#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 6.36 0.20 3.17 0.01 -1.26 -4.90 113.70 117.28 2hg6 s SER 2 Ca 0.00 0.30 -0.30 0.00 1.31 0.00 0.00 55.95 57.26 2hg6 s SER 2 Cb 0.00 -1.97 -0.09 0.00 0.21 0.00 0.00 66.02 64.18 2hg6 s SER 2 CO 0.00 -0.05 1.31 -0.63 0.41 0.00 0.00 173.24 174.29 2hg6 s ILE 3 N -1.89 3.21 0.39 1.44 -1.09 -1.26 -4.95 121.20 117.04 2hg6 s ILE 3 Ca 0.37 0.99 0.00 0.00 -2.23 0.00 0.00 60.65 59.78 2hg6 s ILE 3 Cb -0.11 -3.63 0.08 0.00 -1.58 0.00 0.00 42.46 37.22 2hg6 s ILE 3 CO 0.30 0.15 0.53 0.35 -1.23 0.00 0.00 174.94 175.03 2hg6 n THR 4 N 2.65 0.00 -0.79 2.92 -2.24 -1.26 -5.12 114.28 110.43 2hg6 n THR 4 Ca 0.06 -0.86 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 2hg6 n THR 4 Cb 0.43 -1.09 0.00 0.00 -2.10 0.00 0.00 70.33 67.56 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 -2.93 -0.09 0.20 3.42 2.88 -1.26 -4.79 113.62 111.05 2hg6 n SER 5 Ca 0.09 -0.79 0.16 0.00 -1.33 0.00 0.00 58.87 57.00 2hg6 n SER 5 Cb 0.32 0.00 0.63 0.00 -0.75 0.00 0.00 64.21 64.41 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 -0.89 0.11 -0.33 2.46 2.02 -2.03 0.12 112.91 114.39 2hg6 h THR 6 Ca 0.00 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 2hg6 h THR 6 Cb 0.00 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 2hg6 h THR 6 CO 0.00 0.00 0.46 0.44 0.37 0.00 0.00 175.52 176.79 2hg6 h ASP 7 N 0.00 0.00 0.07 4.18 5.19 -1.98 -1.92 116.42 121.96 2hg6 h ASP 7 Ca 0.12 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.52 2hg6 h ASP 7 Cb 1.25 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.76 2hg6 h ASP 7 CO -0.00 0.00 -0.05 -0.29 -3.12 0.00 0.00 179.24 175.78 2hg6 h ILE 8 N 0.00 0.90 0.00 0.35 2.10 -1.27 0.17 117.51 119.76 2hg6 h ILE 8 Ca 0.16 0.00 -0.16 0.00 1.08 0.00 0.00 64.86 65.94 2hg6 h ILE 8 Cb 1.06 0.90 -0.02 0.00 -1.09 0.00 0.00 36.82 37.67 2hg6 h ILE 8 CO -0.00 0.00 -0.75 0.00 -1.08 0.00 0.00 178.15 176.32 2hg6 h GLN 10 N 0.00 1.11 -0.02 0.00 4.20 -1.10 -1.59 115.11 117.70 2hg6 h GLN 10 Ca -0.01 -0.18 -0.07 0.00 0.06 0.00 0.00 58.65 58.45 2hg6 h GLN 10 Cb 1.35 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 2hg6 h GLN 10 CO 0.10 0.88 -0.33 0.00 -0.67 0.00 0.00 178.83 178.80 2hg6 h ALA 11 N 1.27 1.40 -0.13 3.87 0.00 -0.59 -0.33 119.26 124.75 2hg6 h ALA 11 Ca 0.26 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 2hg6 h ALA 11 Cb 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2hg6 h ALA 11 CO -0.03 0.44 -0.58 0.00 0.00 0.00 0.00 179.25 179.08 2hg6 h ALA 12 N 1.62 0.74 0.00 0.00 0.00 -1.33 -2.51 119.26 117.80 2hg6 h ALA 12 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2hg6 h ALA 12 Cb 0.61 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2hg6 h ALA 12 CO 0.04 0.70 0.00 0.22 0.00 0.00 0.00 179.25 180.22 2hg6 h ASP 13 N 0.32 0.00 -0.40 0.00 3.58 -0.81 -3.05 116.42 116.06 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 1.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.16 2hg6 h ASP 13 CO 0.10 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.46 2hg6 n ALA 14 N -1.96 2.44 -1.09 -0.78 0.00 -0.18 -4.70 120.51 114.24 2hg6 n ALA 14 Ca 0.04 -0.90 -0.31 0.00 0.00 0.00 0.00 53.44 52.27 2hg6 n ALA 14 Cb 0.42 -0.95 0.12 0.00 0.00 0.00 0.00 19.45 19.03 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 -1.36 2.95 0.02 0.00 1.43 -1.03 -5.03 118.68 115.67 2hg6 s LEU 15 Ca 0.37 1.92 0.05 0.00 -1.03 0.00 0.00 54.13 55.44 2hg6 s LEU 15 Cb 0.21 -4.52 -0.02 0.00 0.03 0.00 0.00 46.19 41.90 2hg6 s LEU 