#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iex s TYR 2 N 0.00 2.83 -0.55 2.11 5.04 -1.26 -4.98 117.35 120.53 1iex s TYR 2 Ca 0.00 0.54 -0.08 0.00 -2.44 0.00 0.00 57.07 55.10 1iex s TYR 2 Cb 0.00 -3.91 0.14 0.00 0.35 0.00 0.00 41.96 38.54 1iex s TYR 2 CO 0.00 -3.47 0.42 0.08 -1.34 0.00 0.00 175.55 171.24 1iex s VAL 3 N 1.74 4.20 0.19 3.14 1.01 -1.26 -4.99 120.40 124.43 1iex s VAL 3 Ca 0.71 -2.21 -0.22 0.00 0.00 0.00 0.00 61.98 60.26 1iex s VAL 3 Cb -0.41 -3.74 0.10 0.00 0.00 0.00 0.00 36.38 32.33 1iex s VAL 3 CO 0.31 -0.83 1.57 0.25 0.00 0.00 0.00 175.10 176.41 1iex h LEU 4 N 7.96 -1.36 -2.29 3.92 7.12 -1.97 -2.05 115.31 126.65 1iex h LEU 4 Ca -0.11 0.25 0.02 0.00 0.13 0.00 0.00 57.88 58.17 1iex h LEU 4 Cb 1.04 0.65 -0.00 0.00 -0.53 0.00 0.00 40.66 41.82 1iex h LEU 4 CO 0.79 -0.31 0.24 0.10 -0.13 0.00 0.00 178.44 179.13 1iex h TYR 5 N -0.16 0.00 -0.01 1.25 -0.00 -1.88 0.87 116.97 117.04 1iex h TYR 5 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.96 1iex h TYR 5 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.29 1iex h TYR 5 CO -0.71 0.00 -0.19 1.63 -0.00 0.00 0.00 178.16 178.89 1iex n LYS 6 N -3.15 1.12 -2.80 0.10 5.02 -0.77 -4.79 118.16 112.89 1iex n LYS 6 Ca -0.01 -0.68 -0.43 0.00 -2.02 0.00 0.00 58.31 55.17 1iex n LYS 6 Cb 0.31 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.80 1iex n LYS 6 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1iex s ASP 7 N -2.35 6.35 0.46 4.39 -1.08 0.30 -4.90 116.67 119.83 1iex s ASP 7 Ca 0.28 -0.30 0.31 0.00 -0.52 0.00 0.00 52.55 52.32 1iex s ASP 7 Cb 0.20 -2.45 1.63 0.00 -1.46 0.00 0.00 42.92 40.83 1iex s ASP 7 CO 0.47 -1.27 1.96 0.00 0.52 0.00 0.00 175.17 176.84 1iex h ALA 8 N 9.36 1.00 -0.01 3.66 0.00 -1.86 -2.52 119.26 128.88 1iex h ALA 8 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1iex h ALA 8 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1iex h ALA 8 CO 1.11 0.00 -0.04 0.25 0.00 0.00 0.00 179.25 180.57 1iex n THR 9 N -2.64 0.00 -3.44 0.00 -2.24 -1.26 -4.90 114.28 99.81 1iex n THR 9 Ca -0.01 -0.19 -0.32 0.00 -2.27 0.00 0.00 64.05 61.26 1iex n THR 9 Cb 0.10 0.31 -0.05 0.00 -2.10 0.00 0.00 70.33 68.59 1iex n THR 9 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1iex s LYS 10 N -2.09 3.78 0.53 -0.78 -0.14 -0.95 -5.05 119.74 115.04 1iex s LYS 10 Ca 0.37 0.23 -0.22 0.00 -1.36 0.00 0.00 55.97 54.99 1iex s LYS 10 Cb 0.21 -2.67 -0.05 0.00 -1.68 0.00 0.00 37.83 33.64 1iex s LYS 10 CO 0.37 0.33 1.36 -1.25 -0.76 0.00 0.00 175.35 175.40 1iex s PRO 11 N -2.83 3.23 0.19 -1.68 0.04 -1.26 -4.83 135.00 127.87 1iex s PRO 11 Ca 0.47 2.24 -0.16 0.00 0.04 0.00 0.00 61.00 63.59 1iex s PRO 11 Cb -0.11 -2.31 0.18 0.00 0.04 0.00 0.00 34.50 32.29 1iex s PRO 11 CO 0.22 -1.12 1.62 0.28 0.04 0.00 0.00 177.00 178.04 1iex h VAL 12 N 1.57 0.36 0.00 -0.36 2.07 -1.96 -1.88 116.25 116.05 1iex h VAL 12 Ca -0.51 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 1iex h VAL 12 Cb 1.29 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1iex h VAL 12 CO 0.58 0.00 -0.00 -0.33 0.02 0.00 0.00 177.57 177.84 1iex h GLU 13 N -0.06 0.00 -0.13 1.57 4.39 -1.98 -1.39 114.58 116.99 1iex h GLU 13 Ca 0.26 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.83 1iex h GLU 13 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1iex h GLU 13 CO -0.60 0.00 -0.44 -0.44 -1.16 0.00 0.00 179.01 176.37 1iex h ASP 14 N 0.00 0.61 -0.63 1.42 3.32 -1.71 -2.28 116.42 117.15 1iex h ASP 14 Ca -0.00 -0.61 -0.04 0.00 0.02 0.00 0.00 57.03 56.40 1iex h ASP 14 Cb 0.00 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 1iex h ASP 14 CO 0.00 1.12 0.27 0.03 -1.72 0.00 0.00 179.24 178.93 1iex h ARG 15 N 0.14 0.97 -0.02 3.56 3.08 -1.14 -0.02 114.38 120.95 1iex h ARG 15 Ca -0.02 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 59.87 1iex h ARG 15 Cb 1.07 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.95 1iex h ARG 15 CO 0.09 0.79 0.01 0.28 -1.07 0.00 0.00 179.97 180.07 1iex h VAL 16 N 0.95 1.17 -0.90 2.04 2.07 -1.26 -1.74 116.25 118.58 1iex h VAL 16 Ca 0.22 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1iex h VAL 16 Cb 0.18 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 1iex h VAL 16 CO -0.02 0.13 0.57 0.00 0.02 0.00 0.00 177.57 178.27 1iex h ALA 17 N 0.80 1.15 -0.45 1.67 0.00 -1.09 0.09 119.26 121.43 1iex h ALA 17 Ca 0.01 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 1iex h ALA 17 Cb 0.21 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1iex h ALA 17 CO -0.00 0.58 -0.23 0.22 0.00 0.00 0.00 179.25 179.82 1iex h ASP 18 N 1.23 0.95 -0.06 0.00 1.82 -0.94 -2.82 116.42 116.61 1iex h ASP 18 Ca 0.33 -0.36 -0.08 0.00 -0.39 0.00 0.00 57.03 56.53 1iex h ASP 18 Cb -0.09 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 39.66 1iex h ASP 18 CO -0.07 1.14 -0.26 0.25 -1.61 0.00 0.00 179.24 178.70 1iex h LEU 19 N 0.80 0.33 -0.78 2.28 5.85 -1.03 -3.26 115.31 119.50 1iex h LEU 19 Ca 0.10 -0.64 0.13 0.00 0.84 0.00 0.00 57.88 58.31 1iex h LEU 19 Cb 0.80 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.64 1iex h LEU 19 CO 0.07 0.92 0.37 0.25 -0.34 0.00 0.00 178.44 179.71 1iex h LEU 20 N -0.23 0.44 -1.69 2.25 5.85 -1.02 -0.98 115.31 119.93 1iex h LEU 20 Ca -0.01 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1iex h LEU 20 Cb 0.90 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.95 1iex h LEU 20 CO 0.05 0.21 0.00 1.23 -0.34 0.00 0.00 178.44 179.59 1iex h GLY 21 N 0.57 0.00 0.21 3.75 0.00 -1.54 -2.48 103.07 103.58 1iex h GLY 21 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1iex h GLY 21 CO -0.34 0.00 -0.96 0.54 0.00 0.00 0.00 176.54 175.78 1iex n ARG 22 N -2.54 0.05 -2.75 4.80 1.74 -0.38 -5.00 116.66 112.59 1iex n ARG 22 Ca -0.01 -0.01 -0.37 0.00 -0.77 0.00 0.00 57.85 56.69 1iex n ARG 22 Cb 0.10 -1.51 -0.06 0.00 -1.02 0.00 0.00 32.46 29.98 1iex n ARG 22 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1iex s MET 23 N -3.04 4.53 0.57 5.56 -1.94 -0.94 -5.08 119.30 118.97 1iex s MET 23 Ca 0.08 1.35 -0.01 0.00 -1.71 0.00 0.00 55.69 55.40 1iex s MET 23 Cb 0.16 -2.77 0.03 0.00 2.01 0.00 0.00 34.83 34.27 1iex s MET 23 CO 0.84 0.23 0.82 0.95 -0.01 0.00 0.00 175.02 177.85 1iex s THR 24 N -1.63 2.85 0.28 2.05 -4.23 -1.26 -4.92 115.64 108.79 1iex s THR 24 Ca 0.51 -0.51 -0.02 0.00 -1.18 0.00 0.00 61.69 60.49 1iex s THR 24 Cb -0.19 -3.11 0.27 0.00 1.34 0.00 0.00 72.50 70.81 1iex s THR 24 CO 0.24 -0.08 1.94 0.25 -0.54 0.00 0.00 174.62 176.43 1iex h LEU 25 N -0.04 1.00 -0.74 4.79 5.85 -1.99 -1.56 115.31 122.62 1iex h LEU 25 Ca -0.43 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.23 1iex h LEU 25 Cb 1.29 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 1iex h LEU 25 CO 0.55 0.70 0.29 0.00 -0.34 0.00 0.00 178.44 179.64 1iex h ALA 26 N 1.46 0.96 -0.17 1.25 0.00 -1.99 -1.58 119.26 119.19 1iex h ALA 26 Ca 0.35 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 1iex h ALA 26 Cb -0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1iex h ALA 26 CO -0.10 0.59 -0.50 0.93 0.00 0.00 0.00 179.25 180.17 1iex h GLU 27 N 1.07 0.46 -0.12 0.00 5.08 -1.75 -1.76 114.58 117.55 1iex h GLU 27 Ca 0.25 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1iex h GLU 27 Cb 0.22 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 1iex h GLU 27 CO -0.02 0.86 -0.07 0.87 -1.00 0.00 0.00 179.01 179.65 1iex h LYS 28 N 0.36 0.25 -0.10 2.33 1.57 -1.08 -2.62 116.57 117.28 1iex h LYS 28 Ca 0.02 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 1iex h LYS 28 Cb 1.01 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 1iex h LYS 28 CO 0.09 0.61 -0.13 0.82 -0.57 0.00 0.00 179.45 180.27 1iex h ILE 29 N -0.10 1.15 -0.85 1.86 2.04 -1.30 -2.17 117.51 118.13 1iex h ILE 29 Ca 0.03 -0.67 0.01 0.00 1.00 0.00 0.00 64.86 65.23 1iex h ILE 29 Cb 0.53 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 1iex h ILE 29 CO 0.02 0.20 0.56 1.23 0.00 0.00 0.00 178.15 180.17 1iex h GLY 30 N 0.63 1.21 2.00 5.37 0.00 -1.09 -1.85 103.07 109.34 1iex h GLY 30 Ca 0.03 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 1iex h GLY 30 CO 0.02 0.43 -0.12 1.46 0.00 0.00 0.00 176.54 178.32 1iex h GLN 31 N 1.14 0.00 -0.11 4.80 1.08 -1.02 -0.77 115.11 120.23 1iex h GLN 31 Ca 0.32 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.52 1iex h GLN 31 Cb -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.32 1iex h GLN 31 CO -0.08 0.12 0.00 -1.33 -0.95 0.00 0.00 178.83 176.60 1iex n MET 32 N -3.61 1.58 -4.08 1.46 2.81 -0.70 -4.46 117.12 110.12 1iex n MET 32 Ca -0.02 -0.87 -0.35 0.00 -1.81 0.00 0.00 57.70 54.65 1iex n MET 32 Cb 0.25 -1.40 -0.13 0.00 -0.71 0.00 0.00 33.22 31.24 1iex n MET 32 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1iex s THR 33 N -1.86 3.84 -0.15 2.03 2.01 -0.93 -1.12 115.64 119.45 1iex s THR 33 Ca 0.33 -0.35 0.01 0.00 0.31 0.00 0.00 61.69 61.99 1iex s THR 33 Cb 0.17 -2.73 0.00 0.00 0.01 0.00 0.00 72.50 69.95 1iex s THR 33 CO 0.27 0.43 -0.17 -1.58 -0.69 0.00 0.00 174.62 172.88 1iex s GLN 34 N 1.03 3.17 0.19 4.92 0.74 -0.76 -2.82 119.66 126.13 1iex s GLN 34 Ca 0.02 -0.77 0.11 0.00 0.05 0.00 0.00 55.36 54.76 1iex s GLN 34 Cb -0.14 -2.58 -0.04 0.00 1.10 0.00 0.00 33.01 31.34 1iex s GLN 34 CO 0.01 0.01 -0.22 0.96 -0.55 0.00 0.00 175.29 175.50 1iex s ILE 35 N 0.80 2.22 0.51 -2.34 -4.36 -0.84 -2.46 121.20 114.72 1iex s ILE 35 Ca -0.06 -2.01 -0.21 0.00 -0.26 0.00 0.00 60.65 58.11 1iex s ILE 35 Cb -0.15 -2.05 -0.06 0.00 1.25 0.00 0.00 42.46 41.44 1iex s ILE 35 CO -0.00 -0.17 1.17 -0.70 0.24 0.00 0.00 174.94 175.47 1iex s GLU 36 N -2.72 3.51 0.48 0.37 -6.30 -0.21 -2.35 118.70 111.48 1iex s GLU 36 Ca 0.20 1.75 0.15 0.00 -2.50 0.00 0.00 54.97 54.57 1iex s GLU 36 Cb -0.07 -2.22 1.12 0.00 0.00 0.00 0.00 34.13 32.96 1iex s GLU 36 CO 0.09 -0.76 2.06 0.07 0.02 0.00 0.00 175.26 176.74 1iex h ARG 37 N 1.61 0.00 -0.23 4.30 0.11 -1.74 -2.51 114.38 115.92 1iex h ARG 37 Ca -0.50 0.00 0.07 0.00 0.10 0.00 0.00 59.98 59.65 1iex h ARG 37 Cb 1.26 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.33 1iex h ARG 37 CO 0.58 0.11 0.19 -0.07 0.10 0.00 0.00 179.97 180.88 1iex h LEU 38 N 0.00 0.00 -2.89 0.08 3.38 -1.91 -1.53 115.31 112.44 1iex h LEU 38 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1iex h LEU 38 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1iex h LEU 38 CO 0.01 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.87 1iex n VAL 39 N -4.25 1.14 -3.34 1.22 0.24 -0.95 -5.00 118.33 107.38 1iex n VAL 39 Ca 0.03 -1.07 -0.33 0.00 -2.04 0.00 0.00 64.34 60.93 1iex n VAL 39 Cb 0.33 0.43 -0.06 0.00 -1.47 0.00 0.00 33.84 33.08 1iex n VAL 39 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1iex s ALA 40 N -1.17 3.52 -0.02 2.33 0.00 -0.58 -5.01 121.76 120.84 1iex s ALA 40 Ca 0.33 -0.17 -0.16 0.00 0.00 0.00 0.00 51.96 51.96 1iex s ALA 40 Cb 0.18 -2.53 0.03 0.00 0.00 0.00 0.00 23.12 20.80 1iex s ALA 40 CO 0.20 0.46 0.34 0.99 0.00 0.00 0.00 175.76 177.76 1iex s THR 41 N -1.75 0.05 0.24 0.00 2.01 -1.26 -5.02 115.64 109.91 1iex s THR 41 Ca 0.46 -0.43 -0.04 0.00 0.31 0.00 0.00 61.69 61.99 1iex s THR 41 Cb -0.12 -0.65 0.21 0.00 0.01 0.00 0.00 72.50 71.95 1iex s THR 41 CO 0.20 -0.24 1.78 -0.65 -0.69 0.00 0.00 174.62 175.02 1iex h PRO 42 N 3.78 0.63 -0.49 4.92 0.11 -1.95 -1.40 132.00 137.60 1iex h PRO 42 Ca -0.29 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 1iex h PRO 42 Cb 1.17 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1iex h PRO 42 CO 0.40 0.42 0.27 -0.44 -0.21 0.00 0.00 178.00 178.43 1iex h ASP 43 N 0.65 0.62 -0.48 -2.05 3.45 -1.98 -1.65 116.42 114.99 1iex h ASP 43 Ca 0.40 -0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.77 1iex h ASP 43 Cb 0.48 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 39.06 1iex h ASP 43 CO -0.30 0.54 0.30 0.58 -1.57 0.00 0.00 179.24 178.79 1iex h VAL 44 N 0.65 1.14 -0.30 -1.35 2.07 -1.74 0.12 116.25 116.84 1iex h VAL 44 Ca 0.17 -0.29 -0.08 0.00 0.82 0.00 0.00 66.70 67.33 1iex h VAL 44 Cb 0.06 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1iex h VAL 44 CO -0.03 0.14 -0.15 -0.07 0.02 0.00 0.00 177.57 177.48 1iex h LEU 45 N 0.64 0.51 0.06 2.57 3.38 -1.14 -1.90 115.31 119.44 1iex h LEU 45 Ca 0.17 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1iex h LEU 45 Cb -0.04 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1iex h LEU 45 CO -0.03 0.68 -0.03 -0.09 0.09 0.00 0.00 178.44 179.06 1iex h ARG 46 N 0.48 -0.08 0.00 1.13 2.43 -0.99 -2.62 114.38 114.73 1iex h ARG 46 Ca 0.08 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.22 1iex h ARG 46 Cb 0.53 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 1iex h ARG 46 CO 0.03 0.43 -0.17 -0.44 -1.51 0.00 0.00 179.97 178.31 1iex h ASP 47 N -0.94 0.00 -0.18 -3.80 3.32 -0.82 -3.03 116.42 110.97 1iex h ASP 47 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1iex h ASP 47 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1iex h ASP 47 CO 0.01 0.17 0.00 0.59 -1.72 0.00 0.00 179.24 178.30 1iex n ASN 48 N -4.29 2.93 -3.95 6.45 3.02 -0.71 -4.99 115.26 113.72 1iex n ASN 48 Ca -0.02 -1.88 -0.31 0.00 -0.03 0.00 0.00 54.58 52.34 1iex n ASN 48 Cb 0.24 -0.10 0.02 0.00 -0.61 0.00 0.00 39.78 39.32 1iex n ASN 48 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1iex n PHE 49 N 1.18 -2.25 -1.65 3.10 3.01 -1.01 -4.40 117.46 115.45 1iex n PHE 49 Ca 0.14 0.90 -0.43 0.00 1.01 0.00 0.00 57.45 59.07 1iex n PHE 49 Cb 0.52 -3.88 -0.00 0.00 -0.01 0.00 0.00 39.48 36.11 1iex n PHE 49 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 1iex n ILE 50 N -4.66 2.16 -0.03 4.37 2.08 -1.09 -3.55 119.36 118.64 1iex n ILE 50 Ca 0.04 -0.50 0.05 0.00 0.56 0.00 0.00 62.75 62.91 1iex n ILE 50 Cb 0.52 -1.34 -0.15 0.00 -0.75 0.00 0.00 39.64 37.92 1iex n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1iex n GLY 51 N 0.97 -0.90 3.36 7.39 0.00 -0.34 -4.80 105.19 110.88 1iex n GLY 51 Ca 0.07 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 1iex n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1iex s SER 52 N -4.52 -0.37 0.18 1.61 0.15 -1.13 -2.52 113.70 107.11 1iex s SER 52 Ca -0.08 0.03 0.03 0.00 0.70 0.00 0.00 55.95 56.63 1iex s SER 52 Cb 0.11 0.48 -0.05 0.00 -1.71 0.00 0.00 66.02 64.85 1iex s SER 52 CO 0.81 -0.74 -0.01 -0.76 1.20 0.00 0.00 173.24 173.73 1iex s LEU 53 N -2.17 2.19 0.21 3.45 1.43 -0.95 -1.98 118.68 120.85 1iex s LEU 53 Ca -0.03 -1.16 -0.17 0.00 -1.03 0.00 0.00 54.13 51.73 1iex s LEU 53 Cb -0.00 -0.14 0.02 0.00 0.03 0.00 0.00 46.19 46.10 1iex s LEU 53 CO -0.04 -0.53 0.53 -1.48 0.23 0.00 0.00 176.35 175.06 1iex s LEU 54 N -3.21 0.08 -0.15 1.79 2.34 -0.99 -1.11 118.68 117.43 1iex s LEU 54 Ca 0.24 -0.53 0.01 0.00 0.06 0.00 0.00 54.13 53.91 1iex s LEU 54 Cb 0.06 2.15 0.01 0.00 -0.56 0.00 0.00 46.19 47.84 1iex s LEU 54 CO 0.05 -1.08 -0.19 -0.44 -1.06 0.00 0.00 176.35 173.63 1iex s SER 55 N -2.89 3.35 0.94 1.48 0.01 -1.03 -1.89 113.70 113.66 1iex s SER 55 Ca 0.11 -0.56 -0.15 0.00 1.31 0.00 0.00 55.95 56.66 1iex s SER 55 Cb -0.01 -1.50 0.18 0.00 0.21 0.00 0.00 66.02 64.90 1iex s SER 55 CO -0.01 0.06 1.29 -0.83 0.41 0.00 0.00 173.24 174.17 1iex s GLY 56 N 0.92 1.76 0.17 3.44 0.00 -1.26 -4.41 107.32 107.95 1iex s GLY 56 Ca -0.04 -1.16 -0.33 0.00 0.00 0.00 0.00 44.72 43.18 1iex s GLY 56 CO -0.03 -0.43 1.50 0.61 0.00 0.00 0.00 173.10 174.75 1iex n GLY 57 N -3.68 0.95 3.15 0.20 0.00 -1.26 -1.52 105.19 103.03 1iex n GLY 57 Ca 0.14 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.78 1iex n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iex n GLY 58 N 2.98 1.52 3.54 -0.02 0.00 -1.25 -4.32 105.19 107.64 1iex n GLY 58 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1iex n GLY 58 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1iex s SER 59 N -3.20 6.48 0.17 1.61 0.15 -0.58 -4.97 113.70 113.36 1iex s SER 59 Ca 0.00 -1.41 0.10 0.00 0.70 0.00 0.00 55.95 55.34 1iex s SER 59 Cb 0.00 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.72 1iex s SER 59 CO 0.00 -1.49 -0.23 0.68 1.20 0.00 0.00 173.24 173.40 1iex s VAL 60 N 4.78 2.17 0.34 4.45 -7.23 -1.26 -4.68 120.40 118.98 1iex s VAL 60 Ca 0.43 -1.95 0.03 0.00 -1.81 0.00 0.00 61.98 58.69 1iex s VAL 60 Cb -0.02 -2.01 0.28 0.00 0.56 0.00 0.00 36.38 35.20 1iex s VAL 60 CO -0.07 -0.14 1.97 1.55 -0.31 0.00 0.00 175.10 178.10 1iex h PRO 61 N 3.33 0.83 -2.31 4.82 0.13 -1.96 -3.45 132.00 133.40 1iex h PRO 61 Ca -0.46 -0.05 0.04 0.00 -0.87 0.00 0.00 