#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hg5 n VAL 2 N 0.00 0.00 -0.33 -0.39 0.31 -1.26 -4.80 118.33 111.86 2hg5 n VAL 2 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 2hg5 n VAL 2 Cb 0.00 -0.36 0.10 0.00 -0.91 0.00 0.00 33.84 32.67 2hg5 n VAL 2 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2hg5 h GLN 3 N 6.40 1.15 -4.42 5.55 1.08 -1.90 -3.42 115.11 119.55 2hg5 h GLN 3 Ca -0.08 -0.07 -0.52 0.00 -1.45 0.00 0.00 58.65 56.54 2hg5 h GLN 3 Cb 1.02 -0.26 -0.35 0.00 -0.05 0.00 0.00 27.48 27.84 2hg5 h GLN 3 CO 0.78 0.76 -0.81 -0.51 -0.95 0.00 0.00 178.83 178.10 2hg5 s LEU 4 N -10.14 1.47 -0.19 1.46 1.02 -1.26 -0.57 118.68 110.46 2hg5 s LEU 4 Ca -0.13 -0.30 -0.03 0.00 0.02 0.00 0.00 54.13 53.69 2hg5 s LEU 4 Cb 0.17 -0.83 -0.01 0.00 0.02 0.00 0.00 46.19 45.55 2hg5 s LEU 4 CO 0.80 -0.03 -0.07 -1.10 0.02 0.00 0.00 176.35 175.98 2hg5 s GLN 5 N 1.06 3.38 0.07 1.70 -0.21 0.44 -4.37 119.66 121.74 2hg5 s GLN 5 Ca -0.07 -0.64 0.07 0.00 0.02 0.00 0.00 55.36 54.74 2hg5 s GLN 5 Cb -0.15 -2.90 -0.03 0.00 1.00 0.00 0.00 33.01 30.93 2hg5 s GLN 5 CO -0.01 -0.08 -0.20 -0.65 -2.12 0.00 0.00 175.29 172.23 2hg5 s GLN 6 N 1.15 1.18 0.25 2.91 -0.21 -1.26 -1.19 119.66 122.49 2hg5 s GLN 6 Ca 0.02 -1.02 -0.31 0.00 0.02 0.00 0.00 55.36 54.06 2hg5 s GLN 6 Cb -0.14 -1.35 -0.12 0.00 1.00 0.00 0.00 33.01 32.39 2hg5 s GLN 6 CO -0.02 0.33 1.59 -2.30 -2.12 0.00 0.00 175.29 172.77 2hg5 n PRO 7 N 1.47 2.52 -0.23 2.91 -0.02 -1.26 -4.84 135.00 135.55 2hg5 n PRO 7 Ca -0.19 0.90 0.09 0.00 -2.02 0.00 0.00 63.50 62.29 2hg5 n PRO 7 Cb 0.54 -2.67 0.37 0.00 -0.02 0.00 0.00 33.50 31.71 2hg5 n PRO 7 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2hg5 h GLY 8 N 5.29 1.06 -3.10 -1.23 0.00 -1.93 -3.36 103.07 99.80 2hg5 h GLY 8 Ca -0.45 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 46.53 2hg5 h GLY 8 CO 0.84 0.16 -0.01 0.00 0.00 0.00 0.00 176.54 177.53 2hg5 s ALA 9 N -5.67 -1.10 -0.10 3.60 0.00 -1.26 -0.96 121.76 116.27 2hg5 s ALA 9 Ca -0.10 0.11 -0.08 0.00 0.00 0.00 0.00 51.96 51.89 2hg5 s ALA 9 Cb 0.21 0.72 0.03 0.00 0.00 0.00 0.00 23.12 24.07 2hg5 s ALA 9 CO 0.78 -0.66 0.26 -1.21 0.00 0.00 0.00 175.76 174.93 2hg5 s GLU 10 N -3.70 0.27 -0.07 0.00 0.41 0.12 -4.73 118.70 111.00 2hg5 s GLU 10 Ca 0.02 0.42 0.02 0.00 -0.41 0.00 0.00 54.97 55.03 2hg5 s GLU 10 Cb 0.01 0.06 -0.02 0.00 -1.78 0.00 0.00 34.13 32.40 2hg5 s GLU 10 CO -0.12 -0.08 -0.14 -1.17 -0.49 0.00 0.00 175.26 173.27 2hg5 s LEU 11 N 0.52 2.75 -0.01 1.80 2.96 -1.26 -0.87 118.68 124.57 2hg5 s LEU 11 Ca -0.03 -0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 53.64 2hg5 s LEU 11 Cb -0.05 -1.58 0.00 0.00 0.50 0.00 0.00 46.19 45.07 2hg5 s LEU 11 CO -0.03 0.29 0.03 -0.69 -1.32 0.00 0.00 176.35 174.64 2hg5 s VAL 12 N -0.41 0.01 0.24 1.68 1.01 0.95 -4.94 120.40 118.93 2hg5 s VAL 12 Ca 0.05 -0.11 -0.16 0.00 0.00 0.00 0.00 61.98 61.76 2hg5 s VAL 12 Cb -0.12 -0.09 -0.08 0.00 0.00 0.00 0.00 36.38 36.09 2hg5 s VAL 12 CO 0.02 -0.06 0.67 -0.54 0.00 0.00 0.00 175.10 175.20 2hg5 s LYS 13 N -0.16 4.07 0.16 2.72 1.02 -1.25 -0.57 119.74 125.74 2hg5 s LYS 13 Ca -0.02 0.67 -0.34 0.00 0.02 0.00 0.00 55.97 56.31 2hg5 s LYS 13 Cb -0.01 -2.73 -0.15 0.00 -0.52 0.00 0.00 37.83 34.42 2hg5 s LYS 13 CO -0.00 0.33 1.31 -0.35 -0.92 0.00 0.00 175.35 175.72 2hg5 n PRO 14 N 0.32 1.46 0.00 -1.68 -0.04 -1.26 -0.52 135.00 133.27 2hg5 n PRO 14 Ca -0.01 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 63.98 2hg5 n PRO 14 Cb 0.52 -2.13 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 2hg5 n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2hg5 n GLY 15 N 2.36 3.15 0.00 0.55 0.00 0.29 -4.91 105.19 106.63 2hg5 n GLY 15 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2hg5 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hg5 n ALA 16 N -0.74 0.00 -3.25 4.61 0.00 0.32 -3.74 120.51 117.71 2hg5 n ALA 16 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2hg5 n ALA 16 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 2hg5 n ALA 16 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2hg5 s SER 17 N -1.38 -0.24 0.02 0.00 0.01 -1.26 -1.24 113.70 109.60 2hg5 s SER 17 Ca 0.00 0.23 -0.00 0.00 1.31 0.00 0.00 55.95 57.49 2hg5 s SER 17 Cb 0.00 0.40 -0.02 0.00 0.21 0.00 0.00 66.02 66.61 2hg5 s SER 17 CO 0.00 -0.39 -0.02 0.54 0.41 0.00 0.00 173.24 173.78 2hg5 s VAL 18 N -1.03 0.10 -0.29 3.43 0.11 -0.86 -5.01 120.40 116.85 2hg5 s VAL 18 Ca -0.11 -0.80 0.01 0.00 -2.93 0.00 0.00 61.98 58.15 2hg5 s VAL 18 Cb -0.05 -0.24 0.06 0.00 -1.53 0.00 0.00 36.38 34.63 2hg5 s VAL 18 CO 0.04 -0.44 -0.03 -0.75 -3.33 0.00 0.00 175.10 170.59 2hg5 s LYS 19 N -1.30 2.22 0.43 1.54 2.20 -1.26 -1.36 119.74 122.21 2hg5 s LYS 19 Ca -0.14 -1.40 -0.18 0.00 -0.36 0.00 0.00 55.97 53.89 2hg5 s LYS 19 Cb -0.09 -3.08 -0.09 0.00 -1.51 0.00 0.00 37.83 33.06 2hg5 s LYS 19 CO -0.01 -0.66 0.90 -0.51 -0.36 0.00 0.00 175.35 174.72 2hg5 s LEU 20 N 1.14 3.88 0.32 5.43 1.43 -0.67 -4.87 118.68 125.33 2hg5 s LEU 20 Ca -0.04 1.54 0.05 0.00 -1.03 0.00 0.00 54.13 54.65 2hg5 s LEU 20 Cb -0.20 -4.40 -0.06 0.00 0.03 0.00 0.00 46.19 41.56 2hg5 s LEU 20 CO -0.04 -0.39 0.00 -0.94 0.23 0.00 0.00 176.35 175.22 2hg5 s SER 21 N -2.50 2.74 -0.29 2.29 1.04 -1.26 -1.36 113.70 114.37 2hg5 s SER 21 Ca 0.59 -1.30 -0.00 0.00 0.48 0.00 0.00 55.95 55.72 2hg5 s SER 21 Cb -0.10 -0.16 0.18 0.00 0.10 0.00 0.00 66.02 66.04 2hg5 s SER 21 CO 0.20 -0.48 0.54 0.00 0.98 0.00 0.00 173.24 174.48 2hg5 s LYS 23 N 2.76 4.22 0.17 0.00 2.36 -0.34 -1.46 119.74 127.45 2hg5 s LYS 23 Ca 0.17 0.09 0.03 0.00 -2.55 0.00 0.00 55.97 53.71 2hg5 s LYS 23 Cb -0.14 -3.47 -0.03 0.00 -1.05 0.00 0.00 37.83 33.13 2hg5 s LYS 23 CO -0.21 0.14 0.27 0.00 1.55 0.00 0.00 175.35 177.10 2hg5 s ALA 24 N 0.78 3.89 0.28 3.13 0.00 -0.88 -0.42 121.76 128.54 2hg5 s ALA 24 Ca 0.16 -1.11 0.06 0.00 0.00 0.00 0.00 51.96 51.08 2hg5 s ALA 24 Cb -0.14 -1.69 -0.02 0.00 0.00 0.00 0.00 23.12 21.27 2hg5 s ALA 24 CO 0.05 0.47 0.24 0.43 0.00 0.00 0.00 175.76 176.96 2hg5 n SER 25 N -0.69 -0.62 -0.11 0.00 7.64 0.26 -4.95 113.62 115.16 2hg5 n SER 25 Ca -0.08 -2.85 0.00 0.00 1.01 0.00 0.00 58.87 56.95 2hg5 n SER 25 Cb 0.55 1.44 0.00 0.00 -1.01 0.00 0.00 64.21 65.19 2hg5 n SER 25 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hg5 n GLY 26 N -0.54 -1.65 3.74 0.23 0.00 -1.26 -4.83 105.19 100.88 2hg5 n GLY 26 Ca 0.06 -1.32 -0.37 0.00 0.00 0.00 0.00 46.02 44.40 2hg5 n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2hg5 s TYR 27 N 0.00 2.18 -0.04 1.61 1.51 -1.26 -5.04 117.35 116.31 2hg5 s TYR 27 Ca 0.00 1.46 -0.01 0.00 -1.01 0.00 0.00 57.07 57.51 2hg5 s TYR 27 Cb 0.00 -3.69 0.03 0.00 -0.11 0.00 0.00 41.96 38.19 2hg5 s TYR 27 CO 0.00 -2.81 0.02 0.95 -1.11 0.00 0.00 175.55 172.59 2hg5 s THR 28 N -1.40 0.12 0.33 -0.71 -4.23 -1.26 -5.16 115.64 103.33 2hg5 s THR 28 Ca 0.79 0.20 0.10 0.00 -1.18 0.00 0.00 61.69 61.60 2hg5 s THR 28 Cb -0.37 -0.27 -0.06 0.00 1.34 0.00 0.00 72.50 73.13 2hg5 s THR 28 CO 0.41 0.17 -0.12 -0.36 -0.54 0.00 0.00 174.62 174.18 2hg5 s PHE 29 N 1.53 2.37 0.37 3.99 0.08 -1.26 -5.01 117.98 120.05 2hg5 s PHE 29 Ca -0.03 -0.46 0.29 0.00 0.12 0.00 0.00 56.93 56.85 2hg5 s PHE 29 Cb -0.13 -1.29 1.46 0.00 -0.57 0.00 0.00 43.02 42.49 2hg5 s PHE 29 CO -0.03 0.61 2.06 0.00 -0.10 0.00 0.00 175.22 177.76 2hg5 h THR 30 N 2.08 0.47 -0.32 0.64 1.03 -2.01 -2.68 112.91 112.12 