#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 0.00 -0.08 -0.61 2.07 -1.26 -5.12 121.20 116.20 1fhs s ILE 2 Ca 0.00 0.00 -0.41 0.00 -1.41 0.00 0.00 60.65 58.83 1fhs s ILE 2 Cb 0.00 -1.00 -0.20 0.00 0.13 0.00 0.00 42.46 41.39 1fhs s ILE 2 CO 0.00 0.00 1.21 -1.84 -1.91 0.00 0.00 174.94 172.40 1fhs n GLU 3 N 2.23 0.15 -3.26 3.50 0.28 -1.26 -4.86 120.64 117.42 1fhs n GLU 3 Ca -0.13 0.06 -0.41 0.00 -0.16 0.00 0.00 57.16 56.51 1fhs n GLU 3 Cb 0.57 -1.58 -0.08 0.00 1.43 0.00 0.00 31.44 31.78 1fhs n GLU 3 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 177.13 178.38 1fhs s MET 4 N 0.65 3.65 -0.24 3.44 -2.45 -1.26 -4.61 119.30 118.48 1fhs s MET 4 Ca 0.93 -0.16 -0.07 0.00 -1.25 0.00 0.00 55.69 55.14 1fhs s MET 4 Cb -1.27 -3.80 0.03 0.00 1.25 0.00 0.00 34.83 31.04 1fhs s MET 4 CO 0.60 -0.60 0.14 1.17 1.05 0.00 0.00 175.02 177.38 1fhs n LYS 5 N 5.68 -4.05 -1.68 4.11 4.81 -1.26 -4.79 118.16 120.98 1fhs n LYS 5 Ca -0.05 3.12 -0.58 0.00 -0.87 0.00 0.00 58.31 59.93 1fhs n LYS 5 Cb 0.49 -5.14 -0.07 0.00 0.02 0.00 0.00 35.03 30.33 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 1.23 0.91 -3.61 1.64 -0.02 -1.26 -4.93 135.00 128.95 1fhs n PRO 6 Ca -0.23 0.33 -0.40 0.00 -2.02 0.00 0.00 63.50 61.18 1fhs n PRO 6 Cb 0.36 -1.97 -0.09 0.00 -0.02 0.00 0.00 33.50 31.79 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 2.55 3.49 0.00 6.00 3.76 -1.26 -5.03 115.29 124.79 1fhs s HIS 7 Ca 0.96 -2.19 0.00 0.00 -0.15 0.00 0.00 55.06 53.68 1fhs s HIS 7 Cb -1.12 -3.42 0.00 0.00 1.11 0.00 0.00 32.58 29.15 1fhs s HIS 7 CO 0.63 -0.95 0.00 -0.35 -0.85 0.00 0.00 174.74 173.22 1fhs n PRO 8 N 4.41 0.00 -0.09 8.40 -0.04 -1.26 -4.64 135.00 141.79 1fhs n PRO 8 Ca -0.01 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.52 1fhs n PRO 8 Cb 0.41 0.00 0.26 0.00 -0.04 0.00 0.00 33.50 34.13 1fhs n PRO 8 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1fhs n TRP 9 N 0.00 0.24 -3.01 0.54 4.27 -1.26 -4.79 117.44 113.43 1fhs n TRP 9 Ca 0.00 -0.12 -0.43 0.00 -3.89 0.00 0.00 57.50 53.06 1fhs n TRP 9 Cb 0.00 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 29.89 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 -1.76 3.04 -0.21 -2.67 5.36 -1.26 -2.92 117.98 117.56 1fhs s PHE 10 Ca 0.23 0.18 -0.03 0.00 -0.96 0.00 0.00 56.93 56.35 1fhs s PHE 10 Cb 0.12 -3.50 -0.01 0.00 -0.34 0.00 0.00 43.02 39.29 1fhs s PHE 10 CO 0.18 -0.89 -0.05 -0.06 -1.46 0.00 0.00 175.22 172.93 1fhs s PHE 11 N 3.09 2.94 0.00 10.12 0.40 -1.05 -4.99 117.98 128.49 1fhs s PHE 11 Ca 0.28 -0.87 0.00 0.00 -0.60 0.00 0.00 56.93 55.74 1fhs s PHE 11 Cb -0.13 -2.07 0.00 0.00 0.51 0.00 0.00 43.02 41.34 1fhs s PHE 11 CO 0.20 -0.48 0.00 0.41 0.70 0.00 0.00 175.22 176.05 1fhs n GLY 12 N 4.57 -2.55 3.46 4.36 0.00 -1.26 -2.70 105.19 111.08 1fhs n GLY 12 Ca -0.18 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 44.65 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 2.03 -2.67 1.61 0.00 -1.24 -2.65 118.16 115.25 1fhs n LYS 13 Ca 0.00 -2.57 -0.42 0.00 -0.00 0.00 0.00 58.31 55.32 1fhs n LYS 13 Cb 0.00 -3.53 -0.03 0.00 -0.00 0.00 0.00 35.03 31.47 1fhs n LYS 13 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 1fhs s ILE 14 N 8.13 4.68 -0.13 0.58 1.10 -1.26 -4.95 121.20 129.35 1fhs s ILE 14 Ca 0.62 1.97 -0.39 0.00 -0.51 0.00 0.00 60.65 62.34 1fhs s ILE 14 Cb 0.04 -4.26 -0.16 0.00 0.15 0.00 0.00 42.46 38.22 1fhs s ILE 14 CO 0.11 0.18 1.55 -2.65 -2.11 0.00 0.00 174.94 172.01 1fhs n PRO 15 N 3.72 1.05 -0.29 3.50 -0.02 -1.26 -4.66 135.00 137.05 1fhs n PRO 15 Ca 0.06 0.38 0.22 0.00 -2.02 0.00 0.00 63.50 62.14 1fhs n PRO 15 Cb 0.50 -2.04 0.40 0.00 -0.02 0.00 0.00 33.50 