66.00 64.66 1iex h PRO 61 Cb 1.20 -0.19 -0.16 0.00 0.13 0.00 0.00 31.00 31.98 1iex h PRO 61 CO 0.47 0.55 0.37 1.03 -0.23 0.00 0.00 178.00 180.20 1iex s ARG 62 N -5.74 0.95 0.16 0.86 0.52 -1.26 -5.06 118.95 109.38 1iex s ARG 62 Ca -0.10 -0.18 -0.30 0.00 -0.52 0.00 0.00 55.73 54.63 1iex s ARG 62 Cb 0.19 0.44 -0.08 0.00 0.52 0.00 0.00 34.95 36.02 1iex s ARG 62 CO 0.77 -0.38 1.24 0.15 0.02 0.00 0.00 175.30 177.10 1iex s LYS 63 N -2.62 4.45 -0.02 3.54 -0.14 -1.26 -2.51 119.74 121.18 1iex s LYS 63 Ca 0.00 1.91 0.00 0.00 -1.36 0.00 0.00 55.97 56.52 1iex s LYS 63 Cb -0.01 -3.25 0.00 0.00 -1.68 0.00 0.00 37.83 32.90 1iex s LYS 63 CO -0.05 -0.18 0.00 0.41 -0.76 0.00 0.00 175.35 174.77 1iex n GLY 64 N 2.49 0.39 3.70 -3.33 0.00 -1.26 -4.98 105.19 102.20 1iex n GLY 64 Ca 0.06 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1iex n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iex n ALA 65 N 1.00 1.44 -1.91 4.61 0.00 -1.04 -4.98 120.51 119.63 1iex n ALA 65 Ca -0.00 0.37 -0.29 0.00 0.00 0.00 0.00 53.44 53.52 1iex n ALA 65 Cb 0.12 -2.28 0.08 0.00 0.00 0.00 0.00 19.45 17.36 1iex n ALA 65 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1iex s THR 66 N -0.92 2.38 0.43 0.00 -4.23 -1.26 -4.59 115.64 107.45 1iex s THR 66 Ca 0.57 0.05 0.09 0.00 -1.18 0.00 0.00 61.69 61.22 1iex s THR 66 Cb -0.57 -3.11 0.27 0.00 1.34 0.00 0.00 72.50 70.44 1iex s THR 66 CO 0.60 -0.14 2.07 0.00 -0.54 0.00 0.00 174.62 176.62 1iex h ALA 67 N -0.88 1.77 -0.02 3.99 0.00 -1.90 -1.55 119.26 120.66 1iex h ALA 67 Ca -0.46 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.30 1iex h ALA 67 Cb 1.31 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1iex h ALA 67 CO 0.64 0.21 -0.61 0.87 0.00 0.00 0.00 179.25 180.37 1iex h LYS 68 N 0.46 0.08 -0.70 0.00 1.57 -1.93 -1.83 116.57 114.23 1iex h LYS 68 Ca 0.13 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1iex h LYS 68 Cb -0.04 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1iex h LYS 68 CO -0.03 0.67 0.15 0.93 -0.57 0.00 0.00 179.45 180.59 1iex h GLU 69 N 0.06 1.13 -0.51 3.15 5.08 -1.65 -0.75 114.58 121.09 1iex h GLU 69 Ca -0.01 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.04 1iex h GLU 69 Cb 1.09 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 1iex h GLU 69 CO 0.08 1.01 0.20 -1.49 -1.00 0.00 0.00 179.01 177.81 1iex h TRP 70 N 1.06 0.77 -0.82 4.33 4.06 -1.23 -1.67 115.95 122.45 1iex h TRP 70 Ca 0.22 -0.06 -0.01 0.00 2.06 0.00 0.00 58.89 61.10 1iex h TRP 70 Cb 0.40 -0.23 -0.04 0.00 -1.00 0.00 0.00 29.16 28.29 1iex h TRP 70 CO 0.03 0.64 0.46 1.96 -3.56 0.00 0.00 178.44 177.97 1iex h GLN 71 N 0.68 1.13 -0.52 0.49 4.20 -0.98 -1.57 115.11 118.55 1iex h GLN 71 Ca 0.17 -0.12 -0.10 0.00 0.06 0.00 0.00 58.65 58.65 1iex h GLN 71 Cb 0.20 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 1iex h GLN 71 CO -0.01 0.83 -0.07 -0.44 -0.67 0.00 0.00 178.83 178.46 1iex h ASP 72 N 1.13 0.93 0.01 1.46 3.32 -0.92 -1.30 116.42 121.06 1iex h ASP 72 Ca 0.29 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1iex h ASP 72 Cb 0.01 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.31 1iex h ASP 72 CO -0.05 1.03 -0.01 -0.03 -1.72 0.00 0.00 179.24 178.46 1iex h MET 73 N 0.85 -0.01 -0.73 3.56 4.05 -0.93 -1.05 114.93 120.67 1iex h MET 73 Ca 0.14 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.56 1iex h MET 73 Cb 0.60 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.37 1iex h MET 73 CO 0.04 0.15 0.44 0.28 0.23 0.00 0.00 176.91 178.05 1iex h VAL 74 N -0.17 1.20 -0.36 -5.77 2.07 -1.23 -2.42 116.25 109.57 1iex h VAL 74 Ca -0.00 -0.44 -0.08 0.00 0.82 0.00 0.00 66.70 67.00 1iex h VAL 74 Cb 0.17 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 1iex h VAL 74 CO 0.00 0.21 -0.10 0.44 0.02 0.00 0.00 177.57 178.14 1iex h ASP 75 N 0.99 0.59 -0.43 0.57 3.32 -1.15 -1.43 116.42 118.88 1iex h ASP 75 Ca 0.26 -0.16 0.02 0.00 0.02 0.00 0.00 57.03 57.17 1iex h ASP 75 Cb -0.04 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 1iex h ASP 75 CO -0.05 0.73 0.26 1.23 -1.72 0.00 0.00 179.24 179.69 1iex h GLY 76 N 0.95 0.60 1.00 2.75 0.00 -0.71 -0.16 103.07 107.51 1iex h GLY 76 Ca 0.10 -0.20 -0.08 0.00 0.00 0.00 0.00 47.33 47.16 1iex h GLY 76 CO 0.03 0.18 -0.02 0.74 0.00 0.00 0.00 176.54 177.47 1iex h PHE 77 N 0.53 0.92 -0.22 5.60 0.05 -1.23 -2.96 116.94 119.63 1iex h PHE 77 Ca 0.17 -0.17 -0.03 0.00 3.82 0.00 0.00 57.97 61.76 1iex h PHE 77 Cb -0.00 -0.24 -0.01 0.00 2.00 0.00 0.00 35.95 37.70 1iex h PHE 77 CO -0.07 0.88 -0.01 0.37 -0.18 0.00 0.00 178.31 179.31 1iex h GLN 78 N 0.69 0.32 -0.28 1.51 5.75 -0.91 -2.46 115.11 119.72 1iex h GLN 78 Ca 0.13 -0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.60 1iex h GLN 78 Cb 0.53 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.00 1iex h GLN 78 CO 0.03 0.35 0.14 -0.22 -2.65 0.00 0.00 178.83 176.48 1iex h LYS 79 N 0.31 0.29 -0.12 1.69 1.63 -0.86 -0.67 116.57 118.84 1iex h LYS 79 Ca 0.07 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1iex h LYS 79 Cb 0.22 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.78 1iex h LYS 79 CO 0.01 0.19 0.07 0.00 -3.45 0.00 0.00 179.45 176.27 1iex h ALA 80 N 1.14 0.15 -0.91 5.00 0.00 -1.43 -2.60 119.26 120.62 1iex h ALA 80 Ca 0.11 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1iex h ALA 80 Cb 0.03 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1iex h ALA 80 CO -0.08 -0.33 0.59 0.00 0.00 0.00 0.00 179.25 179.44 1iex n MET 82 N -4.49 0.19 -0.07 0.00 2.00 -0.28 -2.48 117.12 111.98 1iex n MET 82 Ca 0.11 0.40 0.10 0.00 0.00 0.00 0.00 57.70 58.31 1iex n MET 82 Cb 0.06 -1.85 0.39 0.00 0.00 0.00 0.00 33.22 31.82 1iex n MET 82 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1iex n SER 83 N -2.19 1.37 -4.86 7.83 3.41 -0.60 -4.43 113.62 114.15 1iex n SER 83 Ca 0.02 -1.68 -0.30 0.00 -0.26 0.00 0.00 58.87 56.65 1iex n SER 83 Cb 0.23 -0.09 0.07 0.00 -0.26 0.00 0.00 64.21 64.16 1iex n SER 83 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1iex s THR 84 N -1.81 2.97 0.20 6.66 -4.23 -1.04 -4.94 115.64 113.46 1iex s THR 84 Ca 0.30 0.32 -0.13 0.00 -1.18 0.00 0.00 61.69 61.01 1iex s THR 84 Cb 0.16 -3.24 0.19 0.00 1.34 0.00 0.00 72.50 70.95 1iex s THR 84 CO 0.24 -0.41 1.66 -0.09 -0.54 0.00 0.00 174.62 175.48 1iex h ARG 85 N -0.90 0.07 0.00 3.99 2.43 -1.90 -2.20 114.38 115.86 1iex h ARG 85 Ca -0.46 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1iex h ARG 85 Cb 1.28 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 1iex h ARG 85 CO 0.63 0.05 -0.71 -0.07 -1.51 0.00 0.00 179.97 178.36 1iex h LEU 86 N 0.07 0.00 -1.29 3.80 3.38 -1.93 -3.48 115.31 115.86 1iex h LEU 86 Ca 0.29 -0.14 -0.31 0.00 0.09 0.00 0.00 57.88 57.82 1iex h LEU 86 Cb 0.47 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.35 1iex h LEU 86 CO -0.53 0.07 -0.61 0.61 0.09 0.00 0.00 178.44 178.06 1iex n GLY 87 N 1.28 -0.27 3.62 0.83 0.00 -0.83 -4.97 105.19 104.84 1iex n GLY 87 Ca 0.02 0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1iex n GLY 87 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iex s ILE 88 N -3.29 4.84 0.52 -0.61 1.01 -1.26 -4.83 121.20 117.59 1iex s ILE 88 Ca 0.25 1.19 -0.21 0.00 0.00 0.00 0.00 60.65 61.88 1iex s ILE 88 Cb -0.11 -4.10 -0.06 0.00 0.01 0.00 0.00 42.46 38.20 1iex s ILE 88 CO 0.61 -0.18 1.16 -2.16 0.00 0.00 0.00 174.94 174.37 1iex s PRO 89 N 2.84 3.43 0.48 2.79 0.04 -1.26 -4.53 135.00 138.78 1iex s PRO 89 Ca 0.31 1.71 -0.03 0.00 0.04 0.00 0.00 61.00 63.03 1iex s PRO 89 Cb -0.15 -2.13 -0.02 0.00 0.04 0.00 0.00 34.50 32.25 1iex s PRO 89 CO 0.11 -0.81 0.74 0.00 0.04 0.00 0.00 177.00 177.08 1iex s MET 90 N -3.09 3.26 -0.11 4.56 0.23 -1.26 -4.97 119.30 117.91 1iex s MET 90 Ca 0.70 -0.12 0.02 0.00 -1.03 0.00 0.00 55.69 55.26 1iex s MET 90 Cb -0.27 -2.45 -0.01 0.00 -1.53 0.00 0.00 34.83 30.57 1iex s MET 90 CO 0.31 -0.28 -0.18 -1.50 -2.03 0.00 0.00 175.02 171.34 1iex s ILE 91 N -2.68 2.62 -0.24 3.16 2.07 -1.05 -4.99 121.20 120.09 1iex s ILE 91 Ca 0.48 -0.82 -0.09 0.00 -1.41 0.00 0.00 60.65 58.81 1iex s ILE 91 Cb -0.10 -2.06 -0.04 0.00 0.13 0.00 0.00 42.46 40.39 1iex s ILE 91 CO 0.42 0.54 0.11 -0.47 -1.91 0.00 0.00 174.94 173.63 1iex s TYR 92 N 0.30 3.19 0.18 3.50 5.04 -1.26 -2.25 117.35 126.05 1iex s TYR 92 Ca -0.13 -0.08 0.08 0.00 -2.44 0.00 0.00 57.07 54.49 1iex s TYR 92 Cb -0.17 -2.24 -0.04 0.00 0.35 0.00 0.00 41.96 39.86 1iex s TYR 92 CO 0.07 -0.13 -0.00 0.20 -1.34 0.00 0.00 175.55 174.34 1iex s GLY 93 N 1.29 1.72 0.12 8.97 0.00 -0.26 -2.25 107.32 116.90 1iex s GLY 93 Ca 0.06 -1.39 -0.21 0.00 0.00 0.00 0.00 44.72 43.17 1iex s GLY 93 CO 0.05 -1.41 0.53 -1.50 0.00 0.00 0.00 173.10 170.77 1iex s ILE 94 N -1.78 0.03 -0.94 0.90 2.07 -0.72 -2.47 121.20 118.29 1iex s ILE 94 Ca 0.28 -0.21 -0.20 0.00 -1.41 0.00 0.00 60.65 59.11 1iex s ILE 94 Cb -0.09 -1.05 0.11 0.00 0.13 0.00 0.00 42.46 41.56 1iex s ILE 94 CO 0.19 -0.12 1.20 -1.81 -1.91 0.00 0.00 174.94 172.49 1iex s ASP 95 N -2.58 6.58 -0.98 4.50 1.11 -1.26 -1.23 116.67 122.82 1iex s ASP 95 Ca 0.00 -1.86 -0.08 0.00 0.18 0.00 0.00 52.55 50.79 1iex s ASP 95 Cb -0.00 -2.44 0.25 0.00 1.07 0.00 0.00 42.92 41.79 1iex s ASP 95 CO -0.10 -1.19 0.93 0.00 1.18 0.00 0.00 175.17 175.99 1iex s ALA 96 N 3.32 4.43 -0.80 5.23 0.00 -1.26 -4.55 121.76 128.13 1iex s ALA 96 Ca 0.36 -3.70 0.23 0.00 0.00 0.00 0.00 51.96 48.84 1iex s ALA 96 Cb -0.04 -3.34 0.04 0.00 0.00 0.00 0.00 23.12 19.78 1iex s ALA 96 CO -0.09 -2.20 1.05 1.33 0.00 0.00 0.00 175.76 175.85 1iex n VAL 97 N 2.93 0.07 -2.74 0.00 0.24 -1.26 -4.53 118.33 113.03 1iex n VAL 97 Ca 0.20 -0.12 -0.09 0.00 -2.04 0.00 0.00 64.34 62.29 1iex n VAL 97 Cb 0.40 0.46 0.09 0.00 -1.47 0.00 0.00 33.84 33.32 1iex n VAL 97 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1iex n HIS 98 N -1.72 -2.80 0.00 6.34 1.44 -1.26 -4.80 115.22 112.42 1iex n HIS 98 Ca 0.03 -2.17 0.00 0.00 -2.01 0.00 0.00 57.72 53.57 1iex n HIS 98 Cb 0.39 1.59 0.00 0.00 0.12 0.00 0.00 29.99 32.08 1iex n HIS 98 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1iex n GLY 99 N 0.35 0.79 2.52 -1.39 0.00 -1.26 -1.57 105.19 104.63 1iex n GLY 99 Ca 0.06 -2.10 -0.39 0.00 0.00 0.00 0.00 46.02 43.58 1iex n GLY 99 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1iex n GLN 100 N 0.44 3.20 0.23 1.61 -0.06 -1.26 -4.49 117.38 117.04 1iex n GLN 100 Ca 0.00 -2.31 0.11 0.00 -2.00 0.00 0.00 57.00 52.80 1iex n GLN 100 Cb 0.00 -2.98 0.58 0.00 -4.06 0.00 0.00 30.24 23.77 1iex n GLN 100 CO 0.00 0.00 0.00 -2.95 -0.20 0.00 0.00 177.06 173.91 1iex h ASN 101 N 5.58 0.00 1.25 1.69 7.08 -1.81 -2.05 115.58 127.32 1iex h ASN 101 Ca 0.72 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.94 1iex h ASN 101 Cb 0.43 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.67 1iex h ASN 101 CO 1.82 0.00 -0.35 0.78 -2.08 0.00 0.00 177.43 177.60 1iex h ASN 102 N 0.00 0.00 -3.29 6.14 -0.26 -1.85 0.34 115.58 116.66 1iex h ASN 102 Ca 0.00 -0.09 -0.59 0.00 -0.56 0.00 0.00 56.30 55.07 1iex h ASN 102 Cb 0.52 0.00 -0.09 0.00 -1.06 0.00 0.00 38.32 37.68 1iex h ASN 102 CO 0.00 0.04 -0.27 -0.69 -1.06 0.00 0.00 177.43 175.45 1iex s VAL 103 N -3.17 5.27 0.21 2.81 1.01 -0.77 -4.56 120.40 121.20 1iex s VAL 103 Ca 0.07 0.67 -0.32 0.00 0.00 0.00 0.00 61.98 62.41 1iex s VAL 103 Cb 0.12 -3.69 -0.11 0.00 0.00 0.00 0.00 36.38 32.70 1iex s VAL 103 CO 0.67 0.38 1.66 -0.47 0.00 0.00 0.00 175.10 177.34 1iex s TYR 104 N 0.48 2.93 0.00 5.22 5.04 -1.26 -2.16 117.35 127.60 1iex s TYR 104 Ca 0.19 0.48 0.00 0.00 -2.44 0.00 0.00 57.07 55.31 1iex s TYR 104 Cb -0.14 -4.07 0.00 0.00 0.35 0.00 0.00 41.96 38.10 1iex s TYR 104 CO 0.06 -3.97 0.00 0.41 -1.34 0.00 0.00 175.55 170.71 1iex n GLY 105 N 3.65 0.88 3.82 8.97 0.00 -1.26 -4.92 105.19 116.32 1iex n GLY 105 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1iex n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iex s ALA 106 N -3.48 3.13 0.17 4.61 0.00 -0.92 -3.72 121.76 121.56 1iex s ALA 106 Ca 0.00 0.35 -0.31 0.00 0.00 0.00 0.00 51.96 51.99 1iex s ALA 106 Cb 0.00 -3.07 -0.10 0.00 0.00 0.00 0.00 23.12 19.95 1iex s ALA 106 CO 0.00 0.18 1.52 0.99 0.00 0.00 0.00 175.76 178.45 1iex s THR 107 N -2.03 2.75 -0.37 0.00 2.01 -1.26 -4.88 115.64 111.87 1iex s THR 107 Ca 0.58 0.55 -0.07 0.00 0.31 0.00 0.00 61.69 63.06 1iex s THR 107 Cb -0.11 -3.35 0.06 0.00 0.01 0.00 0.00 72.50 69.10 1iex s THR 107 CO 0.16 0.05 0.16 -0.63 -0.69 0.00 0.00 174.62 173.66 1iex s ILE 108 N 0.97 3.88 0.69 1.82 -1.09 -1.26 -4.11 121.20 122.11 1iex s ILE 108 Ca 0.67 -1.27 -0.11 0.00 -2.23 0.00 0.00 60.65 57.71 1iex s ILE 108 Cb -0.42 -3.28 0.01 0.00 -1.58 0.00 0.00 42.46 37.18 1iex s ILE 108 CO 0.33 -0.31 1.08 -0.36 -1.23 0.00 0.00 174.94 174.45 1iex s PHE 109 N 1.39 3.34 0.59 3.97 0.40 -0.61 -1.58 117.98 125.47 1iex s PHE 109 Ca 0.00 1.03 -0.19 0.00 -0.60 0.00 0.00 56.93 57.18 1iex s PHE 109 Cb -0.21 -3.03 -0.04 0.00 0.51 0.00 0.00 43.02 40.26 1iex s PHE 109 CO 0.02 -1.13 1.21 -2.14 0.70 0.00 0.00 175.22 173.89 1iex s PRO 110 N -5.32 2.98 0.81 0.24 0.02 -1.22 -4.46 135.00 128.04 1iex s PRO 110 Ca 0.58 1.84 -0.10 0.00 0.02 0.00 0.00 61.00 63.34 1iex s PRO 110 Cb -0.11 -1.94 0.08 0.00 0.02 0.00 0.00 34.50 32.55 1iex s PRO 110 CO 0.51 -1.20 1.10 -1.01 -0.33 0.00 0.00 177.00 176.07 1iex s HIS 111 N -1.58 2.34 0.31 6.54 3.76 -1.02 -4.75 115.29 120.90 1iex s HIS 111 Ca 0.77 1.59 0.08 0.00 -0.15 0.00 0.00 55.06 57.35 1iex s HIS 111 Cb -0.31 -3.12 0.85 0.00 1.11 0.00 0.00 32.58 31.11 1iex s HIS 111 CO 0.33 -2.07 1.71 -0.91 -0.85 0.00 0.00 174.74 172.96 1iex h ASN 112 N -1.33 0.56 -0.93 1.40 2.35 -1.85 -1.42 115.58 114.35 1iex h ASN 112 Ca -0.44 0.15 0.08 0.00 -0.55 0.00 0.00 56.30 55.53 1iex h ASN 112 Cb 1.24 0.07 -0.06 0.00 0.05 0.00 0.00 38.32 39.62 1iex h ASN 112 CO 0.49 0.05 0.60 1.62 -1.65 0.00 0.00 177.43 178.55 1iex h VAL 113 N 0.51 1.04 -0.33 2.81 3.04 -1.36 -0.87 116.25 121.09 1iex h VAL 113 Ca 0.62 -0.35 -0.15 0.00 -1.01 0.00 0.00 66.70 65.81 1iex h VAL 113 Cb 1.21 -0.08 -0.01 0.00 -2.01 0.00 0.00 31.29 30.40 1iex h VAL 113 CO -0.50 0.19 -0.40 1.23 -1.01 0.00 0.00 177.57 177.07 1iex h GLY 114 N 1.03 0.86 1.90 3.17 0.00 -1.57 -2.88 103.07 105.59 1iex h GLY 114 Ca 0.41 -0.88 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 1iex h GLY 114 CO -0.17 0.80 -0.05 1.41 0.00 0.00 0.00 176.54 178.53 1iex h LEU 115 N 0.65 0.12 -1.12 3.11 3.38 -1.00 -1.67 115.31 118.77 1iex h LEU 115 Ca 0.05 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 1iex h LEU 115 Cb 0.96 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1iex h LEU 115 CO 0.09 0.19 -0.35 1.23 0.09 0.00 0.00 178.44 179.69 1iex h GLY 116 N 0.42 0.17 2.00 0.83 0.00 -1.00 -2.53 103.07 102.96 1iex h GLY 116 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1iex h GLY 116 CO 0.01 0.13 0.00 0.00 0.00 0.00 0.00 176.54 176.68 1iex h ALA 117 N 1.50 1.00 0.00 3.60 0.00 -1.24 -2.67 119.26 121.45 1iex h ALA 117 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1iex h ALA 117 Cb 0.69 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1iex h ALA 117 CO 0.05 0.00 -0.31 1.79 0.00 0.00 0.00 179.25 180.79 1iex h THR 118 N 0.00 0.39 -3.88 0.00 1.35 -1.46 -2.06 112.91 107.26 1iex h THR 118 Ca 0.00 -1.56 -0.22 0.00 -0.55 0.00 0.00 66.41 64.08 1iex h THR 118 Cb 0.34 2.16 -0.01 0.00 -1.73 0.00 0.00 68.15 68.91 1iex h THR 118 CO 0.00 0.22 -0.28 0.54 -0.25 0.00 0.00 175.52 175.75 1iex n ARG 119 N -3.13 -2.28 -3.93 4.72 5.12 -1.01 -4.91 116.66 111.25 1iex n ARG 119 Ca 0.03 0.54 -0.32 0.00 -1.93 0.00 0.00 57.85 56.17 1iex n ARG 119 Cb 0.63 -5.11 -0.14 0.00 -1.16 0.00 0.00 32.46 26.68 1iex n ARG 119 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1iex s ASP 120 N -2.02 4.65 0.39 0.55 -1.08 -1.26 -4.96 116.67 112.93 1iex s ASP 120 Ca 0.00 -2.64 0.11 0.00 -0.52 0.00 0.00 52.55 49.50 1iex s ASP 120 Cb 0.00 -1.68 0.81 0.00 -1.46 0.00 0.00 42.92 40.59 1iex s ASP 120 CO 0.00 -0.32 1.91 -0.65 0.52 0.00 0.00 175.17 176.63 1iex h PRO 121 N 7.04 0.14 -0.55 4.34 0.11 -1.91 -2.85 132.00 138.33 1iex h PRO 121 Ca -0.06 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.91 1iex h PRO 121 Cb 0.95 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 1iex h PRO 121 CO 0.64 0.34 -0.07 -0.92 -0.21 0.00 0.00 178.00 177.78 1iex h TYR 122 N 0.14 1.11 -0.61 0.65 3.20 -1.93 -1.77 116.97 117.76 1iex h TYR 122 Ca 0.03 -0.21 0.00 0.00 3.14 0.00 0.00 58.73 61.69 1iex h TYR 122 Cb 0.42 