#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 6.74 0.35 6.12 0.01 -1.26 -4.88 113.70 120.77 2hg6 s SER 2 Ca 0.00 2.42 -0.27 0.00 1.31 0.00 0.00 55.95 59.41 2hg6 s SER 2 Cb 0.00 -2.63 -0.09 0.00 0.21 0.00 0.00 66.02 63.51 2hg6 s SER 2 CO 0.00 -0.53 1.18 -0.63 0.41 0.00 0.00 173.24 173.67 2hg6 s ILE 3 N -1.29 3.14 0.53 1.44 -1.09 -1.26 -4.94 121.20 117.73 2hg6 s ILE 3 Ca 0.52 1.06 0.07 0.00 -2.23 0.00 0.00 60.65 60.08 2hg6 s ILE 3 Cb -0.33 -3.64 0.06 0.00 -1.58 0.00 0.00 42.46 36.96 2hg6 s ILE 3 CO 0.43 0.19 0.73 0.42 -1.23 0.00 0.00 174.94 175.48 2hg6 s THR 4 N -1.27 2.51 0.00 2.92 -4.23 -1.26 -5.12 115.64 109.18 2hg6 s THR 4 Ca 0.51 -0.91 0.00 0.00 -1.18 0.00 0.00 61.69 60.11 2hg6 s THR 4 Cb -0.33 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 70.91 2hg6 s THR 4 CO 0.43 0.00 0.00 -1.20 -0.54 0.00 0.00 174.62 173.31 2hg6 n SER 5 N -2.18 0.00 0.33 3.99 7.64 -1.26 -4.78 113.62 117.36 2hg6 n SER 5 Ca 0.12 -0.47 0.09 0.00 1.01 0.00 0.00 58.87 59.63 2hg6 n SER 5 Cb 0.60 0.00 0.49 0.00 -1.01 0.00 0.00 64.21 64.29 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 -0.45 0.00 -0.98 0.44 2.02 -2.03 0.78 112.91 112.69 2hg6 h THR 6 Ca 0.00 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.46 2hg6 h THR 6 Cb 0.00 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 66.76 2hg6 h THR 6 CO 0.00 0.00 0.70 0.44 0.37 0.00 0.00 175.52 177.03 2hg6 h ASP 7 N 0.00 0.04 -0.57 4.18 5.19 -2.00 0.95 116.42 124.21 2hg6 h ASP 7 Ca 0.00 0.01 0.05 0.00 -0.62 0.00 0.00 57.03 56.47 2hg6 h ASP 7 Cb 1.22 -0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.69 2hg6 h ASP 7 CO -0.00 0.01 0.38 -0.29 -3.12 0.00 0.00 179.24 176.22 2hg6 h ILE 8 N 0.04 1.03 -0.10 0.35 2.10 -1.14 0.13 117.51 119.92 2hg6 h ILE 8 Ca 0.47 -0.20 -0.23 0.00 1.08 0.00 0.00 64.86 65.98 2hg6 h ILE 8 Cb 1.83 0.38 0.01 0.00 -1.09 0.00 0.00 36.82 37.95 2hg6 h ILE 8 CO -0.03 0.11 -0.85 0.00 -1.08 0.00 0.00 178.15 176.30 2hg6 h GLN 10 N 0.48 0.52 0.00 0.00 1.08 -1.28 -3.04 115.11 112.87 2hg6 h GLN 10 Ca -0.07 -0.46 0.00 0.00 -1.45 0.00 0.00 58.65 56.66 2hg6 h GLN 10 Cb 1.49 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 29.03 2hg6 h GLN 10 CO 0.17 1.10 0.00 0.00 -0.95 0.00 0.00 178.83 179.15 2hg6 h ALA 11 N 0.76 1.00 0.00 3.87 0.00 -0.84 -0.84 119.26 123.22 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 1.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2hg6 h ALA 11 CO 0.15 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.40 2hg6 h ALA 12 N 2.02 1.00 -0.00 0.00 0.00 -1.55 -2.15 119.26 118.57 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 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2hg6 h ALA 12 CO 0.00 0.00 -0.66 -3.47 0.00 0.00 0.00 179.25 175.12 2hg6 n ASP 13 N -2.56 0.87 -0.01 0.00 2.03 -0.32 -3.84 116.55 112.71 2hg6 n ASP 13 Ca 0.02 -0.70 0.14 0.00 0.52 0.00 0.00 54.79 54.77 2hg6 n ASP 13 Cb 0.27 0.53 0.63 0.00 -0.72 0.00 0.00 41.12 41.83 2hg6 n ASP 13 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2hg6 n ALA 14 N -1.29 2.52 -1.92 -1.67 0.00 -0.81 -4.80 120.51 112.54 2hg6 n ALA 14 Ca 0.06 -0.15 -0.41 0.00 0.00 0.00 0.00 53.44 52.94 2hg6 n ALA 14 Cb 0.35 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 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 -2.82 4.42 -0.03 0.00 1.43 -1.25 -4.97 118.68 115.46 2hg6 s LEU 15 Ca 0.20 2.51 0.02 0.00 -1.03 0.00 0.00 54.13 55.83 2hg6 s LEU 15 Cb 0.19 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.80 2hg6 s