#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hds h GLN -7 N 0.00 0.66 -0.04 0.54 4.20 -2.06 -2.89 115.11 115.52 3hds h GLN -7 Ca 0.00 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.68 3hds h GLN -7 Cb 0.00 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 3hds h GLN -7 CO 0.00 0.44 -0.01 0.35 -0.67 0.00 0.00 178.83 178.93 3hds h PHE -6 N 0.68 -0.03 -0.22 2.96 3.57 -2.05 -2.28 116.94 119.57 3hds h PHE -6 Ca 0.41 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.85 3hds h PHE -6 Cb 0.47 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 3hds h PHE -6 CO -0.09 -0.02 -0.16 1.49 -2.23 0.00 0.00 178.31 177.30 3hds h GLU -5 N -0.01 0.37 -0.35 1.11 4.81 -1.97 -0.32 114.58 118.22 3hds h GLU -5 Ca 0.02 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 3hds h GLU -5 Cb 0.04 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3hds h GLU -5 CO -0.05 0.52 0.12 -0.22 -0.73 0.00 0.00 179.01 178.66 3hds h LYS -4 N 0.34 0.54 -0.12 1.92 3.64 -1.30 -0.63 116.57 120.96 3hds h LYS -4 Ca 0.06 -0.11 -0.19 0.00 -1.27 0.00 0.00 60.65 59.14 3hds h LYS -4 Cb 0.48 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3hds h LYS -4 CO 0.03 0.56 -0.72 0.82 -2.27 0.00 0.00 179.45 177.87 3hds h ILE -3 N 0.42 1.34 -0.91 2.00 1.08 -1.12 -2.97 117.51 117.36 3hds h ILE -3 Ca 0.12 -2.04 0.01 0.00 -0.39 0.00 0.00 64.86 62.55 3hds h ILE -3 Cb 0.23 2.02 -0.04 0.00 -3.07 0.00 0.00 36.82 35.96 3hds h ILE -3 CO -0.01 0.63 0.59 -0.08 -0.69 0.00 0.00 178.15 178.59 3hds h GLU -2 N 0.38 1.20 0.00 2.37 4.81 -1.00 -2.14 114.58 120.21 3hds h GLU -2 Ca -0.03 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 3hds h GLU -2 Cb 1.31 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 30.42 3hds h GLU -2 CO 0.13 0.80 -0.10 0.78 -0.73 0.00 0.00 179.01 179.89 3hds h GLY -1 N 1.23 0.00 -1.76 1.92 0.00 -0.95 -2.29 103.07 101.23 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 -3.39 2.21 -0.66 4.80 1.74 -0.82 -4.87 116.66 115.66 3hds n ARG 0 Ca -0.01 -1.83 -0.29 0.00 -0.77 0.00 0.00 57.85 54.95 3hds n ARG 0 Cb 0.27 -1.46 0.23 0.00 -1.02 0.00 0.00 32.46 30.48 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 -1.56 -0.40 0.06 5.56 -1.94 -0.86 -4.93 119.30 115.23 3hds s MET 1 Ca 0.36 0.92 -0.30 0.00 -1.71 0.00 0.00 55.69 54.96 3hds s MET 1 Cb 0.20 -1.61 -0.09 0.00 2.01 0.00 0.00 34.83 35.34 3hds s MET 1 CO 0.29 -3.40 1.88 0.42 -0.01 0.00 0.00 175.02 174.19 3hds s ILE 2 N -2.56 2.89 -0.03 2.53 1.01 -0.64 -4.88 121.20 119.51 3hds s ILE 2 Ca 0.68 0.11 0.03 0.00 0.00 0.00 0.00 60.65 61.46 3hds s ILE 2 Cb -0.24 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.17 3hds s ILE 2 CO 0.63 -0.01 -0.10 -0.13 0.00 0.00 0.00 174.94 175.33 3hds s ARG 3 N 3.73 1.04 -0.12 2.79 0.52 -1.26 -0.60 118.95 125.05 3hds s ARG 3 Ca 0.84 -0.33 0.01 0.00 -0.52 0.00 0.00 55.73 55.73 3hds s ARG 3 Cb -0.43 -0.96 0.02 0.00 0.52 0.00 0.00 34.95 34.09 3hds s ARG 3 CO 0.38 0.12 -0.16 0.42 0.02 0.00 0.00 175.30 176.09 3hds s ILE 4 N 0.20 1.57 -0.09 1.52 1.01 -0.57 -2.20 121.20 122.63 3hds s ILE 4 Ca -0.03 -0.67 -0.03 0.00 0.00 0.00 0.00 60.65 59.92 3hds s ILE 4 Cb -0.09 -1.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 3hds s ILE 4 CO 0.01 0.46 0.03 -0.22 0.00 0.00 0.00 174.94 175.21 3hds s LEU 5 N 1.12 3.72 -0.04 2.97 2.96 -0.08 -1.01 118.68 128.32 3hds s LEU 5 Ca -0.03 0.19 0.04 0.00 -0.22 0.00 0.00 54.13 54.11 3hds s LEU 5 Cb -0.14 -1.86 -0.00 0.00 0.50 0.00 0.00 46.19 44.68 3hds s LEU 5 CO -0.04 0.38 -0.15 -0.31 -1.32 0.00 0.00 176.35 174.90 3hds s TYR 6 N -0.86 1.56 -0.17 5.38 2.02 0.11 -0.41 117.35 124.97 3hds s TYR 6 Ca 0.13 -0.45 -0.17 0.00 -0.37 0.00 0.00 57.07 56.21 3hds s TYR 6 Cb -0.11 -1.06 -0.04 0.00 -0.40 0.00 0.00 41.96 40.34 3hds s TYR 6 CO 0.03 -0.16 0.44 -0.51 -1.57 0.00 0.00 175.55 173.77 3hds s