#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 1.04 0.11 3.23 0.52 -1.26 -1.52 118.95 121.07 1f9a s ARG 2 Ca 0.00 -0.18 0.03 0.00 -0.52 0.00 0.00 55.73 55.06 1f9a s ARG 2 Cb 0.00 -0.97 -0.04 0.00 0.52 0.00 0.00 34.95 34.46 1f9a s ARG 2 CO 0.00 -0.05 0.12 0.20 0.02 0.00 0.00 175.30 175.60 1f9a s GLY 3 N 0.82 1.93 -0.07 -3.53 0.00 0.24 -0.20 107.32 106.51 1f9a s GLY 3 Ca -0.12 -1.05 0.04 0.00 0.00 0.00 0.00 44.72 43.58 1f9a s GLY 3 CO 0.01 -1.04 -0.19 -0.12 0.00 0.00 0.00 173.10 171.76 1f9a s PHE 4 N -1.53 2.04 0.17 1.90 5.36 0.03 -1.17 117.98 124.79 1f9a s PHE 4 Ca 0.31 -0.72 0.06 0.00 -0.96 0.00 0.00 56.93 55.62 1f9a s PHE 4 Cb -0.12 -1.38 -0.04 0.00 -0.34 0.00 0.00 43.02 41.14 1f9a s PHE 4 CO 0.23 -0.28 -0.13 -1.50 -1.46 0.00 0.00 175.22 172.08 1f9a s ILE 5 N 0.26 1.50 -0.02 3.12 2.07 -0.82 -1.46 121.20 125.85 1f9a s ILE 5 Ca -0.11 -2.09 0.01 0.00 -1.41 0.00 0.00 60.65 57.04 1f9a s ILE 5 Cb -0.15 -1.91 0.01 0.00 0.13 0.00 0.00 42.46 40.54 1f9a s ILE 5 CO 0.05 -0.62 -0.03 -0.51 -1.91 0.00 0.00 174.94 171.93 1f9a s ILE 6 N -2.97 0.28 0.09 2.00 2.07 -1.26 -0.84 121.20 120.58 1f9a s ILE 6 Ca 0.19 -0.07 -0.02 0.00 -1.41 0.00 0.00 60.65 59.33 1f9a s ILE 6 Cb -0.00 -0.30 0.01 0.00 0.13 0.00 0.00 42.46 42.30 1f9a s ILE 6 CO 0.04 0.12 0.16 0.61 -1.91 0.00 0.00 174.94 173.97 1f9a n GLY 7 N 3.51 2.29 0.09 1.50 0.00 -0.83 -5.00 105.19 106.75 1f9a n GLY 7 Ca -0.19 -1.25 -0.10 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.14 0.67 -3.78 1.61 1.74 -1.26 -0.93 116.66 114.56 1f9a n ARG 8 Ca -0.01 0.10 -0.33 0.00 -0.77 0.00 0.00 57.85 56.84 1f9a n ARG 8 Cb 0.15 -1.61 0.03 0.00 -1.02 0.00 0.00 32.46 30.00 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 -2.86 -1.84 -3.64 -1.55 3.01 -1.26 -4.74 117.46 104.58 1f9a n PHE 9 Ca -0.28 0.44 -0.27 0.00 1.01 0.00 0.00 57.45 58.35 1f9a n PHE 9 Cb 1.12 -3.17 -0.10 0.00 -0.01 0.00 0.00 39.48 37.32 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 -4.04 1.80 -3.83 -1.08 3.00 -1.26 -3.36 117.38 108.61 1f9a n GLN 10 Ca -0.13 -4.32 -0.23 0.00 -0.01 0.00 0.00 57.00 52.31 1f9a n GLN 10 Cb 0.59 -2.14 -0.05 0.00 0.00 0.00 0.00 30.24 28.65 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 -1.62 2.37 -0.13 -1.09 0.04 -1.26 -4.75 135.00 128.57 1f9a s PRO 11 Ca 0.31 -1.72 -0.38 0.00 0.04 0.00 0.00 61.00 59.25 1f9a s PRO 11 Cb 0.04 -2.18 -0.15 0.00 0.04 0.00 0.00 34.50 32.25 1f9a s PRO 11 CO -0.12 -0.21 1.65 0.34 0.04 0.00 0.00 177.00 178.70 1f9a n PHE 12 N -1.45 1.97 -3.08 0.56 7.35 -1.21 -4.74 117.46 116.86 1f9a n PHE 12 Ca 0.01 0.47 0.00 0.00 -0.76 0.00 0.00 57.45 57.17 1f9a n PHE 12 Cb 0.63 -2.46 0.00 0.00 0.35 0.00 0.00 39.48 38.00 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 4.71 0.00 0.22 -5.13 1.44 -1.26 -4.67 115.22 110.53 1f9a n HIS 13 Ca 0.23 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 56.06 1f9a n HIS 13 Cb 0.18 0.00 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 -0.53 -1.40 1.57 -1.69 -2.53 116.57 112.00 1f9a h LYS 14 Ca 0.00 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1f9a h LYS 14 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1f9a h LYS 14 CO 0.00 0.00 0.32 0.78 -0.57 0.00 0.00 179.45 179.98 1f9a h GLY 15 N 4.12 0.74 0.98 3.86 0.00 -1.84 -1.79 103.07 109.14 1f9a h GLY 15 Ca 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 1f9a h GLY 15 CO 0.00 0.21 -0.04 0.45 0.00 0.00 0.00 176.54 177.16 1f9a h HIS 16 N 0.64 -0.11 -0.59 5.60 3.86 -1.82 -2.35 115.15 120.39 1f9a h HIS 16 Ca 0.21 -0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.50 1f9a h HIS 16 Cb 0.00 0.04 -0.07 0.00 1.06 0.00 0.00 27.41 28.44 1f9a h HIS 16 CO -0.06 -0.05 0.23 1.25 0.86 0.00 0.00 177.93 180.16 1f9a h LEU 17 N -0.15 0.24 -0.20 2.43 6.46 -1.21 -1.89 115.31 120.98 1f9a h LEU 17 Ca -0.01 0.07 -0.07 0.00 -0.12 0.00 0.00 57.88 57.75 1f9a h LEU 17 Cb 0.12 0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.09 1f9a h LEU 17 CO 0.02 0.15 -0.15 -0.33 -0.62 0.00 0.00 178.44 177.51 1f9a h GLU 18 N 0.41 0.46 0.00 1.25 4.39 -1.31 -0.54 114.58 119.25 1f9a h GLU 18 Ca 0.29 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 1f9a h GLU 18 Cb 0.33 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1f9a h GLU 18 CO -0.28 0.78 -0.02 -0.24 -1.16 0.00 0.00 179.01 178.09 1f9a h VAL 19 N 0.14 0.65 0.13 3.13 3.04 -1.27 -0.37 116.25 121.69 1f9a h VAL 19 Ca 0.04 -0.06 -0.28 0.00 -1.01 0.00 0.00 66.70 65.39 1f9a h VAL 19 Cb 0.67 1.04 0.00 0.00 -2.01 0.00 0.00 31.29 31.00 1f9a h VAL 19 CO 0.04 0.02 -1.25 0.40 -1.01 0.00 0.00 177.57 175.77 1f9a h ILE 20 N 0.00 1.49 -0.17 3.17 2.04 -0.49 -1.25 117.51 122.30 1f9a h ILE 20 Ca -0.00 -3.06 -0.16 0.00 1.00 0.00 0.00 64.86 62.63 1f9a h ILE 20 Cb 0.04 2.94 -0.01 0.00 -0.74 0.00 0.00 36.82 39.06 1f9a h ILE 20 CO 0.00 0.89 -0.57 0.11 0.00 0.00 0.00 178.15 178.58 1f9a h LYS 21 N 0.07 0.52 0.51 2.37 1.57 -0.48 -0.63 116.57 120.51 1f9a h LYS 21 Ca -0.14 -0.34 -0.02 0.00 -1.87 0.00 0.00 60.65 58.28 1f9a h LYS 21 Cb 1.97 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 34.33 1f9a h LYS 21 CO 0.20 0.95 -0.28 -0.22 -0.57 0.00 0.00 179.45 179.53 1f9a h LYS 22 N 0.40 -0.71 -0.52 3.15 1.63 -0.95 -2.11 116.57 117.46 1f9a h LYS 22 Ca 0.00 0.05 0.10 0.00 -0.85 0.00 0.00 60.65 59.95 1f9a h LYS 22 Cb 1.12 0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 32.88 1f9a h LYS 22 CO 0.11 -0.47 0.36 0.82 -3.45 0.00 0.00 179.45 176.81 1f9a h ILE 23 N -0.74 0.86 0.00 2.00 2.04 -0.92 -0.57 117.51 120.19 1f9a h ILE 23 Ca -0.06 