#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 0.21 -3.97 -0.61 3.06 -1.26 -4.85 119.36 111.95 1fhs n ILE 2 Ca 0.00 -0.04 -0.35 0.00 -2.50 0.00 0.00 62.75 59.86 1fhs n ILE 2 Cb 0.00 -1.03 -0.13 0.00 0.54 0.00 0.00 39.64 39.02 1fhs n ILE 2 CO 0.00 0.00 0.00 -0.70 -2.50 0.00 0.00 176.55 173.35 1fhs s GLU 3 N 2.92 3.62 -0.23 9.51 2.56 -1.26 -5.07 118.70 130.75 1fhs s GLU 3 Ca 0.97 -0.51 -0.05 0.00 0.00 0.00 0.00 54.97 55.38 1fhs s GLU 3 Cb -1.11 -3.15 -0.02 0.00 2.00 0.00 0.00 34.13 31.85 1fhs s GLU 3 CO 0.65 -0.05 -0.01 1.41 -0.56 0.00 0.00 175.26 176.70 1fhs s MET 4 N 1.19 3.47 0.17 4.30 -2.45 -1.26 -4.98 119.30 119.74 1fhs s MET 4 Ca 0.03 -0.58 -0.03 0.00 -1.25 0.00 0.00 55.69 53.87 1fhs s MET 4 Cb -0.14 -3.10 0.01 0.00 1.25 0.00 0.00 34.83 32.84 1fhs s MET 4 CO 0.02 -0.18 0.28 0.36 1.05 0.00 0.00 175.02 176.54 1fhs n LYS 5 N 4.80 0.40 -1.68 4.11 2.85 -1.26 -5.11 118.16 122.26 1fhs n LYS 5 Ca -0.18 -1.26 -0.49 0.00 -1.05 0.00 0.00 58.31 55.33 1fhs n LYS 5 Cb 0.51 1.30 -0.05 0.00 -0.65 0.00 0.00 35.03 36.15 1fhs n LYS 5 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1fhs n PRO 6 N -0.27 2.04 -1.02 -1.58 -0.02 -1.26 -4.84 135.00 128.05 1fhs n PRO 6 Ca -0.01 0.75 -0.33 0.00 -2.02 0.00 0.00 63.50 61.88 1fhs n PRO 6 Cb 0.28 -2.56 0.02 0.00 -0.02 0.00 0.00 33.50 31.22 1fhs n PRO 6 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1fhs n HIS 7 N 6.03 -3.14 -1.52 6.00 1.44 -1.26 -4.62 115.22 118.14 1fhs n HIS 7 Ca 0.22 0.26 -0.55 0.00 -2.01 0.00 0.00 57.72 55.65 1fhs n HIS 7 Cb 0.27 -1.40 -0.07 0.00 0.12 0.00 0.00 29.99 28.92 1fhs n HIS 7 CO 0.00 0.00 0.00 -2.30 -2.81 0.00 0.00 176.34 171.23 1fhs n PRO 8 N 1.57 0.43 -1.01 -1.40 -0.02 -1.26 -2.34 135.00 130.98 1fhs n PRO 8 Ca 0.04 0.16 -0.06 0.00 -2.02 0.00 0.00 63.50 61.61 1fhs n PRO 8 Cb 0.43 -1.64 -0.03 0.00 -0.02 0.00 0.00 33.50 32.24 1fhs n PRO 8 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1fhs n TRP 9 N 1.62 -0.36 -3.48 6.00 4.27 -1.26 -4.88 117.44 119.35 1fhs n TRP 9 Ca 0.19 0.00 -0.39 0.00 -3.89 0.00 0.00 57.50 53.41 1fhs n TRP 9 Cb 0.14 -1.83 -0.10 0.00 -1.36 0.00 0.00 31.31 28.16 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 -1.37 3.23 -0.26 -2.67 2.19 -0.99 -0.10 117.98 118.01 1fhs s PHE 10 Ca 0.00 0.21 0.02 0.00 0.33 0.00 0.00 56.93 57.49 1fhs s PHE 10 Cb 0.00 -2.51 0.06 0.00 -1.31 0.00 0.00 43.02 39.27 1fhs s PHE 10 CO 0.00 -0.24 -0.08 -0.06 1.83 0.00 0.00 175.22 176.68 1fhs s PHE 11 N 1.93 3.01 0.10 10.12 0.40 -0.99 -4.82 117.98 127.73 1fhs s PHE 11 Ca 0.11 -2.19 -0.31 0.00 -0.60 0.00 0.00 56.93 53.94 1fhs s PHE 11 Cb -0.16 -1.89 -0.08 0.00 0.51 0.00 0.00 43.02 41.40 1fhs s PHE 11 CO 0.11 -0.85 1.40 0.20 0.70 0.00 0.00 175.22 176.77 1fhs s GLY 12 N 1.18 1.95 -0.48 4.36 0.00 -1.26 -2.73 107.32 110.34 1fhs s GLY 12 Ca -0.06 1.09 -0.02 0.00 0.00 0.00 0.00 44.72 45.73 1fhs s GLY 12 CO -0.06 2.38 0.04 1.17 0.00 0.00 0.00 173.10 176.63 1fhs n LYS 13 N 4.20 -0.97 -2.49 2.90 4.81 -0.48 -4.79 118.16 121.35 1fhs n LYS 13 Ca 0.12 0.03 -0.41 0.00 -0.87 0.00 0.00 58.31 57.17 1fhs n LYS 13 Cb 0.42 -1.13 -0.04 0.00 0.02 0.00 0.00 35.03 34.31 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 -3.00 3.94 0.05 3.15 1.10 -1.24 -4.96 121.20 120.24 1fhs s ILE 14 Ca 0.06 1.58 -0.30 0.00 -0.51 0.00 0.00 60.65 61.47 1fhs s ILE 14 Cb -0.03 -4.01 -0.08 0.00 0.15 0.00 0.00 42.46 38.49 1fhs s ILE 14 CO 0.30 0.23 1.62 -2.16 -2.11 0.00 0.00 174.94 172.82 1fhs s PRO 15 N 0.07 4.21 0.25 3.50 0.04 -1.26 -4.77 135.00 137.04 1fhs s PRO 15 Ca 0.52 2.27 0.12 0.00 0.04 0.00 0.00 61.00 63.95 1fhs s PRO 15 Cb -0.29 -3.64 0.86 0.00 0.04 0.00 0.00 34.50 31.47 1fhs s PRO 15 CO 0.33 -0.73 