#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 4.39 0.21 3.17 0.01 -1.26 -4.78 113.70 115.45 2hg6 s SER 2 Ca 0.00 -0.56 -0.30 0.00 1.31 0.00 0.00 55.95 56.40 2hg6 s SER 2 Cb 0.00 0.23 -0.09 0.00 0.21 0.00 0.00 66.02 66.37 2hg6 s SER 2 CO 0.00 -1.84 1.33 -0.63 0.41 0.00 0.00 173.24 172.51 2hg6 s ILE 3 N -3.08 3.08 0.40 1.44 -1.09 -1.26 -4.87 121.20 115.84 2hg6 s ILE 3 Ca 0.67 0.90 0.00 0.00 -2.23 0.00 0.00 60.65 59.99 2hg6 s ILE 3 Cb -0.04 -3.58 0.08 0.00 -1.58 0.00 0.00 42.46 37.34 2hg6 s ILE 3 CO 0.44 0.14 0.56 0.35 -1.23 0.00 0.00 174.94 175.19 2hg6 n THR 4 N 2.50 0.00 -1.60 2.92 -2.24 -1.26 -5.11 114.28 109.48 2hg6 n THR 4 Ca 0.06 -0.91 -0.01 0.00 -2.27 0.00 0.00 64.05 60.92 2hg6 n THR 4 Cb 0.42 -1.07 0.01 0.00 -2.10 0.00 0.00 70.33 67.59 2hg6 n THR 4 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2hg6 n SER 5 N -2.92 0.03 0.24 3.42 7.64 -1.26 -4.88 113.62 115.89 2hg6 n SER 5 Ca 0.09 -1.03 0.15 0.00 1.01 0.00 0.00 58.87 59.10 2hg6 n SER 5 Cb 0.33 -0.03 0.67 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 -0.73 0.10 -0.21 0.44 2.02 -2.03 -0.70 112.91 111.79 2hg6 h THR 6 Ca -0.02 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.23 2hg6 h THR 6 Cb 0.05 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 2hg6 h THR 6 CO 0.01 0.00 0.49 0.44 0.37 0.00 0.00 175.52 176.83 2hg6 h ASP 7 N 0.00 0.00 -0.76 4.18 3.32 -1.99 0.87 116.42 122.04 2hg6 h ASP 7 Ca 0.08 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.15 2hg6 h ASP 7 Cb 1.09 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.60 2hg6 h ASP 7 CO -0.00 0.00 0.50 -0.29 -1.72 0.00 0.00 179.24 177.73 2hg6 h ILE 8 N 0.00 1.16 -0.03 0.35 2.10 -1.46 0.24 117.51 119.87 2hg6 h ILE 8 Ca 0.10 -0.34 -0.19 0.00 1.08 0.00 0.00 64.86 65.51 2hg6 h ILE 8 Cb 1.07 0.09 -0.01 0.00 -1.09 0.00 0.00 36.82 36.89 2hg6 h ILE 8 CO -0.00 0.18 -0.81 0.00 -1.08 0.00 0.00 178.15 176.44 2hg6 h GLN 10 N 0.18 0.56 -0.15 0.00 1.08 -1.22 -3.13 115.11 112.43 2hg6 h GLN 10 Ca -0.04 -0.43 -0.04 0.00 -1.45 0.00 0.00 58.65 56.69 2hg6 h GLN 10 Cb 1.40 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.90 2hg6 h GLN 10 CO 0.13 1.05 -0.10 0.00 -0.95 0.00 0.00 178.83 178.96 2hg6 h ALA 11 N 0.51 1.55 0.00 3.87 0.00 -0.66 -1.23 119.26 123.30 2hg6 h ALA 11 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2hg6 h ALA 11 Cb 1.12 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2hg6 h ALA 11 CO 0.10 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.68 2hg6 n ALA 12 N -2.49 1.63 0.08 0.00 0.00 -1.18 -1.81 120.51 116.74 2hg6 n ALA 12 Ca -0.01 0.09 0.06 0.00 0.00 0.00 0.00 53.44 53.58 2hg6 n ALA 12 Cb 0.25 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.28 2hg6 n ALA 12 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2hg6 h ASP 13 N 0.00 0.00 -0.11 0.00 3.58 -1.22 -3.33 116.42 115.33 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 0.35 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.40 2hg6 h ASP 13 CO 0.00 0.30 0.00 0.00 -2.88 0.00 0.00 179.24 176.66 2hg6 n ALA 14 N -2.28 2.55 -2.29 -0.78 0.00 -0.75 -4.86 120.51 112.10 2hg6 n ALA 14 Ca -0.04 -0.39 -0.42 0.00 0.00 0.00 0.00 53.44 52.59 2hg6 n ALA 14 Cb 0.69 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.96 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 -1.57 4.36 0.00 0.00 1.43 -1.22 -5.01 118.68 116.67 2hg6 s LEU 15 Ca 0.31 2.15 0.03 0.00 -1.03 0.00 0.00 54.13 55.60 2hg6 s LEU 15 Cb 0.16 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.79 