#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fhs s ILE 2 N 0.00 -0.07 -0.11 -0.61 -4.36 -1.26 -5.13 121.20 109.66 1fhs s ILE 2 Ca 0.00 0.14 -0.00 0.00 -0.26 0.00 0.00 60.65 60.52 1fhs s ILE 2 Cb 0.00 -0.48 0.02 0.00 1.25 0.00 0.00 42.46 43.26 1fhs s ILE 2 CO 0.00 0.06 -0.08 -1.61 0.24 0.00 0.00 174.94 173.55 1fhs s GLU 3 N 1.42 1.51 -0.20 0.37 8.01 -1.26 -5.09 118.70 123.47 1fhs s GLU 3 Ca -0.09 -0.26 -0.29 0.00 0.01 0.00 0.00 54.97 54.34 1fhs s GLU 3 Cb -0.10 -1.55 -0.03 0.00 -4.31 0.00 0.00 34.13 28.15 1fhs s GLU 3 CO -0.10 -0.24 1.57 1.41 0.01 0.00 0.00 175.26 177.91 1fhs s MET 4 N 1.61 3.90 -0.28 1.61 1.75 -1.26 -4.90 119.30 121.72 1fhs s MET 4 Ca 0.03 1.71 -0.36 0.00 -1.25 0.00 0.00 55.69 55.83 1fhs s MET 4 Cb -0.13 -3.99 0.17 0.00 2.84 0.00 0.00 34.83 33.71 1fhs s MET 4 CO -0.07 -1.16 1.36 -1.59 -0.65 0.00 0.00 175.02 172.90 1fhs s LYS 5 N 4.44 0.07 0.00 4.11 -2.85 -1.26 -4.70 119.74 119.55 1fhs s LYS 5 Ca 0.69 -0.01 0.00 0.00 -1.00 0.00 0.00 55.97 55.65 1fhs s LYS 5 Cb -0.25 0.03 0.00 0.00 -2.06 0.00 0.00 37.83 35.55 1fhs s LYS 5 CO 0.27 -0.03 0.00 -2.30 0.10 0.00 0.00 175.35 173.40 1fhs n PRO 6 N 0.13 0.00 -3.80 1.78 -0.02 -1.26 -4.98 135.00 126.85 1fhs n PRO 6 Ca 0.03 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.39 1fhs n PRO 6 Cb 0.57 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.95 1fhs n PRO 6 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1fhs s HIS 7 N 0.00 -0.13 -0.05 6.00 3.76 -1.26 -5.11 115.29 118.50 1fhs s HIS 7 Ca 0.00 0.25 -0.30 0.00 -0.15 0.00 0.00 55.06 54.86 1fhs s HIS 7 Cb 0.00 0.05 -0.04 0.00 1.11 0.00 0.00 32.58 33.70 1fhs s HIS 7 CO 0.00 -0.29 1.30 -1.25 -0.85 0.00 0.00 174.74 173.65 1fhs s PRO 8 N -0.96 4.31 -1.52 8.40 0.04 -1.26 -3.31 135.00 140.70 1fhs s PRO 8 Ca -0.10 1.80 -0.06 0.00 0.04 0.00 0.00 61.00 62.67 1fhs s PRO 8 Cb -0.05 -3.60 0.06 0.00 0.04 0.00 0.00 34.50 30.95 1fhs s PRO 8 CO 0.02 -0.54 0.15 -2.67 0.04 0.00 0.00 177.00 174.00 1fhs n TRP 9 N 5.48 -1.15 -3.54 0.56 4.27 -1.26 -4.90 117.44 116.90 1fhs n TRP 9 Ca 0.12 0.59 -0.22 0.00 -3.89 0.00 0.00 57.50 54.09 1fhs n TRP 9 Cb 0.45 -2.37 -0.15 0.00 -1.36 0.00 0.00 31.31 27.88 1fhs n TRP 9 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 1fhs s PHE 10 N -3.98 -0.04 -0.37 -2.67 5.36 -1.21 -2.87 117.98 112.21 1fhs s PHE 10 Ca 0.20 -0.13 0.02 0.00 -0.96 0.00 0.00 56.93 56.07 1fhs s PHE 10 Cb -0.12 -0.56 0.11 0.00 -0.34 0.00 0.00 43.02 42.11 1fhs s PHE 10 CO 0.94 -0.61 0.12 -0.06 -1.46 0.00 0.00 175.22 174.15 1fhs s PHE 11 N 2.23 2.81 0.00 10.12 0.40 -1.07 -4.46 117.98 128.01 1fhs s PHE 11 Ca 0.05 -2.56 0.00 0.00 -0.60 0.00 0.00 56.93 53.82 1fhs s PHE 11 Cb -0.16 -2.40 0.00 0.00 0.51 0.00 0.00 43.02 40.98 1fhs s PHE 11 CO -0.15 -0.88 0.00 0.41 0.70 0.00 0.00 175.22 175.31 1fhs n GLY 12 N 4.18 0.00 2.73 4.36 0.00 -1.26 -2.82 105.19 112.38 1fhs n GLY 12 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1fhs n GLY 12 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1fhs n LYS 13 N 0.00 3.53 -2.29 1.61 4.81 -1.18 0.15 118.16 124.80 1fhs n LYS 13 Ca 0.00 -4.29 -0.41 0.00 -0.87 0.00 0.00 58.31 52.74 1fhs n LYS 13 Cb 0.00 -2.29 -0.03 0.00 0.02 0.00 0.00 35.03 32.73 1fhs n LYS 13 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 1fhs s ILE 14 N -5.00 3.42 0.03 3.15 1.10 -1.21 -4.93 121.20 117.77 1fhs s ILE 14 Ca 0.48 1.15 -0.30 0.00 -0.51 0.00 0.00 60.65 61.46 1fhs s ILE 14 Cb 0.35 -3.73 -0.07 0.00 0.15 0.00 0.00 42.46 39.16 1fhs s ILE 14 CO -0.24 0.16 1.61 -2.16 -2.11 0.00 0.00 174.94 172.19 1fhs s PRO 15 N 0.08 4.21 0.26 3.50 0.04 -1.26 -4.78 135.00 137.05 1fhs s PRO 15 Ca 0.56 2.24 0.16 0.00 0.04 0.00 0.00 61.00 64.00 1fhs s PRO 15 Cb -0.34 -3.68 0.94 0.00 