1.12 0.54 0.04 0.00 0.00 177.00 178.31 1fhs n ARG 16 N 5.73 -0.05 0.00 4.56 1.74 -1.26 0.61 116.66 128.00 1fhs n ARG 16 Ca 0.16 1.00 0.00 0.00 -0.77 0.00 0.00 57.85 58.24 1fhs n ARG 16 Cb 0.41 -1.75 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 1fhs n ARG 16 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1fhs n ALA 17 N -2.68 -0.29 -0.33 7.54 0.00 -1.26 -0.58 120.51 122.92 1fhs n ALA 17 Ca 0.25 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.74 1fhs n ALA 17 Cb 0.83 0.12 0.14 0.00 0.00 0.00 0.00 19.45 20.54 1fhs n ALA 17 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1fhs h LYS 18 N 0.00 0.01 -0.31 0.00 1.63 -0.20 0.60 116.57 118.29 1fhs h LYS 18 Ca 0.00 -0.00 0.05 0.00 -0.85 0.00 0.00 60.65 59.85 1fhs h LYS 18 Cb 0.00 -0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 31.55 1fhs h LYS 18 CO 0.00 0.00 -0.50 0.00 -3.45 0.00 0.00 179.45 175.51 1fhs h ALA 19 N 1.91 -0.67 -0.40 5.00 0.00 -0.66 0.20 119.26 124.65 1fhs h ALA 19 Ca 0.46 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.46 1fhs h ALA 19 Cb 0.73 0.98 -0.09 0.00 0.00 0.00 0.00 17.79 19.42 1fhs h ALA 19 CO -0.93 -0.98 -0.21 0.93 0.00 0.00 0.00 179.25 178.06 1fhs h GLU 20 N -0.43 -0.14 0.00 0.00 5.08 0.25 0.60 114.58 119.95 1fhs h GLU 20 Ca 0.09 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1fhs h GLU 20 Cb 0.62 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1fhs h GLU 20 CO -0.53 -0.09 0.00 0.39 -1.00 0.00 0.00 179.01 177.78 1fhs n GLU 21 N -5.38 0.00 -0.34 2.33 1.02 0.83 0.14 120.64 119.25 1fhs n GLU 21 Ca 0.02 0.09 0.23 0.00 -0.02 0.00 0.00 57.16 57.48 1fhs n GLU 21 Cb 0.29 -0.91 0.46 0.00 -0.02 0.00 0.00 31.44 31.27 1fhs n GLU 21 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1fhs h MET 22 N 0.00 0.36 -0.09 3.49 -0.00 -0.81 1.22 114.93 119.10 1fhs h MET 22 Ca 0.00 -0.02 -0.10 0.00 -0.00 0.00 0.00 59.70 59.58 1fhs h MET 22 Cb 0.00 -0.08 -0.01 0.00 -0.00 0.00 0.00 31.60 31.51 1fhs h MET 22 CO 0.00 0.24 -0.39 1.25 -0.00 0.00 0.00 176.91 178.01 1fhs h LEU 23 N 0.37 0.21 -0.74 -0.10 5.85 -0.73 -2.53 115.31 117.65 1fhs h LEU 23 Ca 0.72 -0.08 -0.12 0.00 0.84 0.00 0.00 57.88 59.24 1fhs h LEU 23 Cb 1.59 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.55 1fhs h LEU 23 CO -0.58 0.59 -0.33 0.28 -0.34 0.00 0.00 178.44 178.06 1fhs h SER 24 N 0.17 0.61 0.00 1.25 0.02 1.02 -2.95 113.55 113.67 1fhs h SER 24 Ca 0.02 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1fhs h SER 24 Cb 0.77 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.15 1fhs h SER 24 CO 0.06 0.89 0.00 0.29 -1.14 0.00 0.00 176.83 176.93 1fhs n LYS 25 N -4.07 0.60 -3.89 3.45 5.02 -0.47 -4.75 118.16 114.05 1fhs n LYS 25 Ca -0.01 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.93 1fhs n LYS 25 Cb 0.47 -1.20 -0.08 0.00 -0.02 0.00 0.00 35.03 34.20 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 0.53 3.91 -0.02 1.97 -1.52 -1.12 -4.98 119.66 118.45 1fhs s GLN 26 Ca 0.00 -0.26 -0.17 0.00 -1.95 0.00 0.00 55.36 52.98 1fhs s GLN 26 Cb 0.00 -3.27 -0.33 0.00 -0.22 0.00 0.00 33.01 29.19 1fhs s GLN 26 CO 0.00 0.40 0.88 0.00 -0.25 0.00 0.00 175.29 176.32 1fhs h ARG 27 N 6.28 0.42 -5.21 2.91 3.08 -1.91 -3.42 114.38 116.53 1fhs h ARG 27 Ca -0.43 -0.71 -0.67 0.00 0.07 0.00 0.00 59.98 58.25 1fhs h ARG 27 Cb 1.17 0.26 -0.16 0.00 0.08 0.00 0.00 29.97 31.32 1fhs h ARG 27 CO 0.70 1.34 0.14 -1.01 -1.07 0.00 0.00 179.97 180.06 1fhs s HIS 28 N -2.53 3.02 -0.02 3.04 3.76 -1.26 -4.99 115.29 116.31 1fhs s HIS 28 Ca -0.12 -0.33 -0.35 0.00 -0.15 0.00 0.00 55.06 54.11 1fhs s HIS 28 Cb 0.03 -3.55 -0.13 0.00 1.11 0.00 0.00 32.58 30.04 1fhs s HIS 28 CO 0.88 -1.03 1.73 -0.25 -0.85 0.00 0.00 174.74 175.22 1fhs n ASP 29 N 6.37 3.06 0.00 1.40 8.00 -1.26 -2.53 116.55 131.59 1fhs n ASP 29 Ca -0.04 1.03 0.00 0.00 0.71 0.00 0.00 54.79 56.49 1fhs n ASP 29 Cb 0.46 -1.