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1f9a h ILE 23 Cb 0.59 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1f9a h ILE 23 CO 0.09 0.05 0.00 0.00 0.00 0.00 0.00 178.15 178.28 1f9a h ALA 24 N 1.74 1.00 0.00 1.87 0.00 -0.44 -0.41 119.26 123.01 1f9a h ALA 24 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1f9a h ALA 24 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1f9a h ALA 24 CO -0.05 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.59 1f9a n GLU 25 N -2.63 0.37 -0.00 0.00 1.02 -0.22 -3.53 120.64 115.65 1f9a n GLU 25 Ca 0.01 0.03 0.03 0.00 -0.02 0.00 0.00 57.16 57.21 1f9a n GLU 25 Cb 0.26 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.13 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 -1.30 2.20 -3.87 3.49 1.02 -0.19 -5.06 120.64 116.94 1f9a n GLU 26 Ca 0.13 -0.04 -0.11 0.00 -0.02 0.00 0.00 57.16 57.12 1f9a n GLU 26 Cb 0.22 -1.01 -0.10 0.00 -0.02 0.00 0.00 31.44 30.54 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 -2.11 0.09 0.13 2.62 0.11 -1.04 -5.00 120.40 115.20 1f9a s VAL 27 Ca -0.00 -0.73 -0.06 0.00 -2.93 0.00 0.00 61.98 58.26 1f9a s VAL 27 Cb 0.05 -0.52 -0.16 0.00 -1.53 0.00 0.00 36.38 34.21 1f9a s VAL 27 CO 0.28 -0.40 1.33 0.44 -3.33 0.00 0.00 175.10 173.41 1f9a h ASP 28 N 4.12 0.63 -5.19 3.54 3.32 -1.55 -3.42 116.42 117.87 1f9a h ASP 28 Ca -0.31 -0.46 -0.12 0.00 0.02 0.00 0.00 57.03 56.16 1f9a h ASP 28 Cb 1.19 -0.19 -0.16 0.00 0.22 0.00 0.00 39.33 40.40 1f9a h ASP 28 CO 0.42 1.25 -0.62 -1.61 -1.72 0.00 0.00 179.24 176.95 1f9a s GLU 29 N -3.44 0.61 -0.14 3.56 2.02 -0.94 -4.36 118.70 116.02 1f9a s GLU 29 Ca -0.07 -1.08 -0.02 0.00 0.02 0.00 0.00 54.97 53.83 1f9a s GLU 29 Cb 0.09 0.22 0.04 0.00 0.10 0.00 0.00 34.13 34.58 1f9a s GLU 29 CO 0.87 -0.13 -0.00 0.42 0.02 0.00 0.00 175.26 176.44 1f9a s ILE 30 N -3.54 0.63 -0.12 -1.63 1.01 -0.46 -0.59 121.20 116.50 1f9a s ILE 30 Ca 0.03 -0.30 -0.30 0.00 0.00 0.00 0.00 60.65 60.08 1f9a s ILE 30 Cb 0.05 -0.90 -0.01 0.00 0.01 0.00 0.00 42.46 41.60 1f9a s ILE 30 CO -0.09 0.08 1.08 -0.63 0.00 0.00 0.00 174.94 175.38 1f9a s ILE 31 N 1.84 4.60 -0.63 2.92 1.09 -0.32 -1.62 121.20 129.09 1f9a s ILE 31 Ca 0.02 1.90 -0.09 0.00 -1.10 0.00 0.00 60.65 61.38 1f9a s ILE 31 Cb -0.15 -4.22 0.16 0.00 -1.06 0.00 0.00 42.46 37.20 1f9a s ILE 31 CO -0.07 -0.04 0.51 -0.63 -0.10 0.00 0.00 174.94 174.61 1f9a s ILE 32 N 2.36 4.53 -0.25 2.92 1.01 0.99 -1.94 121.20 130.82 1f9a s ILE 32 Ca 0.50 -2.34 -0.28 0.00 0.00 0.00 0.00 60.65 58.52 1f9a s ILE 32 Cb -0.19 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 1f9a s ILE 32 CO 0.17 -0.89 1.98 -0.83 0.00 0.00 0.00 174.94 175.37 1f9a s GLY 33 N 1.95 0.75 -0.65 6.18 0.00 -0.02 -0.13 107.32 115.40 1f9a s GLY 33 Ca 0.13 0.58 -0.18 0.00 0.00 0.00 0.00 44.72 45.25 1f9a s GLY 33 CO -0.04 3.49 0.75 -0.42 0.00 0.00 0.00 173.10 176.88 1f9a s ILE 34 N 7.20 4.93 0.55 0.90 1.01 0.40 -1.96 121.20 134.24 1f9a s ILE 34 Ca 0.89 -1.26 -0.03 0.00 0.00 0.00 0.00 60.65 60.24 1f9a s ILE 34 Cb -0.29 -4.51 0.01 0.00 0.01 0.00 0.00 42.46 37.68 1f9a s ILE 34 CO 0.34 -1.14 0.83 -0.83 0.00 0.00 0.00 174.94 174.14 1f9a s GLY 35 N 3.46 1.63 -1.36 6.18 0.00 -0.11 0.46 107.32 117.57 1f9a s GLY 35 Ca 0.14 -0.91 -0.06 0.00 0.00 0.00 0.00 44.72 43.89 1f9a s GLY 35 CO 0.03 -0.65 0.98 1.44 0.00 0.00 0.00 173.10 174.89 1f9a n SER 36 N -2.43 -3.80 0.21 1.64 7.64 -0.76 -4.53 113.62 111.59 1f9a n SER 36 Ca 0.04 -0.69 0.09 0.00 1.01 0.00 0.00 58.87 59.32 1f9a n SER 36 Cb 0.58 -4.51 0.43 0.00 -1.01 0.00 0.00 64.21 59.70 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 0.94 1.02 -0.00 -0.43 0.00 -1.57 0.26 119.26 119.48 1f9a h ALA 37 Ca -0.59 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1f9a h ALA 37 Cb 1.36 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1f9a h ALA 37 CO 0.58 0.33 -0.10 0.00 0.00 0.00 0.00 179.25 180.06 1f9a n GLN 38 N -3.44 0.69 -3.07 0.00 0.00 -1.26 -3.73 117.38 106.56 1f9a n GLN 38 Ca -0.00 -0.22 -0.40 0.00 0.00 0.00 0.00 57.00 56.37 1f9a n GLN 38 Cb 0.45 -1.50 -0.05 0.00 0.00 0.00 0.00 30.24 29.14 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 -2.46 4.30 0.22 2.61 1.02 0.08 -5.03 119.74 120.47 1f9a s LYS 39 Ca 0.29 0.75 -0.20 0.00 0.02 0.00 0.00 55.97 56.83 1f9a s LYS 39 Cb 0.20 -3.53 0.04 0.00 -0.52 0.00 0.00 37.83 34.02 1f9a s LYS 39 CO 0.47 -0.14 0.61 -1.54 -0.92 0.00 0.00 175.35 173.83 1f9a s SER 40 N 1.03 -0.34 -1.43 2.83 1.04 -1.23 -4.64 113.70 110.96 1f9a s SER 40 Ca 0.33 -0.41 -0.08 0.00 0.48 0.00 0.00 55.95 56.27 1f9a s SER 40 Cb -0.16 0.64 0.05 0.00 0.10 0.00 0.00 66.02 66.64 1f9a s SER 40 CO 0.13 -1.13 0.92 1.41 0.98 0.00 0.00 173.24 175.55 1f9a n HIS 41 N -0.39 -2.25 -4.33 5.02 8.25 -0.40 -4.86 115.22 116.25 1f9a n HIS 41 Ca -0.10 0.90 -0.17 0.00 -0.26 0.00 0.00 57.72 58.09 1f9a n HIS 41 Cb 0.62 -4.28 -0.10 0.00 1.12 0.00 0.00 29.99 27.35 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 -3.42 0.89 0.00 1.59 2.01 -0.69 -4.98 115.64 111.05 1f9a s THR 42 Ca 0.42 -2.01 0.21 0.00 0.31 0.00 0.00 61.69 60.61 1f9a s THR 42 Cb -0.21 -2.44 0.18 0.00 0.01 0.00 0.00 72.50 70.04 1f9a s THR 42 CO 0.81 -0.23 1.68 -0.07 -0.69 0.00 0.00 174.62 176.12 1f9a h LEU 43 N 2.44 0.00 0.03 4.42 3.38 -1.94 -2.80 115.31 120.84 1f9a h LEU 43 Ca -0.38 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.32 1f9a h LEU 43 Cb 1.23 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.99 1f9a h LEU 43 CO 0.64 0.31 -1.16 -0.33 0.09 0.00 0.00 178.44 177.99 1f9a h GLU 44 N 0.00 0.44 -3.32 1.13 