#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 3.31 0.22 3.17 0.01 -1.26 -5.00 113.70 114.15 2hg6 s SER 2 Ca 0.00 1.51 -0.15 0.00 1.31 0.00 0.00 55.95 58.62 2hg6 s SER 2 Cb 0.00 -2.19 -0.08 0.00 0.21 0.00 0.00 66.02 63.97 2hg6 s SER 2 CO 0.00 -2.74 0.64 -0.63 0.41 0.00 0.00 173.24 170.92 2hg6 s ILE 3 N -2.90 4.75 0.64 1.44 -1.09 -1.26 -4.98 121.20 117.79 2hg6 s ILE 3 Ca 0.64 0.93 -0.01 0.00 -2.23 0.00 0.00 60.65 59.97 2hg6 s ILE 3 Cb -0.18 -3.72 0.13 0.00 -1.58 0.00 0.00 42.46 37.10 2hg6 s ILE 3 CO 0.57 0.09 0.87 0.35 -1.23 0.00 0.00 174.94 175.59 2hg6 n THR 4 N 0.37 0.00 -1.02 2.92 -2.24 -1.26 -5.11 114.28 107.94 2hg6 n THR 4 Ca -0.02 -1.30 0.00 0.00 -2.27 0.00 0.00 64.05 60.47 2hg6 n THR 4 Cb 0.52 -1.01 0.00 0.00 -2.10 0.00 0.00 70.33 67.74 2hg6 n THR 4 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2hg6 n SER 5 N -2.98 0.00 0.27 3.42 2.88 -1.26 -4.80 113.62 111.14 2hg6 n SER 5 Ca 0.14 -0.96 0.14 0.00 -1.33 0.00 0.00 58.87 56.86 2hg6 n SER 5 Cb 0.50 0.00 0.64 0.00 -0.75 0.00 0.00 64.21 64.60 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 -0.93 0.06 -0.36 2.46 2.02 -2.03 0.78 112.91 114.92 2hg6 h THR 6 Ca 0.00 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.28 2hg6 h THR 6 Cb 0.00 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 2hg6 h THR 6 CO 0.00 0.00 0.51 0.44 0.37 0.00 0.00 175.52 176.84 2hg6 h ASP 7 N 0.00 0.00 -0.95 4.18 5.19 -1.99 0.16 116.42 123.01 2hg6 h ASP 7 Ca 0.06 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.48 2hg6 h ASP 7 Cb 1.09 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.55 2hg6 h ASP 7 CO -0.00 0.00 0.63 -0.29 -3.12 0.00 0.00 179.24 176.46 2hg6 h ILE 8 N 0.00 1.24 0.00 0.35 2.10 -1.15 0.28 117.51 120.33 2hg6 h ILE 8 Ca 0.17 -0.44 -0.13 0.00 1.08 0.00 0.00 64.86 65.53 2hg6 h ILE 8 Cb 1.19 -0.16 -0.02 0.00 -1.09 0.00 0.00 36.82 36.74 2hg6 h ILE 8 CO -0.00 0.24 -0.64 0.00 -1.08 0.00 0.00 178.15 176.66 2hg6 h GLN 10 N 0.00 0.49 0.00 0.00 1.08 -1.13 -3.14 115.11 112.41 2hg6 h GLN 10 Ca -0.01 -0.42 0.00 0.00 -1.45 0.00 0.00 58.65 56.77 2hg6 h GLN 10 Cb 1.23 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.76 2hg6 h GLN 10 CO 0.08 1.06 0.00 0.00 -0.95 0.00 0.00 178.83 179.02 2hg6 h ALA 11 N 0.81 1.00 0.00 3.87 0.00 -0.40 -2.09 119.26 122.45 2hg6 h ALA 11 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2hg6 h ALA 11 Cb 1.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2hg6 h ALA 11 CO 0.14 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.39 2hg6 h ALA 12 N 2.21 1.00 0.00 0.00 0.00 -1.53 -1.31 119.26 119.63 2hg6 h ALA 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2hg6 h ALA 12 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2hg6 h ALA 12 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 179.25 179.47 2hg6 h ASP 13 N 0.00 0.00 1.05 0.00 3.58 -1.57 -3.23 116.42 116.26 2hg6 h ASP 13 Ca 0.00 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 2hg6 h ASP 13 Cb 0.31 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.36 2hg6 h ASP 13 CO 0.00 0.00 -0.09 0.00 -2.88 0.00 0.00 179.24 176.27 2hg6 h ALA 14 N 2.15 1.01 -2.18 -0.78 0.00 -1.40 -3.43 119.26 114.62 2hg6 h ALA 14 Ca 0.00 -0.08 -0.55 0.00 0.00 0.00 0.00 54.91 54.27 2hg6 h ALA 14 Cb 0.90 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 2hg6 h ALA 14 CO 0.00 0.11 1.22 -0.51 0.00 0.00 0.00 179.25 180.08 2hg6 s LEU 15 N -6.43 4.09 0.05 0.00 1.02 -1.22 -4.76 118.68 111.42 2hg6 s LEU 15 Ca 0.01 2.16 0.07 0.00 0.02 0.00 0.00 54.13 56.40 2hg6 s LEU 15 Cb 