LEU 15 CO 0.52 -0.56 -0.08 -1.59 0.23 0.00 0.00 176.35 174.87 2hg6 s LYS 16 N -0.52 0.96 0.00 1.70 -2.85 -1.10 -3.89 119.74 114.03 2hg6 s LYS 16 Ca 0.55 -0.25 0.00 0.00 -1.00 0.00 0.00 55.97 55.28 2hg6 s LYS 16 Cb -0.38 -0.89 0.00 0.00 -2.06 0.00 0.00 37.83 34.49 2hg6 s LYS 16 CO 0.42 0.05 0.00 0.41 0.10 0.00 0.00 175.35 176.33 2hg6 n GLY 17 N 3.53 3.29 3.48 0.59 0.00 -1.26 -4.57 105.19 110.25 2hg6 n GLY 17 Ca -0.20 -1.84 -0.33 0.00 0.00 0.00 0.00 46.02 43.65 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 -2.16 2.79 -0.22 1.61 0.08 0.70 -0.20 117.98 120.58 2hg6 s PHE 18 Ca 0.00 -0.23 -0.07 0.00 0.12 0.00 0.00 56.93 56.75 2hg6 s PHE 18 Cb 0.00 -1.71 -0.03 0.00 -0.57 0.00 0.00 43.02 40.71 2hg6 s PHE 18 CO 0.00 0.12 0.06 0.08 -0.10 0.00 0.00 175.22 175.38 2hg6 s VAL 19 N -0.47 4.46 0.12 -0.44 1.01 0.81 0.24 120.40 126.14 2hg6 s VAL 19 Ca 0.06 -0.13 -0.03 0.00 0.00 0.00 0.00 61.98 61.87 2hg6 s VAL 19 Cb -0.12 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 2hg6 s VAL 19 CO 0.02 0.39 0.11 -0.83 0.00 0.00 0.00 175.10 174.79 2hg6 s GLY 20 N 1.06 0.71 -0.32 4.51 0.00 0.55 -0.69 107.32 113.15 2hg6 s GLY 20 Ca 0.04 -1.22 -0.14 0.00 0.00 0.00 0.00 44.72 43.40 2hg6 s GLY 20 CO 0.03 -1.19 0.30 -0.12 0.00 0.00 0.00 173.10 172.12 2hg6 s PHE 21 N -3.99 3.22 -0.26 1.90 5.36 -1.16 -0.48 117.98 122.57 2hg6 s PHE 21 Ca 0.18 -0.01 -0.19 0.00 -0.96 0.00 0.00 56.93 55.95 2hg6 s PHE 21 Cb 0.06 -2.56 -0.02 0.00 -0.34 0.00 0.00 43.02 40.17 2hg6 s PHE 21 CO -0.02 -0.35 0.58 1.21 -1.46 0.00 0.00 175.22 175.19 2hg6 s ASN 22 N 1.72 6.51 0.27 6.13 3.84 -0.60 -4.85 114.94 127.97 2hg6 s ASN 22 Ca 0.10 0.61 0.25 0.00 0.21 0.00 0.00 52.86 54.03 2hg6 s ASN 22 Cb -0.17 -2.31 0.74 0.00 -0.55 0.00 0.00 41.25 38.96 2hg6 s ASN 22 CO 0.11 -0.34 1.74 0.08 -2.79 0.00 0.00 177.10 175.90 2hg6 h ARG 23 N 7.97 0.00 0.21 0.43 0.11 -1.86 0.21 114.38 121.45 2hg6 h ARG 23 Ca -0.28 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.79 2hg6 h ARG 23 Cb 1.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.21 2hg6 h ARG 23 CO 0.75 0.00 -0.10 -0.22 0.10 0.00 0.00 179.97 180.50 2hg6 h LYS 24 N 0.00 -0.27 0.00 0.08 1.63 -1.93 -3.27 116.57 112.81 2hg6 h LYS 24 Ca 0.00 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 2hg6 h LYS 24 Cb 0.76 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.45 2hg6 h LYS 24 CO 0.00 0.10 -0.35 0.00 -3.45 0.00 0.00 179.45 175.75 2hg6 h THR 25 N -0.92 0.00 -0.65 1.00 1.03 -2.00 -3.47 112.91 107.90 2hg6 h THR 25 Ca -0.03 -0.54 -0.19 0.00 -0.01 0.00 0.00 66.41 65.64 2hg6 h THR 25 Cb 0.49 1.32 -0.06 0.00 -1.07 0.00 0.00 68.15 68.83 2hg6 h THR 25 CO 0.05 0.00 -0.19 0.61 -0.01 0.00 0.00 175.52 175.98 2hg6 n GLY 26 N 1.30 0.82 3.58 2.99 0.00 0.72 -5.01 105.19 109.59 2hg6 n GLY 26 Ca 0.04 -0.59 -0.25 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.18 2.08 -0.50 1.61 1.81 -1.04 -4.94 118.95 114.79 2hg6 s ARG 27 Ca 0.00 -1.36 -0.18 0.00 -1.72 0.00 0.00 55.73 52.47 2hg6 s ARG 27 Cb 0.00 -2.12 0.06 0.00 -0.45 0.00 0.00 34.95 32.44 2hg6 s ARG 27 CO 0.00 0.41 0.55 -0.47 -0.68 0.00 0.00 175.30 175.10 2hg6 s TYR 28 N -1.94 3.12 0.49 -0.53 5.04 -1.26 -1.56 117.35 120.70 2hg6 s TYR 28 Ca 0.27 -0.68 0.02 0.00 -2.44 0.00 0.00 57.07 54.24 2hg6 s TYR 28 Cb -0.08 -3.42 -0.01 0.00 0.35 0.00 0.00 41.96 38.80 2hg6 s TYR 28 CO 0.16 -0.96 0.04 0.96 -1.34 0.00 0.00 175.55 174.41 2hg6 s ILE 29 N 2.29 0.99 0.07 3.14 -5.25 0.37 -4.91 121.20 117.90 2hg6 s ILE 29 Ca 0.11 -2.00 0.04 0.00 -0.99 0.00 