2hg6 s LEU 15 CO 0.25 -0.58 -0.11 -1.59 0.23 0.00 0.00 176.35 174.55 2hg6 s LYS 16 N 1.25 0.86 0.00 1.70 -2.85 -1.24 -3.95 119.74 115.50 2hg6 s LYS 16 Ca 0.62 -0.45 0.00 0.00 -1.00 0.00 0.00 55.97 55.14 2hg6 s LYS 16 Cb -0.33 -0.83 0.00 0.00 -2.06 0.00 0.00 37.83 34.61 2hg6 s LYS 16 CO 0.29 0.22 0.00 0.41 0.10 0.00 0.00 175.35 176.37 2hg6 n GLY 17 N 2.64 4.49 3.19 0.59 0.00 -1.26 -4.68 105.19 110.16 2hg6 n GLY 17 Ca -0.15 -1.33 -0.34 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.02 2.96 -0.18 1.61 0.08 -0.12 0.16 117.98 120.48 2hg6 s PHE 18 Ca 0.00 -1.49 -0.04 0.00 0.12 0.00 0.00 56.93 55.51 2hg6 s PHE 18 Cb 0.00 -2.02 -0.03 0.00 -0.57 0.00 0.00 43.02 40.41 2hg6 s PHE 18 CO 0.00 -0.72 -0.02 0.54 -0.10 0.00 0.00 175.22 174.92 2hg6 s VAL 19 N 1.34 3.93 0.21 -0.44 0.11 0.40 -0.13 120.40 125.81 2hg6 s VAL 19 Ca 0.02 -0.33 -0.01 0.00 -2.93 0.00 0.00 61.98 58.74 2hg6 s VAL 19 Cb -0.15 -2.75 -0.04 0.00 -1.53 0.00 0.00 36.38 31.91 2hg6 s VAL 19 CO -0.07 0.46 0.12 -0.83 -3.33 0.00 0.00 175.10 171.45 2hg6 s GLY 20 N 0.68 1.49 -0.37 6.54 0.00 0.95 -1.53 107.32 115.08 2hg6 s GLY 20 Ca -0.01 -1.73 -0.19 0.00 0.00 0.00 0.00 44.72 42.79 2hg6 s GLY 20 CO 0.02 -1.44 0.57 -0.12 0.00 0.00 0.00 173.10 172.13 2hg6 s PHE 21 N -4.07 3.15 -0.60 1.90 5.36 -1.08 -0.26 117.98 122.37 2hg6 s PHE 21 Ca 0.38 0.16 -0.20 0.00 -0.96 0.00 0.00 56.93 56.31 2hg6 s PHE 21 Cb 0.07 -3.06 0.09 0.00 -0.34 0.00 0.00 43.02 39.77 2hg6 s PHE 21 CO 0.12 -0.63 0.79 1.21 -1.46 0.00 0.00 175.22 175.25 2hg6 s ASN 22 N 1.82 6.19 0.24 6.13 3.04 0.05 -4.27 114.94 128.14 2hg6 s ASN 22 Ca 0.21 -1.19 0.25 0.00 0.04 0.00 0.00 52.86 52.16 2hg6 s ASN 22 Cb -0.15 -2.34 0.89 0.00 -1.54 0.00 0.00 41.25 38.10 2hg6 s ASN 22 CO 0.15 -1.20 1.75 -2.11 -3.04 0.00 0.00 177.10 172.65 2hg6 n ARG 23 N 6.81 0.25 -0.19 0.43 1.85 -1.26 -0.25 116.66 124.30 2hg6 n ARG 23 Ca -0.07 0.32 -0.02 0.00 -1.00 0.00 0.00 57.85 57.08 2hg6 n ARG 23 Cb 0.44 -1.85 0.20 0.00 -1.05 0.00 0.00 32.46 30.19 2hg6 n ARG 23 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 2hg6 h LYS 24 N 0.00 0.94 0.00 2.89 3.64 -1.90 -3.10 116.57 119.04 2hg6 h LYS 24 Ca 0.00 -0.13 -0.23 0.00 -1.27 0.00 0.00 60.65 59.02 2hg6 h LYS 24 Cb 0.59 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.19 2hg6 h LYS 24 CO 0.00 0.74 -2.20 -2.37 -2.27 0.00 0.00 179.45 173.34 2hg6 n THR 25 N -4.33 0.85 -0.81 1.00 5.66 -0.98 -5.00 114.28 110.66 2hg6 n THR 25 Ca 0.06 -0.70 0.00 0.00 -3.05 0.00 0.00 64.05 60.36 2hg6 n THR 25 Cb 0.14 -0.30 0.00 0.00 -1.55 0.00 0.00 70.33 68.63 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 1.61 0.82 3.36 1.09 0.00 0.66 -5.07 105.19 107.65 2hg6 n GLY 26 Ca -0.22 -0.58 -0.19 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.81 1.36 -0.38 1.61 0.52 -1.04 -4.99 118.95 114.23 2hg6 s ARG 27 Ca 0.00 -1.65 -0.14 0.00 -0.52 0.00 0.00 55.73 53.43 2hg6 s ARG 27 Cb 0.00 -0.99 0.01 0.00 0.52 0.00 0.00 34.95 34.49 2hg6 s ARG 27 CO 0.00 0.08 0.27 -0.47 0.02 0.00 0.00 175.30 175.20 2hg6 s TYR 28 N -3.10 3.23 0.19 -0.53 5.04 -1.26 -0.77 117.35 120.15 2hg6 s TYR 28 Ca 0.25 -0.53 0.07 0.00 -2.44 0.00 0.00 57.07 54.42 2hg6 s TYR 28 Cb 0.02 -2.53 -0.04 0.00 0.35 0.00 0.00 41.96 39.76 2hg6 s TYR 28 CO 0.08 -0.53 -0.14 0.96 -1.34 0.00 0.00 175.55 174.58 2hg6 s ILE 29 N 1.67 1.65 -0.03 3.14 -5.25 0.65 -4.91 121.20 118.11 2hg6 s ILE 29 Ca 0.05 -2.11 -0.01 0.00 -0.99 0.00 0.00 60.65 57.59 2hg6 s ILE 29 Cb -0.18 -1.95 -0.04 0.00 2.95 