#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 -1.05 0.00 7.64 -1.26 -5.18 113.62 113.77 1ha6 n SER 2 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ha6 n SER 2 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ha6 n SER 2 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1ha6 n ASN 3 N 0.00 -0.02 -1.43 6.43 6.94 -1.26 -5.06 115.26 120.86 1ha6 n ASN 3 Ca 0.00 -1.05 0.00 0.00 -0.02 0.00 0.00 54.58 53.51 1ha6 n ASN 3 Cb 0.00 0.04 0.00 0.00 -2.36 0.00 0.00 39.78 37.46 1ha6 n ASN 3 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ha6 n TYR 4 N -0.01 0.00 -1.03 -2.53 4.19 -1.26 -5.03 117.16 111.49 1ha6 n TYR 4 Ca 0.00 0.00 -0.13 0.00 3.31 0.00 0.00 57.90 61.08 1ha6 n TYR 4 Cb 0.01 0.00 -0.16 0.00 0.49 0.00 0.00 39.34 39.68 1ha6 n TYR 4 CO 0.00 0.00 0.00 -0.25 0.91 0.00 0.00 176.86 177.52 1ha6 n ASP 5 N -2.06 5.40 0.00 2.98 8.00 -1.26 -4.69 116.55 124.92 1ha6 n ASP 5 Ca 0.00 -2.52 0.00 0.00 0.71 0.00 0.00 54.79 52.98 1ha6 n ASP 5 Cb 0.00 -1.42 0.00 0.00 -0.02 0.00 0.00 41.12 39.68 1ha6 n ASP 5 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ha6 n LEU 8 N 0.00 -0.05 -3.64 0.00 0.00 -1.26 -4.20 117.00 107.85 1ha6 n LEU 8 Ca 0.09 1.50 -0.06 0.00 0.00 0.00 0.00 56.01 57.55 1ha6 n LEU 8 Cb 0.41 -0.57 -0.06 0.00 0.00 0.00 0.00 43.42 43.20 1ha6 n LEU 8 CO 0.27 -1.54 0.36 -0.44 0.00 0.00 0.00 177.39 176.04 1ha6 s SER 9 N -4.95 -0.95 1.00 1.96 0.01 -1.26 -5.09 113.70 104.41 1ha6 s SER 9 Ca -0.11 1.48 -0.18 0.00 1.31 0.00 0.00 55.95 58.45 1ha6 s SER 9 Cb 0.26 1.55 -0.11 0.00 0.21 0.00 0.00 66.02 67.93 1ha6 s SER 9 CO 0.69 -0.23 -0.70 0.00 0.41 0.00 0.00 173.24 173.42 1ha6 n TYR 10 N 4.49 -3.65 -1.62 2.43 9.36 -1.26 -4.54 117.16 122.37 1ha6 n TYR 10 Ca -0.18 0.15 -0.15 0.00 3.32 0.00 0.00 57.90 61.04 1ha6 n TYR 10 Cb 0.57 -1.49 -0.08 0.00 -0.63 0.00 0.00 39.34 37.71 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 -2.08 3.06 0.33 2.97 1.10 -0.51 -4.73 121.20 121.33 1ha6 s ILE 11 Ca 0.43 -0.06 0.36 0.00 -0.51 0.00 0.00 60.65 60.88 1ha6 s ILE 11 Cb -0.13 -3.34 0.37 0.00 0.15 0.00 0.00 42.46 39.51 1ha6 s ILE 11 CO 0.76 -0.11 2.11 1.56 -2.11 0.00 0.00 174.94 177.15 1ha6 h GLN 12 N 12.29 0.00 -2.30 3.50 4.20 -1.91 -3.36 115.11 127.53 1ha6 h GLN 12 Ca 0.01 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.38 1ha6 h GLN 12 Cb 1.00 0.00 -0.34 0.00 0.30 0.00 0.00 27.48 28.43 1ha6 h GLN 12 CO 1.03 0.00 -0.65 0.99 -0.67 0.00 0.00 178.83 179.53 1ha6 