#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fhs n ILE 2 N 0.00 3.34 -2.13 -0.61 -0.00 -1.26 -4.80 119.36 113.91 1fhs n ILE 2 Ca 0.00 -3.01 -0.43 0.00 -0.00 0.00 0.00 62.75 59.31 1fhs n ILE 2 Cb 0.00 -1.35 -0.03 0.00 -0.00 0.00 0.00 39.64 38.26 1fhs n ILE 2 CO 0.00 0.00 0.00 -1.61 -0.00 0.00 0.00 176.55 174.94 1fhs s GLU 3 N -2.80 4.08 -0.28 0.38 0.41 -1.26 -4.96 118.70 114.27 1fhs s GLU 3 Ca 0.52 1.92 -0.06 0.00 -0.41 0.00 0.00 54.97 56.94 1fhs s GLU 3 Cb 0.40 -3.95 0.00 0.00 -1.78 0.00 0.00 34.13 28.80 1fhs s GLU 3 CO -0.18 -0.94 0.06 1.41 -0.49 0.00 0.00 175.26 175.11 1fhs s MET 4 N 4.10 3.21 0.46 1.61 -2.45 -1.26 -4.93 119.30 120.04 1fhs s MET 4 Ca 0.69 -0.77 0.00 0.00 -1.25 0.00 0.00 55.69 54.36 1fhs s MET 4 Cb -0.28 -3.30 0.00 0.00 1.25 0.00 0.00 34.83 32.50 1fhs s MET 4 CO 0.26 -0.37 0.00 1.17 1.05 0.00 0.00 175.02 177.13 1fhs n LYS 5 N 4.86 -5.07 0.00 4.11 4.81 -1.26 -5.00 118.16 120.61 1fhs n LYS 5 Ca -0.15 3.71 0.00 0.00 -0.87 0.00 0.00 58.31 61.00 1fhs n LYS 5 Cb 0.49 -4.12 0.00 0.00 0.02 0.00 0.00 35.03 31.42 1fhs n LYS 5 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1fhs n PRO 6 N -0.08 0.00 -3.64 1.64 -0.04 -1.26 -5.09 135.00 126.53 1fhs n PRO 6 Ca 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.39 1fhs n PRO 6 Cb 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.39 1fhs n PRO 6 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1fhs s HIS 7 N 0.00 -0.55 0.00 0.54 -3.43 -1.26 -5.15 115.29 105.44 1fhs s HIS 7 Ca 0.00 1.24 0.00 0.00 -0.80 0.00 0.00 55.06 55.50 1fhs s HIS 7 Cb 0.00 0.37 0.00 0.00 -1.43 0.00 0.00 32.58 31.52 1fhs s HIS 7 CO 0.00 -0.27 0.00 -0.35 -2.00 0.00 0.00 174.74 172.12 1fhs n PRO 8 N 2.76 0.00 0.00 -0.38 -0.04 -1.26 -5.01 135.00 131.07 1fhs n PRO 8 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1fhs n PRO 8 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 1fhs n PRO 8 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1fhs n TRP 9 N 0.00 0.00 -2.02 0.54 8.01 -1.26 -5.02 117.44 117.69 1fhs n TRP 9 Ca 0.00 0.00 -0.43 0.00 -1.31 0.00 0.00 57.50 55.76 1fhs n TRP 9 Cb 0.00 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.27 1fhs n TRP 9 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.69 176.62 1fhs s PHE 10 N -1.68 1.96 -0.40 -5.99 0.08 -1.24 -2.03 117.98 108.68 1fhs s PHE 10 Ca 0.00 0.36 0.03 0.00 0.12 0.00 0.00 56.93 57.44 1fhs s PHE 10 Cb 0.00 -3.96 0.11 0.00 -0.57 0.00 0.00 43.02 38.61 1fhs s PHE 10 CO 0.00 -3.49 0.15 -0.06 -0.10 0.00 0.00 175.22 171.72 1fhs s PHE 11 N 4.87 2.91 0.17 0.36 0.08 0.58 -4.96 117.98 121.99 1fhs s PHE 11 Ca 0.75 -2.71 -0.14 0.00 0.12 0.00 0.00 56.93 54.94 1fhs s PHE 11 Cb -0.30 -2.49 0.02 0.00 -0.57 0.00 0.00 43.02 39.68 1fhs s PHE 11 CO 0.30 -0.85 0.42 0.20 -0.10 0.00 0.00 175.22 175.18 1fhs s GLY 12 N 0.62 0.05 -0.47 4.36 0.00 -1.26 -2.94 107.32 107.67 1fhs s GLY 12 Ca 0.14 -0.40 -0.23 0.00 0.00 0.00 0.00 44.72 44.23 1fhs s GLY 12 CO -0.08 -0.46 0.79 -1.59 0.00 0.00 0.00 173.10 171.77 1fhs s LYS 13 N -3.89 3.37 -0.19 2.90 0.00 -1.23 -4.87 119.74 115.82 1fhs s LYS 13 Ca 0.10 -0.20 -0.22 0.00 0.00 0.00 0.00 55.97 55.65 1fhs s LYS 13 Cb 0.01 -3.97 -0.02 0.00 0.00 0.00 0.00 37.83 33.85 1fhs s LYS 13 CO -0.04 -1.18 0.69 -1.50 0.00 0.00 0.00 175.35 173.32 1fhs s ILE 14 N 3.33 4.97 -0.15 3.79 1.10 -1.23 -4.95 121.20 128.06 1fhs s ILE 14 Ca 0.29 1.32 -0.38 0.00 -0.51 0.00 0.00 60.65 61.37 1fhs s ILE 14 Cb -0.13 -4.00 -0.15 0.00 0.15 0.00 0.00 42.46 38.33 1fhs s ILE 14 CO 0.21 0.08 1.69 -2.65 -2.11 0.00 0.00 174.94 172.16 1fhs n PRO 15 N 5.16 1.42 -0.30 3.50 -0.02 -1.26 -4.64 135.00 138.86 1fhs n PRO 15 Ca 0.01 0.52 0.30 0.00 -2.02 0.00 0.00 63.50 62.30 1fhs n PRO 15 Cb 0.49 -2.23 0.55 0.00 -0.02 0.00 0.00 33.50 32.29 1fhs n PRO 15 