2hg5 h THR 30 Ca -0.41 -0.56 -0.11 0.00 -0.01 0.00 0.00 66.41 65.32 2hg5 h THR 30 Cb 1.25 1.38 -0.07 0.00 -1.07 0.00 0.00 68.15 69.65 2hg5 h THR 30 CO 0.68 0.11 0.14 -1.54 -0.01 0.00 0.00 175.52 174.90 2hg5 n SER 31 N -3.52 3.13 -4.73 0.00 3.41 -1.26 -4.64 113.62 106.01 2hg5 n SER 31 Ca -0.01 -2.52 -0.36 0.00 -0.26 0.00 0.00 58.87 55.71 2hg5 n SER 31 Cb 0.25 -0.61 -0.07 0.00 -0.26 0.00 0.00 64.21 63.52 2hg5 n SER 31 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2hg5 s ASP 32 N -0.11 6.46 -0.08 4.04 1.01 -1.01 -2.40 116.67 124.58 2hg5 s ASP 32 Ca 0.23 0.54 0.03 0.00 0.71 0.00 0.00 52.55 54.06 2hg5 s ASP 32 Cb 0.18 -2.19 -0.02 0.00 1.01 0.00 0.00 42.92 41.91 2hg5 s ASP 32 CO 0.05 0.09 -0.18 0.26 0.21 0.00 0.00 175.17 175.61 2hg5 s TRP 33 N 0.46 2.64 -0.20 4.23 0.52 0.09 -3.98 118.94 122.70 2hg5 s TRP 33 Ca 0.17 -0.56 -0.07 0.00 0.02 0.00 0.00 56.10 55.67 2hg5 s TRP 33 Cb -0.13 -1.69 -0.04 0.00 -1.15 0.00 0.00 33.47 30.46 2hg5 s TRP 33 CO 0.04 -0.11 0.05 0.42 0.02 0.00 0.00 176.95 177.38 2hg5 s ILE 34 N -0.13 4.54 0.19 2.03 -1.09 -0.24 -0.57 121.20 125.93 2hg5 s ILE 34 Ca -0.03 -0.11 0.07 0.00 -2.23 0.00 0.00 60.65 58.35 2hg5 s ILE 34 Cb -0.14 -3.07 -0.04 0.00 -1.58 0.00 0.00 42.46 37.64 2hg5 s ILE 34 CO 0.04 0.42 0.04 -1.00 -1.23 0.00 0.00 174.94 173.21 2hg5 s HIS 35 N 0.78 2.90 -0.10 3.97 3.76 -0.32 -1.22 115.29 125.07 2hg5 s HIS 35 Ca 0.03 -0.13 0.02 0.00 -0.15 0.00 0.00 55.06 54.83 2hg5 s HIS 35 Cb -0.14 -1.38 0.01 0.00 1.11 0.00 0.00 32.58 32.19 2hg5 s HIS 35 CO 0.02 0.53 -0.15 -1.58 -0.85 0.00 0.00 174.74 172.71 2hg5 s TRP 36 N -1.86 1.92 -0.07 1.40 0.52 -0.74 -1.38 118.94 118.73 2hg5 s TRP 36 Ca 0.29 -0.87 0.05 0.00 0.02 0.00 0.00 56.10 55.59 2hg5 s TRP 36 Cb -0.09 -1.38 -0.01 0.00 -1.15 0.00 0.00 33.47 30.84 2hg5 s TRP 36 CO 0.20 -0.44 -0.24 0.08 0.02 0.00 0.00 176.95 176.57 2hg5 s VAL 37 N 0.91 1.98 -0.18 4.03 1.01 -0.32 -0.76 120.40 127.08 2hg5 s VAL 37 Ca -0.08 -1.01 -0.05 0.00 0.00 0.00 0.00 61.98 60.83 2hg5 s VAL 37 Cb -0.15 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 2hg5 s VAL 37 CO -0.00 0.55 0.01 -0.75 0.00 0.00 0.00 175.10 174.91 2hg5 s LYS 38 N 0.04 3.75 -0.20 2.72 2.20 -0.13 0.12 119.74 128.24 2hg5 s LYS 38 Ca -0.09 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.06 2hg5 s LYS 38 Cb -0.15 -3.08 0.05 0.00 -1.51 0.00 0.00 37.83 33.14 2hg5 s LYS 38 CO 0.05 0.16 -0.07 -1.14 -0.36 0.00 0.00 175.35 173.99 2hg5 s GLN 39 N 0.63 1.74 0.34 4.03 0.74 0.16 -1.27 119.66 126.03 2hg5 s GLN 39 Ca 0.00 -0.81 -0.22 0.00 0.05 0.00 0.00 55.36 54.38 2hg5 s GLN 39 Cb -0.14 -2.38 -0.10 0.00 1.10 0.00 0.00 33.01 31.50 2hg5 s GLN 39 CO 0.02 -0.49 0.88 1.03 -0.55 0.00 0.00 175.29 176.19 2hg5 s ARG 40 N 1.46 4.34 0.27 1.67 0.52 -1.26 -1.35 118.95 124.60 2hg5 s ARG 40 Ca -0.02 1.10 -0.29 0.00 -0.52 0.00 0.00 55.73 56.00 2hg5 s ARG 40 Cb -0.17 -2.57 -0.14 0.00 0.52 0.00 0.00 34.95 32.60 2hg5 s ARG 40 CO -0.07 0.18 1.19 -0.35 0.02 0.00 0.00 175.30 176.27 2hg5 n PRO 41 N 0.08 1.67 -0.54 3.54 -0.04 -1.26 -1.05 135.00 137.40 2hg5 n PRO 41 Ca 0.03 0.59 0.00 0.00 -0.04 0.00 0.00 63.50 64.08 2hg5 n PRO 41 Cb 0.52 -2.10 0.00 0.00 -0.04 0.00 0.00 33.50 31.88 2hg5 n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2hg5 n GLY 42 N 1.45 0.97 3.12 0.55 0.00 -1.26 -4.96 105.19 105.06 2hg5 n GLY 42 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 2hg5 n GLY 42 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2hg5 n HIS 43 N -2.00 0.25 -1.07 1.61 8.25 -0.22 -5.16 115.22 116.88 2hg5 n HIS 43 Ca 0.00 -2.04 0.00 0.00 -0.26 0.00 0.00 57.72 55.42 2hg5 n HIS 43 Cb 0.00 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 30.79 2hg5 n HIS 43 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2hg5 n GLY 44 N -0.30 0.04 3.81 -1.41 0.00 -1.26 -4.64 105.19 101.42 2hg5 n GLY 44 Ca -0.11 -1.79 -0.38 0.00 0.00 0.00 0.00 46.02 43.74 2hg5 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hg5 s LEU 45 N 0.00 4.45 -0.24 0.99 1.43 -1.26 -4.10 118.68 119.95 2hg5 s LEU 45 Ca 0.00 0.99 -0.01 0.00 -1.03 0.00 0.00 54.13 54.08 2hg5 s LEU 45 Cb 0.00 -2.67 0.07 0.00 0.03 0.00 0.00 46.19 43.62 2hg5 s LEU 45 CO 0.00 0.25 0.02 -0.70 0.23 0.00 0.00 176.35 176.15 2hg5 s GLU 46 N -0.74 1.06 0.11 1.70 2.12 -0.40 -4.97 118.70 117.58 2hg5 s GLU 46 Ca 0.25 -0.83 -0.32 0.00 0.36 0.00 0.00 54.97 54.44 2hg5 s GLU 46 Cb -0.17 -2.31 -0.11 0.00 0.26 0.00 0.00 34.13 31.80 2hg5 s GLU 46 CO 0.14 -0.71 1.80 1.87 -0.54 0.00 0.00 175.26 177.82 2hg5 n TRP 47 N 4.83 2.54 -0.13 5.30 -0.00 -1.26 -0.95 117.44 127.77 2hg5 n TRP 47 Ca -0.08 -0.07 -0.28 0.00 -0.00 0.00 0.00 57.50 57.07 2hg5 n TRP 47 Cb 0.45 -2.70 -0.10 0.00 -0.00 0.00 0.00 31.31 28.96 2hg5 n TRP 47 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 177.69 176.80 2hg5 n ILE 48 N 4.55 1.53 -4.02 5.87 5.41 0.06 -4.67 119.36 128.10 2hg5 n ILE 48 Ca 0.18 -0.30 0.03 0.00 1.00 0.00 0.00 62.75 63.66 2hg5 n ILE 48 Cb 0.35 -1.91 0.01 0.00 -0.71 0.00 0.00 39.64 37.38 2hg5 n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2hg5 n GLY 49 N 1.31 0.20 3.20 7.39 0.00 -1.21 -0.62 105.19 115.46 2hg5 n GLY 49 Ca -0.49 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.45 2hg5 n GLY 49 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2hg5 s GLU 50 N -2.00 0.78 -0.00 1.61 -1.05 -0.11 -1.80 118.70 116.13 2hg5 s GLU 50 Ca 0.25 -0.82 -0.08 0.00 -0.15 0.00 0.00 54.97 54.18 2hg5 s GLU 50 Cb -0.00 0.32 0.00 0.00 -0.44 0.00 0.00 34.13 34.01 2hg5 s GLU 50 CO -0.02 -0.24 0.15 -1.50 0.95 0.00 0.00 175.26 174.60 2hg5 s ILE 51 N -3.32 0.08 -0.39 1.83 2.07 -0.35 -1.07 121.20 120.05 2hg5 s ILE 51 Ca 0.01 -0.65 -0.02 0.00 -1.41 0.00 0.00 60.65 58.57 2hg5 s ILE 51 Cb 0.02 -0.43 0.10 0.00 0.13 0.00 0.00 42.46 42.28 2hg5 s ILE 51 CO -0.08 -0.36 0.17 -0.51 -1.91 0.00 0.00 174.94 172.25 2hg5 s ILE 52 N -1.31 3.21 0.16 2.00 2.07 0.20 -1.08 121.20 126.44 2hg5 s ILE 52 Ca -0.14 -1.97 -0.25 0.00 -1.41 0.00 0.00 60.65 56.88 2hg5 s ILE 52 Cb -0.07 -3.16 0.02 0.00 0.13 0.00 0.00 42.46 39.38 2hg5 s ILE 52 CO 0.02 -0.60 1.59 -0.65 -1.91 0.00 0.00 174.94 173.38 2hg5 h PRO 53 N 8.02 -0.31 -0.61 3.50 0.11 -1.87 1.33 132.00 142.18 2hg5 h PRO 53 Ca -0.14 0.02 0.18 0.00 0.11 0.00 0.00 66.00 66.17 2hg5 h PRO 53 Cb 1.05 0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 2hg5 h PRO 53 CO 0.67 -0.20 0.60 0.66 -0.21 0.00 0.00 178.00 179.51 2hg5 h SER 54 N -0.32 0.00 0.00 -2.05 4.64 -1.84 -2.23 113.55 111.75 2hg5 h SER 54 Ca 0.14 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.41 2hg5 h SER 54 Cb 0.57 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 2hg5 h SER 54 CO -0.53 0.00 -1.35 0.00 -0.87 0.00 0.00 176.83 174.08 2hg5 n TYR 55 N -3.75 0.00 -0.71 4.77 9.36 -0.81 -5.04 117.16 120.98 2hg5 n TYR 55 Ca 0.12 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.34 2hg5 n TYR 55 Cb 0.83 -0.22 0.00 0.00 -0.63 0.00 0.00 39.34 39.32 2hg5 n TYR 55 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2hg5 n GLY 56 N 2.37 0.70 3.84 2.98 0.00 0.45 -5.04 105.19 110.50 2hg5 n GLY 56 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 2hg5 n GLY 56 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hg5 s ARG 57 N -0.29 3.94 0.08 1.61 3.52 -1.21 -4.84 118.95 121.76 2hg5 s ARG 57 Ca 0.00 0.43 0.04 0.00 -0.13 0.00 0.00 55.73 56.07 2hg5 s ARG 57 Cb 0.00 -3.08 -0.03 0.00 -1.56 0.00 0.00 34.95 30.28 2hg5 s ARG 57 CO 0.00 0.58 -0.11 0.00 -0.81 0.00 0.00 175.30 174.97 2hg5 s ALA 58 N -1.29 0.99 0.09 6.12 0.00 -1.26 -0.63 121.76 125.78 2hg5 s ALA 58 Ca 0.31 -1.03 0.06 0.00 0.00 0.00 0.00 51.96 51.30 2hg5 s ALA 58 Cb -0.16 -0.