0.09 -3.53 -0.03 0.00 0.02 0.00 0.00 46.19 42.75 2hg6 s LEU 15 CO 0.59 -1.25 -0.21 -1.59 0.02 0.00 0.00 176.35 173.92 2hg6 s LYS 16 N 4.77 1.37 0.00 1.70 -2.85 -1.25 -3.62 119.74 119.87 2hg6 s LYS 16 Ca 0.83 -0.95 0.00 0.00 -1.00 0.00 0.00 55.97 54.85 2hg6 s LYS 16 Cb -0.34 -1.49 0.00 0.00 -2.06 0.00 0.00 37.83 33.93 2hg6 s LYS 16 CO 0.34 0.38 0.00 0.41 0.10 0.00 0.00 175.35 176.58 2hg6 n GLY 17 N 1.82 3.85 3.30 0.59 0.00 -1.26 -4.82 105.19 108.67 2hg6 n GLY 17 Ca -0.17 -1.71 -0.35 0.00 0.00 0.00 0.00 46.02 43.78 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 -2.45 3.04 -0.09 1.61 0.40 0.43 -0.86 117.98 120.06 2hg6 s PHE 18 Ca 0.00 -1.06 -0.13 0.00 -0.60 0.00 0.00 56.93 55.14 2hg6 s PHE 18 Cb 0.00 -2.14 -0.05 0.00 0.51 0.00 0.00 43.02 41.34 2hg6 s PHE 18 CO 0.00 -0.59 0.32 0.08 0.70 0.00 0.00 175.22 175.73 2hg6 s VAL 19 N 1.46 5.23 -0.01 -0.44 1.01 0.98 -0.46 120.40 128.17 2hg6 s VAL 19 Ca 0.04 0.62 -0.08 0.00 0.00 0.00 0.00 61.98 62.55 2hg6 s VAL 19 Cb -0.16 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.60 2hg6 s VAL 19 CO -0.02 0.50 0.17 -0.83 0.00 0.00 0.00 175.10 174.92 2hg6 s GLY 20 N -0.38 -0.01 -0.15 4.51 0.00 0.93 -0.02 107.32 112.21 2hg6 s GLY 20 Ca 0.19 0.01 -0.24 0.00 0.00 0.00 0.00 44.72 44.69 2hg6 s GLY 20 CO 0.08 -0.13 0.77 -0.12 0.00 0.00 0.00 173.10 173.70 2hg6 s PHE 21 N -1.21 3.45 -0.31 1.90 5.36 -1.26 -0.40 117.98 125.51 2hg6 s PHE 21 Ca -0.13 1.20 -0.08 0.00 -0.96 0.00 0.00 56.93 56.96 2hg6 s PHE 21 Cb -0.07 -2.93 0.01 0.00 -0.34 0.00 0.00 43.02 39.70 2hg6 s PHE 21 CO 0.02 -0.15 0.12 1.21 -1.46 0.00 0.00 175.22 174.95 2hg6 s ASN 22 N 1.09 5.32 0.37 6.13 2.47 -0.66 -4.65 114.94 125.02 2hg6 s ASN 22 Ca 0.36 -0.76 0.06 0.00 0.42 0.00 0.00 52.86 52.94 2hg6 s ASN 22 Cb -0.17 -1.92 0.76 0.00 -1.45 0.00 0.00 41.25 38.47 2hg6 s ASN 22 CO 0.13 -0.24 1.98 0.08 -3.72 0.00 0.00 177.10 175.34 2hg6 h ARG 23 N 8.28 0.70 0.00 0.43 0.11 -1.86 0.12 114.38 122.17 2hg6 h ARG 23 Ca -0.30 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.74 2hg6 h ARG 23 Cb 1.12 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 32.04 2hg6 h ARG 23 CO 0.61 0.47 0.00 1.57 0.10 0.00 0.00 179.97 182.72 2hg6 h LYS 24 N 0.72 0.00 0.00 0.08 2.10 -1.94 -3.06 116.57 114.48 2hg6 h LYS 24 Ca 0.28 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.73 2hg6 h LYS 24 Cb 0.19 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.48 2hg6 h LYS 24 CO -0.09 0.00 -2.05 0.25 -2.00 0.00 0.00 179.45 175.57 2hg6 n THR 25 N -2.52 0.75 -1.20 0.07 -2.24 -0.86 -5.00 114.28 103.28 2hg6 n THR 25 Ca 0.04 -0.61 -0.03 0.00 -2.27 0.00 0.00 64.05 61.18 2hg6 n THR 25 Cb 0.41 -0.32 -0.01 0.00 -2.10 0.00 0.00 70.33 68.30 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 1.78 0.54 3.19 3.38 0.00 0.35 -5.02 105.19 109.42 2hg6 n GLY 26 Ca -0.19 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.48 1.09 -0.13 1.61 0.52 -1.22 -5.00 118.95 113.34 2hg6 s ARG 27 Ca 0.00 -1.51 -0.26 0.00 -0.52 0.00 0.00 55.73 53.44 2hg6 s ARG 27 Cb 0.00 0.27 -0.02 0.00 0.52 0.00 0.00 34.95 35.72 2hg6 s ARG 27 CO 0.00 -0.34 0.84 0.71 0.02 0.00 0.00 175.30 176.53 2hg6 s TYR 28 N -4.10 3.47 0.18 -0.53 2.02 -1.26 -1.65 117.35 115.49 2hg6 s TYR 28 Ca 0.31 1.33 0.10 0.00 -0.37 0.00 0.00 57.07 58.44 2hg6 s TYR 28 Cb 0.07 -3.01 -0.04 0.00 -0.40 0.00 0.00 41.96 38.58 2hg6 s TYR 28 CO 0.07 -0.17 -0.19 0.96 -1.57 0.00 0.00 175.55 174.65 2hg6 s ILE 29 N 1.83 2.67 -0.09 2.71 -5.25 0.47 -4.94 121.20 118.60 2hg6 s ILE 29 Ca 0.40 -1.85 0.04 0.00 -0.99 0.00 0.00 