#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 5.69 0.23 3.17 0.01 -1.26 -4.92 113.70 116.62 2hg6 s SER 2 Ca 0.00 0.06 -0.30 0.00 1.31 0.00 0.00 55.95 57.02 2hg6 s SER 2 Cb 0.00 -1.22 -0.09 0.00 0.21 0.00 0.00 66.02 64.92 2hg6 s SER 2 CO 0.00 -0.78 1.24 -0.63 0.41 0.00 0.00 173.24 173.48 2hg6 s ILE 3 N -2.53 3.25 0.74 1.44 -1.09 -1.26 -4.93 121.20 116.83 2hg6 s ILE 3 Ca 0.51 1.11 0.01 0.00 -2.23 0.00 0.00 60.65 60.05 2hg6 s ILE 3 Cb -0.10 -3.71 0.14 0.00 -1.58 0.00 0.00 42.46 37.21 2hg6 s ILE 3 CO 0.36 0.21 1.01 0.35 -1.23 0.00 0.00 174.94 175.64 2hg6 n THR 4 N 2.00 0.00 -1.21 2.92 -2.24 -1.26 -5.04 114.28 109.45 2hg6 n THR 4 Ca 0.03 -1.65 -0.02 0.00 -2.27 0.00 0.00 64.05 60.14 2hg6 n THR 4 Cb 0.43 -0.85 0.01 0.00 -2.10 0.00 0.00 70.33 67.83 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 -2.85 0.02 0.15 3.42 7.64 -1.26 -4.68 113.62 116.05 2hg6 n SER 5 Ca 0.17 -1.03 0.19 0.00 1.01 0.00 0.00 58.87 59.20 2hg6 n SER 5 Cb 0.61 -0.06 0.71 0.00 -1.01 0.00 0.00 64.21 64.46 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 -0.97 0.21 -0.02 0.44 2.02 -2.01 0.39 112.91 112.98 2hg6 h THR 6 Ca -0.03 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.16 2hg6 h THR 6 Cb 0.07 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.06 2hg6 h THR 6 CO 0.02 0.00 0.39 0.44 0.37 0.00 0.00 175.52 176.73 2hg6 h ASP 7 N 0.00 0.00 -0.80 4.18 3.32 -2.02 0.43 116.42 121.53 2hg6 h ASP 7 Ca 0.15 0.00 0.18 0.00 0.02 0.00 0.00 57.03 57.38 2hg6 h ASP 7 Cb 1.14 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.63 2hg6 h ASP 7 CO -0.00 0.00 0.54 -0.29 -1.72 0.00 0.00 179.24 177.77 2hg6 h ILE 8 N 0.00 0.73 -0.53 0.35 2.10 -1.23 -0.03 117.51 118.89 2hg6 h ILE 8 Ca 0.01 -0.12 -0.09 0.00 1.08 0.00 0.00 64.86 65.74 2hg6 h ILE 8 Cb 0.78 0.35 -0.02 0.00 -1.09 0.00 0.00 36.82 36.83 2hg6 h ILE 8 CO -0.00 0.06 -0.01 0.00 -1.08 0.00 0.00 178.15 177.12 2hg6 h GLN 10 N 0.84 0.27 0.00 0.00 1.08 -1.19 -2.99 115.11 113.12 2hg6 h GLN 10 Ca 0.16 -0.23 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 2hg6 h GLN 10 Cb 0.52 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 2hg6 h GLN 10 CO 0.03 0.90 0.00 0.00 -0.95 0.00 0.00 178.83 178.81 2hg6 h ALA 11 N 1.03 1.00 0.00 3.87 0.00 -1.15 -0.39 119.26 123.61 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 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2hg6 h ALA 11 CO 0.12 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.37 2hg6 h ALA 12 N 2.06 1.00 0.00 0.00 0.00 -1.55 -2.55 119.26 118.22 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 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2hg6 h ALA 12 CO 0.00 0.00 -0.42 0.22 0.00 0.00 0.00 179.25 179.05 2hg6 h ASP 13 N 0.00 0.00 0.34 0.00 3.58 -1.26 -3.32 116.42 115.77 2hg6 h ASP 13 Ca 0.00 -0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.39 2hg6 h ASP 13 Cb 0.50 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 2hg6 h ASP 13 CO 0.00 0.00 -0.25 0.00 -2.88 0.00 0.00 179.24 176.11 2hg6 h ALA 14 N 2.02 1.44 -2.60 -0.78 0.00 -1.56 -3.43 119.26 114.35 2hg6 h ALA 14 Ca 0.00 -0.23 -0.52 0.00 0.00 0.00 0.00 54.91 54.16 2hg6 h ALA 14 Cb 0.99 -0.04 0.05 0.00 0.00 0.00 0.00 17.79 18.79 2hg6 h ALA 14 CO 0.00 0.31 0.98 -0.51 0.00 0.00 0.00 179.25 180.03 2hg6 s LEU 15 N -8.04 4.37 0.05 0.00 1.02 -1.18 -4.71 118.68 110.19 2hg6 s LEU 15 Ca -0.03 2.73 0.04 0.00 0.02 0.00 0.00 54.13 56.89 2hg6 s LEU 15 Cb 0.14 -3.59 -0.02 0.00 0.02 0.00 0.00 46.19 42.74 2hg6 s LEU 15 CO 0.68 -0.92 -0.12 -1.59 0.02 0.00 0.00 176.35 174.42 2hg6 s LYS 16 N 1.57 0.74 0.00 1.70 -2.85 0.49 -3.82 119.74 117.57 2hg6 s LYS 16 Ca 0.74 -0.78 0.00 0.00 -1.00 0.00 0.00 55.97 54.93 2hg6 s LYS 16 Cb -0.46 -0.68 0.00 0.00 -2.06 0.00 0.00 37.83 34.63 2hg6 s LYS 16 CO 0.32 0.15 0.00 0.41 0.10 0.00 0.00 175.35 176.34 2hg6 n GLY 17 N 1.64 4.06 3.31 0.59 0.00 -1.26 -4.46 105.19 109.08 2hg6 n GLY 17 Ca -0.20 -1.56 -0.36 0.00 0.00 0.00 0.00 46.02 43.90 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 -2.20 3.07 -0.14 1.61 0.08 0.53 -0.49 117.98 120.43 2hg6 s PHE 18 Ca 0.00 -1.04 -0.11 0.00 0.12 0.00 0.00 56.93 55.90 2hg6 s PHE 18 Cb 0.00 -2.17 -0.05 0.00 -0.57 0.00 0.00 43.02 40.23 2hg6 s PHE 18 CO 0.00 -0.58 0.23 0.54 -0.10 0.00 0.00 175.22 175.31 2hg6 s VAL 19 N 1.47 5.35 0.02 -0.44 0.11 -0.12 0.05 120.40 126.83 2hg6 s VAL 19 Ca 0.03 0.41 -0.08 0.00 -2.93 0.00 0.00 61.98 59.42 2hg6 s VAL 19 Cb -0.16 -3.55 0.00 0.00 -1.53 0.00 0.00 36.38 31.14 2hg6 s VAL 19 CO -0.01 0.47 0.16 -0.83 -3.33 0.00 0.00 175.10 171.57 2hg6 s GLY 20 N -0.06 0.05 -0.38 6.54 0.00 0.15 -1.20 107.32 112.42 2hg6 s GLY 20 Ca 0.15 -0.20 -0.21 0.00 0.00 0.00 0.00 44.72 44.45 2hg6 s GLY 20 CO 0.03 -0.35 0.69 -0.12 0.00 0.00 0.00 173.10 173.35 2hg6 s PHE 21 N -1.85 3.12 -0.08 1.90 5.36 -1.26 -0.58 117.98 124.58 2hg6 s PHE 21 Ca -0.11 0.33 -0.15 0.00 -0.96 0.00 0.00 56.93 56.04 2hg6 s PHE 21 Cb -0.05 -3.28 -0.05 0.00 -0.34 0.00 0.00 43.02 39.31 2hg6 s PHE 21 CO -0.00 -0.72 0.38 0.54 -1.46 0.00 0.00 175.22 173.96 2hg6 s ASN 22 N 1.86 6.65 0.00 6.13 2.20 -0.68 -4.66 114.94 126.44 2hg6 s ASN 22 Ca 0.26 0.77 0.29 0.00 -0.94 0.00 0.00 52.86 53.24 2hg6 s ASN 22 Cb -0.14 -2.23 1.32 0.00 -2.00 0.00 0.00 41.25 38.20 2hg6 s ASN 22 CO 0.17 0.18 1.92 -2.11 -2.94 0.00 0.00 177.10 174.32 2hg6 n ARG 23 N 2.80 0.61 -0.02 3.55 1.85 -1.25 -1.06 116.66 123.14 2hg6 n ARG 23 Ca -0.12 -0.16 -0.16 0.00 -1.00 0.00 0.00 57.85 56.42 2hg6 n ARG 23 Cb 0.52 -1.50 -0.11 0.00 -1.05 0.00 0.00 32.46 30.33 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 0.38 0.25 0.00 2.89 3.64 -1.93 -3.34 116.57 118.46 2hg6 h LYS 24 Ca 0.00 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 2hg6 h LYS 24 Cb 0.33 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2hg6 h LYS 24 CO 0.00 0.95 -0.95 0.25 -2.27 0.00 0.00 179.45 177.43 2hg6 n THR 25 N -4.44 0.00 -2.82 1.00 -2.24 -1.25 -5.02 114.28 99.51 2hg6 n THR 25 Ca -0.10 -0.20 -0.10 0.00 -2.27 0.00 0.00 64.05 61.39 2hg6 n THR 25 Cb 0.53 0.79 0.05 0.00 -2.10 0.00 0.00 70.33 69.60 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 0.06 3.30 3.38 0.00 -0.22 -5.05 105.19 108.09 2hg6 n GLY 26 Ca 0.01 -0.18 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 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 -4.95 1.04 -0.54 1.61 1.70 -1.10 -4.99 118.95 111.73 2hg6 s ARG 27 Ca 0.08 -0.95 -0.24 0.00 -0.47 0.00 0.00 55.73 54.15 2hg6 s ARG 27 Cb -0.03 0.40 0.04 0.00 -0.57 0.00 0.00 34.95 34.79 2hg6 s ARG 27 CO 0.38 -0.38 0.94 -0.47 -1.08 0.00 0.00 175.30 174.69 2hg6 s TYR 28 N -3.88 2.81 0.21 5.89 5.04 -1.26 -1.69 117.35 124.46 2hg6 s TYR 28 Ca 0.08 0.02 0.11 0.00 -2.44 0.00 0.00 57.07 54.84 2hg6 s TYR 28 Cb 0.03 -4.06 -0.04 0.00 0.35 0.00 0.00 41.96 38.23 2hg6 s TYR 28 CO -0.07 -1.33 -0.18 0.96 -1.34 0.00 0.00 175.55 173.59 2hg6 s ILE 29 N 3.93 2.69 -0.18 3.14 -5.25 0.26 -4.88 121.20 120.90 2hg6 s ILE 29 Ca 0.31 -1.96 -0.07 0.00 -0.99 0.00 0.00 60.65 57.94 2hg6 s ILE 29 Cb -0.12 -2.33 -0.04 0.00 