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 2hg5 s ALA 58 CO 0.17 0.02 -0.15 -0.80 0.00 0.00 0.00 175.76 175.00 2hg5 s ASN 59 N -2.04 1.87 0.09 0.00 0.01 -0.23 -4.98 114.94 109.66 2hg5 s ASN 59 Ca -0.00 -0.66 0.05 0.00 -0.71 0.00 0.00 52.86 51.54 2hg5 s ASN 59 Cb -0.07 -0.07 -0.03 0.00 0.41 0.00 0.00 41.25 41.50 2hg5 s ASN 59 CO 0.01 -0.07 -0.14 -0.31 -1.51 0.00 0.00 177.10 175.08 2hg5 s TYR 60 N -1.42 1.29 0.04 2.20 1.51 -1.26 -0.93 117.35 118.78 2hg5 s TYR 60 Ca 0.01 -0.50 -0.30 0.00 -1.01 0.00 0.00 57.07 55.27 2hg5 s TYR 60 Cb -0.09 -0.71 -0.09 0.00 -0.11 0.00 0.00 41.96 40.97 2hg5 s TYR 60 CO 0.03 0.09 1.89 1.21 -1.11 0.00 0.00 175.55 177.65 2hg5 s ASN 61 N -2.00 6.48 0.16 2.29 2.47 0.21 -4.89 114.94 119.65 2hg5 s ASN 61 Ca 0.02 2.63 0.06 0.00 0.42 0.00 0.00 52.86 55.99 2hg5 s ASN 61 Cb -0.08 -2.54 -0.04 0.00 -1.45 0.00 0.00 41.25 37.14 2hg5 s ASN 61 CO 0.02 -1.02 1.37 -0.33 -3.72 0.00 0.00 177.10 173.42 2hg5 h GLU 62 N 9.97 0.06 0.00 0.43 4.39 -1.95 -3.28 114.58 124.19 2hg5 h GLU 62 Ca -0.47 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.15 2hg5 h GLU 62 Cb 1.22 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 2hg5 h GLU 62 CO 0.94 0.91 0.00 1.63 -1.16 0.00 0.00 179.01 181.34 2hg5 n LYS 63 N -3.53 0.38 -3.81 2.33 5.02 -1.26 -4.72 118.16 112.56 2hg5 n LYS 63 Ca -0.02 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.15 2hg5 n LYS 63 Cb 0.84 -1.24 -0.09 0.00 -0.02 0.00 0.00 35.03 34.52 2hg5 n LYS 63 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2hg5 s ILE 64 N -2.00 0.08 0.25 -0.18 -4.36 -1.24 -5.14 121.20 108.61 2hg5 s ILE 64 Ca 0.09 -0.62 -0.30 0.00 -0.26 0.00 0.00 60.65 59.55 2hg5 s ILE 64 Cb 0.04 -0.59 -0.14 0.00 1.25 0.00 0.00 42.46 43.02 2hg5 s ILE 64 CO 0.07 -0.34 1.21 0.00 0.24 0.00 0.00 174.94 176.12 2hg5 n GLN 65 N 1.24 1.63 -2.82 0.37 0.00 -1.26 -4.89 117.38 111.64 2hg5 n GLN 65 Ca -0.22 0.57 -0.43 0.00 0.00 0.00 0.00 57.00 56.93 2hg5 n GLN 65 Cb 0.56 -2.10 -0.01 0.00 0.00 0.00 0.00 30.24 28.69 2hg5 n GLN 65 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 2hg5 s LYS 66 N -0.96 3.83 0.27 2.61 2.20 -1.26 -4.75 119.74 121.69 2hg5 s LYS 66 Ca 0.65 -1.99 0.20 0.00 -0.36 0.00 0.00 55.97 54.47 2hg5 s LYS 66 Cb -0.70 -5.14 0.10 0.00 -1.51 0.00 0.00 37.83 30.58 2hg5 s LYS 66 CO 0.55 -1.91 1.27 0.87 -0.36 0.00 0.00 175.35 175.77 2hg5 h LYS 67 N 8.19 0.00 -5.98 4.03 1.79 -1.90 -3.47 116.57 119.23 2hg5 h LYS 67 Ca 0.27 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 58.14 2hg5 h LYS 67 Cb 0.94 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.56 2hg5 h LYS 67 CO 1.26 0.14 -0.46 0.00 -1.08 0.00 0.00 179.45 179.31 2hg5 s ALA 68 N -3.17 3.97 -0.04 3.86 0.00 -1.26 -1.68 121.76 123.44 2hg5 s ALA 68 Ca 0.02 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 2hg5 s ALA 68 Cb 0.08 -1.86 0.03 0.00 0.00 0.00 0.00 23.12 21.36 2hg5 s ALA 68 CO 0.75 0.73 0.04 0.99 0.00 0.00 0.00 175.76 178.27 2hg5 s THR 69 N -1.59 -0.01 -0.12 0.00 2.01 -0.85 -4.94 115.64 110.13 2hg5 s THR 69 Ca 0.36 0.32 -0.07 0.00 0.31 0.00 0.00 61.69 62.61 2hg5 s THR 69 Cb -0.12 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 72.15 2hg5 s THR 69 CO 0.28 0.17 0.13 -0.76 -0.69 0.00 0.00 174.62 173.75 2hg5 s LEU 70 N 1.86 4.32 0.06 4.42 1.43 -1.26 -1.10 118.68 128.41 2hg5 s LEU 70 Ca 0.01 0.43 -0.04 0.00 -1.03 0.00 0.00 54.13 53.51 2hg5 s LEU 70 Cb -0.12 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 2hg5 s LEU 70 CO -0.03 0.40 0.05 0.42 0.23 0.00 0.00 176.35 177.42 2hg5 s THR 71 N -0.95 0.18 0.04 5.49 -4.23 -0.91 -4.86 115.64 110.40 2hg5 s THR 71 Ca 0.14 -1.47 0.01 0.00 -1.18 0.00 0.00 61.69 59.20 2hg5 s THR 71 Cb -0.12 -1.30 -0.03 0.00 1.34 0.00 0.00 72.50 72.40 2hg5 s THR 71 CO 0.04 -0.81 -0.05 0.00 -0.54 0.00 0.00 174.62 173.25 2hg5 s ALA 72 N -3.55 0.45 -0.31 3.99 0.00 -1.26 -1.32 121.76 119.76 2hg5 s ALA 72 Ca 0.03 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.18 2hg5 s ALA 72 Cb 0.05 0.12 0.09 0.00 0.00 0.00 0.00 23.12 23.38 2hg5 s ALA 72 CO -0.09 -0.14 0.05 0.34 0.00 0.00 0.00 175.76 175.93 2hg5 s ASP 73 N -1.86 4.25 0.17 0.00 3.68 -0.38 -5.01 116.67 117.52 2hg5 s ASP 73 Ca -0.08 -1.74 -0.14 0.00 2.13 0.00 0.00 52.55 52.72 2hg5 s ASP 73 Cb -0.06 -1.19 0.13 0.00 -1.45 0.00 0.00 42.92 40.34 2hg5 s ASP 73 CO -0.02 -0.37 1.74 0.11 0.13 0.00 0.00 175.17 176.76 2hg5 h LYS 74 N 7.89 0.28 0.18 4.34 1.57 -1.90 -1.51 116.57 127.43 2hg5 h LYS 74 Ca -0.11 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2hg5 h LYS 74 Cb 1.03 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.23 2hg5 h LYS 74 CO 0.48 0.18 -0.50 0.66 -0.57 0.00 0.00 179.45 179.70 2hg5 h SER 75 N 0.28 -1.46 -0.13 0.86 4.64 -1.97 -2.66 113.55 113.11 2hg5 h SER 75 Ca 0.21 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 2hg5 h SER 75 Cb 0.22 0.53 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 2hg5 h SER 75 CO -0.23 -0.56 0.00 -1.54 -0.87 0.00 0.00 176.83 173.63 2hg5 n SER 76 N -5.50 0.85 -4.20 4.97 3.41 -1.21 -4.93 113.62 107.01 2hg5 n SER 76 Ca -0.09 -1.80 -0.31 0.00 -0.26 0.00 0.00 58.87 56.41 2hg5 n SER 76 Cb 0.41 -0.08 -0.06 0.00 -0.26 0.00 0.00 64.21 64.22 2hg5 n SER 76 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2hg5 n SER 77 N -0.12 -0.30 -4.19 4.04 7.64 -0.59 -4.82 113.62 115.28 2hg5 n SER 77 Ca 0.10 -1.15 -0.26 0.00 1.01 0.00 0.00 58.87 58.57 2hg5 n SER 77 Cb 0.16 -2.26 -0.16 0.00 -1.01 0.00 0.00 64.21 60.95 2hg5 n SER 77 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2hg5 s THR 78 N -3.99 1.52 -0.08 0.44 2.01 -1.09 -2.07 115.64 112.38 2hg5 s THR 78 Ca 0.18 -0.81 -0.01 0.00 0.31 0.00 0.00 61.69 61.36 2hg5 s THR 78 Cb -0.10 -1.27 -0.03 0.00 0.01 0.00 0.00 72.50 71.11 2hg5 s THR 78 CO 0.95 0.43 -0.04 0.00 -0.69 0.00 0.00 174.62 175.28 2hg5 s ALA 79 N -0.37 3.11 0.12 7.40 0.00 -0.54 -1.25 121.76 130.24 2hg5 s ALA 79 Ca 0.06 -0.85 0.09 0.00 0.00 0.00 0.00 51.96 51.26 2hg5 s ALA 79 Cb -0.08 -1.37 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 2hg5 s ALA 79 CO -0.00 0.55 -0.22 -0.06 0.00 0.00 0.00 175.76 176.02 2hg5 s PHE 80 N -0.73 1.96 -0.20 0.00 0.40 -0.43 -1.60 117.98 117.38 2hg5 s PHE 80 Ca 0.11 -0.41 -0.02 0.00 -0.60 0.00 0.00 56.93 56.01 2hg5 s PHE 80 Cb -0.11 -1.05 0.06 0.00 0.51 0.00 0.00 43.02 42.42 2hg5 s PHE 80 CO 0.02 0.28 0.01 1.41 0.70 0.00 0.00 175.22 177.64 2hg5 s MET 81 N -2.12 0.88 -0.56 0.44 1.75 -0.47 -2.14 119.30 117.08 2hg5 s MET 81 Ca 0.11 -0.52 -0.25 0.00 -1.25 0.00 0.00 55.69 53.78 2hg5 s MET 81 Cb -0.09 -2.16 0.04 0.00 2.84 0.00 0.00 34.83 35.46 2hg5 s MET 81 CO 0.05 -0.61 0.98 -1.14 -0.65 0.00 0.00 175.02 173.65 2hg5 s GLN 82 N 1.76 3.34 -0.11 4.11 2.00 -0.26 -1.67 119.66 128.83 2hg5 s GLN 82 Ca -0.02 -0.22 -0.17 0.00 -2.00 0.00 0.00 55.36 52.95 2hg5 s GLN 82 Cb -0.17 -4.06 -0.04 0.00 0.80 0.00 0.00 33.01 29.54 2hg5 s GLN 82 CO -0.07 -1.53 0.45 -0.51 -0.50 0.00 0.00 175.29 173.12 2hg5 s LEU 83 N 4.10 4.30 0.19 3.68 1.43 -0.46 -2.01 118.68 129.90 2hg5 s LEU 83 Ca 0.32 0.80 0.08 0.00 -1.03 0.00 0.00 54.13 54.29 2hg5 s LEU 83 Cb -0.12 -2.65 -0.04 0.00 0.03 0.00 0.00 