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 1iex h TYR 122 CO 0.00 1.02 0.39 1.25 -1.64 0.00 0.00 178.16 179.18 1iex h LEU 123 N 0.91 0.72 -1.19 2.82 5.85 -1.94 -1.78 115.31 120.70 1iex h LEU 123 Ca 0.15 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 1iex h LEU 123 Cb 0.62 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1iex h LEU 123 CO 0.04 0.54 -0.31 0.58 -0.34 0.00 0.00 178.44 178.95 1iex h VAL 124 N 0.83 1.26 -0.49 1.05 2.07 -1.34 -1.45 116.25 118.18 1iex h VAL 124 Ca 0.22 -1.21 -0.12 0.00 0.82 0.00 0.00 66.70 66.41 1iex h VAL 124 Cb -0.06 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1iex h VAL 124 CO -0.05 0.36 -0.17 0.50 0.02 0.00 0.00 177.57 178.23 1iex h LYS 125 N 0.14 0.97 -0.40 1.57 3.64 -0.79 -1.60 116.57 120.09 1iex h LYS 125 Ca 0.02 -0.38 -0.10 0.00 -1.27 0.00 0.00 60.65 58.91 1iex h LYS 125 Cb 0.63 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 1iex h LYS 125 CO 0.05 1.05 -0.17 0.00 -2.27 0.00 0.00 179.45 178.11 1iex h ARG 126 N 0.85 0.75 -0.57 1.90 3.08 -0.82 -1.88 114.38 117.70 1iex h ARG 126 Ca 0.12 -0.28 -0.05 0.00 0.07 0.00 0.00 59.98 59.84 1iex h ARG 126 Cb 0.73 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.71 1iex h ARG 126 CO 0.06 0.87 0.15 0.82 -1.07 0.00 0.00 179.97 180.80 1iex h ILE 127 N 0.67 1.23 -0.68 2.04 2.04 -1.04 -1.39 117.51 120.38 1iex h ILE 127 Ca 0.10 -0.82 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 1iex h ILE 127 Cb 0.66 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 1iex h ILE 127 CO 0.05 0.31 0.33 1.23 0.00 0.00 0.00 178.15 180.06 1iex h GLY 128 N 0.99 1.05 0.99 5.37 0.00 -0.72 0.92 103.07 111.67 1iex h GLY 128 Ca 0.18 -0.52 -0.05 0.00 0.00 0.00 0.00 47.33 46.94 1iex h GLY 128 CO -0.00 0.50 0.14 0.83 0.00 0.00 0.00 176.54 178.00 1iex h GLU 129 N 0.95 0.86 -0.58 4.80 5.08 -0.78 -1.71 114.58 123.20 1iex h GLU 129 Ca 0.23 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 1iex h GLU 129 Cb 0.12 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1iex h GLU 129 CO -0.03 0.81 -0.04 0.00 -1.00 0.00 0.00 179.01 178.75 1iex h ALA 130 N 1.01 0.79 -0.76 3.43 0.00 -1.01 -2.72 119.26 120.00 1iex h ALA 130 Ca 0.17 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1iex h ALA 130 Cb 0.33 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1iex h ALA 130 CO 0.00 0.66 0.34 1.15 0.00 0.00 0.00 179.25 181.40 1iex h THR 131 N 0.95 1.25 -0.51 0.00 2.02 -0.64 -1.99 112.91 113.99 1iex h THR 131 Ca 0.16 -0.72 -0.01 0.00 0.77 0.00 0.00 66.41 66.60 1iex h THR 131 Cb 0.60 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 1iex h THR 131 CO 0.04 0.30 0.27 0.00 0.37 0.00 0.00 175.52 176.50 1iex h ALA 132 N 1.17 0.65 -0.87 6.16 0.00 -1.18 -0.68 119.26 124.51 1iex h ALA 132 Ca 0.26 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1iex h ALA 132 Cb 0.15 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1iex h ALA 132 CO -0.03 0.18 0.45 -0.07 0.00 0.00 0.00 179.25 179.78 1iex h LEU 133 N 0.67 1.12 -0.90 0.00 3.38 -1.21 -0.63 115.31 117.74 1iex h LEU 133 Ca 0.18 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1iex h LEU 133 Cb 0.07 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1iex h LEU 133 CO -0.03 0.92 -0.36 -0.33 0.09 0.00 0.00 178.44 178.74 1iex h GLU 134 N 1.23 0.00 0.04 1.13 5.08 -1.01 -1.11 114.58 119.94 1iex h GLU 134 Ca 0.30 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.42 1iex h GLU 134 Cb 0.08 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.35 1iex h GLU 134 CO -0.04 0.36 -0.96 0.28 -1.00 0.00 0.00 179.01 177.64 1iex h VAL 135 N 0.00 1.33 0.00 3.13 2.07 -0.69 -3.11 116.25 118.98 1iex h VAL 135 Ca -0.00 -2.27 -0.02 0.00 0.82 0.00 0.00 66.70 65.22 1iex h VAL 135 Cb 0.90 2.57 -0.00 0.00 -1.52 0.00 0.00 31.29 33.24 1iex h VAL 135 CO 0.05 0.69 -0.11 0.03 0.02 0.00 0.00 177.57 178.24 1iex h ARG 136 N 0.18 0.00 0.00 1.57 2.47 -0.99 -2.05 114.38 115.57 1iex h ARG 136 Ca -0.13 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.57 1iex h ARG 136 Cb 1.65 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.96 1iex h ARG 136 CO 0.19 0.11 -0.10 0.00 0.56 0.00 0.00 179.97 180.73 1iex h ALA 137 N 1.89 1.45 -0.62 0.04 0.00 -1.13 -1.79 119.26 119.10 1iex h ALA 137 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1iex h ALA 137 Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1iex h ALA 137 CO 0.01 0.12 0.00 0.25 0.00 0.00 0.00 179.25 179.64 1iex n THR 138 N -3.85 1.27 -0.93 0.00 -2.24 -0.79 -4.17 114.28 103.57 1iex n THR 138 Ca -0.02 -1.09 0.00 0.00 -2.27 0.00 0.00 64.05 60.67 1iex n THR 138 Cb 0.20 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 1iex n THR 138 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iex n GLY 139 N 1.20 0.99 3.82 3.38 0.00 -0.67 -3.38 105.19 110.53 1iex n GLY 139 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 1iex n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iex s ILE 140 N -3.87 4.66 -0.39 -0.61 1.01 -1.10 -4.80 121.20 116.09 1iex s ILE 140 Ca 0.00 1.19 0.03 0.00 0.00 0.00 0.00 60.65 61.88 1iex s ILE 140 Cb 0.00 -3.86 0.04 0.00 0.01 0.00 0.00 42.46 38.64 1iex s ILE 140 CO 0.00 0.32 0.68 0.00 0.00 0.00 0.00 174.94 175.94 1iex n GLN 141 N 1.04 0.03 -3.77 2.79 3.00 -1.20 -3.73 117.38 115.53 1iex n GLN 141 Ca -0.05 -0.85 -0.17 0.00 -0.01 0.00 0.00 57.00 55.91 1iex n GLN 141 Cb 0.51 -1.07 -0.17 0.00 0.00 0.00 0.00 30.24 29.52 1iex n GLN 141 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.06 176.59 1iex s TYR 142 N -0.39 0.13 -0.11 1.08 6.04 -0.96 -1.43 117.35 121.71 1iex s TYR 142 Ca 0.04 0.13 0.01 0.00 0.04 0.00 0.00 57.07 57.29 1iex s TYR 142 Cb 0.03 -0.38 -0.01 0.00 -1.04 0.00 0.00 41.96 40.55 1iex s TYR 142 CO 0.04 -0.14 -0.15 0.00 -1.54 0.00 0.00 175.55 173.76 1iex s ALA 143 N 1.46 2.54 -1.58 3.97 0.00 -0.62 -1.75 121.76 125.79 1iex s ALA 143 Ca -0.04 -0.91 -0.10 0.00 0.00 0.00 0.00 51.96 50.91 1iex s ALA 143 Cb -0.13 -1.11 -0.05 0.00 0.00 0.00 0.00 23.12 21.83 1iex s ALA 143 CO -0.03 0.29 2.81 1.19 0.00 0.00 0.00 175.76 180.02 1iex n PHE 144 N 3.39 2.58 -3.73 0.00 0.99 -0.36 -3.06 117.46 117.27 1iex n PHE 144 Ca -0.18 -3.06 -0.10 0.00 -0.00 0.00 0.00 57.45 54.11 1iex n PHE 144 Cb 0.53 -2.44 -0.06 0.00 -1.00 0.00 0.00 39.48 36.51 1iex n PHE 144 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1iex s ALA 145 N 1.97 -0.68 0.29 4.37 0.00 -1.18 -4.73 121.76 121.80 1iex s ALA 145 Ca 0.65 -0.16 -0.06 0.00 0.00 0.00 0.00 51.96 52.40 1iex s ALA 145 Cb 0.17 0.50 -0.05 0.00 0.00 0.00 0.00 23.12 23.74 1iex s ALA 145 CO -0.07 -0.53 0.56 -1.25 0.00 0.00 0.00 175.76 174.48 1iex s PRO 146 N -3.36 3.65 -0.38 0.00 0.04 -1.03 0.47 135.00 134.40 1iex s PRO 146 Ca 0.01 0.05 -0.25 0.00 0.04 0.00 0.00 61.00 60.85 1iex s PRO 146 Cb 0.02 -2.64 0.02 0.00 0.04 0.00 0.00 34.50 31.94 1iex s PRO 146 CO -0.09 0.21 0.88 0.00 0.04 0.00 0.00 177.00 178.05 1iex n ILE 148 N 5.99 3.23 -2.05 0.00 -5.35 0.42 -4.72 119.36 116.88 1iex n ILE 148 Ca 0.06 -3.29 -0.33 0.00 -0.27 0.00 0.00 62.75 58.91 1iex n ILE 148 Cb 0.48 -1.10 0.01 0.00 -1.74 0.00 0.00 39.64 37.30 1iex n ILE 148 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1iex s ALA 149 N -3.72 2.70 -0.58 -1.28 0.00 -1.25 -4.90 121.76 112.74 1iex s ALA 149 Ca 0.59 0.47 -0.00 0.00 0.00 0.00 0.00 51.96 53.02 1iex s ALA 149 Cb 0.47 -3.26 0.15 0.00 0.00 0.00 0.00 23.12 20.48 1iex s ALA 149 CO 0.01 -0.84 0.36 0.08 0.00 0.00 0.00 175.76 175.37 1iex s VAL 150 N -2.34 3.30 -0.06 0.00 1.01 -1.26 -4.38 120.40 116.66 1iex s VAL 150 Ca 0.65 -3.03 -0.29 0.00 0.00 0.00 0.00 61.98 59.31 1iex s VAL 150 Cb -0.17 -3.20 -0.07 0.00 0.00 0.00 0.00 36.38 32.94 1iex s VAL 150 CO 0.35 -0.84 1.89 0.00 0.00 0.00 0.00 175.10 176.51 1iex n ARG 152 N 7.68 1.38 -3.38 0.00 1.74 0.01 -4.15 116.66 119.93 1iex n ARG 152 Ca 0.21 -1.48 -0.11 0.00 -0.77 0.00 0.00 57.85 55.71 1iex n ARG 152 Cb 0.43 -1.32 -0.09 0.00 -1.02 0.00 0.00 32.46 30.46 1iex n ARG 152 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1iex s ASP 153 N -1.44 0.40 0.03 0.55 3.68 -1.26 -4.53 116.67 114.10 1iex s ASP 153 Ca 0.20 0.18 0.02 0.00 2.13 0.00 0.00 52.55 55.08 1iex s ASP 153 Cb 0.14 1.01 0.11 0.00 -1.45 0.00 0.00 42.92 42.73 1iex s ASP 153 CO 0.22 -0.30 1.01 -0.81 0.13 0.00 0.00 175.17 175.42 1iex n PRO 154 N 5.36 0.01 0.03 4.34 -0.04 -1.26 -1.87 135.00 141.56 1iex n PRO 154 Ca -0.04 0.46 0.10 0.00 -0.04 0.00 0.00 63.50 63.98 1iex n PRO 154 Cb 0.50 -1.60 0.42 0.00 -0.04 0.00 0.00 33.50 32.78 1iex n PRO 154 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1iex n ARG 155 N -1.52 0.04 -2.36 0.54 1.74 -1.26 -4.75 116.66 109.10 1iex n ARG 155 Ca -0.00 0.21 -0.42 0.00 -0.77 0.00 0.00 57.85 56.87 1iex n ARG 155 Cb 0.06 -1.57 -0.03 0.00 -1.02 0.00 0.00 32.46 29.90 1iex n ARG 155 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 1iex s TRP 156 N -3.05 3.39 -0.36 -1.55 -0.00 -0.78 -1.87 118.94 114.71 1iex s TRP 156 Ca 0.09 1.21 0.19 0.00 -0.00 0.00 0.00 56.10 57.58 1iex s TRP 156 Cb 0.12 -3.49 0.98 0.00 -0.00 0.00 0.00 33.47 31.08 1iex s TRP 156 CO 0.37 -1.56 1.57 0.41 -0.00 0.00 0.00 176.95 177.74 1iex n GLY 157 N 3.27 -0.86 0.61 5.86 0.00 -1.25 -2.09 105.19 110.72 1iex n GLY 157 Ca 0.09 0.16 0.07 0.00 0.00 0.00 0.00 46.02 46.34 1iex n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iex n ARG 158 N -2.13 2.63 0.22 1.61 1.74 -1.26 -4.00 116.66 115.46 1iex n ARG 158 Ca -0.01 -2.49 0.09 0.00 -0.77 0.00 0.00 57.85 54.67 1iex n ARG 158 Cb 0.05 -1.58 0.63 0.00 -1.02 0.00 0.00 32.46 30.55 1iex n ARG 158 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iex h TYR 160 N 0.03 0.00 -0.01 0.00 -0.00 -1.82 -1.39 116.97 113.79 1iex h TYR 160 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.76 1iex h TYR 160 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.82 1iex h TYR 160 CO -0.00 0.00 -0.00 0.39 -0.00 0.00 0.00 178.16 178.55 1iex n GLU 161 N -2.50 1.35 -4.10 0.10 1.02 -0.28 -2.04 120.64 114.20 1iex n GLU 161 Ca 0.02 -0.52 -0.35 0.00 -0.02 0.00 0.00 57.16 56.29 1iex n GLU 161 Cb 0.25 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 30.08 1iex n GLU 161 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1iex s SER 162 N -2.01 5.55 0.42 1.62 0.15 -0.52 -4.67 113.70 114.23 1iex s SER 162 Ca 0.42 0.11 0.15 0.00 0.70 0.00 0.00 55.95 57.33 1iex s SER 162 Cb 0.21 -1.87 0.91 0.00 -1.71 0.00 0.00 66.02 63.57 1iex s SER 162 CO 0.35 0.24 1.92 1.88 1.20 0.00 0.00 173.24 178.83 1iex h TYR 163 N 6.23 0.00 -1.24 3.44 -1.99 -1.76 -3.13 116.97 118.51 1iex h TYR 163 Ca -0.41 0.00 0.35 0.00 2.00 0.00 0.00 58.73 60.67 1iex h TYR 163 Cb 1.18 0.00 -0.14 0.00 2.00 0.00 0.00 36.73 39.77 1iex h TYR 163 CO 0.59 0.27 0.91 0.45 -0.00 0.00 0.00 178.16 180.37 1iex s SER 164 N -6.87 -0.04 0.09 3.88 0.15 -1.26 -4.18 113.70 105.46 1iex s SER 164 Ca -0.03 -0.06 0.25 0.00 0.70 0.00 0.00 55.95 56.80 1iex s SER 164 Cb 0.15 0.09 0.44 0.00 -1.71 0.00 0.00 66.02 64.98 1iex s SER 164 CO 0.70 -0.16 1.39 -1.84 1.20 0.00 0.00 173.24 174.53 1iex n GLU 165 N -0.42 0.22 -3.44 5.44 0.28 -1.20 -3.74 120.64 117.77 1iex n GLU 165 Ca -0.07 0.07 -0.42 0.00 -0.16 0.00 0.00 57.16 56.58 1iex n GLU 165 Cb 0.62 -1.64 -0.10 0.00 1.43 0.00 0.00 31.44 31.75 1iex n GLU 165 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1iex s ASP 166 N -3.92 6.13 0.46 -1.84 -1.08 -1.26 -4.88 116.67 110.28 1iex s ASP 166 Ca 0.08 -0.53 0.31 0.00 -0.52 0.00 0.00 52.55 51.89 1iex s ASP 166 Cb 0.14 -2.18 1.70 0.00 -1.46 0.00 0.00 42.92 41.12 1iex s ASP 166 CO 0.70 -0.38 1.96 0.08 0.52 0.00 0.00 175.17 178.04 1iex h ARG 167 N 8.56 0.00 -0.36 4.34 -0.00 -1.85 -1.74 114.38 123.33 1iex h ARG 167 Ca -0.29 0.00 -0.13 0.00 -0.00 0.00 0.00 59.98 59.56 1iex h ARG 167 Cb 1.14 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.09 1iex h ARG 167 CO 0.71 0.00 -0.31 0.00 -0.00 0.00 0.00 179.97 180.37 1iex h ARG 168 N 0.00 0.79 -0.17 0.08 3.08 -1.94 -1.37 114.38 114.85 1iex h ARG 168 Ca 0.00 -0.37 -0.18 0.00 0.07 0.00 0.00 59.98 59.51 1iex h ARG 168 Cb 0.00 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.04 1iex h ARG 168 CO 0.00 0.99 -0.58 0.82 -1.07 0.00 0.00 179.97 180.13 1iex h ILE 169 N 0.67 1.31 -0.92 2.04 2.04 -1.73 -2.84 117.51 118.08 1iex h ILE 169 Ca 0.07 -1.82 0.04 0.00 1.00 0.00 0.00 64.86 64.16 1iex h ILE 169 Cb 0.85 1.96 -0.05 0.00 -0.74 0.00 0.00 36.82 38.84 1iex h ILE 169 CO 0.07 0.57 0.60 0.58 0.00 0.00 0.00 178.15 179.98 1iex h VAL 170 N 0.39 1.14 -0.52 1.67 2.07 -1.43 -1.64 116.25 117.92 1iex h VAL 170 Ca -0.02 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 1iex h VAL 170 Cb 1.20 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1iex h VAL 170 CO 0.12 0.21 0.17 1.56 0.02 0.00 0.00 177.57 179.65 1iex h GLN 171 N 1.14 0.80 0.00 1.57 4.20 -1.18 -2.56 115.11 119.08 1iex h GLN 171 Ca 0.37 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.88 1iex h GLN 171 Cb 0.05 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 1iex h GLN 171 CO -0.12 0.73 -0.16 0.66 -0.67 0.00 0.00 178.83 179.28 1iex h SER 172 N 0.71 0.00 0.10 1.46 4.64 -1.17 -2.51 113.55 116.78 1iex h SER 172 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1iex h SER 172 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1iex h SER 172 CO -0.01 0.16 -0.00 0.23 -0.87 0.00 0.00 176.83 176.34 1iex n MET 173 N -3.40 0.94 0.00 4.77 2.81 -0.67 -3.47 117.12 118.11 1iex n MET 173 Ca -0.00 -0.07 0.08 0.00 -1.81 0.00 0.00 57.70 55.89 1iex n MET 173 Cb 0.35 -1.50 0.47 0.00 -0.71 0.00 0.00 33.22 31.83 1iex n MET 173 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1iex n THR 174 N -0.96 0.16 0.12 2.03 -2.24 -0.95 -2.64 114.28 109.80 1iex n THR 174 Ca 0.22 0.04 0.02 0.00 -2.27 0.00 0.00 64.05 62.06 1iex n THR 174 Cb 0.15 -0.78 0.10 0.00 -2.10 0.00 0.00 70.33 67.70 1iex n THR 174 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1iex n GLU 175 N -1.08 0.01 -0.08 -0.78 -0.58 -1.23 -1.28 120.64 115.61 1iex n GLU 175 Ca 0.11 0.45 -0.04 0.00 -0.42 0.00 0.00 57.16 57.27 1iex n GLU 175 Cb 0.08 -1.52 0.19 0.00 -0.57 0.00 0.00 31.44 29.61 1iex n GLU 175 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1iex h LEU 176 N 0.00 0.69 0.27 -4.62 5.85 -1.73 -3.09 115.31 112.68 1iex h LEU 176 Ca 0.00 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1iex h LEU 176 Cb 0.06 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1iex h LEU 176 CO 0.00 0.77 -0.30 0.40 -0.34 0.00 0.00 178.44 178.98 1iex h ILE 177 N 0.68 0.38 0.00 4.05 2.04 -1.47 -0.32 117.51 122.86 1iex h ILE 177 Ca 0.13 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.99 1iex h ILE 177 Cb 0.44 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1iex h ILE 177 CO 0.02 0.00 0.00 1.55 0.00 0.00 0.00 178.15 179.72 1iex h PRO 178 N -0.61 0.00 0.03 2.37 0.13 -1.73 0.82 132.00 133.00 1iex h PRO 178 Ca -0.01 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.91 1iex h PRO 178 Cb 0.57 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.71 1iex h PRO 178 CO -0.08 0.00 -0.86 0.78 -0.23 0.00 0.00 178.00 177.61 1iex h GLY 179 N 0.89 0.60 1.06 1.56 0.00 -1.23 0.21 103.07 106.17 1iex h GLY 179 Ca 0.00 -1.11 -0.19 0.00 0.00 0.00 0.00 47.33 46.03 1iex h GLY 179 CO 0.00 0.98 -0.65 1.41 0.00 0.00 0.00 176.54 178.28 1iex h LEU 180 N 0.11 0.83 0.00 3.11 3.38 -0.21 -3.05 115.31 119.48 1iex h LEU 180 Ca -0.12 -0.62 -0.05 0.00 0.09 0.00 0.00 57.88 57.19 1iex h LEU 180 Cb 1.56 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 1iex h LEU 180 CO 0.17 1.32 -2.05 0.00 0.09 0.00 0.00 178.44 177.97 1iex n GLN 181 N -4.06 0.66 0.00 1.13 6.02 0.20 -1.56 117.38 119.77 1iex n GLN 181 Ca -0.07 -0.18 0.00 0.00 -0.01 0.00 0.00 57.00 56.74 1iex n GLN 181 Cb 0.68 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 30.42 1iex n GLN 181 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1iex n GLY 182 N 1.32 2.43 3.76 1.08 0.00 0.74 -0.93 105.19 113.60 1iex n GLY 182 Ca -0.08 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 1iex n GLY 182 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iex s ASP 183 N 0.00 7.01 0.40 1.61 1.01 -1.23 -4.59 116.67 120.88 1iex s ASP 183 Ca 0.00 2.48 -0.24 0.00 0.71 0.00 0.00 52.55 55.51 1iex s ASP 183 Cb 0.00 -2.64 -0.09 0.00 1.01 0.00 0.00 42.92 41.20 1iex s ASP 183 CO 0.00 -0.35 1.03 0.68 0.21 0.00 0.00 175.17 176.74 1iex s VAL 184 N -1.10 3.80 1.22 -1.27 -7.23 -1.26 -4.96 120.40 109.60 1iex s VAL 184 Ca 