s THR 13 N -3.91 -0.35 -0.37 -0.54 2.01 -1.26 -5.12 115.64 106.09 1ha6 s THR 13 Ca -0.04 -0.43 -0.28 0.00 0.31 0.00 0.00 61.69 61.25 1ha6 s THR 13 Cb 0.11 -0.92 -0.02 0.00 0.01 0.00 0.00 72.50 71.68 1ha6 s THR 13 CO 0.35 -0.44 1.78 -2.16 -0.69 0.00 0.00 174.62 173.47 1ha6 s PRO 14 N 2.33 3.25 0.04 4.92 0.04 -1.26 -5.00 135.00 139.32 1ha6 s PRO 14 Ca 0.09 1.29 -0.00 0.00 0.04 0.00 0.00 61.00 62.41 1ha6 s PRO 14 Cb -0.15 -4.21 -0.04 0.00 0.04 0.00 0.00 34.50 30.14 1ha6 s PRO 14 CO -0.29 -1.96 0.18 -0.48 0.04 0.00 0.00 177.00 174.49 1ha6 s LEU 15 N 7.11 4.25 0.62 -3.56 2.34 -1.26 -5.09 118.68 123.09 1ha6 s LEU 15 Ca 0.77 0.24 -0.18 0.00 0.06 0.00 0.00 54.13 55.02 1ha6 s LEU 15 Cb -0.20 -2.76 -0.02 0.00 -0.56 0.00 0.00 46.19 42.64 1ha6 s LEU 15 CO 0.32 0.20 1.18 -2.16 -1.06 0.00 0.00 176.35 174.83 1ha6 s PRO 16 N -2.30 2.86 0.41 1.48 0.04 -1.26 -4.88 135.00 131.34 1ha6 s PRO 16 Ca 0.32 1.71 0.19 0.00 0.04 0.00 0.00 61.00 63.26 1ha6 s PRO 16 Cb -0.13 -1.93 1.04 0.00 0.04 0.00 0.00 34.50 33.52 1ha6 s PRO 16 CO 0.24 -1.27 1.52 0.66 0.04 0.00 0.00 177.00 178.20 1ha6 h SER 17 N 0.59 0.00 0.13 6.66 4.64 -1.93 0.82 113.55 124.45 1ha6 h SER 17 Ca -0.49 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.83 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 0.54 0.00 -0.00 -0.09 -0.87 0.00 0.00 176.83 176.41 1ha6 h ARG 18 N 0.00 0.00 -0.22 4.77 2.43 -1.98 0.91 114.38 120.29 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 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 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 -2.09 2.38 -2.81 2.80 0.00 0.28 -4.93 120.51 116.14 1ha6 n ALA 19 Ca -0.03 -0.87 -0.38 0.00 0.00 0.00 0.00 53.44 52.16 1ha6 n ALA 19 Cb 0.10 -0.57 -0.12 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.18 4.79 -0.24 0.00 1.09 0.31 -3.45 121.20 122.51 1ha6 s ILE 20 Ca 0.24 -0.18 -0.02 0.00 -1.10 0.00 0.00 60.65 59.60 1ha6 s ILE 20 Cb 0.15 -3.35 -0.17 0.00 -1.06 0.00 0.00 42.46 38.03 1ha6 s ILE 20 CO 0.21 0.18 -0.17 1.33 -0.10 0.00 0.00 174.94 176.39 1ha6 n VAL 21 N 5.00 1.53 -3.81 2.92 0.24 -1.07 -4.96 118.33 118.17 1ha6 n VAL 21 Ca -0.14 -0.55 -0.13 0.00 -2.04 0.00 0.00 64.34 61.49 1ha6 n VAL 21 Cb 0.51 -1.53 -0.13 0.00 -1.47 0.00 0.00 33.84 31.22 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 -6.24 -0.10 0.28 7.63 0.00 -1.00 -5.05 107.32 102.84 1ha6 s GLY 22 Ca -0.34 0.43 -0.12 0.00 0.00 0.00 0.00 44.72 44.69 1ha6 s GLY 