#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hds h PHE -6 N 0.00 -0.14 -0.45 3.69 3.57 -2.05 -2.78 116.94 118.78 3hds h PHE -6 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3hds h PHE -6 Cb 0.00 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 3hds h PHE -6 CO 0.00 0.07 0.29 0.93 -2.23 0.00 0.00 178.31 177.37 3hds h GLU -5 N -0.34 0.59 -0.50 1.11 5.08 -2.05 0.50 114.58 118.97 3hds h GLU -5 Ca -0.02 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3hds h GLU -5 Cb 0.28 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3hds h GLU -5 CO 0.03 0.40 0.28 -0.22 -1.00 0.00 0.00 179.01 178.50 3hds h LYS -4 N 0.61 0.69 -0.01 2.33 3.64 -1.95 0.05 116.57 121.93 3hds h LYS -4 Ca 0.16 -0.07 -0.21 0.00 -1.27 0.00 0.00 60.65 59.26 3hds h LYS -4 Cb -0.06 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.62 3hds h LYS -4 CO -0.03 0.53 -0.90 0.82 -2.27 0.00 0.00 179.45 177.60 3hds h ILE -3 N 0.67 1.42 -0.91 2.00 1.08 -1.07 -3.00 117.51 117.70 3hds h ILE -3 Ca 0.18 -2.45 0.00 0.00 -0.39 0.00 0.00 64.86 62.20 3hds h ILE -3 Cb 0.03 2.39 -0.04 0.00 -3.07 0.00 0.00 36.82 36.13 3hds h ILE -3 CO -0.03 0.73 0.58 -0.08 -0.69 0.00 0.00 178.15 178.66 3hds h GLU -2 N 0.20 1.22 0.00 2.37 4.81 -0.83 -1.85 114.58 120.50 3hds h GLU -2 Ca -0.06 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 3hds h GLU -2 Cb 1.52 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 3hds h GLU -2 CO 0.15 0.83 -0.06 0.78 -0.73 0.00 0.00 179.01 179.98 3hds h GLY -1 N 1.25 0.00 -1.31 1.92 0.00 -0.84 -2.22 103.07 101.87 3hds h GLY -1 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 3hds h GLY -1 CO -0.07 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.01 3hds n ARG 0 N -3.62 1.97 -0.87 4.80 1.74 -0.71 -4.86 116.66 115.11 3hds n ARG 0 Ca -0.02 -1.47 -0.28 0.00 -0.77 0.00 0.00 57.85 55.30 3hds n ARG 0 Cb 0.16 -1.42 0.22 0.00 -1.02 0.00 0.00 32.46 30.41 3hds n ARG 0 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3hds s MET 1 N -1.68 -0.49 -0.01 5.56 -1.94 -0.84 -4.93 119.30 114.97 3hds s MET 1 Ca 0.33 0.56 -0.30 0.00 -1.71 0.00 0.00 55.69 54.57 3hds s MET 1 Cb 0.19 -1.63 -0.07 0.00 2.01 0.00 0.00 34.83 35.33 3hds s MET 1 CO 0.27 -3.36 1.71 0.42 -0.01 0.00 0.00 175.02 174.05 3hds s ILE 2 N -2.73 3.35 -0.03 2.53 1.01 -0.48 -4.88 121.20 119.97 3hds s ILE 2 Ca 0.67 0.53 0.03 0.00 0.00 0.00 0.00 60.65 61.88 3hds s ILE 2 Cb -0.21 -3.34 -0.00 0.00 0.01 0.00 0.00 42.46 38.93 3hds s ILE 2 CO 0.61 -0.04 -0.13 -0.13 0.00 0.00 0.00 174.94 175.25 3hds s ARG 3 N 3.79 1.30 -0.12 2.79 0.52 -1.26 -0.73 118.95 125.24 3hds s ARG 3 Ca 0.76 -0.44 0.01 0.00 -0.52 0.00 0.00 55.73 55.54 3hds s ARG 3 Cb -0.37 -1.18 0.02 0.00 0.52 0.00 0.00 34.95 33.94 3hds s ARG 3 CO 0.32 0.18 -0.15 0.42 0.02 0.00 0.00 175.30 176.10 3hds s ILE 4 N 0.08 1.54 0.03 1.52 1.01 -0.70 -1.90 121.20 122.78 3hds s ILE 4 Ca -0.02 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 59.98 3hds s ILE 4 Cb -0.09 -1.42 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 3hds s ILE 4 CO 0.01 0.45 0.13 -0.22 0.00 0.00 0.00 174.94 175.31 3hds s LEU 5 N 1.16 4.06 -0.03 2.97 0.20 0.14 -1.30 118.68 125.88 3hds s LEU 5 Ca -0.02 0.16 0.02 0.00 0.69 0.00 0.00 54.13 54.98 3hds s LEU 5 Cb -0.14 -2.55 0.01 0.00 -0.43 0.00 0.00 46.19 43.08 3hds s LEU 5 CO -0.05 0.22 -0.06 -0.31 -0.29 0.00 0.00 176.35 175.86 3hds s TYR 6 N -1.34 0.76 -0.21 5.38 2.02 0.79 -0.36 117.35 124.38 3hds s TYR 6 Ca 0.28 -0.19 -0.17 0.00 -0.37 0.00 0.00 57.07 56.62 3hds s TYR 6 Cb -0.12 -0.59 -0.03 0.00 -0.40 0.00 0.00 41.96 40.81 3hds s TYR 6 CO 0.20 -0.12 0.47 -0.51 -1.57 0.00 0.00 175.55 174.03 3hds s LEU 7 N 0.43 4.13 -0.05 -1.29 1.43 -0.28 -1.07 118.68 121.99 3hds s LEU 7 Ca -0.06 0.59 0.01 0.00 -1.03 0.00 0.00 54.13 53.65 3hds s LEU 7 Cb -0.10 -2.63 -0.03 0.00 0.03 0.00 0.00 46.19 43.46 3hds s LEU 7 CO 0.00 -0.16 -0.07 -0.76 0.23 0.00 0.00 176.35 175.60 3hds s LEU 8 N 1.62 3.18 -0.10 1.79 1.02 0.17 -1.52 118.68 124.84 3hds s LEU 8 Ca 0.22 -0.05 0.04 0.00 0.02 0.00 0.00 54.13 54.35 3hds s LEU 8 Cb -0.15 -1.73 -0.00 0.00 0.02 0.00 0.00 46.19 44.33 3hds s LEU 8 CO 0.09 0.34 -0.24 -0.69 0.02 0.00 0.00 176.35 175.87 3hds s VAL 9 N -0.87 2.07 0.74 -1.59 1.01 -0.23 -0.91 120.40 120.63 3hds s VAL 9 Ca 0.14 -1.02 -0.13 0.00 0.00 0.00 0.00 61.98 60.97 3hds s VAL 9 Cb -0.11 -1.79 0.04 0.00 0.00 0.00 0.00 36.38 34.53 3hds s VAL 9 CO 0.03 0.56 1.13 -1.59 0.00 0.00 0.00 175.10 175.24 3hds s LYS 10 N 0.34 2.26 0.43 2.72 -2.85 -1.26 -0.37 119.74 121.00 3hds s LYS 10 Ca -0.19 1.45 -0.26 0.00 -1.00 0.00 0.00 55.97 55.98 3hds s LYS 10 Cb -0.18 -1.88 -0.09 0.00 -2.06 0.00 0.00 37.83 33.62 3hds s LYS 10 CO 0.09 -1.68 1.36 -2.30 0.10 0.00 0.00 175.35 172.92 3hds n PRO 11 N -3.00 2.12 -0.32 1.78 -0.02 -1.26 -4.29 135.00 130.01 3hds n PRO 11 Ca 0.11 0.75 0.21 0.00 -2.02 0.00 0.00 63.50 62.55 3hds n PRO 11 Cb 0.52 -2.51 0.42 0.00 -0.02 0.00 0.00 33.50 31.91 3hds n PRO 11 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3hds h GLU 12 N 2.24 0.14 -0.00 -0.52 4.22 -1.96 -1.98 114.58 116.72 3hds h GLU 12 Ca -0.49 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 58.94 3hds h GLU 12 Cb 1.28 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3hds h GLU 12 CO 0.61 0.09 -0.41 -1.13 -2.18 0.00 0.00 179.01 175.99 3hds n SER 13 N -5.24 0.62 -4.88 1.04 3.41 -1.26 -4.91 113.62 102.41 3hds n SER 13 Ca 0.29 -0.41 -0.36 0.00 -0.26 0.00 0.00 58.87 58.13 3hds n SER 13 Cb 0.94 0.19 -0.06 0.00 -0.26 0.00 0.00 64.21 65.02 3hds n SER 13 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 3hds s MET 14 N -2.86 3.57 0.62 4.33 -2.45 -0.75 -5.08 119.30 116.69 3hds s MET 14 Ca 0.15 -0.03 -0.16 0.00 -1.25 0.00 0.00 55.69 54.39 3hds s MET 14 Cb 0.18 -3.14 -0.02 0.00 1.25 0.00 0.00 34.83 33.10 3hds s MET 14 CO 0.64 0.71 1.11 -1.54 1.05 0.00 0.00 175.02 176.99 3hds s SER 15 N -1.37 5.34 0.26 1.11 1.04 -1.26 -4.80 113.70 114.02 3hds s SER 15 Ca 0.22 2.04 -0.02 0.00 0.48 0.00 0.00 55.95 58.67 3hds s SER 15 Cb -0.13 -2.56 0.45 0.00 0.10 0.00 0.00 66.02 63.88 3hds s SER 15 CO 0.11 -1.47 1.85 0.45 0.98 0.00 0.00 173.24 175.15 3hds h HIS 16 N 0.40 1.08 -0.39 5.02 3.86 -1.98 -0.99 115.15 122.15 3hds h HIS 16 Ca -0.48 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 58.80 3hds h HIS 16 Cb 1.25 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 29.34 3hds h HIS 16 CO 0.54 0.48 0.19 1.49 0.86 0.00 0.00 177.93 181.49 3hds h GLU 17 N 1.00 0.37 -0.12 2.45 4.81 -2.01 -1.35 114.58 119.74 3hds h GLU 17 Ca 0.44 -0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 59.46 3hds h GLU 17 Cb 0.33 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 3hds h GLU 17 CO -0.22 0.25 -0.71 0.37 -0.73 0.00 0.00 179.01 177.96 3hds h GLN 18 N 0.39 0.54 -0.71 1.92 5.75 -1.89 -2.86 115.11 118.25 3hds h GLN 18 Ca 0.17 -0.42 0.06 0.00 -0.15 0.00 0.00 58.65 58.31 3hds h GLN 18 Cb 0.08 0.08 -0.06 0.00 1.07 0.00 0.00 27.48 28.66 3hds h GLN 18 CO -0.12 1.05 0.41 0.35 -2.65 0.00 0.00 178.83 177.86 3hds h PHE 19 N 0.37 0.75 -0.46 3.99 3.57 -0.89 -0.31 116.94 123.96 3hds h PHE 19 Ca -0.03 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.55 3hds h PHE 19 Cb 1.30 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 39.76 3hds h PHE 19 CO 0.06 0.36 0.19 -0.09 -2.23 0.00 0.00 178.31 176.60 3hds h ARG 20 N 0.74 0.38 -0.76 1.11 2.43 -1.13 -0.59 114.38 116.57 3hds h ARG 20 Ca 0.32 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.51 3hds h ARG 20 Cb 0.19 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.60 3hds h ARG 20 CO -0.18 0.25 0.47 0.87 -1.51 0.00 0.00 179.97 179.86 3hds h LYS 21 N 0.39 0.85 0.00 0.20 1.57 -1.10 -2.51 116.57 115.97 3hds h LYS 21 Ca 0.21 