#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 6.08 0.36 7.83 0.01 -1.26 -4.83 113.70 121.89 2hg6 s SER 2 Ca 0.00 1.02 -0.27 0.00 1.31 0.00 0.00 55.95 58.01 2hg6 s SER 2 Cb 0.00 -2.18 -0.09 0.00 0.21 0.00 0.00 66.02 63.95 2hg6 s SER 2 CO 0.00 -0.79 1.26 -0.63 0.41 0.00 0.00 173.24 173.50 2hg6 s ILE 3 N -2.94 2.83 0.40 1.44 -1.09 -1.26 -5.01 121.20 115.58 2hg6 s ILE 3 Ca 0.51 0.77 -0.01 0.00 -2.23 0.00 0.00 60.65 59.69 2hg6 s ILE 3 Cb -0.11 -3.47 0.08 0.00 -1.58 0.00 0.00 42.46 37.39 2hg6 s ILE 3 CO 0.48 0.14 0.55 0.35 -1.23 0.00 0.00 174.94 175.23 2hg6 n THR 4 N 0.47 0.00 -0.95 2.92 -2.24 -1.26 -5.11 114.28 108.12 2hg6 n THR 4 Ca 0.02 -0.80 -0.01 0.00 -2.27 0.00 0.00 64.05 60.99 2hg6 n THR 4 Cb 0.43 -1.19 0.00 0.00 -2.10 0.00 0.00 70.33 67.48 2hg6 n THR 4 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2hg6 n SER 5 N -3.01 -0.14 0.13 3.42 7.64 -1.26 -4.80 113.62 115.61 2hg6 n SER 5 Ca 0.09 -0.94 0.19 0.00 1.01 0.00 0.00 58.87 59.22 2hg6 n SER 5 Cb 0.31 -0.02 0.68 0.00 -1.01 0.00 0.00 64.21 64.17 2hg6 n SER 5 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2hg6 h THR 6 N -1.09 0.20 -0.71 0.44 2.02 -2.03 -0.24 112.91 111.51 2hg6 h THR 6 Ca -0.01 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.38 2hg6 h THR 6 Cb 0.02 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 2hg6 h THR 6 CO 0.01 0.00 0.51 0.44 0.37 0.00 0.00 175.52 176.85 2hg6 h ASP 7 N 0.00 0.00 -0.27 4.18 3.32 -2.00 0.23 116.42 121.88 2hg6 h ASP 7 Ca 0.17 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.17 2hg6 h ASP 7 Cb 1.28 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.81 2hg6 h ASP 7 CO -0.00 0.00 0.02 -0.29 -1.72 0.00 0.00 179.24 177.25 2hg6 h ILE 8 N 0.00 1.20 -0.09 0.35 2.10 -1.34 0.96 117.51 120.69 2hg6 h ILE 8 Ca 0.34 -0.77 -0.24 0.00 1.08 0.00 0.00 64.86 65.26 2hg6 h ILE 8 Cb 1.36 0.90 0.02 0.00 -1.09 0.00 0.00 36.82 38.00 2hg6 h ILE 8 CO -0.00 0.27 -0.90 0.00 -1.08 0.00 0.00 178.15 176.44 2hg6 h GLN 10 N 0.48 0.52 -0.24 0.00 1.08 -1.26 -3.08 115.11 112.62 2hg6 h GLN 10 Ca -0.09 -0.47 -0.01 0.00 -1.45 0.00 0.00 58.65 56.64 2hg6 h GLN 10 Cb 1.54 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 29.06 2hg6 h GLN 10 CO 0.18 1.10 0.12 0.00 -0.95 0.00 0.00 178.83 179.28 2hg6 h ALA 11 N 0.76 1.76 0.00 3.87 0.00 -0.88 -1.68 119.26 123.08 2hg6 h ALA 11 Ca -0.05 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2hg6 h ALA 11 Cb 1.42 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2hg6 h ALA 11 CO 0.15 0.21 -0.17 0.00 0.00 0.00 0.00 179.25 179.43 2hg6 h ALA 12 N 1.80 1.28 0.00 0.00 0.00 -1.49 -1.72 119.26 119.13 2hg6 h ALA 12 Ca 0.09 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2hg6 h ALA 12 Cb 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2hg6 h ALA 12 CO -0.01 0.22 -0.58 0.22 0.00 0.00 0.00 179.25 179.09 2hg6 h ASP 13 N 0.00 0.00 -0.07 0.00 3.58 -1.39 -3.32 116.42 115.22 2hg6 h ASP 13 Ca -0.00 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.37 2hg6 h ASP 13 Cb 0.44 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.49 2hg6 h ASP 13 CO 0.02 0.04 0.00 0.00 -2.88 0.00 0.00 179.24 176.42 2hg6 n ALA 14 N -2.00 2.58 -0.91 -0.78 0.00 -0.65 -4.79 120.51 113.95 2hg6 n ALA 14 Ca 0.02 -0.39 -0.28 0.00 0.00 0.00 0.00 53.44 52.79 2hg6 n ALA 14 Cb 0.49 -1.21 0.21 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.77 1.28 0.04 0.00 1.02 -1.22 -5.02 118.68 113.01 2hg6 s LEU 15 Ca 0.36 1.32 -0.02 0.00 0.02 0.00 0.00 54.13 55.81 2hg6 s LEU 15 Cb 0.19 -3.39 -0.03 0.00 0.02 0.00 0.00 46.19 42.97 2hg6 s LEU 15 CO 0.29 -3.58 0.01 -1.59 0.02 0.00 0.00 176.35 171.50 2hg6 s LYS 16 N -4.76 0.57 0.00 1.70 -2.85 -1.13 -4.63 119.74 108.64 2hg6 s LYS 16 Ca 0.67 -0.99 0.00 0.00 -1.00 0.00 0.00 55.97 54.64 2hg6 s LYS 16 Cb -0.21 0.20 0.00 0.00 -2.06 0.00 0.00 37.83 35.76 2hg6 s LYS 16 CO 0.60 -0.12 0.00 0.41 0.10 0.00 0.00 175.35 176.35 2hg6 n GLY 17 N 0.51 2.69 3.18 0.59 0.00 -1.26 -4.60 105.19 106.30 2hg6 n GLY 17 Ca -0.17 -1.83 -0.33 0.00 0.00 0.00 0.00 46.02 43.69 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 -2.44 2.75 -0.09 1.61 0.40 0.53 -1.73 117.98 119.01 2hg6 s PHE 18 Ca 0.00 -1.37 0.01 0.00 -0.60 0.00 0.00 56.93 54.97 2hg6 s PHE 18 Cb 0.00 -1.89 -0.02 0.00 0.51 0.00 0.00 43.02 41.62 2hg6 s PHE 18 CO 0.00 -0.66 -0.13 0.54 0.70 0.00 0.00 175.22 175.67 2hg6 s VAL 19 N 1.04 3.07 0.32 -0.44 0.11 0.78 -0.24 120.40 125.04 2hg6 s VAL 19 Ca -0.01 -0.68 -0.07 0.00 -2.93 0.00 0.00 61.98 58.28 2hg6 s VAL 19 Cb -0.14 -2.25 0.01 0.00 -1.53 0.00 0.00 36.38 32.46 2hg6 s VAL 19 CO -0.06 0.55 0.52 -0.83 -3.33 0.00 0.00 175.10 171.95 2hg6 s GLY 20 N -0.13 1.05 -0.25 6.54 0.00 0.69 -2.02 107.32 113.20 2hg6 s GLY 20 Ca -0.01 -1.22 -0.10 0.00 0.00 0.00 0.00 44.72 43.38 2hg6 s GLY 20 CO 0.03 -0.80 0.16 -0.12 0.00 0.00 0.00 173.10 172.37 2hg6 s PHE 21 N -3.24 3.27 -0.35 1.90 5.36 -1.26 -0.52 117.98 123.14 2hg6 s PHE 21 Ca 0.26 0.14 -0.17 0.00 -0.96 0.00 0.00 56.93 56.20 2hg6 s PHE 21 Cb -0.01 -2.29 -0.00 0.00 -0.34 0.00 0.00 43.02 40.38 2hg6 s PHE 21 CO 0.16 -0.02 0.46 1.21 -1.46 0.00 0.00 175.22 175.57 2hg6 s ASN 22 N 1.24 6.27 0.52 6.13 3.84 -0.76 -4.33 114.94 127.84 2hg6 s ASN 22 Ca 0.07 -0.15 0.31 0.00 0.21 0.00 0.00 52.86 53.30 2hg6 s ASN 22 Cb -0.14 -2.24 1.18 0.00 -0.55 0.00 0.00 41.25 39.49 2hg6 s ASN 22 CO 0.06 -0.45 1.92 0.08 -2.79 0.00 0.00 177.10 175.92 2hg6 h ARG 23 N 8.49 0.00 0.00 0.43 0.11 -1.82 0.17 114.38 121.76 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 0.05 -0.04 -0.22 0.10 0.00 0.00 179.97 180.61 2hg6 h LYS 24 N 0.00 0.02 0.00 0.08 3.64 -1.93 -3.32 116.57 115.07 2hg6 h LYS 24 Ca -0.00 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.25 2hg6 h LYS 24 Cb 0.61 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 2hg6 h LYS 24 CO 0.01 0.84 -0.60 0.00 -2.27 0.00 0.00 179.45 177.42 2hg6 h THR 25 N -0.78 0.69 -1.90 1.00 1.03 -1.98 -3.48 112.91 107.49 2hg6 h THR 25 Ca -0.01 -2.01 -0.07 0.00 -0.01 0.00 0.00 66.41 64.31 2hg6 h THR 25 Cb 0.85 2.29 0.02 0.00 -1.07 0.00 0.00 68.15 70.24 2hg6 h THR 25 CO 0.01 0.39 -0.12 0.61 -0.01 0.00 0.00 175.52 176.40 2hg6 n GLY 26 N 1.23 0.67 3.60 2.99 0.00 0.57 -5.05 105.19 109.21 2hg6 n GLY 26 Ca 0.01 -0.51 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 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 -5.17 1.52 -0.27 1.61 1.70 -1.18 -5.01 118.95 112.14 2hg6 s ARG 27 Ca 0.10 -1.08 -0.14 0.00 -0.47 0.00 0.00 55.73 54.14 2hg6 s ARG 27 Cb -0.04 0.51 -0.04 0.00 -0.57 0.00 0.00 34.95 34.80 2hg6 s ARG 27 CO 0.13 -0.64 0.33 -0.47 -1.08 0.00 0.00 175.30 173.56 2hg6 s TYR 28 N -3.95 3.24 0.16 5.89 5.04 -1.26 -1.83 117.35 124.64 2hg6 s TYR 28 Ca 0.16 0.34 0.05 0.00 -2.44 0.00 0.00 57.07 55.18 2hg6 s TYR 28 Cb -0.02 -2.53 -0.04 0.00 0.35 0.00 0.00 41.96 39.72 2hg6 s TYR 28 CO 0.04 -0.21 -0.11 0.96 -1.34 0.00 0.00 175.55 174.89 2hg6 s ILE 29 N 2.00 1.32 0.04 3.14 -5.25 0.33 -4.95 121.20 117.83 2hg6 s ILE 29 Ca 0.13 -2.07 0.07 0.00 -0.99 0.00 0.00 60.65 57.79 2hg6 s ILE 29 Cb -0.16 -1.87 -0.03 0.00 2.95 0.00 0.00 42.46 43.35 2hg6 s ILE 29 CO 0.10 -0.68 -0.18 0.54 -1.79 0.00 0.00 174.94 172.92 2hg6 s VAL 30 N -3.14 2.77 0.03 8.37 0.11 -1.26 -0.22 120.40 127.05 2hg6 s VAL 30 Ca 0.17 -1.20 0.01 0.00 -2.93 0.00 0.00 61.98 58.04 2hg6 s VAL 30 Cb 0.01 -2.16 -0.02 0.00 -1.53 0.00 0.00 36.38 32.68 2hg6 s VAL 30 CO 0.02 0.33 -0.05 -0.60 -3.33 0.00 0.00 175.10 171.47 2hg6 s ARG 31 N -1.45 0.41 0.08 1.54 3.52 0.67 -4.97 118.95 118.76 2hg6 s ARG 31 Ca 0.15 -0.59 -0.15 0.00 -0.13 0.00 0.00 55.73 55.01 2hg6 s ARG 31 Cb -0.10 -0.17 -0.16 0.00 -1.56 0.00 0.00 34.95 32.96 2hg6 s ARG 31 CO 0.05 0.02 1.28 0.35 -0.81 0.00 0.00 175.30 176.20 2hg6 h PHE 32 N 4.85 0.94 -3.06 5.12 3.57 -1.93 0.15 116.94 126.59 2hg6 h PHE 32 Ca -0.33 -0.41 -0.63 0.00 3.53 0.00 0.00 57.97 60.13 2hg6 h PHE 32 Cb 1.20 -0.15 -0.11 0.00 2.79 0.00 0.00 35.95 39.68 2hg6 h PHE 32 CO 0.60 1.22 -0.51 -1.12 -2.23 0.00 0.00 178.31 176.28 2hg6 s SER 33 N -6.94 6.09 0.09 0.41 0.01 -1.26 -4.49 113.70 107.62 2hg6 s SER 33 Ca -0.11 0.28 -0.18 0.00 1.31 0.00 0.00 55.95 57.25 2hg6 s SER 33 Cb 0.08 -2.02 -0.07 0.00 0.21 0.00 0.00 66.02 64.22 2hg6 s SER 33 CO 0.88 0.27 1.53 -0.33 0.41 0.00 0.00 173.24 175.99 2hg6 h GLU 34 N 5.99 0.50 0.00 12.44 3.07 -1.96 -2.95 114.58 131.67 2hg6 h GLU 34 Ca -0.46 -0.16 0.00 0.00 -0.50 0.00 0.00 59.36 58.24 2hg6 h GLU 34 Cb 1.18 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.05 2hg6 h GLU 34 CO 0.67 0.66 0.00 0.22 -1.40 0.00 0.00 179.01 179.17 2hg6 h ASP 35 N 0.29 0.00 -0.15 1.42 3.58 -2.00 -2.76 116.42 116.80 2hg6 h ASP 35 Ca 0.08 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.47 2hg6 h ASP 35 Cb 0.44 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.46 2hg6 h ASP 35 CO 0.02 0.00 0.07 -1.20 -2.88 0.00 0.00 179.24 175.25 2hg6 n SER 36 N -2.64 2.62 -4.87 2.28 7.64 -1.11 -4.84 113.62 112.69 2hg6 n SER 36 Ca -0.02 -2.25 -0.32 0.00 1.01 0.00 0.00 58.87 57.29 2hg6 n SER 36 Cb 0.09 -0.55 -0.05 0.00 -1.01 0.00 0.00 64.21 62.68 2hg6 n SER 36 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 2hg6 s PHE 37 N -0.92 3.44 0.53 1.43 -0.71 -1.04 -5.04 117.98 115.67 2hg6 s PHE 37 Ca 0.10 0.93 0.08 0.00 -1.04 0.00 0.00 56.93 57.00 2hg6 s PHE 37 Cb 0.08 -2.30 0.06 0.00 -1.21 0.00 0.00 43.02 39.65 2hg6 s PHE 37 CO 0.02 0.28 0.63 0.20 -1.34 0.00 0.00 175.22 175.01 2hg6 s GLY 38 N -2.27 1.95 0.00 1.99 0.00 -1.26 -4.97 107.32 102.76 2hg6 s GLY 38 Ca 0.47 -1.85 0.16 0.00 0.00 0.00 0.00 44.72 43.49 2hg6 s GLY 38 CO 0.21 -1.72 1.37 1.03 0.00 0.00 0.00 173.10 173.98 2hg6 n MET 39 N -2.01 0.46 0.03 2.90 0.00 -1.26 -0.97 117.12 116.27 2hg6 n MET 39 Ca 0.09 0.02 0.13 0.00 0.00 0.00 0.00 57.70 57.95 2hg6 n MET 39 Cb 0.62 -1.50 0.48 0.00 0.00 0.00 0.00 33.22 32.82 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 -1.04 0.30 -3.95 7.83 8.00 -1.26 -4.73 116.55 121.71 2hg6 n ASP 40 Ca 0.11 0.37 -0.26 0.00 0.71 0.00 0.00 54.79 55.72 2hg6 n ASP 40 Cb 0.06 -0.39 -0.17 0.00 -0.02 0.00 0.00 41.12 40.60 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 -3.03 1.05 0.34 2.53 1.01 -0.14 -2.65 120.40 119.50 2hg6 s VAL 41 Ca 0.12 -0.35 -0.27 0.00 0.00 0.00 0.00 61.98 61.48 2hg6 s VAL 41 Cb 0.17 -1.02 -0.09 0.00 0.00 0.00 0.00 36.38 35.43 2hg6 s VAL 41 CO 0.59 0.36 1.12 0.00 0.00 0.00 0.00 175.10 177.16 2hg6 s ALA 42 N 1.31 3.27 0.44 5.51 0.00 -1.26 -4.63 121.76 126.39 2hg6 s ALA 42 Ca -0.03 0.89 0.21 0.00 0.00 0.00 0.00 51.96 53.03 2hg6 s ALA 42 Cb -0.14 -3.34 1.25 0.00 0.00 0.00 0.00 23.12 