#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f9a s ARG 2 N 0.00 2.96 0.27 1.96 0.52 -1.26 -0.96 118.95 122.44 1f9a s ARG 2 Ca 0.00 -0.57 0.08 0.00 -0.52 0.00 0.00 55.73 54.73 1f9a s ARG 2 Cb 0.00 -2.79 -0.04 0.00 0.52 0.00 0.00 34.95 32.64 1f9a s ARG 2 CO 0.00 0.62 0.09 0.20 0.02 0.00 0.00 175.30 176.23 1f9a s GLY 3 N -1.88 1.59 -0.03 -3.53 0.00 0.30 -1.69 107.32 102.08 1f9a s GLY 3 Ca 0.24 -1.58 0.05 0.00 0.00 0.00 0.00 44.72 43.43 1f9a s GLY 3 CO 0.15 -1.62 -0.18 -0.12 0.00 0.00 0.00 173.10 171.33 1f9a s PHE 4 N -2.26 1.71 0.09 1.90 5.36 0.08 0.02 117.98 124.88 1f9a s PHE 4 Ca 0.33 -0.42 0.05 0.00 -0.96 0.00 0.00 56.93 55.93 1f9a s PHE 4 Cb -0.07 -1.13 -0.03 0.00 -0.34 0.00 0.00 43.02 41.45 1f9a s PHE 4 CO 0.22 -0.10 -0.13 -1.50 -1.46 0.00 0.00 175.22 172.25 1f9a s ILE 5 N -0.18 1.08 0.00 3.12 2.07 -0.64 -1.07 121.20 125.58 1f9a s ILE 5 Ca 0.01 -1.47 0.03 0.00 -1.41 0.00 0.00 60.65 57.82 1f9a s ILE 5 Cb -0.10 -1.22 -0.01 0.00 0.13 0.00 0.00 42.46 41.27 1f9a s ILE 5 CO 0.01 -0.36 -0.11 -0.51 -1.91 0.00 0.00 174.94 172.06 1f9a s ILE 6 N -1.78 0.83 0.32 2.00 2.07 -1.26 -1.09 121.20 122.29 1f9a s ILE 6 Ca 0.02 -0.55 -0.09 0.00 -1.41 0.00 0.00 60.65 58.63 1f9a s ILE 6 Cb -0.07 -0.71 0.01 0.00 0.13 0.00 0.00 42.46 41.82 1f9a s ILE 6 CO 0.02 0.16 0.54 -0.83 -1.91 0.00 0.00 174.94 172.92 1f9a s GLY 7 N -0.43 0.94 -0.08 1.50 0.00 -0.96 -4.98 107.32 103.32 1f9a s GLY 7 Ca 0.03 -1.15 0.12 0.00 0.00 0.00 0.00 44.72 43.73 1f9a s GLY 7 CO -0.00 -0.73 0.54 0.54 0.00 0.00 0.00 173.10 173.45 1f9a n ARG 8 N -0.50 0.65 -3.48 2.90 1.74 -1.26 -0.56 116.66 116.15 1f9a n ARG 8 Ca -0.02 0.24 -0.20 0.00 -0.77 0.00 0.00 57.85 57.11 1f9a n ARG 8 Cb 0.61 -1.74 0.06 0.00 -1.02 0.00 0.00 32.46 30.37 1f9a n ARG 8 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1f9a n PHE 9 N -3.02 -2.17 -3.85 -1.55 3.01 -1.26 -4.75 117.46 103.87 1f9a n PHE 9 Ca -0.21 0.80 -0.29 0.00 1.01 0.00 0.00 57.45 58.77 1f9a n PHE 9 Cb 1.07 -4.27 -0.11 0.00 -0.01 0.00 0.00 39.48 36.15 1f9a n PHE 9 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1f9a n GLN 10 N -3.85 1.95 -3.54 -1.08 6.02 -1.26 -2.33 117.38 113.29 1f9a n GLN 10 Ca -0.18 -4.51 -0.23 0.00 -0.01 0.00 0.00 57.00 52.08 1f9a n GLN 10 Cb 0.64 -2.30 0.01 0.00 1.02 0.00 0.00 30.24 29.61 1f9a n GLN 10 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1f9a s PRO 11 N -1.54 2.34 0.17 -1.09 0.04 -1.26 -4.70 135.00 128.96 1f9a s PRO 11 Ca 0.26 -1.79 -0.34 0.00 0.04 0.00 0.00 61.00 59.18 1f9a s PRO 11 Cb -0.03 -2.34 -0.14 0.00 0.04 0.00 0.00 34.50 32.04 1f9a s PRO 11 CO -0.16 -0.59 1.60 0.34 0.04 0.00 0.00 177.00 178.23 1f9a n PHE 12 N -1.86 2.35 -4.29 0.56 7.35 -0.98 -4.73 117.46 115.86 1f9a n PHE 12 Ca 0.05 0.23 -0.15 0.00 -0.76 0.00 0.00 57.45 56.82 1f9a n PHE 12 Cb 0.63 -2.56 -0.04 0.00 0.35 0.00 0.00 39.48 37.85 1f9a n PHE 12 CO 0.00 0.00 0.00 -2.39 -0.76 0.00 0.00 176.76 173.61 1f9a n HIS 13 N 3.50 0.07 0.27 -5.13 1.44 -1.26 -4.64 115.22 109.47 1f9a n HIS 13 Ca 0.17 -1.51 0.13 0.00 -2.01 0.00 0.00 57.72 54.50 1f9a n HIS 13 Cb 0.30 -0.00 0.33 0.00 0.12 0.00 0.00 29.99 30.74 1f9a n HIS 13 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 1f9a h LYS 14 N 0.00 0.00 -0.17 -1.40 1.57 -1.56 -1.61 116.57 113.40 1f9a h LYS 14 Ca -0.18 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.46 1f9a h LYS 14 Cb 0.70 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 1f9a h LYS 14 CO 0.29 0.00 -0.49 0.78 -0.57 0.00 0.00 179.45 179.46 1f9a h GLY 15 N 3.47 0.51 0.98 3.86 0.00 -1.85 -1.07 103.07 108.96 1f9a h GLY 15 Ca 0.00 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 1f9a h GLY 15 CO 0.00 0.50 0.26 0.45 0.00 0.00 0.00 176.54 177.75 1f9a h HIS 16 N 0.37 0.67 -0.73 5.60 3.86 -1.68 -0.32 115.15 122.91 1f9a h HIS 16 Ca 0.02 -0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 1f9a h HIS 16 Cb 1.00 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 29.22 1f9a h HIS 16 CO 0.03 0.50 0.25 1.25 0.86 0.00 0.00 177.93 180.83 1f9a h LEU 17 N 0.64 1.03 -0.32 2.43 6.46 -1.06 -0.32 115.31 124.16 1f9a h LEU 17 Ca 0.17 -0.18 -0.05 0.00 -0.12 0.00 0.00 57.88 57.70 1f9a h LEU 17 Cb 0.06 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.71 1f9a h LEU 17 CO -0.03 0.94 -0.01 -0.33 -0.62 0.00 0.00 178.44 178.40 1f9a h GLU 18 N 1.07 0.57 -0.09 1.25 4.39 -0.97 -1.69 114.58 119.11 1f9a h GLU 18 Ca 0.24 -0.19 -0.11 0.00 0.34 0.00 0.00 59.36 59.65 1f9a h GLU 18 Cb 0.26 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1f9a h GLU 18 CO -0.01 0.71 -0.43 -0.24 -1.16 0.00 0.00 179.01 177.88 1f9a h VAL 19 N 0.37 1.32 0.00 3.13 3.04 -0.62 -1.54 116.25 121.94 1f9a h VAL 19 Ca 0.09 -1.56 -0.08 0.00 -1.01 0.00 0.00 66.70 64.14 1f9a h VAL 19 Cb 0.46 1.73 -0.01 0.00 -2.01 0.00 0.00 31.29 31.46 1f9a h VAL 19 CO 0.02 0.46 -0.39 0.40 -1.01 0.00 0.00 177.57 177.05 1f9a h ILE 20 N 0.17 1.10 -0.26 3.17 2.04 -0.92 -1.02 117.51 121.79 1f9a h ILE 20 Ca 0.01 -1.42 -0.19 0.00 1.00 0.00 0.00 64.86 64.26 1f9a h ILE 20 Cb 0.83 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 1f9a h ILE 20 CO 0.07 0.38 -0.57 0.11 0.00 0.00 0.00 178.15 178.14 1f9a h LYS 21 N 0.00 0.82 -0.45 2.37 1.57 -0.60 -1.40 116.57 118.88 1f9a h LYS 21 Ca -0.00 -0.53 -0.03 0.00 -1.87 0.00 0.00 60.65 58.22 1f9a h LYS 21 Cb 0.78 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.13 1f9a h LYS 21 CO 0.05 1.16 0.18 -0.22 -0.57 0.00 0.00 179.45 180.06 1f9a h LYS 22 N 0.62 0.67 -0.06 3.15 1.63 -1.13 -2.83 116.57 118.62 1f9a h LYS 22 Ca 0.01 -0.12 -0.11 0.00 -0.85 0.00 0.00 60.65 59.57 1f9a h LYS 22 Cb 1.17 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.68 1f9a h LYS 22 CO 0.12 0.61 -0.48 0.82 -3.45 0.00 0.00 179.45 177.08 1f9a h ILE 23 N 0.59 1.34 0.00 2.00 2.04 -1.00 -1.57 117.51 120.91 1f9a h ILE 23 Ca 0.15 -1.68 0.00 0.00 1.00 0.00 0.00 64.86 64.33 1f9a h ILE 23 Cb 0.19 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 1f9a h ILE 23 CO -0.01 0.49 0.00 0.00 0.00 0.00 0.00 178.15 178.63 1f9a n ALA 24 N -2.46 2.03 0.36 1.87 0.00 -0.54 -0.07 120.51 121.70 1f9a n ALA 24 Ca -0.02 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.45 1f9a n ALA 24 Cb 0.52 -1.29 0.21 0.00 0.00 0.00 0.00 19.45 18.88 1f9a n ALA 24 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1f9a h GLU 25 N 0.00 0.00 -0.00 0.00 5.08 -1.11 -3.36 114.58 115.18 1f9a h GLU 25 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1f9a h GLU 25 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1f9a h GLU 25 CO 0.00 0.00 -0.51 0.39 -1.00 0.00 0.00 179.01 177.89 1f9a n GLU 26 N -2.65 2.90 -3.76 2.33 1.02 0.90 -5.02 120.64 116.36 1f9a n GLU 26 Ca 0.04 -0.11 -0.13 0.00 -0.02 0.00 0.00 57.16 56.94 1f9a n GLU 26 Cb 0.49 -1.07 -0.08 0.00 -0.02 0.00 0.00 31.44 30.76 1f9a n GLU 26 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1f9a s VAL 27 N -2.03 0.07 0.16 2.62 0.11 -1.14 -5.06 120.40 115.13 1f9a s VAL 27 Ca 0.05 -0.57 -0.01 0.00 -2.93 0.00 0.00 61.98 58.53 1f9a s VAL 27 Cb 0.09 -0.75 -0.14 0.00 -1.53 0.00 0.00 36.38 34.06 1f9a s VAL 27 CO 0.46 -0.31 1.38 0.44 -3.33 0.00 0.00 175.10 173.74 1f9a h ASP 28 N 3.61 0.42 -4.81 3.54 3.32 -1.37 -3.43 116.42 117.70 1f9a h ASP 28 Ca -0.30 -0.31 -0.15 0.00 0.02 0.00 0.00 57.03 56.28 1f9a h ASP 28 Cb 1.19 -0.13 -0.21 0.00 0.22 0.00 0.00 39.33 40.39 1f9a h ASP 28 CO 0.43 1.09 -0.53 -1.61 -1.72 0.00 0.00 179.24 176.89 1f9a s GLU 29 N -3.39 0.41 -0.16 3.56 2.02 -1.04 -4.49 118.70 115.61 1f9a s GLU 29 Ca -0.05 -0.35 0.02 0.00 0.02 0.00 0.00 54.97 54.61 1f9a s GLU 29 Cb 0.10 0.17 0.01 0.00 0.10 0.00 0.00 34.13 34.51 1f9a s GLU 29 CO 0.84 -0.09 -0.20 0.42 0.02 0.00 0.00 175.26 176.25 1f9a s ILE 30 N -1.20 2.18 -0.06 -1.63 1.01 -0.34 -0.53 121.20 120.63 1f9a s ILE 30 Ca -0.13 -0.93 -0.25 0.00 0.00 0.00 0.00 60.65 59.35 1f9a s ILE 30 Cb -0.07 -1.89 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 1f9a s ILE 30 CO 0.01 0.54 0.77 -0.63 0.00 0.00 0.00 174.94 175.63 1f9a s ILE 31 N 0.98 5.00 -0.60 2.92 1.01 0.10 -1.78 121.20 128.83 1f9a s ILE 31 Ca -0.03 1.59 -0.06 0.00 0.00 0.00 0.00 60.65 62.15 1f9a s ILE 31 Cb -0.15 -4.11 0.16 0.00 0.01 0.00 0.00 42.46 38.37 1f9a s ILE 31 CO -0.05 0.22 0.44 -0.63 0.00 0.00 0.00 174.94 174.93 1f9a s ILE 32 N 0.90 4.05 0.03 2.92 1.01 0.24 -1.62 121.20 128.73 1f9a s ILE 32 Ca 0.41 -2.54 -0.30 0.00 0.00 0.00 0.00 60.65 58.21 1f9a s ILE 32 Cb -0.18 -3.63 -0.07 0.00 0.01 0.00 0.00 42.46 38.58 1f9a s ILE 32 CO 0.20 -0.86 1.67 -0.83 0.00 0.00 0.00 174.94 175.12 1f9a s GLY 33 N 1.45 1.56 -0.64 6.18 0.00 -0.25 -0.43 107.32 115.18 1f9a s GLY 33 Ca 0.14 1.12 -0.16 0.00 0.00 0.00 0.00 44.72 45.83 1f9a s GLY 33 CO -0.04 2.97 0.60 -0.42 0.00 0.00 0.00 173.10 176.21 1f9a s ILE 34 N 3.21 5.32 0.97 0.90 1.01 0.15 -2.26 121.20 130.50 1f9a s ILE 34 Ca 0.75 -1.79 -0.15 0.00 0.00 0.00 0.00 60.65 59.46 1f9a s ILE 34 Cb -0.38 -4.39 0.18 0.00 0.01 0.00 0.00 42.46 37.88 1f9a s ILE 34 CO 0.32 -0.94 1.21 -0.83 0.00 0.00 0.00 174.94 174.70 1f9a s GLY 35 N 3.15 1.65 -1.36 6.18 0.00 0.28 -1.06 107.32 116.16 1f9a s GLY 35 Ca 0.08 -0.87 -0.14 0.00 0.00 0.00 0.00 44.72 43.79 1f9a s GLY 35 CO -0.01 -0.18 0.41 1.44 0.00 0.00 0.00 173.10 174.76 1f9a n SER 36 N -3.90 -1.79 0.13 1.64 7.64 -0.96 -4.62 113.62 111.76 1f9a n SER 36 Ca 0.11 -1.20 -0.01 0.00 1.01 0.00 0.00 58.87 58.79 1f9a n SER 36 Cb 0.60 -2.16 0.11 0.00 -1.01 0.00 0.00 64.21 61.75 1f9a n SER 36 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1f9a h ALA 37 N 1.08 0.77 0.00 -0.43 0.00 -1.59 -1.04 119.26 118.06 1f9a h ALA 37 Ca -0.67 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 53.64 1f9a h ALA 37 Cb 1.39 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1f9a h ALA 37 CO 0.60 0.81 -0.21 0.00 0.00 0.00 0.00 179.25 180.45 1f9a n GLN 38 N -3.55 0.26 -2.61 0.00 0.00 -1.26 -3.65 117.38 106.56 1f9a n GLN 38 Ca -0.00 0.16 -0.43 0.00 0.00 0.00 0.00 57.00 56.73 1f9a n GLN 38 Cb 0.69 -1.75 -0.02 0.00 0.00 0.00 0.00 30.24 29.16 1f9a n GLN 38 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1f9a s LYS 39 N -3.12 4.29 0.24 2.61 1.02 -0.40 -5.02 119.74 119.36 1f9a s LYS 39 Ca 0.09 1.44 -0.17 0.00 0.02 0.00 0.00 55.97 57.36 1f9a s LYS 39 Cb 0.13 -3.64 0.02 0.00 -0.52 0.00 0.00 37.83 33.82 1f9a s LYS 39 CO 0.64 -0.57 0.57 -1.54 -0.92 0.00 0.00 175.35 173.53 1f9a s SER 40 N 1.34 -0.21 -1.37 2.83 1.04 -1.25 -4.64 113.70 111.44 1f9a s SER 40 Ca 0.48 -0.65 -0.03 0.00 0.48 0.00 0.00 55.95 56.23 1f9a s SER 40 Cb -0.18 0.63 0.02 0.00 0.10 0.00 0.00 66.02 66.59 1f9a s SER 40 CO 0.11 -1.17 0.67 1.41 0.98 0.00 0.00 173.24 175.24 1f9a n HIS 41 N -0.39 -1.90 -4.46 5.02 8.25 -0.08 -4.88 115.22 116.78 1f9a n HIS 41 Ca -0.06 0.83 -0.23 0.00 -0.26 0.00 0.00 57.72 58.00 1f9a n HIS 41 Cb 0.61 -4.14 -0.10 0.00 1.12 0.00 0.00 29.99 27.48 1f9a n HIS 41 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1f9a s THR 42 N -3.68 0.96 0.23 1.59 2.01 -0.42 -4.96 115.64 111.37 1f9a s THR 42 Ca 0.12 -2.00 0.16 0.00 0.31 0.00 0.00 61.69 60.28 1f9a s THR 42 Cb -0.06 -2.63 0.09 0.00 0.01 0.00 0.00 72.50 69.90 1f9a s THR 42 CO 0.84 0.00 1.72 -0.07 -0.69 0.00 0.00 174.62 176.42 1f9a h LEU 43 N 2.02 0.00 0.00 4.42 3.38 -1.94 -2.92 115.31 120.27 1f9a h LEU 43 Ca -0.39 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.32 1f9a h LEU 43 Cb 1.25 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.96 