22 CO 0.61 0.42 0.53 -0.11 0.00 0.00 0.00 173.10 174.55 1ha6 s PHE 23 N 0.21 0.38 0.23 1.90 -0.71 -1.26 0.24 117.98 118.98 1ha6 s PHE 23 Ca -0.01 -0.77 -0.08 0.00 -1.04 0.00 0.00 56.93 55.04 1ha6 s PHE 23 Cb -0.02 0.27 -0.02 0.00 -1.21 0.00 0.00 43.02 42.04 1ha6 s PHE 23 CO -0.01 -1.10 0.33 0.99 -1.34 0.00 0.00 175.22 174.10 1ha6 s THR 24 N -3.71 0.00 -0.02 -4.49 2.01 0.16 -4.99 115.64 104.60 1ha6 s THR 24 Ca 0.22 -1.66 -0.03 0.00 0.31 0.00 0.00 61.69 60.53 1ha6 s THR 24 Cb -0.02 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.12 1ha6 s THR 24 CO 0.11 0.00 0.15 -0.13 -0.69 0.00 0.00 174.62 174.06 1ha6 s ARG 25 N -4.05 3.34 -0.01 4.92 1.81 -1.26 -0.96 118.95 122.74 1ha6 s ARG 25 Ca 0.30 -0.34 0.01 0.00 -1.72 0.00 0.00 55.73 53.98 1ha6 s ARG 25 Cb 0.03 -3.05 0.01 0.00 -0.45 0.00 0.00 34.95 31.49 1ha6 s ARG 25 CO 0.11 0.68 -0.03 -1.14 -0.68 0.00 0.00 175.30 174.24 1ha6 s GLN 26 N -1.75 0.30 0.16 3.54 -0.44 -0.04 -4.82 119.66 116.61 1ha6 s GLN 26 Ca 0.24 -0.08 0.11 0.00 -2.50 0.00 0.00 55.36 53.14 1ha6 s GLN 26 Cb -0.12 -0.34 -0.04 0.00 -1.64 0.00 0.00 33.01 30.87 1ha6 s GLN 26 CO 0.15 0.02 -0.25 -1.64 0.50 0.00 0.00 175.29 174.07 1ha6 s MET 27 N 0.21 1.44 -0.66 1.67 -1.94 -1.26 -1.92 119.30 116.85 1ha6 s MET 27 Ca -0.02 -1.43 -0.26 0.00 -1.71 0.00 0.00 55.69 52.27 1ha6 s MET 27 Cb -0.05 -1.84 -0.02 0.00 2.01 0.00 0.00 34.83 34.93 1ha6 s MET 27 CO -0.00 0.42 1.87 0.00 -0.01 0.00 0.00 175.02 177.29 1ha6 s ALA 28 N -1.38 2.10 0.09 3.03 0.00 -1.25 -4.10 121.76 120.24 1ha6 s ALA 28 Ca 0.17 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1ha6 s ALA 28 Cb -0.09 -4.34 0.00 0.00 0.00 0.00 0.00 23.12 18.69 1ha6 s ALA 28 CO 0.08 -4.03 0.00 -0.25 0.00 0.00 0.00 175.76 171.55 1ha6 n ASP 29 N 12.93 -0.81 -2.52 0.00 8.00 0.19 -4.89 116.55 129.46 1ha6 n ASP 29 Ca 0.23 0.33 0.00 0.00 0.71 0.00 0.00 54.79 56.06 1ha6 n ASP 29 Cb 0.51 0.99 0.00 0.00 -0.02 0.00 0.00 41.12 42.61 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 -2.51 2.49 0.22 -1.24 4.07 -1.26 -4.74 120.64 117.67 1ha6 n GLU 30 Ca 0.00 0.00 0.18 0.00 -0.06 0.00 0.00 57.16 57.28 1ha6 n GLU 30 Cb 0.00 0.00 0.82 0.00 -0.06 0.00 0.00 31.44 32.20 1ha6 n GLU 30 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ha6 h ALA 31 N -2.00 1.69 -2.71 4.31 0.00 -1.97 -3.38 119.26 115.20 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 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1ha6 h ALA 31 CO 0.00 -0.41 -0.38 0.00 0.00 0.00 0.00 179.25 178.45 1ha6 n ASP 33 N 1.30 2.39 -4.20 0.00 4.64 -1.26 -0.64 116.55 118.79 1ha6 n ASP 33 Ca -0.13 -1.68 -0.16 0.00 -1.38 0.00 0.00 54.79 51.45 1ha6 n ASP 33 Cb 0.53 -0.07 -0.11 0.00 -1.04 0.00 0.00 41.12 40.44 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 -1.13 1.07 0.17 5.18 -4.36 -1.26 -4.63 121.20 116.24 1ha6 s ILE 34 Ca 0.19 -1.64 -0.30 0.00 -0.26 0.00 0.00 60.65 58.64 1ha6 s ILE 34 Cb 0.12 -1.39 -0.08 0.00 1.25 0.00 0.00 42.46 42.37 1ha6 s ILE 34 CO 0.18 -0.49 1.17 0.54 0.24 0.00 0.00 174.94 176.58 1ha6 s ASN 35 N -2.40 7.14 0.05 4.36 2.20 -1.26 -3.90 114.94 121.13 1ha6 s ASN 35 Ca 0.06 2.16 -0.14 0.00 -0.94 0.00 0.00 52.86 54.01 1ha6 s ASN 35 Cb -0.04 -2.60 0.02 0.00 -2.00 0.00 0.00 41.25 36.63 1ha6 s ASN 35 CO 0.01 -0.34 0.31 0.00 -2.94 0.00 0.00 177.10 174.14 1ha6 s ALA 36 N 0.03 -0.69 -0.38 3.54 0.00 -0.81 -4.09 121.76 119.37 1ha6 s ALA 36 Ca 0.53 -0.03 -0.06 0.00 0.00 0.00 0.00 51.96 52.40 1ha6 s ALA 36 Cb -0.31 0.37 0.07 0.00 0.00 0.00 0.00 23.12 23.25 1ha6 s ALA 36 CO 0.35 -0.44 0.17 0.42 0.00 0.00 0.00 175.76 176.26 1ha6 s ILE 37 N -2.75 3.68 -0.62 0.00 -1.09 0.17 -0.86 121.20 119.72 1ha6 s ILE 37 Ca -0.04 -1.51 -0.26 0.00 -2.23 0.00 0.00 60.65 56.61 1ha6 s ILE 37 Cb -0.00 -3.26 -0.06 0.00 -1.58 0.00 0.00 42.46 37.56 1ha6 s ILE 37 CO -0.05 -0.42 2.14 -0.63 -1.23 0.00 0.00 174.94 174.76 1ha6 s ILE 38 N 1.32 3.20 0.08 2.92 1.01 -0.13 -1.78 121.20 127.81 1ha6 s ILE 38 Ca 0.02 0.03 -0.10 0.00 0.00 0.00 0.00 60.65 60.60 1ha6 s ILE 38 Cb -0.22 -3.50 -0.06 0.00 0.01 0.00 0.00 42.46 38.69 1ha6 s ILE 38 CO 0.00 -0.48 0.41 -0.36 0.00 0.00 0.00 174.94 174.50 1ha6 s PHE 39 N 11.04 3.59 -0.41 3.97 0.08 0.21 0.36 117.98 136.82 1ha6 s PHE 39 Ca 0.82 0.80 0.01 0.00 0.12 0.00 0.00 56.93 58.68 1ha6 s PHE 39 Cb -0.13 -2.17 0.14 0.00 -0.57 0.00 0.00 43.02 40.29 1ha6 s PHE 39 CO 0.18 0.52 0.24 -1.01 -0.10 0.00 0.00 175.22 175.05 1ha6 s HIS 40 N -1.39 1.42 0.35 0.36 3.76 0.14 0.20 115.29 120.13 1ha6 s HIS 40 Ca 0.33 -2.10 -0.06 0.00 -0.15 0.00 0.00 55.06 53.08 1ha6 s HIS 40 Cb -0.14 -1.42 0.09 0.00 1.11 0.00 0.00 32.58 32.22 1ha6 s HIS 40 CO 0.18 -0.80 0.31 0.25 -0.85 0.00 0.00 174.74 173.83 1ha6 n THR 41 N 3.67 0.00 0.71 1.30 -2.24 -1.12 -2.38 114.28 114.21 1ha6 n THR 41 Ca 0.12 -0.14 0.12 0.00 -2.27 0.00 0.00 64.05 61.88 1ha6 n THR 41 Cb 0.37 -1.04 0.18 0.00 -2.10 0.00 0.00 70.33 67.73 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 -2.48 0.20 -2.71 -0.78 4.81 -1.22 -4.37 118.16 111.60 1ha6 n LYS 42 Ca 0.04 0.04 -0.06 0.00 -0.87 0.00 0.00 58.31 57.47 1ha6 n LYS 42 Cb 0.17 -1.61 0.07 0.00 0.02 0.00 0.00 35.03 33.68 1ha6 n LYS 42 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1ha6 n LYS 43 N -1.89 1.31 -3.59 1.64 4.81 -1.26 -5.07 118.16 114.11 1ha6 n LYS 43 Ca 0.04 -2.69 -0.01 0.00 -0.87 0.00 0.00 58.31 54.78 1ha6 n LYS 43 Cb 0.41 -0.81 -0.06 0.00 0.02 0.00 0.00 35.03 34.59 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 -2.02 0.34 1.48 1.64 3.52 -1.26 -5.17 118.95 117.47 1ha6 s ARG 44 Ca 0.23 0.65 -0.25 0.00 -0.13 0.00 0.00 55.73 56.23 1ha6 s ARG 44 Cb 0.41 0.15 0.38 0.00 -1.56 0.00 0.00 34.95 34.34 1ha6 s ARG 44 CO -0.03 -0.08 0.88 1.63 -0.81 0.00 0.00 175.30 176.89 1ha6 n LYS 45 N 3.96 -4.89 -1.71 5.12 5.02 -1.26 -2.78 118.16 121.61 1ha6 n LYS 45 Ca -0.16 -1.48 -0.57 0.00 -2.02 0.00 0.00 58.31 54.08 1ha6 n LYS 45 Cb 0.56 -1.90 -0.07 0.00 -0.02 0.00 0.00 35.03 33.60 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 -5.84 2.47 -4.41 4.39 3.41 -1.24 -4.53 113.62 107.86 1ha6 n SER 46 Ca 0.14 1.07 -0.35 0.00 -0.26 0.00 0.00 58.87 59.47 1ha6 n SER 46 Cb 0.60 -1.15 -0.13 0.00 -0.26 0.00 0.00 64.21 63.27 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 3.62 3.71 -0.44 -3.33 1.01 0.13 -4.87 120.40 120.24 1ha6 s VAL 47 Ca 0.98 -0.40 -0.15 0.00 0.00 0.00 0.00 61.98 62.42 1ha6 s VAL 47 Cb -1.05 -2.67 0.05 0.00 0.00 0.00 0.00 36.38 32.71 1ha6 s VAL 47 CO 0.65 0.44 0.34 0.00 0.00 0.00 0.00 175.10 176.53 1ha6 s ALA 49 N 1.65 2.41 0.09 0.00 0.00 -0.74 -1.43 121.76 123.75 1ha6 s ALA 49 Ca 0.04 -1.22 -0.37 0.00 0.00 0.00 0.00 51.96 50.41 1ha6 s ALA 49 Cb -0.21 -1.28 -0.17 0.00 0.00 0.00 0.00 23.12 21.46 1ha6 s ALA 49 CO 0.08 -0.38 1.34 -3.47 0.00 0.00 0.00 175.76 173.33 1ha6 n ASP 50 N 4.65 1.65 -2.37 0.00 2.03 -1.26 0.43 116.55 121.68 1ha6 n ASP 50 Ca -0.20 1.12 -0.10 0.00 0.52 0.00 0.00 54.79 56.12 1ha6 n ASP 50 Cb 0.50 -1.19 -0.09 0.00 -0.72 0.00 0.00 41.12 39.62 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 2.52 1.41 0.01 -0.67 -0.04 -1.26 -3.69 135.00 133.28 1ha6 n PRO 51 Ca 0.18 -0.78 -0.02 0.00 -0.04 0.00 0.00 63.50 62.85 1ha6 n PRO 51 Cb 0.19 -1.93 -0.01 0.00 -0.04 0.00 0.00 33.50 31.72 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 2.94 0.04 -0.67 0.54 4.76 -1.26 -4.85 118.16 119.67 1ha6 n LYS 52 Ca 0.30 0.02 -0.32 0.00 -2.87 0.00 0.00 