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1fhs n ARG 16 N 5.04 -0.06 0.00 -0.52 0.63 -1.26 0.15 116.66 120.64 1fhs n ARG 16 Ca 0.24 1.30 0.00 0.00 -0.92 0.00 0.00 57.85 58.47 1fhs n ARG 16 Cb 0.18 -2.33 0.00 0.00 0.45 0.00 0.00 32.46 30.76 1fhs n ARG 16 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1fhs n ALA 17 N -2.33 -0.41 -0.28 5.13 0.00 -1.26 -1.21 120.51 120.16 1fhs n ALA 17 Ca 0.35 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.87 1fhs n ALA 17 Cb 1.20 0.05 0.16 0.00 0.00 0.00 0.00 19.45 20.87 1fhs n ALA 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1fhs n LYS 18 N -1.97 -0.07 0.02 0.00 3.00 0.40 0.12 118.16 119.67 1fhs n LYS 18 Ca 0.00 1.22 -0.01 0.00 -0.00 0.00 0.00 58.31 59.52 1fhs n LYS 18 Cb 0.00 -1.87 -0.01 0.00 0.00 0.00 0.00 35.03 33.15 1fhs n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1fhs h ALA 19 N 1.59 -0.83 -0.35 3.14 0.00 -0.35 0.14 119.26 122.60 1fhs h ALA 19 Ca 0.42 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.42 1fhs h ALA 19 Cb 0.76 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1fhs h ALA 19 CO -0.79 -0.83 0.59 0.93 0.00 0.00 0.00 179.25 179.15 1fhs h GLU 20 N -0.08 0.00 0.00 0.00 5.08 0.11 0.12 114.58 119.81 1fhs h GLU 20 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1fhs h GLU 20 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1fhs h GLU 20 CO 0.00 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.40 1fhs n GLU 21 N -3.28 0.00 -0.32 2.33 -0.58 0.32 -2.02 120.64 117.09 1fhs n GLU 21 Ca 0.06 0.00 0.17 0.00 -0.42 0.00 0.00 57.16 56.97 1fhs n GLU 21 Cb 0.73 -0.39 0.36 0.00 -0.57 0.00 0.00 31.44 31.58 1fhs n GLU 21 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1fhs h MET 22 N 0.00 0.39 -0.36 3.49 -0.00 -0.73 1.26 114.93 118.98 1fhs h MET 22 Ca 0.00 -0.02 -0.04 0.00 -0.00 0.00 0.00 59.70 59.63 1fhs h MET 22 Cb 0.00 -0.09 -0.02 0.00 -0.00 0.00 0.00 31.60 31.49 1fhs h MET 22 CO 0.00 0.26 0.04 1.25 -0.00 0.00 0.00 176.91 178.46 1fhs h LEU 23 N 0.40 0.50 -0.84 -0.10 5.85 -0.89 -0.59 115.31 119.64 1fhs h LEU 23 Ca 0.62 -0.08 -0.12 0.00 0.84 0.00 0.00 57.88 59.14 1fhs h LEU 23 Cb 1.24 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 1fhs h LEU 23 CO -0.55 0.54 -0.41 0.77 -0.34 0.00 0.00 178.44 178.44 1fhs h SER 24 N 0.52 0.37 0.00 1.25 4.64 0.20 -2.87 113.55 117.67 1fhs h SER 24 Ca 0.12 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1fhs h SER 24 Cb 0.27 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1fhs h SER 24 CO 0.00 0.75 0.00 0.29 -0.87 0.00 0.00 176.83 177.00 1fhs n LYS 25 N -4.02 0.62 -3.94 4.77 5.02 0.43 -4.77 118.16 116.27 1fhs n LYS 25 Ca -0.02 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.97 1fhs n LYS 25 Cb 0.50 -1.19 -0.04 0.00 -0.02 0.00 0.00 35.03 34.27 1fhs n LYS 25 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1fhs s GLN 26 N 0.54 3.36 0.00 1.97 -1.52 -1.08 -4.95 119.66 117.98 1fhs s GLN 26 Ca 0.00 -0.47 0.00 0.00 -1.95 0.00 0.00 55.36 52.94 1fhs s GLN 26 Cb 0.00 -3.00 0.00 0.00 -0.22 0.00 0.00 33.01 29.79 1fhs s GLN 26 CO 0.00 0.60 1.11 -2.13 -0.25 0.00 0.00 175.29 174.63 1fhs n ARG 27 N 0.32 0.68 -3.06 2.91 3.00 -1.26 -4.78 116.66 114.47 1fhs n ARG 27 Ca -0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 57.85 57.79 1fhs n ARG 27 Cb 0.51 -1.16 -0.00 0.00 0.00 0.00 0.00 32.46 31.81 1fhs n ARG 27 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 1fhs n HIS 28 N 1.30 -0.87 -2.44 -0.14 -0.00 -1.26 -4.96 115.22 106.85 1fhs n HIS 28 Ca 0.00 0.43 -0.03 0.00 -0.00 0.00 0.00 57.72 58.12 1fhs n HIS 28 Cb 0.34 -1.62 0.06 0.00 -0.00 0.00 0.00 29.99 28.77 1fhs n HIS 28 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1fhs n ASP 29 N 1.55 -1.07 0.00 0.26 2.03 -1.26 -4.97 116.55 113.08 1fhs n ASP 29 Ca -0.03 -1.87 0.00 0.00 0.52 0.00 0.00 54.79 53.41 1fhs n ASP 29 Cb 0.32 0.47 0.00 0.00 -0.72 0.00 0.00 41.12 41.19 1fhs n ASP 29 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1fhs n GLY 30 N -0.92 0.37 3.58 0.27 0.00 -1.26 -4.34 105.19 102.89 1fhs n GLY 30 Ca -0.16 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.35 1fhs n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fhs n ALA 31 N 1.00 -0.87 -2.43 4.61 0.00 -1.25 -2.92 120.51 118.64 1fhs n ALA 31 Ca 0.00 0.49 -0.08 0.00 0.00 0.00 0.00 53.44 53.84 1fhs n ALA 31 Cb 0.04 -2.05 -0.08 0.00 0.00 0.00 0.00 19.45 17.37 1fhs n ALA 31 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1fhs s PHE 32 N 0.09 0.32 -0.03 0.00 -0.71 -1.10 -2.19 117.98 114.36 1fhs s PHE 32 Ca 0.78 -0.77 -0.08 0.00 -1.04 0.00 0.00 56.93 55.82 1fhs s PHE 32 Cb -0.90 -0.17 0.01 0.00 -1.21 0.00 0.00 43.02 40.76 1fhs s PHE 32 CO 0.50 -0.52 0.19 -0.48 -1.34 0.00 0.00 175.22 173.57 1fhs s LEU 33 N -2.90 1.32 -0.38 -1.99 0.05 -0.95 -3.88 118.68 109.95 1fhs s LEU 33 Ca 0.08 0.07 -0.06 0.00 0.05 0.00 0.00 54.13 54.28 1fhs s LEU 33 Cb 0.06 0.77 0.08 0.00 -2.05 0.00 0.00 46.19 45.05 1fhs s LEU 33 CO -0.09 -0.27 0.18 -0.63 -0.55 0.00 0.00 176.35 174.99 1fhs s ILE 34 N -0.80 3.69 0.25 1.48 1.01 -0.86 -0.66 121.20 125.31 1fhs s ILE 34 Ca -0.09 -1.53 -0.07 0.00 0.00 0.00 0.00 60.65 58.96 1fhs s ILE 34 Cb -0.05 -3.28 -0.06 0.00 0.01 0.00 0.00 42.46 39.08 1fhs s ILE 34 CO 0.01 -0.44 0.54 0.00 0.00 0.00 0.00 174.94 175.05 1fhs s ARG 35 N 1.31 3.69 -0.14 2.79 1.70 -1.16 -0.31 118.95 126.84 1fhs s ARG 35 Ca 0.02 0.10 -0.01 0.00 -0.47 0.00 0.00 55.73 55.38 1fhs s ARG 35 Cb -0.22 -2.66 -0.01 0.00 -0.57 0.00 0.00 34.95 31.48 1fhs s ARG 35 CO -0.00 0.27 -0.12 -1.21 -1.08 0.00 0.00 175.30 173.17 1fhs s GLU 36 N -3.19 3.41 0.97 3.89 2.02 -1.15 -3.86 118.70 120.79 1fhs s GLU 36 Ca 0.45 -0.67 -0.12 0.00 0.02 0.00 0.00 54.97 54.65 1fhs s GLU 36 Cb -0.11 -2.68 0.19 0.00 0.10 0.00 0.00 34.13 31.64 1fhs s GLU 36 CO 0.26 0.19 0.44 0.45 0.02 0.00 0.00 175.26 176.62 1fhs n SER 37 N 3.61 -3.07 0.00 -0.19 2.88 -1.26 -3.55 113.62 112.04 1fhs n SER 37 Ca -0.18 -0.44 0.00 0.00 -1.33 0.00 0.00 58.87 56.91 1fhs n SER 37 Cb 0.53 -0.73 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 1fhs n SER 37 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1fhs n GLU 38 N -1.67 0.00 -0.10 -1.46 2.13 -1.26 -3.96 120.64 114.33 1fhs n GLU 38 Ca 0.07 0.53 -0.22 0.00 0.66 0.00 0.00 57.16 58.20 1fhs n GLU 38 Cb 0.30 -1.10 -0.12 0.00 0.27 0.00 0.00 31.44 30.80 1fhs n GLU 38 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1fhs h SER 39 N 0.00 0.04 -3.68 4.31 0.87 -2.02 -3.42 113.55 109.64 1fhs h SER 39 Ca 0.00 -0.54 0.00 0.00 -1.23 0.00 0.00 61.79 60.02 1fhs h SER 39 Cb 0.00 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1fhs h SER 39 CO 0.00 1.53 -0.45 0.00 -0.53 0.00 0.00 176.83 177.37 1fhs n ALA 40 N -3.39 -2.55 -1.00 6.23 0.00 -1.25 -5.03 120.51 113.52 1fhs n ALA 40 Ca -0.32 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1fhs n ALA 40 Cb 0.71 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.23 1fhs n ALA 40 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1fhs n PRO 41 N 0.90 0.00 -2.73 0.00 -0.04 -1.26 -4.78 135.00 127.09 1fhs n PRO 41 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 1fhs n PRO 41 Cb 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.45 1fhs n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fhs n GLY 42 N 3.24 5.84 3.40 0.55 0.00 -1.26 -4.98 105.19 111.97 1fhs n GLY 42 Ca 0.00 -2.69 -0.43 0.00 0.00 0.00 0.00 46.02 42.90 1fhs n GLY 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fhs s ASP 43 N -2.56 6.01 -0.07 1.61 1.01 -1.26 -4.97 116.67 116.44 1fhs s ASP 43 Ca 0.45 -1.14 0.01 0.00 0.71 0.00 0.00 52.55 