#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 2.61 0.45 3.23 0.52 -1.26 -0.25 118.95 124.25 1f9a s ARG 2 Ca 0.00 -0.80 0.03 0.00 -0.52 0.00 0.00 55.73 54.44 1f9a s ARG 2 Cb 0.00 -2.30 0.01 0.00 0.52 0.00 0.00 34.95 33.18 1f9a s ARG 2 CO 0.00 0.46 0.64 0.20 0.02 0.00 0.00 175.30 176.62 1f9a s GLY 3 N -0.34 1.70 -0.09 -3.53 0.00 0.22 -1.12 107.32 104.17 1f9a s GLY 3 Ca 0.02 -1.30 -0.04 0.00 0.00 0.00 0.00 44.72 43.40 1f9a s GLY 3 CO 0.02 -1.12 0.17 -0.12 0.00 0.00 0.00 173.10 172.06 1f9a s PHE 4 N -2.50 -0.21 0.20 1.90 5.36 -0.58 -0.85 117.98 121.29 1f9a s PHE 4 Ca 0.51 0.66 0.08 0.00 -0.96 0.00 0.00 56.93 57.22 1f9a s PHE 4 Cb -0.10 -0.22 -0.05 0.00 -0.34 0.00 0.00 43.02 42.32 1f9a s PHE 4 CO 0.36 -0.28 -0.16 -1.50 -1.46 0.00 0.00 175.22 172.18 1f9a s ILE 5 N 2.25 1.84 -0.02 3.12 2.07 -0.71 -1.23 121.20 128.53 1f9a s ILE 5 Ca 0.02 -2.15 -0.00 0.00 -1.41 0.00 0.00 60.65 57.10 1f9a s ILE 5 Cb -0.12 -2.02 0.02 0.00 0.13 0.00 0.00 42.46 40.47 1f9a s ILE 5 CO -0.06 -0.50 0.03 -0.51 -1.91 0.00 0.00 174.94 171.99 1f9a s ILE 6 N -2.67 -0.03 0.34 2.00 2.07 -1.26 -0.90 121.20 120.75 1f9a s ILE 6 Ca 0.21 0.10 -0.11 0.00 -1.41 0.00 0.00 60.65 59.45 1f9a s ILE 6 Cb -0.03 -0.07 0.04 0.00 0.13 0.00 0.00 42.46 42.54 1f9a s ILE 6 CO 0.08 0.04 0.64 0.61 -1.91 0.00 0.00 174.94 174.40 1f9a n GLY 7 N 3.62 1.34 0.09 1.50 0.00 -0.91 -4.99 105.19 105.83 1f9a n GLY 7 Ca -0.20 -1.31 -0.05 0.00 0.00 0.00 0.00 46.02 44.47 1f9a n GLY 7 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1f9a h ARG 8 N 0.00 0.00 -6.24 1.61 3.08 -1.86 0.59 114.38 111.56 1f9a h ARG 8 Ca -0.29 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.32 1f9a h ARG 8 Cb 1.09 0.00 0.03 0.00 0.08 0.00 0.00 29.97 31.17 1f9a h ARG 8 CO 0.37 0.41 -0.88 1.19 -1.07 0.00 0.00 179.97 179.99 1f9a n PHE 9 N -2.98 -1.84 -3.92 3.04 3.01 -1.26 -4.68 117.46 108.83 1f9a n PHE 9 Ca -0.13 0.71 -0.30 0.00 1.01 0.00 0.00 57.45 58.74 1f9a n PHE 9 Cb 0.95 -3.93 -0.13 0.00 -0.01 0.00 0.00 39.48 36.36 1f9a n PHE 9 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1f9a s GLN 10 N -6.11 2.19 0.51 -1.08 -0.21 -1.26 -2.30 119.66 111.39 1f9a s GLN 10 Ca 0.13 -2.88 0.06 0.00 0.02 0.00 0.00 55.36 52.70 1f9a s GLN 10 Cb -0.04 -3.38 0.04 0.00 1.00 0.00 0.00 33.01 30.62 1f9a s GLN 10 CO 0.85 -1.17 0.70 -1.25 -2.12 0.00 0.00 175.29 172.29 1f9a s PRO 11 N -0.70 2.55 0.03 2.91 0.04 -1.26 -4.68 135.00 133.90 1f9a s PRO 11 Ca 0.20 -1.22 -0.37 0.00 0.04 0.00 0.00 61.00 59.64 1f9a s PRO 11 Cb -0.18 -2.64 -0.17 0.00 0.04 0.00 0.00 34.50 31.55 1f9a s PRO 11 CO -0.06 -0.60 1.37 0.34 0.04 0.00 0.00 177.00 178.10 1f9a n PHE 12 N -2.12 1.52 -4.12 0.56 7.35 -0.97 -4.73 117.46 114.95 1f9a n PHE 12 Ca 0.10 0.66 -0.06 0.00 -0.76 0.00 0.00 57.45 57.39 1f9a n PHE 12 Cb 0.60 -2.33 -0.02 0.00 0.35 0.00 0.00 39.48 38.08 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 2.82 0.00 0.15 -5.13 1.44 -1.26 -4.70 115.22 108.55 1f9a n HIS 13 Ca 0.20 -0.65 0.06 0.00 -2.01 0.00 0.00 57.72 55.32 1f9a n HIS 13 Cb 0.17 0.01 0.06 0.00 0.12 0.00 0.00 29.99 30.35 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 0.11 -1.40 1.57 -1.71 -1.79 116.57 113.35 1f9a h LYS 14 Ca -0.08 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1f9a h LYS 14 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1f9a h LYS 14 CO 0.12 0.29 -0.05 0.78 -0.57 0.00 0.00 179.45 180.01 1f9a h GLY 15 N 3.71 -0.15 0.16 3.86 0.00 -1.84 -2.11 103.07 106.70 1f9a h GLY 15 Ca -0.02 0.06 0.13 0.00 0.00 0.00 0.00 47.33 47.49 1f9a h GLY 15 CO 0.04 -0.06 0.20 0.45 0.00 0.00 0.00 176.54 177.17 1f9a h HIS 16 N -0.15 0.33 -0.63 5.60 3.86 -1.78 0.75 115.15 123.13 1f9a h HIS 16 Ca -0.02 0.04 0.01 0.00 -1.16 0.00 0.00 60.37 59.24 1f9a h HIS 16 Cb 0.12 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.51 1f9a h HIS 16 CO -0.07 0.01 0.42 1.25 0.86 0.00 0.00 177.93 180.40 1f9a h LEU 17 N 0.34 0.72 -0.08 2.43 6.46 -1.16 -0.07 115.31 123.95 1f9a h LEU 17 Ca 0.36 -0.02 -0.22 0.00 -0.12 0.00 0.00 57.88 57.88 1f9a h LEU 17 Cb 0.54 -0.18 0.01 0.00 -0.73 0.00 0.00 40.66 40.30 1f9a h LEU 17 CO -0.41 0.52 -0.81 -0.33 -0.62 0.00 0.00 178.44 176.80 1f9a h GLU 18 N 0.85 0.69 -0.51 1.25 4.39 -1.13 -1.89 114.58 118.23 1f9a h GLU 18 Ca 0.23 -0.63 0.06 0.00 0.34 0.00 0.00 59.36 59.36 1f9a h GLU 18 Cb -0.09 0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 1f9a h GLU 18 CO -0.05 1.24 0.34 -0.24 -1.16 0.00 0.00 179.01 179.13 1f9a h VAL 19 N 0.36 0.99 0.01 3.13 3.04 -0.68 -2.14 116.25 120.95 1f9a h VAL 19 Ca -0.08 -0.16 -0.25 0.00 -1.01 0.00 0.00 66.70 65.20 1f9a h VAL 19 Cb 1.46 0.48 0.02 0.00 -2.01 0.00 0.00 31.29 31.24 1f9a h VAL 19 CO 0.16 0.08 -1.02 0.40 -1.01 0.00 0.00 177.57 176.19 1f9a h ILE 20 N 0.46 1.32 -0.63 3.17 2.04 -0.88 -1.36 117.51 121.63 1f9a h ILE 20 Ca 0.22 -2.33 -0.08 0.00 1.00 0.00 0.00 64.86 63.66 1f9a h ILE 20 Cb 0.28 2.41 -0.03 0.00 -0.74 0.00 0.00 36.82 38.75 1f9a h ILE 20 CO -0.06 0.71 0.08 0.11 0.00 0.00 0.00 178.15 178.99 1f9a h LYS 21 N 0.33 1.05 0.49 2.37 1.57 -1.22 -1.31 116.57 119.86 1f9a h LYS 21 Ca -0.12 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.36 1f9a h LYS 21 Cb 1.67 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.86 1f9a h LYS 21 CO 0.19 0.98 -0.24 -0.22 -0.57 0.00 0.00 179.45 179.59 1f9a h LYS 22 N 0.98 -0.64 -0.95 3.15 1.63 -1.37 -2.30 116.57 117.07 1f9a h LYS 22 Ca 0.19 0.04 0.27 0.00 -0.85 0.00 0.00 60.65 60.30 1f9a h LYS 22 Cb 0.45 0.15 -0.14 0.00 -0.60 0.00 0.00 32.23 32.09 1f9a h LYS 22 CO 0.02 -0.36 0.45 0.82 -3.45 0.00 0.00 179.45 176.92 1f9a h ILE 23 N -0.81 0.37 0.00 2.00 2.04 -1.18 -1.46 117.51 118.47 1f9a h ILE 23 Ca -0.07 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1f9a h ILE 23 Cb 0.57 -0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1f9a h ILE 23 CO 0.11 0.06 0.00 0.00 0.00 0.00 0.00 178.15 178.32 1f9a n ALA 24 N -2.45 1.66 1.36 1.87 0.00 -0.50 -0.65 120.51 121.80 1f9a n ALA 24 Ca 0.26 -0.02 0.14 0.00 0.00 0.00 0.00 53.44 53.83 1f9a n ALA 24 Cb 0.81 -1.27 0.64 0.00 0.00 0.00 0.00 19.45 19.63 1f9a n ALA 24 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1f9a n GLU 25 N -1.68 0.52 -0.00 0.00 1.02 -0.55 -4.04 120.64 115.90 1f9a n GLU 25 Ca 0.03 -0.13 0.04 0.00 -0.02 0.00 0.00 57.16 57.09 1f9a n GLU 25 Cb 0.18 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.05 1f9a n GLU 25 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1f9a n GLU 26 N -1.13 2.73 -3.87 3.49 1.02 0.17 -5.07 120.64 117.98 1f9a n GLU 26 Ca 0.13 -0.03 -0.09 0.00 -0.02 0.00 0.00 57.16 57.16 1f9a n GLU 26 Cb 0.27 -1.03 -0.07 0.00 -0.02 0.00 0.00 31.44 30.59 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 -2.12 0.15 0.02 2.62 0.11 -1.14 -5.05 120.40 114.99 1f9a s VAL 27 Ca 0.01 -1.22 -0.03 0.00 -2.93 0.00 0.00 61.98 57.80 1f9a s VAL 27 Cb 0.06 -1.36 -0.28 0.00 -1.53 0.00 0.00 36.38 33.27 1f9a s VAL 27 CO 0.37 -0.66 0.91 0.44 -3.33 0.00 0.00 175.10 172.83 1f9a h ASP 28 N 2.77 0.40 -5.19 3.54 3.32 -0.92 -3.43 116.42 116.90 1f9a h ASP 28 Ca -0.34 -0.53 -0.12 0.00 0.02 0.00 0.00 57.03 56.07 1f9a h ASP 28 Cb 1.20 -0.13 -0.15 0.00 0.22 0.00 0.00 39.33 40.46 1f9a h ASP 28 CO 0.57 1.43 -0.60 -1.61 -1.72 0.00 0.00 179.24 177.30 1f9a s GLU 29 N -2.62 0.63 -0.04 3.56 2.02 -1.07 -4.31 118.70 116.87 1f9a s GLU 29 Ca -0.08 -1.08 -0.01 0.00 0.02 0.00 0.00 54.97 53.82 1f9a s GLU 29 Cb 0.07 0.23 0.03 0.00 0.10 0.00 0.00 34.13 34.56 1f9a s GLU 29 CO 0.86 -0.14 0.04 0.42 0.02 0.00 0.00 175.26 176.45 1f9a s ILE 30 N -3.62 0.04 -0.25 -1.63 1.01 -0.66 -0.61 121.20 115.48 1f9a s ILE 30 Ca 0.04 0.29 -0.21 0.00 0.00 0.00 0.00 60.65 60.77 1f9a s ILE 30 Cb 0.05 -0.24 -0.02 0.00 0.01 0.00 0.00 42.46 42.27 1f9a s ILE 30 CO -0.09 0.18 0.66 -0.63 0.00 0.00 0.00 174.94 175.06 1f9a s ILE 31 N 1.82 4.96 -0.44 2.92 1.09 -0.03 -1.56 121.20 129.96 1f9a s ILE 31 Ca 0.01 1.20 -0.13 0.00 -1.10 0.00 0.00 60.65 60.63 1f9a s ILE 31 Cb -0.12 -3.96 0.07 0.00 -1.06 0.00 0.00 42.46 37.38 1f9a s ILE 31 CO -0.03 0.01 0.33 -0.63 -0.10 0.00 0.00 174.94 174.51 1f9a s ILE 32 N 2.56 4.81 -0.13 2.92 1.01 0.24 -1.73 121.20 130.88 1f9a s ILE 32 Ca 0.28 -1.16 -0.29 0.00 0.00 0.00 0.00 60.65 59.47 1f9a s ILE 32 Cb -0.15 -3.88 -0.01 0.00 0.01 0.00 0.00 42.46 38.43 1f9a s ILE 32 CO 0.08 -0.52 1.08 -0.83 0.00 0.00 0.00 174.94 174.75 1f9a s GLY 33 N 2.31 2.08 -0.50 6.18 0.00 -0.08 -1.42 107.32 115.90 1f9a s GLY 33 Ca 0.04 0.39 -0.15 0.00 0.00 0.00 0.00 44.72 44.99 1f9a s GLY 33 CO 0.05 2.10 0.43 -0.42 0.00 0.00 0.00 173.10 175.25 1f9a s ILE 34 N 2.48 5.09 0.68 0.90 1.01 0.31 -2.15 121.20 129.51 1f9a s ILE 34 Ca 0.49 -1.31 -0.09 0.00 0.00 0.00 0.00 60.65 59.74 1f9a s ILE 34 Cb -0.19 -4.15 0.02 0.00 0.01 0.00 0.00 42.46 38.15 1f9a s ILE 34 CO 0.16 -0.70 1.03 -0.83 0.00 0.00 0.00 174.94 174.59 1f9a s GLY 35 N 2.98 1.62 -1.52 6.18 0.00 0.21 -0.80 107.32 115.99 1f9a s GLY 35 Ca 0.04 -0.55 -0.13 0.00 0.00 0.00 0.00 44.72 44.08 1f9a s GLY 35 CO 0.04 -0.20 0.94 1.44 0.00 0.00 0.00 173.10 175.33 1f9a n SER 36 N -2.88 -4.36 -0.28 1.64 7.64 -1.08 -4.54 113.62 109.76 1f9a n SER 36 Ca 0.06 -0.80 0.07 0.00 1.01 0.00 0.00 58.87 59.22 1f9a n SER 36 Cb 0.58 -3.85 0.30 0.00 -1.01 0.00 0.00 64.21 60.23 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 0.96 1.64 -0.00 -0.43 0.00 -1.59 -0.74 119.26 119.10 1f9a h ALA 37 Ca -0.58 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1f9a h ALA 37 Cb 1.38 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1f9a h ALA 37 CO 0.67 0.17 -0.36 0.00 0.00 0.00 0.00 179.25 179.73 1f9a n GLN 38 N -4.53 0.00 -2.86 0.00 0.00 -1.26 -3.53 117.38 105.20 1f9a n GLN 38 Ca 0.15 -0.00 -0.42 0.00 0.00 0.00 0.00 57.00 56.73 1f9a n GLN 38 Cb 0.31 -1.50 -0.04 0.00 0.00 0.00 0.00 30.24 29.01 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 -3.00 4.26 0.23 2.61 1.02 -0.29 -5.02 119.74 119.55 1f9a s LYS 39 Ca 0.12 1.04 -0.12 0.00 0.02 0.00 0.00 55.97 57.03 1f9a s LYS 39 Cb 0.18 -3.60 -0.01 0.00 -0.52 0.00 0.00 37.83 33.88 1f9a s LYS 39 CO 0.65 -0.43 0.43 -1.54 -0.92 0.00 0.00 175.35 173.55 1f9a s SER 40 N 1.22 -0.07 -1.46 2.83 1.04 -1.24 -4.66 113.70 111.37 1f9a s SER 40 Ca 0.38 -0.93 -0.06 0.00 0.48 0.00 0.00 55.95 55.82 1f9a s SER 40 Cb -0.16 0.55 0.01 0.00 0.10 0.00 0.00 66.02 66.52 1f9a s SER 40 CO 0.10 -1.08 0.74 1.41 0.98 0.00 0.00 173.24 175.39 1f9a n HIS 41 N -0.35 -2.14 -4.36 5.02 8.25 -0.24 -4.85 115.22 116.54 1f9a n HIS 41 Ca -0.02 0.63 -0.19 0.00 -0.26 0.00 0.00 57.72 57.88 1f9a n HIS 41 Cb 0.62 -4.55 -0.10 0.00 1.12 0.00 0.00 29.99 27.09 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 -3.20 1.70 0.40 1.59 2.01 -0.92 -4.96 115.64 112.26 1f9a s THR 42 Ca 0.37 -2.19 0.26 0.00 0.31 0.00 0.00 61.69 60.43 1f9a s THR 42 Cb -0.16 -2.14 0.27 0.00 0.01 0.00 0.00 72.50 70.48 1f9a s THR 42 CO 0.45 -0.52 2.04 -0.07 -0.69 0.00 0.00 174.62 175.83 1f9a h LEU 43 N 2.49 0.00 0.00 4.42 3.38 -1.94 -1.55 115.31 122.12 1f9a h LEU 43 Ca -0.38 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.29 1f9a h LEU 43 Cb 1.22 