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.22 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 3.92 1.88 3.54 0.44 0.00 0.77 -4.46 105.19 111.28 1fhs n GLY 30 Ca 0.21 -0.15 -0.48 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 -1.33 -2.50 4.61 0.00 -1.05 -2.26 120.51 117.98 1fhs n ALA 31 Ca 0.00 0.45 -0.09 0.00 0.00 0.00 0.00 53.44 53.80 1fhs n ALA 31 Cb 0.00 -1.91 -0.08 0.00 0.00 0.00 0.00 19.45 17.46 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 -0.56 0.39 -0.01 0.00 -0.71 -1.10 -1.38 117.98 114.62 1fhs s PHE 32 Ca 0.69 -0.81 -0.12 0.00 -1.04 0.00 0.00 56.93 55.65 1fhs s PHE 32 Cb -0.87 -0.16 0.02 0.00 -1.21 0.00 0.00 43.02 40.80 1fhs s PHE 32 CO 0.55 -0.59 0.25 -0.48 -1.34 0.00 0.00 175.22 173.62 1fhs s LEU 33 N -2.94 1.09 -0.27 -1.99 0.05 -0.69 -4.23 118.68 109.71 1fhs s LEU 33 Ca 0.13 -0.02 0.00 0.00 0.05 0.00 0.00 54.13 54.28 1fhs s LEU 33 Cb 0.05 1.07 0.05 0.00 -2.05 0.00 0.00 46.19 45.31 1fhs s LEU 33 CO -0.05 -0.43 -0.07 -0.63 -0.55 0.00 0.00 176.35 174.63 1fhs s ILE 34 N -1.39 2.63 -0.17 1.48 1.01 0.85 -0.16 121.20 125.45 1fhs s ILE 34 Ca -0.14 -1.35 -0.14 0.00 0.00 0.00 0.00 60.65 59.02 1fhs s ILE 34 Cb -0.06 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 1fhs s ILE 34 CO 0.03 0.04 0.32 0.00 0.00 0.00 0.00 174.94 175.33 1fhs s ARG 35 N 1.22 4.25 -0.19 2.79 1.70 -1.14 -2.35 118.95 125.24 1fhs s ARG 35 Ca -0.04 0.13 -0.13 0.00 -0.47 0.00 0.00 55.73 55.22 1fhs s ARG 35 Cb -0.19 -3.45 -0.05 0.00 -0.57 0.00 0.00 34.95 30.70 1fhs s ARG 35 CO -0.04 0.18 0.27 -2.00 -1.08 0.00 0.00 175.30 172.63 1fhs s GLU 36 N 0.65 4.21 0.79 3.89 2.12 -1.10 -3.63 118.70 125.62 1fhs s GLU 36 Ca 0.17 0.01 -0.14 0.00 0.36 0.00 0.00 54.97 55.38 1fhs s GLU 36 Cb -0.13 -3.46 0.08 0.00 0.26 0.00 0.00 34.13 30.87 1fhs s GLU 36 CO 0.05 0.17 1.21 0.45 -0.54 0.00 0.00 175.26 176.60 1fhs s SER 37 N 0.66 3.68 0.00 -1.70 0.15 -1.16 -1.38 113.70 113.94 1fhs s SER 37 Ca 0.14 2.37 0.00 0.00 0.70 0.00 0.00 55.95 59.17 1fhs s SER 37 Cb -0.13 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 1fhs s SER 37 CO 0.04 -2.61 0.00 1.21 1.20 0.00 0.00 173.24 173.08 1fhs n GLU 38 N -3.21 0.00 -0.04 5.44 2.13 -1.26 -4.29 120.64 119.41 1fhs n GLU 38 Ca 0.14 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.74 1fhs n GLU 38 Cb 0.50 -0.42 -0.13 0.00 0.27 0.00 0.00 31.44 31.66 1fhs n GLU 38 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1fhs n SER 39 N 0.00 2.02 -4.44 4.31 7.64 -1.26 -4.84 113.62 117.05 1fhs n SER 39 Ca 0.00 0.30 -0.45 0.00 1.01 0.00 0.00 58.87 59.73 1fhs n SER 39 Cb 0.00 -0.92 -0.13 0.00 -1.01 0.00 0.00 64.21 62.15 1fhs n SER 39 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fhs n ALA 40 N -3.18 0.33 1.37 -0.43 0.00 -1.26 -4.72 120.51 112.62 1fhs n ALA 40 Ca -0.32 -0.20 0.13 0.00 0.00 0.00 0.00 53.44 53.05 1fhs n ALA 40 Cb 0.89 -2.29 0.71 0.00 0.00 0.00 0.00 19.45 18.76 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 8.29 0.49 -1.82 0.00 -0.04 -1.26 -3.40 135.00 137.26 1fhs n PRO 41 Ca 0.61 0.03 -0.26 0.00 -0.04 0.00 0.00 63.50 63.84 1fhs n PRO 41 Cb 0.05 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.05 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 0.93 6.24 2.84 0.55 0.00 -1.26 -4.93 105.19 109.56 1fhs n GLY 42 Ca 0.14 -2.54 -0.28 0.00 0.00 0.00 0.00 46.02 43.34 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 -3.18 3.09 -0.16 1.61 1.01 -1.22 -4.49 116.67 113.32 1fhs s ASP 43 Ca 0.54 -0.84 -0.05 0.00 0.71 0.00 0.00 