15 CO 0.29 -2.38 -0.14 -1.59 0.23 0.00 0.00 176.35 172.76 2hg6 s LYS 16 N -4.83 1.01 0.00 1.70 -2.85 -1.25 -4.09 119.74 109.42 2hg6 s LYS 16 Ca 0.63 -0.64 0.00 0.00 -1.00 0.00 0.00 55.97 54.96 2hg6 s LYS 16 Cb -0.19 -1.00 0.00 0.00 -2.06 0.00 0.00 37.83 34.58 2hg6 s LYS 16 CO 0.57 0.26 0.00 0.41 0.10 0.00 0.00 175.35 176.69 2hg6 n GLY 17 N 2.26 3.78 3.23 0.59 0.00 -1.26 -4.79 105.19 109.00 2hg6 n GLY 17 Ca -0.16 -1.62 -0.35 0.00 0.00 0.00 0.00 46.02 43.89 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 -2.11 3.03 -0.23 1.61 0.40 0.11 -0.34 117.98 120.46 2hg6 s PHE 18 Ca 0.00 -1.37 -0.14 0.00 -0.60 0.00 0.00 56.93 54.82 2hg6 s PHE 18 Cb 0.00 -2.08 -0.04 0.00 0.51 0.00 0.00 43.02 41.41 2hg6 s PHE 18 CO 0.00 -0.68 0.34 0.08 0.70 0.00 0.00 175.22 175.66 2hg6 s VAL 19 N 1.37 5.23 0.33 -0.44 1.01 0.10 0.25 120.40 128.26 2hg6 s VAL 19 Ca 0.02 0.55 0.06 0.00 0.00 0.00 0.00 61.98 62.61 2hg6 s VAL 19 Cb -0.16 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 2hg6 s VAL 19 CO -0.04 0.25 0.31 0.61 0.00 0.00 0.00 175.10 176.23 2hg6 n GLY 20 N 4.19 2.81 3.80 4.51 0.00 0.88 -0.19 105.19 121.18 2hg6 n GLY 20 Ca -0.10 -1.85 -0.37 0.00 0.00 0.00 0.00 46.02 43.70 2hg6 n GLY 20 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2hg6 s PHE 21 N -3.26 3.59 -0.27 1.61 5.36 -1.22 0.19 117.98 123.98 2hg6 s PHE 21 Ca 0.37 0.72 -0.06 0.00 -0.96 0.00 0.00 56.93 57.01 2hg6 s PHE 21 Cb 0.01 -2.24 -0.00 0.00 -0.34 0.00 0.00 43.02 40.46 2hg6 s PHE 21 CO 0.26 0.49 0.04 1.21 -1.46 0.00 0.00 175.22 175.77 2hg6 s ASN 22 N -0.41 4.91 0.35 6.13 3.84 0.00 -4.83 114.94 124.93 2hg6 s ASN 22 Ca 0.19 -0.52 0.13 0.00 0.21 0.00 0.00 52.86 52.87 2hg6 s ASN 22 Cb -0.14 -1.85 0.62 0.00 -0.55 0.00 0.00 41.25 39.33 2hg6 s ASN 22 CO 0.07 -0.11 1.75 0.08 -2.79 0.00 0.00 177.10 176.11 2hg6 h ARG 23 N 8.20 0.00 -0.01 0.43 0.11 -1.91 0.12 114.38 121.33 2hg6 h ARG 23 Ca -0.35 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.72 2hg6 h ARG 23 Cb 1.14 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.22 2hg6 h ARG 23 CO 0.60 0.44 -0.01 0.87 0.10 0.00 0.00 179.97 181.97 2hg6 h LYS 24 N 0.00 0.02 0.00 0.08 1.57 -1.95 -3.20 116.57 113.09 2hg6 h LYS 24 Ca -0.00 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 2hg6 h LYS 24 Cb 0.82 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.12 2hg6 h LYS 24 CO 0.06 0.53 -0.19 1.79 -0.57 0.00 0.00 179.45 181.08 2hg6 h THR 25 N -0.50 0.19 -0.80 -0.16 1.35 -2.00 -3.47 112.91 107.53 2hg6 h THR 25 Ca 0.00 -1.28 -0.14 0.00 -0.55 0.00 0.00 66.41 64.45 2hg6 h THR 25 Cb 0.53 2.06 -0.02 0.00 -1.73 0.00 0.00 68.15 69.00 2hg6 h THR 25 CO 0.00 0.11 -0.16 0.61 -0.25 0.00 0.00 175.52 175.83 2hg6 n GLY 26 N 1.14 0.30 3.24 5.82 0.00 0.42 -5.02 105.19 111.08 2hg6 n GLY 26 Ca 0.03 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.88 1.15 -0.34 1.61 1.70 -1.10 -4.97 118.95 113.11 2hg6 s ARG 27 Ca 0.00 -1.58 -0.16 0.00 -0.47 0.00 0.00 55.73 53.53 2hg6 s ARG 27 Cb 0.00 -0.12 -0.01 0.00 -0.57 0.00 0.00 34.95 34.25 2hg6 s ARG 27 CO 0.00 -0.22 0.39 -0.47 -1.08 0.00 0.00 175.30 173.93 2hg6 s TYR 28 N -3.80 3.20 0.33 5.89 5.04 -1.26 -0.81 117.35 125.94 2hg6 s TYR 28 Ca 0.28 0.01 0.04 0.00 -2.44 0.00 0.00 57.07 54.96 2hg6 s TYR 28 Cb 0.07 -2.72 -0.06 0.00 0.35 0.00 0.00 41.96 39.59 2hg6 s TYR 28 CO 0.06 -0.46 0.06 0.96 -1.34 0.00 0.00 175.55 174.84 2hg6 s ILE 29 N 2.09 1.20 -0.15 3.14 -5.25 0.13 -4.91 121.20 117.45 2hg6 s ILE 29 Ca 0.13 -2.00 -0.11 0.00 -0.99 0.00 0.00 60.65 57.68 2hg6 