#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 5.35 0.38 7.83 0.01 -1.26 -5.03 113.70 120.98 2hg6 s SER 2 Ca 0.00 0.04 -0.25 0.00 1.31 0.00 0.00 55.95 57.05 2hg6 s SER 2 Cb 0.00 -1.45 -0.09 0.00 0.21 0.00 0.00 66.02 64.69 2hg6 s SER 2 CO 0.00 0.26 1.05 -0.63 0.41 0.00 0.00 173.24 174.33 2hg6 s ILE 3 N -1.17 3.73 0.73 1.44 -1.09 -1.26 -4.98 121.20 118.59 2hg6 s ILE 3 Ca 0.22 1.38 0.00 0.00 -2.23 0.00 0.00 60.65 60.02 2hg6 s ILE 3 Cb -0.12 -3.74 0.14 0.00 -1.58 0.00 0.00 42.46 37.16 2hg6 s ILE 3 CO 0.13 0.06 1.00 0.42 -1.23 0.00 0.00 174.94 175.33 2hg6 s THR 4 N -1.59 2.07 0.00 2.92 -4.23 -1.26 -5.09 115.64 108.45 2hg6 s THR 4 Ca 0.56 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 60.44 2hg6 s THR 4 Cb -0.23 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.17 2hg6 s THR 4 CO 0.29 0.00 0.00 -0.24 -0.54 0.00 0.00 174.62 174.13 2hg6 n SER 5 N -2.84 0.00 0.27 3.99 2.88 -1.26 -4.88 113.62 111.79 2hg6 n SER 5 Ca 0.16 -0.96 0.14 0.00 -1.33 0.00 0.00 58.87 56.88 2hg6 n SER 5 Cb 0.61 0.00 0.67 0.00 -0.75 0.00 0.00 64.21 64.74 2hg6 n SER 5 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2hg6 h THR 6 N -0.61 0.07 -0.63 2.46 2.02 -2.03 -0.70 112.91 113.49 2hg6 h THR 6 Ca 0.00 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.36 2hg6 h THR 6 Cb 0.00 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 2hg6 h THR 6 CO 0.00 0.00 0.56 0.44 0.37 0.00 0.00 175.52 176.89 2hg6 h ASP 7 N 0.00 0.00 -0.78 4.18 5.19 -2.00 0.80 116.42 123.81 2hg6 h ASP 7 Ca 0.05 0.00 0.09 0.00 -0.62 0.00 0.00 57.03 56.55 2hg6 h ASP 7 Cb 1.03 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.49 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 0.97 -0.02 0.35 2.10 -1.46 0.67 117.51 120.11 2hg6 h ILE 8 Ca 0.30 -0.25 -0.17 0.00 1.08 0.00 0.00 64.86 65.82 2hg6 h ILE 8 Cb 1.41 0.17 -0.01 0.00 -1.09 0.00 0.00 36.82 37.29 2hg6 h ILE 8 CO -0.00 0.13 -0.75 0.00 -1.08 0.00 0.00 178.15 176.45 2hg6 h GLN 10 N 0.11 0.73 -0.02 0.00 1.08 -1.12 -3.13 115.11 112.76 2hg6 h GLN 10 Ca -0.02 -0.65 -0.05 0.00 -1.45 0.00 0.00 58.65 56.48 2hg6 h GLN 10 Cb 1.33 0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 28.90 2hg6 h GLN 10 CO 0.11 1.25 -0.22 0.00 -0.95 0.00 0.00 178.83 179.02 2hg6 h ALA 11 N 0.55 1.59 -0.15 3.87 0.00 -0.96 -1.39 119.26 122.78 2hg6 h ALA 11 Ca -0.07 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 2hg6 h ALA 11 Cb 1.49 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 2hg6 h ALA 11 CO 0.17 0.30 -0.29 0.00 0.00 0.00 0.00 179.25 179.44 2hg6 h ALA 12 N 1.74 1.25 0.00 0.00 0.00 -1.48 -2.24 119.26 118.53 2hg6 h ALA 12 Ca 0.00 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 2hg6 h ALA 12 Cb 0.41 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2hg6 h ALA 12 CO 0.03 0.50 -0.42 0.22 0.00 0.00 0.00 179.25 179.58 2hg6 h ASP 13 N 0.25 0.00 -0.26 0.00 1.82 -1.25 -3.22 116.42 113.75 2hg6 h ASP 13 Ca 0.04 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.68 2hg6 h ASP 13 Cb 0.64 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.65 2hg6 h ASP 13 CO 0.05 0.42 0.00 0.00 -1.61 0.00 0.00 179.24 178.10 2hg6 n ALA 14 N -2.25 2.69 -1.79 -0.78 0.00 -0.72 -4.71 120.51 112.95 2hg6 n ALA 14 Ca 0.01 -0.60 -0.33 0.00 0.00 0.00 0.00 53.44 52.51 2hg6 n ALA 14 Cb 0.62 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 19.02 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 -1.03 3.80 0.07 0.00 1.43 -1.20 -4.98 118.68 116.77 2hg6 s LEU 15 Ca 0.20 1.83 0.08 0.00 -1.03 0.00 0.00 54.13 55.21 2hg6 s LEU 15 Cb 0.12 -4.55 -0.03 0.00 0.03 0.00 0.00 46.19 41.77 2hg6 s LEU 15 CO 0.10 -0.73 -0.21 -1.59 0.23 0.00 0.00 176.35 174.16 2hg6 s LYS 16 N -3.41 1.24 0.00 1.70 -2.85 -1.12 -4.05 119.74 111.25 2hg6 s LYS 16 Ca 0.65 -1.05 0.00 0.00 -1.00 0.00 0.00 55.97 54.57 2hg6 s LYS 16 Cb -0.14 -1.43 0.00 0.00 -2.06 0.00 0.00 37.83 34.20 2hg6 s LYS 16 CO 0.22 0.35 0.00 0.41 0.10 0.00 0.00 175.35 176.43 2hg6 n GLY 17 N 1.46 3.77 3.31 0.59 0.00 -1.26 -4.57 105.19 108.49 2hg6 n GLY 17 Ca -0.18 -1.55 -0.35 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.67 3.00 -0.12 1.61 0.08 0.09 -0.21 117.98 120.75 2hg6 s PHE 18 Ca 0.00 -0.98 -0.16 0.00 0.12 0.00 0.00 56.93 55.91 2hg6 s PHE 18 Cb 0.00 -2.12 -0.05 0.00 -0.57 0.00 0.00 43.02 40.28 2hg6 s PHE 18 CO 0.00 -0.56 0.40 0.08 -0.10 0.00 0.00 175.22 175.04 2hg6 s VAL 19 N 1.47 5.22 0.08 -0.44 1.01 0.69 0.34 120.40 128.77 2hg6 s VAL 19 Ca 0.05 0.78 0.00 0.00 0.00 0.00 0.00 61.98 62.81 2hg6 s VAL 19 Cb -0.15 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 2hg6 s VAL 19 CO -0.03 0.38 -0.05 -0.83 0.00 0.00 0.00 175.10 174.58 2hg6 s GLY 20 N 0.38 0.63 -0.06 4.51 0.00 0.14 -0.42 107.32 112.49 2hg6 s GLY 20 Ca 0.22 -1.29 -0.17 0.00 0.00 0.00 0.00 44.72 43.48 2hg6 s GLY 20 CO 0.08 -1.39 0.47 -0.12 0.00 0.00 0.00 173.10 172.14 2hg6 s PHE 21 N -3.77 3.62 -0.35 1.90 5.36 -1.20 -0.51 117.98 123.03 2hg6 s PHE 21 Ca 0.10 0.98 -0.09 0.00 -0.96 0.00 0.00 56.93 56.96 2hg6 s PHE 21 Cb 0.07 -2.47 0.03 0.00 -0.34 0.00 0.00 43.02 40.30 2hg6 s PHE 21 CO -0.07 0.36 0.15 1.21 -1.46 0.00 0.00 175.22 175.41 2hg6 s ASN 22 N -0.09 5.51 0.00 6.13 3.84 -0.08 -4.86 114.94 125.39 2hg6 s ASN 22 Ca 0.26 -0.96 0.24 0.00 0.21 0.00 0.00 52.86 52.61 2hg6 s ASN 22 Cb -0.16 -1.96 1.07 0.00 -0.55 0.00 0.00 41.25 39.65 2hg6 s ASN 22 CO 0.12 -0.32 1.78 -2.11 -2.79 0.00 0.00 177.10 173.78 2hg6 n ARG 23 N 4.92 0.09 0.03 0.43 1.85 -1.26 -0.36 116.66 122.35 2hg6 n ARG 23 Ca -0.13 0.08 -0.20 0.00 -1.00 0.00 0.00 57.85 56.61 2hg6 n ARG 23 Cb 0.46 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 30.23 2hg6 n ARG 23 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 2hg6 h LYS 24 N 0.00 0.26 0.00 2.89 3.64 -1.95 -3.35 116.57 118.06 2hg6 h LYS 24 Ca 0.00 -0.44 -0.02 0.00 -1.27 0.00 0.00 60.65 58.91 2hg6 h LYS 24 Cb 0.37 0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2hg6 h LYS 24 CO 0.00 1.21 -1.26 0.25 -2.27 0.00 0.00 179.45 177.38 2hg6 n THR 25 N -4.15 0.56 -2.34 1.00 -2.24 -1.19 -4.98 114.28 100.95 2hg6 n THR 25 Ca -0.15 -0.56 -0.04 0.00 -2.27 0.00 0.00 64.05 61.03 2hg6 n THR 25 Cb 0.80 -0.31 0.01 0.00 -2.10 0.00 0.00 70.33 68.72 2hg6 n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hg6 n GLY 26 N 1.23 0.41 3.26 3.38 0.00 0.51 -5.05 105.19 108.93 2hg6 n GLY 26 Ca -0.02 -0.63 -0.14 0.00 0.00 0.00 0.00 46.02 45.22 2hg6 n GLY 26 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2hg6 s ARG 27 N -4.64 1.32 -0.32 1.61 1.70 -1.09 -4.99 118.95 112.54 2hg6 s ARG 27 Ca 0.05 -1.71 -0.09 0.00 -0.47 0.00 0.00 55.73 53.51 2hg6 s ARG 27 Cb -0.02 -0.00 0.01 0.00 -0.57 0.00 0.00 34.95 34.36 2hg6 s ARG 27 CO 0.06 -0.35 0.15 -0.47 -1.08 0.00 0.00 175.30 173.61 2hg6 s TYR 28 N -3.94 3.19 0.23 5.89 5.04 -1.26 -0.90 117.35 125.60 2hg6 s TYR 28 Ca 0.38 -0.78 0.10 0.00 -2.44 0.00 0.00 57.07 54.33 2hg6 s TYR 28 Cb 0.07 -2.35 -0.05 0.00 0.35 0.00 0.00 41.96 39.99 2hg6 s TYR 28 CO 0.13 -0.54 -0.18 0.96 -1.34 0.00 0.00 175.55 174.58 2hg6 s ILE 29 N 1.57 2.15 -0.22 3.14 -5.25 0.34 -4.94 121.20 117.99 2hg6 s ILE 29 Ca 0.03 -2.25 -0.13 0.00 -0.99 0.00 