#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hg6 s SER 2 N 0.00 5.83 0.34 6.12 1.04 -1.26 -4.72 113.70 121.05 2hg6 s SER 2 Ca 0.00 -0.12 -0.28 0.00 0.48 0.00 0.00 55.95 56.03 2hg6 s SER 2 Cb 0.00 -1.58 -0.10 0.00 0.10 0.00 0.00 66.02 64.44 2hg6 s SER 2 CO 0.00 -0.04 1.23 -0.63 0.98 0.00 0.00 173.24 174.78 2hg6 s ILE 3 N -2.05 2.96 0.29 -1.02 -1.09 -1.26 -5.00 121.20 114.02 2hg6 s ILE 3 Ca 0.33 0.92 -0.00 0.00 -2.23 0.00 0.00 60.65 59.67 2hg6 s ILE 3 Cb -0.08 -3.57 0.06 0.00 -1.58 0.00 0.00 42.46 37.28 2hg6 s ILE 3 CO 0.26 0.19 0.40 0.35 -1.23 0.00 0.00 174.94 174.91 2hg6 n THR 4 N 0.67 0.00 -0.36 2.92 -2.24 -1.26 -5.08 114.28 108.93 2hg6 n THR 4 Ca 0.01 -0.60 -0.06 0.00 -2.27 0.00 0.00 64.05 61.12 2hg6 n THR 4 Cb 0.44 -1.22 0.06 0.00 -2.10 0.00 0.00 70.33 67.50 2hg6 n THR 4 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2hg6 n SER 5 N -2.98 -1.80 0.22 3.42 7.64 -1.26 -4.72 113.62 114.14 2hg6 n SER 5 Ca 0.06 -0.44 0.17 0.00 1.01 0.00 0.00 58.87 59.68 2hg6 n SER 5 Cb 0.23 -0.21 0.76 0.00 -1.01 0.00 0.00 64.21 63.98 2hg6 n SER 5 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2hg6 h THR 6 N -2.03 0.17 -0.69 0.44 2.02 -2.02 -1.17 112.91 109.62 2hg6 h THR 6 Ca -0.09 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.29 2hg6 h THR 6 Cb 0.28 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 2hg6 h THR 6 CO 0.05 0.00 0.57 0.44 0.37 0.00 0.00 175.52 176.95 2hg6 h ASP 7 N 0.00 0.00 -0.87 4.18 5.19 -1.99 0.16 116.42 123.09 2hg6 h ASP 7 Ca 0.09 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.49 2hg6 h ASP 7 Cb 0.90 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.37 2hg6 h ASP 7 CO -0.00 0.00 0.51 -0.29 -3.12 0.00 0.00 179.24 176.34 2hg6 h ILE 8 N 0.00 1.24 -0.01 0.35 2.10 -1.49 0.12 117.51 119.82 2hg6 h ILE 8 Ca 0.33 -0.55 -0.19 0.00 1.08 0.00 0.00 64.86 65.53 2hg6 h ILE 8 Cb 1.46 0.03 -0.01 0.00 -1.09 0.00 0.00 36.82 37.21 2hg6 h ILE 8 CO -0.00 0.26 -0.82 0.00 -1.08 0.00 0.00 178.15 176.50 2hg6 h GLN 10 N 0.14 0.73 0.00 0.00 1.08 -0.90 -2.96 115.11 113.19 2hg6 h GLN 10 Ca -0.04 -0.56 -0.06 0.00 -1.45 0.00 0.00 58.65 56.54 2hg6 h GLN 10 Cb 1.43 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.95 2hg6 h GLN 10 CO 0.13 1.18 -0.30 0.00 -0.95 0.00 0.00 178.83 178.89 2hg6 h ALA 11 N 0.67 1.30 0.00 3.87 0.00 -0.84 -1.75 119.26 122.51 2hg6 h ALA 11 Ca -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2hg6 h ALA 11 Cb 1.33 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2hg6 h ALA 11 CO 0.15 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.77 2hg6 h ALA 12 N 1.70 1.00 0.00 0.00 0.00 -1.41 -1.67 119.26 118.88 2hg6 h ALA 12 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2hg6 h ALA 12 Cb 0.61 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2hg6 h ALA 12 CO 0.04 0.00 -1.28 -3.47 0.00 0.00 0.00 179.25 174.54 2hg6 n ASP 13 N -2.75 0.87 -0.30 0.00 2.03 -0.68 -4.00 116.55 111.71 2hg6 n ASP 13 Ca 0.01 0.37 0.14 0.00 0.52 0.00 0.00 54.79 55.82 2hg6 n ASP 13 Cb 0.24 0.23 0.64 0.00 -0.72 0.00 0.00 41.12 41.51 2hg6 n ASP 13 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2hg6 n ALA 14 N -2.33 2.61 -1.95 -1.67 0.00 -0.64 -4.85 120.51 111.67 2hg6 n ALA 14 Ca -0.07 -0.35 -0.42 0.00 0.00 0.00 0.00 53.44 52.60 2hg6 n ALA 14 Cb 0.75 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.90 2hg6 n ALA 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2hg6 s LEU 15 N -1.91 4.36 0.07 0.00 1.43 -1.12 -5.00 118.68 116.52 2hg6 s LEU 15 Ca 0.39 2.47 0.09 0.00 -1.03 0.00 0.00 54.13 56.05 2hg6 s LEU 15 