#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 -0.57 -0.89 -0.61 2.07 -1.26 -5.05 121.20 114.90 1fhs s ILE 2 Ca 0.00 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.25 1fhs s ILE 2 Cb 0.00 -1.00 0.33 0.00 0.13 0.00 0.00 42.46 41.92 1fhs s ILE 2 CO 0.00 0.00 1.62 -1.84 -1.91 0.00 0.00 174.94 172.81 1fhs n GLU 3 N 4.92 4.63 -1.29 3.50 0.28 -1.26 -5.03 120.64 126.40 1fhs n GLU 3 Ca -0.12 -4.61 -0.38 0.00 -0.16 0.00 0.00 57.16 51.89 1fhs n GLU 3 Cb 0.52 -2.39 0.04 0.00 1.43 0.00 0.00 31.44 31.04 1fhs n GLU 3 CO 0.00 0.00 0.00 -0.12 -0.16 0.00 0.00 177.13 176.85 1fhs n MET 4 N -0.16 0.23 -1.46 3.44 1.56 -1.26 -4.68 117.12 114.79 1fhs n MET 4 Ca 0.44 0.10 -0.53 0.00 -0.27 0.00 0.00 57.70 57.44 1fhs n MET 4 Cb 0.30 -1.46 -0.05 0.00 2.15 0.00 0.00 33.22 34.16 1fhs n MET 4 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 1fhs n LYS 5 N 0.46 0.14 -1.73 2.12 4.81 -1.26 -4.65 118.16 118.05 1fhs n LYS 5 Ca 0.09 0.05 -0.62 0.00 -0.87 0.00 0.00 58.31 56.96 1fhs n LYS 5 Cb 0.49 -1.31 -0.08 0.00 0.02 0.00 0.00 35.03 34.14 1fhs n LYS 5 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1fhs n PRO 6 N 1.28 0.69 -2.06 1.64 -0.02 -1.26 -4.87 135.00 130.40 1fhs n PRO 6 Ca 0.18 0.25 -0.41 0.00 -2.02 0.00 0.00 63.50 61.51 1fhs n PRO 6 Cb 0.18 -1.86 -0.02 0.00 -0.02 0.00 0.00 33.50 31.78 1fhs n PRO 6 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1fhs s HIS 7 N 3.36 3.03 0.00 6.00 2.46 -1.26 -5.00 115.29 123.88 1fhs s HIS 7 Ca 1.01 1.20 0.00 0.00 0.47 0.00 0.00 55.06 57.74 1fhs s HIS 7 Cb -1.25 -3.75 0.00 0.00 -0.13 0.00 0.00 32.58 27.45 1fhs s HIS 7 CO 0.72 -2.29 0.00 -2.30 -2.47 0.00 0.00 174.74 168.40 1fhs n PRO 8 N 1.69 0.00 -0.67 2.88 -0.02 -1.26 -4.94 135.00 132.69 1fhs n PRO 8 Ca 0.04 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.51 1fhs n PRO 8 Cb 0.41 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.88 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 0.00 0.00 -3.14 6.00 4.27 -1.26 -4.79 117.44 118.52 1fhs n TRP 9 Ca 0.00 -0.13 -0.41 0.00 -3.89 0.00 0.00 57.50 53.08 1fhs n TRP 9 Cb 0.00 0.21 -0.07 0.00 -1.36 0.00 0.00 31.31 30.09 1fhs n TRP 9 CO 0.00 0.00 0.00 -0.06 -2.29 0.00 0.00 177.69 175.34 1fhs s PHE 10 N 0.00 3.26 -0.59 -2.67 0.40 -1.26 -2.81 117.98 114.32 1fhs s PHE 10 Ca 0.02 0.72 0.00 0.00 -0.60 0.00 0.00 56.93 57.08 1fhs s PHE 10 Cb 0.03 -2.84 0.15 0.00 0.51 0.00 0.00 43.02 40.87 1fhs s PHE 10 CO -0.01 -0.34 0.37 -0.06 0.70 0.00 0.00 175.22 175.87 1fhs s PHE 11 N 2.47 3.31 0.00 0.36 0.40 -1.04 -4.98 117.98 118.50 1fhs s PHE 11 Ca 0.25 -2.95 0.00 0.00 -0.60 0.00 0.00 56.93 53.63 1fhs s PHE 11 Cb -0.15 -3.02 0.00 0.00 0.51 0.00 0.00 43.02 40.36 1fhs s PHE 11 CO 0.09 -0.79 0.00 0.41 0.70 0.00 0.00 175.22 175.64 1fhs n GLY 12 N 3.24 0.00 2.84 4.36 0.00 -1.26 -2.87 105.19 111.50 1fhs n GLY 12 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1fhs n GLY 12 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1fhs n LYS 13 N 0.00 4.36 -3.50 1.61 2.85 -1.25 0.15 118.16 122.38 1fhs n LYS 13 Ca 0.00 -4.10 -0.37 0.00 -1.05 0.00 0.00 58.31 52.79 1fhs n LYS 13 Cb 0.00 -2.66 -0.07 0.00 -0.65 0.00 0.00 35.03 31.65 1fhs n LYS 13 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 177.40 175.85 1fhs s ILE 14 N -1.77 5.28 0.00 0.58 1.10 -1.23 -4.99 121.20 120.17 1fhs s ILE 14 Ca 0.38 0.57 0.00 0.00 -0.51 0.00 0.00 60.65 61.09 1fhs s ILE 14 Cb 0.10 -3.65 0.00 0.00 0.15 0.00 0.00 42.46 39.06 1fhs s ILE 14 CO 0.02 0.35 0.00 -0.81 -2.11 0.00 0.00 174.94 172.39 1fhs n PRO 15 N 3.86 1.39 -0.12 3.50 -0.04 -1.26 -4.73 135.00 137.59 1fhs n PRO 15 Ca -0.11 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.09 1fhs n