2.95 0.00 0.00 42.46 42.92 2hg6 s ILE 29 CO 0.20 -0.17 0.04 -0.69 -1.79 0.00 0.00 174.94 172.53 2hg6 s VAL 30 N -1.84 4.58 0.33 8.37 1.01 -1.26 0.31 120.40 131.90 2hg6 s VAL 30 Ca 0.24 -0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.16 2hg6 s VAL 30 Cb -0.08 -3.06 -0.07 0.00 0.00 0.00 0.00 36.38 33.18 2hg6 s VAL 30 CO 0.13 0.46 0.04 -0.13 0.00 0.00 0.00 175.10 175.59 2hg6 s ARG 31 N 0.48 1.68 0.00 2.72 1.81 0.11 -4.93 118.95 120.81 2hg6 s ARG 31 Ca 0.02 -1.93 0.07 0.00 -1.72 0.00 0.00 55.73 52.17 2hg6 s ARG 31 Cb -0.13 -0.99 0.06 0.00 -0.45 0.00 0.00 34.95 33.44 2hg6 s ARG 31 CO 0.01 -0.15 0.74 1.19 -0.68 0.00 0.00 175.30 176.42 2hg6 n PHE 32 N -0.71 0.02 -4.05 -0.53 3.72 -1.26 -0.35 117.46 114.29 2hg6 n PHE 32 Ca -0.03 -0.03 -0.32 0.00 -0.05 0.00 0.00 57.45 57.03 2hg6 n PHE 32 Cb 0.66 -0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 39.05 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 -0.60 4.06 0.49 4.37 0.01 -1.26 -4.93 113.70 115.83 2hg6 s SER 33 Ca 0.08 -1.20 0.27 0.00 1.31 0.00 0.00 55.95 56.42 2hg6 s SER 33 Cb 0.06 -1.46 1.15 0.00 0.21 0.00 0.00 66.02 65.99 2hg6 s SER 33 CO 0.09 -0.16 1.92 -0.33 0.41 0.00 0.00 173.24 175.17 2hg6 h GLU 34 N 7.84 0.00 -0.00 12.44 5.08 -1.96 -2.85 114.58 135.12 2hg6 h GLU 34 Ca -0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2hg6 h GLU 34 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2hg6 h GLU 34 CO 0.48 0.15 -0.00 -0.40 -1.00 0.00 0.00 179.01 178.24 2hg6 n ASP 35 N -3.36 0.12 0.18 1.42 5.75 -1.26 -3.65 116.55 115.75 2hg6 n ASP 35 Ca -0.00 -0.98 0.07 0.00 -0.01 0.00 0.00 54.79 53.87 2hg6 n ASP 35 Cb 0.36 -0.02 0.14 0.00 -1.03 0.00 0.00 41.12 40.57 2hg6 n ASP 35 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 2hg6 h SER 36 N 0.19 0.00 -3.30 -1.12 4.64 -1.94 -3.44 113.55 108.59 2hg6 h SER 36 Ca 0.00 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.69 2hg6 h SER 36 Cb 0.06 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 61.96 2hg6 h SER 36 CO 0.00 0.30 -0.63 -0.36 -0.87 0.00 0.00 176.83 175.27 2hg6 s PHE 37 N -3.15 3.11 0.00 4.77 0.08 -1.24 -5.06 117.98 116.49 2hg6 s PHE 37 Ca 0.04 -0.14 0.00 0.00 0.12 0.00 0.00 56.93 56.95 2hg6 s PHE 37 Cb 0.07 -1.99 0.00 0.00 -0.57 0.00 0.00 43.02 40.53 2hg6 s PHE 37 CO 0.70 0.06 0.00 0.41 -0.10 0.00 0.00 175.22 176.29 2hg6 n GLY 38 N 3.45 0.28 0.48 4.36 0.00 -1.26 -4.91 105.19 107.58 2hg6 n GLY 38 Ca -0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 1.30 0.08 1.61 0.00 -1.26 -3.98 117.12 114.87 2hg6 n MET 39 Ca 0.00 -0.96 0.13 0.00 0.00 0.00 0.00 57.70 56.88 2hg6 n MET 39 Cb 0.00 -1.48 0.46 0.00 0.00 0.00 0.00 33.22 32.20 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 -0.01 0.60 -3.91 3.17 8.00 -1.26 -4.75 116.55 118.39 2hg6 n ASP 40 Ca 0.12 0.55 -0.19 0.00 0.71 0.00 0.00 54.79 55.98 2hg6 n ASP 40 Cb 0.43 -0.71 -0.16 0.00 -0.02 0.00 0.00 41.12 40.66 2hg6 n ASP 40 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2hg6 s VAL 41 N -3.07 0.52 0.03 2.53 1.01 -1.26 -3.94 120.40 116.22 2hg6 s VAL 41 Ca 0.12 -0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 2hg6 s VAL 41 Cb 0.14 -0.53 -0.06 0.00 0.00 0.00 0.00 36.38 35.93 2hg6 s VAL 41 CO 0.58 0.21 1.38 0.00 0.00 0.00 0.00 175.10 177.27 2hg6 s ALA 42 N 0.71 3.57 0.36 5.51 0.00 -1.26 -4.79 121.76 125.85 2hg6 s ALA 42 Ca -0.09 0.94 0.29 0.00 0.00 0.00 0.00 51.96 53.10 2hg6 s ALA 42 Cb -0.12 -3.57 1.46 0.00 0.00 0.00 0.00 23.12 20.89 2hg6 s ALA 42 CO 0.00 -0.80 2.06 0.22 0.00 0.00 0.00 