0.00 60.65 57.81 2hg6 s ILE 29 Cb -0.21 -2.20 -0.04 0.00 2.95 0.00 0.00 42.46 42.96 2hg6 s ILE 29 CO 0.10 0.00 0.03 0.68 -1.79 0.00 0.00 174.94 173.95 2hg6 s VAL 30 N -2.97 4.21 -0.18 8.37 -7.23 -1.26 -0.33 120.40 121.02 2hg6 s VAL 30 Ca 0.10 -0.84 -0.11 0.00 -1.81 0.00 0.00 61.98 59.32 2hg6 s VAL 30 Cb 0.02 -2.99 0.06 0.00 0.56 0.00 0.00 36.38 34.03 2hg6 s VAL 30 CO 0.06 0.17 0.44 -0.60 -0.31 0.00 0.00 175.10 174.86 2hg6 s ARG 31 N -2.18 0.44 0.02 4.82 6.06 0.14 -4.93 118.95 123.32 2hg6 s ARG 31 Ca 0.26 0.79 0.10 0.00 -2.50 0.00 0.00 55.73 54.37 2hg6 s ARG 31 Cb -0.12 0.05 -0.22 0.00 0.06 0.00 0.00 34.95 34.71 2hg6 s ARG 31 CO 0.18 -0.14 0.91 0.35 -2.50 0.00 0.00 175.30 174.10 2hg6 h PHE 32 N 6.76 0.02 -3.56 5.12 3.57 -1.94 0.20 116.94 127.10 2hg6 h PHE 32 Ca -0.34 -0.01 -0.57 0.00 3.53 0.00 0.00 57.97 60.57 2hg6 h PHE 32 Cb 1.19 -0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.85 2hg6 h PHE 32 CO 0.26 1.02 0.82 -1.12 -2.23 0.00 0.00 178.31 177.06 2hg6 s SER 33 N -6.36 6.71 0.37 0.41 0.01 -1.26 -4.69 113.70 108.89 2hg6 s SER 33 Ca -0.03 0.62 0.16 0.00 1.31 0.00 0.00 55.95 58.01 2hg6 s SER 33 Cb 0.09 -2.53 0.74 0.00 0.21 0.00 0.00 66.02 64.53 2hg6 s SER 33 CO 0.82 -1.07 1.79 -0.08 0.41 0.00 0.00 173.24 175.12 2hg6 h GLU 34 N 8.78 0.00 0.00 12.44 4.22 -2.00 -2.84 114.58 135.18 2hg6 h GLU 34 Ca -0.22 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.22 2hg6 h GLU 34 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2hg6 h GLU 34 CO 1.07 0.38 0.00 -3.47 -2.18 0.00 0.00 179.01 174.81 2hg6 n ASP 35 N -3.83 0.41 -2.77 1.04 2.03 -1.26 -3.81 116.55 108.35 2hg6 n ASP 35 Ca -0.01 0.66 -0.25 0.00 0.52 0.00 0.00 54.79 55.71 2hg6 n ASP 35 Cb 0.45 -0.72 -0.08 0.00 -0.72 0.00 0.00 41.12 40.05 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 -2.02 6.46 -2.76 1.67 7.64 -1.07 -4.77 113.62 118.77 2hg6 n SER 36 Ca 0.00 -2.45 -0.14 0.00 1.01 0.00 0.00 58.87 57.30 2hg6 n SER 36 Cb 0.08 -1.36 -0.04 0.00 -1.01 0.00 0.00 64.21 61.88 2hg6 n SER 36 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 2hg6 n PHE 37 N 3.26 -1.11 0.00 1.43 -1.74 -1.25 -4.95 117.46 113.10 2hg6 n PHE 37 Ca 0.57 -2.12 0.00 0.00 -0.56 0.00 0.00 57.45 55.34 2hg6 n PHE 37 Cb 0.45 0.40 0.00 0.00 1.52 0.00 0.00 39.48 41.86 2hg6 n PHE 37 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2hg6 n GLY 38 N -0.51 -0.37 0.08 4.97 0.00 -1.23 -4.89 105.19 103.23 2hg6 n GLY 38 Ca 0.02 0.33 0.01 0.00 0.00 0.00 0.00 46.02 46.39 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 0.65 0.03 1.61 0.00 -1.26 -4.05 117.12 114.10 2hg6 n MET 39 Ca 0.00 0.06 0.12 0.00 0.00 0.00 0.00 57.70 57.88 2hg6 n MET 39 Cb 0.00 -1.67 0.21 0.00 0.00 0.00 0.00 33.22 31.76 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 -2.69 0.58 -4.09 3.17 8.00 -1.26 -4.73 116.55 115.53 2hg6 n ASP 40 Ca -0.13 -0.06 -0.33 0.00 0.71 0.00 0.00 54.79 54.98 2hg6 n ASP 40 Cb 0.83 0.23 -0.15 0.00 -0.02 0.00 0.00 41.12 42.02 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 -3.09 2.34 0.21 2.53 1.01 -1.26 -4.62 120.40 117.52 2hg6 s VAL 41 Ca 0.08 -1.62 -0.30 0.00 0.00 0.00 0.00 61.98 60.14 2hg6 s VAL 41 Cb 0.16 -2.38 -0.09 0.00 0.00 0.00 0.00 36.38 34.06 2hg6 s VAL 41 CO 0.71 -0.07 1.30 0.00 0.00 0.00 0.00 175.10 177.05 2hg6 s ALA 42 N 1.12 3.52 0.37 5.51 0.00 -1.26 -3.56 121.76 127.46 2hg6 s ALA 42 Ca -0.07 1.12 0.13 0.00 0.00 0.00 0.00 51.96 53.13 2hg6 s ALA 42 Cb -0.20 -3.48 0.71 0.00 0.00 0.00 0.00 23.12 20.15 2hg6 s ALA 42 CO -0.04 -0.53 