#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 2.00 0.29 3.23 0.52 -1.26 -2.42 118.95 121.31 1f9a s ARG 2 Ca 0.00 -0.65 0.02 0.00 -0.52 0.00 0.00 55.73 54.57 1f9a s ARG 2 Cb 0.00 -1.69 -0.03 0.00 0.52 0.00 0.00 34.95 33.75 1f9a s ARG 2 CO 0.00 0.23 0.47 0.20 0.02 0.00 0.00 175.30 176.22 1f9a s GLY 3 N 0.11 1.36 -0.06 -3.53 0.00 0.21 -0.78 107.32 104.63 1f9a s GLY 3 Ca -0.06 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 43.66 1f9a s GLY 3 CO 0.03 -0.96 -0.05 -0.12 0.00 0.00 0.00 173.10 172.00 1f9a s PHE 4 N -2.15 0.91 0.15 1.90 5.36 -0.11 -0.16 117.98 123.87 1f9a s PHE 4 Ca 0.38 -0.31 0.09 0.00 -0.96 0.00 0.00 56.93 56.13 1f9a s PHE 4 Cb -0.10 -0.83 -0.04 0.00 -0.34 0.00 0.00 43.02 41.72 1f9a s PHE 4 CO 0.33 -0.28 -0.20 -1.50 -1.46 0.00 0.00 175.22 172.11 1f9a s ILE 5 N 1.26 1.85 -0.01 3.12 2.07 -0.78 -0.90 121.20 127.81 1f9a s ILE 5 Ca -0.05 -1.80 0.00 0.00 -1.41 0.00 0.00 60.65 57.39 1f9a s ILE 5 Cb -0.14 -1.79 0.01 0.00 0.13 0.00 0.00 42.46 40.68 1f9a s ILE 5 CO -0.02 -0.20 0.00 -0.51 -1.91 0.00 0.00 174.94 172.30 1f9a s ILE 6 N -1.69 0.06 0.34 2.00 2.07 -1.26 0.31 121.20 123.03 1f9a s ILE 6 Ca 0.13 0.06 -0.06 0.00 -1.41 0.00 0.00 60.65 59.38 1f9a s ILE 6 Cb -0.07 -0.12 0.02 0.00 0.13 0.00 0.00 42.46 42.42 1f9a s ILE 6 CO 0.06 0.07 0.54 0.61 -1.91 0.00 0.00 174.94 174.31 1f9a n GLY 7 N 3.62 1.81 0.09 1.50 0.00 -0.99 -4.97 105.19 106.25 1f9a n GLY 7 Ca -0.20 -1.48 -0.09 0.00 0.00 0.00 0.00 46.02 44.25 1f9a n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f9a n ARG 8 N -0.52 0.67 -3.35 1.61 1.74 -1.26 -0.33 116.66 115.22 1f9a n ARG 8 Ca -0.02 0.08 -0.19 0.00 -0.77 0.00 0.00 57.85 56.96 1f9a n ARG 8 Cb 0.55 -1.60 0.06 0.00 -1.02 0.00 0.00 32.46 30.45 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 -2.84 -2.34 -3.62 -1.55 3.01 -1.26 -4.76 117.46 104.10 1f9a n PHE 9 Ca -0.28 0.78 -0.27 0.00 1.01 0.00 0.00 57.45 58.69 1f9a n PHE 9 Cb 1.12 -4.02 -0.10 0.00 -0.01 0.00 0.00 39.48 36.48 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 -3.46 1.50 -3.93 -1.08 3.00 -1.26 -3.14 117.38 109.01 1f9a n GLN 10 Ca -0.08 -4.11 -0.23 0.00 -0.01 0.00 0.00 57.00 52.57 1f9a n GLN 10 Cb 0.62 -2.04 -0.05 0.00 0.00 0.00 0.00 30.24 28.76 1f9a n GLN 10 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1f9a s PRO 11 N -1.31 2.43 0.18 -1.09 0.04 -1.26 -4.67 135.00 129.32 1f9a s PRO 11 Ca 0.31 -1.57 -0.30 0.00 0.04 0.00 0.00 61.00 59.47 1f9a s PRO 11 Cb 0.04 -2.23 -0.17 0.00 0.04 0.00 0.00 34.50 32.18 1f9a s PRO 11 CO -0.14 -0.02 0.77 0.34 0.04 0.00 0.00 177.00 178.00 1f9a n PHE 12 N -1.30 0.22 -4.24 0.56 7.35 -1.19 -4.74 117.46 114.12 1f9a n PHE 12 Ca -0.01 0.90 -0.14 0.00 -0.76 0.00 0.00 57.45 57.44 1f9a n PHE 12 Cb 0.62 -2.07 -0.10 0.00 0.35 0.00 0.00 39.48 38.28 1f9a n PHE 12 CO 0.00 0.00 0.00 -3.38 -0.76 0.00 0.00 176.76 172.62 1f9a s HIS 13 N -0.75 1.30 0.59 -5.13 -3.43 -1.26 -4.67 115.29 101.94 1f9a s HIS 13 Ca 0.68 -1.35 0.29 0.00 -0.80 0.00 0.00 55.06 53.88 1f9a s HIS 13 Cb -0.93 -0.66 1.48 0.00 -1.43 0.00 0.00 32.58 31.04 1f9a s HIS 13 CO 0.56 -0.58 1.89 0.87 -2.00 0.00 0.00 174.74 175.49 1f9a h LYS 14 N 2.52 0.00 0.01 -0.38 1.57 -1.57 -2.14 116.57 116.58 1f9a h LYS 14 Ca -0.36 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.37 1f9a h LYS 14 Cb 1.25 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.56 1f9a h LYS 14 CO 0.54 0.00 -0.23 0.78 -0.57 0.00 0.00 179.45 179.97 1f9a h GLY 15 N 0.00 0.15 -0.98 3.86 0.00 -1.85 -1.92 103.07 102.33 1f9a h GLY 15 Ca 0.20 -0.28 0.13 0.00 0.00 0.00 0.00 47.33 47.38 1f9a h GLY 15 CO -0.00 0.25 -0.44 1.42 0.00 0.00 0.00 176.54 177.77 1f9a n HIS 16 N -4.52 -0.11 0.02 5.60 8.25 -1.19 -0.42 115.22 122.86 1f9a n HIS 16 Ca -0.10 1.22 -0.10 0.00 -0.26 0.00 0.00 57.72 58.48 1f9a n HIS 16 Cb 0.51 -0.78 -0.04 0.00 1.12 0.00 0.00 29.99 30.81 1f9a n HIS 16 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1f9a h LEU 17 N 0.00 -0.61 -0.14 2.41 6.46 -1.28 -1.21 115.31 120.95 1f9a h LEU 17 Ca 0.29 0.10 0.04 0.00 -0.12 0.00 0.00 57.88 58.18 1f9a h LEU 17 Cb 0.53 0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 40.69 1f9a h LEU 17 CO -0.96 -0.26 -0.09 -0.33 -0.62 0.00 0.00 178.44 176.18 1f9a h GLU 18 N -0.28 -0.10 -0.79 1.25 4.39 -1.17 -0.60 114.58 117.29 1f9a h GLU 18 Ca 0.08 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.82 1f9a h GLU 18 Cb 0.40 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.03 1f9a h GLU 18 CO -0.24 -0.06 0.52 -0.24 -1.16 0.00 0.00 179.01 177.82 1f9a h VAL 19 N -0.10 1.13 -0.11 3.13 3.04 -0.48 -1.49 116.25 121.37 1f9a h VAL 19 Ca 0.08 -0.33 -0.03 0.00 -1.01 0.00 0.00 66.70 65.41 1f9a h VAL 19 Cb 0.22 0.07 -0.00 0.00 -2.01 0.00 0.00 31.29 29.57 1f9a h VAL 19 CO -0.20 0.18 -0.06 0.40 -1.01 0.00 0.00 177.57 176.88 1f9a h ILE 20 N 0.97 1.32 -0.85 3.17 2.04 -1.02 0.27 117.51 123.42 1f9a h ILE 20 Ca 0.31 -1.11 0.17 0.00 1.00 0.00 0.00 64.86 65.24 1f9a h ILE 20 Cb 0.04 1.82 -0.10 0.00 -0.74 0.00 0.00 36.82 37.84 1f9a h ILE 20 CO -0.09 0.32 0.41 0.11 0.00 0.00 0.00 178.15 178.89 1f9a h LYS 21 N -0.12 0.52 -0.35 2.37 1.57 -0.98 0.13 116.57 119.70 1f9a h LYS 21 Ca 0.02 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 1f9a h LYS 21 Cb 0.53 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1f9a h LYS 21 CO 0.02 0.34 -0.29 -0.22 -0.57 0.00 0.00 179.45 178.73 1f9a h LYS 22 N 0.53 0.75 -0.04 3.15 1.63 -0.94 -2.63 116.57 119.02 1f9a h LYS 22 Ca 0.49 -0.33 -0.00 0.00 -0.85 0.00 0.00 60.65 59.96 1f9a h LYS 22 Cb 0.77 