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.83 3hds h LYS 21 Cb 0.17 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3hds h LYS 21 CO -0.19 0.56 -0.54 0.93 -0.57 0.00 0.00 179.45 179.64 3hds h GLU 22 N 0.88 0.00 -0.40 3.15 4.39 -0.51 -1.32 114.58 120.77 3hds h GLU 22 Ca 0.32 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.02 3hds h GLU 22 Cb 0.10 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 3hds h GLU 22 CO -0.14 0.54 0.24 0.00 -1.16 0.00 0.00 179.01 178.49 3hds h VAL 24 N 0.52 1.20 -0.52 0.00 2.07 -1.09 -1.22 116.25 117.20 3hds h VAL 24 Ca 0.14 -0.57 0.05 0.00 0.82 0.00 0.00 66.70 67.14 3hds h VAL 24 Cb -0.01 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.38 3hds h VAL 24 CO -0.03 0.22 0.25 0.58 0.02 0.00 0.00 177.57 178.62 3hds h VAL 25 N 0.65 0.93 -0.65 2.57 2.07 -1.01 -0.12 116.25 120.68 3hds h VAL 25 Ca 0.17 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3hds h VAL 25 Cb 0.14 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 3hds h VAL 25 CO -0.02 0.09 0.38 -0.74 0.02 0.00 0.00 177.57 177.30 3hds h HIS 26 N 0.49 0.87 -0.38 1.57 2.76 -0.26 0.22 115.15 120.42 3hds h HIS 26 Ca 0.24 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.41 3hds h HIS 26 Cb 0.17 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 28.82 3hds h HIS 26 CO -0.11 0.60 0.23 0.35 -1.30 0.00 0.00 177.93 177.71 3hds h PHE 27 N 0.89 0.44 -0.66 5.26 3.57 -0.80 -2.55 116.94 123.09 3hds h PHE 27 Ca 0.23 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 3hds h PHE 27 Cb -0.00 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 3hds h PHE 27 CO -0.01 0.26 0.35 1.96 -2.23 0.00 0.00 178.31 178.64 3hds h GLN 28 N 0.47 0.91 0.00 1.11 4.20 -0.26 -1.48 115.11 120.05 3hds h GLN 28 Ca 0.15 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 3hds h GLN 28 Cb -0.01 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.59 3hds h GLN 28 CO -0.06 0.67 -0.04 0.52 -0.67 0.00 0.00 178.83 179.25 3hds h MET 29 N 0.92 0.00 0.00 1.46 2.86 -0.74 -2.83 114.93 116.60 3hds h MET 29 Ca 0.23 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.87 3hds h MET 29 Cb 0.03 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 3hds h MET 29 CO -0.04 0.04 -0.02 0.66 1.06 0.00 0.00 176.91 178.62 3hds h SER 30 N 0.00 0.00 -2.48 1.22 4.64 -0.85 -3.43 113.55 112.65 3hds h SER 30 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 3hds h SER 30 Cb 0.43 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.54 3hds h SER 30 CO 0.01 0.02 1.15 0.00 -0.87 0.00 0.00 176.83 177.14 3hds s ALA 31 N -3.52 3.68 0.00 5.18 0.00 -1.07 -1.32 121.76 124.71 3hds s ALA 31 Ca 0.03 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.35 3hds s ALA 31 Cb 0.08 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.40 3hds s ALA 31 CO 0.59 -1.37 0.00 0.41 0.00 0.00 0.00 175.76 175.39 3hds n GLY 32 N 4.34 0.56 3.69 0.00 0.00 -1.26 -5.00 105.19 107.53 3hds n GLY 32 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3hds n GLY 32 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hds s MET 33 N -0.01 4.14 0.28 1.61 0.00 -0.44 -4.87 119.30 120.01 3hds s MET 33 Ca 0.00 2.59 -0.30 0.00 0.00 0.00 0.00 55.69 57.97 3hds s MET 33 Cb 0.00 -3.60 -0.12 0.00 0.00 0.00 0.00 34.83 31.11 3hds s MET 33 CO 0.00 -0.84 1.63 -2.30 0.00 0.00 0.00 175.02 173.51 3hds n PRO 34 N 5.70 2.74 -0.07 4.11 -0.02 -1.26 -2.10 135.00 144.10 3hds n PRO 34 Ca 0.18 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.63 3hds n PRO 34 Cb 0.38 -2.78 0.00 0.00 -0.02 0.00 0.00 33.50 31.08 3hds n PRO 34 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hds n GLY 35 N 2.49 2.69 3.65 -1.23 0.00 -1.26 -3.48 105.19 108.05 3hds n GLY 35 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 3hds n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hds s LEU 36 N 0.00 4.12 0.02 0.99 2.96 -0.89 -4.40 118.68 121.47 