1f9a h LEU 43 CO 0.65 0.44 -1.46 -0.33 0.09 0.00 0.00 178.44 177.83 1f9a h GLU 44 N 0.00 0.00 -2.83 1.13 4.39 -1.99 -3.42 114.58 111.85 1f9a h GLU 44 Ca -0.00 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 59.09 1f9a h GLU 44 Cb 0.91 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 29.16 1f9a h GLU 44 CO 0.06 0.62 -0.75 -0.80 -1.16 0.00 0.00 179.01 176.97 1f9a s ASN 45 N -6.25 3.38 0.18 1.42 0.01 -1.16 -4.89 114.94 107.63 1f9a s ASN 45 Ca -0.03 -3.19 0.14 0.00 -0.71 0.00 0.00 52.86 49.08 1f9a s ASN 45 Cb 0.09 -1.06 -0.05 0.00 0.41 0.00 0.00 41.25 40.64 1f9a s ASN 45 CO 0.82 -0.17 1.20 1.55 -1.51 0.00 0.00 177.10 178.99 1f9a h PRO 46 N 5.94 0.00 -6.37 -0.60 0.13 -1.78 -0.91 132.00 128.40 1f9a h PRO 46 Ca 0.13 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.59 1f9a h PRO 46 Cb 0.86 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.83 1f9a h PRO 46 CO 0.53 0.50 -0.71 -0.06 -0.23 0.00 0.00 178.00 178.03 1f9a s PHE 47 N -2.90 2.85 1.08 1.56 0.40 -1.26 -0.90 117.98 118.81 1f9a s PHE 47 Ca 0.01 -0.07 -0.17 0.00 -0.60 0.00 0.00 56.93 56.10 1f9a s PHE 47 Cb 0.08 -1.55 0.24 0.00 0.51 0.00 0.00 43.02 42.30 1f9a s PHE 47 CO 0.78 0.40 1.16 0.99 0.70 0.00 0.00 175.22 179.25 1f9a s THR 48 N -1.10 1.79 0.15 0.64 2.01 -1.26 -4.54 115.64 113.34 1f9a s THR 48 Ca 0.19 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 62.11 1f9a s THR 48 Cb -0.11 -2.65 -0.06 0.00 0.01 0.00 0.00 72.50 69.69 1f9a s THR 48 CO 0.11 0.00 1.46 0.00 -0.69 0.00 0.00 174.62 175.50 1f9a h ALA 49 N -2.14 0.58 -0.04 7.40 0.00 -1.87 -1.30 119.26 121.89 1f9a h ALA 49 Ca -0.47 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 53.90 1f9a h ALA 49 Cb 1.29 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1f9a h ALA 49 CO 0.42 0.68 -0.18 0.78 0.00 0.00 0.00 179.25 180.94 1f9a h GLY 50 N 0.83 0.21 -0.36 0.00 0.00 -1.92 -0.75 103.07 101.07 1f9a h GLY 50 Ca 0.03 -0.30 0.17 0.00 0.00 0.00 0.00 47.33 47.24 1f9a h GLY 50 CO 0.11 0.26 0.01 0.83 0.00 0.00 0.00 176.54 177.75 1f9a h GLU 51 N -0.38 0.10 0.14 4.80 5.08 -1.88 -0.18 114.58 122.26 1f9a h GLU 51 Ca -0.01 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1f9a h GLU 51 Cb 0.84 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1f9a h GLU 51 CO 0.04 0.07 -0.07 0.00 -1.00 0.00 0.00 179.01 178.05 1f9a h ARG 52 N 0.10 -0.18 -0.62 2.33 3.08 -1.12 -0.77 114.38 117.20 1f9a h ARG 52 Ca 0.42 0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.60 1f9a h ARG 52 Cb 0.74 0.04 -0.09 0.00 0.08 0.00 0.00 29.97 30.73 1f9a h ARG 52 CO -0.67 -0.03 0.11 0.82 -1.07 0.00 0.00 179.97 179.13 1f9a h ILE 53 N -0.30 0.60 -0.52 2.04 2.04 -0.93 -0.94 117.51 119.49 1f9a h ILE 53 Ca -0.02 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 1f9a h ILE 53 Cb 0.24 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 1f9a h ILE 53 CO 0.03 0.04 0.21 0.25 0.00 0.00 0.00 178.15 178.68 1f9a h LEU 54 N 0.23 0.72 -0.26 1.44 5.85 -0.87 -1.18 115.31 121.24 1f9a h LEU 54 Ca 0.33 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.94 1f9a h LEU 54 Cb 0.51 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.29 1f9a h LEU 54 CO -0.44 0.69 -0.15 0.24 -0.34 0.00 0.00 178.44 178.44 1f9a h MET 55 N 0.70 -0.12 0.29 1.25 2.86 -0.90 -1.48 114.93 117.53 1f9a h MET 55 Ca 0.17 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.81 1f9a h MET 55 Cb 0.20 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1f9a h MET 55 CO -0.01 -0.08 -0.14 0.82 1.06 0.00 0.00 176.91 178.55 1f9a h ILE 56 N -0.13 0.74 -0.18 -1.22 2.04 -1.01 -1.21 117.51 116.54 1f9a h ILE 56 Ca 0.14 -0.49 0.05 0.00 1.00 0.00 0.00 64.86 65.56 1f9a h ILE 56 Cb 0.34 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 1f9a h ILE 56 CO -0.34 0.10 -0.13 0.74 0.00 0.00 0.00 178.15 178.53 1f9a h THR 57 N -0.66 0.63 -0.05 -0.27 2.02 -1.25 -2.15 112.91 111.18 1f9a h THR 57 Ca -0.04 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.15 1f9a h THR 57 Cb 0.46 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1f9a h THR 57 CO 0.07 0.00 0.04 1.56 0.37 0.00 0.00 175.52 177.55 1f9a h GLN 58 N -0.13 0.00 -0.23 6.66 1.08 -1.23 -1.67 115.11 119.59 1f9a h GLN 58 Ca 0.11 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.16 1f9a h GLN 58 Cb 0.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 1f9a h GLN 58 CO -0.26 0.00 -0.44 0.77 -0.95 0.00 0.00 178.83 177.95 1f9a h SER 59 N 0.00 0.79 0.14 1.46 0.02 -0.78 -3.36 113.55 111.82 1f9a h SER 59 Ca 0.02 -0.54 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 1f9a h SER 59 Cb 0.10 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.41 1f9a h SER 59 CO -0.00 1.18 -0.91 0.18 -1.14 0.00 0.00 176.83 176.15 1f9a n LEU 60 N -4.17 0.83 0.18 5.07 4.77 -0.85 -4.68 117.00 118.15 1f9a n LEU 60 Ca -0.05 -0.34 0.03 0.00 -0.03 0.00 0.00 56.01 55.61 1f9a n LEU 60 Cb 0.56 -0.07 0.38 0.00 -2.33 0.00 0.00 43.42 41.97 1f9a n LEU 60 CO 0.47 0.20 0.78 0.07 -1.33 0.00 0.00 177.39 177.58 1f9a h LYS 61 N 0.00 0.06 -0.04 3.23 2.10 -1.47 -1.55 116.57 118.89 1f9a h LYS 61 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1f9a h LYS 61 Cb 0.52 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 1f9a h LYS 61 CO 0.00 0.35 0.00 -0.25 -2.00 0.00 0.00 179.45 177.55 1f9a n ASP 62 N -4.16 1.67 -4.88 7.07 8.00 -1.26 -4.89 116.55 118.09 1f9a n ASP 62 Ca -0.02 -1.58 -0.29 0.00 0.71 0.00 0.00 54.79 53.61 1f9a n ASP 62 Cb 0.36 -0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.42 1f9a n ASP 62 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1f9a s TYR 63 N -1.96 3.51 -1.31 1.24 1.51 -0.59 -4.98 117.35 114.78 1f9a s TYR 63 Ca 0.36 0.99 -0.11 0.00 -1.01 0.00 