#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 2.49 0.10 1.96 0.52 -1.26 -1.50 118.95 121.26 1f9a s ARG 2 Ca 0.00 -0.81 0.08 0.00 -0.52 0.00 0.00 55.73 54.47 1f9a s ARG 2 Cb 0.00 -2.49 -0.04 0.00 0.52 0.00 0.00 34.95 32.94 1f9a s ARG 2 CO 0.00 0.56 -0.14 0.20 0.02 0.00 0.00 175.30 175.94 1f9a s GLY 3 N -1.92 1.74 -0.07 -3.53 0.00 0.07 -1.01 107.32 102.60 1f9a s GLY 3 Ca 0.21 -1.28 0.05 0.00 0.00 0.00 0.00 44.72 43.70 1f9a s GLY 3 CO 0.13 -1.25 -0.23 -0.12 0.00 0.00 0.00 173.10 171.63 1f9a s PHE 4 N -1.16 2.27 0.09 1.90 5.36 0.54 0.41 117.98 127.39 1f9a s PHE 4 Ca 0.19 -0.75 0.04 0.00 -0.96 0.00 0.00 56.93 55.46 1f9a s PHE 4 Cb -0.11 -1.51 -0.03 0.00 -0.34 0.00 0.00 43.02 41.03 1f9a s PHE 4 CO 0.11 -0.26 -0.11 -1.50 -1.46 0.00 0.00 175.22 172.01 1f9a s ILE 5 N 0.04 0.95 -0.03 3.12 2.07 -0.80 -0.97 121.20 125.58 1f9a s ILE 5 Ca -0.08 -1.51 0.01 0.00 -1.41 0.00 0.00 60.65 57.66 1f9a s ILE 5 Cb -0.14 -1.22 0.02 0.00 0.13 0.00 0.00 42.46 41.25 1f9a s ILE 5 CO 0.05 -0.46 -0.02 -0.51 -1.91 0.00 0.00 174.94 172.08 1f9a s ILE 6 N -2.05 0.34 0.07 2.00 1.10 -1.26 -0.89 121.20 120.50 1f9a s ILE 6 Ca 0.02 -0.03 -0.02 0.00 -0.51 0.00 0.00 60.65 60.11 1f9a s ILE 6 Cb -0.05 -0.39 0.01 0.00 0.15 0.00 0.00 42.46 42.17 1f9a s ILE 6 CO 0.01 0.17 0.13 0.61 -2.11 0.00 0.00 174.94 173.75 1f9a n GLY 7 N 3.99 1.94 0.06 1.50 0.00 -0.85 -4.98 105.19 106.85 1f9a n GLY 7 Ca -0.25 -1.09 0.02 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.09 0.66 -3.84 1.61 1.74 -1.26 -0.53 116.66 114.95 1f9a n ARG 8 Ca -0.01 -0.05 -0.37 0.00 -0.77 0.00 0.00 57.85 56.64 1f9a n ARG 8 Cb 0.10 -1.58 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 -2.56 -1.70 -3.67 -1.55 3.01 -1.26 -4.73 117.46 105.00 1f9a n PHE 9 Ca -0.15 0.31 -0.27 0.00 1.01 0.00 0.00 57.45 58.34 1f9a n PHE 9 Cb 0.83 -3.19 -0.10 0.00 -0.01 0.00 0.00 39.48 37.01 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 -4.53 1.69 -3.48 -1.08 6.02 -1.26 -2.93 117.38 111.81 1f9a n GLN 10 Ca -0.10 -4.26 -0.23 0.00 -0.01 0.00 0.00 57.00 52.39 1f9a n GLN 10 Cb 0.58 -2.12 0.03 0.00 1.02 0.00 0.00 30.24 29.75 1f9a n GLN 10 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1f9a n PRO 11 N 1.78 0.65 -1.78 -1.09 -0.04 -1.26 -4.72 135.00 128.54 1f9a n PRO 11 Ca 0.24 -3.30 -0.42 0.00 -0.04 0.00 0.00 63.50 59.98 1f9a n PRO 11 Cb 0.39 0.13 -0.03 0.00 -0.04 0.00 0.00 33.50 33.95 1f9a n PRO 11 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1f9a s PHE 12 N -2.67 2.26 0.36 0.54 5.36 -1.15 -4.75 117.98 117.94 1f9a s PHE 12 Ca 0.43 0.10 0.02 0.00 -0.96 0.00 0.00 56.93 56.52 1f9a s PHE 12 Cb -0.03 -4.11 -0.01 0.00 -0.34 0.00 0.00 43.02 38.53 1f9a s PHE 12 CO 0.27 -4.52 0.07 -2.39 -1.46 0.00 0.00 175.22 167.19 1f9a n HIS 13 N 5.59 0.45 0.33 10.12 1.44 -1.26 -4.64 115.22 127.25 1f9a n HIS 13 Ca 0.17 -2.06 0.15 0.00 -2.01 0.00 0.00 57.72 53.97 1f9a n HIS 13 Cb 0.39 -0.11 0.61 0.00 0.12 0.00 0.00 29.99 31.00 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 -0.10 -1.40 1.57 -1.56 -2.29 116.57 112.79 1f9a h LYS 14 Ca -0.29 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.25 1f9a h LYS 14 Cb 0.99 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.32 1f9a h LYS 14 CO 0.47 0.00 -0.88 0.78 -0.57 0.00 0.00 179.45 179.25 1f9a h GLY 15 N 1.93 0.85 0.77 3.86 0.00 -1.84 -1.87 103.07 106.76 1f9a h GLY 15 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 47.33 46.03 1f9a h GLY 15 CO 0.00 1.16 -0.20 0.45 0.00 0.00 0.00 176.54 177.94 1f9a h HIS 16 N 0.49 -0.53 -0.51 5.60 3.86 -1.77 -0.34 115.15 121.95 1f9a h HIS 16 Ca -0.08 0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.21 1f9a h HIS 16 Cb 1.52 0.21 -0.10 0.00 1.06 0.00 0.00 27.41 30.09 1f9a h HIS 16 CO 0.09 -0.30 -0.45 1.25 0.86 0.00 0.00 177.93 179.39 1f9a h LEU 17 N -0.44 -1.51 -0.23 2.43 6.46 -1.48 -0.73 115.31 119.81 1f9a h LEU 17 Ca -0.00 0.24 0.06 0.00 -0.12 0.00 0.00 57.88 58.06 1f9a h LEU 17 Cb 0.41 0.67 -0.07 0.00 -0.73 0.00 0.00 40.66 40.94 1f9a h LEU 17 CO -0.05 -0.35 -0.32 -0.33 -0.62 0.00 0.00 178.44 176.77 1f9a h GLU 18 N -0.27 -0.33 -0.19 1.25 4.39 -1.31 -1.89 114.58 116.23 1f9a h GLU 18 Ca 0.16 0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.79 1f9a h GLU 18 Cb 0.57 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 1f9a h GLU 18 CO -0.65 -0.22 -0.28 -0.24 -1.16 0.00 0.00 179.01 176.46 1f9a h VAL 19 N -0.34 1.27 -0.37 3.13 3.04 -0.70 -0.82 116.25 121.46 1f9a h VAL 19 Ca 0.12 -1.28 -0.14 0.00 -1.01 0.00 0.00 66.70 64.39 1f9a h VAL 19 Cb 0.54 1.43 -0.01 0.00 -2.01 0.00 0.00 31.29 31.24 1f9a h VAL 19 CO -0.42 0.40 -0.33 0.40 -1.01 0.00 0.00 177.57 176.61 1f9a h ILE 20 N 0.33 1.28 -0.57 3.17 2.04 -1.13 -1.74 117.51 120.89 1f9a h ILE 20 Ca 0.05 -1.49 0.09 0.00 1.00 0.00 0.00 64.86 64.51 1f9a h ILE 20 Cb 0.67 1.39 -0.07 0.00 -0.74 0.00 0.00 36.82 38.07 1f9a h ILE 20 CO 0.05 0.50 0.17 0.11 0.00 0.00 0.00 178.15 178.98 1f9a h LYS 21 N 0.69 0.32 -0.25 2.37 1.57 -1.02 -0.69 116.57 119.56 1f9a h LYS 21 Ca 0.07 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.89 1f9a h LYS 21 Cb 0.91 -0.07 -0.07 0.00 0.08 0.00 0.00 32.23 33.08 1f9a h LYS 21 CO 0.08 0.21 -0.25 -0.22 -0.57 0.00 0.00 179.45 178.71 1f9a h LYS 22 N 0.33 -0.25 -0.39 3.15 1.63 -1.08 -3.05 116.57 116.91 1f9a h LYS 22 Ca 0.29 0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 60.08 1f9a h LYS 22 Cb 0.38 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.05 1f9a h LYS 22 CO -0.32 -0.16 0.16 0.82 -3.45 0.00 0.00 179.45 