58.31 55.44 1ha6 n LYS 52 Cb 0.49 -0.58 0.17 0.00 -1.84 0.00 0.00 35.03 33.28 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 -3.30 -1.45 0.08 1.97 6.02 -1.24 -4.79 117.38 114.66 1ha6 n GLN 53 Ca -0.03 -0.40 -0.17 0.00 -0.01 0.00 0.00 57.00 56.40 1ha6 n GLN 53 Cb 0.33 -1.79 -0.14 0.00 1.02 0.00 0.00 30.24 29.65 1ha6 n GLN 53 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 1ha6 h ASN 54 N -2.05 0.40 -0.30 1.08 4.21 -1.97 -0.95 115.58 116.00 1ha6 h ASN 54 Ca -0.53 -0.51 -0.10 0.00 1.21 0.00 0.00 56.30 56.37 1ha6 h ASN 54 Cb 1.34 -0.13 -0.02 0.00 -1.12 0.00 0.00 38.32 38.39 1ha6 h ASN 54 CO 0.39 1.42 -0.15 4.11 -1.29 0.00 0.00 177.43 181.91 1ha6 h TRP 55 N 0.07 0.82 0.26 1.19 5.08 -1.95 0.36 115.95 121.77 1ha6 h TRP 55 Ca -0.21 -0.16 -0.01 0.00 1.08 0.00 0.00 58.89 59.59 1ha6 h TRP 55 Cb 2.00 -0.21 0.00 0.00 -3.00 0.00 0.00 29.16 27.96 1ha6 h TRP 55 CO 0.06 0.84 -0.12 0.28 -1.28 0.00 0.00 178.44 178.22 1ha6 h VAL 56 N 0.66 0.65 -0.70 0.12 2.07 -1.90 -2.39 116.25 114.77 1ha6 h VAL 56 Ca 0.11 -0.87 0.04 0.00 0.82 0.00 0.00 66.70 66.80 1ha6 h VAL 56 Cb 0.63 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 1ha6 h VAL 56 CO 0.04 0.15 0.46 0.07 0.02 0.00 0.00 177.57 178.31 1ha6 h LYS 57 N -0.88 0.77 -0.29 1.57 2.10 -1.06 0.11 116.57 118.90 1ha6 h LYS 57 Ca -0.04 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 58.56 1ha6 h LYS 57 Cb 0.51 -0.17 -0.01 0.00 -0.90 0.00 0.00 32.23 31.65 1ha6 h LYS 57 CO 0.06 0.51 0.14 -0.09 -2.00 0.00 0.00 179.45 178.07 1ha6 h ARG 58 N 0.80 0.41 -0.16 0.07 2.43 -0.28 0.89 114.38 118.53 1ha6 h ARG 58 Ca 0.29 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 1ha6 h ARG 58 Cb 0.13 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1ha6 h ARG 58 CO -0.09 0.40 -0.01 0.00 -1.51 0.00 0.00 179.97 178.76 1ha6 h ALA 59 N 0.99 0.22 -0.59 2.80 0.00 -0.88 -2.54 119.26 119.26 1ha6 h ALA 59 Ca 0.10 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.84 1ha6 h ALA 59 Cb 0.12 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1ha6 h ALA 59 CO -0.01 -0.06 0.39 0.28 0.00 0.00 0.00 179.25 179.85 1ha6 h VAL 60 N 0.03 1.04 0.27 0.00 2.07 -0.63 -2.46 116.25 116.56 1ha6 h VAL 60 Ca 0.04 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1ha6 h VAL 60 Cb 0.41 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1ha6 h VAL 60 CO 0.01 0.12 -0.13 -1.13 0.02 0.00 0.00 177.57 176.45 1ha6 h ASN 61 N 0.64 -0.32 -0.42 0.57 -1.24 0.12 0.78 