4.39 -2.00 -3.42 114.58 111.81 1f9a h GLU 44 Ca -0.00 -0.60 -0.62 0.00 0.34 0.00 0.00 59.36 58.48 1f9a h GLU 44 Cb 0.98 0.20 -0.40 0.00 -0.10 0.00 0.00 28.75 29.43 1f9a h GLU 44 CO 0.04 1.24 -0.72 -0.80 -1.16 0.00 0.00 179.01 177.62 1f9a s ASN 45 N -7.24 3.96 0.01 1.42 0.01 -1.07 -4.91 114.94 107.12 1f9a s ASN 45 Ca -0.06 -2.52 0.04 0.00 -0.71 0.00 0.00 52.86 49.61 1f9a s ASN 45 Cb 0.07 -1.20 -0.24 0.00 0.41 0.00 0.00 41.25 40.29 1f9a s ASN 45 CO 0.90 -0.29 0.88 1.55 -1.51 0.00 0.00 177.10 178.62 1f9a h PRO 46 N 6.97 0.11 -6.35 -0.60 0.13 -1.77 -1.46 132.00 129.02 1f9a h PRO 46 Ca -0.05 -0.19 -0.66 0.00 -0.87 0.00 0.00 66.00 64.23 1f9a h PRO 46 Cb 0.94 0.07 -0.14 0.00 0.13 0.00 0.00 31.00 32.00 1f9a h PRO 46 CO 0.53 0.89 -0.69 -0.06 -0.23 0.00 0.00 178.00 178.44 1f9a s PHE 47 N -2.63 2.92 0.99 1.56 0.40 -1.26 -1.28 117.98 118.68 1f9a s PHE 47 Ca -0.06 -0.04 -0.12 0.00 -0.60 0.00 0.00 56.93 56.11 1f9a s PHE 47 Cb 0.08 -1.55 0.19 0.00 0.51 0.00 0.00 43.02 42.24 1f9a s PHE 47 CO 0.83 0.44 1.08 0.99 0.70 0.00 0.00 175.22 179.26 1f9a s THR 48 N -1.17 2.27 0.14 0.64 2.01 -1.26 -4.50 115.64 113.77 1f9a s THR 48 Ca 0.22 0.09 -0.16 0.00 0.31 0.00 0.00 61.69 62.14 1f9a s THR 48 Cb -0.11 -2.46 -0.00 0.00 0.01 0.00 0.00 72.50 69.94 1f9a s THR 48 CO 0.13 -0.11 1.71 0.00 -0.69 0.00 0.00 174.62 175.66 1f9a h ALA 49 N -1.93 0.51 -0.76 7.40 0.00 -1.86 -2.14 119.26 120.48 1f9a h ALA 49 Ca -0.54 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.25 1f9a h ALA 49 Cb 1.31 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 1f9a h ALA 49 CO 0.54 0.07 0.41 0.78 0.00 0.00 0.00 179.25 181.05 1f9a h GLY 50 N 0.50 1.14 1.01 0.00 0.00 -1.93 0.16 103.07 103.95 1f9a h GLY 50 Ca 0.14 -0.52 0.01 0.00 0.00 0.00 0.00 47.33 46.95 1f9a h GLY 50 CO -0.02 0.50 0.57 0.83 0.00 0.00 0.00 176.54 178.42 1f9a h GLU 51 N 1.07 1.15 -0.01 4.80 5.08 -1.89 -2.35 114.58 122.43 1f9a h GLU 51 Ca 0.27 -0.07 -0.20 0.00 -1.00 0.00 0.00 59.36 58.36 1f9a h GLU 51 Cb 0.05 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 1f9a h GLU 51 CO -0.04 0.77 -0.85 0.00 -1.00 0.00 0.00 179.01 177.88 1f9a h ARG 52 N 1.18 0.26 -0.43 2.33 3.08 -0.68 -0.86 114.38 119.25 1f9a h ARG 52 Ca 0.32 -0.27 -0.11 0.00 0.07 0.00 0.00 59.98 59.99 1f9a h ARG 52 Cb -0.12 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1f9a h ARG 52 CO -0.07 0.97 -0.18 0.82 -1.07 0.00 0.00 179.97 180.44 1f9a h ILE 53 N 0.15 1.27 -0.05 2.04 2.04 -0.59 -1.58 117.51 120.79 1f9a h ILE 53 Ca -0.05 -1.29 -0.16 0.00 1.00 0.00 0.00 64.86 64.36 1f9a h ILE 53 Cb 1.47 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 1f9a h ILE 53 CO 0.14 0.44 -0.70 0.25 0.00 0.00 0.00 178.15 178.28 1f9a h LEU 54 N 0.74 0.28 -1.04 1.44 5.85 -1.28 -2.31 115.31 118.98 1f9a h LEU 54 Ca 0.11 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1f9a h LEU 54 Cb 0.70 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 1f9a h LEU 54 CO 0.05 0.89 0.59 0.24 -0.34 0.00 0.00 178.44 179.87 1f9a h MET 55 N 0.16 1.24 0.13 1.25 2.86 -0.72 -1.70 114.93 118.15 1f9a h MET 55 Ca -0.02 -0.09 -0.31 0.00 -2.06 0.00 0.00 59.70 57.22 1f9a h MET 55 Cb 1.24 -0.27 -0.00 0.00 0.06 0.00 0.00 31.60 32.63 1f9a h MET 55 CO 0.11 0.84 -1.49 0.82 1.06 0.00 0.00 176.91 178.25 1f9a h ILE 56 N 1.27 1.21 -0.19 -1.22 2.04 -1.31 -3.00 117.51 116.31 1f9a h ILE 56 Ca 0.34 -2.82 -0.09 0.00 1.00 0.00 0.00 64.86 63.29 1f9a h ILE 56 Cb -0.10 2.81 -0.00 0.00 -0.74 0.00 0.00 36.82 38.79 1f9a h ILE 56 CO -0.07 0.83 -0.23 0.74 0.00 0.00 0.00 178.15 179.42 1f9a h THR 57 N 0.08 1.34 0.00 -0.27 2.02 -1.43 -1.66 112.91 112.98 1f9a h THR 57 Ca -0.23 -1.42 -0.08 0.00 0.77 0.00 0.00 66.41 65.44 1f9a h THR 57 Cb 2.02 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 70.25 1f9a h THR 57 CO 0.18 0.43 -0.40 1.56 0.37 0.00 0.00 175.52 177.66 1f9a h GLN 58 N 0.14 0.00 0.00 6.66 1.08 -1.41 -1.05 115.11 120.54 1f9a h GLN 58 Ca 0.02 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1f9a h GLN 58 Cb 0.79 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.22 1f9a h GLN 58 CO 0.05 0.40 -0.05 0.77 -0.95 0.00 0.00 178.83 179.06 1f9a h SER 59 N 0.00 0.00 0.00 1.46 0.02 -1.22 -3.36 113.55 110.45 1f9a h SER 59 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1f9a h SER 59 Cb 0.83 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.37 1f9a h SER 59 CO 0.05 0.05 -1.43 0.18 -1.14 0.00 0.00 176.83 174.54 1f9a n LEU 60 N -3.11 0.16 0.27 5.07 4.77 -0.51 -4.69 117.00 118.95 1f9a n LEU 60 Ca 0.03 -0.12 0.18 0.00 -0.03 0.00 0.00 56.01 56.07 1f9a n LEU 60 Cb 0.53 0.00 0.93 0.00 -2.33 0.00 0.00 43.42 42.55 1f9a n LEU 60 CO 0.34 0.04 1.15 0.07 -1.33 0.00 0.00 177.39 177.66 1f9a h LYS 61 N 0.00 0.00 -0.27 3.23 2.10 -1.41 -2.24 116.57 117.98 1f9a h LYS 61 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1f9a h LYS 61 Cb 0.59 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 1f9a h LYS 61 CO 0.00 0.00 0.00 -3.47 -2.00 0.00 0.00 179.45 173.98 1f9a n ASP 62 N -3.57 2.87 -4.86 7.07 -0.08 -1.26 -4.91 116.55 111.81 1f9a n ASP 62 Ca -0.01 -1.84 -0.31 0.00 -1.51 0.00 0.00 54.79 51.12 1f9a n ASP 62 Cb 0.23 -0.18 0.01 0.00 2.34 0.00 0.00 41.12 43.52 1f9a n ASP 62 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1f9a s TYR 63 N -1.17 3.57 -0.75 -0.67 1.51 -0.84 -5.02 117.35 113.96 1f9a s TYR 63 Ca 0.27 1.32 -0.18 0.00 -1.01 0.00 0.00 57.07 57.47 1f9a s TYR 63 Cb 0.16 -2.74 0.14 0.00 -0.11 0.00 0.00 41.96 39.40 1f9a s TYR 63 CO 0.22 -0.71 0.86 0.16 -1.11 0.00 0.00 175.55 174.96 1f9a