#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 -3.28 0.00 2.88 -1.26 -5.13 113.62 106.83 1ha6 n SER 2 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 1ha6 n SER 2 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1ha6 n SER 2 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ha6 s ASN 3 N 0.00 0.77 0.20 -3.46 4.22 -1.26 -5.13 114.94 110.28 1ha6 s ASN 3 Ca 0.00 -1.86 -0.31 0.00 -2.14 0.00 0.00 52.86 48.55 1ha6 s ASN 3 Cb 0.00 0.60 -0.10 0.00 1.28 0.00 0.00 41.25 43.03 1ha6 s ASN 3 CO 0.00 -0.21 1.55 -0.31 -2.04 0.00 0.00 177.10 176.09 1ha6 s TYR 4 N 1.10 3.00 -0.38 1.54 2.02 -1.26 -4.90 117.35 118.48 1ha6 s TYR 4 Ca 0.22 0.72 0.06 0.00 -0.37 0.00 0.00 57.07 57.70 1ha6 s TYR 4 Cb -0.10 -3.93 0.28 0.00 -0.40 0.00 0.00 41.96 37.81 1ha6 s TYR 4 CO -0.06 -3.32 1.24 -3.47 -1.57 0.00 0.00 175.55 168.37 1ha6 n ASP 5 N 3.35 -1.70 0.00 2.29 2.03 -1.26 -4.92 116.55 116.33 1ha6 n ASP 5 Ca 0.12 -2.43 0.00 0.00 0.52 0.00 0.00 54.79 53.00 1ha6 n ASP 5 Cb 0.39 1.23 0.00 0.00 -0.72 0.00 0.00 41.12 42.01 1ha6 n ASP 5 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ha6 h LEU 8 N -2.17 0.12 -6.89 0.00 5.85 -1.96 -3.38 115.31 106.88 1ha6 h LEU 8 Ca -0.51 0.05 0.22 0.00 0.84 0.00 0.00 57.88 58.48 1ha6 h LEU 8 Cb 1.31 0.04 -0.33 0.00 0.37 0.00 0.00 40.66 42.05 1ha6 h LEU 8 CO 0.42 -0.05 0.75 -0.44 -0.34 0.00 0.00 178.44 178.78 1ha6 s SER 9 N -4.53 -0.03 0.97 1.25 0.01 -1.26 -5.14 113.70 104.96 1ha6 s SER 9 Ca -0.06 0.04 -0.16 0.00 1.31 0.00 0.00 55.95 57.08 1ha6 s SER 9 Cb 0.27 1.01 -0.12 0.00 0.21 0.00 0.00 66.02 67.39 1ha6 s SER 9 CO 0.84 -0.01 -0.60 0.00 0.41 0.00 0.00 173.24 173.88 1ha6 n TYR 10 N 3.21 -4.59 -1.93 2.43 9.36 -1.26 -4.38 117.16 120.01 1ha6 n TYR 10 Ca -0.16 0.02 -0.23 0.00 3.32 0.00 0.00 57.90 60.85 1ha6 n TYR 10 Cb 0.56 -1.49 -0.06 0.00 -0.63 0.00 0.00 39.34 37.72 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 -2.05 3.34 0.32 2.97 1.10 0.18 -4.74 121.20 122.32 1ha6 s ILE 11 Ca 0.43 -0.30 0.35 0.00 -0.51 0.00 0.00 60.65 60.62 1ha6 s ILE 11 Cb -0.20 -3.80 0.35 0.00 0.15 0.00 0.00 42.46 38.97 1ha6 s ILE 11 CO 0.80 -0.71 2.08 1.56 -2.11 0.00 0.00 174.94 176.56 1ha6 h GLN 12 N 11.55 0.00 -2.07 3.50 4.20 -1.88 -3.37 115.11 127.04 1ha6 h GLN 12 Ca 0.08 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.56 1ha6 h GLN 12 Cb 1.00 0.00 -0.32 0.00 0.30 0.00 0.00 27.48 28.46 1ha6 h GLN 12 CO 1.16 0.00 -0.55 0.99 -0.67 0.00 0.00 178.83 179.76 1ha6 