0.00 57.07 57.30 1f9a s TYR 63 Cb 0.20 -2.42 0.14 0.00 -0.11 0.00 0.00 41.96 39.78 1f9a s TYR 63 CO 0.32 -0.20 1.89 -3.47 -1.11 0.00 0.00 175.55 172.99 1f9a n ASP 64 N -1.70 4.86 -3.79 2.29 -0.08 -1.26 -4.91 116.55 111.96 1f9a n ASP 64 Ca 0.02 -3.04 -0.14 0.00 -1.51 0.00 0.00 54.79 50.12 1f9a n ASP 64 Cb 0.54 -1.53 -0.15 0.00 2.34 0.00 0.00 41.12 42.32 1f9a n ASP 64 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1f9a s LEU 65 N 0.63 1.17 -0.40 -2.67 1.98 -1.26 -5.11 118.68 113.02 1f9a s LEU 65 Ca 0.42 0.14 -0.19 0.00 -2.89 0.00 0.00 54.13 51.61 1f9a s LEU 65 Cb 0.09 0.14 0.01 0.00 0.66 0.00 0.00 46.19 47.09 1f9a s LEU 65 CO -0.01 -0.10 0.54 -0.89 -1.89 0.00 0.00 176.35 173.99 1f9a s THR 66 N 0.80 4.97 0.16 3.68 2.01 -1.26 -5.04 115.64 120.96 1f9a s THR 66 Ca -0.06 0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.01 1f9a s THR 66 Cb -0.09 -4.07 -0.05 0.00 0.01 0.00 0.00 72.50 68.30 1f9a s THR 66 CO -0.03 -0.41 -0.03 -0.72 -0.69 0.00 0.00 174.62 172.73 1f9a s TYR 67 N 2.47 1.19 -0.27 4.92 -0.85 -1.26 -1.20 117.35 122.35 1f9a s TYR 67 Ca 0.18 -0.94 -0.03 0.00 -0.52 0.00 0.00 57.07 55.77 1f9a s TYR 67 Cb -0.15 -0.67 0.09 0.00 0.38 0.00 0.00 41.96 41.61 1f9a s TYR 67 CO 0.15 -0.12 0.10 0.71 -1.52 0.00 0.00 175.55 174.87 1f9a s TYR 68 N -3.56 0.97 -0.65 -3.49 1.51 -0.74 -4.95 117.35 106.44 1f9a s TYR 68 Ca 0.20 -1.16 -0.24 0.00 -1.01 0.00 0.00 57.07 54.87 1f9a s TYR 68 Cb 0.05 -1.21 0.06 0.00 -0.11 0.00 0.00 41.96 40.75 1f9a s TYR 68 CO 0.02 -0.78 1.01 -1.25 -1.11 0.00 0.00 175.55 173.44 1f9a s PRO 69 N 1.88 3.17 -0.20 -1.71 0.04 -1.26 0.80 135.00 137.72 1f9a s PRO 69 Ca 0.07 -0.62 0.01 0.00 0.04 0.00 0.00 61.00 60.50 1f9a s PRO 69 Cb -0.17 -4.19 0.03 0.00 0.04 0.00 0.00 34.50 30.21 1f9a s PRO 69 CO -0.25 -1.81 -0.17 0.42 0.04 0.00 0.00 177.00 175.23 1f9a s ILE 70 N 4.33 2.19 0.02 0.56 1.01 0.43 -4.97 121.20 124.77 1f9a s ILE 70 Ca 0.26 -1.03 -0.30 0.00 0.00 0.00 0.00 60.65 59.58 1f9a s ILE 70 Cb -0.15 -1.99 -0.07 0.00 0.01 0.00 0.00 42.46 40.26 1f9a s ILE 70 CO 0.13 0.43 1.59 -2.16 0.00 0.00 0.00 174.94 174.93 1f9a s PRO 71 N 1.27 4.21 -0.23 2.79 0.04 -1.26 0.35 135.00 142.17 1f9a s PRO 71 Ca 0.03 2.21 0.02 0.00 0.04 0.00 0.00 61.00 63.29 1f9a s PRO 71 Cb -0.14 -3.70 0.04 0.00 0.04 0.00 0.00 34.50 30.74 1f9a s PRO 71 CO -0.11 -0.73 -0.14 0.42 0.04 0.00 0.00 177.00 176.49 1f9a s ILE 72 N 2.96 2.17 0.57 0.56 1.01 -0.22 -4.83 121.20 123.42 1f9a s ILE 72 Ca 0.71 -1.36 -0.20 0.00 0.00 0.00 0.00 60.65 59.80 1f9a s ILE 72 Cb -0.36 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 1f9a s ILE 72 CO 0.30 0.18 1.26 -0.54 0.00 0.00 0.00 174.94 176.14 1f9a s LYS 73 N 1.18 3.08 0.02 2.79 1.02 -1.26 -2.26 119.74 124.31 1f9a s LYS 73 Ca -0.04 1.97 -0.30 0.00 0.02 0.00 0.00 55.97 57.62 1f9a s LYS 73 Cb -0.17 -2.08 -0.07 0.00 -0.52 0.00 0.00 37.83 34.99 1f9a s LYS 73 CO -0.08 -1.16 1.55 -0.51 -0.92 0.00 0.00 175.35 174.23 1f9a s ASP 74 N -1.35 6.72 0.28 2.83 1.01 -1.26 -4.67 116.67 120.22 1f9a s ASP 74 Ca 0.74 2.29 0.12 0.00 0.71 0.00 0.00 52.55 56.41 1f9a s ASP 74 Cb -0.34 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 40.98 1f9a s ASP 74 CO 0.38 -0.82 -0.19 0.27 0.21 0.00 0.00 175.17 175.02 1f9a s ILE 75 N 2.72 2.43 -0.80 0.77 -4.36 -1.26 -5.02 121.20 115.67 1f9a s ILE 75 Ca 0.69 -2.39 0.02 0.00 -0.26 0.00 0.00 60.65 58.72 1f9a s ILE 75 Cb -0.35 -2.31 0.26 0.00 1.25 0.00 0.00 42.46 41.31 1f9a s ILE 75 CO 0.29 -0.40 0.95 -0.62 0.24 0.00 0.00 174.94 175.41 1f9a n GLU 76 N -0.62 3.07 -2.80 0.37 -0.58 -1.26 -4.85 120.64 113.98 1f9a n GLU 76 Ca -0.05 -4.61 -0.03 0.00 -0.42 0.00 0.00 57.16 52.04 1f9a n GLU 76 Cb 0.60 -2.35 0.01 0.00 -0.57 0.00 0.00 31.44 29.13 1f9a n GLU 76 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1f9a s PHE 77 N -2.40 -1.37 0.39 -0.32 5.99 -1.26 -5.04 117.98 113.98 1f9a s PHE 77 Ca 0.35 -0.38 0.18 0.00 0.00 0.00 0.00 56.93 57.09 1f9a s PHE 77 Cb 0.09 0.27 1.03 0.00 0.00 0.00 0.00 43.02 44.40 1f9a s PHE 77 CO 0.00 -1.06 1.95 -0.91 -0.00 0.00 0.00 175.22 175.20 1f9a h ASN 78 N 5.11 0.00 1.27 6.13 2.35 -2.00 -2.59 115.58 125.84 1f9a h ASN 78 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1f9a h ASN 78 Cb 1.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.50 1f9a h ASN 78 CO -0.00 0.24 0.00 -1.28 -1.65 0.00 0.00 177.43 174.73 1f9a h SER 79 N 0.00 0.00 -0.08 5.81 0.87 -2.01 -2.29 113.55 115.86 1f9a h SER 79 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1f9a h SER 79 Cb 0.47 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 1f9a h SER 79 CO 0.03 0.00 0.00 2.30 -0.53 0.00 0.00 176.83 178.63 1f9a n ILE 80 N -2.84 0.15 -0.16 2.23 -5.35 -0.99 -4.72 119.36 107.68 1f9a n ILE 80 Ca 0.02 -0.57 -0.11 0.00 -0.27 0.00 0.00 62.75 61.82 1f9a n ILE 80 Cb 0.36 1.16 -0.01 0.00 -1.74 0.00 0.00 39.64 39.42 1f9a n ILE 80 CO 0.00 0.00 0.00 -0.25 -1.76 0.00 0.00 176.55 174.54 1f9a h TRP 81 N 2.58 0.97 -0.87 4.28 7.01 -1.29 -1.55 115.95 127.08 1f9a h TRP 81 Ca 0.00 -0.21 0.01 0.00 2.11 0.00 0.00 58.89 60.80 1f9a h TRP 81 Cb 0.59 -0.24 -0.04 0.00 -2.10 0.00 0.00 29.16 27.36 1f9a h TRP 81 CO 0.04 0.96 0.58 0.28 -2.79 0.00 0.00 178.44 177.51 1f9a h VAL 82 N 0.71 1.23 -0.48 2.65 2.07 -1.85 -0.13 116.25 120.44 1f9a h VAL 82 Ca 0.12 -0.41 -0.13 0.00 0.82 0.00 0.00 66.70 67.10 1f9a h VAL 82 Cb 0.64 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1f9a h VAL 82 CO 0.04 0.22 -0.21 -1.28 0.02 0.00 0.00 177.57 176.36 1f9a h SER 83 N 1.19 1.01 0.12 0.57 0.87 -1.84 0.79 113.55 116.26 1f9a h SER 83 Ca 0.32 -0.38 0.01 0.00 -1.23 0.00 0.00 61.79 60.51 1f9a h SER 83 Cb -0.14 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.53 1f9a