Cb 0.20 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.82 2hg6 s LEU 15 CO 0.33 -0.87 -0.24 -1.59 0.23 0.00 0.00 176.35 174.21 2hg6 s LYS 16 N 2.47 1.51 0.00 1.70 -2.85 -1.26 -3.90 119.74 117.42 2hg6 s LYS 16 Ca 0.73 -1.11 0.00 0.00 -1.00 0.00 0.00 55.97 54.58 2hg6 s LYS 16 Cb -0.40 -1.75 0.00 0.00 -2.06 0.00 0.00 37.83 33.62 2hg6 s LYS 16 CO 0.32 0.44 0.00 0.41 0.10 0.00 0.00 175.35 176.62 2hg6 n GLY 17 N 1.54 3.52 3.41 0.59 0.00 -1.26 -4.60 105.19 108.39 2hg6 n GLY 17 Ca -0.17 -1.68 -0.33 0.00 0.00 0.00 0.00 46.02 43.83 2hg6 n GLY 17 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hg6 s PHE 18 N -1.89 2.90 -0.12 1.61 0.08 0.79 -0.09 117.98 121.27 2hg6 s PHE 18 Ca 0.00 -0.54 -0.04 0.00 0.12 0.00 0.00 56.93 56.47 2hg6 s PHE 18 Cb 0.00 -1.90 -0.04 0.00 -0.57 0.00 0.00 43.02 40.51 2hg6 s PHE 18 CO 0.00 -0.17 0.05 0.14 -0.10 0.00 0.00 175.22 175.14 2hg6 s VAL 19 N 0.44 4.74 -0.05 -0.44 -7.23 0.87 0.28 120.40 119.01 2hg6 s VAL 19 Ca -0.07 -0.08 -0.11 0.00 -1.81 0.00 0.00 61.98 59.92 2hg6 s VAL 19 Cb -0.15 -3.05 0.02 0.00 0.56 0.00 0.00 36.38 33.76 2hg6 s VAL 19 CO 0.04 0.58 0.25 -0.83 -0.31 0.00 0.00 175.10 174.83 2hg6 s GLY 20 N -0.64 -0.13 -0.35 2.32 0.00 0.16 -1.75 107.32 106.93 2hg6 s GLY 20 Ca 0.11 0.42 -0.29 0.00 0.00 0.00 0.00 44.72 44.96 2hg6 s GLY 20 CO 0.02 0.28 1.19 -0.12 0.00 0.00 0.00 173.10 174.47 2hg6 s PHE 21 N -0.66 2.87 -0.29 1.90 5.36 -1.26 -1.59 117.98 124.30 2hg6 s PHE 21 Ca -0.08 0.94 -0.22 0.00 -0.96 0.00 0.00 56.93 56.62 2hg6 s PHE 21 Cb -0.04 -3.97 -0.01 0.00 -0.34 0.00 0.00 43.02 38.66 2hg6 s PHE 21 CO 0.02 -1.28 0.69 1.21 -1.46 0.00 0.00 175.22 174.40 2hg6 s ASN 22 N 2.37 6.59 0.52 6.13 3.84 -0.03 -4.63 114.94 129.73 2hg6 s ASN 22 Ca 0.51 0.62 0.27 0.00 0.21 0.00 0.00 52.86 54.46 2hg6 s ASN 22 Cb -0.13 -2.36 1.44 0.00 -0.55 0.00 0.00 41.25 39.65 2hg6 s ASN 22 CO 0.23 -0.49 2.07 0.08 -2.79 0.00 0.00 177.10 176.20 2hg6 h ARG 23 N 8.05 0.00 0.04 0.43 0.11 -1.87 0.35 114.38 121.50 2hg6 h ARG 23 Ca -0.26 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.82 2hg6 h ARG 23 Cb 1.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.19 2hg6 h ARG 23 CO 0.82 0.12 -0.02 0.87 0.10 0.00 0.00 179.97 181.86 2hg6 h LYS 24 N 0.00 -0.05 0.00 0.08 1.57 -1.93 -3.32 116.57 112.92 2hg6 h LYS 24 Ca -0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 2hg6 h LYS 24 Cb 0.33 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 2hg6 h LYS 24 CO 0.02 0.61 -0.72 1.79 -0.57 0.00 0.00 179.45 180.58 2hg6 h THR 25 N -0.87 1.11 -0.03 -0.16 1.35 -1.98 -3.47 112.91 108.86 2hg6 h THR 25 Ca -0.01 -2.59 -0.01 0.00 -0.55 0.00 0.00 66.41 63.26 2hg6 h THR 25 Cb 0.68 2.54 -0.00 0.00 -1.73 0.00 0.00 68.15 69.64 2hg6 h THR 25 CO 0.01 0.63 -0.01 0.61 -0.25 0.00 0.00 175.52 176.51 2hg6 n GLY 26 N 1.28 0.38 3.32 5.82 0.00 0.12 -5.04 105.19 111.06 2hg6 n GLY 26 Ca 0.01 -0.96 -0.17 0.00 0.00 0.00 0.00 46.02 44.90 2hg6 n GLY 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hg6 s ARG 27 N -3.22 1.39 -0.46 1.61 0.52 -1.17 -4.95 118.95 112.67 2hg6 s ARG 27 Ca 0.00 -1.75 -0.18 0.00 -0.52 0.00 0.00 55.73 53.28 2hg6 s ARG 27 Cb 0.00 -0.32 0.05 0.00 0.52 0.00 0.00 34.95 35.20 2hg6 s ARG 27 CO 0.00 -0.26 0.51 -0.47 0.02 0.00 0.00 175.30 175.10 2hg6 s TYR 28 N -3.70 3.13 0.25 -0.53 5.04 -1.26 -0.85 117.35 119.43 2hg6 s TYR 28 Ca 0.36 -0.52 0.11 0.00 -2.44 0.00 0.00 57.07 54.57 2hg6 s TYR 28 Cb 0.08 -3.22 -0.05 0.00 0.35 0.00 0.00 41.96 39.12 2hg6 s TYR 28 CO 0.13 -0.86 -0.12 0.96 -1.34 0.00 0.00 175.55 174.32 2hg6 s ILE 29 N 2.28 2.92 0.05 3.14 -5.25 -0.62 -4.88 121.20 118.83 2hg6 s ILE 29 Ca 0.12 -2.07 0.02 0.00 -0.99 0.00 0.00 60.65 57.73 2hg6 s ILE 29 Cb -0.19 -2.51 -0.04 0.00 2.95 0.00 0.00 42.46 42.67 2hg6 s ILE 29 CO 0.12 -0.31 0.10 0.54 -1.79 0.00 0.00 174.94 173.60 2hg6 s VAL 30 N -2.21 4.71 -0.08 8.37 0.11 -1.26 -0.67 120.40 129.36 2hg6 s VAL 30 Ca 0.29 -0.61 -0.23 0.00 -2.93 0.00 0.00 61.98 58.50 2hg6 s VAL 30 Cb -0.06 -3.24 0.05 0.00 -1.53 0.00 0.00 36.38 31.60 2hg6 s VAL 30 CO 0.16 0.19 0.53 -0.60 -3.33 0.00 0.00 175.10 172.05 2hg6 s ARG 31 N -2.22 0.83 0.00 1.54 6.06 0.14 -4.96 118.95 120.34 2hg6 s ARG 31 Ca 0.28 0.26 0.25 0.00 -2.50 0.00 0.00 55.73 54.02 2hg6 s ARG 31 Cb -0.12 0.39 0.47 0.00 0.06 0.00 0.00 34.95 35.74 2hg6 s ARG 31 CO 0.21 -0.21 1.38 1.19 -2.50 0.00 0.00 175.30 175.37 2hg6 n PHE 32 N 1.54 0.00 -4.07 5.12 3.72 -1.26 -0.15 117.46 122.37 2hg6 n PHE 32 Ca -0.18 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 56.90 2hg6 n PHE 32 Cb 0.56 -0.08 -0.15 0.00 -0.94 0.00 0.00 39.48 38.88 2hg6 n PHE 32 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2hg6 s SER 33 N -2.51 4.40 0.44 4.37 0.01 -1.26 -4.89 113.70 114.26 2hg6 s SER 33 Ca 0.22 -1.36 0.13 0.00 1.31 0.00 0.00 55.95 56.25 2hg6 s SER 33 Cb 0.19 -1.55 0.99 0.00 0.21 0.00 0.00 66.02 65.86 2hg6 s SER 33 CO 0.55 -0.18 2.01 -0.33 0.41 0.00 0.00 173.24 175.70 2hg6 h GLU 34 N 7.79 0.10 0.00 12.44 5.08 -1.97 -1.57 114.58 136.44 2hg6 h GLU 34 Ca -0.20 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2hg6 h GLU 34 Cb 1.05 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2hg6 h GLU 34 CO 0.47 0.20 0.00 -3.47 -1.00 0.00 0.00 179.01 175.22 2hg6 n ASP 35 N -4.37 0.00 -0.47 1.42 2.03 -1.26 -2.18 116.55 111.73 2hg6 n ASP 35 Ca -0.02 0.17 0.13 0.00 0.52 0.00 0.00 54.79 55.59 2hg6 n ASP 35 Cb 0.20 -0.34 0.41 0.00 -0.72 0.00 0.00 41.12 40.67 2hg6 n ASP 35 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2hg6 n SER 36 N -1.34 1.56 -4.45 1.67 2.88 -0.59 -4.77 113.62 108.59 2hg6 n SER 36 Ca 0.06 -1.38 -0.36 0.00 -1.33 0.00 0.00 58.87 55.86 2hg6 n SER 36 Cb 0.13 0.06 -0.12 0.00 -0.75 0.00 0.00 64.21 63.53 2hg6 n SER 36 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2hg6 s PHE 37 N -2.17 3.08 0.00 0.66 0.08 -0.93 -5.07 117.98 113.63 2hg6 s PHE 37 Ca 0.32 -0.43 0.00 0.00 0.12 0.00 0.00 56.93 56.94 2hg6 s PHE 37 Cb 0.20 -2.20 0.00 0.00 -0.57 0.00 0.00 43.02 40.45 2hg6 s PHE 37 CO 0.40 -0.33 0.00 0.41 -0.10 0.00 0.00 175.22 175.60 2hg6 n GLY 38 N 4.75 0.77 0.20 4.36 0.00 -1.26 -4.95 105.19 109.07 2hg6 n GLY 38 Ca -0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.94 2hg6 n GLY 38 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2hg6 n MET 39 N 0.00 1.64 -0.04 1.61 0.00 -1.26 -4.45 117.12 114.62 2hg6 n MET 39 Ca 0.00 -0.44 -0.12 0.00 0.00 0.00 0.00 57.70 57.14 2hg6 n MET 39 Cb 0.00 -1.28 -0.06 0.00 0.00 0.00 0.00 33.22 31.87 2hg6 n MET 39 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 2hg6 h ASP 40 N 0.99 0.22 -3.87 3.17 3.32 -1.98 -3.40 116.42 114.87 2hg6 h ASP 40 Ca 0.00 -0.28 -0.64 0.00 0.02 0.00 0.00 57.03 56.13 2hg6 h ASP 40 Cb 0.49 -0.06 -0.17 0.00 0.22 0.00 0.00 39.33 39.81 2hg6 h ASP 40 CO 0.00 0.45 -0.48 -0.69 -1.72 0.00 0.00 179.24 176.80 2hg6 s VAL 41 N -5.08 5.29 0.49 -1.35 1.01 -1.26 -4.51 120.40 114.99 2hg6 s VAL 41 Ca -0.14 0.20 -0.23 0.00 0.00 0.00 0.00 61.98 61.81 2hg6 s VAL 41 Cb 0.06 -3.56 -0.06 0.00 0.00 0.00 0.00 36.38 32.81 2hg6 s VAL 41 CO 0.71 0.22 1.30 0.00 0.00 0.00 0.00 175.10 177.33 2hg6 s ALA 42 N 1.80 2.97 0.45 5.51 0.00 -1.26 -4.68 121.76 126.55 2hg6 s ALA 42 Ca 0.08 1.21 0.16 0.00 0.00 0.00 0.00 51.96 53.40 2hg6 s ALA 42 Cb -0.16 -3.50 1.07 0.00 0.00 0.00 0.00 23.12 20.53 2hg6 s ALA 42 CO 0.11 -1.06 2.01 0.38 0.00 0.00 0.00 175.76 177.21 2hg6 h ASP 43 N 1.89 0.00 1.83 0.00 2.03 -1.95 -0.69 116.42 119.54 2hg6 h ASP 43 Ca -0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 2hg6 h ASP 43 Cb 1.