32.35 1fhs n PRO 15 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1fhs n ARG 16 N 4.00 -0.06 0.00 -0.52 1.74 -1.26 0.01 116.66 120.57 1fhs n ARG 16 Ca 0.23 1.24 0.00 0.00 -0.77 0.00 0.00 57.85 58.55 1fhs n ARG 16 Cb 0.14 -2.11 0.00 0.00 -1.02 0.00 0.00 32.46 29.47 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 -2.72 -0.21 -0.37 7.54 0.00 -1.26 -1.36 120.51 122.13 1fhs n ALA 17 Ca 0.28 0.00 0.32 0.00 0.00 0.00 0.00 53.44 54.04 1fhs n ALA 17 Cb 0.93 0.02 0.55 0.00 0.00 0.00 0.00 19.45 20.96 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 -1.22 -0.03 0.16 0.00 3.00 0.10 0.86 118.16 121.02 1fhs n LYS 18 Ca 0.00 1.07 -0.06 0.00 -0.00 0.00 0.00 58.31 59.32 1fhs n LYS 18 Cb 0.00 -2.07 -0.03 0.00 0.00 0.00 0.00 35.03 32.93 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 1.40 -0.95 -0.41 3.14 0.00 -0.29 0.17 119.26 122.33 1fhs h ALA 19 Ca 0.73 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.64 1fhs h ALA 19 Cb 2.29 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 20.14 1fhs h ALA 19 CO -0.44 -0.92 -0.34 0.93 0.00 0.00 0.00 179.25 178.48 1fhs h GLU 20 N -0.46 -0.25 0.00 0.00 5.08 0.17 0.26 114.58 119.39 1fhs h GLU 20 Ca -0.04 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1fhs h GLU 20 Cb 0.31 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1fhs h GLU 20 CO 0.07 -0.16 0.00 0.39 -1.00 0.00 0.00 179.01 178.30 1fhs n GLU 21 N -5.42 0.00 -0.32 2.33 -0.58 0.17 0.12 120.64 116.94 1fhs n GLU 21 Ca 0.01 0.10 0.18 0.00 -0.42 0.00 0.00 57.16 57.03 1fhs n GLU 21 Cb 0.34 -0.78 0.36 0.00 -0.57 0.00 0.00 31.44 30.79 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 0.13 -0.31 3.49 -0.00 -0.65 1.29 114.93 118.89 1fhs h MET 22 Ca 0.00 -0.01 -0.09 0.00 -0.00 0.00 0.00 59.70 59.60 1fhs h MET 22 Cb 0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 31.60 31.56 1fhs h MET 22 CO 0.00 0.09 -0.19 1.25 -0.00 0.00 0.00 176.91 178.06 1fhs h LEU 23 N 0.14 0.56 -0.34 -0.10 5.85 -0.40 -2.47 115.31 118.55 1fhs h LEU 23 Ca 0.63 -0.18 -0.17 0.00 0.84 0.00 0.00 57.88 59.00 1fhs h LEU 23 Cb 1.39 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 1fhs h LEU 23 CO -0.74 0.76 -0.46 -1.28 -0.34 0.00 0.00 178.44 176.39 1fhs h SER 24 N 0.51 1.00 0.00 1.25 0.87 0.93 -3.03 113.55 115.08 1fhs h SER 24 Ca 0.08 -0.50 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1fhs h SER 24 Cb 0.62 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1fhs h SER 24 CO 0.04 1.30 0.00 0.29 -0.53 0.00 0.00 176.83 177.93 1fhs n LYS 25 N -4.04 0.66 -3.97 2.24 5.02 0.98 -4.82 118.16 114.22 1fhs n LYS 25 Ca -0.03 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.98 1fhs n LYS 25 Cb 0.59 -1.17 -0.04 0.00 -0.02 0.00 0.00 35.03 34.38 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 3.29 -0.99 1.97 -1.52 -1.15 -4.98 119.66 116.81 1fhs s GLN 26 Ca 0.00 -0.62 -0.24 0.00 -1.95 0.00 0.00 55.36 52.55 1fhs s GLN 26 Cb 0.00 -2.90 -0.03 0.00 -0.22 0.00 0.00 33.01 29.86 1fhs s GLN 26 CO 0.00 0.54 1.85 1.03 -0.25 0.00 0.00 175.29 178.45 1fhs s ARG 27 N -2.98 2.80 0.33 2.91 3.00 -1.26 -4.71 118.95 119.03 1fhs s ARG 27 Ca 0.33 -0.68 0.00 0.00 0.00 0.00 0.00 55.73 55.38 1fhs s ARG 27 Cb -0.11 -5.17 0.00 0.00 0.00 0.00 0.00 34.95 29.66 1fhs s ARG 27 CO 0.27 -3.23 0.00 0.72 0.00 0.00 0.00 175.30 173.06 1fhs n HIS 28 N 12.88 -2.52 -0.87 -0.53 8.25 -1.26 -4.83 115.22 126.33 1fhs n HIS 28 Ca 0.40 1.36 -0.33 0.00 -0.26 0.00 0.00 57.72 58.89 1fhs n HIS 28 Cb 0.48 -2.37 -0.04 0.00 1.12 0.00 0.00 29.99 29.18 1fhs n HIS 28 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1fhs n ASP 29 N -1.64 -0.30 0.00 0.41 2.03 -1.26 -4.03 116.55 