3hds s LEU 36 Ca 0.00 0.71 -0.12 0.00 -0.22 0.00 0.00 54.13 54.50 3hds s LEU 36 Cb 0.00 -2.79 -0.33 0.00 0.50 0.00 0.00 46.19 43.57 3hds s LEU 36 CO 0.00 -0.26 0.97 -0.74 -1.32 0.00 0.00 176.35 175.00 3hds h HIS 37 N 7.63 0.83 -2.25 5.38 -0.00 -1.17 -3.45 115.15 122.11 3hds h HIS 37 Ca -0.31 -0.60 -0.07 0.00 -0.00 0.00 0.00 60.37 59.39 3hds h HIS 37 Cb 1.14 -0.03 -0.21 0.00 -0.00 0.00 0.00 27.41 28.31 3hds h HIS 37 CO 0.72 1.52 0.04 0.21 -0.00 0.00 0.00 177.93 180.43 3hds s LYS 38 N -2.61 0.84 0.00 5.26 2.20 -1.13 -4.97 119.74 119.33 3hds s LYS 38 Ca -0.09 0.50 0.04 0.00 -0.36 0.00 0.00 55.97 56.06 3hds s LYS 38 Cb 0.05 0.40 -0.01 0.00 -1.51 0.00 0.00 37.83 36.76 3hds s LYS 38 CO 0.92 -0.19 -0.13 -0.47 -0.36 0.00 0.00 175.35 175.12 3hds s TYR 39 N -0.45 1.14 0.04 4.03 5.04 -1.26 -1.29 117.35 124.61 3hds s TYR 39 Ca -0.06 -0.25 0.03 0.00 -2.44 0.00 0.00 57.07 54.35 3hds s TYR 39 Cb -0.03 -0.72 -0.02 0.00 0.35 0.00 0.00 41.96 41.54 3hds s TYR 39 CO 0.05 -0.00 -0.10 -2.00 -1.34 0.00 0.00 175.55 172.16 3hds s GLU 40 N -0.54 0.63 -0.05 4.97 2.12 -0.46 -4.99 118.70 120.38 3hds s GLU 40 Ca 0.04 -0.72 -0.03 0.00 0.36 0.00 0.00 54.97 54.62 3hds s GLU 40 Cb -0.06 -0.50 0.02 0.00 0.26 0.00 0.00 34.13 33.86 3hds s GLU 40 CO 0.00 0.11 0.11 0.54 -0.54 0.00 0.00 175.26 175.48 3hds s VAL 41 N -1.12 -0.03 0.02 3.70 0.11 -1.26 -1.08 120.40 120.74 3hds s VAL 41 Ca -0.05 0.09 0.01 0.00 -2.93 0.00 0.00 61.98 59.10 3hds s VAL 41 Cb -0.09 -0.18 -0.01 0.00 -1.53 0.00 0.00 36.38 34.57 3hds s VAL 41 CO 0.01 0.04 -0.03 -0.13 -3.33 0.00 0.00 175.10 171.65 3hds s ARG 42 N 0.60 0.28 0.47 1.54 0.52 -0.39 -4.99 118.95 116.98 3hds s ARG 42 Ca -0.04 -0.44 -0.19 0.00 -0.52 0.00 0.00 55.73 54.54 3hds s ARG 42 Cb -0.06 -0.04 -0.09 0.00 0.52 0.00 0.00 34.95 35.27 3hds s ARG 42 CO -0.03 -0.00 0.96 -0.51 0.02 0.00 0.00 175.30 175.75 3hds s LEU 43 N -0.98 3.78 -0.42 2.53 1.43 -1.26 -0.58 118.68 123.18 3hds s LEU 43 Ca -0.09 1.62 -0.28 0.00 -1.03 0.00 0.00 54.13 54.35 3hds s LEU 43 Cb -0.07 -4.52 0.02 0.00 0.03 0.00 0.00 46.19 41.66 3hds s LEU 43 CO -0.00 -0.47 1.06 -0.69 0.23 0.00 0.00 176.35 176.48 3hds s VAL 44 N -2.40 4.38 -0.10 -1.59 1.01 -0.47 -4.83 120.40 116.40 3hds s VAL 44 Ca 0.60 1.30 0.21 0.00 0.00 0.00 0.00 61.98 64.09 3hds s VAL 44 Cb -0.09 -4.49 -0.27 0.00 0.00 0.00 0.00 36.38 31.53 3hds s VAL 44 CO 0.22 -0.77 0.48 0.00 0.00 0.00 0.00 175.10 175.03 3hds n ALA 45 N 7.33 2.42 -3.20 5.51 0.00 -1.26 -4.92 120.51 126.39 3hds n ALA 45 Ca 0.10 -0.67 -0.13 0.00 0.00 0.00 0.00 53.44 52.74 3hds n ALA 45 Cb 0.48 -0.68 -0.10 0.00 0.00 0.00 0.00 19.45 19.16 3hds n ALA 45 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hds s GLY 46 N -4.74 -0.15 -0.54 0.00 0.00 -1.26 -5.10 107.32 95.53 3hds s GLY 46 Ca -0.07 0.42 0.06 0.00 0.00 0.00 0.00 44.72 45.13 3hds s GLY 46 CO 0.87 0.25 0.60 0.70 0.00 0.00 0.00 173.10 175.53 3hds n ASN 47 N 1.81 2.09 -4.77 1.64 3.02 -1.26 -5.11 115.26 112.68 3hds n ASN 47 Ca -0.19 -3.07 -0.40 0.00 -0.03 0.00 0.00 54.58 50.89 3hds n ASN 47 Cb 0.56 -0.66 -0.01 0.00 -0.61 0.00 0.00 39.78 39.07 3hds n ASN 47 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3hds s PRO 48 N -1.69 4.11 0.00 3.52 0.04 -1.26 -4.93 135.00 134.80 3hds s PRO 48 Ca 0.36 2.25 0.03 0.00 0.04 0.00 0.00 61.00 63.68 3hds s PRO 48 Cb 0.12 -2.89 0.02 0.00 0.04 0.00 0.00 34.50 31.79 3hds s PRO 48 CO -0.08 -0.41 0.58 0.25 0.04 0.00 0.00 177.00 177.38 3hds n THR 49 N 0.40 0.00 -1.69 1.26 -2.24 -1.26 -4.81 114.28 105.93 3hds n THR 49 Ca 0.02 -0.50 -0.40 0.00 -2.27 0.00 0.00 64.05 60.90 3hds n THR 49 Cb 0.42 1.06 -0.01 0.00 -2.10 0.00 0.00 70.33 69.70 3hds n THR 49 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3hds n ASP 50 N 0.12 7.81 -4.89 3.42 5.75 -1.26 -4.83 116.55 122.67 3hds n ASP 50 Ca 0.02 -2.86 -0.29 0.00 -0.01 0.00 0.00 54.79 51.64 3hds n ASP 