0.47 1.35 -0.14 0.00 -1.81 0.00 0.00 61.98 61.85 1iex s VAL 184 Cb -0.36 -3.68 0.31 0.00 0.56 0.00 0.00 36.38 33.20 1iex s VAL 184 CO 0.47 -0.02 1.01 -2.84 -0.31 0.00 0.00 175.10 173.41 1iex s PRO 185 N -2.55 -1.38 0.28 4.82 0.02 -1.26 -4.91 135.00 130.02 1iex s PRO 185 Ca 0.58 0.70 0.13 0.00 0.02 0.00 0.00 61.00 62.44 1iex s PRO 185 Cb -0.21 -1.51 0.34 0.00 0.02 0.00 0.00 34.50 33.14 1iex s PRO 185 CO 0.26 -4.00 1.58 -0.22 -0.33 0.00 0.00 177.00 174.29 1iex h LYS 186 N -2.81 0.00 -0.11 5.54 1.63 -2.05 -2.83 116.57 115.94 1iex h LYS 186 Ca -0.60 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.20 1iex h LYS 186 Cb 1.34 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.97 1iex h LYS 186 CO 0.48 0.59 0.00 -0.40 -3.45 0.00 0.00 179.45 176.66 1iex n ASP 187 N -3.58 0.64 -4.75 4.20 5.68 -1.26 -4.94 116.55 112.54 1iex n ASP 187 Ca -0.00 -1.88 -0.41 0.00 -0.50 0.00 0.00 54.79 52.00 1iex n ASP 187 Cb 0.65 -0.07 -0.01 0.00 -1.14 0.00 0.00 41.12 40.54 1iex n ASP 187 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 1iex s PHE 188 N -1.86 2.74 -0.32 2.11 5.36 -1.07 -5.00 117.98 119.94 1iex s PHE 188 Ca 0.14 0.85 -0.08 0.00 -0.96 0.00 0.00 56.93 56.88 1iex s PHE 188 Cb 0.07 -4.05 0.01 0.00 -0.34 0.00 0.00 43.02 38.71 1iex s PHE 188 CO 0.10 -3.45 0.13 0.99 -1.46 0.00 0.00 175.22 171.53 1iex s THR 189 N -0.18 4.27 -0.05 0.12 2.01 -1.26 -5.06 115.64 115.49 1iex s THR 189 Ca 0.61 -0.68 -0.40 0.00 0.31 0.00 0.00 61.69 61.54 1iex s THR 189 Cb -0.47 -3.25 -0.18 0.00 0.01 0.00 0.00 72.50 68.61 1iex s THR 189 CO 0.50 -0.01 1.30 -0.24 -0.69 0.00 0.00 174.62 175.48 1iex n SER 190 N 4.92 1.00 0.00 3.53 2.88 -1.26 -1.75 113.62 122.95 1iex n SER 190 Ca -0.14 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 1iex n SER 190 Cb 0.48 -1.04 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 1iex n SER 190 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1iex n GLY 191 N 2.44 2.90 3.78 0.46 0.00 -0.61 -4.88 105.19 109.28 1iex n GLY 191 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 1iex n GLY 191 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1iex s MET 192 N -0.55 4.23 0.39 1.61 1.00 -0.71 -0.60 119.30 124.68 1iex s MET 192 Ca 0.00 1.48 -0.22 0.00 0.00 0.00 0.00 55.69 56.96 1iex s MET 192 Cb 0.00 -2.58 -0.11 0.00 0.00 0.00 0.00 34.83 32.15 1iex s MET 192 CO 0.00 -0.07 0.93 -1.25 0.00 0.00 0.00 175.02 174.62 1iex s PRO 193 N -2.44 4.30 -0.16 2.03 0.04 -1.26 -4.23 135.00 133.28 1iex s PRO 193 Ca 0.57 1.13 -0.15 0.00 0.04 0.00 0.00 61.00 62.59 1iex s PRO 193 Cb -0.21 -2.36 0.04 0.00 0.04 0.00 0.00 34.50 32.01 1iex s PRO 193 CO 0.27 0.06 0.43 0.12 0.04 0.00 0.00 177.00 177.92 1iex s PHE 194 N -2.02 -0.47 -0.15 0.56 5.36 -0.81 -4.98 117.98 115.47 1iex s PHE 194 Ca 0.58 1.14 -0.07 0.00 -0.96 0.00 0.00 56.93 57.63 1iex s PHE 194 Cb -0.11 0.16 0.06 0.00 -0.34 0.00 0.00 43.02 42.79 1iex s PHE 194 CO 0.16 -0.23 0.34 0.08 -1.46 0.00 0.00 175.22 174.11 1iex s VAL 195 N 0.21 -0.15 0.03 3.12 1.01 -1.26 -4.61 120.40 118.75 1iex s VAL 195 Ca -0.00 0.14 -0.23 0.00 0.00 0.00 0.00 61.98 61.90 1iex s VAL 195 Cb -0.03 -0.52 -0.15 0.00 0.00 0.00 0.00 36.38 35.68 1iex s VAL 195 CO 0.01 0.06 1.42 0.00 0.00 0.00 0.00 175.10 176.58 1iex h ALA 196 N 7.42 0.13 -3.00 5.51 0.00 -1.35 -3.41 119.26 124.55 1iex h ALA 196 Ca -0.33 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1iex h ALA 196 Cb 1.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1iex h ALA 196 CO 0.28 -0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.80 1iex n GLY 197 N -0.12 1.27 0.00 0.00 0.00 -1.26 -4.99 105.19 100.09 1iex n GLY 197 Ca -0.06 -0.48 0.09 0.00 0.00 0.00 0.00 46.02 45.57 1iex n GLY 197 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1iex n LYS 198 N 0.00 0.21 -0.53 1.61 2.85 -1.26 -2.43 118.16 118.60 1iex n LYS 198 Ca 0.00 0.13 0.05 0.00 -1.05 0.00 0.00 58.31 57.44 1iex n LYS 198 Cb 0.00 -1.50 0.24 0.00 -0.65 0.00 0.00 35.03 33.12 1iex n LYS 198 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1iex n ASN 199 N -1.33 3.44 -4.33 -5.58 0.23 -1.26 -4.97 115.26 101.46 1iex n ASN 199 Ca 0.08 -3.23 -0.17 0.00 -0.53 0.00 0.00 54.58 50.73 1iex n ASN 199 Cb 0.16 -0.57 -0.10 0.00 -2.08 0.00 0.00 39.78 37.19 1iex n ASN 199 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1iex s LYS 200 N -2.95 1.33 0.11 -3.83 -0.14 -1.02 -4.37 119.74 108.87 1iex s LYS 200 Ca 0.43 -1.67 0.03 0.00 -1.36 0.00 0.00 55.97 53.40 1iex s LYS 200 Cb 0.36 -0.60 -0.04 0.00 -1.68 0.00 0.00 37.83 35.87 1iex s LYS 200 CO 0.06 -0.10 -0.09 0.14 -0.76 0.00 0.00 175.35 174.61 1iex s VAL 201 N -3.43 0.92 0.26 3.17 -7.23 -0.60 -4.80 120.40 108.67 1iex s VAL 201 Ca 0.28 -1.89 -0.30 0.00 -1.81 0.00 0.00 61.98 58.26 1iex s VAL 201 Cb 0.06 -1.64 -0.09 0.00 0.56 0.00 0.00 36.38 35.26 1iex s VAL 201 CO 0.08 -0.75 1.07 0.00 -0.31 0.00 0.00 175.10 175.20 1iex s ALA 202 N -3.20 3.39 0.53 1.32 0.00 -0.51 -3.80 121.76 119.49 1iex s ALA 202 Ca 0.12 0.84 0.09 0.00 0.00 0.00 0.00 51.96 53.00 1iex s ALA 202 Cb 0.02 -3.31 0.06 0.00 0.00 0.00 0.00 23.12 19.89 1iex s ALA 202 CO -0.02 -0.11 0.66 0.00 0.00 0.00 0.00 175.76 176.30 1iex s ALA 203 N -1.00 4.59 -0.23 0.00 0.00 -1.26 -1.59 121.76 122.27 1iex s ALA 203 Ca 0.45 -1.90 -0.04 0.00 0.00 0.00 0.00 51.96 50.47 1iex s ALA 203 Cb -0.31 -1.33 0.13 0.00 0.00 0.00 0.00 23.12 21.61 1iex s ALA 203 CO 0.39 -0.65 0.40 0.00 0.00 0.00 0.00 175.76 175.89 1iex s ALA 205 N 2.58 3.31 0.05 0.00 0.00 -1.05 -2.45 121.76 124.20 1iex s ALA 205 Ca 0.10 0.44 -0.05 0.00 0.00 0.00 0.00 51.96 52.45 1iex s ALA 205 Cb -0.15 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 1iex s ALA 205 CO -0.15 -0.46 0.08 -1.59 0.00 0.00 0.00 175.76 173.63 1iex s LYS 206 N 1.63 0.62 -0.15 0.00 -2.85 -0.91 -1.85 119.74 116.24 1iex s LYS 206 Ca 0.50 -0.88 -0.00 0.00 -1.00 0.00 0.00 55.97 54.59 1iex s LYS 206 Cb -0.19 0.24 -0.01 0.00 -2.06 0.00 0.00 37.83 35.81 1iex s LYS 206 CO 0.22 -0.15 -0.13 -1.01 0.10 0.00 0.00 175.35 174.37 1iex s HIS 207 N -3.03 2.81 -0.27 1.78 0.09 -1.26 -0.44 115.29 114.97 1iex s HIS 207 Ca -0.01 -0.80 -0.29 0.00 -0.00 0.00 0.00 55.06 53.96 1iex s HIS 207 Cb 0.01 -1.88 -0.01 0.00 -0.00 0.00 0.00 32.58 30.70 1iex s HIS 207 CO -0.07 -0.33 1.47 0.12 -0.00 0.00 0.00 174.74 175.94 1iex s PHE 208 N 0.60 2.37 0.02 1.40 5.36 -0.11 -4.04 117.98 123.58 1iex s PHE 208 Ca -0.08 0.70 -0.14 0.00 -0.96 0.00 0.00 56.93 56.45 1iex s PHE 208 Cb -0.16 -3.98 0.02 0.00 -0.34 0.00 0.00 43.02 38.57 1iex s PHE 208 CO 0.03 -2.34 0.30 0.54 -1.46 0.00 0.00 175.22 172.30 1iex s VAL 209 N 4.91 0.07 -0.22 3.12 0.11 -1.26 -1.03 120.40 126.10 1iex s VAL 209 Ca 0.64 -0.60 0.00 0.00 -2.93 0.00 0.00 61.98 59.09 1iex s VAL 209 Cb -0.20 -0.81 0.00 0.00 -1.53 0.00 0.00 36.38 33.84 1iex s VAL 209 CO 0.27 -0.33 0.00 0.61 -3.33 0.00 0.00 175.10 172.32 1iex n GLY 210 N 0.86 0.43 0.25 6.54 0.00 -1.26 -4.92 105.19 107.08 1iex n GLY 210 Ca -0.20 -0.89 0.09 0.00 0.00 0.00 0.00 46.02 45.02 1iex n GLY 210 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1iex h ASP 211 N 0.00 0.00 -0.43 1.61 2.03 -1.94 -2.52 116.42 115.17 1iex h ASP 211 Ca -0.05 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.25 1iex h ASP 211 Cb 0.56 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.06 1iex h ASP 211 CO 0.07 0.14 0.00 0.61 -1.03 0.00 0.00 179.24 179.03 1iex n GLY 212 N -0.93 1.33 0.44 7.15 0.00 -1.26 -4.19 105.19 107.73 1iex n GLY 212 Ca -0.02 -0.50 0.07 0.00 0.00 0.00 0.00 46.02 45.57 1iex n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iex n GLY 213 N 1.06 5.04 3.78 -0.02 0.00 -0.95 -0.81 105.19 113.28 1iex n GLY 213 Ca 0.15 -1.24 -0.31 0.00 0.00 0.00 0.00 46.02 44.62 1iex n GLY 213 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iex s THR 214 N -3.11 3.50 0.14 2.61 -4.23 -1.26 -4.42 115.64 108.87 1iex s THR 214 Ca 0.36 0.51 -0.31 0.00 -1.18 0.00 0.00 61.69 61.06 1iex s THR 214 Cb 0.34 -3.05 -0.10 0.00 1.34 0.00 0.00 72.50 71.03 1iex s THR 214 CO -0.03 -0.62 1.65 0.54 -0.54 0.00 0.00 174.62 175.62 1iex s VAL 215 N -2.88 2.63 -1.58 2.29 0.11 -0.53 -2.19 120.40 118.25 1iex s VAL 215 Ca 0.61 0.34 0.00 0.00 -2.93 0.00 0.00 61.98 60.00 1iex s VAL 215 Cb -0.17 -3.22 0.00 0.00 -1.53 0.00 0.00 36.38 31.46 1iex s VAL 215 CO 0.54 0.02 0.00 0.47 -3.33 0.00 0.00 175.10 172.80 1iex n ASP 216 N 4.63 -4.11 -1.98 3.54 8.00 -1.26 -1.61 116.55 123.77 1iex n ASP 216 Ca 0.15 0.34 -0.18 0.00 0.71 0.00 0.00 54.79 55.81 1iex n ASP 216 Cb 0.38 -3.71 -0.02 0.00 -0.02 0.00 0.00 41.12 37.75 1iex n ASP 216 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iex n GLY 217 N -0.37 -0.06 3.68 0.44 0.00 -0.93 -4.67 105.19 103.28 1iex n GLY 217 Ca -0.16 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 1iex n GLY 217 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iex s ILE 218 N -2.88 4.35 0.33 -0.61 1.01 -0.63 -3.43 121.20 119.34 1iex s ILE 218 Ca 0.00 1.66 -0.29 0.00 0.00 0.00 0.00 60.65 62.02 1iex s ILE 218 Cb 0.00 -4.07 -0.11 0.00 0.01 0.00 0.00 42.46 38.29 1iex s ILE 218 CO 0.00 -0.05 1.55 0.21 0.00 0.00 0.00 174.94 176.65 1iex s ASN 219 N 1.54 6.36 0.00 3.58 3.04 -1.26 -2.54 114.94 125.65 1iex s ASN 219 Ca 0.54 2.99 0.00 0.00 0.04 0.00 0.00 52.86 56.43 1iex s ASN 219 Cb -0.22 -2.65 0.00 0.00 -1.54 0.00 0.00 41.25 36.84 1iex s ASN 219 CO 0.18 -0.90 0.00 -0.62 -3.04 0.00 0.00 177.10 172.73 1iex n GLU 220 N 1.45 -1.48 0.00 0.43 1.02 -1.26 -4.97 120.64 115.84 1iex n GLU 220 Ca 0.05 0.37 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 1iex n GLU 220 Cb 0.38 -4.63 0.00 0.00 -0.02 0.00 0.00 31.44 27.17 1iex n GLU 220 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1iex n ASN 221 N -0.74 0.00 -4.68 1.62 2.85 -1.05 -4.05 115.26 109.21 1iex n ASN 221 Ca 0.00 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 54.12 1iex n ASN 221 Cb 0.37 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.30 1iex n ASN 221 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1iex s ASN 222 N -1.00 5.60 -0.50 1.20 3.84 -1.26 -1.89 114.94 120.92 1iex s ASN 222 Ca 0.00 0.14 -0.15 0.00 0.21 0.00 0.00 52.86 53.06 1iex s ASN 222 Cb 0.00 -1.85 0.10 0.00 -0.55 0.00 0.00 41.25 38.96 1iex s ASN 222 CO 0.00 0.26 0.44 -0.89 -2.79 0.00 0.00 177.10 174.12 1iex s THR 223 N -0.16 5.10 -0.58 -5.21 2.01 0.15 -1.45 115.64 115.50 1iex s THR 223 Ca 0.07 -1.35 -0.18 0.00 0.31 0.00 0.00 61.69 60.54 1iex s THR 223 Cb -0.12 -4.18 0.11 0.00 0.01 0.00 0.00 72.50 68.31 1iex s THR 223 CO 0.01 -0.73 0.67 -0.63 -0.69 0.00 0.00 174.62 173.25 1iex s ILE 224 N 1.59 4.88 0.15 1.82 1.01 -1.26 -1.83 121.20 127.56 1iex s ILE 224 Ca 0.04 -1.07 -0.21 0.00 0.00 0.00 0.00 60.65 59.40 1iex s ILE 224 Cb -0.27 -4.46 0.06 0.00 0.01 0.00 0.00 42.46 37.79 1iex s ILE 224 CO 0.04 -1.08 0.56 -0.51 0.00 0.00 0.00 174.94 173.95 1iex s ILE 225 N 2.52 0.01 0.69 2.92 2.07 -1.26 -5.03 121.20 123.12 1iex s ILE 225 Ca 0.10 -0.14 -0.11 0.00 -1.41 0.00 0.00 60.65 59.09 1iex s ILE 225 Cb -0.25 -1.05 0.00 0.00 0.13 0.00 0.00 42.46 41.29 1iex s ILE 225 CO 0.06 -0.07 1.07 0.54 -1.91 0.00 0.00 174.94 174.63 1iex s ASN 226 N -2.76 5.62 0.22 4.50 2.20 -1.26 -4.80 114.94 118.66 1iex s ASN 226 Ca 0.02 1.27 -0.08 0.00 -0.94 0.00 0.00 52.86 53.13 1iex s ASN 226 Cb -0.00 -2.15 0.29 0.00 -2.00 0.00 0.00 41.25 37.38 1iex s ASN 226 CO -0.12 -1.25 1.81 -0.09 -2.94 0.00 0.00 177.10 174.51 1iex h ARG 227 N -0.59 0.72 -0.94 3.55 2.43 -2.02 -1.16 114.38 116.37 1iex h ARG 227 Ca -0.45 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1iex h ARG 227 Cb 1.23 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 30.57 1iex h ARG 227 CO 0.62 0.48 0.58 1.49 -1.51 0.00 0.00 179.97 181.63 1iex h GLU 228 N 0.74 1.27 -0.09 0.20 4.81 -1.98 0.94 114.58 120.48 1iex h GLU 228 Ca 0.33 -0.11 -0.12 0.00 -0.13 0.00 0.00 59.36 59.33 1iex h GLU 228 Cb 0.23 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1iex h GLU 228 CO -0.20 0.88 -0.50 0.78 -0.73 0.00 0.00 179.01 179.24 1iex h GLY 229 N 1.29 0.25 1.09 1.92 0.00 -1.79 -2.02 103.07 103.81 1iex h GLY 229 Ca 0.34 -0.26 -0.12 0.00 0.00 0.00 0.00 47.33 47.29 1iex h GLY 229 CO -0.07 0.24 -0.14 -2.00 0.00 0.00 0.00 176.54 174.57 1iex h LEU 230 N 0.18 1.01 -0.71 3.11 7.12 -0.45 -2.47 115.31 123.10 1iex h LEU 230 Ca 0.01 -0.37 -0.06 0.00 0.13 0.00 0.00 57.88 57.59 1iex h LEU 230 Cb 0.94 -0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 40.79 1iex h LEU 230 CO 0.08 1.14 -0.27 0.24 -0.13 0.00 0.00 178.44 179.50 1iex h MET 231 N 0.86 0.00 -0.01 1.25 2.86 -0.55 -2.05 114.93 117.29 1iex h MET 231 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1iex h MET 231 Cb 0.72 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.38 1iex h MET 231 CO 0.05 0.27 -0.58 0.27 1.06 0.00 0.00 176.91 177.99 1iex n ASN 232 N -3.30 1.14 -0.02 1.22 0.23 -0.78 -3.99 115.26 109.76 1iex n ASN 232 Ca 0.01 -1.07 -0.05 0.00 -0.53 0.00 0.00 54.58 52.94 1iex n ASN 232 Cb 0.52 0.77 -0.02 0.00 -2.08 0.00 0.00 39.78 38.97 1iex n ASN 232 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1iex n ILE 233 N -0.83 1.21 0.19 1.53 5.41 -0.93 -4.78 119.36 121.15 1iex n ILE 233 Ca 0.05 0.22 0.12 0.00 1.00 0.00 0.00 62.75 64.13 1iex n ILE 233 Cb 0.29 -1.85 0.04 0.00 -0.71 0.00 0.00 39.64 37.41 1iex n ILE 233 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 176.55 177.00 1iex h HIS 234 N -0.40 0.00 0.08 1.39 3.86 -1.62 -3.41 115.15 115.04 1iex h HIS 234 Ca -0.05 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 58.81 1iex h HIS 234 Cb 0.55 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.99 1iex h HIS 234 CO -0.15 0.00 -1.96 -0.12 0.86 0.00 0.00 177.93 176.56 1iex n MET 235 N -2.63 0.71 -0.34 2.45 0.00 -0.81 -4.57 117.12 111.93 1iex n MET 235 Ca 0.01 0.25 0.03 0.00 0.00 0.00 0.00 57.70 57.99 1iex n MET 235 Cb 0.53 -1.71 0.09 0.00 0.00 0.00 0.00 33.22 32.13 1iex n MET 235 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 1iex n PRO 236 N -3.31 -0.13 0.14 2.12 -0.02 -1.26 -0.90 135.00 131.64 1iex n PRO 236 Ca -0.29 1.41 0.13 0.00 -2.02 0.00 0.00 63.50 62.74 1iex n PRO 236 Cb 1.05 -2.10 0.66 0.00 -0.02 0.00 0.00 33.50 33.09 1iex n PRO 236 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1iex h ALA 237 N 1.61 2.22 -0.06 3.55 0.00 -1.88 -1.79 119.26 122.91 1iex h ALA 237 Ca 0.39 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.21 1iex h ALA 237 Cb 0.62 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1iex h ALA 237 CO -0.92 -0.28 -0.35 1.88 0.00 0.00 0.00 179.25 179.57 1iex h TYR 238 N 0.01 0.13 -0.20 0.00 -1.99 -1.31 -1.51 116.97 112.09 1iex h TYR 238 Ca 0.11 -0.03 -0.15 0.00 2.00 0.00 0.00 58.73 60.66 1iex h TYR 238 Cb 0.45 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 39.14 1iex h TYR 238 CO -0.00 0.45 -0.50 -0.22 -0.00 0.00 0.00 178.16 177.89 1iex h LYS 239 N 0.10 0.57 -0.41 4.88 1.63 -1.38 -2.24 116.57 119.71 1iex h LYS 239 Ca 0.01 -0.33 -0.05 0.00 -0.85 0.00 0.00 60.65 59.42 1iex h LYS 239 Cb 0.67 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.32 1iex h LYS 239 CO 0.05 0.94 0.05 -0.91 -3.45 0.00 0.00 179.45 176.13 1iex h ASN 240 N 0.44 0.67 -0.96 4.20 4.21 -1.37 -2.55 115.58 120.23 1iex h ASN 240 Ca 0.02 -0.27 0.09 0.00 1.21 0.00 0.00 56.30 57.34 1iex h ASN 240 Cb 1.04 -0.18 -0.07 0.00 -1.12 0.00 0.00 38.32 37.99 1iex h ASN 240 CO 0.10 0.78 0.62 0.00 -1.29 0.00 0.00 177.43 177.63 1iex h ALA 241 N 0.92 1.51 -0.53 -0.83 0.00 -1.10 -1.62 119.26 117.60 1iex h ALA 241 Ca 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1iex h ALA 241 Cb 0.40 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1iex h ALA 241 CO 0.01 0.31 0.31 0.52 0.00 0.00 0.00 179.25 180.40 1iex h MET 242 N 1.04 0.74 0.00 0.00 2.86 -1.02 -2.03 114.93 116.51 1iex h MET 242 Ca 0.44 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 58.00 1iex h MET 242 Cb 0.31 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1iex h MET 242 CO -0.19 0.55 0.00 -0.44 1.06 0.00 0.00 176.91 177.89 1iex h ASP 243 N 0.71 0.00 -0.61 1.22 3.32 -0.92 -1.44 116.42 118.70 1iex h ASP 243 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1iex h ASP 243 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1iex h ASP 243 CO -0.03 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.78 1iex n LYS 244 N -3.06 3.14 -2.42 3.56 5.02 -0.82 -4.82 118.16 118.76 1iex n LYS 244 Ca -0.01 -2.65 -0.15 0.00 -2.02 0.00 0.00 58.31 53.48 1iex