#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 4.61 0.31 7.83 0.01 -1.26 -5.09 113.70 120.11 2hg6 s SER 2 Ca 0.00 -0.21 -0.29 0.00 1.31 0.00 0.00 55.95 56.76 2hg6 s SER 2 Cb 0.00 -1.76 -0.10 0.00 0.21 0.00 0.00 66.02 64.37 2hg6 s SER 2 CO 0.00 0.12 1.17 -0.63 0.41 0.00 0.00 173.24 174.31 2hg6 s ILE 3 N 0.65 3.21 0.71 1.44 -1.09 -1.26 -5.02 121.20 119.85 2hg6 s ILE 3 Ca -0.03 1.21 -0.03 0.00 -2.23 0.00 0.00 60.65 59.58 2hg6 s ILE 3 Cb -0.15 -3.76 0.11 0.00 -1.58 0.00 0.00 42.46 37.08 2hg6 s ILE 3 CO 0.02 0.28 0.99 0.42 -1.23 0.00 0.00 174.94 175.42 2hg6 s THR 4 N -1.18 2.23 0.00 2.92 -4.23 -1.26 -5.03 115.64 109.09 2hg6 s THR 4 Ca 0.47 -0.51 0.00 0.00 -1.18 0.00 0.00 61.69 60.46 2hg6 s THR 4 Cb -0.34 -2.71 0.00 0.00 1.34 0.00 0.00 72.50 70.78 2hg6 s THR 4 CO 0.45 0.00 0.00 -0.24 -0.54 0.00 0.00 174.62 174.29 2hg6 n SER 5 N -2.85 -0.42 0.13 3.99 2.88 -1.26 -4.72 113.62 111.36 2hg6 n SER 5 Ca 0.13 -0.71 0.19 0.00 -1.33 0.00 0.00 58.87 57.15 2hg6 n SER 5 Cb 0.60 0.00 0.65 0.00 -0.75 0.00 0.00 64.21 64.72 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 -1.15 0.18 -0.53 2.46 2.02 -2.03 0.14 112.91 114.01 2hg6 h THR 6 Ca 0.00 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.33 2hg6 h THR 6 Cb 0.00 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 2hg6 h THR 6 CO 0.00 0.00 0.49 0.44 0.37 0.00 0.00 175.52 176.82 2hg6 h ASP 7 N 0.00 0.00 -0.23 4.18 5.19 -1.98 -1.91 116.42 121.67 2hg6 h ASP 7 Ca 0.18 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.58 2hg6 h ASP 7 Cb 1.35 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.85 2hg6 h ASP 7 CO -0.00 0.00 0.12 -0.29 -3.12 0.00 0.00 179.24 175.95 2hg6 h ILE 8 N 0.00 1.12 0.00 0.35 2.10 -1.01 0.57 117.51 120.64 2hg6 h ILE 8 Ca 0.25 -0.32 -0.11 0.00 1.08 0.00 0.00 64.86 65.77 2hg6 h ILE 8 Cb 1.24 0.91 -0.02 0.00 -1.09 0.00 0.00 36.82 37.86 2hg6 h ILE 8 CO -0.00 0.11 -0.51 0.00 -1.08 0.00 0.00 178.15 176.67 2hg6 h GLN 10 N 0.00 0.50 0.00 0.00 4.20 -1.00 -2.64 115.11 116.17 2hg6 h GLN 10 Ca -0.01 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.49 2hg6 h GLN 10 Cb 1.18 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.95 2hg6 h GLN 10 CO 0.07 0.77 0.00 0.00 -0.67 0.00 0.00 178.83 178.99 2hg6 h ALA 11 N 1.22 1.00 0.00 3.87 0.00 -0.79 -2.29 119.26 122.27 2hg6 h ALA 11 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2hg6 h ALA 11 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2hg6 h ALA 11 CO 0.06 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.31 2hg6 h ALA 12 N 2.07 1.00 0.00 0.00 0.00 -1.48 -1.58 119.26 119.27 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 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 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 -0.25 0.00 3.58 -1.53 -3.08 116.42 115.14 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 0.36 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.41 2hg6 h ASP 13 CO 0.00 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.36 2hg6 n ALA 14 N -1.93 2.49 -1.82 -0.78 0.00 -0.60 -4.86 120.51 113.01 2hg6 n ALA 14 Ca 0.03 -0.57 -0.37 0.00 0.00 0.00 0.00 53.44 52.53 2hg6 n ALA 14 Cb 0.36 -1.04 -0.06 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.31 4.37 -0.03 0.00 1.02 -1.16 -4.90 118.68 116.67 2hg6 s LEU 15 Ca 0.28 1.79 0.06 0.00 0.02 0.00 0.00 54.13 56.29 2hg6 s LEU 15 Cb 0.15 -3.91 -0.01 0.00 0.02 0.00 0.00 46.19 42.44 2hg6 s LEU 15 CO 0.22 -0.03 -0.23 -1.59 0.02 0.00 0.00 176.35 174.74 2hg6 s LYS 