#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fdu n ARG 2 N 0.00 0.00 -1.65 0.00 5.12 0.88 -4.57 116.66 116.44 1fdu n ARG 2 Ca 0.00 0.06 -0.43 0.00 -1.93 0.00 0.00 57.85 55.55 1fdu n ARG 2 Cb 0.00 -0.54 -0.03 0.00 -1.16 0.00 0.00 32.46 30.73 1fdu n ARG 2 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1fdu n THR 3 N -2.39 0.66 -3.07 0.55 -1.04 0.38 -4.63 114.28 104.74 1fdu n THR 3 Ca 0.00 -0.21 -0.43 0.00 -2.04 0.00 0.00 64.05 61.37 1fdu n THR 3 Cb 0.00 -2.33 -0.06 0.00 -1.82 0.00 0.00 70.33 66.12 1fdu n THR 3 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1fdu s VAL 4 N 5.33 4.80 -0.11 12.58 1.01 -1.26 -0.48 120.40 142.28 1fdu s VAL 4 Ca 0.92 0.32 -0.06 0.00 0.00 0.00 0.00 61.98 63.16 1fdu s VAL 4 Cb -0.44 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 31.70 1fdu s VAL 4 CO 0.42 -0.56 0.13 -0.69 0.00 0.00 0.00 175.10 174.40 1fdu s VAL 5 N 2.91 5.41 -0.16 2.92 1.01 0.58 -0.41 120.40 132.66 1fdu s VAL 5 Ca 0.25 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.37 1fdu s VAL 5 Cb -0.14 -3.37 0.03 0.00 0.00 0.00 0.00 36.38 32.91 1fdu s VAL 5 CO 0.19 0.59 -0.09 -0.22 0.00 0.00 0.00 175.10 175.57 1fdu s LEU 6 N -1.10 1.77 -0.06 3.92 0.20 0.71 -1.45 118.68 122.68 1fdu s LEU 6 Ca 0.16 -0.64 0.04 0.00 0.69 0.00 0.00 54.13 54.38 1fdu s LEU 6 Cb -0.12 -1.06 -0.00 0.00 -0.43 0.00 0.00 46.19 44.58 1fdu s LEU 6 CO 0.05 -0.13 -0.19 -0.63 -0.29 0.00 0.00 176.35 175.16 1fdu s ILE 7 N 1.54 1.59 -0.05 6.68 1.01 -1.01 0.28 121.20 131.25 1fdu s ILE 7 Ca 0.02 -0.79 -0.01 0.00 0.00 0.00 0.00 60.65 59.86 1fdu s ILE 7 Cb -0.15 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 1fdu s ILE 7 CO -0.09 0.45 0.04 0.42 0.00 0.00 0.00 174.94 175.77 1fdu s THR 8 N 0.14 4.52 0.00 2.92 -4.23 -1.09 0.48 115.64 118.39 1fdu s THR 8 Ca -0.08 -0.32 0.00 0.00 -1.18 0.00 0.00 61.69 60.11 1fdu s THR 8 Cb -0.14 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.72 1fdu s THR 8 CO 0.04 0.49 0.00 0.61 -0.54 0.00 0.00 174.62 175.21 1fdu n GLY 9 N 1.69 0.55 1.79 3.99 0.00 -1.22 -1.87 105.19 110.13 1fdu n GLY 9 Ca -0.16 -0.42 -0.03 0.00 0.00 0.00 0.00 46.02 45.40 1fdu n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fdu n SER 11 N -0.25 0.04 -0.74 0.00 3.41 -1.26 -3.93 113.62 110.90 1fdu n SER 11 Ca 0.37 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 59.41 1fdu n SER 11 Cb 1.29 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.81 1fdu n SER 11 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1fdu n SER 12 N -1.50 0.00 0.00 4.04 3.41 -1.26 -4.67 113.62 113.65 1fdu n SER 12 Ca 0.07 -0.74 0.00 0.00 -0.26 0.00 0.00 58.87 57.94 1fdu n SER 12 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1fdu n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fdu n GLY 13 N 0.00 1.30 0.37 5.00 0.00 -1.26 -1.19 105.19 109.41 1fdu n GLY 13 Ca 0.00 -0.32 0.09 0.00 0.00 0.00 0.00 46.02 45.80 1fdu n GLY 13 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1fdu h ILE 14 N 0.00 0.90 0.21 -0.61 5.03 -1.88 -2.47 117.51 118.68 1fdu h ILE 14 Ca 0.00 -0.27 0.00 0.00 -0.12 0.00 0.00 64.86 64.47 1fdu h ILE 14 Cb 0.00 0.03 -0.02 0.00 -3.03 0.00 0.00 36.82 33.81 1fdu h ILE 14 CO 0.00 0.15 -0.20 1.23 -0.68 0.00 0.00 178.15 178.64 1fdu h GLY 15 N 0.80 -0.44 0.22 5.37 0.00 -1.34 0.15 103.07 107.84 1fdu h GLY 15 Ca 0.43 0.23 0.00 0.00 0.00 0.00 0.00 47.33 48.00 1fdu h GLY 15 CO -0.20 -0.19 -0.48 -2.00 0.00 0.00 0.00 176.54 173.68 1fdu h LEU 16 N -0.44 -1.39 -0.83 3.11 6.46 -0.76 -0.06 115.31 121.40 1fdu h LEU 16 Ca -0.00 0.14 0.01 0.00 -0.12 0.00 0.00 57.88 57.91 1fdu h LEU 16 Cb 0.41 0.50 -0.04 0.00 -0.73 0.00 0.00 40.66 40.79 1fdu h LEU 16 CO -0.05 -0.54 0.55 0.45 -0.62 0.00 0.00 178.44 178.23 1fdu h HIS 17 N -0.76 1.04 -0.52 1.25 3.86 -1.30 -1.73 115.15 116.99 1fdu h HIS 17 Ca -0.02 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.19 1fdu h HIS 17 Cb 0.72 -0.35 -0.02 0.00 1.06 0.00 0.00 27.41 28.82 1fdu h HIS 17 CO -0.38 0.65 0.22 1.25 0.86 0.00 0.00 177.93 180.53 1fdu h LEU 18 N 1.11 0.71 -0.48 2.43 5.85 -0.46 0.76 115.31 125.23 1fdu h LEU 18 Ca 0.31 -0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.94 1fdu h LEU 18 Cb -0.11 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.68 1fdu h LEU 18 CO -0.07 0.67 0.13 0.00 -0.34 0.00 0.00 178.44 178.83 1fdu h ALA 19 N 1.06 0.56 0.00 1.25 0.00 -0.17 -2.30 119.26 119.66 1fdu h ALA 19 Ca 0.18 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1fdu h ALA 19 Cb 0.17 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1fdu h ALA 19 CO -0.02 -0.27 -0.54 -0.39 0.00 0.00 0.00 179.25 178.03 1fdu h VAL 20 N 0.28 0.00 0.63 0.00 -1.51 -1.22 -2.58 116.25 111.85 1fdu h VAL 20 Ca 0.23 -0.95 -0.03 0.00 -1.23 0.00 0.00 66.70 64.73 1fdu h VAL 20 Cb 0.28 1.67 0.01 0.00 -2.13 0.00 0.00 31.29 31.11 1fdu h VAL 20 CO -0.27 0.00 -0.30 -0.09 -1.23 0.00 0.00 177.57 175.67 1fdu h ARG 21 N 0.00 -0.82 -0.23 5.19 9.65 -0.34 -1.75 114.38 126.09 1fdu h ARG 21 Ca 0.00 0.06 0.06 0.00 -1.10 0.00 0.00 59.98 59.00 1fdu h ARG 21 Cb 0.97 0.19 -0.07 0.00 -1.39 0.00 0.00 29.97 29.67 1fdu h ARG 21 CO 0.00 -0.51 -0.29 -0.07 2.80 0.00 0.00 179.97 181.90 1fdu h LEU 22 N -1.12 -0.94 -1.19 3.80 3.38 -1.55 -2.45 115.31 115.23 1fdu h LEU 22 Ca -0.09 0.15 0.09 0.00 0.09 0.00 0.00 57.88 58.13 1fdu h LEU 22 Cb 0.69 0.42 -0.06 0.00 0.09 0.00 0.00 40.66 41.80 1fdu h LEU 22 CO 0.14 -0.32 0.58 0.00 0.09 0.00 0.00 178.44 178.92 1fdu h ALA 23 N 0.62 1.61 -0.33 1.53 0.00 -1.46 -1.28 119.26 119.94 1fdu h ALA 23 Ca 0.13 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1fdu h ALA 23 Cb 0.52 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1fdu h ALA 23 CO -0.41 0.22 0.13 -1.13 0.00 0.00 0.00 179.25 178.07 1fdu n SER 24 N -4.52 3.17 -4.73 0.00 3.41 -0.66 -4.59 113.62 105.70 1fdu n SER 24 Ca 0.15 -2.53 -0.41 0.00 -0.26 0.00 0.00 58.87 55.81 1fdu n SER 24 Cb 0.28 -0.61 -0.04 0.00 -0.26 0.00 0.00 64.21 63.58 1fdu n SER 24 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1fdu s ASP 25 N -0.17 7.20 0.15 4.04 -1.08 -0.49 -4.93 116.67 121.39 1fdu s ASP 25 Ca 0.24 2.10 -0.23 0.00 -0.52 0.00 0.00 52.55 54.13 1fdu s ASP 25 Cb 0.19 -2.60 0.02 0.00 -1.46 0.00 0.00 42.92 39.07 1fdu s ASP 25 CO 0.06 -0.30 1.63 -0.65 0.52 0.00 0.00 175.17 176.43 1fdu h PRO 26 N 5.48 -0.26 -0.96 4.34 0.11 -1.91 0.34 132.00 139.14 1fdu h PRO 26 Ca -0.44 0.02 0.30 0.00 0.11 0.00 0.00 66.00 65.99 1fdu h PRO 26 Cb 1.21 0.06 -0.15 0.00 0.11 0.00 0.00 31.00 32.23 1fdu h PRO 26 CO 0.74 -0.17 0.40 0.66 -0.21 0.00 0.00 178.00 179.42 1fdu h SER 27 N -0.27 0.22 -1.63 -2.05 4.64 -1.97 -3.43 113.55 109.06 1fdu h SER 27 Ca 0.13 0.21 -0.25 0.00 -0.47 0.00 0.00 61.79 61.41 1fdu h SER 27 Cb 0.47 0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.76 1fdu h SER 27 CO -0.38 -0.20 -0.31 1.67 -0.87 0.00 0.00 176.83 176.74 1fdu n GLN 28 N -5.18 -0.99 0.08 4.77 7.27 0.12 -4.89 117.38 118.57 1fdu n GLN 28 Ca 0.28 0.66 0.12 0.00 0.07 0.00 0.00 57.00 58.13 1fdu n GLN 28 Cb 0.89 -4.84 0.24 0.00 2.41 0.00 0.00 30.24 28.94 1fdu n GLN 28 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1fdu h SER 29 N 0.00 0.00 -3.04 1.69 4.64 -1.84 -3.40 113.55 111.60 1fdu h SER 29 Ca -0.29 -0.13 -0.65 0.00 -0.47 0.00 0.00 61.79 60.25 1fdu h SER 29 Cb 1.17 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.17 1fdu h SER 29 CO 0.36 0.06 -0.56 -0.36 -0.87 0.00 0.00 176.83 175.47 1fdu s PHE 30 N -3.16 3.34 -0.10 4.77 0.08 -1.26 0.15 117.98 121.81 1fdu s PHE 30 Ca 0.07 0.22 -0.00 0.00 0.12 0.00 0.00 56.93 57.34 1fdu s PHE 30 Cb 0.12 -1.74 -0.03 0.00 -0.57 0.00 0.00 43.02 40.81 1fdu s PHE 30 CO 0.68 0.57 -0.08 0.21 -0.10 0.00 0.00 175.22 176.51 1fdu s LYS 31 N -1.94 3.03 -0.17 0.44 2.47 0.37 -4.24 119.74 119.71 1fdu s LYS 31 Ca 0.26 -0.58 0.01 0.00 -1.56 0.00 0.00 55.97 54.10 1fdu s LYS 31 Cb -0.12 -2.65 0.03 0.00 -1.46 0.00 0.00 37.83 33.62 1fdu s LYS 31 CO 0.17 0.50 -0.15 0.08 0.16 0.00 0.00 175.35 176.11 1fdu s VAL 32 N -0.36 1.75 -0.53 4.02 1.01 -0.79 -0.31 120.40 125.20 1fdu s VAL 32 Ca 0.05 -0.85 -0.15 0.00 0.00 0.00 0.00 61.98 61.03 1fdu s VAL 32 Cb -0.12 -1.67 0.12 0.00 0.00 0.00 0.00 36.38 34.70 1fdu s VAL 32 CO 0.02 0.39 0.47 -0.31 0.00 0.00 0.00 175.10 175.68 1fdu s TYR 33 N 1.39 3.27 -0.32 5.22 1.51 -0.53 -1.35 117.35 126.55 1fdu s TYR 33 Ca 0.03 -1.31 -0.23 0.00 -1.01 0.00 0.00 57.07 54.54 1fdu s TYR 33 Cb -0.14 -3.70 0.00 0.00 -0.11 0.00 0.00 41.96 38.01 1fdu s TYR 33 CO -0.11 -0.99 0.79 0.00 -1.11 0.00 0.00 175.55 174.13 1fdu s ALA 34 N 1.58 3.51 0.19 3.71 0.00 -0.32 -2.39 121.76 128.04 1fdu s ALA 34 Ca 0.03 -0.47 0.01 0.00 0.00 0.00 0.00 51.96 51.54 1fdu s ALA 34 Cb -0.29 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 1fdu s ALA 34 CO 0.03 -1.27 0.35 0.95 0.00 0.00 0.00 175.76 175.82 1fdu s THR 35 N 3.00 5.26 -0.03 0.00 -4.23 0.18 -1.99 115.64 117.84 1fdu s THR 35 Ca 0.32 -0.58 0.02 0.00 -1.18 0.00 0.00 61.69 60.27 1fdu s THR 35 Cb -0.14 -3.76 0.00 0.00 1.34 0.00 0.00 72.50 69.95 1fdu s THR 35 CO 0.14 -0.18 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.19 1fdu s LEU 36 N -3.42 1.75 0.45 4.79 1.02 0.23 -1.60 118.68 121.91 1fdu s LEU 36 Ca 0.36 -0.17 0.19 0.00 0.02 0.00 0.00 54.13 54.53 1fdu s LEU 36 Cb -0.11 -0.52 1.15 0.00 0.02 0.00 0.00 46.19 46.73 1fdu s LEU 36 CO 0.29 0.05 1.92 -0.09 0.02 0.00 0.00 176.35 178.55 1fdu h ARG 37 N 6.45 0.30 -2.31 1.70 2.43 -1.85 -2.25 114.38 118.84 1fdu h ARG 37 Ca -0.33 -0.02 -0.30 0.00 -0.81 0.00 0.00 59.98 58.52 1fdu h ARG 37 Cb 1.17 -0.07 -0.34 0.00 -0.42 0.00 0.00 29.97 30.31 