n LYS 244 Cb 0.20 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 1iex n LYS 244 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1iex n GLY 245 N 1.16 -0.20 3.66 0.72 0.00 -0.81 -4.69 105.19 105.02 1iex n GLY 245 Ca 0.23 -0.24 -0.50 0.00 0.00 0.00 0.00 46.02 45.51 1iex n GLY 245 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1iex n VAL 246 N -4.04 0.17 0.02 1.61 3.14 -0.89 -1.93 118.33 116.41 1iex n VAL 246 Ca -0.14 -0.03 -0.06 0.00 -2.96 0.00 0.00 64.34 61.15 1iex n VAL 246 Cb 0.62 -1.39 0.14 0.00 -1.06 0.00 0.00 33.84 32.15 1iex n VAL 246 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1iex h SER 247 N 6.49 0.49 -5.50 6.55 0.02 -1.82 -3.42 113.55 116.36 1iex h SER 247 Ca -0.47 -0.22 -0.20 0.00 -0.84 0.00 0.00 61.79 60.06 1iex h SER 247 Cb 1.29 -0.14 -0.14 0.00 0.14 0.00 0.00 62.40 63.54 1iex h SER 247 CO 0.88 0.85 -0.58 0.42 -1.14 0.00 0.00 176.83 177.26 1iex s THR 248 N -4.21 0.03 -0.02 -2.27 -4.23 -1.12 -3.17 115.64 100.65 1iex s THR 248 Ca -0.07 -1.90 -0.01 0.00 -1.18 0.00 0.00 61.69 58.54 1iex s THR 248 Cb 0.13 -2.31 0.02 0.00 1.34 0.00 0.00 72.50 71.68 1iex s THR 248 CO 0.81 -0.15 0.04 -0.69 -0.54 0.00 0.00 174.62 174.09 1iex s VAL 249 N -4.11 -0.04 -0.13 2.29 1.01 -1.12 -2.51 120.40 115.79 1iex s VAL 249 Ca 0.32 0.16 -0.06 0.00 0.00 0.00 0.00 61.98 62.41 1iex s VAL 249 Cb 0.06 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.31 1iex s VAL 249 CO 0.08 0.07 0.08 -0.32 0.00 0.00 0.00 175.10 175.01 1iex s MET 250 N 0.84 3.47 0.18 2.72 0.00 -0.77 -1.12 119.30 124.62 1iex s MET 250 Ca -0.07 -0.27 -0.24 0.00 0.00 0.00 0.00 55.69 55.12 1iex s MET 250 Cb -0.10 -3.09 -0.08 0.00 0.00 0.00 0.00 34.83 31.56 1iex s MET 250 CO -0.03 0.61 0.76 0.42 0.00 0.00 0.00 175.02 176.78 1iex s ILE 251 N -0.58 4.43 0.53 10.11 -1.09 -0.42 -0.93 121.20 133.26 1iex s ILE 251 Ca 0.11 1.57 -0.16 0.00 -2.23 0.00 0.00 60.65 59.94 1iex s ILE 251 Cb -0.12 -4.05 -0.07 0.00 -1.58 0.00 0.00 42.46 36.65 1iex s ILE 251 CO 0.02 0.43 1.00 -0.55 -1.23 0.00 0.00 174.94 174.61 1iex s SER 252 N -1.30 6.45 0.27 3.58 0.15 -0.20 -3.77 113.70 118.89 1iex s SER 252 Ca 0.38 1.61 0.12 0.00 0.70 0.00 0.00 55.95 58.76 1iex s SER 252 Cb -0.21 -2.51 0.33 0.00 -1.71 0.00 0.00 66.02 61.92 1iex s SER 252 CO 0.24 -0.71 1.58 1.88 1.20 0.00 0.00 173.24 177.43 1iex h TYR 253 N 0.78 0.00 -3.42 3.44 0.99 -1.91 -3.37 116.97 113.47 1iex h TYR 253 Ca -0.47 0.00 -0.45 0.00 2.00 0.00 0.00 58.73 59.81 1iex h TYR 253 Cb 1.19 0.00 0.21 0.00 1.00 0.00 0.00 36.73 39.13 1iex h TYR 253 CO 0.63 0.61 0.05 -1.54 -0.00 0.00 0.00 178.16 177.90 1iex s SER 254 N -6.70 1.28 0.21 3.88 1.04 -1.26 -4.67 113.70 107.47 1iex s SER 254 Ca -0.00 1.59 0.11 0.00 0.48 0.00 0.00 55.95 58.13 1iex s SER 254 Cb 0.12 -2.32 -0.05 0.00 0.10 0.00 0.00 66.02 63.87 1iex s SER 254 CO 0.75 -4.03 -0.23 -0.44 0.98 0.00 0.00 173.24 170.27 1iex s SER 255 N -2.59 3.44 -0.24 7.02 0.01 -0.79 -2.13 113.70 118.42 1iex s SER 255 Ca 0.68 -0.90 -0.02 0.00 1.31 0.00 0.00 55.95 57.02 1iex s SER 255 Cb -0.24 -0.26 0.02 0.00 0.21 0.00 0.00 66.02 65.75 1iex s SER 255 CO 0.63 0.10 -0.06 0.86 0.41 0.00 0.00 173.24 175.18 1iex s TRP 256 N -1.84 3.03 -1.47 2.43 -0.00 0.36 -0.68 118.94 120.79 1iex s TRP 256 Ca 0.22 -1.44 -0.04 0.00 -0.00 0.00 0.00 56.10 54.84 1iex s TRP 256 Cb -0.07 -2.06 0.03 0.00 -0.00 0.00 0.00 33.47 31.36 1iex s TRP 256 CO 0.11 -0.70 0.49 0.09 -0.00 0.00 0.00 176.95 176.94 1iex n ASN 257 N 4.69 -0.97 0.00 5.86 3.02 -0.76 -1.32 115.26 125.78 1iex n ASN 257 Ca -0.17 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.38 1iex n ASN 257 Cb 0.48 -3.01 0.00 0.00 -0.61 0.00 0.00 39.78 36.64 1iex n ASN 257 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1iex n GLY 258 N -1.88 2.96 3.65 7.41 0.00 -1.26 -5.03 105.19 111.03 1iex n GLY 258 Ca -0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 1iex n GLY 258 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iex s VAL 259 N -2.00 5.18 0.16 1.61 1.01 -0.44 -5.01 120.40 120.90 1iex s VAL 259 Ca 0.00 0.69 -0.31 0.00 0.00 0.00 0.00 61.98 62.36 1iex s VAL 259 Cb 0.00 -3.73 -0.11 0.00 0.00 0.00 0.00 36.38 32.54 1iex s VAL 259 CO 0.00 0.21 1.75 -0.54 0.00 0.00 0.00 175.10 176.52 1iex s LYS 260 N 1.62 4.14 0.48 2.72 -0.14 -1.26 -0.48 119.74 126.82 1iex s LYS 260 Ca 0.18 2.56 0.14 0.00 -1.36 0.00 0.00 55.97 57.49 1iex s LYS 260 Cb -0.15 -3.36 1.14 0.00 -1.68 0.00 0.00 37.83 33.78 1iex s LYS 260 CO 0.09 -0.78 2.10 0.52 -0.76 0.00 0.00 175.35 176.52 1iex h MET 261 N 7.74 0.19 0.00 1.68 2.86 -1.65 -0.97 114.93 124.78 1iex h MET 261 Ca -0.44 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.19 1iex h MET 261 Cb 1.21 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.83 1iex h MET 261 CO 0.95 0.12 0.00 0.72 1.06 0.00 0.00 176.91 179.76 1iex n HIS 262 N -4.50 0.00 -0.91 -0.22 8.25 -1.26 -2.69 115.22 113.89 1iex n HIS 262 Ca 0.01 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.47 1iex n HIS 262 Cb 0.13 -0.09 0.01 0.00 1.12 0.00 0.00 29.99 31.16 1iex n HIS 262 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1iex n ALA 263 N -1.09 1.45 -2.99 -1.41 0.00 -0.43 -4.01 120.51 112.03 1iex n ALA 263 Ca 0.13 -0.81 -0.44 0.00 0.00 0.00 0.00 53.44 52.32 1iex n ALA 263 Cb 0.10 -0.09 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1iex n ALA 263 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1iex s ASN 264 N -0.54 6.37 0.35 0.00 3.84 -0.84 -4.82 114.94 119.31 1iex s ASN 264 Ca 0.02 -1.60 0.17 0.00 0.21 0.00 0.00 52.86 51.66 1iex s ASN 264 Cb 0.02 -2.36 0.61 0.00 -0.55 0.00 0.00 41.25 38.96 1iex s ASN 264 CO 0.00 -1.16 1.71 -0.61 -2.79 0.00 0.00 177.10 174.25 1iex h GLN 265 N 9.08 0.00 -0.01 0.43 4.15 -1.90 -2.17 115.11 124.70 1iex h GLN 265 Ca -0.12 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.30 1iex h GLN 265 Cb 1.06 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.75 1iex h GLN 265 CO 1.10 0.43 0.00 -0.44 -1.93 0.00 0.00 178.83 177.99 1iex h ASP 266 N 0.00 0.01 0.18 -0.69 3.32 -1.90 -1.66 116.42 115.68 1iex h ASP 266 Ca -0.00 -0.02 -0.25 0.00 0.02 0.00 0.00 57.03 56.78 1iex h ASP 266 Cb 0.94 -0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.51 1iex h ASP 266 CO 0.06 0.02 -1.09 -0.07 -1.72 0.00 0.00 179.24 176.43 1iex h LEU 267 N -0.01 0.61 0.22 1.55 3.38 -1.93 -0.66 115.31 118.48 1iex h LEU 267 Ca 0.00 -0.94 -0.01 0.00 0.09 0.00 0.00 57.88 57.02 1iex h LEU 267 Cb 0.01 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1iex h LEU 267 CO -0.00 1.53 -0.11 0.58 0.09 0.00 0.00 178.44 180.53 1iex h VAL 268 N -0.17 0.83 0.00 1.22 2.07 -1.47 -0.02 116.25 118.70 1iex h VAL 268 Ca -0.19 -0.78 -0.17 0.00 0.82 0.00 0.00 66.70 66.37 1iex h VAL 268 Cb 1.85 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 32.85 1iex h VAL 268 CO 0.20 0.16 -1.03 0.74 0.02 0.00 0.00 177.57 177.66 1iex h THR 269 N -0.73 0.79 -0.50 2.57 2.02 -1.48 -2.84 112.91 112.75 1iex h THR 269 Ca -0.03 -1.96 0.03 0.00 0.77 0.00 0.00 66.41 65.22 1iex h THR 269 Cb 0.49 1.85 -0.04 0.00 -1.74 0.00 0.00 68.15 68.72 1iex h THR 269 CO 0.05 0.27 0.28 1.23 0.37 0.00 0.00 175.52 177.71 1iex h GLY 270 N -1.00 0.70 0.00 2.16 0.00 -0.87 -0.02 103.07 104.04 1iex h GLY 270 Ca -0.26 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1iex h GLY 270 CO -0.16 0.16 -0.70 2.98 0.00 0.00 0.00 176.54 178.82 1iex n TYR 271 N -4.84 0.32 0.08 5.60 9.36 -0.29 -2.99 117.16 124.40 1iex n TYR 271 Ca 0.04 0.14 -0.12 0.00 3.32 0.00 0.00 57.90 61.28 1iex n TYR 271 Cb 0.10 -0.54 -0.05 0.00 -0.63 0.00 0.00 39.34 38.21 1iex n TYR 271 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 1iex h LEU 272 N -0.87 -0.71 0.00 2.98 5.85 -1.06 0.42 115.31 121.92 1iex h LEU 272 Ca 0.00 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 1iex h LEU 272 Cb 0.70 0.28 -0.00 0.00 0.37 0.00 0.00 40.66 42.01 1iex h LEU 272 CO 0.00 -0.32 -0.18 0.11 -0.34 0.00 0.00 178.44 177.72 1iex h LYS 273 N -0.40 0.00 0.10 1.25 1.57 -1.40 -2.55 116.57 115.13 1iex h LYS 273 Ca 0.05 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.57 1iex h LYS 273 Cb 0.46 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.78 1iex h LYS 273 CO -0.19 0.99 -1.16 -0.44 -0.57 0.00 0.00 179.45 178.08 1iex h ASP 274 N -1.00 0.53 0.02 0.86 3.32 -1.10 -2.80 116.42 116.24 1iex h ASP 274 Ca -0.05 -0.51 -0.29 0.00 0.02 0.00 0.00 57.03 56.21 1iex h ASP 274 Cb 1.03 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.37 1iex h ASP 274 CO -0.03 1.36 -1.57 0.41 -1.72 0.00 0.00 179.24 177.68 1iex n THR 275 N -3.64 1.57 1.20 0.35 -1.04 -0.49 -4.26 114.28 107.98 1iex n THR 275 Ca -0.09 -0.18 0.14 0.00 -2.04 0.00 0.00 64.05 61.88 1iex n THR 275 Cb 0.96 -1.96 0.64 0.00 -1.82 0.00 0.00 70.33 68.15 1iex n THR 275 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1iex n LEU 276 N -4.23 0.10 -2.34 -4.42 4.77 0.02 -4.93 117.00 105.96 1iex n LEU 276 Ca -0.35 0.32 -0.19 0.00 -0.03 0.00 0.00 56.01 55.76 1iex n LEU 276 Cb 0.77 -0.36 0.01 0.00 -2.33 0.00 0.00 43.42 41.51 1iex n LEU 276 CO 0.21 0.02 -0.15 0.29 -1.33 0.00 0.00 177.39 176.43 1iex n LYS 277 N -1.36 -2.55 -1.87 3.23 4.76 -1.06 -4.61 118.16 114.71 1iex n LYS 277 Ca 0.10 0.87 -0.42 0.00 -2.87 0.00 0.00 58.31 56.00 1iex n LYS 277 Cb 0.30 -5.45 -0.03 0.00 -1.84 0.00 0.00 35.03 28.00 1iex n LYS 277 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 1iex s PHE 278 N -3.00 2.46 -1.53 2.13 5.36 -0.97 -4.54 117.98 117.90 1iex s PHE 278 Ca 0.10 0.28 0.12 0.00 -0.96 0.00 0.00 56.93 56.47 1iex s PHE 278 Cb -0.04 -4.02 0.10 0.00 -0.34 0.00 0.00 43.02 38.72 1iex s PHE 278 CO 0.12 -4.06 0.89 1.63 -1.46 0.00 0.00 175.22 172.34 1iex n LYS 279 N 5.32 0.72 -0.03 10.12 4.01 0.23 -4.71 118.16 133.83 1iex n LYS 279 Ca 0.16 -1.23 0.00 0.00 -0.51 0.00 0.00 58.31 56.73 1iex n LYS 279 Cb 0.39 -1.23 0.00 0.00 -0.51 0.00 0.00 35.03 33.68 1iex n LYS 279 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1iex n GLY 280 N 0.69 -0.08 3.61 0.72 0.00 -1.26 -4.71 105.19 104.16 1iex n GLY 280 Ca 0.07 -1.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.05 1iex n GLY 280 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1iex s PHE 281 N 0.43 2.79 -0.21 1.61 -0.12 -1.19 -4.85 117.98 116.44 1iex s PHE 281 Ca 0.00 -0.13 -0.10 0.00 -0.05 0.00 0.00 56.93 56.64 1iex s PHE 281 Cb 0.00 -1.44 -0.05 0.00 -0.63 0.00 0.00 43.02 40.90 1iex s PHE 281 CO 0.00 0.45 0.15 0.08 -0.05 0.00 0.00 175.22 175.85 1iex s VAL 282 N -1.29 5.38 0.07 -2.49 1.01 -1.26 -2.78 120.40 119.04 1iex s VAL 282 Ca 0.23 0.21 0.09 0.00 0.00 0.00 0.00 61.98 62.50 1iex s VAL 282 Cb -0.11 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 1iex s VAL 282 CO 0.15 0.40 -0.21 -0.51 0.00 0.00 0.00 175.10 174.93 1iex s ILE 283 N 0.66 2.58 0.81 2.22 2.07 -0.27 -0.38 121.20 128.90 1iex s ILE 283 Ca 0.08 -1.40 -0.10 0.00 -1.41 0.00 0.00 60.65 57.82 1iex s ILE 283 Cb -0.12 -2.11 0.12 0.00 0.13 0.00 0.00 42.46 40.48 1iex s ILE 283 CO 0.01 0.25 1.15 -0.94 -1.91 0.00 0.00 174.94 173.49 1iex s SER 284 N -1.67 4.14 0.68 4.50 1.04 -0.97 -1.30 113.70 120.13 1iex s SER 284 Ca 0.15 0.36 0.01 0.00 0.48 0.00 0.00 55.95 56.95 1iex s SER 284 Cb -0.10 -0.75 0.11 0.00 0.10 0.00 0.00 66.02 65.38 1iex s SER 284 CO 0.06 -2.06 0.94 -0.62 0.98 0.00 0.00 173.24 172.54 1iex s ASP 285 N -4.68 4.54 -0.24 7.02 -1.08 -1.25 -4.46 116.67 116.52 1iex s ASP 285 Ca 0.66 -0.42 -0.29 0.00 -0.52 0.00 0.00 52.55 51.98 1iex s ASP 285 Cb -0.08 -0.03 -0.06 0.00 -1.46 0.00 0.00 42.92 41.29 1iex s ASP 285 CO 0.48 -1.72 2.22 1.87 0.52 0.00 0.00 175.17 178.54 1iex n TRP 286 N -2.70 1.91 -3.49 -5.34 -0.00 -1.26 -1.22 117.44 105.34 1iex n TRP 286 Ca 0.15 -0.08 -0.25 0.00 -0.00 0.00 0.00 57.50 57.31 1iex n TRP 286 Cb 0.61 -2.70 0.04 0.00 -0.00 0.00 0.00 31.31 29.25 1iex n TRP 286 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.69 178.08 1iex n GLU 287 N 8.71 -5.74 -0.20 5.87 1.02 -1.15 -4.90 120.64 124.25 1iex n GLU 287 Ca 0.31 0.74 -0.10 0.00 -0.02 0.00 0.00 57.16 58.10 1iex n GLU 287 Cb 0.42 -5.64 0.02 0.00 -0.02 0.00 0.00 31.44 26.22 1iex n GLU 287 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1iex h GLY 288 N -1.90 1.14 2.00 0.62 0.00 -1.41 -3.05 103.07 100.47 1iex h GLY 288 Ca -0.54 -0.86 -0.11 0.00 0.00 0.00 0.00 47.33 45.81 1iex h GLY 288 CO 0.59 0.79 -0.54 0.16 0.00 0.00 0.00 176.54 177.55 1iex h ILE 289 N 0.94 1.27 -0.70 2.60 3.07 -1.90 -3.00 117.51 119.78 1iex h ILE 289 Ca 0.16 -1.91 -0.02 0.00 1.55 0.00 0.00 64.86 64.64 1iex h ILE 289 Cb 0.60 2.06 -0.03 0.00 -0.27 0.00 0.00 36.82 39.18 1iex h ILE 289 CO 0.04 0.53 0.36 0.44 -1.05 0.00 0.00 178.15 178.47 1iex h ASP 290 N 0.00 0.88 -0.11 2.16 5.19 -1.91 -2.22 116.42 120.42 1iex h ASP 290 Ca -0.01 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1iex h ASP 290 Cb 1.02 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.31 1iex h ASP 290 CO 0.07 0.72 0.00 0.54 -3.12 0.00 0.00 179.24 177.45 1iex n ARG 291 N -4.35 1.39 0.14 3.56 1.74 -1.13 0.09 116.66 118.09 1iex n ARG 291 Ca 0.07 -0.44 0.01 0.00 -0.77 0.00 0.00 57.85 56.71 1iex n ARG 291 Cb 0.11 -1.27 0.10 0.00 -1.02 0.00 0.00 32.46 30.38 1iex n ARG 291 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1iex h ILE 292 N 0.66 1.13 -1.59 0.55 2.04 -1.47 -3.45 117.51 115.37 1iex h ILE 292 Ca 0.00 -2.27 -0.51 0.00 1.00 0.00 0.00 64.86 63.08 1iex h ILE 292 Cb 0.36 2.34 -0.05 0.00 -0.74 0.00 0.00 36.82 38.73 1iex h ILE 292 CO 0.03 0.58 -0.42 0.42 0.00 0.00 0.00 178.15 178.75 1iex s THR 293 N -3.17 2.71 -0.04 -0.27 -4.23 -1.22 -4.99 115.64 104.42 1iex s THR 293 Ca 0.02 -1.44 -0.02 0.00 -1.18 0.00 0.00 61.69 59.07 1iex s THR 293 Cb 0.10 -3.02 0.03 0.00 1.34 0.00 0.00 72.50 70.95 1iex s THR 293 CO 0.75 -0.03 0.07 0.28 -0.54 0.00 0.00 174.62 175.14 1iex s THR 294 N -2.48 -0.12 1.09 3.99 -1.32 -1.26 -3.14 115.64 112.40 1iex s THR 294 Ca 0.45 0.41 -0.12 0.00 -1.21 0.00 0.00 61.69 61.22 1iex s THR 294 Cb -0.02 -0.16 0.24 0.00 -1.51 0.00 0.00 72.50 71.05 1iex s THR 294 CO 0.26 0.17 1.06 -2.16 -2.21 0.00 0.00 174.62 171.74 1iex s PRO 295 N 2.11 -0.30 0.40 7.08 0.04 -1.26 -5.02 135.00 138.06 1iex s PRO 295 Ca 0.04 0.92 -0.25 0.00 0.04 0.00 0.00 61.00 61.75 1iex s PRO 295 Cb -0.12 -1.62 -0.08 0.00 0.04 0.00 0.00 34.50 32.72 1iex s PRO 295 CO -0.03 -3.33 1.20 0.00 0.04 0.00 0.00 177.00 174.88 1iex s ALA 296 N -2.58 3.18 -0.96 8.56 0.00 -1.19 -3.11 121.76 125.66 1iex s ALA 296 Ca 0.67 1.03 0.00 0.00 0.00 0.00 0.00 51.96 53.67 1iex s ALA 296 Cb -0.23 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1iex s ALA 296 CO 0.62 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 176.19 1iex n GLY 297 N 0.65 0.99 0.03 0.00 0.00 0.11 -4.88 105.19 102.10 1iex n GLY 297 Ca 0.04 -0.21 0.13 0.00 0.00 0.00 0.00 46.02 45.98 1iex n GLY 297 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1iex n SER 298 N -0.48 0.36 -2.93 1.61 3.41 -1.18 -4.24 113.62 110.17 1iex n SER 298 Ca -0.09 0.30 -0.14 0.00 -0.26 0.00 0.00 58.87 58.68 1iex n SER 298 Cb 0.43 -0.31 0.01 0.00 -0.26 0.00 0.00 64.21 64.08 1iex n SER 298 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1iex n ASP 299 N -1.73 -1.40 -0.31 4.04 -0.08 -1.26 -5.00 116.55 110.81 1iex n ASP 299 Ca 0.06 -3.18 0.10 0.00 -1.51 0.00 0.00 54.79 50.25 1iex n ASP 299 Cb 0.37 0.82 0.32 0.00 2.34 0.00 0.00 41.12 44.98 1iex n ASP 299 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 1iex h TYR 300 N 3.63 0.95 -0.76 -0.67 3.20 -1.96 -1.09 116.97 120.29 1iex h TYR 300 Ca -0.04 0.03 0.09 0.00 3.14 0.00 0.00 58.73 61.94 1iex h TYR 300 Cb 1.00 -0.30 -0.07 0.00 1.54 0.00 0.00 36.73 38.90 1iex h TYR 300 CO 0.24 0.36 0.42 1.03 -1.64 0.00 0.00 178.16 178.57 1iex h SER 301 N 0.82 0.58 0.19 -2.11 0.87 -1.96 -0.60 113.55 111.33 1iex h SER 301 Ca 0.47 0.05 -0.15 0.00 -1.23 0.00 0.00 61.79 60.92 1iex h SER 301 Cb 0.63 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 1iex h SER 301 CO -0.23 0.34 -0.58 0.22 -0.53 0.00 0.00 176.83 176.04 1iex h TYR 302 N 0.71 0.51 -0.34 2.24 3.20 -1.66 -2.60 116.97 119.03 1iex h TYR 302 Ca 0.36 -0.19 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 1iex h TYR 302 Cb 0.33 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 1iex h TYR 302 CO -0.08 0.89 0.21 0.77 -1.64 0.00 0.00 178.16 178.30 1iex h SER 303 N 0.31 0.40 -0.04 -2.11 0.02 -0.41 -0.01 113.55 111.72 1iex h SER 303 Ca -0.00 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1iex h SER 303 Cb 1.11 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.54 1iex h SER 303 CO 0.10 0.33 0.02 0.58 -1.14 0.00 0.00 176.83 176.72 1iex h VAL 304 N 0.44 1.10 -0.30 2.27 2.07 -1.15 -1.80 116.25 118.87 1iex h VAL 304 Ca 0.12 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.38 1iex h VAL 304 Cb 0.00 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1iex h VAL 304 CO -0.02 0.08 0.15 0.50 0.02 0.00 0.00 177.57 178.29 1iex h LYS 305 N -0.06 0.30 -0.23 1.57 3.64 -1.32 -1.89 116.57 118.58 1iex h LYS 305 Ca 0.01 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1iex h LYS 305 Cb 0.11 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1iex h LYS 305 CO -0.00 0.20 -0.07 0.00 -2.27 0.00 0.00 179.45 177.31 1iex h ALA 306 N 1.15 0.32 -0.31 5.00 0.00 -0.96 -2.36 119.26 122.10 1iex h ALA 306 Ca 0.12 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1iex h ALA 306 Cb 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1iex h ALA 306 CO -0.09 0.14 -0.13 0.66 0.00 0.00 0.00 179.25 179.82 1iex h SER 307 N 0.19 0.65 -0.38 0.00 4.64 -1.31 -0.34 113.55 117.01 1iex h SER 307 Ca 0.06 -0.40 -0.10 0.00 -0.47 0.00 0.00 61.79 60.87 1iex h SER 307 Cb 0.54 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 1iex h SER 307 CO 0.03 0.91 -0.13 0.40 -0.87 0.00 0.00 176.83 177.16 1iex h ILE 308 N 0.39 1.26 0.00 0.95 1.08 -1.42 -2.46 117.51 117.32 1iex h ILE 308 Ca 0.07 -1.22 -0.12 0.00 -0.39 0.00 0.00 64.86 63.19 1iex h ILE 308 Cb 0.65 1.06 -0.02 0.00 -3.07 0.00 0.00 36.82 35.44 1iex h ILE 308 CO 0.04 0.42 -0.59 -0.07 -0.69 0.00 0.00 178.15 177.26 1iex h LEU 309 N 0.75 0.00 -1.55 1.44 3.38 -1.41 -2.76 115.31 115.16 1iex h LEU 309 Ca 0.12 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 1iex h LEU 309 Cb 0.