0.00 60.65 57.32 2hg6 s ILE 29 Cb -0.18 -2.15 -0.05 0.00 2.95 0.00 0.00 42.46 43.04 2hg6 s ILE 29 CO 0.05 -0.42 0.26 -0.69 -1.79 0.00 0.00 174.94 172.35 2hg6 s VAL 30 N -2.51 5.29 -0.03 8.37 1.01 -1.26 0.26 120.40 131.52 2hg6 s VAL 30 Ca 0.25 0.40 0.04 0.00 0.00 0.00 0.00 61.98 62.67 2hg6 s VAL 30 Cb -0.04 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 2hg6 s VAL 30 CO 0.11 0.31 -0.13 -0.13 0.00 0.00 0.00 175.10 175.26 2hg6 s ARG 31 N 1.15 2.48 -0.04 2.72 1.81 0.15 -4.95 118.95 122.27 2hg6 s ARG 31 Ca 0.12 -0.72 0.17 0.00 -1.72 0.00 0.00 55.73 53.59 2hg6 s ARG 31 Cb -0.14 -2.39 0.54 0.00 -0.45 0.00 0.00 34.95 32.51 2hg6 s ARG 31 CO 0.06 0.62 1.45 1.19 -0.68 0.00 0.00 175.30 177.94 2hg6 n PHE 32 N 2.12 0.92 -3.68 -0.53 3.01 -1.26 -0.73 117.46 117.31 2hg6 n PHE 32 Ca -0.17 -0.56 -0.28 0.00 1.01 0.00 0.00 57.45 57.45 2hg6 n PHE 32 Cb 0.52 -0.10 -0.16 0.00 -0.01 0.00 0.00 39.48 39.74 2hg6 n PHE 32 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2hg6 s SER 33 N -1.06 3.13 0.48 4.37 0.01 -1.26 -4.96 113.70 114.41 2hg6 s SER 33 Ca 0.40 -1.02 0.14 0.00 1.31 0.00 0.00 55.95 56.78 2hg6 s SER 33 Cb 0.23 -0.54 1.13 0.00 0.21 0.00 0.00 66.02 67.06 2hg6 s SER 33 CO 0.23 -0.36 2.09 -0.33 0.41 0.00 0.00 173.24 175.28 2hg6 h GLU 34 N 8.28 0.07 -0.54 12.44 5.08 -1.95 -2.61 114.58 135.34 2hg6 h GLU 34 Ca -0.16 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2hg6 h GLU 34 Cb 1.09 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2hg6 h GLU 34 CO 0.37 0.10 0.00 -0.25 -1.00 0.00 0.00 179.01 178.24 2hg6 n ASP 35 N -4.46 0.54 -0.31 1.42 8.00 -1.26 -2.77 116.55 117.72 2hg6 n ASP 35 Ca -0.02 -1.95 0.11 0.00 0.71 0.00 0.00 54.79 53.64 2hg6 n ASP 35 Cb 0.14 -0.27 0.08 0.00 -0.02 0.00 0.00 41.12 41.05 2hg6 n ASP 35 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2hg6 n SER 36 N -0.21 1.49 -3.66 -2.24 3.41 -0.99 -4.79 113.62 106.63 2hg6 n SER 36 Ca 0.00 -1.18 -0.20 0.00 -0.26 0.00 0.00 58.87 57.24 2hg6 n SER 36 Cb 0.14 0.48 -0.17 0.00 -0.26 0.00 0.00 64.21 64.39 2hg6 n SER 36 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2hg6 s PHE 37 N -2.62 0.00 0.00 7.33 0.08 -1.11 -5.07 117.98 116.59 2hg6 s PHE 37 Ca 0.17 0.29 0.00 0.00 0.12 0.00 0.00 56.93 57.52 2hg6 s PHE 37 Cb 0.18 -0.44 0.00 0.00 -0.57 0.00 0.00 43.02 42.19 2hg6 s PHE 37 CO 0.63 -0.25 0.00 0.41 -0.10 0.00 0.00 175.22 175.91 2hg6 n GLY 38 N 5.30 -0.21 1.01 4.36 0.00 -1.26 -4.85 105.19 109.54 2hg6 n GLY 38 Ca -0.04 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.06 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 2.93 -0.07 1.61 -0.00 -1.26 -4.38 117.12 115.94 2hg6 n MET 39 Ca 0.00 -2.41 0.03 0.00 -0.00 0.00 0.00 57.70 55.33 2hg6 n MET 39 Cb 0.00 -1.48 0.10 0.00 -0.00 0.00 0.00 33.22 31.85 2hg6 n MET 39 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2hg6 n ASP 40 N 0.91 0.79 -3.51 3.17 8.00 -1.26 -4.80 116.55 119.85 2hg6 n ASP 40 Ca 0.18 -1.96 -0.14 0.00 0.71 0.00 0.00 54.79 53.58 2hg6 n ASP 40 Cb 0.57 -0.10 -0.05 0.00 -0.02 0.00 0.00 41.12 41.53 2hg6 n ASP 40 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2hg6 s VAL 41 N -1.81 0.00 0.33 2.53 0.11 -1.26 -4.74 120.40 115.56 2hg6 s VAL 41 Ca 0.12 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.88 2hg6 s VAL 41 Cb 0.06 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.81 2hg6 s VAL 41 CO 0.08 0.00 1.27 0.00 -3.33 0.00 0.00 175.10 173.12 2hg6 s ALA 42 N -1.84 3.47 0.44 1.54 0.00 -1.26 -4.92 121.76 119.19 2hg6 s ALA 42 Ca -0.05 1.19 0.10 0.00 0.00 0.00 0.00 51.96 53.20 2hg6 s