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.77 2hg6 h ASP 43 CO 0.59 0.16 0.00 -2.24 -1.03 0.00 0.00 179.24 176.72 2hg6 h ASP 44 N 0.00 0.00 0.50 4.15 2.03 -2.03 -2.99 116.42 118.08 2hg6 h ASP 44 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2hg6 h ASP 44 Cb 0.29 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.79 2hg6 h ASP 44 CO 0.02 0.00 -0.46 -1.54 -1.03 0.00 0.00 179.24 176.23 2hg6 n SER 45 N -2.88 0.52 -4.56 4.15 3.41 -0.31 -4.69 113.62 109.26 2hg6 n SER 45 Ca 0.04 -0.27 -0.41 0.00 -0.26 0.00 0.00 58.87 57.97 2hg6 n SER 45 Cb 0.50 0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 64.63 2hg6 n SER 45 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2hg6 s ILE 46 N -2.96 3.82 -0.08 -1.33 1.01 -0.90 -4.33 121.20 116.41 2hg6 s ILE 46 Ca 0.12 0.58 0.03 0.00 0.00 0.00 0.00 60.65 61.38 2hg6 s ILE 46 Cb 0.18 -4.84 0.01 0.00 0.01 0.00 0.00 42.46 37.82 2hg6 s ILE 46 CO 0.68 -1.66 -0.18 -0.89 0.00 0.00 0.00 174.94 172.89 2hg6 s THR 47 N 5.52 1.59 0.34 2.92 2.01 -0.72 -4.95 115.64 122.35 2hg6 s THR 47 Ca 0.38 -0.74 -0.28 0.00 0.31 0.00 0.00 61.69 61.36 2hg6 s THR 47 Cb -0.08 -1.40 -0.12 0.00 0.01 0.00 0.00 72.50 70.90 2hg6 s THR 47 CO 0.19 0.46 1.30 -2.65 -0.69 0.00 0.00 174.62 173.22 2hg6 n PRO 48 N 3.71 2.13 0.25 4.92 -0.02 -1.26 -0.09 135.00 144.64 2hg6 n PRO 48 Ca -0.21 0.75 0.14 0.00 -2.02 0.00 0.00 63.50 62.16 2hg6 n PRO 48 Cb 0.52 -2.33 0.82 0.00 -0.02 0.00 0.00 33.50 32.49 2hg6 n PRO 48 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hg6 h THR 49 N 2.58 0.64 -0.21 3.45 1.03 -0.78 0.22 112.91 119.84 2hg6 h THR 49 Ca -0.46 0.00 -0.13 0.00 -0.01 0.00 0.00 66.41 65.81 2hg6 h THR 49 Cb 1.28 0.95 0.00 0.00 -1.07 0.00 0.00 68.15 69.31 2hg6 h THR 49 CO 0.63 0.00 -0.39 0.77 -0.01 0.00 0.00 175.52 176.53 2hg6 h SER 50 N 0.00 0.71 1.10 0.00 4.64 -1.81 -2.91 113.55 115.27 2hg6 h SER 50 Ca 0.03 -0.54 -0.05 0.00 -0.47 0.00 0.00 61.79 60.76 2hg6 h SER 50 Cb 0.15 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 2hg6 h SER 50 CO -0.00 1.11 -0.23 -0.08 -0.87 0.00 0.00 176.83 176.76 2hg6 h GLU 51 N 0.33 0.00 -0.23 4.77 4.81 -1.29 -3.13 114.58 119.83 2hg6 h GLU 51 Ca 0.01 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 2hg6 h GLU 51 Cb 0.98 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 2hg6 h GLU 51 CO 0.09 0.23 -0.12 0.35 -0.73 0.00 0.00 179.01 178.83 2hg6 h PHE 52 N 0.00 0.57 0.00 0.92 3.57 -0.59 -3.17 116.94 118.24 2hg6 h PHE 52 Ca -0.00 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.33 2hg6 h PHE 52 Cb 0.84 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.45 2hg6 h PHE 52 CO 0.00 0.77 -0.11 -0.39 -2.23 0.00 0.00 178.31 176.34 2hg6 h VAL 53 N 0.21 0.26 -3.55 1.41 -1.51 -1.46 -3.41 116.25 108.20 2hg6 h VAL 53 Ca 0.05 -0.91 -0.61 0.00 -1.23 0.00 0.00 66.70 64.00 2hg6 h VAL 53 Cb 0.62 1.72 -0.12 0.00 -2.13 0.00 0.00 31.29 31.38 2hg6 h VAL 53 CO 0.04 0.11 0.01 0.26 -1.23 0.00 0.00 177.57 176.76 2hg6 s TRP 54 N -3.57 3.29 -0.23 5.19 0.52 -1.20 0.22 118.94 123.16 2hg6 s TRP 54 Ca 0.02 0.69 0.02 0.00 0.02 0.00 0.00 56.10 56.85 2hg6 s TRP 54 Cb 0.09 -2.73 0.04 0.00 -1.15 0.00 0.00 33.47 29.72 2hg6 s TRP 54 CO 0.61 -0.26 -0.13 -1.12 0.02 0.00 