60.65 58.26 2hg6 s ILE 29 Cb -0.17 -2.28 -0.01 0.00 2.95 0.00 0.00 42.46 42.95 2hg6 s ILE 29 CO 0.15 -0.08 -0.22 -0.69 -1.79 0.00 0.00 174.94 172.31 2hg6 s VAL 30 N -1.60 2.27 0.19 8.37 1.01 -1.26 -0.05 120.40 129.33 2hg6 s VAL 30 Ca 0.21 -0.96 0.09 0.00 0.00 0.00 0.00 61.98 61.32 2hg6 s VAL 30 Cb -0.09 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 2hg6 s VAL 30 CO 0.11 0.56 -0.18 -0.13 0.00 0.00 0.00 175.10 175.46 2hg6 s ARG 31 N 0.11 1.36 0.05 2.72 0.52 0.39 -4.94 118.95 119.17 2hg6 s ARG 31 Ca -0.11 -1.50 -0.01 0.00 -0.52 0.00 0.00 55.73 53.59 2hg6 s ARG 31 Cb -0.16 -1.39 -0.27 0.00 0.52 0.00 0.00 34.95 33.65 2hg6 s ARG 31 CO 0.06 0.27 1.04 0.35 0.02 0.00 0.00 175.30 177.04 2hg6 h PHE 32 N 2.99 0.37 -3.46 -0.53 3.57 -1.96 0.12 116.94 118.04 2hg6 h PHE 32 Ca -0.42 -0.27 -0.64 0.00 3.53 0.00 0.00 57.97 60.17 2hg6 h PHE 32 Cb 1.22 -0.01 -0.23 0.00 2.79 0.00 0.00 35.95 39.72 2hg6 h PHE 32 CO 0.70 1.26 -0.65 0.45 -2.23 0.00 0.00 178.31 177.84 2hg6 s SER 33 N -6.96 4.92 0.36 0.41 0.15 -1.26 -4.66 113.70 106.66 2hg6 s SER 33 Ca -0.05 -0.19 0.27 0.00 0.70 0.00 0.00 55.95 56.68 2hg6 s SER 33 Cb 0.07 -1.85 1.13 0.00 -1.71 0.00 0.00 66.02 63.67 2hg6 s SER 33 CO 0.86 0.05 1.81 1.05 1.20 0.00 0.00 173.24 178.21 2hg6 h GLU 34 N 7.59 0.00 0.00 5.44 4.11 -1.93 -2.58 114.58 127.21 2hg6 h GLU 34 Ca -0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.06 2hg6 h GLU 34 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2hg6 h GLU 34 CO 0.61 0.00 0.00 -3.47 0.07 0.00 0.00 179.01 176.22 2hg6 n ASP 35 N -2.54 0.00 -0.05 3.06 2.03 -1.26 -3.17 116.55 114.61 2hg6 n ASP 35 Ca 0.02 0.15 0.13 0.00 0.52 0.00 0.00 54.79 55.60 2hg6 n ASP 35 Cb 0.25 -0.37 0.39 0.00 -0.72 0.00 0.00 41.12 40.67 2hg6 n ASP 35 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2hg6 n SER 36 N -1.37 0.47 -4.70 1.67 7.64 -0.97 -4.82 113.62 111.54 2hg6 n SER 36 Ca 0.10 -0.24 -0.42 0.00 1.01 0.00 0.00 58.87 59.32 2hg6 n SER 36 Cb 0.24 0.04 -0.03 0.00 -1.01 0.00 0.00 64.21 63.45 2hg6 n SER 36 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2hg6 s PHE 37 N -2.86 3.61 0.40 1.43 0.08 -1.19 -5.04 117.98 114.41 2hg6 s PHE 37 Ca 0.16 1.62 -0.00 0.00 0.12 0.00 0.00 56.93 58.83 2hg6 s PHE 37 Cb 0.18 -3.10 0.08 0.00 -0.57 0.00 0.00 43.02 39.61 2hg6 s PHE 37 CO 0.61 -0.05 0.54 0.41 -0.10 0.00 0.00 175.22 176.63 2hg6 n GLY 38 N 2.98 0.69 0.09 4.36 0.00 -1.26 -4.94 105.19 107.11 2hg6 n GLY 38 Ca 0.06 -1.99 0.10 0.00 0.00 0.00 0.00 46.02 44.19 2hg6 n GLY 38 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2hg6 n MET 39 N -2.00 0.14 0.00 1.61 1.56 -1.26 -1.35 117.12 115.81 2hg6 n MET 39 Ca 0.09 0.37 0.14 0.00 -0.27 0.00 0.00 57.70 58.03 2hg6 n MET 39 Cb 0.32 -1.76 0.66 0.00 2.15 0.00 0.00 33.22 34.59 2hg6 n MET 39 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 2hg6 n ASP 40 N -2.01 0.05 -4.51 6.12 2.03 -1.26 -4.72 116.55 112.24 2hg6 n ASP 40 Ca 0.02 0.15 -0.33 0.00 0.52 0.00 0.00 54.79 55.15 2hg6 n ASP 40 Cb 0.21 -0.36 -0.12 0.00 -0.72 0.00 0.00 41.12 40.13 2hg6 n ASP 40 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2hg6 s VAL 41 N -2.80 3.34 0.23 5.18 1.01 -0.46 -4.72 120.40 122.18 2hg6 s VAL 41 Ca 0.21 -0.61 -0.30 0.00 0.00 0.00 0.00 61.98 61.27 2hg6 s VAL 41 Cb 0.20 -2.34 -0.09 0.00 0.00 0.00 0.00 36.38 34.15 2hg6 s VAL 41 CO 0.51 0.59 1.18 0.00 0.00 0.00 0.00 175.10 177.37 2hg6 s ALA 42 N -0.67 3.43 0.15 5.51 0.00 -1.26 -4.78 121.76 124.14 2hg6 s ALA 42 Ca 0.10 0.97 -0.15 0.00 0.00 0.00 0.00 51.96 52.88 2hg6 s ALA 42 Cb -0.11 