ALA 42 Cb -0.00 -3.45 0.96 0.00 0.00 0.00 0.00 23.12 20.63 2hg6 s ALA 42 CO 0.02 -0.56 2.05 -0.44 0.00 0.00 0.00 175.76 176.83 2hg6 h ASP 43 N 3.42 0.27 0.68 0.00 3.32 -1.94 0.86 116.42 123.04 2hg6 h ASP 43 Ca -0.49 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.55 2hg6 h ASP 43 Cb 1.22 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.71 2hg6 h ASP 43 CO 0.66 0.25 0.00 0.44 -1.72 0.00 0.00 179.24 178.87 2hg6 h ASP 44 N 0.31 0.00 0.02 6.45 5.19 -2.01 -1.92 116.42 124.46 2hg6 h ASP 44 Ca 0.08 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 2hg6 h ASP 44 Cb 0.06 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.57 2hg6 h ASP 44 CO -0.01 0.00 -0.08 -1.20 -3.12 0.00 0.00 179.24 174.83 2hg6 n SER 45 N -2.42 1.95 -4.27 6.45 7.64 0.29 -4.60 113.62 118.65 2hg6 n SER 45 Ca 0.01 -1.57 -0.41 0.00 1.01 0.00 0.00 58.87 57.91 2hg6 n SER 45 Cb 0.22 0.06 -0.09 0.00 -1.01 0.00 0.00 64.21 63.39 2hg6 n SER 45 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2hg6 s ILE 46 N -2.12 4.45 -0.10 0.44 1.01 -0.72 -3.27 121.20 120.89 2hg6 s ILE 46 Ca 0.31 -1.47 0.01 0.00 0.00 0.00 0.00 60.65 59.50 2hg6 s ILE 46 Cb 0.20 -3.78 0.02 0.00 0.01 0.00 0.00 42.46 38.91 2hg6 s ILE 46 CO 0.37 -0.62 -0.09 -0.89 0.00 0.00 0.00 174.94 173.71 2hg6 s THR 47 N 1.45 1.07 0.24 2.92 2.01 0.44 -4.91 115.64 118.87 2hg6 s THR 47 Ca 0.04 -0.36 -0.31 0.00 0.31 0.00 0.00 61.69 61.36 2hg6 s THR 47 Cb -0.25 -1.05 -0.13 0.00 0.01 0.00 0.00 72.50 71.09 2hg6 s THR 47 CO 0.02 0.36 1.52 -2.65 -0.69 0.00 0.00 174.62 173.18 2hg6 n PRO 48 N 4.53 2.32 0.24 4.92 -0.02 -1.26 -0.22 135.00 145.51 2hg6 n PRO 48 Ca -0.16 0.83 0.17 0.00 -2.02 0.00 0.00 63.50 62.31 2hg6 n PRO 48 Cb 0.51 -2.56 0.82 0.00 -0.02 0.00 0.00 33.50 32.25 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 3.29 0.00 -0.22 3.45 1.03 -0.90 0.12 112.91 119.67 2hg6 h THR 49 Ca -0.45 -0.13 -0.01 0.00 -0.01 0.00 0.00 66.41 65.81 2hg6 h THR 49 Cb 1.25 0.93 -0.01 0.00 -1.07 0.00 0.00 68.15 69.25 2hg6 h THR 49 CO 0.81 0.00 0.11 0.28 -0.01 0.00 0.00 175.52 176.70 2hg6 h SER 50 N 0.00 0.29 0.99 0.00 0.02 -1.80 -3.00 113.55 110.06 2hg6 h SER 50 Ca 0.00 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2hg6 h SER 50 Cb 0.15 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.61 2hg6 h SER 50 CO 0.00 0.34 -0.72 -0.33 -1.14 0.00 0.00 176.83 174.98 2hg6 h GLU 51 N 0.23 0.00 0.00 3.45 3.07 -1.56 -3.34 114.58 116.43 2hg6 h GLU 51 Ca 0.08 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.92 2hg6 h GLU 51 Cb 0.12 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.03 2hg6 h GLU 51 CO -0.01 0.00 -0.10 0.35 -1.40 0.00 0.00 179.01 177.85 2hg6 h PHE 52 N 0.00 0.00 -0.00 4.33 3.57 -0.67 -0.82 116.94 123.34 2hg6 h PHE 52 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2hg6 h PHE 52 Cb 0.86 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.60 2hg6 h PHE 52 CO 0.00 0.10 -0.20 1.33 -2.23 0.00 0.00 178.31 177.30 2hg6 n VAL 53 N -3.85 0.00 -3.91 1.41 0.24 -1.20 -4.77 118.33 106.25 2hg6 n VAL 53 Ca -0.02 -0.07 -0.35 0.00 -2.04 0.00 0.00 64.34 61.85 2hg6 n VAL 53 Cb 0.19 0.10 -0.14 0.00 -1.47 0.00 0.00 33.84 32.52 2hg6 n VAL 53 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 2hg6 s TRP 54 N -2.58 2.96 -0.36 6.34 0.52 -0.31 -1.17 118.94 124.34 2hg6 s TRP 54 Ca 0.24 -1.00 -0.13 0.00 0.02 0.00 0.00 56.10 55.23 2hg6 s TRP 54 Cb 0.19 -2.10 -0.01 0.00 -1.15 0.00 0.00 33.47 30.41 2hg6 s TRP 54 CO 0.52 -0.57 0.26 0.45 0.02 0.00 0.00 176.95 177.63 2hg6 s SER 55 N 1.46 6.08 -0.13 2.95 0.15 0.58 -4.85 