#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 4.68 0.50 7.83 0.01 -1.26 -4.89 113.70 120.58 2hg6 s SER 2 Ca 0.00 -1.20 -0.20 0.00 1.31 0.00 0.00 55.95 55.86 2hg6 s SER 2 Cb 0.00 0.39 -0.07 0.00 0.21 0.00 0.00 66.02 66.55 2hg6 s SER 2 CO 0.00 -1.12 1.09 -0.63 0.41 0.00 0.00 173.24 172.99 2hg6 s ILE 3 N -2.76 3.45 0.52 1.44 -1.09 -1.26 -5.00 121.20 116.50 2hg6 s ILE 3 Ca 0.37 0.93 -0.02 0.00 -2.23 0.00 0.00 60.65 59.70 2hg6 s ILE 3 Cb -0.03 -3.39 0.11 0.00 -1.58 0.00 0.00 42.46 37.57 2hg6 s ILE 3 CO 0.23 -0.17 0.72 0.35 -1.23 0.00 0.00 174.94 174.84 2hg6 n THR 4 N -1.01 0.00 -0.88 2.92 -2.24 -1.26 -5.10 114.28 106.70 2hg6 n THR 4 Ca 0.10 -1.03 -0.05 0.00 -2.27 0.00 0.00 64.05 60.80 2hg6 n THR 4 Cb 0.51 -1.13 0.04 0.00 -2.10 0.00 0.00 70.33 67.65 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 -3.02 -0.57 0.19 3.42 7.64 -1.26 -4.78 113.62 115.24 2hg6 n SER 5 Ca 0.11 -0.85 0.18 0.00 1.01 0.00 0.00 58.87 59.32 2hg6 n SER 5 Cb 0.40 -0.17 0.73 0.00 -1.01 0.00 0.00 64.21 64.16 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 -1.42 0.18 -0.48 0.44 2.02 -2.03 0.17 112.91 111.80 2hg6 h THR 6 Ca -0.07 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.25 2hg6 h THR 6 Cb 0.21 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 2hg6 h THR 6 CO 0.05 0.00 0.49 0.44 0.37 0.00 0.00 175.52 176.87 2hg6 h ASP 7 N 0.00 0.00 -0.50 4.18 3.32 -2.00 0.14 116.42 121.55 2hg6 h ASP 7 Ca 0.12 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.20 2hg6 h ASP 7 Cb 1.04 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.56 2hg6 h ASP 7 CO -0.00 0.00 0.33 -0.29 -1.72 0.00 0.00 179.24 177.56 2hg6 h ILE 8 N 0.00 1.05 -0.03 0.35 2.10 -1.26 -0.94 117.51 118.78 2hg6 h ILE 8 Ca 0.23 -0.19 -0.21 0.00 1.08 0.00 0.00 64.86 65.76 2hg6 h ILE 8 Cb 1.20 0.44 0.00 0.00 -1.09 0.00 0.00 36.82 37.37 2hg6 h ILE 8 CO -0.00 0.10 -0.86 0.00 -1.08 0.00 0.00 178.15 176.31 2hg6 h GLN 10 N 0.26 0.33 0.00 0.00 1.08 -1.36 -3.03 115.11 112.40 2hg6 h GLN 10 Ca -0.06 -0.29 0.00 0.00 -1.45 0.00 0.00 58.65 56.85 2hg6 h GLN 10 Cb 1.48 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.98 2hg6 h GLN 10 CO 0.15 0.95 0.00 0.00 -0.95 0.00 0.00 178.83 178.98 2hg6 h ALA 11 N 0.97 1.00 0.00 3.87 0.00 -1.24 -0.41 119.26 123.45 2hg6 h ALA 11 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2hg6 h ALA 11 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2hg6 h ALA 11 CO 0.13 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.38 2hg6 h ALA 12 N 2.12 1.00 0.00 0.00 0.00 -1.61 -2.18 119.26 118.59 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 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 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 1.31 0.00 3.58 -1.24 -3.11 116.42 116.96 2hg6 h ASP 13 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2hg6 h ASP 13 Cb 0.46 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.51 2hg6 h ASP 13 CO 0.00 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.36 2hg6 h ALA 14 N 2.35 1.00 -2.32 -0.78 0.00 -1.53 -3.44 119.26 114.54 2hg6 h ALA 14 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 2hg6 h ALA 14 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2hg6 h ALA 14 CO 0.00 0.00 1.09 -0.51 0.00 0.00 0.00 179.25 179.83 2hg6 s LEU 15 N -4.66 4.35 0.03 0.00 1.02 -1.18 -4.91 118.68 113.34 2hg6 s LEU 15 Ca 0.09 2.38 0.07 0.00 0.02 0.00 0.00 54.13 56.68 2hg6 s LEU 15 Cb 0.11 -3.54 -0.03 0.00 0.02 0.00 0.00 46.19 42.75 2hg6 s LEU 15 CO 