16 N -1.95 2.05 0.00 1.70 -2.85 -0.21 -4.38 119.74 114.10 2hg6 s LYS 16 Ca 0.48 -0.82 0.00 0.00 -1.00 0.00 0.00 55.97 54.63 2hg6 s LYS 16 Cb -0.19 -1.87 0.00 0.00 -2.06 0.00 0.00 37.83 33.71 2hg6 s LYS 16 CO 0.24 0.43 0.00 0.41 0.10 0.00 0.00 175.35 176.53 2hg6 n GLY 17 N 2.72 -0.60 3.36 0.59 0.00 -1.26 -4.53 105.19 105.46 2hg6 n GLY 17 Ca -0.16 -2.27 -0.19 0.00 0.00 0.00 0.00 46.02 43.40 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 -0.88 1.76 -0.05 1.61 0.08 0.58 -0.86 117.98 120.21 2hg6 s PHE 18 Ca 0.00 -0.57 0.01 0.00 0.12 0.00 0.00 56.93 56.49 2hg6 s PHE 18 Cb 0.00 -0.82 0.02 0.00 -0.57 0.00 0.00 43.02 41.65 2hg6 s PHE 18 CO 0.00 0.37 -0.05 0.08 -0.10 0.00 0.00 175.22 175.53 2hg6 s VAL 19 N -2.95 0.60 0.26 -0.44 1.01 0.12 0.15 120.40 119.15 2hg6 s VAL 19 Ca 0.23 -0.14 -0.08 0.00 0.00 0.00 0.00 61.98 62.00 2hg6 s VAL 19 Cb -0.01 -0.63 -0.01 0.00 0.00 0.00 0.00 36.38 35.73 2hg6 s VAL 19 CO 0.08 0.25 0.41 -0.83 0.00 0.00 0.00 175.10 175.01 2hg6 s GLY 20 N 1.05 0.95 -0.09 4.51 0.00 0.45 -1.08 107.32 113.11 2hg6 s GLY 20 Ca -0.09 -1.20 -0.19 0.00 0.00 0.00 0.00 44.72 43.24 2hg6 s GLY 20 CO -0.01 -0.87 0.52 -0.12 0.00 0.00 0.00 173.10 172.63 2hg6 s PHE 21 N -3.78 3.55 -0.40 1.90 5.36 -1.19 -0.09 117.98 123.32 2hg6 s PHE 21 Ca 0.28 0.98 -0.06 0.00 -0.96 0.00 0.00 56.93 57.17 2hg6 s PHE 21 Cb 0.01 -2.59 0.09 0.00 -0.34 0.00 0.00 43.02 40.19 2hg6 s PHE 21 CO 0.12 0.19 0.21 1.21 -1.46 0.00 0.00 175.22 175.49 2hg6 s ASN 22 N 0.52 5.39 0.49 6.13 3.84 0.50 -4.63 114.94 127.18 2hg6 s ASN 22 Ca 0.28 -1.70 0.29 0.00 0.21 0.00 0.00 52.86 51.94 2hg6 s ASN 22 Cb -0.16 -1.89 1.08 0.00 -0.55 0.00 0.00 41.25 39.73 2hg6 s ASN 22 CO 0.12 -0.51 1.88 0.08 -2.79 0.00 0.00 177.10 175.88 2hg6 h ARG 23 N 8.22 0.00 -0.39 0.43 0.11 -1.88 0.90 114.38 121.77 2hg6 h ARG 23 Ca -0.19 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.80 2hg6 h ARG 23 Cb 1.07 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.13 2hg6 h ARG 23 CO 0.71 0.10 -0.13 -0.22 0.10 0.00 0.00 179.97 180.52 2hg6 h LYS 24 N 0.00 0.78 0.00 0.08 3.11 -1.93 -2.95 116.57 115.66 2hg6 h LYS 24 Ca -0.00 -0.32 0.00 0.00 -2.81 0.00 0.00 60.65 57.52 2hg6 h LYS 24 Cb 0.66 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.86 2hg6 h LYS 24 CO 0.01 0.93 -1.06 -2.37 -2.81 0.00 0.00 179.45 174.16 2hg6 n THR 25 N -4.31 0.15 -2.62 1.00 5.66 -1.18 -4.99 114.28 107.99 2hg6 n THR 25 Ca -0.01 -0.24 -0.03 0.00 -3.05 0.00 0.00 64.05 60.72 2hg6 n THR 25 Cb 0.38 0.24 0.01 0.00 -1.55 0.00 0.00 70.33 69.41 2hg6 n THR 25 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2hg6 n GLY 26 N 1.37 0.78 3.64 1.09 0.00 0.24 -5.05 105.19 107.26 2hg6 n GLY 26 Ca 0.02 -0.57 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 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 -5.14 1.57 -0.13 1.61 1.70 -0.78 -5.00 118.95 112.78 2hg6 s ARG 27 Ca 0.07 -1.13 -0.21 0.00 -0.47 0.00 0.00 55.73 53.98 2hg6 s ARG 27 Cb -0.03 0.51 -0.03 0.00 -0.57 0.00 0.00 34.95 34.83 2hg6 s ARG 27 CO 0.08 -0.67 0.63 -0.47 -1.08 0.00 0.00 175.30 173.79 2hg6 s TYR 28 N -3.97 3.48 0.26 5.89 5.04 -1.26 -0.37 117.35 126.41 2hg6 s TYR 28 Ca 0.18 1.05 0.05 0.00 -2.44 0.00 0.00 57.07 55.90 2hg6 s TYR 28 Cb -0.02 -2.75 -0.05 0.00 0.35 0.00 0.00 41.96 39.48 2hg6 s TYR 28 CO 0.07 -0.01 -0.03 0.96 -1.34 0.00 0.00 175.55 175.20 2hg6 s ILE 29 N 1.23 1.31 0.13 3.14 -4.36 0.87 -4.92 121.20 118.60 2hg6 s ILE 29 Ca 0.32 -2.07 -0.03 0.00 -0.26 0.00 0.00 60.65 58.60 2hg6 s ILE 29 