47 121.76 125.01 1ha6 s ALA 49 Ca 0.03 -1.41 -0.26 0.00 0.00 0.00 0.00 51.96 50.32 1ha6 s ALA 49 Cb -0.22 -1.39 -0.10 0.00 0.00 0.00 0.00 23.12 21.41 1ha6 s ALA 49 CO 0.05 -0.66 1.24 -3.47 0.00 0.00 0.00 175.76 172.93 1ha6 n ASP 50 N 4.58 2.44 -2.23 0.00 2.03 -1.26 -0.06 116.55 122.05 1ha6 n ASP 50 Ca -0.18 1.12 -0.10 0.00 0.52 0.00 0.00 54.79 56.15 1ha6 n ASP 50 Cb 0.47 -1.48 -0.11 0.00 -0.72 0.00 0.00 41.12 39.28 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 0.14 1.49 0.00 -0.67 -0.04 -1.26 -3.73 135.00 130.93 1ha6 n PRO 51 Ca 0.07 -0.77 0.00 0.00 -0.04 0.00 0.00 63.50 62.75 1ha6 n PRO 51 Cb 0.39 -1.90 0.00 0.00 -0.04 0.00 0.00 33.50 31.95 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 1.84 -4.50 0.54 4.76 -1.26 -4.92 118.16 117.36 1ha6 n LYS 52 Ca 0.32 -1.14 -0.24 0.00 -2.87 0.00 0.00 58.31 54.38 1ha6 n LYS 52 Cb 0.61 -0.90 -0.11 0.00 -1.84 0.00 0.00 35.03 32.80 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 -0.66 1.72 -0.11 1.97 -0.21 -1.24 -5.07 119.66 116.05 1ha6 s GLN 53 Ca 0.00 -1.91 -0.24 0.00 0.02 0.00 0.00 55.36 53.24 1ha6 s GLN 53 Cb 0.00 -1.37 -0.20 0.00 1.00 0.00 0.00 33.01 32.44 1ha6 s GLN 53 CO 0.00 0.02 0.74 -2.95 -2.12 0.00 0.00 175.29 170.98 1ha6 h ASN 54 N 2.09 -0.03 -0.89 5.90 7.08 -1.97 -1.75 115.58 126.02 1ha6 h ASN 54 Ca -0.41 -0.71 0.08 0.00 -3.08 0.00 0.00 56.30 52.18 1ha6 h ASN 54 Cb 1.24 0.01 -0.07 0.00 -2.08 0.00 0.00 38.32 37.42 1ha6 h ASN 54 CO 0.71 0.78 0.55 4.11 -2.08 0.00 0.00 177.43 181.50 1ha6 h TRP 55 N -0.92 1.00 0.33 4.14 5.08 -1.98 0.54 115.95 124.14 1ha6 h TRP 55 Ca -0.00 0.03 -0.02 0.00 1.08 0.00 0.00 58.89 59.98 1ha6 h TRP 55 Cb 0.74 -0.32 0.00 0.00 -3.00 0.00 0.00 29.16 26.58 1ha6 h TRP 55 CO 0.19 0.47 -0.16 0.28 -1.28 0.00 0.00 178.44 177.94 1ha6 h VAL 56 N 0.95 0.00 -0.65 0.12 2.07 -1.92 0.12 116.25 116.95 1ha6 h VAL 56 Ca 0.41 -0.00 0.19 0.00 0.82 0.00 0.00 66.70 68.11 1ha6 h VAL 56 Cb 0.28 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.02 1ha6 h VAL 56 CO -0.21 0.00 0.46 0.11 0.02 0.00 0.00 177.57 177.95 1ha6 h LYS 57 N -0.44 0.01 0.48 1.57 1.79 -0.65 0.20 116.57 119.53 1ha6 h LYS 57 Ca -0.04 -0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.40 1ha6 h LYS 57 Cb 0.34 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1ha6 h LYS 57 CO 0.07 0.01 -0.23 -0.09 -1.08 0.00 0.00 179.45 178.13 1ha6 h ARG 58 N 0.01 -0.62 -0.87 3.15 2.43 0.18 0.41 114.38 119.06 1ha6 h ARG 58 Ca 0.31 0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.59 1ha6 h ARG 58 Cb 1.22 0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 30.84 1ha6 h ARG 58 CO -0.01 -0.36 0.54 0.00 -1.51 0.00 0.00 179.97 178.63 1ha6 h ALA 59 N -0.99 1.22 -0.13 2.80 0.00 0.36 -1.13 119.26 121.39 1ha6 h ALA 59 Ca -0.07 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1ha6 h ALA 59 Cb 0.55 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1ha6 