113.70 119.94 2hg6 s SER 55 Ca 0.05 -0.53 -0.29 0.00 0.70 0.00 0.00 55.95 55.88 2hg6 s SER 55 Cb -0.14 -2.15 -0.04 0.00 -1.71 0.00 0.00 66.02 61.98 2hg6 s SER 55 CO -0.04 -0.29 1.70 -0.94 1.20 0.00 0.00 173.24 174.87 2hg6 s SER 56 N 1.71 6.44 0.00 5.45 1.04 -1.26 -0.53 113.70 126.55 2hg6 s SER 56 Ca 0.06 1.98 0.12 0.00 0.48 0.00 0.00 55.95 58.59 2hg6 s SER 56 Cb -0.18 -2.53 -0.01 0.00 0.10 0.00 0.00 66.02 63.40 2hg6 s SER 56 CO 0.10 -1.15 0.69 1.33 0.98 0.00 0.00 173.24 175.20 2hg6 n VAL 57 N 6.03 0.00 -1.40 5.02 0.24 -0.90 -4.97 118.33 122.35 2hg6 n VAL 57 Ca 0.19 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 2hg6 n VAL 57 Cb 0.44 1.13 0.00 0.00 -1.47 0.00 0.00 33.84 33.94 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 -0.26 0.00 0.42 7.34 3.00 -1.19 -5.04 116.66 120.94 2hg6 n ARG 58 Ca 0.05 0.00 -0.19 0.00 -0.00 0.00 0.00 57.85 57.70 2hg6 n ARG 58 Cb 0.25 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.61 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 -1.17 0.00 6.15 3.58 -2.02 -3.39 116.42 119.56 2hg6 h ASP 59 Ca 0.00 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2hg6 h ASP 59 Cb 0.00 0.34 0.00 0.00 1.72 0.00 0.00 39.33 41.39 2hg6 h ASP 59 CO 0.00 -0.72 -0.64 -0.67 -2.88 0.00 0.00 179.24 174.33 2hg6 n ASP 60 N -5.60 3.20 -4.68 2.28 2.03 -1.26 -5.04 116.55 107.47 2hg6 n ASP 60 Ca -0.15 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.74 2hg6 n ASP 60 Cb 0.48 0.58 -0.03 0.00 -0.72 0.00 0.00 41.12 41.44 2hg6 n ASP 60 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2hg6 s VAL 61 N -1.35 3.90 0.20 5.18 0.11 -1.26 -4.50 120.40 122.69 2hg6 s VAL 61 Ca 0.00 1.22 0.10 0.00 -2.93 0.00 0.00 61.98 60.37 2hg6 s VAL 61 Cb 0.00 -3.79 -0.04 0.00 -1.53 0.00 0.00 36.38 31.02 2hg6 s VAL 61 CO 0.00 -0.03 -0.16 -0.04 -3.33 0.00 0.00 175.10 171.54 2hg6 s MET 62 N 2.71 1.83 0.09 1.54 -1.94 0.80 -2.11 119.30 122.22 2hg6 s MET 62 Ca 0.62 -1.42 0.10 0.00 -1.71 0.00 0.00 55.69 53.28 2hg6 s MET 62 Cb -0.29 -2.00 -0.03 0.00 2.01 0.00 0.00 34.83 34.52 2hg6 s MET 62 CO 0.24 0.41 -0.26 1.03 -0.01 0.00 0.00 175.02 176.43 2hg6 s ARG 63 N -2.87 1.53 -0.16 2.03 0.52 0.31 -0.06 118.95 120.25 2hg6 s ARG 63 Ca 0.24 -1.23 -0.29 0.00 -0.52 0.00 0.00 55.73 53.93 2hg6 s ARG 63 Cb -0.08 -1.88 -0.00 0.00 0.52 0.00 0.00 34.95 33.51 2hg6 s ARG 63 CO 0.13 0.46 1.00 -1.17 0.02 0.00 0.00 175.30 175.74 2hg6 s LEU 64 N -1.70 4.19 -0.28 2.53 1.98 -0.44 -0.31 118.68 124.65 2hg6 s LEU 64 Ca 0.12 1.43 -0.12 0.00 -2.89 0.00 0.00 54.13 52.68 2hg6 s LEU 64 Cb -0.10 -3.51 -0.05 0.00 0.66 0.00 0.00 46.19 43.19 2hg6 s LEU 64 CO 0.04 -0.52 0.22 -0.83 -1.89 0.00 0.00 176.35 173.37 2hg6 s GLY 65 N 1.14 1.93 0.48 7.98 0.00 -0.31 -4.78 107.32 113.76 2hg6 s GLY 65 Ca 0.46 -1.03 0.32 0.00 0.00 0.00 0.00 44.72 44.46 2hg6 s GLY 65 CO 0.13 0.68 1.95 0.07 0.00 0.00 0.00 173.10 175.94 2hg6 h ARG 66 N 8.27 0.00 0.00 2.90 0.11 -1.96 -2.99 114.38 120.72 2hg6 h ARG 66 Ca -0.35 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.72 2hg6 h ARG 66 Cb 1.18 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.26 2hg6 h ARG 66 CO 0.57 0.00 -0.04 0.93 0.10 0.00 0.00 179.97 181.53 2hg6 h GLU 67 N 0.00 0.00 -0.97 0.08 5.08 -1.97 -2.17 114.58 114.62 2hg6 h GLU 67 Ca 0.00 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 2hg6 h GLU 67 Cb 0.37 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.55 2hg6 h GLU 67 CO 0.00 0.04 0.63 -0.56 -1.00 0.00 0.00 179.01 178.12 2hg6 h GLN 68 N 0.00 1.06 -0.41 2.33 -0.00 -1.87 -1.31 115.11 114.90 2hg6 h GLN 68 Ca -0.00 -0.06 -0.08 0.00 -0.00 0.00 0.00 58.65 58.51 2hg6 h GLN 68 Cb 0.12 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.48 27.34 2hg6 h GLN 68 CO 0.01 0.70 -0.08 -0.07 -0.00 0.00 0.00 178.83 179.39 2hg6 h LEU 69 N 1.09 0.69 -0.64 0.06 4.07 -1.64 -1.21 115.31 117.72 2hg6 h LEU 69 Ca 0.43 -0.18 -0.15 0.00 0.08 0.00 0.00 57.88 58.06 2hg6 h LEU 69 Cb 0.25 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.79 2hg6 h LEU 69 CO -0.18 0.81 -0.66 1.56 -1.08 0.00 0.00 178.44 178.88 2hg6 h GLN 70 N 0.65 0.08 -0.09 1.13 4.20 -1.38 -2.04 115.11 117.67 2hg6 h GLN 70 Ca 0.12 -0.06 -0.18 0.00 0.06 0.00 0.00 58.65 58.59 2hg6 h GLN 70 Cb 0.52 0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.32 2hg6 h GLN 70 CO 0.03 0.71 -0.64 0.82 -0.67 0.00 0.00 178.83 179.08 2hg6 h ILE 71 N 0.06 1.35 0.00 2.54 2.04 -1.00 -3.27 117.51 119.22 2hg6 h ILE 71 Ca -0.01 -1.94 -0.06 0.00 1.00 0.00 0.00 64.86 63.84 2hg6 h ILE 71 Cb 1.18 2.23 -0.01 0.00 -0.74 0.00 0.00 36.82 39.47 2hg6 h ILE 71 CO 0.09 0.59 -0.31 -0.07 0.00 0.00 0.00 178.15 178.46 2hg6 h LEU 72 N 0.21 0.00 -1.66 1.44 3.38 -1.12 -2.69 115.31 114.87 2hg6 h LEU 72 Ca -0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2hg6 h LEU 72 Cb 1.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 2hg6 h LEU 72 CO 0.13 0.31 -0.19 0.17 0.09 0.00 0.00 178.44 178.95 2hg6 h LEU 73 N 0.00 0.00 0.00 1.67 8.10 -1.42 -0.92 115.31 122.74 2hg6 h LEU 73 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 2hg6 h LEU 73 Cb 0.61 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.83 2hg6 h LEU 73 CO 0.04 0.19 -0.08 -0.33 -4.11 0.00 0.00 178.44 174.15 2hg6 h GLU 74 N 0.00 0.00 0.15 0.17 5.08 -1.59 -3.25 114.58 115.14 2hg6 h GLU 74 Ca -0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 2hg6 h GLU 74 Cb 0.45 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.71 2hg6 h GLU 74 CO 0.02 0.00 -1.28 1.96 -1.00 0.00 0.00 179.01 178.72 2hg6 h GLN 75 N 0.00 0.36 -0.04 2.33 1.08 -1.20 -3.47 115.11 114.16 2hg6 h GLN 75 Ca 0.00 -0.59 -0.02 0.00 -1.45 0.00 0.00 58.65 56.60 2hg6 h GLN 75 Cb 0.91 0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 28.54 2hg6 h GLN 75 CO 0.00 1.27 -0.02 0.09 -0.95 0.00 0.00 178.83 179.22 2hg6 n ASN 76 N -3.60 -5.02 -2.26 1.46 3.02 -1.01 -4.84 115.26 103.00 2hg6 n ASN 76 Ca -0.10 0.02 -0.32 0.00 -0.03 0.00 0.00 54.58 54.15 2hg6 n ASN 76 Cb 1.03 -2.59 0.06 0.00 -0.61 0.00 0.00 39.78 37.67 2hg6 n ASN 76 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 2hg6 n ILE 77 N -2.34 3.35 -0.06 2.41 -6.64 -1.26 -4.70 119.36 110.12 2hg6 n ILE 77 Ca -0.01 -3.28 0.14 0.00 -1.77 0.00 0.00 62.75 57.83 2hg6 n ILE 77 Cb 0.35 -1.16 0.54 0.00 -1.44 0.00 0.00 39.64 37.93 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 2.06 0.28 0.32 7.28 4.21 -1.88 0.82 115.58 128.67 2hg6 h ASN 78 Ca 0.55 0.01 -0.12 0.00 1.21 0.00 0.00 56.30 57.95 2hg6 h ASN 78 Cb 0.99 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 38.12 2hg6 h ASN 78 CO 1.38 0.17 -0.48 -0.33 -1.29 0.00 0.00 177.43 176.88 2hg6 h GLU 79 N 0.31 0.19 0.19 0.81 5.08 -1.98 -1.77 114.58 117.41 2hg6 h GLU 79 Ca 0.27 -0.10 -0.34 0.00 -1.00 0.00 0.00 59.36 58.19 2hg6 h GLU 79 Cb 0.64 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.91 2hg6 h GLU 79 CO -0.06 0.63 -1.67 -0.09 -1.00 0.00 0.00 179.01 176.82 2hg6 h ARG 80 N 0.16 0.39 0.00 2.33 2.43 -1.27 -3.29 114.38 115.13 2hg6 h ARG 80 Ca 0.01 -0.67 -0.04 0.00 -0.81 0.00 0.00 59.98 58.46 2hg6 h ARG 80 Cb 0.91 0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 2hg6 h ARG 80 CO 