20.89 2hg6 s ALA 42 CO -0.04 -0.30 2.04 0.38 0.00 0.00 0.00 175.76 177.84 2hg6 h ASP 43 N 3.15 0.00 0.60 0.00 2.03 -1.97 0.49 116.42 120.73 2hg6 h ASP 43 Ca -0.48 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 55.70 2hg6 h ASP 43 Cb 1.22 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.70 2hg6 h ASP 43 CO 0.64 0.15 -0.56 -0.78 -1.03 0.00 0.00 179.24 177.66 2hg6 h ASP 44 N 0.00 0.00 0.58 4.15 3.58 -2.04 -3.00 116.42 119.69 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 0.32 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.37 2hg6 h ASP 44 CO 0.02 0.56 -0.07 -1.20 -2.88 0.00 0.00 179.24 175.67 2hg6 n SER 45 N -3.82 0.17 -4.56 2.28 7.64 0.13 -4.68 113.62 110.78 2hg6 n SER 45 Ca -0.01 -0.16 -0.39 0.00 1.01 0.00 0.00 58.87 59.32 2hg6 n SER 45 Cb 0.58 -0.23 -0.03 0.00 -1.01 0.00 0.00 64.21 63.52 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 -2.65 3.41 -0.31 0.44 1.01 -0.98 -4.62 121.20 117.50 2hg6 s ILE 46 Ca 0.25 0.28 -0.11 0.00 0.00 0.00 0.00 60.65 61.07 2hg6 s ILE 46 Cb 0.20 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 2hg6 s ILE 46 CO 0.49 -0.85 0.20 -0.89 0.00 0.00 0.00 174.94 173.90 2hg6 s THR 47 N 8.53 5.13 0.21 2.92 2.01 -0.85 -4.92 115.64 128.67 2hg6 s THR 47 Ca 0.68 -0.12 -0.32 0.00 0.31 0.00 0.00 61.69 62.25 2hg6 s THR 47 Cb -0.14 -3.56 -0.11 0.00 0.01 0.00 0.00 72.50 68.70 2hg6 s THR 47 CO 0.23 0.11 1.66 -2.84 -0.69 0.00 0.00 174.62 173.09 2hg6 s PRO 48 N 1.71 4.15 0.57 4.92 0.02 -1.26 -0.15 135.00 144.96 2hg6 s PRO 48 Ca 0.06 2.54 0.28 0.00 0.02 0.00 0.00 61.00 63.90 2hg6 s PRO 48 Cb -0.17 -3.09 1.72 0.00 0.02 0.00 0.00 34.50 32.99 2hg6 s PRO 48 CO 0.10 -0.70 2.23 0.00 -0.33 0.00 0.00 177.00 178.30 2hg6 h THR 49 N 3.81 0.59 0.00 0.99 1.03 -1.64 0.22 112.91 117.90 2hg6 h THR 49 Ca -0.43 -0.06 0.00 0.00 -0.01 0.00 0.00 66.41 65.90 2hg6 h THR 49 Cb 1.20 1.04 0.00 0.00 -1.07 0.00 0.00 68.15 69.32 2hg6 h THR 49 CO 0.92 0.02 0.00 0.28 -0.01 0.00 0.00 175.52 176.73 2hg6 h SER 50 N 0.00 0.00 -0.06 0.00 0.02 -1.82 -2.10 113.55 109.59 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 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2hg6 h SER 50 CO 0.00 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.07 2hg6 n GLU 51 N -2.67 0.81 -0.07 3.45 1.02 0.61 -4.60 120.64 119.20 2hg6 n GLU 51 Ca 0.01 -1.14 -0.22 0.00 -0.02 0.00 0.00 57.16 55.79 2hg6 n GLU 51 Cb 0.24 -1.11 -0.12 0.00 -0.02 0.00 0.00 31.44 30.43 2hg6 n GLU 51 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2hg6 n PHE 52 N 0.20 0.82 0.26 -0.32 7.35 -0.23 -4.19 117.46 121.36 2hg6 n PHE 52 Ca 0.04 0.24 0.15 0.00 -0.76 0.00 0.00 57.45 57.12 2hg6 n PHE 52 Cb 0.20 -1.10 0.67 0.00 0.35 0.00 0.00 39.48 39.60 2hg6 n PHE 52 CO 0.00 0.00 0.00 -0.39 -0.76 0.00 0.00 176.76 175.61 2hg6 h VAL 53 N -0.39 0.26 -3.50 -2.13 -1.51 -1.75 -3.39 116.25 103.84 2hg6 h VAL 53 Ca -0.47 -0.66 -0.61 0.00 -1.23 0.00 0.00 66.70 63.74 2hg6 h VAL 53 Cb 1.75 1.52 -0.11 0.00 -2.13 0.00 0.00 31.29 32.31 2hg6 h VAL 53 CO -0.10 0.09 0.36 0.26 -1.23 0.00 0.00 177.57 176.95 2hg6 s TRP 54 N -3.79 3.15 -0.39 5.19 0.52 -1.26 -0.55 118.94 121.80 2hg6 s TRP 54 Ca -0.00 0.64 -0.15 0.00 0.02 0.00 0.00 56.10 56.60 2hg6 s TRP 54 Cb 0.10 -3.30 0.01 0.00 -1.15 0.00 0.00 33.47 29.13 2hg6 s TRP 54 CO 0.57 -0.65 0.33 0.45 0.02 0.00 0.00 176.95 177.66 2hg6 s SER 55 N 1.75 6.13 -0.30 2.95 0.15 0.21 -4.90 113.70 119.68 2hg6 s SER 55 Ca 0.31 -0.69 -0.29 0.00 0.70 0.00 0.00 55.95 55.98 2hg6 s SER 55 Cb -0.14 -2.18 -0.00 