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.38 1f9a h LYS 22 CO -0.42 0.94 0.02 0.82 -3.45 0.00 0.00 179.45 177.37 1f9a h ILE 23 N 0.64 1.09 0.00 2.00 2.04 0.63 -2.72 117.51 121.19 1f9a h ILE 23 Ca 0.08 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1f9a h ILE 23 Cb 0.81 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 1f9a h ILE 23 CO 0.07 0.07 0.03 0.00 0.00 0.00 0.00 178.15 178.33 1f9a n ALA 24 N -2.16 0.93 0.69 1.87 0.00 -0.13 0.11 120.51 121.83 1f9a n ALA 24 Ca -0.07 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.44 1f9a n ALA 24 Cb 0.08 -0.94 0.18 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.48 2.00 0.00 0.00 1.02 -1.03 -3.95 120.64 117.21 1f9a n GLU 25 Ca -0.00 -1.44 0.00 0.00 -0.02 0.00 0.00 57.16 55.70 1f9a n GLU 25 Cb 0.03 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 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 0.63 0.43 -3.79 3.49 1.02 0.31 -5.09 120.64 117.64 1f9a n GLU 26 Ca 0.13 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.15 1f9a n GLU 26 Cb 0.36 -0.97 -0.09 0.00 -0.02 0.00 0.00 31.44 30.72 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 -1.89 0.07 0.10 2.62 0.11 -1.20 -5.01 120.40 115.20 1f9a s VAL 27 Ca 0.00 -0.59 -0.13 0.00 -2.93 0.00 0.00 61.98 58.33 1f9a s VAL 27 Cb 0.00 -0.64 -0.16 0.00 -1.53 0.00 0.00 36.38 34.04 1f9a s VAL 27 CO 0.00 -0.32 1.30 0.44 -3.33 0.00 0.00 175.10 173.18 1f9a h ASP 28 N 3.83 0.95 -4.73 3.54 3.32 -1.77 -3.42 116.42 118.15 1f9a h ASP 28 Ca -0.30 -0.64 -0.22 0.00 0.02 0.00 0.00 57.03 55.90 1f9a h ASP 28 Cb 1.18 -0.28 -0.22 0.00 0.22 0.00 0.00 39.33 40.23 1f9a h ASP 28 CO 0.42 1.44 -0.72 -1.61 -1.72 0.00 0.00 179.24 177.05 1f9a s GLU 29 N -3.72 0.35 -0.10 3.56 2.02 -1.16 -4.41 118.70 115.23 1f9a s GLU 29 Ca -0.10 -0.57 0.02 0.00 0.02 0.00 0.00 54.97 54.34 1f9a s GLU 29 Cb 0.08 -0.05 0.01 0.00 0.10 0.00 0.00 34.13 34.28 1f9a s GLU 29 CO 0.91 -0.01 -0.17 0.42 0.02 0.00 0.00 175.26 176.43 1f9a s ILE 30 N -1.21 1.61 -0.16 -1.63 1.01 -0.53 -0.62 121.20 119.67 1f9a s ILE 30 Ca -0.12 -0.73 -0.18 0.00 0.00 0.00 0.00 60.65 59.62 1f9a s ILE 30 Cb -0.09 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 1f9a s ILE 30 CO -0.00 0.46 0.51 -0.63 0.00 0.00 0.00 174.94 175.27 1f9a s ILE 31 N 0.78 5.14 -0.59 2.92 1.09 0.77 -1.41 121.20 129.89 1f9a s ILE 31 Ca -0.11 0.97 -0.05 0.00 -1.10 0.00 0.00 60.65 60.37 1f9a s ILE 31 Cb -0.16 -3.84 0.15 0.00 -1.06 0.00 0.00 42.46 37.56 1f9a s ILE 31 CO 0.02 0.25 0.43 -0.63 -0.10 0.00 0.00 174.94 174.90 1f9a s ILE 32 N 1.11 3.93 -0.16 2.92 1.01 0.86 -1.87 121.20 129.00 1f9a s ILE 32 Ca 0.25 -2.60 -0.29 0.00 0.00 0.00 0.00 60.65 58.01 1f9a s ILE 32 Cb -0.15 -3.56 -0.02 0.00 0.01 0.00 0.00 42.46 38.74 1f9a s ILE 32 CO 0.10 -0.85 1.31 -0.83 0.00 0.00 0.00 174.94 174.67 1f9a s GLY 33 N 1.31 1.62 -0.65 6.18 0.00 0.15 -0.67 107.32 115.25 1f9a s GLY 33 Ca 0.14 0.50 -0.23 0.00 0.00 0.00 0.00 44.72 45.13 1f9a s GLY 33 CO -0.04 2.57 0.96 -0.42 0.00 0.00 0.00 173.10 176.17 1f9a s ILE 34 N 3.61 4.34 0.66 0.90 1.01 0.12 -2.35 121.20 129.50 1f9a s ILE 34 Ca 0.57 -0.31 -0.09 0.00 0.00 0.00 0.00 60.65 60.82 1f9a s ILE 34 Cb -0.23 -4.66 0.01 0.00 0.01 0.00 0.00 42.46 37.59 1f9a s ILE 34 CO 0.17 -1.41 1.02 -0.83 0.00 0.00 0.00 174.94 173.88 1f9a s GLY 35 N 3.59 1.62 -1.32 6.18 0.00 0.55 -0.26 107.32 117.68 1f9a s GLY 35 Ca 0.23 -0.50 -0.09 0.00 0.00 0.00 0.00 44.72 44.36 1f9a s GLY 35 CO 0.11 -0.16 0.53 1.44 0.00 0.00 0.00 173.10 175.02 1f9a n SER 36 N -2.85 -2.00 -0.05 1.64 7.64 -1.04 -4.56 113.62 112.39 1f9a n SER 36 Ca 0.06 -1.05 -0.02 0.00 1.01 0.00 0.00 58.87 58.87 1f9a n SER 36 Cb 0.57 -2.96 0.22 0.00 -1.01 0.00 0.00 64.21 61.04 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 0.90 1.21 0.00 -0.43 0.00 -1.54 0.10 119.26 119.51 1f9a h ALA 37 Ca -0.65 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.01 1f9a h ALA 37 Cb 1.38 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1f9a h ALA 37 CO 0.58 0.52 0.00 0.00 0.00 0.00 0.00 179.25 180.34 1f9a n GLN 38 N -4.23 0.15 -2.89 0.00 0.00 -1.26 -3.46 117.38 105.69 1f9a n GLN 38 Ca 0.02 0.17 -0.42 0.00 0.00 0.00 0.00 57.00 56.77 1f9a n GLN 38 Cb 0.29 -1.69 -0.04 0.00 0.00 0.00 0.00 30.24 28.79 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 -3.08 4.14 0.35 2.61 1.02 0.36 -5.02 119.74 120.11 1f9a s LYS 39 Ca 0.11 0.88 -0.02 0.00 0.02 0.00 0.00 55.97 56.96 1f9a s LYS 39 Cb 0.14 -3.66 0.01 0.00 -0.52 0.00 0.00 37.83 33.80 1f9a s LYS 39 CO 0.54 -0.56 0.50 -1.13 -0.92 0.00 0.00 175.35 173.77 1f9a n SER 40 N 6.08 -1.39 -3.81 2.83 3.41 -1.25 -4.65 113.62 114.84 1f9a n SER 40 Ca 0.05 -2.86 -0.27 0.00 -0.26 0.00 0.00 58.87 55.53 1f9a n SER 40 Cb 0.48 2.57 0.04 0.00 -0.26 0.00 0.00 64.21 67.03 1f9a n SER 40 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1f9a n HIS 41 N -0.57 -2.34 -4.15 7.33 8.25 -0.33 -4.87 115.22 118.55 1f9a n HIS 41 Ca 0.00 0.92 -0.13 0.00 -0.26 0.00 0.00 57.72 58.25 1f9a n HIS 41 Cb 0.58 -4.26 -0.11 0.00 1.12 0.00 0.00 29.99 27.32 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 -3.37 0.76 0.28 1.59 2.01 -0.97 -4.95 115.64 110.99 1f9a s THR 42 Ca 0.52 -1.62 0.00 0.00 0.31 0.00 0.00 61.69 60.90 1f9a s THR 42 Cb -0.25 -1.31 0.28 0.00 0.01 0.00 0.00 72.50 71.23 1f9a s THR 42 CO 0.81 -0.64 1.86 -0.07 -0.69 0.00 0.00 174.62 175.89 1f9a h LEU 43 N 3.55 0.97 -0.29 4.42 3.38 -1.94 -1.48 115.31 123.92 1f9a h LEU 43 Ca -0.36 0.03 -0.19 0.00 0.09 0.00 0.00 57.88 57.45 1f9a h LEU 43 Cb 1.18 