0.55 -0.94 -0.17 -1.59 0.02 0.00 0.00 176.35 174.22 2hg6 s LYS 16 N 3.79 2.14 0.00 1.70 -2.85 -1.13 -3.65 119.74 119.73 2hg6 s LYS 16 Ca 0.76 -0.94 0.00 0.00 -1.00 0.00 0.00 55.97 54.79 2hg6 s LYS 16 Cb -0.37 -2.22 0.00 0.00 -2.06 0.00 0.00 37.83 33.18 2hg6 s LYS 16 CO 0.32 0.55 0.00 0.41 0.10 0.00 0.00 175.35 176.74 2hg6 n GLY 17 N 1.62 -1.69 3.32 0.59 0.00 -1.26 -4.73 105.19 103.04 2hg6 n GLY 17 Ca -0.16 -2.15 -0.27 0.00 0.00 0.00 0.00 46.02 43.44 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 -0.31 2.06 -0.22 1.61 0.40 0.11 -0.84 117.98 120.79 2hg6 s PHE 18 Ca 0.00 -0.40 -0.07 0.00 -0.60 0.00 0.00 56.93 55.86 2hg6 s PHE 18 Cb 0.00 -1.16 -0.03 0.00 0.51 0.00 0.00 43.02 42.33 2hg6 s PHE 18 CO 0.00 0.21 0.07 0.08 0.70 0.00 0.00 175.22 176.28 2hg6 s VAL 19 N -0.98 4.53 -0.05 -0.44 1.01 0.11 -0.03 120.40 124.54 2hg6 s VAL 19 Ca 0.10 -0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.01 2hg6 s VAL 19 Cb -0.10 -3.09 -0.00 0.00 0.00 0.00 0.00 36.38 33.20 2hg6 s VAL 19 CO 0.04 0.38 -0.19 -0.83 0.00 0.00 0.00 175.10 174.50 2hg6 s GLY 20 N 1.12 1.02 -0.66 4.51 0.00 0.37 -1.54 107.32 112.13 2hg6 s GLY 20 Ca 0.04 -0.75 -0.27 0.00 0.00 0.00 0.00 44.72 43.74 2hg6 s GLY 20 CO 0.03 -0.35 1.22 -0.12 0.00 0.00 0.00 173.10 173.88 2hg6 s PHE 21 N 0.10 2.45 -0.46 1.90 5.36 -0.20 -0.20 117.98 126.92 2hg6 s PHE 21 Ca -0.07 0.14 -0.21 0.00 -0.96 0.00 0.00 56.93 55.83 2hg6 s PHE 21 Cb -0.13 -4.56 0.03 0.00 -0.34 0.00 0.00 43.02 38.02 2hg6 s PHE 21 CO 0.03 -1.83 0.70 1.21 -1.46 0.00 0.00 175.22 173.87 2hg6 s ASN 22 N 3.37 6.33 0.24 6.13 2.47 -0.06 -4.85 114.94 128.57 2hg6 s ASN 22 Ca 0.38 -0.36 0.21 0.00 0.42 0.00 0.00 52.86 53.51 2hg6 s ASN 22 Cb -0.08 -2.34 0.95 0.00 -1.45 0.00 0.00 41.25 38.33 2hg6 s ASN 22 CO 0.20 -0.87 1.63 -2.11 -3.72 0.00 0.00 177.10 172.23 2hg6 n ARG 23 N 6.48 0.15 0.06 0.43 1.85 -1.26 0.37 116.66 124.73 2hg6 n ARG 23 Ca -0.01 0.48 -0.13 0.00 -1.00 0.00 0.00 57.85 57.19 2hg6 n ARG 23 Cb 0.48 -1.85 -0.03 0.00 -1.05 0.00 0.00 32.46 30.01 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 0.42 0.00 2.89 3.64 -1.93 -3.26 116.57 118.33 2hg6 h LYS 24 Ca 0.00 -0.42 -0.08 0.00 -1.27 0.00 0.00 60.65 58.89 2hg6 h LYS 24 Cb 0.22 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2hg6 h LYS 24 CO 0.00 1.08 -2.04 0.25 -2.27 0.00 0.00 179.45 176.47 2hg6 n THR 25 N -3.77 0.28 -0.86 1.00 -2.24 -0.95 -4.99 114.28 102.75 2hg6 n THR 25 Ca -0.06 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 2hg6 n THR 25 Cb 0.80 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 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 1.42 0.48 3.15 3.38 0.00 0.16 -5.04 105.19 108.75 2hg6 n GLY 26 Ca -0.10 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.44 0.91 0.16 1.61 0.52 -1.05 -4.96 118.95 114.71 2hg6 s ARG 27 Ca 0.00 -1.41 -0.30 0.00 -0.52 0.00 0.00 55.73 53.50 2hg6 s ARG 27 Cb 0.00 0.25 -0.07 0.00 0.52 0.00 0.00 34.95 35.64 2hg6 s ARG 27 CO 0.00 -0.26 1.04 0.71 0.02 0.00 0.00 175.30 176.82 2hg6 s TYR 28 N -4.04 3.69 0.14 -0.53 2.02 -1.26 -0.88 117.35 116.49 2hg6 s TYR 28 Ca 0.23 1.69 0.04 0.00 -0.37 0.00 0.00 57.07 58.65 2hg6 s TYR 28 Cb 0.07 -3.18 -0.04 0.00 -0.40 0.00 0.00 41.96 38.41 2hg6 s TYR 28 CO 0.01 -0.27 -0.09 0.96 -1.57 0.00 0.00 175.55 174.59 2hg6 s ILE 29 N -0.22 1.06 0.09 2.71 -5.25 0.72 -4.92 121.20 115.39 2hg6 s ILE 29 Ca 0.48 -2.03 -0.27 0.00 -0.99 0.00 0.00 60.65 57.84 2hg6 s ILE 29 Cb -0.27 -1.81 -0.06 0.00 2.95 0.00 0.00 42.46 43.27 2hg6 