46.19 43.41 2hg5 s LEU 83 CO 0.20 0.05 -0.15 -0.94 0.23 0.00 0.00 176.35 175.74 2hg5 s SER 84 N 0.41 2.50 -1.23 2.29 1.04 -0.68 -2.03 113.70 116.01 2hg5 s SER 84 Ca 0.25 -0.97 -0.30 0.00 0.48 0.00 0.00 55.95 55.40 2hg5 s SER 84 Cb -0.15 -0.13 0.03 0.00 0.10 0.00 0.00 66.02 65.88 2hg5 s SER 84 CO 0.10 -0.15 0.66 -1.20 0.98 0.00 0.00 173.24 173.63 2hg5 n SER 85 N -0.18 -3.98 -4.49 7.02 7.64 -0.38 -4.87 113.62 114.39 2hg5 n SER 85 Ca -0.10 -1.25 -0.29 0.00 1.01 0.00 0.00 58.87 58.25 2hg5 n SER 85 Cb 0.59 -1.99 0.18 0.00 -1.01 0.00 0.00 64.21 61.99 2hg5 n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2hg5 s LEU 86 N -7.29 1.57 0.31 -3.43 1.43 -1.00 -4.61 118.68 105.67 2hg5 s LEU 86 Ca 0.46 0.92 -0.19 0.00 -1.03 0.00 0.00 54.13 54.29 2hg5 s LEU 86 Cb -0.24 -3.03 0.03 0.00 0.03 0.00 0.00 46.19 42.99 2hg5 s LEU 86 CO 0.95 -3.17 0.73 0.42 0.23 0.00 0.00 176.35 175.52 2hg5 s THR 87 N -3.14 0.00 0.54 5.49 -4.23 -1.26 -0.55 115.64 112.50 2hg5 s THR 87 Ca 0.67 -1.02 0.29 0.00 -1.18 0.00 0.00 61.69 60.44 2hg5 s THR 87 Cb -0.14 -2.31 0.44 0.00 1.34 0.00 0.00 72.50 71.83 2hg5 s THR 87 CO 0.56 0.00 1.93 0.77 -0.54 0.00 0.00 174.62 177.33 2hg5 h SER 88 N 2.01 0.00 -0.47 3.99 4.64 -2.00 0.72 113.55 122.45 2hg5 h SER 88 Ca -0.24 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.05 2hg5 h SER 88 Cb 1.25 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.31 2hg5 h SER 88 CO 0.29 0.00 0.19 -0.33 -0.87 0.00 0.00 176.83 176.11 2hg5 h GLU 89 N 0.00 0.76 -0.26 4.77 5.08 -1.95 -2.44 114.58 120.54 2hg5 h GLU 89 Ca 0.33 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2hg5 h GLU 89 Cb 1.38 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2hg5 h GLU 89 CO -0.00 0.64 0.00 -0.25 -1.00 0.00 0.00 179.01 178.40 2hg5 n ASP 90 N -4.33 0.34 -4.60 1.42 8.00 0.25 -4.80 116.55 112.83 2hg5 n ASP 90 Ca 0.04 -2.01 -0.41 0.00 0.71 0.00 0.00 54.79 53.13 2hg5 n ASP 90 Cb 0.18 -0.13 -0.07 0.00 -0.02 0.00 0.00 41.12 41.07 2hg5 n ASP 90 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2hg5 s SER 91 N -0.76 6.47 0.00 -2.24 0.15 -0.92 -4.89 113.70 111.51 2hg5 s SER 91 Ca 0.01 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.11 2hg5 s SER 91 Cb 0.01 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 2hg5 s SER 91 CO 0.01 -0.42 0.00 0.00 1.20 0.00 0.00 173.24 174.03 2hg5 n ALA 92 N 5.76 0.00 -2.68 5.45 0.00 -0.98 -4.74 120.51 123.32 2hg5 n ALA 92 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.05 2hg5 n ALA 92 Cb 0.49 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.86 2hg5 n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2hg5 s VAL 93 N -2.79 5.32 -0.23 0.00 1.01 -0.46 -1.29 120.40 121.96 2hg5 s VAL 93 Ca 0.00 0.36 -0.07 0.00 0.00 0.00 0.00 61.98 62.27 2hg5 s VAL 93 Cb 0.00 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 2hg5 s VAL 93 CO 0.00 0.35 0.07 -0.31 0.00 0.00 0.00 175.10 175.21 2hg5 s TYR 94 N 0.91 3.14 0.17 5.22 2.02 -0.91 -0.67 117.35 127.23 2hg5 s TYR 94 Ca 0.12 -0.23 0.05 0.00 -0.37 0.00 0.00 57.07 56.63 2hg5 s TYR 94 Cb -0.13 -2.19 -0.04 0.00 -0.40 0.00 0.00 41.96 39.20 2hg5 s TYR 94 CO 0.04 -0.19 0.16 0.71 -1.57 0.00 0.00 175.55 174.71 2hg5 s TYR 95 N 1.23 3.19 0.08 2.71 2.02 0.12 -1.86 117.35 124.84 2hg5 s TYR 95 Ca 0.05 -0.01 0.09 0.00 -0.37 0.00 0.00 57.07 56.82 2hg5 s TYR 95 Cb -0.14 -1.52 -0.03 0.00 -0.40 0.00 0.00 41.96 39.86 2hg5 s TYR 95 CO 0.04 0.52 -0.23 0.00 -1.57 0.00 0.00 175.55 174.31 2hg5 s ALA 97 N -0.98 0.04 -0.01 0.00 0.00 -0.48 -0.79 121.76 119.55 2hg5 s ALA 97 Ca 0.09 -0.82 0.04 0.00 0.00 0.00 0.00 51.96 51.27 2hg5 s ALA 97 Cb -0.10 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 2hg5 s ALA 97 CO 0.03 -0.45 -0.11 0.50 0.00 0.00 0.00 175.76 175.74 2hg5 s ARG 98 N -3.80 2.46 -0.05 0.00 3.52 -0.80 -1.17 118.95 119.12 2hg5 s ARG 98 Ca 0.05 -0.75 0.02 0.00 -0.13 0.00 0.00 55.73 54.92 2hg5 s ARG 98 Cb 0.06 -2.42 0.02 0.00 -1.56 0.00 0.00 34.95 31.04 2hg5 s ARG 98 CO -0.10 0.60 -0.08 -2.00 -0.81 0.00 0.00 175.30 172.91 2hg5 s GLU 99 N -1.21 1.20 -0.11 5.12 2.12 0.26 -2.87 118.70 123.21 2hg5 s GLU 99 Ca 0.15 -0.26 0.00 0.00 0.36 0.00 0.00 54.97 55.22 2hg5 s GLU 99 Cb -0.11 -1.07 0.10 0.00 0.26 0.00 0.00 34.13 33.31 2hg5 s GLU 99 CO 0.05 -0.01 1.65 0.54 -0.54 0.00 0.00 175.26 176.95 2hg5 n ARG 100 N 3.83 1.28 -1.82 4.30 5.12 -1.26 -0.73 116.66 127.38 2hg5 n ARG 100 Ca -0.23 -0.60 -0.20 0.00 -1.93 0.00 0.00 57.85 54.89 2hg5 n ARG 100 Cb 0.52 -1.23 -0.06 0.00 -1.16 0.00 0.00 32.46 30.52 2hg5 n ARG 100 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hg5 n GLY 101 N 0.68 1.20 0.05 -0.13 0.00 -1.01 -4.83 105.19 101.15 2hg5 n GLY 101 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2hg5 n GLY 101 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2hg5 n ASP 102 N -1.42 1.59 0.00 1.61 5.68 -1.26 -5.04 116.55 117.71 2hg5 n ASP 102 Ca -0.21 -1.53 0.00 0.00 -0.50 0.00 0.00 54.79 52.55 2hg5 n ASP 102 Cb 0.67 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.64 2hg5 n ASP 102 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2hg5 n GLY 103 N -0.19 3.07 3.55 6.12 0.00 -1.26 -5.07 105.19 111.41 2hg5 n GLY 103 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 2hg5 n GLY 103 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2hg5 s TYR 104 N -2.87 2.53 -0.71 1.61 -0.85 -1.26 -5.07 117.35 110.73 2hg5 s TYR 104 Ca 0.00 -0.27 -0.18 0.00 -0.52 0.00 0.00 57.07 56.10 2hg5 s TYR 104 Cb 0.00 -1.16 0.13 0.00 0.38 0.00 0.00 41.96 41.31 2hg5 s TYR 104 CO 0.00 0.61 0.82 -0.06 -1.52 0.00 0.00 175.55 175.40 2hg5 s PHE 105 N -2.14 3.14 0.11 -3.49 2.99 -1.26 -4.48 117.98 112.84 2hg5 s PHE 105 Ca 0.28 -1.21 -0.26 0.00 0.00 0.00 0.00 56.93 55.74 2hg5 s PHE 105 Cb -0.07 -4.06 -0.09 0.00 0.00 0.00 0.00 43.02 38.80 2hg5 s PHE 105 CO 0.16 -1.31 1.66 0.00 -0.00 0.00 0.00 175.22 175.74 2hg5 h ALA 106 N 8.89 -0.32 -3.76 5.36 0.00 -1.95 -3.45 119.26 124.04 2hg5 h ALA 106 Ca -0.13 -0.03 -0.39 0.00 0.00 0.00 0.00 54.91 54.36 2hg5 h ALA 106 Cb 1.06 0.31 -0.26 0.00 0.00 0.00 0.00 17.79 18.91 2hg5 h ALA 106 CO 1.05 -0.72 -0.78 0.54 0.00 0.00 0.00 179.25 179.34 2hg5 s VAL 107 N -6.11 0.85 0.31 0.00 0.11 -1.26 -5.04 120.40 109.27 2hg5 s VAL 107 Ca -0.15 -0.77 0.10 0.00 -2.93 0.00 0.00 61.98 58.22 2hg5 s VAL 107 Cb 0.08 -0.77 -0.05 0.00 -1.53 0.00 0.00 36.38 34.10 2hg5 s VAL 107 CO 0.66 0.01 -0.02 0.26 -3.33 0.00 0.00 175.10 172.68 2hg5 s TRP 108 N -0.69 2.55 0.47 1.54 0.52 -1.26 -1.90 118.94 120.18 2hg5 s TRP 108 Ca 0.00 -0.36 -0.02 0.00 0.02 0.00 0.00 56.10 55.74 2hg5 s TRP 108 Cb -0.06 -1.33 -0.01 0.00 -1.15 0.00 0.00 33.47 30.91 2hg5 s TRP 108 CO 0.00 0.55 0.73 0.20 0.02 0.00 0.00 176.95 178.45 2hg5 s GLY 109 N -3.68 1.53 0.58 0.98 0.00 0.03 -4.62 107.32 102.15 2hg5 s GLY 109 Ca 0.33 -0.85 0.36 0.00 0.00 0.00 0.00 44.72 44.57 2hg5 s GLY 109 CO 0.19 -0.67 2.13 0.00 0.00 0.00 0.00 173.10 174.76 2hg5 h ALA 110 N 0.28 1.06 0.00 3.20 0.00 -1.90 -3.44 119.26 118.46 2hg5 h ALA 110 Ca -0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2hg5 h ALA 110 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2hg5 h ALA 110 CO 0.59 0.04 0.00 0.41 0.00 0.00 0.00 179.25 180.29 2hg5 n GLY 111 N -0.49 0.22 3.32 0.00 0.00 -1.26 -5.01 105.19 101.97 2hg5 n GLY 111 Ca -0.01 -1.44 -0.36 0.00 0.00 0.00 0.00 46.02 44.21 2hg5 n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hg5 