s THR 13 N -3.90 -0.50 0.48 -0.54 2.01 -1.26 -5.15 115.64 106.77 1ha6 s THR 13 Ca -0.04 -0.17 -0.22 0.00 0.31 0.00 0.00 61.69 61.57 1ha6 s THR 13 Cb 0.10 -0.83 -0.07 0.00 0.01 0.00 0.00 72.50 71.72 1ha6 s THR 13 CO 0.32 -0.22 1.14 -2.16 -0.69 0.00 0.00 174.62 173.02 1ha6 s PRO 14 N 2.46 3.66 0.19 4.92 0.04 -1.26 -5.07 135.00 139.94 1ha6 s PRO 14 Ca 0.10 1.69 0.04 0.00 0.04 0.00 0.00 61.00 62.88 1ha6 s PRO 14 Cb -0.15 -2.28 -0.05 0.00 0.04 0.00 0.00 34.50 32.06 1ha6 s PRO 14 CO -0.19 -0.61 -0.05 -0.48 0.04 0.00 0.00 177.00 175.70 1ha6 s LEU 15 N -3.25 2.36 0.46 -3.56 0.05 -1.26 -5.14 118.68 108.34 1ha6 s LEU 15 Ca 0.66 -1.12 -0.23 0.00 0.05 0.00 0.00 54.13 53.50 1ha6 s LEU 15 Cb -0.26 -0.32 -0.07 0.00 -2.05 0.00 0.00 46.19 43.49 1ha6 s LEU 15 CO 0.31 -0.42 1.15 -2.16 -0.55 0.00 0.00 176.35 174.68 1ha6 s PRO 16 N -3.80 3.76 0.16 1.48 0.04 -1.26 -4.81 135.00 130.58 1ha6 s PRO 16 Ca 0.23 1.72 0.12 0.00 0.04 0.00 0.00 61.00 63.11 1ha6 s PRO 16 Cb 0.04 -2.38 0.62 0.00 0.04 0.00 0.00 34.50 32.82 1ha6 s PRO 16 CO 0.05 -0.53 1.36 -1.13 0.04 0.00 0.00 177.00 176.79 1ha6 n SER 17 N -0.53 0.29 0.00 6.66 3.41 -1.26 -1.05 113.62 121.14 1ha6 n SER 17 Ca 0.07 0.63 0.06 0.00 -0.26 0.00 0.00 58.87 59.38 1ha6 n SER 17 Cb 0.49 -0.67 0.29 0.00 -0.26 0.00 0.00 64.21 64.05 1ha6 n SER 17 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ha6 n ARG 18 N -1.89 0.11 0.00 4.33 1.74 -1.26 -1.37 116.66 118.32 1ha6 n ARG 18 Ca -0.00 0.22 0.03 0.00 -0.77 0.00 0.00 57.85 57.32 1ha6 n ARG 18 Cb 0.03 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 29.99 1ha6 n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ha6 n ALA 19 N -1.37 2.50 -2.60 7.54 0.00 -0.22 -4.99 120.51 121.36 1ha6 n ALA 19 Ca 0.05 -0.52 -0.40 0.00 0.00 0.00 0.00 53.44 52.57 1ha6 n ALA 19 Cb 0.12 -0.17 -0.09 0.00 0.00 0.00 0.00 19.45 19.31 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 -0.48 5.13 -0.13 0.00 1.09 -0.47 -2.25 121.20 124.10 1ha6 s ILE 20 Ca 0.06 0.62 -0.09 0.00 -1.10 0.00 0.00 60.65 60.14 1ha6 s ILE 20 Cb 0.04 -3.76 -0.26 0.00 -1.06 0.00 0.00 42.46 37.43 1ha6 s ILE 20 CO 0.07 0.10 0.37 1.62 -0.10 0.00 0.00 174.94 177.00 1ha6 h VAL 21 N 5.41 0.68 -3.73 2.92 3.04 -1.81 -3.47 116.25 119.29 1ha6 h VAL 21 Ca -0.30 -2.33 -0.08 0.00 -1.01 0.00 0.00 66.70 62.98 1ha6 h VAL 21 Cb 1.15 2.49 -0.11 0.00 -2.01 0.00 0.00 31.29 32.81 1ha6 h VAL 21 CO 0.67 0.83 -0.21 -0.83 -1.01 0.00 0.00 177.57 177.03 1ha6 s GLY 22 