0.00 -1.71 0.00 0.00 66.02 62.00 2hg6 s SER 55 CO 0.15 -0.43 1.38 -0.44 1.20 0.00 0.00 173.24 175.10 2hg6 s SER 56 N 1.72 6.55 0.00 5.45 0.01 -1.26 -0.79 113.70 125.39 2hg6 s SER 56 Ca 0.08 1.22 0.10 0.00 1.31 0.00 0.00 55.95 58.66 2hg6 s SER 56 Cb -0.18 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.51 2hg6 s SER 56 CO 0.11 -1.18 0.64 1.33 0.41 0.00 0.00 173.24 174.55 2hg6 n VAL 57 N 6.40 0.00 -3.89 3.43 0.24 -1.22 -4.98 118.33 118.31 2hg6 n VAL 57 Ca 0.16 -0.39 -0.09 0.00 -2.04 0.00 0.00 64.34 61.98 2hg6 n VAL 57 Cb 0.47 1.12 -0.05 0.00 -1.47 0.00 0.00 33.84 33.90 2hg6 n VAL 57 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2hg6 s ARG 58 N -1.40 1.34 0.07 7.34 3.52 -0.92 -5.03 118.95 123.87 2hg6 s ARG 58 Ca 0.08 -1.08 -0.26 0.00 -0.13 0.00 0.00 55.73 54.34 2hg6 s ARG 58 Cb 0.08 0.45 -0.17 0.00 -1.56 0.00 0.00 34.95 33.76 2hg6 s ARG 58 CO 0.26 -0.54 1.63 -0.44 -0.81 0.00 0.00 175.30 175.40 2hg6 h ASP 59 N 2.34 -0.21 0.09 -2.12 5.19 -2.02 -3.32 116.42 116.37 2hg6 h ASP 59 Ca -0.29 -0.05 -0.36 0.00 -0.62 0.00 0.00 57.03 55.71 2hg6 h ASP 59 Cb 1.25 0.05 -0.06 0.00 0.18 0.00 0.00 39.33 40.75 2hg6 h ASP 59 CO 0.41 -0.09 -2.27 -0.67 -3.12 0.00 0.00 179.24 173.50 2hg6 n ASP 60 N -5.17 0.66 -4.57 6.45 2.03 -1.26 -4.90 116.55 109.79 2hg6 n ASP 60 Ca -0.09 0.05 -0.42 0.00 0.52 0.00 0.00 54.79 54.86 2hg6 n ASP 60 Cb 0.15 0.44 -0.07 0.00 -0.72 0.00 0.00 41.12 40.92 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 -2.52 4.93 0.22 5.18 1.01 -1.25 -4.35 120.40 123.63 2hg6 s VAL 61 Ca -0.15 0.56 0.07 0.00 0.00 0.00 0.00 61.98 62.47 2hg6 s VAL 61 Cb 0.07 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 2hg6 s VAL 61 CO 0.78 -0.26 0.11 -0.04 0.00 0.00 0.00 175.10 175.69 2hg6 s MET 62 N 2.61 2.71 0.03 2.72 -1.94 -0.14 -2.16 119.30 123.11 2hg6 s MET 62 Ca 0.23 -1.09 0.05 0.00 -1.71 0.00 0.00 55.69 53.16 2hg6 s MET 62 Cb -0.15 -2.47 -0.02 0.00 2.01 0.00 0.00 34.83 34.21 2hg6 s MET 62 CO 0.14 0.42 -0.14 -0.98 -0.01 0.00 0.00 175.02 174.46 2hg6 s ARG 63 N -3.49 0.95 -0.17 2.03 1.70 0.03 -0.09 118.95 119.90 2hg6 s ARG 63 Ca 0.31 -0.67 -0.29 0.00 -0.47 0.00 0.00 55.73 54.61 2hg6 s ARG 63 Cb -0.08 -0.94 -0.02 0.00 -0.57 0.00 0.00 34.95 33.34 2hg6 s ARG 63 CO 0.22 0.24 1.34 -1.17 -1.08 0.00 0.00 175.30 174.86 2hg6 s LEU 64 N -0.91 4.14 -0.38 -1.89 1.98 0.37 0.63 118.68 122.62 2hg6 s LEU 64 Ca 0.02 1.68 -0.14 0.00 -2.89 0.00 0.00 54.13 52.80 2hg6 s LEU 64 Cb -0.07 -3.54 0.00 0.00 0.66 0.00 0.00 46.19 43.25 2hg6 s LEU 64 CO 0.01 -0.86 0.28 -0.83 -1.89 0.00 0.00 176.35 173.06 2hg6 s GLY 65 N 2.42 1.99 0.49 7.98 0.00 0.28 -4.41 107.32 116.07 2hg6 s GLY 65 Ca 0.58 -1.57 0.31 0.00 0.00 0.00 0.00 44.72 44.05 2hg6 s GLY 65 CO 0.19 0.87 1.92 0.07 0.00 0.00 0.00 173.10 176.14 2hg6 h ARG 66 N 8.57 0.00 0.00 2.90 -0.00 -1.91 -2.80 114.38 121.14 2hg6 h ARG 66 Ca -0.29 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.68 2hg6 h ARG 66 Cb 1.14 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.10 2hg6 h ARG 66 CO 0.69 0.00 -0.06 1.05 -0.00 0.00 0.00 179.97 181.65 2hg6 h GLU 67 N 0.00 0.00 -0.28 0.08 9.09 -1.95 -1.98 114.58 119.54 2hg6 h GLU 67 Ca 0.00 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.32 2hg6 h GLU 67 Cb 0.51 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.59 2hg6 h GLU 67 CO 0.00 0.06 -0.23 1.96 0.05 0.00 0.00 179.01 180.85 2hg6 h GLN 68 N 0.00 0.52 0.00 1.06 1.08 -1.85 -2.80 115.11 113.12 2hg6 h GLN 68 Ca -0.00 -0.19 -0.07 0.00 -1.45 0.00 0.00 58.65 56.94 