52.58 1fhs s ASP 43 Cb 0.27 -2.13 0.02 0.00 1.01 0.00 0.00 42.92 42.09 1fhs s ASP 43 CO -0.16 -0.52 -0.10 -0.36 0.21 0.00 0.00 175.17 174.24 1fhs s PHE 44 N 1.62 1.37 -0.05 4.23 0.08 -1.26 -4.17 117.98 119.79 1fhs s PHE 44 Ca 0.04 -0.54 0.01 0.00 0.12 0.00 0.00 56.93 56.55 1fhs s PHE 44 Cb -0.21 -1.06 0.02 0.00 -0.57 0.00 0.00 43.02 41.20 1fhs s PHE 44 CO 0.07 -0.32 -0.04 -1.54 -0.10 0.00 0.00 175.22 173.29 1fhs s SER 45 N 0.94 1.17 -0.34 1.36 1.04 -1.25 0.76 113.70 117.39 1fhs s SER 45 Ca -0.10 -0.14 -0.20 0.00 0.48 0.00 0.00 55.95 55.99 1fhs s SER 45 Cb -0.15 -0.49 -0.00 0.00 0.10 0.00 0.00 66.02 65.48 1fhs s SER 45 CO 0.00 -0.08 0.63 -0.22 0.98 0.00 0.00 173.24 174.55 1fhs s LEU 46 N 1.14 4.22 0.00 2.42 0.20 0.40 -2.97 118.68 124.10 1fhs s LEU 46 Ca -0.07 0.22 -0.02 0.00 0.69 0.00 0.00 54.13 54.95 1fhs s LEU 46 Cb -0.14 -2.79 -0.04 0.00 -0.43 0.00 0.00 46.19 42.80 1fhs s LEU 46 CO -0.01 -0.55 0.17 -0.94 -0.29 0.00 0.00 176.35 174.73 1fhs s SER 47 N 1.75 6.28 0.02 3.68 1.04 0.17 -0.01 113.70 126.62 1fhs s SER 47 Ca 0.24 0.31 -0.01 0.00 0.48 0.00 0.00 55.95 56.97 1fhs s SER 47 Cb -0.15 -1.95 -0.02 0.00 0.10 0.00 0.00 66.02 64.01 1fhs s SER 47 CO 0.14 0.25 -0.01 -0.69 0.98 0.00 0.00 173.24 173.91 1fhs s VAL 48 N -1.34 0.10 -0.61 5.02 1.01 -0.84 -2.24 120.40 121.49 1fhs s VAL 48 Ca 0.28 -0.82 -0.27 0.00 0.00 0.00 0.00 61.98 61.17 1fhs s VAL 48 Cb -0.13 -0.26 0.01 0.00 0.00 0.00 0.00 36.38 36.00 1fhs s VAL 48 CO 0.20 -0.45 1.50 -0.75 0.00 0.00 0.00 175.10 175.60 1fhs s LYS 49 N -1.34 3.11 -0.44 2.72 2.47 -0.93 -0.44 119.74 124.90 1fhs s LYS 49 Ca -0.15 0.34 -0.16 0.00 -1.56 0.00 0.00 55.97 54.45 1fhs s LYS 49 Cb -0.09 -4.20 0.04 0.00 -1.46 0.00 0.00 37.83 32.11 1fhs s LYS 49 CO -0.01 -2.18 0.38 0.12 0.16 0.00 0.00 175.35 173.83 1fhs s PHE 50 N 6.72 3.21 0.00 4.03 2.19 0.65 -4.24 117.98 130.55 1fhs s PHE 50 Ca 0.52 -0.63 0.00 0.00 0.33 0.00 0.00 56.93 57.16 1fhs s PHE 50 Cb -0.11 -2.88 0.00 0.00 -1.31 0.00 0.00 43.02 38.72 1fhs s PHE 50 CO 0.22 -0.70 0.00 0.41 1.83 0.00 0.00 175.22 176.97 1fhs n GLY 51 N 5.16 0.35 0.03 13.12 0.00 -1.26 0.30 105.19 122.88 1fhs n GLY 51 Ca -0.10 0.66 -0.01 0.00 0.00 0.00 0.00 46.02 46.57 1fhs n GLY 51 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1fhs n ASN 52 N 5.59 3.04 -2.98 1.61 5.15 -1.26 -4.63 115.26 121.78 1fhs n ASN 52 Ca 0.00 0.00 -0.07 0.00 -0.60 0.00 0.00 54.58 53.91 1fhs n ASN 52 Cb 0.00 0.95 0.02 0.00 -0.53 0.00 0.00 39.78 40.22 1fhs n ASN 52 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1fhs n ASP 53 N -2.11 0.83 -4.33 1.20 2.03 0.15 -4.94 116.55 109.38 1fhs n ASP 53 Ca -0.09 -1.53 -0.35 0.00 0.52 0.00 0.00 54.79 53.34 1fhs n ASP 53 Cb 0.56 -0.12 -0.14 0.00 -0.72 0.00 0.00 41.12 40.70 1fhs n ASP 53 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1fhs s VAL 54 N -0.30 3.45 0.42 5.18 1.01 -1.26 -0.25 120.40 128.64 1fhs s VAL 54 Ca 0.19 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 1fhs s VAL 54 Cb -0.02 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 1fhs s VAL 54 CO 0.12 0.42 0.69 -1.58 0.00 0.00 0.00 175.10 174.75 1fhs s GLN 55 N 1.43 3.54 -0.06 2.72 0.74 0.42 -4.89 119.66 123.56 1fhs s GLN 55 Ca 0.05 0.02 -0.01 0.00 0.05 0.00 0.00 55.36 55.47 1fhs s GLN 55 Cb -0.14 -2.49 0.03 0.00 1.10 0.00 0.00 33.01 31.50 1fhs s GLN 55 CO -0.02 -0.05 0.01 -1.58 -0.55 0.00 0.00 175.29 173.10 1fhs s HIS 56 N -2.53 0.55 -0.17 1.67 5.65 -1.26 -1.99 115.29 117.21 1fhs s HIS 56 Ca 0.45 -0.09 -0.02 0.00 0.25 0.00 0.00 55.06 55.65 1fhs s HIS 56 Cb -0.10 -0.71 -0.01 0.00 -1.18 0.00 0.00 32.58 30.58 1fhs s HIS 56 CO 0.40 -0.28 -0.09 -0.06 -0.65 0.00 0.00 174.74 174.06 1fhs s PHE 57 N 1.84 2.90 -0.30 3.88 0.08 0.98 -4.97 117.98 122.39 1fhs s PHE 57 Ca 0.03 -0.72 -0.15 0.00 0.12 0.00 0.00 56.93 