1fdu h ARG 37 CO 0.49 0.20 -0.61 0.34 -1.51 0.00 0.00 179.97 178.87 1fdu s ASP 38 N -5.93 1.37 0.42 -3.80 -1.08 -1.26 -4.50 116.67 101.89 1fdu s ASP 38 Ca -0.07 -0.37 0.22 0.00 -0.52 0.00 0.00 52.55 51.81 1fdu s ASP 38 Cb 0.21 0.51 1.19 0.00 -1.46 0.00 0.00 42.92 43.37 1fdu s ASP 38 CO 0.76 -0.35 1.76 -0.07 0.52 0.00 0.00 175.17 177.80 1fdu h LEU 39 N 8.28 0.37 -0.87 -1.34 3.38 -1.88 -0.29 115.31 122.96 1fdu h LEU 39 Ca -0.16 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1fdu h LEU 39 Cb 1.12 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1fdu h LEU 39 CO 0.30 0.05 0.13 0.29 0.09 0.00 0.00 178.44 179.30 1fdu n LYS 40 N -4.58 0.09 -0.91 1.13 5.02 -1.26 -1.58 118.16 116.07 1fdu n LYS 40 Ca 0.26 0.55 -0.08 0.00 -2.02 0.00 0.00 58.31 57.03 1fdu n LYS 40 Cb 0.97 -1.92 0.23 0.00 -0.02 0.00 0.00 35.03 34.29 1fdu n LYS 40 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1fdu n THR 41 N -1.97 2.77 1.46 -0.18 -2.24 -0.12 -4.53 114.28 109.47 1fdu n THR 41 Ca -0.01 -2.17 0.14 0.00 -2.27 0.00 0.00 64.05 59.74 1fdu n THR 41 Cb 0.15 -0.36 0.56 0.00 -2.10 0.00 0.00 70.33 68.59 1fdu n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fdu n GLN 42 N -0.83 1.06 -0.24 -0.78 10.64 -0.62 -4.29 117.38 122.31 1fdu n GLN 42 Ca 0.40 -0.50 0.01 0.00 -1.83 0.00 0.00 57.00 55.08 1fdu n GLN 42 Cb 1.26 -1.49 0.13 0.00 -0.86 0.00 0.00 30.24 29.27 1fdu n GLN 42 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.06 176.01 1fdu h GLY 43 N 4.93 1.03 1.32 2.61 0.00 -1.83 -1.48 103.07 109.64 1fdu h GLY 43 Ca 0.00 -0.22 -0.09 0.00 0.00 0.00 0.00 47.33 47.02 1fdu h GLY 43 CO 0.00 0.07 -0.07 3.21 0.00 0.00 0.00 176.54 179.75 1fdu h ARG 44 N 0.60 0.82 -0.06 4.80 3.08 -1.90 -1.11 114.38 120.61 1fdu h ARG 44 Ca 0.34 -0.26 0.04 0.00 0.07 0.00 0.00 59.98 60.17 1fdu h ARG 44 Cb 0.34 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.26 1fdu h ARG 44 CO -0.26 0.86 -0.29 1.25 -1.07 0.00 0.00 179.97 180.47 1fdu h LEU 45 N 0.75 -0.86 -0.14 3.04 7.12 -1.56 -1.58 115.31 122.07 1fdu h LEU 45 Ca 0.13 0.12 0.03 0.00 0.13 0.00 0.00 57.88 58.29 1fdu h LEU 45 Cb 0.55 0.36 -0.02 0.00 -0.53 0.00 0.00 40.66 41.02 1fdu h LEU 45 CO 0.03 -0.34 -0.01 -0.50 -0.13 0.00 0.00 178.44 177.49 1fdu h TRP 46 N -0.40 -0.03 -0.51 1.25 4.06 -1.09 0.34 115.95 119.56 1fdu h TRP 46 Ca 0.08 0.01 0.10 0.00 2.06 0.00 0.00 58.89 61.14 1fdu h TRP 46 Cb 0.51 0.04 -0.08 0.00 -1.00 0.00 0.00 29.16 28.63 1fdu h TRP 46 CO -0.34 -0.04 0.03 0.93 -3.56 0.00 0.00 178.44 175.47 1fdu h GLU 47 N 0.03 0.15 -0.39 0.49 5.08 -0.88 0.37 114.58 119.43 1fdu h GLU 47 Ca 0.07 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 1fdu h GLU 47 Cb 0.09 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1fdu h GLU 47 CO -0.13 0.10 -0.11 0.00 -1.00 0.00 0.00 179.01 177.87 1fdu h ALA 48 N 1.44 1.08 -0.65 3.43 0.00 -0.91 0.73 119.26 124.39 1fdu h ALA 48 Ca 0.26 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1fdu h ALA 48 Cb 0.39 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1fdu h ALA 48 CO -0.40 0.57 0.42 0.00 0.00 0.00 0.00 179.25 179.83 1fdu h ALA 49 N 1.26 0.83 -0.22 0.00 0.00 0.18 -2.10 119.26 119.21 1fdu h ALA 49 Ca 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1fdu h ALA 49 Cb 0.55 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1fdu h ALA 49 CO 0.03 0.20 0.11 0.00 0.00 0.00 0.00 179.25 179.60 1fdu h ARG 50 N 0.83 0.32 -0.46 0.00 3.08 0.06 0.38 114.38 118.59 1fdu h ARG 50 Ca 0.25 -0.04 0.13 0.00 0.07 0.00 0.00 59.98 60.39 1fdu h ARG 50 Cb -0.04 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 1fdu h ARG 50 CO -0.08 0.31 0.41 0.00 -1.07 0.00 0.00 179.97 179.55 1fdu h ALA 51 N 0.99 2.26 -0.19 0.04 0.00 -0.29 0.81 119.26 122.88 1fdu h ALA 51 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1fdu h ALA 51 Cb 0.10 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1fdu h ALA 51 CO -0.01 -0.65 0.00 1.28 0.00 0.00 0.00 179.25 179.87 1fdu n LEU 52 N -3.97 2.46 -3.33 0.00 4.32 -0.84 -5.02 117.00 110.62 1fdu n LEU 52 Ca 0.08 -1.50 -0.14 0.00 -0.02 0.00 0.00 56.01 54.43 1fdu n LEU 52 Cb 0.61 -0.12 0.01 0.00 -1.62 0.00 0.00 43.42 42.30 1fdu n LEU 52 CO 0.31 0.56 0.04 0.00 -1.22 0.00 0.00 177.39 177.07 1fdu n ALA 53 N 0.60 -2.65 -2.55 -1.18 0.00 0.28 -4.86 120.51 110.15 1fdu n ALA 53 Ca 0.09 0.11 -0.43 0.00 0.00 0.00 0.00 53.44 53.22 1fdu n ALA 53 Cb 0.36 -1.64 -0.02 0.00 0.00 0.00 0.00 19.45 18.15 1fdu n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fdu n PRO 55 N 5.50 -0.17 -1.85 0.00 -0.02 -1.26 -4.88 135.00 132.32 1fdu n PRO 55 Ca 0.11 -0.01 -0.41 0.00 -2.02 0.00 0.00 63.50 61.17 1fdu n PRO 55 Cb 0.47 -1.85 -0.01 0.00 -0.02 0.00 0.00 33.50 32.09 1fdu n PRO 55 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1fdu s PRO 56 N -3.47 4.14 0.00 0.52 0.02 -1.26 -2.96 135.00 131.99 1fdu s PRO 56 Ca 0.58 2.52 0.00 0.00 0.02 0.00 0.00 61.00 64.13 1fdu s PRO 56 Cb -0.24 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.30 1fdu s PRO 56 CO 0.66 -0.49 0.00 0.41 -0.33 0.00 0.00 177.00 177.25 1fdu n GLY 57 N 0.62 0.60 0.02 0.52 0.00 -1.26 -4.86 105.19 100.83 1fdu n GLY 57 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.15 1fdu n GLY 57 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fdu n SER 58 N -0.08 0.63 -3.76 1.61 3.41 -1.16 -4.28 113.62 109.99 1fdu n SER 58 Ca 0.00 -0.26 -0.13 0.00 -0.26 0.00 0.00 58.87 58.22 1fdu n SER 58 Cb 0.04 0.57 -0.14 0.00 -0.26 0.00 0.00 64.21 64.43 1fdu n SER 58 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1fdu s LEU 59 N -3.60 0.80 -0.03 1.04 2.96 -1.26 -1.88 118.68 116.71 1fdu s LEU 59 Ca 0.07 0.36 -0.00 0.00 -0.22 0.00 0.00 54.13 54.34 1fdu s LEU 59 Cb 0.15 0.50 0.03 0.00 0.50 0.00 0.00 46.19 47.37 1fdu s LEU 59 CO 0.77 -0.13 0.01 -0.70 -1.32 0.00 0.00 176.35 174.98 1fdu s GLU 60 N 0.94 0.22 0.31 1.98 2.12 -0.45 -4.99 118.70 118.83 1fdu s GLU 60 Ca -0.07 0.13 0.06 0.00 0.36 0.00 0.00 54.97 55.45 1fdu s GLU 60 Cb -0.09 -0.48 -0.02 0.00 0.26 0.00 0.00 34.13 33.81 1fdu s GLU 60 CO -0.05 -0.17 0.40 0.95 -0.54 0.00 0.00 175.26 175.85 1fdu s THR 61 N 1.21 4.26 0.17 -1.70 -4.23 -1.26 -1.17 115.64 112.93 1fdu s THR 61 Ca -0.07 -1.08 -0.16 0.00 -1.18 0.00 0.00 61.69 59.20 1fdu s THR 61 Cb -0.13 -3.47 0.03 0.00 1.34 0.00 0.00 72.50 70.26 1fdu s THR 61 CO -0.02 -0.21 0.46 -0.76 -0.54 0.00 0.00 174.62 173.55 1fdu s LEU 62 N -4.09 0.26 -0.18 4.79 1.43 -0.84 -4.89 118.68 115.16 1fdu s LEU 62 Ca 0.41 -0.48 -0.16 0.00 -1.03 0.00 0.00 54.13 52.88 1fdu s LEU 62 Cb -0.09 1.95 -0.04 0.00 0.03 0.00 0.00 46.19 48.05 1fdu s LEU 62 CO 0.30 -0.98 0.38 -1.58 0.23 0.00 0.00 176.35 174.69 1fdu s GLN 63 N -3.86 4.22 -0.24 1.70 2.00 -1.26 0.78 119.66 123.00 1fdu s GLN 63 Ca 0.08 0.20 -0.03 0.00 -2.00 0.00 0.00 55.36 53.61 1fdu s GLN 63 Cb 0.00 -3.50 0.11 0.00 0.80 0.00 0.00 33.01 30.43 1fdu s GLN 63 CO -0.05 0.06 0.28 -1.17 -0.50 0.00 0.00 175.29 173.91 1fdu s LEU 64 N 1.00 -0.26 -0.37 3.68 0.20 -0.85 -4.51 118.68 117.57 1fdu s LEU 64 Ca 0.19 -0.26 -0.12 0.00 0.69 0.00 0.00 54.13 54.63 1fdu s LEU 64 Cb -0.14 0.58 0.02 0.00 -0.43 0.00 0.00 46.19 46.22 1fdu s LEU 64 CO 0.07 -0.34 0.22 -0.62 -0.29 0.00 0.00 176.35 175.39 1fdu s ASP 65 N 2.39 5.80 0.00 3.68 2.15 -1.26 -3.79 116.67 125.63 1fdu s ASP 65 Ca 0.09 -0.88 0.00 0.00 0.43 0.00 0.00 52.55 52.19 1fdu s ASP 65 Cb -0.15 -2.05 0.00 0.00 -0.30 0.00 0.00 42.92 40.41 1fdu s ASP 65 CO -0.18 -0.36 0.91 1.33 -0.17 0.00 0.00 175.17 176.70 1fdu n VAL 66 N 5.03 1.66 1.08 1.11 0.24 -1.26 0.45 118.33 126.64 1fdu n VAL 66 Ca -0.12 0.49 0.14 0.00 -2.04 0.00 0.00 64.34 62.81 1fdu n VAL 66 Cb 0.47 -1.49 0.58 0.00 -1.47 0.00 0.00 33.84 31.93 1fdu n VAL 66 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1fdu n ARG 67 N -1.41 0.10 -3.87 7.34 1.74 -1.26 -4.31 116.66 114.99 1fdu n ARG 67 Ca 0.00 -0.02 -0.29 0.00 -0.77 0.00 0.00 57.85 56.78 1fdu n ARG 67 Cb 0.08 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 29.86 1fdu n ARG 67 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1fdu s ASP 68 N -2.91 3.10 0.63 0.55 2.15 0.17 -5.01 116.67 115.34 1fdu s ASP 68 Ca 0.16 -0.82 0.35 0.00 0.43 0.00 0.00 52.55 52.68 1fdu s ASP 68 Cb 0.19 -0.91 2.03 0.00 -0.30 0.00 0.00 42.92 43.92 1fdu s ASP 68 CO 0.54 -0.22 2.26 0.28 -0.17 0.00 0.00 175.17 177.86 1fdu h SER 69 N 8.10 0.00 0.58 -0.34 0.02 -1.85 0.84 113.55 120.90 1fdu h SER 69 Ca -0.21 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.57 1fdu h SER 69 Cb 1.10 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.63 1fdu h SER 69 CO 0.39 0.00 -0.78 0.11 -1.14 0.00 0.00 176.83 175.41 1fdu h LYS 70 N 0.00 0.15 -0.72 3.45 1.57 -1.95 -1.99 116.57 117.09 1fdu h LYS 70 Ca 0.01 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1fdu h LYS 70 Cb 0.11 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 1fdu h LYS 70 CO -0.00 0.85 0.36 1.03 -0.57 0.00 0.00 179.45 181.13 1fdu h SER 71 N 0.09 0.93 0.06 0.86 0.87 -1.16 -1.80 113.55 113.40 1fdu h SER 71 Ca -0.03 -0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1fdu h SER 71 Cb 1.37 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1fdu h SER 71 CO 0.11 0.79 -0.03 0.58 -0.53 0.00 0.00 176.83 177.75 1fdu h VAL 72 N 1.00 1.03 0.02 2.23 2.07 -1.12 -1.59 116.25 119.89 1fdu h VAL 72 Ca 0.25 -0.32 0.03 0.00 0.82 0.00 0.00 66.70 67.48 1fdu h VAL 72 Cb 0.09 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 1fdu h VAL 72 CO -0.03 0.08 -0.28 0.00 0.02 0.00 0.00 177.57 177.35 1fdu h ALA 73 N 0.71 -0.41 -0.44 1.67 0.00 -1.21 -1.10 119.26 118.48 1fdu h ALA 73 Ca -0.01 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.97 1fdu h ALA 73 Cb 0.19 0.50 -0.10 0.00 0.00 0.00 0.00 17.79 18.38 1fdu h ALA 73 CO 0.01 -0.80 -0.29 0.00 0.00 0.00 0.00 179.25 178.18 1fdu h ALA 74 N 0.33 -0.07 -0.02 0.00 0.00 -1.23 0.19 119.26 118.47 1fdu h ALA 74 Ca 0.06 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1fdu h ALA 74 Cb 0.52 0.66 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 1fdu h ALA 74 CO -0.23 -0.67 -0.44 0.00 0.00 0.00 0.00 179.25 177.91 1fdu h ALA 75 N 0.92 -0.71 -0.89 0.00 0.00 -0.89 -0.86 119.26 116.82 1fdu h ALA 75 Ca 0.19 -0.05 0.24 0.00 0.00 0.00 0.00 54.91 55.30 1fdu h ALA 75 Cb 0.52 0.79 -0.14 0.00 0.00 0.00 0.00 17.79 18.96 1fdu h ALA 75 CO -0.55 -0.98 0.29 -0.09 0.00 0.00 0.00 179.25 177.91 1fdu h ARG 76 N -0.58 0.23 0.00 0.00 2.43 0.06 0.63 114.38 117.15 1fdu h ARG 76 Ca 0.04 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1fdu h ARG 76 Cb 0.67 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1fdu h ARG 76 CO -0.34 0.15 0.00 0.39 -1.51 0.00 0.00 179.97 178.67 1fdu n GLU 77 N -5.19 0.19 -0.38 0.20 1.02 0.55 -2.71 120.64 114.31 1fdu n GLU 77 Ca 0.22 0.09 0.12 0.00 -0.02 0.00 0.00 57.16 57.57 1fdu n GLU 77 Cb 0.71 -1.50 0.33 0.00 -0.02 0.00 0.00 31.44 30.96 1fdu n GLU 77 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1fdu n ARG 78 N -1.38 2.75 -2.81 3.49 5.12 0.22 -4.70 116.66 119.35 1fdu n ARG 78 Ca 0.09 -2.67 -0.44 0.00 -1.93 0.00 0.00 57.85 52.90 1fdu n ARG 78 Cb 0.22 -1.59 0.00 0.00 -1.16 0.00 0.00 32.46 29.93 1fdu n ARG 78 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1fdu n VAL 79 N 1.65 4.16 -0.30 1.55 0.31 -1.10 -4.87 118.33 119.72 1fdu n VAL 79 Ca 0.25 -4.52 0.10 0.00 -0.01 0.00 0.00 64.34 60.16 1fdu n VAL 79 Cb 0.63 -2.43 0.20 0.00 -0.91 0.00 0.00 33.84 31.33 1fdu n VAL 79 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1fdu n THR 80 N 5.08 -0.36 0.14 2.52 -2.24 -1.26 0.88 114.28 119.04 1fdu n THR 80 Ca 0.41 1.92 0.09 0.00 -2.27 0.00 0.00 64.05 64.20 1fdu n THR 80 Cb 0.43 -2.74 0.51 0.00 -2.10 0.00 0.00 70.33 66.43 1fdu n THR 80 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1fdu n GLU 81 N -5.30 0.12 -2.96 -0.78 4.71 -1.26 -4.84 120.64 110.33 1fdu n GLU 81 Ca 0.18 0.62 -0.18 0.00 -0.01 0.00 0.00 57.16 57.77 1fdu n GLU 81 Cb 0.57 -1.90 0.04 0.00 -1.01 0.00 0.00 31.44 29.14 1fdu n GLU 81 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1fdu n GLY 82 N -1.32 -0.26 3.59 0.62 0.00 0.25 -4.98 105.19 103.10 1fdu n GLY 82 Ca -0.01 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 1fdu n GLY 82 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1fdu s ARG 83 N -5.57 0.50 -0.13 1.61 1.70 -1.26 -5.13 118.95 110.68 1fdu s ARG 83 Ca 0.28 0.08 0.02 0.00 -0.47 0.00 0.00 55.73 55.64 1fdu s ARG 83 Cb -0.12 0.23 0.01 0.00 -0.57 0.00 0.00 34.95 34.50 1fdu s ARG 83 CO 0.35 -0.16 -0.17 0.08 -1.08 0.00 0.00 175.30 174.32 1fdu s VAL 84 N -1.27 1.68 -0.07 4.99 1.01 -1.26 -4.83 120.40 120.65 1fdu s VAL 84 Ca 0.01 -0.74 -0.13 0.00 0.00 0.00 0.00 61.98 61.12 1fdu s VAL 84 Cb -0.01 -1.53 -0.29 0.00 0.00 0.00 0.00 36.38 34.55 1fdu s VAL 84 CO -0.01 0.48 0.62 0.44 0.00 0.00 0.00 175.10 176.63 1fdu h ASP 85 N 7.52 0.52 -3.40 3.32 3.32 -1.10 -3.46 116.42 123.15 1fdu h ASP 85 Ca -0.33 -0.91 -0.55 0.00 0.02 0.00 0.00 57.03 55.26 1fdu h ASP 85 Cb 1.17 -0.17 -0.33 0.00 0.22 0.00 0.00 39.33 40.22 1fdu h ASP 85 CO 0.52 1.72 -0.83 -0.69 -1.72 0.00 0.00 179.24 178.24 1fdu s VAL 86 N -2.53 1.31 -0.26 -1.35 1.01 -0.71 -1.54 120.40 116.33 1fdu s VAL 86 Ca -0.18 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 1fdu s VAL 86 Cb 0.05 -1.18 0.03 0.00 0.00 0.00 0.00 36.38 35.27 1fdu s VAL 86 CO 0.82 0.39 -0.03 -0.22 0.00 0.00 0.00 175.10 176.06 1fdu s LEU 87 N 0.60 3.36 -0.38 3.92 2.96 0.11 -0.21 118.68 129.05 1fdu s LEU 87 Ca -0.15 -0.89 -0.11 0.00 -0.22 0.00 0.00 54.13 52.76 1fdu s LEU 87 Cb -0.16 -1.70 0.03 0.00 0.50 0.00 0.00 46.19 44.86 1fdu s LEU 87 CO 0.05 -0.15 0.22 -0.69 -1.32 0.00 0.00 176.35 174.46 1fdu s VAL 88 N 1.35 4.62 -0.53 1.68 1.01 0.14 0.11 120.40 128.78 1fdu s VAL 88 Ca -0.00 -0.89 -0.19 0.00 0.00 0.00 0.00 61.98 60.90 1fdu s VAL 88 Cb -0.17 -3.60 0.07 0.00 0.00 0.00 0.00 36.38 32.69 1fdu s VAL 88 CO -0.03 -0.27 0.63 0.00 0.00 0.00 0.00 175.10 175.43 1fdu n ASN 90 N 6.13 4.15 -4.47 0.00 5.15 -1.15 -1.91 115.26 123.16 1fdu n ASN 90 Ca -0.08 -0.01 -0.47 0.00 -0.60 0.00 0.00 54.58 53.42 1fdu n ASN 90 Cb 0.44 0.19 -0.03 0.00 -0.53 0.00 0.00 39.78 39.86 1fdu n ASN 90 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1fdu n ALA 91 N -2.36 -1.94 -3.57 5.20 0.00 -0.78 -4.85 120.51 112.20 1fdu n ALA 91 Ca -0.03 0.43 -0.06 0.00 0.00 0.00 0.00 53.44 53.78 1fdu n ALA 91 Cb 0.54 -1.76 -0.02 0.00 0.00 0.00 0.00 19.45 18.21 1fdu n ALA 91 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1fdu s GLY 92 N -0.80 -0.38 0.04 0.00 0.00 -1.26 -4.72 107.32 100.20 1fdu s GLY 92 Ca 0.63 1.09 -0.02 0.00 0.00 0.00 0.00 44.72 46.42 1fdu s GLY 92 CO 0.57 0.35 0.00 1.08 0.00 0.00 0.00 173.10 175.11 1fdu s LEU 93 N -2.47 2.23 0.45 0.66 1.43 -1.26 -4.99 118.68 114.74 1fdu s LEU 93 Ca 0.08 -0.74 0.07 0.00 -1.03 0.00 0.00 54.13 52.50 1fdu s LEU 93 Cb -0.01 0.28 -0.02 0.00 0.03 0.00 0.00 46.19 46.48 1fdu s LEU 93 CO -0.06 -0.50 0.30 -0.83 0.23 0.00 0.00 176.35 175.49 1fdu s GLY 94 N -2.32 2.31 -0.29 -3.19 0.00 -1.26 -4.94 107.32 97.62 1fdu s GLY 94 Ca -0.02 -1.76 -0.15 0.00 0.00 0.00 0.00 44.72 42.79 1fdu s GLY 94 CO -0.06 -1.86 0.78 -2.27 0.00 0.00 0.00 173.10 169.69 1fdu s LEU 95 N -4.08 -0.84 -0.03 0.66 2.96 -1.26 -4.86 118.68 111.22 1fdu s LEU 95 Ca 0.40 1.29 0.02 0.00 -0.22 0.00 0.00 54.13 55.61 1fdu s LEU 95 Cb -0.00 2.14 0.01 0.00 0.50 0.00 0.00 46.19 48.85 1fdu s LEU 95 CO 0.23 -0.20 -0.06 -0.22 -1.32 0.00 0.00 176.35 174.79 1fdu s LEU 96 N 1.89 1.55 0.00 -0.68 2.96 -1.15 -4.35 118.68 118.90 1fdu s LEU 96 Ca -0.08 -0.14 0.00 0.00 -0.22 0.00 0.00 54.13 53.69 1fdu s LEU 96 Cb -0.06 -0.45 0.00 0.00 0.50 0.00 0.00 46.19 46.18 1fdu s LEU 96 CO -0.18 -0.01 0.00 0.61 -1.32 0.00 0.00 176.35 175.45 1fdu n GLY 97 N 3.69 3.15 3.69 7.98 0.00 -0.37 -4.83 105.19 118.50 1fdu n GLY 97 Ca -0.22 -1.29 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 1fdu n GLY 97 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1fdu n PRO 98 N -1.47 2.15 -0.09 1.61 -0.02 -1.26 -4.59 135.00 131.32 1fdu n PRO 98 Ca 0.00 0.76 -0.07 0.00 -2.02 0.00 0.00 63.50 62.17 1fdu n PRO 98 Cb 0.00 -2.39 -0.00 0.00 -0.02 0.00 0.00 33.50 31.08 1fdu n PRO 98 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1fdu h LEU 99 N 3.45 -0.80 -2.46 2.45 5.85 -1.97 -0.73 115.31 121.10 1fdu h LEU 99 Ca -0.46 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.42 1fdu h LEU 99 Cb 1.27 0.40 0.00 0.00 0.37 0.00 0.00 40.66 42.70 1fdu h LEU 99 CO 0.70 -0.27 0.14 1.05 -0.34 0.00 0.00 178.44 179.72 1fdu h GLU 100 N -0.20 0.00 0.00 1.25 9.09 -1.89 -1.60 114.58 121.23 1fdu h GLU 100 Ca 0.17 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.58 1fdu h GLU 100 Cb 0.47 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.57 1fdu h GLU 100 CO -0.46 0.00 -0.71 0.00 0.05 0.00 0.00 179.01 177.89 1fdu n ALA 101 N -1.97 3.29 -1.92 1.06 0.00 -0.29 -4.98 120.51 115.71 1fdu n ALA 101 Ca -0.02 -0.33 -0.41 0.00 0.00 0.00 0.00 53.44 52.68 1fdu n ALA 101 Cb 0.20 -1.09 -0.04 0.00 0.00 0.00 0.00 19.45 18.52 1fdu n ALA 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1fdu s LEU 102 N -3.74 4.50 0.17 0.00 1.43 -0.60 -4.97 118.68 115.47 1fdu s LEU 102 Ca 0.07 2.23 -0.27 0.00 -1.03 0.00 0.00 54.13 55.13 1fdu s LEU 102 Cb 0.15 -3.62 -0.08 0.00 0.03 0.00 0.00 46.19 42.68 1fdu s LEU 102 CO 0.74 -0.24 0.85 -0.83 0.23 0.00 0.00 176.35 177.10 1fdu s GLY 103 N -0.39 2.98 0.32 -3.19 0.00 -1.26 -4.90 107.32 100.88 1fdu s GLY 103 Ca 0.48 0.46 0.11 0.00 0.00 0.00 0.00 44.72 45.77 1fdu s GLY 103 CO 0.39 1.08 1.70 -2.09 0.00 0.00 0.00 173.10 174.18 1fdu h GLU 104 N 4.60 0.47 0.00 2.90 4.81 -1.99 0.79 114.58 126.16 1fdu h GLU 104 Ca -0.45 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1fdu h GLU 104 Cb 1.20 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.48 1fdu h GLU 104 CO 0.68 0.31 -0.01 -0.44 -0.73 0.00 0.00 179.01 178.82 1fdu h ASP 105 N 0.48 0.00 0.09 1.04 5.19 -1.98 -0.95 116.42 120.29 1fdu h ASP 105 Ca 0.67 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 57.07 1fdu h ASP 105 Cb 1.36 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.88 1fdu h ASP 105 CO -0.53 0.01 -0.05 0.00 -3.12 0.00 0.00 179.24 175.56 1fdu h ALA 106 N 1.99 -0.13 -1.00 3.45 0.00 0.15 -1.54 119.26 122.18 1fdu h ALA 106 Ca -0.00 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.70 1fdu h ALA 106 Cb 0.79 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 1fdu h ALA 106 CO 0.00 -0.28 0.65 0.28 0.00 0.00 0.00 179.25 179.91 1fdu h VAL 107 N -0.71 1.14 -0.30 0.00 2.07 -1.03 -2.09 116.25 115.34 1fdu h VAL 107 Ca -0.01 -0.42 -0.09 0.00 0.82 0.00 0.00 66.70 66.99 1fdu h VAL 107 Cb 0.55 -0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1fdu h VAL 107 CO 0.02 0.23 -0.17 0.00 0.02 0.00 0.00 177.57 177.67 1fdu h ALA 108 N 1.43 0.42 -0.46 1.67 0.00 -1.17 -3.00 119.26 118.15 1fdu h ALA 108 Ca 0.41 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1fdu h ALA 108 Cb 0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1fdu h ALA 108 CO -0.14 0.33 0.28 0.77 0.00 0.00 0.00 179.25 180.50 1fdu h SER 109 N 0.39 0.55 -0.47 0.00 0.02 -0.85 -2.01 113.55 111.18 1fdu h SER 109 Ca 0.06 -0.05 0.09 0.00 -0.84 0.00 0.00 61.79 61.06 1fdu h SER 109 Cb 0.70 -0.14 -0.09 0.00 0.14 0.00 0.00 62.40 63.01 1fdu h SER 109 CO 0.05 0.43 -0.13 0.58 -1.14 0.00 0.00 176.83 176.63 1fdu h VAL 110 N 0.62 0.51 -0.30 2.27 2.07 -1.44 0.16 116.25 120.14 1fdu h VAL 110 Ca 0.17 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.59 1fdu h VAL 110 Cb -0.02 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1fdu h VAL 110 CO -0.03 0.00 -0.24 -0.07 0.02 0.00 0.00 177.57 177.25 1fdu h LEU 111 N -0.01 0.58 -0.05 2.57 3.38 -1.32 -1.99 115.31 118.46 1fdu h LEU 111 Ca 0.23 -0.20 -0.21 0.00 0.09 0.00 0.00 57.88 57.78 1fdu h LEU 111 Cb 0.36 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.96 1fdu h LEU 111 CO -0.49 0.81 -0.80 -0.78 0.09 0.00 0.00 178.44 177.27 1fdu h ASP 112 N 0.50 0.78 0.27 -0.43 3.58 -0.88 0.17 116.42 120.41 1fdu h ASP 112 Ca 0.07 -0.71 -0.01 0.00 0.42 0.00 0.00 57.03 56.80 1fdu h ASP 112 Cb 0.69 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.50 1fdu h ASP 112 CO 0.05 1.38 -0.13 0.58 -2.88 0.00 0.00 179.24 178.24 1fdu h VAL 113 N 0.26 0.00 0.23 2.25 2.07 -0.73 0.79 116.25 121.11 1fdu h VAL 113 Ca -0.09 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1fdu h VAL 113 Cb 1.46 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1fdu h VAL 113 CO 0.16 0.00 -0.12 0.78 0.02 0.00 0.00 177.57 178.41 1fdu h ASN 114 N -0.55 -0.30 0.00 0.57 2.35 -1.51 -2.91 115.58 113.24 1fdu h ASN 114 Ca -0.04 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1fdu h ASN 114 Cb 0.28 0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1fdu h ASN 114 CO 0.06 -0.20 0.00 0.52 -1.65 0.00 0.00 177.43 176.16 1fdu n VAL 115 N -2.93 0.00 -0.33 2.81 0.31 0.11 -3.57 118.33 114.72 1fdu n VAL 115 Ca -0.04 0.45 0.17 0.00 -0.01 0.00 0.00 64.34 64.91 1fdu n VAL 115 Cb 0.13 -1.12 0.40 0.00 -0.91 0.00 0.00 33.84 32.34 1fdu n VAL 115 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1fdu h VAL 116 N 0.00 0.62 -0.72 2.52 2.07 -0.81 -0.72 116.25 119.21 1fdu h VAL 116 Ca 0.00 -0.20 0.15 0.00 0.82 0.00 0.00 66.70 67.46 1fdu h VAL 116 Cb 0.00 -0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 29.70 1fdu h VAL 116 CO 0.00 0.11 0.48 1.23 0.02 0.00 0.00 177.57 179.41 1fdu h GLY 117 N 0.59 0.61 1.44 2.17 0.00 0.82 0.50 103.07 109.20 1fdu h GLY 117 Ca 0.59 -0.16 -0.27 0.00 0.00 0.00 0.00 47.33 47.49 1fdu h GLY 117 CO -0.36 0.06 -1.39 -0.84 0.00 0.00 0.00 176.54 174.01 1fdu h THR 118 N 0.37 1.29 -0.58 4.70 2.02 -1.21 -3.03 112.91 116.46 1fdu h THR 118 Ca 0.35 -2.98 -0.05 0.00 0.77 0.00 0.00 66.41 64.50 1fdu h THR 118 Cb 0.85 2.74 -0.03 0.00 -1.74 0.00 0.00 68.15 69.97 1fdu h THR 118 CO -0.10 0.81 0.15 0.58 0.37 0.00 0.00 175.52 177.33 1fdu h VAL 119 N 0.04 1.23 -0.10 3.16 2.07 -0.10 -1.48 116.25 121.07 1fdu h VAL 119 Ca -0.18 -0.82 -0.13 0.00 0.82 0.00 0.00 66.70 66.39 1fdu h VAL 119 Cb 1.94 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.32 1fdu h VAL 119 CO 0.14 0.31 -0.51 0.03 0.02 0.00 0.00 177.57 177.56 1fdu h ARG 120 N 0.86 0.26 0.45 1.57 3.08 -0.15 -2.41 114.38 118.03 1fdu h ARG 120 Ca 0.19 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 1fdu h ARG 120 Cb 0.29 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1fdu h ARG 120 CO -0.00 0.72 -0.21 0.52 -1.07 0.00 0.00 179.97 179.92 1fdu h MET 121 N 0.21 -0.58 0.42 0.04 2.86 -1.40 -3.00 114.93 113.48 1fdu h MET 121 Ca 0.01 0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1fdu h MET 121 Cb 0.97 0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.75 1fdu h MET 121 CO 0.08 -0.31 -0.38 -0.07 1.06 0.00 0.00 176.91 177.29 1fdu h LEU 122 N -1.09 -1.01 -0.99 1.22 3.38 -1.35 0.22 115.31 115.69 1fdu h LEU 122 Ca -0.06 0.08 0.36 0.00 0.09 0.00 0.00 57.88 58.35 1fdu h LEU 122 Cb 0.53 0.33 -0.17 0.00 0.09 0.00 0.00 40.66 41.44 1fdu h LEU 122 CO 0.10 -0.53 0.41 1.56 0.09 0.00 0.00 178.44 180.07 1fdu h GLN 123 N -0.80 0.07 0.14 1.13 4.20 -1.54 0.19 115.11 118.50 1fdu h GLN 123 Ca -0.04 -0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.48 1fdu h GLN 123 Cb 0.71 -0.01 0.02 0.00 0.30 0.00 0.00 27.48 28.49 1fdu h GLN 123 CO -0.04 0.04 -0.84 0.00 -0.67 0.00 0.00 178.83 177.32 1fdu h ALA 124 N 1.96 -0.09 0.10 3.87 0.00 -1.28 -3.42 119.26 120.40 1fdu h ALA 124 Ca 0.75 -0.70 -0.35 0.00 0.00 0.00 0.00 54.91 54.62 1fdu h ALA 124 Cb 1.85 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.72 1fdu h ALA 124 CO -0.77 0.39 -1.92 1.19 0.00 0.00 0.00 179.25 178.14 1fdu n PHE 125 N -4.11 1.22 -0.19 0.00 3.01 0.73 -4.58 117.46 113.53 1fdu n PHE 125 Ca -0.14 0.29 -0.01 0.00 1.01 0.00 0.00 57.45 58.60 1fdu n PHE 125 Cb 0.83 -1.17 0.06 0.00 -0.01 0.00 0.00 39.48 39.19 1fdu n PHE 125 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1fdu h LEU 126 N 0.06 -0.47 -0.12 4.37 3.38 -1.30 -3.20 115.31 118.03 1fdu h LEU 126 Ca -0.39 0.17 0.04 0.00 0.09 0.00 0.00 57.88 57.78 1fdu h LEU 126 Cb 2.03 0.33 -0.06 0.00 0.09 0.00 0.00 40.66 43.05 1fdu h LEU 126 CO 0.09 -0.17 -0.49 -0.65 0.09 0.00 0.00 178.44 177.31 1fdu h PRO 127 N 0.02 -0.54 -0.82 1.13 0.11 -1.80 0.40 132.00 130.51 1fdu h PRO 127 Ca 0.28 0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.44 1fdu h PRO 127 Cb 0.44 0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.62 1fdu h PRO 127 CO -0.57 -0.36 0.54 0.22 -0.21 0.00 0.00 178.00 177.62 1fdu h ASP 128 N -0.56 0.92 -0.46 -2.05 1.82 -1.84 0.10 116.42 114.35 1fdu h ASP 128 Ca 0.05 -0.02 0.08 0.00 -0.39 0.00 0.00 57.03 56.75 1fdu h ASP 128 Cb 0.67 -0.22 -0.06 0.00 0.68 0.00 0.00 39.33 40.39 1fdu h ASP 128 CO -0.41 0.66 0.09 0.24 -1.61 0.00 0.00 179.24 178.20 1fdu h MET 129 N 1.08 0.21 -0.44 0.28 2.86 -1.28 0.31 114.93 117.96 1fdu h MET 129 Ca 0.31 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.95 1fdu h MET 129 Cb -0.09 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.50 1fdu h MET 129 CO -0.08 0.14 0.27 0.87 1.06 0.00 0.00 176.91 179.18 1fdu h LYS 130 N 0.22 0.54 -0.20 1.72 1.57 0.99 0.55 116.57 121.96 1fdu h LYS 130 Ca 0.23 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 59.03 1fdu h LYS 130 Cb 0.30 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.43 1fdu h LYS 130 CO -0.31 0.36 -0.18 0.00 -0.57 0.00 0.00 179.45 178.75 1fdu h ARG 131 N 0.55 -0.18 0.00 3.15 -0.00 0.12 0.17 114.38 118.19 1fdu h ARG 131 Ca 0.17 0.01 -0.02 0.00 -0.50 0.00 0.00 59.98 59.64 1fdu h ARG 131 Cb -0.03 0.04 -0.00 0.00 0.00 0.00 0.00 29.97 29.98 1fdu h ARG 131 CO -0.06 -0.12 -0.09 0.00 0.00 0.00 0.00 179.97 179.70 1fdu h ARG 132 N -0.19 0.00 0.00 0.04 3.08 0.33 -3.45 114.38 114.18 1fdu h ARG 132 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1fdu h ARG 132 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1fdu h ARG 132 CO -0.32 0.09 0.00 0.41 -1.07 0.00 0.00 179.97 179.08 1fdu n GLY 133 N -1.08 0.74 3.23 0.04 0.00 0.18 -4.98 105.19 103.32 1fdu n GLY 133 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 1fdu n GLY 133 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fdu s SER 134 N -2.48 -0.36 0.00 1.61 1.04 -1.08 -4.25 113.70 108.19 1fdu s SER 134 Ca 0.00 0.69 0.00 0.00 0.48 0.00 0.00 55.95 57.12 1fdu s SER 134 Cb 0.00 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.81 1fdu s SER 134 CO 0.00 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.71 1fdu n GLY 135 N 2.99 2.72 2.81 7.32 0.00 -1.22 -4.67 105.19 115.13 1fdu n GLY 135 Ca -0.14 -0.77 -0.21 0.00 0.00 0.00 0.00 46.02 44.91 1fdu n GLY 135 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fdu s ARG 136 N -2.00 0.56 -0.21 1.61 0.52 -0.59 -1.14 118.95 117.70 1fdu s ARG 136 Ca 0.00 0.06 -0.03 0.00 -0.52 0.00 0.00 55.73 55.24 1fdu s ARG 136 Cb 0.00 -0.80 -0.00 0.00 0.52 0.00 0.00 34.95 34.66 1fdu s ARG 136 CO 0.00 -0.21 -0.08 0.08 0.02 0.00 0.00 175.30 175.11 1fdu s VAL 137 N 1.50 3.12 -0.06 3.52 1.01 0.36 0.09 120.40 129.94 1fdu s VAL 137 Ca -0.02 -0.58 0.06 0.00 0.00 0.00 0.00 61.98 61.43 1fdu s VAL 137 Cb -0.13 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 1fdu s VAL 137 CO -0.03 0.45 -0.25 -0.76 0.00 0.00 0.00 175.10 174.51 1fdu s LEU 138 N 1.40 2.06 -0.12 3.92 1.43 0.12 -1.42 118.68 126.07 1fdu s LEU 138 Ca 0.05 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 52.66 1fdu s LEU 138 Cb -0.14 -1.36 0.01 0.00 0.03 0.00 0.00 46.19 44.74 1fdu s LEU 138 CO -0.05 0.24 -0.17 -0.69 0.23 0.00 0.00 176.35 175.91 1fdu s VAL 139 N -0.13 1.63 -0.21 -1.59 1.01 -0.52 -0.75 120.40 119.84 1fdu s VAL 139 Ca -0.04 -0.72 -0.28 0.00 0.00 0.00 0.00 61.98 60.94 1fdu s VAL 139 Cb -0.14 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.71 1fdu s VAL 139 CO 0.04 0.47 2.22 0.41 0.00 0.00 0.00 175.10 178.23 1fdu n THR 140 N 4.24 0.36 -0.39 3.92 -1.04 -0.80 -1.31 114.28 119.25 1fdu n THR 140 Ca -0.19 -0.45 -0.02 0.00 -2.04 0.00 0.00 64.05 61.35 1fdu n THR 140 Cb 0.51 -2.55 0.01 0.00 -1.82 0.00 0.00 70.33 66.48 1fdu n THR 140 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1fdu n GLY 141 N 5.74 -2.81 3.64 3.41 0.00 0.31 -4.80 105.19 110.69 1fdu n GLY 141 Ca 0.30 -1.39 -0.06 0.00 0.00 0.00 0.00 46.02 44.87 1fdu n GLY 141 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1fdu s SER 142 N -1.77 -0.25 0.42 1.61 0.15 -1.26 -4.07 113.70 108.53 1fdu s SER 142 Ca 0.04 0.47 0.22 0.00 0.70 0.00 0.00 55.95 57.38 1fdu s SER 142 Cb -0.00 0.47 0.34 0.00 -1.71 0.00 0.00 66.02 65.12 1fdu s SER 142 CO 0.03 -0.09 1.60 0.58 1.20 0.00 0.00 173.24 176.56 1fdu h VAL 143 N 3.28 0.15 0.00 4.45 2.07 -1.88 -2.75 116.25 121.56 1fdu h VAL 143 Ca -0.27 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.07 