0.00 176.95 176.07 2hg6 s SER 55 N 1.46 4.02 0.03 2.95 0.01 0.05 -4.91 113.70 117.30 2hg6 s SER 55 Ca 0.22 -1.12 -0.30 0.00 1.31 0.00 0.00 55.95 56.06 2hg6 s SER 55 Cb -0.16 -1.54 -0.06 0.00 0.21 0.00 0.00 66.02 64.48 2hg6 s SER 55 CO 0.09 -0.13 1.29 -0.55 0.41 0.00 0.00 173.24 174.35 2hg6 s SER 56 N 1.18 6.97 0.00 2.44 0.15 -1.26 -0.50 113.70 122.67 2hg6 s SER 56 Ca -0.04 2.06 0.19 0.00 0.70 0.00 0.00 55.95 58.85 2hg6 s SER 56 Cb -0.18 -2.57 0.16 0.00 -1.71 0.00 0.00 66.02 61.73 2hg6 s SER 56 CO -0.08 -0.59 1.11 1.33 1.20 0.00 0.00 173.24 176.21 2hg6 n VAL 57 N 4.27 0.04 -1.96 4.45 0.24 0.60 -4.92 118.33 121.04 2hg6 n VAL 57 Ca 0.11 -0.52 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 2hg6 n VAL 57 Cb 0.45 1.35 0.00 0.00 -1.47 0.00 0.00 33.84 34.17 2hg6 n VAL 57 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2hg6 n ARG 58 N 1.06 0.00 0.01 7.34 3.00 -1.01 -4.98 116.66 122.08 2hg6 n ARG 58 Ca 0.11 0.00 -0.17 0.00 -0.00 0.00 0.00 57.85 57.79 2hg6 n ARG 58 Cb 0.47 0.00 -0.14 0.00 0.00 0.00 0.00 32.46 32.79 2hg6 n ARG 58 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 2hg6 h ASP 59 N 0.00 0.31 0.00 6.15 3.58 -2.02 -3.40 116.42 121.03 2hg6 h ASP 59 Ca 0.00 -0.66 0.00 0.00 0.42 0.00 0.00 57.03 56.79 2hg6 h ASP 59 Cb 0.00 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 40.95 2hg6 h ASP 59 CO 0.00 1.59 -0.03 0.47 -2.88 0.00 0.00 179.24 178.39 2hg6 n ASP 60 N -3.36 1.35 -4.24 2.28 8.00 -1.26 -5.01 116.55 114.31 2hg6 n ASP 60 Ca -0.26 -1.84 -0.36 0.00 0.71 0.00 0.00 54.79 53.04 2hg6 n ASP 60 Cb 1.05 -0.06 -0.13 0.00 -0.02 0.00 0.00 41.12 41.96 2hg6 n ASP 60 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2hg6 s VAL 61 N -0.86 3.40 -0.05 2.53 1.01 -1.26 -2.18 120.40 122.98 2hg6 s VAL 61 Ca 0.04 -1.13 0.04 0.00 0.00 0.00 0.00 61.98 60.93 2hg6 s VAL 61 Cb 0.03 -2.87 -0.02 0.00 0.00 0.00 0.00 36.38 33.51 2hg6 s VAL 61 CO 0.00 -0.05 -0.16 -0.04 0.00 0.00 0.00 175.10 174.85 2hg6 s MET 62 N 1.35 2.50 -0.05 2.72 -1.94 0.20 -0.30 119.30 123.79 2hg6 s MET 62 Ca -0.02 -0.74 -0.00 0.00 -1.71 0.00 0.00 55.69 53.22 2hg6 s MET 62 Cb -0.19 -2.34 -0.03 0.00 2.01 0.00 0.00 34.83 34.28 2hg6 s MET 62 CO 0.00 0.58 -0.00 -0.98 -0.01 0.00 0.00 175.02 174.61 2hg6 s ARG 63 N -0.63 2.89 -0.24 2.03 1.70 0.35 -0.54 118.95 124.51 2hg6 s ARG 63 Ca 0.09 -0.50 -0.29 0.00 -0.47 0.00 0.00 55.73 54.56 2hg6 s ARG 63 Cb -0.11 -2.73 -0.00 0.00 -0.57 0.00 0.00 34.95 31.54 2hg6 s ARG 63 CO 0.01 0.67 1.23 -1.17 -1.08 0.00 0.00 175.30 174.96 2hg6 s LEU 64 N -1.17 4.04 -0.51 -1.89 1.98 0.13 -0.77 118.68 120.49 2hg6 s LEU 64 Ca 0.16 1.42 -0.24 0.00 -2.89 0.00 0.00 54.13 52.58 2hg6 s LEU 64 Cb -0.11 -3.54 0.03 0.00 0.66 0.00 0.00 46.19 43.23 2hg6 s LEU 64 CO 0.06 -0.88 0.91 -0.83 -1.89 0.00 0.00 176.35 173.72 2hg6 s GLY 65 N 2.16 1.46 0.38 7.98 0.00 0.13 -4.20 107.32 115.24 2hg6 s GLY 65 Ca 0.53 -1.06 0.18 0.00 0.00 0.00 0.00 44.72 44.37 2hg6 s GLY 65 CO 0.17 2.00 1.79 0.07 0.00 0.00 0.00 173.10 177.13 2hg6 h ARG 66 N 9.18 0.00 0.00 2.90 0.11 -1.87 -2.54 114.38 122.17 2hg6 h ARG 66 Ca -0.25 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.81 2hg6 h ARG 66 Cb 1.08 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.15 2hg6 h ARG 66 CO 1.05 0.36 -0.08 1.05 0.10 0.00 0.00 179.97 182.45 2hg6 h GLU 67 N 0.00 0.00 -0.32 0.08 9.09 -1.96 -2.19 114.58 119.28 2hg6 h GLU 67 Ca -0.00 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.25 2hg6 h GLU 67 Cb 0.79 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.88 2hg6 h GLU 67 CO 0.05 0.08 -0.43 1.96 0.05 0.00 0.00 179.01 180.72 2hg6 h GLN 68 N 0.00 0.86 0.00 1.06 1.08 -1.82 -2.83 115.11 113.46 2hg6 h GLN 68 Ca -0.00 -0.49 -0.04 0.00 -1.45 0.00 0.00 58.65 56.67 2hg6 h GLN 68 Cb 0.26 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 2hg6 h GLN 68 CO 0.01 1.13 -0.19 -0.07 -0.95 0.00 0.00 178.83 178.76 2hg6 h LEU 69 N 0.64 0.00 -0.76 1.46 3.38 -1.46 -1.13 115.31 117.45 2hg6 h LEU 69 Ca 0.04 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 2hg6 h LEU 69 Cb 1.