2hg6 h GLN 68 Cb 0.20 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 2hg6 h GLN 68 CO 0.01 0.72 -0.32 -0.07 -0.95 0.00 0.00 178.83 178.22 2hg6 h LEU 69 N 0.46 0.00 -1.49 1.46 4.07 -1.53 -2.59 115.31 115.68 2hg6 h LEU 69 Ca 0.07 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.01 2hg6 h LEU 69 Cb 0.65 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.38 2hg6 h LEU 69 CO 0.05 0.32 0.14 1.56 -1.08 0.00 0.00 178.44 179.43 2hg6 h GLN 70 N 0.00 0.48 -0.42 1.13 1.08 -1.55 0.25 115.11 116.08 2hg6 h GLN 70 Ca -0.00 -0.06 -0.15 0.00 -1.45 0.00 0.00 58.65 56.99 2hg6 h GLN 70 Cb 0.66 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.99 2hg6 h GLN 70 CO 0.04 0.40 -0.33 0.82 -0.95 0.00 0.00 178.83 178.81 2hg6 h ILE 71 N 0.48 1.27 0.00 2.54 2.04 -1.57 -2.76 117.51 119.51 2hg6 h ILE 71 Ca 0.12 -1.50 -0.07 0.00 1.00 0.00 0.00 64.86 64.41 2hg6 h ILE 71 Cb 0.09 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 2hg6 h ILE 71 CO -0.01 0.51 -0.34 -0.07 0.00 0.00 0.00 178.15 178.23 2hg6 h LEU 72 N 0.80 0.00 -1.28 1.44 3.38 -1.38 -3.23 115.31 115.05 2hg6 h LEU 72 Ca 0.08 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 2hg6 h LEU 72 Cb 0.92 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 2hg6 h LEU 72 CO 0.09 0.34 -0.31 0.25 0.09 0.00 0.00 178.44 178.89 2hg6 h LEU 73 N 0.00 0.00 0.00 1.67 5.85 -0.22 -2.50 115.31 120.11 2hg6 h LEU 73 Ca -0.00 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 2hg6 h LEU 73 Cb 0.92 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 2hg6 h LEU 73 CO 0.04 0.31 -0.45 1.05 -0.34 0.00 0.00 178.44 179.06 2hg6 h GLU 74 N 0.00 0.00 -3.61 1.25 -0.00 -1.56 -3.38 114.58 107.28 2hg6 h GLU 74 Ca -0.00 0.00 -0.72 0.00 -0.00 0.00 0.00 59.36 58.63 2hg6 h GLU 74 Cb 0.68 0.00 -0.33 0.00 -0.00 0.00 0.00 28.75 29.10 2hg6 h GLU 74 CO 0.04 0.19 -0.20 -1.14 -0.00 0.00 0.00 179.01 177.90 2hg6 s GLN 75 N -3.13 2.94 -1.09 1.06 2.00 -0.94 -5.01 119.66 115.49 2hg6 s GLN 75 Ca 0.04 -2.61 -0.22 0.00 -2.00 0.00 0.00 55.36 50.57 2hg6 s GLN 75 Cb 0.07 -3.95 -0.02 0.00 0.80 0.00 0.00 33.01 29.91 2hg6 s GLN 75 CO 0.73 -1.22 1.81 -0.80 -0.50 0.00 0.00 175.29 175.31 2hg6 s ASN 76 N 0.98 5.68 -0.39 6.67 -0.87 -1.26 -4.66 114.94 121.09 2hg6 s ASN 76 Ca 0.19 -1.48 0.12 0.00 -1.57 0.00 0.00 52.86 50.11 2hg6 s ASN 76 Cb -0.16 -2.58 0.38 0.00 -0.02 0.00 0.00 41.25 38.88 2hg6 s ASN 76 CO -0.06 -2.32 0.85 2.30 -2.57 0.00 0.00 177.10 175.30 2hg6 n ILE 77 N 7.39 0.81 -0.16 0.60 -6.64 -1.26 -4.92 119.36 115.18 2hg6 n ILE 77 Ca 0.42 -4.34 0.09 0.00 -1.77 0.00 0.00 62.75 57.15 2hg6 n ILE 77 Cb 0.47 -0.25 0.41 0.00 -1.44 0.00 0.00 39.64 38.84 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 2.96 0.55 0.50 7.28 4.21 -1.95 0.15 115.58 129.29 2hg6 h ASN 78 Ca 0.07 0.01 -0.06 0.00 1.21 0.00 0.00 56.30 57.52 2hg6 h ASN 78 Cb 0.96 -0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 38.04 2hg6 h ASN 78 CO 0.57 0.34 -0.30 -0.08 -1.29 0.00 0.00 177.43 176.67 2hg6 h GLU 79 N 0.61 0.00 0.00 0.81 4.22 -1.97 0.12 114.58 118.37 2hg6 h GLU 79 Ca 0.32 0.00 -0.09 0.00 0.08 0.00 0.00 59.36 59.67 2hg6 h GLU 79 Cb 0.43 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2hg6 h GLU 79 CO -0.11 0.30 -0.54 -0.09 -2.18 0.00 0.00 179.01 176.39 2hg6 h ARG 80 N 0.00 0.00 0.00 1.92 9.65 -1.16 -3.38 114.38 121.40 2hg6 h ARG 80 Ca -0.00 0.00 -0.14 0.00 -1.10 0.00 0.00 59.98 58.74 2hg6 h ARG 80 Cb 0.63 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.19 2hg6 h ARG 80 CO 0.04 0.76 -0.99 1.25 