s ASP 64 N -4.04 6.46 -0.05 2.29 1.47 -1.26 -5.01 116.67 116.53 1f9a s ASP 64 Ca 0.56 -1.91 -0.03 0.00 1.18 0.00 0.00 52.55 52.35 1f9a s ASP 64 Cb -0.11 -2.31 0.02 0.00 -0.34 0.00 0.00 42.92 40.18 1f9a s ASP 64 CO 0.52 -0.98 0.11 -0.76 0.68 0.00 0.00 175.17 174.74 1f9a s LEU 65 N 2.12 1.20 -0.26 2.11 1.43 -1.26 -5.12 118.68 118.89 1f9a s LEU 65 Ca 0.20 0.23 -0.09 0.00 -1.03 0.00 0.00 54.13 53.44 1f9a s LEU 65 Cb -0.15 0.32 -0.04 0.00 0.03 0.00 0.00 46.19 46.36 1f9a s LEU 65 CO -0.02 -0.09 0.13 -0.89 0.23 0.00 0.00 176.35 175.71 1f9a s THR 66 N 0.60 4.86 0.28 5.49 2.01 -1.26 -5.04 115.64 122.58 1f9a s THR 66 Ca -0.05 0.01 0.02 0.00 0.31 0.00 0.00 61.69 61.99 1f9a s THR 66 Cb -0.06 -3.29 -0.03 0.00 0.01 0.00 0.00 72.50 69.13 1f9a s THR 66 CO -0.03 0.31 0.26 -0.72 -0.69 0.00 0.00 174.62 173.76 1f9a s TYR 67 N 1.55 1.37 -0.32 4.92 -0.85 -1.26 -1.35 117.35 121.41 1f9a s TYR 67 Ca 0.06 -1.46 0.03 0.00 -0.52 0.00 0.00 57.07 55.19 1f9a s TYR 67 Cb -0.15 -0.52 0.17 0.00 0.38 0.00 0.00 41.96 41.84 1f9a s TYR 67 CO 0.07 -0.83 0.44 0.71 -1.52 0.00 0.00 175.55 174.42 1f9a s TYR 68 N -3.68 -1.04 -0.60 -3.49 1.51 -0.64 -4.94 117.35 104.47 1f9a s TYR 68 Ca 0.38 0.18 -0.27 0.00 -1.01 0.00 0.00 57.07 56.35 1f9a s TYR 68 Cb 0.03 -0.11 0.03 0.00 -0.11 0.00 0.00 41.96 41.81 1f9a s TYR 68 CO 0.20 -1.01 1.15 -1.25 -1.11 0.00 0.00 175.55 173.52 1f9a s PRO 69 N 2.30 3.43 -0.12 -1.71 0.04 -1.26 -0.01 135.00 137.68 1f9a s PRO 69 Ca 0.12 0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.22 1f9a s PRO 69 Cb -0.12 -4.05 0.02 0.00 0.04 0.00 0.00 34.50 30.40 1f9a s PRO 69 CO -0.23 -1.70 -0.10 0.42 0.04 0.00 0.00 177.00 175.43 1f9a s ILE 70 N 4.84 1.18 0.24 0.56 1.01 0.82 -4.96 121.20 124.88 1f9a s ILE 70 Ca 0.39 -0.39 -0.30 0.00 0.00 0.00 0.00 60.65 60.35 1f9a s ILE 70 Cb -0.09 -1.15 -0.10 0.00 0.01 0.00 0.00 42.46 41.13 1f9a s ILE 70 CO 0.23 0.39 1.46 -2.16 0.00 0.00 0.00 174.94 174.86 1f9a s PRO 71 N 1.56 4.25 -0.16 2.79 0.04 -1.26 -0.45 135.00 141.77 1f9a s PRO 71 Ca 0.03 2.32 0.00 0.00 0.04 0.00 0.00 61.00 63.40 1f9a s PRO 71 Cb -0.13 -3.11 0.03 0.00 0.04 0.00 0.00 34.50 31.33 1f9a s PRO 71 CO -0.08 -0.45 -0.12 0.42 0.04 0.00 0.00 177.00 176.81 1f9a s ILE 72 N 0.14 1.54 0.84 0.56 1.01 0.17 -4.81 121.20 120.65 1f9a s ILE 72 Ca 0.61 -0.74 -0.10 0.00 0.00 0.00 0.00 60.65 60.41 1f9a s ILE 72 Cb -0.42 -1.53 0.10 0.00 0.01 0.00 0.00 42.46 40.62 1f9a s ILE 72 CO 0.42 0.34 1.12 -0.54 0.00 0.00 0.00 174.94 176.27 1f9a s LYS 73 N 1.48 1.66 -0.37 2.79 1.02 -1.26 -1.83 119.74 123.22 1f9a s LYS 73 Ca 0.03 1.34 -0.27 0.00 0.02 0.00 0.00 55.97 57.09 1f9a s LYS 73 Cb -0.14 -1.82 0.02 0.00 -0.52 0.00 0.00 37.83 35.37 1f9a s LYS 73 CO -0.10 -2.12 0.98 -0.51 -0.92 0.00 0.00 175.35 172.69 1f9a s ASP 74 N -3.06 6.73 0.28 2.83 1.01 -1.26 -4.63 116.67 118.56 1f9a s ASP 74 Ca 0.64 0.67 0.06 0.00 0.71 0.00 0.00 52.55 54.63 1f9a s ASP 74 Cb -0.20 -2.49 -0.03 0.00 1.01 0.00 0.00 42.92 41.22 1f9a s ASP 74 CO 0.57 -0.91 0.35 0.27 0.21 0.00 0.00 175.17 175.65 1f9a s ILE 75 N 3.63 4.55 -0.82 0.77 -4.36 -1.26 -5.02 121.20 118.70 1f9a s ILE 75 Ca 0.41 -1.13 0.02 0.00 -0.26 0.00 0.00 60.65 59.69 1f9a s ILE 75 Cb -0.11 -3.56 0.30 0.00 1.25 0.00 0.00 42.46 40.34 1f9a s ILE 75 CO 0.20 -0.27 1.21 -0.62 0.24 0.00 0.00 174.94 175.70 1f9a n GLU 76 N -1.42 3.81 -2.74 0.37 -0.58 -1.26 -4.80 120.64 114.01 1f9a n GLU 76 Ca -0.05 -4.69 -0.05 0.00 -0.42 0.00 0.00 57.16 51.94 1f9a n GLU 76 Cb 0.58 -2.36 0.03 0.00 -0.57 0.00 0.00 31.44 29.11 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 0.51 -3.20 -0.30 -0.32 -0.00 -1.26 -5.06 117.46 107.83 1f9a n PHE 77 Ca 0.33 -1.36 0.07 0.00 -0.00 0.00 0.00 57.45 56.48 1f9a n PHE 77 Cb 0.35 1.45 0.22 0.00 -0.00 0.00 0.00 39.48 41.50 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 4.54 0.56 -0.96 -2.13 2.35 -2.01 -2.61 115.58 115.31 1f9a h ASN 78 Ca -0.02 0.09 0.28 0.00 -0.55 0.00 0.00 56.30 56.09 1f9a h ASN 78 Cb 1.10 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 39.42 1f9a h ASN 78 CO 0.08 0.24 0.71 -1.28 -1.65 0.00 0.00 177.43 175.53 1f9a h SER 79 N 0.65 0.00 -0.07 5.81 0.87 -2.01 -2.66 113.55 116.14 1f9a h SER 79 Ca 0.46 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.02 1f9a h SER 79 Cb 0.62 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 1f9a h SER 79 CO -0.35 0.00 0.00 2.30 -0.53 0.00 0.00 176.83 178.25 1f9a n ILE 80 N -4.17 0.39 0.03 2.23 -5.35 -0.99 -4.73 119.36 106.77 1f9a n ILE 80 Ca 0.20 -0.69 0.00 0.00 -0.27 0.00 0.00 62.75 61.99 1f9a n ILE 80 Cb 1.04 0.88 0.31 0.00 -1.74 0.00 0.00 39.64 40.13 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 1.02 0.46 -0.68 4.28 7.01 -1.37 -0.67 115.95 126.00 1f9a h TRP 81 Ca 0.00 -0.05 -0.07 0.00 2.11 0.00 0.00 58.89 60.88 1f9a h TRP 81 Cb 0.37 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 27.27 1f9a h TRP 81 CO 0.04 0.51 0.17 0.28 -2.79 0.00 0.00 178.44 176.65 1f9a h VAL 82 N 0.41 1.26 -0.67 2.65 2.07 -1.85 -1.08 116.25 119.04 1f9a h VAL 82 Ca 0.08 -0.95 -0.06 0.00 0.82 0.00 0.00 66.70 66.60 1f9a h VAL 82 Cb 0.39 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1f9a h VAL 82 CO 0.02 0.36 0.20 -1.28 0.02 0.00 0.00 177.57 176.89 1f9a h SER 83 N 1.01 0.96 0.52 0.57 0.87 -1.76 0.13 113.55 115.86 1f9a h SER 83 Ca 0.21 -0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1f9a h SER 83 Cb 0.37 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 1f9a h SER 83 CO 0.00 0.91 -0.48 0.22 -0.53 0.00 0.00 176.83 176.95 1f9a h TYR 84 N 0.99 -1.32 -0.85 2.24 3.20 -0.78 0.10 116.97 120.56 1f9a h TYR 84 Ca 0.22 0.01 0.21 0.00 3.14 0.00 0.00 58.73 62.30 1f9a h TYR 84 Cb 0.30 0.51 -0.13 0.00 1.54 0.00 0.00 36.73 38.95 1f9a h TYR 84 CO 0.02 -0.65 0.29 0.28 -1.64 0.00 0.00 178.16 176.46 1f9a h VAL 85 N -0.99 0.43 -0.39 1.81 2.07 -0.81 -1.68 116.25 116.70 1f9a h VAL 85 Ca -0.07 -0.10 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 1f9a h VAL 85 Cb 0.84 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1f9a h VAL 85 CO -0.03 0.06 -0.02 -0.33 0.02 0.00 0.00 177.57 177.26 1f9a h GLU 86 N 0.30 0.62 -0.87 1.57 5.08 -0.66 -2.34 114.58 118.28 1f9a h GLU 86 Ca 0.52 -0.15 0.05 0.00 -1.00 0.00 0.00 59.36 58.78 1f9a h GLU 86 Cb 1.00 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.11 1f9a h GLU 86 CO -0.57 0.65 0.57 0.77 -1.00 0.00 0.00 179.01 179.44 1f9a h SER 87 N 0.59 0.89 0.18 1.42 0.02 0.15 -3.23 113.55 113.57 1f9a h SER 87 Ca 0.12 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1f9a h SER 87 Cb 0.40 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1f9a h SER 87 CO 0.02 0.59 -0.24 0.18 -1.14 0.00 0.00 176.83 176.24 1f9a n LEU 88 N -4.47 1.20 -4.01 5.07 4.77 -0.90 -5.00 117.00 113.66 1f9a n LEU 88 Ca 0.12 -0.34 -0.13 0.00 -0.03 0.00 0.00 56.01 55.63 1f9a n LEU 88 Cb 0.16 -0.09 -0.12 0.00 -2.33 0.00 0.00 43.42 41.03 1f9a n LEU 88 CO 0.34 0.22 -0.39 0.42 -1.33 0.00 0.00 177.39 176.64 1f9a s THR 89 N -2.43 0.42 0.41 -5.08 -4.23 -1.11 -5.05 115.64 98.57 1f9a s THR 89 Ca 0.26 -0.73 -0.24 0.00 -1.18 0.00 0.00 61.69 59.80 1f9a s THR 89 Cb 0.19 -0.45 -0.11 0.00 1.34 0.00 0.00 72.50 73.47 1f9a s THR 89 CO 0.50 -0.22 0.92 -2.65 -0.54 0.00 0.00 174.62 172.63 1f9a n PRO 90 N 2.03 1.17 -1.70 3.99 -0.02 -1.26 -4.86 135.00 134.36 1f9a n PRO 90 Ca -0.19 0.42 -0.43 0.00 -2.02 0.00 0.00 63.50 61.28 1f9a n PRO 90 Cb 0.56 -1.92 -0.02 0.00 -0.02 0.00 0.00 33.50 32.10 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 0.24 2.37 -4.29 0.52 -0.02 -1.26 -5.01 135.00 127.55 1f9a n PRO 91 Ca 0.10 0.84 -0.18 0.00 -2.02 0.00 0.00 63.50 62.24 1f9a n PRO 91 Cb 0.39 -2.58 -0.11 0.00 -0.02 0.00 0.00 33.50 31.18 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 0.18 1.53 -0.04 6.00 -0.12 -1.26 -4.74 117.98 119.54 1f9a s PHE 92 Ca 0.68 -0.58 0.09 0.00 -0.05 0.00 0.00 56.93 57.08 1f9a s PHE 92 Cb -0.58 -0.76 -0.14 0.00 -0.63 0.00 0.00 43.02 40.90 1f9a s PHE 92 CO 0.46 0.22 0.16 -0.25 -0.05 0.00 0.00 175.22 175.77 1f9a n ASP 93 N 0.12 2.71 -3.89 1.98 8.00 0.71 -4.95 116.55 121.23 1f9a n ASP 93 Ca -0.12 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.24 1f9a n ASP 93 Cb 0.59 1.22 -0.14 0.00 -0.02 0.00 0.00 41.12 42.76 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 -2.54 0.15 -0.17 0.53 1.01 -1.05 -4.19 121.20 114.93 1f9a s ILE 94 Ca -0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 60.65 60.51 1f9a s ILE 94 Cb 0.05 -0.15 -0.02 0.00 0.01 0.00 0.00 42.46 42.35 1f9a s ILE 94 CO 0.40 0.06 -0.03 -0.69 0.00 0.00 0.00 174.94 174.68 1f9a s VAL 95 N 0.09 3.81 -0.31 2.92 1.01 -0.50 -0.79 120.40 126.65 1f9a s VAL 95 Ca -0.01 -0.37 -0.12 0.00 0.00 0.00 0.00 61.98 61.48 1f9a s VAL 95 Cb -0.02 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 1f9a s VAL 95 CO -0.00 0.47 0.21 -0.31 0.00 0.00 0.00 175.10 175.46 1f9a s TYR 96 N 0.67 3.22 -0.22 5.22 1.51 -0.54 -0.70 117.35 126.51 1f9a s TYR 96 Ca -0.02 -0.06 -0.27 0.00 -1.01 0.00 0.00 57.07 55.71 1f9a s TYR 96 Cb -0.14 -2.42 0.12 0.00 -0.11 0.00 0.00 41.96 39.41 1f9a s TYR 96 CO 0.02 -0.26 0.98 0.45 -1.11 0.00 0.00 175.55 175.63 1f9a s SER 97 N 1.74 -0.44 0.00 2.29 0.15 -0.47 -4.56 113.70 112.40 1f9a s SER 97 Ca 0.06 0.70 0.18 0.00 0.70 0.00 0.00 55.95 57.59 1f9a s SER 97 Cb -0.17 0.66 0.28 0.00 -1.71 0.00 0.00 66.02 65.08 1f9a s SER 97 CO 0.10 -0.26 1.20 0.61 1.20 0.00 0.00 173.24 176.10 1f9a n GLY 98 N 1.57 1.25 3.63 9.45 0.00 -1.26 -4.01 105.19 115.82 1f9a n GLY 98 Ca -0.12 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.31 6.56 0.38 1.61 2.47 -1.26 -4.92 114.94 118.47 1f9a s ASN 99 Ca 0.28 1.48 0.19 0.00 0.42 0.00 0.00 52.86 55.22 1f9a s ASN 99 Cb 0.17 -2.54 1.15 0.00 -1.45 0.00 0.00 41.25 38.58 1f9a s ASN 99 CO 0.24 -1.13 1.70 -0.65 -3.72 0.00 0.00 177.10 173.54 1f9a h PRO 100 N 9.87 0.31 0.03 0.43 0.11 -1.98 -1.53 132.00 139.24 1f9a h PRO 100 Ca -0.30 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.79 1f9a h PRO 100 Cb 1.13 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1f9a h PRO 100 CO 1.01 0.21 -0.01 1.25 -0.21 0.00 0.00 178.00 180.24 1f9a h LEU 101 N 0.32 -0.04 -0.71 2.35 5.85 -1.99 -0.22 115.31 120.87 1f9a h LEU 101 Ca 0.70 -0.58 0.16 0.00 0.84 0.00 0.00 57.88 58.99 1f9a h LEU 101 Cb 1.77 0.01 -0.12 0.00 0.37 0.00 0.00 40.66 42.69 1f9a h LEU 101 CO -0.44 0.58 0.02 0.58 -0.34 0.00 0.00 178.44 178.84 1f9a h VAL 102 N -0.68 0.40 -0.34 1.05 2.07 -1.95 -0.95 116.25 115.86 1f9a h VAL 102 Ca -0.00 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1f9a h VAL 102 Cb 0.61 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1f9a h VAL 102 CO 0.01 0.02 0.16 -0.09 0.02 0.00 0.00 177.57 177.69 1f9a h ARG 103 N 0.12 0.49 -0.25 1.57 2.43 -1.17 -2.11 114.38 115.46 1f9a h ARG 103 Ca 0.39 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.43 1f9a h ARG 103 Cb 0.66 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1f9a h ARG 103 CO -0.61 0.46 -0.05 0.28 -1.51 0.00 0.00 179.97 178.54 1f9a h VAL 104 N 0.41 1.18 0.12 0.20 2.07 -0.04 -1.83 116.25 118.37 1f9a h VAL 104 Ca 0.12 -0.76 -0.29 0.00 