PRO 15 Cb 0.52 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.87 1fhs n PRO 15 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1fhs n ARG 16 N 0.00 0.58 0.00 0.54 0.63 -1.26 -2.92 116.66 114.23 1fhs n ARG 16 Ca 0.00 0.42 0.00 0.00 -0.92 0.00 0.00 57.85 57.35 1fhs n ARG 16 Cb 0.00 -1.62 0.00 0.00 0.45 0.00 0.00 32.46 31.29 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 -3.83 -0.18 -0.27 5.13 0.00 -1.26 0.09 120.51 120.20 1fhs n ALA 17 Ca -0.44 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 52.94 1fhs n ALA 17 Cb 0.79 0.27 -0.02 0.00 0.00 0.00 0.00 19.45 20.48 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 -0.14 -0.84 0.00 1.63 -1.95 1.12 116.57 116.39 1fhs h LYS 18 Ca 0.00 0.01 0.21 0.00 -0.85 0.00 0.00 60.65 60.02 1fhs h LYS 18 Cb 0.00 0.03 -0.13 0.00 -0.60 0.00 0.00 32.23 31.54 1fhs h LYS 18 CO 0.00 -0.10 0.27 0.00 -3.45 0.00 0.00 179.45 176.17 1fhs h ALA 19 N 0.80 1.23 -0.42 5.00 0.00 -1.37 0.70 119.26 125.20 1fhs h ALA 19 Ca 0.22 0.19 -0.10 0.00 0.00 0.00 0.00 54.91 55.21 1fhs h ALA 19 Cb 0.55 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1fhs h ALA 19 CO -0.78 -0.39 -0.15 0.93 0.00 0.00 0.00 179.25 178.86 1fhs h GLU 20 N 0.29 0.78 0.00 0.00 5.08 0.50 -2.73 114.58 118.50 1fhs h GLU 20 Ca 0.51 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1fhs h GLU 20 Cb 0.97 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1fhs h GLU 20 CO -0.57 0.89 0.00 0.39 -1.00 0.00 0.00 179.01 178.72 1fhs n GLU 21 N -4.14 0.00 -0.34 2.33 1.02 0.24 0.14 120.64 119.88 1fhs n GLU 21 Ca 0.01 0.00 0.25 0.00 -0.02 0.00 0.00 57.16 57.40 1fhs n GLU 21 Cb 0.39 -0.79 0.49 0.00 -0.02 0.00 0.00 31.44 31.51 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 0.28 -0.13 3.49 -0.00 -1.49 1.19 114.93 118.27 1fhs h MET 22 Ca 0.00 -0.02 -0.19 0.00 -0.00 0.00 0.00 59.70 59.50 1fhs h MET 22 Cb 0.00 -0.06 -0.00 0.00 -0.00 0.00 0.00 31.60 31.53 1fhs h MET 22 CO 0.00 0.19 -0.68 1.25 -0.00 0.00 0.00 176.91 177.66 1fhs h LEU 23 N 0.29 0.64 -1.95 -0.10 5.85 -1.54 -2.71 115.31 115.80 1fhs h LEU 23 Ca 0.75 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 59.07 1fhs h LEU 23 Cb 1.76 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.60 1fhs h LEU 23 CO -0.61 1.14 0.00 -0.24 -0.34 0.00 0.00 178.44 178.40 1fhs n SER 24 N -3.90 1.97 -2.62 1.25 2.88 0.41 -2.80 113.62 110.81 1fhs n SER 24 Ca -0.05 -1.36 -0.09 0.00 -1.33 0.00 0.00 58.87 56.04 1fhs n SER 24 Cb 0.68 -0.34 0.03 0.00 -0.75 0.00 0.00 64.21 63.84 1fhs n SER 24 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1fhs n LYS 25 N 0.64 2.02 -4.52 -1.46 5.02 -1.02 -4.98 118.16 113.86 1fhs n LYS 25 Ca 0.00 -3.64 -0.32 0.00 -2.02 0.00 0.00 58.31 52.34 1fhs n LYS 25 Cb 0.33 -1.67 -0.11 0.00 -0.02 0.00 0.00 35.03 33.56 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 -3.54 2.45 -1.12 1.97 -1.52 -1.12 -5.03 119.66 111.74 1fhs s GLN 26 Ca 0.33 -0.78 -0.19 0.00 -1.95 0.00 0.00 55.36 52.77 1fhs s GLN 26 Cb 0.38 -2.43 0.10 0.00 -0.22 0.00 0.00 33.01 30.84 1fhs s GLN 26 CO -0.02 0.59 1.46 1.03 -0.25 0.00 0.00 175.29 178.10 1fhs s ARG 27 N -1.40 3.81 0.00 2.91 0.52 -1.26 -4.45 118.95 119.09 1fhs s ARG 27 Ca 0.16 -1.81 0.00 0.00 -0.52 0.00 0.00 55.73 53.56 1fhs s ARG 27 Cb -0.11 -5.26 0.00 0.00 0.52 0.00 0.00 34.95 30.10 1fhs s ARG 27 CO 0.07 -2.04 0.00 1.58 0.02 0.00 0.00 175.30 174.93 1fhs n HIS 28 N 7.59 0.00 -0.83 -0.53 -0.00 -1.26 -4.93 115.22 115.26 1fhs n HIS 28 Ca 0.37 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.74 1fhs n HIS 28 Cb 0.47 0.00 0.11 0.00 -0.00 0.00 0.00 29.99 30.57 1fhs n HIS 28 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1fhs n ASP 29 N 2.53 -3.03 