LEU 7 N 0.12 4.20 -0.12 -1.29 1.43 -0.05 -1.01 118.68 121.95 3hds s LEU 7 Ca -0.05 0.64 0.03 0.00 -1.03 0.00 0.00 54.13 53.73 3hds s LEU 7 Cb -0.11 -2.60 0.00 0.00 0.03 0.00 0.00 46.19 43.51 3hds s LEU 7 CO 0.02 -0.05 -0.22 -0.76 0.23 0.00 0.00 176.35 175.57 3hds s LEU 8 N 1.06 2.16 -0.16 1.79 1.43 0.14 -1.43 118.68 123.68 3hds s LEU 8 Ca 0.22 -0.56 -0.04 0.00 -1.03 0.00 0.00 54.13 52.72 3hds s LEU 8 Cb -0.15 -1.44 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 3hds s LEU 8 CO 0.09 0.12 -0.02 -0.69 0.23 0.00 0.00 176.35 176.08 3hds s VAL 9 N 0.56 4.05 0.68 -1.59 1.01 -0.24 -1.17 120.40 123.70 3hds s VAL 9 Ca -0.13 -0.30 -0.15 0.00 0.00 0.00 0.00 61.98 61.40 3hds s VAL 9 Cb -0.17 -2.78 0.01 0.00 0.00 0.00 0.00 36.38 33.44 3hds s VAL 9 CO 0.04 0.49 1.13 -1.59 0.00 0.00 0.00 175.10 175.17 3hds s LYS 10 N 0.34 2.63 0.40 2.72 -2.85 -1.26 -0.42 119.74 121.30 3hds s LYS 10 Ca -0.03 1.45 -0.27 0.00 -1.00 0.00 0.00 55.97 56.13 3hds s LYS 10 Cb -0.14 -1.92 -0.10 0.00 -2.06 0.00 0.00 37.83 33.60 3hds s LYS 10 CO 0.02 -1.39 1.36 -2.30 0.10 0.00 0.00 175.35 173.14 3hds n PRO 11 N -2.53 2.22 -0.34 1.78 -0.02 -1.26 -4.30 135.00 130.55 3hds n PRO 11 Ca 0.11 0.78 0.12 0.00 -2.02 0.00 0.00 63.50 62.50 3hds n PRO 11 Cb 0.52 -2.49 0.33 0.00 -0.02 0.00 0.00 33.50 31.84 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 2.44 0.75 0.00 -0.52 4.57 -1.97 -2.02 114.58 117.84 3hds h GLU 12 Ca -0.49 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.65 3hds h GLU 12 Cb 1.27 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.69 3hds h GLU 12 CO 0.62 0.50 -0.44 0.66 -1.18 0.00 0.00 179.01 179.17 3hds h SER 13 N 0.78 0.00 -3.53 1.04 4.64 -2.03 -3.46 113.55 110.98 3hds h SER 13 Ca 0.54 -0.11 -0.53 0.00 -0.47 0.00 0.00 61.79 61.23 3hds h SER 13 Cb 0.82 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.88 3hds h SER 13 CO -0.32 0.05 0.20 -0.32 -0.87 0.00 0.00 176.83 175.57 3hds s MET 14 N -3.18 4.59 0.61 4.77 -2.45 -0.76 -5.02 119.30 117.86 3hds s MET 14 Ca 0.07 1.18 -0.16 0.00 -1.25 0.00 0.00 55.69 55.53 3hds s MET 14 Cb 0.12 -3.28 -0.02 0.00 1.25 0.00 0.00 34.83 32.89 3hds s MET 14 CO 0.69 0.52 1.09 -1.54 1.05 0.00 0.00 175.02 176.83 3hds s SER 15 N -0.97 5.48 0.28 1.11 1.04 -1.26 -4.83 113.70 114.55 3hds s SER 15 Ca 0.37 1.95 0.00 0.00 0.48 0.00 0.00 55.95 58.75 3hds s SER 15 Cb -0.23 -2.55 0.51 0.00 0.10 0.00 0.00 66.02 63.85 3hds s SER 15 CO 0.26 -1.37 1.86 0.45 0.98 0.00 0.00 173.24 175.42 3hds h HIS 16 N 0.39 1.15 -0.45 5.02 3.86 -1.95 -1.04 115.15 122.13 3hds h HIS 16 Ca -0.47 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 58.79 3hds h HIS 16 Cb 1.24 -0.37 -0.03 0.00 1.06 0.00 0.00 27.41 29.30 3hds h HIS 16 CO 0.56 0.52 0.26 1.49 0.86 0.00 0.00 177.93 181.62 3hds h GLU 17 N 1.06 0.50 -0.00 2.45 4.81 -2.00 -1.47 114.58 119.92 3hds h GLU 17 Ca 0.46 -0.03 -0.20 0.00 -0.13 0.00 0.00 59.36 59.46 3hds h GLU 17 Cb 0.35 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 3hds h GLU 17 CO -0.22 0.33 -0.88 0.37 -0.73 0.00 0.00 179.01 177.88 3hds h GLN 18 N 0.52 0.28 -0.66 1.92 5.75 -1.85 -2.79 115.11 118.28 3hds h GLN 18 Ca 0.18 -0.30 0.05 0.00 -0.15 0.00 0.00 58.65 58.44 3hds h GLN 18 Cb 0.03 0.08 -0.05 0.00 1.07 0.00 0.00 27.48 28.61 3hds h GLN 18 CO -0.09 1.00 0.37 0.35 -2.65 0.00 0.00 178.83 177.81 3hds h PHE 19 N 0.16 0.69 -0.43 3.99 3.57 -0.86 0.62 116.94 124.67 3hds h PHE 19 Ca -0.05 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.53 3hds h PHE 19 Cb 1.51 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 39.99 3hds h PHE 19 CO 0.04 0.34 0.15 0.00 -2.23 0.00 0.00 178.31 176.61 3hds h ARG 20 N 0.70 0.30 -0.71 1.11 3.08 -1.19 0.10 114.38 117.77 3hds h ARG 20 Ca 0.29 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.29 3hds h ARG 20 Cb 0.15 