1.82 0.38 0.00 0.00 0.00 175.76 177.38 2hg6 h ASP 43 N 5.15 0.00 0.71 0.00 2.03 -1.96 -2.16 116.42 120.18 2hg6 h ASP 43 Ca -0.45 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 55.81 2hg6 h ASP 43 Cb 1.22 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.71 2hg6 h ASP 43 CO 0.76 0.38 -0.20 -2.24 -1.03 0.00 0.00 179.24 176.91 2hg6 h ASP 44 N 0.00 0.00 -0.38 4.15 2.03 -2.03 -2.58 116.42 117.61 2hg6 h ASP 44 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2hg6 h ASP 44 Cb 0.68 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.18 2hg6 h ASP 44 CO 0.05 0.20 0.00 -1.20 -1.03 0.00 0.00 179.24 177.26 2hg6 n SER 45 N -3.49 2.28 -4.23 4.15 7.64 -0.81 -4.63 113.62 114.53 2hg6 n SER 45 Ca -0.01 -2.07 -0.38 0.00 1.01 0.00 0.00 58.87 57.43 2hg6 n SER 45 Cb 0.36 -0.31 -0.12 0.00 -1.01 0.00 0.00 64.21 63.14 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 -1.54 3.72 -0.21 0.44 1.01 -0.97 -2.98 121.20 120.66 2hg6 s ILE 46 Ca 0.26 -1.41 0.01 0.00 0.00 0.00 0.00 60.65 59.51 2hg6 s ILE 46 Cb 0.15 -3.24 0.03 0.00 0.01 0.00 0.00 42.46 39.41 2hg6 s ILE 46 CO 0.16 -0.36 -0.16 -0.89 0.00 0.00 0.00 174.94 173.70 2hg6 s THR 47 N 1.34 2.24 0.21 2.92 2.01 0.14 -4.93 115.64 119.57 2hg6 s THR 47 Ca 0.01 -1.08 -0.32 0.00 0.31 0.00 0.00 61.69 60.61 2hg6 s THR 47 Cb -0.21 -2.05 -0.14 0.00 0.01 0.00 0.00 72.50 70.11 2hg6 s THR 47 CO 0.01 0.37 1.49 -2.65 -0.69 0.00 0.00 174.62 173.16 2hg6 n PRO 48 N 4.59 2.12 0.32 4.92 -0.02 -1.26 -0.13 135.00 145.54 2hg6 n PRO 48 Ca -0.19 0.76 0.21 0.00 -2.02 0.00 0.00 63.50 62.26 2hg6 n PRO 48 Cb 0.48 -2.47 1.07 0.00 -0.02 0.00 0.00 33.50 32.56 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 3.32 0.05 0.00 3.45 1.03 -0.90 0.26 112.91 120.13 2hg6 h THR 49 Ca -0.45 -0.14 -0.02 0.00 -0.01 0.00 0.00 66.41 65.79 2hg6 h THR 49 Cb 1.26 1.13 -0.00 0.00 -1.07 0.00 0.00 68.15 69.47 2hg6 h THR 49 CO 0.82 0.01 -0.11 0.28 -0.01 0.00 0.00 175.52 176.51 2hg6 h SER 50 N 0.00 0.00 0.00 0.00 0.02 -1.77 -3.08 113.55 108.71 2hg6 h SER 50 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2hg6 h SER 50 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2hg6 h SER 50 CO 0.00 0.11 -1.05 1.21 -1.14 0.00 0.00 176.83 175.96 2hg6 n GLU 51 N -3.53 0.86 -0.31 3.45 2.13 0.17 -4.60 120.64 118.80 2hg6 n GLU 51 Ca -0.02 -0.03 -0.00 0.00 0.66 0.00 0.00 57.16 57.77 2hg6 n GLU 51 Cb 0.25 -1.04 0.18 0.00 0.27 0.00 0.00 31.44 31.10 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 1.12 0.00 4.31 3.57 -0.51 -1.00 116.94 124.43 2hg6 h PHE 52 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2hg6 h PHE 52 Cb 0.17 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.53 2hg6 h PHE 52 CO 0.00 0.69 0.00 1.33 -2.23 0.00 0.00 178.31 178.10 2hg6 n VAL 53 N -4.41 0.57 -3.56 1.41 0.24 -1.24 -4.60 118.33 106.74 2hg6 n VAL 53 Ca 0.11 0.12 -0.39 0.00 -2.04 0.00 0.00 64.34 62.14 2hg6 n VAL 53 Cb 0.05 -0.79 -0.11 0.00 -1.47 0.00 0.00 33.84 31.52 2hg6 n VAL 53 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 2hg6 s TRP 54 N -3.02 3.22 -0.30 6.34 0.52 -0.38 -0.96 118.94 124.36 2hg6 s TRP 54 Ca 0.10 -0.14 -0.23 0.00 0.02 0.00 0.00 56.10 55.85 2hg6 s TRP 54 Cb 0.13 -2.44 -0.00 0.00 -1.15 0.00 0.00 33.47 30.02 2hg6 s TRP 54 CO 0.39 -0.31 0.77 -1.12 0.02 0.00 0.00 176.95 176.71 2hg6 s SER 55 N 1.73 6.66 -0.36 2.95 0.01 0.10 -4.90 113.70 119.90 2hg6 s SER 55 Ca 0.06 0.68 -0.29 0.00 1.31 0.00 0.00 55.95 57.71 2hg6 s SER 55 Cb -0.17 -2.40 0.02 0.00 0.21 0.00 0.00 66.02 63.68 2hg6 