176.49 1f9a h ILE 23 N -0.26 1.19 0.00 2.00 2.04 -1.06 0.34 117.51 121.77 1f9a h ILE 23 Ca 0.14 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1f9a h ILE 23 Cb 0.47 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1f9a h ILE 23 CO -0.40 0.21 0.22 0.00 0.00 0.00 0.00 178.15 178.19 1f9a n ALA 24 N -2.30 0.64 0.78 1.87 0.00 -0.29 -0.40 120.51 120.82 1f9a n ALA 24 Ca -0.00 0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.62 1f9a n ALA 24 Cb 0.14 -0.70 0.45 0.00 0.00 0.00 0.00 19.45 19.33 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 -1.59 0.15 -0.00 0.00 1.02 0.12 -4.09 120.64 116.25 1f9a n GLU 25 Ca -0.00 0.11 0.05 0.00 -0.02 0.00 0.00 57.16 57.30 1f9a n GLU 25 Cb 0.23 -1.66 -0.07 0.00 -0.02 0.00 0.00 31.44 29.92 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 -1.91 1.81 -3.86 3.49 1.02 0.47 -5.03 120.64 116.62 1f9a n GLU 26 Ca 0.06 -0.05 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 1f9a n GLU 26 Cb 0.39 -1.14 -0.11 0.00 -0.02 0.00 0.00 31.44 30.57 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 -2.41 0.06 0.35 2.62 0.11 -1.07 -5.06 120.40 115.01 1f9a s VAL 27 Ca -0.00 -0.53 0.12 0.00 -2.93 0.00 0.00 61.98 58.63 1f9a s VAL 27 Cb 0.07 -0.37 0.07 0.00 -1.53 0.00 0.00 36.38 34.63 1f9a s VAL 27 CO 0.45 -0.29 1.79 0.44 -3.33 0.00 0.00 175.10 174.16 1f9a h ASP 28 N 4.69 0.02 -4.99 3.54 3.32 -1.57 -3.42 116.42 118.01 1f9a h ASP 28 Ca -0.29 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.62 1f9a h ASP 28 Cb 1.20 -0.01 -0.20 0.00 0.22 0.00 0.00 39.33 40.54 1f9a h ASP 28 CO 0.41 0.42 -0.34 -1.61 -1.72 0.00 0.00 179.24 176.40 1f9a s GLU 29 N -4.13 0.62 -0.11 3.56 2.02 -1.04 -4.43 118.70 115.18 1f9a s GLU 29 Ca -0.03 -0.27 0.02 0.00 0.02 0.00 0.00 54.97 54.71 1f9a s GLU 29 Cb 0.14 0.27 0.01 0.00 0.10 0.00 0.00 34.13 34.65 1f9a s GLU 29 CO 0.73 -0.17 -0.16 0.42 0.02 0.00 0.00 175.26 176.10 1f9a s ILE 30 N -1.41 1.59 -0.28 -1.63 1.01 -0.33 -0.76 121.20 119.39 1f9a s ILE 30 Ca -0.14 -0.70 -0.16 0.00 0.00 0.00 0.00 60.65 59.65 1f9a s ILE 30 Cb -0.06 -1.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.95 1f9a s ILE 30 CO 0.03 0.46 0.43 -0.63 0.00 0.00 0.00 174.94 175.23 1f9a s ILE 31 N 0.91 5.12 -0.62 2.92 1.09 0.16 -1.64 121.20 129.15 1f9a s ILE 31 Ca -0.08 0.64 -0.16 0.00 -1.10 0.00 0.00 60.65 59.95 1f9a s ILE 31 Cb -0.15 -3.77 0.15 0.00 -1.06 0.00 0.00 42.46 37.63 1f9a s ILE 31 CO -0.01 0.09 0.59 -0.63 -0.10 0.00 0.00 174.94 174.88 1f9a s ILE 32 N 2.18 5.28 -0.04 2.92 1.01 0.47 -1.91 121.20 131.11 1f9a s ILE 32 Ca 0.17 -1.70 -0.30 0.00 0.00 0.00 0.00 60.65 58.82 1f9a s ILE 32 Cb -0.16 -4.39 -0.05 0.00 0.01 0.00 0.00 42.46 37.88 1f9a s ILE 32 CO 0.10 -0.93 1.49 -0.83 0.00 0.00 0.00 174.94 174.76 1f9a s GLY 33 N 3.25 1.68 -0.68 6.18 0.00 -0.07 -1.04 107.32 116.64 1f9a s GLY 33 Ca 0.08 0.85 -0.16 0.00 0.00 0.00 0.00 44.72 45.48 1f9a s GLY 33 CO 0.00 2.73 0.68 -0.42 0.00 0.00 0.00 173.10 176.09 1f9a s ILE 34 N 3.22 5.25 0.99 0.90 1.01 0.10 -2.01 121.20 130.66 1f9a s ILE 34 Ca 0.66 -1.77 -0.13 0.00 0.00 0.00 0.00 60.65 59.41 1f9a s ILE 34 Cb -0.31 -4.44 0.18 0.00 0.01 0.00 0.00 42.46 37.90 1f9a s ILE 34 CO 0.26 -1.02 1.13 -0.83 0.00 0.00 0.00 174.94 174.48 1f9a s GLY 35 N 3.09 1.58 -1.54 6.18 0.00 0.31 0.96 107.32 117.90 1f9a s GLY 35 Ca 0.12 -0.57 -0.11 0.00 0.00 0.00 0.00 44.72 44.15 1f9a s GLY 35 CO -0.02 0.06 0.80 1.44 0.00 0.00 0.00 173.10 175.39 1f9a n SER 36 N -4.05 -3.20 0.15 1.64 7.64 -0.84 -4.62 113.62 110.34 1f9a n SER 36 Ca 0.07 -0.89 0.02 0.00 1.01 0.00 0.00 58.87 59.08 1f9a n SER 36 Cb 0.59 -3.44 0.36 0.00 -1.01 0.00 0.00 64.21 60.71 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 0.92 1.41 -0.01 -0.43 0.00 -1.52 0.23 119.26 119.85 1f9a h ALA 37 Ca -0.60 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.02 1f9a h ALA 37 Cb 1.38 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1f9a h ALA 37 CO 0.68 0.43 -0.10 0.00 0.00 0.00 0.00 179.25 180.26 1f9a n GLN 38 N -4.17 0.95 -3.37 0.00 0.00 -1.26 -3.57 117.38 105.96 1f9a n GLN 38 Ca -0.01 -0.39 -0.38 0.00 0.00 0.00 0.00 57.00 56.21 1f9a n GLN 38 Cb 0.36 -1.49 -0.07 0.00 0.00 0.00 0.00 30.24 29.04 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 -2.32 4.26 0.26 2.61 1.02 0.79 -5.03 119.74 121.33 1f9a s LYS 39 Ca 0.32 0.31 -0.19 0.00 0.02 0.00 0.00 55.97 56.44 1f9a s LYS 39 Cb 0.20 -3.48 0.01 0.00 -0.52 0.00 0.00 37.83 34.05 1f9a s LYS 39 CO 0.44 0.07 0.64 -1.54 -0.92 0.00 0.00 175.35 174.04 1f9a s SER 40 N 0.79 -0.22 -1.41 2.83 1.04 -1.23 -4.61 113.70 110.89 1f9a s SER 40 Ca 0.22 -0.68 -0.07 0.00 0.48 0.00 0.00 55.95 55.90 1f9a s SER 40 Cb -0.15 0.68 0.04 0.00 0.10 0.00 0.00 66.02 66.69 1f9a s SER 40 CO 0.08 -1.27 0.87 1.41 0.98 0.00 0.00 173.24 175.32 1f9a n HIS 41 N -0.43 -2.17 -4.45 5.02 8.25 -0.45 -4.89 115.22 116.10 1f9a n HIS 41 Ca -0.04 0.89 -0.22 0.00 -0.26 0.00 0.00 57.72 58.09 1f9a n HIS 41 Cb 0.60 -4.27 -0.09 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 -3.47 0.82 -0.22 1.59 2.01 -0.77 -4.97 115.64 110.64 1f9a s THR 42 Ca 0.35 -2.00 0.29 0.00 0.31 0.00 0.00 61.69 60.64 1f9a s THR 42 Cb -0.17 -2.58 0.34 0.00 0.01 0.00 0.00 72.50 70.09 1f9a s THR 42 CO 0.81 0.00 1.83 -0.07 -0.69 0.00 0.00 174.62 176.51 1f9a h LEU 43 N 2.03 0.00 0.00 4.42 3.38 -1.94 -2.66 115.31 120.55 1f9a h LEU 43 Ca -0.38 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.25 1f9a h LEU 43 Cb 1.26 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.94 1f9a h LEU 43 CO 0.62 0.00 -2.25 -0.62 