Cb -0.16 -2.40 -0.05 0.00 1.25 0.00 0.00 42.46 41.09 2hg6 s ILE 29 CO 0.13 -0.31 0.34 0.68 0.24 0.00 0.00 174.94 176.02 2hg6 s VAL 30 N -3.23 5.22 -0.08 8.37 -7.23 -1.26 -0.41 120.40 121.78 2hg6 s VAL 30 Ca 0.29 -0.10 -0.04 0.00 -1.81 0.00 0.00 61.98 60.31 2hg6 s VAL 30 Cb 0.05 -3.63 0.04 0.00 0.56 0.00 0.00 36.38 33.39 2hg6 s VAL 30 CO 0.10 0.04 0.19 -0.60 -0.31 0.00 0.00 175.10 174.52 2hg6 s ARG 31 N -2.68 0.16 0.33 4.82 6.06 0.12 -4.91 118.95 122.85 2hg6 s ARG 31 Ca 0.39 0.40 0.11 0.00 -2.50 0.00 0.00 55.73 54.13 2hg6 s ARG 31 Cb -0.12 -0.09 0.55 0.00 0.06 0.00 0.00 34.95 35.35 2hg6 s ARG 31 CO 0.26 -0.13 1.73 0.35 -2.50 0.00 0.00 175.30 175.01 2hg6 h PHE 32 N 6.89 0.04 -3.94 5.12 3.57 -1.95 0.17 116.94 126.84 2hg6 h PHE 32 Ca -0.38 -0.01 -0.29 0.00 3.53 0.00 0.00 57.97 60.82 2hg6 h PHE 32 Cb 1.16 -0.01 -0.24 0.00 2.79 0.00 0.00 35.95 39.65 2hg6 h PHE 32 CO 0.40 0.50 -0.74 0.45 -2.23 0.00 0.00 178.31 176.68 2hg6 s SER 33 N -6.90 0.76 0.39 0.41 0.15 -1.26 -4.39 113.70 102.86 2hg6 s SER 33 Ca -0.03 -0.39 0.17 0.00 0.70 0.00 0.00 55.95 56.40 2hg6 s SER 33 Cb 0.14 0.00 0.78 0.00 -1.71 0.00 0.00 66.02 65.23 2hg6 s SER 33 CO 0.75 -0.11 1.81 -0.33 1.20 0.00 0.00 173.24 176.55 2hg6 h GLU 34 N 5.02 0.00 0.00 5.44 5.08 -1.98 -2.76 114.58 125.38 2hg6 h GLU 34 Ca -0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 2hg6 h GLU 34 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2hg6 h GLU 34 CO 0.44 0.36 0.00 0.22 -1.00 0.00 0.00 179.01 179.03 2hg6 h ASP 35 N 0.00 0.00 0.00 1.42 3.58 -1.99 -3.15 116.42 116.28 2hg6 h ASP 35 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2hg6 h ASP 35 Cb 0.74 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.79 2hg6 h ASP 35 CO 0.05 0.00 0.00 -1.20 -2.88 0.00 0.00 179.24 175.21 2hg6 n SER 36 N -2.37 0.00 -3.52 2.28 7.64 -1.04 -4.79 113.62 111.83 2hg6 n SER 36 Ca 0.03 -1.39 -0.17 0.00 1.01 0.00 0.00 58.87 58.35 2hg6 n SER 36 Cb 0.29 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.58 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 -0.69 -3.41 0.00 1.43 1.16 -1.19 -5.06 117.46 109.69 2hg6 n PHE 37 Ca 0.08 -1.02 0.00 0.00 -1.87 0.00 0.00 57.45 54.64 2hg6 n PHE 37 Cb 0.04 -0.55 0.00 0.00 -1.61 0.00 0.00 39.48 37.36 2hg6 n PHE 37 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2hg6 n GLY 38 N -0.26 3.28 1.19 4.97 0.00 -1.26 -4.98 105.19 108.13 2hg6 n GLY 38 Ca 0.11 -0.32 0.09 0.00 0.00 0.00 0.00 46.02 45.90 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 3.14 -0.01 1.61 0.00 -1.26 -4.60 117.12 116.00 2hg6 n MET 39 Ca 0.00 -2.59 -0.00 0.00 0.00 0.00 0.00 57.70 55.11 2hg6 n MET 39 Cb 0.00 -1.62 -0.00 0.00 0.00 0.00 0.00 33.22 31.60 2hg6 n MET 39 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 175.97 176.35 2hg6 h ASP 40 N 3.34 0.00 -2.93 3.17 3.04 -1.99 -3.47 116.42 117.58 2hg6 h ASP 40 Ca 0.00 0.00 -0.67 0.00 -3.24 0.00 0.00 57.03 53.12 2hg6 h ASP 40 Cb 1.12 0.00 -0.10 0.00 -1.04 0.00 0.00 39.33 39.31 2hg6 h ASP 40 CO 0.10 0.07 -0.54 0.54 -2.04 0.00 0.00 179.24 177.37 2hg6 s VAL 41 N -1.09 5.02 0.37 4.15 0.11 -1.26 -4.82 120.40 122.88 2hg6 s VAL 41 Ca -0.01 0.02 -0.02 0.00 -2.93 0.00 0.00 61.98 59.04 2hg6 s VAL 41 Cb 0.00 -3.16 -0.04 0.00 -1.53 0.00 0.00 36.38 31.65 2hg6 s VAL 41 CO 0.01 0.61 0.62 0.00 -3.33 0.00 0.00 175.10 173.00 2hg6 s ALA 42 N -0.92 3.60 0.48 1.54 0.00 -1.26 -4.52 121.76 120.67 2hg6 s ALA 42 Ca 0.14 -0.72 0.14 0.00 0.00 0.00 0.00 51.96 51.53 2hg6 s ALA 42 Cb -0.12 -2.29 1.14 0.00 