0.00 0.00 42.46 43.24 2hg6 s ILE 29 CO 0.10 -0.56 0.05 0.54 -1.79 0.00 0.00 174.94 173.28 2hg6 s VAL 30 N -2.82 4.58 0.16 8.37 0.11 -1.26 -0.03 120.40 129.51 2hg6 s VAL 30 Ca 0.20 -0.35 0.04 0.00 -2.93 0.00 0.00 61.98 58.93 2hg6 s VAL 30 Cb -0.01 -3.04 -0.05 0.00 -1.53 0.00 0.00 36.38 31.75 2hg6 s VAL 30 CO 0.06 0.44 -0.07 -0.60 -3.33 0.00 0.00 175.10 171.60 2hg6 s ARG 31 N -1.43 1.08 0.03 1.54 6.06 0.81 -4.96 118.95 122.08 2hg6 s ARG 31 Ca 0.19 -1.48 -0.16 0.00 -2.50 0.00 0.00 55.73 51.78 2hg6 s ARG 31 Cb -0.12 -0.53 -0.34 0.00 0.06 0.00 0.00 34.95 34.03 2hg6 s ARG 31 CO 0.09 0.01 1.02 0.35 -2.50 0.00 0.00 175.30 174.28 2hg6 h PHE 32 N 2.74 0.96 -3.52 5.12 3.57 -1.96 -0.28 116.94 123.58 2hg6 h PHE 32 Ca -0.37 -0.67 -0.68 0.00 3.53 0.00 0.00 57.97 59.78 2hg6 h PHE 32 Cb 1.19 -0.05 -0.18 0.00 2.79 0.00 0.00 35.95 39.70 2hg6 h PHE 32 CO 0.62 1.52 -0.67 -1.54 -2.23 0.00 0.00 178.31 176.01 2hg6 s SER 33 N -7.49 4.84 0.17 0.41 1.04 -1.26 -4.13 113.70 107.28 2hg6 s SER 33 Ca -0.10 0.02 -0.07 0.00 0.48 0.00 0.00 55.95 56.28 2hg6 s SER 33 Cb 0.04 -1.33 0.05 0.00 0.10 0.00 0.00 66.02 64.88 2hg6 s SER 33 CO 0.93 0.34 1.50 1.05 0.98 0.00 0.00 173.24 178.04 2hg6 h GLU 34 N 5.40 0.73 -0.73 4.02 4.11 -1.89 -3.23 114.58 122.99 2hg6 h GLU 34 Ca -0.47 -0.42 0.00 0.00 0.07 0.00 0.00 59.36 58.54 2hg6 h GLU 34 Cb 1.18 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2hg6 h GLU 34 CO 0.54 1.04 0.00 -0.40 0.07 0.00 0.00 179.01 180.27 2hg6 n ASP 35 N -4.01 2.03 0.00 3.06 5.75 -1.26 -2.78 116.55 119.34 2hg6 n ASP 35 Ca -0.03 -2.20 0.10 0.00 -0.01 0.00 0.00 54.79 52.66 2hg6 n ASP 35 Cb 0.57 -0.46 -0.06 0.00 -1.03 0.00 0.00 41.12 40.15 2hg6 n ASP 35 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2hg6 n SER 36 N 0.16 0.81 -4.77 -1.12 3.41 -1.22 -4.93 113.62 105.96 2hg6 n SER 36 Ca 0.07 -0.74 -0.37 0.00 -0.26 0.00 0.00 58.87 57.57 2hg6 n SER 36 Cb 0.43 0.96 -0.02 0.00 -0.26 0.00 0.00 64.21 65.32 2hg6 n SER 36 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2hg6 s PHE 37 N -3.06 3.08 0.00 7.33 0.08 -1.12 -5.05 117.98 119.25 2hg6 s PHE 37 Ca 0.07 1.58 0.00 0.00 0.12 0.00 0.00 56.93 58.69 2hg6 s PHE 37 Cb 0.16 -3.31 0.00 0.00 -0.57 0.00 0.00 43.02 39.30 2hg6 s PHE 37 CO 0.84 -1.16 0.00 0.41 -0.10 0.00 0.00 175.22 175.21 2hg6 n GLY 38 N 0.52 1.18 0.00 4.36 0.00 -1.26 -4.94 105.19 105.05 2hg6 n GLY 38 Ca 0.05 -2.00 0.06 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.80 0.26 -0.01 1.61 0.00 -1.26 -2.27 117.12 114.65 2hg6 n MET 39 Ca 0.00 0.11 -0.17 0.00 0.00 0.00 0.00 57.70 57.64 2hg6 n MET 39 Cb 0.00 -1.50 -0.11 0.00 0.00 0.00 0.00 33.22 31.61 2hg6 n MET 39 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 175.97 176.19 2hg6 h ASP 40 N 0.00 0.39 -3.39 3.17 1.82 -1.97 -3.44 116.42 112.99 2hg6 h ASP 40 Ca 0.00 -0.79 -0.55 0.00 -0.39 0.00 0.00 57.03 55.31 2hg6 h ASP 40 Cb 0.08 -0.12 -0.03 0.00 0.68 0.00 0.00 39.33 39.94 2hg6 h ASP 40 CO 0.00 1.13 0.27 -0.69 -1.61 0.00 0.00 179.24 178.34 2hg6 s VAL 41 N -3.09 4.93 0.31 2.25 1.01 -0.96 -4.39 120.40 120.47 2hg6 s VAL 41 Ca -0.14 1.84 -0.27 0.00 0.00 0.00 0.00 61.98 63.41 2hg6 s VAL 41 Cb 0.02 -4.22 -0.10 0.00 0.00 0.00 0.00 36.38 32.09 2hg6 s VAL 41 CO 0.79 0.19 0.96 0.00 0.00 0.00 0.00 175.10 177.04 2hg6 s ALA 42 N 0.93 3.23 0.32 5.51 0.00 -1.26 -4.76 121.76 125.74 2hg6 s ALA 42 Ca 0.47 0.57 0.01 0.00 0.00 0.00 0.00 51.96 53.01 2hg6 s ALA 42 Cb -0.20 -3.20 0.56 0.00 0.00 0.00 0.00 23.12 20.28 2hg6 s ALA 42 CO 0.24 