0.00 0.26 8.00 -1.26 -4.50 116.55 118.54 1fhs n ASP 29 Ca 0.00 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.55 1fhs n ASP 29 Cb 0.00 -0.87 0.00 0.00 -0.02 0.00 0.00 41.12 40.23 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 2.49 3.04 3.77 0.44 0.00 0.41 -4.26 105.19 111.08 1fhs n GLY 30 Ca 0.01 -0.94 -0.36 0.00 0.00 0.00 0.00 46.02 44.74 1fhs n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fhs s ALA 31 N -0.69 2.74 0.12 4.61 0.00 -1.26 -0.07 121.76 127.21 1fhs s ALA 31 Ca 0.00 0.90 -0.08 0.00 0.00 0.00 0.00 51.96 52.78 1fhs s ALA 31 Cb 0.00 -3.39 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 1fhs s ALA 31 CO 0.00 -0.82 0.20 -0.59 0.00 0.00 0.00 175.76 174.55 1fhs s PHE 32 N -1.67 0.32 -0.03 0.00 -0.71 -1.07 -2.14 117.98 112.68 1fhs s PHE 32 Ca 0.71 -0.73 -0.15 0.00 -1.04 0.00 0.00 56.93 55.73 1fhs s PHE 32 Cb -0.27 -0.11 0.02 0.00 -1.21 0.00 0.00 43.02 41.46 1fhs s PHE 32 CO 0.30 -0.60 0.32 -0.48 -1.34 0.00 0.00 175.22 173.42 1fhs s LEU 33 N -2.92 0.83 -0.29 -1.99 0.05 -0.99 -4.24 118.68 109.13 1fhs s LEU 33 Ca 0.11 0.16 -0.03 0.00 0.05 0.00 0.00 54.13 54.42 1fhs s LEU 33 Cb 0.05 1.26 0.04 0.00 -2.05 0.00 0.00 46.19 45.49 1fhs s LEU 33 CO -0.06 -0.41 0.00 -0.63 -0.55 0.00 0.00 176.35 174.70 1fhs s ILE 34 N -1.16 3.13 -0.09 1.48 1.01 -1.12 -0.45 121.20 124.00 1fhs s ILE 34 Ca -0.12 -1.21 -0.13 0.00 0.00 0.00 0.00 60.65 59.19 1fhs s ILE 34 Cb -0.05 -2.73 -0.05 0.00 0.01 0.00 0.00 42.46 39.64 1fhs s ILE 34 CO 0.04 -0.03 0.31 0.00 0.00 0.00 0.00 174.94 175.26 1fhs s ARG 35 N 1.31 3.94 -0.12 2.79 1.70 -1.16 -2.49 118.95 124.93 1fhs s ARG 35 Ca -0.03 0.17 -0.27 0.00 -0.47 0.00 0.00 55.73 55.13 1fhs s ARG 35 Cb -0.19 -3.29 -0.02 0.00 -0.57 0.00 0.00 34.95 30.88 1fhs s ARG 35 CO -0.01 0.53 0.90 -2.00 -1.08 0.00 0.00 175.30 173.64 1fhs s GLU 36 N -0.46 4.39 0.25 3.89 2.12 0.41 -3.91 118.70 125.39 1fhs s GLU 36 Ca 0.19 1.18 -0.31 0.00 0.36 0.00 0.00 54.97 56.39 1fhs s GLU 36 Cb -0.14 -3.53 -0.12 0.00 0.26 0.00 0.00 34.13 30.59 1fhs s GLU 36 CO 0.08 -0.25 1.64 0.45 -0.54 0.00 0.00 175.26 176.64 1fhs n SER 37 N 4.83 3.82 -0.32 -1.70 2.88 -1.20 -3.90 113.62 118.02 1fhs n SER 37 Ca 0.05 1.11 0.21 0.00 -1.33 0.00 0.00 58.87 58.91 1fhs n SER 37 Cb 0.49 -1.57 0.41 0.00 -0.75 0.00 0.00 64.21 62.80 1fhs n SER 37 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1fhs h GLU 38 N 5.65 0.11 -1.56 -1.46 4.81 -1.93 -3.00 114.58 117.19 1fhs h GLU 38 Ca -0.45 -0.01 -0.48 0.00 -0.13 0.00 0.00 59.36 58.30 1fhs h GLU 38 Cb 1.22 -0.02 -0.33 0.00 0.63 0.00 0.00 28.75 30.25 1fhs h GLU 38 CO 0.87 0.07 -0.94 0.43 -0.73 0.00 0.00 179.01 178.70 1fhs n SER 39 N -5.28 -0.68 0.00 1.04 7.64 -1.26 -5.02 113.62 110.06 1fhs n SER 39 Ca 0.29 -2.80 0.00 0.00 1.01 0.00 0.00 58.87 57.36 1fhs n SER 39 Cb 0.94 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 64.13 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 1.64 0.00 1.06 -0.43 0.00 -1.13 -5.03 120.51 116.61 1fhs n ALA 40 Ca 0.19 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.73 1fhs n ALA 40 Cb 0.55 0.00 0.54 0.00 0.00 0.00 0.00 19.45 20.54 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 0.00 0.39 -1.76 0.00 -0.04 -1.26 -2.89 135.00 129.44 1fhs n PRO 41 Ca 0.00 0.07 -0.28 0.00 -0.04 0.00 0.00 63.50 63.24 1fhs n PRO 41 Cb 0.00 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.00 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 0.40 6.20 2.68 0.55 0.00 -1.26 -4.89 105.19 108.86 1fhs n GLY 42 Ca 0.11 -2.53 -0.22 0.00 0.00 0.00 0.00 46.02 43.38 1fhs n GLY 42 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1fhs s ASP 43 N -2.91 2.07 -0.23 1.61 -1.08 -1.14 -4.64 116.67 