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.93 1f9a h LEU 43 CO 0.63 0.14 -1.69 -0.33 0.09 0.00 0.00 178.44 177.28 1f9a h GLU 44 N 0.00 0.01 -2.31 1.13 5.08 -1.99 -3.42 114.58 113.08 1f9a h GLU 44 Ca -0.00 -0.02 -0.59 0.00 -1.00 0.00 0.00 59.36 57.75 1f9a h GLU 44 Cb 0.37 0.01 -0.40 0.00 0.50 0.00 0.00 28.75 29.22 1f9a h GLU 44 CO 0.02 0.53 -0.81 0.09 -1.00 0.00 0.00 179.01 177.84 1f9a n ASN 45 N -3.07 1.86 0.03 1.42 3.02 -1.06 -4.90 115.26 112.57 1f9a n ASN 45 Ca -0.17 -3.01 -0.02 0.00 -0.03 0.00 0.00 54.58 51.35 1f9a n ASN 45 Cb 1.05 -0.66 0.23 0.00 -0.61 0.00 0.00 39.78 39.79 1f9a n ASN 45 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1f9a h PRO 46 N 4.55 0.43 -6.06 3.52 0.13 -1.54 -1.62 132.00 131.41 1f9a h PRO 46 Ca 0.16 -0.15 -0.67 0.00 -0.87 0.00 0.00 66.00 64.47 1f9a h PRO 46 Cb 0.78 -0.03 -0.13 0.00 0.13 0.00 0.00 31.00 31.76 1f9a h PRO 46 CO 0.63 0.64 -0.61 -0.06 -0.23 0.00 0.00 178.00 178.37 1f9a s PHE 47 N -4.52 3.17 0.86 1.56 2.99 -1.26 -1.08 117.98 119.70 1f9a s PHE 47 Ca -0.06 0.16 -0.12 0.00 0.00 0.00 0.00 56.93 56.90 1f9a s PHE 47 Cb 0.14 -1.72 0.11 0.00 0.00 0.00 0.00 43.02 41.55 1f9a s PHE 47 CO 0.78 0.50 1.12 0.99 -0.00 0.00 0.00 175.22 178.61 1f9a s THR 48 N -1.08 2.40 0.21 0.64 2.01 -1.26 -4.49 115.64 114.07 1f9a s THR 48 Ca 0.19 0.13 -0.09 0.00 0.31 0.00 0.00 61.69 62.23 1f9a s THR 48 Cb -0.12 -2.90 0.14 0.00 0.01 0.00 0.00 72.50 69.64 1f9a s THR 48 CO 0.10 -0.17 1.78 0.00 -0.69 0.00 0.00 174.62 175.64 1f9a h ALA 49 N -1.32 0.84 -0.24 7.40 0.00 -1.86 -1.93 119.26 122.16 1f9a h ALA 49 Ca -0.49 0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.29 1f9a h ALA 49 Cb 1.31 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1f9a h ALA 49 CO 0.61 -0.06 -0.53 0.78 0.00 0.00 0.00 179.25 180.04 1f9a h GLY 50 N 0.56 0.77 1.58 0.00 0.00 -1.93 0.48 103.07 104.53 1f9a h GLY 50 Ca 0.30 -0.89 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1f9a h GLY 50 CO -0.23 0.80 0.28 0.83 0.00 0.00 0.00 176.54 178.22 1f9a h GLU 51 N 0.54 0.56 -0.11 4.80 5.08 -1.85 -2.20 114.58 121.40 1f9a h GLU 51 Ca 0.01 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.14 1f9a h GLU 51 Cb 1.11 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1f9a h GLU 51 CO 0.11 0.37 -0.76 0.00 -1.00 0.00 0.00 179.01 177.73 1f9a h ARG 52 N 0.57 0.57 0.02 2.33 3.08 -1.01 -2.41 114.38 117.54 1f9a h ARG 52 Ca 0.16 -0.47 0.02 0.00 0.07 0.00 0.00 59.98 59.76 1f9a h ARG 52 Cb -0.06 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 1f9a h ARG 52 CO -0.03 1.09 -0.15 0.82 -1.07 0.00 0.00 179.97 180.63 1f9a h ILE 53 N 0.39 0.64 -0.98 2.04 2.04 -0.83 -0.42 117.51 120.39 1f9a h ILE 53 Ca -0.04 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.87 1f9a h ILE 53 Cb 1.36 0.64 -0.06 0.00 -0.74 0.00 0.00 36.82 38.02 1f9a h ILE 53 CO 0.14 0.00 0.64 0.25 0.00 0.00 0.00 178.15 179.18 1f9a h LEU 54 N -0.26 1.03 -0.06 1.44 5.85 -1.23 0.48 115.31 122.56 1f9a h LEU 54 Ca 0.04 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1f9a h LEU 54 Cb 0.31 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 1f9a h LEU 54 CO -0.13 0.68 -0.02 0.24 -0.34 0.00 0.00 178.44 178.87 1f9a h MET 55 N 1.18 0.12 -0.17 1.25 2.86 -1.08 0.15 114.93 119.25 1f9a h MET 55 Ca 0.41 -0.05 -0.16 0.00 -2.06 0.00 0.00 59.70 57.84 1f9a h MET 55 Cb 0.10 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.76 1f9a h MET 55 CO -0.15 0.46 -0.52 0.82 1.06 0.00 0.00 176.91 178.59 1f9a h ILE 56 N -0.22 1.33 -0.26 -1.22 2.04 -0.89 -0.61 117.51 117.67 1f9a h ILE 56 Ca 0.02 -1.77 -0.04 0.00 1.00 0.00 0.00 64.86 64.07 1f9a h ILE 56 Cb 0.42 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 1f9a h ILE 56 CO 0.01 0.55 0.03 0.74 0.00 0.00 0.00 178.15 179.47 1f9a h THR 57 N 0.32 1.24 -0.42 -0.27 2.02 -0.75 -2.51 112.91 112.55 1f9a h THR 57 Ca -0.02 -0.84 0.03 0.00 0.77 0.00 0.00 66.41 66.35 1f9a h THR 57 Cb 1.14 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 68.81 1f9a h THR 57 CO 0.11 0.27 0.28 1.56 0.37 0.00 0.00 175.52 178.11 1f9a h GLN 58 N 0.25 0.45 -0.20 6.66 1.08 -0.68 0.24 115.11 122.90 1f9a h GLN 58 Ca 0.08 -0.03 -0.14 0.00 -1.45 0.00 0.00 58.65 57.11 1f9a h GLN 58 Cb 0.37 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 1f9a h GLN 58 CO 0.01 0.30 -0.45 0.77 -0.95 0.00 0.00 178.83 178.50 1f9a h SER 59 N 0.46 0.54 0.00 1.46 0.02 -0.81 -3.31 113.55 111.91 1f9a h SER 59 Ca 0.17 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1f9a h SER 59 Cb 0.10 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1f9a h SER 59 CO -0.04 0.92 -1.93 0.18 -1.14 0.00 0.00 176.83 174.82 1f9a n LEU 60 N -4.00 0.03 -0.25 5.07 4.77 -0.96 -4.32 117.00 117.34 1f9a n LEU 60 Ca -0.02 -0.02 0.32 0.00 -0.03 0.00 0.00 56.01 56.26 1f9a n LEU 60 Cb 0.54 0.00 0.73 0.00 -2.33 0.00 0.00 43.42 42.36 1f9a n LEU 60 CO 0.45 0.01 1.30 0.07 -1.33 0.00 0.00 177.39 177.88 1f9a h LYS 61 N 0.00 0.00 -0.40 3.23 2.10 -1.05 0.37 116.57 120.82 1f9a h LYS 61 Ca 0.00 0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.69 1f9a h LYS 61 Cb 0.95 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.22 1f9a h LYS 61 CO 0.00 0.00 -0.27 -0.44 -2.00 0.00 0.00 179.45 176.74 1f9a h ASP 62 N 0.00 -0.97 -4.26 7.07 3.32 -1.77 -3.46 116.42 116.35 1f9a h ASP 62 Ca 0.50 0.14 -0.50 0.00 0.02 0.00 0.00 57.03 57.19 1f9a h ASP 62 Cb 2.07 0.42 0.07 0.00 0.22 0.00 0.00 39.33 42.10 1f9a h ASP 62 CO -0.01 -0.12 0.36 -0.31 -1.72 0.00 0.00 179.24 177.44 1f9a s TYR 63 N -4.16 3.45 -0.53 4.55 2.02 0.13 -4.97 117.35 117.84 1f9a s TYR 