1fdu h VAL 143 Cb 1.19 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 33.00 1fdu h VAL 143 CO 0.15 0.08 0.00 0.61 0.02 0.00 0.00 177.57 178.43 1fdu n GLY 144 N 1.07 -0.93 0.02 2.17 0.00 -1.26 -1.26 105.19 105.00 1fdu n GLY 144 Ca 0.04 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.06 1fdu n GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fdu n GLY 145 N 0.46 -1.15 0.01 -0.02 0.00 -1.04 -4.34 105.19 99.11 1fdu n GLY 145 Ca 0.11 -0.45 0.04 0.00 0.00 0.00 0.00 46.02 45.72 1fdu n GLY 145 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fdu n LEU 146 N -1.77 0.00 -3.67 0.99 4.77 -0.39 -4.27 117.00 112.67 1fdu n LEU 146 Ca 0.03 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.87 1fdu n LEU 146 Cb 0.40 0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.45 1fdu n LEU 146 CO 0.40 0.04 0.16 0.00 -1.33 0.00 0.00 177.39 176.66 1fdu s MET 147 N -2.67 0.84 0.08 3.23 0.23 -0.91 -5.09 119.30 115.01 1fdu s MET 147 Ca -0.04 -0.15 -0.30 0.00 -1.03 0.00 0.00 55.69 54.17 1fdu s MET 147 Cb 0.06 0.38 -0.05 0.00 -1.53 0.00 0.00 34.83 33.69 1fdu s MET 147 CO 0.44 -0.26 1.01 0.20 -2.03 0.00 0.00 175.02 174.38 1fdu s GLY 148 N -1.52 2.89 -0.15 3.16 0.00 -1.26 -4.37 107.32 106.06 1fdu s GLY 148 Ca -0.10 0.62 0.01 0.00 0.00 0.00 0.00 44.72 45.25 1fdu s GLY 148 CO 0.03 1.63 -0.17 1.08 0.00 0.00 0.00 173.10 175.67 1fdu s LEU 149 N 0.41 2.40 0.83 0.66 1.43 -1.26 -5.08 118.68 118.06 1fdu s LEU 149 Ca 0.50 -0.50 -0.15 0.00 -1.03 0.00 0.00 54.13 52.95 1fdu s LEU 149 Cb -0.24 -1.54 -0.05 0.00 0.03 0.00 0.00 46.19 44.39 1fdu s LEU 149 CO 0.30 0.09 0.16 -0.81 0.23 0.00 0.00 176.35 176.31 1fdu n PRO 150 N 4.05 0.03 -1.93 1.29 -0.04 -1.26 -1.62 135.00 135.53 1fdu n PRO 150 Ca -0.19 0.04 -0.06 0.00 -0.04 0.00 0.00 63.50 63.25 1fdu n PRO 150 Cb 0.52 -1.59 -0.01 0.00 -0.04 0.00 0.00 33.50 32.37 1fdu n PRO 150 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1fdu n PHE 151 N -2.69 -1.28 -1.52 0.54 3.72 -1.26 -4.57 117.46 110.40 1fdu n PHE 151 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 1fdu n PHE 151 Cb 0.52 -1.84 0.00 0.00 -0.94 0.00 0.00 39.48 37.22 1fdu n PHE 151 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1fdu n ASN 152 N -0.84 0.00 -0.24 4.37 4.13 -0.64 -1.24 115.26 120.80 1fdu n ASN 152 Ca -0.07 -1.48 0.02 0.00 1.68 0.00 0.00 54.58 54.73 1fdu n ASN 152 Cb 0.41 -0.10 0.06 0.00 -1.54 0.00 0.00 39.78 38.61 1fdu n ASN 152 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1fdu n ASP 153 N 0.00 -0.32 0.10 6.41 8.00 -1.25 0.15 116.55 129.64 1fdu n ASP 153 Ca 0.00 1.11 -0.16 0.00 0.71 0.00 0.00 54.79 56.45 1fdu n ASP 153 Cb 0.60 -0.29 -0.13 0.00 -0.02 0.00 0.00 41.12 41.27 1fdu n ASP 153 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1fdu h VAL 154 N 0.00 1.48 -0.03 2.53 2.07 -1.93 -1.08 116.25 119.28 1fdu h VAL 154 Ca 0.26 -2.98 0.02 0.00 0.82 0.00 0.00 66.70 64.82 1fdu h VAL 154 Cb 0.42 2.89 -0.03 0.00 -1.52 0.00 0.00 31.29 33.06 1fdu h VAL 154 CO -0.65 0.87 -0.10 0.22 0.02 0.00 0.00 177.57 177.94 1fdu h TYR 155 N 0.09 -0.25 -0.82 1.57 3.20 -1.17 0.18 116.97 119.77 1fdu h TYR 155 Ca -0.13 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.79 1fdu h TYR 155 Cb 1.94 0.12 -0.05 0.00 1.54 0.00 0.00 36.73 40.27 1fdu h TYR 155 CO 0.07 -0.15 0.52 0.00 -1.64 0.00 0.00 178.16 176.95 1fdu h ALA 157 N 1.36 0.52 -0.61 0.00 0.00 0.14 0.51 119.26 121.17 1fdu h ALA 157 Ca 0.34 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 1fdu h ALA 157 Cb 0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1fdu h ALA 157 CO -0.13 -0.11 0.14 0.66 0.00 0.00 0.00 179.25 179.81 1fdu h SER 158 N 0.47 0.91 -0.24 0.00 4.64 0.77 -1.19 113.55 118.90 1fdu h SER 158 Ca 0.17 -0.18 -0.12 0.00 -0.47 0.00 0.00 61.79 61.19 1fdu h SER 158 Cb 0.04 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 1fdu h SER 158 CO -0.09 0.88 -0.25 0.11 -0.87 0.00 0.00 176.83 176.61 1fdu h LYS 159 N 0.92 0.72 0.00 4.77 1.79 -0.25 -2.04 116.57 122.49 1fdu h LYS 159 Ca 0.20 -0.30 -0.05 0.00 -2.18 0.00 0.00 60.65 58.32 1fdu h LYS 159 Cb 0.34 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.95 1fdu h LYS 159 CO 0.00 0.90 -0.22 0.74 -1.08 0.00 0.00 179.45 179.79 1fdu h PHE 160 N 0.63 0.00 -0.13 -1.35 -1.00 0.42 -2.80 116.94 112.70 1fdu h PHE 160 Ca 0.08 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.81 1fdu h PHE 160 Cb 0.75 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.30 1fdu h PHE 160 CO 0.04 0.22 -0.16 0.00 -1.61 0.00 0.00 178.31 176.80 1fdu h ALA 161 N 1.78 1.49 -0.10 2.45 0.00 -0.49 -2.62 119.26 121.77 1fdu h ALA 161 Ca -0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 1fdu h ALA 161 Cb 0.74 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1fdu h ALA 161 CO 0.03 0.37 -0.45 -0.07 0.00 0.00 0.00 179.25 179.13 1fdu h LEU 162 N 0.20 0.24 -0.25 0.00 3.38 -1.25 -1.78 115.31 115.85 1fdu h LEU 162 Ca 0.04 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1fdu h LEU 162 Cb 0.41 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1fdu h LEU 162 CO 0.03 0.66 0.07 -0.33 0.09 0.00 0.00 178.44 178.96 1fdu h GLU 163 N 0.19 0.39 -0.69 1.13 4.39 -1.45 -0.90 114.58 117.63 1fdu h GLU 163 Ca 0.01 -0.09 -0.06 0.00 0.34 0.00 0.00 59.36 59.57 1fdu h GLU 163 Cb 0.87 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.43 1fdu h GLU 163 CO 0.07 0.47 0.18 0.78 -1.16 0.00 0.00 179.01 179.35 1fdu h GLY 164 N 0.23 1.17 0.63 -3.84 0.00 -1.42 0.20 103.07 100.03 1fdu h GLY 164 Ca 0.08 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 46.69 1fdu h GLY 164 CO -0.00 0.66 -0.01 -2.00 0.00 0.00 0.00 176.54 175.19 1fdu h LEU 165 N 1.04 0.07 -0.64 3.11 5.85 -1.28 -0.00 115.31 123.44 1fdu h LEU 165 Ca 0.22 -0.40 -0.15 0.00 0.84 0.00 0.00 57.88 58.39 1fdu h LEU 165 Cb 0.34 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1fdu h LEU 165 CO -0.00 0.45 -0.59 0.00 -0.34 0.00 0.00 178.44 177.96 1fdu h GLU 167 N 0.21 0.69 -0.20 0.00 4.81 -0.61 -1.38 114.58 118.09 1fdu h GLU 167 Ca -0.00 -0.73 -0.01 0.00 -0.13 0.00 0.00 59.36 58.49 1fdu h GLU 167 Cb 1.10 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.67 1fdu h GLU 167 CO 0.09 1.31 0.11 0.77 -0.73 0.00 0.00 179.01 180.56 1fdu h SER 168 N 0.36 0.26 0.33 1.04 0.02 -0.94 -2.33 113.55 112.29 1fdu h SER 168 Ca -0.12 -0.10 -0.07 0.00 -0.84 0.00 0.00 61.79 60.66 1fdu h SER 168 Cb 1.64 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 64.11 1fdu h SER 168 CO 0.19 0.28 -0.34 0.25 -1.14 0.00 0.00 176.83 176.08 1fdu h LEU 169 N 0.22 0.02 -0.91 5.07 6.46 -1.05 -3.08 115.31 122.04 1fdu h LEU 169 Ca 0.07 -0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.73 1fdu h LEU 169 Cb 0.08 -0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 39.99 1fdu h LEU 169 CO -0.01 0.36 -0.19 0.00 -0.62 0.00 0.00 178.44 177.98 1fdu h ALA 170 N 1.65 1.08 -0.81 1.25 0.00 -0.83 0.10 119.26 121.70 1fdu h ALA 170 Ca -0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1fdu h ALA 170 Cb 0.61 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1fdu h ALA 170 CO 0.04 0.56 0.39 0.28 0.00 0.00 0.00 179.25 180.53 1fdu h VAL 171 N 0.53 1.25 0.22 0.00 2.07 -1.34 -1.47 116.25 117.51 1fdu h VAL 171 Ca 0.08 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 1fdu h VAL 171 Cb 0.62 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1fdu h VAL 171 CO 0.04 0.30 -0.11 0.25 0.02 0.00 0.00 177.57 178.08 1fdu h LEU 172 N 1.14 -0.25 -2.21 2.57 5.85 -1.47 -3.30 115.31 117.63 1fdu h LEU 172 Ca 0.28 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1fdu h LEU 172 Cb 0.12 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 1fdu h LEU 172 CO -0.03 0.26 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.21 1fdu h LEU 173 N -0.95 0.00 0.00 2.25 3.38 -0.80 -3.36 115.31 115.83 1fdu h LEU 173 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1fdu h LEU 173 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1fdu h LEU 173 CO 0.05 0.05 0.00 -0.11 0.09 0.00 0.00 178.44 178.52 1fdu n LEU 174 N -3.84 0.00 -0.49 1.67 7.94 -0.56 0.15 117.00 121.88 1fdu n LEU 174 Ca -0.03 0.18 0.00 0.00 -1.11 0.00 0.00 56.01 55.05 1fdu n LEU 174 Cb 0.14 -0.08 0.00 0.00 0.53 0.00 0.00 43.42 44.02 1fdu n LEU 174 CO 0.29 -0.08 0.14 -0.81 -1.11 0.00 0.00 177.39 175.83 1fdu n PRO 175 N -1.80 0.56 0.00 1.96 -0.04 -1.26 -3.70 135.00 130.72 1fdu n PRO 175 Ca 0.00 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.54 1fdu n PRO 175 Cb 0.00 -1.28 -0.10 0.00 -0.04 0.00 0.00 33.50 32.09 1fdu n PRO 175 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1fdu n PHE 176 N 0.21 0.00 -0.73 0.54 3.01 0.41 -4.95 117.46 115.95 1fdu n PHE 176 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1fdu n PHE 176 Cb 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.61 1fdu n PHE 176 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1fdu n GLY 177 N 1.40 0.55 3.15 1.37 0.00 -1.24 -4.42 105.19 105.99 1fdu n GLY 177 Ca 0.03 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 1fdu n GLY 177 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fdu s VAL 178 N -2.00 2.09 -0.26 1.61 1.01 -1.26 -3.43 120.40 118.16 1fdu s VAL 178 Ca 0.00 -0.95 -0.06 0.00 0.00 0.00 0.00 61.98 60.97 1fdu s VAL 178 Cb 0.00 -1.85 -0.01 0.00 0.00 0.00 0.00 36.38 34.51 1fdu s VAL 178 CO 0.00 0.54 0.05 -1.00 0.00 0.00 0.00 175.10 174.69 1fdu s HIS 179 N 1.06 3.08 -0.11 5.22 3.76 -0.29 -4.54 115.29 123.46 1fdu s HIS 179 Ca -0.01 -0.74 0.03 0.00 -0.15 0.00 0.00 55.06 54.20 1fdu s HIS 179 Cb -0.14 -2.21 0.01 0.00 1.11 0.00 0.00 32.58 31.34 