s SER 55 CO 0.10 -0.59 1.09 -0.94 0.41 0.00 0.00 173.24 173.32 2hg6 s SER 56 N 1.59 6.86 -0.01 2.44 1.04 -1.26 -1.84 113.70 122.52 2hg6 s SER 56 Ca 0.32 0.92 0.15 0.00 0.48 0.00 0.00 55.95 57.81 2hg6 s SER 56 Cb -0.14 -2.54 -0.20 0.00 0.10 0.00 0.00 66.02 63.23 2hg6 s SER 56 CO 0.12 -0.97 0.43 1.33 0.98 0.00 0.00 173.24 175.12 2hg6 n VAL 57 N 6.10 0.00 0.00 5.02 0.24 -1.23 -4.93 118.33 123.53 2hg6 n VAL 57 Ca 0.12 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 2hg6 n VAL 57 Cb 0.48 0.47 0.00 0.00 -1.47 0.00 0.00 33.84 33.32 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 -1.76 0.00 0.00 7.34 5.12 -1.19 -5.03 116.66 121.13 2hg6 n ARG 58 Ca -0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 2hg6 n ARG 58 Cb 0.32 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.62 2hg6 n ARG 58 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2hg6 n ASP 59 N -1.69 0.00 0.05 0.55 2.03 -1.26 -4.90 116.55 111.32 2hg6 n ASP 59 Ca 0.00 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.15 2hg6 n ASP 59 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 2hg6 n ASP 59 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2hg6 h ASP 60 N 0.00 0.71 -3.52 1.67 1.82 -1.98 -3.43 116.42 111.69 2hg6 h ASP 60 Ca 0.00 -0.55 -0.61 0.00 -0.39 0.00 0.00 57.03 55.48 2hg6 h ASP 60 Cb 0.00 -0.22 -0.14 0.00 0.68 0.00 0.00 39.33 39.66 2hg6 h ASP 60 CO 0.00 1.34 -0.45 -0.69 -1.61 0.00 0.00 179.24 177.84 2hg6 s VAL 61 N -3.36 5.34 0.03 2.25 1.01 -1.26 -2.16 120.40 122.24 2hg6 s VAL 61 Ca -0.08 0.28 0.04 0.00 0.00 0.00 0.00 61.98 62.22 2hg6 s VAL 61 Cb 0.08 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 2hg6 s VAL 61 CO 0.89 0.34 -0.12 -0.04 0.00 0.00 0.00 175.10 176.17 2hg6 s MET 62 N 1.01 0.81 0.01 2.72 -1.94 -0.29 -3.19 119.30 118.43 2hg6 s MET 62 Ca 0.10 -0.64 0.06 0.00 -1.71 0.00 0.00 55.69 53.50 2hg6 s MET 62 Cb -0.13 -0.77 -0.03 0.00 2.01 0.00 0.00 34.83 35.90 2hg6 s MET 62 CO 0.04 0.19 -0.16 -0.98 -0.01 0.00 0.00 175.02 174.11 2hg6 s ARG 63 N -0.95 2.25 -0.32 2.03 1.70 -0.76 0.04 118.95 122.93 2hg6 s ARG 63 Ca 0.00 -0.87 -0.23 0.00 -0.47 0.00 0.00 55.73 54.16 2hg6 s ARG 63 Cb -0.07 -2.28 0.00 0.00 -0.57 0.00 0.00 34.95 32.04 2hg6 s ARG 63 CO 0.01 0.57 0.79 -1.17 -1.08 0.00 0.00 175.30 174.41 2hg6 s LEU 64 N -1.25 4.09 -0.24 -1.89 1.98 0.28 0.03 118.68 121.68 2hg6 s LEU 64 Ca 0.14 0.58 -0.17 0.00 -2.89 0.00 0.00 54.13 51.79 2hg6 s LEU 64 Cb -0.11 -3.06 -0.03 0.00 0.66 0.00 0.00 46.19 43.65 2hg6 s LEU 64 CO 0.04 -0.65 0.48 -0.83 -1.89 0.00 0.00 176.35 173.51 2hg6 s GLY 65 N 1.68 1.93 0.18 7.98 0.00 -0.14 -4.65 107.32 114.30 2hg6 s GLY 65 Ca 0.32 -0.58 -0.04 0.00 0.00 0.00 0.00 44.72 44.42 2hg6 s GLY 65 CO 0.14 1.11 1.50 3.21 0.00 0.00 0.00 173.10 179.05 2hg6 h ARG 66 N 7.82 0.62 -0.11 2.90 3.08 -1.95 -3.09 114.38 123.66 2hg6 h ARG 66 Ca -0.31 -0.38 0.03 0.00 0.07 0.00 0.00 59.98 59.39 2hg6 h ARG 66 Cb 1.15 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.23 2hg6 h ARG 66 CO 0.71 0.99 0.16 0.93 -1.07 0.00 0.00 179.97 181.69 2hg6 h GLU 67 N 0.48 0.00 -0.60 0.04 5.08 -1.98 0.50 114.58 118.10 2hg6 h GLU 67 Ca 0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2hg6 h GLU 67 Cb 1.07 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 2hg6 h GLU 67 CO 0.10 0.00 0.27 1.96 -1.00 0.00 0.00 179.01 180.35 2hg6 h GLN 68 N 0.00 0.88 0.00 2.33 1.08 -1.91 -2.13 115.11 115.36 2hg6 h GLN 68 Ca 0.05 -0.14 -0.10 0.00 -1.45 0.00 0.00 58.65 57.01 2hg6 h GLN 68 Cb 0.37 