0.04 0.00 0.00 34.50 31.46 1fhs s PRO 15 CO 0.36 -0.73 1.09 -2.13 0.04 0.00 0.00 177.00 175.63 1fhs n ARG 16 N 5.87 -0.04 0.00 4.56 0.63 -1.26 0.57 116.66 126.99 1fhs n ARG 16 Ca 0.16 0.94 0.00 0.00 -0.92 0.00 0.00 57.85 58.02 1fhs n ARG 16 Cb 0.42 -1.71 0.00 0.00 0.45 0.00 0.00 32.46 31.62 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 -2.50 0.00 -0.38 5.13 0.00 -1.26 -0.05 120.51 121.45 1fhs n ALA 17 Ca 0.26 0.00 0.33 0.00 0.00 0.00 0.00 53.44 54.03 1fhs n ALA 17 Cb 0.92 0.07 0.55 0.00 0.00 0.00 0.00 19.45 20.99 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 -0.58 -0.03 0.00 0.00 3.00 0.19 0.99 118.16 121.73 1fhs n LYS 18 Ca 0.00 1.05 0.00 0.00 -0.00 0.00 0.00 58.31 59.36 1fhs n LYS 18 Cb 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 35.03 32.98 1fhs n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1fhs n ALA 19 N -2.52 -0.37 -0.25 3.14 0.00 0.13 -1.88 120.51 118.76 1fhs n ALA 19 Ca 0.33 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.70 1fhs n ALA 19 Cb 1.27 0.02 -0.02 0.00 0.00 0.00 0.00 19.45 20.72 1fhs n ALA 19 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1fhs h GLU 20 N 0.00 -0.16 0.00 0.00 5.08 0.43 0.65 114.58 120.58 1fhs h GLU 20 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1fhs h GLU 20 Cb 0.00 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1fhs h GLU 20 CO 0.00 -0.11 0.00 0.39 -1.00 0.00 0.00 179.01 178.29 1fhs n GLU 21 N -5.41 0.00 -0.35 2.33 -0.58 0.19 0.15 120.64 116.97 1fhs n GLU 21 Ca 0.03 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.80 1fhs n GLU 21 Cb 0.35 -0.30 0.17 0.00 -0.57 0.00 0.00 31.44 31.09 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 1.04 -0.94 3.49 -0.00 -1.30 0.49 114.93 117.71 1fhs h MET 22 Ca 0.00 -0.06 0.25 0.00 -0.00 0.00 0.00 59.70 59.88 1fhs h MET 22 Cb 0.00 -0.24 -0.06 0.00 -0.00 0.00 0.00 31.60 31.31 1fhs h MET 22 CO 0.00 0.69 0.65 1.25 -0.00 0.00 0.00 176.91 179.50 1fhs h LEU 23 N 1.07 0.22 -0.03 -0.10 5.85 0.55 0.82 115.31 123.68 1fhs h LEU 23 Ca 0.42 0.03 -0.26 0.00 0.84 0.00 0.00 57.88 58.91 1fhs h LEU 23 Cb 0.21 -0.01 0.02 0.00 0.37 0.00 0.00 40.66 41.25 1fhs h LEU 23 CO -0.19 0.07 -1.00 -1.28 -0.34 0.00 0.00 178.44 175.70 1fhs h SER 24 N 0.21 0.91 0.00 1.25 0.87 0.63 -3.11 113.55 114.30 1fhs h SER 24 Ca 0.48 -0.70 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 1fhs h SER 24 Cb 1.53 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1fhs h SER 24 CO -0.11 1.51 0.00 0.29 -0.53 0.00 0.00 176.83 177.98 1fhs n LYS 25 N -3.86 0.58 -1.74 2.24 5.02 0.28 -4.63 118.16 116.04 1fhs n LYS 25 Ca -0.10 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.12 1fhs n LYS 25 Cb 0.86 -1.21 0.02 0.00 -0.02 0.00 0.00 35.03 34.68 1fhs n LYS 25 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1fhs n GLN 26 N 1.33 0.96 -0.29 1.97 1.13 -0.98 -4.93 117.38 116.57 1fhs n GLN 26 Ca 0.00 -0.98 0.00 0.00 -1.94 0.00 0.00 57.00 54.08 1fhs n GLN 26 Cb 0.29 -0.03 0.00 0.00 0.11 0.00 0.00 30.24 30.61 1fhs n GLN 26 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1fhs n ARG 27 N -1.27 0.78 -3.53 -1.09 3.00 -1.26 -4.70 116.66 108.59 1fhs n ARG 27 Ca 0.04 0.00 -0.24 0.00 -0.01 0.00 0.00 57.85 57.63 1fhs n ARG 27 Cb 0.19 -1.11 -0.05 0.00 0.00 0.00 0.00 32.46 31.49 1fhs n ARG 27 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1fhs n HIS 28 N 1.34 -1.33 -3.27 -1.55 8.25 -1.26 -4.79 115.22 112.60 1fhs n HIS 28 Ca 0.00 0.39 -0.24 0.00 -0.26 0.00 0.00 57.72 57.61 1fhs n HIS 28 Cb 0.39 -1.39 -0.08 0.00 1.12 0.00 0.00 29.99 30.03 1fhs n HIS 28 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1fhs n ASP 29 N -1.85 -0.48 -1.32 0.41 8.00 -1.26 -4.77 116.55 115.28 1fhs n ASP 29 Ca 0.07 -2.53 -0.07 0.00 0.71 0.00 0.00 54.79 52.97 1fhs n ASP 29 Cb 0.42 -0.41 -0.03 0.00 -0.02 0.00 0.00 41.12 41.09 1fhs n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fhs n GLY 30 N 2.33 0.57 3.63 0.44 0.00 -0.31 -4.07 105.19 107.79 1fhs n GLY 30 Ca 0.26 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.39 0.38 -2.95 4.61 0.00 -1.26 -2.76 120.51 118.14 1fhs n ALA 31 Ca -0.07 0.42 -0.10 0.00 0.00 0.00 0.00 53.44 53.69 1fhs n ALA 31 Cb 0.26 -2.16 -0.11 0.00 0.00 0.00 0.00 19.45 17.43 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 -0.32 0.28 0.03 0.00 -0.71 -1.14 0.96 117.98 117.08 1fhs s PHE 32 Ca 0.67 -0.46 0.00 0.00 -1.04 0.00 0.00 56.93 56.11 1fhs s PHE 32 Cb -0.71 -0.19 -0.02 0.00 -1.21 0.00 0.00 43.02 40.88 1fhs s PHE 32 CO 0.53 -0.15 -0.03 -0.48 -1.34 0.00 0.00 175.22 173.74 1fhs s LEU 33 N -1.27 2.26 -0.30 -1.99 0.05 -0.75 -3.90 118.68 112.79 1fhs s LEU 33 Ca -0.13 -0.55 0.01 0.00 0.05 0.00 0.00 54.13 53.51 1fhs s LEU 33 Cb -0.09 0.08 0.07 0.00 -2.05 0.00 0.00 46.19 44.20 1fhs s LEU 33 CO -0.01 -0.32 -0.03 -0.63 -0.55 0.00 0.00 176.35 174.82 1fhs s ILE 34 N -1.67 2.55 -0.09 1.48 1.01 -1.14 -0.22 121.20 123.12 1fhs s ILE 34 Ca -0.13 -1.68 -0.09 0.00 0.00 0.00 0.00 60.65 58.75 1fhs s ILE 34 Cb -0.08 -2.56 -0.04 0.00 0.01 0.00 0.00 42.46 39.79 1fhs s ILE 34 CO -0.02 -0.18 0.21 0.00 0.00 0.00 0.00 174.94 174.95 1fhs s ARG 35 N 1.13 3.55 -0.11 2.79 1.70 -1.15 -2.58 118.95 124.28 1fhs s ARG 35 Ca -0.04 -0.01 -0.04 0.00 -0.47 0.00 0.00 55.73 55.18 1fhs s ARG 35 Cb -0.20 -3.19 -0.04 0.00 -0.57 0.00 0.00 34.95 30.95 1fhs s ARG 35 CO -0.04 0.75 0.03 -1.83 -1.08 0.00 0.00 175.30 173.14 1fhs s GLU 36 N -1.07 3.29 0.00 3.89 -1.05 0.40 -3.25 118.70 120.90 1fhs s GLU 36 Ca 0.18 -0.36 0.00 0.00 -0.15 0.00 0.00 54.97 54.64 1fhs s GLU 36 Cb -0.13 -2.94 0.00 0.00 -0.44 0.00 0.00 34.13 30.62 1fhs s GLU 36 CO 0.07 0.61 0.00 0.43 0.95 0.00 0.00 175.26 177.31 1fhs n SER 37 N 2.46 0.00 0.00 0.83 7.64 -1.20 -3.08 113.62 120.27 1fhs n SER 37 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 1fhs n SER 37 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 1fhs n SER 37 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1fhs n GLU 38 N 0.00 0.00 -0.01 1.43 2.13 -1.26 -4.46 120.64 118.47 1fhs n GLU 38 Ca 0.00 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.60 1fhs n GLU 38 Cb 0.00 -0.10 -0.14 0.00 0.27 0.00 0.00 31.44 31.48 1fhs n GLU 38 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1fhs h SER 39 N 0.00 0.35 0.00 4.31 4.64 -2.02 -3.46 113.55 117.37 1fhs h SER 39 Ca 0.00 -0.87 -0.49 0.00 -0.47 0.00 0.00 61.79 59.96 1fhs h SER 39 Cb 0.00 -0.11 -0.08 0.00 -0.31 0.00 0.00 62.40 61.89 1fhs h SER 39 CO 0.00 1.79 1.63 0.00 -0.87 0.00 0.00 176.83 179.38 1fhs n ALA 40 N -3.07 0.27 1.36 5.18 0.00 -1.26 -4.71 120.51 118.28 1fhs n ALA 40 Ca -0.32 -0.23 0.13 0.00 0.00 0.00 0.00 53.44 53.02 1fhs n ALA 40 Cb 0.98 -2.13 0.70 0.00 0.00 0.00 0.00 19.45 19.01 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 7.94 0.49 -1.54 0.00 -0.04 -1.26 -3.34 135.00 137.25 1fhs n PRO 41 Ca 0.61 0.03 -0.21 0.00 -0.04 0.00 0.00 63.50 63.89 1fhs n PRO 41 Cb 0.02 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.07 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 0.90 5.90 2.79 0.55 0.00 -1.26 -4.88 105.19 109.18 1fhs n GLY 42 Ca 0.14 -2.21 -0.30 0.00 0.00 0.00 0.00 46.02 43.66 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 -2.91 4.11 -0.09 1.61 1.01 -1.21 -4.93 116.67 114.25 1fhs s ASP 43 Ca 0.53 -1.68 -0.01 0.00 0.71 0.00 0.00 52.55 52.10 1fhs s ASP 43 Cb 0.43 -1.00 0.03 0.00 1.01 0.00 0.00 42.92 43.39 1fhs s ASP 43 CO 0.01 -0.40 -0.04 -0.36 0.21 0.00 0.00 175.17 174.59 1fhs s PHE 44 N 1.49 