110.35 1fhs s ASP 43 Ca 0.56 -0.60 -0.02 0.00 -0.52 0.00 0.00 52.55 51.97 1fhs s ASP 43 Cb 0.45 0.11 0.07 0.00 -1.46 0.00 0.00 42.92 42.09 1fhs s ASP 43 CO 0.01 -0.36 0.05 -0.36 0.52 0.00 0.00 175.17 175.03 1fhs s PHE 44 N 2.24 1.19 -0.20 -5.34 0.08 -1.25 -3.27 117.98 111.43 1fhs s PHE 44 Ca 0.06 -1.10 -0.07 0.00 0.12 0.00 0.00 56.93 55.94 1fhs s PHE 44 Cb -0.16 -1.20 -0.04 0.00 -0.57 0.00 0.00 43.02 41.06 1fhs s PHE 44 CO -0.19 -0.69 0.06 -1.54 -0.10 0.00 0.00 175.22 172.75 1fhs s SER 45 N 1.80 5.43 -0.35 1.36 1.04 -1.25 0.68 113.70 122.40 1fhs s SER 45 Ca 0.02 -0.03 -0.20 0.00 0.48 0.00 0.00 55.95 56.22 1fhs s SER 45 Cb -0.17 -1.94 0.00 0.00 0.10 0.00 0.00 66.02 64.01 1fhs s SER 45 CO -0.14 0.10 0.64 -0.22 0.98 0.00 0.00 173.24 174.60 1fhs s LEU 46 N 0.80 4.25 0.06 2.42 0.20 0.12 -2.96 118.68 123.57 1fhs s LEU 46 Ca 0.03 0.17 -0.05 0.00 0.69 0.00 0.00 54.13 54.97 1fhs s LEU 46 Cb -0.14 -2.79 -0.05 0.00 -0.43 0.00 0.00 46.19 42.79 1fhs s LEU 46 CO 0.02 -0.58 0.30 -0.94 -0.29 0.00 0.00 176.35 174.86 1fhs s SER 47 N 1.78 6.49 -0.08 3.68 1.04 0.40 -0.29 113.70 126.72 1fhs s SER 47 Ca 0.24 0.54 -0.05 0.00 0.48 0.00 0.00 55.95 57.17 1fhs s SER 47 Cb -0.14 -2.08 0.03 0.00 0.10 0.00 0.00 66.02 63.93 1fhs s SER 47 CO 0.15 0.17 0.19 -0.69 0.98 0.00 0.00 173.24 174.04 1fhs s VAL 48 N -1.45 -0.02 -0.79 5.02 1.01 -0.78 -2.35 120.40 121.03 1fhs s VAL 48 Ca 0.33 0.09 -0.26 0.00 0.00 0.00 0.00 61.98 62.15 1fhs s VAL 48 Cb -0.13 -0.29 0.01 0.00 0.00 0.00 0.00 36.38 35.97 1fhs s VAL 48 CO 0.21 0.04 1.54 -0.75 0.00 0.00 0.00 175.10 176.13 1fhs s LYS 49 N 0.72 3.06 0.06 2.72 2.47 -0.91 0.27 119.74 128.13 1fhs s LYS 49 Ca -0.05 -0.23 -0.18 0.00 -1.56 0.00 0.00 55.97 53.95 1fhs s LYS 49 Cb -0.07 -4.59 -0.14 0.00 -1.46 0.00 0.00 37.83 31.57 1fhs s LYS 49 CO -0.04 -2.45 1.31 0.35 0.16 0.00 0.00 175.35 174.68 1fhs h PHE 50 N 11.31 0.67 0.00 4.03 3.57 -1.71 1.20 116.94 136.01 1fhs h PHE 50 Ca -0.13 -0.24 0.00 0.00 3.53 0.00 0.00 57.97 61.13 1fhs h PHE 50 Cb 1.06 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.68 1fhs h PHE 50 CO 1.15 0.97 0.00 0.41 -2.23 0.00 0.00 178.31 178.62 1fhs n GLY 51 N 0.43 -1.94 0.01 2.40 0.00 -1.26 -4.72 105.19 100.10 1fhs n GLY 51 Ca -0.06 0.55 -0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 -2.17 4.07 -4.57 1.61 5.15 -1.26 -4.80 115.26 113.29 1fhs n ASN 52 Ca 0.00 0.00 -0.27 0.00 -0.60 0.00 0.00 54.58 53.71 1fhs n ASN 52 Cb 0.00 0.84 -0.09 0.00 -0.53 0.00 0.00 39.78 39.99 1fhs n ASN 52 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1fhs s ASP 53 N -3.05 4.29 0.03 1.20 1.01 -1.26 -5.05 116.67 113.84 1fhs s ASP 53 Ca -0.02 -0.54 -0.30 0.00 0.71 0.00 0.00 52.55 52.40 1fhs s ASP 53 Cb 0.02 -0.75 -0.04 0.00 1.01 0.00 0.00 42.92 43.16 1fhs s ASP 53 CO 0.16 0.12 0.99 -0.69 0.21 0.00 0.00 175.17 175.96 1fhs s VAL 54 N -1.61 4.71 0.32 -1.27 1.01 -1.26 -2.79 120.40 119.50 1fhs s VAL 54 Ca 0.24 2.02 0.07 0.00 0.00 0.00 0.00 61.98 64.31 1fhs s VAL 54 Cb -0.09 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 31.98 1fhs s VAL 54 CO 0.15 0.20 0.41 -1.58 0.00 0.00 0.00 175.10 174.28 1fhs s GLN 55 N 0.73 3.06 -0.13 2.72 0.74 0.14 -4.92 119.66 122.01 1fhs s GLN 55 Ca 0.51 -1.05 -0.13 0.00 0.05 0.00 0.00 55.36 54.75 1fhs s GLN 55 Cb -0.22 -2.75 0.03 0.00 1.10 0.00 0.00 33.01 31.18 1fhs s GLN 55 CO 0.29 0.12 0.36 -1.01 -0.55 0.00 0.00 175.29 174.50 1fhs s HIS 56 N -2.18 -0.39 -0.16 1.67 3.76 -1.26 -1.87 115.29 114.86 1fhs s HIS 56 Ca 0.43 0.94 -0.03 0.00 -0.15 0.00 0.00 55.06 56.24 1fhs s HIS 56 Cb -0.09 0.13 0.05 0.00 1.11 0.00 0.00 32.58 33.79 1fhs s HIS 56 CO 0.30 -0.20 0.04 -0.06 -0.85 0.00 0.00 174.74 173.96 1fhs s PHE 