111.76 1fhs n ASP 29 Ca 0.00 0.69 0.00 0.00 0.52 0.00 0.00 54.79 56.00 1fhs n ASP 29 Cb 0.16 -0.56 0.00 0.00 -0.72 0.00 0.00 41.12 40.01 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 1.01 4.39 3.56 0.27 0.00 -0.30 -4.65 105.19 109.47 1fhs n GLY 30 Ca 0.11 -0.70 -0.48 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.01 -2.48 4.61 0.00 -1.25 -2.21 120.51 118.16 1fhs n ALA 31 Ca 0.00 0.45 -0.08 0.00 0.00 0.00 0.00 53.44 53.80 1fhs n ALA 31 Cb 0.00 -1.97 -0.09 0.00 0.00 0.00 0.00 19.45 17.39 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 -0.48 0.27 -0.08 0.00 -0.71 -1.13 0.25 117.98 116.11 1fhs s PHE 32 Ca 0.70 -0.69 -0.20 0.00 -1.04 0.00 0.00 56.93 55.70 1fhs s PHE 32 Cb -0.84 -0.18 0.04 0.00 -1.21 0.00 0.00 43.02 40.83 1fhs s PHE 32 CO 0.55 -0.43 0.46 -0.48 -1.34 0.00 0.00 175.22 173.98 1fhs s LEU 33 N -2.60 0.22 -0.29 -1.99 0.05 -0.08 -4.83 118.68 109.17 1fhs s LEU 33 Ca 0.02 0.55 -0.07 0.00 0.05 0.00 0.00 54.13 54.68 1fhs s LEU 33 Cb 0.04 1.73 0.00 0.00 -2.05 0.00 0.00 46.19 45.91 1fhs s LEU 33 CO -0.08 -0.40 0.08 -0.63 -0.55 0.00 0.00 176.35 174.77 1fhs s ILE 34 N -0.76 4.01 -0.20 1.48 1.01 -1.15 -1.03 121.20 124.56 1fhs s ILE 34 Ca -0.08 -0.62 -0.09 0.00 0.00 0.00 0.00 60.65 59.85 1fhs s ILE 34 Cb -0.03 -3.04 -0.05 0.00 0.01 0.00 0.00 42.46 39.35 1fhs s ILE 34 CO 0.05 0.12 0.10 0.00 0.00 0.00 0.00 174.94 175.21 1fhs s ARG 35 N 1.52 4.07 0.36 2.79 1.70 -1.06 -2.54 118.95 125.78 1fhs s ARG 35 Ca 0.03 -0.29 -0.25 0.00 -0.47 0.00 0.00 55.73 54.75 1fhs s ARG 35 Cb -0.17 -3.35 -0.09 0.00 -0.57 0.00 0.00 34.95 30.77 1fhs s ARG 35 CO 0.03 0.24 1.02 -1.21 -1.08 0.00 0.00 175.30 174.29 1fhs s GLU 36 N 0.51 4.36 0.00 3.89 2.02 -1.08 -3.72 118.70 124.67 1fhs s GLU 36 Ca 0.06 1.48 0.00 0.00 0.02 0.00 0.00 54.97 56.53 1fhs s GLU 36 Cb -0.12 -2.69 0.00 0.00 0.10 0.00 0.00 34.13 31.42 1fhs s GLU 36 CO 0.00 0.04 0.00 -1.13 0.02 0.00 0.00 175.26 174.19 1fhs n SER 37 N 0.27 -1.58 -0.14 -0.19 3.41 -1.23 -3.62 113.62 110.54 1fhs n SER 37 Ca 0.03 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.36 1fhs n SER 37 Cb 0.49 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.34 1fhs n SER 37 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1fhs n GLU 38 N -1.58 0.58 -3.17 4.33 4.07 -1.26 -4.36 120.64 119.25 1fhs n GLU 38 Ca 0.00 0.24 -0.23 0.00 -0.06 0.00 0.00 57.16 57.12 1fhs n GLU 38 Cb 0.00 -1.47 -0.05 0.00 -0.06 0.00 0.00 31.44 29.86 1fhs n GLU 38 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1fhs n SER 39 N -4.14 1.94 0.00 4.31 2.88 -1.26 -4.88 113.62 112.47 1fhs n SER 39 Ca -0.53 -3.15 0.00 0.00 -1.33 0.00 0.00 58.87 53.86 1fhs n SER 39 Cb 0.89 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 1fhs n SER 39 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1fhs n ALA 40 N 0.53 0.00 0.36 -1.46 0.00 -1.26 -5.02 120.51 113.66 1fhs n ALA 40 Ca 0.26 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.73 1fhs n ALA 40 Cb 0.53 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.16 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 0.14 -1.16 0.00 -0.04 -1.26 -1.88 135.00 130.80 1fhs n PRO 41 Ca 0.00 0.14 -0.26 0.00 -0.04 0.00 0.00 63.50 63.34 1fhs n PRO 41 Cb 0.00 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.08 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 -0.66 4.78 3.17 0.55 0.00 -1.26 -4.84 105.19 106.93 1fhs n GLY 42 Ca 0.04 -1.43 -0.11 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.21 -0.10 0.12 1.61 1.01 -0.79 -4.82 116.67 112.50 1fhs s ASP 43 Ca 0.54 0.83 0.05 0.00 0.71 0.00 0.00 52.55 54.68 1fhs s ASP 43 Cb 0.44 1.01 -0.04 0.00 1.01 0.00 0.00 42.92 