1.09 -0.13 4.23 0.08 -1.26 -3.26 117.98 120.22 1fhs s PHE 44 Ca 0.09 -0.45 0.02 0.00 0.12 0.00 0.00 56.93 56.71 1fhs s PHE 44 Cb -0.18 -1.00 0.00 0.00 -0.57 0.00 0.00 43.02 41.28 1fhs s PHE 44 CO -0.21 -0.40 -0.21 -1.54 -0.10 0.00 0.00 175.22 172.76 1fhs s SER 45 N 1.69 3.25 -0.36 1.36 1.04 -1.20 0.11 113.70 119.59 1fhs s SER 45 Ca 0.03 -0.56 -0.21 0.00 0.48 0.00 0.00 55.95 55.69 1fhs s SER 45 Cb -0.13 -1.47 0.00 0.00 0.10 0.00 0.00 66.02 64.53 1fhs s SER 45 CO -0.06 0.10 0.66 -0.22 0.98 0.00 0.00 173.24 174.71 1fhs s LEU 46 N 0.68 4.25 0.10 2.42 0.20 0.87 -2.93 118.68 124.27 1fhs s LEU 46 Ca -0.10 0.15 -0.03 0.00 0.69 0.00 0.00 54.13 54.84 1fhs s LEU 46 Cb -0.16 -2.82 -0.05 0.00 -0.43 0.00 0.00 46.19 42.73 1fhs s LEU 46 CO 0.01 -0.63 0.31 -0.44 -0.29 0.00 0.00 176.35 175.31 1fhs s SER 47 N 1.81 6.44 -0.00 3.68 0.01 0.69 0.51 113.70 126.84 1fhs s SER 47 Ca 0.25 0.47 -0.01 0.00 1.31 0.00 0.00 55.95 57.97 1fhs s SER 47 Cb -0.14 -2.04 -0.00 0.00 0.21 0.00 0.00 66.02 64.04 1fhs s SER 47 CO 0.15 0.11 0.02 -0.69 0.41 0.00 0.00 173.24 173.25 1fhs s VAL 48 N -1.57 0.02 -0.74 3.43 1.01 0.19 -1.80 120.40 120.93 1fhs s VAL 48 Ca 0.38 -0.14 -0.26 0.00 0.00 0.00 0.00 61.98 61.96 1fhs s VAL 48 Cb -0.13 -0.08 -0.00 0.00 0.00 0.00 0.00 36.38 36.17 1fhs s VAL 48 CO 0.25 -0.08 1.67 -0.75 0.00 0.00 0.00 175.10 176.19 1fhs s LYS 49 N -0.22 2.88 -0.28 2.72 2.47 0.27 -0.86 119.74 126.72 1fhs s LYS 49 Ca -0.02 0.03 -0.00 0.00 -1.56 0.00 0.00 55.97 54.42 1fhs s LYS 49 Cb -0.02 -4.54 0.05 0.00 -1.46 0.00 0.00 37.83 31.86 1fhs s LYS 49 CO -0.00 -2.62 -0.04 0.12 0.16 0.00 0.00 175.35 172.97 1fhs s PHE 50 N 7.86 3.25 0.17 4.03 5.36 -0.90 -1.16 117.98 136.59 1fhs s PHE 50 Ca 0.56 -1.99 -0.13 0.00 -0.96 0.00 0.00 56.93 54.41 1fhs s PHE 50 Cb -0.09 -2.04 -0.09 0.00 -0.34 0.00 0.00 43.02 40.46 1fhs s PHE 50 CO 0.12 -0.82 0.15 0.41 -1.46 0.00 0.00 175.22 173.62 1fhs n GLY 51 N 4.57 -1.26 3.40 13.12 0.00 -1.26 0.47 105.19 124.22 1fhs n GLY 51 Ca -0.14 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 1.20 0.00 0.00 1.61 5.15 -1.26 -4.84 115.26 117.13 1fhs n ASN 52 Ca 0.08 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.06 1fhs n ASN 52 Cb 0.18 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.43 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 0.74 0.37 -3.91 1.20 2.03 0.18 -5.14 116.55 112.02 1fhs n ASP 53 Ca 0.00 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.04 1fhs n ASP 53 Cb 0.00 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.23 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 -0.68 1.06 0.43 5.18 1.01 -1.25 -2.12 120.40 124.03 1fhs s VAL 54 Ca 0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 61.98 61.62 1fhs s VAL 54 Cb 0.00 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 1fhs s VAL 54 CO 0.00 0.36 0.69 -1.58 0.00 0.00 0.00 175.10 174.57 1fhs s GLN 55 N 1.69 3.52 -0.05 2.72 0.74 -0.04 -4.86 119.66 123.38 1fhs s GLN 55 Ca 0.05 -0.00 -0.09 0.00 0.05 0.00 0.00 55.36 55.36 1fhs s GLN 55 Cb -0.13 -2.49 0.02 0.00 1.10 0.00 0.00 33.01 31.51 1fhs s GLN 55 CO -0.08 -0.07 0.23 -3.38 -0.55 0.00 0.00 175.29 171.43 1fhs s HIS 56 N -2.58 -0.15 -0.19 1.67 -3.43 -1.26 0.54 115.29 109.89 1fhs s HIS 56 Ca 0.45 0.33 -0.03 0.00 -0.80 0.00 0.00 55.06 55.01 1fhs s HIS 56 Cb -0.10 0.05 0.06 0.00 -1.43 0.00 0.00 32.58 31.16 1fhs s HIS 56 CO 0.41 -0.23 0.03 -0.06 -2.00 0.00 0.00 174.74 172.89 1fhs s PHE 57 N -0.65 1.10 -0.16 0.38 0.08 0.18 -4.95 117.98 113.97 1fhs s PHE 57 Ca -0.07 -0.89 -0.29 0.00 0.12 0.00 0.00 56.93 55.80 1fhs s PHE 57 Cb -0.04 -1.05 -0.04 0.00 -0.57 0.00 0.00 43.02 41.31 1fhs s PHE 57 CO 0.02 -0.61 1.80 0.15 -0.10 0.00 0.00 175.22 176.48 1fhs s LYS 58 N 1.83 3.76 -0.67 0.44 1.02 -1.26 -0.09 119.74 124.76 1fhs s LYS 58 Ca -0.01 1.95 -0.27 0.00 0.02 0.00 0.00 55.97 57.66 1fhs s LYS 58 Cb -0.17 -4.12 0.02 0.00 -0.52 0.00 0.00 37.83 33.04 1fhs s LYS 58 CO -0.08 -1.36 1.32 0.08 -0.92 0.00 0.00 175.35 174.39 1fhs s VAL 59 N 5.59 3.77 0.00 3.17 1.01 0.30 -4.68 120.40 129.56 1fhs s VAL 59 Ca 0.80 0.54 0.00 0.00 0.00 0.00 0.00 61.98 63.32 1fhs s VAL 59 Cb -0.30 -4.75 0.00 0.00 0.00 0.00 0.00 36.38 31.33 1fhs s VAL 59 CO 0.33 -1.59 0.00 0.18 0.00 0.00 0.00 175.10 174.02 1fhs n LEU 60 N 9.44 0.00 0.00 3.92 4.77 -0.59 -4.05 117.00 130.48 1fhs n LEU 60 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1fhs n LEU 60 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1fhs n LEU 60 CO 0.71 -0.40 0.00 -1.14 -1.33 0.00 0.00 177.39 175.23 1fhs n ARG 61 N -0.79 0.00 -1.98 3.23 3.00 -1.26 -2.80 116.66 116.06 1fhs n ARG 61 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1fhs n ARG 61 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1fhs n ARG 61 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1fhs n ASP 62 N 8.67 -6.20 0.00 6.15 5.68 0.12 -4.87 116.55 126.10 1fhs n ASP 62 Ca 0.00 1.34 0.00 0.00 -0.50 0.00 0.00 54.79 55.63 1fhs n ASP 62 Cb 0.00 -4.00 0.00 0.00 -1.14 0.00 0.00 41.12 35.98 1fhs n ASP 62 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1fhs n GLY 63 N 1.84 4.17 0.00 6.12 0.00 -1.26 -4.86 105.19 111.20 1fhs n GLY 63 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 1.98 -1.09 4.61 0.00 -1.26 -4.87 120.51 119.88 1fhs n ALA 64 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1fhs n ALA 64 Cb 0.00 0.03 0.25 0.00 0.00 0.00 0.00 19.45 19.73 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 1.61 4.21 7.00 0.00 0.00 -1.26 -5.09 105.19 111.67 1fhs n GLY 65 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1fhs n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fhs n LYS 66 N -0.64 0.00 -3.58 1.61 5.02 -1.26 -4.68 118.16 114.63 1fhs n LYS 66 Ca 0.25 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 56.16 1fhs n LYS 66 Cb 0.95 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.89 1fhs n LYS 66 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1fhs s TYR 67 N 0.00 3.68 0.03 2.13 1.51 -1.19 0.16 117.35 123.66 1fhs s TYR 67 Ca 0.00 0.86 -0.02 0.00 -1.01 0.00 0.00 57.07 56.90 1fhs s TYR 67 Cb 0.00 -2.22 -0.02 0.00 -0.11 0.00 0.00 41.96 39.61 1fhs s TYR 67 CO 0.00 0.62 0.01 -0.59 -1.11 0.00 0.00 175.55 174.49 1fhs s PHE 68 N -0.91 0.26 0.00 2.71 -0.12 -1.12 0.15 117.98 118.95 1fhs s PHE 68 Ca 0.21 -0.56 0.00 0.00 -0.05 0.00 0.00 56.93 56.53 1fhs s PHE 68 Cb -0.15 -0.20 0.00 0.00 -0.63 0.00 0.00 43.02 42.04 1fhs s PHE 68 CO 0.11 -0.26 0.00 1.28 -0.05 0.00 0.00 175.22 176.29 1fhs n LEU 69 N 1.21 0.60 -0.06 -1.99 4.77 -1.26 -1.54 117.00 118.73 1fhs n LEU 69 Ca -0.21 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.55 1fhs n LEU 69 Cb 0.57 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.53 1fhs n LEU 69 CO 0.22 0.00 -0.75 0.79 -1.33 0.00 0.00 177.39 176.32 1fhs n TRP 70 N -0.43 1.03 0.00 -1.77 7.02 -1.26 -4.77 117.44 117.26 1fhs n TRP 70 Ca 0.00 0.31 0.00 0.00 -1.02 0.00 0.00 57.50 56.79 1fhs n TRP 70 Cb 0.00 -1.12 0.00 0.00 -2.42 0.00 0.00 31.31 27.77 1fhs n TRP 70 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 1fhs n VAL 71 N -3.92 0.00 -1.65 -0.99 0.31 -1.26 -5.09 118.33 105.73 1fhs n VAL 71 Ca -0.34 0.00 -0.46 0.00 -0.01 0.00 0.00 64.34 63.52 1fhs n VAL 71 Cb 0.88 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.78 1fhs n VAL 71 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1fhs n VAL 72 N -0.29 0.47 -0.48 2.52 0.24 -1.26 -4.81 118.33 114.72 1fhs n VAL 72 Ca 0.00 -0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 1fhs n VAL 72 Cb 0.00 -1.36 0.00 0.00 -1.47 0.00 0.00 33.84 31.01 1fhs n VAL 72 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1fhs n LYS 73 N 2.58 0.98 -3.69 7.34 2.85 -1.26 -4.00 118.16 122.96 1fhs n LYS 73 Ca 0.15 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.28 1fhs n LYS 73 Cb 0.28 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.57 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 0.00 -0.64 -1.91 5.58 0.08 0.40 -4.89 117.98 116.62 1fhs s PHE 74 Ca 0.00 1.48 0.09 0.00 0.12 0.00 0.00 56.93 58.61 1fhs s PHE 74 Cb 0.00 0.26 0.50 0.00 -0.57 0.00 0.00 43.02 43.21 1fhs s PHE 74 CO 0.00 -0.32 1.00 0.27 -0.10 0.00 0.00 175.22 176.07 1fhs n ASN 75 N 3.18 0.00 0.00 1.36 0.23 -1.26 -3.17 115.26 115.60 1fhs n ASN 75 Ca -0.16 -0.20 0.00 0.00 -0.53 0.00 0.00 54.58 53.69 1fhs n ASN 75 Cb 0.56 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 38.22 1fhs n ASN 75 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1fhs n SER 76 N -1.05 0.00 -0.34 0.53 3.41 -1.26 -4.94 113.62 109.97 1fhs n SER 76 Ca 0.06 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 58.86 1fhs n SER 76 Cb 0.04 0.00 0.41 0.00 -0.26 0.00 0.00 64.21 64.39 1fhs n SER 76 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1fhs h LEU 77 N 0.00 0.59 -1.19 1.04 3.38 -1.96 1.22 115.31 118.40 1fhs h LEU 77 Ca 0.00 0.16 0.11 0.00 0.09 0.00 0.00 57.88 58.23 1fhs h LEU 77 Cb 0.00 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.76 1fhs h LEU 77 CO 0.00 0.02 0.58 0.78 0.09 0.00 0.00 178.44 179.91 1fhs h ASN 78 N 0.48 0.79 0.82 -0.43 2.35 -1.97 0.60 115.58 118.22 1fhs h ASN 78 Ca 0.66 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 56.40 1fhs h ASN 78 Cb 1.35 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.57 1fhs h ASN 78 CO -0.52 0.45 -0.20 -0.08 -1.65 0.00 0.00 177.43 175.43 1fhs h GLU 79 N 0.87 0.00 -0.02 0.81 4.81 0.11 0.63 114.58 121.80 1fhs h GLU 79 Ca 0.43 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.64 1fhs h GLU 79 Cb 0.46 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1fhs h GLU 79 CO -0.19 0.20 -0.04 1.25 -0.73 0.00 0.00 179.01 179.50 1fhs h LEU 80 N 0.00 0.07 -1.16 1.64 6.46 0.12 0.87 115.31 123.31 1fhs h LEU 80 Ca -0.00 -0.60 -0.02 0.00 -0.12 0.00 0.00 57.88 57.14 1fhs h LEU 80 Cb 0.66 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.54 1fhs h LEU 80 CO 0.03 0.65 0.31 0.58 -0.62 0.00 0.00 178.44 179.39 1fhs h VAL 81 N -0.52 1.20 -0.06 1.05 2.07 -0.22 0.18 116.25 119.96 1fhs h VAL 81 Ca -0.00 -0.56 -0.23 0.00 0.82 0.00 0.00 66.70 66.73 1fhs h VAL 81 Cb 0.64 0.38 0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1fhs h VAL 81 CO 0.01 0.24 -0.87 0.44 0.02 0.00 0.00 177.57 177.40 1fhs h ASP 82 N 0.90 0.73 0.19 0.57 3.32 0.32 -2.88 116.42 119.57 1fhs h ASP 82 Ca 0.22 -0.53 -0.01 0.00 0.02 0.00 0.00 57.03 56.73 1fhs h ASP 82 Cb 0.08 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.41 1fhs h ASP 82 CO -0.03 1.32 -0.09 0.22 -1.72 0.00 0.00 179.24 178.94 1fhs h TYR 83 N 0.37 -0.23 -0.33 4.55 5.03 0.13 -2.32 116.97 124.17 1fhs h TYR 83 Ca -0.07 -0.01 -0.22 0.00 2.58 0.00 0.00 58.73 61.01 1fhs h TYR 83 Cb 1.50 0.08 -0.09 0.00 1.55 0.00 0.00 36.73 39.76 1fhs h TYR 83 CO 0.07 0.03 0.26 0.72 -1.32 0.00 0.00 178.16 177.93 1fhs n HIS 84 N -5.10 1.01 0.02 -3.82 8.25 0.60 -4.12 115.22 112.05 1fhs n HIS 84 Ca -0.09 -1.65 -0.12 0.00 -0.26 0.00 0.00 57.72 55.60 1fhs n HIS 84 Cb 0.20 -0.84 -0.00 0.00 1.12 0.00 0.00 29.99 30.47 1fhs n HIS 84 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1fhs h ARG 85 N 1.41 0.56 0.00 -0.41 2.43 -1.18 -3.22 114.38 113.96 1fhs h ARG 85 Ca 0.20 -0.45 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 