s ILE 29 CO 0.33 -0.78 0.85 0.68 -1.79 0.00 0.00 174.94 174.23 2hg6 s VAL 30 N -3.40 4.59 -0.02 8.37 -7.23 -1.26 -0.48 120.40 120.96 2hg6 s VAL 30 Ca 0.16 1.82 0.00 0.00 -1.81 0.00 0.00 61.98 62.15 2hg6 s VAL 30 Cb 0.03 -4.20 0.02 0.00 0.56 0.00 0.00 36.38 32.79 2hg6 s VAL 30 CO -0.01 0.37 -0.00 -0.60 -0.31 0.00 0.00 175.10 174.54 2hg6 s ARG 31 N -0.17 0.25 -0.01 4.82 6.06 0.96 -4.91 118.95 125.95 2hg6 s ARG 31 Ca 0.42 0.04 0.05 0.00 -2.50 0.00 0.00 55.73 53.74 2hg6 s ARG 31 Cb -0.22 -0.39 0.14 0.00 0.06 0.00 0.00 34.95 34.54 2hg6 s ARG 31 CO 0.26 -0.09 1.11 1.19 -2.50 0.00 0.00 175.30 175.27 2hg6 n PHE 32 N 3.85 0.20 -4.06 5.12 3.72 -1.26 0.10 117.46 125.12 2hg6 n PHE 32 Ca -0.24 -0.52 -0.33 0.00 -0.05 0.00 0.00 57.45 56.31 2hg6 n PHE 32 Cb 0.52 -0.05 -0.15 0.00 -0.94 0.00 0.00 39.48 38.86 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 -1.07 3.75 0.38 4.37 0.01 -1.26 -4.96 113.70 114.92 2hg6 s SER 33 Ca 0.11 -0.86 0.17 0.00 1.31 0.00 0.00 55.95 56.68 2hg6 s SER 33 Cb 0.06 -1.55 0.75 0.00 0.21 0.00 0.00 66.02 65.49 2hg6 s SER 33 CO 0.06 -0.07 1.79 -0.33 0.41 0.00 0.00 173.24 175.10 2hg6 h GLU 34 N 7.93 0.00 -0.66 12.44 5.08 -2.01 -2.64 114.58 134.71 2hg6 h GLU 34 Ca -0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 2hg6 h GLU 34 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2hg6 h GLU 34 CO 0.58 0.37 0.00 -0.40 -1.00 0.00 0.00 179.01 178.57 2hg6 n ASP 35 N -3.76 4.49 0.29 1.42 5.75 -1.26 -4.68 116.55 118.80 2hg6 n ASP 35 Ca -0.01 -2.32 -0.17 0.00 -0.01 0.00 0.00 54.79 52.28 2hg6 n ASP 35 Cb 0.46 -0.54 -0.09 0.00 -1.03 0.00 0.00 41.12 39.91 2hg6 n ASP 35 CO 0.00 0.00 0.00 -1.28 -0.11 0.00 0.00 177.20 175.81 2hg6 h SER 36 N 4.07 -1.21 -3.25 -1.12 0.87 -1.89 -3.42 113.55 107.60 2hg6 h SER 36 Ca 0.00 0.10 -0.57 0.00 -1.23 0.00 0.00 61.79 60.08 2hg6 h SER 36 Cb 1.30 0.40 -0.05 0.00 -0.44 0.00 0.00 62.40 63.61 2hg6 h SER 36 CO 0.16 -0.62 -0.04 -0.36 -0.53 0.00 0.00 176.83 175.44 2hg6 s PHE 37 N -5.93 3.77 0.00 2.24 0.08 -1.26 -5.04 117.98 111.83 2hg6 s PHE 37 Ca -0.18 1.24 0.00 0.00 0.12 0.00 0.00 56.93 58.11 2hg6 s PHE 37 Cb 0.05 -2.52 0.00 0.00 -0.57 0.00 0.00 43.02 39.98 2hg6 s PHE 37 CO 0.62 0.52 0.00 0.41 -0.10 0.00 0.00 175.22 176.67 2hg6 n GLY 38 N 1.94 1.42 0.00 4.36 0.00 -1.26 -4.96 105.19 106.69 2hg6 n GLY 38 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.57 -0.08 1.61 0.00 -1.26 -4.76 117.12 113.20 2hg6 n MET 39 Ca 0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 57.70 57.47 2hg6 n MET 39 Cb 0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 33.22 32.66 2hg6 n MET 39 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 175.97 176.19 2hg6 h ASP 40 N 0.00 0.42 -3.27 3.17 3.58 -2.01 -3.42 116.42 114.88 2hg6 h ASP 40 Ca 0.00 -0.28 -0.66 0.00 0.42 0.00 0.00 57.03 56.51 2hg6 h ASP 40 Cb 0.22 -0.11 -0.16 0.00 1.72 0.00 0.00 39.33 40.99 2hg6 h ASP 40 CO 0.00 0.60 -0.61 -0.69 -2.88 0.00 0.00 179.24 175.65 2hg6 s VAL 41 N -5.09 4.39 0.37 2.25 1.01 -1.26 -4.98 120.40 117.09 2hg6 s VAL 41 Ca -0.14 -0.20 -0.27 0.00 0.00 0.00 0.00 61.98 61.37 2hg6 s VAL 41 Cb 0.08 -2.89 -0.09 0.00 0.00 0.00 0.00 36.38 33.47 2hg6 s VAL 41 CO 0.74 0.56 1.27 0.00 0.00 0.00 0.00 175.10 177.66 2hg6 s ALA 42 N -0.41 3.32 -0.17 5.51 0.00 -1.26 -4.64 121.76 124.11 2hg6 s ALA 42 Ca 0.08 1.17 0.29 0.00 0.00 0.00 0.00 51.96 53.50 2hg6 s ALA 42 Cb -0.12 -3.45 1.02 0.00 0.00 0.00 0.00 23.12 20.57 2hg6 s ALA 42 CO 0.02 -0.67 1.84 0.38 0.00 0.00 0.00 175.76 