57 N 0.11 0.78 -0.26 1.40 0.08 0.60 -4.92 117.98 115.78 1fhs s PHE 57 Ca -0.01 -0.61 -0.29 0.00 0.12 0.00 0.00 56.93 56.14 1fhs s PHE 57 Cb -0.03 -0.91 -0.01 0.00 -0.57 0.00 0.00 43.02 41.50 1fhs s PHE 57 CO 0.01 -0.53 1.35 0.15 -0.10 0.00 0.00 175.22 176.10 1fhs s LYS 58 N 1.94 3.96 -0.53 0.44 1.02 -1.26 0.16 119.74 125.47 1fhs s LYS 58 Ca 0.01 1.42 -0.28 0.00 0.02 0.00 0.00 55.97 57.14 1fhs s LYS 58 Cb -0.16 -3.89 0.03 0.00 -0.52 0.00 0.00 37.83 33.30 1fhs s LYS 58 CO -0.08 -1.06 1.11 0.08 -0.92 0.00 0.00 175.35 174.48 1fhs s VAL 59 N 4.34 4.18 0.34 3.17 1.01 0.22 -4.63 120.40 129.03 1fhs s VAL 59 Ca 0.59 0.91 0.03 0.00 0.00 0.00 0.00 61.98 63.50 1fhs s VAL 59 Cb -0.19 -4.63 -0.02 0.00 0.00 0.00 0.00 36.38 31.54 1fhs s VAL 59 CO 0.23 -1.15 0.52 -0.76 0.00 0.00 0.00 175.10 173.94 1fhs s LEU 60 N 4.52 3.99 0.00 3.92 1.43 -0.93 -3.75 118.68 127.85 1fhs s LEU 60 Ca 0.42 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.70 1fhs s LEU 60 Cb -0.08 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 43.09 1fhs s LEU 60 CO 0.27 -0.37 0.00 -1.14 0.23 0.00 0.00 176.35 175.34 1fhs n ARG 61 N -1.73 0.00 0.00 1.70 3.00 -1.26 -2.73 116.66 115.63 1fhs n ARG 61 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.82 1fhs n ARG 61 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.03 1fhs n ARG 61 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1fhs n ASP 62 N 5.50 0.00 0.00 6.15 2.03 0.85 -4.82 116.55 126.26 1fhs n ASP 62 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1fhs n ASP 62 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 0.00 2.43 1.05 0.27 0.00 -1.26 -4.86 105.19 102.82 1fhs n GLY 63 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 2.82 -1.26 4.61 0.00 -1.26 -4.75 120.51 120.67 1fhs n ALA 64 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1fhs n ALA 64 Cb 0.00 0.35 0.22 0.00 0.00 0.00 0.00 19.45 20.02 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 2.63 4.45 5.57 0.00 0.00 -1.26 -5.05 105.19 111.53 1fhs n GLY 65 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.92 0.00 -3.48 1.61 5.02 -1.26 -4.18 118.16 114.95 1fhs n LYS 66 Ca 0.45 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.38 1fhs n LYS 66 Cb 1.37 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 36.31 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 3.48 -0.13 2.13 2.02 -1.16 -0.10 117.35 123.60 1fhs s TYR 67 Ca 0.00 0.68 -0.11 0.00 -0.37 0.00 0.00 57.07 57.28 1fhs s TYR 67 Cb 0.00 -2.39 0.04 0.00 -0.40 0.00 0.00 41.96 39.21 1fhs s TYR 67 CO 0.00 0.24 0.33 -0.59 -1.57 0.00 0.00 175.55 173.96 1fhs s PHE 68 N 0.44 -0.38 -0.08 2.71 -0.12 -1.11 0.11 117.98 119.55 1fhs s PHE 68 Ca 0.19 0.91 -0.22 0.00 -0.05 0.00 0.00 56.93 57.76 1fhs s PHE 68 Cb -0.14 0.13 -0.29 0.00 -0.63 0.00 0.00 43.02 42.09 1fhs s PHE 68 CO 0.06 -0.20 0.79 -0.07 -0.05 0.00 0.00 175.22 175.75 1fhs h LEU 69 N 5.91 0.35 0.00 -1.99 3.38 -1.82 -2.48 115.31 118.66 1fhs h LEU 69 Ca -0.29 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 56.75 1fhs h LEU 69 Cb 1.18 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1fhs h LEU 69 CO 0.31 1.36 0.00 0.79 0.09 0.00 0.00 178.44 180.99 1fhs n TRP 70 N -4.19 0.00 0.00 1.13 8.01 -1.26 -4.91 117.44 116.21 1fhs n TRP 70 Ca -0.16 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.03 1fhs n TRP 70 Cb 0.77 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.07 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 -0.38 0.00 -1.61 -0.99 0.31 -1.26 -4.99 118.33 109.41 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 0.00 -0.60 -0.05 0.00 -0.91 0.00 0.00 33.84 32.27 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 -0.73 0.05 -1.12 2.52 0.24 -1.26 -4.91 118.33 113.13 1fhs n VAL 72 Ca 0.00 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 1fhs n VAL 72 Cb 0.00 -1.03 0.00 0.00 -1.47 0.00 0.00 33.84 31.34 1fhs n VAL 72 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1fhs n LYS 73 N 2.73 0.14 -3.74 7.34 4.01 -1.26 -4.45 118.16 122.92 1fhs n LYS 73 Ca 0.18 0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.85 1fhs n LYS 73 Cb 0.22 0.00 -0.12 0.00 -0.51 0.00 0.00 35.03 34.62 1fhs n LYS 73 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 1fhs s PHE 74 N -0.78 -0.37 0.64 2.13 0.08 0.29 -4.92 117.98 115.04 1fhs s PHE 74 Ca 0.00 0.87 0.36 0.00 0.12 0.00 0.00 56.93 58.28 1fhs s PHE 74 Cb 0.00 0.11 2.02 0.00 -0.57 0.00 0.00 43.02 44.58 1fhs s PHE 74 CO 0.00 -0.22 2.22 -0.91 -0.10 0.00 0.00 175.22 176.21 1fhs h ASN 75 N 6.51 0.00 -4.70 1.36 2.35 -1.94 -3.06 115.58 116.09 1fhs h ASN 75 Ca -0.33 0.00 0.14 0.00 -0.55 0.00 0.00 56.30 55.55 1fhs h ASN 75 Cb 1.18 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 39.40 1fhs h ASN 75 CO 0.34 0.00 0.53 -0.44 -1.65 0.00 0.00 177.43 176.21 1fhs s SER 76 N -5.36 -0.32 0.33 5.81 0.01 -1.26 -4.89 113.70 108.02 1fhs s SER 76 Ca -0.05 -0.05 0.11 0.00 1.31 0.00 0.00 55.95 57.28 1fhs s SER 76 Cb 0.13 0.37 0.98 0.00 0.21 0.00 0.00 66.02 67.71 1fhs s SER 76 CO 0.44 -0.61 1.67 -0.07 0.41 0.00 0.00 173.24 175.09 1fhs h LEU 77 N 2.00 0.45 -1.18 2.44 3.38 -1.95 1.22 115.31 121.66 1fhs h LEU 77 Ca -0.21 0.18 0.14 0.00 0.09 0.00 0.00 57.88 58.08 1fhs h LEU 77 Cb 1.23 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 42.05 1fhs h LEU 77 CO 0.29 -0.10 0.60 0.78 0.09 0.00 0.00 178.44 180.10 1fhs h ASN 78 N 0.35 0.75 0.59 -0.43 2.35 -1.97 0.63 115.58 117.84 1fhs h ASN 78 Ca 0.68 0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 56.39 1fhs h ASN 78 Cb 1.48 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.74 1fhs h ASN 78 CO -0.59 0.38 -0.40 -0.33 -1.65 0.00 0.00 177.43 174.83 1fhs h GLU 79 N 0.79 0.00 -0.01 0.81 3.07 0.11 0.74 114.58 120.10 1fhs h GLU 79 Ca 0.47 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.33 1fhs h GLU 79 Cb 0.66 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.57 1fhs h GLU 79 CO -0.24 0.40 -0.00 1.25 -1.40 0.00 0.00 179.01 179.03 1fhs h LEU 80 N 0.00 0.01 -1.28 1.33 6.46 0.97 0.73 115.31 123.53 1fhs h LEU 80 Ca -0.00 -0.38 0.00 0.00 -0.12 0.00 0.00 57.88 57.38 1fhs h LEU 80 Cb 0.81 -0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.70 1fhs h LEU 80 CO 0.05 0.39 0.44 0.58 -0.62 0.00 0.00 178.44 179.29 1fhs h VAL 81 N -0.36 1.19 -0.17 1.05 2.07 -0.23 -1.91 116.25 117.88 1fhs h VAL 81 Ca 0.00 -0.37 -0.16 0.00 0.82 0.00 0.00 66.70 66.99 1fhs h VAL 81 Cb 0.38 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1fhs h VAL 81 CO 0.00 0.19 -0.56 -0.78 0.02 0.00 0.00 177.57 176.44 1fhs h ASP 82 N 0.95 0.59 -0.54 0.57 3.58 0.71 -3.02 116.42 119.26 1fhs h ASP 82 Ca 0.25 -0.32 0.07 0.00 0.42 0.00 0.00 57.03 57.46 1fhs h ASP 82 Cb -0.08 -0.17 -0.06 0.00 1.72 0.00 0.00 39.33 40.74 1fhs h ASP 82 CO -0.05 1.03 0.22 0.22 -2.88 0.00 0.00 179.24 177.77 1fhs h TYR 83 N 0.41 0.39 0.00 0.28 3.20 0.12 0.69 116.97 122.05 1fhs h TYR 83 Ca 0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1fhs h TYR 83 Cb 1.10 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.28 1fhs h TYR 83 CO 0.04 0.14 0.00 1.58 -1.64 0.00 0.00 178.16 178.28 1fhs n HIS 84 N -4.97 0.00 -0.80 -3.82 -0.00 -0.93 -3.01 115.22 101.70 1fhs n HIS 84 Ca 0.06 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.16 1fhs n HIS 84 Cb 0.21 -0.47 -0.11 0.00 -0.12 0.00 0.00 29.99 29.50 1fhs n HIS 84 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 