45.34 1fhs s ASP 43 CO 0.05 -0.23 -0.12 -0.36 0.21 0.00 0.00 175.17 174.73 1fhs s PHE 44 N 2.31 1.29 0.03 4.23 0.40 -1.24 -3.56 117.98 121.43 1fhs s PHE 44 Ca -0.02 -0.62 -0.02 0.00 -0.60 0.00 0.00 56.93 55.66 1fhs s PHE 44 Cb -0.11 -0.67 -0.02 0.00 0.51 0.00 0.00 43.02 42.72 1fhs s PHE 44 CO -0.11 0.10 0.02 -1.54 0.70 0.00 0.00 175.22 174.39 1fhs s SER 45 N -2.63 0.27 -0.23 1.36 1.04 -1.24 0.15 113.70 112.41 1fhs s SER 45 Ca 0.10 -0.62 0.01 0.00 0.48 0.00 0.00 55.95 55.93 1fhs s SER 45 Cb -0.03 0.17 0.04 0.00 0.10 0.00 0.00 66.02 66.30 1fhs s SER 45 CO 0.02 -0.45 -0.14 -0.22 0.98 0.00 0.00 173.24 173.43 1fhs s LEU 46 N -2.04 2.86 -0.13 2.42 0.20 0.18 -2.56 118.68 119.62 1fhs s LEU 46 Ca -0.07 -1.01 -0.03 0.00 0.69 0.00 0.00 54.13 53.72 1fhs s LEU 46 Cb -0.02 -1.54 -0.03 0.00 -0.43 0.00 0.00 46.19 44.17 1fhs s LEU 46 CO -0.04 -0.10 -0.03 -0.44 -0.29 0.00 0.00 176.35 175.44 1fhs s SER 47 N 1.21 4.90 -0.03 3.68 0.01 -0.19 -0.85 113.70 122.43 1fhs s SER 47 Ca -0.02 -0.05 0.02 0.00 1.31 0.00 0.00 55.95 57.21 1fhs s SER 47 Cb -0.17 -1.63 0.01 0.00 0.21 0.00 0.00 66.02 64.45 1fhs s SER 47 CO -0.08 0.24 -0.06 -0.69 0.41 0.00 0.00 173.24 173.06 1fhs s VAL 48 N -0.08 0.57 -0.67 3.43 1.01 -1.07 -0.90 120.40 122.70 1fhs s VAL 48 Ca 0.02 -0.21 -0.26 0.00 0.00 0.00 0.00 61.98 61.53 1fhs s VAL 48 Cb -0.13 -0.55 -0.13 0.00 0.00 0.00 0.00 36.38 35.58 1fhs s VAL 48 CO 0.02 0.20 2.45 1.17 0.00 0.00 0.00 175.10 178.95 1fhs n LYS 49 N 3.56 0.70 -3.78 2.72 3.00 0.14 -2.25 118.16 122.25 1fhs n LYS 49 Ca -0.21 -0.20 -0.36 0.00 -0.00 0.00 0.00 58.31 57.54 1fhs n LYS 49 Cb 0.53 -3.05 -0.13 0.00 0.00 0.00 0.00 35.03 32.39 1fhs n LYS 49 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 1fhs s PHE 50 N 11.58 3.08 0.00 5.64 5.36 -0.34 -1.15 117.98 142.16 1fhs s PHE 50 Ca 1.05 -0.71 0.00 0.00 -0.96 0.00 0.00 56.93 56.31 1fhs s PHE 50 Cb -0.38 -2.22 0.00 0.00 -0.34 0.00 0.00 43.02 40.08 1fhs s PHE 50 CO 0.28 -0.47 0.00 0.41 -1.46 0.00 0.00 175.22 173.97 1fhs n GLY 51 N 4.88 0.23 0.00 13.12 0.00 -1.26 -1.15 105.19 121.01 1fhs n GLY 51 Ca -0.16 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 5.25 4.24 -3.36 1.61 5.15 -1.26 -4.50 115.26 122.38 1fhs n ASN 52 Ca 0.00 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.85 1fhs n ASN 52 Cb 0.00 0.56 -0.00 0.00 -0.53 0.00 0.00 39.78 39.81 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 -1.61 1.85 -4.53 1.20 2.03 -0.30 -4.99 116.55 110.21 1fhs n ASP 53 Ca 0.00 -1.91 -0.36 0.00 0.52 0.00 0.00 54.79 53.04 1fhs n ASP 53 Cb 0.29 -0.02 -0.11 0.00 -0.72 0.00 0.00 41.12 40.56 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 -1.31 4.70 0.31 5.18 1.01 -1.26 -1.20 120.40 127.83 1fhs s VAL 54 Ca 0.15 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.13 1fhs s VAL 54 Cb -0.01 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.16 1fhs s VAL 54 CO 0.09 0.34 0.45 -1.58 0.00 0.00 0.00 175.10 174.41 1fhs s GLN 55 N 1.38 3.26 -0.03 2.72 0.74 -0.95 -4.95 119.66 121.83 1fhs s GLN 55 Ca 0.06 -0.81 -0.01 0.00 0.05 0.00 0.00 55.36 54.65 1fhs s GLN 55 Cb -0.15 -2.81 0.02 0.00 1.10 0.00 0.00 33.01 31.18 1fhs s GLN 55 CO 0.05 0.17 0.05 -1.58 -0.55 0.00 0.00 175.29 173.44 1fhs s HIS 56 N -2.15 -0.03 -0.25 1.67 5.65 -1.26 -2.58 115.29 116.34 1fhs s HIS 56 Ca 0.41 0.18 -0.03 0.00 0.25 0.00 0.00 55.06 55.87 1fhs s HIS 56 Cb -0.09 -0.12 0.08 0.00 -1.18 0.00 0.00 32.58 31.27 1fhs s HIS 56 CO 0.31 -0.08 0.10 -0.06 -0.65 0.00 0.00 174.74 174.36 1fhs s PHE 57 N 0.70 0.75 -0.22 3.88 0.08 -0.03 -4.94 117.98 118.21 1fhs s PHE 57 Ca -0.06 -0.95 -0.28 0.00 0.12 0.00 0.00 56.93 55.76 1fhs s PHE 57 Cb -0.08 -1.06 -0.04 0.00 -0.57 0.00 0.00 43.02 41.26 1fhs s PHE 57 CO -0.02 -0.73 2.02 0.15 -0.10 0.00 0.00 175.22 176.53 1fhs s LYS 58 N 1.95 3.37 -1.27 0.44 -0.14 -1.26 0.50 119.74 123.34 1fhs s LYS 58 Ca 0.06 1.90 -0.17 0.00 -1.36 0.00 0.00 55.97 56.40 1fhs s LYS 58 Cb -0.16 -4.27 -0.01 0.00 -1.68 0.00 0.00 37.83 31.71 1fhs s LYS 58 CO -0.23 -1.82 2.07 0.28 -0.76 0.00 0.00 175.35 174.89 1fhs n VAL 59 N 7.27 3.08 -1.67 3.17 0.31 0.38 -4.58 118.33 126.30 1fhs n VAL 59 Ca 0.26 -2.81 -0.29 0.00 -0.01 0.00 0.00 64.34 61.48 1fhs n VAL 59 Cb 0.45 -2.48 0.11 0.00 -0.91 0.00 0.00 33.84 31.00 1fhs n VAL 59 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1fhs s LEU 60 N 2.78 2.34 0.00 7.52 1.43 -0.91 -3.72 118.68 128.12 1fhs s LEU 60 Ca 0.52 1.01 0.00 0.00 -1.03 0.00 0.00 54.13 54.62 1fhs s LEU 60 Cb 0.12 -3.48 0.00 0.00 0.03 0.00 0.00 46.19 42.86 1fhs s LEU 60 CO -0.00 -2.15 0.00 -2.11 0.23 0.00 0.00 176.35 172.32 1fhs n ARG 61 N -3.51 0.02 0.00 1.70 1.85 -1.25 0.13 116.66 115.59 1fhs n ARG 61 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.92 1fhs n ARG 61 Cb 0.59 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.00 1fhs n ARG 61 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1fhs n ASP 62 N 0.00 0.00 -0.39 2.89 2.03 -1.15 -4.76 116.55 115.17 1fhs n ASP 62 Ca 0.00 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.26 1fhs n ASP 62 Cb 0.00 -0.17 -0.02 0.00 -0.72 0.00 0.00 41.12 40.21 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 -0.97 -2.22 0.00 0.27 0.00 -1.26 -3.97 105.19 97.05 1fhs n GLY 63 Ca 0.00 1.11 0.00 0.00 0.00 0.00 0.00 46.02 47.13 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 -3.40 0.00 0.00 4.61 0.00 -1.26 -5.01 120.51 115.45 1fhs n ALA 64 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1fhs n ALA 64 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 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 0.00 0.32 0.00 0.00 0.00 -1.25 -5.15 105.19 99.11 1fhs n GLY 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.59 1.61 5.02 -1.26 -4.68 118.16 116.26 1fhs n LYS 66 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 1fhs n LYS 66 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 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 -1.68 3.53 -0.21 2.13 2.02 -1.18 -2.94 117.35 119.02 1fhs s TYR 67 Ca 0.00 1.02 -0.32 0.00 -0.37 0.00 0.00 57.07 57.39 1fhs s TYR 67 Cb 0.00 -2.45 0.15 0.00 -0.40 0.00 0.00 41.96 39.26 1fhs s TYR 67 CO 0.00 -0.28 1.21 -0.59 -1.57 0.00 0.00 175.55 174.32 1fhs s PHE 68 N -2.66 -0.15 -0.18 2.71 -0.71 0.34 0.14 117.98 117.48 1fhs s PHE 68 Ca 0.51 0.18 -0.11 0.00 -1.04 0.00 0.00 56.93 56.47 1fhs s PHE 68 Cb -0.10 0.50 -0.22 0.00 -1.21 0.00 0.00 43.02 41.99 1fhs s PHE 68 CO 0.40 -0.18 0.19 1.28 -1.34 0.00 0.00 175.22 175.56 1fhs n LEU 69 N 0.25 2.37 0.00 -1.99 4.32 -1.26 -2.14 117.00 118.55 1fhs n LEU 69 Ca -0.02 0.25 0.00 0.00 -0.02 0.00 0.00 56.01 56.22 1fhs n LEU 69 Cb 0.58 -1.02 0.00 0.00 -1.62 0.00 0.00 43.42 41.36 1fhs n LEU 69 CO 0.10 0.66 -0.08 0.79 -1.22 0.00 0.00 177.39 177.64 1fhs n TRP 70 N -3.83 0.00 0.00 -1.77 8.01 -1.26 -4.88 117.44 113.71 1fhs n TRP 70 Ca -0.36 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 55.83 1fhs n TRP 70 Cb 0.91 0.13 0.00 0.00 -2.01 0.00 0.00 31.31 30.34 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 -1.94 0.00 -1.60 -0.99 0.31 -1.26 -5.08 118.33 107.77 1fhs n VAL 71 Ca 0.00 0.00 -0.51 0.00 -0.01 0.00 0.00 64.34 63.82 1fhs n VAL 71 Cb 0.08 -0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.95 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 -0.51 0.15 -3.96 2.52 0.24 -1.26 -4.87 118.33 110.65 1fhs n VAL 72 Ca 0.00 -0.04 -0.32 0.00 -2.04 0.00 0.00 64.34 61.94 1fhs n VAL 72 Cb 0.00 -0.91 -0.05 0.00 -1.47 0.00 0.00 33.84 31.41 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 0.38 3.31 0.12 7.34 1.02 -1.26 -4.32 119.74 126.34 1fhs s LYS 73 Ca 0.82 -0.44 0.09 0.00 0.02 0.00 0.00 55.97 56.46 1fhs s LYS 73 Cb -0.90 -2.99 -0.04 0.00 -0.52 0.00 0.00 37.83 33.38 1fhs s LYS 73 CO 0.47 0.63 -0.20 -0.06 -0.92 0.00 0.00 175.35 175.27 1fhs s PHE 74 N -1.39 2.49 -0.24 3.18 0.08 0.12 -4.95 117.98 117.28 1fhs s PHE 74 Ca 0.30 -0.29 0.28 0.00 0.12 0.00 0.00 56.93 57.34 1fhs s PHE 74 Cb -0.13 -1.32 0.84 0.00 -0.57 0.00 0.00 43.02 41.84 1fhs s PHE 74 CO 0.22 0.38 1.78 -2.95 -0.10 0.00 0.00 175.22 174.56 1fhs h ASN 75 N 3.74 0.00 -4.41 1.36 -1.07 -1.94 -3.13 115.58 110.13 1fhs h ASN 75 Ca -0.50 0.00 0.08 0.00 0.07 0.00 0.00 56.30 55.95 1fhs h ASN 75 Cb 1.17 0.00 -0.19 0.00 -2.07 0.00 0.00 38.32 37.22 1fhs h ASN 75 CO 0.45 0.00 0.49 -0.94 0.07 0.00 0.00 177.43 177.50 1fhs s SER 76 N -5.77 -0.39 0.28 6.14 1.04 -1.26 -4.97 113.70 108.77 1fhs s SER 76 Ca 0.05 0.27 0.02 0.00 0.48 0.00 0.00 55.95 56.77 1fhs s SER 76 Cb 0.07 0.36 0.69 0.00 0.10 0.00 0.00 66.02 67.24 1fhs s SER 76 CO 0.60 -0.48 1.68 -0.07 0.98 0.00 0.00 173.24 175.95 1fhs h LEU 77 N 2.37 0.18 -1.00 2.42 3.38 -2.00 1.21 115.31 121.88 1fhs h LEU 77 Ca -0.21 0.17 0.21 0.00 0.09 0.00 0.00 57.88 58.14 1fhs h LEU 77 Cb 1.19 0.19 -0.11 0.00 0.09 0.00 0.00 40.66 42.01 1fhs h LEU 77 CO 0.32 -0.06 0.59 0.78 0.09 0.00 0.00 178.44 180.16 1fhs h ASN 78 N 0.31 0.72 0.80 -0.43 2.35 -1.98 1.28 115.58 118.64 1fhs h ASN 78 Ca 0.54 0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 56.36 1fhs h ASN 78 Cb 1.04 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.40 1fhs h ASN 78 CO -0.57 0.20 -0.20 -0.08 -1.65 0.00 0.00 177.43 175.13 1fhs h GLU 79 N 0.68 0.00 0.45 0.81 4.57 0.11 0.11 114.58 121.31 1fhs h GLU 79 Ca 0.60 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.76 1fhs h GLU 79 Cb 1.03 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.62 1fhs h GLU 79 CO -0.42 0.20 -0.22 1.25 -1.18 0.00 0.00 179.01 178.64 1fhs h LEU 80 N 0.00 -0.51 -1.22 1.64 6.46 0.24 0.81 115.31 122.73 1fhs h LEU 80 Ca -0.00 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.70 1fhs h LEU 80 Cb 0.66 0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.72 1fhs h LEU 80 CO 0.03 -0.09 0.54 0.58 -0.62 0.00 0.00 178.44 178.87 1fhs h VAL 81 N -1.07 0.00 0.09 1.05 2.07 -0.39 1.14 116.25 119.13 1fhs h VAL 81 Ca -0.06 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.11 1fhs h VAL 81 Cb 0.54 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1fhs h VAL 81 CO 0.10 0.00 -1.90 0.47 0.02 0.00 0.00 177.57 176.26 1fhs n ASP 82 N -2.64 1.77 -0.14 0.57 8.00 0.01 0.14 116.55 124.27 1fhs n ASP 82 Ca -0.01 0.28 -0.04 0.00 0.71 0.00 0.00 54.79 55.73 1fhs n ASP 82 Cb 0.57 -0.65 0.03 0.00 -0.02 0.00 0.00 41.12 41.04 1fhs n ASP 82 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1fhs h TYR 83 N 0.05 -0.33 0.52 1.24 3.20 0.82 -0.68 116.97 121.80 1fhs h TYR 83 Ca -0.38 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.51 1fhs h TYR 83 Cb 2.03 0.22 0.01 0.00 1.54 0.00 0.00 36.73 40.53 1fhs h TYR 83 CO 0.06 -0.23 -0.25 0.45 -1.64 0.00 0.00 178.16 176.54 1fhs h HIS 84 N -0.04 -0.65 0.00 -3.82 3.86 -0.90 -3.45 115.15 110.15 1fhs h HIS 84 Ca 0.22 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 1fhs h HIS 84 Cb 0.38 0.22 0.00 0.00 1.06 0.00 0.00 27.41 29.07 1fhs h HIS 84 CO -0.42 -0.41 0.00 -2.13 0.86 0.00 0.00 177.93 175.83 1fhs n ARG 85 N -4.04 0.00 0.00 2.45 3.00 