0.09 0.00 0.00 178.44 176.29 1f9a n GLU 44 N -2.81 0.68 -3.57 1.13 4.71 -1.26 -4.74 120.64 114.78 1f9a n GLU 44 Ca 0.02 0.04 -0.27 0.00 -0.01 0.00 0.00 57.16 56.94 1f9a n GLU 44 Cb 0.34 -1.57 -0.10 0.00 -1.01 0.00 0.00 31.44 29.10 1f9a n GLU 44 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1f9a n ASN 45 N -2.78 1.42 0.08 1.62 3.02 -1.03 -4.89 115.26 112.70 1f9a n ASN 45 Ca -0.29 -2.85 -0.06 0.00 -0.03 0.00 0.00 54.58 51.34 1f9a n ASN 45 Cb 1.12 -0.65 0.07 0.00 -0.61 0.00 0.00 39.78 39.71 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 5.18 0.22 -5.91 3.52 0.13 -1.78 -1.85 132.00 131.52 1f9a h PRO 46 Ca 0.19 -0.18 -0.68 0.00 -0.87 0.00 0.00 66.00 64.46 1f9a h PRO 46 Cb 0.82 0.04 -0.13 0.00 0.13 0.00 0.00 31.00 31.86 1f9a h PRO 46 CO 0.57 0.83 -0.59 -0.06 -0.23 0.00 0.00 178.00 178.52 1f9a s PHE 47 N -3.57 3.26 0.91 1.56 0.40 -1.26 -1.34 117.98 117.94 1f9a s PHE 47 Ca -0.04 0.27 -0.11 0.00 -0.60 0.00 0.00 56.93 56.45 1f9a s PHE 47 Cb 0.11 -1.82 0.14 0.00 0.51 0.00 0.00 43.02 41.96 1f9a s PHE 47 CO 0.81 0.53 1.09 0.99 0.70 0.00 0.00 175.22 179.34 1f9a s THR 48 N -0.94 2.61 0.17 0.64 2.01 -1.26 -4.52 115.64 114.35 1f9a s THR 48 Ca 0.14 0.20 -0.15 0.00 0.31 0.00 0.00 61.69 62.19 1f9a s THR 48 Cb -0.12 -2.57 0.05 0.00 0.01 0.00 0.00 72.50 69.87 1f9a s THR 48 CO 0.04 -0.26 1.77 0.00 -0.69 0.00 0.00 174.62 175.47 1f9a h ALA 49 N -1.65 0.52 -0.39 7.40 0.00 -1.86 -0.11 119.26 123.18 1f9a h ALA 49 Ca -0.49 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 1f9a h ALA 49 Cb 1.28 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1f9a h ALA 49 CO 0.52 -0.19 -0.17 0.78 0.00 0.00 0.00 179.25 180.19 1f9a h GLY 50 N 0.38 0.80 0.46 0.00 0.00 -1.92 0.23 103.07 103.01 1f9a h GLY 50 Ca 0.19 -0.64 0.04 0.00 0.00 0.00 0.00 47.33 46.93 1f9a h GLY 50 CO -0.16 0.58 -0.13 0.83 0.00 0.00 0.00 176.54 177.66 1f9a h GLU 51 N 0.66 -0.14 -0.41 4.80 5.08 -1.81 -2.15 114.58 120.62 1f9a h GLU 51 Ca 0.10 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 1f9a h GLU 51 Cb 0.65 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1f9a h GLU 51 CO 0.05 -0.09 -0.08 0.00 -1.00 0.00 0.00 179.01 177.89 1f9a h ARG 52 N -0.14 0.70 -0.97 2.33 3.08 -0.61 -1.76 114.38 117.02 1f9a h ARG 52 Ca 0.10 -0.21 0.02 0.00 0.07 0.00 0.00 59.98 59.97 1f9a h ARG 52 Cb 0.29 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.22 1f9a h ARG 52 CO -0.25 0.77 0.64 0.82 -1.07 0.00 0.00 179.97 180.88 1f9a h ILE 53 N 0.65 1.21 -0.17 2.04 2.04 -0.43 -1.47 117.51 121.37 1f9a h ILE 53 Ca 0.12 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 1f9a h ILE 53 Cb 0.52 -0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 1f9a h ILE 53 CO 0.03 0.23 0.10 0.25 0.00 0.00 0.00 178.15 178.76 1f9a h LEU 54 N 1.27 0.21 -0.93 1.44 5.85 -1.17 -0.84 115.31 121.13 1f9a h LEU 54 Ca 0.37 -0.06 0.15 0.00 0.84 0.00 0.00 57.88 59.18 1f9a h LEU 54 Cb -0.08 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 40.81 1f9a h LEU 54 CO -0.10 0.21 0.53 0.24 -0.34 0.00 0.00 178.44 178.98 1f9a h MET 55 N 0.19 0.74 0.19 1.25 2.86 -1.02 -1.71 114.93 117.42 1f9a h MET 55 Ca 0.06 -0.04 -0.33 0.00 -2.06 0.00 0.00 59.70 57.32 1f9a h MET 55 Cb 0.04 -0.17 0.01 0.00 0.06 0.00 0.00 31.60 31.55 1f9a h MET 55 CO -0.01 0.49 -1.59 0.82 1.06 0.00 0.00 176.91 177.68 1f9a h ILE 56 N 0.77 1.12 -0.01 -1.22 2.04 -0.92 -2.87 117.51 116.42 1f9a h ILE 56 Ca 0.50 -2.67 -0.15 0.00 1.00 0.00 0.00 64.86 63.54 1f9a h ILE 56 Cb 0.66 2.85 -0.02 0.00 -0.74 0.00 0.00 36.82 39.57 1f9a h ILE 56 CO -0.33 0.84 -0.70 0.74 0.00 0.00 0.00 178.15 178.69 1f9a h THR 57 N 0.11 1.48 -0.14 -0.27 2.02 -1.22 -2.58 112.91 112.31 1f9a h THR 57 Ca -0.28 -2.34 -0.13 0.00 0.77 0.00 0.00 66.41 64.43 1f9a h THR 57 Cb 2.09 2.26 -0.01 0.00 -1.74 0.00 0.00 68.15 70.75 1f9a h THR 57 CO 0.20 0.67 -0.46 1.56 0.37 0.00 0.00 175.52 177.86 1f9a h GLN 58 N 0.04 0.36 -0.07 6.66 1.08 -1.36 -2.26 115.11 119.56 1f9a h GLN 58 Ca -0.01 -0.19 -0.23 0.00 -1.45 0.00 0.00 58.65 56.77 1f9a h GLN 58 Cb 1.24 0.01 0.01 0.00 -0.05 0.00 0.00 27.48 28.69 1f9a h GLN 58 CO 0.10 0.75 -0.87 0.77 -0.95 0.00 0.00 178.83 178.63 1f9a h SER 59 N 0.29 0.78 0.00 1.46 0.02 -1.35 -3.35 113.55 111.40 1f9a h SER 59 Ca 0.02 -0.56 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 1f9a h SER 59 Cb 0.93 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1f9a h SER 59 CO 0.08 1.35 -0.98 0.18 -1.14 0.00 0.00 176.83 176.32 1f9a n LEU 60 N -3.86 0.87 0.21 5.07 4.77 -0.99 -4.56 117.00 118.51 1f9a n LEU 60 Ca -0.08 -0.47 0.06 0.00 -0.03 0.00 0.00 56.01 55.49 1f9a n LEU 60 Cb 0.79 0.00 0.44 0.00 -2.33 0.00 0.00 43.42 42.33 1f9a n LEU 60 CO 0.53 0.22 0.77 0.07 -1.33 0.00 0.00 177.39 177.65 1f9a h LYS 61 N 0.00 0.00 -0.53 3.23 2.10 -1.55 -0.89 116.57 118.93 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 0.49 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 1f9a h LYS 61 CO 0.00 0.31 0.00 -0.25 -2.00 0.00 0.00 179.45 177.51 1f9a n ASP 62 N -3.78 2.65 -1.74 7.07 8.00 -1.26 -4.87 116.55 122.62 1f9a n ASP 62 Ca -0.01 -2.17 0.00 0.00 0.71 0.00 0.00 54.79 53.32 1f9a n ASP 62 Cb 0.40 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 1f9a n ASP 62 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1f9a n TYR 63 N 0.57 -1.75 1.19 1.24 4.02 -0.34 -5.04 117.16 117.05 1f9a n TYR 63 Ca 0.14 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.17 1f9a n TYR 63 Cb 0.49 0.00 0.51 0.00 -0.02 0.00 0.00 39.34 40.32 1f9a n TYR 63 