s ILE 29 Cb -0.16 -2.79 -0.05 0.00 2.95 0.00 0.00 42.46 42.41 2hg6 s ILE 29 CO 0.12 0.00 0.22 -0.69 -1.79 0.00 0.00 174.94 172.80 2hg6 s VAL 30 N -3.27 5.36 0.35 8.37 1.01 -1.26 -0.08 120.40 130.88 2hg6 s VAL 30 Ca 0.36 0.38 0.06 0.00 0.00 0.00 0.00 61.98 62.78 2hg6 s VAL 30 Cb 0.09 -3.54 -0.07 0.00 0.00 0.00 0.00 36.38 32.86 2hg6 s VAL 30 CO 0.16 0.47 0.01 -0.13 0.00 0.00 0.00 175.10 175.61 2hg6 s ARG 31 N -0.02 1.77 0.00 2.72 1.81 0.14 -4.95 118.95 120.42 2hg6 s ARG 31 Ca 0.14 -1.98 0.02 0.00 -1.72 0.00 0.00 55.73 52.19 2hg6 s ARG 31 Cb -0.12 -1.27 0.00 0.00 -0.45 0.00 0.00 34.95 33.11 2hg6 s ARG 31 CO 0.03 -0.08 0.36 1.19 -0.68 0.00 0.00 175.30 176.11 2hg6 n PHE 32 N -0.79 0.00 -3.75 -0.53 3.01 -1.26 0.10 117.46 114.23 2hg6 n PHE 32 Ca -0.04 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.06 2hg6 n PHE 32 Cb 0.66 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 40.02 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 -0.58 5.53 0.38 4.37 0.01 -1.26 -4.82 113.70 117.33 2hg6 s SER 33 Ca 0.02 -0.08 0.09 0.00 1.31 0.00 0.00 55.95 57.29 2hg6 s SER 33 Cb 0.01 -2.00 0.77 0.00 0.21 0.00 0.00 66.02 65.01 2hg6 s SER 33 CO 0.04 0.01 1.90 -0.08 0.41 0.00 0.00 173.24 175.52 2hg6 h GLU 34 N 7.95 0.23 -0.69 12.44 4.81 -1.94 -2.44 114.58 134.93 2hg6 h GLU 34 Ca -0.37 -0.06 -0.39 0.00 -0.13 0.00 0.00 59.36 58.41 2hg6 h GLU 34 Cb 1.18 -0.03 -0.23 0.00 0.63 0.00 0.00 28.75 30.30 2hg6 h GLU 34 CO 0.60 0.39 0.23 -3.47 -0.73 0.00 0.00 179.01 176.03 2hg6 n ASP 35 N -4.26 3.80 -0.27 1.04 2.03 -1.26 -4.62 116.55 113.01 2hg6 n ASP 35 Ca -0.01 -3.73 -0.05 0.00 0.52 0.00 0.00 54.79 51.52 2hg6 n ASP 35 Cb 0.28 -0.73 0.06 0.00 -0.72 0.00 0.00 41.12 40.01 2hg6 n ASP 35 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2hg6 h SER 36 N 1.23 0.86 -3.52 1.67 4.64 -1.85 -3.39 113.55 113.19 2hg6 h SER 36 Ca 0.43 -0.03 -0.61 0.00 -0.47 0.00 0.00 61.79 61.11 2hg6 h SER 36 Cb 1.94 -0.21 -0.13 0.00 -0.31 0.00 0.00 62.40 63.69 2hg6 h SER 36 CO 0.83 0.63 -0.38 -0.36 -0.87 0.00 0.00 176.83 176.67 2hg6 s PHE 37 N -6.11 3.35 0.00 4.77 0.08 -1.26 -5.03 117.98 113.77 2hg6 s PHE 37 Ca -0.13 0.39 0.00 0.00 0.12 0.00 0.00 56.93 57.31 2hg6 s PHE 37 Cb 0.15 -2.36 0.00 0.00 -0.57 0.00 0.00 43.02 40.24 2hg6 s PHE 37 CO 0.78 0.05 0.00 0.41 -0.10 0.00 0.00 175.22 176.36 2hg6 n GLY 38 N 4.08 0.12 0.02 4.36 0.00 -1.26 -4.61 105.19 107.91 2hg6 n GLY 38 Ca -0.12 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.00 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 0.05 0.15 1.61 -0.00 -1.26 -3.66 117.12 114.01 2hg6 n MET 39 Ca 0.00 0.17 -0.10 0.00 -0.00 0.00 0.00 57.70 57.77 2hg6 n MET 39 Cb 0.00 -1.57 -0.06 0.00 -0.00 0.00 0.00 33.22 31.60 2hg6 n MET 39 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 2hg6 h ASP 40 N 0.00 -0.38 -3.93 3.17 3.32 -1.97 -3.46 116.42 113.17 2hg6 h ASP 40 Ca 0.00 -0.11 -0.35 0.00 0.02 0.00 0.00 57.03 56.59 2hg6 h ASP 40 Cb 0.40 0.10 -0.29 0.00 0.22 0.00 0.00 39.33 39.77 2hg6 h ASP 40 CO 0.00 0.08 -0.76 -0.69 -1.72 0.00 0.00 179.24 176.15 2hg6 s VAL 41 N -3.51 0.50 0.31 -1.35 1.01 -1.24 -4.91 120.40 111.20 2hg6 s VAL 41 Ca -0.10 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.32 2hg6 s VAL 41 Cb 0.01 -0.42 -0.11 0.00 0.00 0.00 0.00 36.38 35.85 2hg6 s VAL 41 CO 0.34 0.14 1.58 0.00 0.00 0.00 0.00 175.10 177.17 2hg6 n ALA 42 N 2.96 2.55 0.32 5.51 0.00 -1.26 -4.17 120.51 126.41 2hg6 n ALA 42 Ca -0.13 0.37 0.21 0.00 0.00 0.00 0.00 53.44 53.88 2hg6 n ALA 42 Cb 0.58 -2.46 