177.33 2hg6 h ASP 43 N 2.96 0.00 0.68 0.00 3.04 -1.94 -2.15 116.42 119.00 2hg6 h ASP 43 Ca -0.49 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.30 2hg6 h ASP 43 Cb 1.24 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.53 2hg6 h ASP 43 CO 0.64 0.00 0.00 0.44 -2.04 0.00 0.00 179.24 178.28 2hg6 h ASP 44 N 0.00 0.00 -0.07 4.15 5.19 -2.01 -1.30 116.42 122.39 2hg6 h ASP 44 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2hg6 h ASP 44 Cb 0.63 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.14 2hg6 h ASP 44 CO 0.00 0.00 0.00 -1.20 -3.12 0.00 0.00 179.24 174.92 2hg6 n SER 45 N -2.46 1.81 -4.57 6.45 7.64 -0.81 -4.77 113.62 116.91 2hg6 n SER 45 Ca 0.01 -1.63 -0.39 0.00 1.01 0.00 0.00 58.87 57.87 2hg6 n SER 45 Cb 0.22 -0.03 -0.11 0.00 -1.01 0.00 0.00 64.21 63.27 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 -1.93 5.29 -0.05 0.44 1.01 -0.49 -1.04 121.20 124.44 2hg6 s ILE 46 Ca 0.36 0.05 -0.01 0.00 0.00 0.00 0.00 60.65 61.05 2hg6 s ILE 46 Cb 0.20 -3.60 0.03 0.00 0.01 0.00 0.00 42.46 39.10 2hg6 s ILE 46 CO 0.31 0.15 0.01 -0.89 0.00 0.00 0.00 174.94 174.53 2hg6 s THR 47 N 1.76 0.19 0.18 2.92 2.01 -0.59 -5.00 115.64 117.13 2hg6 s THR 47 Ca 0.07 0.16 -0.33 0.00 0.31 0.00 0.00 61.69 61.90 2hg6 s THR 47 Cb -0.16 -0.34 -0.14 0.00 0.01 0.00 0.00 72.50 71.86 2hg6 s THR 47 CO 0.11 0.19 1.38 -2.65 -0.69 0.00 0.00 174.62 172.96 2hg6 n PRO 48 N 4.70 1.73 0.26 4.92 -0.02 -1.26 0.08 135.00 145.41 2hg6 n PRO 48 Ca -0.15 0.62 0.12 0.00 -2.02 0.00 0.00 63.50 62.07 2hg6 n PRO 48 Cb 0.50 -2.26 0.69 0.00 -0.02 0.00 0.00 33.50 32.41 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 3.12 0.60 -0.01 3.45 1.03 -1.27 0.46 112.91 120.29 2hg6 h THR 49 Ca -0.45 -0.59 -0.12 0.00 -0.01 0.00 0.00 66.41 65.24 2hg6 h THR 49 Cb 1.30 1.38 -0.02 0.00 -1.07 0.00 0.00 68.15 69.74 2hg6 h THR 49 CO 0.78 0.13 -0.54 -1.28 -0.01 0.00 0.00 175.52 174.60 2hg6 h SER 50 N 0.00 0.04 0.40 0.00 0.87 -1.78 -3.15 113.55 109.94 2hg6 h SER 50 Ca -0.00 -0.02 -0.31 0.00 -1.23 0.00 0.00 61.79 60.23 2hg6 h SER 50 Cb 0.37 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.27 2hg6 h SER 50 CO 0.02 0.57 -1.79 1.21 -0.53 0.00 0.00 176.83 176.31 2hg6 n GLU 51 N -3.90 0.66 0.18 2.24 4.07 -0.13 -4.21 120.64 119.55 2hg6 n GLU 51 Ca -0.01 0.28 0.12 0.00 -0.06 0.00 0.00 57.16 57.49 2hg6 n GLU 51 Cb 0.55 -1.77 0.66 0.00 -0.06 0.00 0.00 31.44 30.83 2hg6 n GLU 51 CO 0.00 0.00 0.00 0.35 -0.06 0.00 0.00 177.13 177.42 2hg6 h PHE 52 N 0.02 0.00 0.00 4.31 3.57 -0.13 -0.45 116.94 124.25 2hg6 h PHE 52 Ca -0.32 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.17 2hg6 h PHE 52 Cb 2.03 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.76 2hg6 h PHE 52 CO 0.02 0.00 -0.03 -0.39 -2.23 0.00 0.00 178.31 175.68 2hg6 h VAL 53 N 0.00 0.06 -3.04 1.41 -1.51 -1.72 -3.44 116.25 108.00 2hg6 h VAL 53 Ca 0.08 -0.97 -0.65 0.00 -1.23 0.00 0.00 66.70 63.93 2hg6 h VAL 53 Cb 0.32 1.92 -0.12 0.00 -2.13 0.00 0.00 31.29 31.28 2hg6 h VAL 53 CO -0.00 0.03 -0.54 0.26 -1.23 0.00 0.00 177.57 176.09 2hg6 s TRP 54 N -3.30 3.38 -0.34 5.19 0.52 -0.18 -0.13 118.94 124.08 2hg6 s TRP 54 Ca 0.06 0.31 -0.02 0.00 0.02 0.00 0.00 56.10 56.47 2hg6 s TRP 54 Cb 0.06 -1.95 0.07 0.00 -1.15 0.00 0.00 33.47 30.50 2hg6 s TRP 54 CO 0.65 0.48 0.07 -1.12 0.02 0.00 0.00 176.95 177.05 2hg6 s SER 55 N -0.53 5.00 -0.23 2.95 0.01 0.67 -4.85 113.70 116.71 2hg6 s SER 55 Ca 0.11 -1.59 -0.29 0.00 1.31 0.00 0.00 55.95 55.49 2hg6 s SER 55 Cb -0.12 -1.74 -0.02 0.00 0.21 