N -5.47 0.42 -0.18 3.17 0.00 -0.69 -5.03 107.32 99.54 1ha6 s GLY 22 Ca -0.23 -0.78 -0.35 0.00 0.00 0.00 0.00 44.72 43.35 1ha6 s GLY 22 CO 0.75 -0.69 1.40 -0.11 0.00 0.00 0.00 173.10 174.46 1ha6 s PHE 23 N -3.97 -0.01 0.10 1.90 -0.71 -1.26 0.13 117.98 114.16 1ha6 s PHE 23 Ca 0.18 0.00 -0.10 0.00 -1.04 0.00 0.00 56.93 55.97 1ha6 s PHE 23 Cb 0.01 0.50 0.01 0.00 -1.21 0.00 0.00 43.02 42.34 1ha6 s PHE 23 CO 0.02 -0.03 0.25 0.99 -1.34 0.00 0.00 175.22 175.11 1ha6 s THR 24 N -2.06 0.12 0.06 -4.49 2.01 0.13 -4.94 115.64 106.47 1ha6 s THR 24 Ca 0.13 -1.05 -0.20 0.00 0.31 0.00 0.00 61.69 60.88 1ha6 s THR 24 Cb 0.04 -1.34 -0.07 0.00 0.01 0.00 0.00 72.50 71.14 1ha6 s THR 24 CO -0.05 -0.55 0.58 -0.13 -0.69 0.00 0.00 174.62 173.79 1ha6 s ARG 25 N -3.86 4.23 -0.35 4.92 0.52 -1.26 -0.83 118.95 122.32 1ha6 s ARG 25 Ca 0.05 0.75 0.01 0.00 -0.52 0.00 0.00 55.73 56.03 1ha6 s ARG 25 Cb 0.04 -3.26 0.11 0.00 0.52 0.00 0.00 34.95 32.36 1ha6 s ARG 25 CO -0.10 0.59 0.12 -1.14 0.02 0.00 0.00 175.30 174.78 1ha6 s GLN 26 N -0.96 1.11 1.26 3.54 0.74 -0.74 -4.84 119.66 119.77 1ha6 s GLN 26 Ca 0.29 -1.56 -0.18 0.00 0.05 0.00 0.00 55.36 53.97 1ha6 s GLN 26 Cb -0.19 -2.48 0.31 0.00 1.10 0.00 0.00 33.01 31.74 1ha6 s GLN 26 CO 0.19 -1.01 1.01 0.00 -0.55 0.00 0.00 175.29 174.93 1ha6 s MET 27 N 1.08 -1.66 -0.41 1.67 0.23 -1.26 -0.24 119.30 118.71 1ha6 s MET 27 Ca 0.12 0.39 -0.08 0.00 -1.03 0.00 0.00 55.69 55.08 1ha6 s MET 27 Cb -0.19 -1.50 0.08 0.00 -1.53 0.00 0.00 34.83 31.68 1ha6 s MET 27 CO -0.14 -4.10 0.24 0.00 -2.03 0.00 0.00 175.02 168.99 1ha6 s ALA 28 N -2.52 3.26 0.00 3.16 0.00 -1.24 -4.52 121.76 119.90 1ha6 s ALA 28 Ca 0.69 -2.17 0.00 0.00 0.00 0.00 0.00 51.96 50.48 1ha6 s ALA 28 Cb -0.18 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.34 1ha6 s ALA 28 CO 0.60 -1.65 0.00 -0.25 0.00 0.00 0.00 175.76 174.47 1ha6 n ASP 29 N 4.88 0.00 -1.58 0.00 8.00 0.88 -4.87 116.55 123.86 1ha6 n ASP 29 Ca -0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.41 1ha6 n ASP 29 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 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 2.66 0.15 -1.24 2.13 -1.26 -4.68 120.64 118.40 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 0.71 0.00 0.27 0.00 0.00 31.44 32.42 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 1.94 -2.69 4.31 0.00 -1.98 -3.38 119.26 115.46 1ha6 h ALA 31 Ca 0.00 -0.01 -0.62 0.00 0.00 0.00 0.00 54.91 54.28 1ha6 h ALA 31 Cb 