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 2hg6 h GLN 68 CO -0.00 0.73 -0.47 -0.07 -0.95 0.00 0.00 178.83 178.07 2hg6 h LEU 69 N 0.83 0.00 -1.54 1.46 3.38 -1.06 -2.22 115.31 116.16 2hg6 h LEU 69 Ca 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 2hg6 h LEU 69 Cb 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2hg6 h LEU 69 CO -0.02 0.47 -0.09 1.56 0.09 0.00 0.00 178.44 180.44 2hg6 h GLN 70 N 0.00 0.00 -0.02 1.13 4.20 -1.14 -0.64 115.11 118.64 2hg6 h GLN 70 Ca -0.00 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.47 2hg6 h GLN 70 Cb 0.90 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.68 2hg6 h GLN 70 CO 0.06 0.09 -0.93 0.82 -0.67 0.00 0.00 178.83 178.20 2hg6 h ILE 71 N 0.00 1.35 -0.00 2.54 2.04 -0.85 -3.33 117.51 119.25 2hg6 h ILE 71 Ca -0.00 -2.32 -0.17 0.00 1.00 0.00 0.00 64.86 63.37 2hg6 h ILE 71 Cb 0.52 2.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.92 2hg6 h ILE 71 CO 0.01 0.70 -0.80 -0.07 0.00 0.00 0.00 178.15 178.00 2hg6 h LEU 72 N 0.31 0.08 -2.08 1.44 3.38 -1.11 -3.06 115.31 114.27 2hg6 h LEU 72 Ca -0.09 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2hg6 h LEU 72 Cb 1.57 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.29 2hg6 h LEU 72 CO 0.17 0.84 -0.07 0.17 0.09 0.00 0.00 178.44 179.64 2hg6 h LEU 73 N 0.04 0.00 -1.55 1.67 8.10 -1.27 -1.56 115.31 120.73 2hg6 h LEU 73 Ca -0.02 0.00 0.09 0.00 0.11 0.00 0.00 57.88 58.06 2hg6 h LEU 73 Cb 1.40 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 41.58 2hg6 h LEU 73 CO 0.11 0.07 0.43 -0.33 -4.11 0.00 0.00 178.44 174.61 2hg6 h GLU 74 N 0.00 0.50 0.11 0.17 4.39 -1.67 -1.88 114.58 116.19 2hg6 h GLU 74 Ca -0.00 -0.03 -0.33 0.00 0.34 0.00 0.00 59.36 59.34 2hg6 h GLU 74 Cb 0.27 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 2hg6 h GLU 74 CO 0.01 0.33 -1.77 1.96 -1.16 0.00 0.00 179.01 178.38 2hg6 h GLN 75 N 0.51 0.23 0.00 2.33 7.50 -1.51 -3.48 115.11 120.70 2hg6 h GLN 75 Ca 0.29 -0.39 0.00 0.00 0.50 0.00 0.00 58.65 59.05 2hg6 h GLN 75 Cb 0.47 0.15 0.00 0.00 0.05 0.00 0.00 27.48 28.14 2hg6 h GLN 75 CO -0.09 1.07 0.00 -1.71 -1.50 0.00 0.00 178.83 176.60 2hg6 n ASN 76 N -3.41 -3.19 -3.95 1.46 2.85 -0.71 -4.91 115.26 103.41 2hg6 n ASN 76 Ca -0.23 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 53.81 2hg6 n ASN 76 Cb 1.05 -1.53 0.00 0.00 1.24 0.00 0.00 39.78 40.55 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 -2.46 4.00 -0.30 -1.44 -6.64 -1.26 -4.76 119.36 106.51 2hg6 n ILE 77 Ca 0.00 -3.94 -0.02 0.00 -1.77 0.00 0.00 62.75 57.02 2hg6 n ILE 77 Cb 0.15 -2.45 0.16 0.00 -1.44 0.00 0.00 39.64 36.05 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 6.14 1.03 0.92 7.28 4.21 -1.93 -2.04 115.58 131.19 2hg6 h ASN 78 Ca 0.45 -0.05 -0.15 0.00 1.21 0.00 0.00 56.30 57.76 2hg6 h ASN 78 Cb 0.68 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 37.60 2hg6 h ASN 78 CO 1.66 0.78 -0.70 -0.33 -1.29 0.00 0.00 177.43 177.55 2hg6 h GLU 79 N 1.19 0.00 0.26 0.81 5.08 -1.93 0.13 114.58 120.12 2hg6 h GLU 79 Ca 0.31 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 2hg6 h GLU 79 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2hg6 h GLU 79 CO -0.06 0.70 -0.13 -0.09 -1.00 0.00 0.00 179.01 178.43 2hg6 h ARG 80 N 0.00 -0.34 0.00 2.33 2.43 -1.81 -3.30 114.38 113.69 2hg6 h ARG 80 Ca -0.01 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2hg6 h ARG 80 Cb 1.35 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.97 2hg6 h ARG 80 CO 0.09 0.02 -0.53 1.25 -1.51 0.00 0.00 