1.08 0.00 0.00 0.00 0.00 19.45 18.65 2hg6 n ALA 42 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2hg6 h ASP 43 N 4.46 0.00 0.71 0.00 3.04 -1.85 0.49 116.42 123.27 2hg6 h ASP 43 Ca -0.48 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.29 2hg6 h ASP 43 Cb 1.23 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.51 2hg6 h ASP 43 CO 0.77 0.01 -0.12 -0.78 -2.04 0.00 0.00 179.24 177.07 2hg6 h ASP 44 N 0.00 0.00 -0.49 4.15 3.58 -1.97 -1.69 116.42 120.01 2hg6 h ASP 44 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2hg6 h ASP 44 Cb 0.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.16 2hg6 h ASP 44 CO 0.00 0.12 0.00 -1.20 -2.88 0.00 0.00 179.24 175.28 2hg6 n SER 45 N -3.37 2.64 -4.22 2.28 7.64 0.16 -4.70 113.62 114.05 2hg6 n SER 45 Ca -0.01 -2.01 -0.36 0.00 1.01 0.00 0.00 58.87 57.50 2hg6 n SER 45 Cb 0.31 -0.33 -0.13 0.00 -1.01 0.00 0.00 64.21 63.05 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 -1.37 3.39 -0.12 0.44 1.01 -0.64 -3.45 121.20 120.47 2hg6 s ILE 46 Ca 0.33 -1.27 0.03 0.00 0.00 0.00 0.00 60.65 59.73 2hg6 s ILE 46 Cb 0.17 -2.94 0.01 0.00 0.01 0.00 0.00 42.46 39.71 2hg6 s ILE 46 CO 0.22 -0.15 -0.21 -0.89 0.00 0.00 0.00 174.94 173.91 2hg6 s THR 47 N 1.33 1.91 0.19 2.92 2.01 0.73 -4.87 115.64 119.85 2hg6 s THR 47 Ca -0.03 -0.90 -0.33 0.00 0.31 0.00 0.00 61.69 60.74 2hg6 s THR 47 Cb -0.20 -1.69 -0.13 0.00 0.01 0.00 0.00 72.50 70.49 2hg6 s THR 47 CO 0.01 0.52 1.56 -2.65 -0.69 0.00 0.00 174.62 173.37 2hg6 n PRO 48 N 3.99 2.22 0.19 4.92 -0.02 -1.26 0.03 135.00 145.07 2hg6 n PRO 48 Ca -0.20 0.80 0.14 0.00 -2.02 0.00 0.00 63.50 62.22 2hg6 n PRO 48 Cb 0.52 -2.55 0.65 0.00 -0.02 0.00 0.00 33.50 32.10 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 3.50 0.00 -0.07 3.45 1.03 -1.01 0.87 112.91 120.68 2hg6 h THR 49 Ca -0.45 -0.14 -0.03 0.00 -0.01 0.00 0.00 66.41 65.78 2hg6 h THR 49 Cb 1.25 0.85 -0.01 0.00 -1.07 0.00 0.00 68.15 69.17 2hg6 h THR 49 CO 0.86 0.00 -0.10 0.28 -0.01 0.00 0.00 175.52 176.55 2hg6 h SER 50 N 0.00 0.10 0.00 0.00 0.02 -1.75 -3.16 113.55 108.75 2hg6 h SER 50 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2hg6 h SER 50 Cb 0.19 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.71 2hg6 h SER 50 CO 0.00 0.22 -0.77 1.21 -1.14 0.00 0.00 176.83 176.35 2hg6 n GLU 51 N -4.36 2.37 0.28 3.45 2.13 -0.48 -3.98 120.64 120.05 2hg6 n GLU 51 Ca -0.02 -0.02 0.15 0.00 0.66 0.00 0.00 57.16 57.93 2hg6 n GLU 51 Cb 0.21 -0.92 0.79 0.00 0.27 0.00 0.00 31.44 31.79 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 0.00 0.00 0.00 4.31 3.57 -0.85 -0.92 116.94 123.05 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 0.13 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.87 2hg6 h PHE 52 CO 0.00 0.08 0.00 1.33 -2.23 0.00 0.00 178.31 177.49 2hg6 n VAL 53 N -3.44 0.07 -3.91 1.41 0.24 -1.21 -4.79 118.33 106.71 2hg6 n VAL 53 Ca -0.01 0.02 -0.36 0.00 -2.04 0.00 0.00 64.34 61.94 2hg6 n VAL 53 Cb 0.23 -0.54 -0.07 0.00 -1.47 0.00 0.00 33.84 31.99 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 -2.89 3.47 -0.25 6.34 0.52 -0.35 -0.60 118.94 125.17 2hg6 s TRP 54 Ca 0.17 0.39 0.01 0.00 0.02 0.00 0.00 56.10 56.69 2hg6 s TRP 54 Cb 0.19 -2.00 0.04 0.00 -1.15 0.00 0.00 33.47 30.55 2hg6 s TRP 54 CO 0.49 0.53 -0.09 0.45 0.02 0.00 0.00 176.95 178.35 2hg6 s SER 55 N -0.49 4.29 -0.06 2.95 0.15 0.16 -4.89 113.70 115.81 2hg6 s SER 55 Ca 0.12 -1.13 -0.30 0.00 0.70 0.00 0.00 55.95 55.33 2hg6 s SER 55 Cb -0.12 -1.59 -0.05 0.00 -1.71 0.00 0.00 66.02 