56.21 1fhs s PHE 57 Cb -0.12 -1.95 -0.03 0.00 -0.57 0.00 0.00 43.02 40.35 1fhs s PHE 57 CO -0.04 -0.31 0.39 0.15 -0.10 0.00 0.00 175.22 175.30 1fhs s LYS 58 N 0.76 3.85 -0.90 0.44 1.02 -1.26 0.15 119.74 123.80 1fhs s LYS 58 Ca -0.04 -0.11 -0.24 0.00 0.02 0.00 0.00 55.97 55.60 1fhs s LYS 58 Cb -0.15 -3.71 0.01 0.00 -0.52 0.00 0.00 37.83 33.46 1fhs s LYS 58 CO 0.02 -0.39 1.61 0.08 -0.92 0.00 0.00 175.35 175.75 1fhs s VAL 59 N 2.09 3.69 0.27 3.17 1.01 0.23 -4.42 120.40 126.45 1fhs s VAL 59 Ca 0.14 -0.35 -0.09 0.00 0.00 0.00 0.00 61.98 61.68 1fhs s VAL 59 Cb -0.16 -4.61 -0.07 0.00 0.00 0.00 0.00 36.38 31.54 1fhs s VAL 59 CO 0.11 -1.53 0.60 -0.76 0.00 0.00 0.00 175.10 173.52 1fhs s LEU 60 N 7.01 4.09 0.40 3.92 1.43 -0.02 -4.44 118.68 131.07 1fhs s LEU 60 Ca 0.53 0.95 0.08 0.00 -1.03 0.00 0.00 54.13 54.66 1fhs s LEU 60 Cb -0.05 -3.74 -0.01 0.00 0.03 0.00 0.00 46.19 42.42 1fhs s LEU 60 CO 0.00 -0.15 0.46 -0.60 0.23 0.00 0.00 176.35 176.28 1fhs s ARG 61 N -3.11 2.74 0.00 1.70 3.52 -1.26 -0.24 118.95 122.31 1fhs s ARG 61 Ca 0.48 -1.33 0.00 0.00 -0.13 0.00 0.00 55.73 54.75 1fhs s ARG 61 Cb -0.11 -2.59 0.00 0.00 -1.56 0.00 0.00 34.95 30.69 1fhs s ARG 61 CO 0.24 -0.16 0.00 -0.40 -0.81 0.00 0.00 175.30 174.16 1fhs n ASP 62 N -1.66 0.00 -2.21 -2.12 5.75 -1.17 -4.98 116.55 110.16 1fhs n ASP 62 Ca 0.04 0.00 -0.30 0.00 -0.01 0.00 0.00 54.79 54.53 1fhs n ASP 62 Cb 0.60 0.00 0.11 0.00 -1.03 0.00 0.00 41.12 40.80 1fhs n ASP 62 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fhs n GLY 63 N 5.00 5.52 1.03 6.12 0.00 -1.26 -4.32 105.19 117.27 1fhs n GLY 63 Ca 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.05 1fhs n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fhs n ALA 64 N -0.97 1.71 0.00 4.61 0.00 -1.26 -5.05 120.51 119.54 1fhs n ALA 64 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1fhs n ALA 64 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.42 1fhs n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fhs n GLY 65 N 0.54 0.54 3.82 0.00 0.00 -1.26 -5.14 105.19 103.69 1fhs n GLY 65 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1fhs n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fhs s LYS 66 N 0.00 4.02 -0.12 1.61 -0.14 -1.26 -4.78 119.74 119.07 1fhs s LYS 66 Ca 0.00 0.47 -0.12 0.00 -1.36 0.00 0.00 55.97 54.96 1fhs s LYS 66 Cb 0.00 -3.25 -0.05 0.00 -1.68 0.00 0.00 37.83 32.85 1fhs s LYS 66 CO 0.00 0.61 0.27 0.71 -0.76 0.00 0.00 175.35 176.18 1fhs s TYR 67 N -0.87 3.55 0.00 3.18 2.02 0.37 -3.04 117.35 122.55 1fhs s TYR 67 Ca 0.25 0.64 0.00 0.00 -0.37 0.00 0.00 57.07 57.59 1fhs s TYR 67 Cb -0.17 -2.22 0.00 0.00 -0.40 0.00 0.00 41.96 39.17 1fhs s TYR 67 CO 0.14 0.45 0.00 1.97 -1.57 0.00 0.00 175.55 176.53 1fhs n PHE 68 N 2.83 -0.15 0.00 2.71 1.16 0.67 -1.96 117.46 122.72 1fhs n PHE 68 Ca -0.15 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.43 1fhs n PHE 68 Cb 0.53 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.40 1fhs n PHE 68 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1fhs n LEU 69 N 0.00 0.95 -0.06 5.98 4.32 -1.26 -0.84 117.00 126.09 1fhs n LEU 69 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 55.91 1fhs n LEU 69 Cb 0.00 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 41.74 1fhs n LEU 69 CO 0.00 0.16 -0.90 0.79 -1.22 0.00 0.00 177.39 176.22 1fhs n TRP 70 N -1.79 0.00 0.00 -1.77 8.01 -1.26 -4.87 117.44 115.77 1fhs n TRP 70 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1fhs n TRP 70 Cb 0.17 -0.48 0.00 0.00 -2.01 0.00 0.00 31.31 28.98 1fhs n TRP 70 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.69 176.96 1fhs n VAL 71 N -2.80 0.00 -3.63 -0.99 0.31 -1.26 -5.15 118.33 104.80 1fhs n VAL 71 Ca -0.21 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.01 1fhs n VAL 71 Cb 0.75 