0.00 0.00 66.02 64.35 2hg6 s SER 55 CO 0.02 -0.36 1.53 -0.55 0.41 0.00 0.00 173.24 174.29 2hg6 s SER 56 N 1.41 6.48 0.00 2.44 0.15 -1.26 -1.24 113.70 121.67 2hg6 s SER 56 Ca 0.01 1.54 0.00 0.00 0.70 0.00 0.00 55.95 58.19 2hg6 s SER 56 Cb -0.21 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 2hg6 s SER 56 CO -0.03 -1.19 0.00 1.33 1.20 0.00 0.00 173.24 174.56 2hg6 n VAL 57 N 6.30 0.00 -3.69 4.45 0.24 -1.09 -5.00 118.33 119.54 2hg6 n VAL 57 Ca 0.18 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.35 2hg6 n VAL 57 Cb 0.45 -0.83 -0.13 0.00 -1.47 0.00 0.00 33.84 31.86 2hg6 n VAL 57 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2hg6 s ARG 58 N -1.84 0.20 2.67 7.34 3.52 -1.19 -5.04 118.95 124.61 2hg6 s ARG 58 Ca 0.00 0.70 0.00 0.00 -0.13 0.00 0.00 55.73 56.30 2hg6 s ARG 58 Cb 0.00 -0.04 0.00 0.00 -1.56 0.00 0.00 34.95 33.35 2hg6 s ARG 58 CO 0.00 -0.23 0.00 -0.25 -0.81 0.00 0.00 175.30 174.01 2hg6 n ASP 59 N 4.87 0.00 -0.33 -2.12 8.00 -1.26 0.59 116.55 126.30 2hg6 n ASP 59 Ca -0.14 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.42 2hg6 n ASP 59 Cb 0.51 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.71 2hg6 n ASP 59 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2hg6 n ASP 60 N 6.68 1.47 -4.52 -2.24 8.00 -1.26 -5.02 116.55 119.66 2hg6 n ASP 60 Ca 0.00 -2.75 -0.38 0.00 0.71 0.00 0.00 54.79 52.36 2hg6 n ASP 60 Cb 0.00 -0.36 -0.11 0.00 -0.02 0.00 0.00 41.12 40.63 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 -1.84 4.97 -0.18 2.53 1.01 0.20 0.13 120.40 127.22 2hg6 s VAL 61 Ca 0.22 -0.09 -0.06 0.00 0.00 0.00 0.00 61.98 62.05 2hg6 s VAL 61 Cb 0.20 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 2hg6 s VAL 61 CO 0.00 0.18 0.02 -0.04 0.00 0.00 0.00 175.10 175.25 2hg6 s MET 62 N 1.70 3.78 0.02 2.72 -1.94 -0.19 -2.67 119.30 122.71 2hg6 s MET 62 Ca 0.06 -0.45 -0.02 0.00 -1.71 0.00 0.00 55.69 53.58 2hg6 s MET 62 Cb -0.16 -3.09 -0.04 0.00 2.01 0.00 0.00 34.83 33.54 2hg6 s MET 62 CO 0.09 0.18 0.19 -0.98 -0.01 0.00 0.00 175.02 174.48 2hg6 s ARG 63 N 0.59 3.43 -0.26 2.03 1.70 -0.37 -0.78 118.95 125.28 2hg6 s ARG 63 Ca 0.00 -0.37 -0.29 0.00 -0.47 0.00 0.00 55.73 54.60 2hg6 s ARG 63 Cb -0.14 -3.07 -0.02 0.00 -0.57 0.00 0.00 34.95 31.16 2hg6 s ARG 63 CO 0.02 0.65 1.61 -1.17 -1.08 0.00 0.00 175.30 175.32 2hg6 s LEU 64 N -2.17 3.80 -0.83 -1.89 1.98 0.13 -0.24 118.68 119.46 2hg6 s LEU 64 Ca 0.30 1.47 -0.25 0.00 -2.89 0.00 0.00 54.13 52.76 2hg6 s LEU 64 Cb -0.13 -3.53 0.01 0.00 0.66 0.00 0.00 46.19 43.20 2hg6 s LEU 64 CO 0.22 -1.34 1.58 -0.83 -1.89 0.00 0.00 176.35 174.10 2hg6 s GLY 65 N 4.41 0.71 0.39 7.98 0.00 0.81 -4.65 107.32 116.97 2hg6 s GLY 65 Ca 0.71 -1.52 0.21 0.00 0.00 0.00 0.00 44.72 44.11 2hg6 s GLY 65 CO 0.30 2.99 1.60 0.07 0.00 0.00 0.00 173.10 178.06 2hg6 h ARG 66 N 11.21 0.00 0.00 2.90 -0.00 -1.91 0.30 114.38 126.87 2hg6 h ARG 66 Ca -0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.90 2hg6 h ARG 66 Cb 1.05 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.02 2hg6 h ARG 66 CO 1.30 0.00 -0.13 1.05 -0.00 0.00 0.00 179.97 182.19 2hg6 h GLU 67 N 0.00 0.00 -0.87 0.08 4.11 -1.95 -2.95 114.58 113.00 2hg6 h GLU 67 Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.45 2hg6 h GLU 67 Cb 0.30 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.51 2hg6 h GLU 67 CO 0.00 0.13 0.57 -0.56 0.07 0.00 0.00 179.01 179.22 2hg6 h GLN 68 N 0.00 1.09 -0.05 1.06 -0.00 -0.73 -1.29 115.11 115.18 2hg6 h GLN 68 Ca -0.00 -0.07 -0.17 0.00 -0.00 0.00 0.00 58.65 58.41 2hg6 h GLN 68 Cb 0.39 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.48 27.62 2hg6 h GLN 68 CO 0.02 0.72 -0.72 -0.07 -0.00 0.00 0.00 178.83 178.78 2hg6 h LEU 69 N 1.12 0.31 -0.93 0.06 4.07 -1.71 0.78 115.31 119.01 2hg6 h LEU 69 Ca 0.33 -0.21 -0.10 0.00 0.08 0.00 0.00 57.88 57.98 2hg6 h LEU 69 Cb -0.04 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.59 2hg6 h LEU 69 CO -0.09 0.93 -0.31 1.56 -1.08 0.00 0.00 178.44 179.45 2hg6 h GLN 70 N 0.18 0.41 -0.01 1.13 1.08 -1.44 -1.67 115.11 114.78 2hg6 h GLN 70 Ca -0.02 -0.17 -0.08 0.00 -1.45 0.00 0.00 58.65 56.93 2hg6 h GLN 70 Cb 1.28 -0.02 0.01 0.00 -0.05 0.00 0.00 27.48 28.70 2hg6 h GLN 70 CO 0.11 0.68 -0.32 0.82 -0.95 0.00 0.00 178.83 179.17 2hg6 h ILE 71 N 0.35 1.51 0.00 2.54 2.04 -1.03 -3.34 117.51 119.58 2hg6 h ILE 71 Ca 0.05 -1.93 -0.04 0.00 1.00 0.00 0.00 64.86 63.94 2hg6 h ILE 71 Cb 0.72 2.67 -0.01 0.00 -0.74 0.00 0.00 36.82 39.46 2hg6 h ILE 71 CO 0.06 0.54 -0.20 -0.07 0.00 0.00 0.00 178.15 178.47 2hg6 h LEU 72 N -0.38 0.00 -2.18 1.44 3.38 -0.73 -2.68 115.31 114.15 2hg6 h LEU 72 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2hg6 h LEU 72 Cb 1.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 2hg6 h LEU 72 CO 0.06 0.20 -0.07 0.17 0.09 0.00 0.00 178.44 178.90 2hg6 h LEU 73 N 0.00 0.00 -0.70 1.67 8.10 -1.43 0.18 115.31 123.14 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 0.55 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.77 2hg6 h LEU 73 CO 0.03 0.07 0.00 -0.33 -4.11 0.00 0.00 178.44 174.09 2hg6 h GLU 74 N 0.00 0.00 -3.75 0.17 5.08 -1.67 -3.34 114.58 111.07 2hg6 h GLU 74 Ca -0.00 0.00 -0.79 0.00 -1.00 0.00 0.00 59.36 57.57 2hg6 h GLU 74 Cb 0.20 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 29.18 2hg6 h GLU 74 CO 0.01 0.00 0.16 -0.65 -1.00 0.00 0.00 179.01 177.53 2hg6 s GLN 75 N -3.41 3.70 0.00 2.33 -1.52 0.63 -4.90 119.66 116.49 2hg6 s GLN 75 Ca 0.05 -2.66 0.15 0.00 -1.95 0.00 0.00 55.36 50.95 2hg6 s GLN 75 Cb 0.08 -4.42 0.70 0.00 -0.22 0.00 0.00 33.01 29.15 2hg6 s GLN 75 CO 0.58 -1.27 1.46 0.09 -0.25 0.00 0.00 175.29 175.90 2hg6 n ASN 76 N 3.62 0.00 -3.63 5.90 4.13 -1.26 -4.24 115.26 119.78 2hg6 n ASN 76 Ca 0.16 0.32 -0.41 0.00 1.68 0.00 0.00 54.58 56.33 2hg6 n ASN 76 Cb 0.45 -0.41 -0.01 0.00 -1.54 0.00 0.00 39.78 38.27 2hg6 n ASN 76 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 2hg6 n ILE 77 N -1.41 3.62 0.23 2.41 -6.64 -1.26 -4.56 119.36 111.74 2hg6 n ILE 77 Ca 0.05 -2.88 0.08 0.00 -1.77 0.00 0.00 62.75 58.23 2hg6 n ILE 77 Cb 0.15 -2.60 0.56 0.00 -1.44 0.00 0.00 39.64 36.31 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 5.80 0.00 -0.30 7.28 2.35 -1.96 -1.02 115.58 127.73 2hg6 h ASN 78 Ca 0.64 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.39 2hg6 h ASN 78 Cb 0.55 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.91 2hg6 h ASN 78 CO 1.87 0.19 0.19 -0.08 -1.65 0.00 0.00 177.43 177.94 2hg6 h GLU 79 N 0.00 0.42 0.00 0.81 4.57 -1.96 0.50 114.58 118.92 2hg6 h GLU 79 Ca -0.00 -0.03 -0.10 0.00 -1.18 0.00 0.00 59.36 58.04 2hg6 h GLU 79 Cb 0.39 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 2hg6 h GLU 79 CO 0.03 0.30 -0.72 -0.09 -1.18 0.00 0.00 179.01 177.35 2hg6 h ARG 80 N 0.43 0.00 0.00 1.92 2.43 -1.58 -3.37 114.38 114.21 2hg6 h ARG 80 Ca 0.11 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2hg6 h ARG 80 Cb -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 2hg6 h ARG 80 CO -0.02 0.60 0.00 1.25 -1.51 0.00 