175.76 177.24 2hg6 h ASP 43 N 7.50 0.00 0.74 0.00 3.58 -1.95 -0.23 116.42 126.07 2hg6 h ASP 43 Ca -0.39 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.03 2hg6 h ASP 43 Cb 1.19 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.24 2hg6 h ASP 43 CO 0.89 0.11 -0.11 0.44 -2.88 0.00 0.00 179.24 177.68 2hg6 h ASP 44 N 0.00 0.00 0.19 2.28 3.32 -2.02 -2.31 116.42 117.89 2hg6 h ASP 44 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2hg6 h ASP 44 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 2hg6 h ASP 44 CO 0.01 0.11 -0.19 -1.20 -1.72 0.00 0.00 179.24 176.25 2hg6 n SER 45 N -3.33 1.08 -4.57 6.45 7.64 -0.10 -4.74 113.62 116.04 2hg6 n SER 45 Ca -0.00 -0.99 -0.41 0.00 1.01 0.00 0.00 58.87 58.47 2hg6 n SER 45 Cb 0.31 0.09 -0.08 0.00 -1.01 0.00 0.00 64.21 63.53 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 -2.40 5.08 -0.03 0.44 1.01 -0.87 -4.17 121.20 120.26 2hg6 s ILE 46 Ca 0.27 0.40 -0.02 0.00 0.00 0.00 0.00 60.65 61.30 2hg6 s ILE 46 Cb 0.20 -3.88 0.02 0.00 0.01 0.00 0.00 42.46 38.81 2hg6 s ILE 46 CO 0.48 -0.09 0.07 -0.89 0.00 0.00 0.00 174.94 174.51 2hg6 s THR 47 N 2.26 -0.03 0.09 2.92 2.01 -0.34 -4.93 115.64 117.61 2hg6 s THR 47 Ca 0.17 0.11 -0.31 0.00 0.31 0.00 0.00 61.69 61.96 2hg6 s THR 47 Cb -0.16 -0.12 -0.11 0.00 0.01 0.00 0.00 72.50 72.12 2hg6 s THR 47 CO 0.12 0.04 1.86 -2.65 -0.69 0.00 0.00 174.62 173.30 2hg6 n PRO 48 N 3.65 2.73 0.27 4.92 -0.02 -1.26 -0.94 135.00 144.36 2hg6 n PRO 48 Ca -0.20 0.99 0.19 0.00 -2.02 0.00 0.00 63.50 62.46 2hg6 n PRO 48 Cb 0.55 -2.89 0.98 0.00 -0.02 0.00 0.00 33.50 32.12 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 4.90 0.00 -0.98 3.45 1.03 -1.11 -1.07 112.91 119.14 2hg6 h THR 49 Ca -0.47 -0.02 0.02 0.00 -0.01 0.00 0.00 66.41 65.93 2hg6 h THR 49 Cb 1.23 0.84 -0.05 0.00 -1.07 0.00 0.00 68.15 69.10 2hg6 h THR 49 CO 0.94 0.00 0.64 0.28 -0.01 0.00 0.00 175.52 177.38 2hg6 h SER 50 N 0.00 1.09 -0.00 0.00 0.02 -1.78 -2.97 113.55 109.90 2hg6 h SER 50 Ca 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2hg6 h SER 50 Cb 0.02 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.30 2hg6 h SER 50 CO 0.00 0.77 -0.50 1.21 -1.14 0.00 0.00 176.83 177.16 2hg6 n GLU 51 N -4.43 2.20 0.14 3.45 2.13 -0.59 -4.43 120.64 119.10 2hg6 n GLU 51 Ca 0.12 -0.31 0.02 0.00 0.66 0.00 0.00 57.16 57.65 2hg6 n GLU 51 Cb 0.05 -1.18 0.36 0.00 0.27 0.00 0.00 31.44 30.95 2hg6 n GLU 51 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 2hg6 h PHE 52 N 0.66 0.17 0.00 4.31 3.57 -1.07 -2.23 116.94 122.36 2hg6 h PHE 52 Ca 0.00 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2hg6 h PHE 52 Cb 0.39 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.09 2hg6 h PHE 52 CO 0.00 0.40 0.00 1.33 -2.23 0.00 0.00 178.31 177.81 2hg6 n VAL 53 N -4.19 0.41 -3.44 1.41 0.24 -1.23 -4.69 118.33 106.85 2hg6 n VAL 53 Ca -0.01 0.02 -0.38 0.00 -2.04 0.00 0.00 64.34 61.92 2hg6 n VAL 53 Cb 0.34 -0.69 -0.08 0.00 -1.47 0.00 0.00 33.84 31.93 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 -3.05 3.31 -0.35 6.34 0.52 -0.84 -1.12 118.94 123.75 2hg6 s TRP 54 Ca 0.11 0.46 -0.05 0.00 0.02 0.00 0.00 56.10 56.64 2hg6 s TRP 54 Cb 0.15 -2.50 0.06 0.00 -1.15 0.00 0.00 33.47 30.03 2hg6 s TRP 54 CO 0.47 -0.08 0.11 -1.12 0.02 0.00 0.00 176.95 176.35 2hg6 s SER 55 N 1.29 5.24 -0.20 2.95 0.01 0.78 -4.90 113.70 118.86 2hg6 s SER 55 Ca 0.15 -1.36 -0.29 0.00 1.31 0.00 0.00 55.95 55.76 2hg6 s SER 55 Cb -0.15 -1.84 -0.02 0.00 0.21 0.00 0.00 66.02 64.23 2hg6 s SER 55 CO 0.08 -0.37 1.39 -0.94 0.41 0.00 0.00 173.24 173.81 2hg6 s SER 56 N 1.52 6.73 -0.08 2.44 1.04 -1.26 -0.19 113.70 123.91 2hg6 s SER 56 Ca -0.00 1.61 0.21 0.00 0.48 0.00 0.00 55.95 58.25 2hg6 s SER 56 Cb -0.21 -2.54 -0.31 0.00 0.10 0.00 0.00 66.02 63.07 2hg6 s SER 56 CO 0.01 -0.96 0.37 1.33 0.98 0.00 0.00 173.24 174.96 2hg6 n VAL 57 N 5.81 0.42 -3.82 5.02 0.24 -0.51 -4.96 118.33 120.53 2hg6 n VAL 57 Ca 0.15 -0.61 0.00 0.00 -2.04 0.00 0.00 64.34 61.85 2hg6 n VAL 57 Cb 0.45 -0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.68 2hg6 n VAL 57 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2hg6 n ARG 58 N -2.41 2.05 0.31 7.34 3.00 -1.02 -5.02 116.66 120.90 2hg6 n ARG 58 Ca -0.12 0.00 -0.12 0.00 -0.01 0.00 0.00 57.85 57.59 2hg6 n ARG 58 Cb 0.74 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 33.14 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 0.00 -0.69 -0.39 0.55 5.19 -2.02 -3.34 116.42 115.73 2hg6 h ASP 59 Ca 0.00 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 2hg6 h ASP 59 Cb 0.00 0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.69 2hg6 h ASP 59 CO 0.00 -0.43 0.00 0.47 -3.12 0.00 0.00 179.24 176.16 2hg6 n ASP 60 N -4.53 3.10 -4.34 6.45 8.00 -1.26 -4.88 116.55 119.10 2hg6 n ASP 60 Ca -0.10 -1.92 -0.40 0.00 0.71 0.00 0.00 54.79 53.08 2hg6 n ASP 60 Cb 0.32 -0.25 -0.11 0.00 -0.02 0.00 0.00 41.12 41.06 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 -1.09 4.42 -0.04 2.53 1.01 -1.26 -3.22 120.40 122.76 2hg6 s VAL 61 Ca 0.30 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 61.26 2hg6 s VAL 61 Cb 0.17 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 2hg6 s VAL 61 CO 0.22 -0.31 -0.04 -0.04 0.00 0.00 0.00 175.10 174.94 2hg6 s MET 62 N 1.51 2.77 -0.10 2.72 -1.94 0.49 -1.43 119.30 123.33 2hg6 s MET 62 Ca 0.02 -0.57 -0.00 0.00 -1.71 0.00 0.00 55.69 53.43 2hg6 s MET 62 Cb -0.20 -2.64 -0.03 0.00 2.01 0.00 0.00 34.83 33.98 2hg6 s MET 62 CO 0.05 0.65 -0.08 1.03 -0.01 0.00 0.00 175.02 176.67 2hg6 s ARG 63 N -1.12 3.05 -0.34 2.03 0.52 0.74 -1.20 118.95 122.63 2hg6 s ARG 63 Ca 0.15 -0.57 -0.29 0.00 -0.52 0.00 0.00 55.73 54.50 2hg6 s ARG 63 Cb -0.11 -2.66 0.01 0.00 0.52 0.00 0.00 34.95 32.71 2hg6 s ARG 63 CO 0.05 0.49 1.27 -1.17 0.02 0.00 0.00 175.30 175.96 2hg6 s LEU 64 N -0.35 3.82 -0.62 2.53 1.98 0.34 -0.15 118.68 126.23 2hg6 s LEU 64 Ca 0.05 1.05 -0.19 0.00 -2.89 0.00 0.00 54.13 52.15 2hg6 s LEU 64 Cb -0.12 -3.54 0.10 0.00 0.66 0.00 0.00 46.19 43.29 2hg6 s LEU 64 CO 0.02 -1.12 0.76 -0.83 -1.89 0.00 0.00 176.35 173.29 2hg6 s GLY 65 N 2.75 1.74 0.30 7.98 0.00 -0.28 -4.52 107.32 115.30 2hg6 s GLY 65 Ca 0.54 -2.22 0.25 0.00 0.00 0.00 0.00 44.72 43.30 2hg6 s GLY 65 CO 0.24 1.65 1.74 0.07 0.00 0.00 0.00 173.10 176.81 2hg6 h ARG 66 N 9.20 0.00 0.00 2.90 0.11 -1.94 -1.51 114.38 123.15 2hg6 h ARG 66 Ca -0.27 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.80 2hg6 h ARG 66 Cb 1.08 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.16 2hg6 h ARG 66 CO 1.11 0.00 -0.05 1.05 0.10 0.00 0.00 179.97 182.17 2hg6 h GLU 67 N 0.00 0.00 -0.11 0.08 9.09 -1.96 -1.72 114.58 119.96 2hg6 h GLU 67 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.41 2hg6 h GLU 67 Cb 0.34 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.43 2hg6 h GLU 67 CO 0.00 0.05 0.05 1.96 0.05 0.00 0.00 179.01 181.13 2hg6 h GLN 68 N 0.00 0.15 0.00 1.06 1.08 -1.64 -1.47 115.11 114.29 2hg6 h GLN 68 Ca -0.00 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.17 2hg6 h GLN 68 Cb 