0.00 0.00 0.00 23.12 21.85 2hg6 s ALA 42 CO 0.03 -0.05 2.08 0.38 0.00 0.00 0.00 175.76 178.20 2hg6 h ASP 43 N 0.82 0.18 0.99 0.00 2.03 -1.94 0.72 116.42 119.23 2hg6 h ASP 43 Ca -0.48 -0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 55.81 2hg6 h ASP 43 Cb 1.21 -0.04 -0.00 0.00 -0.83 0.00 0.00 39.33 39.67 2hg6 h ASP 43 CO 0.62 0.13 -0.00 -0.78 -1.03 0.00 0.00 179.24 178.18 2hg6 h ASP 44 N 0.21 0.00 -0.53 4.15 3.58 -2.02 -1.98 116.42 119.84 2hg6 h ASP 44 Ca 0.11 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.56 2hg6 h ASP 44 Cb 0.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.22 2hg6 h ASP 44 CO -0.02 0.00 0.00 -0.24 -2.88 0.00 0.00 179.24 176.10 2hg6 n SER 45 N -3.10 3.44 -4.31 2.28 2.88 0.24 -4.85 113.62 110.21 2hg6 n SER 45 Ca 0.00 -2.19 -0.31 0.00 -1.33 0.00 0.00 58.87 55.04 2hg6 n SER 45 Cb 0.30 -0.45 -0.16 0.00 -0.75 0.00 0.00 64.21 63.15 2hg6 n SER 45 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2hg6 s ILE 46 N -1.55 2.17 -0.04 2.46 1.01 -0.74 -3.18 121.20 121.32 2hg6 s ILE 46 Ca 0.39 -1.05 0.01 0.00 0.00 0.00 0.00 60.65 59.99 2hg6 s ILE 46 Cb 0.23 -1.77 0.02 0.00 0.01 0.00 0.00 42.46 40.95 2hg6 s ILE 46 CO 0.22 0.58 -0.02 -0.89 0.00 0.00 0.00 174.94 174.82 2hg6 s THR 47 N -0.46 0.38 0.24 2.92 2.01 -0.24 -4.96 115.64 115.53 2hg6 s THR 47 Ca 0.05 -0.03 -0.31 0.00 0.31 0.00 0.00 61.69 61.71 2hg6 s THR 47 Cb -0.11 -0.44 -0.12 0.00 0.01 0.00 0.00 72.50 71.84 2hg6 s THR 47 CO 0.01 0.19 1.63 -0.81 -0.69 0.00 0.00 174.62 174.95 2hg6 n PRO 48 N 4.12 2.64 0.28 4.92 -0.04 -1.26 0.11 135.00 145.76 2hg6 n PRO 48 Ca -0.25 0.94 0.13 0.00 -0.04 0.00 0.00 63.50 64.29 2hg6 n PRO 48 Cb 0.51 -2.74 0.81 0.00 -0.04 0.00 0.00 33.50 32.03 2hg6 n PRO 48 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hg6 h THR 49 N 3.53 0.60 -0.37 0.52 1.03 -1.29 0.27 112.91 117.19 2hg6 h THR 49 Ca -0.45 -0.26 -0.08 0.00 -0.01 0.00 0.00 66.41 65.61 2hg6 h THR 49 Cb 1.22 1.16 -0.02 0.00 -1.07 0.00 0.00 68.15 69.45 2hg6 h THR 49 CO 0.86 0.06 -0.09 0.28 -0.01 0.00 0.00 175.52 176.62 2hg6 h SER 50 N 0.00 0.61 0.00 0.00 0.02 -1.78 -3.08 113.55 109.32 2hg6 h SER 50 Ca -0.00 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 2hg6 h SER 50 Cb 0.16 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.53 2hg6 h SER 50 CO 0.01 0.74 -1.08 1.21 -1.14 0.00 0.00 176.83 176.57 2hg6 n GLU 51 N -4.20 0.97 0.22 3.45 2.13 -0.36 -4.35 120.64 118.49 2hg6 n GLU 51 Ca 0.01 -0.04 0.07 0.00 0.66 0.00 0.00 57.16 57.86 2hg6 n GLU 51 Cb 0.33 -1.37 0.50 0.00 0.27 0.00 0.00 31.44 31.17 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 -0.44 -2.41 116.94 121.97 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 0.52 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.26 2hg6 h PHE 52 CO 0.00 0.26 0.00 1.33 -2.23 0.00 0.00 178.31 177.67 2hg6 n VAL 53 N -3.88 0.18 -3.59 1.41 0.24 -1.24 -4.62 118.33 106.83 2hg6 n VAL 53 Ca -0.02 0.04 -0.39 0.00 -2.04 0.00 0.00 64.34 61.94 2hg6 n VAL 53 Cb 0.34 -0.62 -0.11 0.00 -1.47 0.00 0.00 33.84 31.98 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 -2.56 3.21 -0.05 6.34 0.52 -0.91 -0.52 118.94 124.97 2hg6 s TRP 54 Ca 0.24 -0.24 0.02 0.00 0.02 0.00 0.00 56.10 56.14 2hg6 s TRP 54 Cb 0.17 -2.41 -0.03 0.00 -1.15 0.00 0.00 33.47 30.05 2hg6 s TRP 54 CO 0.39 -0.34 -0.09 0.45 0.02 0.00 0.00 176.95 177.38 2hg6 s SER 55 N 1.70 4.48 -0.28 2.95 0.15 -0.36 -4.85 113.70 117.49 2hg6 s SER 55 Ca 0.06 -0.08 -0.29 0.00 0.70 0.00 0.00 55.95 56.34 2hg6 s SER 55 Cb -0.17 -1.07 -0.00 0.00 -1.71 0.00 0.00 66.02 63.07 2hg6 s SER 55 CO 0.09 0.35 1.33 -0.44 1.20 0.00 0.00 173.24 175.78 2hg6 s SER 56 N -0.86 6.67 0.00 5.45 0.01 -1.26 -0.21 113.70 123.49 2hg6 s SER 56 Ca 0.13 1.31 0.00 0.00 1.31 0.00 0.00 55.95 58.70 2hg6 s SER 56 Cb -0.11 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.58 2hg6 s SER 56 CO 0.02 -1.07 0.28 1.33 0.41 0.00 0.00 173.24 174.22 2hg6 n VAL 57 N 6.14 0.00 -3.32 3.43 0.24 -1.00 -4.95 118.33 118.87 2hg6 n VAL 57 Ca 0.15 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 62.02 2hg6 n VAL 57 Cb 0.46 1.08 0.00 0.00 -1.47 0.00 0.00 33.84 33.92 2hg6 n VAL 57 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2hg6 n ARG 58 N -0.30 0.46 0.00 7.34 3.00 -0.66 -5.02 116.66 121.47 2hg6 n ARG 58 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2hg6 n ARG 58 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.48 2hg6 n ARG 58 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2hg6 n ASP 59 N -0.87 0.00 -0.20 6.15 2.03 -1.26 -4.22 116.55 118.18 2hg6 n ASP 59 Ca 0.00 0.96 0.07 0.00 0.52 0.00 0.00 54.79 56.34 2hg6 n ASP 59 Cb 0.00 -0.46 0.10 0.00 -0.72 0.00 0.00 41.12 40.03 2hg6 n ASP 59 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2hg6 n ASP 60 N -2.05 1.64 -4.69 1.67 8.00 -1.26 -5.03 116.55 114.82 2hg6 n ASP 60 Ca 0.00 -2.74 -0.36 0.00 0.71 0.00 0.00 54.79 52.40 2hg6 n ASP 60 Cb 0.00 -0.35 -0.09 0.00 -0.02 0.00 0.00 41.12 40.66 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 -1.99 5.32 0.27 2.53 1.01 -1.26 -1.21 120.40 125.08 2hg6 s VAL 61 Ca 0.22 0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.45 2hg6 s VAL 61 Cb 0.19 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 2hg6 s VAL 61 CO 0.02 0.40 0.10 -0.04 0.00 0.00 0.00 175.10 175.59 2hg6 s MET 62 N 0.66 2.60 0.14 2.72 -1.94 -0.09 -1.66 119.30 121.74 2hg6 s MET 62 Ca 0.07 -1.25 0.11 0.00 -1.71 0.00 0.00 55.69 52.91 2hg6 s MET 62 Cb -0.12 -2.36 -0.04 0.00 2.01 0.00 0.00 34.83 34.32 2hg6 s MET 62 CO 0.01 0.36 -0.26 -0.98 -0.01 0.00 0.00 175.02 174.14 2hg6 s ARG 63 N -3.77 1.43 -0.38 2.03 1.70 0.70 0.04 118.95 120.69 2hg6 s ARG 63 Ca 0.33 -1.38 -0.29 0.00 -0.47 0.00 0.00 55.73 53.92 2hg6 s ARG 63 Cb -0.07 -1.89 -0.00 0.00 -0.57 0.00 0.00 34.95 32.42 2hg6 s ARG 63 CO 0.23 0.44 1.56 -1.17 -1.08 0.00 0.00 175.30 175.28 2hg6 s LEU 64 N -2.18 3.55 -0.32 -1.89 1.98 0.13 -1.22 118.68 118.73 2hg6 s LEU 64 Ca 0.15 1.00 -0.07 0.00 -2.89 0.00 0.00 54.13 52.32 2hg6 s LEU 64 Cb -0.10 -3.52 0.02 0.00 0.66 0.00 0.00 46.19 43.25 2hg6 s LEU 64 CO 0.07 -1.55 0.11 -0.83 -1.89 0.00 0.00 176.35 172.26 2hg6 s GLY 65 N 4.79 1.83 0.31 7.98 0.00 0.32 -4.29 107.32 118.26 2hg6 s GLY 65 Ca 0.68 -1.56 0.25 0.00 0.00 0.00 0.00 44.72 44.10 2hg6 s GLY 65 CO 0.33 0.71 1.75 0.07 0.00 0.00 0.00 173.10 175.96 2hg6 h ARG 66 N 8.27 0.00 -0.31 2.90 0.11 -1.93 -2.31 114.38 121.11 2hg6 h ARG 66 Ca -0.29 0.00 0.09 0.00 0.10 0.00 0.00 59.98 59.88 2hg6 h ARG 66 Cb 1.11 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.18 2hg6 h ARG 66 CO 0.61 0.00 0.24 1.05 0.10 0.00 0.00 179.97 181.97 2hg6 h GLU 67 N 0.00 0.00 -0.16 0.08 4.11 -1.95 0.47 114.58 117.13 2hg6 h GLU 67 Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.27 2hg6 h GLU 67 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2hg6 h GLU 67 CO 0.00 0.00 -0.51 1.96 0.07 0.00 0.00 179.01 180.53 2hg6 h GLN 68 N 0.00 0.63 0.00 1.06 1.08 -1.76 -3.16 115.11 112.96 2hg6 h GLN 68 Ca 0.15 -0.46 -0.07 0.00 -1.45 0.00 