179.97 179.29 2hg6 h LEU 81 N -0.82 0.00 -2.51 3.80 5.85 -1.47 -3.49 115.31 116.68 2hg6 h LEU 81 Ca -0.04 -0.15 -0.14 0.00 0.84 0.00 0.00 57.88 58.39 2hg6 h LEU 81 Cb 0.51 0.00 0.10 0.00 0.37 0.00 0.00 40.66 41.64 2hg6 h LEU 81 CO 0.06 0.08 -0.45 0.59 -0.34 0.00 0.00 178.44 178.38 2hg6 n ASN 82 N -2.23 -3.93 -4.69 1.25 5.03 0.36 -2.71 115.26 108.35 2hg6 n ASN 82 Ca 0.03 -0.37 -0.42 0.00 0.87 0.00 0.00 54.58 54.69 2hg6 n ASN 82 Cb 0.45 -3.00 -0.03 0.00 -1.02 0.00 0.00 39.78 36.18 2hg6 n ASN 82 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2hg6 s ILE 83 N -3.20 4.04 0.60 2.41 1.09 -0.69 -4.20 121.20 121.25 2hg6 s ILE 83 Ca 0.19 1.40 -0.19 0.00 -1.10 0.00 0.00 60.65 60.96 2hg6 s ILE 83 Cb -0.02 -3.90 -0.03 0.00 -1.06 0.00 0.00 42.46 37.44 2hg6 s ILE 83 CO 0.39 0.01 1.21 -0.83 -0.10 0.00 0.00 174.94 175.63 2hg6 s GLY 84 N 1.56 2.73 0.04 6.18 0.00 -1.26 -4.91 107.32 111.66 2hg6 s GLY 84 Ca 0.59 1.02 -0.20 0.00 0.00 0.00 0.00 44.72 46.13 2hg6 s GLY 84 CO 0.24 1.41 1.29 0.83 0.00 0.00 0.00 173.10 176.88 2hg6 h GLU 85 N 0.81 0.41 -0.05 2.90 5.08 -1.93 -1.57 114.58 120.24 2hg6 h GLU 85 Ca -0.50 -0.26 0.01 0.00 -1.00 0.00 0.00 59.36 57.61 2hg6 h GLU 85 Cb 1.30 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.58 2hg6 h GLU 85 CO 0.55 0.86 0.13 -1.35 -1.00 0.00 0.00 179.01 178.20 2hg6 h PRO 86 N 0.02 0.00 0.11 2.33 0.11 -1.93 -0.10 132.00 132.55 2hg6 h PRO 86 Ca 0.01 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.84 2hg6 h PRO 86 Cb 0.84 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.96 2hg6 h PRO 86 CO 0.06 0.00 -1.20 -0.07 -0.21 0.00 0.00 178.00 176.57 2hg6 h LEU 87 N 0.00 0.62 -0.66 2.35 -0.00 -1.74 -2.54 115.31 113.34 2hg6 h LEU 87 Ca 0.02 -0.60 -0.10 0.00 -0.00 0.00 0.00 57.88 57.20 2hg6 h LEU 87 Cb 0.28 -0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 40.72 2hg6 h LEU 87 CO -0.00 1.44 -0.04 -0.07 -0.00 0.00 0.00 178.44 179.77 2hg6 h LEU 88 N 0.17 0.99 -0.79 1.67 3.38 -0.07 -2.10 115.31 118.57 2hg6 h LEU 88 Ca -0.15 -0.29 -0.13 0.00 0.09 0.00 0.00 57.88 57.40 2hg6 h LEU 88 Cb 1.89 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.36 2hg6 h LEU 88 CO 0.21 1.07 -0.50 -0.37 0.09 0.00 0.00 178.44 178.94 2hg6 h VAL 89 N 0.92 1.34 0.00 1.22 -1.51 -1.32 -2.21 116.25 114.70 2hg6 h VAL 89 Ca 0.16 -1.73 -0.04 0.00 -1.23 0.00 0.00 66.70 63.85 2hg6 h VAL 89 Cb 0.58 1.82 -0.01 0.00 -2.13 0.00 0.00 31.29 31.56 2hg6 h VAL 89 CO 0.03 0.52 -0.20 0.22 -1.23 0.00 0.00 177.57 176.92 2hg6 h TYR 90 N 0.21 0.00 -0.02 5.19 3.20 -1.13 0.01 116.97 124.42 2hg6 h TYR 90 Ca 0.01 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.73 2hg6 h TYR 90 Cb 0.95 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.21 2hg6 h TYR 90 CO 0.02 0.20 -0.69 1.25 -1.64 0.00 0.00 178.16 177.30 2hg6 h LEU 91 N 0.00 0.12 0.46 2.82 5.85 -0.80 -3.30 115.31 120.46 2hg6 h LEU 91 Ca -0.00 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 2hg6 h LEU 91 Cb 0.37 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.36 2hg6 h LEU 91 CO 0.03 0.77 -0.22 0.03 -0.34 0.00 0.00 178.44 178.71 2hg6 h ARG 92 N 0.07 -0.59 -4.03 1.25 2.47 -0.68 -3.48 114.38 109.38 2hg6 h ARG 92 Ca -0.01 0.04 -0.13 0.00 -1.26 0.00 0.00 59.98 58.62 2hg6 h ARG 92 Cb 1.22 0.13 -0.12 0.00 -1.65 0.00 0.00 29.97 29.55 2hg6 h ARG 92 CO 0.10 -0.39 -0.35 1.03 0.56 0.00 0.00 179.97 180.91 2hg6 s ARG 93 N -3.71 1.28 -0.10 0.04 0.52 -0.14 -5.11 118.95 111.73 2hg6 s ARG 93 Ca -0.09 -1.34 0.02 0.00 -0.52 0.00 0.00 55.73 53.81 2hg6 