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.64 2hg6 s ALA 42 CO 0.01 -0.33 1.72 0.22 0.00 0.00 0.00 175.76 177.38 2hg6 h ASP 43 N 4.58 0.60 0.42 0.00 3.58 -1.95 -1.88 116.42 121.78 2hg6 h ASP 43 Ca -0.46 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 56.86 2hg6 h ASP 43 Cb 1.21 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.11 2hg6 h ASP 43 CO 0.71 0.57 0.00 0.47 -2.88 0.00 0.00 179.24 178.11 2hg6 n ASP 44 N -4.64 0.00 0.08 2.28 9.92 -1.26 -1.80 116.55 121.12 2hg6 n ASP 44 Ca 0.01 0.32 -0.07 0.00 -0.53 0.00 0.00 54.79 54.51 2hg6 n ASP 44 Cb 0.12 -0.41 -0.07 0.00 -0.64 0.00 0.00 41.12 40.12 2hg6 n ASP 44 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 2hg6 h SER 45 N 0.00 0.05 -2.40 -2.24 0.87 -1.70 -3.43 113.55 104.71 2hg6 h SER 45 Ca 0.00 -0.05 -0.56 0.00 -1.23 0.00 0.00 61.79 59.95 2hg6 h SER 45 Cb 0.21 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 2hg6 h SER 45 CO 0.00 0.98 1.35 -0.63 -0.53 0.00 0.00 176.83 178.00 2hg6 s ILE 46 N -2.86 3.34 -0.06 2.23 1.01 -0.75 -4.22 121.20 119.90 2hg6 s ILE 46 Ca 0.00 0.33 -0.00 0.00 0.00 0.00 0.00 60.65 60.98 2hg6 s ILE 46 Cb 0.10 -3.51 0.03 0.00 0.01 0.00 0.00 42.46 39.09 2hg6 s ILE 46 CO 0.82 -0.36 -0.02 -0.89 0.00 0.00 0.00 174.94 174.49 2hg6 s THR 47 N 7.72 0.43 0.18 2.92 2.01 0.97 -4.93 115.64 124.95 2hg6 s THR 47 Ca 0.84 0.02 -0.33 0.00 0.31 0.00 0.00 61.69 62.52 2hg6 s THR 47 Cb -0.23 -0.53 -0.14 0.00 0.01 0.00 0.00 72.50 71.61 2hg6 s THR 47 CO 0.32 0.24 1.43 -2.65 -0.69 0.00 0.00 174.62 173.27 2hg6 n PRO 48 N 4.62 1.86 0.23 4.92 -0.02 -1.26 -0.02 135.00 145.34 2hg6 n PRO 48 Ca -0.16 0.67 0.16 0.00 -2.02 0.00 0.00 63.50 62.15 2hg6 n PRO 48 Cb 0.50 -2.34 0.79 0.00 -0.02 0.00 0.00 33.50 32.43 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 3.24 0.00 0.04 3.45 1.03 -1.28 0.34 112.91 119.73 2hg6 h THR 49 Ca -0.45 -0.14 -0.00 0.00 -0.01 0.00 0.00 66.41 65.81 2hg6 h THR 49 Cb 1.28 0.93 0.00 0.00 -1.07 0.00 0.00 68.15 69.29 2hg6 h THR 49 CO 0.80 0.00 -0.02 0.77 -0.01 0.00 0.00 175.52 177.06 2hg6 h SER 50 N 0.00 -0.04 1.08 0.00 4.64 -1.81 -3.25 113.55 114.16 2hg6 h SER 50 Ca 0.00 -0.52 -0.04 0.00 -0.47 0.00 0.00 61.79 60.76 2hg6 h SER 50 Cb 0.17 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 2hg6 h SER 50 CO 0.00 0.52 -0.19 -0.08 -0.87 0.00 0.00 176.83 176.21 2hg6 h GLU 51 N -0.62 0.00 -0.85 4.77 4.81 -1.62 -3.19 114.58 117.88 2hg6 h GLU 51 Ca -0.01 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.31 2hg6 h GLU 51 Cb 0.56 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.89 2hg6 h GLU 51 CO 0.01 0.19 0.55 0.35 -0.73 0.00 0.00 179.01 179.38 2hg6 h PHE 52 N 0.00 0.91 0.00 0.92 3.57 -1.00 -1.48 116.94 119.85 2hg6 h PHE 52 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2hg6 h PHE 52 Cb 0.78 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.23 2hg6 h PHE 52 CO 0.00 0.44 -0.08 -0.39 -2.23 0.00 0.00 178.31 176.04 2hg6 h VAL 53 N 0.86 0.00 -3.06 1.41 -1.51 -1.65 -3.44 116.25 108.85 2hg6 h VAL 53 Ca 0.39 -0.87 -0.58 0.00 -1.23 0.00 0.00 66.70 64.41 2hg6 h VAL 53 Cb 0.36 1.82 -0.06 0.00 -2.13 0.00 0.00 31.29 31.29 2hg6 h VAL 53 CO -0.15 0.00 0.81 0.26 -1.23 0.00 0.00 177.57 177.25 2hg6 s TRP 54 N -3.19 3.27 -0.39 5.19 0.52 -0.56 -0.05 118.94 123.73 2hg6 s TRP 54 Ca 0.07 1.40 -0.06 0.00 0.02 0.00 0.00 56.10 57.54 2hg6 s TRP 54 Cb 0.07 -3.30 0.08 0.00 -1.15 0.00 0.00 33.47 29.17 2hg6 s TRP 54 CO 0.66 -0.66 0.19 -1.12 0.02 0.00 0.00 176.95 176.05 2hg6 s SER 55 N 1.31 5.37 -0.30 2.95 0.01 0.98 -4.93 113.70 