1fdu s HIS 179 CO -0.07 -0.48 -0.22 -1.17 -0.85 0.00 0.00 174.74 171.95 1fdu s LEU 180 N 1.54 2.04 0.01 0.89 0.20 -1.25 0.13 118.68 122.24 1fdu s LEU 180 Ca 0.05 -0.55 -0.01 0.00 0.69 0.00 0.00 54.13 54.31 1fdu s LEU 180 Cb -0.16 -1.36 -0.01 0.00 -0.43 0.00 0.00 46.19 44.23 1fdu s LEU 180 CO 0.02 0.11 -0.00 -0.44 -0.29 0.00 0.00 176.35 175.75 1fdu s SER 181 N 0.59 0.10 -0.20 3.68 0.01 -0.51 -4.46 113.70 112.91 1fdu s SER 181 Ca -0.13 -0.22 -0.08 0.00 1.31 0.00 0.00 55.95 56.83 1fdu s SER 181 Cb -0.17 0.07 -0.04 0.00 0.21 0.00 0.00 66.02 66.09 1fdu s SER 181 CO 0.04 -0.15 0.08 -0.76 0.41 0.00 0.00 173.24 172.86 1fdu s LEU 182 N -0.71 3.82 -0.78 2.44 1.43 0.35 -1.44 118.68 123.80 1fdu s LEU 182 Ca -0.08 0.05 -0.18 0.00 -1.03 0.00 0.00 54.13 52.90 1fdu s LEU 182 Cb -0.05 -1.98 0.14 0.00 0.03 0.00 0.00 46.19 44.33 1fdu s LEU 182 CO -0.00 0.13 0.88 -0.63 0.23 0.00 0.00 176.35 176.96 1fdu s ILE 183 N 0.65 4.99 -0.24 -0.59 -1.09 -0.43 -1.28 121.20 123.21 1fdu s ILE 183 Ca 0.04 -1.59 -0.29 0.00 -2.23 0.00 0.00 60.65 56.58 1fdu s ILE 183 Cb -0.13 -4.59 -0.02 0.00 -1.58 0.00 0.00 42.46 36.14 1fdu s ILE 183 CO 0.01 -1.25 1.47 -1.61 -1.23 0.00 0.00 174.94 172.34 1fdu s GLU 184 N 2.04 3.89 -0.17 2.79 0.41 0.40 0.11 118.70 128.17 1fdu s GLU 184 Ca 0.21 1.53 -0.06 0.00 -0.41 0.00 0.00 54.97 56.24 1fdu s GLU 184 Cb -0.13 -3.96 -0.04 0.00 -1.78 0.00 0.00 34.13 28.22 1fdu s GLU 184 CO -0.03 -1.17 0.04 0.00 -0.49 0.00 0.00 175.26 173.61 1fdu n GLY 186 N 3.35 -0.05 3.54 0.00 0.00 -1.26 -2.85 105.19 107.92 1fdu n GLY 186 Ca -0.17 -1.78 -0.44 0.00 0.00 0.00 0.00 46.02 43.63 1fdu n GLY 186 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1fdu n PRO 187 N -0.49 1.01 -3.88 1.61 -0.02 -1.26 -4.85 135.00 127.11 1fdu n PRO 187 Ca 0.00 0.36 -0.11 0.00 -2.02 0.00 0.00 63.50 61.72 1fdu n PRO 187 Cb 0.00 -1.70 -0.12 0.00 -0.02 0.00 0.00 33.50 31.65 1fdu n PRO 187 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1fdu s VAL 188 N -1.19 0.03 -1.08 -1.45 1.01 -1.26 -1.30 120.40 115.17 1fdu s VAL 188 Ca 0.61 -0.29 -0.22 0.00 0.00 0.00 0.00 61.98 62.08 1fdu s VAL 188 Cb -0.68 -0.18 0.05 0.00 0.00 0.00 0.00 36.38 35.58 1fdu s VAL 188 CO 0.58 -0.16 1.52 -1.00 0.00 0.00 0.00 175.10 176.05 1fdu s HIS 189 N -0.48 2.57 0.00 5.22 3.76 -0.78 -4.86 115.29 120.72 1fdu s HIS 189 Ca -0.05 -0.97 0.00 0.00 -0.15 0.00 0.00 55.06 53.89 1fdu s HIS 189 Cb -0.03 -4.70 0.00 0.00 1.11 0.00 0.00 32.58 28.96 1fdu s HIS 189 CO 0.00 -1.90 0.00 0.25 -0.85 0.00 0.00 174.74 172.24 1fdu n THR 190 N 6.81 0.00 0.46 1.30 -2.24 -1.26 -4.38 114.28 114.96 1fdu n THR 190 Ca 0.37 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.26 1fdu n THR 190 Cb 0.50 0.00 0.12 0.00 -2.10 0.00 0.00 70.33 68.85 1fdu n THR 190 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fdu h ALA 191 N 1.00 0.55 -0.39 6.98 0.00 -1.94 -3.41 119.26 122.04 1fdu h ALA 191 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1fdu h ALA 191 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1fdu h ALA 191 CO 0.00 0.00 -0.22 0.34 0.00 0.00 0.00 179.25 179.37 1fdu n PHE 192 N -2.25 -0.15 0.08 0.00 7.35 -1.26 -1.00 117.46 120.23 1fdu n PHE 192 Ca 0.02 0.49 -0.12 0.00 -0.76 0.00 0.00 57.45 57.08 1fdu n PHE 192 Cb 0.47 -0.54 -0.04 0.00 0.35 0.00 0.00 39.48 39.71 1fdu n PHE 192 CO 0.00 0.00 0.00 0.52 -0.76 0.00 0.00 176.76 176.52 1fdu h MET 193 N 0.00 0.31 -0.89 -4.13 2.86 -1.91 -3.05 114.93 108.11 1fdu h MET 193 Ca 0.07 -0.36 0.23 0.00 -2.06 0.00 0.00 59.70 57.58 1fdu h MET 193 Cb 0.17 0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.88 1fdu h MET 193 CO -0.37 1.06 0.61 0.93 1.06 0.00 0.00 176.91 180.20 1fdu h GLU 194 N 0.16 0.21 -0.00 1.72 5.08 -1.35 0.10 114.58 120.51 1fdu h GLU 194 Ca -0.07 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1fdu h GLU 194 Cb 1.60 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.81 1fdu h GLU 194 CO 0.16 0.14 -0.49 1.63 -1.00 0.00 0.00 179.01 179.45 1fdu n LYS 195 N -4.41 0.31 0.01 2.33 5.02 -1.19 -4.48 118.16 115.75 1fdu n LYS 195 Ca 0.19 -0.20 -0.01 0.00 -2.02 0.00 0.00 58.31 56.27 1fdu n LYS 195 Cb 0.81 -1.50 0.27 0.00 -0.02 0.00 0.00 35.03 34.60 1fdu n LYS 195 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 1fdu h VAL 196 N 0.48 1.22 0.00 -0.18 3.04 -0.68 -3.47 116.25 116.66 1fdu h VAL 196 Ca 0.00 -0.95 0.00 0.00 -1.01 0.00 0.00 66.70 64.74 1fdu h VAL 196 Cb 0.52 1.09 0.00 0.00 -2.01 0.00 0.00 31.29 30.89 1fdu h VAL 196 CO 0.00 0.31 0.00 -0.11 -1.01 0.00 0.00 177.57 176.76 1fdu n LEU 197 N -4.23 0.00 -2.65 3.16 7.94 -1.26 -2.94 117.00 117.02 1fdu n LEU 197 Ca 0.01 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.87 1fdu n LEU 197 Cb 0.30 0.00 0.09 0.00 0.53 0.00 0.00 43.42 44.34 1fdu n LEU 197 CO 0.40 0.00 0.69 0.61 -1.11 0.00 0.00 177.39 177.98 1fdu n GLY 198 N -0.16 -1.90 0.00 -3.96 0.00 -1.26 -5.00 105.19 92.91 1fdu n GLY 198 Ca 0.00 1.06 0.00 0.00 0.00 0.00 0.00 46.02 47.08 1fdu n GLY 198 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1fdu n VAL 203 N 1.19 0.00 -0.15 1.61 0.31 -1.26 -5.19 118.33 114.84 1fdu n VAL 203 Ca -0.02 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.28 1fdu n VAL 203 Cb 0.73 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.69 1fdu n VAL 203 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1fdu h LEU 204 N 0.00 -0.42 -0.22 7.52 6.46 -1.95 -1.90 115.31 124.81 1fdu h LEU 204 Ca 0.00 0.14 -0.02 0.00 -0.12 0.00 0.00 57.88 57.88 1fdu h LEU 204 Cb 0.00 0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.21 1fdu h LEU 204 CO 0.00 -0.15 0.07 0.44 -0.62 0.00 0.00 178.44 178.18 1fdu h ASP 205 N 0.01 0.32 -0.06 1.25 3.32 -2.04 -3.20 116.42 116.01 1fdu h ASP 205 Ca 0.23 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1fdu h ASP 205 Cb 0.35 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1fdu h ASP 205 CO -0.48 0.44 0.00 0.54 -1.72 0.00 0.00 179.24 178.02 1fdu n ARG 206 N -4.78 1.25 -3.55 3.56 1.74 -0.78 -4.89 116.66 109.21 1fdu n ARG 206 Ca -0.04 -0.27 -0.09 0.00 -0.77 0.00 0.00 57.85 56.69 1fdu n ARG 206 Cb 0.15 -1.27 -0.02 0.00 -1.02 0.00 0.00 32.46 30.30 1fdu n ARG 206 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1fdu s THR 207 N -1.60 0.00 0.94 0.55 -1.32 -0.82 -3.95 115.64 109.44 1fdu s THR 207 Ca 0.05 -0.21 -0.12 0.00 -1.21 0.00 0.00 61.69 60.20 1fdu s THR 207 Cb 0.03 -1.26 0.15 0.00 -1.51 0.00 0.00 72.50 69.91 1fdu s THR 207 CO 0.02 0.00 1.09 1.51 -2.21 0.00 0.00 174.62 175.04 1fdu s ASP 208 N -2.68 3.12 0.11 8.08 -4.77 -1.26 -4.74 116.67 114.53 1fdu s ASP 208 Ca 0.06 1.42 -0.13 0.00 -3.30 0.00 0.00 52.55 50.59 1fdu s ASP 208 Cb -0.02 -2.10 -0.07 0.00 -1.09 0.00 0.00 42.92 39.64 1fdu s ASP 208 CO -0.07 -2.85 1.43 0.40 0.70 0.00 0.00 175.17 174.78 1fdu h ILE 209 N -1.70 1.29 -0.61 2.11 2.04 -1.97 0.48 117.51 119.14 1fdu h ILE 209 Ca -0.51 -1.52 0.05 0.00 1.00 0.00 0.00 64.86 63.88 1fdu h ILE 209 Cb 1.30 1.54 -0.05 0.00 -0.74 0.00 0.00 36.82 38.87 1fdu h ILE 209 CO 0.55 0.49 0.35 0.45 0.00 0.00 0.00 178.15 179.99 1fdu h HIS 210 N 0.56 0.64 -0.14 1.37 3.86 -2.00 0.80 115.15 120.23 1fdu h HIS 210 Ca 0.05 0.02 -0.16 0.00 -1.16 0.00 0.00 60.37 59.12 1fdu h HIS 210 Cb 0.93 -0.20 0.01 0.00 1.06 0.00 0.00 27.41 29.20 1fdu h HIS 210 CO 0.07 0.33 -0.53 1.15 0.86 0.00 0.00 177.93 179.81 1fdu h THR 211 N 0.66 1.34 -0.47 2.45 2.02 -1.91 -3.11 112.91 113.89 1fdu h THR 211 Ca 0.27 -1.79 0.10 0.00 0.77 0.00 0.00 66.41 65.75 1fdu h THR 211 Cb 0.12 2.05 -0.09 0.00 -1.74 0.00 0.00 68.15 68.49 1fdu h THR 211 CO -0.15 0.55 -0.17 0.15 0.37 0.00 0.00 175.52 176.27 1fdu h PHE 212 N 0.26 -0.39 -0.11 3.16 3.57 -0.56 0.39 116.94 123.27 1fdu h PHE 212 Ca -0.02 0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.57 1fdu h PHE 212 Cb 1.15 0.24 -0.06 0.00 2.79 0.00 0.00 35.95 40.08 1fdu h PHE 212 CO 0.10 -0.25 -0.27 1.25 -2.23 0.00 0.00 178.31 176.90 1fdu h HIS 213 N -0.06 -0.74 -0.89 0.41 2.76 -0.84 -2.49 115.15 113.30 1fdu h HIS 213 Ca 0.23 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.47 1fdu h HIS 213 Cb 0.41 0.34 -0.05 0.00 1.55 0.00 0.00 27.41 29.66 1fdu h HIS 213 CO -0.44 -0.36 0.58 0.00 -1.30 0.00 0.00 177.93 176.41 1fdu h ARG 214 N -0.36 1.07 -0.05 5.26 2.47 -1.18 -0.64 114.38 120.96 1fdu h ARG 214 Ca 0.09 -0.06 0.03 0.00 -1.26 0.00 0.00 59.98 58.78 1fdu h ARG 214 Cb 0.50 -0.24 -0.06 0.00 -1.65 0.00 0.00 29.97 28.52 1fdu h ARG 214 CO -0.31 0.71 -0.44 0.35 0.56 0.00 0.00 179.97 180.84 1fdu h PHE 215 N 1.11 -1.25 -0.53 3.04 3.57 -0.54 0.46 116.94 122.80 1fdu h PHE 215 Ca 0.35 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.90 1fdu h PHE 215 Cb 0.03 0.56 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 1fdu h PHE 215 CO -0.00 -0.50 0.33 1.88 -2.23 0.00 0.00 178.31 177.78 1fdu h TYR 216 N -0.56 0.68 -1.01 0.41 0.05 -1.05 0.88 116.97 116.37 1fdu h TYR 216 Ca 0.05 0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.85 1fdu h TYR 216 Cb 0.66 -0.23 -0.05 0.00 1.01 0.00 0.00 36.73 38.12 1fdu h TYR 216 CO -0.46 0.45 0.67 0.37 -1.05 0.00 0.00 178.16 178.14 1fdu h GLN 217 N 0.72 1.32 -0.05 4.88 4.15 0.43 0.33 115.11 126.89 1fdu h GLN 217 Ca 0.19 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.52 1fdu h GLN 217 Cb -0.04 -0.30 -0.00 0.00 0.21 0.00 0.00 27.48 27.35 1fdu h GLN 217 CO -0.04 0.87 -0.02 -0.92 -1.93 0.00 0.00 178.83 176.80 1fdu h TYR 218 N 1.36 0.12 -0.99 3.99 3.20 0.21 -2.60 116.97 122.26 1fdu h TYR 218 Ca 0.37 -0.03 0.10 0.00 3.14 0.00 0.00 58.73 62.32 1fdu h TYR 218 Cb -0.14 -0.03 -0.08 0.00 1.54 0.00 0.00 36.73 38.02 1fdu