0.38 -3.58 116.66 114.87 1fhs n ARG 85 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.76 1fhs n ARG 85 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.74 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 1.56 0.00 0.00 6.15 2.88 -1.26 -4.89 113.62 118.06 1fhs n SER 86 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1fhs n SER 86 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.00 0.00 0.00 2.46 5.66 -1.23 -4.31 114.28 116.86 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 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1fhs n THR 87 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1fhs n SER 88 N 0.00 0.00 0.00 1.09 7.64 -1.26 -4.75 113.62 116.33 1fhs n SER 88 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1fhs n SER 88 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1fhs n SER 88 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1fhs n VAL 89 N 0.00 0.00 0.00 0.44 0.24 -1.26 -3.77 118.33 113.97 1fhs n VAL 89 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1fhs n VAL 89 Cb 0.00 -0.41 0.00 0.00 -1.47 0.00 0.00 33.84 31.96 1fhs n VAL 89 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1fhs n SER 90 N 0.30 0.00 0.00 -1.34 2.88 -1.26 -5.01 113.62 109.19 1fhs n SER 90 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1fhs n SER 90 Cb 0.12 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 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 -0.30 0.00 0.19 -1.46 3.00 -1.25 -4.57 116.66 112.27 1fhs n ARG 91 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 57.85 57.90 1fhs n ARG 91 Cb 0.00 -0.85 0.27 0.00 0.00 0.00 0.00 32.46 31.88 1fhs n ARG 91 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 1fhs h ASN 92 N 0.00 0.00 0.00 0.55 2.35 -1.95 -3.47 115.58 113.07 1fhs h ASN 92 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1fhs h ASN 92 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1fhs h ASN 92 CO 0.00 0.35 0.00 0.00 -1.65 0.00 0.00 177.43 176.13 1fhs n GLN 93 N -3.35 0.00 -3.66 0.81 3.00 -1.26 -5.16 117.38 107.75 1fhs n GLN 93 Ca 0.01 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.89 1fhs n GLN 93 Cb 0.56 0.00 -0.11 0.00 0.00 0.00 0.00 30.24 30.68 1fhs n GLN 93 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 1fhs s GLN 94 N 1.91 0.24 0.00 -1.09 -1.52 -1.26 -4.72 119.66 113.21 1fhs s GLN 94 Ca 0.00 0.88 0.00 0.00 -1.95 0.00 0.00 55.36 54.29 1fhs s GLN 94 Cb 0.00 0.13 0.00 0.00 -0.22 0.00 0.00 33.01 32.92 1fhs s GLN 94 CO 0.00 -0.26 0.00 -0.89 -0.25 0.00 0.00 175.29 173.89 1fhs n ILE 95 N 5.29 0.00 -3.75 1.08 2.08 -1.26 -4.87 119.36 117.93 1fhs n ILE 95 Ca -0.09 0.00 -0.13 0.00 0.56 0.00 0.00 62.75 63.09 1fhs n ILE 95 Cb 0.50 -0.96 -0.09 0.00 -0.75 0.00 0.00 39.64 38.34 1fhs n ILE 95 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 1fhs s PHE 96 N 1.34 -0.30 -0.82 1.39 0.08 -1.26 -4.53 117.98 113.88 1fhs s PHE 96 Ca 0.00 0.63 0.01 0.00 0.12 0.00 0.00 56.93 57.69 1fhs s PHE 96 Cb 0.00 0.12 0.22 0.00 -0.57 0.00 0.00 43.02 42.79 1fhs s PHE 96 CO 0.00 -0.30 0.75 1.28 -0.10 0.00 0.00 175.22 176.85 1fhs n LEU 97 N 2.04 3.96 0.00 -0.37 4.77 -1.24 -4.00 117.00 122.16 1fhs n LEU 97 Ca -0.17 -5.21 0.00 0.00 -0.03 0.00 0.00 56.01 50.60 1fhs n LEU 97 Cb 0.57 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 1fhs n LEU 97 CO 0.18 1.70 0.00 0.54 -1.33 0.00 0.00 177.39 178.48 1fhs n ARG 98 N 1.92 0.00 0.00 3.23 1.74 -0.94 -4.92 116.66 117.69 1fhs n ARG 98 Ca 0.23 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 1fhs n ARG 98 Cb 0.37 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.81 1fhs n ARG 98 