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1iex h LEU 309 CO 0.04 0.59 -0.24 0.00 0.09 0.00 0.00 178.44 178.93 1iex h ALA 310 N 1.41 1.39 0.00 1.53 0.00 -0.67 -3.47 119.26 119.45 1iex h ALA 310 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1iex h ALA 310 Cb 1.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1iex h ALA 310 CO 0.08 0.29 0.00 0.41 0.00 0.00 0.00 179.25 180.03 1iex n GLY 311 N -0.61 0.67 3.76 0.00 0.00 -0.97 -3.68 105.19 104.36 1iex n GLY 311 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1iex n GLY 311 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iex s LEU 312 N 0.00 3.54 -0.14 0.99 1.02 -0.97 -4.83 118.68 118.29 1iex s LEU 312 Ca 0.00 2.18 -0.01 0.00 0.02 0.00 0.00 54.13 56.31 1iex s LEU 312 Cb 0.00 -4.57 -0.08 0.00 0.02 0.00 0.00 46.19 41.55 1iex s LEU 312 CO 0.00 -1.59 -0.14 0.47 0.02 0.00 0.00 176.35 175.11 1iex n ASP 313 N -1.96 2.39 -4.25 2.29 10.43 0.49 -4.76 116.55 121.18 1iex n ASP 313 Ca 0.12 -0.00 -0.28 0.00 2.57 0.00 0.00 54.79 57.20 1iex n ASP 313 Cb 0.51 -0.28 -0.15 0.00 1.84 0.00 0.00 41.12 43.04 1iex n ASP 313 CO 0.00 0.00 0.00 -0.32 -1.07 0.00 0.00 177.20 175.81 1iex s MET 314 N -2.27 1.69 -0.21 -1.24 0.00 -0.23 -4.66 119.30 112.38 1iex s MET 314 Ca -0.19 -0.83 -0.02 0.00 0.00 0.00 0.00 55.69 54.65 1iex s MET 314 Cb 0.06 -1.68 -0.00 0.00 0.00 0.00 0.00 34.83 33.20 1iex s MET 314 CO 0.30 0.45 -0.09 0.42 0.00 0.00 0.00 175.02 176.11 1iex s ILE 315 N -0.58 3.01 -1.07 10.11 -1.09 -0.28 -2.28 121.20 129.02 1iex s ILE 315 Ca 0.08 -0.62 -0.20 0.00 -2.23 0.00 0.00 60.65 57.69 1iex s ILE 315 Cb -0.09 -2.35 0.09 0.00 -1.58 0.00 0.00 42.46 38.54 1iex s ILE 315 CO -0.00 0.46 1.42 -0.32 -1.23 0.00 0.00 174.94 175.26 1iex s MET 316 N 1.41 3.73 0.07 2.79 -2.45 -1.26 -1.82 119.30 121.77 1iex s MET 316 Ca 0.05 -1.63 -0.19 0.00 -1.25 0.00 0.00 55.69 52.67 1iex s MET 316 Cb -0.14 -5.24 -0.07 0.00 1.25 0.00 0.00 34.83 30.63 1iex s MET 316 CO -0.06 -2.05 1.31 0.28 1.05 0.00 0.00 175.02 175.55 1iex h VAL 317 N 6.05 0.00 -0.01 10.11 2.07 -1.82 -3.03 116.25 129.63 1iex h VAL 317 Ca 0.25 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.77 1iex h VAL 317 Cb 0.97 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1iex h VAL 317 CO 1.33 0.00 -0.08 -0.81 0.02 0.00 0.00 177.57 178.02 1iex n PRO 318 N -4.20 1.30 -0.07 1.57 -0.04 -1.26 -3.80 135.00 128.49 1iex n PRO 318 Ca -0.02 -0.70 -0.15 0.00 -0.04 0.00 0.00 63.50 62.58 1iex n PRO 318 Cb 0.20 -1.06 -0.05 0.00 -0.04 0.00 0.00 33.50 32.55 1iex n PRO 318 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1iex n ASN 319 N 0.01 1.18 -3.64 3.54 3.02 -1.26 -1.04 115.26 117.07 1iex n ASN 319 Ca 0.04 0.20 -0.41 0.00 -0.03 0.00 0.00 54.58 54.37 1iex n ASN 319 Cb 0.17 -0.48 -0.01 0.00 -0.61 0.00 0.00 39.78 38.85 1iex n ASN 319 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1iex n LYS 320 N -3.76 3.32 0.17 3.52 5.02 -1.26 -4.71 118.16 120.46 1iex n LYS 320 Ca -0.27 -2.74 0.01 0.00 -2.02 0.00 0.00 58.31 53.29 1iex n LYS 320 Cb 0.65 -3.06 0.31 0.00 -0.02 0.00 0.00 35.03 32.91 1iex n LYS 320 CO 0.00 0.00 0.00 0.10 -0.52 0.00 0.00 177.40 176.98 1iex h TYR 321 N 5.62 0.02 -0.53 2.13 -0.00 -1.97 -3.03 116.97 119.21 1iex h TYR 321 Ca 0.62 -0.00 -0.03 0.00 0.00 0.00 0.00 58.73 59.32 1iex h TYR 321 Cb 0.53 -0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.23 1iex h TYR 321 CO 1.53 0.44 0.23 0.37 -0.00 0.00 0.00 178.16 180.73 1iex h GLN 322 N 0.01 0.78 -0.39 0.10 4.15 -2.00 -1.24 115.11 116.52 1iex h GLN 322 Ca -0.00 -0.13 -0.07 0.00 0.77 0.00 0.00 58.65 59.22 1iex h GLN 322 Cb 0.76 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.30 1iex h GLN 322 CO 0.06 0.67 -0.04 0.37 -1.93 0.00 0.00 178.83 177.95 1iex h GLN 323 N 0.71 0.71 0.46 1.69 4.15 -1.95 -1.27 115.11 119.62 1iex h GLN 323 Ca 0.18 -0.25 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 1iex h GLN 323 Cb 0.16 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 1iex h GLN 323 CO -0.02 0.83 -0.35 0.35 -1.93 0.00 0.00 178.83 177.71 1iex h PHE 324 N 0.53 -0.92 -0.83 3.99 3.57 -1.39 -0.44 116.94 121.43 1iex h PHE 324 Ca 0.11 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.64 1iex h PHE 324 Cb 0.53 0.34 -0.05 0.00 2.79 0.00 0.00 35.95 39.56 1iex h PHE 324 CO 0.04 -0.51 0.53 0.82 -2.23 0.00 0.00 178.31 176.96 1iex h ILE 325 N -0.79 1.10 -0.06 1.41 2.04 -1.22 -0.14 117.51 119.85 1iex h ILE 325 Ca -0.05 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 1iex h ILE 325 Cb 0.68 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1iex h ILE 325 CO 0.01 0.18 0.02 -1.28 0.00 0.00 0.00 178.15 177.08 1iex h SER 326 N 1.01 0.09 -0.47 1.72 0.87 -1.07 -1.19 113.55 114.52 1iex h SER 326 Ca 0.34 -0.22 -0.03 0.00 -1.23 0.00 0.00 61.79 60.65 1iex h SER 326 Cb 0.06 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 1iex h SER 326 CO -0.13 0.29 0.17 0.40 -0.53 0.00 0.00 176.83 177.02 1iex h ILE 327 N -0.11 1.22 -0.72 2.23 2.04 -0.86 -1.43 117.51 119.88 1iex h ILE 327 Ca 0.02 -0.69 -0.06 0.00 1.00 0.00 0.00 64.86 65.13 1iex h ILE 327 Cb 0.23 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 1iex h ILE 327 CO -0.00 0.25 0.23 0.25 0.00 0.00 0.00 178.15 178.88 1iex h LEU 328 N 0.62 1.05 -0.65 1.44 5.85 -0.99 -2.13 115.31 120.48 1iex h LEU 328 Ca 0.15 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1iex h LEU 328 Cb 0.23 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1iex h LEU 328 CO -0.01 0.97 0.30 0.74 -0.34 0.00 0.00 178.44 180.10 1iex h THR 329 N 1.06 1.23 -0.68 1.05 2.02 -1.04 -2.48 112.91 114.06 1iex h THR 329 Ca 0.23 -0.67 0.03 0.00 0.77 0.00 0.00 66.41 66.78 1iex h THR 329 Cb 0.30 0.46 -0.05 0.00 -1.74 0.00 0.00 68.15 67.12 1iex h THR 329 CO -0.01 0.27 0.42 1.23 0.37 0.00 0.00 175.52 177.80 1iex h GLY 330 N 0.91 0.99 1.14 2.16 0.00 -0.87 -0.97 103.07 106.43 1iex h GLY 330 Ca 0.22 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 1iex h GLY 330 CO -0.02 0.25 0.27 0.45 0.00 0.00 0.00 176.54 177.48 1iex h HIS 331 N 0.81 1.10 0.14 5.60 -0.00 -1.11 -0.73 115.15 120.96 1iex h HIS 331 Ca 0.28 -0.09 -0.01 0.00 -0.00 0.00 0.00 60.37 60.56 1iex h HIS 331 Cb 0.05 -0.33 0.00 0.00 -0.00 0.00 0.00 27.41 27.13 1iex h HIS 331 CO -0.05 0.85 -0.07 0.28 -0.00 0.00 0.00 177.93 178.95 1iex h VAL 332 N 1.05 1.02 -0.57 2.45 2.07 -1.09 0.22 116.25 121.41 1iex h VAL 332 Ca 0.24 -0.89 0.12 0.00 0.82 0.00 0.00 66.70 66.98 1iex h VAL 332 Cb 0.23 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 1iex h VAL 332 CO -0.02 0.20 0.39 0.78 0.02 0.00 0.00 177.57 178.95 1iex h ASN 333 N -0.63 0.24 0.25 0.57 2.35 -1.09 0.92 115.58 118.20 1iex h ASN 333 Ca -0.02 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1iex h ASN 333 Cb 0.48 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.80 1iex h ASN 333 CO 0.03 0.14 -0.07 0.61 -1.65 0.00 0.00 177.43 176.49 1iex n GLY 334 N -1.56 -0.84 2.84 2.83 0.00 -0.29 -4.92 105.19 103.25 1iex n GLY 334 Ca 0.10 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1iex n GLY 334 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iex n GLY 335 N 1.21 0.88 0.21 -0.02 0.00 0.32 -4.90 105.19 102.89 1iex n GLY 335 Ca 0.17 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.22 1iex n GLY 335 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1iex h VAL 336 N 0.00 1.22 -3.15 1.61 2.07 -1.19 -3.40 116.25 113.41 1iex h VAL 336 Ca 0.00 -1.03 -0.59 0.00 0.82 0.00 0.00 66.70 65.90 1iex h VAL 336 Cb 0.01 1.49 -0.36 0.00 -1.52 0.00 0.00 31.29 30.91 1iex h VAL 336 CO 0.00 0.30 -0.83 -0.63 0.02 0.00 0.00 177.57 176.43 1iex s ILE 337 N -4.42 1.49 0.61 4.57 1.01 -1.13 -5.01 121.20 118.32 1iex s ILE 337 Ca -0.04 -0.59 -0.18 0.00 0.00 0.00 0.00 60.65 59.84 1iex s ILE 337 Cb 0.15 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 1iex s ILE 337 CO 0.73 0.45 1.16 -2.16 0.00 0.00 0.00 174.94 175.11 1iex s PRO 338 N 1.42 2.96 0.49 2.79 0.04 -1.26 -4.42 135.00 137.03 1iex s PRO 338 Ca 0.03 1.65 0.22 0.00 0.04 0.00 0.00 61.00 62.93 1iex s PRO 338 Cb -0.13 -1.95 1.28 0.00 0.04 0.00 0.00 34.50 33.74 1iex s PRO 338 CO -0.09 -1.17 2.06 0.52 0.04 0.00 0.00 177.00 178.35 1iex h MET 339 N 0.65 0.00 -0.30 4.56 2.86 -1.96 -2.68 114.93 118.05 1iex h MET 339 Ca -0.49 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.10 1iex h MET 339 Cb 1.27 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.92 1iex h MET 339 CO 0.55 0.14 -0.02 0.66 1.06 0.00 0.00 176.91 179.29 1iex h SER 340 N 0.00 0.44 -0.26 1.22 4.64 -1.98 0.57 113.55 118.17 1iex h SER 340 Ca -0.00 -0.08 -0.06 0.00 -0.47 0.00 0.00 61.79 61.18 1iex h SER 340 Cb 0.29 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1iex h SER 340 CO 0.02 0.52 -0.06 -0.09 -0.87 0.00 0.00 176.83 176.35 1iex h ARG 341 N 0.45 0.49 0.02 4.77 9.65 -1.86 -0.69 114.38 127.21 1iex h ARG 341 Ca 0.10 -0.19 -0.00 0.00 -1.10 0.00 0.00 59.98 58.79 1iex h ARG 341 Cb 0.33 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.88 1iex h ARG 341 CO 0.01 0.71 -0.01 0.82 2.80 0.00 0.00 179.97 184.30 1iex h ILE 342 N 0.24 1.01 -0.79 1.20 1.08 -1.47 -1.81 117.51 116.97 1iex h ILE 342 Ca 0.07 -0.07 0.07 0.00 -0.39 0.00 0.00 64.86 64.53 1iex h ILE 342 Cb 0.52 1.06 -0.05 0.00 -3.07 0.00 0.00 36.82 35.28 1iex h ILE 342 CO 0.02 0.02 0.52 0.44 -0.69 0.00 0.00 178.15 178.46 1iex h ASP 343 N -0.05 0.75 -0.24 1.72 5.19 -0.80 -1.44 116.42 121.54 1iex h ASP 343 Ca -0.00 0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 1iex h ASP 343 Cb 0.05 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.39 1iex h ASP 343 CO 0.00 0.48 0.07 -0.78 -3.12 0.00 0.00 179.24 175.89 1iex h ASP 344 N 0.84 0.36 -0.08 6.45 3.58 -0.69 -0.92 116.42 125.97 1iex h ASP 344 Ca 0.34 -0.21 -0.00 0.00 0.42 0.00 0.00 57.03 57.58 1iex h ASP 344 Cb 0.26 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.21 1iex h ASP 344 CO -0.12 0.48 0.05 0.00 -2.88 0.00 0.00 179.24 176.77 1iex h ALA 345 N 0.89 0.10 -0.19 -0.78 0.00 -0.68 -2.34 119.26 116.26 1iex h ALA 345 Ca 0.08 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1iex h ALA 345 Cb 0.25 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1iex h ALA 345 CO -0.00 -0.39 -0.16 0.28 0.00 0.00 0.00 179.25 178.98 1iex h VAL 346 N 0.08 1.21 -0.40 0.00 2.07 -1.27 -1.85 116.25 116.09 1iex h VAL 346 Ca 0.03 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 1iex h VAL 346 Cb 0.03 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1iex h VAL 346 CO -0.01 0.30 0.16 0.74 0.02 0.00 0.00 177.57 178.79 1iex h THR 347 N 0.30 1.19 -0.52 2.57 2.02 -0.93 -1.03 112.91 116.51 1iex h THR 347 Ca 0.06 -0.60 -0.08 0.00 0.77 0.00 0.00 66.41 66.56 1iex h THR 347 Cb 0.47 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 1iex h THR 347 CO 0.03 0.22 0.02 0.03 0.37 0.00 0.00 175.52 176.19 1iex h ARG 348 N 0.50 0.90 -0.58 6.66 3.08 -1.12 -0.26 114.38 123.56 1iex h ARG 348 Ca 0.13 -0.27 -0.09 0.00 0.07 0.00 0.00 59.98 59.82 1iex h ARG 348 Cb 0.19 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1iex h ARG 348 CO -0.01 0.91 0.02 0.82 -1.07 0.00 0.00 179.97 180.65 1iex h ILE 349 N 0.77 1.26 -0.13 2.04 2.04 -1.22 -2.86 117.51 119.42 1iex h ILE 349 Ca 0.15 -1.10 -0.16 0.00 1.00 0.00 0.00 64.86 64.75 1iex h ILE 349 Cb 0.49 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1iex h ILE 349 CO 0.02 0.40 -0.61 -0.07 0.00 0.00 0.00 178.15 177.89 1iex h LEU 350 N 0.90 0.50 -0.58 1.44 3.38 -1.09 -2.79 115.31 117.09 1iex h LEU 350 Ca 0.17 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 57.89 1iex h LEU 350 Cb 0.52 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1iex h LEU 350 CO 0.02 0.99 0.32 -0.09 0.09 0.00 0.00 178.44 179.77 1iex h ARG 351 N 0.33 0.60 -0.44 1.13 2.43 -0.89 -0.08 114.38 117.46 1iex h ARG 351 Ca -0.01 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.08 1iex h ARG 351 Cb 1.14 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.54 1iex h ARG 351 CO 0.11 0.40 0.07 0.28 -1.51 0.00 0.00 179.97 179.31 1iex h VAL 352 N 0.62 1.25 -0.42 0.20 2.07 -1.47 -1.23 116.25 117.26 1iex h VAL 352 Ca 0.25 -0.90 -0.05 0.00 0.82 0.00 0.00 66.70 66.82 1iex h VAL 352 Cb 0.11 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1iex h VAL 352 CO -0.14 0.31 0.05 0.11 0.02 0.00 0.00 177.57 177.91 1iex h LYS 353 N 0.59 0.71 -0.53 1.57 1.57 -1.18 -2.21 116.57 117.08 1iex h LYS 353 Ca 0.13 -0.20 -0.08 0.00 -1.87 0.00 0.00 60.65 58.63 1iex h LYS 353 Cb 0.38 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1iex h LYS 353 CO 0.01 0.76 0.01 0.74 -0.57 0.00 0.00 179.45 180.39 1iex h PHE 354 N 0.55 1.01 -0.66 -1.35 0.05 -0.99 -2.19 116.94 113.36 1iex h PHE 354 Ca 0.12 -0.17 -0.05 0.00 3.82 0.00 0.00 57.97 61.69 1iex h PHE 354 Cb 0.41 -0.26 -0.03 0.00 2.00 0.00 0.00 35.95 38.07 1iex h PHE 354 CO 0.03 0.93 0.20 1.15 -0.18 0.00 0.00 178.31 180.44 1iex h THR 355 N 0.80 1.24 -0.01 -1.55 2.02 -1.11 -2.52 112.91 111.78 1iex h THR 355 Ca 0.15 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.49 1iex h THR 355 Cb 0.52 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1iex h THR 355 CO 0.03 0.33 0.00 1.15 0.37 0.00 0.00 175.52 177.39 1iex n MET 356 N -4.27 1.10 -1.21 6.66 0.00 -0.84 -4.65 117.12 113.91 1iex n MET 356 Ca 0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 57.70 57.58 1iex n MET 356 Cb 0.22 -1.39 -0.01 0.00 0.00 0.00 0.00 33.22 32.04 1iex n MET 356 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1iex n GLY 357 N 0.92 0.54 0.27 3.17 0.00 -0.95 -4.65 105.19 104.49 1iex n GLY 357 Ca 0.18 -0.94 -0.03 0.00 0.00 0.00 0.00 46.02 45.23 1iex n GLY 357 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1iex h LEU 358 N 0.00 0.71 -1.71 0.99 3.38 -1.62 -0.47 115.31 116.59 1iex h LEU 358 Ca -0.06 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1iex h LEU 358 Cb 0.29 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1iex h LEU 358 CO 0.08 0.49 -0.18 -0.26 0.09 0.00 0.00 178.44 178.66 1iex h PHE 359 N 0.85 0.00 0.00 1.13 -1.00 -1.89 -2.15 116.94 113.87 1iex h PHE 359 Ca 0.28 0.00 -0.25 0.00 2.81 0.00 0.00 57.97 60.81 1iex h PHE 359 Cb 0.02 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.54 1iex h PHE 359 CO -0.04 0.18 -1.52 0.93 -1.61 0.00 0.00 178.31 176.25 1iex h GLU 360 N 0.00 0.00 -2.31 1.51 3.07 -1.80 -3.41 114.58 111.64 1iex h GLU 360 Ca -0.00 0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 58.27 1iex h GLU 360 Cb 0.37 0.00 -0.40 0.00 -0.84 0.00 0.00 28.75 27.88 1iex h GLU 360 CO 0.02 0.53 -0.90 0.09 -1.40 0.00 0.00 179.01 177.35 1iex n ASN 361 N -3.07 0.96 0.21 1.42 3.02 -0.24 -4.96 115.26 112.60 1iex n ASN 361 Ca -0.13 -2.79 0.10 0.00 -0.03 0.00 0.00 54.58 51.73 1iex n ASN 361 Cb 0.99 -0.63 0.26 0.00 -0.61 0.00 0.00 39.78 39.79 1iex n ASN 361 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1iex h PRO 362 N 4.76 0.00 -6.23 3.52 0.13 -1.64 -3.43 132.00 129.12 1iex h PRO 362 Ca 0.17 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.82 1iex h PRO 362 Cb 0.84 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.94 1iex h PRO 362 CO 0.53 0.19 -0.43 0.71 -0.23 0.00 0.00 178.00 178.78 1iex s TYR 363 N -3.29 2.99 0.70 1.56 1.51 -1.26 -5.00 117.35 114.55 1iex s TYR 363 Ca 0.04 -0.26 -0.13 0.00 -1.01 0.00 0.00 57.07 55.71 1iex s TYR 363 Cb 0.07 -1.81 0.02 0.00 -0.11 0.00 0.00 41.96 40.13 1iex s TYR 363 CO 0.67 0.17 1.09 0.00 -1.11 0.00 0.00 175.55 176.36 1iex s ALA 364 N -2.25 2.47 -0.39 3.71 0.00 -1.26 -5.02 121.76 119.01 1iex s ALA 364 Ca 0.41 0.34 -0.12 0.00 0.00 0.00 0.00 51.96 52.60 1iex s ALA 364 Cb -0.07 -3.26 0.03 0.00 0.00 0.00 0.00 23.12 19.82 1iex s ALA 364 CO 0.28 -1.38 0.24 0.34 0.00 0.00 0.00 175.76 175.24 1iex s ASP 365 N -3.11 5.83 0.58 0.00 -1.08 -1.26 -4.96 116.67 112.67 1iex s ASP 365 Ca 0.63 -1.04 0.28 0.00 -0.52 0.00 0.00 52.55 51.90 1iex s ASP 365 Cb -0.17 -2.06 1.62 0.00 -1.46 0.00 0.00 42.92 40.85 1iex s ASP 365 CO 0.48 -0.43 2.10 1.55 0.52 0.00 0.00 175.17 179.39 1iex h PRO 366 N 8.49 0.00 0.00 4.34 0.13 -1.96 -1.30 132.00 141.70 1iex h PRO 366 Ca -0.26 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.83 1iex h PRO 366 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1iex h PRO 366 CO 0.70 0.00 -0.20 0.00 -0.23 0.00 0.00 178.00 178.27 1iex h ALA 367 N 1.78 1.05 0.00 -0.56 0.00 -1.98 -3.01 119.26 116.54 1iex h ALA 367 Ca 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1iex h ALA 367 Cb 0.50 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1iex h ALA 367 CO -0.00 0.25 0.00 -1.33 0.00 0.00 0.00 179.25 178.17 1iex n MET 368 N -3.41 0.17 -0.26 0.00 2.81 -0.49 -3.75 117.12 112.19 1iex n MET 368 Ca -0.00 0.31 0.14 0.00 -1.81 0.00 0.00 57.70 56.34 1iex n MET 368 Cb 0.39 -1.77 0.41 0.00 -0.71 0.00 0.00 33.22 31.55 1iex n MET 368 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1iex h ALA 369 N 2.42 1.92 0.00 3.04 0.00 -1.67 -0.89 119.26 124.09 1iex h ALA 369 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1iex h ALA 369 Cb 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1iex h ALA 369 CO 0.00 -0.19 0.00 0.39 0.00 0.00 0.00 179.25 179.45 1iex n GLU 370 N -4.56 0.02 0.22 0.00 -0.58 -1.25 -2.51 120.64 111.98 1iex n GLU 370 Ca 0.18 0.36 0.11 0.00 -0.42 0.00 0.00 57.16 57.39 1iex n GLU 370 Cb 0.54 -1.55 0.37 0.00 -0.57 0.00 0.00 31.44 30.22 1iex n GLU 370 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1iex h GLN 371 N 0.00 0.00 -6.26 3.49 1.08 -1.43 -3.41 115.11 108.58 1iex h GLN 371 Ca 0.00 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.65 1iex h GLN 371 Cb 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 1iex h GLN 371 CO 0.00 0.18 1.23 -1.17 -0.95 0.00 0.00 178.83 178.12 1iex s LEU 372 N -6.47 4.16 -1.71 1.46 2.96 -1.05 -2.94 118.68 115.10 1iex s LEU 372 Ca 0.03 2.29 -0.01 0.00 -0.22 0.00 0.00 54.13 56.22 1iex s LEU 372 Cb 0.08 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.25 1iex s LEU 372 CO 0.64 -1.21 0.19 0.61 -1.32 0.00 0.00 176.35 175.26 1iex n GLY 373 N 4.68 -0.50 3.77 7.98 0.00 -1.24 -4.91 105.19 114.97 1iex n GLY 373 Ca 0.21 0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 1iex n GLY 373 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iex s LYS 374 N -5.24 3.39 0.28 1.61 -2.85 -1.15 -4.83 119.74 110.94 1iex s LYS 374 Ca 0.09 1.63 0.01 0.00 -1.00 0.00 0.00 55.97 56.71 1iex s LYS 374 Cb -0.04 -2.04 0.62 0.00 -2.06 0.00 0.00 37.83 34.31 1iex s LYS 374 CO 0.12 -0.83 1.73 0.37 0.10 0.00 0.00 175.35 176.84 1iex h GLN 375 N 1.28 0.51 -0.97 1.78 5.75 -1.94 -0.60 115.11 120.91 1iex h GLN 375 Ca -0.50 -0.03 0.10 0.00 -0.15 0.00 0.00 58.65 58.07 1iex h GLN 375 Cb 1.26 -0.11 -0.07 0.00 1.07 0.00 0.00 27.48 29.62 1iex h GLN 375 CO 0.57 0.34 0.62 0.93 -2.65 0.00 0.00 178.83 178.64 1iex h GLU 376 N 0.52 0.98 -0.40 1.69 3.07 -1.99 0.18 114.58 118.62 1iex h GLU 376 Ca 0.51 -0.06 -0.13 0.00 -0.50 0.00 0.00 59.36 59.18 1iex h GLU 376 Cb 0.83 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.51 1iex h GLU 376 CO -0.44 0.65 -0.24 0.45 -1.40 0.00 0.00 179.01 178.03 1iex h HIS 377 N 1.01 1.02 -0.53 4.33 3.86 -1.48 -2.24 115.15 121.11 1iex h HIS 377 Ca 0.46 -0.27 -0.06 0.00 -1.16 0.00 0.00 60.37 59.34 1iex h HIS 377 Cb 0.39 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.61 1iex h HIS 377 CO -0.00 1.05 0.09 0.00 0.86 0.00 0.00 177.93 179.93 1iex h ARG 378 N 0.69 0.84 -0.46 2.45 3.08 -0.84 -0.44 114.38 119.69 1iex h ARG 378 Ca 0.08 -0.19 -0.05 0.00 0.07 0.00 0.00 59.98 59.90 1iex h ARG 378 Cb 0.81 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 1iex h ARG 378 CO 0.07 0.78 0.09 -0.44 -1.07 0.00 0.00 179.97 179.40 1iex h ASP 379 N 0.80 0.65 -0.40 7.04 3.32 -0.53 0.07 116.42 127.36 1iex h ASP 379 Ca 0.17 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 57.03 1iex h ASP 379 Cb 0.36 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1iex h ASP 379 CO 0.01 0.67 -0.05 0.25 -1.72 0.00 0.00 179.24 178.39 1iex h LEU 380 N 0.68 0.75 -0.74 1.55 5.85 -0.72 -1.36 115.31 121.31 1iex h LEU 380 Ca 0.15 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.49 1iex h LEU 380 Cb 0.29 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1iex h LEU 380 CO 0.00 0.91 0.30 0.00 -0.34 0.00 0.00 178.44 179.31 1iex h ALA 381 N 0.86 0.96 -0.38 1.25 0.00 -0.68 -0.77 119.26 120.51 1iex h ALA 381 Ca 0.11 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1iex h ALA 381 Cb 0.56 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1iex h ALA 381 CO 0.03 0.58 0.21 -0.09 0.00 0.00 0.00 179.25 179.98 1iex h ARG 382 N 1.07 0.41 -0.70 0.00 2.43 -0.79 1.00 114.38 117.79 1iex h ARG 382 Ca 0.25 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.37 1iex h ARG 382 Cb 0.21 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 1iex h ARG 382 CO -0.02 0.27 0.33 1.49 -1.51 0.00 0.00 179.97 180.53 1iex h GLU 383 N 0.42 0.99 -0.26 0.20 4.81 -0.77 -2.08 114.58 117.89 1iex h GLU 383 Ca 0.15 -0.13 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 1iex h GLU 383 Cb 0.03 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1iex h GLU 383 CO -0.09 0.77 -0.17 0.00 -0.73 0.00 0.00 179.01 178.79 1iex h ALA 384 N 1.38 0.38 -0.27 2.92 0.00 -0.37 -2.34 119.26 120.95 1iex h ALA 384 Ca 0.24 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1iex h ALA 384 Cb 0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1iex h ALA 384 CO -0.03 0.28 0.17 0.00 0.00 0.00 0.00 179.25 179.67 1iex h ALA 385 N 0.72 0.34 -0.59 0.00 0.00 -0.65 -2.01 119.26 117.05 1iex h ALA 385 Ca 0.05 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1iex h ALA 385 Cb 0.70 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1iex h ALA 385 CO 0.05 -0.21 0.38 -0.09 0.00 0.00 0.00 179.25 179.38 1iex h ARG 386 N 0.35 0.74 0.00 0.00 1.12 -1.35 -2.12 114.38 113.11 1iex h ARG 386 Ca 0.10 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.93 1iex h ARG 386 Cb -0.03 -0.17 0.00 0.00 -0.01 0.00 0.00 29.97 29.77 1iex h ARG 386 CO -0.03 0.49 0.00 1.63 -3.11 0.00 0.00 179.97 178.94 1iex n LYS 387 N -4.71 0.07 0.01 0.20 5.02 -0.89 -2.94 118.16 114.94 1iex n LYS 387 Ca 0.05 0.23 0.12 0.00 -2.02 0.00 0.00 58.31 56.69 1iex n LYS 387 Cb 0.05 -1.62 0.16 0.00 -0.02 0.00 0.00 35.03 33.60 1iex n LYS 387 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1iex n SER 388 N -1.75 0.60 -4.73 4.39 3.41 -0.77 -3.82 113.62 110.95 1iex n SER 388 Ca 0.04 -0.30 -0.41 0.00 -0.26 0.00 0.00 58.87 57.94 1iex n SER 388 Cb 0.25 0.43 -0.03 0.00 -0.26 0.00 0.00 64.21 64.59 1iex n SER 388 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1iex s LEU 389 N -3.29 4.42 -0.22 1.04 1.43 -1.15 -4.82 118.68 116.08 1iex s LEU 389 Ca 0.09 2.28 -0.02 0.00 -1.03 0.00 0.00 54.13 55.45 1iex s LEU 389 Cb 0.16 -3.60 0.01 0.00 0.03 0.00 0.00 46.19 42.80 1iex s LEU 389 CO 0.74 -0.48 -0.09 -0.69 0.23 0.00 0.00 176.35 176.06 1iex s VAL 390 N 0.31 2.82 -0.34 -1.59 1.01 -0.25 -2.98 120.40 119.39 1iex s VAL 390 Ca 0.57 -0.85 -0.27 0.00 0.00 0.00 0.00 61.98 61.43 1iex s VAL 390 Cb -0.34 -2.34 0.01 0.00 0.00 0.00 0.00 36.38 33.72 1iex s VAL 390 CO 0.35 0.34 0.96 -0.22 0.00 0.00 0.00 175.10 176.54 1iex s LEU 391 N 1.36 3.98 -0.06 3.92 2.96 -1.26 -0.56 118.68 129.02 1iex s LEU 391 Ca 0.03 0.79 0.19 0.00 -0.22 0.00 0.00 54.13 54.92 1iex s LEU 391 Cb -0.15 -3.35 -0.24 0.00 0.50 0.00 0.00 46.19 42.95 1iex s LEU 391 CO -0.06 -0.83 0.44 0.18 -1.32 0.00 0.00 176.35 174.76 1iex n LEU 392 N 6.72 0.26 -3.65 -0.68 4.77 -0.70 -1.27 117.00 122.44 1iex n LEU 392 Ca 0.09 0.11 -0.10 0.00 -0.03 0.00 0.00 56.01 56.07 1iex n LEU 392 Cb 0.48 0.20 -0.08 0.00 -2.33 0.00 0.00 43.42 41.69 1iex n LEU 392 CO 0.57 0.21 0.30 -0.75 -1.33 0.00 0.00 177.39 176.40 1iex s LYS 393 N -2.99 0.68 -0.43 3.23 2.20 -1.19 -4.90 119.74 116.34 1iex s LYS 393 Ca -0.07 1.02 0.05 0.00 -0.36 0.00 0.00 55.97 56.61 1iex s LYS 393 Cb 0.10 0.21 0.18 0.00 -1.51 0.00 0.00 37.83 36.81 1iex s LYS 393 CO 0.85 -0.13 0.38 -1.71 -0.36 0.00 0.00 175.35 174.39 1iex n ASN 394 N 3.63 -0.11 0.00 1.43 5.15 -1.26 -1.40 115.26 122.70 1iex n ASN 394 Ca -0.18 -2.48 0.00 0.00 -0.60 0.00 0.00 54.58 51.32 1iex n ASN 394 Cb 0.57 -0.58 0.00 0.00 -0.53 0.00 0.00 39.78 39.24 1iex n ASN 394 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1iex n GLY 395 N 2.57 3.93 0.33 8.20 0.00 0.41 -4.50 105.19 116.13 1iex n GLY 395 Ca 0.28 -1.29 -0.05 0.00 0.00 0.00 0.00 46.02 44.95 1iex n GLY 395 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iex h LYS 396 N 0.00 1.16 -5.54 1.61 1.57 -1.83 -3.44 116.57 110.10 1iex h LYS 396 Ca 0.00 -0.17 -0.46 0.00 -1.87 0.00 0.00 60.65 58.15 1iex h LYS 396 Cb 0.00 -0.21 -0.14 0.00 0.08 0.00 0.00 32.23 31.96 1iex h LYS 396 CO 0.00 0.89 -0.72 0.95 -0.57 0.00 0.00 179.45 180.01 1iex s THR 397 N -5.70 1.70 -1.07 -0.16 -4.23 -1.26 -5.02 115.64 99.90 1iex s THR 397 Ca -0.13 -2.19 0.06 0.00 -1.18 0.00 0.00 61.69 58.25 1iex s THR 397 Cb 0.16 -2.14 0.06 0.00 1.34 0.00 0.00 72.50 71.91 1iex s THR 397 CO 0.82 -0.52 1.16 -1.54 -0.54 0.00 0.00 174.62 174.00 1iex n SER 398 N -0.43 0.00 -0.44 3.99 3.41 -1.26 -1.20 113.62 117.70 1iex n SER 398 Ca -0.07 0.45 0.09 0.00 -0.26 0.00 0.00 58.87 59.07 1iex n SER 398 Cb 0.61 -0.46 0.01 0.00 -0.26 0.00 0.00 64.21 64.10 1iex n SER 398 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1iex n THR 399 N -1.46 0.00 -1.85 6.66 -2.24 -1.26 -4.99 114.28 109.14 1iex n THR 399 Ca 0.02 -0.34 -0.32 0.00 -2.27 0.00 0.00 64.05 61.14 1iex n THR 399 Cb 0.07 1.23 0.03 0.00 -2.10 0.00 0.00 70.33 69.55 1iex n THR 399 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1iex s ASP 400 N -1.98 5.47 0.40 3.42 1.11 -0.34 -5.02 116.67 119.74 1iex s ASP 400 Ca 0.15 1.83 -0.24 0.00 0.18 0.00 0.00 52.55 54.48 1iex s ASP 400 Cb 0.14 -2.53 -0.09 0.00 1.07 0.00 0.00 42.92 41.51 1iex s ASP 400 CO 0.42 -1.38 1.04 0.00 1.18 0.00 0.00 175.17 176.43 1iex s ALA 401 N -2.54 3.08 0.13 5.23 0.00 -1.26 -4.93 121.76 121.46 1iex s ALA 401 Ca 0.63 0.67 -0.31 0.00 0.00 0.00 0.00 51.96 52.96 1iex s ALA 401 Cb -0.17 -3.26 -0.08 0.00 0.00 0.00 0.00 23.12 19.61 1iex s ALA 401 CO 0.42 -0.18 1.36 -2.14 0.00 0.00 0.00 175.76 175.22 1iex s PRO 402 N -2.53 4.34 0.08 0.00 0.02 -1.26 -4.63 135.00 131.03 1iex s PRO 402 Ca 0.58 2.04 -0.11 0.00 0.02 0.00 0.00 61.00 63.53 1iex s PRO 402 Cb -0.21 -3.25 -0.22 0.00 0.02 0.00 0.00 34.50 30.85 1iex s PRO 402 CO 0.26 -0.38 1.19 1.25 -0.33 0.00 0.00 177.00 178.99 1iex h LEU 403 N 6.51 0.76 -9.61 -5.54 5.85 -1.90 -3.45 115.31 107.93 1iex h LEU 403 Ca -0.43 -0.65 -0.66 0.00 0.84 0.00 0.00 57.88 56.98 1iex h LEU 403 Cb 1.21 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 41.92 1iex h LEU 403 CO 0.84 1.46 -0.52 -0.76 -0.34 0.00 0.00 178.44 179.12 1iex s LEU 404 N -7.84 4.16 0.53 2.25 1.43 -1.26 -3.63 118.68 114.31 1iex s LEU 404 Ca -0.08 0.33 -0.19 0.00 -1.03 0.00 0.00 54.13 53.16 1iex s LEU 404 Cb 0.07 -2.20 -0.07 0.00 0.03 0.00 0.00 46.19 44.03 1iex s LEU 404 CO 0.91 0.34 1.05 -2.16 0.23 0.00 0.00 176.35 176.72 1iex s PRO 405 N -1.36 3.61 0.32 1.29 0.04 -1.26 -5.02 135.00 132.62 1iex s PRO 405 Ca 0.19 1.31 -0.11 0.00 0.04 0.00 0.00 61.00 62.43 1iex s PRO 405 Cb -0.12 -2.07 -0.07 0.00 0.04 0.00 0.00 34.50 32.28 1iex s PRO 405 CO 0.09 -0.58 0.68 -0.51 0.04 0.00 0.00 177.00 176.72 1iex s LEU 406 N -3.86 4.02 0.26 -3.56 1.43 -0.50 -4.91 118.68 111.57 1iex s LEU 406 Ca 0.66 1.09 -0.29 0.00 -1.03 0.00 0.00 54.13 54.56 1iex s LEU 406 Cb -0.16 -3.90 -0.09 0.00 0.03 0.00 0.00 46.19 42.06 1iex s LEU 406 CO 0.26 -0.23 0.95 -2.16 0.23 0.00 0.00 176.35 175.41 1iex s PRO 407 N -3.25 4.77 0.30 1.29 0.04 -1.26 -4.54 135.00 132.35 1iex s PRO 407 Ca 0.51 1.46 0.26 0.00 0.04 0.00 0.00 61.00 63.26 1iex s PRO 407 Cb -0.11 -3.14 0.78 0.00 0.04 0.00 0.00 34.50 32.07 1iex s PRO 407 CO 0.24 0.44 1.75 0.87 0.04 0.00 0.00 177.00 180.33 1iex h LYS 408 N 3.86 0.00 -4.93 4.56 1.57 -1.88 -3.42 116.57 116.33 1iex h LYS 408 Ca -0.46 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.65 1iex h LYS 408 Cb 1.20 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 33.19 1iex h LYS 408 CO 0.67 0.00 -0.76 0.21 -0.57 0.00 0.00 179.45 179.00 1iex s LYS 409 N -3.20 2.90 0.04 3.15 2.20 -1.26 -1.40 119.74 122.17 1iex s LYS 409 Ca 0.08 -0.93 -0.17 0.00 -0.36 0.00 0.00 55.97 54.59 1iex s LYS 409 Cb 0.10 -2.94 0.03 0.00 -1.51 0.00 0.00 37.83 33.51 1iex s LYS 409 CO 0.58 -0.36 0.39 0.00 -0.36 0.00 0.00 175.35 175.60 1iex s ALA 410 N 1.33 -0.95 0.11 3.13 0.00 -1.26 -5.08 121.76 119.05 1iex s ALA 410 Ca 0.01 0.26 -0.26 0.00 0.00 0.00 0.00 51.96 51.97 1iex s ALA 410 Cb -0.16 0.34 -0.08 0.00 0.00 0.00 0.00 23.12 23.22 1iex s ALA 410 CO -0.05 -0.45 1.64 -1.35 0.00 0.00 0.00 175.76 175.55 1iex h PRO 411 N 3.05 -0.42 -2.52 0.00 0.11 -1.95 -3.36 132.00 126.92 1iex h PRO 411 Ca -0.31 0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.73 1iex h PRO 411 Cb 1.20 0.09 -0.23 0.00 0.11 0.00 0.00 31.00 32.18 1iex h PRO 411 CO 0.44 -0.28 -0.13 0.21 -0.21 0.00 0.00 178.00 178.03 1iex s LYS 412 N -6.07 0.59 0.17 1.05 2.20 -1.26 -2.21 119.74 114.21 1iex s LYS 412 Ca -0.15 0.70 0.04 0.00 -0.36 0.00 0.00 55.97 56.20 1iex s LYS 412 Cb 0.08 0.28 -0.05 0.00 -1.51 0.00 0.00 37.83 36.64 1iex s LYS 412 CO 0.65 -0.07 -0.06 0.96 -0.36 0.00 0.00 175.35 176.48 1iex s ILE 413 N 0.29 1.04 -0.09 5.43 -4.36 -0.30 -0.89 121.20 122.32 1iex s ILE 413 Ca -0.00 -2.04 0.04 0.00 -0.26 0.00 0.00 60.65 58.39 1iex s ILE 413 Cb -0.04 -2.03 -0.00 0.00 1.25 0.00 0.00 42.46 41.64 1iex s ILE 413 CO 0.00 -0.59 -0.24 -0.22 0.24 0.00 0.00 174.94 174.14 1iex s LEU 414 N -3.21 2.13 -0.18 0.37 2.96 -0.80 -2.01 118.68 117.94 1iex s LEU 414 Ca 0.21 -0.53 -0.01 0.00 -0.22 0.00 0.00 54.13 53.58 1iex s LEU 414 Cb 0.04 -1.41 0.00 0.00 0.50 0.00 0.00 46.19 45.32 1iex s LEU 414 CO 0.03 0.19 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.43 1iex s VAL 415 N 0.18 2.69 0.18 1.68 1.01 -0.54 -0.40 120.40 125.20 1iex s VAL 415 Ca -0.14 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.10 1iex s VAL 415 Cb -0.17 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1iex s VAL 415 CO 0.07 0.49 0.08 0.00 0.00 0.00 0.00 175.10 175.75 1iex s ALA 416 N 1.17 1.15 0.00 5.51 0.00 -0.09 -2.24 121.76 127.27 1iex s ALA 416 Ca 0.02 -1.62 0.00 0.00 0.00 0.00 0.00 51.96 50.35 1iex s ALA 416 Cb -0.14 1.04 0.00 0.00 0.00 0.00 0.00 23.12 24.02 1iex s ALA 416 CO -0.05 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 175.62 1iex n GLY 417 N -0.23 2.99 0.26 0.00 0.00 -0.66 -1.21 105.19 106.35 1iex n GLY 417 Ca -0.02 -1.82 0.11 0.00 0.00 0.00 0.00 46.02 44.29 1iex n GLY 417 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1iex h SER 418 N 0.00 0.00 -0.49 1.61 4.64 -1.66 -2.90 113.55 114.75 1iex h SER 418 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1iex h SER 418 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1iex h SER 418 CO 0.00 0.13 0.00 1.41 -0.87 0.00 0.00 176.83 177.50 1iex n HIS 419 N -3.77 0.64 0.17 4.77 8.25 -0.73 -4.49 115.22 120.06 1iex n HIS 419 Ca -0.02 -0.38 0.05 0.00 -0.26 0.00 0.00 57.72 57.11 1iex n HIS 419 Cb 