0.13 1.97 0.22 0.00 0.00 0.00 175.76 178.32 2hg6 h ASP 43 N 3.30 0.83 0.77 0.00 3.58 -1.95 -0.23 116.42 122.71 2hg6 h ASP 43 Ca -0.47 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 56.96 2hg6 h ASP 43 Cb 1.20 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 42.05 2hg6 h ASP 43 CO 0.65 0.58 -0.06 -0.78 -2.88 0.00 0.00 179.24 176.75 2hg6 h ASP 44 N 0.97 0.00 -0.11 2.28 3.58 -2.02 -2.26 116.42 118.86 2hg6 h ASP 44 Ca 0.30 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.75 2hg6 h ASP 44 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2hg6 h ASP 44 CO -0.08 0.06 0.00 -1.20 -2.88 0.00 0.00 179.24 175.14 2hg6 n SER 45 N -3.24 1.96 -4.65 2.28 7.64 -0.12 -4.82 113.62 112.67 2hg6 n SER 45 Ca -0.00 -1.69 -0.38 0.00 1.01 0.00 0.00 58.87 57.81 2hg6 n SER 45 Cb 0.29 -0.06 -0.09 0.00 -1.01 0.00 0.00 64.21 63.34 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 -1.88 5.24 -0.06 0.44 1.01 -0.85 -2.65 121.20 122.45 2hg6 s ILE 46 Ca 0.35 0.52 -0.03 0.00 0.00 0.00 0.00 60.65 61.49 2hg6 s ILE 46 Cb 0.20 -3.65 0.04 0.00 0.01 0.00 0.00 42.46 39.05 2hg6 s ILE 46 CO 0.30 0.25 0.13 -0.89 0.00 0.00 0.00 174.94 174.74 2hg6 s THR 47 N 1.44 -0.05 0.38 2.92 2.01 -0.58 -5.00 115.64 116.77 2hg6 s THR 47 Ca 0.15 0.17 -0.28 0.00 0.31 0.00 0.00 61.69 62.04 2hg6 s THR 47 Cb -0.15 -0.21 -0.11 0.00 0.01 0.00 0.00 72.50 72.04 2hg6 s THR 47 CO 0.08 0.07 1.45 -0.81 -0.69 0.00 0.00 174.62 174.71 2hg6 n PRO 48 N 4.09 2.54 0.29 4.92 -0.04 -1.26 -0.45 135.00 145.08 2hg6 n PRO 48 Ca -0.25 0.89 0.14 0.00 -0.04 0.00 0.00 63.50 64.24 2hg6 n PRO 48 Cb 0.52 -2.61 0.85 0.00 -0.04 0.00 0.00 33.50 32.22 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 2.79 0.58 -0.21 0.52 1.03 -0.58 0.46 112.91 117.50 2hg6 h THR 49 Ca -0.50 -0.15 -0.08 0.00 -0.01 0.00 0.00 66.41 65.67 2hg6 h THR 49 Cb 1.25 1.09 -0.00 0.00 -1.07 0.00 0.00 68.15 69.42 2hg6 h THR 49 CO 0.63 0.03 -0.20 -1.28 -0.01 0.00 0.00 175.52 174.70 2hg6 h SER 50 N 0.00 0.53 0.65 0.00 0.87 -1.81 -2.83 113.55 110.96 2hg6 h SER 50 Ca -0.00 -0.47 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 2hg6 h SER 50 Cb 0.09 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 2hg6 h SER 50 CO 0.00 0.89 0.00 1.21 -0.53 0.00 0.00 176.83 178.41 2hg6 n GLU 51 N -4.44 0.30 0.07 2.24 2.13 -0.30 -2.59 120.64 118.06 2hg6 n GLU 51 Ca -0.05 0.02 -0.05 0.00 0.66 0.00 0.00 57.16 57.73 2hg6 n GLU 51 Cb 0.40 -1.50 -0.10 0.00 0.27 0.00 0.00 31.44 30.52 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 -0.74 -3.30 116.94 120.79 2hg6 h PHE 52 Ca 0.00 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.35 2hg6 h PHE 52 Cb 0.32 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 2hg6 h PHE 52 CO 0.00 0.90 -1.36 -0.39 -2.23 0.00 0.00 178.31 175.23 2hg6 h VAL 53 N 0.00 0.46 -3.58 1.41 -1.51 -1.37 -3.44 116.25 108.23 2hg6 h VAL 53 Ca -0.04 -1.92 -0.64 0.00 -1.23 0.00 0.00 66.70 62.87 2hg6 h VAL 53 Cb 1.72 2.00 -0.14 0.00 -2.13 0.00 0.00 31.29 32.74 2hg6 h VAL 53 CO 0.11 0.26 0.05 0.26 -1.23 0.00 0.00 177.57 177.03 2hg6 s TRP 54 N -2.96 3.16 -0.45 5.19 0.52 -1.07 -1.49 118.94 121.85 2hg6 s TRP 54 Ca -0.03 0.25 -0.22 0.00 0.02 0.00 0.00 56.10 56.13 2hg6 s TRP 54 Cb 0.09 -3.05 0.03 0.00 -1.15 0.00 0.00 33.47 29.39 2hg6 s TRP 54 CO 0.81 -0.60 0.70 0.45 0.02 0.00 0.00 176.95 178.33 2hg6 s SER 55 N 1.78 6.35 -0.34 2.95 0.15 0.18 -4.77 113.70 120.00 2hg6 s SER 55 Ca 0.22 -0.30 -0.29 0.00 0.70 0.00 0.00 55.95 56.27 2hg6 s SER 55 Cb -0.15 -2.34 0.01 0.00 -1.71 0.00 0.00 66.02 61.83 2hg6 s SER 55 CO 0.14 -0.85 1.27 -0.44 1.20 0.00 0.00 173.24 174.57 2hg6 s SER 56 N 2.11 6.64 -0.01 5.45 0.01 -1.26 -0.96 113.70 125.68 2hg6 s SER 56 Ca 0.25 1.03 0.20 0.00 1.31 0.00 0.00 55.95 58.73 2hg6 s SER 56 Cb -0.14 -2.54 -0.25 0.00 0.21 0.00 0.00 66.02 63.30 2hg6 s SER 56 CO 0.20 -1.14 0.71 1.33 0.41 0.00 0.00 173.24 174.74 2hg6 n VAL 57 N 6.40 0.00 -3.89 3.43 0.24 -0.68 -4.98 118.33 118.86 2hg6 n VAL 57 Ca 0.14 -0.18 -0.09 0.00 -2.04 0.00 0.00 64.34 62.17 2hg6 n VAL 57 Cb 0.47 0.67 -0.05 0.00 -1.47 0.00 0.00 33.84 33.47 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 -3.06 1.46 0.19 7.34 6.06 -0.15 -4.98 118.95 125.80 2hg6 s ARG 58 Ca 0.02 -1.08 -0.12 0.00 -2.50 0.00 0.00 55.73 52.06 2hg6 s ARG 58 Cb 0.14 0.49 0.18 0.00 0.06 0.00 0.00 34.95 35.82 2hg6 s ARG 58 CO 0.83 -0.61 1.78 -0.44 -2.50 0.00 0.00 175.30 174.36 2hg6 h ASP 59 N 2.25 0.36 -0.01 -2.12 5.19 -2.01 -3.04 116.42 117.05 2hg6 h ASP 59 Ca -0.27 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.18 2hg6 h ASP 59 Cb 1.25 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.74 2hg6 h ASP 59 CO 0.37 0.24 -0.55 -0.90 -3.12 0.00 0.00 179.24 175.28 2hg6 n ASP 60 N -4.89 1.21 -4.19 6.45 5.75 -1.26 -4.91 116.55 114.71 2hg6 n ASP 60 Ca 0.06 -1.11 -0.34 0.00 -0.01 0.00 0.00 54.79 53.39 2hg6 n ASP 60 Cb 0.17 0.74 -0.15 0.00 -1.03 0.00 0.00 41.12 40.85 2hg6 n ASP 60 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2hg6 s VAL 61 N -2.23 2.67 0.25 2.12 1.01 -1.15 -3.07 120.40 119.99 2hg6 s VAL 61 Ca 0.10 -0.92 0.07 0.00 0.00 0.00 0.00 61.98 61.23 2hg6 s VAL 61 Cb 0.13 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 2hg6 s VAL 61 CO 0.54 0.35 -0.09 -0.04 0.00 0.00 0.00 175.10 175.85 2hg6 s MET 62 N 1.33 1.45 0.05 2.72 -1.94 0.61 -0.98 119.30 122.54 2hg6 s MET 62 Ca 0.02 -1.70 0.01 0.00 -1.71 0.00 0.00 55.69 52.32 2hg6 s MET 62 Cb -0.15 -1.13 -0.03 0.00 2.01 0.00 0.00 34.83 35.53 2hg6 s MET 62 CO -0.07 0.10 -0.06 -0.98 -0.01 0.00 0.00 175.02 174.00 2hg6 s ARG 63 N -3.69 0.53 -0.11 2.03 1.70 -0.14 0.01 118.95 119.28 2hg6 s ARG 63 Ca 0.27 -0.87 -0.22 0.00 -0.47 0.00 0.00 55.73 54.43 2hg6 s ARG 63 Cb 0.02 -0.11 -0.03 0.00 -0.57 0.00 0.00 34.95 34.25 2hg6 s ARG 63 CO 0.10 -0.01 0.67 -1.17 -1.08 0.00 0.00 175.30 173.81 2hg6 s LEU 64 N -1.95 4.26 -0.14 -1.89 1.98 0.08 0.52 118.68 121.54 2hg6 s LEU 64 Ca -0.06 1.06 -0.00 0.00 -2.89 0.00 0.00 54.13 52.24 2hg6 s LEU 64 Cb -0.05 -3.01 -0.01 0.00 0.66 0.00 0.00 46.19 43.78 2hg6 s LEU 64 CO -0.02 -0.16 -0.12 -0.83 -1.89 0.00 0.00 176.35 173.33 2hg6 s GLY 65 N 0.89 1.55 0.27 7.98 0.00 -0.55 -4.81 107.32 112.64 2hg6 s GLY 65 Ca 0.34 -0.91 0.08 0.00 0.00 0.00 0.00 44.72 44.23 2hg6 s GLY 65 CO 0.15 -0.13 1.61 0.07 0.00 0.00 0.00 173.10 174.79 2hg6 h ARG 66 N 6.82 0.10 0.00 2.90 0.11 -1.97 -3.09 114.38 119.25 2hg6 h ARG 66 Ca -0.27 -0.07 -0.01 0.00 0.10 0.00 0.00 59.98 59.73 2hg6 h ARG 66 Cb 1.21 0.01 -0.00 0.00 1.11 0.00 0.00 29.97 32.30 2hg6 h ARG 66 CO 0.56 0.66 -0.05 0.93 0.10 0.00 0.00 179.97 182.18 2hg6 h GLU 67 N 0.08 0.00 -0.59 0.08 5.08 -1.97 -0.25 114.58 117.01 2hg6 h GLU 67 Ca -0.01 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2hg6 h GLU 67 Cb 1.06 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 2hg6 h GLU 67 CO 0.08 0.05 0.21 1.96 -1.00 0.00 0.00 179.01 180.31 2hg6 h GLN 68 N 0.00 0.90 0.00 2.33 1.08 -1.85 -2.43 115.11 115.15 2hg6 h GLN 68 Ca -0.00 -0.18 -0.12 0.00 -1.45 0.00 0.00 58.65 56.90 2hg6 