0.82 0.00 0.00 66.70 66.59 1f9a h VAL 104 Cb 0.14 1.06 0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1f9a h VAL 104 CO -0.01 0.25 -1.23 -0.07 0.02 0.00 0.00 177.57 176.52 1f9a h LEU 105 N 0.37 0.70 -0.07 2.57 3.38 -0.70 -1.62 115.31 119.94 1f9a h LEU 105 Ca 0.08 -0.67 -0.24 0.00 0.09 0.00 0.00 57.88 57.14 1f9a h LEU 105 Cb 0.34 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1f9a h LEU 105 CO 0.01 1.50 -1.05 -0.26 0.09 0.00 0.00 178.44 178.73 1f9a h PHE 106 N 0.20 0.56 -0.43 1.13 0.05 -1.36 -2.97 116.94 114.11 1f9a h PHE 106 Ca -0.17 -0.34 -0.08 0.00 3.82 0.00 0.00 57.97 61.20 1f9a h PHE 106 Cb 1.91 -0.05 -0.02 0.00 2.00 0.00 0.00 35.95 39.80 1f9a h PHE 106 CO 0.09 1.19 -0.05 0.93 -0.18 0.00 0.00 178.31 180.30 1f9a h GLU 107 N 0.17 0.74 0.00 1.51 5.08 -1.24 -1.13 114.58 119.71 1f9a h GLU 107 Ca -0.10 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.02 1f9a h GLU 107 Cb 1.72 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.89 1f9a h GLU 107 CO 0.18 0.78 -0.15 0.93 -1.00 0.00 0.00 179.01 179.75 1f9a h GLU 108 N 0.68 0.00 -0.73 2.33 5.08 -1.28 -0.28 114.58 120.38 1f9a h GLU 108 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1f9a h GLU 108 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1f9a h GLU 108 CO 0.03 0.15 0.00 0.54 -1.00 0.00 0.00 179.01 178.72 1f9a n ARG 109 N -3.37 3.08 -1.32 2.33 5.12 -0.54 -4.92 116.66 117.04 1f9a n ARG 109 Ca -0.00 -1.76 -0.09 0.00 -1.93 0.00 0.00 57.85 54.07 1f9a n ARG 109 Cb 0.35 -1.87 -0.04 0.00 -1.16 0.00 0.00 32.46 29.75 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 0.45 0.99 3.90 -0.13 0.00 -0.12 -5.06 105.19 105.22 1f9a n GLY 110 Ca 0.16 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.34 3.46 0.13 1.61 1.51 -0.56 -4.99 117.35 116.17 1f9a s TYR 111 Ca 0.00 0.70 -0.25 0.00 -1.01 0.00 0.00 57.07 56.51 1f9a s TYR 111 Cb 0.00 -2.13 -0.07 0.00 -0.11 0.00 0.00 41.96 39.64 1f9a s TYR 111 CO 0.00 0.23 0.77 -2.00 -1.11 0.00 0.00 175.55 173.44 1f9a s GLU 112 N -3.23 4.53 -0.04 -0.62 2.12 -1.26 -4.18 118.70 116.03 1f9a s GLU 112 Ca 0.45 1.11 0.02 0.00 0.36 0.00 0.00 54.97 56.91 1f9a s GLU 112 Cb -0.11 -3.29 0.01 0.00 0.26 0.00 0.00 34.13 31.00 1f9a s GLU 112 CO 0.27 0.49 -0.08 0.08 -0.54 0.00 0.00 175.26 175.48 1f9a s VAL 113 N -0.82 0.74 -0.02 3.70 1.01 -1.26 -1.40 120.40 122.35 1f9a s VAL 113 Ca 0.36 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 62.06 1f9a s VAL 113 Cb -0.22 -0.69 0.01 0.00 0.00 0.00 0.00 36.38 35.47 1f9a s VAL 113 CO 0.25 0.25 -0.06 -0.54 0.00 0.00 0.00 175.10 175.00 1f9a s LYS 114 N 0.44 0.62 0.08 2.72 1.02 0.12 -4.96 119.74 119.78 1f9a s LYS 114 Ca -0.07 -0.18 -0.31 0.00 0.02 0.00 0.00 55.97 55.44 1f9a s LYS 114 Cb -0.11 -0.62 -0.07 0.00 -0.52 0.00 0.00 37.83 36.51 1f9a s LYS 114 CO 0.01 0.06 1.30 1.03 -0.92 0.00 0.00 175.35 176.83 1f9a s ARG 115 N 0.26 4.37 0.74 1.68 0.52 -1.26 -1.36 118.95 123.89 1f9a s ARG 115 Ca -0.03 1.92 -0.11 0.00 -0.52 0.00 0.00 55.73 56.99 1f9a s ARG 115 Cb -0.07 -3.33 0.03 0.00 0.52 0.00 0.00 34.95 32.11 1f9a s ARG 115 CO -0.00 -0.37 1.09 -1.25 0.02 0.00 0.00 175.30 174.79 1f9a s PRO 116 N 1.22 2.58 0.29 3.54 0.04 -1.26 -4.91 135.00 136.50 1f9a s PRO 116 Ca 0.62 0.58 -0.28 0.00 0.04 0.00 0.00 61.00 61.96 1f9a s PRO 116 Cb -0.33 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.14 1f9a s PRO 116 CO 0.29 -1.26 0.95 -1.21 0.04 0.00 0.00 177.00 175.82 1f9a s GLU 117 N -5.25 4.69 0.01 4.56 2.02 -1.26 -4.94 118.70 118.53 1f9a s GLU 117 Ca 0.59 1.43 -0.19 0.00 0.02 0.00 0.00 54.97 56.82 1f9a s GLU 117 Cb -0.13 -3.02 -0.06 0.00 0.10 0.00 0.00 34.13 31.03 1f9a s GLU 117 CO 0.53 0.37 0.55 -1.64 0.02 0.00 0.00 175.26 175.09 1f9a s MET 118 N -1.66 4.23 -0.31 1.61 -1.94 -1.26 -4.77 119.30 115.20 1f9a s MET 118 Ca 0.46 0.66 0.00 0.00 -1.71 0.00 0.00 55.69 55.10 1f9a s MET 118 Cb -0.23 -3.30 0.07 0.00 2.01 0.00 0.00 34.83 33.38 1f9a s MET 118 CO 0.28 0.47 0.00 -0.06 -0.01 0.00 0.00 175.02 175.71 1f9a s PHE 119 N -0.50 3.38 -0.75 -0.03 0.40 -1.26 -4.83 117.98 114.38 1f9a s PHE 119 Ca 0.29 -2.22 -0.03 0.00 -0.60 0.00 0.00 56.93 54.37 1f9a s PHE 119 Cb -0.18 -2.32 0.00 0.00 0.51 0.00 0.00 43.02 41.03 1f9a s PHE 119 CO 0.16 -0.87 0.65 -1.71 0.70 0.00 0.00 175.22 174.16 1f9a n ASN 120 N 4.52 -3.64 0.00 1.36 5.15 -1.26 -4.65 115.26 116.74 1f9a n ASN 120 Ca -0.10 -0.33 0.09 0.00 -0.60 0.00 0.00 54.58 53.64 1f9a n ASN 120 Cb 0.43 -3.14 0.51 0.00 -0.53 0.00 0.00 39.78 37.05 1f9a n ASN 120 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1f9a n ARG 121 N -3.00 0.52 0.02 1.20 1.74 -1.26 -1.01 116.66 114.88 1f9a n ARG 121 Ca -0.06 0.01 -0.09 0.00 -0.77 0.00 0.00 57.85 56.94 1f9a n ARG 121 Cb 0.56 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.37 1f9a n ARG 121 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 1f9a h LYS 122 N 0.00 0.04 0.00 5.56 2.10 -2.00 -3.40 116.57 118.87 1f9a h LYS 122 Ca 0.00 -0.06 -0.38 0.00 -2.00 0.00 0.00 60.65 58.21 1f9a h LYS 122 Cb 0.01 0.02 -0.07 0.00 -0.90 0.00 0.00 32.23 31.30 1f9a h LYS 122 CO 0.00 0.78 -2.44 0.39 -2.00 0.00 0.00 179.45 176.19 1f9a n GLU 123 N -3.22 0.66 -2.35 0.07 1.02 -0.18 -4.78 120.64 111.86 1f9a n GLU 123 Ca -0.10 0.11 -0.42 0.00 -0.02 0.00 0.00 57.16 56.73 1f9a n GLU 123 Cb 1.01 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.90 1f9a n GLU 123 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1f9a n TYR 124 N -3.14 2.85 -3.73 -0.32 0.53 -0.76 -4.58 117.16 108.01 1f9a n TYR 124 Ca -0.42 -2.77 -0.12 0.00 -1.02 0.00 