0.07 1.30 -0.20 1.25 -1.51 0.00 0.00 179.97 180.88 2hg6 h LEU 81 N 0.11 0.00 -2.38 3.80 6.46 -1.29 -3.48 115.31 118.53 2hg6 h LEU 81 Ca -0.31 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.45 2hg6 h LEU 81 Cb 2.10 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 42.03 2hg6 h LEU 81 CO 0.19 0.20 -0.17 0.59 -0.62 0.00 0.00 178.44 178.63 2hg6 n ASN 82 N -3.22 -7.53 -4.72 1.25 5.03 -0.67 -2.78 115.26 102.62 2hg6 n ASN 82 Ca 0.02 0.14 -0.42 0.00 0.87 0.00 0.00 54.58 55.20 2hg6 n ASN 82 Cb 0.52 -5.10 -0.03 0.00 -1.02 0.00 0.00 39.78 34.15 2hg6 n ASN 82 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2hg6 s ILE 83 N -2.82 4.37 0.59 2.41 1.09 -1.19 -4.55 121.20 121.10 2hg6 s ILE 83 Ca 0.09 1.82 -0.20 0.00 -1.10 0.00 0.00 60.65 61.25 2hg6 s ILE 83 Cb -0.02 -4.16 -0.03 0.00 -1.06 0.00 0.00 42.46 37.18 2hg6 s ILE 83 CO 0.71 0.21 1.31 -0.83 -0.10 0.00 0.00 174.94 176.23 2hg6 s GLY 84 N 0.58 2.85 0.06 6.18 0.00 -1.26 -4.95 107.32 110.78 2hg6 s GLY 84 Ca 0.52 1.23 -0.23 0.00 0.00 0.00 0.00 44.72 46.24 2hg6 s GLY 84 CO 0.30 1.69 1.59 -2.09 0.00 0.00 0.00 173.10 174.59 2hg6 h GLU 85 N 1.03 0.10 0.00 2.90 4.81 -1.95 -2.20 114.58 119.26 2hg6 h GLU 85 Ca -0.51 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 2hg6 h GLU 85 Cb 1.31 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.68 2hg6 h GLU 85 CO 0.55 0.23 0.15 -1.00 -0.73 0.00 0.00 179.01 178.22 2hg6 h PRO 86 N -0.06 0.00 -0.23 0.92 0.13 -1.93 -0.05 132.00 130.76 2hg6 h PRO 86 Ca 0.02 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.01 2hg6 h PRO 86 Cb 0.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.30 2hg6 h PRO 86 CO -0.00 0.00 -0.45 -0.07 -0.23 0.00 0.00 178.00 177.25 2hg6 h LEU 87 N 0.00 0.64 -0.78 1.56 -0.00 -1.71 0.70 115.31 115.72 2hg6 h LEU 87 Ca 0.00 -0.31 -0.13 0.00 -0.00 0.00 0.00 57.88 57.44 2hg6 h LEU 87 Cb 0.29 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 40.76 2hg6 h LEU 87 CO 0.00 1.00 -0.54 -0.07 -0.00 0.00 0.00 178.44 178.84 2hg6 h LEU 88 N 0.48 0.22 -0.66 1.67 -0.00 -1.00 -2.51 115.31 113.51 2hg6 h LEU 88 Ca 0.03 -0.11 -0.09 0.00 -0.00 0.00 0.00 57.88 57.71 2hg6 h LEU 88 Cb 0.98 -0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 41.55 2hg6 h LEU 88 CO 0.09 0.72 0.04 0.58 -0.00 0.00 0.00 178.44 179.86 2hg6 h VAL 89 N 0.16 1.26 -0.21 1.22 2.07 -1.13 -2.47 116.25 117.16 2hg6 h VAL 89 Ca 0.00 -1.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.41 2hg6 h VAL 89 Cb 1.00 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 2hg6 h VAL 89 CO 0.08 0.41 0.12 0.22 0.02 0.00 0.00 177.57 178.42 2hg6 h TYR 90 N 0.99 0.26 0.00 1.57 3.20 -0.59 0.18 116.97 122.59 2hg6 h TYR 90 Ca 0.18 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 2hg6 h TYR 90 Cb 0.52 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 2hg6 h TYR 90 CO 0.04 0.18 -0.36 1.25 -1.64 0.00 0.00 178.16 177.63 2hg6 h LEU 91 N 0.28 0.00 0.00 2.82 5.85 -1.02 -3.30 115.31 119.94 2hg6 h LEU 91 Ca 0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2hg6 h LEU 91 Cb -0.