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 3hds h ARG 20 CO -0.16 0.20 0.31 0.87 -1.07 0.00 0.00 179.97 180.12 3hds h LYS 21 N 0.31 1.04 -0.12 0.04 1.57 -1.05 -2.44 116.57 115.93 3hds h LYS 21 Ca 0.20 -0.17 -0.11 0.00 -1.87 0.00 0.00 60.65 58.70 3hds h LYS 21 Cb 0.20 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3hds h LYS 21 CO -0.22 0.84 -0.42 0.93 -0.57 0.00 0.00 179.45 180.01 3hds h GLU 22 N 1.00 0.26 -0.36 3.15 4.39 -0.43 -1.12 114.58 121.47 3hds h GLU 22 Ca 0.24 -0.13 0.03 0.00 0.34 0.00 0.00 59.36 59.84 3hds h GLU 22 Cb 0.16 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 3hds h GLU 22 CO -0.03 0.65 0.16 0.00 -1.16 0.00 0.00 179.01 178.63 3hds h VAL 24 N 0.33 1.10 -0.75 0.00 2.07 -1.13 -1.28 116.25 116.58 3hds h VAL 24 Ca 0.16 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.52 3hds h VAL 24 Cb 0.10 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 3hds h VAL 24 CO -0.13 0.10 0.47 0.58 0.02 0.00 0.00 177.57 178.61 3hds h VAL 25 N 0.55 1.12 -0.76 2.57 2.07 -0.98 -0.32 116.25 120.50 3hds h VAL 25 Ca 0.15 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 3hds h VAL 25 Cb -0.06 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 29.78 3hds h VAL 25 CO -0.04 0.17 0.27 -0.74 0.02 0.00 0.00 177.57 177.25 3hds h HIS 26 N 0.93 1.18 -0.48 1.57 2.76 -0.54 0.14 115.15 120.71 3hds h HIS 26 Ca 0.30 -0.10 -0.03 0.00 -2.20 0.00 0.00 60.37 58.33 3hds h HIS 26 Cb 0.00 -0.35 -0.02 0.00 1.55 0.00 0.00 27.41 28.59 3hds h HIS 26 CO -0.03 0.91 0.18 0.35 -1.30 0.00 0.00 177.93 178.04 3hds h PHE 27 N 1.11 0.75 -0.98 5.26 3.57 -0.67 -2.59 116.94 123.40 3hds h PHE 27 Ca 0.25 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.69 3hds h PHE 27 Cb 0.26 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 38.73 3hds h PHE 27 CO 0.02 0.64 0.63 1.96 -2.23 0.00 0.00 178.31 179.34 3hds h GLN 28 N 0.64 1.30 0.00 1.11 4.20 -0.28 -1.69 115.11 120.38 3hds h GLN 28 Ca 0.16 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 3hds h GLN 28 Cb 0.23 -0.29 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 3hds h GLN 28 CO -0.01 0.88 -0.08 0.52 -0.67 0.00 0.00 178.83 179.47 3hds h MET 29 N 1.33 0.00 0.00 1.46 2.86 -0.58 -2.67 114.93 117.34 3hds h MET 29 Ca 0.36 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.00 3hds h MET 29 Cb -0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.54 3hds h MET 29 CO -0.07 0.08 0.00 0.66 1.06 0.00 0.00 176.91 178.63 3hds h SER 30 N 0.00 0.00 -2.62 1.22 4.64 -0.91 -3.43 113.55 112.46 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 0.33 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.46 3hds h SER 30 CO 0.01 0.00 1.05 0.00 -0.87 0.00 0.00 176.83 177.02 3hds s ALA 31 N -3.49 3.78 -0.16 5.18 0.00 -1.01 -1.67 121.76 124.39 3hds s ALA 31 Ca 0.03 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.41 3hds s ALA 31 Cb 0.09 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.49 3hds s ALA 31 CO 0.51 -1.10 0.00 0.41 0.00 0.00 0.00 175.76 175.58 3hds n GLY 32 N 4.09 0.40 3.68 0.00 0.00 -1.26 -4.98 105.19 107.12 3hds n GLY 32 Ca 0.17 -0.09 -0.44 0.00 0.00 0.00 0.00 46.02 45.66 3hds n GLY 32 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3hds n MET 33 N -1.36 2.58 -1.81 1.61 0.00 -0.67 -4.87 117.12 112.61 3hds n MET 33 Ca -0.01 0.94 -0.42 0.00 0.00 0.00 0.00 57.70 58.21 3hds n MET 33 Cb 0.25 -2.83 -0.02 0.00 0.00 0.00 0.00 33.22 30.62 3hds n MET 33 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 3hds s PRO 34 N 3.28 4.15 0.00 2.12 0.02 -1.26 -2.18 135.00 141.13 3hds s PRO 34 Ca 0.86 2.53 0.00 0.00 0.02 0.00 0.00 61.00 64.41 3hds s PRO 34 Cb -0.55 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 30.91 3hds s PRO 34 CO 0.42 -0.64 0.00 0.41 -0.33 0.00 0.00 177.00 176.86 3hds n GLY 35 N 2.84 2.46 3.65 0.52 0.00 -1.26 -3.63 105.19 