1fhs n ARG 85 N -1.47 1.60 0.00 1.57 3.00 0.24 -2.85 116.66 118.75 1fhs n ARG 85 Ca 0.02 -0.65 0.00 0.00 -0.00 0.00 0.00 57.85 57.22 1fhs n ARG 85 Cb 0.06 -1.67 0.00 0.00 0.00 0.00 0.00 32.46 30.85 1fhs n ARG 85 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1fhs n SER 86 N 2.21 0.00 0.00 6.15 2.88 -1.16 -5.08 113.62 118.61 1fhs n SER 86 Ca 0.28 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 1fhs n SER 86 Cb 0.75 0.03 0.00 0.00 -0.75 0.00 0.00 64.21 64.23 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 -1.64 0.00 -2.73 2.46 5.66 -1.13 -5.17 114.28 111.72 1fhs n THR 87 Ca 0.00 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.78 1fhs n THR 87 Cb 0.00 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 68.81 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 1.46 5.48 0.21 1.09 1.04 -1.26 -4.84 113.70 116.87 1fhs s SER 88 Ca 0.00 0.17 0.03 0.00 0.48 0.00 0.00 55.95 56.63 1fhs s SER 88 Cb 0.00 -1.19 0.15 0.00 0.10 0.00 0.00 66.02 65.08 1fhs s SER 88 CO 0.00 -0.99 1.49 -0.37 0.98 0.00 0.00 173.24 174.35 1fhs h VAL 89 N 0.14 1.42 -4.03 5.02 -1.51 -1.82 -3.48 116.25 111.99 1fhs h VAL 89 Ca -0.44 -2.18 -0.26 0.00 -1.23 0.00 0.00 66.70 62.59 1fhs h VAL 89 Cb 1.28 2.15 -0.07 0.00 -2.13 0.00 0.00 31.29 32.51 1fhs h VAL 89 CO 0.55 0.64 -0.14 -0.55 -1.23 0.00 0.00 177.57 176.84 1fhs s SER 90 N -6.92 0.88 0.32 4.19 0.15 -1.26 -5.01 113.70 106.05 1fhs s SER 90 Ca -0.04 -1.47 0.16 0.00 0.70 0.00 0.00 55.95 55.30 1fhs s SER 90 Cb 0.11 0.69 1.13 0.00 -1.71 0.00 0.00 66.02 66.24 1fhs s SER 90 CO 0.81 -1.35 1.39 0.54 1.20 0.00 0.00 173.24 175.84 1fhs n ARG 91 N -0.57 -0.06 -1.95 5.44 5.12 -1.26 -3.33 116.66 120.05 1fhs n ARG 91 Ca 0.00 1.23 -0.28 0.00 -1.93 0.00 0.00 57.85 56.87 1fhs n ARG 91 Cb 0.61 -2.18 -0.05 0.00 -1.16 0.00 0.00 32.46 29.69 1fhs n ARG 91 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 1fhs s ASN 92 N -4.63 4.95 -1.01 0.55 0.01 -1.26 -4.81 114.94 108.74 1fhs s ASN 92 Ca -0.08 -0.25 -0.22 0.00 -0.71 0.00 0.00 52.86 51.60 1fhs s ASN 92 Cb 0.30 -2.55 -0.11 0.00 0.41 0.00 0.00 41.25 39.30 1fhs s ASN 92 CO 0.69 -2.83 1.93 0.00 -1.51 0.00 0.00 177.10 175.37 1fhs n GLN 93 N 8.93 1.70 -2.32 -0.60 6.02 -1.21 -3.58 117.38 126.31 1fhs n GLN 93 Ca 0.36 -2.24 -0.02 0.00 -0.01 0.00 0.00 57.00 55.09 1fhs n GLN 93 Cb 0.48 -3.33 -0.03 0.00 1.02 0.00 0.00 30.24 28.38 1fhs n GLN 93 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1fhs n GLN 94 N 7.64 0.02 -4.19 -1.09 -0.06 -1.26 -5.00 117.38 113.44 1fhs n GLN 94 Ca 0.48 -0.37 -0.22 0.00 -2.00 0.00 0.00 57.00 54.88 1fhs n GLN 94 Cb 0.43 0.00 -0.17 0.00 -4.06 0.00 0.00 30.24 26.45 1fhs n GLN 94 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1fhs s ILE 95 N 0.00 0.68 -0.01 1.69 1.01 -1.24 -5.05 121.20 118.28 1fhs s ILE 95 Ca 0.00 -0.18 0.05 0.00 0.00 0.00 0.00 60.65 60.52 1fhs s ILE 95 Cb 0.01 -0.69 -0.01 0.00 0.01 0.00 0.00 42.46 41.77 1fhs s ILE 95 CO -0.00 0.26 -0.17 0.12 0.00 0.00 0.00 174.94 175.16 1fhs s PHE 96 N 1.03 1.50 -0.53 3.97 2.19 -1.26 -4.09 117.98 120.78 1fhs s PHE 96 Ca -0.09 -0.29 -0.21 0.00 0.33 0.00 0.00 56.93 56.67 1fhs s PHE 96 Cb -0.14 -0.97 0.06 0.00 -1.31 0.00 0.00 43.02 40.66 1fhs s PHE 96 CO -0.00 -0.03 0.74 -0.51 1.83 0.00 0.00 175.22 177.25 1fhs s LEU 97 N -0.37 4.70 0.23 6.12 1.43 -1.25 -4.07 118.68 125.46 1fhs s LEU 97 Ca 0.06 -0.77 0.07 0.00 -1.03 0.00 0.00 54.13 52.47 1fhs s LEU 97 Cb -0.07 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.56 1fhs s LEU 97 CO -0.01 -1.03 0.10 -0.60 0.23 0.00 0.00 176.35 175.05 1fhs s ARG 98 N 3.09 2.66 0.52 1.70 6.06 0.90 -4.97 118.95 128.92 1fhs s ARG 98 Ca 0.20 -1.13 -0.23 