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1f9a h LEU 43 CO 0.55 0.57 -0.86 -0.33 0.09 0.00 0.00 178.44 178.45 1f9a h GLU 44 N 1.07 0.08 -2.75 1.13 5.08 -1.99 -3.41 114.58 113.77 1f9a h GLU 44 Ca 0.46 -0.09 -0.61 0.00 -1.00 0.00 0.00 59.36 58.13 1f9a h GLU 44 Cb 0.34 0.03 -0.40 0.00 0.50 0.00 0.00 28.75 29.22 1f9a h GLU 44 CO -0.22 0.89 -0.77 -0.80 -1.00 0.00 0.00 179.01 177.11 1f9a s ASN 45 N -6.83 3.20 0.12 1.42 0.01 -1.12 -4.91 114.94 106.83 1f9a s ASN 45 Ca -0.01 -3.39 -0.16 0.00 -0.71 0.00 0.00 52.86 48.58 1f9a s ASN 45 Cb 0.11 -1.04 -0.03 0.00 0.41 0.00 0.00 41.25 40.70 1f9a s ASN 45 CO 0.81 -0.14 1.63 1.55 -1.51 0.00 0.00 177.10 179.44 1f9a h PRO 46 N 5.63 0.56 -5.97 -0.60 0.13 -1.52 -2.49 132.00 127.73 1f9a h PRO 46 Ca 0.19 -0.13 -0.61 0.00 -0.87 0.00 0.00 66.00 64.58 1f9a h PRO 46 Cb 0.84 -0.08 -0.05 0.00 0.13 0.00 0.00 31.00 31.84 1f9a h PRO 46 CO 0.54 0.59 -0.34 -0.06 -0.23 0.00 0.00 178.00 178.50 1f9a s PHE 47 N -5.37 3.58 0.99 1.56 2.99 -1.26 -1.18 117.98 119.28 1f9a s PHE 47 Ca -0.13 0.63 -0.12 0.00 0.00 0.00 0.00 56.93 57.30 1f9a s PHE 47 Cb 0.09 -2.04 0.18 0.00 0.00 0.00 0.00 43.02 41.26 1f9a s PHE 47 CO 0.75 0.58 1.09 0.99 -0.00 0.00 0.00 175.22 178.63 1f9a s THR 48 N -1.34 2.16 0.20 0.64 2.01 -1.26 -4.53 115.64 113.52 1f9a s THR 48 Ca 0.30 0.05 -0.11 0.00 0.31 0.00 0.00 61.69 62.24 1f9a s THR 48 Cb -0.13 -2.53 0.13 0.00 0.01 0.00 0.00 72.50 69.98 1f9a s THR 48 CO 0.17 -0.07 1.84 0.00 -0.69 0.00 0.00 174.62 175.88 1f9a h ALA 49 N -1.87 0.87 -0.33 7.40 0.00 -1.85 -0.99 119.26 122.48 1f9a h ALA 49 Ca -0.54 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 1f9a h ALA 49 Cb 1.32 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1f9a h ALA 49 CO 0.57 0.18 0.08 0.78 0.00 0.00 0.00 179.25 180.85 1f9a h GLY 50 N 0.81 0.57 0.16 0.00 0.00 -1.92 0.82 103.07 103.51 1f9a h GLY 50 Ca 0.27 -0.36 0.15 0.00 0.00 0.00 0.00 47.33 47.39 1f9a h GLY 50 CO -0.11 0.33 0.36 0.83 0.00 0.00 0.00 176.54 177.96 1f9a h GLU 51 N 0.38 0.50 -0.40 4.80 5.08 -1.87 -2.10 114.58 120.96 1f9a h GLU 51 Ca 0.10 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 1f9a h GLU 51 Cb 0.30 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1f9a h GLU 51 CO 0.00 0.33 -0.10 0.00 -1.00 0.00 0.00 179.01 178.24 1f9a h ARG 52 N 0.51 0.77 -0.74 2.33 3.08 -0.79 -1.81 114.38 117.73 1f9a h ARG 52 Ca 0.44 -0.30 0.01 0.00 0.07 0.00 0.00 59.98 60.21 1f9a h ARG 52 Cb 0.67 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.64 1f9a h ARG 52 CO -0.40 0.91 0.49 0.82 -1.07 0.00 0.00 179.97 180.72 1f9a h ILE 53 N 0.58 1.18 -0.36 2.04 2.04 -0.72 -0.34 117.51 121.93 1f9a h ILE 53 Ca 0.10 -0.34 0.02 0.00 1.00 0.00 0.00 64.86 65.64 1f9a h ILE 53 Cb 0.62 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1f9a h ILE 53 CO 0.04 0.18 0.21 0.25 0.00 0.00 0.00 178.15 178.83 1f9a h LEU 54 N 0.99 0.34 0.02 1.44 5.85 -1.25 -1.31 115.31 121.39 1f9a h LEU 54 Ca 0.27 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 1f9a h LEU 54 Cb -0.10 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.86 1f9a h LEU 54 CO -0.07 0.25 -0.01 0.24 -0.34 0.00 0.00 178.44 178.51 1f9a h MET 55 N 0.43 -0.02 -0.06 1.25 2.86 -0.91 -1.09 114.93 117.39 1f9a h MET 55 Ca 0.14 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 1f9a h MET 55 Cb 0.01 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.67 1f9a h MET 55 CO -0.07 0.01 0.01 0.82 1.06 0.00 0.00 176.91 178.74 1f9a h ILE 56 N -0.04 1.20 -0.57 -1.22 2.04 -1.00 -1.00 117.51 116.92 1f9a h ILE 56 Ca -0.00 -0.60 0.04 0.00 1.00 0.00 0.00 64.86 65.30 1f9a h ILE 56 Cb 0.04 1.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 1f9a h ILE 56 CO 0.00 0.17 0.32 0.74 0.00 0.00 0.00 178.15 179.38 1f9a h THR 57 N -0.13 1.01 -0.80 -0.27 2.02 -1.25 -1.93 112.91 111.56 1f9a h THR 57 Ca 0.02 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 1f9a h THR 57 Cb 0.25 0.33 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 1f9a h THR 57 CO 0.00 0.11 0.38 1.56 0.37 0.00 0.00 175.52 177.95 1f9a h GLN 58 N 0.62 1.14 -0.77 6.66 1.08 -1.12 -2.00 115.11 120.73 1f9a h GLN 58 Ca 0.24 -0.17 -0.03 0.00 -1.45 0.00 0.00 58.65 57.24 1f9a h GLN 58 Cb 0.10 -0.21 -0.04 0.00 -0.05 0.00 0.00 27.48 27.28 1f9a h GLN 58 CO -0.14 0.88 0.35 0.77 -0.95 0.00 0.00 178.83 179.75 1f9a h SER 59 N 1.12 1.01 -0.24 1.46 0.02 -1.06 -3.31 113.55 112.55 1f9a h SER 59 Ca 0.27 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1f9a h SER 59 Cb 0.11 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.40 1f9a h SER 59 CO -0.03 0.86 0.00 0.18 -1.14 0.00 0.00 176.83 176.70 1f9a n LEU 60 N -4.31 3.20 0.22 5.07 4.77 -0.74 -4.54 117.00 120.67 1f9a n LEU 60 Ca 0.07 -1.26 0.12 0.00 -0.03 0.00 0.00 56.01 54.91 1f9a n LEU 60 Cb 0.15 -0.14 0.21 0.00 -2.33 0.00 0.00 43.42 41.31 1f9a n LEU 60 CO 0.39 0.63 0.81 0.07 -1.33 0.00 0.00 177.39 177.96 1f9a h LYS 61 N 4.47 0.00 -0.36 3.23 2.10 -1.47 -1.92 116.57 122.62 1f9a h LYS 61 Ca 0.00 0.00 0.08 0.00 -2.00 0.00 0.00 60.65 58.73 1f9a h LYS 61 Cb 0.97 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.21 1f9a h LYS 61 CO 0.00 0.04 -0.26 0.22 -2.00 0.00 0.00 179.45 177.45 1f9a h ASP 62 N 0.00 -0.86 -3.86 7.07 1.82 -1.82 -3.46 116.42 115.32 1f9a h ASP 62 Ca -0.00 0.17 -0.50 0.00 -0.39 0.00 0.00 57.03 56.31 1f9a h ASP 62 Cb 0.98 0.42 0.03 0.00 0.68 0.00 0.00 39.33 41.44 1f9a h ASP 62 CO 0.00 -0.28 0.21 -0.31 -1.61 0.00 0.00 179.24 177.26 1f9a s TYR 63 N -6.07 3.54 -1.24 0.28 2.02 -0.72 -4.96 117.35 110.20 1f9a s TYR 