2.80 0.00 0.00 179.97 183.83 2hg6 h LEU 81 N -1.00 0.00 -2.52 3.80 6.46 -1.27 -3.47 115.31 117.31 2hg6 h LEU 81 Ca -0.13 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.63 2hg6 h LEU 81 Cb 0.94 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.87 2hg6 h LEU 81 CO -0.08 0.54 -0.08 0.59 -0.62 0.00 0.00 178.44 178.79 2hg6 n ASN 82 N -3.04 -6.31 -4.68 1.25 5.03 0.43 -2.83 115.26 105.11 2hg6 n ASN 82 Ca -0.04 0.04 -0.42 0.00 0.87 0.00 0.00 54.58 55.03 2hg6 n ASN 82 Cb 0.79 -4.20 -0.03 0.00 -1.02 0.00 0.00 39.78 35.32 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 -2.83 4.48 0.37 2.41 1.09 -1.23 -4.33 121.20 121.16 2hg6 s ILE 83 Ca 0.04 1.78 -0.27 0.00 -1.10 0.00 0.00 60.65 61.10 2hg6 s ILE 83 Cb -0.01 -4.15 -0.11 0.00 -1.06 0.00 0.00 42.46 37.13 2hg6 s ILE 83 CO 0.56 -0.03 1.21 0.61 -0.10 0.00 0.00 174.94 177.18 2hg6 n GLY 84 N 3.29 0.36 0.09 6.18 0.00 -1.26 -4.92 105.19 108.93 2hg6 n GLY 84 Ca 0.11 0.25 -0.10 0.00 0.00 0.00 0.00 46.02 46.28 2hg6 n GLY 84 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2hg6 h GLU 85 N 2.19 0.11 0.00 1.61 3.07 -1.93 -0.90 114.58 118.72 2hg6 h GLU 85 Ca -0.46 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 2hg6 h GLU 85 Cb 1.30 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 2hg6 h GLU 85 CO 0.61 0.07 0.00 -1.35 -1.40 0.00 0.00 179.01 176.94 2hg6 h PRO 86 N 0.11 0.00 -0.05 2.33 0.11 -1.93 -2.10 132.00 130.47 2hg6 h PRO 86 Ca 0.07 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.03 2hg6 h PRO 86 Cb 0.06 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 2hg6 h PRO 86 CO -0.09 0.00 -0.62 -0.07 -0.21 0.00 0.00 178.00 177.01 2hg6 h LEU 87 N 0.00 0.22 -1.55 2.35 -0.00 -1.47 -2.05 115.31 112.81 2hg6 h LEU 87 Ca 0.00 -0.13 -0.04 0.00 -0.00 0.00 0.00 57.88 57.71 2hg6 h LEU 87 Cb 0.15 -0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 40.74 2hg6 h LEU 87 CO 0.00 0.79 -0.11 -0.07 -0.00 0.00 0.00 178.44 179.05 2hg6 h LEU 88 N 0.14 0.15 -0.34 1.67 -0.00 -1.30 -0.39 115.31 115.23 2hg6 h LEU 88 Ca -0.01 -0.02 -0.11 0.00 -0.00 0.00 0.00 57.88 57.74 2hg6 h LEU 88 Cb 1.13 -0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 41.74 2hg6 h LEU 88 CO 0.09 0.28 -0.20 0.58 -0.00 0.00 0.00 178.44 179.20 2hg6 h VAL 89 N 0.16 1.29 -0.03 1.22 2.07 -1.46 -1.82 116.25 117.68 2hg6 h VAL 89 Ca 0.03 -1.33 -0.06 0.00 0.82 0.00 0.00 66.70 66.17 2hg6 h VAL 89 Cb 0.29 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2hg6 h VAL 89 CO 0.02 0.43 -0.26 0.22 0.02 0.00 0.00 177.57 178.00 2hg6 h TYR 90 N 0.52 0.06 -0.23 1.57 3.20 -0.81 -1.88 116.97 119.39 2hg6 h TYR 90 Ca 0.07 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.80 2hg6 h TYR 90 Cb 0.74 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 2hg6 h TYR 90 CO 0.06 0.32 -0.40 1.25 -1.64 0.00 0.00 178.16 177.75 2hg6 h LEU 91 N 0.05 0.58 0.75 2.82 5.85 -0.85 -3.26 115.31 121.24 2hg6 h LEU 91 Ca 0.01 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 2hg6 h LEU 91 Cb 0.50 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 2hg6 h LEU 91 CO 0.04 0.92 -0.43 0.03 -0.34 0.00 0.00 178.44 178.65 2hg6 h ARG 92 N 0.45 -1.06 -3.17 1.25 3.08 -0.50 -3.44 114.38 110.99 2hg6 h ARG 92 Ca 0.04 0.07 -0.21 0.00 0.07 0.00 0.00 59.98 59.95 2hg6 h ARG 92 Cb 0.90 0.24 -0.30 0.00 0.08 0.00 0.00 29.97 30.89 2hg6 h ARG 92 CO 0.08 -0.71 -0.54 -0.98 -1.07 0.00 0.00 179.97 176.76 2hg6 s ARG 93 N -5.99 0.16 -1.40 0.04 1.70 -1.09 -5.04 118.95 107.33 2hg6 s ARG 93 Ca -0.19 0.41 -0.08 0.00 -0.47 0.00 0.00 