109.77 3hds n GLY 35 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.93 -4.47 118.68 121.37 3hds s LEU 36 Ca 0.00 0.75 -0.10 0.00 -0.22 0.00 0.00 54.13 54.57 3hds s LEU 36 Cb 0.00 -2.83 -0.31 0.00 0.50 0.00 0.00 46.19 43.54 3hds s LEU 36 CO 0.00 -0.28 0.93 -0.74 -1.32 0.00 0.00 176.35 174.94 3hds h HIS 37 N 7.60 0.72 -2.15 5.38 -0.00 -1.18 -3.45 115.15 122.07 3hds h HIS 37 Ca -0.31 -0.52 -0.06 0.00 -0.00 0.00 0.00 60.37 59.48 3hds h HIS 37 Cb 1.14 -0.03 -0.20 0.00 -0.00 0.00 0.00 27.41 28.32 3hds h HIS 37 CO 0.72 1.49 0.10 0.21 -0.00 0.00 0.00 177.93 180.45 3hds s LYS 38 N -2.61 0.90 -0.03 5.26 2.20 -1.14 -4.98 119.74 119.34 3hds s LYS 38 Ca -0.09 0.50 0.02 0.00 -0.36 0.00 0.00 55.97 56.04 3hds s LYS 38 Cb 0.06 0.43 0.01 0.00 -1.51 0.00 0.00 37.83 36.81 3hds s LYS 38 CO 0.89 -0.22 -0.09 -0.47 -0.36 0.00 0.00 175.35 175.11 3hds s TYR 39 N -0.55 0.94 0.03 4.03 5.04 -1.26 -1.35 117.35 124.22 3hds s TYR 39 Ca -0.07 -0.24 0.07 0.00 -2.44 0.00 0.00 57.07 54.39 3hds s TYR 39 Cb -0.02 -0.69 -0.02 0.00 0.35 0.00 0.00 41.96 41.58 3hds s TYR 39 CO 0.06 -0.12 -0.21 -1.21 -1.34 0.00 0.00 175.55 172.73 3hds s GLU 40 N 0.29 1.52 -0.01 4.97 2.02 -0.54 -5.00 118.70 121.95 3hds s GLU 40 Ca -0.05 -0.91 0.00 0.00 0.02 0.00 0.00 54.97 54.04 3hds s GLU 40 Cb -0.09 -1.60 0.01 0.00 0.10 0.00 0.00 34.13 32.55 3hds s GLU 40 CO 0.01 0.42 0.00 0.54 0.02 0.00 0.00 175.26 176.25 3hds s VAL 41 N -0.72 0.05 0.03 2.63 0.11 -1.26 -1.28 120.40 119.97 3hds s VAL 41 Ca 0.08 0.06 0.01 0.00 -2.93 0.00 0.00 61.98 59.21 3hds s VAL 41 Cb -0.09 -0.11 -0.02 0.00 -1.53 0.00 0.00 36.38 34.63 3hds s VAL 41 CO 0.01 0.07 -0.06 -0.13 -3.33 0.00 0.00 175.10 171.66 3hds s ARG 42 N 0.51 0.45 0.39 1.54 0.52 -0.16 -4.99 118.95 117.21 3hds s ARG 42 Ca -0.05 -0.69 -0.20 0.00 -0.52 0.00 0.00 55.73 54.28 3hds s ARG 42 Cb -0.07 -0.15 -0.10 0.00 0.52 0.00 0.00 34.95 35.15 3hds s ARG 42 CO -0.01 0.02 0.89 -0.51 0.02 0.00 0.00 175.30 175.70 3hds s LEU 43 N -1.50 4.00 -0.39 2.53 1.43 -1.26 -0.52 118.68 122.96 3hds s LEU 43 Ca -0.12 1.58 -0.29 0.00 -1.03 0.00 0.00 54.13 54.27 3hds s LEU 43 Cb -0.10 -4.37 0.02 0.00 0.03 0.00 0.00 46.19 41.78 3hds s LEU 43 CO -0.00 -0.30 1.10 -0.69 0.23 0.00 0.00 176.35 176.70 3hds s VAL 44 N -2.08 4.37 -0.10 -1.59 1.01 -0.27 -4.82 120.40 116.92 3hds s VAL 44 Ca 0.59 1.50 0.20 0.00 0.00 0.00 0.00 61.98 64.27 3hds s VAL 44 Cb -0.10 -4.50 -0.29 0.00 0.00 0.00 0.00 36.38 31.48 3hds s VAL 44 CO 0.15 -0.72 0.30 0.00 0.00 0.00 0.00 175.10 174.82 3hds n ALA 45 N 7.31 2.24 -3.19 5.51 0.00 -1.26 -4.92 120.51 126.21 3hds n ALA 45 Ca 0.12 -0.85 -0.13 0.00 0.00 0.00 0.00 53.44 52.58 3hds n ALA 45 Cb 0.48 -0.49 -0.09 0.00 0.00 0.00 0.00 19.45 19.34 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 -4.88 -0.10 -0.51 0.00 0.00 -1.26 -5.09 107.32 95.49 3hds s GLY 46 Ca -0.09 0.23 0.07 0.00 0.00 0.00 0.00 44.72 44.93 3hds s GLY 46 CO 0.86 0.06 0.57 0.70 0.00 0.00 0.00 173.10 175.29 3hds n ASN 47 N 1.53 1.57 -4.77 1.64 3.02 -1.26 -5.11 115.26 111.88 3hds n ASN 47 Ca -0.21 -2.96 -0.40 0.00 -0.03 0.00 0.00 54.58 50.98 3hds n ASN 47 Cb 0.56 -0.65 -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 -1.50 4.10 0.00 3.52 0.04 -1.26 -4.91 135.00 134.99 3hds s PRO 48 Ca 0.36 2.35 0.00 0.00 0.04 0.00 0.00 61.00 63.74 3hds s PRO 48 Cb 0.13 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 31.75 3hds s PRO 48 CO -0.09 -0.45 0.41 0.25 0.04 0.00 0.00 177.00 177.16 3hds n THR 49 N 0.41 0.00 -2.23 1.26 -2.24 -1.26 -4.81 114.28 105.41 3hds n THR 49 Ca 0.02 -0.50 -0.42 0.00 -2.27 0.00 0.00 64.05 60.88 3hds n THR 49 Cb 0.41 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.65 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 -0.18 5.90 -4.91 3.42 5.75 -1.26 -4.89 116.55 120.39 3hds n ASP 50 Ca 0.00 -3.11 -0.28 0.00 -0.01 0.00 0.00 54.79 51.39 3hds n ASP 50 Cb 0.00 -1.45 -0.02 0.00 -1.03 0.00 0.00 41.12 38.63 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 -0.01 4.96 -0.24 2.12 -4.23 -1.26 -5.00 115.64 111.98 3hds s THR 51 Ca 0.44 0.10 0.18 0.00 -1.18 0.00 0.00 61.69 61.23 3hds s THR 51 Cb 0.12 -3.80 0.11 0.00 1.34 0.00 0.00 72.50 70.27 3hds s THR 51 CO -0.02 -0.58 1.37 -0.74 -0.54 0.00 0.00 174.62 174.11 3hds h HIS 52 N 0.94 0.00 -2.39 3.99 2.76 -2.02 -3.45 115.15 114.98 3hds h HIS 52 Ca -0.48 0.00 -0.54 0.00 -2.20 0.00 0.00 60.37 57.16 3hds h HIS 52 Cb 1.20 0.00 -0.14 0.00 1.55 0.00 0.00 27.41 30.02 3hds h HIS 52 CO 0.57 0.32 -0.66 0.14 -1.30 0.00 0.00 177.93 177.00 3hds s VAL 53 N -3.07 1.76 0.18 5.26 -7.23 -1.26 -5.11 120.40 110.94 3hds s VAL 53 Ca 0.03 -2.11 -0.33 0.00 -1.81 0.00 0.00 61.98 57.77 3hds s VAL 53 Cb 0.07 -2.61 -0.15 0.00 0.56 0.00 0.00 36.38 34.25 3hds s VAL 53 CO 0.74 -0.20 1.37 -2.65 -0.31 0.00 0.00 175.10 174.05 3hds n PRO 54 N -0.69 1.72 -2.51 4.82 -0.02 -1.26 -4.92 135.00 132.12 3hds n PRO 54 Ca -0.05 0.61 -0.41 0.00 -2.02 0.00 0.00 63.50 61.64 3hds n PRO 54 Cb 0.64 -2.25 -0.04 0.00 -0.02 0.00 0.00 33.50 31.83 3hds n PRO 54 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3hds s TYR 55 N 0.19 3.60 -0.30 6.00 5.04 -1.26 -5.03 117.35 125.59 3hds s TYR 55 Ca 0.74 1.63 -0.09 0.00 -2.44 0.00 0.00 57.07 56.91 3hds s TYR 55 Cb -0.75 -3.27 -0.00 0.00 0.35 0.00 0.00 41.96 38.29 3hds s TYR 55 CO 0.47 -0.57 0.12 -1.17 -1.34 0.00 0.00 175.55 173.07 3hds s LEU 56 N -0.58 3.98 -0.30 6.97 2.96 -1.26 -5.07 118.68 125.37 3hds s LEU 56 Ca 0.48 -0.56 -0.22 0.00 -0.22 0.00 0.00 54.13 53.61 3hds s LEU 56 Cb -0.30 -1.96 -0.00 0.00 0.50 0.00 0.00 46.19 44.43 3hds s LEU 56 CO 0.36 -0.18 0.73 -0.62 -1.32 0.00 0.00 176.35 175.32 3hds s ASP 57 N 1.58 6.62 -0.07 3.68 -1.08 -1.26 -4.91 116.67 121.23 3hds s ASP 57 Ca 0.04 0.61 0.12 0.00 -0.52 0.00 0.00 52.55 52.81 3hds s ASP 57 Cb -0.17 -2.38 0.36 0.00 -1.46 0.00 0.00 42.92 39.27 3hds s ASP 57 CO 0.05 -0.56 1.29 1.33 0.52 0.00 0.00 175.17 177.80 3hds n VAL 58 N 5.46 1.48 -4.16 1.11 0.24 -1.26 -5.11 118.33 116.10 3hds n VAL 58 Ca 0.02 -1.36 0.00 0.00 -2.04 0.00 0.00 64.34 60.96 3hds n VAL 58 Cb 0.48 0.21 0.00 0.00 -1.47 0.00 0.00 33.84 33.06 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 -0.00 -1.57 3.63 7.63 0.00 -1.26 -4.81 105.19 108.81 3hds n GLY 59 Ca 0.14 -1.31 -0.39 0.00 0.00 0.00 0.00 46.02 44.46 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 4.10 -0.12 1.61 3.52 -1.26 -5.05 118.95 121.75 3hds s ARG 60 Ca 0.00 0.28 -0.02 0.00 -0.13 0.00 0.00 55.73 55.87 3hds s ARG 60 Cb 0.00 -3.62 -0.03 0.00 -1.56 0.00 0.00 34.95 29.75 3hds s ARG 60 CO 0.00 -0.26 -0.06 0.42 -0.81 0.00 0.00 175.30 174.59 3hds s ILE 61 N 2.01 3.69 -0.16 4.11 -1.09 -1.26 -4.83 121.20 123.66 3hds s ILE 61 Ca 0.21 -0.45 0.13 0.00 -2.23 0.00 0.00 60.65 58.31 3hds s ILE 61 Cb -0.15 -2.57 -0.24 0.00 -1.58 0.00 0.00 42.46 37.92 3hds s ILE 61 CO 0.09 0.54 0.22 0.47 -1.23 0.00 0.00 174.94 175.03 3hds n ASP 62 N 3.07 0.57 -3.84 3.58 8.00 -0.32 -4.64 116.55 122.98 3hds n ASP 62 Ca -0.18 0.11 -0.10 0.00 0.71 0.00 0.00 54.79 55.34 3hds n ASP 62 Cb 0.53 0.45 -0.05 0.00 -0.02 0.00 0.00 41.12 42.02 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 -2.53 -0.48 -0.09 2.24 0.00 -0.65 -1.11 121.76 119.13 3hds s ALA 63 Ca -0.12 -0.52 0.04 0.00 0.00 0.00 0.00 51.96 51.36 3hds s ALA 63 Cb 0.07 0.82 -0.00 0.00 0.00 0.00 0.00 23.12 24.01 3hds s ALA 63 CO 0.80 -0.71 -0.24 0.42 0.00 0.00 0.00 175.76 176.03 3hds s ILE 64 N -3.91 2.06 0.18 0.00 -1.09 0.32 -0.68 121.20 118.07 3hds s ILE 64 Ca 0.12 -1.03 0.10 0.00 -2.23 0.00 0.00 60.65 57.62 3hds s ILE 64 Cb 0.01 -1.77 -0.04 0.00 -1.58 0.00 0.00 42.46 39.08 3hds s ILE 64 CO -0.03 0.56 -0.22 -0.83 -1.23 0.00 0.00 174.94 