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1ha6 h ALA 31 CO 0.00 -0.67 -0.34 0.00 0.00 0.00 0.00 179.25 178.25 1ha6 n ASP 33 N 1.38 0.83 -4.39 0.00 4.64 -1.26 -0.08 116.55 117.67 1ha6 n ASP 33 Ca -0.13 -0.88 -0.23 0.00 -1.38 0.00 0.00 54.79 52.16 1ha6 n ASP 33 Cb 0.53 1.03 -0.10 0.00 -1.04 0.00 0.00 41.12 41.54 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 -2.67 1.06 -0.12 5.18 -0.00 -1.26 -4.56 121.20 118.82 1ha6 s ILE 34 Ca 0.06 -2.00 -0.22 0.00 -0.00 0.00 0.00 60.65 58.49 1ha6 s ILE 34 Cb 0.13 -2.65 -0.03 0.00 -0.00 0.00 0.00 42.46 39.91 1ha6 s ILE 34 CO 0.72 0.00 0.67 0.20 -0.00 0.00 0.00 174.94 176.53 1ha6 s ASN 35 N -3.55 6.86 0.34 4.36 -0.87 -1.26 -3.61 114.94 117.21 1ha6 s ASN 35 Ca 0.31 1.04 0.04 0.00 -1.57 0.00 0.00 52.86 52.69 1ha6 s ASN 35 Cb 0.07 -2.38 -0.02 0.00 -0.02 0.00 0.00 41.25 38.90 1ha6 s ASN 35 CO 0.15 -0.18 0.16 0.00 -2.57 0.00 0.00 177.10 174.66 1ha6 n ALA 36 N 4.28 0.54 -3.69 0.60 0.00 0.67 -4.10 120.51 118.80 1ha6 n ALA 36 Ca -0.01 -1.78 -0.30 0.00 0.00 0.00 0.00 53.44 51.35 1ha6 n ALA 36 Cb 0.51 1.26 -0.15 0.00 0.00 0.00 0.00 19.45 21.07 1ha6 n ALA 36 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ha6 s ILE 37 N -2.97 0.78 -0.83 0.00 -1.09 0.20 -1.79 121.20 115.51 1ha6 s ILE 37 Ca 0.23 -1.49 -0.25 0.00 -2.23 0.00 0.00 60.65 56.90 1ha6 s ILE 37 Cb 0.01 -1.59 -0.19 0.00 -1.58 0.00 0.00 42.46 39.11 1ha6 s ILE 37 CO 0.16 -0.73 1.90 -0.38 -1.23 0.00 0.00 174.94 174.66 1ha6 n ILE 38 N 4.67 1.16 -1.07 2.92 5.41 -0.01 -1.00 119.36 131.43 1ha6 n ILE 38 Ca -0.00 -1.12 -0.31 0.00 1.00 0.00 0.00 62.75 62.32 1ha6 n ILE 38 Cb 0.41 -2.15 0.12 0.00 -0.71 0.00 0.00 39.64 37.31 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 9.87 2.19 -0.42 1.39 0.08 0.19 0.18 117.98 131.46 1ha6 s PHE 39 Ca 0.68 1.65 0.08 0.00 0.12 0.00 0.00 56.93 59.47 1ha6 s PHE 39 Cb 0.06 -3.18 0.31 0.00 -0.57 0.00 0.00 43.02 39.63 1ha6 s PHE 39 CO 0.18 -2.22 0.84 0.72 -0.10 0.00 0.00 175.22 174.65 1ha6 n HIS 40 N -3.71 -1.43 -0.75 0.36 8.25 0.12 -0.12 115.22 117.93 1ha6 n HIS 40 Ca 0.10 -2.92 -0.33 0.00 -0.26 0.00 0.00 57.72 54.32 1ha6 n HIS 40 Cb 0.52 0.55 0.14 0.00 1.12 0.00 0.00 29.99 32.32 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 0.72 0.00 0.77 1.59 -2.24 -1.22 -1.71 114.28 112.20 1ha6 n THR 41 Ca 0.16 -0.23 0.13 0.00 -2.27 0.00 0.00 64.05 61.85 1ha6 n THR 41 Cb 0.65 -0.63 0.45 0.00 -2.10 0.00 0.00 70.33 68.70 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 -1.90 0.16 -2.34 -0.78 -0.00 -0.95 -3.89 118.16 108.46 1ha6 n LYS 42 Ca 0.05 0.12 -0.02 0.00 -0.00 0.00 0.00 58.31 58.45 1ha6 n LYS 42 Cb 0.56 -1.67 0.05 0.00 -0.00 0.00 0.00 35.03 33.97 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 -1.94 1.65 -3.64 -1.58 3.00 -1.26 -5.05 118.16 109.33 1ha6 n LYS 43 Ca 0.06 -3.29 -0.04 0.00 -0.00 0.00 0.00 58.31 55.04 1ha6 n LYS 43 Cb 0.39 -1.38 -0.07 0.00 0.00 0.00 0.00 35.03 33.98 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 -2.98 0.30 1.34 1.64 0.52 -1.25 -5.18 118.95 113.35 1ha6 s ARG 44 Ca 0.32 0.42 -0.22 0.00 -0.52 0.00 0.00 55.73 55.74 1ha6 s ARG 44 Cb 0.35 0.11 0.34 0.00 0.52 0.00 0.00 34.95 36.27 1ha6 s ARG 44 CO -0.06 -0.05 0.78 1.17 0.02 0.00 0.00 175.30 177.16 1ha6 n LYS 45 N 2.68 -4.49 -1.59 3.54 4.81 -1.26 -3.38 118.16 118.48 1ha6 n LYS 45 Ca -0.15 -1.31 -0.57 0.00 -0.87 0.00 0.00 58.31 55.42 1ha6 n LYS 45 Cb 0.57 -1.74 -0.07 0.00 0.02 0.00 0.00 35.03 33.81 1ha6 n LYS 45 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1ha6 n SER 46 N -5.35 1.07 -4.51 3.14 3.41 -1.26 -4.49 113.62 105.63 1ha6 n SER 46 Ca 0.12 1.14 -0.31 0.00 -0.26 0.00 0.00 58.87 59.56 1ha6 n SER 46 Cb 0.54 -1.05 -0.12 0.00 -0.26 0.00 0.00 64.21 63.32 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 0.90 3.09 -0.36 -3.33 1.01 0.83 -4.92 120.40 117.62 1ha6 s VAL 47 Ca 0.91 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.83 1ha6 s VAL 47 Cb -1.14 -2.32 0.09 0.00 0.00 0.00 0.00 36.38 33.01 1ha6 s VAL 47 CO 0.56 0.35 0.10 0.00 0.00 0.00 0.00 175.10 176.12 1ha6 s ALA 49 N 1.13 2.45 0.31 0.00 0.00 -0.17 0.50 121.76 125.98 1ha6 s ALA 49 Ca 0.04 -1.04 -0.29 0.00 0.00 0.00 0.00 51.96 50.67 1ha6 s ALA 49 Cb -0.21 -1.17 -0.11 0.00 0.00 0.00 0.00 23.12 21.63 1ha6 s ALA 49 CO -0.04 0.00 1.52 0.34 0.00 0.00 0.00 175.76 177.59 1ha6 s ASP 50 N 0.76 6.44 0.00 0.00 2.15 -1.26 0.63 116.67 125.39 1ha6 s ASP 50 Ca -0.07 2.91 -0.03 0.00 0.43 0.00 0.00 52.55 55.79 1ha6 s ASP 50 Cb -0.16 -2.64 -0.12 0.00 -0.30 0.00 0.00 42.92 39.70 1ha6 s ASP 50 CO 0.01 -0.84 2.18 -0.81 -0.17 0.00 0.00 175.17 175.54 1ha6 n PRO 51 N 1.71 1.12 -0.86 4.34 -0.04 -1.26 -3.58 135.00 136.43 1ha6 n PRO 51 Ca 0.06 -0.45 0.03 0.00 -0.04 0.00 0.00 63.50 63.10 1ha6 n PRO 51 Cb 0.39 -1.62 0.05 0.00 -0.04 0.00 0.00 33.50 32.27 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 2.35 0.31 -4.34 0.54 4.76 -1.26 -4.91 118.16 115.61 1ha6 n LYS 52 Ca 0.19 -1.81 -0.27 0.00 -2.87 0.00 0.00 58.31 53.55 1ha6 n LYS 52 Cb 0.52 -0.53 -0.06 0.00 -1.84 0.00 0.00 35.03 33.12 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 -0.08 0.78 -0.02 1.97 6.02 -1.23 -5.05 117.38 119.77 1ha6 n GLN 53 Ca 0.06 -3.28 -0.00 0.00 -0.01 0.00 0.00 57.00 53.76 1ha6 n GLN 53 Cb 0.87 1.20 -0.00 0.00 1.02 0.00 0.00 30.24 33.33 1ha6 n GLN 53 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 1ha6 h ASN 54 N 1.25 0.00 -0.91 1.08 -1.24 -1.97 -1.92 115.58 111.87 1ha6 h ASN 54 Ca -0.35 0.00 0.21 0.00 0.71 0.00 0.00 56.30 56.87 1ha6 h ASN 54 Cb 1.14 0.00 -0.12 0.00 0.73 0.00 0.00 38.32 40.07 1ha6 h ASN 54 CO 0.57 0.19 0.44 4.11 -1.29 0.00 0.00 177.43 181.45 1ha6 h TRP 55 N -0.31 0.75 0.47 0.67 5.08 -1.98 0.59 115.95 121.20 1ha6 h TRP 55 Ca 0.00 0.04 -0.02 0.00 1.08 0.00 0.00 58.89 59.99 1ha6 h TRP 55 Cb 0.06 -0.19 -0.01 0.00 -3.00 0.00 0.00 29.16 26.02 1ha6 h TRP 55 CO -0.02 0.03 -0.30 0.28 -1.28 0.00 0.00 178.44 177.15 1ha6 h VAL 56 N 0.49 0.38 -0.25 0.12 2.07 -1.88 0.16 116.25 117.34 1ha6 h VAL 56 Ca 0.55 0.00 0.04 0.00 0.82 0.00 0.00 66.70 68.11 1ha6 h VAL 56 Cb 0.99 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 1ha6 h VAL 56 CO -0.48 0.00 0.02 0.11 0.02 0.00 0.00 177.57 177.24 1ha6 h LYS 57 N -0.74 0.10 0.03 1.57 1.57 -0.03 0.74 116.57 119.82 1ha6 h LYS 57 Ca -0.05 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1ha6 h LYS 57 Cb 0.61 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.86 1ha6 h LYS 57 CO 0.04 0.07 -0.25 0.00 -0.57 0.00 0.00 179.45 178.74 1ha6 h ARG 58 N 0.11 -0.40 -0.88 3.15 2.47 0.28 0.93 114.38 120.05 1ha6 h ARG 58 Ca 0.12 0.03 0.04 0.00 -1.26 0.00 0.00 59.98 58.90 1ha6 h ARG 58 Cb 0.14 0.09 -0.05 0.00 -1.65 0.00 0.00 29.97 28.50 1ha6 h ARG 58 CO -0.18 -0.26 0.57 0.00 0.56 0.00 0.00 179.97 180.65 1ha6 h ALA 59 N 0.39 1.16 -0.30 0.04 0.00 -0.58 0.03 119.26 120.01 1ha6 h ALA 59 Ca 0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1ha6 h ALA 59 Cb 0.48 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1ha6 h ALA 59 CO -0.20 0.41 0.00 0.28 0.00 0.00 0.00 179.25 179.73 1ha6 h VAL 60 N 1.09 1.18 0.54 0.00 2.07 0.14 -2.60 116.25 118.66 1ha6 h VAL 60 Ca 0.35 -0.71 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 1ha6 h VAL 60 Cb 0.02 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1ha6 h VAL 60 CO -0.12 0.24 -0.26 -1.13 0.02 0.00 0.00 177.57 176.32 1ha6 h ASN 61 N 0.44 -0.61 -0.97 0.57 -1.24 0.28 