115.58 115.70 1ha6 h ASN 61 Ca 0.25 0.01 0.03 0.00 0.71 0.00 0.00 56.30 57.30 1ha6 h ASN 61 Cb 0.18 0.08 -0.02 0.00 0.73 0.00 0.00 38.32 39.29 1ha6 h ASN 61 CO -0.07 -0.23 0.28 -0.07 -1.29 0.00 0.00 177.43 176.06 1ha6 h LEU 62 N -0.37 0.39 -0.57 0.34 -0.00 -1.14 0.48 115.31 114.44 1ha6 h LEU 62 Ca -0.04 -0.01 -0.14 0.00 -0.00 0.00 0.00 57.88 57.70 1ha6 h LEU 62 Cb 0.29 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 40.85 1ha6 h LEU 62 CO 0.06 0.27 -0.39 0.25 -0.00 0.00 0.00 178.44 178.63 1ha6 h LEU 63 N 0.45 0.76 -1.65 1.67 6.46 -0.90 -2.15 115.31 119.96 1ha6 h LEU 63 Ca 0.17 -0.34 0.00 0.00 -0.12 0.00 0.00 57.88 57.60 1ha6 h LEU 63 Cb 0.12 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 39.82 1ha6 h LEU 63 CO -0.04 1.06 0.23 -1.28 -0.62 0.00 0.00 178.44 177.79 1ha6 h SER 64 N 0.59 0.41 1.18 1.25 0.87 0.28 0.81 113.55 118.94 1ha6 h SER 64 Ca 0.05 -0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.44 1ha6 h SER 64 Cb 0.92 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.76 1ha6 h SER 64 CO 0.08 0.30 -0.84 -0.07 -0.53 0.00 0.00 176.83 175.78 1ha6 h LEU 65 N 0.48 0.00 0.02 2.23 3.38 -1.29 -2.63 115.31 117.50 1ha6 h LEU 65 Ca 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 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 -0.03 0.76 -0.01 -0.09 0.09 0.00 0.00 178.44 179.16 1ha6 h ARG 66 N 0.00 -0.03 -1.68 1.13 9.65 -0.43 -3.35 114.38 119.67 1ha6 h ARG 66 Ca -0.03 0.00 -0.45 0.00 -1.10 0.00 0.00 59.98 58.41 1ha6 h ARG 66 Cb 1.60 0.01 -0.17 0.00 -1.39 0.00 0.00 29.97 30.01 1ha6 h ARG 66 CO 0.09 -0.02 0.48 0.28 2.80 0.00 0.00 179.97 183.60 1ha6 n VAL 67 N -2.48 3.11 -2.10 0.20 0.31 0.26 -4.96 118.33 112.67 1ha6 n VAL 67 Ca -0.00 -2.41 -0.40 0.00 -0.01 0.00 0.00 64.34 61.51 1ha6 n VAL 67 Cb 0.01 -1.42 -0.01 0.00 -0.91 0.00 0.00 33.84 31.51 1ha6 n VAL 67 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1ha6 s LYS 68 N -2.06 4.10 -0.33 5.55 2.20 -0.99 -4.80 119.74 123.41 1ha6 s LYS 68 Ca 0.46 2.14 0.10 0.00 -0.36 0.00 0.00 55.97 58.31 1ha6 s LYS 68 Cb 0.33 -2.85 0.46 0.00 -1.51 0.00 0.00 37.83 34.26 1ha6 s LYS 68 CO -0.11 -0.38 1.14 1.17 -0.36 0.00 0.00 175.35 176.81 1ha6 n LYS 69 N 0.33 3.08 0.00 4.03 0.00 -1.26 -5.07 118.16 119.26 1ha6 n LYS 69 Ca 0.03 -4.08 0.06 0.00 0.00 0.00 0.00 58.31 54.31 1ha6 n LYS 69 Cb 0.43 -2.08 0.05 0.00 0.00 0.00 0.00 35.03 33.43 1ha6 n LYS 69 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28