0.00 179.97 180.29 2hg6 h LEU 81 N -1.00 0.00 -2.36 3.80 5.85 -1.48 -3.49 115.31 116.63 2hg6 h LEU 81 Ca -0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.56 2hg6 h LEU 81 Cb 0.88 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.91 2hg6 h LEU 81 CO -0.10 0.00 -0.62 -3.20 -0.34 0.00 0.00 178.44 174.19 2hg6 n ASN 82 N -3.08 -6.87 -4.76 1.25 5.15 0.16 -2.85 115.26 104.26 2hg6 n ASN 82 Ca 0.04 0.82 -0.37 0.00 -0.60 0.00 0.00 54.58 54.47 2hg6 n ASN 82 Cb 0.51 -4.55 -0.06 0.00 -0.53 0.00 0.00 39.78 35.14 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 -1.79 5.22 0.57 -1.44 1.09 -1.17 -3.85 121.20 119.83 2hg6 s ILE 83 Ca 0.10 0.72 -0.20 0.00 -1.10 0.00 0.00 60.65 60.16 2hg6 s ILE 83 Cb -0.03 -3.69 -0.05 0.00 -1.06 0.00 0.00 42.46 37.63 2hg6 s ILE 83 CO 0.63 0.42 1.09 0.61 -0.10 0.00 0.00 174.94 177.59 2hg6 n GLY 84 N 2.94 0.02 0.20 6.18 0.00 -1.26 -4.84 105.19 108.43 2hg6 n GLY 84 Ca -0.11 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 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 0.86 -0.32 0.00 1.61 3.07 -1.97 -0.97 114.58 116.86 2hg6 h GLU 85 Ca -0.49 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 2hg6 h GLU 85 Cb 1.34 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.33 2hg6 h GLU 85 CO 0.53 -0.21 0.00 -1.00 -1.40 0.00 0.00 179.01 176.93 2hg6 h PRO 86 N -0.33 0.00 -0.30 2.33 0.13 -1.92 -0.76 132.00 131.15 2hg6 h PRO 86 Ca 0.01 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.00 2hg6 h PRO 86 Cb 0.33 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.45 2hg6 h PRO 86 CO -0.05 0.00 -0.36 -0.07 -0.23 0.00 0.00 178.00 177.28 2hg6 h LEU 87 N 0.00 0.84 -1.43 1.56 -0.00 -1.47 -1.42 115.31 113.38 2hg6 h LEU 87 Ca 0.00 -0.49 -0.05 0.00 -0.00 0.00 0.00 57.88 57.34 2hg6 h LEU 87 Cb 0.10 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 40.51 2hg6 h LEU 87 CO 0.00 1.16 -0.19 -0.07 -0.00 0.00 0.00 178.44 179.35 2hg6 h LEU 88 N 0.54 0.13 -1.34 1.67 4.07 -0.73 -1.23 115.31 118.42 2hg6 h LEU 88 Ca 0.04 -0.03 -0.03 0.00 0.08 0.00 0.00 57.88 57.94 2hg6 h LEU 88 Cb 0.95 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.64 2hg6 h LEU 88 CO 0.09 0.33 0.08 0.58 -1.08 0.00 0.00 178.44 178.44 2hg6 h VAL 89 N 0.13 1.17 -0.50 1.22 2.07 -0.98 -1.53 116.25 117.83 2hg6 h VAL 89 Ca 0.02 -0.61 -0.06 0.00 0.82 0.00 0.00 66.70 66.88 2hg6 h VAL 89 Cb 0.41 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2hg6 h VAL 89 CO 0.03 0.22 0.08 0.22 0.02 0.00 0.00 177.57 178.14 2hg6 h TYR 90 N 0.52 0.82 0.00 1.57 5.03 -0.14 -1.84 116.97 122.94 2hg6 h TYR 90 Ca 0.12 -0.09 -0.02 0.00 2.58 0.00 0.00 58.73 61.32 2hg6 h TYR 90 Cb 0.21 -0.24 -0.00 0.00 1.55 0.00 0.00 36.73 38.25 2hg6 h TYR 90 CO 0.01 0.72 -0.11 -0.07 -1.32 0.00 0.00 178.16 177.39 2hg6 h LEU 91 N 0.75 0.00 0.22 2.82 -0.00 -0.97 -2.87 115.31 115.27 2hg6 h LEU 91 Ca 0.16 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.03 2hg6 h LEU 91 Cb 0.34 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.00 2hg6 h LEU 91 CO 0.01 0.11 -0.12 0.03 -0.00 0.00 0.00 178.44 178.46 2hg6 h ARG 92 N 0.00 -0.31 -1.74 1.13 2.47 -0.81 -3.45 114.38 111.67 2hg6 h ARG 92 Ca -0.00 0.02 0.09 0.00 -1.26 0.00 0.00 59.98 58.83 2hg6 h ARG 92 Cb 0.35 0.07 -0.22 0.00 -1.65 0.00 0.00 29.97 28.52 2hg6 h ARG 92 CO 0.01 -0.21 0.04 0.50 0.56 0.00 0.00 179.97 180.88 2hg6 s ARG 93 N -6.14 0.53 -1.31 0.04 6.06 -1.08 -5.06 118.95 111.98 2hg6 s ARG 93 Ca -0.15 1.16 -0.16 0.00 -2.50 0.00 0.00 55.73 54.08 2hg6 s ARG 93 Cb 