0.00 57.90 53.57 1f9a n TYR 124 Cb 1.03 -1.89 -0.11 0.00 -1.03 0.00 0.00 39.34 37.34 1f9a n TYR 124 CO 0.00 0.00 0.00 -1.54 -1.02 0.00 0.00 176.86 174.30 1f9a s SER 125 N 0.63 -0.40 0.23 7.72 1.04 -1.26 -4.58 113.70 117.08 1f9a s SER 125 Ca 0.40 0.74 -0.08 0.00 0.48 0.00 0.00 55.95 57.49 1f9a s SER 125 Cb 0.10 0.69 0.22 0.00 0.10 0.00 0.00 66.02 67.13 1f9a s SER 125 CO 0.00 -0.15 1.89 1.23 0.98 0.00 0.00 173.24 177.20 1f9a h GLY 126 N 6.31 1.22 0.61 7.32 0.00 -1.86 0.03 103.07 116.70 1f9a h GLY 126 Ca -0.32 -0.44 0.09 0.00 0.00 0.00 0.00 47.33 46.66 1f9a h GLY 126 CO 0.30 0.41 0.56 -0.84 0.00 0.00 0.00 176.54 176.98 1f9a h THR 127 N 1.13 0.99 -0.27 4.70 2.02 -1.96 -0.60 112.91 118.92 1f9a h THR 127 Ca 0.32 -0.33 -0.09 0.00 0.77 0.00 0.00 66.41 67.08 1f9a h THR 127 Cb -0.08 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.25 1f9a h THR 127 CO -0.09 0.18 -0.18 -0.08 0.37 0.00 0.00 175.52 175.73 1f9a h GLU 128 N 0.97 0.59 -0.96 6.66 4.57 -1.38 -2.71 114.58 122.31 1f9a h GLU 128 Ca 0.42 -0.28 0.07 0.00 -1.18 0.00 0.00 59.36 58.39 1f9a h GLU 128 Cb 0.30 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.82 1f9a h GLU 128 CO -0.22 0.86 0.62 0.82 -1.18 0.00 0.00 179.01 179.91 1f9a h ILE 129 N 0.32 1.08 0.05 2.32 2.04 -0.60 -2.12 117.51 120.60 1f9a h ILE 129 Ca 0.05 -0.38 -0.26 0.00 1.00 0.00 0.00 64.86 65.28 1f9a h ILE 129 Cb 0.71 -0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 1f9a h ILE 129 CO 0.05 0.20 -1.28 0.03 0.00 0.00 0.00 178.15 177.15 1f9a h ARG 130 N 1.11 0.12 -0.00 2.37 3.08 -1.19 0.42 114.38 120.28 1f9a h ARG 130 Ca 0.41 -0.20 -0.06 0.00 0.07 0.00 0.00 59.98 60.21 1f9a h ARG 130 Cb 0.19 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1f9a h ARG 130 CO -0.16 1.00 -0.26 -0.09 -1.07 0.00 0.00 179.97 179.39 1f9a h ARG 131 N 0.03 0.01 0.09 0.04 2.43 -1.34 0.09 114.38 115.74 1f9a h ARG 131 Ca -0.13 -0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.79 1f9a h ARG 131 Cb 1.91 -0.00 0.02 0.00 -0.42 0.00 0.00 29.97 31.48 1f9a h ARG 131 CO 0.15 0.27 -1.01 0.00 -1.51 0.00 0.00 179.97 177.86 1f9a h ARG 132 N 0.01 0.52 -0.76 0.20 3.08 -0.76 -2.19 114.38 114.48 1f9a h ARG 132 Ca -0.00 -0.68 0.11 0.00 0.07 0.00 0.00 59.98 59.48 1f9a h ARG 132 Cb 0.46 0.22 -0.08 0.00 0.08 0.00 0.00 29.97 30.66 1f9a h ARG 132 CO 0.03 1.29 0.38 0.52 -1.07 0.00 0.00 179.97 181.12 1f9a h MET 133 N 0.07 0.59 0.00 0.04 2.86 -0.47 -1.24 114.93 116.78 1f9a h MET 133 Ca -0.15 -0.04 -0.11 0.00 -2.06 0.00 0.00 59.70 57.34 1f9a h MET 133 Cb 1.72 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 33.23 1f9a h MET 133 CO 0.19 0.39 -0.54 1.25 1.06 0.00 0.00 176.91 179.26 1f9a h LEU 134 N 0.61 0.00 0.00 1.22 5.85 -1.02 -3.30 115.31 118.67 1f9a h LEU 134 Ca 0.39 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.11 1f9a h LEU 134 Cb 0.46 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1f9a h LEU 134 CO -0.30 0.54 -0.74 -1.13 -0.34 0.00 0.00 178.44 176.47 1f9a h ASN 135 N 0.00 0.00 0.00 1.25 -1.24 -0.79 -3.48 115.58 111.32 1f9a h ASN 135 Ca -0.01 -0.11 0.00 0.00 0.71 0.00 0.00 56.30 56.89 1f9a h ASN 135 Cb 1.08 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.13 1f9a h ASN 135 CO 0.07 0.05 0.00 0.61 -1.29 0.00 0.00 177.43 176.88 1f9a n GLY 136 N 1.25 1.93 3.55 1.57 0.00 -0.52 -5.06 105.19 107.91 1f9a n GLY 136 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1f9a n GLY 136 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1f9a n GLU 137 N -2.00 -0.07 -2.46 1.61 1.02 -1.05 -4.95 120.64 112.74 1f9a n GLU 137 Ca 0.00 0.04 -0.27 0.00 -0.02 0.00 0.00 57.16 56.91 1f9a n GLU 137 Cb 0.00 -2.12 0.01 0.00 -0.02 0.00 0.00 31.44 29.32 1f9a n GLU 137 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1f9a s LYS 138 N -3.79 3.29 0.00 3.49 2.47 -1.26 -4.27 119.74 119.66 1f9a s LYS 138 Ca 0.65 0.17 0.00 0.00 -1.56 0.00 0.00 55.97 55.24 1f9a s LYS 138 Cb -0.26 -2.30 0.00 0.00 -1.46 0.00 0.00 37.83 33.81 1f9a s LYS 138 CO 0.59 -0.45 0.00 -2.67 0.16 0.00 0.00 175.35 172.98 1f9a n TRP 139 N -2.45 0.00 0.52 4.03 4.27 -1.26 -4.85 117.44 117.71 1f9a n TRP 139 Ca 0.03 0.00 0.08 0.00 -3.89 0.00 0.00 57.50 53.71 1f9a n TRP 139 Cb 0.56 0.00 0.33 0.00 -1.36 0.00 0.00 31.31 30.84 1f9a n TRP 139 CO 0.00 0.00 0.00 0.39 -2.29 0.00 0.00 177.69 175.79 1f9a n GLU 140 N 0.00 0.01 -0.08 -2.67 1.02 -1.26 -1.54 120.64 116.12 1f9a n GLU 140 Ca 0.00 0.24 0.10 0.00 -0.02 0.00 0.00 57.16 57.48 1f9a n GLU 140 Cb 0.00 -1.52 0.13 0.00 -0.02 0.00 0.00 31.44 30.04 1f9a n GLU 140 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 1f9a n HIS 141 N -1.53 0.22 1.18 -0.32 1.44 -1.26 -3.66 115.22 111.29 1f9a n HIS 141 Ca 0.04 -0.13 0.12 0.00 -2.01 0.00 0.00 57.72 55.73 1f9a n HIS 141 Cb 0.18 -0.00 0.37 0.00 0.12 0.00 0.00 29.99 30.66 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 1.14 1.99 -4.04 2.39 4.77 -0.59 -4.99 117.00 117.67 1f9a n LEU 142 Ca 0.14 -0.76 -0.09 0.00 -0.03 0.00 0.00 56.01 55.27 1f9a n LEU 142 Cb 0.50 -0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 41.43 1f9a n LEU 142 CO 0.13 0.38 -0.23 0.68 -1.33 0.00 0.00 177.39 177.01 1f9a s VAL 143 N -1.85 0.14 0.41 4.08 -7.23 -1.24 -1.80 120.40 112.91 1f9a s VAL 143 Ca 0.35 -1.65 -0.23 0.00 -1.81 0.00 0.00 61.98 58.64 1f9a s VAL 143 Cb 0.20 -1.70 -0.13 0.00 0.56 0.00 0.00 36.38 35.31 1f9a s VAL 143 CO 0.30 -0.66 0.50 -2.65 -0.31 0.00 0.00 175.10 172.28 1f9a n PRO 144 N -0.04 0.50 -0.30 4.82 -0.02 -1.26 -4.79 135.00 133.91 1f9a n PRO 144 Ca -0.11 0.18 0.31 0.00 -2.02 0.00 