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1f9a n ASP 64 N -2.03 0.37 -4.76 7.72 8.00 -1.26 -5.01 116.55 119.58 1f9a n ASP 64 Ca 0.00 -0.22 -0.39 0.00 0.71 0.00 0.00 54.79 54.89 1f9a n ASP 64 Cb 0.00 -0.10 -0.05 0.00 -0.02 0.00 0.00 41.12 40.95 1f9a n ASP 64 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1f9a s LEU 65 N -2.75 4.50 -0.33 0.64 1.43 -1.26 -5.02 118.68 115.89 1f9a s LEU 65 Ca 0.20 2.08 -0.20 0.00 -1.03 0.00 0.00 54.13 55.18 1f9a s LEU 65 Cb 0.19 -3.75 -0.00 0.00 0.03 0.00 0.00 46.19 42.66 1f9a s LEU 65 CO 0.55 -0.08 0.63 -0.89 0.23 0.00 0.00 176.35 176.78 1f9a s THR 66 N -1.29 4.92 0.17 5.49 2.01 -1.26 -5.05 115.64 120.61 1f9a s THR 66 Ca 0.46 0.70 -0.06 0.00 0.31 0.00 0.00 61.69 63.10 1f9a s THR 66 Cb -0.27 -4.03 -0.02 0.00 0.01 0.00 0.00 72.50 68.18 1f9a s THR 66 CO 0.34 -0.23 0.21 -0.72 -0.69 0.00 0.00 174.62 173.53 1f9a s TYR 67 N 2.65 0.64 -0.26 4.92 -0.85 -1.26 -1.19 117.35 122.00 1f9a s TYR 67 Ca 0.24 -0.99 -0.03 0.00 -0.52 0.00 0.00 57.07 55.78 1f9a s TYR 67 Cb -0.15 -0.24 0.11 0.00 0.38 0.00 0.00 41.96 42.07 1f9a s TYR 67 CO 0.13 -0.67 0.23 0.71 -1.52 0.00 0.00 175.55 174.43 1f9a s TYR 68 N -4.02 -0.21 -0.55 -3.49 1.51 -0.65 -4.96 117.35 104.97 1f9a s TYR 68 Ca 0.23 -0.21 -0.25 0.00 -1.01 0.00 0.00 57.07 55.83 1f9a s TYR 68 Cb 0.05 -0.54 0.04 0.00 -0.11 0.00 0.00 41.96 41.40 1f9a s TYR 68 CO 0.03 -0.78 0.97 -1.25 -1.11 0.00 0.00 175.55 173.41 1f9a s PRO 69 N 2.28 3.35 -0.10 -1.71 0.04 -1.26 -0.39 135.00 137.21 1f9a s PRO 69 Ca 0.08 -0.21 0.03 0.00 0.04 0.00 0.00 61.00 60.94 1f9a s PRO 69 Cb -0.15 -4.05 0.01 0.00 0.04 0.00 0.00 34.50 30.35 1f9a s PRO 69 CO -0.26 -1.51 -0.18 0.42 0.04 0.00 0.00 177.00 175.51 1f9a s ILE 70 N 4.06 1.66 -0.02 0.56 1.01 -0.20 -4.97 121.20 123.29 1f9a s ILE 70 Ca 0.32 -0.77 -0.30 0.00 0.00 0.00 0.00 60.65 59.90 1f9a s ILE 70 Cb -0.12 -1.48 -0.06 0.00 0.01 0.00 0.00 42.46 40.81 1f9a s ILE 70 CO 0.20 0.47 1.53 -2.16 0.00 0.00 0.00 174.94 174.98 1f9a s PRO 71 N 0.67 4.22 -0.20 2.79 0.04 -1.26 -0.72 135.00 140.54 1f9a s PRO 71 Ca -0.13 2.09 -0.02 0.00 0.04 0.00 0.00 61.00 62.98 1f9a s PRO 71 Cb -0.16 -3.76 -0.00 0.00 0.04 0.00 0.00 34.50 30.62 1f9a s PRO 71 CO 0.03 -0.72 -0.10 0.42 0.04 0.00 0.00 177.00 176.67 1f9a s ILE 72 N 3.19 2.94 0.41 0.56 1.01 0.27 -4.84 121.20 124.74 1f9a s ILE 72 Ca 0.68 -0.65 -0.26 0.00 0.00 0.00 0.00 60.65 60.43 1f9a s ILE 72 Cb -0.33 -2.30 -0.09 0.00 0.01 0.00 0.00 42.46 39.76 1f9a s ILE 72 CO 0.27 0.47 1.33 -0.54 0.00 0.00 0.00 174.94 176.47 1f9a s LYS 73 N 1.30 3.93 -0.18 2.79 1.02 -1.26 -1.96 119.74 125.38 1f9a s LYS 73 Ca 0.04 2.21 -0.29 0.00 0.02 0.00 0.00 55.97 57.95 1f9a s LYS 73 Cb -0.14 -2.75 -0.04 0.00 -0.52 0.00 0.00 37.83 34.38 1f9a s LYS 73 CO -0.05 -0.55 1.80 -0.51 -0.92 0.00 0.00 175.35 175.12 1f9a s ASP 74 N -0.69 6.21 0.40 2.83 1.01 -1.26 -4.68 116.67 120.49 1f9a s ASP 74 Ca 0.57 1.85 0.08 0.00 0.71 0.00 0.00 52.55 55.76 1f9a s ASP 74 Cb -0.39 -2.53 -0.00 0.00 1.01 0.00 0.00 42.92 41.01 1f9a s ASP 74 CO 0.50 -1.36 0.48 0.27 0.21 0.00 0.00 175.17 175.27 1f9a s ILE 75 N 5.69 3.05 -0.67 0.77 -4.36 -1.26 -5.02 121.20 119.41 1f9a s ILE 75 Ca 0.80 -1.13 0.05 0.00 -0.26 0.00 0.00 60.65 60.10 1f9a s ILE 75 Cb -0.29 -3.06 0.29 0.00 1.25 0.00 0.00 42.46 40.65 1f9a s ILE 75 CO 0.33 -0.03 0.92 -0.62 0.24 0.00 0.00 174.94 175.77 1f9a n GLU 76 N -1.70 3.05 -2.94 0.37 -0.58 -1.26 -4.83 120.64 112.75 1f9a n GLU 76 Ca 0.05 -4.74 -0.04 0.00 -0.42 0.00 0.00 57.16 52.02 1f9a n GLU 76 Cb 0.60 -2.28 -0.00 0.00 -0.57 0.00 0.00 31.44 29.19 1f9a n GLU 76 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1f9a s PHE 77 N -2.94 -1.53 0.25 -0.32 5.99 -1.26 -5.04 117.98 113.13 1f9a s PHE 77 Ca 0.42 -0.38 -0.04 0.00 0.00 0.00 0.00 56.93 56.93 1f9a s PHE 77 Cb 0.19 0.26 0.34 0.00 0.00 0.00 0.00 43.02 43.81 1f9a s PHE 77 CO -0.05 -1.23 1.89 -0.91 -0.00 0.00 0.00 175.22 174.92 1f9a h ASN 78 N 5.70 1.01 0.09 6.13 2.35 -2.01 -2.01 115.58 126.83 1f9a h ASN 78 Ca 0.06 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1f9a h ASN 78 Cb 1.12 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 39.28 1f9a h ASN 78 CO 0.06 0.67 -0.00 -1.28 -1.65 0.00 0.00 177.43 175.22 1f9a h SER 79 N 1.16 0.00 -0.02 5.81 0.87 -2.02 -2.42 113.55 116.93 1f9a h SER 79 Ca 0.39 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.95 1f9a h SER 79 Cb 0.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1f9a h SER 79 CO -0.14 0.00 0.00 2.30 -0.53 0.00 0.00 176.83 178.46 1f9a n ILE 80 N -3.19 0.03 -0.28 2.23 -5.35 -0.77 -4.70 119.36 107.32 1f9a n ILE 80 Ca -0.03 -0.52 -0.02 0.00 -0.27 0.00 0.00 62.75 61.91 1f9a n ILE 80 Cb 0.09 1.20 0.10 0.00 -1.74 0.00 0.00 39.64 39.29 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 2.07 0.94 -0.71 4.28 7.01 -1.25 -0.94 115.95 127.35 1f9a h TRP 81 Ca 0.00 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.06 1f9a h TRP 81 Cb 0.45 -0.31 -0.04 0.00 -2.10 0.00 0.00 29.16 27.16 1f9a h TRP 81 CO 0.01 0.53 0.47 0.28 -2.79 0.00 0.00 178.44 176.93 1f9a h VAL 82 N 0.97 1.11 -0.19 2.65 2.07 -1.84 -0.20 116.25 120.81 1f9a h VAL 82 Ca 0.32 -0.29 -0.21 0.00 0.82 0.00 0.00 66.70 67.34 1f9a h VAL 82 Cb 0.03 0.17 0.01 0.00 -1.52 0.00 0.00 31.29 29.98 1f9a h VAL 82 CO -0.12 0.16 -0.70 -1.28 0.02 0.00 0.00 177.57 175.65 1f9a h SER 83 N 0.86 0.92 0.16 0.57 0.87 -1.82 0.73 113.55 115.84 1f9a h SER 83 Ca 0.28 -0.56 -0.01 0.00 -1.23 0.00 0.00 61.79 60.27 1f9a h SER 83 Cb 0.06 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.75 1f9a