s ARG 93 Cb 0.01 0.37 0.01 0.00 0.52 0.00 0.00 34.95 35.86 2hg6 s ARG 93 CO 0.27 -0.48 -0.17 1.14 0.02 0.00 0.00 175.30 176.08 2hg6 s GLN 94 N -4.04 2.39 0.23 3.54 -2.07 -1.26 -3.78 119.66 114.66 2hg6 s GLN 94 Ca 0.25 -0.64 0.09 0.00 -1.82 0.00 0.00 55.36 53.24 2hg6 s GLN 94 Cb 0.03 -1.94 0.19 0.00 -1.09 0.00 0.00 33.01 30.21 2hg6 s GLN 94 CO 0.06 0.02 1.52 0.22 -1.32 0.00 0.00 175.29 175.79 2hg6 h ASP 95 N 7.14 0.04 -3.71 12.60 3.58 -1.95 -3.43 116.42 130.69 2hg6 h ASP 95 Ca -0.28 -0.03 -0.68 0.00 0.42 0.00 0.00 57.03 56.46 2hg6 h ASP 95 Cb 1.20 -0.01 -0.19 0.00 1.72 0.00 0.00 39.33 42.05 2hg6 h ASP 95 CO 0.49 0.75 -0.73 -0.76 -2.88 0.00 0.00 179.24 176.11 2hg6 s LEU 96 N -7.42 3.04 0.25 2.28 1.43 -1.26 -5.03 118.68 111.97 2hg6 s LEU 96 Ca -0.01 -0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 52.88 2hg6 s LEU 96 Cb 0.12 -1.73 0.50 0.00 0.03 0.00 0.00 46.19 45.11 2hg6 s LEU 96 CO 0.78 0.29 1.74 -0.65 0.23 0.00 0.00 176.35 178.75 2hg6 h PRO 97 N 4.67 0.51 -2.48 1.29 0.11 -2.04 -3.38 132.00 130.68 2hg6 h PRO 97 Ca -0.48 -0.03 -0.21 0.00 0.11 0.00 0.00 66.00 65.38 2hg6 h PRO 97 Cb 1.16 -0.11 -0.32 0.00 0.11 0.00 0.00 31.00 31.84 2hg6 h PRO 97 CO 0.52 0.34 -0.53 -1.21 -0.21 0.00 0.00 178.00 176.91 2hg6 s GLU 98 N -5.99 0.23 -0.54 1.05 2.02 -1.26 -5.08 118.70 109.13 2hg6 s GLU 98 Ca -0.12 0.57 -0.27 0.00 0.02 0.00 0.00 54.97 55.16 2hg6 s GLU 98 Cb 0.21 -0.44 -0.00 0.00 0.10 0.00 0.00 34.13 33.99 2hg6 s GLU 98 CO 0.77 -0.48 1.64 0.42 0.02 0.00 0.00 175.26 177.63 2hg6 s ILE 99 N 2.45 3.58 -0.16 -1.63 1.01 -1.26 -4.94 121.20 120.24 2hg6 s ILE 99 Ca 0.06 0.46 0.01 0.00 0.00 0.00 0.00 60.65 61.18 2hg6 s ILE 99 Cb -0.14 -4.13 0.02 0.00 0.01 0.00 0.00 42.46 38.22 2hg6 s ILE 99 CO -0.12 -0.96 -0.17 -0.89 0.00 0.00 0.00 174.94 172.80 2hg6 s THR 100 N 7.26 1.77 -0.14 2.92 2.01 -1.26 -0.56 115.64 127.64 2hg6 s THR 100 Ca 0.62 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.87 2hg6 s THR 100 Cb -0.13 -1.63 0.00 0.00 0.01 0.00 0.00 72.50 70.75 2hg6 s THR 100 CO 0.25 0.49 -0.19 0.00 -0.69 0.00 0.00 174.62 174.48 2hg6 s ALA 101 N 1.34 2.34 0.12 7.40 0.00 0.11 -4.93 121.76 128.13 2hg6 s ALA 101 Ca 0.03 -1.05 0.09 0.00 0.00 0.00 0.00 51.96 51.04 2hg6 s ALA 101 Cb -0.13 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 2hg6 s ALA 101 CO -0.10 0.02 -0.23 1.14 0.00 0.00 0.00 175.76 176.59 2hg6 s GLN 102 N 0.73 1.26 0.14 0.00 -2.07 -1.26 -1.14 119.66 117.32 2hg6 s GLN 102 Ca -0.08 -1.27 -0.12 0.00 -1.82 0.00 0.00 55.36 52.08 2hg6 s GLN 102 Cb -0.16 -1.62 -0.04 0.00 -1.09 0.00 0.00 33.01 30.11 2hg6 s GLN 102 CO 0.01 0.38 1.49 -0.09 -1.32 0.00 0.00 175.29 175.75 2hg6 h ARG 103 N 3.92 0.90 -7.32 9.60 2.43 -1.81 -3.44 114.38 118.66 2hg6 h ARG 103 Ca -0.48 -0.44 -0.47 0.00 -0.81 0.00 0.00 59.98 57.77 2hg6 h ARG 103 Cb 1.18 0.00 0.07 0.00 -0.42 0.00 0.00 29.97 30.80 2hg6 h ARG 103 CO 0.40 1.10 0.28 1.14 -1.51 0.00 0.00 179.97 181.37 2hg6 s GLN 104 N -4.48 2.53 0.09 0.20 -2.07 -1.26 -5.01 119.66 109.65 2hg6 s GLN 104 Ca -0.11 0.02 0.16 0.00 -1.82 0.00 0.00 55.36 53.60 2hg6 s GLN 104 Cb 0.11 -2.14 -0.12 0.00 -1.09 0.00 0.00 33.01 29.77 2hg6 s GLN 104 CO 0.87 -1.08 0.92 1.37 -1.32 0.00 0.00 175.29 176.05 2hg6 h LEU 105 N -0.54 0.00 -0.20 2.60 -0.00 -2.03 -3.51 115.31 111.64 2hg6 h LEU 105 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.43 2hg6 h LEU 105 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.95 2hg6 h LEU 105 CO 0.62 0.63 0.00 0.54 -0.00 0.00 0.00 178.44 180.23