0.00 58.65 56.82 2hg6 h GLN 68 Cb 0.63 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.13 2hg6 h GLN 68 CO -0.00 1.08 -0.33 -0.07 -0.95 0.00 0.00 178.83 178.57 2hg6 h LEU 69 N 0.30 0.00 -1.30 1.46 3.38 -1.12 -2.27 115.31 115.75 2hg6 h LEU 69 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2hg6 h LEU 69 Cb 1.13 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 2hg6 h LEU 69 CO 0.11 0.33 0.43 1.56 0.09 0.00 0.00 178.44 180.95 2hg6 h GLN 70 N 0.00 0.90 -0.22 1.13 1.08 -1.00 0.10 115.11 117.10 2hg6 h GLN 70 Ca -0.00 -0.06 -0.12 0.00 -1.45 0.00 0.00 58.65 57.01 2hg6 h GLN 70 Cb 0.63 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 2hg6 h GLN 70 CO 0.04 0.61 -0.39 0.82 -0.95 0.00 0.00 178.83 178.96 2hg6 h ILE 71 N 0.92 1.30 -0.22 2.54 2.04 -1.47 -2.43 117.51 120.20 2hg6 h ILE 71 Ca 0.24 -1.53 -0.19 0.00 1.00 0.00 0.00 64.86 64.38 2hg6 h ILE 71 Cb -0.08 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 2hg6 h ILE 71 CO -0.05 0.48 -0.63 -0.07 0.00 0.00 0.00 178.15 177.88 2hg6 h LEU 72 N 0.41 0.87 -1.12 1.44 3.38 -1.00 -2.64 115.31 116.64 2hg6 h LEU 72 Ca 0.04 -0.50 -0.07 0.00 0.09 0.00 0.00 57.88 57.43 2hg6 h LEU 72 Cb 0.86 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2hg6 h LEU 72 CO 0.07 1.29 -0.34 0.17 0.09 0.00 0.00 178.44 179.72 2hg6 h LEU 73 N 0.56 0.00 -1.48 1.67 8.10 -0.83 -1.64 115.31 121.69 2hg6 h LEU 73 Ca -0.01 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.93 2hg6 h LEU 73 Cb 1.23 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.44 2hg6 h LEU 73 CO 0.13 0.34 -0.26 -0.33 -4.11 0.00 0.00 178.44 174.21 2hg6 h GLU 74 N 0.00 0.00 -0.08 0.17 4.39 -1.13 -1.79 114.58 116.14 2hg6 h GLU 74 Ca -0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.58 2hg6 h GLU 74 Cb 0.78 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 2hg6 h GLU 74 CO 0.04 0.26 -0.46 1.96 -1.16 0.00 0.00 179.01 179.65 2hg6 h GLN 75 N 0.00 0.20 -0.16 2.33 1.08 -0.96 -3.47 115.11 114.13 2hg6 h GLN 75 Ca -0.00 -0.10 -0.07 0.00 -1.45 0.00 0.00 58.65 57.03 2hg6 h GLN 75 Cb 0.54 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.94 2hg6 h GLN 75 CO 0.03 0.62 -0.06 -1.71 -0.95 0.00 0.00 178.83 176.76 2hg6 n ASN 76 N -3.98 -4.45 -2.86 1.46 2.85 -0.68 -4.90 115.26 102.71 2hg6 n ASN 76 Ca -0.02 0.08 -0.32 0.00 -0.11 0.00 0.00 54.58 54.22 2hg6 n ASN 76 Cb 0.51 -2.24 0.00 0.00 1.24 0.00 0.00 39.78 39.29 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 -2.55 3.34 0.27 -1.44 -6.64 -1.26 -4.77 119.36 106.31 2hg6 n ILE 77 Ca -0.03 -5.12 0.11 0.00 -1.77 0.00 0.00 62.75 55.94 2hg6 n ILE 77 Cb 0.28 -1.34 0.76 0.00 -1.44 0.00 0.00 39.64 37.91 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 3.00 0.00 0.77 7.28 2.35 -1.90 0.42 115.58 127.51 2hg6 h ASN 78 Ca 0.35 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.99 2hg6 h ASN 78 Cb 0.54 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.89 2hg6 h ASN 78 CO 1.01 0.03 -0.53 -0.33 -1.65 0.00 0.00 177.43 175.96 2hg6 h GLU 79 N 0.00 0.00 0.02 0.81 5.08 -1.94 0.11 114.58 118.66 2hg6 h GLU 79 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2hg6 h GLU 79 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2hg6 h GLU 79 CO 0.00 0.53 -0.01 -0.09 -1.00 0.00 0.00 179.01 178.44 2hg6 h ARG 80 N 0.00 -0.02 0.00 2.33 9.65 -1.34 -3.36 114.38 121.63 2hg6 h ARG 80 Ca -0.01 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2hg6 h ARG 80 Cb 1.06 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.64 2hg6 h ARG 