h SER 83 CO -0.08 1.36 -0.08 0.22 -0.53 0.00 0.00 176.83 177.72 1f9a h TYR 84 N 0.56 -0.20 -0.75 2.24 3.20 -0.90 -0.55 116.97 120.57 1f9a h TYR 84 Ca -0.03 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 61.95 1f9a h TYR 84 Cb 1.31 0.07 -0.08 0.00 1.54 0.00 0.00 36.73 39.57 1f9a h TYR 84 CO 0.08 -0.04 0.37 0.28 -1.64 0.00 0.00 178.16 177.20 1f9a h VAL 85 N -0.32 0.79 -0.71 1.81 2.07 -0.78 -2.69 116.25 116.43 1f9a h VAL 85 Ca -0.02 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.31 1f9a h VAL 85 Cb 0.25 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.14 1f9a h VAL 85 CO 0.04 0.11 0.47 -0.33 0.02 0.00 0.00 177.57 177.88 1f9a h GLU 86 N 0.58 0.93 -0.58 1.57 5.08 -0.57 -2.72 114.58 118.87 1f9a h GLU 86 Ca 0.39 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.73 1f9a h GLU 86 Cb 0.47 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 1f9a h GLU 86 CO -0.31 0.61 0.33 0.77 -1.00 0.00 0.00 179.01 179.41 1f9a h SER 87 N 0.96 0.52 1.02 1.42 0.02 -0.77 -3.24 113.55 113.47 1f9a h SER 87 Ca 0.26 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1f9a h SER 87 Cb -0.10 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.35 1f9a h SER 87 CO -0.06 0.36 0.00 0.18 -1.14 0.00 0.00 176.83 176.17 1f9a n LEU 88 N -4.79 0.16 -4.06 5.07 4.77 -1.04 -5.00 117.00 112.11 1f9a n LEU 88 Ca 0.05 0.52 -0.13 0.00 -0.03 0.00 0.00 56.01 56.42 1f9a n LEU 88 Cb 0.11 -0.47 -0.12 0.00 -2.33 0.00 0.00 43.42 40.61 1f9a n LEU 88 CO 0.31 -0.07 -0.40 0.42 -1.33 0.00 0.00 177.39 176.31 1f9a s THR 89 N -3.03 0.56 0.43 -5.08 -4.23 -1.18 -5.03 115.64 98.09 1f9a s THR 89 Ca 0.12 -1.05 -0.22 0.00 -1.18 0.00 0.00 61.69 59.37 1f9a s THR 89 Cb 0.17 -0.62 -0.12 0.00 1.34 0.00 0.00 72.50 73.27 1f9a s THR 89 CO 0.51 -0.35 0.57 -2.65 -0.54 0.00 0.00 174.62 172.17 1f9a n PRO 90 N 1.53 0.61 -1.70 3.99 -0.02 -1.26 -4.89 135.00 133.26 1f9a n PRO 90 Ca -0.22 0.23 -0.43 0.00 -2.02 0.00 0.00 63.50 61.05 1f9a n PRO 90 Cb 0.55 -1.55 -0.01 0.00 -0.02 0.00 0.00 33.50 32.46 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 0.52 2.21 -4.22 0.52 -0.02 -1.26 -4.99 135.00 127.76 1f9a n PRO 91 Ca 0.11 0.78 -0.12 0.00 -2.02 0.00 0.00 63.50 62.25 1f9a n PRO 91 Cb 0.40 -2.42 -0.10 0.00 -0.02 0.00 0.00 33.50 31.36 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 -0.57 1.11 0.00 6.00 -0.12 -1.26 -4.66 117.98 118.47 1f9a s PHE 92 Ca 0.61 -1.01 0.00 0.00 -0.05 0.00 0.00 56.93 56.48 1f9a s PHE 92 Cb -0.58 -0.63 0.00 0.00 -0.63 0.00 0.00 43.02 41.18 1f9a s PHE 92 CO 0.56 -0.22 0.00 -0.25 -0.05 0.00 0.00 175.22 175.26 1f9a n ASP 93 N -0.18 4.61 -3.89 1.98 8.00 -0.18 -4.96 116.55 121.94 1f9a n ASP 93 Ca -0.08 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.27 1f9a n ASP 93 Cb 0.63 0.41 -0.15 0.00 -0.02 0.00 0.00 41.12 41.99 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 -1.95 0.21 -0.12 0.53 1.01 -1.11 -4.15 121.20 115.63 1f9a s ILE 94 Ca 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.60 1f9a s ILE 94 Cb 0.00 -0.22 -0.01 0.00 0.01 0.00 0.00 42.46 42.24 1f9a s ILE 94 CO 0.00 0.09 -0.16 -0.69 0.00 0.00 0.00 174.94 174.18 1f9a s VAL 95 N 0.29 2.83 -0.41 2.92 1.01 -0.79 -0.34 120.40 125.90 1f9a s VAL 95 Ca -0.03 -0.75 -0.07 0.00 0.00 0.00 0.00 61.98 61.13 1f9a s VAL 95 Cb -0.05 -2.16 0.09 0.00 0.00 0.00 0.00 36.38 34.25 1f9a s VAL 95 CO -0.01 0.53 0.24 -0.31 0.00 0.00 0.00 175.10 175.55 1f9a s TYR 96 N 0.31 3.39 -0.02 5.22 1.51 -0.14 -0.38 117.35 127.23 1f9a s TYR 96 Ca -0.12 -1.75 -0.19 0.00 -1.01 0.00 0.00 57.07 54.00 1f9a s TYR 96 Cb -0.16 -2.98 0.04 0.00 -0.11 0.00 0.00 41.96 38.74 1f9a s TYR 96 CO 0.06 -0.88 0.40 0.45 -1.11 0.00 0.00 175.55 174.48 1f9a s SER 97 N 2.04 -0.31 0.00 2.29 0.15 -0.40 -4.60 113.70 112.88 1f9a s SER 97 Ca 0.03 0.25 0.18 0.00 0.70 0.00 0.00 55.95 57.12 1f9a s SER 97 Cb -0.23 0.38 0.23 0.00 -1.71 0.00 0.00 66.02 64.69 1f9a s SER 97 CO 0.00 -0.49 1.17 0.61 1.20 0.00 0.00 173.24 175.74 1f9a n GLY 98 N 1.20 0.96 3.71 9.45 0.00 -1.26 -3.87 105.19 115.37 1f9a n GLY 98 Ca -0.21 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.41 6.95 0.22 1.61 2.47 -1.26 -4.96 114.94 118.56 1f9a s ASN 99 Ca 0.26 2.11 -0.06 0.00 0.42 0.00 0.00 52.86 55.59 1f9a s ASN 99 Cb 0.17 -2.57 0.19 0.00 -1.45 0.00 0.00 41.25 37.58 1f9a s ASN 99 CO 0.24 -0.59 1.70 -0.65 -3.72 0.00 0.00 177.10 174.07 1f9a h PRO 100 N 7.11 0.96 -0.04 0.43 0.11 -1.98 -0.05 132.00 138.54 1f9a h PRO 100 Ca -0.40 -0.28 -0.01 0.00 0.11 0.00 0.00 66.00 65.42 1f9a h PRO 100 Cb 1.20 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1f9a h PRO 100 CO 0.86 0.94 -0.02 1.25 -0.21 0.00 0.00 178.00 180.82 1f9a h LEU 101 N 0.89 0.08 -0.78 2.35 5.85 -1.99 -1.91 115.31 119.80 1f9a h LEU 101 Ca 0.17 -0.40 0.10 0.00 0.84 0.00 0.00 57.88 58.58 1f9a h LEU 101 Cb 0.50 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.43 1f9a h LEU 101 CO 0.02 0.46 0.41 0.58 -0.34 0.00 0.00 178.44 179.58 1f9a h VAL 102 N -0.31 0.85 0.90 1.05 2.07 -1.84 -0.60 116.25 118.38 1f9a h VAL 102 Ca 0.01 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 1f9a h VAL 102 Cb 0.43 0.12 0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1f9a h VAL 102 CO 0.00 0.12 -0.47 -0.09 0.02 0.00 0.00 177.57 177.16 1f9a h ARG 103 N 0.68 -1.21 -0.41 1.57 2.43 -1.01 -2.04 114.38 114.39 1f9a h ARG 103 Ca 0.39 0.08 0.08 0.00 -0.81 0.00 0.00 59.98 59.72 1f9a h ARG 103 Cb 0.41 0.27 -0.09 0.00 -0.42 0.00 0.00 29.97 30.14 1f9a h ARG 103 CO -0.28 -0.80 -0.28 0.28 -1.51 0.00 0.00 179.97 177.38 