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.02 2hg6 h LEU 91 CO -0.01 0.36 -0.01 0.03 -0.34 0.00 0.00 178.44 178.47 2hg6 h ARG 92 N 0.00 0.00 -4.47 1.25 2.47 -0.86 -3.50 114.38 109.27 2hg6 h ARG 92 Ca -0.00 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 58.46 2hg6 h ARG 92 Cb 0.72 0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 28.90 2hg6 h ARG 92 CO 0.05 0.00 -0.48 1.03 0.56 0.00 0.00 179.97 181.12 2hg6 s ARG 93 N -1.27 1.42 -0.11 0.04 1.81 -0.13 -5.12 118.95 115.58 2hg6 s ARG 93 Ca -0.00 -1.66 -0.05 0.00 -1.72 0.00 0.00 55.73 52.30 2hg6 s ARG 93 Cb 0.00 0.33 0.05 0.00 -0.45 0.00 0.00 34.95 34.88 2hg6 s ARG 93 CO 0.00 -0.51 0.24 1.14 -0.68 0.00 0.00 175.30 175.49 2hg6 s GLN 94 N -3.90 0.14 0.10 3.54 -2.07 -1.26 -3.62 119.66 112.59 2hg6 s GLN 94 Ca 0.36 0.63 -0.22 0.00 -1.82 0.00 0.00 55.36 54.31 2hg6 s GLN 94 Cb 0.04 -0.10 -0.11 0.00 -1.09 0.00 0.00 33.01 31.75 2hg6 s GLN 94 CO 0.15 -0.25 1.72 0.22 -1.32 0.00 0.00 175.29 175.82 2hg6 h ASP 95 N 7.91 -0.09 -3.27 12.60 1.82 -1.97 -3.38 116.42 130.04 2hg6 h ASP 95 Ca -0.24 0.02 -0.67 0.00 -0.39 0.00 0.00 57.03 55.76 2hg6 h ASP 95 Cb 1.13 0.05 -0.35 0.00 0.68 0.00 0.00 39.33 40.84 2hg6 h ASP 95 CO 0.22 -0.04 -0.84 -0.76 -1.61 0.00 0.00 179.24 176.22 2hg6 s LEU 96 N -10.27 2.49 0.42 2.28 1.43 -1.26 -5.00 118.68 108.77 2hg6 s LEU 96 Ca -0.13 -0.83 0.22 0.00 -1.03 0.00 0.00 54.13 52.36 2hg6 s LEU 96 Cb 0.08 -1.51 0.84 0.00 0.03 0.00 0.00 46.19 45.62 2hg6 s LEU 96 CO 0.67 -0.05 1.80 1.55 0.23 0.00 0.00 176.35 180.55 2hg6 h PRO 97 N 7.91 0.00 -3.38 1.29 0.13 -2.01 -3.36 132.00 132.57 2hg6 h PRO 97 Ca -0.39 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.05 2hg6 h PRO 97 Cb 1.12 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.88 2hg6 h PRO 97 CO 0.59 0.28 -0.28 -1.21 -0.23 0.00 0.00 178.00 177.16 2hg6 s GLU 98 N -3.66 2.85 -0.36 0.86 2.02 -1.26 -5.01 118.70 114.15 2hg6 s GLU 98 Ca 0.00 -2.98 -0.23 0.00 0.02 0.00 0.00 54.97 51.78 2hg6 s GLU 98 Cb 0.11 -3.78 0.01 0.00 0.10 0.00 0.00 34.13 30.57 2hg6 s GLU 98 CO 0.66 -1.23 0.80 0.42 0.02 0.00 0.00 175.26 175.93 2hg6 s ILE 99 N -0.84 4.72 0.09 -1.63 1.01 -1.26 -5.02 121.20 118.27 2hg6 s ILE 99 Ca 0.23 0.95 0.05 0.00 0.00 0.00 0.00 60.65 61.88 2hg6 s ILE 99 Cb -0.13 -4.22 -0.04 0.00 0.01 0.00 0.00 42.46 38.09 2hg6 s ILE 99 CO -0.09 -0.42 -0.02 0.42 0.00 0.00 0.00 174.94 174.83 2hg6 s THR 100 N 3.12 3.89 -0.08 2.92 -4.23 -1.26 -1.33 115.64 118.67 2hg6 s THR 100 Ca 0.32 -1.02 -0.01 0.00 -1.18 0.00 0.00 61.69 59.81 2hg6 s THR 100 Cb -0.13 -2.84 0.03 0.00 1.34 0.00 0.00 72.50 70.90 2hg6 s THR 100 CO 0.17 0.14 -0.02 0.00 -0.54 0.00 0.00 174.62 174.36 2hg6 s ALA 101 N -1.27 0.89 -0.08 3.99 0.00 0.92 -4.96 121.76 121.24 2hg6 s ALA 101 Ca 0.24 -0.25 -0.17 0.00 0.00 0.00 0.00 51.96 51.78 2hg6 s ALA 101 Cb -0.12 -0.79 0.04 0.00 0.00 0.00 0.00 23.12 22.25 2hg6 s ALA 101 CO 0.17 -0.44 0.41 1.14 0.00 0.00 0.00 175.76 177.04 2hg6 s GLN 102 N 1.88 0.66 0.46 0.00 0.00 -1.26 -0.14 119.66 121.26 2hg6 s GLN 102 Ca 0.05 0.19 -0.22 0.00 -0.00 0.00 0.00 55.36 55.38 2hg6 s GLN 102 Cb -0.12 0.31 -0.08 0.00 0.00 0.00 0.00 33.01 33.11 2hg6 s GLN 102 CO -0.06 -0.16 1.08 1.03 0.00 0.00 0.00 175.29 177.18 2hg6 s ARG 103 N -0.68 3.84 -0.69 9.60 1.81 -1.26 -4.91 118.95 126.65 2hg6 s ARG 103 Ca -0.08 1.52 -0.26 0.00 -1.72 0.00 0.00 55.73 55.19 2hg6 s ARG 103 Cb -0.04 -2.27 -0.03 0.00 -0.45 0.00 0.00 34.95 32.16 2hg6 s ARG 103 CO 0.04 -0.43 1.90 1.14 -0.68 0.00 0.00 175.30 177.26 2hg6 s GLN 104 N -2.92 2.59 0.15 3.54 -2.07 -1.26 -4.72 119.66 114.97 2hg6 s GLN 104 Ca 0.65 0.39 0.23 0.00 -1.82 0.00 0.00 55.36 54.80 2hg6 s GLN 104 Cb -0.21 -4.57 -0.01 0.00 -1.09 0.00 0.00 33.01 27.13 2hg6 s GLN 104 CO 0.26 -2.92 1.00 -0.11 -1.32 0.00 0.00 175.29 172.20 2hg6 n LEU 105 N 13.16 0.71 -0.52 2.60 7.94 -1.26 -5.32 117.00 134.31 2hg6 n LEU 105 Ca 0.26 0.24 0.07 0.00 -1.11 0.00 0.00 56.01 55.47 2hg6 n LEU 105 Cb 0.51 -0.07 0.05 0.00 0.53 0.00 0.00 43.42 44.44 2hg6 n LEU 105 CO 0.68 -0.13 0.46 0.54 -1.11 0.00 0.00 177.39 177.83