119.10 2hg6 s SER 55 Ca 0.46 -1.65 -0.29 0.00 1.31 0.00 0.00 55.95 55.78 2hg6 s SER 55 Cb -0.16 -1.88 0.00 0.00 0.21 0.00 0.00 66.02 64.19 2hg6 s SER 55 CO 0.08 -0.49 1.29 -0.44 0.41 0.00 0.00 173.24 174.08 2hg6 s SER 56 N 1.87 6.69 0.00 2.44 0.01 -1.26 -0.41 113.70 123.03 2hg6 s SER 56 Ca 0.03 1.20 0.14 0.00 1.31 0.00 0.00 55.95 58.64 2hg6 s SER 56 Cb -0.22 -2.54 0.18 0.00 0.21 0.00 0.00 66.02 63.64 2hg6 s SER 56 CO -0.01 -1.07 1.04 1.33 0.41 0.00 0.00 173.24 174.95 2hg6 n VAL 57 N 6.18 0.23 -3.39 3.43 0.24 -0.54 -4.98 118.33 119.50 2hg6 n VAL 57 Ca 0.15 -0.61 -0.04 0.00 -2.04 0.00 0.00 64.34 61.79 2hg6 n VAL 57 Cb 0.47 1.12 0.01 0.00 -1.47 0.00 0.00 33.84 33.97 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 0.81 0.50 0.02 7.34 3.00 -0.97 -4.99 116.66 122.37 2hg6 n ARG 58 Ca 0.10 -0.98 -0.11 0.00 -0.00 0.00 0.00 57.85 56.85 2hg6 n ARG 58 Cb 0.38 1.24 -0.07 0.00 0.00 0.00 0.00 32.46 34.01 2hg6 n ARG 58 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 2hg6 h ASP 59 N 0.90 -1.21 0.00 6.15 5.19 -2.02 -3.34 116.42 122.10 2hg6 h ASP 59 Ca -0.15 0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 2hg6 h ASP 59 Cb 0.56 0.46 0.00 0.00 0.18 0.00 0.00 39.33 40.53 2hg6 h ASP 59 CO 0.19 -0.37 -0.96 0.47 -3.12 0.00 0.00 179.24 175.45 2hg6 n ASP 60 N -4.61 2.66 -4.59 6.45 8.00 -1.26 -4.96 116.55 118.23 2hg6 n ASP 60 Ca -0.05 -0.19 -0.42 0.00 0.71 0.00 0.00 54.79 54.84 2hg6 n ASP 60 Cb 0.28 1.18 -0.02 0.00 -0.02 0.00 0.00 41.12 42.54 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 -2.14 3.67 0.04 2.53 1.01 -1.25 -4.32 120.40 119.95 2hg6 s VAL 61 Ca -0.01 0.66 0.08 0.00 0.00 0.00 0.00 61.98 62.70 2hg6 s VAL 61 Cb 0.04 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 2hg6 s VAL 61 CO 0.24 -0.69 -0.20 -0.04 0.00 0.00 0.00 175.10 174.41 2hg6 s MET 62 N 5.47 2.01 0.02 2.72 -1.94 -0.53 -1.47 119.30 125.58 2hg6 s MET 62 Ca 0.68 -1.01 0.05 0.00 -1.71 0.00 0.00 55.69 53.70 2hg6 s MET 62 Cb -0.17 -2.14 -0.03 0.00 2.01 0.00 0.00 34.83 34.50 2hg6 s MET 62 CO 0.31 0.53 -0.12 -0.98 -0.01 0.00 0.00 175.02 174.75 2hg6 s ARG 63 N -1.41 2.33 -0.38 2.03 1.70 0.45 -0.85 118.95 122.81 2hg6 s ARG 63 Ca 0.14 -0.84 -0.29 0.00 -0.47 0.00 0.00 55.73 54.27 2hg6 s ARG 63 Cb -0.10 -2.35 0.00 0.00 -0.57 0.00 0.00 34.95 31.93 2hg6 s ARG 63 CO 0.05 0.57 1.47 -1.17 -1.08 0.00 0.00 175.30 175.14 2hg6 s LEU 64 N -1.40 3.61 -0.57 -1.89 1.98 0.61 -0.02 118.68 121.00 2hg6 s LEU 64 Ca 0.16 0.95 -0.26 0.00 -2.89 0.00 0.00 54.13 52.09 2hg6 s LEU 64 Cb -0.11 -3.54 0.04 0.00 0.66 0.00 0.00 46.19 43.24 2hg6 s LEU 64 CO 0.06 -1.44 1.04 -0.83 -1.89 0.00 0.00 176.35 173.29 2hg6 s GLY 65 N 4.17 1.29 0.43 7.98 0.00 0.93 -4.33 107.32 117.80 2hg6 s GLY 65 Ca 0.64 -1.10 0.22 0.00 0.00 0.00 0.00 44.72 44.48 2hg6 s GLY 65 CO 0.32 2.23 1.85 0.07 0.00 0.00 0.00 173.10 177.57 2hg6 h ARG 66 N 9.42 0.00 0.00 2.90 -0.00 -1.91 -2.44 114.38 122.35 2hg6 h ARG 66 Ca -0.26 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.70 2hg6 h ARG 66 Cb 1.07 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.03 2hg6 h ARG 66 CO 1.13 0.27 -0.09 1.05 -0.00 0.00 0.00 179.97 182.33 2hg6 h GLU 67 N 0.00 0.00 -0.12 0.08 9.09 -1.96 -1.92 114.58 119.75 2hg6 h GLU 67 Ca -0.00 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.26 2hg6 h GLU 67 Cb 0.69 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.78 2hg6 h GLU 67 CO 0.03 0.09 -0.54 1.96 0.05 0.00 0.00 179.01 180.60 2hg6 h GLN 68 N 0.00 0.35 0.00 1.06 1.08 -1.79 -2.94 115.11 112.88 2hg6 h GLN 68 Ca -0.00 -0.22 -0.04 0.00 -1.45 0.00 0.00 58.65 56.94 2hg6 h GLN 68 Cb 0.39 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 2hg6 h GLN 68 CO 0.01 0.81 -0.18 -0.07 -0.95 0.00 0.00 178.83 178.45 2hg6 h LEU 69 N 0.27 0.00 -1.52 1.46 3.38 -1.41 -2.07 115.31 115.43 2hg6 h LEU 69 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.06 2hg6 h LEU 69 Cb 1.04 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 2hg6 h LEU 69 CO 0.09 0.18 0.43 1.56 0.09 0.00 0.00 178.44 180.79 2hg6 h GLN 70 N 0.00 0.55 -0.03 1.13 1.08 -1.53 0.66 115.11 116.96 2hg6 h GLN 70 Ca -0.00 -0.03 -0.22 0.00 -1.45 0.00 0.00 58.65 56.95 2hg6 h GLN 70 Cb 0.37 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 2hg6 h GLN 70 CO 0.02 0.36 -0.88 0.82 -0.95 0.00 0.00 178.83 178.21 2hg6 h ILE 71 N 0.56 1.38 -0.00 2.54 2.04 -1.52 -3.29 117.51 119.22 2hg6 h ILE 71 Ca 0.29 -2.32 -0.16 0.00 1.00 0.00 0.00 64.86 63.67 2hg6 h ILE 71 Cb 0.41 2.30 -0.02 0.00 -0.74 0.00 0.00 36.82 38.77 2hg6 h ILE 71 CO -0.09 0.70 -0.76 -0.07 0.00 0.00 0.00 178.15 177.93 2hg6 h LEU 72 N 0.27 0.01 -1.63 1.44 3.38 -1.13 -3.12 115.31 114.53 2hg6 h LEU 72 Ca -0.07 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2hg6 h LEU 72 Cb 1.49 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 2hg6 h LEU 72 CO 0.15 0.77 -0.18 0.17 0.09 0.00 0.00 178.44 179.44 2hg6 h LEU 73 N 0.00 0.00 0.00 1.67 8.10 -1.00 -1.91 115.31 122.17 2hg6 h LEU 73 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.98 2hg6 h LEU 73 Cb 1.35 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.57 2hg6 h LEU 73 CO 0.10 0.18 0.00 -0.62 -4.11 0.00 0.00 178.44 173.99 2hg6 n GLU 74 N -3.64 0.40 0.07 0.17 1.02 -1.18 -0.94 120.64 116.54 2hg6 n GLU 74 Ca -0.01 0.07 -0.02 0.00 -0.02 0.00 0.00 57.16 57.18 2hg6 n GLU 74 Cb 0.31 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.17 2hg6 n GLU 74 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2hg6 h GLN 75 N 0.00 0.00 0.00 3.49 1.08 -1.52 -3.47 115.11 114.69 2hg6 h GLN 75 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2hg6 h GLN 75 Cb 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 2hg6 h GLN 75 CO 0.00 0.55 0.00 -1.71 -0.95 0.00 0.00 178.83 176.72 2hg6 n ASN 76 N -3.13 0.00 -1.85 1.46 2.85 -0.12 -4.74 115.26 109.74 2hg6 n ASN 76 Ca -0.04 0.00 -0.09 0.00 -0.11 0.00 0.00 54.58 54.35 2hg6 n ASN 76 Cb 0.85 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 41.76 2hg6 n ASN 76 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 2hg6 n ILE 77 N 0.00 2.67 -0.35 -1.44 -5.35 -1.26 -4.61 119.36 109.03 2hg6 n ILE 77 Ca 0.00 -1.22 0.13 0.00 -0.27 0.00 0.00 62.75 61.39 2hg6 n ILE 77 Cb 0.00 -1.81 0.32 0.00 -1.74 0.00 0.00 39.64 36.41 2hg6 n ILE 77 CO 0.00 0.00 0.00 0.78 -1.76 0.00 0.00 176.55 175.57 2hg6 h ASN 78 N 2.31 0.79 -0.32 7.28 4.21 -1.89 0.31 115.58 128.26 2hg6 h ASN 78 Ca 0.13 0.09 -0.06 0.00 1.21 0.00 0.00 56.30 57.68 2hg6 h ASN 78 Cb 1.31 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 38.45 2hg6 h ASN 78 CO 0.18 0.30 -0.02 -0.33 -1.29 0.00 0.00 177.43 176.27 2hg6 h GLU 79 N 0.78 0.57 -0.44 0.81 5.08 -1.86 -0.80 114.58 118.73 2hg6 h GLU 79 Ca 0.57 -0.20 -0.13 0.00 -1.00 0.00 0.00 59.36 58.60 2hg6 h GLU 79 Cb 0.87 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 2hg6 h GLU 79 CO -0.36 0.73 -0.23 -0.09 -1.00 0.00 0.00 179.01 178.06 2hg6 h ARG 80 N 0.36 0.93 0.00 2.33 2.43 -1.41 -1.92 114.38 117.11 2hg6 h ARG 80 Ca 0.09 -0.42 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 2hg6 h ARG 80 Cb 0.48 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2hg6 