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.61 1fhs n VAL 71 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1fhs s VAL 72 N 0.00 0.00 0.00 2.52 -7.23 -1.26 -4.78 120.40 109.65 1fhs s VAL 72 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 1fhs s VAL 72 Cb 0.00 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 35.94 1fhs s VAL 72 CO 0.00 0.00 0.00 2.29 -0.31 0.00 0.00 175.10 177.08 1fhs n LYS 73 N 3.07 0.00 -4.70 4.82 2.85 -1.26 -5.05 118.16 117.89 1fhs n LYS 73 Ca -0.15 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.81 1fhs n LYS 73 Cb 0.56 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.80 1fhs n LYS 73 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1fhs s PHE 74 N -0.21 2.29 -0.22 5.58 0.08 -0.83 -5.00 117.98 119.67 1fhs s PHE 74 Ca 0.00 -0.40 0.20 0.00 0.12 0.00 0.00 56.93 56.85 1fhs s PHE 74 Cb 0.00 -1.32 0.02 0.00 -0.57 0.00 0.00 43.02 41.15 1fhs s PHE 74 CO 0.00 0.21 1.13 -2.95 -0.10 0.00 0.00 175.22 173.51 1fhs h ASN 75 N 4.44 0.00 -5.07 1.36 -1.07 -1.87 1.06 115.58 114.43 1fhs h ASN 75 Ca -0.48 0.00 -0.03 0.00 0.07 0.00 0.00 56.30 55.86 1fhs h ASN 75 Cb 1.15 0.00 -0.11 0.00 -2.07 0.00 0.00 38.32 37.29 1fhs h ASN 75 CO 0.42 0.26 0.02 -0.55 0.07 0.00 0.00 177.43 177.65 1fhs s SER 76 N -5.81 -0.30 0.27 6.14 0.15 -1.26 -4.39 113.70 108.50 1fhs s SER 76 Ca 0.01 -0.35 -0.01 0.00 0.70 0.00 0.00 55.95 56.29 1fhs s SER 76 Cb 0.08 0.55 0.60 0.00 -1.71 0.00 0.00 66.02 65.54 1fhs s SER 76 CO 0.77 -0.97 1.65 -0.07 1.20 0.00 0.00 173.24 175.82 1fhs h LEU 77 N 2.23 -0.08 -1.14 3.45 3.38 -1.93 1.07 115.31 122.28 1fhs h LEU 77 Ca -0.31 0.19 0.26 0.00 0.09 0.00 0.00 57.88 58.10 1fhs h LEU 77 Cb 1.27 0.27 -0.11 0.00 0.09 0.00 0.00 40.66 42.18 1fhs h LEU 77 CO 0.41 -0.14 0.63 0.78 0.09 0.00 0.00 178.44 180.21 1fhs h ASN 78 N 0.20 0.58 1.73 -0.43 4.21 -1.98 1.31 115.58 121.20 1fhs h ASN 78 Ca 0.50 0.12 0.00 0.00 1.21 0.00 0.00 56.30 58.12 1fhs h ASN 78 Cb 0.95 0.03 0.00 0.00 -1.12 0.00 0.00 38.32 38.17 1fhs h ASN 78 CO -0.64 0.09 0.00 -0.33 -1.29 0.00 0.00 177.43 175.26 1fhs h GLU 79 N 0.50 0.00 0.29 0.81 3.07 0.77 0.81 114.58 120.83 1fhs h GLU 79 Ca 0.63 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.48 1fhs h GLU 79 Cb 1.36 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.28 1fhs h GLU 79 CO -0.41 0.00 -0.14 1.25 -1.40 0.00 0.00 179.01 178.31 1fhs h LEU 80 N 0.00 -0.33 -0.90 1.33 6.46 0.23 -1.77 115.31 120.33 1fhs h LEU 80 Ca 0.00 -0.13 0.16 0.00 -0.12 0.00 0.00 57.88 57.79 1fhs h LEU 80 Cb 0.87 0.09 -0.10 0.00 -0.73 0.00 0.00 40.66 40.78 1fhs h LEU 80 CO 0.00 0.15 0.49 0.58 -0.62 0.00 0.00 178.44 179.05 1fhs h VAL 81 N -1.02 0.71 -0.44 1.05 2.07 -0.15 0.32 116.25 118.80 1fhs h VAL 81 Ca -0.04 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 1fhs h VAL 81 Cb 0.44 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1fhs h VAL 81 CO 0.07 0.12 0.16 -0.78 0.02 0.00 0.00 177.57 177.16 1fhs h ASP 82 N 0.67 0.61 -0.15 0.57 1.82 0.61 0.43 116.42 120.97 1fhs h ASP 82 Ca 0.50 -0.18 -0.15 0.00 -0.39 0.00 0.00 57.03 56.82 1fhs h ASP 82 Cb 0.74 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.59 1fhs h ASP 82 CO -0.38 0.62 -0.44 0.22 -1.61 0.00 0.00 179.24 177.66 1fhs h TYR 83 N 0.56 0.85 -0.05 0.28 5.03 -0.31 -3.05 116.97 120.29 1fhs h TYR 83 Ca 0.14 -0.26 -0.15 0.00 2.58 0.00 0.00 58.73 61.04 1fhs h TYR 83 Cb 0.21 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.30 1fhs h TYR 83 CO 0.00 1.02 -0.65 0.45 -1.32 0.00 0.00 178.16 177.66 1fhs h HIS 84 N 0.57 0.28 0.00 -3.82 3.86 -0.11 -3.01 115.15 112.91 1fhs h HIS 84 Ca 0.04 -0.11 -0.03 0.00 -1.16 0.00 0.00 60.37 59.10 1fhs h HIS 84 Cb 0.98 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 29.40 1fhs h HIS 84 CO 0.05 0.80 -0.05 2.89 0.86 0.00 