0.00 -2.50 0.00 0.00 55.73 52.07 1fhs s ARG 98 Cb -0.17 -2.43 -0.06 0.00 0.06 0.00 0.00 34.95 32.35 1fhs s ARG 98 CO 0.14 0.41 1.39 0.16 -2.50 0.00 0.00 175.30 174.90 1fhs s ASP 99 N -3.53 5.40 -0.42 -2.12 1.47 -1.26 -2.59 116.67 113.61 1fhs s ASP 99 Ca 0.31 2.83 0.05 0.00 1.18 0.00 0.00 52.55 56.92 1fhs s ASP 99 Cb -0.08 -2.64 0.66 0.00 -0.34 0.00 0.00 42.92 40.52 1fhs s ASP 99 CO 0.22 -1.49 1.88 0.00 0.68 0.00 0.00 175.17 176.47 1fhs n ILE 100 N -0.82 3.12 -3.54 2.11 3.06 -1.26 -4.69 119.36 117.34 1fhs n ILE 100 Ca 0.09 -1.83 -0.11 0.00 -2.50 0.00 0.00 62.75 58.40 1fhs n ILE 100 Cb 0.44 -0.47 -0.10 0.00 0.54 0.00 0.00 39.64 40.05 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 -3.17 0.28 -0.12 9.51 0.41 -1.26 -4.98 118.70 119.36 1fhs s GLU 101 Ca 0.55 0.74 -0.04 0.00 -0.41 0.00 0.00 54.97 55.81 1fhs s GLU 101 Cb 0.46 -0.14 0.06 0.00 -1.78 0.00 0.00 34.13 32.73 1fhs s GLU 101 CO 0.11 -0.42 0.20 -1.14 -0.49 0.00 0.00 175.26 173.52 1fhs s GLN 102 N 2.52 0.10 0.32 1.61 -0.44 -1.26 -5.00 119.66 117.50 1fhs s GLN 102 Ca 0.04 0.54 0.00 0.00 -2.50 0.00 0.00 55.36 53.44 1fhs s GLN 102 Cb -0.13 -0.42 0.00 0.00 -1.64 0.00 0.00 33.01 30.82 1fhs s GLN 102 CO -0.13 -0.38 0.00 1.33 0.50 0.00 0.00 175.29 176.62 1fhs n VAL 103 N 5.33 0.00 -1.62 1.34 0.24 -1.26 -5.10 118.33 117.27 1fhs n VAL 103 Ca -0.05 0.00 -0.61 0.00 -2.04 0.00 0.00 64.34 61.63 1fhs n VAL 103 Cb 0.50 -0.08 -0.09 0.00 -1.47 0.00 0.00 33.84 32.69 1fhs n VAL 103 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1fhs n PRO 104 N -3.20 0.48 -2.79 7.34 -0.02 -1.26 -4.89 135.00 130.67 1fhs n PRO 104 Ca 0.00 0.17 -0.06 0.00 -2.02 0.00 0.00 63.50 61.58 1fhs n PRO 104 Cb 0.00 -1.79 0.01 0.00 -0.02 0.00 0.00 33.50 31.70 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 5.52 0.59 0.00 -0.52 6.02 -1.26 -5.00 117.38 122.73 1fhs n GLN 105 Ca 0.35 -2.02 0.00 0.00 -0.01 0.00 0.00 57.00 55.32 1fhs n GLN 105 Cb 0.03 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 29.82 1fhs n GLN 105 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1fhs n GLN 106 N 2.58 0.00 -1.69 -1.09 6.02 -1.26 -5.05 117.38 116.88 1fhs n GLN 106 Ca 0.16 0.00 -0.54 0.00 -0.01 0.00 0.00 57.00 56.61 1fhs n GLN 106 Cb 0.57 -0.62 -0.06 0.00 1.02 0.00 0.00 30.24 31.16 1fhs n GLN 106 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1fhs n PRO 107 N -2.48 1.51 -2.41 -1.09 -0.02 -1.26 -3.94 135.00 125.31 1fhs n PRO 107 Ca 0.00 0.55 -0.01 0.00 -2.02 0.00 0.00 63.50 62.02 1fhs n PRO 107 Cb 0.34 -2.31 -0.01 0.00 -0.02 0.00 0.00 33.50 31.50 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 4.90 -9.51 -3.16 3.45 -1.04 -1.26 -5.05 114.28 102.60 1fhs n THR 108 Ca 0.26 2.17 0.05 0.00 -2.04 0.00 0.00 64.05 64.49 1fhs n THR 108 Cb 0.19 -4.94 -0.03 0.00 -1.82 0.00 0.00 70.33 63.73 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 -0.44 -0.07 -0.07 -1.42 5.04 -1.25 -5.13 117.35 114.01 1fhs s TYR 109 Ca -0.06 0.09 -0.30 0.00 -2.44 0.00 0.00 57.07 54.36 1fhs s TYR 109 Cb 0.00 0.03 -0.03 0.00 0.35 0.00 0.00 41.96 42.31 1fhs s TYR 109 CO 0.17 -0.04 1.26 0.54 -1.34 0.00 0.00 175.55 176.15 1fhs s VAL 110 N 2.54 4.15 -0.30 3.14 0.11 -1.26 -4.97 120.40 123.82 1fhs s VAL 110 Ca -0.05 1.47 -0.14 0.00 -2.93 0.00 0.00 61.98 60.33 1fhs s VAL 110 Cb -0.05 -3.95 0.15 0.00 -1.53 0.00 0.00 36.38 31.01 1fhs s VAL 110 CO -0.11 -0.03 0.89 -1.58 -3.33 0.00 0.00 175.10 170.94 1fhs s GLN 111 N 2.58 0.38 0.00 1.54 0.74 -1.26 -5.28 119.66 118.36 1fhs s GLN 111 Ca 0.57 0.92 0.11 0.00 0.05 0.00 0.00 55.36 57.01 1fhs s GLN 111 Cb -0.25 0.51 0.08 0.00 1.10 0.00 0.00 33.01 34.45 1fhs s GLN 111 CO 0.21 -0.12 0.83 0.00 -0.55 0.00 0.00 175.29 175.66