50 Cb 0.08 -1.48 -0.03 0.00 -1.03 0.00 0.00 41.12 38.65 3hds n ASP 50 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3hds s THR 51 N 0.79 4.93 -2.09 2.12 -4.23 -1.26 -4.98 115.64 110.91 3hds s THR 51 Ca 0.59 0.30 0.14 0.00 -1.18 0.00 0.00 61.69 61.55 3hds s THR 51 Cb 0.17 -3.72 0.36 0.00 1.34 0.00 0.00 72.50 70.65 3hds s THR 51 CO -0.07 -0.37 1.43 1.41 -0.54 0.00 0.00 174.62 176.47 3hds n HIS 52 N -1.00 0.18 -4.19 3.99 8.25 -1.26 -4.82 115.22 116.38 3hds n HIS 52 Ca -0.00 -0.09 -0.11 0.00 -0.26 0.00 0.00 57.72 57.25 3hds n HIS 52 Cb 0.54 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.55 3hds n HIS 52 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3hds s VAL 53 N -1.82 0.04 -0.27 1.59 1.01 -1.26 -5.09 120.40 114.60 3hds s VAL 53 Ca 0.24 -1.97 -0.39 0.00 0.00 0.00 0.00 61.98 59.85 3hds s VAL 53 Cb 0.12 -2.36 -0.15 0.00 0.00 0.00 0.00 36.38 33.99 3hds s VAL 53 CO 0.18 -0.14 1.81 -2.65 0.00 0.00 0.00 175.10 174.30 3hds n PRO 54 N -0.22 1.24 -1.76 2.72 -0.02 -1.26 -4.87 135.00 130.84 3hds n PRO 54 Ca -0.00 0.45 -0.41 0.00 -2.02 0.00 0.00 63.50 61.51 3hds n PRO 54 Cb 0.65 -2.19 -0.01 0.00 -0.02 0.00 0.00 33.50 31.94 3hds n PRO 54 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 3hds n TYR 55 N 6.00 2.92 -3.70 6.00 9.36 -1.26 -5.00 117.16 131.48 3hds n TYR 55 Ca 0.28 0.32 -0.38 0.00 3.32 0.00 0.00 57.90 61.44 3hds n TYR 55 Cb 0.15 -2.58 -0.12 0.00 -0.63 0.00 0.00 39.34 36.17 3hds n TYR 55 CO 0.00 0.00 0.00 -1.17 0.22 0.00 0.00 176.86 175.91 3hds s LEU 56 N -1.07 3.98 -0.24 2.98 2.96 -1.26 -5.08 118.68 120.94 3hds s LEU 56 Ca 0.60 -0.56 -0.23 0.00 -0.22 0.00 0.00 54.13 53.72 3hds s LEU 56 Cb -0.49 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.24 3hds s LEU 56 CO 0.54 -0.18 0.77 -0.62 -1.32 0.00 0.00 176.35 175.54 3hds s ASP 57 N 1.58 6.76 -0.07 3.68 2.15 -1.26 -4.90 116.67 124.61 3hds s ASP 57 Ca 0.04 0.94 0.11 0.00 0.43 0.00 0.00 52.55 54.07 3hds s ASP 57 Cb -0.17 -2.41 0.27 0.00 -0.30 0.00 0.00 42.92 40.31 3hds s ASP 57 CO 0.05 -0.47 1.20 1.33 -0.17 0.00 0.00 175.17 177.11 3hds n VAL 58 N 5.21 1.50 -4.26 1.11 0.24 -1.26 -5.11 118.33 115.77 3hds n VAL 58 Ca 0.04 -1.50 0.00 0.00 -2.04 0.00 0.00 64.34 60.84 3hds n VAL 58 Cb 0.48 0.15 0.00 0.00 -1.47 0.00 0.00 33.84 33.00 3hds n VAL 58 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hds n GLY 59 N -0.46 -1.11 3.61 7.63 0.00 -1.26 -4.80 105.19 108.80 3hds n GLY 59 Ca 0.12 -1.22 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 3hds n GLY 59 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hds s ARG 60 N 0.00 3.98 -0.13 1.61 3.52 -1.26 -5.05 118.95 121.63 3hds s ARG 60 Ca 0.00 0.51 -0.01 0.00 -0.13 0.00 0.00 55.73 56.10 3hds s ARG 60 Cb 0.00 -3.71 -0.02 0.00 -1.56 0.00 0.00 34.95 29.66 3hds s ARG 60 CO 0.00 -0.59 -0.09 0.42 -0.81 0.00 0.00 175.30 174.24 3hds s ILE 61 N 2.76 3.43 -0.15 4.11 -1.09 -1.26 -4.82 121.20 124.17 3hds s ILE 61 Ca 0.29 -0.53 0.17 0.00 -2.23 0.00 0.00 60.65 58.35 3hds s ILE 61 Cb -0.15 -2.46 -0.25 0.00 -1.58 0.00 0.00 42.46 38.02 3hds s ILE 61 CO 0.11 0.52 0.25 0.47 -1.23 0.00 0.00 174.94 175.06 3hds n ASP 62 N 3.41 0.21 -3.80 3.58 8.00 -0.08 -4.65 116.55 123.21 3hds n ASP 62 Ca -0.18 0.10 -0.09 0.00 0.71 0.00 0.00 54.79 55.33 3hds n ASP 62 Cb 0.53 0.82 -0.04 0.00 -0.02 0.00 0.00 41.12 42.40 3hds n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hds s ALA 63 N -2.60 -0.73 -0.13 2.24 0.00 -1.03 -1.37 121.76 118.15 3hds s ALA 63 Ca -0.08 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 51.50 3hds s ALA 63 Cb 0.07 0.87 0.02 0.00 0.00 0.00 0.00 23.12 24.08 3hds s ALA 63 CO 0.83 -0.79 -0.17 0.42 0.00 0.00 0.00 175.76 176.06 3hds s ILE 64 N -3.90 1.67 0.19 0.00 -1.09 0.25 -0.66 121.20 117.66 3hds s ILE 64 Ca 0.12 -0.73 0.09 0.00 -2.23 0.00 0.00 60.65 57.90 3hds s ILE 64 Cb -0.00 -1.52 -0.04 0.00 -1.58 0.00 