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1fhs n ASP 99 N 0.00 0.00 0.00 0.55 2.03 -1.26 -2.84 116.55 115.03 1fhs n ASP 99 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1fhs n ASP 99 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1fhs n ASP 99 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1fhs n ILE 100 N 0.00 0.00 -3.13 5.18 3.06 -1.26 -4.19 119.36 119.01 1fhs n ILE 100 Ca 0.00 0.00 -0.40 0.00 -2.50 0.00 0.00 62.75 59.85 1fhs n ILE 100 Cb 0.00 0.00 -0.06 0.00 0.54 0.00 0.00 39.64 40.12 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 0.00 4.14 0.43 9.51 0.41 -1.26 -4.93 118.70 126.99 1fhs s GLU 101 Ca 0.00 0.53 -0.25 0.00 -0.41 0.00 0.00 54.97 54.84 1fhs s GLU 101 Cb 0.00 -3.63 -0.08 0.00 -1.78 0.00 0.00 34.13 28.64 1fhs s GLU 101 CO 0.00 -0.35 1.27 1.14 -0.49 0.00 0.00 175.26 176.83 1fhs s GLN 102 N 2.29 3.87 0.46 1.61 0.00 -1.26 -4.91 119.66 121.72 1fhs s GLN 102 Ca 0.26 2.06 -0.21 0.00 -0.00 0.00 0.00 55.36 57.47 1fhs s GLN 102 Cb -0.16 -2.65 -0.12 0.00 0.00 0.00 0.00 33.01 30.08 1fhs s GLN 102 CO 0.09 -0.54 0.40 1.55 0.00 0.00 0.00 175.29 176.79 1fhs n VAL 103 N -0.08 1.53 -1.77 3.63 3.14 -1.26 -4.75 118.33 118.76 1fhs n VAL 103 Ca 0.05 -0.50 -0.42 0.00 -2.96 0.00 0.00 64.34 60.51 1fhs n VAL 103 Cb 0.45 -0.44 -0.03 0.00 -1.06 0.00 0.00 33.84 32.76 1fhs n VAL 103 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 1fhs s PRO 104 N -1.55 4.15 0.19 1.45 0.02 -1.26 -4.64 135.00 133.36 1fhs s PRO 104 Ca 0.63 2.55 0.00 0.00 0.02 0.00 0.00 61.00 64.20 1fhs s PRO 104 Cb -0.56 -3.23 0.00 0.00 0.02 0.00 0.00 34.50 30.73 1fhs s PRO 104 CO 0.59 -0.75 0.00 1.04 -0.33 0.00 0.00 177.00 177.55 1fhs n GLN 105 N 4.46 -3.17 -2.62 5.54 1.13 -1.26 -4.22 117.38 117.23 1fhs n GLN 105 Ca 0.16 2.34 -0.41 0.00 -1.94 0.00 0.00 57.00 57.15 1fhs n GLN 105 Cb 0.37 -2.48 -0.04 0.00 0.11 0.00 0.00 30.24 28.19 1fhs n GLN 105 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1fhs s GLN 106 N -2.48 4.66 -0.09 -1.09 -0.44 -1.26 -4.83 119.66 114.13 1fhs s GLN 106 Ca 0.00 1.59 -0.30 0.00 -2.50 0.00 0.00 55.36 54.16 1fhs s GLN 106 Cb 0.00 -3.32 -0.04 0.00 -1.64 0.00 0.00 33.01 28.01 1fhs s GLN 106 CO 0.00 0.17 1.47 -1.25 0.50 0.00 0.00 175.29 176.18 1fhs s PRO 107 N -0.28 4.21 0.31 1.67 0.04 -1.26 -4.65 135.00 135.04 1fhs s PRO 107 Ca 0.48 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.48 1fhs s PRO 107 Cb -0.27 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 30.43 1fhs s PRO 107 CO 0.33 -0.76 0.00 2.41 0.04 0.00 0.00 177.00 179.02 1fhs n THR 108 N 5.32 -5.28 -1.71 1.26 -1.04 -1.26 -4.98 114.28 106.60 1fhs n THR 108 Ca 0.15 2.23 0.00 0.00 -2.04 0.00 0.00 64.05 64.39 1fhs n THR 108 Cb 0.44 -3.13 0.00 0.00 -1.82 0.00 0.00 70.33 65.81 1fhs n THR 108 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1fhs n TYR 109 N 0.40 -4.01 -2.69 -1.42 4.19 -1.26 -5.02 117.16 107.34 1fhs n TYR 109 Ca 0.00 2.35 -0.06 0.00 3.31 0.00 0.00 57.90 63.49 1fhs n TYR 109 Cb 0.00 -3.36 0.08 0.00 0.49 0.00 0.00 39.34 36.55 1fhs n TYR 109 CO 0.00 0.00 0.00 1.55 0.91 0.00 0.00 176.86 179.32 1fhs n VAL 110 N 1.26 0.00 -2.24 2.97 3.14 -1.26 -4.84 118.33 117.36 1fhs n VAL 110 Ca 0.00 -1.25 -0.22 0.00 -2.96 0.00 0.00 64.34 59.91 1fhs n VAL 110 Cb 0.00 0.91 0.02 0.00 -1.06 0.00 0.00 33.84 33.71 1fhs n VAL 110 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1fhs n GLN 111 N -0.50 3.32 0.00 1.45 6.02 -1.26 -5.13 117.38 121.28 1fhs n GLN 111 Ca -0.09 -4.17 0.00 0.00 -0.01 0.00 0.00 57.00 52.73 1fhs n GLN 111 Cb 0.78 -2.18 0.00 0.00 1.02 0.00 0.00 30.24 29.87 1fhs n GLN 111 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05