s THR 112 N -1.54 3.72 -0.17 2.61 2.01 -0.78 -4.65 115.64 116.85 2hg5 s THR 112 Ca 0.00 -0.66 -0.29 0.00 0.31 0.00 0.00 61.69 61.04 2hg5 s THR 112 Cb 0.00 -2.86 -0.01 0.00 0.01 0.00 0.00 72.50 69.64 2hg5 s THR 112 CO 0.00 0.18 1.22 -0.89 -0.69 0.00 0.00 174.62 174.44 2hg5 s THR 113 N 1.48 4.35 -0.13 -0.82 2.01 -0.14 -2.15 115.64 120.25 2hg5 s THR 113 Ca 0.03 1.64 -0.01 0.00 0.31 0.00 0.00 61.69 63.65 2hg5 s THR 113 Cb -0.16 -4.06 -0.02 0.00 0.01 0.00 0.00 72.50 68.27 2hg5 s THR 113 CO 0.00 -0.13 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.04 2hg5 s VAL 114 N 3.32 3.57 -0.06 3.82 1.01 -0.41 0.12 120.40 131.77 2hg5 s VAL 114 Ca 0.53 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 62.06 2hg5 s VAL 114 Cb -0.21 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.65 2hg5 s VAL 114 CO 0.14 0.53 -0.16 -0.89 0.00 0.00 0.00 175.10 174.72 2hg5 s THR 115 N 0.09 1.37 -0.44 3.92 2.01 -0.05 -2.31 115.64 120.23 2hg5 s THR 115 Ca -0.03 -0.66 -0.05 0.00 0.31 0.00 0.00 61.69 61.27 2hg5 s THR 115 Cb -0.14 -1.20 0.12 0.00 0.01 0.00 0.00 72.50 71.28 2hg5 s THR 115 CO 0.03 0.40 0.26 -0.69 -0.69 0.00 0.00 174.62 173.94 2hg5 s VAL 116 N 0.28 3.64 0.10 3.82 1.01 -1.25 -0.04 120.40 127.96 2hg5 s VAL 116 Ca -0.09 -1.99 -0.11 0.00 0.00 0.00 0.00 61.98 59.78 2hg5 s VAL 116 Cb -0.14 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 32.80 2hg5 s VAL 116 CO 0.03 -0.73 0.26 -0.55 0.00 0.00 0.00 175.10 174.12 2hg5 s SER 117 N 2.10 -0.00 0.00 3.32 0.15 0.27 -4.52 113.70 115.01 2hg5 s SER 117 Ca 0.08 -0.52 0.26 0.00 0.70 0.00 0.00 55.95 56.47 2hg5 s SER 117 Cb -0.24 0.38 0.76 0.00 -1.71 0.00 0.00 66.02 65.21 2hg5 s SER 117 CO -0.03 -0.76 1.57 -1.20 1.20 0.00 0.00 173.24 174.02 2hg5 n SER 118 N -0.06 1.15 -3.02 5.45 7.64 -1.26 -3.88 113.62 119.64 2hg5 n SER 118 Ca -0.16 -1.01 -0.02 0.00 1.01 0.00 0.00 58.87 58.70 2hg5 n SER 118 Cb 0.63 0.13 0.02 0.00 -1.01 0.00 0.00 64.21 63.97 2hg5 n SER 118 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2hg5 n ALA 119 N -0.50 -0.28 -2.66 -0.43 0.00 -1.26 -5.06 120.51 110.33 2hg5 n ALA 119 Ca 0.13 -0.08 -0.20 0.00 0.00 0.00 0.00 53.44 53.29 2hg5 n ALA 119 Cb 0.36 -0.01 -0.15 0.00 0.00 0.00 0.00 19.45 19.65 2hg5 n ALA 119 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2hg5 s LYS 120 N -2.83 0.89 0.66 0.00 -2.85 -1.26 -5.08 119.74 109.27 2hg5 s LYS 120 Ca 0.04 -0.39 -0.17 0.00 -1.00 0.00 0.00 55.97 54.45 2hg5 s LYS 120 Cb -0.01 -0.86 -0.03 0.00 -2.06 0.00 0.00 37.83 34.88 2hg5 s LYS 120 CO 0.03 0.23 0.93 2.41 0.10 0.00 0.00 175.35 179.05 2hg5 n THR 121 N 2.84 3.34 -3.57 3.79 -1.04 -1.26 -4.75 114.28 113.62 2hg5 n THR 121 Ca -0.14 -0.45 -0.00 0.00 -2.04 0.00 0.00 64.05 61.42 2hg5 n THR 121 Cb 0.56 -1.10 -0.04 0.00 -1.82 0.00 0.00 70.33 67.93 2hg5 n THR 121 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2hg5 s THR 122 N -1.65 -0.95 0.62 12.58 2.01 0.88 -4.89 115.64 124.24 2hg5 s THR 122 Ca 0.75 0.00 -0.18 0.00 0.31 0.00 0.00 61.69 62.57 2hg5 s THR 122 Cb -0.38 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.11 2hg5 s THR 122 CO 0.48 0.00 1.17 -2.16 -0.69 0.00 0.00 174.62 173.42 2hg5 s PRO 123 N 2.85 2.89 0.35 4.92 0.04 -1.26 -0.99 135.00 143.80 2hg5 s PRO 123 Ca -0.03 1.67 -0.24 0.00 0.04 0.00 0.00 61.00 62.45 2hg5 s PRO 123 Cb -0.12 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.39 2hg5 s PRO 123 CO -0.19 -1.23 0.93 -1.25 0.04 0.00 0.00 177.00 175.29 2hg5 s PRO 124 N -3.57 4.44 -0.28 0.56 0.04 -1.26 -4.34 135.00 130.59 2hg5 s PRO 124 Ca 0.74 1.22 -0.15 0.00 0.04 0.00 0.00 61.00 62.84 2hg5 s PRO 124 Cb -0.27 -2.61 -0.03 0.00 0.04 0.00 0.00 34.50 31.63 2hg5 s PRO 124 CO 0.35 0.19 0.39 -1.12 0.04 0.00 0.00 177.00 176.86 2hg5 s SER 125 N -1.81 6.27 -0.18 6.66 0.01 0.06 -4.86 113.70 119.86 2hg5 s SER 125 Ca 0.53 0.25 -0.08 0.00 1.31 0.00 0.00 55.95 57.97 2hg5 s SER 125 Cb -0.15 -2.22 -0.04 0.00 0.21 0.00 0.00 66.02 63.81 2hg5 s SER 125 CO 0.20 -0.22 0.08 -0.69 0.41 0.00 0.00 173.24 173.02 2hg5 s VAL 126 N 2.11 4.96 0.04 3.43 1.01 -1.25 -2.05 120.40 128.66 2hg5 s VAL 126 Ca 0.16 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.18 2hg5 s VAL 126 Cb -0.16 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 2hg5 s VAL 126 CO 0.10 0.47 -0.08 -0.31 0.00 0.00 0.00 175.10 175.28 2hg5 s TYR 127 N 0.28 0.67 0.89 5.22 2.02 -1.04 -4.95 117.35 120.44 2hg5 s TYR 127 Ca 0.05 -0.51 -0.12 0.00 -0.37 0.00 0.00 57.07 56.12 2hg5 s TYR 127 Cb -0.12 -0.40 0.13 0.00 -0.40 0.00 0.00 41.96 41.17 2hg5 s TYR 127 CO -0.00 -0.09 1.14 -2.14 -1.57 0.00 0.00 175.55 172.89 2hg5 s PRO 128 N -1.61 1.27 -0.45 -1.71 0.02 -1.26 -1.48 135.00 129.78 2hg5 s PRO 128 Ca -0.10 0.30 0.05 0.00 0.02 0.00 0.00 61.00 61.28 2hg5 s PRO 128 Cb -0.10 -1.85 0.19 0.00 0.02 0.00 0.00 34.50 32.76 2hg5 s PRO 128 CO 0.00 -2.11 0.50 1.28 -0.33 0.00 0.00 177.00 176.34 2hg5 n LEU 129 N -3.71 -1.45 -4.90 -5.54 4.77 -0.46 -4.71 117.00 101.00 2hg5 n LEU 129 Ca 0.07 -3.91 -0.31 0.00 -0.03 0.00 0.00 56.01 51.82 2hg5 n LEU 129 Cb 0.59 0.63 -0.04 0.00 -2.33 0.00 0.00 43.42 42.27 2hg5 n LEU 129 CO 0.57 1.91 -0.02 0.00 -1.33 0.00 0.00 177.39 178.52 2hg5 s ALA 130 N 0.22 3.85 1.10 -1.18 0.00 -1.26 -2.98 121.76 121.51 2hg5 s ALA 130 Ca 0.32 -0.64 -0.20 0.00 0.00 0.00 0.00 51.96 51.45 2hg5 s ALA 130 Cb 0.05 -2.05 0.06 0.00 0.00 0.00 0.00 23.12 21.18 2hg5 s ALA 130 CO -0.15 0.71 -0.18 -2.30 0.00 0.00 0.00 175.76 173.84 2hg5 n PRO 131 N 0.15 -1.33 -3.48 0.00 -0.02 -1.26 -4.94 135.00 124.11 2hg5 n PRO 131 Ca -0.03 -0.37 -0.36 0.00 -2.02 0.00 0.00 63.50 60.71 2hg5 n PRO 131 Cb 0.52 -1.61 -0.06 0.00 -0.02 0.00 0.00 33.50 32.33 2hg5 n PRO 131 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2hg5 s GLY 132 N -1.73 2.45 0.50 -1.23 0.00 -1.26 -4.73 107.32 101.32 2hg5 s GLY 132 Ca 0.53 -0.23 0.40 0.00 0.00 0.00 0.00 44.72 45.41 2hg5 s GLY 132 CO 0.66 0.07 1.63 0.23 0.00 0.00 0.00 173.10 175.70 2hg5 h SER 133 N 4.17 0.11 -0.24 1.64 0.87 -1.96 0.69 113.55 118.83 2hg5 h SER 133 Ca -0.50 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2hg5 h SER 133 Cb 1.21 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 2hg5 h SER 133 CO 0.64 -0.08 0.00 0.00 -0.53 0.00 0.00 176.83 176.86 2hg5 n ALA 134 N -2.73 2.48 -2.63 6.23 0.00 -1.26 -4.84 120.51 117.75 2hg5 n ALA 134 Ca 0.39 -0.72 -0.42 0.00 0.00 0.00 0.00 53.44 52.69 2hg5 n ALA 134 Cb 1.65 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 20.08 2hg5 n ALA 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hg5 s ALA 135 N -1.70 2.86 0.87 0.00 0.00 0.24 -5.01 121.76 119.02 2hg5 s ALA 135 Ca 0.35 -1.47 -0.11 0.00 0.00 0.00 0.00 51.96 50.72 2hg5 s ALA 135 Cb 0.20 -4.14 0.12 0.00 0.00 0.00 0.00 23.12 19.30 2hg5 s ALA 135 CO 0.29 -3.12 1.18 1.14 0.00 0.00 0.00 175.76 175.25 2hg5 s GLN 136 N 5.24 1.26 0.06 0.00 0.00 -1.26 -4.84 119.66 120.12 2hg5 s GLN 136 Ca 0.32 1.66 0.06 0.00 -0.00 0.00 0.00 55.36 57.39 2hg5 s GLN 136 Cb -0.10 -1.74 -0.03 0.00 0.00 0.00 0.00 33.01 31.13 2hg5 s GLN 136 CO 0.14 -2.47 -0.15 -0.08 0.00 0.00 0.00 175.29 172.72 2hg5 s THR 137 N -2.42 1.22 0.00 3.63 -1.32 -1.26 -5.11 115.64 110.38 2hg5 s THR 137 Ca 0.70 -1.21 0.00 0.00 -1.21 0.00 0.00 61.69 59.96 2hg5 s THR 137 Cb -0.26 -1.13 0.00 0.00 -1.51 0.00 0.00 72.50 69.60 2hg5 s THR 137 CO 0.55 -0.09 0.00 0.59 -2.21 0.00 0.00 174.62 173.45 2hg5 n ASN 138 N 1.52 