0.00 177.93 182.48 1fhs n ARG 85 N -3.83 1.03 0.00 2.45 1.85 0.15 -2.83 116.66 115.47 1fhs n ARG 85 Ca -0.02 -0.16 0.00 0.00 -1.00 0.00 0.00 57.85 56.67 1fhs n ARG 85 Cb 0.65 -1.23 0.00 0.00 -1.05 0.00 0.00 32.46 30.83 1fhs n ARG 85 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1fhs n SER 86 N 1.75 0.00 0.00 2.89 2.88 -1.15 -5.00 113.62 114.99 1fhs n SER 86 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1fhs n SER 86 Cb 0.50 0.12 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 1fhs n SER 86 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1fhs n THR 87 N -1.99 0.00 -4.19 2.46 5.66 -1.13 -5.12 114.28 109.98 1fhs n THR 87 Ca 0.00 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.85 1fhs n THR 87 Cb 0.00 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.71 1fhs n THR 87 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1fhs s SER 88 N -0.61 0.89 -0.21 1.09 1.04 -1.26 -4.58 113.70 110.06 1fhs s SER 88 Ca 0.00 -1.51 -0.04 0.00 0.48 0.00 0.00 55.95 54.88 1fhs s SER 88 Cb 0.00 0.53 -0.20 0.00 0.10 0.00 0.00 66.02 66.45 1fhs s SER 88 CO 0.00 -1.06 -0.00 1.33 0.98 0.00 0.00 173.24 174.49 1fhs n VAL 89 N -0.48 1.60 -4.10 5.02 0.24 -1.24 -4.87 118.33 114.50 1fhs n VAL 89 Ca 0.03 -0.56 -0.33 0.00 -2.04 0.00 0.00 64.34 61.45 1fhs n VAL 89 Cb 0.63 -1.61 -0.16 0.00 -1.47 0.00 0.00 33.84 31.23 1fhs n VAL 89 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1fhs s SER 90 N -6.81 3.16 0.31 -1.34 0.15 -1.24 -4.98 113.70 102.95 1fhs s SER 90 Ca -0.30 -0.68 0.04 0.00 0.70 0.00 0.00 55.95 55.71 1fhs s SER 90 Cb 0.08 -1.45 0.65 0.00 -1.71 0.00 0.00 66.02 63.60 1fhs s SER 90 CO 0.65 -0.02 1.86 0.03 1.20 0.00 0.00 173.24 176.96 1fhs h ARG 91 N 7.94 0.86 -1.00 5.44 3.08 -2.01 0.17 114.38 128.86 1fhs h ARG 91 Ca -0.43 -0.05 0.20 0.00 0.07 0.00 0.00 59.98 59.77 1fhs h ARG 91 Cb 1.13 -0.19 -0.11 0.00 0.08 0.00 0.00 29.97 30.88 1fhs h ARG 91 CO 0.62 0.57 0.61 -0.91 -1.07 0.00 0.00 179.97 179.79 1fhs h ASN 92 N 0.88 0.72 -3.15 7.04 2.35 -2.03 -3.40 115.58 117.99 1fhs h ASN 92 Ca 0.46 0.10 -0.13 0.00 -0.55 0.00 0.00 56.30 56.18 1fhs h ASN 92 Cb 0.53 -0.03 -0.27 0.00 0.05 0.00 0.00 38.32 38.60 1fhs h ASN 92 CO -0.23 0.23 -0.34 0.00 -1.65 0.00 0.00 177.43 175.44 1fhs s GLN 93 N -5.79 0.35 -0.02 0.81 -2.07 0.58 -5.12 119.66 108.41 1fhs s GLN 93 Ca -0.11 0.77 -0.30 0.00 -1.82 0.00 0.00 55.36 53.91 1fhs s GLN 93 Cb 0.25 -0.00 -0.06 0.00 -1.09 0.00 0.00 33.01 32.11 1fhs s GLN 93 CO 0.80 -0.17 1.51 1.14 -1.32 0.00 0.00 175.29 177.25 1fhs s GLN 94 N 1.54 4.23 -0.13 9.60 -2.07 -1.22 -3.66 119.66 127.96 1fhs s GLN 94 Ca -0.08 2.07 0.03 0.00 -1.82 0.00 0.00 55.36 55.56 1fhs s GLN 94 Cb -0.09 -3.72 0.01 0.00 -1.09 0.00 0.00 33.01 28.11 1fhs s GLN 94 CO -0.12 -0.70 -0.23 0.42 -1.32 0.00 0.00 175.29 173.34 1fhs s ILE 95 N 3.04 2.07 0.17 3.63 1.01 -1.26 -4.96 121.20 124.89 1fhs s ILE 95 Ca 0.68 -0.99 0.04 0.00 0.00 0.00 0.00 60.65 60.38 1fhs s ILE 95 Cb -0.33 -1.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.30 1fhs s ILE 95 CO 0.27 0.55 0.20 0.12 0.00 0.00 0.00 174.94 176.09 1fhs s PHE 96 N 0.65 3.28 -0.25 3.97 5.36 -1.26 -3.60 117.98 126.12 1fhs s PHE 96 Ca -0.11 0.02 -0.20 0.00 -0.96 0.00 0.00 56.93 55.68 1fhs s PHE 96 Cb -0.16 -1.56 -0.02 0.00 -0.34 0.00 0.00 43.02 40.93 1fhs s PHE 96 CO 0.02 0.51 0.62 -0.51 -1.46 0.00 0.00 175.22 174.40 1fhs s LEU 97 N -3.23 4.07 0.02 6.12 1.43 -1.26 -4.11 118.68 121.72 1fhs s LEU 97 Ca 0.32 0.70 0.05 0.00 -1.03 0.00 0.00 54.13 54.18 1fhs s LEU 97 Cb -0.10 -2.84 -0.02 0.00 0.03 0.00 0.00 46.19 43.26 1fhs s LEU 97 CO 0.25 -0.35 -0.16 -0.13 0.23 0.00 0.00 176.35 176.19 1fhs s ARG 98 N 2.42 1.16 -0.03 1.70 0.52 -1.15 -4.95 118.95 118.64 1fhs s ARG 98 Ca 0.26 -0.73 -0.38 0.00 -0.52 0.00 0.00 55.73 54.36 1fhs s ARG 