62.55 2hg6 s SER 55 CO 0.02 -0.16 1.48 -0.55 1.20 0.00 0.00 173.24 175.23 2hg6 s SER 56 N 1.21 6.79 0.00 5.45 0.15 -1.26 0.20 113.70 126.23 2hg6 s SER 56 Ca -0.04 2.08 0.05 0.00 0.70 0.00 0.00 55.95 58.74 2hg6 s SER 56 Cb -0.18 -2.54 0.08 0.00 -1.71 0.00 0.00 66.02 61.67 2hg6 s SER 56 CO -0.05 -0.82 0.85 1.33 1.20 0.00 0.00 173.24 175.74 2hg6 n VAL 57 N 5.17 0.39 -3.22 4.45 0.24 -0.47 -4.93 118.33 119.96 2hg6 n VAL 57 Ca 0.15 -0.69 -0.02 0.00 -2.04 0.00 0.00 64.34 61.74 2hg6 n VAL 57 Cb 0.43 0.88 0.01 0.00 -1.47 0.00 0.00 33.84 33.69 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 0.19 0.22 -0.08 7.34 5.12 -0.81 -4.96 116.66 123.67 2hg6 n ARG 58 Ca 0.04 -0.43 -0.08 0.00 -1.93 0.00 0.00 57.85 55.45 2hg6 n ARG 58 Cb 0.21 0.54 -0.01 0.00 -1.16 0.00 0.00 32.46 32.04 2hg6 n ARG 58 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 2hg6 h ASP 59 N 0.40 0.23 0.00 0.55 5.19 -2.03 -3.36 116.42 117.40 2hg6 h ASP 59 Ca -0.07 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 2hg6 h ASP 59 Cb 0.25 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.72 2hg6 h ASP 59 CO 0.08 0.18 -0.84 -0.67 -3.12 0.00 0.00 179.24 174.87 2hg6 n ASP 60 N -4.95 4.22 -4.66 6.45 2.03 -1.26 -5.02 116.55 113.36 2hg6 n ASP 60 Ca -0.01 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.87 2hg6 n ASP 60 Cb 0.06 0.74 -0.02 0.00 -0.72 0.00 0.00 41.12 41.18 2hg6 n ASP 60 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2hg6 s VAL 61 N -1.72 4.67 0.25 5.18 1.01 -1.26 -4.54 120.40 123.98 2hg6 s VAL 61 Ca 0.00 1.95 0.10 0.00 0.00 0.00 0.00 61.98 64.03 2hg6 s VAL 61 Cb 0.00 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 2hg6 s VAL 61 CO 0.00 -0.22 -0.05 -0.04 0.00 0.00 0.00 175.10 174.79 2hg6 s MET 62 N 3.24 2.15 0.14 2.72 -1.94 0.09 -1.37 119.30 124.33 2hg6 s MET 62 Ca 0.44 -1.43 0.10 0.00 -1.71 0.00 0.00 55.69 53.08 2hg6 s MET 62 Cb -0.15 -2.10 -0.04 0.00 2.01 0.00 0.00 34.83 34.55 2hg6 s MET 62 CO 0.07 0.38 -0.23 -0.98 -0.01 0.00 0.00 175.02 174.25 2hg6 s ARG 63 N -3.44 1.33 -0.33 2.03 1.70 0.13 0.18 118.95 120.54 2hg6 s ARG 63 Ca 0.30 -1.34 -0.29 0.00 -0.47 0.00 0.00 55.73 53.93 2hg6 s ARG 63 Cb -0.07 -1.67 0.01 0.00 -0.57 0.00 0.00 34.95 32.66 2hg6 s ARG 63 CO 0.18 0.38 1.19 -1.17 -1.08 0.00 0.00 175.30 174.80 2hg6 s LEU 64 N -2.21 3.88 -0.10 -1.89 1.98 0.80 0.39 118.68 121.51 2hg6 s LEU 64 Ca 0.13 1.06 -0.17 0.00 -2.89 0.00 0.00 54.13 52.26 2hg6 s LEU 64 Cb -0.09 -3.54 -0.05 0.00 0.66 0.00 0.00 46.19 43.17 2hg6 s LEU 64 CO 0.06 -1.01 0.44 -0.83 -1.89 0.00 0.00 176.35 173.12 2hg6 s GLY 65 N 2.27 2.38 0.45 7.98 0.00 0.23 -4.47 107.32 116.16 2hg6 s GLY 65 Ca 0.51 -0.23 0.30 0.00 0.00 0.00 0.00 44.72 45.30 2hg6 s GLY 65 CO 0.21 0.61 1.90 3.21 0.00 0.00 0.00 173.10 179.03 2hg6 h ARG 66 N 6.33 0.00 0.00 2.90 3.08 -1.95 -3.21 114.38 121.54 2hg6 h ARG 66 Ca -0.43 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.59 2hg6 h ARG 66 Cb 1.18 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.23 2hg6 h ARG 66 CO 0.73 0.00 -0.16 0.93 -1.07 0.00 0.00 179.97 180.40 2hg6 h GLU 67 N 0.00 0.00 -0.42 0.04 5.08 -1.93 -2.10 114.58 115.25 2hg6 h GLU 67 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2hg6 h GLU 67 Cb 0.43 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2hg6 h GLU 67 CO 0.00 0.16 0.13 -0.56 -1.00 0.00 0.00 179.01 177.74 2hg6 h GLN 68 N 0.00 0.60 -0.24 2.33 -0.00 -1.86 -2.51 115.11 113.44 2hg6 h GLN 68 Ca -0.00 -0.09 -0.08 0.00 -0.00 0.00 0.00 58.65 58.47 2hg6 h GLN 68 Cb 0.50 