h ARG 80 CO 0.02 1.08 0.00 -0.11 -1.51 0.00 0.00 179.97 179.45 2hg6 n LEU 81 N -4.15 0.00 -2.05 3.80 7.94 0.89 -4.88 117.00 118.54 2hg6 n LEU 81 Ca -0.01 0.42 -0.12 0.00 -1.11 0.00 0.00 56.01 55.19 2hg6 n LEU 81 Cb 0.46 -0.42 0.04 0.00 0.53 0.00 0.00 43.42 44.03 2hg6 n LEU 81 CO 0.46 -0.17 0.11 -3.20 -1.11 0.00 0.00 177.39 173.49 2hg6 n ASN 82 N -1.42 -4.24 -4.71 1.96 5.15 -0.72 -3.83 115.26 107.45 2hg6 n ASN 82 Ca 0.06 -0.26 -0.42 0.00 -0.60 0.00 0.00 54.58 53.35 2hg6 n ASN 82 Cb 0.18 -2.84 -0.03 0.00 -0.53 0.00 0.00 39.78 36.56 2hg6 n ASN 82 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2hg6 s ILE 83 N -3.13 4.36 0.46 -1.44 1.09 -0.37 -3.56 121.20 118.61 2hg6 s ILE 83 Ca 0.29 1.69 -0.25 0.00 -1.10 0.00 0.00 60.65 61.28 2hg6 s ILE 83 Cb -0.13 -4.08 -0.08 0.00 -1.06 0.00 0.00 42.46 37.11 2hg6 s ILE 83 CO 0.36 0.12 1.37 0.61 -0.10 0.00 0.00 174.94 177.29 2hg6 n GLY 84 N 3.12 0.83 0.17 6.18 0.00 -1.26 -4.77 105.19 109.46 2hg6 n GLY 84 Ca 0.08 0.16 -0.08 0.00 0.00 0.00 0.00 46.02 46.18 2hg6 n GLY 84 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2hg6 h GLU 85 N 2.09 0.52 0.00 1.61 5.08 -1.94 -0.67 114.58 121.27 2hg6 h GLU 85 Ca -0.50 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 2hg6 h GLU 85 Cb 1.28 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2hg6 h GLU 85 CO 0.60 0.35 0.12 -1.35 -1.00 0.00 0.00 179.01 177.73 2hg6 h PRO 86 N 0.53 0.00 0.00 2.33 0.11 -1.93 0.46 132.00 133.51 2hg6 h PRO 86 Ca 0.14 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.07 2hg6 h PRO 86 Cb -0.05 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.04 2hg6 h PRO 86 CO -0.03 0.00 -0.84 -0.07 -0.21 0.00 0.00 178.00 176.85 2hg6 h LEU 87 N 0.00 0.05 -0.16 2.35 -0.00 -1.42 -2.07 115.31 114.05 2hg6 h LEU 87 Ca 0.00 -0.04 -0.09 0.00 -0.00 0.00 0.00 57.88 57.75 2hg6 h LEU 87 Cb 0.24 -0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 40.88 2hg6 h LEU 87 CO 0.00 0.86 -0.24 -0.07 -0.00 0.00 0.00 178.44 178.99 2hg6 h LEU 88 N 0.02 0.50 -1.13 1.67 4.07 -0.82 -2.97 115.31 116.64 2hg6 h LEU 88 Ca -0.02 -0.52 -0.08 0.00 0.08 0.00 0.00 57.88 57.35 2hg6 h LEU 88 Cb 1.48 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 43.07 2hg6 h LEU 88 CO 0.11 0.92 -0.23 -0.37 -1.08 0.00 0.00 178.44 177.79 2hg6 h VAL 89 N 0.09 1.24 -0.95 1.22 -1.51 -1.52 -1.53 116.25 113.29 2hg6 h VAL 89 Ca 0.02 -1.13 0.06 0.00 -1.23 0.00 0.00 66.70 64.41 2hg6 h VAL 89 Cb 0.81 1.37 -0.06 0.00 -2.13 0.00 0.00 31.29 31.27 2hg6 h VAL 89 CO 0.06 0.35 0.61 0.22 -1.23 0.00 0.00 177.57 177.58 2hg6 h TYR 90 N 0.29 1.14 -0.35 5.19 3.20 -1.35 0.57 116.97 125.67 2hg6 h TYR 90 Ca 0.05 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.81 2hg6 h TYR 90 Cb 0.58 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 2hg6 h TYR 90 CO 0.01 0.61 -0.32 1.25 -1.64 0.00 0.00 178.16 178.07 2hg6 h LEU 91 N 1.14 0.88 -0.29 2.82 6.46 -1.21 -3.03 115.31 122.08 2hg6 h LEU 91 Ca 0.40 -0.46 -0.07 0.00 -0.12 0.00 0.00 57.88 57.63 2hg6 h LEU 91 Cb 0.12 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 39.79 2hg6 h LEU 91 CO -0.16 1.16 -0.10 0.03 -0.62 0.00 0.00 178.44 178.75 2hg6 h ARG 92 N 0.62 0.58 -2.29 1.25 3.08 -0.61 -3.43 114.38 113.58 2hg6 h ARG 92 Ca 0.06 -0.24 -0.18 0.00 0.07 0.00 0.00 59.98 59.69 2hg6 h ARG 92 Cb 0.90 -0.02 -0.31 0.00 0.08 0.00 0.00 29.97 30.62 2hg6 h ARG 92 CO 0.08 0.80 -0.49 0.50 -1.07 0.00 0.00 179.97 179.78 2hg6 s ARG 93 N -4.68 0.28 -0.75 0.04 3.52 0.19 -5.09 118.95 112.47 2hg6 s ARG 93 Ca -0.13 0.61 -0.21 0.00 -0.13 0.00 0.00 55.73 55.86 2hg6 s ARG 93 Cb 0.08 -0.38 0.09 0.00 -1.56 0.00 0.00 34.95 33.18 2hg6 s ARG 93 CO 0.78 -0.51 1.02 1.14 -0.81 0.00 0.00 175.30 176.92 2hg6 s GLN 94 N 2.50 3.26 0.15 5.12 -2.07 -1.15 -4.12 119.66 123.36 2hg6 s GLN 94 Ca 0.07 -1.12 -0.17 0.00 -1.82 0.00 0.00 55.36 52.31 2hg6 s GLN 94 Cb -0.14 -4.47 0.06 0.00 -1.09 0.00 0.00 33.01 27.37 2hg6 s GLN 94 CO -0.13 -1.81 1.70 0.22 -1.32 0.00 0.00 175.29 173.95 2hg6 h ASP 95 N 9.36 -0.16 -3.70 12.60 3.58 -1.91 -3.35 116.42 132.85 2hg6 h ASP 95 Ca -0.14 0.08 -0.64 0.00 0.42 0.00 0.00 57.03 56.75 2hg6 h ASP 95 Cb 1.06 0.14 -0.18 0.00 1.72 0.00 0.00 39.33 42.07 2hg6 h ASP 95 CO 1.17 -0.04 -0.55 -0.76 -2.88 0.00 0.00 179.24 176.18 2hg6 s LEU 96 N -10.46 3.86 0.34 2.28 1.43 -1.26 -4.99 118.68 109.87 2hg6 s LEU 96 Ca -0.13 -0.03 0.10 0.00 -1.03 0.00 0.00 54.13 53.04 2hg6 s LEU 96 Cb 0.13 -2.05 0.87 0.00 0.03 0.00 0.00 46.19 45.17 2hg6 s LEU 96 CO 0.70 0.00 1.78 -0.65 0.23 0.00 0.00 176.35 178.41 2hg6 h PRO 97 N 7.97 0.61 -2.65 1.29 0.11 -2.00 -3.38 132.00 133.95 2hg6 h PRO 97 Ca -0.37 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.56 2hg6 h PRO 97 Cb 1.18 -0.14 -0.29 0.00 0.11 0.00 0.00 31.00 31.86 2hg6 h PRO 97 CO 0.60 0.40 -0.43 -1.83 -0.21 0.00 0.00 178.00 176.53 2hg6 s GLU 98 N -5.72 0.25 -0.48 1.05 -1.05 -1.26 -4.92 118.70 106.58 2hg6 s GLU 98 Ca -0.10 0.93 -0.28 0.00 -0.15 0.00 0.00 54.97 55.36 2hg6 s GLU 98 Cb 0.25 0.19 0.00 0.00 -0.44 0.00 0.00 34.13 34.14 2hg6 s GLU 98 CO 0.80 -0.26 1.56 0.42 0.95 0.00 0.00 175.26 178.72 2hg6 s ILE 99 N 2.54 3.69 -0.16 1.83 1.01 -1.26 -4.82 121.20 124.03 2hg6 s ILE 99 Ca -0.01 0.63 -0.08 0.00 0.00 0.00 0.00 60.65 61.20 2hg6 s ILE 99 Cb -0.12 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 2hg6 s ILE 99 CO -0.11 -0.86 0.10 0.42 0.00 0.00 0.00 174.94 174.49 2hg6 s THR 100 N 6.49 5.17 -0.04 2.92 -4.23 -1.26 -0.28 115.64 124.41 2hg6 s THR 100 Ca 0.63 0.10 0.02 0.00 -1.18 0.00 0.00 61.69 61.25 2hg6 s THR 100 Cb -0.14 -3.31 0.02 0.00 1.34 0.00 0.00 72.50 70.41 2hg6 s THR 100 CO 0.28 0.51 -0.07 0.00 -0.54 0.00 0.00 174.62 174.81 2hg6 s ALA 101 N -0.13 0.82 0.00 3.99 0.00 -0.03 -4.98 121.76 121.43 2hg6 s ALA 101 Ca 0.09 -0.17 -0.09 0.00 0.00 0.00 0.00 51.96 51.79 2hg6 s ALA 101 Cb -0.12 -0.42 0.01 0.00 0.00 0.00 0.00 23.12 22.59 2hg6 s ALA 101 CO 0.01 0.05 0.18 1.14 0.00 0.00 0.00 175.76 177.13 2hg6 s GLN 102 N 0.72 0.54 -0.08 0.00 1.03 -1.26 -1.45 119.66 119.16 2hg6 s GLN 102 Ca -0.11 -0.38 -0.01 0.00 0.04 0.00 0.00 55.36 54.90 2hg6 s GLN 102 Cb -0.14 0.23 -0.03 0.00 0.03 0.00 0.00 33.01 33.10 2hg6 s GLN 102 CO 0.01 -0.14 -0.04 1.03 -2.54 0.00 0.00 175.29 173.62 2hg6 s ARG 103 N -1.50 2.91 -0.41 9.60 0.52 -1.26 -5.03 118.95 123.77 2hg6 s ARG 103 Ca -0.14 -0.48 -0.27 0.00 -0.52 0.00 0.00 55.73 54.32 2hg6 s ARG 103 Cb -0.06 -2.70 -0.03 0.00 0.52 0.00 0.00 34.95 32.67 2hg6 s ARG 103 CO 0.02 0.66 2.00 1.14 0.02 0.00 0.00 175.30 179.13 2hg6 s GLN 104 N -0.77 2.89 0.12 3.54 -2.07 -1.26 -4.75 119.66 117.36 2hg6 s GLN 104 Ca 0.12 1.31 0.24 0.00 -1.82 0.00 0.00 55.36 55.21 2hg6 s GLN 104 Cb -0.11 -4.35 0.23 0.00 -1.09 0.00 0.00 33.01 27.69 2hg6 s GLN 104 CO 0.02 -2.39 1.21 1.25 -1.32 0.00 0.00 175.29 174.07 2hg6 h LEU 105 N 15.72 0.00 -0.07 2.60 5.85 -2.05 -3.56 115.31 133.79 2hg6 h LEU 105 Ca -0.31 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.20 2hg6 h LEU 105 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 2hg6 h LEU 105 CO 1.09 0.10 0.00 -1.14 -0.34 0.00 0.00 178.44 178.15