98 Cb -0.16 -1.18 -0.16 0.00 0.52 0.00 0.00 34.95 33.97 1fhs s ARG 98 CO 0.09 0.31 1.45 -0.25 0.02 0.00 0.00 175.30 176.92 1fhs n ASP 99 N 2.16 1.82 0.00 0.23 9.92 -1.26 -2.71 116.55 126.71 1fhs n ASP 99 Ca -0.17 1.11 0.00 0.00 -0.53 0.00 0.00 54.79 55.20 1fhs n ASP 99 Cb 0.54 -1.17 0.00 0.00 -0.64 0.00 0.00 41.12 39.85 1fhs n ASP 99 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1fhs n ILE 100 N 3.11 0.00 -2.38 0.53 3.06 -1.25 -4.75 119.36 117.68 1fhs n ILE 100 Ca 0.21 0.00 -0.20 0.00 -2.50 0.00 0.00 62.75 60.26 1fhs n ILE 100 Cb 0.17 0.00 0.11 0.00 0.54 0.00 0.00 39.64 40.46 1fhs n ILE 100 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 1fhs n GLU 101 N 0.00 -0.20 -2.09 9.51 4.07 -1.26 -4.93 120.64 125.75 1fhs n GLU 101 Ca 0.00 -2.10 0.00 0.00 -0.06 0.00 0.00 57.16 55.00 1fhs n GLU 101 Cb 0.00 -0.66 0.00 0.00 -0.06 0.00 0.00 31.44 30.72 1fhs n GLU 101 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 1fhs n GLN 102 N -2.66 -4.92 -3.80 5.31 7.27 -1.26 -5.04 117.38 112.27 1fhs n GLN 102 Ca 0.13 3.48 -0.13 0.00 0.07 0.00 0.00 57.00 60.55 1fhs n GLN 102 Cb 0.48 -3.92 -0.14 0.00 2.41 0.00 0.00 30.24 29.07 1fhs n GLN 102 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1fhs s VAL 103 N -0.47 -0.02 -0.22 1.69 0.11 -1.26 -5.11 120.40 115.11 1fhs s VAL 103 Ca 0.00 0.09 -0.42 0.00 -2.93 0.00 0.00 61.98 58.72 1fhs s VAL 103 Cb 0.00 -0.18 -0.18 0.00 -1.53 0.00 0.00 36.38 34.49 1fhs s VAL 103 CO 0.00 0.04 1.48 -2.65 -3.33 0.00 0.00 175.10 170.64 1fhs n PRO 104 N 3.56 0.55 -3.43 1.54 -0.02 -1.26 -4.93 135.00 131.02 1fhs n PRO 104 Ca -0.19 0.20 0.01 0.00 -2.02 0.00 0.00 63.50 61.51 1fhs n PRO 104 Cb 0.56 -1.78 -0.05 0.00 -0.02 0.00 0.00 33.50 32.21 1fhs n PRO 104 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1fhs s GLN 105 N 2.06 0.24 0.14 -0.52 -2.07 -1.26 -5.14 119.66 113.12 1fhs s GLN 105 Ca 0.96 0.54 0.07 0.00 -1.82 0.00 0.00 55.36 55.11 1fhs s GLN 105 Cb -1.22 0.26 -0.04 0.00 -1.09 0.00 0.00 33.01 30.91 1fhs s GLN 105 CO 0.65 -0.07 -0.16 -0.65 -1.32 0.00 0.00 175.29 173.74 1fhs s GLN 106 N 2.03 1.15 -0.15 9.60 -1.52 -1.26 -5.09 119.66 124.41 1fhs s GLN 106 Ca -0.04 -1.32 -0.40 0.00 -1.95 0.00 0.00 55.36 51.66 1fhs s GLN 106 Cb -0.04 -1.14 -0.17 0.00 -0.22 0.00 0.00 33.01 31.44 1fhs s GLN 106 CO -0.16 0.23 1.54 -2.30 -0.25 0.00 0.00 175.29 174.35 1fhs n PRO 107 N 0.44 0.95 0.00 2.91 -0.02 -1.26 -4.80 135.00 133.22 1fhs n PRO 107 Ca -0.15 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1fhs n PRO 107 Cb 0.57 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 1fhs n PRO 107 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1fhs n THR 108 N 3.58 0.00 -3.53 3.45 -1.04 -1.26 -5.16 114.28 110.32 1fhs n THR 108 Ca 0.24 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.18 1fhs n THR 108 Cb 0.13 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.56 1fhs n THR 108 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1fhs s TYR 109 N 0.00 -0.95 -0.16 -1.42 6.14 -1.26 -5.13 117.35 114.57 1fhs s TYR 109 Ca 0.00 1.46 -0.23 0.00 0.64 0.00 0.00 57.07 58.94 1fhs s TYR 109 Cb 0.00 0.31 -0.02 0.00 0.42 0.00 0.00 41.96 42.67 1fhs s TYR 109 CO 0.00 -0.60 0.73 0.14 0.64 0.00 0.00 175.55 176.46 1fhs s VAL 110 N 2.65 4.96 -0.26 3.14 -7.23 -1.26 -5.02 120.40 117.39 1fhs s VAL 110 Ca 0.04 1.43 -0.10 0.00 -1.81 0.00 0.00 61.98 61.53 1fhs s VAL 110 Cb -0.13 -4.05 -0.05 0.00 0.56 0.00 0.00 36.38 32.71 1fhs s VAL 110 CO -0.15 0.10 0.16 0.00 -0.31 0.00 0.00 175.10 174.90 1fhs s GLN 111 N 1.80 3.99 0.00 4.82 -2.07 -1.26 -5.37 119.66 121.58 1fhs s GLN 111 Ca 0.34 -0.31 0.00 0.00 -1.82 0.00 0.00 55.36 53.58 1fhs s GLN 111 Cb -0.16 -3.56 0.00 0.00 -1.09 0.00 0.00 33.01 28.19 1fhs s GLN 111 CO 0.13 -0.05 0.15 0.00 -1.32 0.00 0.00 175.29 174.20