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.48 27.86 2hg6 h GLN 68 CO 0.02 0.54 -0.21 -0.07 -0.00 0.00 0.00 178.83 179.10 2hg6 h LEU 69 N 0.60 0.43 -0.92 0.06 3.38 -1.61 -1.79 115.31 115.46 2hg6 h LEU 69 Ca 0.14 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2hg6 h LEU 69 Cb 0.19 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 2hg6 h LEU 69 CO -0.01 0.66 0.59 1.56 0.09 0.00 0.00 178.44 181.33 2hg6 h GLN 70 N 0.39 1.23 -0.03 1.13 1.08 -1.50 0.95 115.11 118.36 2hg6 h GLN 70 Ca 0.06 -0.09 -0.15 0.00 -1.45 0.00 0.00 58.65 57.02 2hg6 h GLN 70 Cb 0.60 -0.27 0.01 0.00 -0.05 0.00 0.00 27.48 27.77 2hg6 h GLN 70 CO 0.04 0.83 -0.57 0.82 -0.95 0.00 0.00 178.83 179.00 2hg6 h ILE 71 N 1.26 1.41 -0.14 2.54 2.04 -1.48 -3.32 117.51 119.81 2hg6 h ILE 71 Ca 0.33 -2.00 -0.10 0.00 1.00 0.00 0.00 64.86 64.10 2hg6 h ILE 71 Cb -0.11 2.47 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 2hg6 h ILE 71 CO -0.07 0.59 -0.35 -0.07 0.00 0.00 0.00 178.15 178.25 2hg6 h LEU 72 N -0.03 0.30 -1.64 1.44 3.38 -1.03 -2.78 115.31 114.95 2hg6 h LEU 72 Ca -0.06 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 2hg6 h LEU 72 Cb 1.26 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2hg6 h LEU 72 CO 0.11 0.63 -0.19 0.17 0.09 0.00 0.00 178.44 179.25 2hg6 h LEU 73 N 0.25 0.00 -1.29 1.67 8.10 -0.91 -1.30 115.31 121.83 2hg6 h LEU 73 Ca 0.03 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.95 2hg6 h LEU 73 Cb 0.73 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.94 2hg6 h LEU 73 CO 0.06 0.19 -0.34 -0.33 -4.11 0.00 0.00 178.44 173.91 2hg6 h GLU 74 N 0.00 0.00 0.15 0.17 4.39 -1.58 -2.90 114.58 114.80 2hg6 h GLU 74 Ca -0.00 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.36 2hg6 h GLU 74 Cb 0.46 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2hg6 h GLU 74 CO 0.03 0.34 -1.70 1.96 -1.16 0.00 0.00 179.01 178.47 2hg6 h GLN 75 N 0.00 0.31 -5.64 2.33 1.08 -1.45 -3.49 115.11 108.26 2hg6 h GLN 75 Ca -0.00 -0.53 -0.31 0.00 -1.45 0.00 0.00 58.65 56.36 2hg6 h GLN 75 Cb 0.66 0.20 0.17 0.00 -0.05 0.00 0.00 27.48 28.46 2hg6 h GLN 75 CO 0.04 1.20 -0.83 -1.71 -0.95 0.00 0.00 178.83 176.58 2hg6 n ASN 76 N -3.50 -4.29 -2.56 1.46 2.85 -0.57 -4.95 115.26 103.69 2hg6 n ASN 76 Ca -0.22 -0.71 -0.17 0.00 -0.11 0.00 0.00 54.58 53.37 2hg6 n ASN 76 Cb 1.06 -4.95 0.02 0.00 1.24 0.00 0.00 39.78 37.15 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 -3.73 1.67 -0.29 -1.44 -5.35 -1.26 -4.94 119.36 104.01 2hg6 n ILE 77 Ca -0.18 -3.92 0.05 0.00 -0.27 0.00 0.00 62.75 58.44 2hg6 n ILE 77 Cb 0.64 -0.22 0.20 0.00 -1.74 0.00 0.00 39.64 38.52 2hg6 n ILE 77 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2hg6 h ASN 78 N 2.76 0.60 0.95 7.28 -1.07 -1.92 0.37 115.58 124.55 2hg6 h ASN 78 Ca 0.09 0.07 -0.19 0.00 0.07 0.00 0.00 56.30 56.34 2hg6 h ASN 78 Cb 1.09 -0.04 -0.03 0.00 -2.07 0.00 0.00 38.32 37.27 2hg6 h ASN 78 CO 0.65 0.30 -0.90 -0.08 0.07 0.00 0.00 177.43 177.47 2hg6 h GLU 79 N 0.70 0.00 -0.27 4.14 4.81 -1.92 0.21 114.58 122.25 2hg6 h GLU 79 Ca 0.43 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.58 2hg6 h GLU 79 Cb 0.52 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 2hg6 h GLU 79 CO -0.31 0.90 -0.16 0.00 -0.73 0.00 0.00 179.01 178.71 2hg6 h ARG 80 N 0.00 0.59 0.00 1.92 3.08 -1.47 -3.14 114.38 115.36 2hg6 h ARG 80 Ca -0.01 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.77 2hg6 h ARG 80 Cb 1.62 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.66 2hg6 h ARG 80 CO 0.12 