80 CO 0.07 0.48 0.00 1.25 2.80 0.00 0.00 179.97 184.57 2hg6 h LEU 81 N -0.99 0.00 -2.63 3.80 5.85 -1.36 -3.47 115.31 116.52 2hg6 h LEU 81 Ca -0.00 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 2hg6 h LEU 81 Cb 0.52 0.00 0.08 0.00 0.37 0.00 0.00 40.66 41.63 2hg6 h LEU 81 CO 0.00 0.00 -0.34 0.59 -0.34 0.00 0.00 178.44 178.35 2hg6 n ASN 82 N -3.05 -5.28 -4.71 1.25 5.03 0.37 -1.04 115.26 107.82 2hg6 n ASN 82 Ca 0.04 -0.30 -0.42 0.00 0.87 0.00 0.00 54.58 54.77 2hg6 n ASN 82 Cb 0.52 -3.63 -0.03 0.00 -1.02 0.00 0.00 39.78 35.62 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 -3.16 4.49 0.90 2.41 1.09 -1.07 -3.99 121.20 121.87 2hg6 s ILE 83 Ca 0.18 1.79 -0.10 0.00 -1.10 0.00 0.00 60.65 61.42 2hg6 s ILE 83 Cb -0.02 -4.15 0.13 0.00 -1.06 0.00 0.00 42.46 37.36 2hg6 s ILE 83 CO 0.48 0.13 1.13 -0.83 -0.10 0.00 0.00 174.94 175.75 2hg6 s GLY 84 N 1.04 1.68 0.04 6.18 0.00 -1.26 -4.89 107.32 110.10 2hg6 s GLY 84 Ca 0.55 0.46 -0.26 0.00 0.00 0.00 0.00 44.72 45.47 2hg6 s GLY 84 CO 0.28 0.88 1.44 0.83 0.00 0.00 0.00 173.10 176.53 2hg6 h GLU 85 N -1.74 -0.33 0.00 2.90 5.08 -1.94 -2.49 114.58 116.06 2hg6 h GLU 85 Ca -0.44 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2hg6 h GLU 85 Cb 1.26 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.59 2hg6 h GLU 85 CO 0.45 -0.07 0.00 -1.00 -1.00 0.00 0.00 179.01 177.38 2hg6 h PRO 86 N -0.55 0.00 -0.23 2.33 0.13 -1.93 -1.53 132.00 130.22 2hg6 h PRO 86 Ca -0.03 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.95 2hg6 h PRO 86 Cb 0.41 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 2hg6 h PRO 86 CO 0.06 0.00 -0.44 -0.07 -0.23 0.00 0.00 178.00 177.32 2hg6 h LEU 87 N 0.00 0.62 -1.14 1.56 -0.00 -1.73 -0.44 115.31 114.18 2hg6 h LEU 87 Ca 0.00 -0.29 -0.09 0.00 -0.00 0.00 0.00 57.88 57.51 2hg6 h LEU 87 Cb 0.13 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 40.60 2hg6 h LEU 87 CO 0.00 0.97 -0.35 -0.07 -0.00 0.00 0.00 178.44 178.99 2hg6 h LEU 88 N 0.47 0.14 -0.64 1.67 4.07 -1.10 -0.83 115.31 119.08 2hg6 h LEU 88 Ca 0.03 -0.05 -0.12 0.00 0.08 0.00 0.00 57.88 57.83 2hg6 h LEU 88 Cb 0.95 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.64 2hg6 h LEU 88 CO 0.09 0.49 -0.19 0.58 -1.08 0.00 0.00 178.44 178.32 2hg6 h VAL 89 N 0.12 1.27 0.00 1.22 2.07 -1.30 -2.31 116.25 117.32 2hg6 h VAL 89 Ca 0.01 -1.32 -0.03 0.00 0.82 0.00 0.00 66.70 66.18 2hg6 h VAL 89 Cb 0.68 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 2hg6 h VAL 89 CO 0.05 0.45 -0.16 0.22 0.02 0.00 0.00 177.57 178.15 2hg6 h TYR 90 N 0.76 0.00 0.00 1.57 3.20 -0.53 -1.27 116.97 120.70 2hg6 h TYR 90 Ca 0.11 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 2hg6 h TYR 90 Cb 0.73 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.99 2hg6 h TYR 90 CO 0.04 0.16 -0.13 -0.07 -1.64 0.00 0.00 178.16 176.52 2hg6 h LEU 91 N 0.00 0.00 0.07 2.82 3.38 -0.60 -3.27 115.31 117.71 2hg6 h LEU 91 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2hg6 h LEU 91 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2hg6 h LEU 91 CO 0.02 0.13 -0.04 0.03 0.09 0.00 0.00 178.44 178.68 2hg6 h ARG 92 N 0.00 -0.09 -4.18 1.13 2.47 -1.00 -3.50 114.38 109.21 2hg6 h ARG 92 Ca -0.00 0.01 -0.24 0.00 -1.26 0.00 0.00 59.98 58.49 2hg6 h ARG 92 Cb 0.66 0.02 -0.10 0.00 -1.65 0.00 0.00 29.97 28.90 2hg6 h ARG 92 CO 0.02 -0.06 -0.29 1.03 0.56 0.00 0.00 179.97 181.23 2hg6 s ARG 93 N -1.78 1.67 -0.01 0.04 0.52 -1.01 -5.13 118.95 113.24 2hg6 s ARG 93 Ca -0.01 -1.64 0.05 0.00 -0.52 0.00 0.00 