0.93 115.58 114.98 1ha6 h ASN 61 Ca 0.10 0.02 0.08 0.00 0.71 0.00 0.00 56.30 57.21 1ha6 h ASN 61 Cb 0.29 0.16 -0.07 0.00 0.73 0.00 0.00 38.32 39.43 1ha6 h ASN 61 CO 0.01 -0.44 0.62 -0.07 -1.29 0.00 0.00 177.43 176.26 1ha6 h LEU 62 N -0.72 0.96 -1.27 0.34 4.07 -1.30 0.49 115.31 117.87 1ha6 h LEU 62 Ca -0.07 0.02 -0.06 0.00 0.08 0.00 0.00 57.88 57.85 1ha6 h LEU 62 Cb 0.55 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.10 1ha6 h LEU 62 CO 0.12 0.59 -0.11 0.25 -1.08 0.00 0.00 178.44 178.21 1ha6 h LEU 63 N 1.07 0.35 -1.06 1.67 6.46 -1.03 -1.90 115.31 120.86 1ha6 h LEU 63 Ca 0.43 -0.08 -0.04 0.00 -0.12 0.00 0.00 57.88 58.07 1ha6 h LEU 63 Cb 0.27 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.08 1ha6 h LEU 63 CO -0.18 0.49 0.17 0.77 -0.62 0.00 0.00 178.44 179.07 1ha6 h SER 64 N 0.35 0.78 1.72 1.25 4.64 0.32 0.91 113.55 123.51 1ha6 h SER 64 Ca 0.07 -0.12 -0.06 0.00 -0.47 0.00 0.00 61.79 61.21 1ha6 h SER 64 Cb 0.40 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 1ha6 h SER 64 CO 0.02 0.74 -0.27 -0.07 -0.87 0.00 0.00 176.83 176.38 1ha6 h LEU 65 N 0.82 0.00 0.00 5.97 3.38 -1.01 -2.81 115.31 121.66 1ha6 h LEU 65 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1ha6 h LEU 65 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1ha6 h LEU 65 CO -0.01 0.27 0.00 -1.14 0.09 0.00 0.00 178.44 177.65 1ha6 n ARG 66 N -3.17 0.00 -0.90 1.13 3.00 -0.58 -4.14 116.66 112.00 1ha6 n ARG 66 Ca 0.03 0.42 -0.15 0.00 -0.00 0.00 0.00 57.85 58.15 1ha6 n ARG 66 Cb 0.64 -0.92 0.02 0.00 0.00 0.00 0.00 32.46 32.20 1ha6 n ARG 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1ha6 n VAL 67 N -2.03 2.72 0.00 5.15 0.31 0.31 -4.23 118.33 120.56 1ha6 n VAL 67 Ca 0.00 -1.61 0.00 0.00 -0.01 0.00 0.00 64.34 62.72 1ha6 n VAL 67 Cb 0.00 -1.41 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 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 0.64 0.00 -0.88 5.55 5.02 -1.06 -4.85 118.16 122.58 1ha6 n LYS 68 Ca 0.28 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.22 1ha6 n LYS 68 Cb 0.57 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.67 1ha6 n LYS 68 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1ha6 n LYS 69 N 0.00 -0.29 0.00 1.97 2.85 -1.26 -4.04 118.16 117.39 1ha6 n LYS 69 Ca 0.00 -0.07 0.13 0.00 -1.05 0.00 0.00 58.31 57.33 1ha6 n LYS 69 Cb 0.00 -1.44 0.38 0.00 -0.65 0.00 0.00 35.03 33.32 1ha6 n LYS 69 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35