h SER 83 CO -0.07 1.18 -0.14 0.22 -0.53 0.00 0.00 176.83 177.49 1f9a h TYR 84 N 0.85 -0.36 -0.13 2.24 3.20 -1.00 -0.24 116.97 121.53 1f9a h TYR 84 Ca 0.11 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.02 1f9a h TYR 84 Cb 0.79 0.15 -0.04 0.00 1.54 0.00 0.00 36.73 39.17 1f9a h TYR 84 CO 0.05 -0.21 -0.11 0.28 -1.64 0.00 0.00 178.16 176.53 1f9a h VAL 85 N -0.30 0.69 -0.82 1.81 2.07 -0.78 -2.53 116.25 116.38 1f9a h VAL 85 Ca 0.01 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.77 1f9a h VAL 85 Cb 0.30 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1f9a h VAL 85 CO -0.05 0.00 0.62 -0.33 0.02 0.00 0.00 177.57 177.83 1f9a h GLU 86 N -0.13 0.00 -0.39 1.57 5.08 -0.56 -2.49 114.58 117.67 1f9a h GLU 86 Ca 0.09 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 1f9a h GLU 86 Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1f9a h GLU 86 CO -0.21 0.00 -0.02 0.77 -1.00 0.00 0.00 179.01 178.55 1f9a h SER 87 N 0.00 0.70 0.45 1.42 0.02 -0.60 -3.01 113.55 112.53 1f9a h SER 87 Ca 0.39 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1f9a h SER 87 Cb 1.63 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.98 1f9a h SER 87 CO -0.00 0.85 -0.29 0.18 -1.14 0.00 0.00 176.83 176.42 1f9a n LEU 88 N -4.43 0.59 -4.29 5.07 4.77 -0.96 -4.98 117.00 112.77 1f9a n LEU 88 Ca -0.01 -0.02 -0.22 0.00 -0.03 0.00 0.00 56.01 55.73 1f9a n LEU 88 Cb 0.30 -0.23 -0.12 0.00 -2.33 0.00 0.00 43.42 41.05 1f9a n LEU 88 CO 0.41 0.12 -0.49 0.42 -1.33 0.00 0.00 177.39 176.52 1f9a s THR 89 N -2.75 1.66 0.32 -5.08 -4.23 -1.07 -5.02 115.64 99.47 1f9a s THR 89 Ca 0.19 -1.70 -0.27 0.00 -1.18 0.00 0.00 61.69 58.73 1f9a s THR 89 Cb 0.19 -1.63 -0.13 0.00 1.34 0.00 0.00 72.50 72.26 1f9a s THR 89 CO 0.58 -0.22 0.96 -2.65 -0.54 0.00 0.00 174.62 172.75 1f9a n PRO 90 N 0.72 1.26 -1.40 3.99 -0.02 -1.26 -4.89 135.00 133.40 1f9a n PRO 90 Ca -0.17 0.45 -0.44 0.00 -2.02 0.00 0.00 63.50 61.32 1f9a n PRO 90 Cb 0.55 -1.83 -0.01 0.00 -0.02 0.00 0.00 33.50 32.19 1f9a n PRO 90 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1f9a n PRO 91 N 0.63 0.26 -4.07 0.52 -0.02 -1.26 -4.99 135.00 126.07 1f9a n PRO 91 Ca 0.10 0.09 -0.11 0.00 -2.02 0.00 0.00 63.50 61.56 1f9a n PRO 91 Cb 0.33 -1.19 -0.06 0.00 -0.02 0.00 0.00 33.50 32.56 1f9a n PRO 91 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1f9a s PHE 92 N -1.31 0.73 0.00 6.00 -0.12 -1.26 -4.64 117.98 117.36 1f9a s PHE 92 Ca 0.62 -1.02 0.00 0.00 -0.05 0.00 0.00 56.93 56.48 1f9a s PHE 92 Cb -0.75 -0.05 0.00 0.00 -0.63 0.00 0.00 43.02 41.59 1f9a s PHE 92 CO 0.59 -0.95 0.00 -0.25 -0.05 0.00 0.00 175.22 174.56 1f9a n ASP 93 N -0.62 1.71 -4.14 1.98 8.00 -0.68 -4.95 116.55 117.85 1f9a n ASP 93 Ca -0.00 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.30 1f9a n ASP 93 Cb 0.63 0.03 -0.13 0.00 -0.02 0.00 0.00 41.12 41.62 1f9a n ASP 93 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1f9a s ILE 94 N -1.41 1.09 -0.06 0.53 1.01 -1.14 -3.93 121.20 117.29 1f9a s ILE 94 Ca 0.00 -0.95 0.06 0.00 0.00 0.00 0.00 60.65 59.76 1f9a s ILE 94 Cb 0.00 -0.98 -0.01 0.00 0.01 0.00 0.00 42.46 41.48 1f9a s ILE 94 CO 0.00 0.03 -0.24 -0.69 0.00 0.00 0.00 174.94 174.05 1f9a s VAL 95 N -0.79 1.96 -0.39 2.92 1.01 -0.57 -0.74 120.40 123.81 1f9a s VAL 95 Ca 0.02 -1.01 -0.09 0.00 0.00 0.00 0.00 61.98 60.90 1f9a s VAL 95 Cb -0.08 -1.67 0.05 0.00 0.00 0.00 0.00 36.38 34.69 1f9a s VAL 95 CO 0.01 0.55 0.21 -0.31 0.00 0.00 0.00 175.10 175.56 1f9a s TYR 96 N -0.07 3.29 -0.15 5.22 1.51 -0.23 -0.92 117.35 126.00 1f9a s TYR 96 Ca -0.06 -1.31 -0.17 0.00 -1.01 0.00 0.00 57.07 54.52 1f9a s TYR 96 Cb -0.14 -2.63 0.04 0.00 -0.11 0.00 0.00 41.96 39.12 1f9a s TYR 96 CO 0.04 -0.75 0.47 0.45 -1.11 0.00 0.00 175.55 174.64 1f9a s SER 97 N 1.77 -0.46 0.00 2.29 0.15 0.03 -4.54 113.70 112.94 1f9a s SER 97 Ca 0.02 0.82 0.20 0.00 0.70 0.00 0.00 55.95 57.68 1f9a s SER 97 Cb -0.21 0.85 0.09 0.00 -1.71 0.00 0.00 66.02 65.04 1f9a s SER 97 CO 0.04 -0.24 1.07 0.61 1.20 0.00 0.00 173.24 175.92 1f9a n GLY 98 N 2.47 0.36 3.67 9.45 0.00 -1.26 -4.10 105.19 115.78 1f9a n GLY 98 Ca -0.15 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 1f9a n GLY 98 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1f9a s ASN 99 N -1.89 7.07 0.17 1.61 2.47 -1.26 -4.98 114.94 118.13 1f9a s ASN 99 Ca 0.20 1.33 -0.20 0.00 0.42 0.00 0.00 52.86 54.61 1f9a s ASN 99 Cb 0.16 -2.50 0.09 0.00 -1.45 0.00 0.00 41.25 37.55 1f9a s ASN 99 CO 0.35 -0.46 1.63 -0.65 -3.72 0.00 0.00 177.10 174.25 1f9a h PRO 100 N 7.28 -0.14 0.08 0.43 0.11 -1.99 -1.47 132.00 136.30 1f9a h PRO 100 Ca -0.28 0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.86 1f9a h PRO 100 Cb 1.12 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1f9a h PRO 100 CO 0.87 -0.09 -0.20 1.25 -0.21 0.00 0.00 178.00 179.62 1f9a h LEU 101 N -0.15 -0.56 -1.62 2.35 5.85 -1.98 0.15 115.31 119.35 1f9a h LEU 101 Ca 0.19 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 1f9a h LEU 101 Cb 0.44 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1f9a h LEU 101 CO -0.47 -0.28 0.20 0.58 -0.34 0.00 0.00 178.44 178.14 1f9a h VAL 102 N -0.36 1.10 -0.09 1.05 2.07 -1.92 -0.52 116.25 117.57 1f9a h VAL 102 Ca 0.03 -0.22 -0.09 0.00 0.82 0.00 0.00 66.70 67.24 1f9a h VAL 102 Cb 0.40 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1f9a h VAL 102 CO -0.13 0.10 -0.29 -0.09 0.02 0.00 0.00 177.57 177.19 1f9a h ARG 103 N 0.46 0.35 -0.86 1.57 2.43 -1.13 -1.73 114.38 115.47 1f9a h ARG 103 Ca 0.12 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 1f9a h ARG 103 Cb -0.02 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 1f9a h ARG 103 CO -0.02 0.88 0.49 0.28 -1.51 0.00 0.00 