1f9a h VAL 104 N -1.25 0.29 -0.80 0.20 2.07 -1.20 -0.46 116.25 115.09 1f9a h VAL 104 Ca -0.12 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.49 1f9a h VAL 104 Cb 0.97 0.29 -0.07 0.00 -1.52 0.00 0.00 31.29 30.97 1f9a h VAL 104 CO 0.18 0.00 0.45 -0.07 0.02 0.00 0.00 177.57 178.15 1f9a h LEU 105 N -0.20 0.64 0.12 2.57 3.38 -0.77 -1.47 115.31 119.58 1f9a h LEU 105 Ca 0.19 0.05 -0.30 0.00 0.09 0.00 0.00 57.88 57.91 1f9a h LEU 105 Cb 0.50 -0.07 0.03 0.00 0.09 0.00 0.00 40.66 41.21 1f9a h LEU 105 CO -0.53 0.37 -1.27 -0.26 0.09 0.00 0.00 178.44 176.85 1f9a h PHE 106 N 0.76 0.95 -0.09 1.13 -1.00 -1.35 -2.99 116.94 114.36 1f9a h PHE 106 Ca 0.39 -0.61 -0.07 0.00 2.81 0.00 0.00 57.97 60.48 1f9a h PHE 106 Cb 0.35 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.83 1f9a h PHE 106 CO -0.07 1.46 -0.26 0.93 -1.61 0.00 0.00 178.31 178.76 1f9a h GLU 107 N 0.24 0.16 0.00 1.51 5.08 -1.02 -1.76 114.58 118.79 1f9a h GLU 107 Ca -0.19 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.07 1f9a h GLU 107 Cb 1.94 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.17 1f9a h GLU 107 CO 0.24 0.42 -0.24 0.93 -1.00 0.00 0.00 179.01 179.36 1f9a h GLU 108 N 0.14 0.00 -0.16 2.33 5.08 -1.23 -1.29 114.58 119.45 1f9a h GLU 108 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1f9a h GLU 108 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1f9a h GLU 108 CO 0.04 0.24 0.00 0.54 -1.00 0.00 0.00 179.01 178.82 1f9a n ARG 109 N -4.03 1.51 -0.04 2.33 5.12 -0.76 -4.94 116.66 115.84 1f9a n ARG 109 Ca -0.02 -0.78 0.00 0.00 -1.93 0.00 0.00 57.85 55.12 1f9a n ARG 109 Cb 0.31 -1.29 0.00 0.00 -1.16 0.00 0.00 32.46 30.32 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 0.96 0.63 3.80 -0.13 0.00 -0.49 -5.05 105.19 104.91 1f9a n GLY 110 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.06 3.26 0.05 1.61 1.51 -0.74 -5.00 117.35 115.98 1f9a s TYR 111 Ca 0.00 1.63 -0.30 0.00 -1.01 0.00 0.00 57.07 57.39 1f9a s TYR 111 Cb 0.00 -2.99 -0.05 0.00 -0.11 0.00 0.00 41.96 38.82 1f9a s TYR 111 CO 0.00 -0.40 1.05 -2.00 -1.11 0.00 0.00 175.55 173.09 1f9a s GLU 112 N -2.89 4.55 -0.07 -0.62 2.12 -1.26 -4.20 118.70 116.33 1f9a s GLU 112 Ca 0.61 1.55 0.05 0.00 0.36 0.00 0.00 54.97 57.54 1f9a s GLU 112 Cb -0.15 -3.40 -0.00 0.00 0.26 0.00 0.00 34.13 30.83 1f9a s GLU 112 CO 0.20 -0.05 -0.23 0.08 -0.54 0.00 0.00 175.26 174.71 1f9a s VAL 113 N 0.74 1.95 0.01 3.70 1.01 -1.26 -1.89 120.40 124.66 1f9a s VAL 113 Ca 0.53 -0.99 0.06 0.00 0.00 0.00 0.00 61.98 61.58 1f9a s VAL 113 Cb -0.24 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 1f9a s VAL 113 CO 0.29 0.54 -0.17 -0.54 0.00 0.00 0.00 175.10 175.22 1f9a s LYS 114 N 0.11 1.30 -0.02 2.72 1.02 0.49 -4.97 119.74 120.39 1f9a s LYS 114 Ca -0.11 -0.71 -0.30 0.00 0.02 0.00 0.00 55.97 54.87 1f9a s LYS 114 Cb -0.15 -1.31 -0.05 0.00 -0.52 0.00 0.00 37.83 35.80 1f9a s LYS 114 CO 0.06 0.35 1.45 1.03 -0.92 0.00 0.00 175.35 177.31 1f9a s ARG 115 N -0.71 4.25 0.78 1.68 0.52 -1.25 -1.27 118.95 122.96 1f9a s ARG 115 Ca 0.06 2.00 -0.11 0.00 -0.52 0.00 0.00 55.73 57.16 1f9a s ARG 115 Cb -0.07 -3.67 0.06 0.00 0.52 0.00 0.00 34.95 31.79 1f9a s ARG 115 CO 0.00 -0.65 1.08 -1.25 0.02 0.00 0.00 175.30 174.51 1f9a s PRO 116 N 2.84 2.22 0.03 3.54 0.04 -1.26 -4.93 135.00 137.47 1f9a s PRO 116 Ca 0.65 0.96 -0.30 0.00 0.04 0.00 0.00 61.00 62.36 1f9a s PRO 116 Cb -0.31 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 1f9a s PRO 116 CO 0.26 -1.61 1.03 -1.21 0.04 0.00 0.00 177.00 175.51 1f9a s GLU 117 N -4.99 4.55 0.51 4.56 2.02 -1.26 -4.96 118.70 119.13 1f9a s GLU 117 Ca 0.61 1.50 -0.19 0.00 0.02 0.00 0.00 54.97 56.91 1f9a s GLU 117 Cb -0.16 -3.42 -0.07 0.00 0.10 0.00 0.00 34.13 30.57 1f9a s GLU 117 CO 0.56 -0.06 1.03 -1.64 0.02 0.00 0.00 175.26 175.16 1f9a s MET 118 N 0.88 3.74 -0.10 1.61 -1.94 -1.26 -4.84 119.30 117.39 1f9a s MET 118 Ca 0.53 1.25 -0.02 0.00 -1.71 0.00 0.00 55.69 55.74 1f9a s MET 118 Cb -0.23 -2.09 0.04 0.00 2.01 0.00 0.00 34.83 34.55 1f9a s MET 118 CO 0.29 -0.47 0.01 -0.06 -0.01 0.00 0.00 175.02 174.78 1f9a s PHE 119 N -2.19 0.73 -1.27 -0.03 0.40 -1.26 -4.89 117.98 109.47 1f9a s PHE 119 Ca 0.65 -0.33 -0.02 0.00 -0.60 0.00 0.00 56.93 56.63 1f9a s PHE 119 Cb -0.15 -0.85 0.01 0.00 0.51 0.00 0.00 43.02 42.54 1f9a s PHE 119 CO 0.25 -0.40 0.96 -1.71 0.70 0.00 0.00 175.22 175.02 1f9a n ASN 120 N 5.13 -2.71 0.09 1.36 5.15 -1.26 -4.66 115.26 118.37 1f9a n ASN 120 Ca -0.07 -0.66 0.12 0.00 -0.60 0.00 0.00 54.58 53.36 1f9a n ASN 120 Cb 0.49 -4.81 0.45 0.00 -0.53 0.00 0.00 39.78 35.38 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 -4.34 0.17 0.15 1.20 5.12 -1.26 0.38 116.66 118.08 1f9a n ARG 121 Ca -0.23 0.29 0.01 0.00 -1.93 0.00 0.00 57.85 56.00 1f9a n ARG 121 Cb 0.65 -1.76 0.21 0.00 -1.16 0.00 0.00 32.46 30.39 1f9a n ARG 121 CO 0.00 0.00 0.00 1.57 -1.93 0.00 0.00 177.63 177.27 1f9a h LYS 122 N 0.00 0.00 0.00 5.56 2.10 -2.02 -3.36 116.57 118.85 1f9a h LYS 122 Ca 0.00 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 58.30 1f9a h LYS 122 Cb 0.47 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.74 1f9a h LYS 122 CO 0.00 0.54 -2.30 0.39 -2.00 0.00 0.00 179.45 176.08 1f9a n GLU 123 N -3.62 0.56 -2.78 0.07 1.02 -0.45 -4.79 120.64 110.64 1f9a n GLU 123 Ca -0.00 0.14 -0.43 0.00 -0.02 0.00 0.00 57.16 56.84 1f9a n GLU 123 Cb 0.60 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.58 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 -3.26 4.11 -3.69 -0.32 0.53 0.16 -4.50 117.16 