0.00 42.46 39.31 3hds s ILE 64 CO -0.01 0.48 -0.11 -0.83 -1.23 0.00 0.00 174.94 173.24 3hds s GLY 65 N 1.09 1.73 -0.17 6.18 0.00 -0.23 -1.27 107.32 114.64 3hds s GLY 65 Ca -0.03 -1.52 -0.13 0.00 0.00 0.00 0.00 44.72 43.04 3hds s GLY 65 CO -0.04 -1.55 0.45 1.85 0.00 0.00 0.00 173.10 173.80 3hds s GLU 66 N -2.91 0.48 -0.03 2.90 2.12 -0.24 -0.15 118.70 120.88 3hds s GLU 66 Ca 0.25 0.72 0.07 0.00 0.36 0.00 0.00 54.97 56.36 3hds s GLU 66 Cb -0.08 0.14 -0.02 0.00 0.26 0.00 0.00 34.13 34.43 3hds s GLU 66 CO 0.15 -0.10 -0.23 0.00 -0.54 0.00 0.00 175.26 174.54 3hds s TRP 68 N -0.60 2.81 -0.05 0.00 0.51 -0.41 -1.73 118.94 119.47 3hds s TRP 68 Ca 0.09 -0.68 0.05 0.00 -2.12 0.00 0.00 56.10 53.44 3hds s TRP 68 Cb -0.10 -1.85 -0.01 0.00 -0.81 0.00 0.00 33.47 30.69 3hds s TRP 68 CO -0.00 -0.24 -0.21 -0.06 -0.51 0.00 0.00 176.95 175.93 3hds s PHE 69 N 0.42 2.06 -0.06 -1.98 0.08 0.10 -0.59 117.98 118.00 3hds s PHE 69 Ca -0.10 -0.62 0.25 0.00 0.12 0.00 0.00 56.93 56.58 3hds s PHE 69 Cb -0.16 -1.37 0.77 0.00 -0.57 0.00 0.00 43.02 41.69 3hds s PHE 69 CO 0.05 -0.21 1.76 0.00 -0.10 0.00 0.00 175.22 176.72 3hds h ALA 70 N 6.22 0.96 -2.49 5.36 0.00 -1.86 -1.26 119.26 126.19 3hds h ALA 70 Ca -0.31 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.56 3hds h ALA 70 Cb 1.18 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.82 3hds h ALA 70 CO 0.47 0.19 0.42 -1.54 0.00 0.00 0.00 179.25 178.79 3hds s SER 71 N -6.10 -0.35 0.25 0.00 1.04 -1.26 -4.73 113.70 102.54 3hds s SER 71 Ca 0.03 -0.15 -0.04 0.00 0.48 0.00 0.00 55.95 56.28 3hds s SER 71 Cb 0.08 0.48 0.46 0.00 0.10 0.00 0.00 66.02 67.14 3hds s SER 71 CO 0.64 -0.82 1.75 -0.33 0.98 0.00 0.00 173.24 175.46 3hds h GLU 72 N 2.00 0.53 -0.35 4.02 3.07 -2.00 -1.23 114.58 120.62 3hds h GLU 72 Ca -0.25 -0.03 -0.13 0.00 -0.50 0.00 0.00 59.36 58.45 3hds h GLU 72 Cb 1.25 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 29.03 3hds h GLU 72 CO 0.30 0.35 -0.30 0.93 -1.40 0.00 0.00 179.01 178.90 3hds h GLU 73 N 0.55 0.75 -0.47 2.33 3.07 -1.99 -1.74 114.58 117.07 3hds h GLU 73 Ca 0.42 -0.34 -0.12 0.00 -0.50 0.00 0.00 59.36 58.82 3hds h GLU 73 Cb 0.58 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.46 3hds h GLU 73 CO -0.36 0.95 -0.17 1.96 -1.40 0.00 0.00 179.01 179.99 3hds h GLN 74 N 0.64 0.93 -0.93 2.33 1.08 -1.73 -1.14 115.11 116.28 3hds h GLN 74 Ca 0.07 -0.36 0.08 0.00 -1.45 0.00 0.00 58.65 56.99 3hds h GLN 74 Cb 0.82 -0.05 -0.07 0.00 -0.05 0.00 0.00 27.48 28.13 3hds h GLN 74 CO 0.07 1.02 0.58 -0.92 -0.95 0.00 0.00 178.83 178.63 3hds h TYR 75 N 0.81 1.08 -0.36 2.96 3.20 -1.03 -1.41 116.97 122.22 3hds h TYR 75 Ca 0.12 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.89 3hds h TYR 75 Cb 0.72 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 3hds h TYR 75 CO 0.04 0.52 -0.28 0.37 -1.64 0.00 0.00 178.16 177.17 3hds h GLN 76 N 1.03 0.77 -0.36 1.82 5.75 -0.95 -0.44 115.11 122.74 3hds h GLN 76 Ca 0.42 -0.34 0.07 0.00 -0.15 0.00 0.00 58.65 58.65 3hds h GLN 76 Cb 0.25 -0.02 -0.06 0.00 1.07 0.00 0.00 27.48 28.72 3hds h GLN 76 CO -0.20 0.96 -0.02 0.28 -2.65 0.00 0.00 178.83 177.20 3hds h VAL 77 N 0.66 0.71 -0.20 2.39 2.07 -0.73 -1.13 116.25 120.01 3hds h VAL 77 Ca 0.08 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.60 3hds h VAL 77 Cb 0.81 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 3hds h VAL 77 CO 0.07 0.01 0.04 0.22 0.02 0.00 0.00 177.57 177.93 3hds h TYR 78 N 0.07 0.07 -0.42 1.57 3.20 -1.04 -2.46 116.97 117.96 3hds h TYR 78 Ca 0.17 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 3hds h TYR 78 Cb 0.25 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 3hds h TYR 78 CO -0.27 0.02 0.12 0.52 -1.64 0.00 0.00 178.16 176.91 3hds h MET 79 N 0.12 0.61 -0.44 1.82 2.86 -0.66 -2.25 114.93 116.99 3hds h MET 79 Ca 0.09 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3hds