0.00 -0.01 8.08 5.03 -1.26 -4.95 115.26 123.67 2hg5 n ASN 138 Ca -0.20 0.00 0.14 0.00 0.87 0.00 0.00 54.58 55.40 2hg5 n ASN 138 Cb 0.54 0.00 0.62 0.00 -1.02 0.00 0.00 39.78 39.93 2hg5 n ASN 138 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 2hg5 n SER 139 N 0.00 0.10 -4.23 6.41 3.41 -1.26 -4.70 113.62 113.35 2hg5 n SER 139 Ca 0.00 0.13 -0.17 0.00 -0.26 0.00 0.00 58.87 58.57 2hg5 n SER 139 Cb 0.00 -0.32 -0.11 0.00 -0.26 0.00 0.00 64.21 63.52 2hg5 n SER 139 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2hg5 s MET 140 N -2.82 0.99 0.08 4.33 -1.94 -1.26 -1.02 119.30 117.65 2hg5 s MET 140 Ca 0.20 -1.23 0.05 0.00 -1.71 0.00 0.00 55.69 53.00 2hg5 s MET 140 Cb 0.19 -0.82 -0.03 0.00 2.01 0.00 0.00 34.83 36.18 2hg5 s MET 140 CO 0.52 0.15 -0.13 0.54 -0.01 0.00 0.00 175.02 176.09 2hg5 s VAL 141 N -2.23 1.06 -0.07 -6.03 0.11 -0.81 -4.57 120.40 107.86 2hg5 s VAL 141 Ca 0.08 -1.35 0.05 0.00 -2.93 0.00 0.00 61.98 57.84 2hg5 s VAL 141 Cb -0.04 -1.09 -0.01 0.00 -1.53 0.00 0.00 36.38 33.70 2hg5 s VAL 141 CO 0.02 -0.29 -0.24 -0.89 -3.33 0.00 0.00 175.10 170.38 2hg5 s THR 142 N -1.46 2.18 0.13 5.04 2.01 -1.26 -2.63 115.64 119.65 2hg5 s THR 142 Ca -0.01 -1.02 0.01 0.00 0.31 0.00 0.00 61.69 60.98 2hg5 s THR 142 Cb -0.09 -1.81 -0.00 0.00 0.01 0.00 0.00 72.50 70.61 2hg5 s THR 142 CO 0.02 0.57 0.04 0.18 -0.69 0.00 0.00 174.62 174.74 2hg5 n LEU 143 N 3.02 0.00 0.00 4.42 4.77 -0.38 -4.48 117.00 124.35 2hg5 n LEU 143 Ca -0.18 -0.99 0.00 0.00 -0.03 0.00 0.00 56.01 54.81 2hg5 n LEU 143 Cb 0.52 0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 2hg5 n LEU 143 CO 0.26 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 2hg5 n GLY 144 N 1.63 0.87 3.07 -0.72 0.00 -1.16 -1.63 105.19 107.25 2hg5 n GLY 144 Ca -0.03 -1.01 -0.14 0.00 0.00 0.00 0.00 46.02 44.84 2hg5 n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hg5 s LEU 146 N -1.45 4.25 -0.26 0.00 2.96 -0.55 -2.18 118.68 121.45 2hg5 s LEU 146 Ca -0.07 -0.62 -0.07 0.00 -0.22 0.00 0.00 54.13 53.15 2hg5 s LEU 146 Cb -0.09 -2.01 -0.02 0.00 0.50 0.00 0.00 46.19 44.57 2hg5 s LEU 146 CO 0.01 -0.24 0.07 -0.69 -1.32 0.00 0.00 176.35 174.19 2hg5 s VAL 147 N 1.60 4.23 0.10 1.68 1.01 -0.19 -2.50 120.40 126.34 2hg5 s VAL 147 Ca 0.04 -0.30 -0.09 0.00 0.00 0.00 0.00 61.98 61.64 2hg5 s VAL 147 Cb -0.17 -3.03 -0.00 0.00 0.00 0.00 0.00 36.38 33.17 2hg5 s VAL 147 CO 0.06 0.28 0.20 -1.59 0.00 0.00 0.00 175.10 174.05 2hg5 s LYS 148 N 1.59 0.89 -0.44 2.72 -2.85 -0.87 -0.26 119.74 120.51 2hg5 s LYS 148 Ca 0.06 -1.00 0.00 0.00 -1.00 0.00 0.00 55.97 54.03 2hg5 s LYS 148 Cb -0.16 0.34 0.00 0.00 -2.06 0.00 0.00 37.83 35.96 2hg5 s LYS 148 CO 0.03 -0.29 0.00 0.41 0.10 0.00 0.00 175.35 175.61 2hg5 n GLY 149 N -0.08 0.45 3.82 0.59 0.00 -0.75 -0.76 105.19 108.46 2hg5 n GLY 149 Ca -0.14 -0.77 -0.22 0.00 0.00 0.00 0.00 46.02 44.89 2hg5 n GLY 149 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2hg5 s TYR 150 N -2.20 3.02 -0.28 1.61 -0.85 -1.13 -4.62 117.35 112.89 2hg5 s TYR 150 Ca 0.00 -0.18 -0.22 0.00 -0.52 0.00 0.00 57.07 56.14 2hg5 s TYR 150 Cb 0.00 -1.52 0.13 0.00 0.38 0.00 0.00 41.96 40.95 2hg5 s TYR 150 CO 0.00 0.42 1.01 0.12 -1.52 0.00 0.00 175.55 175.58 2hg5 s PHE 151 N -2.20 -0.51 0.00 -3.49 5.36 -0.16 -1.05 117.98 115.92 2hg5 s PHE 151 Ca 0.35 1.17 0.00 0.00 -0.96 0.00 0.00 56.93 57.50 2hg5 s PHE 151 Cb -0.07 0.37 0.00 0.00 -0.34 0.00 0.00 43.02 42.98 2hg5 s PHE 151 CO 0.25 -0.25 0.00 -0.35 -1.46 0.00 0.00 175.22 173.41 2hg5 n PRO 152 N 2.65 1.13 -1.73 10.12 -0.04 -1.26 -0.08 135.00 145.78 2hg5 n PRO 152 Ca -0.14 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.01 2hg5 n PRO 152 Cb 0.56 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.06 2hg5 n PRO 152 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2hg5 s GLU 153 N -1.20 3.15 0.09 0.54 0.41 -1.26 -4.83 118.70 115.59 2hg5 s GLU 153 Ca 0.00 0.79 0.01 0.00 -0.41 0.00 0.00 54.97 55.36 2hg5 s GLU 153 Cb 0.00 -2.03 0.01 0.00 -1.78 0.00 0.00 34.13 30.33 2hg5 s GLU 153 CO 0.00 -0.90 0.05 -0.35 -0.49 0.00 0.00 175.26 173.57 2hg5 n PRO 154 N -2.98 1.46 -4.11 0.39 -0.04 -1.26 -4.82 135.00 123.64 2hg5 n PRO 154 Ca 0.07 -0.60 -0.15 0.00 -0.04 0.00 0.00 63.50 62.78 2hg5 n PRO 154 Cb 0.54 0.09 -0.14 0.00 -0.04 0.00 0.00 33.50 33.95 2hg5 n PRO 154 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2hg5 s VAL 155 N -0.66 0.37 -0.34 0.52 -7.23 -1.26 -4.37 120.40 107.42 2hg5 s VAL 155 Ca 0.04 -0.27 -0.05 0.00 -1.81 0.00 0.00 61.98 59.89 2hg5 s VAL 155 Cb -0.00 -0.33 0.05 0.00 0.56 0.00 0.00 36.38 36.66 2hg5 s VAL 155 CO 0.03 0.05 0.09 -0.89 -0.31 0.00 0.00 175.10 174.07 2hg5 s THR 156 N -0.22 3.49 -0.22 5.32 2.01 -0.39 -4.95 115.64 120.67 2hg5 s THR 156 Ca 0.01 -1.33 -0.10 0.00 0.31 0.00 0.00 61.69 60.57 2hg5 s THR 156 Cb -0.02 -3.04 -0.05 0.00 0.01 0.00 0.00 72.50 69.40 2hg5 s THR 156 CO -0.00 -0.23 0.14 -0.69 -0.69 0.00 0.00 174.62 173.15 2hg5 s VAL 157 N 1.32 5.33 0.15 3.82 1.01 -1.26 -1.85 120.40 128.93 2hg5 s VAL 157 Ca -0.02 0.17 0.07 0.00 0.00 0.00 0.00 61.98 62.20 2hg5 s VAL 157 Cb -0.20 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 2hg5 s VAL 157 CO 0.01 0.39 -0.15 0.42 0.00 0.00 0.00 175.10 175.77 2hg5 s THR 158 N 0.73 1.51 -0.28 3.92 -4.23 0.59 -4.99 115.64 112.89 2hg5 s THR 158 Ca 0.07 -1.91 -0.00 0.00 -1.18 0.00 0.00 61.69 58.68 2hg5 s THR 158 Cb -0.12 -1.75 0.05 0.00 1.34 0.00 0.00 72.50 72.02 2hg5 s THR 158 CO 0.01 -0.47 -0.05 0.26 -0.54 0.00 0.00 174.62 173.84 2hg5 s TRP 159 N -2.43 3.24 -0.96 3.99 0.52 -1.26 -0.36 118.94 121.69 2hg5 s TRP 159 Ca 0.14 -2.00 -0.01 0.00 0.02 0.00 0.00 56.10 54.25 2hg5 s TRP 159 Cb -0.03 -2.04 0.00 0.00 -1.15 0.00 0.00 33.47 30.25 2hg5 s TRP 159 CO 0.04 -0.82 0.80 0.09 0.02 0.00 0.00 176.95 177.08 2hg5 n ASN 160 N 4.56 -2.61 -3.39 2.95 3.02 -1.03 -2.66 115.26 116.11 2hg5 n ASN 160 Ca -0.14 -0.47 -0.25 0.00 -0.03 0.00 0.00 54.58 53.69 2hg5 n ASN 160 Cb 0.43 -4.10 0.03 0.00 -0.61 0.00 0.00 39.78 35.53 2hg5 n ASN 160 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2hg5 n SER 161 N -2.55 -5.18 0.00 6.41 7.64 -1.26 -1.82 113.62 116.86 2hg5 n SER 161 Ca -0.19 -0.45 0.00 0.00 1.01 0.00 0.00 58.87 59.24 2hg5 n SER 161 Cb 0.62 -4.18 0.00 0.00 -1.01 0.00 0.00 64.21 59.64 2hg5 n SER 161 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hg5 n GLY 162 N -1.52 2.20 0.00 0.23 0.00 -1.17 -4.89 105.19 100.04 2hg5 n GLY 162 Ca -0.04 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.06 2hg5 n GLY 162 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2hg5 n SER 163 N 0.00 0.00 -0.24 1.61 3.41 -0.75 -2.75 113.62 114.90 2hg5 n SER 163 Ca 0.00 -0.73 0.06 0.00 -0.26 0.00 0.00 58.87 57.93 2hg5 n SER 163 Cb 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.03 2hg5 n SER 163 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2hg5 n LEU 164 N -0.90 1.39 -0.44 1.04 7.94 -1.09 -4.89 117.00 120.06 2hg5 n LEU 164 Ca 0.12 -2.21 0.38 0.00 -1.11 0.00 0.00 56.01 53.19 2hg5 n LEU 164 Cb 0.05 -0.25 0.65 0.00 0.53 0.00 0.00 43.42 44.41 2hg5 n LEU 164 CO 0.09 0.52 1.17 -1.54 -1.11 0.00 0.00 177.39 176.52 2hg5 n SER 165 N -0.84 0.23 -4.76 1.96 3.41 -1.11 -4.47 113.62 108.04 2hg5 n SER 165 Ca 0.09 1.41 -0.41 0.00 -0.26 0.00 0.00 58.87 59.71 2hg5 n SER 165 Cb 0.65 -0.69 -0.03 0.00 -0.26 0.00 0.00 64.21 63.88 2hg5 n SER 165 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2hg5 