0.05 0.51 0.01 0.00 0.06 0.00 0.00 34.95 35.59 2hg6 s ARG 93 CO 0.65 -0.15 2.08 0.00 -2.50 0.00 0.00 175.30 175.38 2hg6 n GLN 94 N 4.87 2.65 -0.06 5.12 10.64 -1.23 -4.68 117.38 134.68 2hg6 n GLN 94 Ca -0.14 -2.60 -0.12 0.00 -1.83 0.00 0.00 57.00 52.32 2hg6 n GLN 94 Cb 0.53 -3.29 -0.05 0.00 -0.86 0.00 0.00 30.24 26.57 2hg6 n GLN 94 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.06 175.45 2hg6 h ASP 95 N 6.73 0.33 -3.15 2.61 3.58 -1.96 -3.38 116.42 121.19 2hg6 h ASP 95 Ca 0.51 -0.31 -0.72 0.00 0.42 0.00 0.00 57.03 56.93 2hg6 h ASP 95 Cb 0.70 -0.09 -0.21 0.00 1.72 0.00 0.00 39.33 41.45 2hg6 h ASP 95 CO 1.80 0.56 -0.09 -0.22 -2.88 0.00 0.00 179.24 178.41 2hg6 s LEU 96 N -9.50 5.48 0.43 2.28 2.96 -1.26 -4.92 118.68 114.14 2hg6 s LEU 96 Ca -0.14 -1.31 0.23 0.00 -0.22 0.00 0.00 54.13 52.69 2hg6 s LEU 96 Cb 0.06 -2.29 0.84 0.00 0.50 0.00 0.00 46.19 45.30 2hg6 s LEU 96 CO 0.73 -0.87 1.79 -0.65 -1.32 0.00 0.00 176.35 176.03 2hg6 h PRO 97 N 8.95 0.00 -3.44 0.98 0.11 -1.99 -3.39 132.00 133.22 2hg6 h PRO 97 Ca -0.29 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.21 2hg6 h PRO 97 Cb 1.10 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.81 2hg6 h PRO 97 CO 0.99 0.25 -0.73 -1.21 -0.21 0.00 0.00 178.00 177.08 2hg6 s GLU 98 N -3.60 1.16 -0.26 1.05 2.02 -1.26 -4.94 118.70 112.87 2hg6 s GLU 98 Ca 0.01 -1.71 -0.16 0.00 0.02 0.00 0.00 54.97 53.13 2hg6 s GLU 98 Cb 0.10 -2.40 -0.03 0.00 0.10 0.00 0.00 34.13 31.90 2hg6 s GLU 98 CO 0.65 -1.07 0.43 0.42 0.02 0.00 0.00 175.26 175.71 2hg6 s ILE 99 N 0.82 5.13 -0.08 -1.63 1.01 -1.26 -5.04 121.20 120.14 2hg6 s ILE 99 Ca 0.14 0.71 -0.01 0.00 0.00 0.00 0.00 60.65 61.49 2hg6 s ILE 99 Cb -0.21 -3.76 0.03 0.00 0.01 0.00 0.00 42.46 38.53 2hg6 s ILE 99 CO -0.09 0.13 -0.03 -0.89 0.00 0.00 0.00 174.94 174.06 2hg6 s THR 100 N 2.12 0.61 -0.10 2.92 2.01 -1.26 0.18 115.64 122.11 2hg6 s THR 100 Ca 0.18 -0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.15 2hg6 s THR 100 Cb -0.16 -0.71 0.02 0.00 0.01 0.00 0.00 72.50 71.67 2hg6 s THR 100 CO 0.09 0.29 -0.12 0.00 -0.69 0.00 0.00 174.62 174.20 2hg6 s ALA 101 N 1.78 1.44 0.30 7.40 0.00 0.04 -4.96 121.76 127.75 2hg6 s ALA 101 Ca 0.03 -0.58 -0.15 0.00 0.00 0.00 0.00 51.96 51.27 2hg6 s ALA 101 Cb -0.13 -0.79 -0.09 0.00 0.00 0.00 0.00 23.12 22.12 2hg6 s ALA 101 CO -0.06 -0.15 0.71 1.14 0.00 0.00 0.00 175.76 177.40 2hg6 s GLN 102 N 1.17 4.01 -0.23 0.00 -2.07 -1.26 -1.02 119.66 120.25 2hg6 s GLN 102 Ca -0.04 0.65 -0.21 0.00 -1.82 0.00 0.00 55.36 53.93 2hg6 s GLN 102 Cb -0.14 -2.52 -0.02 0.00 -1.09 0.00 0.00 33.01 29.24 2hg6 s GLN 102 CO -0.03 0.21 0.65 -0.98 -1.32 0.00 0.00 175.29 173.82 2hg6 s ARG 103 N -2.81 4.16 -1.03 9.60 1.70 0.12 -4.90 118.95 125.78 2hg6 s ARG 103 Ca 0.52 0.61 -0.11 0.00 -0.47 0.00 0.00 55.73 56.28 2hg6 s ARG 103 Cb -0.11 -3.62 0.26 0.00 -0.57 0.00 0.00 34.95 30.91 2hg6 s ARG 103 CO 0.18 -0.35 1.02 1.14 -1.08 0.00 0.00 175.30 176.21 2hg6 s GLN 104 N 2.28 4.03 -0.12 3.89 -2.07 -1.26 -4.78 119.66 121.63 2hg6 s GLN 104 Ca 0.28 -2.99 0.06 0.00 -1.82 0.00 0.00 55.36 50.89 2hg6 s GLN 104 Cb -0.16 -4.53 0.39 0.00 -1.09 0.00 0.00 33.01 27.63 2hg6 s GLN 104 CO 0.09 -1.26 1.13 1.47 -1.32 0.00 0.00 175.29 175.39 2hg6 n LEU 105 N 3.11 3.39 -0.37 2.60 -0.00 -1.26 -5.29 117.00 119.17 2hg6 n LEU 105 Ca 0.21 -1.73 0.14 0.00 -0.00 0.00 0.00 56.01 54.64 2hg6 n LEU 105 Cb 0.42 -0.60 0.62 0.00 -0.00 0.00 0.00 43.42 43.86 2hg6 n LEU 105 CO 0.43 0.46 0.92 0.54 -0.00 0.00 0.00 177.39 179.74