110.18 1f9a n TYR 124 Ca -0.41 -3.16 -0.12 0.00 -1.02 0.00 0.00 57.90 53.19 1f9a n TYR 124 Cb 0.92 -1.99 -0.09 0.00 -1.03 0.00 0.00 39.34 37.15 1f9a n TYR 124 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 1f9a s SER 125 N 1.65 -0.57 0.11 7.72 0.15 -1.26 -4.64 113.70 116.87 1f9a s SER 125 Ca 0.40 1.03 -0.29 0.00 0.70 0.00 0.00 55.95 57.79 1f9a s SER 125 Cb 0.01 0.98 -0.09 0.00 -1.71 0.00 0.00 66.02 65.22 1f9a s SER 125 CO 0.00 -0.19 1.61 1.23 1.20 0.00 0.00 173.24 177.10 1f9a h GLY 126 N 6.07 -0.65 -0.70 9.45 0.00 -1.85 0.09 103.07 115.48 1f9a h GLY 126 Ca -0.31 0.40 0.20 0.00 0.00 0.00 0.00 47.33 47.62 1f9a h GLY 126 CO 0.22 -0.25 -0.08 -0.84 0.00 0.00 0.00 176.54 175.59 1f9a h THR 127 N -0.57 0.16 -0.05 4.70 2.02 -1.96 0.20 112.91 117.40 1f9a h THR 127 Ca 0.03 -0.01 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 1f9a h THR 127 Cb 0.59 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1f9a h THR 127 CO -0.19 0.01 -0.07 -0.08 0.37 0.00 0.00 175.52 175.55 1f9a h GLU 128 N 0.03 0.14 -0.20 6.66 4.57 -1.69 -0.99 114.58 123.11 1f9a h GLU 128 Ca 0.47 -0.08 0.06 0.00 -1.18 0.00 0.00 59.36 58.62 1f9a h GLU 128 Cb 0.84 0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 29.37 1f9a h GLU 128 CO -0.84 0.63 -0.32 0.82 -1.18 0.00 0.00 179.01 178.12 1f9a h ILE 129 N -0.33 0.28 -0.72 2.32 2.04 -0.73 -1.34 117.51 119.03 1f9a h ILE 129 Ca 0.01 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.89 1f9a h ILE 129 Cb 0.61 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 1f9a h ILE 129 CO 0.02 0.00 0.46 0.03 0.00 0.00 0.00 178.15 178.65 1f9a h ARG 130 N -0.35 0.88 -0.99 2.37 3.08 -0.60 0.03 114.38 118.79 1f9a h ARG 130 Ca 0.12 -0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.19 1f9a h ARG 130 Cb 0.54 -0.20 -0.07 0.00 0.08 0.00 0.00 29.97 30.32 1f9a h ARG 130 CO -0.40 0.58 0.63 -0.09 -1.07 0.00 0.00 179.97 179.62 1f9a h ARG 131 N 0.90 1.09 -0.36 0.04 2.43 -0.83 -0.76 114.38 116.89 1f9a h ARG 131 Ca 0.28 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.34 1f9a h ARG 131 Cb -0.02 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.27 1f9a h ARG 131 CO -0.09 0.72 0.04 0.00 -1.51 0.00 0.00 179.97 179.12 1f9a h ARG 132 N 1.13 0.61 -0.59 0.20 3.08 -0.59 -1.80 114.38 116.42 1f9a h ARG 132 Ca 0.44 -0.18 0.07 0.00 0.07 0.00 0.00 59.98 60.38 1f9a h ARG 132 Cb 0.22 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.15 1f9a h ARG 132 CO -0.19 0.70 0.27 0.52 -1.07 0.00 0.00 179.97 180.20 1f9a h MET 133 N 0.44 0.49 0.00 0.04 2.86 -0.61 -0.13 114.93 118.02 1f9a h MET 133 Ca 0.11 -0.03 -0.17 0.00 -2.06 0.00 0.00 59.70 57.55 1f9a h MET 133 Cb 0.40 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 1f9a h MET 133 CO 0.01 0.32 -0.81 -0.07 1.06 0.00 0.00 176.91 177.43 1f9a h LEU 134 N 0.50 0.00 -2.12 1.22 3.38 -1.06 -3.28 115.31 113.96 1f9a h LEU 134 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1f9a h LEU 134 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1f9a h LEU 134 CO -0.23 0.81 0.00 -0.46 0.09 0.00 0.00 178.44 178.65 1f9a n ASN 135 N -3.52 3.16 0.00 -0.43 0.23 -0.68 -4.98 115.26 109.03 1f9a n ASN 135 Ca -0.00 -1.96 0.00 0.00 -0.53 0.00 0.00 54.58 52.09 1f9a n ASN 135 Cb 0.79 -0.13 0.00 0.00 -2.08 0.00 0.00 39.78 38.36 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 1.35 0.96 3.98 4.83 0.00 -0.15 -5.03 105.19 111.13 1f9a n GLY 136 Ca 0.16 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.30 1.17 0.33 1.61 2.02 -0.66 -5.03 118.70 117.84 1f9a s GLU 137 Ca 0.00 -0.97 -0.20 0.00 0.02 0.00 0.00 54.97 53.82 1f9a s GLU 137 Cb 0.00 -2.16 -0.10 0.00 0.10 0.00 0.00 34.13 31.98 1f9a s GLU 137 CO 0.00 -1.89 0.84 0.15 0.02 0.00 0.00 175.26 174.38 1f9a s LYS 138 N -5.44 4.26 0.00 1.61 -0.14 -1.26 -4.57 119.74 114.19 1f9a s LYS 138 Ca 0.70 0.99 0.00 0.00 -1.36 0.00 0.00 55.97 56.30 1f9a s LYS 138 Cb -0.04 -2.55 0.00 0.00 -1.68 0.00 0.00 37.83 33.56 1f9a s LYS 138 CO 0.48 0.19 0.00 -2.67 -0.76 0.00 0.00 175.35 172.59 1f9a n TRP 139 N 0.03 0.00 -0.34 3.18 4.27 -1.26 -4.93 117.44 118.39 1f9a n TRP 139 Ca 0.03 0.00 0.21 0.00 -3.89 0.00 0.00 57.50 53.85 1f9a n TRP 139 Cb 0.52 0.00 0.45 0.00 -1.36 0.00 0.00 31.31 30.92 1f9a n TRP 139 CO 0.00 0.00 0.00 0.93 -2.29 0.00 0.00 177.69 176.33 1f9a h GLU 140 N 0.00 0.45 -0.02 -2.67 5.08 -1.92 -0.02 114.58 115.48 1f9a h GLU 140 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1f9a h GLU 140 Cb 0.00 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1f9a h GLU 140 CO 0.00 0.30 0.00 -2.39 -1.00 0.00 0.00 179.01 175.92 1f9a n HIS 141 N -4.79 0.03 0.39 4.33 1.44 -1.26 -2.16 115.22 113.20 1f9a n HIS 141 Ca 0.27 -0.01 0.12 0.00 -2.01 0.00 0.00 57.72 56.09 1f9a n HIS 141 Cb 0.85 0.00 0.08 0.00 0.12 0.00 0.00 29.99 31.03 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 -0.51 0.73 -4.38 2.39 4.77 -0.02 -4.95 117.00 115.03 1f9a n LEU 142 Ca 0.20 0.22 -0.19 0.00 -0.03 0.00 0.00 56.01 56.20 1f9a n LEU 142 Cb 0.18 -0.12 -0.10 0.00 -2.33 0.00 0.00 43.42 41.05 1f9a n LEU 142 CO 0.15 -0.08 -0.41 0.68 -1.33 0.00 0.00 177.39 176.40 1f9a s VAL 143 N -3.25 1.68 1.02 4.08 -7.23 -0.92 -1.40 120.40 114.39 1f9a s VAL 143 Ca 0.03 -2.18 -0.11 0.00 -1.81 0.00 0.00 61.98 57.91 1f9a s VAL 143 Cb 0.12 -2.21 0.21 0.00 0.56 0.00 0.00 36.38 35.06 1f9a s VAL 143 CO 0.76 -0.47 1.09 -2.84 -0.31 0.00 0.00 175.10 173.33 1f9a s PRO 144 N -3.68 0.18 0.28 4.82 0.02 -1.26 -4.74 135.00 130.61 1f9a s PRO 144 Ca 0.25 1.21 -0.00 0.00 0.02 0.00 0.00 61.00 62.48 1f9a