s SER 166 N -4.32 6.90 -0.61 4.04 0.15 -1.26 -2.94 113.70 115.66 2hg5 s SER 166 Ca -0.08 2.57 0.00 0.00 0.70 0.00 0.00 55.95 59.15 2hg5 s SER 166 Cb 0.31 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 2hg5 s SER 166 CO 0.80 -0.44 0.00 0.61 1.20 0.00 0.00 173.24 175.41 2hg5 n GLY 167 N 0.99 0.69 3.64 9.45 0.00 -1.26 -4.72 105.19 113.98 2hg5 n GLY 167 Ca 0.00 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.95 2hg5 n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hg5 s VAL 168 N -2.24 3.90 -0.03 1.61 1.01 -1.15 -1.27 120.40 122.23 2hg5 s VAL 168 Ca 0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 2hg5 s VAL 168 Cb 0.00 -2.73 0.03 0.00 0.00 0.00 0.00 36.38 33.68 2hg5 s VAL 168 CO 0.00 0.35 0.05 -1.00 0.00 0.00 0.00 175.10 174.51 2hg5 s HIS 169 N -1.07 -0.00 -0.33 5.22 3.76 -0.22 -4.96 115.29 117.68 2hg5 s HIS 169 Ca 0.19 0.20 0.02 0.00 -0.15 0.00 0.00 55.06 55.32 2hg5 s HIS 169 Cb -0.11 -0.23 0.10 0.00 1.11 0.00 0.00 32.58 33.45 2hg5 s HIS 169 CO 0.10 -0.11 0.08 0.99 -0.85 0.00 0.00 174.74 174.95 2hg5 s THR 170 N 1.17 1.55 0.63 1.30 2.01 -1.26 0.53 115.64 121.57 2hg5 s THR 170 Ca -0.08 -1.90 -0.18 0.00 0.31 0.00 0.00 61.69 59.84 2hg5 s THR 170 Cb -0.13 -2.16 -0.02 0.00 0.01 0.00 0.00 72.50 70.21 2hg5 s THR 170 CO -0.04 -0.65 1.28 -0.36 -0.69 0.00 0.00 174.62 174.16 2hg5 s PHE 171 N 1.22 2.17 0.46 4.92 0.08 -0.54 -4.96 117.98 121.33 2hg5 s PHE 171 Ca 0.11 1.48 -0.25 0.00 0.12 0.00 0.00 56.93 58.39 2hg5 s PHE 171 Cb -0.18 -3.65 -0.08 0.00 -0.57 0.00 0.00 43.02 38.54 2hg5 s PHE 171 CO -0.16 -2.75 1.37 -2.14 -0.10 0.00 0.00 175.22 171.44 2hg5 s PRO 172 N -3.33 3.63 0.82 0.24 0.02 -1.26 -4.38 135.00 130.74 2hg5 s PRO 172 Ca 0.81 2.29 -0.11 0.00 0.02 0.00 0.00 61.00 64.01 2hg5 s PRO 172 Cb -0.36 -2.58 0.09 0.00 0.02 0.00 0.00 34.50 31.67 2hg5 s PRO 172 CO 0.39 -0.81 1.09 0.00 -0.33 0.00 0.00 177.00 177.33 2hg5 s ALA 173 N -1.25 1.98 -0.10 -1.55 0.00 -1.26 -4.80 121.76 114.77 2hg5 s ALA 173 Ca 0.62 0.08 0.01 0.00 0.00 0.00 0.00 51.96 52.68 2hg5 s ALA 173 Cb -0.41 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 19.51 2hg5 s ALA 173 CO 0.52 -1.98 -0.12 0.14 0.00 0.00 0.00 175.76 174.31 2hg5 s VAL 174 N -2.94 1.29 0.17 0.00 -7.23 -0.72 -4.91 120.40 106.05 2hg5 s VAL 174 Ca 0.62 -0.51 -0.22 0.00 -1.81 0.00 0.00 61.98 60.06 2hg5 s VAL 174 Cb -0.17 -1.21 -0.08 0.00 0.56 0.00 0.00 36.38 35.48 2hg5 s VAL 174 CO 0.56 0.40 0.72 -0.22 -0.31 0.00 0.00 175.10 176.26 2hg5 s LEU 175 N 1.12 4.49 -0.29 1.32 2.96 -1.26 -2.71 118.68 124.31 2hg5 s LEU 175 Ca -0.05 1.50 -0.15 0.00 -0.22 0.00 0.00 54.13 55.21 2hg5 s LEU 175 Cb -0.14 -3.33 0.13 0.00 0.50 0.00 0.00 46.19 43.35 2hg5 s LEU 175 CO -0.03 0.16 0.86 -1.58 -1.32 0.00 0.00 176.35 174.44 2hg5 s GLN 176 N -1.44 0.47 -1.64 1.98 0.74 -1.17 -4.96 119.66 113.64 2hg5 s GLN 176 Ca 0.37 0.94 -0.16 0.00 0.05 0.00 0.00 55.36 56.57 2hg5 s GLN 176 Cb -0.20 0.31 0.13 0.00 1.10 0.00 0.00 33.01 34.35 2hg5 s GLN 176 CO 0.23 -0.12 0.81 0.43 -0.55 0.00 0.00 175.29 176.09 2hg5 n SER 177 N 4.44 -3.45 -2.61 6.67 7.64 -1.26 -1.51 113.62 123.53 2hg5 n SER 177 Ca -0.16 -0.95 -0.18 0.00 1.01 0.00 0.00 58.87 58.59 2hg5 n SER 177 Cb 0.55 -3.07 0.04 0.00 -1.01 0.00 0.00 64.21 60.73 2hg5 n SER 177 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2hg5 n ASP 178 N -2.73 -5.22 -3.43 6.43 10.43 -1.26 -5.02 116.55 115.76 2hg5 n ASP 178 Ca 0.04 -0.31 -0.05 0.00 2.57 0.00 0.00 54.79 57.03 2hg5 n ASP 178 Cb 0.52 -3.95 -0.06 0.00 1.84 0.00 0.00 41.12 39.47 2hg5 n ASP 178 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2hg5 s LEU 179 N -5.52 -0.88 0.67 0.64 1.43 -0.57 -4.80 118.68 109.65 2hg5 s LEU 179 Ca 0.34 0.77 -0.11 0.00 -1.03 0.00 0.00 54.13 54.10 2hg5 s LEU 179 Cb -0.15 1.58 -0.01 0.00 0.03 0.00 0.00 46.19 47.64 2hg5 s LEU 179 CO 0.42 -0.26 1.05 -0.31 0.23 0.00 0.00 176.35 177.48 2hg5 s TYR 180 N 2.68 3.39 -0.20 0.29 1.51 -0.21 -3.04 117.35 121.78 2hg5 s TYR 180 Ca 0.08 1.27 -0.14 0.00 -1.01 0.00 0.00 57.07 57.27 2hg5 s TYR 180 Cb -0.14 -2.85 0.06 0.00 -0.11 0.00 0.00 41.96 38.92 2hg5 s TYR 180 CO -0.17 -0.99 0.50 0.99 -1.11 0.00 0.00 175.55 174.77 2hg5 s THR 181 N -3.18 -0.01 0.14 -0.71 2.01 -1.10 -1.82 115.64 110.98 2hg5 s THR 181 Ca 0.57 0.04 -0.09 0.00 0.31 0.00 0.00 61.69 62.51 2hg5 s THR 181 Cb -0.12 -0.72 -0.00 0.00 0.01 0.00 0.00 72.50 71.67 2hg5 s THR 181 CO 0.54 0.02 0.27 -1.48 -0.69 0.00 0.00 174.62 173.28 2hg5 s LEU 182 N 1.01 1.02 0.06 4.42 0.05 0.64 -1.75 118.68 124.13 2hg5 s LEU 182 Ca -0.06 -0.78 0.05 0.00 0.05 0.00 0.00 54.13 53.39 2hg5 s LEU 182 Cb -0.06 1.21 -0.03 0.00 -2.05 0.00 0.00 46.19 45.27 2hg5 s LEU 182 CO -0.09 -0.86 -0.14 -0.44 -0.55 0.00 0.00 176.35 174.28 2hg5 s SER 183 N -2.93 1.64 0.10 1.48 0.01 -1.26 -1.03 113.70 111.72 2hg5 s SER 183 Ca 0.13 -0.55 0.08 0.00 1.31 0.00 0.00 55.95 56.93 2hg5 s SER 183 Cb 0.03 -0.07 -0.04 0.00 0.21 0.00 0.00 66.02 66.16 2hg5 s SER 183 CO -0.03 -0.04 -0.22 -0.55 0.41 0.00 0.00 173.24 172.81 2hg5 s SER 184 N -1.50 2.62 0.14 2.44 0.15 -0.93 -1.46 113.70 115.16 2hg5 s SER 184 Ca -0.01 -0.69 0.05 0.00 0.70 0.00 0.00 55.95 56.00 2hg5 s SER 184 Cb -0.09 -0.15 -0.04 0.00 -1.71 0.00 0.00 66.02 64.03 2hg5 s SER 184 CO 0.02 0.07 -0.11 -0.94 1.20 0.00 0.00 173.24 173.48 2hg5 s SER 185 N -1.90 1.85 -0.00 5.45 1.04 0.19 -1.99 113.70 118.34 2hg5 s SER 185 Ca 0.07 -0.93 -0.09 0.00 0.48 0.00 0.00 55.95 55.48 2hg5 s SER 185 Cb -0.10 -0.03 0.01 0.00 0.10 0.00 0.00 66.02 65.99 2hg5 s SER 185 CO 0.04 -0.26 0.18 0.54 0.98 0.00 0.00 173.24 174.72 2hg5 s VAL 186 N -2.86 0.08 -0.21 5.02 0.11 -0.64 -1.05 120.40 120.85 2hg5 s VAL 186 Ca 0.13 -0.64 -0.03 0.00 -2.93 0.00 0.00 61.98 58.51 2hg5 s VAL 186 Cb -0.00 -0.48 0.07 0.00 -1.53 0.00 0.00 36.38 34.44 2hg5 s VAL 186 CO 0.02 -0.35 0.06 -0.89 -3.33 0.00 0.00 175.10 170.60 2hg5 s THR 187 N -1.38 0.37 0.28 5.04 2.01 -0.39 -1.25 115.64 120.32 2hg5 s THR 187 Ca -0.15 -0.56 0.10 0.00 0.31 0.00 0.00 61.69 61.39 2hg5 s THR 187 Cb -0.07 -0.98 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 2hg5 s THR 187 CO 0.02 -0.31 -0.01 0.68 -0.69 0.00 0.00 174.62 174.31 2hg5 s VAL 188 N 1.92 3.21 0.07 3.82 -7.23 -1.08 -4.72 120.40 116.39 2hg5 s VAL 188 Ca 0.01 -1.95 -0.34 0.00 -1.81 0.00 0.00 61.98 57.89 2hg5 s VAL 188 Cb -0.17 -2.80 -0.13 0.00 0.56 0.00 0.00 36.38 33.84 2hg5 s VAL 188 CO -0.12 -0.34 1.66 -2.65 -0.31 0.00 0.00 175.10 173.34 2hg5 n PRO 189 N -0.90 2.07 -0.31 4.82 -0.02 -1.26 -1.93 135.00 137.47 2hg5 n PRO 189 Ca -0.06 0.75 0.17 0.00 -2.02 0.00 0.00 63.50 62.34 2hg5 n PRO 189 Cb 0.60 -2.53 0.36 0.00 -0.02 0.00 0.00 33.50 31.90 2hg5 n PRO 189 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2hg5 h SER 190 N 6.84 0.26 0.87 2.55 4.64 -1.32 0.18 113.55 127.57 2hg5 h SER 190 Ca -0.46 0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2hg5 h SER 190 Cb 1.27 0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 2hg5 h SER 190 CO 0.90 -0.11 0.00 0.77 -0.87 0.00 0.00 176.83 177.52 2hg5 h SER 191 N 0.30 0.00 -0.03 4.97 4.64 -1.88 -2.88 113.55 118.66 2hg5 h SER 191 Ca 0.62 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.94 2hg5 h SER 191 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2hg5 h SER 191 CO -0.61 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 173.81 2hg5 n SER 192 N -2.53 1.04 -4.07 4.97 3.41 