179.97 180.09 1f9a h VAL 104 N -0.11 1.24 -0.30 0.20 2.07 -0.44 -1.50 116.25 117.41 1f9a h VAL 104 Ca -0.01 -0.57 -0.15 0.00 0.82 0.00 0.00 66.70 66.79 1f9a h VAL 104 Cb 0.91 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1f9a h VAL 104 CO 0.06 0.27 -0.41 -0.07 0.02 0.00 0.00 177.57 177.44 1f9a h LEU 105 N 1.19 0.79 -0.01 2.57 3.38 -0.72 -1.78 115.31 120.73 1f9a h LEU 105 Ca 0.31 -0.36 -0.25 0.00 0.09 0.00 0.00 57.88 57.66 1f9a h LEU 105 Cb -0.01 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.52 1f9a h LEU 105 CO -0.05 1.10 -1.11 -0.26 0.09 0.00 0.00 178.44 178.20 1f9a h PHE 106 N 0.60 0.55 -0.21 1.13 -1.00 -1.30 -3.11 116.94 113.60 1f9a h PHE 106 Ca 0.05 -0.35 -0.13 0.00 2.81 0.00 0.00 57.97 60.34 1f9a h PHE 106 Cb 0.96 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 40.47 1f9a h PHE 106 CO 0.05 1.22 -0.42 0.93 -1.61 0.00 0.00 178.31 178.48 1f9a h GLU 107 N 0.14 0.51 0.00 1.51 5.08 -1.18 -0.34 114.58 120.30 1f9a h GLU 107 Ca -0.11 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1f9a h GLU 107 Cb 1.80 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 31.06 1f9a h GLU 107 CO 0.19 0.84 -0.01 0.93 -1.00 0.00 0.00 179.01 179.96 1f9a h GLU 108 N 0.42 0.00 -0.36 2.33 5.08 -1.38 -0.28 114.58 120.38 1f9a h GLU 108 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1f9a h GLU 108 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1f9a h GLU 108 CO 0.08 0.01 0.00 0.54 -1.00 0.00 0.00 179.01 178.63 1f9a n ARG 109 N -3.10 1.99 -0.45 2.33 5.12 -0.23 -4.92 116.66 117.39 1f9a n ARG 109 Ca 0.00 -1.52 0.00 0.00 -1.93 0.00 0.00 57.85 54.40 1f9a n ARG 109 Cb 0.27 -1.37 0.00 0.00 -1.16 0.00 0.00 32.46 30.20 1f9a n ARG 109 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1f9a n GLY 110 N 1.21 0.74 3.85 -0.13 0.00 -0.11 -5.05 105.19 105.70 1f9a n GLY 110 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1f9a n GLY 110 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1f9a s TYR 111 N -2.65 3.49 0.26 1.61 1.51 -0.63 -4.99 117.35 115.95 1f9a s TYR 111 Ca 0.00 1.36 -0.30 0.00 -1.01 0.00 0.00 57.07 57.12 1f9a s TYR 111 Cb 0.00 -2.71 -0.09 0.00 -0.11 0.00 0.00 41.96 39.04 1f9a s TYR 111 CO 0.00 -0.39 1.04 -2.00 -1.11 0.00 0.00 175.55 173.10 1f9a s GLU 112 N -4.26 4.71 -0.06 -0.62 2.12 -1.25 -4.21 118.70 115.13 1f9a s GLU 112 Ca 0.57 1.70 0.03 0.00 0.36 0.00 0.00 54.97 57.62 1f9a s GLU 112 Cb -0.10 -3.22 0.01 0.00 0.26 0.00 0.00 34.13 31.07 1f9a s GLU 112 CO 0.36 0.31 -0.14 0.08 -0.54 0.00 0.00 175.26 175.33 1f9a s VAL 113 N -1.15 1.28 0.05 3.70 1.01 -1.26 -1.51 120.40 122.52 1f9a s VAL 113 Ca 0.43 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.91 1f9a s VAL 113 Cb -0.30 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 1f9a s VAL 113 CO 0.38 0.38 -0.21 -0.54 0.00 0.00 0.00 175.10 175.11 1f9a s LYS 114 N 0.50 1.38 -0.05 2.72 1.02 -0.10 -4.98 119.74 120.24 1f9a s LYS 114 Ca -0.13 -0.96 -0.27 0.00 0.02 0.00 0.00 55.97 54.63 1f9a s LYS 114 Cb -0.15 -1.50 -0.03 0.00 -0.52 0.00 0.00 37.83 35.63 1f9a s LYS 114 CO 0.04 0.38 0.88 1.03 -0.92 0.00 0.00 175.35 176.76 1f9a s ARG 115 N -1.22 4.47 0.66 1.68 0.52 -1.26 -0.79 118.95 123.01 1f9a s ARG 115 Ca 0.07 1.20 -0.11 0.00 -0.52 0.00 0.00 55.73 56.38 1f9a s ARG 115 Cb -0.09 -3.48 -0.02 0.00 0.52 0.00 0.00 34.95 31.88 1f9a s ARG 115 CO 0.02 -0.08 1.05 -1.25 0.02 0.00 0.00 175.30 175.05 1f9a s PRO 116 N 1.21 3.28 0.29 3.54 0.04 -1.26 -4.94 135.00 137.16 1f9a s PRO 116 Ca 0.45 0.80 -0.29 0.00 0.04 0.00 0.00 61.00 62.00 1f9a s PRO 116 Cb -0.19 -2.04 -0.10 0.00 0.04 0.00 0.00 34.50 32.21 1f9a s PRO 116 CO 0.22 -0.81 1.13 -1.21 0.04 0.00 0.00 177.00 176.37 1f9a s GLU 117 N -5.14 4.58 0.07 4.56 2.02 -1.26 -4.96 118.70 118.56 1f9a s GLU 117 Ca 0.56 1.87 -0.15 0.00 0.02 0.00 0.00 54.97 57.28 1f9a s GLU 117 Cb -0.12 -3.15 -0.06 0.00 0.10 0.00 0.00 34.13 30.90 1f9a s GLU 117 CO 0.54 0.13 0.48 -1.64 0.02 0.00 0.00 175.26 174.80 1f9a s MET 118 N -1.54 3.97 -0.19 1.61 -1.94 -1.26 -4.85 119.30 115.11 1f9a s MET 118 Ca 0.46 0.47 0.01 0.00 -1.71 0.00 0.00 55.69 54.91 1f9a s MET 118 Cb -0.33 -3.10 0.04 0.00 2.01 0.00 0.00 34.83 33.45 1f9a s MET 118 CO 0.43 0.59 -0.12 -0.06 -0.01 0.00 0.00 175.02 175.85 1f9a s PHE 119 N -1.26 2.39 -1.34 -0.03 0.40 -1.26 -4.80 117.98 112.09 1f9a s PHE 119 Ca 0.31 -1.52 -0.04 0.00 -0.60 0.00 0.00 56.93 55.08 1f9a s PHE 119 Cb -0.16 -1.65 0.02 0.00 0.51 0.00 0.00 43.02 41.74 1f9a s PHE 119 CO 0.17 -0.73 0.87 -1.71 0.70 0.00 0.00 175.22 174.52 1f9a n ASN 120 N 4.70 -2.63 0.32 1.36 5.15 -1.26 -4.64 115.26 118.26 1f9a n ASN 120 Ca -0.16 -0.74 0.21 0.00 -0.60 0.00 0.00 54.58 53.29 1f9a n ASN 120 Cb 0.47 -4.34 1.02 0.00 -0.53 0.00 0.00 39.78 36.40 1f9a n ASN 120 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1f9a h ARG 121 N -2.01 0.00 0.00 1.20 3.08 -1.87 0.13 114.38 114.91 1f9a h ARG 121 Ca -0.60 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.45 1f9a h ARG 121 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.41 1f9a h ARG 121 CO 0.57 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 181.10 1f9a n LYS 122 N -3.10 0.08 0.00 0.04 5.02 -1.26 -4.00 118.16 114.94 1f9a n LYS 122 Ca -0.02 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1f9a n LYS 122 Cb 0.16 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 1f9a n LYS 122 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1f9a n GLU 123 N -1.79 0.00 -2.91 1.97 1.02 -0.10 -4.91 120.64 113.92 1f9a n GLU 123 Ca 0.04 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.74 1f9a n GLU 123 Cb 0.23 -0.76 -0.01 0.00 -0.02 0.00 0.00 31.44 30.88 1f9a n GLU 123 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1f9a