63 Ca -0.06 1.07 -0.07 0.00 -0.37 0.00 0.00 57.07 57.64 1f9a s TYR 63 Cb 0.05 -2.84 -0.21 0.00 -0.40 0.00 0.00 41.96 38.56 1f9a s TYR 63 CO 0.28 -0.88 3.35 -0.25 -1.57 0.00 0.00 175.55 176.48 1f9a n ASP 64 N -2.80 6.27 -3.99 2.29 9.92 -1.26 -4.88 116.55 122.10 1f9a n ASP 64 Ca 0.06 -2.49 -0.13 0.00 -0.53 0.00 0.00 54.79 51.70 1f9a n ASP 64 Cb 0.56 -1.44 -0.12 0.00 -0.64 0.00 0.00 41.12 39.48 1f9a n ASP 64 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 1f9a s LEU 65 N 0.06 2.15 -0.30 0.64 2.34 -1.26 -5.12 118.68 117.18 1f9a s LEU 65 Ca 0.66 -0.33 -0.10 0.00 0.06 0.00 0.00 54.13 54.42 1f9a s LEU 65 Cb 0.27 -0.11 -0.02 0.00 -0.56 0.00 0.00 46.19 45.78 1f9a s LEU 65 CO -0.02 -0.12 0.15 -0.89 -1.06 0.00 0.00 176.35 174.41 1f9a s THR 66 N -0.86 4.71 0.24 5.48 2.01 -1.26 -5.05 115.64 120.90 1f9a s THR 66 Ca -0.07 -0.30 0.05 0.00 0.31 0.00 0.00 61.69 61.68 1f9a s THR 66 Cb -0.06 -3.36 -0.05 0.00 0.01 0.00 0.00 72.50 69.03 1f9a s THR 66 CO -0.00 0.11 -0.04 -0.72 -0.69 0.00 0.00 174.62 173.28 1f9a s TYR 67 N 1.64 1.67 -0.33 4.92 -0.85 -1.26 -1.66 117.35 121.48 1f9a s TYR 67 Ca 0.05 -0.80 -0.01 0.00 -0.52 0.00 0.00 57.07 55.79 1f9a s TYR 67 Cb -0.17 -0.94 0.12 0.00 0.38 0.00 0.00 41.96 41.36 1f9a s TYR 67 CO 0.07 0.11 0.17 0.71 -1.52 0.00 0.00 175.55 175.09 1f9a s TYR 68 N -3.24 0.69 -0.58 -3.49 1.51 -0.60 -4.95 117.35 106.70 1f9a s TYR 68 Ca 0.27 -1.39 -0.25 0.00 -1.01 0.00 0.00 57.07 54.69 1f9a s TYR 68 Cb 0.04 -1.01 0.04 0.00 -0.11 0.00 0.00 41.96 40.92 1f9a s TYR 68 CO 0.09 -0.83 1.00 -1.25 -1.11 0.00 0.00 175.55 173.45 1f9a s PRO 69 N 1.45 3.32 -0.13 -1.71 0.04 -1.26 0.83 135.00 137.55 1f9a s PRO 69 Ca 0.14 -0.25 0.01 0.00 0.04 0.00 0.00 61.00 60.93 1f9a s PRO 69 Cb -0.20 -4.07 0.02 0.00 0.04 0.00 0.00 34.50 30.29 1f9a s PRO 69 CO -0.15 -1.59 -0.13 0.42 0.04 0.00 0.00 177.00 175.58 1f9a s ILE 70 N 4.22 1.47 0.03 0.56 1.01 -0.50 -4.97 121.20 123.02 1f9a s ILE 70 Ca 0.32 -0.58 -0.30 0.00 0.00 0.00 0.00 60.65 60.08 1f9a s ILE 70 Cb -0.12 -1.38 -0.05 0.00 0.01 0.00 0.00 42.46 40.91 1f9a s ILE 70 CO 0.19 0.44 1.27 -2.16 0.00 0.00 0.00 174.94 174.68 1f9a s PRO 71 N 1.41 4.37 -0.19 2.79 0.04 -1.26 -0.53 135.00 141.63 1f9a s PRO 71 Ca 0.02 1.83 0.01 0.00 0.04 0.00 0.00 61.00 62.91 1f9a s PRO 71 Cb -0.13 -3.43 0.03 0.00 0.04 0.00 0.00 34.50 31.02 1f9a s PRO 71 CO -0.08 -0.39 -0.14 0.42 0.04 0.00 0.00 177.00 176.85 1f9a s ILE 72 N 1.60 1.82 0.70 0.56 1.01 0.02 -4.85 121.20 122.05 1f9a s ILE 72 Ca 0.60 -0.99 -0.14 0.00 0.00 0.00 0.00 60.65 60.12 1f9a s ILE 72 Cb -0.30 -1.78 0.02 0.00 0.01 0.00 0.00 42.46 40.41 1f9a s ILE 72 CO 0.27 0.31 1.11 -0.54 0.00 0.00 0.00 174.94 176.09 1f9a s LYS 73 N 1.35 2.61 -0.52 2.79 1.02 -1.26 -2.44 119.74 123.28 1f9a s LYS 73 Ca 0.01 1.33 -0.29 0.00 0.02 0.00 0.00 55.97 57.04 1f9a s LYS 73 Cb -0.15 -1.93 0.03 0.00 -0.52 0.00 0.00 37.83 35.26 1f9a s LYS 73 CO -0.10 -1.39 1.21 -0.51 -0.92 0.00 0.00 175.35 173.65 1f9a s ASP 74 N -2.83 6.48 0.10 2.83 1.01 -1.26 -4.72 116.67 118.28 1f9a s ASP 74 Ca 0.65 0.34 -0.01 0.00 0.71 0.00 0.00 52.55 54.24 1f9a s ASP 74 Cb -0.20 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.14 1f9a s ASP 74 CO 0.46 -1.41 0.28 0.27 0.21 0.00 0.00 175.17 174.98 1f9a s ILE 75 N 4.91 5.30 -1.05 0.77 -4.36 -1.26 -5.02 121.20 120.50 1f9a s ILE 75 Ca 0.48 -0.28 -0.04 0.00 -0.26 0.00 0.00 60.65 60.54 1f9a s ILE 75 Cb -0.08 -3.64 0.29 0.00 1.25 0.00 0.00 42.46 40.28 1f9a s ILE 75 CO 0.29 0.07 1.32 -0.62 0.24 0.00 0.00 174.94 176.23 1f9a n GLU 76 N 0.10 4.05 -2.72 0.37 -0.58 -1.26 -4.75 120.64 115.85 1f9a n GLU 76 Ca -0.04 -4.54 -0.07 0.00 -0.42 0.00 0.00 57.16 52.09 1f9a n GLU 76 Cb 0.52 -2.50 0.07 0.00 -0.57 0.00 0.00 31.44 28.96 1f9a n GLU 76 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1f9a n PHE 77 N 1.66 -2.24 0.09 -0.32 -0.00 -1.26 -5.04 117.46 110.35 1f9a n PHE 77 Ca 0.26 -1.43 0.20 0.00 -0.00 0.00 0.00 57.45 56.47 1f9a n PHE 77 Cb 0.35 1.42 0.75 0.00 -0.00 0.00 0.00 39.48 42.00 1f9a n PHE 77 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 1f9a h ASN 78 N 3.43 0.00 -0.59 -2.13 2.35 -2.01 -2.41 115.58 114.23 1f9a h ASN 78 Ca -0.18 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.52 1f9a h ASN 78 Cb 1.11 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.45 1f9a h ASN 78 CO 0.12 0.00 0.19 -1.28 -1.65 0.00 0.00 177.43 174.82 1f9a h SER 79 N 0.00 0.89 -0.43 5.81 0.87 -2.00 -2.74 113.55 115.95 1f9a h SER 79 Ca 0.19 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1f9a h SER 79 Cb 1.04 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 1f9a h SER 79 CO -0.00 0.83 0.00 2.30 -0.53 0.00 0.00 176.83 179.43 1f9a n ILE 80 N -4.28 0.55 -0.03 2.23 -5.35 -0.91 -4.72 119.36 106.85 1f9a n ILE 80 Ca 0.05 -0.77 -0.15 0.00 -0.27 0.00 0.00 62.75 61.61 1f9a n ILE 80 Cb 0.21 0.92 -0.03 0.00 -1.74 0.00 0.00 39.64 39.00 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 4.45 0.98 -0.96 4.28 7.01 -1.41 -1.38 115.95 128.92 1f9a h TRP 81 Ca 0.00 -0.39 -0.00 0.00 2.11 0.00 0.00 58.89 60.60 1f9a h TRP 81 Cb 0.99 -0.17 -0.05 0.00 -2.10 0.00 0.00 29.16 27.83 1f9a h TRP 81 CO 0.28 1.21 0.59 0.28 -2.79 0.00 0.00 178.44 178.01 1f9a h VAL 82 N 0.54 1.26 -0.10 2.65 2.07 -1.85 -0.14 116.25 120.68 1f9a h VAL 82 Ca -0.02 -0.53 0.01 0.00 0.82 0.00 0.00 66.70 66.97 1f9a h VAL 82 Cb 1.28 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1f9a h VAL 82 CO 0.14 0.26 0.04 -1.28 0.02 0.00 0.00 177.57 176.75 1f9a h SER 83 N 1.31 0.06 -0.66 0.57 0.87 -1.76 0.29 113.55 