0.64 -4.74 113.62 112.34 2hg5 n SER 192 Ca 0.02 -1.39 -0.20 0.00 -0.26 0.00 0.00 58.87 57.03 2hg5 n SER 192 Cb 0.26 -0.01 -0.15 0.00 -0.26 0.00 0.00 64.21 64.06 2hg5 n SER 192 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 2hg5 s TRP 193 N -1.97 1.04 -0.47 7.33 -0.00 -1.09 -1.84 118.94 121.94 2hg5 s TRP 193 Ca 0.39 -0.22 0.06 0.00 -0.00 0.00 0.00 56.10 56.34 2hg5 s TRP 193 Cb 0.20 -0.66 0.44 0.00 -0.00 0.00 0.00 33.47 33.45 2hg5 s TRP 193 CO 0.33 -0.01 1.31 -0.35 -0.00 0.00 0.00 176.95 178.23 2hg5 n PRO 194 N 2.68 2.74 -0.25 5.86 -0.04 -1.26 -4.94 135.00 139.79 2hg5 n PRO 194 Ca -0.14 -1.77 0.05 0.00 -0.04 0.00 0.00 63.50 61.60 2hg5 n PRO 194 Cb 0.56 -1.85 0.18 0.00 -0.04 0.00 0.00 33.50 32.34 2hg5 n PRO 194 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2hg5 h SER 195 N 1.72 0.15 -3.46 3.54 0.02 -1.85 -3.36 113.55 110.31 2hg5 h SER 195 Ca 0.12 0.12 -0.66 0.00 -0.84 0.00 0.00 61.79 60.54 2hg5 h SER 195 Cb 1.58 0.14 -0.26 0.00 0.14 0.00 0.00 62.40 63.99 2hg5 h SER 195 CO 0.39 0.04 -0.70 -1.61 -1.14 0.00 0.00 176.83 173.81 2hg5 s GLU 196 N -6.04 3.45 0.47 3.45 2.02 -0.77 -5.09 118.70 116.19 2hg5 s GLU 196 Ca -0.13 -0.59 -0.22 0.00 0.02 0.00 0.00 54.97 54.06 2hg5 s GLU 196 Cb 0.20 -3.09 -0.10 0.00 0.10 0.00 0.00 34.13 31.24 2hg5 s GLU 196 CO 0.76 -0.19 0.71 2.41 0.02 0.00 0.00 175.26 178.97 2hg5 n THR 197 N 4.82 2.24 -3.59 3.63 -1.04 -1.26 -4.68 114.28 114.41 2hg5 n THR 197 Ca -0.18 -0.50 -0.29 0.00 -2.04 0.00 0.00 64.05 61.04 2hg5 n THR 197 Cb 0.51 -0.80 -0.15 0.00 -1.82 0.00 0.00 70.33 68.06 2hg5 n THR 197 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2hg5 s VAL 198 N -1.47 0.14 0.29 12.58 1.01 -1.26 -5.04 120.40 126.65 2hg5 s VAL 198 Ca 0.66 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 61.87 2hg5 s VAL 198 Cb -0.54 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 2hg5 s VAL 198 CO 0.56 -0.67 0.20 -0.89 0.00 0.00 0.00 175.10 174.29 2hg5 s THR 199 N 2.00 3.91 -0.28 3.92 2.01 -1.26 -1.82 115.64 124.12 2hg5 s THR 199 Ca 0.08 -1.48 0.02 0.00 0.31 0.00 0.00 61.69 60.62 2hg5 s THR 199 Cb -0.16 -3.23 0.06 0.00 0.01 0.00 0.00 72.50 69.18 2hg5 s THR 199 CO -0.32 -0.28 -0.07 0.00 -0.69 0.00 0.00 174.62 173.26 2hg5 s ASN 201 N 1.13 6.61 -0.14 0.00 -0.87 0.52 -2.16 114.94 120.03 2hg5 s ASN 201 Ca -0.07 0.74 0.00 0.00 -1.57 0.00 0.00 52.86 51.97 2hg5 s ASN 201 Cb -0.20 -2.32 0.02 0.00 -0.02 0.00 0.00 41.25 38.73 2hg5 s ASN 201 CO -0.04 -0.24 -0.11 -0.69 -2.57 0.00 0.00 177.10 173.44 2hg5 s VAL 202 N 1.86 1.36 -0.13 1.60 1.01 -0.23 -0.30 120.40 125.58 2hg5 s VAL 202 Ca 0.26 -0.52 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 2hg5 s VAL 202 Cb -0.16 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 2hg5 s VAL 202 CO 0.10 0.41 -0.13 0.00 0.00 0.00 0.00 175.10 175.48 2hg5 s ALA 203 N 1.57 2.65 -0.66 5.51 0.00 -0.77 -0.68 121.76 129.37 2hg5 s ALA 203 Ca 0.05 -0.89 0.05 0.00 0.00 0.00 0.00 51.96 51.17 2hg5 s ALA 203 Cb -0.13 -1.22 0.16 0.00 0.00 0.00 0.00 23.12 21.93 2hg5 s ALA 203 CO -0.10 0.27 0.44 -1.58 0.00 0.00 0.00 175.76 174.79 2hg5 s HIS 204 N 0.29 3.47 0.31 0.00 2.46 -0.97 -1.27 115.29 119.58 2hg5 s HIS 204 Ca -0.09 -3.30 0.07 0.00 0.47 0.00 0.00 55.06 52.21 2hg5 s HIS 204 Cb -0.16 -2.72 0.87 0.00 -0.13 0.00 0.00 32.58 30.44 2hg5 s HIS 204 CO 0.05 -0.59 1.64 -1.35 -2.47 0.00 0.00 174.74 172.02 2hg5 h PRO 205 N 5.64 0.20 0.00 2.88 0.11 -1.87 -1.12 132.00 137.85 2hg5 h PRO 205 Ca 0.10 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.19 2hg5 h PRO 205 Cb 0.79 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.85 2hg5 h PRO 205 CO 0.71 0.13 0.00 0.00 -0.21 0.00 0.00 178.00 178.63 2hg5 n ALA 206 N -2.60 1.04 -0.60 -0.75 0.00 -1.26 -2.13 120.51 114.21 2hg5 n ALA 206 Ca 0.26 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.79 2hg5 n ALA 206 Cb 0.82 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 19.11 2hg5 n ALA 206 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2hg5 n SER 207 N -1.85 0.47 -3.53 0.00 3.41 -0.48 -4.92 113.62 106.72 2hg5 n SER 207 Ca -0.01 -1.08 -0.20 0.00 -0.26 0.00 0.00 58.87 57.33 2hg5 n SER 207 Cb 0.02 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.03 2hg5 n SER 207 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2hg5 n SER 208 N -0.04 -3.34 -3.56 4.04 7.64 -0.85 -5.00 113.62 112.51 2hg5 n SER 208 Ca 0.00 -0.78 -0.27 0.00 1.01 0.00 0.00 58.87 58.84 2hg5 n SER 208 Cb 0.20 -4.48 -0.15 0.00 -1.01 0.00 0.00 64.21 58.76 2hg5 n SER 208 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2hg5 s THR 209 N -3.50 -0.11 -0.12 0.44 -4.23 -1.20 -5.03 115.64 101.89 2hg5 s THR 209 Ca 0.19 -0.45 -0.09 0.00 -1.18 0.00 0.00 61.69 60.16 2hg5 s THR 209 Cb -0.04 -0.79 -0.04 0.00 1.34 0.00 0.00 72.50 72.97 2hg5 s THR 209 CO 0.78 -0.49 0.18 -0.75 -0.54 0.00 0.00 174.62 173.80 2hg5 s LYS 210 N 2.14 3.63 -0.08 3.99 2.20 -1.26 -2.30 119.74 128.06 2hg5 s LYS 210 Ca 0.06 -0.06 -0.06 0.00 -0.36 0.00 0.00 55.97 55.55 2hg5 s LYS 210 Cb -0.16 -3.23 0.03 0.00 -1.51 0.00 0.00 37.83 32.96 2hg5 s LYS 210 CO -0.23 0.69 0.19 0.14 -0.36 0.00 0.00 175.35 175.78 2hg5 s VAL 211 N -0.80 -0.02 0.59 4.02 -7.23 0.14 -5.00 120.40 112.10 2hg5 s VAL 211 Ca 0.15 0.06 0.10 0.00 -1.81 0.00 0.00 61.98 60.48 2hg5 s VAL 211 Cb -0.12 -0.29 0.09 0.00 0.56 0.00 0.00 36.38 36.62 2hg5 s VAL 211 CO 0.04 0.02 0.80 -1.81 -0.31 0.00 0.00 175.10 173.84 2hg5 s ASP 212 N 0.50 5.02 -0.30 4.85 1.01 -1.26 -1.07 116.67 125.43 2hg5 s ASP 212 Ca -0.03 -0.91 -0.09 0.00 0.71 0.00 0.00 52.55 52.23 2hg5 s ASP 212 Cb -0.05 0.41 0.18 0.00 1.01 0.00 0.00 42.92 44.47 2hg5 s ASP 212 CO -0.02 -1.39 0.93 -0.75 0.21 0.00 0.00 175.17 174.15 2hg5 s LYS 213 N -4.68 0.27 0.44 8.23 2.47 -0.92 -4.94 119.74 120.62 2hg5 s LYS 213 Ca 0.61 0.39 -0.25 0.00 -1.56 0.00 0.00 55.97 55.16 2hg5 s LYS 213 Cb -0.05 0.21 -0.08 0.00 -1.46 0.00 0.00 37.83 36.45 2hg5 s LYS 213 CO 0.39 -0.38 1.32 0.21 0.16 0.00 0.00 175.35 177.04 2hg5 s LYS 214 N 2.93 3.76 -0.55 4.03 2.20 -1.26 -1.86 119.74 128.99 2hg5 s LYS 214 Ca 0.11 2.16 -0.02 0.00 -0.36 0.00 0.00 55.97 57.87 2hg5 s LYS 214 Cb -0.08 -2.62 0.14 0.00 -1.51 0.00 0.00 37.83 33.76 2hg5 s LYS 214 CO -0.18 -0.66 0.35 0.42 -0.36 0.00 0.00 175.35 174.92 2hg5 s ILE 215 N -1.29 3.43 0.26 5.43 -1.09 -0.75 -4.85 121.20 122.34 2hg5 s ILE 215 Ca 0.61 -2.75 0.07 0.00 -2.23 0.00 0.00 60.65 56.35 2hg5 s ILE 215 Cb -0.38 -3.29 -0.04 0.00 -1.58 0.00 0.00 42.46 37.17 2hg5 s ILE 215 CO 0.48 -0.81 0.18 0.68 -1.23 0.00 0.00 174.94 174.24 2hg5 s VAL 216 N 0.25 4.21 0.73 2.92 -7.23 -1.26 -4.64 120.40 115.38 2hg5 s VAL 216 Ca 0.14 -1.48 -0.13 0.00 -1.81 0.00 0.00 61.98 58.70 2hg5 s VAL 216 Cb -0.21 -3.30 0.04 0.00 0.56 0.00 0.00 36.38 33.46 2hg5 s VAL 216 CO -0.03 -0.34 1.14 -2.16 -0.31 0.00 0.00 175.10 173.40 2hg5 s PRO 217 N -3.83 2.28 0.53 4.82 0.04 -1.26 -4.75 135.00 132.83 2hg5 s PRO 217 Ca 0.33 1.47 -0.20 0.00 0.04 0.00 0.00 61.00 62.64 2hg5 s PRO 217 Cb -0.07 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 32.53 2hg5 s PRO 217 CO 0.24 -1.67 1.16 1.03 0.04 0.00 0.00 177.00 177.80 2hg5 s ARG 218 N -4.27 3.41 0.00 4.56 0.52 -1.26 -5.11 118.95 116.79 2hg5 s ARG 218 Ca 0.68 1.71 0.00 0.00 -0.52 0.00 0.00 55.73 57.59 2hg5 s ARG 218 Cb -0.22 -2.12 0.00 0.00 0.52 0.00 0.00 34.95 33.13 2hg5 s ARG 218 CO 0.47 -0.82 0.00 -0.40 0.02 0.00 0.00 175.30 174.57