173.19 3hds s GLY 65 N 0.24 1.60 -0.18 6.18 0.00 -0.18 -0.99 107.32 113.99 3hds s GLY 65 Ca -0.16 -1.58 -0.12 0.00 0.00 0.00 0.00 44.72 42.86 3hds s GLY 65 CO 0.08 -1.62 0.44 1.85 0.00 0.00 0.00 173.10 173.86 3hds s GLU 66 N -2.68 0.47 -0.04 2.90 2.12 -0.40 0.07 118.70 121.14 3hds s GLU 66 Ca 0.19 0.75 0.06 0.00 0.36 0.00 0.00 54.97 56.33 3hds s GLU 66 Cb -0.07 0.10 -0.02 0.00 0.26 0.00 0.00 34.13 34.39 3hds s GLU 66 CO 0.09 -0.12 -0.22 0.00 -0.54 0.00 0.00 175.26 174.46 3hds s TRP 68 N -0.56 2.66 -0.06 0.00 0.51 -0.46 -1.51 118.94 119.52 3hds s TRP 68 Ca 0.08 -0.56 0.04 0.00 -2.12 0.00 0.00 56.10 53.53 3hds s TRP 68 Cb -0.11 -1.70 0.00 0.00 -0.81 0.00 0.00 33.47 30.85 3hds s TRP 68 CO 0.00 -0.12 -0.16 -0.06 -0.51 0.00 0.00 176.95 176.10 3hds s PHE 69 N -0.10 1.75 -0.12 -1.98 0.08 0.23 -0.60 117.98 117.24 3hds s PHE 69 Ca -0.03 -0.59 0.29 0.00 0.12 0.00 0.00 56.93 56.71 3hds s PHE 69 Cb -0.14 -1.21 0.91 0.00 -0.57 0.00 0.00 43.02 42.01 3hds s PHE 69 CO 0.04 -0.24 1.82 0.00 -0.10 0.00 0.00 175.22 176.73 3hds h ALA 70 N 6.57 1.00 -2.60 5.36 0.00 -1.86 -1.71 119.26 126.02 3hds h ALA 70 Ca -0.30 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 54.71 3hds h ALA 70 Cb 1.19 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.89 3hds h ALA 70 CO 0.48 0.02 0.38 -1.54 0.00 0.00 0.00 179.25 178.59 3hds s SER 71 N -5.94 -0.28 0.22 0.00 1.04 -1.26 -4.79 113.70 102.69 3hds s SER 71 Ca 0.04 -0.34 -0.08 0.00 0.48 0.00 0.00 55.95 56.04 3hds s SER 71 Cb 0.07 0.55 0.26 0.00 0.10 0.00 0.00 66.02 67.01 3hds s SER 71 CO 0.60 -0.99 1.84 -0.33 0.98 0.00 0.00 173.24 175.34 3hds h GLU 72 N 2.00 0.82 -0.85 4.02 5.08 -1.99 -1.30 114.58 122.36 3hds h GLU 72 Ca -0.24 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 3hds h GLU 72 Cb 1.25 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 30.27 3hds h GLU 72 CO 0.27 0.54 0.44 0.93 -1.00 0.00 0.00 179.01 180.20 3hds h GLU 73 N 0.84 1.20 -0.15 2.33 3.07 -1.99 -1.08 114.58 118.80 3hds h GLU 73 Ca 0.32 -0.15 -0.17 0.00 -0.50 0.00 0.00 59.36 58.86 3hds h GLU 73 Cb 0.13 -0.23 -0.00 0.00 -0.84 0.00 0.00 28.75 27.81 3hds h GLU 73 CO -0.16 0.89 -0.62 1.96 -1.40 0.00 0.00 179.01 179.68 3hds h GLN 74 N 1.20 0.55 -0.93 2.33 1.08 -1.77 -1.52 115.11 116.04 3hds h GLN 74 Ca 0.30 -0.38 0.02 0.00 -1.45 0.00 0.00 58.65 57.13 3hds h GLN 74 Cb 0.06 0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.50 3hds h GLN 74 CO -0.04 1.00 0.61 -0.92 -0.95 0.00 0.00 178.83 178.53 3hds h TYR 75 N 0.40 1.16 -0.44 2.96 3.20 -0.87 -1.40 116.97 121.99 3hds h TYR 75 Ca -0.01 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 3hds h TYR 75 Cb 1.19 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 39.05 3hds h TYR 75 CO 0.05 0.71 0.22 0.37 -1.64 0.00 0.00 178.16 177.87 3hds h GLN 76 N 1.24 0.63 -0.57 1.82 5.75 -0.77 -0.95 115.11 122.26 3hds h GLN 76 Ca 0.35 -0.09 0.07 0.00 -0.15 0.00 0.00 58.65 58.84 3hds h GLN 76 Cb -0.10 -0.11 -0.06 0.00 1.07 0.00 0.00 27.48 28.28 3hds h GLN 76 CO -0.09 0.53 0.23 0.28 -2.65 0.00 0.00 178.83 177.14 3hds h VAL 77 N 0.57 0.84 -0.14 2.39 2.07 -0.87 -0.74 116.25 120.37 3hds h VAL 77 Ca 0.15 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 3hds h VAL 77 Cb 0.11 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 3hds h VAL 77 CO -0.02 0.08 0.07 0.22 0.02 0.00 0.00 177.57 177.94 3hds h TYR 78 N 0.44 0.19 0.00 1.57 3.20 -0.90 -2.19 116.97 119.28 3hds h TYR 78 Ca 0.27 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.11 3hds h TYR 78 Cb 0.28 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 3hds h TYR 78 CO -0.14 0.22 -0.13 0.52 -1.64 0.00 0.00 178.16 176.98 3hds h MET 79 N 0.11 0.00 -0.00 1.82 2.86 -0.72 -2.02 114.93 116.97 3hds h MET 79 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3hds h MET 79 Cb 