52.55 52.91 1fhs s ASP 43 Cb 0.43 -0.86 0.08 0.00 1.01 0.00 0.00 42.92 43.58 1fhs s ASP 43 CO 0.03 -0.24 0.29 -0.36 0.21 0.00 0.00 175.17 175.09 1fhs s PHE 44 N 1.66 -0.48 -0.10 4.23 0.08 -1.25 -3.00 117.98 119.11 1fhs s PHE 44 Ca -0.02 0.91 0.03 0.00 0.12 0.00 0.00 56.93 57.97 1fhs s PHE 44 Cb -0.17 -0.04 0.01 0.00 -0.57 0.00 0.00 43.02 42.25 1fhs s PHE 44 CO -0.07 -0.44 -0.19 -1.54 -0.10 0.00 0.00 175.22 172.87 1fhs s SER 45 N 2.44 2.68 -0.27 1.36 1.04 -1.24 0.13 113.70 119.84 1fhs s SER 45 Ca 0.03 -0.48 -0.17 0.00 0.48 0.00 0.00 55.95 55.81 1fhs s SER 45 Cb -0.13 -1.22 -0.03 0.00 0.10 0.00 0.00 66.02 64.74 1fhs s SER 45 CO -0.10 0.09 0.47 -0.22 0.98 0.00 0.00 173.24 174.45 1fhs s LEU 46 N 0.64 4.06 -0.02 2.42 0.20 0.31 -2.89 118.68 123.41 1fhs s LEU 46 Ca -0.13 0.41 -0.04 0.00 0.69 0.00 0.00 54.13 55.06 1fhs s LEU 46 Cb -0.16 -2.58 -0.04 0.00 -0.43 0.00 0.00 46.19 42.98 1fhs s LEU 46 CO 0.04 -0.26 0.20 -0.44 -0.29 0.00 0.00 176.35 175.59 1fhs s SER 47 N 1.59 6.40 -0.07 3.68 0.01 0.77 -0.83 113.70 125.25 1fhs s SER 47 Ca 0.19 0.41 -0.06 0.00 1.31 0.00 0.00 55.95 57.79 1fhs s SER 47 Cb -0.16 -2.03 0.02 0.00 0.21 0.00 0.00 66.02 64.07 1fhs s SER 47 CO 0.10 0.28 0.19 -0.69 0.41 0.00 0.00 173.24 173.53 1fhs s VAL 48 N -1.28 -0.01 -0.57 3.43 1.01 -1.08 -1.70 120.40 120.20 1fhs s VAL 48 Ca 0.26 0.02 -0.28 0.00 0.00 0.00 0.00 61.98 61.98 1fhs s VAL 48 Cb -0.13 -0.28 0.03 0.00 0.00 0.00 0.00 36.38 36.00 1fhs s VAL 48 CO 0.16 0.01 1.17 -0.75 0.00 0.00 0.00 175.10 175.69 1fhs s LYS 49 N 0.25 3.53 0.00 2.72 2.47 -0.48 -1.85 119.74 126.39 1fhs s LYS 49 Ca -0.01 0.26 0.00 0.00 -1.56 0.00 0.00 55.97 54.66 1fhs s LYS 49 Cb -0.03 -4.00 0.00 0.00 -1.46 0.00 0.00 37.83 32.34 1fhs s LYS 49 CO -0.01 -1.64 0.00 0.34 0.16 0.00 0.00 175.35 174.20 1fhs n PHE 50 N 8.33 0.00 -0.01 4.03 7.35 -1.15 -0.16 117.46 135.85 1fhs n PHE 50 Ca 0.09 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.77 1fhs n PHE 50 Cb 0.49 0.00 -0.00 0.00 0.35 0.00 0.00 39.48 40.32 1fhs n PHE 50 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1fhs h GLY 51 N 0.00 0.00 0.00 7.13 0.00 -1.93 -3.42 103.07 104.85 1fhs h GLY 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1fhs h GLY 51 CO 0.00 0.00 -0.48 -2.01 0.00 0.00 0.00 176.54 174.05 1fhs n ASN 52 N -2.38 2.40 -4.96 0.19 2.85 -1.26 -4.93 115.26 107.17 1fhs n ASN 52 Ca -0.00 0.00 -0.24 0.00 -0.11 0.00 0.00 54.58 54.23 1fhs n ASN 52 Cb 0.01 0.38 -0.03 0.00 1.24 0.00 0.00 39.78 41.39 1fhs n ASN 52 CO 0.00 0.00 0.00 1.51 -2.11 0.00 0.00 177.26 176.66 1fhs s ASP 53 N -1.39 6.33 -0.36 1.20 -4.77 -1.26 -4.95 116.67 111.46 1fhs s ASP 53 Ca 0.00 0.13 -0.25 0.00 -3.30 0.00 0.00 52.55 49.13 1fhs s ASP 53 Cb 0.00 -1.89 0.01 0.00 -1.09 0.00 0.00 42.92 39.95 1fhs s ASP 53 CO 0.00 -0.01 0.87 -0.69 0.70 0.00 0.00 175.17 176.04 1fhs s VAL 54 N -1.86 4.65 0.40 2.11 1.01 -1.26 -2.93 120.40 122.51 1fhs s VAL 54 Ca 0.34 1.10 -0.04 0.00 0.00 0.00 0.00 61.98 63.39 1fhs s VAL 54 Cb -0.10 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 1fhs s VAL 54 CO 0.29 -0.48 0.67 -1.58 0.00 0.00 0.00 175.10 174.00 1fhs s GLN 55 N 3.32 3.56 -0.05 2.72 0.74 -0.77 -4.95 119.66 124.22 1fhs s GLN 55 Ca 0.36 0.02 0.02 0.00 0.05 0.00 0.00 55.36 55.81 1fhs s GLN 55 Cb -0.12 -2.51 0.01 0.00 1.10 0.00 0.00 33.01 31.49 1fhs s GLN 55 CO 0.18 -0.01 -0.10 -3.38 -0.55 0.00 0.00 175.29 171.42 1fhs s HIS 56 N -2.47 1.19 -0.06 1.67 -3.43 -1.26 -2.64 115.29 108.28 1fhs s HIS 56 Ca 0.45 -0.39 0.04 0.00 -0.80 0.00 0.00 55.06 54.36 1fhs s HIS 56 Cb -0.10 -0.89 -0.00 0.00 -1.43 0.00 0.00 32.58 30.16 1fhs s HIS 56 CO 0.39 -0.21 -0.20 -0.06 -2.00 0.00 0.00 174.74 172.66 1fhs s PHE 57 