0.21 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.61 2hg6 h GLN 68 CO 0.01 0.11 -0.09 -0.07 -0.95 0.00 0.00 178.83 177.84 2hg6 h LEU 69 N 0.15 0.00 -1.42 1.46 4.07 -1.50 -0.92 115.31 117.16 2hg6 h LEU 69 Ca 0.04 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.94 2hg6 h LEU 69 Cb 0.01 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 2hg6 h LEU 69 CO -0.01 0.09 -0.29 1.56 -1.08 0.00 0.00 178.44 178.71 2hg6 h GLN 70 N 0.00 0.00 -0.11 1.13 4.20 -1.41 0.28 115.11 119.20 2hg6 h GLN 70 Ca -0.00 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 2hg6 h GLN 70 Cb 0.18 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 2hg6 h GLN 70 CO 0.01 0.29 -0.46 0.82 -0.67 0.00 0.00 178.83 178.83 2hg6 h ILE 71 N 0.00 1.33 -0.01 2.54 2.04 -1.26 -1.86 117.51 120.28 2hg6 h ILE 71 Ca -0.00 -1.64 -0.17 0.00 1.00 0.00 0.00 64.86 64.05 2hg6 h ILE 71 Cb 0.54 1.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 2hg6 h ILE 71 CO 0.04 0.49 -0.79 -0.07 0.00 0.00 0.00 178.15 177.82 2hg6 h LEU 72 N 0.22 0.13 -1.70 1.44 3.38 -1.18 -2.91 115.31 114.69 2hg6 h LEU 72 Ca 0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2hg6 h LEU 72 Cb 0.90 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2hg6 h LEU 72 CO 0.07 0.86 0.11 0.25 0.09 0.00 0.00 178.44 179.83 2hg6 h LEU 73 N 0.06 0.27 -1.39 1.67 5.85 0.02 -0.24 115.31 121.56 2hg6 h LEU 73 Ca -0.02 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 2hg6 h LEU 73 Cb 1.38 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.32 2hg6 h LEU 73 CO 0.11 0.24 0.33 -0.33 -0.34 0.00 0.00 178.44 178.44 2hg6 h GLU 74 N 0.32 0.74 0.04 1.25 4.39 -1.15 -2.37 114.58 117.80 2hg6 h GLU 74 Ca 0.08 -0.06 -0.23 0.00 0.34 0.00 0.00 59.36 59.49 2hg6 h GLU 74 Cb 0.03 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.52 2hg6 h GLU 74 CO -0.01 0.52 -1.02 1.96 -1.16 0.00 0.00 179.01 179.30 2hg6 h GLN 75 N 0.75 0.28 -0.35 2.33 1.08 -1.15 -3.47 115.11 114.58 2hg6 h GLN 75 Ca 0.20 -0.36 -0.15 0.00 -1.45 0.00 0.00 58.65 56.89 2hg6 h GLN 75 Cb -0.02 0.11 -0.06 0.00 -0.05 0.00 0.00 27.48 27.46 2hg6 h GLN 75 CO -0.04 1.09 -0.14 -1.71 -0.95 0.00 0.00 178.83 177.09 2hg6 n ASN 76 N -3.63 -4.59 -4.11 1.46 4.05 -0.42 -4.94 115.26 103.08 2hg6 n ASN 76 Ca -0.06 0.18 -0.37 0.00 0.45 0.00 0.00 54.58 54.78 2hg6 n ASN 76 Cb 0.89 -2.73 -0.08 0.00 1.23 0.00 0.00 39.78 39.09 2hg6 n ASN 76 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 2hg6 s ILE 77 N -2.04 4.05 0.14 -1.44 -5.25 -1.26 -4.92 121.20 110.49 2hg6 s ILE 77 Ca 0.00 -3.25 -0.10 0.00 -0.99 0.00 0.00 60.65 56.31 2hg6 s ILE 77 Cb 0.00 -3.58 -0.09 0.00 2.95 0.00 0.00 42.46 41.73 2hg6 s ILE 77 CO 0.00 -0.96 1.41 0.78 -1.79 0.00 0.00 174.94 174.38 2hg6 h ASN 78 N 6.72 0.88 1.02 4.36 4.21 -1.92 -2.75 115.58 128.11 2hg6 h ASN 78 Ca 0.05 -0.50 -0.20 0.00 1.21 0.00 0.00 56.30 56.87 2hg6 h ASN 78 Cb 0.91 -0.25 -0.03 0.00 -1.12 0.00 0.00 38.32 37.83 2hg6 h ASN 78 CO 0.76 1.28 -0.95 -0.33 -1.29 0.00 0.00 177.43 176.90 2hg6 h GLU 79 N 0.59 0.00 -0.14 0.81 5.08 -1.92 -0.32 114.58 118.68 2hg6 h GLU 79 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2hg6 h GLU 79 Cb 1.20 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 2hg6 h GLU 79 CO 0.13 0.95 -0.02 -0.09 -1.00 0.00 0.00 179.01 178.98 2hg6 h ARG 80 N 0.00 0.25 0.00 2.33 2.43 -1.96 -2.80 114.38 114.63 2hg6 h ARG 80 Ca -0.01 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2hg6 h ARG 80 Cb 1.72 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 31.25 