1fhs h ARG 85 Cb 0.95 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1fhs h ARG 85 CO 0.51 1.07 -0.16 0.43 -1.51 0.00 0.00 179.97 180.31 1fhs n SER 86 N -3.88 0.78 -0.83 -3.80 7.64 -1.26 -3.77 113.62 108.50 1fhs n SER 86 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.83 1fhs n SER 86 Cb 0.71 0.10 0.00 0.00 -1.01 0.00 0.00 64.21 64.01 1fhs n SER 86 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1fhs n THR 87 N -0.58 0.35 -0.80 0.44 5.66 -1.26 -4.84 114.28 113.24 1fhs n THR 87 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1fhs n THR 87 Cb 0.05 -0.60 0.00 0.00 -1.55 0.00 0.00 70.33 68.24 1fhs n THR 87 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1fhs n SER 88 N 0.57 -0.80 -1.92 1.09 3.41 -1.11 -4.84 113.62 110.02 1fhs n SER 88 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.60 1fhs n SER 88 Cb 0.22 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1fhs n SER 88 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1fhs n VAL 89 N -0.21 0.00 -3.04 -3.33 3.14 -1.26 -4.80 118.33 108.83 1fhs n VAL 89 Ca 0.00 -0.23 0.04 0.00 -2.96 0.00 0.00 64.34 61.19 1fhs n VAL 89 Cb 0.00 0.54 0.00 0.00 -1.06 0.00 0.00 33.84 33.32 1fhs n VAL 89 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1fhs s SER 90 N -0.08 -0.39 0.00 6.55 0.15 -1.26 -4.91 113.70 113.76 1fhs s SER 90 Ca 0.01 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.63 1fhs s SER 90 Cb 0.03 1.01 0.00 0.00 -1.71 0.00 0.00 66.02 65.35 1fhs s SER 90 CO -0.01 -0.06 0.00 0.54 1.20 0.00 0.00 173.24 174.91 1fhs n ARG 91 N 4.67 -0.71 -2.23 5.44 1.74 -1.26 -1.89 116.66 122.42 1fhs n ARG 91 Ca 0.08 0.14 -0.17 0.00 -0.77 0.00 0.00 57.85 57.14 1fhs n ARG 91 Cb 0.59 -4.02 -0.02 0.00 -1.02 0.00 0.00 32.46 28.00 1fhs n ARG 91 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1fhs n ASN 92 N -0.06 -4.98 -4.15 0.55 4.13 -1.26 -4.96 115.26 104.53 1fhs n ASN 92 Ca 0.00 0.03 -0.36 0.00 1.68 0.00 0.00 54.58 55.93 1fhs n ASN 92 Cb 0.14 -4.07 -0.12 0.00 -1.54 0.00 0.00 39.78 34.19 1fhs n ASN 92 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1fhs s GLN 93 N -4.69 2.16 0.00 3.52 -2.07 -0.79 -4.89 119.66 112.91 1fhs s GLN 93 Ca 0.00 -1.61 0.00 0.00 -1.82 0.00 0.00 55.36 51.93 1fhs s GLN 93 Cb 0.00 -3.45 0.00 0.00 -1.09 0.00 0.00 33.01 28.47 1fhs s GLN 93 CO 0.00 -0.91 0.00 0.94 -1.32 0.00 0.00 175.29 174.00 1fhs n GLN 94 N 4.61 -0.39 -3.67 9.60 0.00 -1.26 -4.94 117.38 121.34 1fhs n GLN 94 Ca -0.06 0.75 -0.11 0.00 -0.00 0.00 0.00 57.00 57.57 1fhs n GLN 94 Cb 0.42 -0.83 -0.11 0.00 0.00 0.00 0.00 30.24 29.72 1fhs n GLN 94 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1fhs s ILE 95 N -0.71 -0.48 -0.00 1.69 -1.09 -1.26 -4.88 121.20 114.46 1fhs s ILE 95 Ca 0.00 0.22 0.00 0.00 -2.23 0.00 0.00 60.65 58.64 1fhs s ILE 95 Cb 0.00 -0.55 0.00 0.00 -1.58 0.00 0.00 42.46 40.34 1fhs s ILE 95 CO 0.00 0.09 -0.01 -0.36 -1.23 0.00 0.00 174.94 173.43 1fhs s PHE 96 N 2.40 0.14 -0.81 3.97 0.40 -1.26 -2.77 117.98 120.05 1fhs s PHE 96 Ca -0.01 -0.02 -0.20 0.00 -0.60 0.00 0.00 56.93 56.10 1fhs s PHE 96 Cb -0.12 -0.10 0.11 0.00 0.51 0.00 0.00 43.02 43.42 1fhs s PHE 96 CO -0.11 -0.01 1.03 -0.51 0.70 0.00 0.00 175.22 176.33 1fhs s LEU 97 N 0.02 4.90 -0.03 -0.37 1.43 -1.22 -3.64 118.68 119.78 1fhs s LEU 97 Ca 0.00 -1.67 -0.16 0.00 -1.03 0.00 0.00 54.13 51.28 1fhs s LEU 97 Cb -0.01 -2.39 -0.05 0.00 0.03 0.00 0.00 46.19 43.76 1fhs s LEU 97 CO -0.00 -1.18 0.43 -0.13 0.23 0.00 0.00 176.35 175.70 1fhs s ARG 98 N 3.09 4.05 -0.28 1.70 0.52 -1.11 -4.93 118.95 121.99 1fhs s ARG 98 Ca 0.27 0.43 -0.39 0.00 -0.52 0.00 0.00 55.73 55.52 1fhs s ARG 98 Cb -0.10 -3.28 -0.15 0.00 0.52 0.00 0.00 34.95 31.94 1fhs s ARG 98 CO -0.02 0.55 1.81 -0.25 