N 0.57 2.01 -0.40 0.38 0.08 -0.01 -4.97 117.98 115.64 1fhs s PHE 57 Ca -0.11 -0.67 -0.11 0.00 0.12 0.00 0.00 56.93 56.16 1fhs s PHE 57 Cb -0.14 -1.36 0.05 0.00 -0.57 0.00 0.00 43.02 41.00 1fhs s PHE 57 CO 0.02 -0.25 0.26 0.15 -0.10 0.00 0.00 175.22 175.30 1fhs s LYS 58 N 0.16 2.79 -1.11 0.44 1.02 -1.26 0.12 119.74 121.90 1fhs s LYS 58 Ca -0.09 -1.22 -0.22 0.00 0.02 0.00 0.00 55.97 54.47 1fhs s LYS 58 Cb -0.14 -3.82 0.02 0.00 -0.52 0.00 0.00 37.83 33.36 1fhs s LYS 58 CO 0.04 -0.82 1.70 0.08 -0.92 0.00 0.00 175.35 175.43 1fhs s VAL 59 N 1.54 3.84 0.79 3.17 1.01 0.36 -4.40 120.40 126.71 1fhs s VAL 59 Ca 0.03 -1.06 -0.11 0.00 0.00 0.00 0.00 61.98 60.84 1fhs s VAL 59 Cb -0.21 -4.84 0.07 0.00 0.00 0.00 0.00 36.38 31.40 1fhs s VAL 59 CO 0.06 -1.64 1.09 -0.76 0.00 0.00 0.00 175.10 173.84 1fhs s LEU 60 N 6.61 2.89 0.15 3.92 1.43 -0.98 -3.96 118.68 128.74 1fhs s LEU 60 Ca 0.56 1.74 0.06 0.00 -1.03 0.00 0.00 54.13 55.46 1fhs s LEU 60 Cb -0.00 -4.40 -0.04 0.00 0.03 0.00 0.00 46.19 41.78 1fhs s LEU 60 CO 0.01 -2.09 -0.14 -0.60 0.23 0.00 0.00 176.35 173.75 1fhs s ARG 61 N -4.93 1.13 0.00 1.70 3.00 -1.26 -1.20 118.95 117.39 1fhs s ARG 61 Ca 0.61 -1.38 0.00 0.00 -1.00 0.00 0.00 55.73 53.96 1fhs s ARG 61 Cb -0.17 -0.95 0.00 0.00 0.00 0.00 0.00 34.95 33.83 1fhs s ARG 61 CO 0.56 0.17 0.00 -3.47 0.00 0.00 0.00 175.30 172.56 1fhs n ASP 62 N 0.15 0.00 -1.34 -2.12 2.03 -1.15 -4.99 116.55 109.13 1fhs n ASP 62 Ca -0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.19 1fhs n ASP 62 Cb 0.58 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 1fhs n ASP 62 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1fhs n GLY 63 N -0.04 1.58 2.74 0.27 0.00 -1.26 -0.15 105.19 108.32 1fhs n GLY 63 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 1.18 2.86 0.00 4.61 0.00 -1.26 -4.86 120.51 123.04 1fhs n ALA 64 Ca 0.00 -2.67 0.00 0.00 0.00 0.00 0.00 53.44 50.77 1fhs n ALA 64 Cb 0.33 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 -0.44 0.60 7.00 0.00 0.00 -1.17 -5.10 105.19 106.08 1fhs n GLY 65 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 0.00 -3.12 1.61 5.02 0.78 -4.31 118.16 118.15 1fhs n LYS 66 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.90 1fhs n LYS 66 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 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 3.55 -0.27 2.13 2.02 -1.19 -2.92 117.35 120.67 1fhs s TYR 67 Ca 0.00 1.14 -0.19 0.00 -0.37 0.00 0.00 57.07 57.64 1fhs s TYR 67 Cb 0.00 -2.74 0.07 0.00 -0.40 0.00 0.00 41.96 38.89 1fhs s TYR 67 CO 0.00 0.09 0.68 -0.59 -1.57 0.00 0.00 175.55 174.16 1fhs s PHE 68 N 0.84 -0.91 -0.01 2.71 -0.12 -0.35 -2.39 117.98 117.76 1fhs s PHE 68 Ca 0.34 1.97 -0.24 0.00 -0.05 0.00 0.00 56.93 58.95 1fhs s PHE 68 Cb -0.17 0.45 -0.17 0.00 -0.63 0.00 0.00 43.02 42.50 1fhs s PHE 68 CO 0.16 -0.45 1.19 -0.07 -0.05 0.00 0.00 175.22 176.00 1fhs h LEU 69 N 6.11 -0.19 0.00 -1.99 4.07 -1.77 -2.60 115.31 118.94 1fhs h LEU 69 Ca -0.30 -0.30 0.00 0.00 0.08 0.00 0.00 57.88 57.36 1fhs h LEU 69 Cb 1.20 0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.99 1fhs h LEU 69 CO 0.12 0.24 -0.22 0.79 -1.08 0.00 0.00 178.44 178.29 1fhs n TRP 70 N -5.00 0.00 0.00 1.13 8.01 -1.26 -4.62 117.44 115.70 1fhs n TRP 70 Ca -0.09 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.10 1fhs n TRP 70 Cb 0.25 0.05 0.00 0.00 -2.01 0.00 0.00 31.31 29.60 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 -1.85 0.00 -1.56 -0.99 0.31 -1.26 -5.09 118.33 107.89 1fhs n VAL 71 Ca 0.00 0.00 -0.50 0.00 -0.01 0.00 0.00 64.34 63.83 1fhs n VAL 71 Cb 0.11 -0.03 -0.05 0.00 -0.91 0.00 0.00 33.84 32.97 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 -0.69 0.76 -3.40 2.52 0.24 -1.26 -4.87 118.33 111.62 1fhs n VAL 72 Ca 0.00 -0.19 -0.25 0.00 -2.04 0.00 0.00 64.34 61.86 1fhs n VAL 72 Cb 0.00 -0.72 -0.02 0.00 -1.47 0.00 0.00 33.84 31.63 1fhs n VAL 72 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1fhs s LYS 73 N -0.27 3.52 -0.26 7.34 1.02 -1.26 -4.39 119.74 125.44 1fhs s LYS 73 Ca 0.76 -0.27 -0.24 0.00 0.02 0.00 0.00 55.97 56.24 1fhs s LYS 73 Cb -0.91 -2.68 0.07 0.00 -0.52 0.00 0.00 37.83 33.79 1fhs s LYS 73 CO 0.52 0.19 0.69 -0.59 -0.92 0.00 0.00 175.35 175.24 1fhs s PHE 74 N -2.23 -0.75 -0.59 3.18 -0.12 -1.00 -5.00 117.98 111.46 1fhs s PHE 74 Ca 0.41 1.84 0.25 0.00 -0.05 0.00 0.00 56.93 59.37 1fhs s PHE 74 Cb -0.10 0.26 0.55 0.00 -0.63 0.00 0.00 43.02 43.10 1fhs s PHE 74 CO 0.34 -0.37 1.63 -0.91 -0.05 0.00 0.00 175.22 175.87 1fhs h ASN 75 N 5.02 0.00 -3.57 1.98 -0.26 -1.91 -3.15 115.58 113.69 1fhs h ASN 75 Ca -0.29 -0.02 -0.17 0.00 -0.56 0.00 0.00 56.30 55.26 1fhs h ASN 75 Cb 1.16 0.00 -0.27 0.00 -1.06 0.00 0.00 38.32 38.15 1fhs h ASN 75 CO 0.07 0.01 -0.43 -0.55 -1.06 0.00 0.00 177.43 175.47 1fhs s SER 76 N -5.14 -0.29 0.30 5.81 0.15 -1.26 -4.96 113.70 108.32 1fhs s SER 76 Ca 0.08 0.55 0.05 0.00 0.70 0.00 0.00 55.95 57.33 1fhs s SER 76 Cb 0.10 0.50 0.78 0.00 -1.71 0.00 0.00 66.02 65.68 1fhs s SER 76 CO 0.65 -0.13 1.67 -0.07 1.20 0.00 0.00 173.24 176.56 1fhs h LEU 77 N 6.48 0.24 -0.68 3.45 3.38 -1.98 1.21 115.31 127.42 1fhs h LEU 77 Ca -0.33 0.17 0.14 0.00 0.09 0.00 0.00 57.88 57.96 1fhs h LEU 77 Cb 1.18 0.18 -0.11 0.00 0.09 0.00 0.00 40.66 42.00 1fhs h LEU 77 CO 0.35 -0.08 0.10 0.78 0.09 0.00 0.00 178.44 179.69 1fhs h ASN 78 N 0.32 -0.10 -0.59 -0.43 2.35 -1.98 1.31 115.58 116.47 1fhs h ASN 78 Ca 0.58 0.15 0.06 0.00 -0.55 0.00 0.00 56.30 56.54 1fhs h ASN 78 Cb 1.17 0.22 -0.03 0.00 0.05 0.00 0.00 38.32 39.73 1fhs h ASN 78 CO -0.58 -0.06 0.39 -0.08 -1.65 0.00 0.00 177.43 175.44 1fhs h GLU 79 N 0.21 0.56 0.41 0.81 4.81 0.10 0.75 114.58 122.23 1fhs h GLU 79 Ca 0.37 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.54 1fhs h GLU 79 Cb 0.61 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1fhs h GLU 79 CO -0.51 0.37 -0.20 1.25 -0.73 0.00 0.00 179.01 179.20 1fhs h LEU 80 N 0.58 -0.47 -1.42 1.64 6.46 0.27 -2.13 115.31 120.24 1fhs h LEU 80 Ca 0.25 0.02 0.40 0.00 -0.12 0.00 0.00 57.88 58.42 1fhs h LEU 80 Cb 0.25 0.12 -0.12 0.00 -0.73 0.00 0.00 40.66 40.19 1fhs h LEU 80 CO -0.07 -0.31 0.82 0.58 -0.62 0.00 0.00 178.44 178.83 1fhs h VAL 81 N -0.60 0.22 -0.87 1.05 2.07 0.28 1.20 116.25 119.60 1fhs h VAL 81 Ca -0.06 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.42 1fhs h VAL 81 Cb 0.42 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 1fhs h VAL 81 CO 0.09 0.03 0.57 0.44 0.02 0.00 0.00 177.57 178.72 1fhs h ASP 82 N 0.15 0.99 0.14 0.57 3.32 0.93 -0.83 116.42 121.68 1fhs h ASP 82 Ca 0.76 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.78 1fhs h ASP 82 Cb 2.34 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 41.64 1fhs h ASP 82 CO -0.37 0.71 -0.07 1.88 -1.72 0.00 0.00 179.24 179.67 1fhs h TYR 83 N 1.17 -0.17 -0.15 4.55 0.05 0.21 -2.58 116.97 120.04 1fhs h TYR 83 Ca 0.32 -0.00 -0.10 0.00 0.05 0.00 0.00 58.73 59.00 1fhs h TYR 83 Cb -0.12 0.06 -0.05 0.00 1.01 0.00 0.00 36.73 37.63 1fhs h TYR 83 CO -0.00 0.14 0.12 0.72 -1.05 0.00 0.00 178.16 178.10 1fhs n HIS 84 N -5.03 0.49 -0.06 4.88 8.25 -0.85 -3.60 115.22 119.30 1fhs n HIS 84 Ca -0.09 -1.10 0.11 0.00 -0.26 0.00 0.00 57.72 56.38 1fhs n HIS 84 Cb 0.21 -0.55 0.26 0.00 1.12 0.00 0.00 29.99 31.03 1fhs n HIS 84 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1fhs n ARG 85 N 0.83 2.61 0.00 -0.41 3.00 -0.36 -4.06 