2hg6 h ARG 80 CO 0.12 0.52 -0.01 -0.07 -1.51 0.00 0.00 179.97 179.01 2hg6 h LEU 81 N -0.03 0.00 -2.57 3.80 3.38 -1.56 -3.46 115.31 114.88 2hg6 h LEU 81 Ca 0.04 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 2hg6 h LEU 81 Cb 0.41 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.28 2hg6 h LEU 81 CO 0.01 0.01 -0.49 -3.20 0.09 0.00 0.00 178.44 174.86 2hg6 n ASN 82 N -3.10 -5.75 -4.65 -0.43 5.15 -0.28 -0.38 115.26 105.82 2hg6 n ASN 82 Ca 0.03 -0.42 -0.43 0.00 -0.60 0.00 0.00 54.58 53.16 2hg6 n ASN 82 Cb 0.48 -4.13 -0.02 0.00 -0.53 0.00 0.00 39.78 35.58 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 -3.22 4.61 0.78 -1.44 1.09 -0.36 -3.09 121.20 119.56 2hg6 s ILE 83 Ca 0.26 1.90 -0.14 0.00 -1.10 0.00 0.00 60.65 61.57 2hg6 s ILE 83 Cb -0.03 -4.35 0.07 0.00 -1.06 0.00 0.00 42.46 37.08 2hg6 s ILE 83 CO 0.56 -0.30 1.19 -0.83 -0.10 0.00 0.00 174.94 175.46 2hg6 s GLY 84 N 1.39 2.16 0.16 6.18 0.00 -1.26 -4.83 107.32 111.13 2hg6 s GLY 84 Ca 0.44 0.78 -0.13 0.00 0.00 0.00 0.00 44.72 45.82 2hg6 s GLY 84 CO 0.10 1.19 1.71 0.83 0.00 0.00 0.00 173.10 176.93 2hg6 h GLU 85 N -0.71 0.84 -0.60 2.90 5.08 -1.95 -0.84 114.58 119.30 2hg6 h GLU 85 Ca -0.46 -0.16 0.17 0.00 -1.00 0.00 0.00 59.36 57.91 2hg6 h GLU 85 Cb 1.29 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 2hg6 h GLU 85 CO 0.48 0.74 0.49 -1.35 -1.00 0.00 0.00 179.01 178.38 2hg6 h PRO 86 N 0.76 0.00 0.07 2.33 0.11 -1.92 -0.56 132.00 132.80 2hg6 h PRO 86 Ca 0.18 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 66.02 2hg6 h PRO 86 Cb 0.23 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.36 2hg6 h PRO 86 CO -0.01 0.00 -1.13 -0.07 -0.21 0.00 0.00 178.00 176.57 2hg6 h LEU 87 N 0.00 0.71 -0.70 2.35 -0.00 -1.51 -1.59 115.31 114.57 2hg6 h LEU 87 Ca 0.28 -0.63 -0.03 0.00 -0.00 0.00 0.00 57.88 57.50 2hg6 h LEU 87 Cb 1.27 -0.22 -0.03 0.00 -0.00 0.00 0.00 40.66 41.67 2hg6 h LEU 87 CO -0.00 1.45 0.32 -0.07 -0.00 0.00 0.00 178.44 180.14 2hg6 h LEU 88 N 0.25 0.93 -0.40 1.67 3.38 -0.14 -2.38 115.31 118.61 2hg6 h LEU 88 Ca -0.14 -0.14 -0.18 0.00 0.09 0.00 0.00 57.88 57.51 2hg6 h LEU 88 Cb 1.80 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 2hg6 h LEU 88 CO 0.21 0.81 -0.79 -0.37 0.09 0.00 0.00 178.44 178.38 2hg6 h VAL 89 N 0.98 1.47 0.00 1.22 -1.51 -1.35 -3.12 116.25 113.94 2hg6 h VAL 89 Ca 0.24 -2.44 -0.02 0.00 -1.23 0.00 0.00 66.70 63.25 2hg6 h VAL 89 Cb 0.14 2.33 -0.00 0.00 -2.13 0.00 0.00 31.29 31.63 2hg6 h VAL 89 CO -0.03 0.71 -0.09 0.22 -1.23 0.00 0.00 177.57 177.16 2hg6 h TYR 90 N 0.12 0.00 0.00 5.19 3.20 -0.91 0.13 116.97 124.70 2hg6 h TYR 90 Ca -0.03 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 2hg6 h TYR 90 Cb 1.38 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.65 2hg6 h TYR 90 CO 0.03 0.09 -0.12 1.25 -1.64 0.00 0.00 178.16 177.76 2hg6 h LEU 91 N 0.00 0.00 0.00 2.82 6.46 -1.37 -3.35 115.31 119.87 2hg6 h LEU 91 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2hg6 h LEU 91 Cb 0.22 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.15 2hg6 h LEU 91 CO 0.01 0.12 0.00 0.54 -0.62 0.00 0.00 178.44 178.49 2hg6 n ARG 92 N -3.72 0.00 -3.35 1.25 1.74 0.24 -5.09 116.66 107.72 2hg6 n ARG 92 Ca -0.02 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.91 2hg6 n ARG 92 Cb 0.23 -0.47 -0.04 0.00 -1.02 0.00 0.00 32.46 31.17 2hg6 n ARG 92 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2hg6 n ARG 93 N -2.46 1.04 -3.65 5.56 1.74 0.03 -5.14 116.66 113.78 2hg6 n ARG 93 Ca 0.00 -1.91 -0.11 0.00 -0.77 0.00 0.00 57.85 55.06 2hg6 n ARG 93 Cb 0.00 0.77 -0.05 0.00 -1.02 0.00 0.00 32.46 32.16 2hg6 n ARG 93 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 2hg6 s GLN 94 N -2.90 1.01 -0.15 5.56 0.00 -1.26 -3.37 119.66 118.54 2hg6 s GLN 94 Ca 0.06 -0.61 -0.11 0.00 -0.00 0.00 0.00 55.36 54.69 2hg6 s GLN 94 Cb 0.00 0.45 -0.06 0.00 0.00 0.00 0.00 33.01 33.40 2hg6 s GLN 94 CO 0.04 -0.38 -0.11 0.22 0.00 0.00 0.00 175.29 175.06 2hg6 h ASP 95 N 2.58 0.00 -3.35 12.60 1.82 -1.95 -3.44 116.42 124.68 2hg6 h ASP 95 Ca -0.33 -0.08 -0.60 0.00 -0.39 0.00 0.00 57.03 55.63 2hg6 h ASP 95 Cb 1.24 0.00 -0.09 0.00 0.68 0.00 0.00 39.33 41.16 2hg6 h ASP 95 CO 0.46 0.87 0.35 -0.76 -1.61 0.00 0.00 179.24 178.55 2hg6 s LEU 96 N -8.17 4.09 0.15 2.28 2.01 -1.26 -4.98 118.68 112.80 2hg6 s LEU 96 Ca -0.17 0.95 -0.27 0.00 0.01 0.00 0.00 54.13 54.65 2hg6 s LEU 96 Cb 0.03 -3.08 -0.01 0.00 0.01 0.00 0.00 46.19 43.13 2hg6 s LEU 96 CO 0.28 -0.44 1.58 -0.65 1.01 0.00 0.00 176.35 178.12 2hg6 h PRO 97 N 7.67 -0.36 -4.50 1.29 0.11 -2.00 -3.37 132.00 130.83 2hg6 h PRO 97 Ca -0.26 0.02 -0.54 0.00 0.11 0.00 0.00 66.00 65.33 2hg6 h PRO 97 Cb 1.11 0.08 -0.35 0.00 0.11 0.00 0.00 31.00 31.95 2hg6 h PRO 97 CO 0.83 -0.24 -0.82 -1.21 -0.21 0.00 0.00 178.00 176.36 2hg6 s GLU 98 N -5.88 1.83 -0.36 1.05 2.02 -1.26 -4.95 118.70 111.15 2hg6 s GLU 98 Ca -0.15 -0.41 -0.29 0.00 0.02 0.00 0.00 54.97 54.14 2hg6 s GLU 98 Cb 0.11 -1.65 -0.00 0.00 0.10 0.00 0.00 34.13 32.69 2hg6 s GLU 98 CO 0.65 -0.11 1.57 0.42 0.02 0.00 0.00 175.26 177.81 2hg6 s ILE 99 N 1.16 3.73 -0.15 -1.63 1.01 -1.26 -4.85 121.20 119.21 2hg6 s ILE 99 Ca -0.04 0.75 -0.02 0.00 0.00 0.00 0.00 60.65 61.33 2hg6 s ILE 99 Cb -0.14 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.35 2hg6 s ILE 99 CO -0.03 -0.59 -0.07 0.42 0.00 0.00 0.00 174.94 174.67 2hg6 s THR 100 N 5.94 3.55 -0.14 2.92 -4.23 -1.26 -0.50 115.64 121.91 2hg6 s THR 100 Ca 0.69 -0.48 0.01 0.00 -1.18 0.00 0.00 61.69 60.72 2hg6 s THR 100 Cb -0.18 -2.53 0.02 0.00 1.34 0.00 0.00 72.50 71.15 2hg6 s THR 100 CO 0.33 0.51 -0.14 0.00 -0.54 0.00 0.00 174.62 174.77 2hg6 s ALA 101 N 0.37 1.85 -0.03 3.99 0.00 -0.34 -4.99 121.76 122.61 2hg6 s ALA 101 Ca -0.07 -0.89 -0.03 0.00 0.00 0.00 0.00 51.96 50.97 2hg6 s ALA 101 Cb -0.15 -1.02 0.01 0.00 0.00 0.00 0.00 23.12 21.95 2hg6 s ALA 101 CO 0.04 -0.33 0.08 1.14 0.00 0.00 0.00 175.76 176.69 2hg6 s GLN 102 N 1.41 0.15 -0.06 0.00 -2.07 -1.25 -0.38 119.66 117.46 2hg6 s GLN 102 Ca 0.03 0.03 0.02 0.00 -1.82 0.00 0.00 55.36 53.62 2hg6 s GLN 102 Cb -0.13 0.07 0.02 0.00 -1.09 0.00 0.00 33.01 31.87 2hg6 s GLN 102 CO -0.09 -0.02 -0.10 -0.98 -1.32 0.00 0.00 175.29 172.78 2hg6 s ARG 103 N -0.17 1.44 0.14 9.60 1.70 -1.20 -5.01 118.95 125.45 2hg6 s ARG 103 Ca -0.02 -0.31 0.07 0.00 -0.47 0.00 0.00 55.73 55.00 2hg6 s ARG 103 Cb -0.02 -1.25 -0.04 0.00 -0.57 0.00 0.00 34.95 33.07 2hg6 s ARG 103 CO 0.00 -0.03 -0.16 1.14 -1.08 0.00 0.00 175.30 175.18 2hg6 s GLN 104 N 0.81 1.13 -0.08 3.89 1.03 -1.26 -4.81 119.66 120.37 2hg6 s GLN 104 Ca -0.12 -1.31 0.12 0.00 0.04 0.00 0.00 55.36 54.09 2hg6 s GLN 104 Cb -0.15 -1.08 0.20 0.00 0.03 0.00 0.00 33.01 32.01 2hg6 s GLN 104 CO 0.02 0.21 1.10 -0.11 -2.54 0.00 0.00 175.29 173.97 2hg6 n LEU 105 N 0.44 1.44 -0.13 2.60 7.94 -1.26 -5.27 117.00 122.76 2hg6 n LEU 105 Ca -0.15 -2.32 0.15 0.00 -1.11 0.00 0.00 56.01 52.59 2hg6 n LEU 105 Cb 0.57 -0.25 0.84 0.00 0.53 0.00 0.00 43.42 45.10 2hg6 n LEU 105 CO 0.28 0.58 1.05 0.54 -1.11 0.00 0.00 177.39 178.73