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 2hg6 h LEU 69 CO 0.10 0.19 -0.42 1.56 0.09 0.00 0.00 178.44 179.96 2hg6 h GLN 70 N 0.00 0.00 -0.09 1.13 4.20 -1.39 0.37 115.11 119.33 2hg6 h GLN 70 Ca -0.00 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.51 2hg6 h GLN 70 Cb 0.36 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.14 2hg6 h GLN 70 CO 0.02 0.42 -0.78 0.82 -0.67 0.00 0.00 178.83 178.64 2hg6 h ILE 71 N 0.00 1.35 0.00 2.54 2.04 -1.05 -3.08 117.51 119.30 2hg6 h ILE 71 Ca -0.00 -2.13 -0.09 0.00 1.00 0.00 0.00 64.86 63.63 2hg6 h ILE 71 Cb 1.00 2.12 -0.01 0.00 -0.74 0.00 0.00 36.82 39.19 2hg6 h ILE 71 CO 0.05 0.65 -0.44 -0.07 0.00 0.00 0.00 178.15 178.34 2hg6 h LEU 72 N 0.35 0.00 -2.07 1.44 3.38 -1.02 -3.25 115.31 114.15 2hg6 h LEU 72 Ca -0.05 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.02 2hg6 h LEU 72 Cb 1.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 2hg6 h LEU 72 CO 0.14 0.44 0.35 0.25 0.09 0.00 0.00 178.44 179.72 2hg6 h LEU 73 N 0.00 0.00 -1.88 1.67 5.85 -0.18 0.18 115.31 120.96 2hg6 h LEU 73 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2hg6 h LEU 73 Cb 1.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.14 2hg6 h LEU 73 CO 0.06 0.00 0.00 -0.33 -0.34 0.00 0.00 178.44 177.83 2hg6 h GLU 74 N 0.00 0.00 -4.58 1.25 4.39 -1.69 -3.38 114.58 110.57 2hg6 h GLU 74 Ca 0.16 0.00 -0.71 0.00 0.34 0.00 0.00 59.36 59.15 2hg6 h GLU 74 Cb 0.86 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 29.31 2hg6 h GLU 74 CO -0.00 0.00 -0.43 -0.65 -1.16 0.00 0.00 179.01 176.77 2hg6 s GLN 75 N -3.78 3.12 0.00 2.33 1.11 0.64 -4.93 119.66 118.15 2hg6 s GLN 75 Ca -0.01 -0.90 0.25 0.00 0.01 0.00 0.00 55.36 54.71 2hg6 s GLN 75 Cb 0.10 -3.93 1.24 0.00 -1.01 0.00 0.00 33.01 29.41 2hg6 s GLN 75 CO 0.45 -0.67 1.83 0.09 0.01 0.00 0.00 175.29 177.00 2hg6 n ASN 76 N 5.17 0.71 -4.14 5.90 5.03 -1.26 -4.40 115.26 122.28 2hg6 n ASN 76 Ca -0.11 -1.38 -0.43 0.00 0.87 0.00 0.00 54.58 53.52 2hg6 n ASN 76 Cb 0.48 -0.02 0.00 0.00 -1.02 0.00 0.00 39.78 39.22 2hg6 n ASN 76 CO 0.00 0.00 0.00 2.30 -1.83 0.00 0.00 177.26 177.73 2hg6 n ILE 77 N -0.38 4.36 0.18 2.41 -6.64 -1.26 -4.82 119.36 113.21 2hg6 n ILE 77 Ca 0.18 -4.63 0.04 0.00 -1.77 0.00 0.00 62.75 56.58 2hg6 n ILE 77 Cb 0.20 -2.40 0.47 0.00 -1.44 0.00 0.00 39.64 36.47 2hg6 n ILE 77 CO 0.00 0.00 0.00 0.78 -1.77 0.00 0.00 176.55 175.56 2hg6 h ASN 78 N 6.33 0.08 0.54 7.28 4.21 -1.94 0.36 115.58 132.44 2hg6 h ASN 78 Ca 0.35 -0.01 -0.29 0.00 1.21 0.00 0.00 56.30 57.55 2hg6 h ASN 78 Cb 0.74 -0.02 0.01 0.00 -1.12 0.00 0.00 38.32 37.92 2hg6 h ASN 78 CO 1.44 0.25 -1.33 -0.08 -1.29 0.00 0.00 177.43 176.41 2hg6 h GLU 79 N 0.09 0.32 -0.34 0.81 4.81 -1.87 0.72 114.58 119.11 2hg6 h GLU 79 Ca 0.02 -0.54 -0.13 0.00 -0.13 0.00 0.00 59.36 58.58 2hg6 h GLU 79 Cb 0.33 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 2hg6 h GLU 79 CO 0.02 1.25 -0.29 -0.09 -0.73 0.00 0.00 179.01 179.17 2hg6 h ARG 80 N 0.09 0.79 0.00 1.92 2.43 -1.83 -2.64 114.38 115.14 2hg6 h ARG 80 Ca -0.17 -0.40 0.00 0.00 -0.81 0.00 0.00 59.98 58.60 2hg6 h ARG 80 