114.23 1f9a h SER 83 Ca 0.34 0.01 0.14 0.00 -1.23 0.00 0.00 61.79 61.05 1f9a h SER 83 Cb -0.08 -0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 61.76 1f9a h SER 83 CO -0.07 0.05 0.03 0.22 -0.53 0.00 0.00 176.83 176.53 1f9a h TYR 84 N 0.09 0.00 -0.58 2.24 3.20 -1.07 -0.30 116.97 120.55 1f9a h TYR 84 Ca 0.04 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.91 1f9a h TYR 84 Cb 0.01 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 1f9a h TYR 84 CO -0.09 -0.17 0.20 0.28 -1.64 0.00 0.00 178.16 176.74 1f9a h VAL 85 N 0.14 1.24 -0.02 1.81 2.07 -0.56 -1.74 116.25 119.18 1f9a h VAL 85 Ca 0.35 -0.79 0.01 0.00 0.82 0.00 0.00 66.70 67.09 1f9a h VAL 85 Cb 0.58 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1f9a h VAL 85 CO -0.55 0.30 0.02 -0.33 0.02 0.00 0.00 177.57 177.02 1f9a h GLU 86 N 0.82 0.00 -0.00 1.57 5.08 -0.26 -2.65 114.58 119.13 1f9a h GLU 86 Ca 0.19 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.40 1f9a h GLU 86 Cb 0.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1f9a h GLU 86 CO -0.01 0.00 -0.70 0.77 -1.00 0.00 0.00 179.01 178.08 1f9a h SER 87 N 0.00 0.03 -0.00 1.42 0.02 -0.12 -3.02 113.55 111.88 1f9a h SER 87 Ca 0.01 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1f9a h SER 87 Cb 0.04 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1f9a h SER 87 CO -0.00 0.71 -0.18 0.18 -1.14 0.00 0.00 176.83 176.40 1f9a n LEU 88 N -3.72 2.32 -4.04 5.07 4.77 -1.02 -4.99 117.00 115.39 1f9a n LEU 88 Ca -0.01 -0.79 -0.16 0.00 -0.03 0.00 0.00 56.01 55.02 1f9a n LEU 88 Cb 0.68 -0.01 -0.13 0.00 -2.33 0.00 0.00 43.42 41.63 1f9a n LEU 88 CO 0.43 0.40 -0.42 0.42 -1.33 0.00 0.00 177.39 176.90 1f9a s THR 89 N -2.20 0.61 0.59 -5.08 -4.23 -1.10 -5.03 115.64 99.20 1f9a s THR 89 Ca 0.26 -0.73 -0.18 0.00 -1.18 0.00 0.00 61.69 59.86 1f9a s THR 89 Cb 0.19 -0.59 -0.08 0.00 1.34 0.00 0.00 72.50 73.36 1f9a s THR 89 CO 0.41 -0.10 0.54 -2.65 -0.54 0.00 0.00 174.62 172.27 1f9a n PRO 90 N 2.14 0.50 -1.69 3.99 -0.02 -1.26 -4.85 135.00 133.80 1f9a n PRO 90 Ca -0.18 0.20 -0.43 0.00 -2.02 0.00 0.00 63.50 61.07 1f9a n PRO 90 Cb 0.56 -1.73 -0.01 0.00 -0.02 0.00 0.00 33.50 32.30 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 -0.15 2.07 -4.19 0.52 -0.02 -1.26 -4.99 135.00 126.97 1f9a n PRO 91 Ca 0.11 0.72 -0.12 0.00 -2.02 0.00 0.00 63.50 62.20 1f9a n PRO 91 Cb 0.48 -2.29 -0.10 0.00 -0.02 0.00 0.00 33.50 31.57 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 -1.09 1.07 0.00 6.00 -0.12 -1.26 -4.68 117.98 117.90 1f9a s PHE 92 Ca 0.56 -1.27 0.00 0.00 -0.05 0.00 0.00 56.93 56.17 1f9a s PHE 92 Cb -0.58 -0.57 0.00 0.00 -0.63 0.00 0.00 43.02 41.24 1f9a s PHE 92 CO 0.62 -0.52 0.00 -0.25 -0.05 0.00 0.00 175.22 175.02 1f9a n ASP 93 N -0.21 3.52 -3.98 1.98 8.00 -0.27 -4.95 116.55 120.63 1f9a n ASP 93 Ca -0.02 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.29 1f9a n ASP 93 Cb 0.65 0.32 -0.15 0.00 -0.02 0.00 0.00 41.12 41.91 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 -1.72 0.67 -0.18 0.53 1.01 -1.11 -4.00 121.20 116.40 1f9a s ILE 94 Ca 0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 60.65 60.31 1f9a s ILE 94 Cb 0.00 -0.60 -0.02 0.00 0.01 0.00 0.00 42.46 41.85 1f9a s ILE 94 CO 0.00 0.21 -0.02 -0.69 0.00 0.00 0.00 174.94 174.44 1f9a s VAL 95 N 0.20 3.82 -0.35 2.92 1.01 -0.24 -1.53 120.40 126.23 1f9a s VAL 95 Ca -0.03 -0.37 -0.14 0.00 0.00 0.00 0.00 61.98 61.45 1f9a s VAL 95 Cb -0.08 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 1f9a s VAL 95 CO 0.00 0.45 0.29 -0.31 0.00 0.00 0.00 175.10 175.54 1f9a s TYR 96 N 0.79 3.22 -0.18 5.22 1.51 -0.37 -0.47 117.35 127.08 1f9a s TYR 96 Ca -0.01 -0.21 -0.28 0.00 -1.01 0.00 0.00 57.07 55.57 1f9a s TYR 96 Cb -0.14 -2.57 0.08 0.00 -0.11 0.00 0.00 41.96 39.22 1f9a s TYR 96 CO 0.02 -0.42 0.76 0.45 -1.11 0.00 0.00 175.55 175.25 1f9a s SER 97 N 1.73 -0.65 0.00 2.29 0.15 0.13 -4.54 113.70 112.81 1f9a s SER 97 Ca 0.08 1.02 0.20 0.00 0.70 0.00 0.00 55.95 57.95 1f9a s SER 97 Cb -0.17 0.96 0.29 0.00 -1.71 0.00 0.00 66.02 65.38 1f9a s SER 97 CO 0.11 -0.38 1.25 0.61 1.20 0.00 0.00 173.24 176.03 1f9a n GLY 98 N 1.80 1.26 3.68 9.45 0.00 -1.26 -4.07 105.19 116.05 1f9a n GLY 98 Ca -0.15 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.47 7.22 0.20 1.61 2.47 -1.26 -4.95 114.94 118.76 1f9a s ASN 99 Ca 0.30 1.51 -0.10 0.00 0.42 0.00 0.00 52.86 54.99 1f9a s ASN 99 Cb 0.19 -2.55 0.20 0.00 -1.45 0.00 0.00 41.25 37.63 1f9a s ASN 99 CO 0.27 -0.48 1.82 -0.65 -3.72 0.00 0.00 177.10 174.34 1f9a h PRO 100 N 7.15 0.72 0.06 0.43 0.11 -1.99 -0.85 132.00 137.63 1f9a h PRO 100 Ca -0.29 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.77 1f9a h PRO 100 Cb 1.13 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1f9a h PRO 100 CO 0.87 0.47 -0.03 1.25 -0.21 0.00 0.00 178.00 180.36 1f9a h LEU 101 N 0.74 -0.07 -1.10 2.35 5.85 -2.00 -1.86 115.31 119.22 1f9a h LEU 101 Ca 0.28 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.99 1f9a h LEU 101 Cb 0.10 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1f9a h LEU 101 CO -0.14 -0.04 0.50 0.58 -0.34 0.00 0.00 178.44 179.01 1f9a h VAL 102 N -0.09 1.23 -0.36 1.05 2.07 -1.86 -1.65 116.25 116.64 1f9a h VAL 102 Ca -0.01 -0.49 -0.06 0.00 0.82 0.00 0.00 66.70 66.96 1f9a h VAL 102 Cb 0.07 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 1f9a h VAL 102 CO 0.01 0.24 -0.01 -0.09 0.02 0.00 0.00 177.57 177.74 1f9a h ARG 103 N 1.14 0.64 0.26 1.57 2.43 -1.13 -2.20 114.38 117.10 1f9a h ARG 103 Ca 0.30 