0.85 -0.35 1.25 -1.07 0.00 0.00 179.97 180.77 2hg6 h LEU 81 N 0.33 0.00 -0.27 3.04 7.12 -0.37 -3.48 115.31 121.67 2hg6 h LEU 81 Ca 0.06 -0.01 -0.05 0.00 0.13 0.00 0.00 57.88 58.00 2hg6 h LEU 81 Cb 0.69 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.83 2hg6 h LEU 81 CO 0.05 0.01 -0.08 0.59 -0.13 0.00 0.00 178.44 178.87 2hg6 n ASN 82 N -2.86 -2.09 -4.67 1.25 5.03 0.47 -3.87 115.26 108.52 2hg6 n ASN 82 Ca 0.03 -0.04 -0.42 0.00 0.87 0.00 0.00 54.58 55.02 2hg6 n ASN 82 Cb 0.53 -1.08 -0.03 0.00 -1.02 0.00 0.00 39.78 38.17 2hg6 n ASN 82 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 2hg6 n ILE 83 N -3.44 0.67 -1.34 2.41 -0.00 0.33 -4.85 119.36 113.15 2hg6 n ILE 83 Ca -0.02 -0.12 -0.34 0.00 -0.00 0.00 0.00 62.75 62.28 2hg6 n ILE 83 Cb 0.52 -2.27 0.10 0.00 -0.00 0.00 0.00 39.64 37.99 2hg6 n ILE 83 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 2hg6 s GLY 84 N 4.05 2.24 0.12 7.39 0.00 -1.26 -4.86 107.32 114.99 2hg6 s GLY 84 Ca 0.87 0.81 -0.19 0.00 0.00 0.00 0.00 44.72 46.21 2hg6 s GLY 84 CO 0.41 1.22 1.76 0.83 0.00 0.00 0.00 173.10 177.32 2hg6 h GLU 85 N -0.52 0.30 0.00 2.90 3.07 -1.99 -1.82 114.58 116.52 2hg6 h GLU 85 Ca -0.47 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 2hg6 h GLU 85 Cb 1.29 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 2hg6 h GLU 85 CO 0.49 0.22 0.00 -1.00 -1.40 0.00 0.00 179.01 177.32 2hg6 h PRO 86 N 0.28 0.00 0.00 2.33 0.13 -1.92 -1.41 132.00 131.41 2hg6 h PRO 86 Ca 0.08 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.08 2hg6 h PRO 86 Cb -0.01 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2hg6 h PRO 86 CO -0.02 0.00 -0.62 -0.07 -0.23 0.00 0.00 178.00 177.06 2hg6 h LEU 87 N 0.00 0.00 -0.07 1.56 -0.00 -1.62 -2.41 115.31 112.77 2hg6 h LEU 87 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.73 2hg6 h LEU 87 Cb 0.06 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.73 2hg6 h LEU 87 CO 0.00 0.62 -0.53 -0.07 -0.00 0.00 0.00 178.44 178.46 2hg6 h LEU 88 N 0.00 0.59 -1.24 1.67 4.07 -1.26 -3.20 115.31 115.94 2hg6 h LEU 88 Ca -0.01 -0.68 -0.07 0.00 0.08 0.00 0.00 57.88 57.21 2hg6 h LEU 88 Cb 1.11 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.66 2hg6 h LEU 88 CO 0.08 1.18 -0.18 -0.37 -1.08 0.00 0.00 178.44 178.07 2hg6 h VAL 89 N 0.04 1.22 -0.89 1.22 -1.51 -1.54 -1.43 116.25 113.36 2hg6 h VAL 89 Ca -0.05 -0.98 0.09 0.00 -1.23 0.00 0.00 66.70 64.53 2hg6 h VAL 89 Cb 1.20 1.28 -0.06 0.00 -2.13 0.00 0.00 31.29 31.57 2hg6 h VAL 89 CO 0.11 0.31 0.58 0.22 -1.23 0.00 0.00 177.57 177.55 2hg6 h TYR 90 N 0.28 0.98 -0.08 5.19 3.20 -1.47 -1.54 116.97 123.53 2hg6 h TYR 90 Ca 0.05 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.76 2hg6 h TYR 90 Cb 0.48 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 2hg6 h TYR 90 CO 0.01 0.47 -0.74 1.25 -1.64 0.00 0.00 178.16 177.52 2hg6 h LEU 91 N 0.93 0.53 0.38 2.82 7.12 -1.27 -2.65 115.31 123.16 2hg6 h LEU 91 Ca 0.40 -0.35 -0.01 0.00 0.13 0.00 0.00 57.88 58.05 2hg6 h LEU 91 Cb 0.34 -0.16 -0.00 0.00 -0.53 0.00 0.00 40.66 40.31 2hg6 h LEU 91 CO -0.17 1.09 -0.22 0.03 -0.13 0.00 0.00 178.44 179.05 2hg6 h ARG 92 N 0.30 -0.54 -1.00 1.25 2.47 -0.76 -3.42 114.38 112.67 2hg6 h ARG 92 Ca -0.03 0.04 0.04 0.00 -1.26 0.00 0.00 59.98 58.76 2hg6 h ARG 92 Cb 1.32 0.12 -0.21 0.00 -1.65 0.00 0.00 29.97 29.55 2hg6 h ARG 92 CO 0.13 -0.36 -0.36 0.50 0.56 0.00 0.00 179.97 180.43 2hg6 s ARG 93 N -6.10 0.56 0.16 0.04 3.00 -0.67 -5.12 118.95 110.83 2hg6 s ARG 93 Ca -0.16 0.63 -0.31 0.00 -1.00 