h MET 79 Cb 0.09 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.64 3hds h MET 79 CO -0.12 0.55 0.00 -0.85 1.06 0.00 0.00 176.91 177.55 3hds n GLU 80 N -4.33 2.20 -2.77 1.72 0.28 -0.47 -4.92 120.64 112.35 3hds n GLU 80 Ca 0.03 -1.84 -0.42 0.00 -0.16 0.00 0.00 57.16 54.77 3hds n GLU 80 Cb 0.18 -1.43 -0.03 0.00 1.43 0.00 0.00 31.44 31.59 3hds n GLU 80 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3hds s SER 81 N -1.21 7.32 0.29 -1.84 0.15 -0.85 -4.97 113.70 112.59 3hds s SER 81 Ca 0.36 1.60 -0.03 0.00 0.70 0.00 0.00 55.95 58.58 3hds s SER 81 Cb 0.19 -2.55 0.40 0.00 -1.71 0.00 0.00 66.02 62.36 3hds s SER 81 CO 0.26 -0.22 1.95 0.44 1.20 0.00 0.00 173.24 176.87 3hds h ASP 82 N 6.70 0.98 -0.85 5.45 3.32 -1.91 -2.74 116.42 127.37 3hds h ASP 82 Ca -0.41 -0.04 0.04 0.00 0.02 0.00 0.00 57.03 56.64 3hds h ASP 82 Cb 1.22 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 40.47 3hds h ASP 82 CO 0.75 0.72 0.54 0.40 -1.72 0.00 0.00 179.24 179.93 3hds h ILE 83 N 1.14 1.10 -0.76 0.35 2.04 -1.94 -2.37 117.51 117.06 3hds h ILE 83 Ca 0.30 -0.35 -0.06 0.00 1.00 0.00 0.00 64.86 65.76 3hds h ILE 83 Cb -0.10 -0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 35.94 3hds h ILE 83 CO -0.06 0.19 0.26 -0.09 0.00 0.00 0.00 178.15 178.44 3hds h ARG 84 N 1.02 1.18 -0.75 2.37 2.43 -1.76 -2.37 114.38 116.50 3hds h ARG 84 Ca 0.35 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 3hds h ARG 84 Cb 0.07 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.41 3hds h ARG 84 CO -0.14 0.99 0.43 0.87 -1.51 0.00 0.00 179.97 180.61 3hds h LYS 85 N 1.13 1.02 -0.80 0.20 1.57 -1.21 0.97 116.57 119.44 3hds h LYS 85 Ca 0.25 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 3hds h LYS 85 Cb 0.29 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 3hds h LYS 85 CO -0.01 0.73 0.47 0.00 -0.57 0.00 0.00 179.45 180.07 3hds h ALA 86 N 1.44 1.02 -0.70 3.86 0.00 -1.26 -1.03 119.26 122.60 3hds h ALA 86 Ca 0.27 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3hds h ALA 86 Cb -0.01 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 3hds h ALA 86 CO -0.05 0.50 0.24 2.35 0.00 0.00 0.00 179.25 182.29 3hds h TRP 87 N 1.10 1.10 -0.16 0.00 7.01 -0.82 -2.56 115.95 121.61 3hds h TRP 87 Ca 0.29 -0.10 -0.08 0.00 2.11 0.00 0.00 58.89 61.11 3hds h TRP 87 Cb -0.02 -0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 26.70 3hds h TRP 87 CO -0.00 0.87 -0.25 0.74 -2.79 0.00 0.00 178.44 177.01 3hds h PHE 88 N 1.01 0.32 -0.54 2.65 -1.00 -0.54 -0.22 116.94 118.62 3hds h PHE 88 Ca 0.23 -0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.95 3hds h PHE 88 Cb 0.27 -0.08 -0.03 0.00 3.61 0.00 0.00 35.95 39.72 3hds h PHE 88 CO 0.02 0.52 0.34 0.93 -1.61 0.00 0.00 178.31 178.51 3hds h GLU 89 N 0.26 0.72 -0.56 1.51 4.39 -0.90 -1.09 114.58 118.91 3hds h GLU 89 Ca 0.04 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 3hds h GLU 89 Cb 0.58 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.05 3hds h GLU 89 CO 0.04 0.50 0.31 1.25 -1.16 0.00 0.00 179.01 179.96 3hds h HIS 90 N 0.73 0.77 -0.79 4.33 2.76 -1.03 -2.57 115.15 119.35 3hds h HIS 90 Ca 0.20 -0.02 0.17 0.00 -2.20 0.00 0.00 60.37 58.52 3hds h HIS 90 Cb -0.05 -0.25 -0.11 0.00 1.55 0.00 0.00 27.41 28.55 3hds h HIS 90 CO -0.03 0.56 0.26 0.78 -1.30 0.00 0.00 177.93 178.19 3hds h GLY 91 N 0.76 1.19 2.00 5.26 0.00 -0.61 -1.31 103.07 110.36 3hds h GLY 91 Ca 0.20 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.41 3hds h GLY 91 CO -0.03 -0.20 -0.15 0.50 0.00 0.00 0.00 176.54 176.66 3hds h LYS 92 N 0.34 0.00 -0.09 4.80 1.57 -0.80 -0.10 116.57 122.29 3hds h LYS 92 Ca 0.46 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.16 3hds h LYS 92 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.10 3hds h LYS 92 CO -0.50 0.15 -0.23 -0.92 -0.57 0.00 0.00 179.45 177.37 3hds h TYR 93 N 0.00 0.41 -0.01 -1.35 3.20 -1.10 -3.38 116.97 114.74 3hds h TYR 93 Ca -0.00 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.71 3hds h TYR 93 Cb 0.28 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.48 3hds h TYR 93 CO 0.00 0.85 -0.31 1.97 -1.64 0.00 0.00 178.16 179.03 3hds n PHE 94 N -4.50 0.00 -3.84 -3.82 1.16 -1.04 -4.86 117.46 100.55 3hds n PHE 94 Ca -0.08 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.14 3hds n PHE 94 Cb 0.44 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 38.17 3hds n PHE 94 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 3hds s ILE 95 N -1.79 3.56 -0.05 1.97 1.01 -0.07 -4.11 121.20 121.72 3hds s ILE 95 Ca 0.12 -0.73 -0.22 0.00 0.00 0.00 0.00 60.65 59.82 3hds s ILE 95 Cb 0.12 -2.78 -0.29 0.00 0.01 0.00 0.00 42.46 39.52 3hds s ILE 95 CO 0.37 0.19 0.94 1.23 0.00 0.00 0.00 174.94 177.67 3hds h GLY 96 N 8.15 0.32 -4.04 6.18 0.00 -0.89 -3.44 103.07 109.35 3hds h GLY 96 Ca -0.34 -0.73 -0.11 0.00 0.00 0.00 0.00 47.33 46.15 3hds h GLY 96 CO 0.59 0.64 -0.36 1.20 0.00 0.00 0.00 176.54 178.61 3hds s GLN 97 N -2.63 0.70 -0.24 4.80 -0.21 -1.02 -4.92 119.66 116.15 3hds s GLN 97 Ca -0.14 -0.54 -0.20 0.00 0.02 0.00 0.00 55.36 54.49 3hds s GLN 97 Cb 0.01 0.29 0.06 0.00 1.00 0.00 0.00 33.01 34.38 3hds s GLN 97 CO 0.81 -0.20 0.62 -1.17 -2.12 0.00 0.00 175.29 173.23 3hds s LEU 98 N -1.95 -0.44 -0.26 2.90 0.20 -1.26 -1.06 118.68 116.81 3hds s LEU 98 Ca -0.07 1.27 -0.01 0.00 0.69 0.00 0.00 54.13 56.02 3hds s LEU 98 Cb -0.02 2.13 0.04 0.00 -0.43 0.00 0.00 46.19 47.91 3hds s LEU 98 CO -0.02 -0.22 -0.07 -0.75 -0.29 0.00 0.00 176.35 175.00 3hds s LYS 99 N 0.55 2.65 0.10 1.98 2.47 -0.58 -4.97 119.74 121.94 3hds s LYS 99 Ca -0.02 -1.10 -0.13 0.00 -1.56 0.00 0.00 55.97 53.17 3hds s LYS 99 Cb -0.05 -2.97 -0.06 0.00 -1.46 0.00 0.00 37.83 33.29 3hds s LYS 99 CO -0.02 -0.46 0.47 -2.14 0.16 0.00 0.00 175.35 173.36 3hds s PRO 100 N 1.26 3.90 -0.11 4.03 0.02 -1.26 -1.13 135.00 141.71 3hds s PRO 100 Ca -0.02 0.37 0.01 0.00 0.02 0.00 0.00 61.00 61.37 3hds s PRO 100 Cb -0.18 -3.01 0.02 0.00 0.02 0.00 0.00 34.50 31.35 3hds s PRO 100 CO -0.05 0.55 -0.11 -0.06 -0.33 0.00 0.00 177.00 177.00 3hds s PHE 101 N -1.37 1.68 -0.21 6.54 0.08 0.52 -4.98 117.98 120.24 3hds s PHE 101 Ca 0.33 -0.82 -0.24 0.00 0.12 0.00 0.00 56.93 56.33 3hds s PHE 101 Cb -0.15 -1.30 -0.01 0.00 -0.57 0.00 0.00 43.02 40.99 3hds s PHE 101 CO 0.18 -0.49 0.77 0.08 -0.10 0.00 0.00 175.22 175.66 3hds s VAL 102 N 1.34 4.90 0.34 -0.44 1.01 -1.26 -0.68 120.40 125.61 3hds s VAL 102 Ca -0.01 1.47 0.07 0.00 0.00 0.00 0.00 61.98 63.51 3hds s VAL 102 Cb -0.14 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 3hds s VAL 102 CO -0.05 0.00 0.47 0.42 0.00 0.00 0.00 175.10 175.94 3hds s THR 103 N 2.42 3.98 -0.01 3.92 -4.23 -0.80 -5.02 115.64 115.91 3hds s THR 103 Ca 0.34 -1.01 0.01 0.00 -1.18 0.00 0.00 61.69 59.84 3hds s THR 103 Cb -0.16 -3.37 0.01 0.00 1.34 0.00 0.00 72.50 70.32 3hds s THR 103 CO 0.09 -0.15 -0.01 -0.70 -0.54 0.00 0.00 174.62 173.32 3hds s GLU 104 N -4.18 0.22 0.61 3.99 2.12 -1.26 -4.58 118.70 115.62 3hds s GLU 104 Ca 0.45 -0.00 -0.15 0.00 0.36 0.00 0.00 54.97 55.63 3hds s GLU 104 Cb -0.09 -0.31 -0.03 0.00 0.26 0.00 0.00 34.13 33.96 3hds s GLU 104 CO 0.31 -0.04 1.06 -1.83 -0.54 0.00 0.00 175.26 174.22 3hds s GLU 105 N 0.44 3.24 0.49 4.30 1.03 -1.26 -5.07 118.70 121.88 3hds s GLU 105 Ca -0.04 1.18 0.04 0.00 0.03 0.00 0.00 54.97 56.18 3hds s GLU 105 Cb -0.07 -2.02 -0.01 0.00 -0.80 0.00 0.00 34.13 31.23 3hds s GLU 105 CO -0.01 -0.87 0.15 -0.51 -1.33 0.00 0.00 175.26 172.69 3hds s LEU 106 N -4.66 2.62 0.00 1.83 1.43 -1.26 -5.17 118.68 113.48 3hds s LEU 106 Ca 0.63 -1.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.33 3hds s LEU 106 Cb -0.16 -1.01 0.00 0.00 0.03 0.00 0.00 46.19 45.05 3hds s LEU 106 CO 0.39 -0.83 0.00 0.52 0.23 0.00 0.00 176.35 176.67