h GLN 68 Cb 0.20 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 2hg6 h GLN 68 CO 0.01 0.79 -0.57 -0.07 -0.95 0.00 0.00 178.83 178.04 2hg6 h LEU 69 N 0.83 0.00 -1.92 1.46 3.38 -1.21 -2.78 115.31 115.06 2hg6 h LEU 69 Ca 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 2hg6 h LEU 69 Cb 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2hg6 h LEU 69 CO -0.01 0.57 -0.10 1.56 0.09 0.00 0.00 178.44 180.56 2hg6 h GLN 70 N 0.00 0.00 -0.02 1.13 1.08 -0.91 -0.87 115.11 115.53 2hg6 h GLN 70 Ca -0.01 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.95 2hg6 h GLN 70 Cb 1.11 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.55 2hg6 h GLN 70 CO 0.07 0.10 -0.96 0.82 -0.95 0.00 0.00 178.83 177.91 2hg6 h ILE 71 N 0.00 1.33 0.00 2.54 2.04 -1.21 -3.32 117.51 118.88 2hg6 h ILE 71 Ca -0.00 -2.27 -0.07 0.00 1.00 0.00 0.00 64.86 63.51 2hg6 h ILE 71 Cb 0.19 2.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.59 2hg6 h ILE 71 CO 0.01 0.70 -0.33 -0.07 0.00 0.00 0.00 178.15 178.45 2hg6 h LEU 72 N 0.35 0.00 -2.08 1.44 3.38 -1.09 -2.69 115.31 114.62 2hg6 h LEU 72 Ca -0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2hg6 h LEU 72 Cb 1.60 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.35 2hg6 h LEU 72 CO 0.18 0.33 -0.06 0.17 0.09 0.00 0.00 178.44 179.15 2hg6 h LEU 73 N 0.00 0.00 -1.25 1.67 8.10 -1.34 -2.15 115.31 120.34 2hg6 h LEU 73 Ca -0.00 0.00 0.15 0.00 0.11 0.00 0.00 57.88 58.14 2hg6 h LEU 73 Cb 0.87 0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 41.02 2hg6 h LEU 73 CO 0.04 0.06 0.59 -0.33 -4.11 0.00 0.00 178.44 174.70 2hg6 h GLU 74 N 0.00 0.68 0.07 0.17 4.39 -1.65 -1.54 114.58 116.70 2hg6 h GLU 74 Ca -0.00 -0.04 -0.27 0.00 0.34 0.00 0.00 59.36 59.39 2hg6 h GLU 74 Cb 0.29 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 2hg6 h GLU 74 CO 0.01 0.45 -1.34 1.96 -1.16 0.00 0.00 179.01 178.93 2hg6 h GLN 75 N 0.70 0.14 0.00 2.33 7.50 -1.60 -3.47 115.11 120.72 2hg6 h GLN 75 Ca 0.47 -0.24 0.00 0.00 0.50 0.00 0.00 58.65 59.38 2hg6 h GLN 75 Cb 0.77 0.09 0.00 0.00 0.05 0.00 0.00 27.48 28.39 2hg6 h GLN 75 CO -0.23 1.01 0.00 0.09 -1.50 0.00 0.00 178.83 178.20 2hg6 n ASN 76 N -3.38 -0.98 -3.50 1.46 3.02 -0.58 -4.90 115.26 106.41 2hg6 n ASN 76 Ca -0.10 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.05 2hg6 n ASN 76 Cb 1.01 -1.31 -0.00 0.00 -0.61 0.00 0.00 39.78 38.86 2hg6 n ASN 76 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 2hg6 n ILE 77 N -2.12 5.26 0.28 2.41 -6.64 -1.26 -4.63 119.36 112.65 2hg6 n ILE 77 Ca 0.00 -4.42 0.11 0.00 -1.77 0.00 0.00 62.75 56.68 2hg6 n ILE 77 Cb 0.05 -2.06 0.76 0.00 -1.44 0.00 0.00 39.64 36.95 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 4.62 0.00 -0.22 7.28 2.35 -1.90 0.27 115.58 127.98 2hg6 h ASN 78 Ca 0.68 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 56.33 2hg6 h ASN 78 Cb 0.31 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 2hg6 h ASN 78 CO 1.47 0.01 -0.22 -0.33 -1.65 0.00 0.00 177.43 176.71 2hg6 h GLU 79 N 0.00 0.68 0.09 0.81 3.07 -1.87 0.11 114.58 117.47 2hg6 h GLU 79 Ca -0.00 -0.26 -0.21 0.00 -0.50 0.00 0.00 59.36 58.38 2hg6 h GLU 79 Cb 0.02 -0.04 0.02 0.00 -0.84 0.00 0.00 28.75 27.91 2hg6 h GLU 79 CO 0.00 0.84 -0.89 -0.09 -1.40 0.00 0.00 179.01 177.47 2hg6 h ARG 80 N 0.60 0.44 0.00 2.33 2.43 -1.39 -3.12 114.38 115.67 2hg6 h ARG 80 Ca 0.09 -0.60 -0.01 0.00 -0.81 0.00 0.00 59.98 58.65 2hg6 h ARG 80 Cb 0.70 0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 30.44 2hg6 