63 Ca -0.15 1.06 -0.19 0.00 -0.37 0.00 0.00 57.07 57.42 1f9a s TYR 63 Cb 0.14 -2.49 0.05 0.00 -0.40 0.00 0.00 41.96 39.26 1f9a s TYR 63 CO 0.69 -0.34 1.72 -0.51 -1.57 0.00 0.00 175.55 175.53 1f9a s ASP 64 N -3.76 6.59 -0.08 2.29 1.11 -1.26 -4.86 116.67 116.69 1f9a s ASP 64 Ca 0.51 -2.19 -0.03 0.00 0.18 0.00 0.00 52.55 51.02 1f9a s ASP 64 Cb -0.10 -2.58 0.05 0.00 1.07 0.00 0.00 42.92 41.35 1f9a s ASP 64 CO 0.42 -1.43 0.17 -0.22 1.18 0.00 0.00 175.17 175.29 1f9a s LEU 65 N 5.08 0.08 -0.31 1.23 2.96 -1.26 -5.11 118.68 121.35 1f9a s LEU 65 Ca 0.54 0.35 -0.20 0.00 -0.22 0.00 0.00 54.13 54.61 1f9a s LEU 65 Cb 0.03 0.33 -0.01 0.00 0.50 0.00 0.00 46.19 47.04 1f9a s LEU 65 CO 0.05 -0.22 0.59 -0.89 -1.32 0.00 0.00 176.35 174.56 1f9a s THR 66 N 2.05 4.96 0.15 3.68 2.01 -1.26 -5.04 115.64 122.20 1f9a s THR 66 Ca 0.00 0.73 0.01 0.00 0.31 0.00 0.00 61.69 62.74 1f9a s THR 66 Cb -0.12 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 1f9a s THR 66 CO -0.06 -0.14 0.01 -0.72 -0.69 0.00 0.00 174.62 173.01 1f9a s TYR 67 N 2.54 1.07 -0.23 4.92 -0.85 -1.26 -1.46 117.35 122.08 1f9a s TYR 67 Ca 0.23 -1.06 -0.04 0.00 -0.52 0.00 0.00 57.07 55.68 1f9a s TYR 67 Cb -0.15 -0.61 0.08 0.00 0.38 0.00 0.00 41.96 41.66 1f9a s TYR 67 CO 0.12 -0.28 0.13 0.71 -1.52 0.00 0.00 175.55 174.71 1f9a s TYR 68 N -3.75 0.19 -0.54 -3.49 1.51 -0.50 -4.94 117.35 105.82 1f9a s TYR 68 Ca 0.22 -0.53 -0.24 0.00 -1.01 0.00 0.00 57.07 55.51 1f9a s TYR 68 Cb 0.06 -0.75 0.04 0.00 -0.11 0.00 0.00 41.96 41.20 1f9a s TYR 68 CO 0.02 -0.69 0.91 -2.14 -1.11 0.00 0.00 175.55 172.54 1f9a s PRO 69 N 2.14 3.32 -0.15 -1.71 0.02 -1.26 -0.10 135.00 137.27 1f9a s PRO 69 Ca 0.06 -0.29 0.00 0.00 0.02 0.00 0.00 61.00 60.79 1f9a s PRO 69 Cb -0.16 -4.05 0.03 0.00 0.02 0.00 0.00 34.50 30.34 1f9a s PRO 69 CO -0.23 -1.44 -0.11 0.42 -0.33 0.00 0.00 177.00 175.31 1f9a s ILE 70 N 3.80 1.41 -0.05 2.83 1.01 0.15 -4.96 121.20 125.39 1f9a s ILE 70 Ca 0.29 -0.61 -0.30 0.00 0.00 0.00 0.00 60.65 60.04 1f9a s ILE 70 Cb -0.13 -1.39 -0.05 0.00 0.01 0.00 0.00 42.46 40.89 1f9a s ILE 70 CO 0.19 0.36 1.59 -2.16 0.00 0.00 0.00 174.94 174.91 1f9a s PRO 71 N 1.54 4.20 -0.13 2.79 0.04 -1.26 0.16 135.00 142.33 1f9a s PRO 71 Ca 0.04 2.13 0.02 0.00 0.04 0.00 0.00 61.00 63.22 1f9a s PRO 71 Cb -0.14 -3.88 0.00 0.00 0.04 0.00 0.00 34.50 30.53 1f9a s PRO 71 CO -0.09 -0.79 -0.20 0.42 0.04 0.00 0.00 177.00 176.38 1f9a s ILE 72 N 3.66 2.32 0.28 0.56 1.01 0.64 -4.84 121.20 124.84 1f9a s ILE 72 Ca 0.70 -0.90 -0.23 0.00 0.00 0.00 0.00 60.65 60.23 1f9a s ILE 72 Cb -0.33 -1.94 -0.09 0.00 0.01 0.00 0.00 42.46 40.12 1f9a s ILE 72 CO 0.28 0.54 0.84 -0.54 0.00 0.00 0.00 174.94 176.06 1f9a s LYS 73 N 0.67 4.41 0.07 2.79 1.02 -1.26 -1.98 119.74 125.45 1f9a s LYS 73 Ca -0.10 1.10 -0.31 0.00 0.02 0.00 0.00 55.97 56.69 1f9a s LYS 73 Cb -0.16 -2.80 -0.08 0.00 -0.52 0.00 0.00 37.83 34.27 1f9a s LYS 73 CO 0.02 0.31 1.68 -0.51 -0.92 0.00 0.00 175.35 175.93 1f9a s ASP 74 N -1.67 6.58 0.17 2.83 1.01 -1.26 -4.76 116.67 119.56 1f9a s ASP 74 Ca 0.48 2.51 0.11 0.00 0.71 0.00 0.00 52.55 56.35 1f9a s ASP 74 Cb -0.17 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.16 1f9a s ASP 74 CO 0.22 -0.91 -0.22 0.27 0.21 0.00 0.00 175.17 174.74 1f9a s ILE 75 N 2.77 2.51 -0.96 0.77 -4.36 -1.26 -5.04 121.20 115.63 1f9a s ILE 75 Ca 0.75 -1.87 -0.03 0.00 -0.26 0.00 0.00 60.65 59.24 1f9a s ILE 75 Cb -0.40 -2.19 0.24 0.00 1.25 0.00 0.00 42.46 41.36 1f9a s ILE 75 CO 0.33 -0.05 0.90 -0.62 0.24 0.00 0.00 174.94 175.74 1f9a n GLU 76 N 0.42 2.94 -2.71 0.37 -0.58 -1.26 -4.82 120.64 115.01 1f9a n GLU 76 Ca -0.14 -4.48 -0.06 0.00 -0.42 0.00 0.00 57.16 52.06 1f9a n GLU 76 Cb 0.55 -2.45 0.05 0.00 -0.57 0.00 0.00 31.44 29.03 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 2.30 -1.88 0.16 -0.32 -0.00 -1.26 -5.03 117.46 111.42 1f9a n PHE 77 Ca 0.23 -1.12 0.15 0.00 -0.00 0.00 0.00 57.45 56.71 1f9a n PHE 77 Cb 0.37 1.30 0.73 0.00 -0.00 0.00 0.00 39.48 41.88 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 3.78 0.00 1.74 -2.13 2.35 -2.01 -2.35 115.58 116.95 1f9a h ASN 78 Ca -0.14 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 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 0.02 0.00 -0.04 -1.28 -1.65 0.00 0.00 177.43 174.48 1f9a h SER 79 N 0.00 0.00 -0.29 5.81 0.87 -2.00 -2.34 113.55 115.60 1f9a h SER 79 Ca 0.11 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1f9a h SER 79 Cb 0.50 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1f9a h SER 79 CO -0.00 0.04 0.00 2.30 -0.53 0.00 0.00 176.83 178.64 1f9a n ILE 80 N -3.11 0.80 0.12 2.23 -5.35 -0.89 -4.78 119.36 108.38 1f9a n ILE 80 Ca 0.03 -0.90 -0.03 0.00 -0.27 0.00 0.00 62.75 61.58 1f9a n ILE 80 Cb 0.50 0.65 0.14 0.00 -1.74 0.00 0.00 39.64 39.18 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 2.13 0.09 -0.25 4.28 7.01 -1.37 -1.47 115.95 126.38 1f9a h TRP 81 Ca 0.00 -0.04 -0.02 0.00 2.11 0.00 0.00 58.89 60.94 1f9a h TRP 81 Cb 0.69 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.72 1f9a h TRP 81 CO 0.19 0.69 0.06 0.28 -2.79 0.00 0.00 178.44 176.87 1f9a h VAL 82 N 0.05 1.21 -0.48 2.65 2.07 -1.86 0.65 116.25 120.55 1f9a h VAL 82 Ca -0.01 -0.69 0.08 0.00 0.82 0.00 0.00 66.70 66.90 1f9a h VAL 82 Cb 1.14 1.20 -0.07 0.00 -1.52 0.00 0.00 31.29 32.03 1f9a h VAL 82 CO 0.09 0.22 0.08 -1.28 0.02 0.00 0.00 177.57 176.70 1f9a h SER 83 N 0.22 -0.04 0.00 0.57 0.87 -1.86 0.26 113.55 113.57 1f9a h SER 83 Ca 0.08 0.09 0.02 0.00 -1.23 0.00 0.00 61.79 60.75 1f9a h SER 83 Cb 0.28 