0.00 0.00 55.73 54.89 2hg6 s ARG 93 Cb 0.05 0.30 -0.09 0.00 0.00 0.00 0.00 34.95 35.21 2hg6 s ARG 93 CO 0.64 -0.98 1.47 1.14 0.00 0.00 0.00 175.30 177.57 2hg6 s GLN 94 N 2.83 4.27 -0.15 5.12 0.00 -1.00 -4.67 119.66 126.07 2hg6 s GLN 94 Ca 0.12 2.23 -0.16 0.00 -0.00 0.00 0.00 55.36 57.55 2hg6 s GLN 94 Cb -0.11 -3.18 -0.13 0.00 0.00 0.00 0.00 33.01 29.58 2hg6 s GLN 94 CO -0.25 -0.49 0.27 0.22 0.00 0.00 0.00 175.29 175.04 2hg6 h ASP 95 N 6.44 0.00 -3.37 12.60 3.58 -1.93 -3.44 116.42 130.31 2hg6 h ASP 95 Ca -0.43 -0.45 -0.58 0.00 0.42 0.00 0.00 57.03 56.00 2hg6 h ASP 95 Cb 1.21 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 42.18 2hg6 h ASP 95 CO 0.87 0.94 -0.04 -0.76 -2.88 0.00 0.00 179.24 177.37 2hg6 s LEU 96 N -8.23 4.25 0.13 2.28 2.01 -1.26 -4.99 118.68 112.87 2hg6 s LEU 96 Ca -0.15 0.88 -0.21 0.00 0.01 0.00 0.00 54.13 54.66 2hg6 s LEU 96 Cb 0.01 -2.81 -0.01 0.00 0.01 0.00 0.00 46.19 43.39 2hg6 s LEU 96 CO 0.40 -0.09 1.68 -0.65 1.01 0.00 0.00 176.35 178.70 2hg6 h PRO 97 N 6.95 -0.08 -3.36 1.29 0.11 -2.01 -3.37 132.00 131.52 2hg6 h PRO 97 Ca -0.39 0.01 -0.54 0.00 0.11 0.00 0.00 66.00 65.19 2hg6 h PRO 97 Cb 1.17 0.02 -0.40 0.00 0.11 0.00 0.00 31.00 31.90 2hg6 h PRO 97 CO 0.76 -0.05 -0.76 -1.21 -0.21 0.00 0.00 178.00 176.52 2hg6 s GLU 98 N -6.18 0.55 -0.45 1.05 2.02 -1.26 -5.03 118.70 109.40 2hg6 s GLU 98 Ca -0.14 -0.69 -0.28 0.00 0.02 0.00 0.00 54.97 53.88 2hg6 s GLU 98 Cb 0.11 -1.84 -0.00 0.00 0.10 0.00 0.00 34.13 32.50 2hg6 s GLU 98 CO 0.68 -0.86 1.58 0.42 0.02 0.00 0.00 175.26 177.10 2hg6 s ILE 99 N 1.83 3.69 -0.09 -1.63 1.01 -1.26 -4.86 121.20 119.88 2hg6 s ILE 99 Ca 0.06 0.65 -0.12 0.00 0.00 0.00 0.00 60.65 61.24 2hg6 s ILE 99 Cb -0.17 -4.07 -0.05 0.00 0.01 0.00 0.00 42.46 38.19 2hg6 s ILE 99 CO -0.21 -0.77 0.27 0.42 0.00 0.00 0.00 174.94 174.65 2hg6 s THR 100 N 6.44 5.28 -0.10 2.92 -4.23 -1.26 -0.14 115.64 124.55 2hg6 s THR 100 Ca 0.65 0.52 0.04 0.00 -1.18 0.00 0.00 61.69 61.72 2hg6 s THR 100 Cb -0.15 -3.57 0.00 0.00 1.34 0.00 0.00 72.50 70.12 2hg6 s THR 100 CO 0.30 0.55 -0.23 0.00 -0.54 0.00 0.00 174.62 174.69 2hg6 s ALA 101 N -0.67 2.12 0.01 3.99 0.00 0.13 -4.96 121.76 122.37 2hg6 s ALA 101 Ca 0.18 -0.94 -0.19 0.00 0.00 0.00 0.00 51.96 51.01 2hg6 s ALA 101 Cb -0.14 -0.81 0.04 0.00 0.00 0.00 0.00 23.12 22.21 2hg6 s ALA 101 CO 0.07 0.26 0.42 1.14 0.00 0.00 0.00 175.76 177.65 2hg6 s GLN 102 N 0.39 0.85 -0.19 0.00 -2.07 -1.26 -0.73 119.66 116.65 2hg6 s GLN 102 Ca -0.18 -0.19 -0.32 0.00 -1.82 0.00 0.00 55.36 52.85 2hg6 s GLN 102 Cb -0.18 0.38 -0.09 0.00 -1.09 0.00 0.00 33.01 32.03 2hg6 s GLN 102 CO 0.08 -0.27 2.08 -2.13 -1.32 0.00 0.00 175.29 173.73 2hg6 n ARG 103 N 0.86 1.89 -1.74 9.60 0.63 -1.26 -4.89 116.66 121.74 2hg6 n ARG 103 Ca -0.20 0.61 -0.40 0.00 -0.92 0.00 0.00 57.85 56.94 2hg6 n ARG 103 Cb 0.58 -2.82 0.03 0.00 0.45 0.00 0.00 32.46 30.70 2hg6 n ARG 103 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2hg6 n GLN 104 N 7.79 1.98 0.04 -0.14 10.64 -1.26 -4.92 117.38 131.51 2hg6 n GLN 104 Ca 0.29 0.71 -0.16 0.00 -1.83 0.00 0.00 57.00 56.01 2hg6 n GLN 104 Cb 0.34 -2.56 -0.07 0.00 -0.86 0.00 0.00 30.24 27.08 2hg6 n GLN 104 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 2hg6 h LEU 105 N 1.92 0.74 -1.27 2.61 5.85 -2.08 -3.57 115.31 119.52 2hg6 h LEU 105 Ca -0.50 -0.57 0.00 0.00 0.84 0.00 0.00 57.88 57.65 2hg6 h LEU 105 Cb 1.29 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.09 2hg6 h LEU 105 CO 0.59 1.36 0.00 0.54 -0.34 0.00 0.00 178.44 180.60