0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.76 3hds h MET 79 CO -0.01 0.13 -0.41 0.39 1.06 0.00 0.00 176.91 178.07 3hds n GLU 80 N -3.57 0.40 -2.69 1.72 1.02 -0.32 -4.95 120.64 112.25 3hds n GLU 80 Ca -0.01 -0.24 -0.42 0.00 -0.02 0.00 0.00 57.16 56.47 3hds n GLU 80 Cb 0.27 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.16 3hds n GLU 80 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3hds s SER 81 N -2.77 7.39 0.32 1.62 0.15 -0.76 -4.95 113.70 114.70 3hds s SER 81 Ca 0.17 1.76 0.09 0.00 0.70 0.00 0.00 55.95 58.67 3hds s SER 81 Cb 0.18 -2.58 0.54 0.00 -1.71 0.00 0.00 66.02 62.46 3hds s SER 81 CO 0.62 -0.20 1.74 0.44 1.20 0.00 0.00 173.24 177.04 3hds h ASP 82 N 6.26 0.15 -0.86 5.45 3.32 -1.91 -2.87 116.42 125.96 3hds h ASP 82 Ca -0.42 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3hds h ASP 82 Cb 1.22 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.68 3hds h ASP 82 CO 0.74 0.54 0.55 0.40 -1.72 0.00 0.00 179.24 179.75 3hds h ILE 83 N 0.12 1.23 -0.80 0.35 2.04 -1.94 -2.34 117.51 116.17 3hds h ILE 83 Ca 0.01 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 3hds h ILE 83 Cb 0.77 -0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 3hds h ILE 83 CO 0.06 0.23 0.41 -0.09 0.00 0.00 0.00 178.15 178.75 3hds h ARG 84 N 1.17 1.13 -0.56 2.37 2.43 -1.78 -2.47 114.38 116.66 3hds h ARG 84 Ca 0.31 -0.15 -0.07 0.00 -0.81 0.00 0.00 59.98 59.27 3hds h ARG 84 Cb -0.10 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.21 3hds h ARG 84 CO -0.06 0.85 0.08 0.87 -1.51 0.00 0.00 179.97 180.20 3hds h LYS 85 N 1.13 0.90 -0.67 0.20 1.57 -1.23 -0.06 116.57 118.41 3hds h LYS 85 Ca 0.28 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 3hds h LYS 85 Cb 0.08 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 3hds h LYS 85 CO -0.04 0.84 0.28 0.00 -0.57 0.00 0.00 179.45 179.96 3hds h ALA 86 N 1.24 1.23 -0.42 3.86 0.00 -1.31 -1.13 119.26 122.72 3hds h ALA 86 Ca 0.17 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3hds h ALA 86 Cb 0.39 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3hds h ALA 86 CO 0.01 0.57 0.11 2.35 0.00 0.00 0.00 179.25 182.29 3hds h TRP 87 N 0.96 0.70 -0.44 0.00 7.01 -0.89 -2.48 115.95 120.82 3hds h TRP 87 Ca 0.23 -0.08 -0.03 0.00 2.11 0.00 0.00 58.89 61.12 3hds h TRP 87 Cb 0.16 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.00 3hds h TRP 87 CO 0.01 0.65 0.16 0.74 -2.79 0.00 0.00 178.44 177.21 3hds h PHE 88 N 0.54 0.62 -0.45 2.65 -1.00 -0.76 -0.71 116.94 117.83 3hds h PHE 88 Ca 0.13 -0.03 0.04 0.00 2.81 0.00 0.00 57.97 60.92 3hds h PHE 88 Cb 0.30 -0.19 -0.04 0.00 3.61 0.00 0.00 35.95 39.63 3hds h PHE 88 CO 0.02 0.50 0.22 0.93 -1.61 0.00 0.00 178.31 178.37 3hds h GLU 89 N 0.62 0.43 -0.75 1.51 4.39 -0.95 -0.95 114.58 118.88 3hds h GLU 89 Ca 0.15 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.84 3hds h GLU 89 Cb 0.15 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.67 3hds h GLU 89 CO -0.01 0.28 0.50 1.25 -1.16 0.00 0.00 179.01 179.87 3hds h HIS 90 N 0.44 0.94 -0.94 4.33 2.76 -0.94 -2.55 115.15 119.19 3hds h HIS 90 Ca 0.19 0.02 0.12 0.00 -2.20 0.00 0.00 60.37 58.51 3hds h HIS 90 Cb 0.10 -0.32 -0.07 0.00 1.55 0.00 0.00 27.41 28.67 3hds h HIS 90 CO -0.10 0.58 0.60 0.78 -1.30 0.00 0.00 177.93 178.48 3hds h GLY 91 N 1.00 1.40 1.76 5.26 0.00 -0.43 -1.85 103.07 110.22 3hds h GLY 91 Ca 0.28 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 3hds h GLY 91 CO -0.07 0.15 0.07 0.50 0.00 0.00 0.00 176.54 177.19 3hds h LYS 92 N 0.87 0.32 -0.26 4.80 1.57 -0.77 -0.23 116.57 122.86 3hds h LYS 92 Ca 0.46 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 59.12 3hds h LYS 92 Cb 0.53 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 3hds h LYS 92 CO -0.22 0.28 -0.15 -0.92 -0.57 0.00 0.00 179.45 177.87 3hds h TYR 93 N 0.32 0.65 -0.01 -1.35 3.20 -1.22 -3.39 116.97 115.16 3hds h TYR 93 Ca 0.08 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.78 3hds h TYR 93 Cb 0.10 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.23 3hds h TYR 93 CO 0.00 0.83 -0.04 1.97 -1.64 0.00 0.00 178.16 179.28 3hds n PHE 94 N -4.44 0.00 -3.91 -3.82 1.16 -1.03 -4.88 117.46 100.54 3hds n PHE 94 Ca -0.04 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.19 3hds n PHE 94 Cb 0.37 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.10 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 -1.11 3.11 0.03 1.97 1.01 -0.13 -4.16 121.20 121.93 3hds s ILE 95 Ca 0.14 -1.03 -0.18 0.00 0.00 0.00 0.00 60.65 59.57 3hds s ILE 95 Cb 0.10 -2.63 -0.20 0.00 0.01 0.00 0.00 42.46 39.75 3hds s ILE 95 CO 0.18 0.11 1.19 1.23 0.00 0.00 0.00 174.94 177.65 3hds h GLY 96 N 8.05 0.55 -4.67 6.18 0.00 -0.93 -3.45 103.07 108.81 3hds h GLY 96 Ca -0.30 -0.82 -0.13 0.00 0.00 0.00 0.00 47.33 46.08 3hds h GLY 96 CO 0.57 0.73 -0.36 1.20 0.00 0.00 0.00 176.54 178.68 3hds s GLN 97 N -3.54 0.57 -0.04 4.80 -0.21 -1.03 -4.92 119.66 115.29 3hds s GLN 97 Ca -0.13 -0.22 -0.02 0.00 0.02 0.00 0.00 55.36 55.02 3hds s GLN 97 Cb 0.05 0.25 0.02 0.00 1.00 0.00 0.00 33.01 34.33 3hds s GLN 97 CO 0.83 -0.15 0.08 -1.17 -2.12 0.00 0.00 175.29 172.76 3hds s LEU 98 N -1.22 1.26 -0.24 2.90 2.96 -1.26 -1.08 118.68 122.00 3hds s LEU 98 Ca -0.13 0.15 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 3hds s LEU 98 Cb -0.06 0.18 0.04 0.00 0.50 0.00 0.00 46.19 46.85 3hds s LEU 98 CO 0.03 -0.09 -0.11 -0.75 -1.32 0.00 0.00 176.35 174.11 3hds s LYS 99 N 0.66 2.67 0.07 1.98 2.47 -0.51 -4.97 119.74 122.11 3hds s LYS 99 Ca -0.05 -1.07 -0.12 0.00 -1.56 0.00 0.00 55.97 53.17 3hds s LYS 99 Cb -0.07 -2.87 -0.06 0.00 -1.46 0.00 0.00 37.83 33.37 3hds s LYS 99 CO -0.03 -0.42 0.44 -2.14 0.16 0.00 0.00 175.35 173.37 3hds s PRO 100 N 1.24 3.86 -0.12 4.03 0.02 -1.26 -0.87 135.00 141.90 3hds s PRO 100 Ca -0.02 0.32 0.01 0.00 0.02 0.00 0.00 61.00 61.33 3hds s PRO 100 Cb -0.17 -3.05 0.02 0.00 0.02 0.00 0.00 34.50 31.32 3hds s PRO 100 CO -0.07 0.58 -0.14 -0.06 -0.33 0.00 0.00 177.00 176.99 3hds s PHE 101 N -1.32 1.95 -0.23 6.54 0.08 0.45 -4.98 117.98 120.46 3hds s PHE 101 Ca 0.31 -0.98 -0.20 0.00 0.12 0.00 0.00 56.93 56.18 3hds s PHE 101 Cb -0.15 -1.44 -0.02 0.00 -0.57 0.00 0.00 43.02 40.84 3hds s PHE 101 CO 0.17 -0.53 0.62 0.08 -0.10 0.00 0.00 175.22 175.46 3hds s VAL 102 N 1.22 5.01 0.35 -0.44 1.01 -1.26 -0.90 120.40 125.38 3hds s VAL 102 Ca -0.02 1.13 0.07 0.00 0.00 0.00 0.00 61.98 63.16 3hds s VAL 102 Cb -0.14 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 3hds s VAL 102 CO -0.05 0.07 0.48 0.42 0.00 0.00 0.00 175.10 176.02 3hds s THR 103 N 2.23 3.83 0.01 3.92 -4.23 -0.93 -5.02 115.64 115.44 3hds s THR 103 Ca 0.27 -1.01 -0.00 0.00 -1.18 0.00 0.00 61.69 59.77 3hds s THR 103 Cb -0.16 -3.32 -0.01 0.00 1.34 0.00 0.00 72.50 70.36 3hds s THR 103 CO 0.09 -0.12 -0.01 -1.83 -0.54 0.00 0.00 174.62 172.21 3hds s GLU 104 N -4.20 0.13 0.64 3.99 -1.05 -1.26 -4.62 118.70 112.33 3hds s GLU 104 Ca 0.47 -0.23 -0.15 0.00 -0.15 0.00 0.00 54.97 54.90 3hds s GLU 104 Cb -0.09 0.05 -0.01 0.00 -0.44 0.00 0.00 34.13 33.63 3hds s GLU 104 CO 0.31 -0.02 1.11 -1.83 0.95 0.00 0.00 175.26 175.78 3hds s GLU 105 N -0.57 2.89 0.47 -4.83 1.03 -1.26 -5.07 118.70 111.36 3hds s GLU 105 Ca -0.06 1.39 0.04 0.00 0.03 0.00 0.00 54.97 56.36 3hds s GLU 105 Cb -0.04 -1.96 -0.04 0.00 -0.80 0.00 0.00 34.13 31.29 3hds s GLU 105 CO -0.00 -1.18 0.02 -0.48 -1.33 0.00 0.00 175.26 172.29 3hds s LEU 106 N -4.76 2.54 0.00 1.83 2.34 -1.26 -5.20 118.68 114.18 3hds s LEU 106 Ca 0.67 -1.52 0.00 0.00 0.06 0.00 0.00 54.13 53.34 3hds s LEU 106 Cb -0.20 -0.83 0.00 0.00 -0.56 0.00 0.00 46.19 44.60 3hds s LEU 106 CO 0.40 -0.70 0.00 0.52 -1.06 0.00 0.00 176.35 175.51