s TYR 124 N -1.98 3.35 -0.30 -0.32 4.12 -0.44 -4.56 117.35 117.22 1f9a s TYR 124 Ca 0.00 -1.91 -0.08 0.00 0.02 0.00 0.00 57.07 55.10 1f9a s TYR 124 Cb 0.00 -4.34 0.14 0.00 -1.52 0.00 0.00 41.96 36.24 1f9a s TYR 124 CO 0.00 -1.45 0.66 0.45 0.02 0.00 0.00 175.55 175.23 1f9a s SER 125 N 3.14 -1.17 0.19 2.29 0.15 -1.26 -4.63 113.70 112.42 1f9a s SER 125 Ca 0.41 1.38 -0.19 0.00 0.70 0.00 0.00 55.95 58.26 1f9a s SER 125 Cb -0.03 2.24 0.15 0.00 -1.71 0.00 0.00 66.02 66.67 1f9a s SER 125 CO -0.02 -0.22 1.60 1.23 1.20 0.00 0.00 173.24 177.03 1f9a h GLY 126 N 7.98 0.05 0.03 9.45 0.00 -1.84 0.82 103.07 119.55 1f9a h GLY 126 Ca -0.19 0.35 0.15 0.00 0.00 0.00 0.00 47.33 47.64 1f9a h GLY 126 CO 0.13 -0.22 0.22 -0.84 0.00 0.00 0.00 176.54 175.83 1f9a h THR 127 N -0.13 0.58 -0.34 4.70 2.02 -1.96 -0.49 112.91 117.28 1f9a h THR 127 Ca 0.24 -0.11 -0.11 0.00 0.77 0.00 0.00 66.41 67.20 1f9a h THR 127 Cb 0.52 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1f9a h THR 127 CO -0.64 0.06 -0.24 -0.08 0.37 0.00 0.00 175.52 174.99 1f9a h GLU 128 N 0.33 0.68 0.54 6.66 4.57 -1.68 -1.76 114.58 123.92 1f9a h GLU 128 Ca 0.40 -0.27 -0.02 0.00 -1.18 0.00 0.00 59.36 58.29 1f9a h GLU 128 Cb 0.66 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 1f9a h GLU 128 CO -0.46 0.86 -0.29 0.82 -1.18 0.00 0.00 179.01 178.75 1f9a h ILE 129 N 0.59 0.40 -0.61 2.32 2.04 -0.14 -1.19 117.51 120.93 1f9a h ILE 129 Ca 0.08 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.98 1f9a h ILE 129 Cb 0.72 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 1f9a h ILE 129 CO 0.06 0.00 0.36 0.03 0.00 0.00 0.00 178.15 178.59 1f9a h ARG 130 N -0.78 0.67 -0.64 2.37 3.08 -1.07 -0.13 114.38 117.88 1f9a h ARG 130 Ca -0.07 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 59.99 1f9a h ARG 130 Cb 0.61 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.46 1f9a h ARG 130 CO 0.10 0.44 0.36 -0.09 -1.07 0.00 0.00 179.97 179.71 1f9a h ARG 131 N 0.69 0.65 -0.71 0.04 2.43 -0.93 -1.89 114.38 114.66 1f9a h ARG 131 Ca 0.26 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.32 1f9a h ARG 131 Cb 0.08 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 1f9a h ARG 131 CO -0.13 0.43 0.18 0.00 -1.51 0.00 0.00 179.97 178.94 1f9a h ARG 132 N 0.67 1.13 -0.71 0.20 3.08 -0.92 -1.94 114.38 115.90 1f9a h ARG 132 Ca 0.28 -0.26 0.06 0.00 0.07 0.00 0.00 59.98 60.12 1f9a h ARG 132 Cb 0.15 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 1f9a h ARG 132 CO -0.16 0.99 0.47 0.52 -1.07 0.00 0.00 179.97 180.71 1f9a h MET 133 N 1.08 0.73 -0.19 0.04 2.86 -0.83 -1.15 114.93 117.47 1f9a h MET 133 Ca 0.23 -0.04 -0.16 0.00 -2.06 0.00 0.00 59.70 57.66 1f9a h MET 133 Cb 0.36 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1f9a h MET 133 CO 0.00 0.48 -0.50 -0.07 1.06 0.00 0.00 176.91 177.88 1f9a h LEU 134 N 0.75 0.77 -2.02 1.22 3.38 -1.06 -3.35 115.31 115.01 1f9a h LEU 134 Ca 0.30 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1f9a h LEU 134 Cb 0.22 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1f9a h LEU 134 CO -0.10 1.21 0.00 -0.46 0.09 0.00 0.00 178.44 179.18 1f9a n ASN 135 N -4.15 3.00 0.00 -0.43 0.23 -0.74 -4.94 115.26 108.23 1f9a n ASN 135 Ca -0.06 -1.94 0.00 0.00 -0.53 0.00 0.00 54.58 52.05 1f9a n ASN 135 Cb 0.60 -0.26 0.00 0.00 -2.08 0.00 0.00 39.78 38.03 1f9a n ASN 135 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1f9a n GLY 136 N 1.41 0.76 3.93 4.83 0.00 -0.53 -5.05 105.19 110.55 1f9a n GLY 136 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 1f9a n GLY 136 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f9a s GLU 137 N -0.54 2.98 -0.73 1.61 2.02 -0.64 -4.99 118.70 118.40 1f9a s GLU 137 Ca 0.00 -0.24 -0.16 0.00 0.02 0.00 0.00 54.97 54.59 1f9a s GLU 137 Cb 0.00 -2.41 0.17 0.00 0.10 0.00 0.00 34.13 32.00 1f9a s GLU 137 CO 0.00 -0.51 0.73 0.15 0.02 0.00 0.00 175.26 175.65 1f9a s LYS 138 N -4.79 3.37 0.00 1.61 1.02 -1.26 -4.48 119.74 115.21 1f9a s LYS 138 Ca 0.51 -2.04 0.25 0.00 0.02 0.00 0.00 55.97 54.71 1f9a s LYS 138 Cb -0.10 -4.42 0.50 0.00 -0.52 0.00 0.00 37.83 33.28 1f9a s LYS 138 CO 0.42 -1.38 1.40 -2.67 -0.92 0.00 0.00 175.35 172.19 1f9a n TRP 139 N 4.88 0.00 0.27 3.18 4.27 -1.26 -4.44 117.44 124.34 1f9a n TRP 139 Ca 0.05 0.00 0.16 0.00 -3.89 0.00 0.00 57.50 53.82 1f9a n TRP 139 Cb 0.45 -0.14 0.66 0.00 -1.36 0.00 0.00 31.31 30.92 1f9a n TRP 139 CO 0.00 0.00 0.00 0.93 -2.29 0.00 0.00 177.69 176.33 1f9a h GLU 140 N 0.84 0.00 0.00 -2.67 5.08 -1.93 0.71 114.58 116.60 1f9a h GLU 140 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1f9a h GLU 140 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1f9a h GLU 140 CO 0.00 0.04 0.00 -2.39 -1.00 0.00 0.00 179.01 175.66 1f9a n HIS 141 N -3.16 0.00 0.16 4.33 1.44 -1.26 -2.88 115.22 113.84 1f9a n HIS 141 Ca 0.00 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.83 1f9a n HIS 141 Cb 0.32 -0.21 -0.01 0.00 0.12 0.00 0.00 29.99 30.21 1f9a n HIS 141 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1f9a n LEU 142 N -1.21 0.71 -4.48 2.39 4.77 0.24 -4.93 117.00 114.49 1f9a n LEU 142 Ca 0.17 0.25 -0.24 0.00 -0.03 0.00 0.00 56.01 56.16 1f9a n LEU 142 Cb 0.21 -0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.13 1f9a n LEU 142 CO 0.22 -0.14 -0.40 0.68 -1.33 0.00 0.00 177.39 176.42 1f9a s VAL 143 N -3.36 2.05 0.59 4.08 -7.23 -1.14 -1.39 120.40 113.99 1f9a s VAL 143 Ca -0.01 -2.21 -0.20 0.00 -1.81 0.00 0.00 61.98 57.75 1f9a s VAL 143 Cb 0.11 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.52 1f9a s VAL 143 CO 0.80 -0.29 1.33 -2.84 -0.31 0.00 0.00 175.10 173.80 1f9a s PRO 144 N -3.64 2.92 0.24 4.82 0.02 -1.26 -4.81 