s PRO 144 Cb 0.01 -1.65 0.40 0.00 0.02 0.00 0.00 34.50 33.28 1f9a s PRO 144 CO 0.09 -3.10 1.78 0.87 -0.33 0.00 0.00 177.00 176.31 1f9a h LYS 145 N -2.19 0.70 -0.32 5.54 1.57 -1.99 -2.84 116.57 117.04 1f9a h LYS 145 Ca -0.52 -0.19 0.03 0.00 -1.87 0.00 0.00 60.65 58.10 1f9a h LYS 145 Cb 1.30 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.51 1f9a h LYS 145 CO 0.46 0.73 0.22 0.00 -0.57 0.00 0.00 179.45 180.29 1f9a h ALA 146 N 1.32 1.89 0.44 3.86 0.00 -1.90 0.24 119.26 125.11 1f9a h ALA 146 Ca 0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1f9a h ALA 146 Cb 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1f9a h ALA 146 CO 0.02 0.07 -0.21 0.28 0.00 0.00 0.00 179.25 179.41 1f9a h VAL 147 N 0.33 0.13 -0.49 0.00 2.07 -1.76 -2.60 116.25 113.93 1f9a h VAL 147 Ca 0.13 -0.59 0.07 0.00 0.82 0.00 0.00 66.70 67.12 1f9a h VAL 147 Cb 0.11 0.20 -0.07 0.00 -1.52 0.00 0.00 31.29 30.01 1f9a h VAL 147 CO -0.03 0.03 -0.22 0.52 0.02 0.00 0.00 177.57 177.89 1f9a n VAL 148 N -5.17 -0.28 -0.25 2.57 0.31 -1.12 -0.26 118.33 114.13 1f9a n VAL 148 Ca -0.08 1.17 0.00 0.00 -0.01 0.00 0.00 64.34 65.42 1f9a n VAL 148 Cb 0.26 -1.51 0.12 0.00 -0.91 0.00 0.00 33.84 31.80 1f9a n VAL 148 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1f9a h ASP 149 N 0.00 0.55 -0.25 4.52 3.32 -0.90 -2.40 116.42 121.26 1f9a h ASP 149 Ca 0.14 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.18 1f9a h ASP 149 Cb 0.27 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1f9a h ASP 149 CO -0.48 0.34 -0.06 0.58 -1.72 0.00 0.00 179.24 177.89 1f9a h VAL 150 N 0.69 1.28 -0.67 -1.35 2.07 -0.67 -1.03 116.25 116.57 1f9a h VAL 150 Ca 0.33 -1.07 0.05 0.00 0.82 0.00 0.00 66.70 66.83 1f9a h VAL 150 Cb 0.27 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 1f9a h VAL 150 CO -0.22 0.33 0.44 0.40 0.02 0.00 0.00 177.57 178.55 1f9a h ILE 151 N 0.23 1.06 0.27 4.57 2.04 -0.52 -1.81 117.51 123.35 1f9a h ILE 151 Ca 0.06 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1f9a h ILE 151 Cb 0.53 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1f9a h ILE 151 CO 0.03 0.14 -0.13 0.50 0.00 0.00 0.00 178.15 178.68 1f9a h LYS 152 N 0.75 -0.35 -0.92 2.37 3.64 -1.31 0.36 116.57 121.11 1f9a h LYS 152 Ca 0.28 0.02 0.21 0.00 -1.27 0.00 0.00 60.65 59.89 1f9a h LYS 152 Cb 0.16 0.08 -0.17 0.00 -0.41 0.00 0.00 32.23 31.88 1f9a h LYS 152 CO -0.08 -0.16 -0.10 1.49 -2.27 0.00 0.00 179.45 178.33 1f9a h GLU 153 N -0.46 0.02 -0.39 1.90 4.81 -0.38 -2.30 114.58 117.78 1f9a h GLU 153 Ca -0.04 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1f9a h GLU 153 Cb 0.35 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1f9a h GLU 153 CO 0.06 0.01 0.00 0.44 -0.73 0.00 0.00 179.01 178.79 1f9a n ILE 154 N -5.51 0.52 -3.94 2.32 -5.35 -0.80 -4.92 119.36 101.67 1f9a n ILE 154 Ca 0.17 -0.76 -0.39 0.00 -0.27 0.00 0.00 62.75 61.50 1f9a n ILE 154 Cb 0.57 0.96 0.02 0.00 -1.74 0.00 0.00 39.64 39.45 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 1.45 -0.84 -0.02 6.28 5.02 -0.87 -4.88 118.16 124.31 1f9a n LYS 155 Ca 0.19 0.23 -0.11 0.00 -2.02 0.00 0.00 58.31 56.60 1f9a n LYS 155 Cb 0.59 -3.30 -0.06 0.00 -0.02 0.00 0.00 35.03 32.25 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 -2.27 0.16 0.59 0.72 0.00 -1.21 -2.23 103.07 98.82 1f9a h GLY 156 Ca -0.69 -0.08 0.08 0.00 0.00 0.00 0.00 47.33 46.64 1f9a h GLY 156 CO 0.52 0.08 0.49 -2.08 0.00 0.00 0.00 176.54 175.55 1f9a h VAL 157 N 0.03 0.95 -0.26 4.60 2.07 -1.92 -1.96 116.25 119.76 1f9a h VAL 157 Ca 0.04 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1f9a h VAL 157 Cb 0.14 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 1f9a h VAL 157 CO -0.00 0.15 0.17 -0.33 0.02 0.00 0.00 177.57 177.58 1f9a h GLU 158 N 0.84 0.34 -0.09 1.57 5.08 -1.89 -1.63 114.58 118.79 1f9a h GLU 158 Ca 0.39 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.77 1f9a h GLU 158 Cb 0.30 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 1f9a h GLU 158 CO -0.22 0.22 -0.20 -0.09 -1.00 0.00 0.00 179.01 177.72 1f9a h ARG 159 N 0.35 -0.26 -0.75 2.33 2.43 -1.21 -0.20 114.38 117.06 1f9a h ARG 159 Ca 0.10 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.37 1f9a h ARG 159 Cb -0.04 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.50 1f9a h ARG 159 CO -0.02 -0.18 0.40 1.25 -1.51 0.00 0.00 179.97 179.92 1f9a h LEU 160 N -0.27 0.56 -0.54 3.80 5.85 -1.13 -1.01 115.31 122.57 1f9a h LEU 160 Ca 0.09 0.05 -0.14 0.00 0.84 0.00 0.00 57.88 58.72 1f9a h LEU 160 Cb 0.40 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1f9a h LEU 160 CO -0.25 0.33 -0.67 0.03 -0.34 0.00 0.00 178.44 177.53 1f9a h ARG 161 N 0.69 0.00 -0.29 1.25 3.08 -1.10 -2.34 114.38 115.67 1f9a h ARG 161 Ca 0.36 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.25 1f9a h ARG 161 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1f9a h ARG 161 CO -0.25 0.67 -0.46 0.87 -1.07 0.00 0.00 179.97 179.74 1f9a h LYS 162 N 0.00 0.76 0.00 0.04 1.57 -0.50 -2.54 116.57 115.89 1f9a h LYS 162 Ca -0.01 -0.43 -0.03 0.00 -1.87 0.00 0.00 60.65 58.31 1f9a h LYS 162 Cb 1.26 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.59 1f9a h LYS 162 CO 0.09 1.06 -0.14 -0.07 -0.57 0.00 0.00 179.45 179.82 1f9a h LEU 163 N 0.61 0.00 0.00 2.94 3.38 -0.71 -3.51 115.31 118.01 1f9a h LEU 163 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1f9a h LEU 163 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1f9a h LEU 163 CO 0.10 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.77