0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 1f9a h SER 83 CO 0.00 0.01 -0.13 0.22 -0.53 0.00 0.00 176.83 176.40 1f9a h TYR 84 N 0.21 -0.33 -0.80 2.24 3.20 -0.60 -1.09 116.97 119.79 1f9a h TYR 84 Ca 0.24 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.12 1f9a h TYR 84 Cb 0.32 0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.70 1f9a h TYR 84 CO -0.24 -0.19 0.51 0.28 -1.64 0.00 0.00 178.16 176.88 1f9a h VAL 85 N -0.22 1.22 0.00 1.81 2.07 -0.26 -2.47 116.25 118.40 1f9a h VAL 85 Ca 0.05 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 1f9a h VAL 85 Cb 0.27 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1f9a h VAL 85 CO -0.13 0.22 -0.15 -0.33 0.02 0.00 0.00 177.57 177.20 1f9a h GLU 86 N 1.09 0.00 -0.50 1.57 5.08 -0.32 -2.39 114.58 119.12 1f9a h GLU 86 Ca 0.29 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.55 1f9a h GLU 86 Cb -0.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1f9a h GLU 86 CO -0.06 0.15 -0.10 0.77 -1.00 0.00 0.00 179.01 178.77 1f9a h SER 87 N 0.00 0.91 0.44 1.42 0.02 -0.73 -3.22 113.55 112.38 1f9a h SER 87 Ca -0.00 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1f9a h SER 87 Cb 0.30 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1f9a h SER 87 CO 0.02 1.03 -0.50 0.18 -1.14 0.00 0.00 176.83 176.42 1f9a n LEU 88 N -4.15 0.60 -4.19 5.07 4.77 -0.92 -4.98 117.00 113.20 1f9a n LEU 88 Ca 0.02 -0.07 -0.14 0.00 -0.03 0.00 0.00 56.01 55.79 1f9a n LEU 88 Cb 0.38 -0.22 -0.11 0.00 -2.33 0.00 0.00 43.42 41.15 1f9a n LEU 88 CO 0.44 0.14 -0.41 0.42 -1.33 0.00 0.00 177.39 176.65 1f9a s THR 89 N -2.94 0.99 0.44 -5.08 -4.23 -1.09 -5.02 115.64 98.71 1f9a s THR 89 Ca 0.13 -1.75 -0.25 0.00 -1.18 0.00 0.00 61.69 58.64 1f9a s THR 89 Cb 0.18 -1.48 -0.09 0.00 1.34 0.00 0.00 72.50 72.44 1f9a s THR 89 CO 0.69 -0.61 1.23 -2.65 -0.54 0.00 0.00 174.62 172.74 1f9a n PRO 90 N 0.37 1.78 -1.60 3.99 -0.02 -1.26 -4.86 135.00 133.41 1f9a n PRO 90 Ca -0.15 0.64 -0.52 0.00 -2.02 0.00 0.00 63.50 61.45 1f9a n PRO 90 Cb 0.58 -2.35 -0.06 0.00 -0.02 0.00 0.00 33.50 31.66 1f9a n PRO 90 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1f9a n PRO 91 N -0.09 1.21 -4.25 0.52 -0.05 -1.26 -4.99 135.00 126.08 1f9a n PRO 91 Ca 0.08 0.44 -0.14 0.00 -0.05 0.00 0.00 63.50 63.82 1f9a n PRO 91 Cb 0.40 -2.09 -0.10 0.00 -0.05 0.00 0.00 33.50 31.67 1f9a n PRO 91 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 175.50 174.86 1f9a s PHE 92 N 0.60 1.27 -0.02 0.54 -0.12 -1.26 -4.64 117.98 114.35 1f9a s PHE 92 Ca 0.85 -0.76 0.02 0.00 -0.05 0.00 0.00 56.93 56.99 1f9a s PHE 92 Cb -0.94 -0.64 -0.02 0.00 -0.63 0.00 0.00 43.02 40.78 1f9a s PHE 92 CO 0.47 0.09 0.00 -0.25 -0.05 0.00 0.00 175.22 175.48 1f9a n ASP 93 N -0.20 4.41 -3.94 1.98 8.00 0.04 -4.93 116.55 121.91 1f9a n ASP 93 Ca -0.10 -0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.21 1f9a n ASP 93 Cb 0.61 0.48 -0.16 0.00 -0.02 0.00 0.00 41.12 42.03 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 -2.05 0.58 -0.26 0.53 1.01 -1.05 -4.16 121.20 115.81 1f9a s ILE 94 Ca -0.01 -0.22 -0.06 0.00 0.00 0.00 0.00 60.65 60.36 1f9a s ILE 94 Cb 0.01 -0.55 -0.01 0.00 0.01 0.00 0.00 42.46 41.92 1f9a s ILE 94 CO 0.08 0.21 0.03 -0.69 0.00 0.00 0.00 174.94 174.57 1f9a s VAL 95 N 0.44 3.83 -0.64 2.92 1.01 -0.56 -0.94 120.40 126.46 1f9a s VAL 95 Ca -0.06 -0.49 -0.17 0.00 0.00 0.00 0.00 61.98 61.26 1f9a s VAL 95 Cb -0.10 -2.85 0.14 0.00 0.00 0.00 0.00 36.38 33.58 1f9a s VAL 95 CO 0.00 0.27 0.66 -0.31 0.00 0.00 0.00 175.10 175.72 1f9a s TYR 96 N 1.52 3.27 -0.05 5.22 1.51 -0.08 0.20 117.35 128.95 1f9a s TYR 96 Ca 0.05 -1.34 -0.12 0.00 -1.01 0.00 0.00 57.07 54.65 1f9a s TYR 96 Cb -0.16 -3.90 0.02 0.00 -0.11 0.00 0.00 41.96 37.81 1f9a s TYR 96 CO 0.01 -1.13 0.27 0.45 -1.11 0.00 0.00 175.55 174.04 1f9a s SER 97 N 3.31 -0.20 0.00 2.29 0.15 0.03 -4.59 113.70 114.70 1f9a s SER 97 Ca 0.11 0.23 0.22 0.00 0.70 0.00 0.00 55.95 57.21 1f9a s SER 97 Cb -0.23 0.41 0.17 0.00 -1.71 0.00 0.00 66.02 64.66 1f9a s SER 97 CO 0.01 -0.29 1.19 0.61 1.20 0.00 0.00 173.24 175.96 1f9a n GLY 98 N 1.97 0.77 3.68 9.45 0.00 -1.26 -4.10 105.19 115.70 1f9a n GLY 98 Ca -0.18 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.83 7.20 0.27 1.61 2.47 -1.26 -4.92 114.94 118.47 1f9a s ASN 99 Ca 0.25 1.47 0.01 0.00 0.42 0.00 0.00 52.86 55.02 1f9a s ASN 99 Cb 0.18 -2.54 0.38 0.00 -1.45 0.00 0.00 41.25 37.81 1f9a s ASN 99 CO 0.28 -0.48 1.71 -0.65 -3.72 0.00 0.00 177.10 174.24 1f9a h PRO 100 N 7.17 0.54 -0.05 0.43 0.11 -1.99 -1.30 132.00 136.91 1f9a h PRO 100 Ca -0.29 -0.20 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 1f9a h PRO 100 Cb 1.13 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1f9a h PRO 100 CO 0.87 0.73 -0.16 1.25 -0.21 0.00 0.00 178.00 180.48 1f9a h LEU 101 N 0.48 0.24 -0.54 2.35 5.85 -1.99 -1.42 115.31 120.28 1f9a h LEU 101 Ca 0.07 -0.61 0.10 0.00 0.84 0.00 0.00 57.88 58.28 1f9a h LEU 101 Cb 0.66 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.53 1f9a h LEU 101 CO 0.05 0.81 0.05 0.58 -0.34 0.00 0.00 178.44 179.59 1f9a h VAL 102 N -0.32 0.62 -0.14 1.05 2.07 -1.85 -1.06 116.25 116.62 1f9a h VAL 102 Ca -0.01 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.48 1f9a h VAL 102 Cb 0.79 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1f9a h VAL 102 CO 0.03 0.03 -0.00 -0.09 0.02 0.00 0.00 177.57 177.56 1f9a h ARG 103 N 0.17 0.04 -0.48 1.57 2.43 -1.25 -2.14 114.38 114.73 1f9a h ARG 103 Ca 0.28 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.36 