0.00 63.50 61.87 1f9a n PRO 144 Cb 0.62 -1.43 0.69 0.00 -0.02 0.00 0.00 33.50 33.36 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 0.78 0.09 -0.01 -0.52 1.57 -1.99 0.78 116.57 117.27 1f9a h LYS 145 Ca -0.39 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.26 1f9a h LYS 145 Cb 1.40 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.68 1f9a h LYS 145 CO 0.51 0.06 -0.55 0.00 -0.57 0.00 0.00 179.45 178.91 1f9a h ALA 146 N 1.48 1.08 0.00 3.86 0.00 -1.89 0.12 119.26 123.91 1f9a h ALA 146 Ca 0.56 -0.50 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 1f9a h ALA 146 Cb 2.02 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.73 1f9a h ALA 146 CO -0.08 0.68 -0.69 0.28 0.00 0.00 0.00 179.25 179.45 1f9a h VAL 147 N 0.02 1.40 -0.20 0.00 2.07 0.32 0.44 116.25 120.30 1f9a h VAL 147 Ca -0.00 -2.12 0.04 0.00 0.82 0.00 0.00 66.70 65.44 1f9a h VAL 147 Cb 0.97 2.57 -0.07 0.00 -1.52 0.00 0.00 31.29 33.24 1f9a h VAL 147 CO 0.07 0.62 -0.48 0.58 0.02 0.00 0.00 177.57 178.39 1f9a h VAL 148 N -0.02 0.07 -0.76 2.57 2.07 -1.46 -1.14 116.25 117.59 1f9a h VAL 148 Ca -0.09 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.60 1f9a h VAL 148 Cb 1.39 0.07 -0.14 0.00 -1.52 0.00 0.00 31.29 31.10 1f9a h VAL 148 CO 0.14 0.00 -0.05 0.44 0.02 0.00 0.00 177.57 178.11 1f9a h ASP 149 N -0.50 -0.46 0.01 0.57 5.19 0.11 -2.42 116.42 118.93 1f9a h ASP 149 Ca 0.07 0.21 -0.00 0.00 -0.62 0.00 0.00 57.03 56.69 1f9a h ASP 149 Cb 0.64 0.38 0.00 0.00 0.18 0.00 0.00 39.33 40.54 1f9a h ASP 149 CO -0.46 -0.21 -0.01 0.58 -3.12 0.00 0.00 179.24 176.03 1f9a h VAL 150 N 0.07 1.24 0.00 -1.35 2.07 -0.05 -0.58 116.25 117.65 1f9a h VAL 150 Ca 0.40 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1f9a h VAL 150 Cb 0.69 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1f9a h VAL 150 CO -0.70 0.19 0.40 0.40 0.02 0.00 0.00 177.57 177.88 1f9a h ILE 151 N -0.34 0.00 0.02 4.57 2.04 -0.97 0.75 117.51 123.58 1f9a h ILE 151 Ca -0.00 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.72 1f9a h ILE 151 Cb 0.33 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1f9a h ILE 151 CO 0.00 0.00 -0.76 0.11 0.00 0.00 0.00 178.15 177.51 1f9a h LYS 152 N 0.00 0.04 -0.84 2.37 1.57 -0.62 0.09 116.57 119.18 1f9a h LYS 152 Ca 0.00 -0.06 0.21 0.00 -1.87 0.00 0.00 60.65 58.93 1f9a h LYS 152 Cb 0.80 0.02 -0.14 0.00 0.08 0.00 0.00 32.23 32.99 1f9a h LYS 152 CO 0.00 1.03 0.09 1.49 -0.57 0.00 0.00 179.45 181.50 1f9a h GLU 153 N -0.90 0.13 -0.03 3.15 4.81 0.10 -2.47 114.58 119.37 1f9a h GLU 153 Ca -0.20 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1f9a h GLU 153 Cb 1.25 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1f9a h GLU 153 CO -0.08 0.08 -0.00 0.44 -0.73 0.00 0.00 179.01 178.72 1f9a n ILE 154 N -5.32 0.00 -3.57 2.32 -5.35 -1.02 -4.94 119.36 101.48 1f9a n ILE 154 Ca 0.18 -0.50 -0.25 0.00 -0.27 0.00 0.00 62.75 61.92 1f9a n ILE 154 Cb 0.59 1.47 0.03 0.00 -1.74 0.00 0.00 39.64 40.00 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 1.26 -1.34 0.06 6.28 5.02 -0.93 -4.89 118.16 123.62 1f9a n LYS 155 Ca 0.13 0.69 -0.06 0.00 -2.02 0.00 0.00 58.31 57.05 1f9a n LYS 155 Cb 0.56 -4.23 -0.11 0.00 -0.02 0.00 0.00 35.03 31.24 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 -1.24 0.00 1.23 0.72 0.00 -1.26 -1.95 103.07 100.57 1f9a h GLY 156 Ca -0.55 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.64 1f9a h GLY 156 CO 0.43 0.00 -0.29 -2.08 0.00 0.00 0.00 176.54 174.60 1f9a h VAL 157 N 0.00 1.27 0.20 4.60 2.07 -1.91 0.34 116.25 122.83 1f9a h VAL 157 Ca -0.05 -1.45 -0.01 0.00 0.82 0.00 0.00 66.70 66.01 1f9a h VAL 157 Cb 1.76 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 1f9a h VAL 157 CO 0.11 0.48 -0.10 -0.33 0.02 0.00 0.00 177.57 177.76 1f9a h GLU 158 N 0.73 -0.26 -0.96 1.57 5.08 -1.75 -1.90 114.58 117.09 1f9a h GLU 158 Ca 0.08 0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.57 1f9a h GLU 158 Cb 0.85 0.06 -0.13 0.00 0.50 0.00 0.00 28.75 30.02 1f9a h GLU 158 CO 0.07 0.01 -0.51 -0.09 -1.00 0.00 0.00 179.01 177.49 1f9a h ARG 159 N -0.52 -0.03 -0.97 2.33 2.43 -1.31 0.22 114.38 116.53 1f9a h ARG 159 Ca -0.03 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.23 1f9a h ARG 159 Cb 0.39 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.87 1f9a h ARG 159 CO 0.05 -0.02 0.61 1.25 -1.51 0.00 0.00 179.97 180.35 1f9a h LEU 160 N -0.03 0.94 -0.22 3.80 5.85 -0.58 -0.49 115.31 124.59 1f9a h LEU 160 Ca 0.22 0.03 -0.20 0.00 0.84 0.00 0.00 57.88 58.77 1f9a h LEU 160 Cb 0.49 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 41.36 1f9a h LEU 160 CO -0.93 0.56 -0.65 0.03 -0.34 0.00 0.00 178.44 177.11 1f9a h ARG 161 N 1.05 0.82 -0.75 1.25 3.08 -0.35 -1.83 114.38 117.65 1f9a h ARG 161 Ca 0.45 -0.59 0.01 0.00 0.07 0.00 0.00 59.98 59.91 1f9a h ARG 161 Cb 0.30 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.41 1f9a h ARG 161 CO -0.21 1.21 0.49 0.87 -1.07 0.00 0.00 179.97 181.26 1f9a h LYS 162 N 0.58 0.99 0.00 0.04 1.57 -0.23 -1.65 116.57 117.86 1f9a h LYS 162 Ca -0.02 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 1f9a h LYS 162 Cb 1.27 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 1f9a h LYS 162 CO 0.14 0.66 -0.23 -0.07 -0.57 0.00 0.00 179.45 179.37 1f9a h LEU 163 N 1.01 0.00 0.00 2.94 3.38 -0.56 -3.51 115.31 118.57 1f9a h LEU 163 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1f9a h LEU 163 Cb -0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1f9a h LEU 163 CO -0.06 0.23 0.00 0.00 0.09 0.00 0.00 178.44 178.70