h ALA 59 CO 0.11 0.26 -0.20 0.28 0.00 0.00 0.00 179.25 179.70 1ha6 h VAL 60 N 0.96 1.21 0.01 0.00 2.07 -0.70 -2.14 116.25 117.67 1ha6 h VAL 60 Ca 0.39 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 1ha6 h VAL 60 Cb 0.22 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1ha6 h VAL 60 CO -0.19 0.29 -0.01 -1.13 0.02 0.00 0.00 177.57 176.56 1ha6 h ASN 61 N 0.20 -0.02 -0.75 0.57 -0.73 0.11 0.80 115.58 115.75 1ha6 h ASN 61 Ca 0.04 -0.12 -0.00 0.00 1.87 0.00 0.00 56.30 58.09 1ha6 h ASN 61 Cb 0.48 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 39.04 1ha6 h ASN 61 CO 0.03 0.11 0.46 -0.07 -0.37 0.00 0.00 177.43 177.59 1ha6 h LEU 62 N -0.14 0.90 -1.51 0.34 4.07 -1.17 -0.88 115.31 116.92 1ha6 h LEU 62 Ca -0.00 -0.06 -0.04 0.00 0.08 0.00 0.00 57.88 57.86 1ha6 h LEU 62 Cb 0.13 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.63 1ha6 h LEU 62 CO 0.00 0.70 -0.12 0.25 -1.08 0.00 0.00 178.44 178.19 1ha6 h LEU 63 N 1.03 0.16 -0.02 1.67 6.46 -1.19 -2.41 115.31 121.00 1ha6 h LEU 63 Ca 0.27 -0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 58.00 1ha6 h LEU 63 Cb -0.04 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 39.85 1ha6 h LEU 63 CO -0.05 0.30 0.01 -1.28 -0.62 0.00 0.00 178.44 176.80 1ha6 h SER 64 N 0.16 0.03 0.24 1.25 0.87 0.21 0.91 113.55 117.22 1ha6 h SER 64 Ca 0.03 -0.14 -0.03 0.00 -1.23 0.00 0.00 61.79 60.42 1ha6 h SER 64 Cb 0.32 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1ha6 h SER 64 CO 0.02 0.16 -0.16 -0.07 -0.53 0.00 0.00 176.83 176.25 1ha6 h LEU 65 N -0.11 0.00 0.02 2.23 3.38 -1.36 -0.29 115.31 119.19 1ha6 h LEU 65 Ca 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1ha6 h LEU 65 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1ha6 h LEU 65 CO -0.00 0.16 -0.01 -0.09 0.09 0.00 0.00 178.44 178.58 1ha6 h ARG 66 N 0.00 -0.03 -0.94 1.13 9.65 -0.85 -3.36 114.38 119.98 1ha6 h ARG 66 Ca -0.00 0.00 -0.20 0.00 -1.10 0.00 0.00 59.98 58.68 1ha6 h ARG 66 Cb 0.32 0.01 -0.12 0.00 -1.39 0.00 0.00 29.97 28.79 1ha6 h ARG 66 CO 0.02 0.56 0.25 1.55 2.80 0.00 0.00 179.97 185.15 1ha6 n VAL 67 N -4.71 1.96 -3.15 0.20 3.14 0.31 -4.59 118.33 111.49 1ha6 n VAL 67 Ca -0.06 -0.93 0.05 0.00 -2.96 0.00 0.00 64.34 60.44 1ha6 n VAL 67 Cb 0.29 -0.63 -0.00 0.00 -1.06 0.00 0.00 33.84 32.43 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 -1.77 0.30 0.98 1.45 2.36 -0.15 -4.96 119.74 117.96 1ha6 s LYS 68 Ca 0.29 0.33 -0.11 0.00 -2.55 0.00 0.00 55.97 53.94 1ha6 s LYS 68 Cb 0.24 0.16 0.18 0.00 -1.05 0.00 0.00 37.83 37.36 1ha6 s LYS 68 CO 0.06 -0.54 1.10 0.21 1.55 0.00 0.00 175.35 177.74 1ha6 s LYS 69 N 2.91 0.51 0.00 4.03 2.20 -1.26 -4.26 119.74 123.87 1ha6 s LYS 69 Ca 0.19 1.25 0.27 0.00 -0.36 0.00 0.00 55.97 57.32 1ha6 s LYS 69 Cb -0.06 -1.69 0.89 0.00 -1.51 0.00 0.00 37.83 35.46 1ha6 s LYS 69 CO -0.23 -2.88 1.65 -0.12 -0.36 0.00 0.00 175.35 173.42