1f9a h ARG 103 Cb 0.42 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 1f9a h ARG 103 CO -0.41 0.03 -0.05 0.28 -1.51 0.00 0.00 179.97 178.30 1f9a h VAL 104 N 0.04 1.25 -0.10 0.20 2.07 -0.63 0.01 116.25 119.09 1f9a h VAL 104 Ca 0.07 -1.11 -0.04 0.00 0.82 0.00 0.00 66.70 66.44 1f9a h VAL 104 Cb 0.08 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1f9a h VAL 104 CO -0.11 0.39 -0.09 -0.07 0.02 0.00 0.00 177.57 177.70 1f9a h LEU 105 N 0.77 0.26 -0.16 2.57 3.38 -0.88 -1.94 115.31 119.31 1f9a h LEU 105 Ca 0.14 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 1f9a h LEU 105 Cb 0.54 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1f9a h LEU 105 CO 0.03 0.68 0.09 -0.26 0.09 0.00 0.00 178.44 179.07 1f9a h PHE 106 N -0.15 0.22 0.00 1.13 -1.00 -1.42 -2.82 116.94 112.90 1f9a h PHE 106 Ca 0.02 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.78 1f9a h PHE 106 Cb 0.60 -0.07 -0.00 0.00 3.61 0.00 0.00 35.95 40.09 1f9a h PHE 106 CO 0.08 0.21 -0.08 0.93 -1.61 0.00 0.00 178.31 177.84 1f9a h GLU 107 N 0.16 0.00 0.00 1.51 5.08 -0.94 -0.59 114.58 119.80 1f9a h GLU 107 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1f9a h GLU 107 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1f9a h GLU 107 CO -0.01 0.08 0.00 0.93 -1.00 0.00 0.00 179.01 179.01 1f9a h GLU 108 N 0.00 0.00 -0.66 2.33 5.08 -1.30 0.25 114.58 120.28 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 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1f9a h GLU 108 CO 0.01 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.56 1f9a n ARG 109 N -2.46 2.99 -0.65 2.33 5.12 -0.31 -4.95 116.66 118.74 1f9a n ARG 109 Ca 0.04 -2.51 0.00 0.00 -1.93 0.00 0.00 57.85 53.46 1f9a n ARG 109 Cb 0.41 -1.67 0.00 0.00 -1.16 0.00 0.00 32.46 30.04 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 1.34 0.63 3.89 -0.13 0.00 0.08 -5.05 105.19 105.94 1f9a n GLY 110 Ca 0.23 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.00 3.53 0.11 1.61 1.51 -0.70 -5.00 117.35 116.42 1f9a s TYR 111 Ca 0.00 0.58 -0.30 0.00 -1.01 0.00 0.00 57.07 56.34 1f9a s TYR 111 Cb 0.00 -2.01 -0.06 0.00 -0.11 0.00 0.00 41.96 39.78 1f9a s TYR 111 CO 0.00 0.52 1.08 -2.00 -1.11 0.00 0.00 175.55 174.05 1f9a s GLU 112 N -2.20 4.57 -0.10 -0.62 2.12 -1.26 -4.14 118.70 117.07 1f9a s GLU 112 Ca 0.34 1.64 0.01 0.00 0.36 0.00 0.00 54.97 57.33 1f9a s GLU 112 Cb -0.13 -3.34 0.02 0.00 0.26 0.00 0.00 34.13 30.94 1f9a s GLU 112 CO 0.21 -0.00 -0.13 0.08 -0.54 0.00 0.00 175.26 174.87 1f9a s VAL 113 N 0.31 1.35 0.11 3.70 1.01 -1.26 -1.50 120.40 124.12 1f9a s VAL 113 Ca 0.52 -0.55 0.09 0.00 0.00 0.00 0.00 61.98 62.04 1f9a s VAL 113 Cb -0.27 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 1f9a s VAL 113 CO 0.32 0.41 -0.19 -0.54 0.00 0.00 0.00 175.10 175.09 1f9a s LYS 114 N 1.04 1.75 0.05 2.72 1.02 0.13 -4.96 119.74 121.49 1f9a s LYS 114 Ca -0.06 -1.19 -0.30 0.00 0.02 0.00 0.00 55.97 54.44 1f9a s LYS 114 Cb -0.15 -2.09 -0.05 0.00 -0.52 0.00 0.00 37.83 35.03 1f9a s LYS 114 CO -0.02 0.48 1.07 1.03 -0.92 0.00 0.00 175.35 176.99 1f9a s ARG 115 N -2.08 4.54 0.53 1.68 0.52 -1.26 -0.79 118.95 122.10 1f9a s ARG 115 Ca 0.17 1.58 -0.17 0.00 -0.52 0.00 0.00 55.73 56.79 1f9a s ARG 115 Cb -0.10 -3.39 -0.07 0.00 0.52 0.00 0.00 34.95 31.91 1f9a s ARG 115 CO 0.09 -0.08 1.00 -1.25 0.02 0.00 0.00 175.30 175.09 1f9a s PRO 116 N 0.75 3.81 0.26 3.54 0.04 -1.26 -4.96 135.00 137.18 1f9a s PRO 116 Ca 0.53 1.02 -0.29 0.00 0.04 0.00 0.00 61.00 62.30 1f9a s PRO 116 Cb -0.25 -2.11 -0.09 0.00 0.04 0.00 0.00 34.50 32.08 1f9a s PRO 116 CO 0.29 -0.39 1.25 -1.21 0.04 0.00 0.00 177.00 176.98 1f9a s GLU 117 N -4.04 4.45 0.24 4.56 2.02 -1.26 -4.98 118.70 119.69 1f9a s GLU 117 Ca 0.60 2.03 -0.30 0.00 0.02 0.00 0.00 54.97 57.32 1f9a s GLU 117 Cb -0.11 -3.16 -0.09 0.00 0.10 0.00 0.00 34.13 30.87 1f9a s GLU 117 CO 0.32 -0.10 1.02 -1.64 0.02 0.00 0.00 175.26 174.88 1f9a s MET 118 N -1.03 4.74 -0.29 1.61 -1.94 -1.26 -4.80 119.30 116.33 1f9a s MET 118 Ca 0.51 1.63 0.00 0.00 -1.71 0.00 0.00 55.69 56.12 1f9a s MET 118 Cb -0.36 -3.25 0.06 0.00 2.01 0.00 0.00 34.83 33.28 1f9a s MET 118 CO 0.44 0.33 -0.04 -0.06 -0.01 0.00 0.00 175.02 175.68 1f9a s PHE 119 N -0.99 3.28 -1.08 -0.03 0.40 -1.26 -4.83 117.98 113.47 1f9a s PHE 119 Ca 0.44 -2.09 -0.06 0.00 -0.60 0.00 0.00 56.93 54.61 1f9a s PHE 119 Cb -0.29 -2.07 0.01 0.00 0.51 0.00 0.00 43.02 41.18 1f9a s PHE 119 CO 0.36 -0.84 0.94 -1.71 0.70 0.00 0.00 175.22 174.67 1f9a n ASN 120 N 4.54 -5.07 0.16 1.36 5.15 -1.26 -4.68 115.26 115.46 1f9a n ASN 120 Ca -0.13 -0.45 0.17 0.00 -0.60 0.00 0.00 54.58 53.57 1f9a n ASN 120 Cb 0.43 -4.18 0.77 0.00 -0.53 0.00 0.00 39.78 36.27 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 -2.10 0.00 0.00 1.20 3.08 -1.88 0.22 114.38 114.89 1f9a h ARG 121 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 1f9a h ARG 121 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 1f9a h ARG 121 CO 0.45 0.00 0.00 1.57 -1.07 0.00 0.00 179.97 180.92 1f9a h LYS 122 N 0.00 0.00 0.00 0.04 2.10 -2.01 -3.26 116.57 113.44 1f9a h LYS 122 Ca 0.12 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.62 1f9a h LYS 122 Cb 0.59 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.89 1f9a h LYS 122 CO -0.00 0.00 -1.56 0.39 -2.00 0.00 0.00 179.45 176.28 1f9a n GLU 123 N -2.74 0.24 -2.65 0.07 1.02 -0.78 -4.90 120.64 110.90 1f9a n GLU 123 Ca 0.01 0.06 -0.43 0.00 -0.02 0.00 0.00 57.16 56.78 1f9a n GLU 123 Cb 0.25 -1.17 -0.00 0.00 -0.02 0.00 0.00 31.44 30.50 