116.66 118.27 1fhs n ARG 85 Ca 0.09 -2.45 0.00 0.00 -0.00 0.00 0.00 57.85 55.50 1fhs n ARG 85 Cb 0.58 -1.52 0.00 0.00 0.00 0.00 0.00 32.46 31.52 1fhs n ARG 85 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1fhs n SER 86 N 1.50 0.00 -2.01 6.15 3.41 -1.24 -4.99 113.62 116.44 1fhs n SER 86 Ca 0.21 0.05 -0.01 0.00 -0.26 0.00 0.00 58.87 58.86 1fhs n SER 86 Cb 0.60 -0.09 0.06 0.00 -0.26 0.00 0.00 64.21 64.52 1fhs n SER 86 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1fhs n THR 87 N -1.22 0.00 -3.65 6.66 5.66 -1.26 -5.02 114.28 115.45 1fhs n THR 87 Ca 0.00 -0.47 -0.04 0.00 -3.05 0.00 0.00 64.05 60.49 1fhs n THR 87 Cb 0.00 0.72 -0.07 0.00 -1.55 0.00 0.00 70.33 69.44 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 -0.56 -0.10 -0.07 1.09 1.04 -0.42 -3.68 113.70 111.00 1fhs s SER 88 Ca 0.04 0.19 0.01 0.00 0.48 0.00 0.00 55.95 56.68 1fhs s SER 88 Cb 0.21 0.19 -0.05 0.00 0.10 0.00 0.00 66.02 66.47 1fhs s SER 88 CO -0.06 -0.04 -0.05 0.52 0.98 0.00 0.00 173.24 174.58 1fhs n VAL 89 N 1.56 0.42 0.01 5.02 0.31 -1.18 -4.62 118.33 119.85 1fhs n VAL 89 Ca -0.10 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1fhs n VAL 89 Cb 0.57 -0.77 0.00 0.00 -0.91 0.00 0.00 33.84 32.73 1fhs n VAL 89 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1fhs n SER 90 N -2.65 -0.01 0.00 4.52 2.88 -1.26 -4.82 113.62 112.28 1fhs n SER 90 Ca -0.13 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 1fhs n SER 90 Cb 0.65 0.02 0.01 0.00 -0.75 0.00 0.00 64.21 64.14 1fhs n SER 90 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1fhs n ARG 91 N -2.56 0.05 0.00 -1.46 5.12 -1.26 -4.74 116.66 111.81 1fhs n ARG 91 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1fhs n ARG 91 Cb 0.00 -1.15 0.00 0.00 -1.16 0.00 0.00 32.46 30.15 1fhs n ARG 91 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1fhs n ASN 92 N -0.65 0.00 -3.63 0.55 3.02 -1.26 -4.84 115.26 108.44 1fhs n ASN 92 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.53 1fhs n ASN 92 Cb 0.00 -0.60 -0.06 0.00 -0.61 0.00 0.00 39.78 38.51 1fhs n ASN 92 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fhs s GLN 93 N 0.00 0.41 0.00 3.52 -2.07 -1.26 -4.56 119.66 115.70 1fhs s GLN 93 Ca 0.00 0.74 0.00 0.00 -1.82 0.00 0.00 55.36 54.28 1fhs s GLN 93 Cb 0.00 0.11 0.00 0.00 -1.09 0.00 0.00 33.01 32.03 1fhs s GLN 93 CO 0.00 -0.09 0.00 1.04 -1.32 0.00 0.00 175.29 174.92 1fhs n GLN 94 N 3.87 0.00 -3.67 9.60 1.13 -1.24 -5.01 117.38 122.06 1fhs n GLN 94 Ca -0.18 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.77 1fhs n GLN 94 Cb 0.57 0.00 -0.12 0.00 0.11 0.00 0.00 30.24 30.81 1fhs n GLN 94 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1fhs s ILE 95 N -2.00 -0.45 -0.01 5.09 1.01 -1.26 -4.98 121.20 118.60 1fhs s ILE 95 Ca 0.00 0.21 0.08 0.00 0.00 0.00 0.00 60.65 60.94 1fhs s ILE 95 Cb 0.00 -0.54 -0.02 0.00 0.01 0.00 0.00 42.46 41.91 1fhs s ILE 95 CO 0.00 0.09 -0.25 -0.36 0.00 0.00 0.00 174.94 174.42 1fhs s PHE 96 N 2.35 2.26 -0.51 3.97 0.40 -1.26 -1.30 117.98 123.88 1fhs s PHE 96 Ca -0.01 -0.42 -0.22 0.00 -0.60 0.00 0.00 56.93 55.67 1fhs s PHE 96 Cb -0.12 -1.44 0.04 0.00 0.51 0.00 0.00 43.02 42.02 1fhs s PHE 96 CO -0.10 -0.02 0.78 -0.51 0.70 0.00 0.00 175.22 176.07 1fhs s LEU 97 N -0.68 4.47 0.16 -0.37 1.43 -1.26 -3.78 118.68 118.65 1fhs s LEU 97 Ca 0.10 -0.52 0.10 0.00 -1.03 0.00 0.00 54.13 52.78 1fhs s LEU 97 Cb -0.10 -2.70 -0.04 0.00 0.03 0.00 0.00 46.19 43.38 1fhs s LEU 97 CO -0.01 -1.02 -0.23 -0.60 0.23 0.00 0.00 176.35 174.72 1fhs s ARG 98 N 3.28 1.40 -0.08 1.70 6.06 -0.96 -4.98 118.95 125.37 1fhs s ARG 98 Ca 0.24 -1.42 -0.39 0.00 -2.50 0.00 0.00 55.73 51.66 1fhs s ARG 98 Cb -0.15 -1.71 -0.18 0.00 0.06 0.00 0.00 34.95 32.97 1fhs s ARG 98 CO 0.17 0.38 1.38 -0.25 -2.50 0.00 0.00 175.30 174.48 1fhs n ASP 99 N 0.53 1.32 -0.25 -2.12 8.00 -1.26 -2.70 116.55 120.07 1fhs n ASP 99 Ca -0.15 1.13 0.12 0.00 0.71 0.00 0.00 54.79 56.60 1fhs n ASP 99 Cb 0.55 -1.07 0.57 0.00 -0.02 0.00 0.00 41.12 41.15 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 2.85 0.06 -3.60 0.53 3.06 -1.26 -4.71 119.36 116.30 1fhs n ILE 100 Ca 0.22 -0.15 -0.10 0.00 -2.50 0.00 0.00 62.75 60.22 1fhs n ILE 100 Cb 0.12 0.00 -0.10 0.00 0.54 0.00 0.00 39.64 40.20 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 -1.94 0.27 0.00 9.51 0.41 -1.26 -4.93 118.70 120.77 1fhs s GLU 101 Ca 0.35 0.83 -0.30 0.00 -0.41 0.00 0.00 54.97 55.44 1fhs s GLU 101 Cb 0.17 0.02 -0.04 0.00 -1.78 0.00 0.00 34.13 32.50 1fhs s GLU 101 CO 0.28 -0.35 1.18 1.14 -0.49 0.00 0.00 175.26 177.02 1fhs s GLN 102 N 2.54 4.41 0.09 1.61 -2.07 -1.26 -4.84 119.66 120.13 1fhs s GLN 102 Ca 0.02 1.70 0.00 0.00 -1.82 0.00 0.00 55.36 55.26 1fhs s GLN 102 Cb -0.13 -3.45 0.00 0.00 -1.09 0.00 0.00 33.01 28.34 1fhs s GLN 102 CO -0.12 -0.32 0.00 1.33 -1.32 0.00 0.00 175.29 174.86 1fhs n VAL 103 N 4.23 0.02 0.58 3.63 0.24 -1.26 -4.88 118.33 120.90 1fhs n VAL 103 Ca 0.10 0.01 0.04 0.00 -2.04 0.00 0.00 64.34 62.44 1fhs n VAL 103 Cb 0.47 -0.21 0.21 0.00 -1.47 0.00 0.00 33.84 32.84 1fhs n VAL 103 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1fhs n PRO 104 N -2.81 0.29 -1.38 7.34 -0.04 -1.26 -4.77 135.00 132.37 1fhs n PRO 104 Ca 0.00 0.00 -0.57 0.00 -0.04 0.00 0.00 63.50 62.89 1fhs n PRO 104 Cb 0.00 -1.38 -0.10 0.00 -0.04 0.00 0.00 33.50 31.98 1fhs n PRO 104 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1fhs n GLN 105 N -0.88 0.45 -3.50 0.54 1.13 -1.26 -4.85 117.38 109.00 1fhs n GLN 105 Ca 0.05 0.13 -0.14 0.00 -1.94 0.00 0.00 57.00 55.10 1fhs n GLN 105 Cb 0.02 -1.87 -0.04 0.00 0.11 0.00 0.00 30.24 28.46 1fhs n GLN 105 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 1fhs s GLN 106 N 5.71 1.14 0.00 -1.09 1.03 -1.26 -4.80 119.66 120.38 1fhs s GLN 106 Ca 1.14 -0.19 0.00 0.00 0.04 0.00 0.00 55.36 56.35 1fhs s GLN 106 Cb -1.25 0.53 0.00 0.00 0.03 0.00 0.00 33.01 32.32 1fhs s GLN 106 CO 0.61 -0.43 0.00 -0.35 -2.54 0.00 0.00 175.29 172.58 1fhs n PRO 107 N 0.24 3.91 -2.77 9.60 -0.04 -1.26 -5.07 135.00 139.61 1fhs n PRO 107 Ca -0.18 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.26 1fhs n PRO 107 Cb 0.61 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.14 1fhs n PRO 107 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1fhs n THR 108 N 0.00 0.92 -3.62 0.52 5.66 -1.26 -5.06 114.28 111.44 1fhs n THR 108 Ca 0.00 -2.51 -0.09 0.00 -3.05 0.00 0.00 64.05 58.40 1fhs n THR 108 Cb 0.00 1.12 -0.10 0.00 -1.55 0.00 0.00 70.33 69.81 1fhs n THR 108 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1fhs s TYR 109 N -2.75 -0.78 -0.29 1.09 2.02 -1.26 -5.12 117.35 110.27 1fhs s TYR 109 Ca 0.23 1.42 -0.19 0.00 -0.37 0.00 0.00 57.07 58.16 1fhs s TYR 109 Cb 0.37 0.25 -0.02 0.00 -0.40 0.00 0.00 41.96 42.17 1fhs s TYR 109 CO -0.05 -0.50 0.55 0.14 -1.57 0.00 0.00 175.55 174.12 1fhs s VAL 110 N 2.60 5.02 0.00 0.71 -7.23 -1.26 -4.73 120.40 115.51 1fhs s VAL 110 Ca 0.00 0.79 0.00 0.00 -1.81 0.00 0.00 61.98 60.97 1fhs s VAL 110 Cb -0.12 -3.90 0.00 0.00 0.56 0.00 0.00 36.38 32.92 1fhs s VAL 110 CO -0.13 -0.02 0.00 0.00 -0.31 0.00 0.00 175.10 174.64 1fhs n GLN 111 N 5.67 -0.32 0.00 4.82 6.02 -1.26 -5.29 117.38 127.03 1fhs n GLN 111 Ca -0.03 0.30 0.07 0.00 -0.01 0.00 0.00 57.00 57.33 1fhs n GLN 111 Cb 0.49 -0.22 0.06 0.00 1.02 0.00 0.00 30.24 31.59 1fhs n GLN 111 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05