h ARG 80 CO 0.05 1.24 -0.04 -0.07 -1.51 0.00 0.00 179.97 179.65 2hg6 h LEU 81 N -0.08 0.00 0.92 3.80 3.38 -1.12 -3.47 115.31 118.74 2hg6 h LEU 81 Ca -0.14 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.61 2hg6 h LEU 81 Cb 1.63 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.32 2hg6 h LEU 81 CO 0.17 0.04 -0.23 0.59 0.09 0.00 0.00 178.44 179.09 2hg6 n ASN 82 N -3.17 -4.04 -4.69 -0.43 5.03 0.28 -3.69 115.26 104.55 2hg6 n ASN 82 Ca -0.00 0.16 -0.43 0.00 0.87 0.00 0.00 54.58 55.18 2hg6 n ASN 82 Cb 0.28 -2.80 -0.03 0.00 -1.02 0.00 0.00 39.78 36.21 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 -3.19 0.29 -2.10 2.41 -0.00 -0.54 -4.75 119.36 111.48 2hg6 n ILE 83 Ca -0.12 -0.05 -0.28 0.00 -0.00 0.00 0.00 62.75 62.30 2hg6 n ILE 83 Cb 0.45 -2.05 0.16 0.00 -0.00 0.00 0.00 39.64 38.20 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 2.41 1.76 0.09 7.39 0.00 -1.26 -4.82 107.32 112.89 2hg6 s GLY 84 Ca 0.81 -1.29 -0.21 0.00 0.00 0.00 0.00 44.72 44.04 2hg6 s GLY 84 CO 0.37 -0.59 1.63 0.83 0.00 0.00 0.00 173.10 175.34 2hg6 h GLU 85 N -1.31 0.23 -0.07 2.90 5.08 -1.99 -1.35 114.58 118.07 2hg6 h GLU 85 Ca -0.43 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 57.91 2hg6 h GLU 85 Cb 1.25 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 2hg6 h GLU 85 CO 0.41 0.31 0.17 -1.00 -1.00 0.00 0.00 179.01 177.90 2hg6 h PRO 86 N 0.11 0.00 0.09 2.33 0.13 -1.94 0.12 132.00 132.85 2hg6 h PRO 86 Ca 0.05 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.93 2hg6 h PRO 86 Cb 0.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.29 2hg6 h PRO 86 CO -0.00 0.00 -1.16 -0.07 -0.23 0.00 0.00 178.00 176.54 2hg6 h LEU 87 N 0.00 0.41 -0.24 1.56 -0.00 -1.60 -2.03 115.31 113.40 2hg6 h LEU 87 Ca 0.03 -0.41 -0.11 0.00 -0.00 0.00 0.00 57.88 57.39 2hg6 h LEU 87 Cb 0.38 -0.13 -0.00 0.00 -0.00 0.00 0.00 40.66 40.90 2hg6 h LEU 87 CO -0.00 1.29 -0.29 -0.07 -0.00 0.00 0.00 178.44 179.38 2hg6 h LEU 88 N 0.10 0.68 -1.08 1.67 4.07 -0.13 -3.14 115.31 117.48 2hg6 h LEU 88 Ca -0.11 -0.49 -0.09 0.00 0.08 0.00 0.00 57.88 57.26 2hg6 h LEU 88 Cb 1.87 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 43.40 2hg6 h LEU 88 CO 0.19 1.03 -0.36 -0.37 -1.08 0.00 0.00 178.44 177.85 2hg6 h VAL 89 N 0.34 1.28 -0.74 1.22 -1.51 -1.21 -2.12 116.25 113.51 2hg6 h VAL 89 Ca 0.03 -1.36 0.02 0.00 -1.23 0.00 0.00 66.70 64.16 2hg6 h VAL 89 Cb 0.86 1.61 -0.04 0.00 -2.13 0.00 0.00 31.29 31.59 2hg6 h VAL 89 CO 0.07 0.40 0.49 0.22 -1.23 0.00 0.00 177.57 177.52 2hg6 h TYR 90 N 0.16 0.90 -0.21 5.19 3.20 -1.36 0.35 116.97 125.20 2hg6 h TYR 90 Ca 0.02 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.82 2hg6 h TYR 90 Cb 0.72 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 2hg6 h TYR 90 CO 0.01 0.54 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.73 2hg6 h LEU 91 N 0.95 0.40 0.70 2.82 3.38 -1.34 -3.11 115.31 119.11 2hg6 h LEU 91 Ca 0.28 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2hg6 h LEU 91 Cb -0.03 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.62 2hg6 h LEU 91 CO -0.07 0.67 -0.34 0.03 0.09 0.00 0.00 178.44 178.82 2hg6 h ARG 92 N 0.36 -0.91 -2.87 1.13 2.47 -0.91 -3.48 114.38 110.17 2hg6 h ARG 92 Ca 0.05 0.06 0.06 0.00 -1.26 0.00 0.00 59.98 58.90 2hg6 h ARG 92 Cb 0.67 0.21 -0.03 0.00 -1.65 0.00 0.00 29.97 29.16 2hg6 h ARG 92 CO 0.05 -0.58 0.31 0.50 0.56 0.00 0.00 179.97 180.81 2hg6 s ARG 93 N -5.16 1.83 -0.02 0.04 6.06 -0.03 -5.12 118.95 116.55 2hg6 s ARG 93 Ca -0.16 -1.09 -0.01 0.00 -2.50 0.00 0.00 55.73 51.97 2hg6 s ARG 93 Cb 0.02 0.57 0.02 0.00 0.06 0.00 0.00 34.95 35.62 2hg6 s ARG 93 CO 0.51 -0.85 0.05 1.14 -2.50 0.00 0.00 175.30 173.65 2hg6 s GLN 94 N -3.09 0.01 -0.04 5.12 -2.07 -1.26 -3.78 119.66 114.54 2hg6 s GLN 94 Ca 0.14 0.17 -0.18 0.00 -1.82 0.00 0.00 55.36 53.67 2hg6 s GLN 94 Cb -0.05 -0.15 -0.32 0.00 -1.09 0.00 0.00 33.01 31.41 2hg6 s GLN 94 CO 0.08 -0.12 0.82 0.22 -1.32 0.00 0.00 175.29 174.97 2hg6 h ASP 95 N 6.90 0.57 -3.28 12.60 3.58 -1.97 -3.43 116.42 131.39 2hg6 h ASP 95 Ca -0.38 -0.92 -0.59 0.00 0.42 0.00 0.00 57.03 55.55 2hg6 h ASP 95 Cb 1.15 -0.18 -0.08 0.00 1.72 0.00 0.00 39.33 41.93 2hg6 h ASP 95 CO 0.47 1.58 0.55 -0.76 -2.88 0.00 0.00 179.24 178.20 2hg6 s LEU 96 N -7.66 4.07 0.04 2.28 2.01 -1.26 -4.95 118.68 113.20 2hg6 s LEU 96 Ca -0.14 1.02 -0.26 0.00 0.01 0.00 0.00 54.13 54.76 2hg6 s LEU 96 Cb 0.03 -3.26 -0.17 0.00 0.01 0.00 0.00 46.19 42.80 2hg6 s LEU 96 CO 0.85 -0.60 1.46 -0.65 1.01 0.00 0.00 176.35 178.42 2hg6 h PRO 97 N 7.77 -0.33 -4.32 1.29 0.11 -2.05 -3.39 132.00 131.09 2hg6 h PRO 97 Ca -0.22 0.02 -0.72 0.00 0.11 0.00 0.00 66.00 65.18 2hg6 h PRO 97 Cb 1.08 0.08 -0.29 0.00 0.11 0.00 0.00 31.00 31.98 2hg6 h PRO 97 CO 0.91 -0.09 -0.40 -1.21 -0.21 0.00 0.00 178.00 177.00 2hg6 s GLU 98 N -5.33 2.51 -0.48 1.05 0.41 -1.26 -5.03 118.70 110.58 2hg6 s GLU 98 Ca -0.15 -1.71 -0.16 0.00 -0.41 0.00 0.00 54.97 52.55 2hg6 s GLU 98 Cb 0.03 -3.91 0.07 0.00 -1.78 0.00 0.00 34.13 28.55 2hg6 s GLU 98 CO 0.61 -1.16 0.42 0.42 -0.49 0.00 0.00 175.26 175.06 2hg6 s ILE 99 N 1.38 5.21 0.24 -1.63 1.01 -1.26 -5.05 121.20 121.09 2hg6 s ILE 99 Ca 0.05 -1.03 0.08 0.00 0.00 0.00 0.00 60.65 59.76 2hg6 s ILE 99 Cb -0.26 -4.14 -0.05 0.00 0.01 0.00 0.00 42.46 38.02 2hg6 s ILE 99 CO -0.00 -0.60 -0.13 0.42 0.00 0.00 0.00 174.94 174.63 2hg6 s THR 100 N 1.72 1.85 -0.14 2.92 -4.23 -1.26 -0.74 115.64 115.76 2hg6 s THR 100 Ca 0.05 -2.22 -0.00 0.00 -1.18 0.00 0.00 61.69 58.33 2hg6 s THR 100 Cb -0.24 -2.20 0.02 0.00 1.34 0.00 0.00 72.50 71.42 2hg6 s THR 100 CO 0.07 -0.48 -0.11 0.00 -0.54 0.00 0.00 174.62 173.56 2hg6 s ALA 101 N -2.90 1.61 -0.08 3.99 0.00 0.10 -4.95 121.76 119.53 2hg6 s ALA 101 Ca 0.26 -0.75 -0.05 0.00 0.00 0.00 0.00 51.96 51.42 2hg6 s ALA 101 Cb -0.00 -1.00 0.03 0.00 0.00 0.00 0.00 23.12 22.15 2hg6 s ALA 101 CO 0.10 -0.43 0.19 1.14 0.00 0.00 0.00 175.76 176.75 2hg6 s GLN 102 N 1.59 0.17 -1.13 0.00 -2.07 -1.25 -0.28 119.66 116.69 2hg6 s GLN 102 Ca 0.05 0.36 -0.19 0.00 -1.82 0.00 0.00 55.36 53.76 2hg6 s GLN 102 Cb -0.13 -0.05 0.09 0.00 -1.09 0.00 0.00 33.01 31.83 2hg6 s GLN 102 CO -0.09 -0.11 1.49 -0.98 -1.32 0.00 0.00 175.29 174.28 2hg6 s ARG 103 N 0.75 3.82 0.30 9.60 1.70 -1.18 -4.96 118.95 128.98 2hg6 s ARG 103 Ca -0.05 -1.78 -0.01 0.00 -0.47 0.00 0.00 55.73 53.42 2hg6 s ARG 103 Cb -0.07 -5.30 0.06 0.00 -0.57 0.00 0.00 34.95 29.07 2hg6 s ARG 103 CO -0.04 -2.08 0.41 0.00 -1.08 0.00 0.00 175.30 172.51 2hg6 n GLN 104 N 7.77 0.27 0.09 3.89 10.64 -1.26 -5.04 117.38 133.75 2hg6 n GLN 104 Ca 0.38 -1.07 -0.23 0.00 -1.83 0.00 0.00 57.00 54.25 2hg6 n GLN 104 Cb 0.48 -0.28 -0.15 0.00 -0.86 0.00 0.00 30.24 29.42 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 0.00 0.65 -1.37 2.61 6.46 -2.06 -3.56 115.31 118.03 2hg6 h LEU 105 Ca -0.13 -0.93 0.00 0.00 -0.12 0.00 0.00 57.88 56.70 2hg6 h LEU 105 Cb 0.49 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.21 2hg6 h LEU 105 CO 0.14 1.61 0.00 -2.11 -0.62 0.00 0.00 178.44 177.46