135.00 133.30 1f9a s PRO 144 Ca 0.31 2.16 -0.05 0.00 0.02 0.00 0.00 61.00 63.44 1f9a s PRO 144 Cb 0.02 -2.09 0.46 0.00 0.02 0.00 0.00 34.50 32.91 1f9a s PRO 144 CO 0.14 -1.34 1.69 0.87 -0.33 0.00 0.00 177.00 178.03 1f9a h LYS 145 N 1.10 0.29 -0.98 5.54 1.57 -1.99 0.17 116.57 122.27 1f9a h LYS 145 Ca -0.51 -0.02 0.19 0.00 -1.87 0.00 0.00 60.65 58.44 1f9a h LYS 145 Cb 1.31 -0.06 -0.11 0.00 0.08 0.00 0.00 32.23 33.45 1f9a h LYS 145 CO 0.56 0.19 0.58 0.00 -0.57 0.00 0.00 179.45 180.20 1f9a h ALA 146 N 1.60 1.61 -0.35 3.86 0.00 -1.90 -1.02 119.26 123.06 1f9a h ALA 146 Ca 0.42 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.36 1f9a h ALA 146 Cb 0.70 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1f9a h ALA 146 CO -0.49 -0.07 0.00 0.28 0.00 0.00 0.00 179.25 178.96 1f9a h VAL 147 N 0.72 1.26 -0.01 0.00 2.07 -0.94 -1.69 116.25 117.65 1f9a h VAL 147 Ca 0.57 -0.97 0.02 0.00 0.82 0.00 0.00 66.70 67.13 1f9a h VAL 147 Cb 0.88 1.20 -0.06 0.00 -1.52 0.00 0.00 31.29 31.80 1f9a h VAL 147 CO -0.39 0.32 -0.53 0.58 0.02 0.00 0.00 177.57 177.57 1f9a h VAL 148 N 0.43 0.00 -0.50 2.57 2.07 -0.92 -0.45 116.25 119.46 1f9a h VAL 148 Ca 0.10 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.66 1f9a h VAL 148 Cb 0.45 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.16 1f9a h VAL 148 CO 0.02 0.00 -0.29 0.47 0.02 0.00 0.00 177.57 177.78 1f9a n ASP 149 N -5.42 -0.53 -0.02 0.57 8.00 -0.43 -1.10 116.55 117.62 1f9a n ASP 149 Ca -0.07 1.11 -0.10 0.00 0.71 0.00 0.00 54.79 56.44 1f9a n ASP 149 Cb 0.39 -0.22 -0.04 0.00 -0.02 0.00 0.00 41.12 41.23 1f9a n ASP 149 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1f9a h VAL 150 N 0.00 0.89 -1.01 2.53 2.07 -0.83 -0.86 116.25 119.04 1f9a h VAL 150 Ca 0.08 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.65 1f9a h VAL 150 Cb 0.20 0.85 -0.07 0.00 -1.52 0.00 0.00 31.29 30.76 1f9a h VAL 150 CO -0.47 0.01 0.65 0.40 0.02 0.00 0.00 177.57 178.18 1f9a h ILE 151 N 0.04 1.11 -0.15 4.57 2.04 -0.72 -0.73 117.51 123.66 1f9a h ILE 151 Ca 0.07 -0.41 0.03 0.00 1.00 0.00 0.00 64.86 65.54 1f9a h ILE 151 Cb 0.09 -0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 35.94 1f9a h ILE 151 CO -0.12 0.22 -0.02 0.11 0.00 0.00 0.00 178.15 178.34 1f9a h LYS 152 N 1.21 0.03 -0.82 2.37 1.57 -0.82 0.79 116.57 120.89 1f9a h LYS 152 Ca 0.43 -0.00 0.19 0.00 -1.87 0.00 0.00 60.65 59.40 1f9a h LYS 152 Cb 0.13 -0.01 -0.12 0.00 0.08 0.00 0.00 32.23 32.31 1f9a h LYS 152 CO -0.16 0.02 0.25 1.49 -0.57 0.00 0.00 179.45 180.48 1f9a h GLU 153 N 0.03 0.29 -0.34 3.15 4.81 0.26 -2.56 114.58 120.22 1f9a h GLU 153 Ca 0.07 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1f9a h GLU 153 Cb 0.10 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1f9a h GLU 153 CO -0.14 0.19 0.00 0.44 -0.73 0.00 0.00 179.01 178.77 1f9a n ILE 154 N -5.14 0.45 -3.88 2.32 -5.35 -0.61 -4.92 119.36 102.24 1f9a n ILE 154 Ca 0.18 -0.73 -0.35 0.00 -0.27 0.00 0.00 62.75 61.58 1f9a n ILE 154 Cb 0.56 1.03 0.02 0.00 -1.74 0.00 0.00 39.64 39.52 1f9a n ILE 154 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1f9a n LYS 155 N 1.42 -1.21 0.09 6.28 5.02 -0.90 -4.89 118.16 123.97 1f9a n LYS 155 Ca 0.18 0.31 -0.07 0.00 -2.02 0.00 0.00 58.31 56.71 1f9a n LYS 155 Cb 0.59 -3.66 0.01 0.00 -0.02 0.00 0.00 35.03 31.95 1f9a n LYS 155 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1f9a h GLY 156 N -2.12 0.18 0.92 0.72 0.00 -1.14 -2.00 103.07 99.63 1f9a h GLY 156 Ca -0.68 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 46.33 1f9a h GLY 156 CO 0.53 0.27 0.12 -2.08 0.00 0.00 0.00 176.54 175.37 1f9a h VAL 157 N 0.09 1.20 -0.16 4.60 2.07 -1.92 -1.30 116.25 120.83 1f9a h VAL 157 Ca -0.03 -0.63 0.04 0.00 0.82 0.00 0.00 66.70 66.89 1f9a h VAL 157 Cb 1.45 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 32.15 1f9a h VAL 157 CO 0.12 0.22 -0.08 -0.33 0.02 0.00 0.00 177.57 177.52 1f9a h GLU 158 N 0.41 -0.07 -0.44 1.57 5.08 -1.90 -1.38 114.58 117.86 1f9a h GLU 158 Ca 0.11 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.57 1f9a h GLU 158 Cb 0.22 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.40 1f9a h GLU 158 CO -0.01 -0.04 -0.18 -0.09 -1.00 0.00 0.00 179.01 177.69 1f9a h ARG 159 N -0.07 -0.08 -0.83 2.33 2.43 -1.07 -1.12 114.38 115.97 1f9a h ARG 159 Ca 0.09 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1f9a h ARG 159 Cb 0.20 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.73 1f9a h ARG 159 CO -0.20 -0.05 0.45 1.25 -1.51 0.00 0.00 179.97 179.90 1f9a h LEU 160 N -0.08 1.04 -0.55 3.80 5.85 -0.81 -1.14 115.31 123.41 1f9a h LEU 160 Ca 0.21 -0.10 -0.15 0.00 0.84 0.00 0.00 57.88 58.68 1f9a h LEU 160 Cb 0.41 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1f9a h LEU 160 CO -0.49 0.84 -0.44 0.03 -0.34 0.00 0.00 178.44 178.04 1f9a h ARG 161 N 1.15 0.67 -0.81 1.25 3.08 -0.99 -1.57 114.38 117.17 1f9a h ARG 161 Ca 0.29 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1f9a h ARG 161 Cb 0.04 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 1f9a h ARG 161 CO -0.05 0.98 0.45 0.87 -1.07 0.00 0.00 179.97 181.15 1f9a h LYS 162 N 0.55 1.12 0.00 0.04 1.57 -0.91 -2.86 116.57 116.07 1f9a h LYS 162 Ca 0.04 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 1f9a h LYS 162 Cb 0.97 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1f9a h LYS 162 CO 0.09 0.82 -0.31 -0.07 -0.57 0.00 0.00 179.45 179.40 1f9a h LEU 163 N 1.13 0.00 -0.16 2.94 3.38 -0.29 -3.51 115.31 118.79 1f9a h LEU 163 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1f9a h LEU 163 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1f9a h LEU 163 CO -0.05 0.31 0.00 0.00 0.09 0.00 0.00 178.44 178.80