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 -2.19 2.91 -0.28 -0.32 4.12 -0.00 -4.52 117.35 117.06 1f9a s TYR 124 Ca -0.13 -1.70 -0.18 0.00 0.02 0.00 0.00 57.07 55.07 1f9a s TYR 124 Cb 0.04 -4.68 0.09 0.00 -1.52 0.00 0.00 41.96 35.88 1f9a s TYR 124 CO 0.22 -1.74 0.73 -1.54 0.02 0.00 0.00 175.55 173.25 1f9a s SER 125 N 3.99 -0.86 0.25 2.29 1.04 -1.26 -4.52 113.70 114.64 1f9a s SER 125 Ca 0.52 1.42 -0.04 0.00 0.48 0.00 0.00 55.95 58.33 1f9a s SER 125 Cb 0.03 1.37 0.40 0.00 0.10 0.00 0.00 66.02 67.92 1f9a s SER 125 CO 0.06 -0.23 1.84 1.23 0.98 0.00 0.00 173.24 177.12 1f9a h GLY 126 N 6.46 1.38 0.80 7.32 0.00 -1.85 -1.31 103.07 115.87 1f9a h GLY 126 Ca -0.30 -0.39 0.05 0.00 0.00 0.00 0.00 47.33 46.69 1f9a h GLY 126 CO 0.14 0.22 0.56 -0.84 0.00 0.00 0.00 176.54 176.62 1f9a h THR 127 N 0.96 1.10 -0.42 4.70 2.02 -1.95 0.15 112.91 119.46 1f9a h THR 127 Ca 0.41 -0.36 -0.11 0.00 0.77 0.00 0.00 66.41 67.12 1f9a h THR 127 Cb 0.27 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 1f9a h THR 127 CO -0.21 0.19 -0.16 -0.08 0.37 0.00 0.00 175.52 175.63 1f9a h GLU 128 N 1.05 0.85 -0.48 6.66 4.57 -1.79 -1.13 114.58 124.32 1f9a h GLU 128 Ca 0.36 -0.36 -0.09 0.00 -1.18 0.00 0.00 59.36 58.10 1f9a h GLU 128 Cb 0.09 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 1f9a h GLU 128 CO -0.14 0.99 -0.07 0.82 -1.18 0.00 0.00 179.01 179.43 1f9a h ILE 129 N 0.67 1.26 -0.47 2.32 2.04 -0.84 -1.55 117.51 120.94 1f9a h ILE 129 Ca 0.10 -1.14 -0.12 0.00 1.00 0.00 0.00 64.86 64.70 1f9a h ILE 129 Cb 0.72 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 1f9a h ILE 129 CO 0.05 0.40 -0.20 0.03 0.00 0.00 0.00 178.15 178.43 1f9a h ARG 130 N 0.77 0.95 -0.56 2.37 3.08 -0.59 -1.17 114.38 119.24 1f9a h ARG 130 Ca 0.14 -0.39 -0.03 0.00 0.07 0.00 0.00 59.98 59.76 1f9a h ARG 130 Cb 0.56 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 1f9a h ARG 130 CO 0.03 1.05 0.23 -0.09 -1.07 0.00 0.00 179.97 180.12 1f9a h ARG 131 N 0.83 0.83 -0.48 0.04 2.43 -1.01 0.46 114.38 117.47 1f9a h ARG 131 Ca 0.11 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 1f9a h ARG 131 Cb 0.76 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 1f9a h ARG 131 CO 0.06 0.72 0.20 0.00 -1.51 0.00 0.00 179.97 179.44 1f9a h ARG 132 N 0.76 0.72 -0.28 0.20 3.08 -1.09 -2.03 114.38 115.75 1f9a h ARG 132 Ca 0.19 -0.13 0.07 0.00 0.07 0.00 0.00 59.98 60.17 1f9a h ARG 132 Cb 0.20 -0.12 -0.08 0.00 0.08 0.00 0.00 29.97 30.05 1f9a h ARG 132 CO -0.02 0.64 -0.31 0.52 -1.07 0.00 0.00 179.97 179.74 1f9a h MET 133 N 0.64 -0.29 -0.26 0.04 2.86 -0.57 -0.74 114.93 116.61 1f9a h MET 133 Ca 0.16 0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.83 1f9a h MET 133 Cb 0.18 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 1f9a h MET 133 CO -0.01 -0.19 0.17 1.25 1.06 0.00 0.00 176.91 179.19 1f9a h LEU 134 N -0.30 0.28 0.00 1.22 5.85 -0.45 -3.23 115.31 118.69 1f9a h LEU 134 Ca 0.14 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1f9a h LEU 134 Cb 0.53 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1f9a h LEU 134 CO -0.45 0.20 -1.03 0.59 -0.34 0.00 0.00 178.44 177.42 1f9a n ASN 135 N -4.50 0.86 0.00 1.25 3.02 -0.81 -4.95 115.26 110.13 1f9a n ASN 135 Ca 0.01 -0.84 0.00 0.00 -0.03 0.00 0.00 54.58 53.72 1f9a n ASN 135 Cb 0.09 1.11 0.00 0.00 -0.61 0.00 0.00 39.78 40.36 1f9a n ASN 135 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1f9a n GLY 136 N 1.45 0.91 3.92 7.41 0.00 -0.33 -5.09 105.19 113.45 1f9a n GLY 136 Ca 0.03 -0.22 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.45 3.16 0.13 1.61 2.02 -0.90 -5.02 118.70 119.25 1f9a s GLU 137 Ca 0.00 -0.00 -0.30 0.00 0.02 0.00 0.00 54.97 54.69 1f9a s GLU 137 Cb 0.00 -2.35 -0.07 0.00 0.10 0.00 0.00 34.13 31.81 1f9a s GLU 137 CO 0.00 -0.46 1.12 0.15 0.02 0.00 0.00 175.26 176.08 1f9a s LYS 138 N -4.84 4.55 0.00 1.61 1.02 -1.26 -4.41 119.74 116.41 1f9a s LYS 138 Ca 0.51 1.71 0.00 0.00 0.02 0.00 0.00 55.97 58.20 1f9a s LYS 138 Cb -0.10 -3.31 0.00 0.00 -0.52 0.00 0.00 37.83 33.90 1f9a s LYS 138 CO 0.44 -0.02 0.00 -2.67 -0.92 0.00 0.00 175.35 172.18 1f9a n TRP 139 N 2.90 0.00 0.17 3.18 4.27 -1.26 -4.91 117.44 121.79 1f9a n TRP 139 Ca 0.05 0.00 0.03 0.00 -3.89 0.00 0.00 57.50 53.68 1f9a n TRP 139 Cb 0.47 0.00 0.29 0.00 -1.36 0.00 0.00 31.31 30.70 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 5.08 -1.93 0.15 114.58 115.21 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 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1f9a h GLU 140 CO 0.00 0.46 0.00 -2.39 -1.00 0.00 0.00 179.01 176.08 1f9a n HIS 141 N -3.72 0.00 1.08 4.33 1.44 -1.26 -3.61 115.22 113.48 1f9a n HIS 141 Ca -0.01 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.82 1f9a n HIS 141 Cb 0.53 -0.30 0.16 0.00 0.12 0.00 0.00 29.99 30.50 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 -1.30 1.11 -4.33 2.39 4.77 0.53 -4.93 117.00 115.24 1f9a n LEU 142 Ca 0.06 -0.35 -0.17 0.00 -0.03 0.00 0.00 56.01 55.52 1f9a n LEU 142 Cb 0.11 -0.10 -0.10 0.00 -2.33 0.00 0.00 43.42 41.00 1f9a n LEU 142 CO 0.11 0.23 -0.33 0.68 -1.33 0.00 0.00 177.39 176.75 1f9a s VAL 143 N -2.72 1.02 0.61 4.08 -7.23 -1.24 -1.44 120.40 113.48 1f9a s VAL 143 Ca 0.16 -2.03 -0.18 0.00 -1.81 0.00 0.00 61.98 58.12 1f9a s VAL 143 Cb 0.18 -2.34 -0.03 0.00 0.56 0.00 0.00 36.38 34.76 1f9a s VAL 143 CO 0.65 -0.33 1.20 -2.84 -0.31 0.00 0.00 175.10 173.47 1f9a s PRO 144 N -3.87 2.89 0.44 4.82 0.02 -1.26 -4.80 135.00 133.24 1f9a s PRO 144 Ca 0.28 1.79 0.13 0.00 0.02 0.00 0.00 61.00 63.22 