0.02 0.00 0.00 175.30 177.41 1fhs n ASP 99 N 2.30 2.41 -0.86 0.23 8.00 -1.26 -2.90 116.55 124.47 1fhs n ASP 99 Ca -0.12 0.99 0.00 0.00 0.71 0.00 0.00 54.79 56.37 1fhs n ASP 99 Cb 0.52 -1.16 0.00 0.00 -0.02 0.00 0.00 41.12 40.46 1fhs n ASP 99 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fhs n ILE 100 N 4.97 0.40 -3.49 0.53 3.06 -1.25 -4.47 119.36 119.11 1fhs n ILE 100 Ca 0.29 0.00 -0.11 0.00 -2.50 0.00 0.00 62.75 60.43 1fhs n ILE 100 Cb 0.15 -0.64 -0.10 0.00 0.54 0.00 0.00 39.64 39.59 1fhs n ILE 100 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 1fhs s GLU 101 N 0.04 0.29 1.08 9.51 0.41 -1.26 -4.95 118.70 123.82 1fhs s GLU 101 Ca 0.00 0.66 -0.18 0.00 -0.41 0.00 0.00 54.97 55.04 1fhs s GLU 101 Cb 0.00 -0.28 0.27 0.00 -1.78 0.00 0.00 34.13 32.34 1fhs s GLU 101 CO 0.00 -0.49 0.81 1.04 -0.49 0.00 0.00 175.26 176.13 1fhs n GLN 102 N 5.36 -3.43 -1.49 1.61 1.13 -1.26 -4.85 117.38 114.45 1fhs n GLN 102 Ca -0.05 -1.32 -0.48 0.00 -1.94 0.00 0.00 57.00 53.21 1fhs n GLN 102 Cb 0.50 -1.42 -0.03 0.00 0.11 0.00 0.00 30.24 29.40 1fhs n GLN 102 CO 0.00 0.00 0.00 1.55 -1.44 0.00 0.00 177.06 177.17 1fhs n VAL 103 N -4.79 1.71 0.00 5.09 3.14 -1.26 -4.94 118.33 117.28 1fhs n VAL 103 Ca 0.12 -0.43 0.00 0.00 -2.96 0.00 0.00 64.34 61.07 1fhs n VAL 103 Cb 0.48 -0.45 0.00 0.00 -1.06 0.00 0.00 33.84 32.81 1fhs n VAL 103 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1fhs n PRO 104 N 1.05 0.00 -3.10 1.45 -0.02 -1.26 -4.86 135.00 128.26 1fhs n PRO 104 Ca 0.15 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.44 1fhs n PRO 104 Cb 0.26 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.70 1fhs n PRO 104 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1fhs n GLN 105 N 0.00 0.55 -2.68 -0.52 6.02 -1.26 -4.93 117.38 114.56 1fhs n GLN 105 Ca 0.00 -2.74 -0.05 0.00 -0.01 0.00 0.00 57.00 54.20 1fhs n GLN 105 Cb 0.00 -1.43 0.05 0.00 1.02 0.00 0.00 30.24 29.88 1fhs n GLN 105 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1fhs n GLN 106 N 2.09 0.59 -2.13 -1.09 -0.00 -1.26 -5.05 117.38 110.53 1fhs n GLN 106 Ca 0.21 -1.17 -0.42 0.00 -0.00 0.00 0.00 57.00 55.62 1fhs n GLN 106 Cb 0.54 -0.09 -0.03 0.00 -0.00 0.00 0.00 30.24 30.66 1fhs n GLN 106 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1fhs s PRO 107 N 0.10 4.25 0.00 2.61 0.04 -1.26 -4.81 135.00 135.93 1fhs s PRO 107 Ca 0.12 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.24 1fhs s PRO 107 Cb 0.21 -3.61 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1fhs s PRO 107 CO -0.06 -0.64 0.00 -2.37 0.04 0.00 0.00 177.00 173.97 1fhs n THR 108 N 4.75 0.00 -4.18 1.26 5.66 -1.26 -4.92 114.28 115.59 1fhs n THR 108 Ca 0.14 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.88 1fhs n THR 108 Cb 0.43 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 69.04 1fhs n THR 108 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1fhs s TYR 109 N 0.00 1.60 -0.24 1.09 5.04 -1.26 -5.10 117.35 118.48 1fhs s TYR 109 Ca 0.00 -0.75 -0.07 0.00 -2.44 0.00 0.00 57.07 53.81 1fhs s TYR 109 Cb 0.00 -1.24 -0.03 0.00 0.35 0.00 0.00 41.96 41.04 1fhs s TYR 109 CO 0.00 -0.46 0.07 0.54 -1.34 0.00 0.00 175.55 174.36 1fhs s VAL 110 N 1.29 4.36 0.00 3.14 0.11 -1.26 -5.08 120.40 122.95 1fhs s VAL 110 Ca -0.02 -0.16 0.00 0.00 -2.93 0.00 0.00 61.98 58.87 1fhs s VAL 110 Cb -0.14 -3.03 0.00 0.00 -1.53 0.00 0.00 36.38 31.69 1fhs s VAL 110 CO -0.04 0.36 0.00 0.00 -3.33 0.00 0.00 175.10 172.09 1fhs n GLN 111 N 4.72 1.58 0.00 1.54 0.00 -1.26 -5.33 117.38 118.63 1fhs n GLN 111 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.84 1fhs n GLN 111 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.76 1fhs n GLN 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06