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1f9a h ARG 103 Cb -0.06 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 1f9a h ARG 103 CO -0.06 0.76 -0.13 0.28 -1.51 0.00 0.00 179.97 179.32 1f9a h VAL 104 N 0.45 0.78 -0.31 0.20 2.07 -0.99 -1.86 116.25 116.59 1f9a h VAL 104 Ca 0.10 -0.29 0.04 0.00 0.82 0.00 0.00 66.70 67.38 1f9a h VAL 104 Cb 0.48 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 1f9a h VAL 104 CO 0.02 0.06 0.07 -0.07 0.02 0.00 0.00 177.57 177.68 1f9a h LEU 105 N -0.50 0.04 -0.71 2.57 3.38 -1.24 -1.59 115.31 117.26 1f9a h LEU 105 Ca -0.04 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1f9a h LEU 105 Cb 0.37 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1f9a h LEU 105 CO 0.06 0.06 0.42 -0.26 0.09 0.00 0.00 178.44 178.81 1f9a h PHE 106 N 0.19 0.95 0.00 1.13 0.05 -1.39 -3.04 116.94 114.83 1f9a h PHE 106 Ca 0.14 -0.01 -0.08 0.00 3.82 0.00 0.00 57.97 61.85 1f9a h PHE 106 Cb 0.15 -0.31 -0.01 0.00 2.00 0.00 0.00 35.95 37.78 1f9a h PHE 106 CO -0.16 0.64 -0.38 0.93 -0.18 0.00 0.00 178.31 179.16 1f9a h GLU 107 N 0.97 0.00 0.00 1.51 5.08 -1.04 -1.42 114.58 119.69 1f9a h GLU 107 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1f9a h GLU 107 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1f9a h GLU 107 CO -0.05 0.38 0.00 0.93 -1.00 0.00 0.00 179.01 179.27 1f9a h GLU 108 N 0.00 0.00 -0.63 2.33 5.08 -1.24 0.33 114.58 120.45 1f9a h GLU 108 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1f9a h GLU 108 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1f9a h GLU 108 CO 0.05 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.60 1f9a n ARG 109 N -2.94 3.18 -0.21 2.33 5.12 -0.61 -4.94 116.66 118.58 1f9a n ARG 109 Ca 0.03 -2.69 0.00 0.00 -1.93 0.00 0.00 57.85 53.27 1f9a n ARG 109 Cb 0.44 -1.67 0.00 0.00 -1.16 0.00 0.00 32.46 30.07 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 1.19 0.70 3.88 -0.13 0.00 0.12 -5.07 105.19 105.88 1f9a n GLY 110 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.28 3.44 0.03 1.61 1.51 -0.75 -4.99 117.35 115.91 1f9a s TYR 111 Ca 0.00 0.91 -0.22 0.00 -1.01 0.00 0.00 57.07 56.75 1f9a s TYR 111 Cb 0.00 -2.31 -0.06 0.00 -0.11 0.00 0.00 41.96 39.48 1f9a s TYR 111 CO 0.00 0.12 0.67 -2.00 -1.11 0.00 0.00 175.55 173.23 1f9a s GLU 112 N -3.29 4.39 -0.11 -0.62 2.12 -1.26 -4.16 118.70 115.78 1f9a s GLU 112 Ca 0.49 0.89 0.02 0.00 0.36 0.00 0.00 54.97 56.73 1f9a s GLU 112 Cb -0.11 -3.34 0.01 0.00 0.26 0.00 0.00 34.13 30.96 1f9a s GLU 112 CO 0.25 0.37 -0.18 0.08 -0.54 0.00 0.00 175.26 175.25 1f9a s VAL 113 N -0.29 1.68 0.10 3.70 1.01 -1.26 -1.08 120.40 124.27 1f9a s VAL 113 Ca 0.34 -0.77 0.09 0.00 0.00 0.00 0.00 61.98 61.65 1f9a s VAL 113 Cb -0.20 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1f9a s VAL 113 CO 0.20 0.48 -0.24 -0.54 0.00 0.00 0.00 175.10 175.00 1f9a s LYS 114 N 0.81 1.31 0.09 2.72 1.02 0.38 -4.95 119.74 121.11 1f9a s LYS 114 Ca -0.10 -1.20 -0.31 0.00 0.02 0.00 0.00 55.97 54.38 1f9a s LYS 114 Cb -0.16 -1.64 -0.07 0.00 -0.52 0.00 0.00 37.83 35.45 1f9a s LYS 114 CO 0.01 0.39 1.26 1.03 -0.92 0.00 0.00 175.35 177.12 1f9a s ARG 115 N -1.83 4.40 0.48 1.68 0.52 -1.26 0.20 118.95 123.14 1f9a s ARG 115 Ca 0.10 1.88 -0.20 0.00 -0.52 0.00 0.00 55.73 56.99 1f9a s ARG 115 Cb -0.10 -3.30 -0.09 0.00 0.52 0.00 0.00 34.95 31.98 1f9a s ARG 115 CO 0.04 -0.31 1.01 -1.25 0.02 0.00 0.00 175.30 174.81 1f9a s PRO 116 N 0.97 3.92 0.38 3.54 0.04 -1.26 -4.87 135.00 137.72 1f9a s PRO 116 Ca 0.60 1.23 -0.27 0.00 0.04 0.00 0.00 61.00 62.60 1f9a s PRO 116 Cb -0.32 -2.12 -0.10 0.00 0.04 0.00 0.00 34.50 32.00 1f9a s PRO 116 CO 0.30 -0.31 1.41 -1.21 0.04 0.00 0.00 177.00 177.22 1f9a s GLU 117 N -3.36 4.07 0.16 4.56 2.02 -1.26 -4.97 118.70 119.92 1f9a s GLU 117 Ca 0.64 2.40 -0.23 0.00 0.02 0.00 0.00 54.97 57.80 1f9a s GLU 117 Cb -0.13 -2.91 -0.08 0.00 0.10 0.00 0.00 34.13 31.11 1f9a s GLU 117 CO 0.20 -0.50 0.73 -1.64 0.02 0.00 0.00 175.26 174.07 1f9a s MET 118 N -2.11 4.44 -0.22 1.61 -1.94 -1.26 -4.75 119.30 115.08 1f9a s MET 118 Ca 0.54 1.03 0.02 0.00 -1.71 0.00 0.00 55.69 55.56 1f9a s MET 118 Cb -0.43 -3.19 0.04 0.00 2.01 0.00 0.00 34.83 33.26 1f9a s MET 118 CO 0.57 0.55 -0.13 -0.06 -0.01 0.00 0.00 175.02 175.95 1f9a s PHE 119 N -1.21 2.91 -1.26 -0.03 0.40 -1.26 -4.90 117.98 112.63 1f9a s PHE 119 Ca 0.36 -1.95 -0.03 0.00 -0.60 0.00 0.00 56.93 54.71 1f9a s PHE 119 Cb -0.21 -1.85 0.01 0.00 0.51 0.00 0.00 43.02 41.47 1f9a s PHE 119 CO 0.24 -0.83 1.01 -1.71 0.70 0.00 0.00 175.22 174.63 1f9a n ASN 120 N 4.55 -3.05 0.30 1.36 5.15 -1.26 -4.60 115.26 117.71 1f9a n ASN 120 Ca -0.16 -0.63 0.18 0.00 -0.60 0.00 0.00 54.58 53.37 1f9a n ASN 120 Cb 0.45 -4.95 0.94 0.00 -0.53 0.00 0.00 39.78 35.69 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 -2.09 0.00 0.00 1.20 3.08 -1.91 0.19 114.38 114.85 1f9a h ARG 121 Ca -0.59 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.46 1f9a h ARG 121 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.40 1f9a h ARG 121 CO 0.53 0.03 0.00 1.57 -1.07 0.00 0.00 179.97 181.03 1f9a h LYS 122 N 0.00 0.00 0.00 0.04 2.10 -2.02 -3.27 116.57 113.43 1f9a h LYS 122 Ca -0.00 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.38 1f9a h LYS 122 Cb 0.20 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.49 1f9a h LYS 122 CO 0.00 0.00 -1.99 0.39 -2.00 0.00 0.00 179.45 175.86 1f9a n GLU 123 N -2.57 0.41 -2.63 0.07 1.02 -0.44 -4.87 120.64 111.64 1f9a n GLU 123 Ca 0.03 0.12 -0.42 0.00 -0.02 0.00 0.00 57.16 56.87 1f9a n GLU 123 Cb 0.35 -1.28 -0.02 0.00 -0.02 0.00 0.00 31.44 30.47 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 -2.34 2.69 -0.20 -0.32 4.12 0.55 -4.57 117.35 117.27 1f9a s TYR 124 Ca -0.24 -1.09 -0.13 0.00 0.02 0.00 0.00 57.07 55.63 1f9a s TYR 124 Cb 0.07 -4.64 0.06 0.00 -1.52 0.00 0.00 41.96 35.94 1f9a s TYR 124 CO 0.37 -1.84 0.51 -1.54 0.02 0.00 0.00 175.55 173.07 1f9a s SER 125 N 4.60 -0.63 0.16 2.29 1.04 -1.26 -4.50 113.70 115.38 1f9a s SER 125 Ca 0.45 1.09 -0.16 0.00 0.48 0.00 0.00 55.95 57.81 1f9a s SER 125 Cb -0.00 1.01 0.07 0.00 0.10 0.00 0.00 66.02 67.20 1f9a s SER 125 CO -0.07 -0.20 1.72 1.23 0.98 0.00 0.00 173.24 176.90 1f9a h GLY 126 N 6.62 0.40 0.63 7.32 0.00 -1.85 0.12 103.07 116.32 1f9a h GLY 126 Ca -0.33 -0.01 0.09 0.00 0.00 0.00 0.00 47.33 47.08 1f9a h GLY 126 CO 0.23 -0.04 0.63 -0.84 0.00 0.00 0.00 176.54 176.53 1f9a h THR 127 N 0.17 1.02 0.09 4.70 2.02 -1.96 0.33 112.91 119.28 1f9a h THR 127 Ca 0.17 -0.38 -0.29 0.00 0.77 0.00 0.00 66.41 66.69 1f9a h THR 127 Cb 0.20 -0.17 0.02 0.00 -1.74 0.00 0.00 68.15 66.47 1f9a h THR 127 CO -0.23 0.20 -1.19 -0.08 0.37 0.00 0.00 175.52 174.58 1f9a h GLU 128 N 1.09 0.60 -0.94 6.66 4.57 -1.54 -2.57 114.58 122.47 1f9a h GLU 128 Ca 0.45 -0.78 0.01 0.00 -1.18 0.00 0.00 59.36 57.87 1f9a h GLU 128 Cb 0.29 0.25 -0.05 0.00 -0.16 0.00 0.00 28.75 29.08 1f9a h GLU 128 CO -0.21 1.34 0.61 0.82 -1.18 0.00 0.00 179.01 180.40 1f9a h ILE 129 N 0.28 1.24 -0.51 2.32 2.04 -0.04 -1.92 117.51 120.93 1f9a h ILE 129 Ca -0.17 -0.45 -0.06 0.00 1.00 0.00 0.00 64.86 65.18 1f9a h ILE 129 Cb 1.86 -0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 1f9a h ILE 129 CO 0.23 0.24 0.09 0.03 0.00 0.00 0.00 178.15 178.74 1f9a h ARG 130 N 1.28 0.84 -0.60 2.37 3.08 -0.99 0.10 114.38 120.47 1f9a h ARG 130 Ca 0.34 -0.22 0.03 0.00 0.07 0.00 0.00 59.98 60.20 1f9a h ARG 130 Cb -0.13 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 29.78 1f9a h ARG 130 CO -0.07 0.83 0.37 -0.09 -1.07 0.00 0.00 179.97 179.93 1f9a h ARG 131 N 0.72 0.70 -0.44 0.04 2.43 -0.93 -1.54 114.38 115.36 1f9a h ARG 131 Ca 0.16 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.19 1f9a h ARG 131 Cb 0.39 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1f9a h ARG 131 CO 0.01 0.47 -0.09 0.00 -1.51 0.00 0.00 179.97 178.85 1f9a h ARG 132 N 0.73 0.84 -0.57 0.20 3.08 -0.89 -1.78 114.38 115.99 1f9a h ARG 132 Ca 0.24 -0.31 0.01 0.00 0.07 0.00 0.00 59.98 59.99 1f9a h ARG 132 Cb 0.02 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 1f9a h ARG 132 CO -0.10 0.94 0.37 0.52 -1.07 0.00 0.00 179.97 180.63 1f9a h MET 133 N 0.67 0.73 -0.67 0.04 2.86 -0.30 -1.01 114.93 117.25 1f9a h MET 133 Ca 0.11 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1f9a h MET 133 Cb 0.62 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 1f9a h MET 133 CO 0.04 0.48 0.39 -0.07 1.06 0.00 0.00 176.91 178.81 1f9a h LEU 134 N 0.75 0.82 -2.63 1.22 3.38 -1.04 -3.30 115.31 114.50 1f9a h LEU 134 Ca 0.21 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1f9a h LEU 134 Cb -0.06 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.49 1f9a h LEU 134 CO -0.06 0.66 0.00 -0.46 0.09 0.00 0.00 178.44 178.67 1f9a n ASN 135 N -4.54 3.84 0.00 -0.43 0.23 -0.49 -4.96 115.26 108.90 1f9a n ASN 135 Ca 0.05 -2.02 0.00 0.00 -0.53 0.00 0.00 54.58 52.08 1f9a n ASN 135 Cb 0.07 -0.48 0.00 0.00 -2.08 0.00 0.00 39.78 37.29 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 1.61 0.75 3.75 4.83 0.00 -0.56 -5.07 105.19 110.50 1f9a n GLY 136 Ca 0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.12 2.11 -0.17 1.61 2.02 -1.17 -5.00 118.70 118.00 1f9a s GLU 137 Ca 0.00 1.25 -0.29 0.00 0.02 0.00 0.00 54.97 55.95 1f9a s GLU 137 Cb 0.00 -1.87 -0.01 0.00 0.10 0.00 0.00 34.13 32.34 1f9a s GLU 137 CO 0.00 -1.76 1.23 0.21 0.02 0.00 0.00 175.26 174.96 1f9a s LYS 138 N -4.78 4.24 0.00 1.61 2.20 -1.26 -4.55 119.74 117.20 1f9a s LYS 138 Ca 0.63 1.62 0.00 0.00 -0.36 0.00 0.00 55.97 57.86 1f9a s LYS 138 Cb -0.18 -3.74 0.00 0.00 -1.51 0.00 0.00 37.83 32.40 1f9a s LYS 138 CO 0.55 -0.68 0.00 -2.67 -0.36 0.00 0.00 175.35 172.19 1f9a n TRP 139 N 6.49 0.00 0.29 4.03 4.27 -1.26 -4.78 117.44 126.47 1f9a n TRP 139 Ca 0.13 0.00 0.15 0.00 -3.89 0.00 0.00 57.50 53.90 1f9a n TRP 139 Cb 0.45 0.00 0.87 0.00 -1.36 0.00 0.00 31.31 31.27 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 0.00 0.00 0.00 -2.67 3.07 -1.94 0.19 114.58 113.24 1f9a h GLU 140 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1f9a h GLU 140 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1f9a h GLU 140 CO 0.00 0.05 0.00 -2.39 -1.40 0.00 0.00 179.01 175.27 1f9a n HIS 141 N -3.58 0.11 1.35 4.33 1.44 -1.26 -3.54 115.22 114.06 1f9a n HIS 141 Ca -0.02 0.03 0.13 0.00 -2.01 0.00 0.00 57.72 55.86 1f9a n HIS 141 Cb 0.16 -0.56 0.46 0.00 0.12 0.00 0.00 29.99 30.18 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 -1.59 1.06 -4.28 2.39 4.77 0.68 -4.91 117.00 115.11 1f9a n LEU 142 Ca 0.06 -0.28 -0.15 0.00 -0.03 0.00 0.00 56.01 55.60 1f9a n LEU 142 Cb 0.31 -0.09 -0.10 0.00 -2.33 0.00 0.00 43.42 41.20 1f9a n LEU 142 CO 0.24 0.19 -0.37 0.68 -1.33 0.00 0.00 177.39 176.80 1f9a s VAL 143 N -2.35 1.09 0.57 4.08 -7.23 -1.23 -1.87 120.40 113.45 1f9a s VAL 143 Ca 0.29 -2.05 -0.19 0.00 -1.81 0.00 0.00 61.98 58.23 1f9a s VAL 143 Cb 0.20 -2.07 -0.07 0.00 0.56 0.00 0.00 36.38 34.99 1f9a s VAL 143 CO 0.46 -0.55 0.73 -2.65 -0.31 0.00 0.00 175.10 172.78 1f9a n PRO 144 N -0.29 0.71 0.05 4.82 -0.02 -1.26 -4.83 135.00 134.18 1f9a n PRO 144 Ca -0.08 0.27 0.01 0.00 -2.02 0.00 0.00 63.50 61.68 1f9a n PRO 144 Cb 0.62 -1.90 0.33 0.00 -0.02 0.00 0.00 33.50 32.53 1f9a n PRO 144 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1f9a h LYS 145 N 0.42 0.40 -0.49 -0.52 1.79 -1.99 -0.52 116.57 115.66 1f9a h LYS 145 Ca -0.46 -0.09 0.06 0.00 -2.18 0.00 0.00 60.65 57.98 1f9a h LYS 145 Cb 1.38 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.95 1f9a h LYS 145 CO 0.49 0.48 0.33 0.00 -1.08 0.00 0.00 179.45 179.67 1f9a h ALA 146 N 1.56 1.92 0.34 3.86 0.00 -1.89 -1.84 119.26 123.20 1f9a h ALA 146 Ca 0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1f9a h ALA 146 Cb 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1f9a h ALA 146 CO 0.02 -0.01 -0.16 0.28 0.00 0.00 0.00 179.25 179.38 1f9a h VAL 147 N 0.42 0.61 -0.65 0.00 2.07 -1.37 -1.71 116.25 115.63 1f9a h VAL 147 Ca 0.21 -0.62 0.10 0.00 0.82 0.00 0.00 66.70 67.21 1f9a h VAL 147 Cb 0.31 0.90 -0.11 0.00 -1.52 0.00 0.00 31.29 30.86 1f9a h VAL 147 CO -0.05 0.11 -0.42 0.58 0.02 0.00 0.00 177.57 177.80 1f9a h VAL 148 N -0.83 0.09 -0.94 2.57 2.07 -1.44 0.86 116.25 118.62 1f9a h VAL 148 Ca -0.05 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.69 1f9a h VAL 148 Cb 0.52 0.09 -0.12 0.00 -1.52 0.00 0.00 31.29 30.26 1f9a h VAL 148 CO 0.08 0.00 0.50 0.44 0.02 0.00 0.00 177.57 178.60 1f9a h ASP 149 N -0.18 0.53 -0.16 0.57 5.19 -1.23 -0.58 116.42 120.57 1f9a h ASP 149 Ca 0.21 0.14 -0.10 0.00 -0.62 0.00 0.00 57.03 56.66 1f9a h ASP 149 Cb 0.56 0.06 -0.00 0.00 0.18 0.00 0.00 39.33 40.13 1f9a h ASP 149 CO -0.73 0.09 -0.27 0.58 -3.12 0.00 0.00 179.24 175.79 1f9a h VAL 150 N 0.53 1.35 -0.84 -1.35 2.07 -0.56 -1.55 116.25 115.90 1f9a h VAL 150 Ca 0.59 -1.50 0.14 0.00 0.82 0.00 0.00 66.70 66.75 1f9a h VAL 150 Cb 1.07 1.93 -0.09 0.00 -1.52 0.00 0.00 31.29 32.67 1f9a h VAL 150 CO -0.48 0.45 0.43 0.40 0.02 0.00 0.00 177.57 178.40 1f9a h ILE 151 N 0.11 0.74 -0.10 4.57 2.04 -0.55 -1.14 117.51 123.17 1f9a h ILE 151 Ca 0.01 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 1f9a h ILE 151 Cb 0.85 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1f9a h ILE 151 CO 0.06 0.11 0.01 0.11 0.00 0.00 0.00 178.15 178.45 1f9a h LYS 152 N 0.63 0.17 -0.55 2.37 1.57 -0.93 -0.67 116.57 119.16 1f9a h LYS 152 Ca 0.46 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 59.25 1f9a h LYS 152 Cb 0.63 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 1f9a h LYS 152 CO -0.35 0.39 0.37 1.49 -0.57 0.00 0.00 179.45 180.77 1f9a h GLU 153 N -0.07 0.50 -0.35 3.15 4.81 -0.20 -2.35 114.58 120.06 1f9a h GLU 153 Ca 0.03 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1f9a h GLU 153 Cb 0.30 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1f9a h GLU 153 CO 0.00 0.33 0.00 0.44 -0.73 0.00 0.00 179.01 179.05 1f9a n ILE 154 N -4.47 0.56 -3.68 2.32 -5.35 -0.60 -4.95 119.36 103.18 1f9a n ILE 154 Ca 0.08 -0.78 -0.21 0.00 -0.27 0.00 0.00 62.75 61.57 1f9a n ILE 154 Cb 0.24 0.90 0.04 0.00 -1.74 0.00 0.00 39.64 39.08 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 1.21 -5.09 0.02 6.28 5.02 -0.63 -4.89 118.16 120.09 1f9a n LYS 155 Ca 0.17 0.64 -0.07 0.00 -2.02 0.00 0.00 58.31 57.03 1f9a n LYS 155 Cb 0.53 -5.25 0.11 0.00 -0.02 0.00 0.00 35.03 30.40 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 -1.88 0.51 1.29 0.72 0.00 -1.45 -1.89 103.07 100.37 1f9a h GLY 156 Ca -0.61 -0.55 -0.15 0.00 0.00 0.00 0.00 47.33 46.01 1f9a h GLY 156 CO 0.56 0.50 -0.43 -2.08 0.00 0.00 0.00 176.54 175.09 1f9a h VAL 157 N 0.37 1.29 0.01 4.60 2.07 -1.91 -1.14 116.25 121.54 1f9a h VAL 157 Ca 0.02 -1.61 -0.00 0.00 0.82 0.00 0.00 66.70 65.93 1f9a h VAL 157 Cb 0.99 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1f9a h VAL 157 CO 0.09 0.52 -0.01 -0.33 0.02 0.00 0.00 177.57 177.87 1f9a h GLU 158 N 0.63 -0.01 -0.54 1.57 5.08 -1.87 -0.90 114.58 118.53 1f9a h GLU 158 Ca 0.04 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1f9a h GLU 158 Cb 0.99 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.18 1f9a h GLU 158 CO 0.09 0.19 -0.32 -2.13 -1.00 0.00 0.00 179.01 175.84 1f9a n ARG 159 N -5.00 -0.24 -0.22 2.33 0.63 -0.74 -1.56 116.66 111.86 1f9a n ARG 159 Ca -0.08 1.23 0.01 0.00 -0.92 0.00 0.00 57.85 58.10 1f9a n ARG 159 Cb 0.12 -1.83 0.13 0.00 0.45 0.00 0.00 32.46 31.33 1f9a n ARG 159 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1f9a h LEU 160 N 0.00 0.30 -0.86 6.15 5.85 -0.79 -0.97 115.31 124.99 1f9a h LEU 160 Ca 0.09 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1f9a h LEU 160 Cb 0.22 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 1f9a h LEU 160 CO -0.51 0.17 0.46 0.03 -0.34 0.00 0.00 178.44 178.25 1f9a h ARG 161 N 0.47 1.21 -0.30 1.25 3.08 -1.09 -1.86 114.38 117.14 1f9a h ARG 161 Ca 0.34 -0.15 -0.12 0.00 0.07 0.00 0.00 59.98 60.12 1f9a h ARG 161 Cb 0.41 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1f9a h ARG 161 CO -0.31 0.90 -0.30 0.87 -1.07 0.00 0.00 179.97 180.06 1f9a h LYS 162 N 1.21 0.62 -0.06 0.04 1.57 -0.89 -2.79 116.57 116.27 1f9a h LYS 162 Ca 0.30 -0.27 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1f9a h LYS 162 Cb 0.06 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 1f9a h LYS 162 CO -0.05 0.85 0.03 -0.07 -0.57 0.00 0.00 179.45 179.64 1f9a h LEU 163 N 0.53 0.07 -0.57 2.94 3.38 -0.58 -3.52 115.31 117.56 1f9a h LEU 163 Ca 0.07 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1f9a h LEU 163 Cb 0.78 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1f9a h LEU 163 CO 0.06 0.06 0.00 0.00 0.09 0.00 0.00 178.44 178.65