55.73 53.60 2hg6 s ARG 93 Cb 0.00 0.40 -0.01 0.00 0.52 0.00 0.00 34.95 35.86 2hg6 s ARG 93 CO 0.04 -0.66 -0.15 1.14 0.02 0.00 0.00 175.30 175.69 2hg6 s GLN 94 N -3.54 1.29 -0.10 3.54 0.00 -1.26 -4.13 119.66 115.46 2hg6 s GLN 94 Ca 0.31 -0.55 0.07 0.00 -0.00 0.00 0.00 55.36 55.19 2hg6 s GLN 94 Cb 0.01 -1.23 -0.24 0.00 0.00 0.00 0.00 33.01 31.55 2hg6 s GLN 94 CO 0.17 0.32 0.46 -3.47 0.00 0.00 0.00 175.29 172.76 2hg6 n ASP 95 N 2.76 1.24 -4.82 12.60 2.03 -1.26 -4.88 116.55 124.22 2hg6 n ASP 95 Ca -0.15 0.28 -0.36 0.00 0.52 0.00 0.00 54.79 55.08 2hg6 n ASP 95 Cb 0.54 -0.22 -0.07 0.00 -0.72 0.00 0.00 41.12 40.65 2hg6 n ASP 95 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2hg6 s LEU 96 N -6.35 4.15 0.63 -2.67 1.43 -1.26 -4.98 118.68 109.64 2hg6 s LEU 96 Ca -0.12 0.37 0.40 0.00 -1.03 0.00 0.00 54.13 53.75 2hg6 s LEU 96 Cb 0.07 -2.00 2.15 0.00 0.03 0.00 0.00 46.19 46.45 2hg6 s LEU 96 CO 0.80 0.39 2.29 1.55 0.23 0.00 0.00 176.35 181.60 2hg6 h PRO 97 N 5.11 0.00 -0.98 1.29 0.13 -2.01 -3.42 132.00 132.13 2hg6 h PRO 97 Ca -0.53 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 64.78 2hg6 h PRO 97 Cb 1.22 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.07 2hg6 h PRO 97 CO 0.58 0.01 0.47 -1.83 -0.23 0.00 0.00 178.00 176.99 2hg6 s GLU 98 N -4.14 0.20 -0.54 0.86 -1.05 -1.26 -5.11 118.70 107.65 2hg6 s GLU 98 Ca -0.04 0.41 -0.21 0.00 -0.15 0.00 0.00 54.97 54.98 2hg6 s GLU 98 Cb 0.13 0.15 0.06 0.00 -0.44 0.00 0.00 34.13 34.02 2hg6 s GLU 98 CO 0.46 -0.05 0.76 0.42 0.95 0.00 0.00 175.26 177.80 2hg6 s ILE 99 N 1.70 4.66 -0.14 1.83 1.01 -1.26 -4.94 121.20 124.07 2hg6 s ILE 99 Ca -0.05 -0.28 -0.07 0.00 0.00 0.00 0.00 60.65 60.25 2hg6 s ILE 99 Cb -0.03 -4.43 -0.04 0.00 0.01 0.00 0.00 42.46 37.97 2hg6 s ILE 99 CO -0.14 -0.99 0.13 0.42 0.00 0.00 0.00 174.94 174.35 2hg6 s THR 100 N 3.19 5.41 -0.06 2.92 -4.23 -1.26 0.17 115.64 121.78 2hg6 s THR 100 Ca 0.20 0.18 -0.03 0.00 -1.18 0.00 0.00 61.69 60.86 2hg6 s THR 100 Cb -0.17 -3.38 0.04 0.00 1.34 0.00 0.00 72.50 70.33 2hg6 s THR 100 CO 0.14 0.58 0.14 0.00 -0.54 0.00 0.00 174.62 174.93 2hg6 s ALA 101 N -0.71 -0.19 0.13 3.99 0.00 0.11 -4.97 121.76 120.11 2hg6 s ALA 101 Ca 0.13 0.60 -0.26 0.00 0.00 0.00 0.00 51.96 52.44 2hg6 s ALA 101 Cb -0.12 -0.52 -0.07 0.00 0.00 0.00 0.00 23.12 22.41 2hg6 s ALA 101 CO 0.03 -0.26 0.79 1.14 0.00 0.00 0.00 175.76 177.46 2hg6 s GLN 102 N 1.45 4.56 0.21 0.00 -2.07 -1.26 -0.91 119.66 121.64 2hg6 s GLN 102 Ca -0.06 1.15 0.00 0.00 -1.82 0.00 0.00 55.36 54.64 2hg6 s GLN 102 Cb -0.12 -3.30 -0.04 0.00 -1.09 0.00 0.00 33.01 28.46 2hg6 s GLN 102 CO -0.06 0.46 0.39 1.03 -1.32 0.00 0.00 175.29 175.79 2hg6 s ARG 103 N -0.74 3.50 -0.08 9.60 1.81 -0.35 -4.95 118.95 127.74 2hg6 s ARG 103 Ca 0.37 -0.40 -0.30 0.00 -1.72 0.00 0.00 55.73 53.69 2hg6 s ARG 103 Cb -0.22 -2.85 -0.02 0.00 -0.45 0.00 0.00 34.95 31.41 2hg6 s ARG 103 CO 0.26 0.40 1.03 -0.65 -0.68 0.00 0.00 175.30 175.66 2hg6 s GLN 104 N -3.41 4.43 0.00 3.54 -1.52 -1.26 -4.89 119.66 116.55 2hg6 s GLN 104 Ca 0.38 1.44 0.29 0.00 -1.95 0.00 0.00 55.36 55.51 2hg6 s GLN 104 Cb -0.11 -3.53 1.50 0.00 -0.22 0.00 0.00 33.01 30.66 2hg6 s GLN 104 CO 0.29 -0.29 2.00 1.47 -0.25 0.00 0.00 175.29 178.51 2hg6 n LEU 105 N 4.85 0.00 -0.62 2.90 -0.00 -1.26 -5.22 117.00 117.65 2hg6 n LEU 105 Ca 0.09 0.22 0.08 0.00 -0.00 0.00 0.00 56.01 56.39 2hg6 n LEU 105 Cb 0.49 -0.22 0.06 0.00 -0.00 0.00 0.00 43.42 43.75 2hg6 n LEU 105 CO 0.52 -0.02 0.50 -1.14 -0.00 0.00 0.00 177.39 177.25