h TYR 218 CO -0.00 0.47 0.63 -0.07 -1.64 0.00 0.00 178.16 177.55 1fdu h LEU 219 N -0.27 0.93 0.33 2.82 3.38 -0.69 0.30 115.31 122.12 1fdu h LEU 219 Ca 0.01 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1fdu h LEU 219 Cb 0.44 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1fdu h LEU 219 CO 0.01 0.53 -0.49 0.00 0.09 0.00 0.00 178.44 178.58 1fdu h ALA 220 N 1.52 -1.07 0.00 1.53 0.00 -0.80 -1.67 119.26 118.78 1fdu h ALA 220 Ca 0.47 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.26 1fdu h ALA 220 Cb 0.41 0.78 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1fdu h ALA 220 CO -0.23 -1.14 -0.21 1.25 0.00 0.00 0.00 179.25 178.93 1fdu h LEU 221 N -0.85 -0.61 -0.74 0.00 7.12 -0.90 -2.29 115.31 117.03 1fdu h LEU 221 Ca -0.04 0.09 0.05 0.00 0.13 0.00 0.00 57.88 58.11 1fdu h LEU 221 Cb 0.78 0.25 -0.05 0.00 -0.53 0.00 0.00 40.66 41.11 1fdu h LEU 221 CO -0.15 -0.27 0.45 -1.28 -0.13 0.00 0.00 178.44 177.06 1fdu h SER 222 N -0.33 0.70 -0.92 1.25 0.87 -0.38 -1.05 113.55 113.70 1fdu h SER 222 Ca 0.06 0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.65 1fdu h SER 222 Cb 0.41 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 62.19 1fdu h SER 222 CO -0.19 0.46 0.61 0.11 -0.53 0.00 0.00 176.83 177.29 1fdu h LYS 223 N 0.84 1.20 -0.17 2.24 1.57 -1.11 0.35 116.57 121.49 1fdu h LYS 223 Ca 0.32 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 59.01 1fdu h LYS 223 Cb 0.12 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1fdu h LYS 223 CO -0.15 0.79 0.04 0.37 -0.57 0.00 0.00 179.45 179.93 1fdu h GLN 224 N 1.23 0.26 -0.74 3.15 -0.00 -0.87 -0.38 115.11 117.77 1fdu h GLN 224 Ca 0.34 -0.06 -0.04 0.00 -0.00 0.00 0.00 58.65 58.89 1fdu h GLN 224 Cb -0.12 -0.04 -0.03 0.00 0.00 0.00 0.00 27.48 27.29 1fdu h GLN 224 CO -0.08 0.40 0.31 0.28 0.00 0.00 0.00 178.83 179.75 1fdu h VAL 225 N 0.08 1.25 0.32 2.39 2.07 -0.49 0.45 116.25 122.33 1fdu h VAL 225 Ca 0.05 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 1fdu h VAL 225 Cb 0.25 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1fdu h VAL 225 CO -0.00 0.31 -0.15 -0.26 0.02 0.00 0.00 177.57 177.49 1fdu h PHE 226 N 1.06 -0.40 -0.13 1.57 0.04 -0.18 0.83 116.94 119.74 1fdu h PHE 226 Ca 0.25 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 61.04 1fdu h PHE 226 Cb 0.19 0.13 -0.06 0.00 2.20 0.00 0.00 35.95 38.41 1fdu h PHE 226 CO 0.02 -0.14 -0.46 -0.09 -0.60 0.00 0.00 178.31 177.03 1fdu h ARG 227 N -0.61 -0.47 -0.00 1.51 2.43 -0.72 0.12 114.38 116.64 1fdu h ARG 227 Ca -0.04 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1fdu h ARG 227 Cb 0.44 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1fdu h ARG 227 CO 0.07 -0.31 -0.05 0.39 -1.51 0.00 0.00 179.97 178.56 1fdu n GLU 228 N -5.00 0.75 0.00 0.20 1.02 0.16 -4.45 120.64 113.32 1fdu n GLU 228 Ca -0.05 -0.16 0.00 0.00 -0.02 0.00 0.00 57.16 56.93 1fdu n GLU 228 Cb 0.32 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 1fdu n GLU 228 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1fdu n ALA 229 N -0.98 0.21 -1.02 0.62 0.00 0.29 -5.03 120.51 114.60 1fdu n ALA 229 Ca 0.17 -0.03 -0.31 0.00 0.00 0.00 0.00 53.44 53.26 1fdu n ALA 229 Cb 0.23 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.81 1fdu n ALA 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fdu s ALA 230 N -0.03 1.89 0.50 0.00 0.00 0.35 -4.77 121.76 119.70 1fdu s ALA 230 Ca 0.00 0.50 0.05 0.00 0.00 0.00 0.00 51.96 52.51 1fdu s ALA 230 Cb 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1fdu s ALA 230 CO 0.00 -2.22 0.28 -0.65 0.00 0.00 0.00 175.76 173.17 1fdu s GLN 231 N -4.64 2.26 0.27 0.00 -0.21 -0.42 -4.87 119.66 112.05 1fdu s GLN 231 Ca 0.65 -2.01 -0.11 0.00 0.02 0.00 0.00 55.36 53.92 1fdu s GLN 231 Cb -0.21 -1.99 -0.08 0.00 1.00 0.00 0.00 33.01 31.73 1fdu s GLN 231 CO 0.55 -0.42 0.62 -0.80 -2.12 0.00 0.00 175.29 173.12 1fdu s ASN 232 N -4.10 6.65 0.56 5.90 0.01 -1.26 -1.86 114.94 120.83 1fdu s ASN 232 Ca 0.32 1.03 0.26 0.00 -0.71 0.00 0.00 52.86 53.75 1fdu s ASN 232 Cb -0.00 -2.27 1.48 0.00 0.41 0.00 0.00 41.25 40.87 1fdu s ASN 232 CO 0.19 -0.14 2.03 -0.65 -1.51 0.00 0.00 177.10 177.01 1fdu h PRO 233 N 2.31 0.00 0.00 -0.60 0.11 -1.94 0.90 132.00 132.79 1fdu h PRO 233 Ca -0.47 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.48 1fdu h PRO 233 Cb 1.17 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1fdu h PRO 233 CO 0.67 0.00 -1.13 0.93 -0.21 0.00 0.00 178.00 178.27 1fdu h GLU 234 N 0.00 0.00 -0.21 1.05 3.07 -1.94 -1.37 114.58 115.18 1fdu h GLU 234 Ca 0.17 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.00 1fdu h GLU 234 Cb 0.79 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.69 1fdu h GLU 234 CO -0.00 0.41 -0.01 0.93 -1.40 0.00 0.00 179.01 178.94 1fdu h GLU 235 N 0.00 0.37 0.62 2.33 5.08 0.40 -2.75 114.58 120.62 1fdu h GLU 235 Ca -0.11 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 1fdu h GLU 235 Cb 1.56 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.76 1fdu h GLU 235 CO 0.06 0.58 -0.49 0.28 -1.00 0.00 0.00 179.01 178.44 1fdu h VAL 236 N 0.13 0.00 -0.60 3.13 2.07 -1.17 -1.67 116.25 118.14 1fdu h VAL 236 Ca 0.06 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.75 1fdu h VAL 236 Cb 0.42 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 1fdu h VAL 236 CO 0.01 0.00 0.83 0.00 0.02 0.00 0.00 177.57 178.43 1fdu h ALA 237 N -1.04 2.40 0.00 1.67 0.00 -1.11 0.91 119.26 122.09 1fdu h ALA 237 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1fdu h ALA 237 Cb 0.90 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1fdu h ALA 237 CO 0.01 -1.14 0.00 1.49 0.00 0.00 0.00 179.25 179.61 1fdu h GLU 238 N 0.00 0.00 -0.07 0.00 4.57 -1.00 -3.07 114.58 115.01 1fdu h GLU 238 Ca 0.28 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.31 1fdu h GLU 238 Cb 1.94 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 30.54 1fdu h GLU 238 CO -0.00 0.00 -0.58 0.28 -1.18 0.00 0.00 179.01 177.53 1fdu h VAL 239 N 0.00 1.38 -0.87 0.32 2.07 0.78 0.24 116.25 120.16 1fdu h VAL 239 Ca 0.00 -1.94 0.07 0.00 0.82 0.00 0.00 66.70 65.66 1fdu h VAL 239 Cb 0.60 2.32 -0.06 0.00 -1.52 0.00 0.00 31.29 32.64 1fdu h VAL 239 CO 0.00 0.58 0.57 -0.26 0.02 0.00 0.00 177.57 178.47 1fdu h PHE 240 N 0.08 0.97 0.00 1.57 -1.00 -1.59 0.50 116.94 117.48 1fdu h PHE 240 Ca -0.05 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.75 1fdu h PHE 240 Cb 1.24 -0.32 0.00 0.00 3.61 0.00 0.00 35.95 40.48 1fdu h PHE 240 CO 0.12 0.49 -0.00 -0.07 -1.61 0.00 0.00 178.31 177.24 1fdu h LEU 241 N 0.94 -0.00 -0.14 1.54 4.07 -1.42 0.43 115.31 120.73 1fdu h LEU 241 Ca 0.38 -0.30 0.04 0.00 0.08 0.00 0.00 57.88 58.08 1fdu h LEU 241 Cb 0.26 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 41.94 1fdu h LEU 241 CO -0.15 0.30 -0.45 0.74 -1.08 0.00 0.00 178.44 177.80 1fdu h THR 242 N -0.31 0.10 -0.75 0.22 2.02 0.23 -0.09 112.91 114.33 1fdu h THR 242 Ca -0.00 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.32 1fdu h THR 242 Cb 0.30 0.10 -0.10 0.00 -1.74 0.00 0.00 68.15 66.72 1fdu h THR 242 CO 0.00 0.00 0.29 0.00 0.37 0.00 0.00 175.52 176.18 1fdu h ALA 243 N 0.02 1.06 0.00 6.16 0.00 0.14 0.64 119.26 127.27 1fdu h ALA 243 Ca 0.07 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1fdu h ALA 243 Cb 0.64 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1fdu h ALA 243 CO -0.41 -0.23 0.00 1.37 0.00 0.00 0.00 179.25 179.98 1fdu h LEU 244 N 0.43 0.00 0.00 0.00 -0.00 0.13 -3.26 115.31 112.61 1fdu h LEU 244 Ca 0.42 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 58.29 1fdu h LEU 244 Cb 0.64 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.30 1fdu h LEU 244 CO -0.42 0.00 -0.03 0.03 -0.00 0.00 0.00 178.44 178.02 1fdu h ARG 245 N 0.00 0.00 -5.34 0.17 3.08 0.86 -3.46 114.38 109.68 1fdu h ARG 245 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 1fdu h ARG 245 Cb 0.48 0.00 0.07 0.00 0.08 0.00 0.00 29.97 30.61 1fdu h ARG 245 CO 0.00 0.43 -0.24 0.00 -1.07 0.00 0.00 179.97 179.09 1fdu n ALA 246 N -2.74 -2.95 0.10 0.04 0.00 -0.89 -4.82 120.51 109.25 1fdu n ALA 246 Ca -0.05 0.45 -0.04 0.00 0.00 0.00 0.00 53.44 53.80 1fdu n ALA 246 Cb 0.22 -1.49 0.11 0.00 0.00 0.00 0.00 19.45 18.29 1fdu n ALA 246 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1fdu h PRO 247 N 1.67 0.14 -2.74 0.00 0.13 -1.91 -3.35 132.00 125.94 1fdu h PRO 247 Ca -0.34 -0.11 -0.60 0.00 -0.87 0.00 0.00 66.00 64.08 1fdu h PRO 247 Cb 1.28 0.02 -0.40 0.00 0.13 0.00 0.00 31.00 32.03 1fdu h PRO 247 CO 0.54 0.75 -0.80 0.21 -0.23 0.00 0.00 178.00 178.47 1fdu s LYS 248 N -3.59 1.19 0.33 0.86 2.47 -1.26 -5.12 119.74 114.62 1fdu s LYS 248 Ca -0.03 -2.08 -0.26 0.00 -1.56 0.00 0.00 55.97 52.05 1fdu s LYS 248 Cb 0.12 -2.01 -0.10 0.00 -1.46 0.00 0.00 37.83 34.38 1fdu s LYS 248 CO 0.79 -1.25 0.97 -1.25 0.16 0.00 0.00 175.35 174.77 1fdu s PRO 249 N 0.18 4.51 0.90 4.03 0.04 -1.26 -5.07 135.00 138.33 1fdu s PRO 249 Ca 0.23 1.39 -0.14 0.00 0.04 0.00 0.00 61.00 62.52 1fdu s PRO 249 Cb -0.14 -2.78 0.15 0.00 0.04 0.00 0.00 34.50 31.78 1fdu s PRO 249 CO -0.07 0.20 1.25 0.95 0.04 0.00 0.00 177.00 179.37 1fdu s THR 250 N -1.60 1.99 0.23 1.26 -4.23 -1.26 -4.93 115.64 107.11 1fdu s THR 250 Ca 0.51 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 61.08 1fdu s THR 250 Cb -0.20 -2.98 -0.06 0.00 1.34 0.00 0.00 72.50 70.60 1fdu s THR 250 CO 0.25 0.00 1.54 0.25 -0.54 0.00 0.00 174.62 176.12 1fdu h LEU 251 N -1.42 0.17 -8.34 4.79 5.85 -1.94 -3.39 115.31 111.02 1fdu h LEU 251 Ca -0.45 -0.11 -0.51 0.00 0.84 0.00 0.00 57.88 57.65 1fdu h LEU 251 Cb 1.28 -0.05 -0.27 0.00 0.37 0.00 0.00 40.66 41.98 1fdu h LEU 251 CO 0.50 0.79 -0.82 -0.13 -0.34 0.00 0.00 178.44 178.44 1fdu s ARG 252 N -3.59 1.21 -0.10 1.25 0.52 -1.26 0.13 118.95 117.12 1fdu s ARG 252 Ca -0.03 -0.70 -0.01 0.00 -0.52 0.00 0.00 55.73 54.48 1fdu s ARG 252 Cb 0.12 -1.22 0.03 0.00 0.52 0.00 0.00 34.95 34.39 1fdu s ARG 252 CO 0.79 0.32 -0.06 0.71 0.02 0.00 0.00 175.30 177.09 1fdu s TYR 253 N -0.59 1.27 -0.15 -0.53 2.02 -0.40 -4.92 117.35 114.05 1fdu s TYR 253 Ca 0.05 -0.59 -0.09 0.00 -0.37 0.00 0.00 57.07 56.08 1fdu s TYR 253 Cb -0.07 -1.11 -0.04 0.00 -0.40 0.00 0.00 41.96 40.33 1fdu s TYR 253 CO 0.00 -0.46 0.15 -0.06 -1.57 0.00 0.00 175.55 173.62 1fdu s PHE 254 N 1.72 3.52 -1.97 2.71 0.08 -1.26 0.15 117.98 122.94 1fdu s PHE 254 Ca 0.04 0.46 0.30 0.00 0.12 0.00 0.00 56.93 57.85 1fdu s PHE 254 Cb -0.13 -2.05 1.43 0.00 -0.57 0.00 0.00 43.02 41.70 1fdu s PHE 254 CO -0.07 0.54 1.97 0.25 -0.10 0.00 0.00 175.22 177.80 1fdu n THR 255 N 2.66 0.00 -3.51 0.64 -2.24 -0.15 -4.84 114.28 106.84 1fdu n THR 255 Ca -0.18 -0.08 -0.17 0.00 -2.27 0.00 0.00 64.05 61.35 1fdu n THR 255 Cb 0.54 -0.11 -0.05 0.00 -2.10 0.00 0.00 70.33 68.60 1fdu n THR 255 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1fdu s THR 256 N -2.20 0.00 -0.54 4.28 -1.32 -1.26 -4.99 115.64 109.62 1fdu s THR 256 Ca 0.38 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 61.09 1fdu s THR 256 Cb 0.21 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.23 1fdu s THR 256 CO 0.40 0.00 1.23 -0.33 -2.21 0.00 0.00 174.62 173.72 1fdu h GLU 257 N 2.83 0.00 -0.59 7.08 4.39 -1.99 -3.41 114.58 122.89 1fdu h GLU 257 Ca -0.27 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.53 1fdu h GLU 257 Cb 1.17 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.71 1fdu h GLU 257 CO 0.38 0.00 -0.18 -2.13 -1.16 0.00 0.00 179.01 175.92 1fdu n ARG 258 N -2.26 -0.09 -0.93 2.33 0.63 -1.26 0.12 116.66 115.20 1fdu n ARG 258 Ca 0.02 0.91 -0.03 0.00 -0.92 0.00 0.00 57.85 57.83 1fdu n ARG 258 Cb 0.47 -1.35 0.30 0.00 0.45 0.00 0.00 32.46 32.32 1fdu n ARG 258 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1fdu n PHE 259 N -4.92 2.14 0.09 -0.14 3.01 -1.26 -4.42 117.46 111.96 1fdu n PHE 259 Ca 0.08 -1.17 -0.04 0.00 1.01 0.00 0.00 57.45 57.33 1fdu n PHE 259 Cb 0.27 -0.62 -0.07 0.00 -0.01 0.00 0.00 39.48 39.05 1fdu n PHE 259 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1fdu h LEU 260 N 2.50 0.00 -0.47 4.37 4.07 0.55 0.90 115.31 127.24 1fdu h LEU 260 Ca 0.21 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 58.01 1fdu h LEU 260 Cb 2.16 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.89 1fdu h LEU 260 CO 0.64 0.84 -0.50 1.55 -1.08 0.00 0.00 178.44 179.88 1fdu h PRO 261 N 0.00 0.69 0.00 1.13 0.13 -1.77 -0.73 132.00 131.44 1fdu h PRO 261 Ca -0.01 -0.41 -0.07 0.00 -0.87 0.00 0.00 66.00 64.64 1fdu h PRO 261 Cb 1.63 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.79 1fdu h PRO 261 CO 0.11 1.03 -0.33 1.25 -0.23 0.00 0.00 178.00 179.83 1fdu h LEU 262 N 0.54 0.00 0.15 1.56 5.85 -1.78 -1.69 115.31 119.93 1fdu h LEU 262 Ca 0.02 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1fdu h LEU 262 Cb 1.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1fdu h LEU 262 CO 0.10 0.33 -0.07 0.25 -0.34 0.00 0.00 178.44 178.71 1fdu h LEU 263 N 0.00 -0.17 -0.49 2.25 6.46 0.12 -3.10 115.31 120.39 1fdu h LEU 263 Ca -0.00 -0.36 0.07 0.00 -0.12 0.00 0.00 57.88 57.47 1fdu h LEU 263 Cb 1.19 0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 41.10 1fdu h LEU 263 CO 0.04 0.32 0.15 0.03 -0.62 0.00 0.00 178.44 178.37 1fdu h ARG 264 N -0.72 0.31 -0.94 1.25 3.08 -1.13 -0.77 114.38 115.46 1fdu h ARG 264 Ca -0.02 -0.02 0.20 0.00 0.07 0.00 0.00 59.98 60.21 1fdu h ARG 264 Cb 0.52 -0.07 -0.18 0.00 0.08 0.00 0.00 29.97 30.32 1fdu h ARG 264 CO 0.03 0.20 -0.20 0.00 -1.07 0.00 0.00 179.97 178.94 1fdu h MET 265 N 0.32 0.00 -0.33 0.04 -0.00 -1.33 0.59 114.93 114.21 1fdu h MET 265 Ca 0.24 -0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 59.86 1fdu h MET 265 Cb 0.27 -0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.86 1fdu h MET 265 CO -0.26 0.00 -0.08 -0.09 -0.00 0.00 0.00 176.91 176.48 1fdu h ARG 266 N 0.00 0.65 -0.80 -0.10 2.43 -1.22 -3.21 114.38 112.12 1fdu h ARG 266 Ca 0.47 -0.25 0.07 0.00 -0.81 0.00 0.00 59.98 59.46 1fdu h ARG 266 Cb 0.75 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.20 1fdu h ARG 266 CO -0.95 0.82 0.47 -0.07 -1.51 0.00 0.00 179.97 178.73 1fdu h LEU 267 N 0.43 0.71 -2.63 3.80 3.38 0.14 -2.05 115.31 119.09 1fdu h LEU 267 Ca 0.08 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 1fdu h LEU 267 Cb 0.58 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 1fdu h LEU 267 CO 0.03 0.43 0.14 -0.90 0.09 0.00 0.00 178.44 178.24 1fdu n ASP 268 N -4.71 3.47 -3.30 -0.43 5.68 0.63 -4.57 116.55 113.32 1fdu n ASP 268 Ca 0.12 -2.63 -0.20 0.00 -0.50 0.00 0.00 54.79 51.57 1fdu n ASP 268 Cb 0.22 -0.63 -0.08 0.00 -1.14 0.00 0.00 41.12 39.49 1fdu n ASP 268 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1fdu s ASP 269 N -0.33 1.11 0.10 -1.12 2.15 -0.77 -5.02 116.67 112.80 1fdu s ASP 269 Ca 0.29 -2.21 -0.22 0.00 0.43 0.00 0.00 52.55 50.85 1fdu s ASP 269 Cb 0.23 0.28 -0.11 0.00 -0.30 0.00 0.00 42.92 43.02 1fdu s ASP 269 CO 0.07 -0.20 1.75 -0.65 -0.17 0.00 0.00 175.17 175.97 1fdu h PRO 270 N 6.25 0.10 0.00 4.34 0.11 -1.81 -2.76 132.00 138.24 1fdu h PRO 270 Ca 0.13 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1fdu h PRO 270 Cb 1.00 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1fdu h PRO 270 CO 0.24 0.07 0.23 0.66 -0.21 0.00 0.00 178.00 178.98 1fdu h SER 271 N 0.11 0.00 0.00 -2.05 4.64 -1.95 -3.45 113.55 110.85 1fdu h SER 271 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1fdu h SER 271 Cb -0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1fdu h SER 271 CO -0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.55 1fdu n GLY 272 N -1.25 0.35 0.10 -0.77 0.00 -1.04 -4.89 105.19 97.68 1fdu n GLY 272 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.12 1fdu n GLY 272 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1fdu n SER 273 N -0.31 0.75 0.43 1.61 7.64 -1.26 -3.04 113.62 119.45 1fdu n SER 273 Ca 0.00 0.27 -0.17 0.00 1.01 0.00 0.00 58.87 59.98 1fdu n SER 273 Cb 0.15 0.60 -0.08 0.00 -1.01 0.00 0.00 64.21 63.88 1fdu n SER 273 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1fdu h ASN 274 N 0.00 -0.95 -0.82 6.43 -0.26 -1.90 -1.17 115.58 116.92 1fdu h ASN 274 Ca 0.00 0.03 0.18 0.00 -0.56 0.00 0.00 56.30 55.95 1fdu h ASN 274 Cb 0.98 0.24 -0.11 0.00 -1.06 0.00 0.00 38.32 38.38 1fdu h ASN 274 CO 0.00 -0.61 0.32 0.22 -1.06 0.00 0.00 177.43 176.30 1fdu h TYR 275 N -1.25 0.54 -0.74 1.19 5.03 -1.84 -0.73 116.97 119.18 1fdu h TYR 275 Ca -0.11 0.04 0.03 0.00 2.58 0.00 0.00 58.73 61.27 1fdu h TYR 275 Cb 0.86 -0.11 -0.05 0.00 1.55 0.00 0.00 36.73 38.98 1fdu h TYR 275 CO 0.01 0.00 0.46 0.28 -1.32 0.00 0.00 178.16 177.59 1fdu h VAL 276 N 0.41 1.10 0.29 1.81 2.07 -1.39 0.14 116.25 120.68 1fdu h VAL 276 Ca 0.48 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.67 1fdu h VAL 276 Cb 0.81 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1fdu h VAL 276 CO -0.47 0.16 -0.14 0.74 0.02 0.00 0.00 177.57 177.88 1fdu h THR 277 N 0.90 0.74 -0.31 2.57 2.02 0.09 0.26 112.91 119.19 1fdu h THR 277 Ca 0.30 -0.53 0.07 0.00 0.77 0.00 0.00 66.41 67.02 1fdu h THR 277 Cb 0.02 1.02 -0.08 0.00 -1.74 0.00 0.00 68.15 67.37 1fdu h THR 277 CO -0.11 0.11 -0.35 0.00 0.37 0.00 0.00 175.52 175.54 1fdu h ALA 278 N -0.08 -0.30 -0.50 6.16 0.00 -1.18 0.47 119.26 123.83 1fdu h ALA 278 Ca -0.04 0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1fdu h ALA 278 Cb 0.47 0.71 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 1fdu h ALA 278 CO 0.07 -0.78 0.22 1.98 0.00 0.00 0.00 179.25 180.73 1fdu h MET 279 N -0.32 0.41 0.18 0.00 -1.53 -0.95 0.88 114.93 113.60 1fdu h MET 279 Ca 0.14 -0.02 0.01 0.00 -3.44 0.00 0.00 59.70 56.39 1fdu h MET 279 Cb 0.55 -0.09 -0.03 0.00 -0.55 0.00 0.00 31.60 31.48 1fdu h MET 279 CO -0.48 0.27 -0.30 1.25 0.14 0.00 0.00 176.91 177.79 1fdu h HIS 280 N 0.42 -0.81 0.03 1.39 2.76 0.17 -2.26 115.15 116.85 1fdu h HIS 280 Ca 0.23 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.42 1fdu h HIS 280 Cb 0.20 0.34 0.00 0.00 1.55 0.00 0.00 27.41 29.50 1fdu h HIS 280 CO -0.13 -0.42 -0.01 0.07 -1.30 0.00 0.00 177.93 176.14 1fdu h ARG 281 N -0.56 -0.04 0.00 5.26 0.11 0.52 -1.74 114.38 117.93 1fdu h ARG 281 Ca 0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.10 1fdu h ARG 281 Cb 0.56 0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.65 1fdu h ARG 281 CO -0.14 -0.01 0.07 -1.91 0.10 0.00 0.00 179.97 178.08 1fdu n GLU 282 N -5.10 0.00 0.00 0.08 2.13 0.30 0.13 120.64 118.18 1fdu n GLU 282 Ca -0.07 0.32 0.00 0.00 0.66 0.00 0.00 57.16 58.06 1fdu n GLU 282 Cb 0.05 -1.57 0.00 0.00 0.27 0.00 0.00 31.44 30.19 1fdu n GLU 282 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1fdu n VAL 283 N -1.29 0.00 -1.86 6.31 0.31 -0.88 -4.75 118.33 116.17 1fdu n VAL 283 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 1fdu n VAL 283 Cb 0.07 -0.60 0.12 0.00 -0.91 0.00 0.00 33.84 32.52 1fdu n VAL 283 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1fdu n PHE 284 N -1.78 1.16 0.00 3.52 3.01 -0.67 -4.66 117.46 118.04 1fdu n PHE 284 Ca 0.00 -1.76 0.00 0.00 1.01 0.00 0.00 57.45 56.70 1fdu n PHE 284 Cb 0.36 -0.28 0.00 0.00 -0.01 0.00 0.00 39.48 39.55 1fdu n PHE 284 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18