Cb 2.02 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.57 2hg6 h ARG 80 CO 0.21 1.03 0.00 1.25 -1.51 0.00 0.00 179.97 180.95 2hg6 h LEU 81 N 0.57 0.00 1.39 3.80 5.85 -0.35 -3.47 115.31 123.10 2hg6 h LEU 81 Ca 0.06 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.54 2hg6 h LEU 81 Cb 0.86 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 2hg6 h LEU 81 CO 0.07 0.00 -0.29 0.59 -0.34 0.00 0.00 178.44 178.48 2hg6 n ASN 82 N -3.06 -4.02 -4.69 1.25 3.02 0.16 -4.69 115.26 103.23 2hg6 n ASN 82 Ca 0.01 0.08 -0.42 0.00 -0.03 0.00 0.00 54.58 54.22 2hg6 n ASN 82 Cb 0.36 -3.04 -0.03 0.00 -0.61 0.00 0.00 39.78 36.45 2hg6 n ASN 82 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2hg6 s ILE 83 N -2.56 4.49 0.94 2.41 1.09 -0.68 -4.40 121.20 122.49 2hg6 s ILE 83 Ca 0.00 1.79 -0.11 0.00 -1.10 0.00 0.00 60.65 61.22 2hg6 s ILE 83 Cb 0.00 -4.15 0.16 0.00 -1.06 0.00 0.00 42.46 37.41 2hg6 s ILE 83 CO 0.00 0.01 1.09 -0.83 -0.10 0.00 0.00 174.94 175.10 2hg6 s GLY 84 N 1.30 1.62 0.06 6.18 0.00 -1.26 -4.79 107.32 110.41 2hg6 s GLY 84 Ca 0.53 0.04 -0.25 0.00 0.00 0.00 0.00 44.72 45.03 2hg6 s GLY 84 CO 0.20 0.55 1.57 -2.09 0.00 0.00 0.00 173.10 173.33 2hg6 h GLU 85 N -1.77 -0.21 -0.04 2.90 4.57 -1.96 -2.24 114.58 115.83 2hg6 h GLU 85 Ca -0.50 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 57.70 2hg6 h GLU 85 Cb 1.29 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.92 2hg6 h GLU 85 CO 0.52 -0.03 0.06 -1.00 -1.18 0.00 0.00 179.01 177.37 2hg6 h PRO 86 N -0.35 0.00 -0.25 0.92 0.13 -1.92 0.23 132.00 130.76 2hg6 h PRO 86 Ca -0.02 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.97 2hg6 h PRO 86 Cb 0.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.40 2hg6 h PRO 86 CO 0.04 0.00 -0.42 -0.07 -0.23 0.00 0.00 178.00 177.31 2hg6 h LEU 87 N 0.00 0.66 -0.63 1.56 -0.00 -1.72 0.51 115.31 115.70 2hg6 h LEU 87 Ca 0.02 -0.30 -0.12 0.00 -0.00 0.00 0.00 57.88 57.48 2hg6 h LEU 87 Cb 0.14 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 40.60 2hg6 h LEU 87 CO -0.00 1.00 -0.20 -0.07 -0.00 0.00 0.00 178.44 179.16 2hg6 h LEU 88 N 0.50 0.88 -0.64 1.67 3.38 -0.43 -0.63 115.31 120.03 2hg6 h LEU 88 Ca 0.04 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 2hg6 h LEU 88 Cb 0.94 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 2hg6 h LEU 88 CO 0.08 1.06 0.22 0.58 0.09 0.00 0.00 178.44 180.47 2hg6 h VAL 89 N 0.75 1.24 -0.43 1.22 2.07 -1.07 0.89 116.25 120.92 2hg6 h VAL 89 Ca 0.10 -0.81 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 2hg6 h VAL 89 Cb 0.74 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2hg6 h VAL 89 CO 0.06 0.31 0.12 0.22 0.02 0.00 0.00 177.57 178.30 2hg6 h TYR 90 N 0.92 0.64 -0.13 1.57 3.20 -0.62 -0.89 116.97 121.66 2hg6 h TYR 90 Ca 0.21 -0.04 -0.20 0.00 3.14 0.00 0.00 58.73 61.84 2hg6 h TYR 90 Cb 0.26 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.34 2hg6 h TYR 90 CO 0.02 0.55 -0.72 1.25 -1.64 0.00 0.00 178.16 177.62 2hg6 h LEU 91 N 0.62 0.70 0.55 2.82 5.85 -0.58 -3.00 115.31 122.27 2hg6 h LEU 91 Ca 0.14 -0.44 -0.03 0.00 0.84 0.00 0.00 57.88 58.40 2hg6 h LEU 91 Cb 0.22 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 41.05 2hg6 h LEU 91 CO -0.01 1.20 -0.26 0.03 -0.34 0.00 0.00 178.44 179.06 2hg6 h ARG 92 N 0.41 -0.71 -2.03 1.25 -0.00 -0.28 -3.44 114.38 109.58 2hg6 h ARG 92 Ca -0.03 0.05 -0.33 0.00 -0.50 0.00 0.00 59.98 59.17 2hg6 h ARG 92 Cb 1.31 0.16 -0.32 0.00 0.00 0.00 0.00 29.97 31.12 2hg6 h ARG 92 CO 0.14 -0.47 -0.64 0.50 0.00 0.00 0.00 179.97 179.49 2hg6 s ARG 93 N -4.37 0.44 0.03 0.04 3.52 -0.39 -5.10 118.95 113.12 2hg6 s ARG 93 Ca -0.11 -0.35 -0.27 0.00 -0.13 0.00 0.00 55.73 54.88 2hg6 s ARG 93 Cb 0.01 -0.64 -0.05 0.00 -1.56 0.00 0.00 34.95 32.71 2hg6 s ARG 93 CO 0.32 -1.09 0.83 1.14 -0.81 0.00 0.00 175.30 175.70 2hg6 s GLN 94 N 2.08 4.54 -0.09 5.12 0.00 -1.13 -4.46 119.66 125.71 2hg6 s GLN 94 Ca 0.12 1.17 -0.13 0.00 -0.00 0.00 0.00 55.36 56.52 2hg6 s GLN 94 Cb -0.14 -3.40 -0.28 0.00 0.00 0.00 0.00 33.01 29.19 2hg6 s GLN 94 CO -0.23 0.17 0.57 0.22 0.00 0.00 0.00 175.29 176.02 2hg6 h ASP 95 N 6.03 0.47 -3.50 12.60 3.58 -1.94 -3.44 116.42 130.22 2hg6 h ASP 95 Ca -0.43 -0.89 -0.60 0.00 0.42 0.00 0.00 57.03 55.53 2hg6 h ASP 95 Cb 1.21 -0.15 -0.11 0.00 1.72 0.00 0.00 39.33 41.99 2hg6 h ASP 95 CO 0.73 1.71 -0.04 -0.76 -2.88 0.00 0.00 179.24 177.99 2hg6 s LEU 96 N -7.41 4.12 0.24 2.28 1.02 -1.26 -4.96 118.68 112.72 2hg6 s LEU 96 Ca -0.19 0.62 -0.03 0.00 0.02 0.00 0.00 54.13 54.55 2hg6 s LEU 96 Cb 0.05 -2.68 0.28 0.00 0.02 0.00 0.00 46.19 43.86 2hg6 s LEU 96 CO 0.80 -0.21 1.73 -0.65 0.02 0.00 0.00 176.35 178.04 2hg6 h PRO 97 N 7.62 0.83 -3.02 1.29 0.11 -1.98 -3.40 132.00 133.45 2hg6 h PRO 97 Ca -0.32 -0.24 -0.53 0.00 0.11 0.00 0.00 66.00 65.02 2hg6 h PRO 97 Cb 1.15 -0.09 -0.40 0.00 0.11 0.00 0.00 31.00 31.77 2hg6 h PRO 97 CO 0.73 0.85 -0.77 -1.21 -0.21 0.00 0.00 178.00 177.39 2hg6 s GLU 98 N -4.94 0.30 -0.54 1.05 2.02 -1.26 -4.74 118.70 110.59 2hg6 s GLU 98 Ca -0.10 -0.56 -0.28 0.00 0.02 0.00 0.00 54.97 54.05 2hg6 s GLU 98 Cb 0.14 -1.47 0.01 0.00 0.10 0.00 0.00 34.13 32.91 2hg6 s GLU 98 CO 0.82 -0.94 1.50 0.42 0.02 0.00 0.00 175.26 177.08 2hg6 s ILE 99 N 2.00 3.71 -0.21 -1.63 1.01 -1.26 -4.87 121.20 119.95 2hg6 s ILE 99 Ca 0.08 0.61 -0.03 0.00 0.00 0.00 0.00 60.65 61.31 2hg6 s ILE 99 Cb -0.16 -4.29 -0.01 0.00 0.01 0.00 0.00 42.46 38.01 2hg6 s ILE 99 CO -0.29 -1.04 -0.06 -0.89 0.00 0.00 0.00 174.94 172.66 2hg6 s THR 100 N 6.45 3.26 -0.02 2.92 2.01 -1.26 0.22 115.64 129.22 2hg6 s THR 100 Ca 0.57 -0.53 0.08 0.00 0.31 0.00 0.00 61.69 62.12 2hg6 s THR 100 Cb -0.12 -2.47 -0.02 0.00 0.01 0.00 0.00 72.50 69.89 2hg6 s THR 100 CO 0.26 0.44 -0.25 0.00 -0.69 0.00 0.00 174.62 174.37 2hg6 s ALA 101 N 1.43 2.08 -0.01 7.40 0.00 0.30 -4.95 121.76 128.01 2hg6 s ALA 101 Ca 0.05 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 50.95 2hg6 s ALA 101 Cb -0.14 -0.55 0.01 0.00 0.00 0.00 0.00 23.12 22.44 2hg6 s ALA 101 CO -0.04 0.50 -0.03 1.14 0.00 0.00 0.00 175.76 177.33 2hg6 s GLN 102 N -0.53 0.35 -1.01 0.00 -2.07 -1.26 -0.63 119.66 114.51 2hg6 s GLN 102 Ca 0.08 -0.08 -0.21 0.00 -1.82 0.00 0.00 55.36 53.33 2hg6 s GLN 102 Cb -0.10 -0.39 0.08 0.00 -1.09 0.00 0.00 33.01 31.51 2hg6 s GLN 102 CO -0.00 0.02 1.36 1.03 -1.32 0.00 0.00 175.29 176.38 2hg6 s ARG 103 N 0.27 3.62 0.45 9.60 1.81 -0.93 -4.97 118.95 128.80 2hg6 s ARG 103 Ca -0.03 -1.38 0.08 0.00 -1.72 0.00 0.00 55.73 52.68 2hg6 s ARG 103 Cb -0.06 -5.23 0.02 0.00 -0.45 0.00 0.00 34.95 29.23 2hg6 s ARG 103 CO -0.01 -2.07 0.56 1.14 -0.68 0.00 0.00 175.30 174.24 2hg6 s GLN 104 N 4.18 2.64 -0.10 3.54 1.03 -1.26 -4.96 119.66 124.73 2hg6 s GLN 104 Ca 0.42 -1.42 0.15 0.00 0.04 0.00 0.00 55.36 54.55 2hg6 s GLN 104 Cb -0.01 -2.62 0.23 0.00 0.03 0.00 0.00 33.01 30.64 2hg6 s GLN 104 CO -0.09 -0.37 1.11 1.47 -2.54 0.00 0.00 175.29 174.87 2hg6 n LEU 105 N -1.84 2.04 -0.70 2.60 -0.00 -1.26 -5.28 117.00 112.55 2hg6 n LEU 105 Ca 0.08 -2.72 0.09 0.00 -0.00 0.00 0.00 56.01 53.46 2hg6 n LEU 105 Cb 0.60 -0.34 0.07 0.00 -0.00 0.00 0.00 43.42 43.76 2hg6 n LEU 105 CO 0.40 0.63 0.53 0.54 -0.00 0.00 0.00 177.39 179.49