55.73 55.41 2hg6 s ARG 93 Cb 0.03 -0.10 0.07 0.00 -0.57 0.00 0.00 34.95 34.38 2hg6 s ARG 93 CO 0.61 -0.14 2.45 0.00 -1.08 0.00 0.00 175.30 177.15 2hg6 n GLN 94 N 3.97 4.16 -0.23 3.89 10.64 -1.25 -4.53 117.38 134.02 2hg6 n GLN 94 Ca -0.23 -3.11 0.02 0.00 -1.83 0.00 0.00 57.00 51.85 2hg6 n GLN 94 Cb 0.54 -2.75 0.14 0.00 -0.86 0.00 0.00 30.24 27.31 2hg6 n GLN 94 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.06 175.45 2hg6 h ASP 95 N 4.93 0.31 -3.02 2.61 3.58 -1.94 -2.95 116.42 119.94 2hg6 h ASP 95 Ca 0.70 0.09 -0.71 0.00 0.42 0.00 0.00 57.03 57.52 2hg6 h ASP 95 Cb 0.36 0.05 -0.21 0.00 1.72 0.00 0.00 39.33 41.25 2hg6 h ASP 95 CO 1.60 0.16 0.01 -0.76 -2.88 0.00 0.00 179.24 177.36 2hg6 s LEU 96 N -10.40 5.50 0.47 2.28 1.43 -1.26 -4.94 118.68 111.76 2hg6 s LEU 96 Ca -0.13 -1.42 0.31 0.00 -1.03 0.00 0.00 54.13 51.87 2hg6 s LEU 96 Cb 0.19 -2.30 1.34 0.00 0.03 0.00 0.00 46.19 45.45 2hg6 s LEU 96 CO 0.76 -1.00 1.93 1.55 0.23 0.00 0.00 176.35 179.82 2hg6 h PRO 97 N 9.07 0.00 -1.78 1.29 0.13 -1.92 -3.37 132.00 135.42 2hg6 h PRO 97 Ca -0.29 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.55 2hg6 h PRO 97 Cb 1.09 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 31.93 2hg6 h PRO 97 CO 1.05 0.00 -0.62 -1.83 -0.23 0.00 0.00 178.00 176.37 2hg6 s GLU 98 N -3.61 0.60 -0.55 0.86 -1.05 -1.26 -4.91 118.70 108.78 2hg6 s GLU 98 Ca 0.01 -0.55 -0.28 0.00 -0.15 0.00 0.00 54.97 54.01 2hg6 s GLU 98 Cb 0.09 -0.53 0.01 0.00 -0.44 0.00 0.00 34.13 33.26 2hg6 s GLU 98 CO 0.48 -1.15 1.49 0.42 0.95 0.00 0.00 175.26 177.45 2hg6 s ILE 99 N 1.76 3.71 -0.12 1.83 1.01 -1.26 -4.88 121.20 123.25 2hg6 s ILE 99 Ca 0.15 0.60 -0.09 0.00 0.00 0.00 0.00 60.65 61.31 2hg6 s ILE 99 Cb -0.13 -4.34 -0.04 0.00 0.01 0.00 0.00 42.46 37.96 2hg6 s ILE 99 CO -0.11 -1.10 0.18 0.42 0.00 0.00 0.00 174.94 174.33 2hg6 s THR 100 N 6.45 5.43 -0.17 2.92 -4.23 -1.26 -0.48 115.64 124.30 2hg6 s THR 100 Ca 0.56 0.30 0.01 0.00 -1.18 0.00 0.00 61.69 61.38 2hg6 s THR 100 Cb -0.12 -3.46 0.02 0.00 1.34 0.00 0.00 72.50 70.28 2hg6 s THR 100 CO 0.25 0.57 -0.20 0.00 -0.54 0.00 0.00 174.62 174.70 2hg6 s ALA 101 N -0.72 2.30 0.01 3.99 0.00 0.87 -4.95 121.76 123.26 2hg6 s ALA 101 Ca 0.15 -1.19 -0.04 0.00 0.00 0.00 0.00 51.96 50.88 2hg6 s ALA 101 Cb -0.12 -1.15 -0.01 0.00 0.00 0.00 0.00 23.12 21.84 2hg6 s ALA 101 CO 0.04 -0.31 0.06 1.14 0.00 0.00 0.00 175.76 176.69 2hg6 s GLN 102 N 1.24 0.42 -1.33 0.00 -2.07 -1.26 -0.97 119.66 115.68 2hg6 s GLN 102 Ca 0.03 -0.54 -0.15 0.00 -1.82 0.00 0.00 55.36 52.88 2hg6 s GLN 102 Cb -0.13 0.16 -0.01 0.00 -1.09 0.00 0.00 33.01 31.94 2hg6 s GLN 102 CO -0.11 -0.09 2.22 0.54 -1.32 0.00 0.00 175.29 176.53 2hg6 n ARG 103 N 1.43 2.63 -2.81 9.60 5.12 -1.26 -4.92 116.66 126.45 2hg6 n ARG 103 Ca -0.23 -2.41 -0.42 0.00 -1.93 0.00 0.00 57.85 52.87 2hg6 n ARG 103 Cb 0.56 -3.17 -0.03 0.00 -1.16 0.00 0.00 32.46 28.65 2hg6 n ARG 103 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 2hg6 s GLN 104 N 3.48 4.43 -0.08 5.56 -2.07 -1.26 -4.92 119.66 124.80 2hg6 s GLN 104 Ca 0.50 1.22 0.13 0.00 -1.82 0.00 0.00 55.36 55.39 2hg6 s GLN 104 Cb 0.14 -3.51 0.40 0.00 -1.09 0.00 0.00 33.01 28.95 2hg6 s GLN 104 CO -0.05 -0.19 1.32 -0.11 -1.32 0.00 0.00 175.29 174.95 2hg6 n LEU 105 N 4.57 3.33 0.00 2.60 7.94 -1.26 -5.30 117.00 128.88 2hg6 n LEU 105 Ca 0.05 -2.45 0.00 0.00 -1.11 0.00 0.00 56.01 52.51 2hg6 n LEU 105 Cb 0.50 -0.36 0.00 0.00 0.53 0.00 0.00 43.42 44.08 2hg6 n LEU 105 CO 0.50 0.70 0.00 -1.14 -1.11 0.00 0.00 177.39 176.34