1f9a s PRO 144 Cb 0.06 -1.92 1.01 0.00 0.02 0.00 0.00 34.50 33.67 1f9a s PRO 144 CO 0.08 -1.26 2.01 0.87 -0.33 0.00 0.00 177.00 178.37 1f9a h LYS 145 N 0.74 0.40 -0.25 5.54 1.57 -1.99 -1.38 116.57 121.20 1f9a h LYS 145 Ca -0.50 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.21 1f9a h LYS 145 Cb 1.29 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 1f9a h LYS 145 CO 0.55 0.27 -0.06 0.00 -0.57 0.00 0.00 179.45 179.63 1f9a h ALA 146 N 1.72 1.43 -0.87 3.86 0.00 -1.89 -1.26 119.26 122.25 1f9a h ALA 146 Ca 0.24 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1f9a h ALA 146 Cb 0.40 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1f9a h ALA 146 CO -0.06 0.40 0.45 0.28 0.00 0.00 0.00 179.25 180.32 1f9a h VAL 147 N 0.38 1.26 -0.49 0.00 2.07 -1.52 -1.36 116.25 116.58 1f9a h VAL 147 Ca 0.08 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 1f9a h VAL 147 Cb 0.36 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1f9a h VAL 147 CO 0.02 0.30 0.30 0.58 0.02 0.00 0.00 177.57 178.79 1f9a h VAL 148 N 1.23 1.14 0.04 2.57 2.07 -0.97 0.42 116.25 122.76 1f9a h VAL 148 Ca 0.30 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.52 1f9a h VAL 148 Cb 0.07 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1f9a h VAL 148 CO -0.04 0.14 -0.09 0.44 0.02 0.00 0.00 177.57 178.04 1f9a h ASP 149 N 0.65 -0.25 -0.28 0.57 3.32 -1.09 -2.06 116.42 117.29 1f9a h ASP 149 Ca 0.18 0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.32 1f9a h ASP 149 Cb -0.03 0.10 -0.06 0.00 0.22 0.00 0.00 39.33 39.56 1f9a h ASP 149 CO -0.03 -0.13 -0.09 0.58 -1.72 0.00 0.00 179.24 177.84 1f9a h VAL 150 N -0.17 0.66 -1.00 -1.35 2.07 -0.66 -0.84 116.25 114.96 1f9a h VAL 150 Ca 0.02 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.68 1f9a h VAL 150 Cb 0.19 0.66 -0.09 0.00 -1.52 0.00 0.00 31.29 30.54 1f9a h VAL 150 CO -0.06 0.00 0.63 0.40 0.02 0.00 0.00 177.57 178.56 1f9a h ILE 151 N -0.03 0.88 -0.20 4.57 2.04 -0.77 -1.39 117.51 122.60 1f9a h ILE 151 Ca 0.14 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1f9a h ILE 151 Cb 0.25 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.17 1f9a h ILE 151 CO -0.31 0.17 0.05 0.11 0.00 0.00 0.00 178.15 178.17 1f9a h LYS 152 N 0.95 0.33 -0.65 2.37 1.57 -1.14 0.36 116.57 120.36 1f9a h LYS 152 Ca 0.51 -0.08 0.09 0.00 -1.87 0.00 0.00 60.65 59.30 1f9a h LYS 152 Cb 0.57 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.77 1f9a h LYS 152 CO -0.29 0.46 0.29 1.49 -0.57 0.00 0.00 179.45 180.83 1f9a h GLU 153 N 0.14 0.50 -0.52 3.15 4.81 -0.16 -1.77 114.58 120.73 1f9a h GLU 153 Ca 0.06 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1f9a h GLU 153 Cb 0.28 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.55 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 -4.92 0.69 -3.91 2.32 -5.35 -0.62 -4.94 119.36 102.63 1f9a n ILE 154 Ca 0.09 -0.76 -0.35 0.00 -0.27 0.00 0.00 62.75 61.47 1f9a n ILE 154 Cb 0.26 0.54 0.01 0.00 -1.74 0.00 0.00 39.64 38.71 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 1.25 -1.36 0.04 6.28 5.02 -0.67 -4.92 118.16 123.80 1f9a n LYS 155 Ca 0.20 0.30 -0.07 0.00 -2.02 0.00 0.00 58.31 56.72 1f9a n LYS 155 Cb 0.52 -3.70 0.09 0.00 -0.02 0.00 0.00 35.03 31.92 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 -2.10 0.47 0.67 0.72 0.00 -1.22 -2.50 103.07 99.12 1f9a h GLY 156 Ca -0.67 -0.55 -0.06 0.00 0.00 0.00 0.00 47.33 46.05 1f9a h GLY 156 CO 0.54 0.49 -0.17 -2.08 0.00 0.00 0.00 176.54 175.32 1f9a h VAL 157 N 0.33 1.39 -0.72 4.60 2.07 -1.92 -2.33 116.25 119.67 1f9a h VAL 157 Ca 0.01 -1.45 0.14 0.00 0.82 0.00 0.00 66.70 66.22 1f9a h VAL 157 Cb 1.07 2.10 -0.09 0.00 -1.52 0.00 0.00 31.29 32.85 1f9a h VAL 157 CO 0.10 0.41 0.25 -0.33 0.02 0.00 0.00 177.57 178.02 1f9a h GLU 158 N -0.16 0.37 0.11 1.57 5.08 -1.94 -0.76 114.58 118.86 1f9a h GLU 158 Ca 0.01 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1f9a h GLU 158 Cb 0.75 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.87 1f9a h GLU 158 CO 0.04 0.25 -0.41 -0.09 -1.00 0.00 0.00 179.01 177.79 1f9a h ARG 159 N 0.39 -0.62 -0.52 2.33 2.43 -1.27 -1.69 114.38 115.42 1f9a h ARG 159 Ca 0.39 0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.70 1f9a h ARG 159 Cb 0.60 0.14 -0.11 0.00 -0.42 0.00 0.00 29.97 30.19 1f9a h ARG 159 CO -0.41 -0.41 -0.30 1.25 -1.51 0.00 0.00 179.97 178.58 1f9a h LEU 160 N -0.64 -1.02 -0.81 3.80 5.85 -1.05 -0.72 115.31 120.71 1f9a h LEU 160 Ca 0.02 0.21 0.08 0.00 0.84 0.00 0.00 57.88 59.03 1f9a h LEU 160 Cb 0.67 0.51 -0.07 0.00 0.37 0.00 0.00 40.66 42.15 1f9a h LEU 160 CO -0.24 -0.29 0.47 0.03 -0.34 0.00 0.00 178.44 178.06 1f9a h ARG 161 N -0.17 0.78 -0.49 1.25 3.08 -1.07 -1.94 114.38 115.83 1f9a h ARG 161 Ca 0.22 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 1f9a h ARG 161 Cb 0.53 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 1f9a h ARG 161 CO -0.61 0.52 0.25 0.87 -1.07 0.00 0.00 179.97 179.92 1f9a h LYS 162 N 0.81 0.67 0.00 0.04 1.57 -0.88 -2.93 116.57 115.84 1f9a h LYS 162 Ca 0.38 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 59.07 1f9a h LYS 162 Cb 0.30 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1f9a h LYS 162 CO -0.22 0.51 -0.08 -0.07 -0.57 0.00 0.00 179.45 179.02 1f9a h LEU 163 N 0.68 0.00 -1.25 2.94 3.38 -0.37 -3.52 115.31 117.17 1f9a h LEU 163 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1f9a h LEU 163 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1f9a h LEU 163 CO -0.03 0.08 0.00 0.00 0.09 0.00 0.00 178.44 178.58