0.23 -0.01 0.17 0.00 1.12 0.00 0.00 29.99 31.50 1iex n HIS 419 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1iex h ALA 420 N 3.74 0.81 -1.32 -1.41 0.00 -1.62 -3.38 119.26 116.08 1iex h ALA 420 Ca 0.00 -0.36 -0.40 0.00 0.00 0.00 0.00 54.91 54.16 1iex h ALA 420 Cb 0.90 -0.06 -0.35 0.00 0.00 0.00 0.00 17.79 18.27 1iex h ALA 420 CO 0.00 0.49 -1.05 -3.47 0.00 0.00 0.00 179.25 175.22 1iex n ASP 421 N -3.29 0.47 -3.43 0.00 2.03 -1.26 -0.66 116.55 110.41 1iex n ASP 421 Ca 0.01 -2.96 -0.21 0.00 0.52 0.00 0.00 54.79 52.16 1iex n ASP 421 Cb 0.63 -0.19 -0.10 0.00 -0.72 0.00 0.00 41.12 40.74 1iex n ASP 421 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1iex s ASN 422 N -2.43 2.09 0.26 1.67 3.84 -1.26 -4.96 114.94 114.15 1iex s ASN 422 Ca 0.33 -1.29 -0.03 0.00 0.21 0.00 0.00 52.86 52.08 1iex s ASN 422 Cb 0.38 0.22 0.44 0.00 -0.55 0.00 0.00 41.25 41.74 1iex s ASN 422 CO -0.04 -0.35 1.83 0.25 -2.79 0.00 0.00 177.10 176.00 1iex h LEU 423 N 7.79 0.81 -0.46 3.21 5.85 -1.92 -2.39 115.31 128.19 1iex h LEU 423 Ca -0.07 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1iex h LEU 423 Cb 1.04 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 1iex h LEU 423 CO 0.31 0.46 0.31 1.23 -0.34 0.00 0.00 178.44 180.41 1iex h GLY 424 N 0.92 0.65 1.34 3.75 0.00 -1.21 -2.05 103.07 106.47 1iex h GLY 424 Ca 0.43 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.46 1iex h GLY 424 CO -0.24 0.23 0.11 -0.97 0.00 0.00 0.00 176.54 175.68 1iex h TYR 425 N 0.62 0.86 0.00 5.60 0.99 -1.56 -2.01 116.97 121.47 1iex h TYR 425 Ca 0.17 -0.08 -0.03 0.00 2.00 0.00 0.00 58.73 60.79 1iex h TYR 425 Cb -0.07 -0.25 -0.00 0.00 1.00 0.00 0.00 36.73 37.41 1iex h TYR 425 CO -0.05 0.73 -0.14 0.37 -0.00 0.00 0.00 178.16 179.07 1iex h GLN 426 N 0.79 0.00 0.00 4.88 4.15 -0.94 -3.06 115.11 120.93 1iex h GLN 426 Ca 0.17 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.44 1iex h GLN 426 Cb 0.32 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.98 1iex h GLN 426 CO 0.00 0.14 -1.71 0.00 -1.93 0.00 0.00 178.83 175.33 1iex n GLY 428 N 1.41 -0.60 3.47 0.00 0.00 -0.80 -4.75 105.19 103.92 1iex n GLY 428 Ca -0.12 -1.09 -0.28 0.00 0.00 0.00 0.00 46.02 44.53 1iex n GLY 428 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1iex s GLY 429 N -2.84 1.53 -1.34 -0.02 0.00 -1.25 -4.08 107.32 99.33 1iex s GLY 429 Ca 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 44.72 44.49 1iex s GLY 429 CO 0.00 0.56 0.80 0.79 0.00 0.00 0.00 173.10 175.25 1iex n TRP 430 N -5.01 -2.06 -3.58 1.90 7.02 -0.82 -4.81 117.44 110.08 1iex n TRP 430 Ca 0.03 0.87 -0.26 0.00 -1.02 0.00 0.00 57.50 57.12 1iex n TRP 430 Cb 0.55 -4.44 -0.16 0.00 -2.42 0.00 0.00 31.31 24.84 1iex n TRP 430 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1iex s THR 431 N -3.56 -0.10 0.00 -0.99 2.01 -1.26 -4.74 115.64 107.00 1iex s THR 431 Ca 0.14 -0.34 0.00 0.00 0.31 0.00 0.00 61.69 61.80 1iex s THR 431 Cb -0.07 -0.70 0.00 0.00 0.01 0.00 0.00 72.50 71.74 1iex s THR 431 CO 0.80 -0.41 0.00 -0.38 -0.69 0.00 0.00 174.62 173.94 1iex n ILE 432 N 5.27 0.00 -3.72 1.82 2.08 0.12 -4.32 119.36 120.61 1iex n ILE 432 Ca -0.07 0.00 -0.20 0.00 0.56 0.00 0.00 62.75 63.04 1iex n ILE 432 Cb 0.47 0.00 -0.02 0.00 -0.75 0.00 0.00 39.64 39.34 1iex n ILE 432 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1iex s GLU 433 N 0.00 2.96 0.09 0.38 0.41 -1.26 -3.90 118.70 117.39 1iex s GLU 433 Ca 0.00 -1.11 -0.26 0.00 -0.41 0.00 0.00 54.97 53.19 1iex s GLU 433 Cb 0.00 -2.66 -0.13 0.00 -1.78 0.00 0.00 34.13 29.56 1iex s GLU 433 CO 0.00 0.14 1.69 2.35 -0.49 0.00 0.00 175.26 178.95 1iex h TRP 434 N 1.12 -0.37 -0.04 1.61 7.01 -1.86 -2.69 115.95 120.74 1iex h TRP 434 Ca -0.46 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.54 1iex h TRP 434 Cb 1.25 0.14 0.00 0.00 -2.10 0.00 0.00 29.16 28.45 1iex h TRP 434 CO 0.48 -0.22 0.00 1.04 -2.79 0.00 0.00 178.44 176.96 1iex n GLN 435 N -5.26 1.41 0.00 2.65 1.13 -1.26 -1.94 117.38 114.10 1iex n GLN 435 Ca -0.08 -0.60 0.00 0.00 -1.94 0.00 0.00 57.00 54.38 1iex n GLN 435 Cb 0.18 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 29.09 1iex n GLN 435 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1iex n GLY 436 N 1.07 -2.39 3.79 1.08 0.00 -1.01 -3.48 105.19 104.24 1iex n GLY 436 Ca 0.19 -1.62 -0.09 0.00 0.00 0.00 0.00 46.02 44.50 1iex n GLY 436 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iex s ASP 437 N -2.74 0.05 0.09 1.61 2.15 -1.26 -4.66 116.67 111.91 1iex s ASP 437 Ca 0.00 -1.17 0.05 0.00 0.43 0.00 0.00 52.55 51.86 1iex s ASP 437 Cb 0.00 0.85 -0.04 0.00 -0.30 0.00 0.00 42.92 43.43 1iex s ASP 437 CO 0.00 -1.68 -0.02 0.28 -0.17 0.00 0.00 175.17 173.57 1iex s THR 438 N -2.31 3.87 0.00 1.71 -1.32 -1.26 -3.78 115.64 112.55 1iex s THR 438 Ca 0.16 -1.03 0.00 0.00 -1.21 0.00 0.00 61.69 59.61 1iex s THR 438 Cb -0.05 -2.83 0.00 0.00 -1.51 0.00 0.00 72.50 68.11 1iex s THR 438 CO 0.12 0.14 0.00 0.61 -2.21 0.00 0.00 174.62 173.27 1iex n GLY 439 N 0.66 -1.72 3.47 6.08 0.00 -1.26 -4.64 105.19 107.78 1iex n GLY 439 Ca -0.12 -1.66 -0.44 0.00 0.00 0.00 0.00 46.02 43.81 1iex n GLY 439 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1iex s ARG 440 N 0.00 3.91 0.20 1.61 3.52 -1.26 -0.92 118.95 126.01 1iex s ARG 440 Ca 0.00 -2.21 0.24 0.00 -0.13 0.00 0.00 55.73 53.63 1iex s ARG 440 Cb 0.00 -5.07 0.44 0.00 -1.56 0.00 0.00 34.95 28.76 1iex s ARG 440 CO 0.00 -1.83 1.46 1.79 -0.81 0.00 0.00 175.30 175.92 1iex h THR 441 N 5.20 0.00 -1.32 4.11 1.35 -1.94 -3.49 112.91 116.82 1iex h THR 441 Ca 0.27 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 1iex h THR 441 Cb 0.93 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 1iex h THR 441 CO 1.23 0.00 0.00 1.07 -0.25 0.00 0.00 175.52 177.57 1iex n THR 442 N -2.37 0.00 -3.40 6.82 5.66 -1.26 -4.92 114.28 114.81 1iex n THR 442 Ca 0.04 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.66 1iex n THR 442 Cb 0.46 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.17 1iex n THR 442 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1iex s VAL 443 N -2.39 5.21 -0.03 1.08 1.01 -1.26 -4.96 120.40 119.05 1iex s VAL 443 Ca 0.00 0.70 -0.11 0.00 0.00 0.00 0.00 61.98 62.57 1iex s VAL 443 Cb 0.00 -3.72 0.04 0.00 0.00 0.00 0.00 36.38 32.69 1iex s VAL 443 CO 0.00 0.27 0.50 0.61 0.00 0.00 0.00 175.10 176.48 1iex n GLY 444 N 3.83 0.29 3.09 4.51 0.00 -1.26 -4.88 105.19 110.76 1iex n GLY 444 Ca -0.09 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 1iex n GLY 444 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iex s THR 445 N -2.01 1.68 0.79 2.61 2.01 -0.12 -5.01 115.64 115.59 1iex s THR 445 Ca 0.12 -0.74 -0.11 0.00 0.31 0.00 0.00 61.69 61.27 1iex s THR 445 Cb -0.00 -1.52 0.08 0.00 0.01 0.00 0.00 72.50 71.07 1iex s THR 445 CO -0.01 0.48 1.14 0.42 -0.69 0.00 0.00 174.62 175.96 1iex s THR 446 N 1.01 2.07 0.29 -0.82 -4.23 -1.26 -1.40 115.64 111.30 1iex s THR 446 Ca -0.05 -0.08 -0.01 0.00 -1.18 0.00 0.00 61.69 60.37 1iex s THR 446 Cb -0.15 -3.00 0.19 0.00 1.34 0.00 0.00 72.50 70.89 1iex s THR 446 CO -0.03 0.00 1.87 0.40 -0.54 0.00 0.00 174.62 176.32 1iex h ILE 447 N -0.96 1.22 -0.32 2.99 2.04 -1.83 -0.26 117.51 120.39 1iex h ILE 447 Ca -0.45 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 64.72 1iex h ILE 447 Cb 1.32 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1iex h ILE 447 CO 0.63 0.27 0.11 0.25 0.00 0.00 0.00 178.15 179.40 1iex h LEU 448 N 0.90 0.46 -1.16 1.44 5.85 -1.25 -1.40 115.31 120.14 1iex h LEU 448 Ca 0.21 -0.20 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 1iex h LEU 448 Cb 0.16 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1iex h LEU 448 CO -0.02 0.53 -0.27 -0.33 -0.34 0.00 0.00 178.44 178.02 1iex h GLU 449 N 0.36 0.25 -0.29 1.25 5.08 -1.75 -2.33 114.58 117.15 1iex h GLU 449 Ca 0.10 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 1iex h GLU 449 Cb 0.23 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1iex h GLU 449 CO -0.00 0.51 -0.02 0.00 -1.00 0.00 0.00 179.01 178.49 1iex h ALA 450 N 1.50 0.40 -0.08 3.43 0.00 -0.75 -2.22 119.26 121.54 1iex h ALA 450 Ca 0.04 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1iex h ALA 450 Cb 0.60 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1iex h ALA 450 CO 0.04 0.17 0.05 0.28 0.00 0.00 0.00 179.25 179.79 1iex h VAL 451 N 0.31 1.05 0.00 0.00 2.07 -1.01 -2.01 116.25 116.65 1iex h VAL 451 Ca 0.08 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1iex h VAL 451 Cb 0.47 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1iex h VAL 451 CO 0.02 0.04 -0.07 0.11 0.02 0.00 0.00 177.57 177.69 1iex h LYS 452 N 0.08 0.00 0.00 1.57 1.57 -1.42 -0.28 116.57 118.09 1iex h LYS 452 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1iex h LYS 452 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1iex h LYS 452 CO -0.01 0.07 -0.14 0.00 -0.57 0.00 0.00 179.45 178.80 1iex n ALA 453 N -2.44 2.48 -0.08 3.86 0.00 -0.84 -4.12 120.51 119.36 1iex n ALA 453 Ca -0.03 -0.10 -0.07 0.00 0.00 0.00 0.00 53.44 53.24 1iex n ALA 453 Cb 0.15 -1.40 -0.14 0.00 0.00 0.00 0.00 19.45 18.07 1iex n ALA 453 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iex n ALA 454 N -1.73 1.65 -1.69 0.00 0.00 -0.19 -5.03 120.51 113.51 1iex n ALA 454 Ca 0.05 -1.12 -0.31 0.00 0.00 0.00 0.00 53.44 52.07 1iex n ALA 454 Cb 0.41 -0.16 0.05 0.00 0.00 0.00 0.00 19.45 19.75 1iex n ALA 454 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1iex s VAL 455 N -2.49 3.84 0.41 0.00 -7.23 -0.74 -4.96 120.40 109.22 1iex s VAL 455 Ca -0.09 0.60 -0.26 0.00 -1.81 0.00 0.00 61.98 60.42 1iex s VAL 455 Cb 0.06 -3.44 -0.09 0.00 0.56 0.00 0.00 36.38 33.47 1iex s VAL 455 CO 0.73 -0.78 1.31 -0.62 -0.31 0.00 0.00 175.10 175.44 1iex s ASP 456 N -4.02 6.27 0.64 4.85 -1.08 -0.49 -4.89 116.67 117.95 1iex s ASP 456 Ca 0.58 2.68 0.35 0.00 -0.52 0.00 0.00 52.55 55.64 1iex s ASP 456 Cb -0.13 -2.64 1.89 0.00 -1.46 0.00 0.00 42.92 40.58 1iex s ASP 456 CO 0.54 -0.88 2.06 1.55 0.52 0.00 0.00 175.17 178.96 1iex h PRO 457 N 2.65 0.00 0.00 4.34 0.13 -1.95 0.17 132.00 137.34 1iex h PRO 457 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1iex h PRO 457 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1iex h PRO 457 CO 0.62 0.00 -0.36 -1.13 -0.23 0.00 0.00 178.00 176.91 1iex n SER 458 N -2.91 0.37 -4.68 1.44 3.41 -1.26 -4.84 113.62 105.15 1iex n SER 458 Ca -0.02 -0.02 -0.43 0.00 -0.26 0.00 0.00 58.87 58.14 1iex n SER 458 Cb 0.25 0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.20 1iex n SER 458 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1iex s THR 459 N -3.01 4.67 -0.25 6.66 2.01 0.05 -4.83 115.64 120.94 1iex s THR 459 Ca 0.12 1.96 -0.23 0.00 0.31 0.00 0.00 61.69 63.85 1iex s THR 459 Cb 0.18 -4.26 -0.01 0.00 0.01 0.00 0.00 72.50 68.41 1iex s THR 459 CO 0.65 -0.04 0.74 -0.69 -0.69 0.00 0.00 174.62 174.59 1iex s VAL 460 N 2.35 4.90 -0.26 3.82 1.01 -0.94 -4.91 120.40 126.37 1iex s VAL 460 Ca 0.49 1.35 -0.08 0.00 0.00 0.00 0.00 61.98 63.74 1iex s VAL 460 Cb -0.19 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 1iex s VAL 460 CO 0.16 -0.03 0.10 -0.69 0.00 0.00 0.00 175.10 174.63 1iex s VAL 461 N 2.69 4.55 -0.12 2.92 1.01 -1.26 -1.15 120.40 129.04 1iex s VAL 461 Ca 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 1iex s VAL 461 Cb -0.15 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 1iex s VAL 461 CO 0.08 0.32 -0.08 -0.69 0.00 0.00 0.00 175.10 174.72 1iex s VAL 462 N 1.65 3.51 -0.09 2.92 1.01 -0.85 -5.01 120.40 123.55 1iex s VAL 462 Ca 0.07 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.55 1iex s VAL 462 Cb -0.15 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 1iex s VAL 462 CO 0.05 0.54 -0.12 0.12 0.00 0.00 0.00 175.10 175.69 1iex s PHE 463 N -0.03 2.79 -0.18 5.22 5.36 -1.26 -1.47 117.98 128.41 1iex s PHE 463 Ca -0.01 -0.32 -0.05 0.00 -0.96 0.00 0.00 56.93 55.58 1iex s PHE 463 Cb -0.14 -1.73 0.09 0.00 -0.34 0.00 0.00 43.02 40.90 1iex s PHE 463 CO 0.03 0.05 0.34 0.00 -1.46 0.00 0.00 175.22 174.18 1iex s ALA 464 N -0.29 -0.88 0.11 11.12 0.00 -0.95 -5.00 121.76 125.87 1iex s ALA 464 Ca 0.02 1.13 -0.18 0.00 0.00 0.00 0.00 51.96 52.94 1iex s ALA 464 Cb -0.13 -1.27 -0.05 0.00 0.00 0.00 0.00 23.12 21.67 1iex s ALA 464 CO 0.03 -0.82 1.62 1.49 0.00 0.00 0.00 175.76 178.08 1iex h GLU 465 N 8.22 0.46 -1.97 0.00 4.81 -1.84 -3.23 114.58 121.02 1iex h GLU 465 Ca -0.16 -0.10 -0.53 0.00 -0.13 0.00 0.00 59.36 58.44 1iex h GLU 465 Cb 1.12 -0.07 -0.36 0.00 0.63 0.00 0.00 28.75 30.07 1iex h GLU 465 CO 0.16 0.51 -1.00 0.09 -0.73 0.00 0.00 179.01 178.04 1iex n ASN 466 N -4.70 -0.40 -4.80 1.04 3.02 -1.26 -1.65 115.26 106.52 1iex n ASN 466 Ca -0.02 -2.62 -0.34 0.00 -0.03 0.00 0.00 54.58 51.57 1iex n ASN 466 Cb 0.16 -0.37 -0.02 0.00 -0.61 0.00 0.00 39.78 38.95 1iex n ASN 466 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1iex s PRO 467 N -0.54 3.62 0.49 3.52 0.04 -1.26 -5.06 135.00 135.82 1iex s PRO 467 Ca 0.34 1.36 -0.03 0.00 0.04 0.00 0.00 61.00 62.71 1iex s PRO 467 Cb 0.12 -2.07 -0.01 0.00 0.04 0.00 0.00 34.50 32.58 1iex s PRO 467 CO -0.15 -0.58 0.76 0.16 0.04 0.00 0.00 177.00 177.23 1iex s ASP 468 N -2.14 5.88 0.23 6.66 1.47 -1.26 -4.76 116.67 122.75 1iex s ASP 468 Ca 0.67 0.56 -0.07 0.00 1.18 0.00 0.00 52.55 54.90 1iex s ASP 468 Cb -0.17 -1.77 0.40 0.00 -0.34 0.00 0.00 42.92 41.04 1iex s ASP 468 CO 0.25 -0.76 1.70 0.00 0.68 0.00 0.00 175.17 177.04 1iex h ALA 469 N 0.21 0.88 0.00 2.11 0.00 -1.97 -2.25 119.26 118.24 1iex h ALA 469 Ca -0.46 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1iex h ALA 469 Cb 1.24 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1iex h ALA 469 CO 0.60 -0.31 0.00 1.05 0.00 0.00 0.00 179.25 180.59 1iex h GLU 470 N 0.29 0.00 -0.56 0.00 4.11 -1.95 -2.38 114.58 114.09 1iex h GLU 470 Ca 0.38 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.70 1iex h GLU 470 Cb 0.61 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1iex h GLU 470 CO -0.46 0.00 -0.08 0.35 0.07 0.00 0.00 179.01 178.89 1iex h PHE 471 N 0.00 1.15 -0.11 2.06 3.57 -1.80 -2.47 116.94 119.35 1iex h PHE 471 Ca 0.00 -0.23 -0.05 0.00 3.53 0.00 0.00 57.97 61.22 1iex h PHE 471 Cb 0.68 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.12 1iex h PHE 471 CO 0.00 1.05 -0.13 0.28 -2.23 0.00 0.00 178.31 177.28 1iex h VAL 472 N 0.93 1.36 -0.60 1.41 2.07 -1.42 -2.51 116.25 117.51 1iex h VAL 472 Ca 0.15 -1.32 -0.03 0.00 0.82 0.00 0.00 66.70 66.32 1iex h VAL 472 Cb 0.65 1.98 -0.03 0.00 -1.52 0.00 0.00 31.29 32.36 1iex h VAL 472 CO 0.04 0.38 0.26 0.11 0.02 0.00 0.00 177.57 178.38 1iex h LYS 473 N -0.12 0.85 -0.01 1.57 1.57 -1.42 -2.76 116.57 116.25 1iex h LYS 473 Ca 0.02 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1iex h LYS 473 Cb 0.67 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1iex h LYS 473 CO 0.03 0.69 -0.15 -1.13 -0.57 0.00 0.00 179.45 178.31 1iex n SER 474 N -4.34 1.36 0.23 0.86 3.41 -0.93 -4.23 113.62 109.99 1iex n SER 474 Ca 0.05 -1.22 0.15 0.00 -0.26 0.00 0.00 58.87 57.59 1iex n SER 474 Cb 0.15 0.09 0.46 0.00 -0.26 0.00 0.00 64.21 64.65 1iex n SER 474 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1iex h GLY 475 N 4.88 0.00 -4.39 5.00 0.00 -1.13 -3.48 103.07 103.95 1iex h GLY 475 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 1iex h GLY 475 CO 0.00 0.00 -0.49 0.61 0.00 0.00 0.00 176.54 176.66 1iex n GLY 476 N 0.51 -0.09 3.86 4.60 0.00 -1.26 -5.02 105.19 107.80 1iex n GLY 476 Ca 0.02 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1iex n GLY 476 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1iex s PHE 477 N -3.23 3.51 0.07 1.61 0.40 -1.26 -4.65 117.98 114.43 1iex s PHE 477 Ca 0.27 0.91 -0.13 0.00 -0.60 0.00 0.00 56.93 57.38 1iex s PHE 477 Cb -0.12 -2.27 -0.24 0.00 0.51 0.00 0.00 43.02 40.90 1iex s PHE 477 CO 0.50 0.37 1.17 0.77 0.70 0.00 0.00 175.22 178.73 1iex h SER 478 N 3.08 0.87 -5.23 1.36 0.02 -1.40 -3.49 113.55 108.76 1iex h SER 478 Ca -0.48 -0.73 0.11 0.00 -0.84 0.00 0.00 61.79 59.85 1iex h SER 478 Cb 1.18 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 63.41 1iex h SER 478 CO 0.68 1.54 0.43 -0.72 -1.14 0.00 0.00 176.83 177.61 1iex s TYR 479 N -3.20 -0.02 0.01 3.45 -0.85 -1.26 -4.66 117.35 110.82 1iex s TYR 479 Ca -0.09 -0.42 -0.02 0.00 -0.52 0.00 0.00 57.07 56.01 1iex s TYR 479 Cb 0.07 0.72 -0.01 0.00 0.38 0.00 0.00 41.96 43.11 1iex s TYR 479 CO 0.92 -1.09 0.02 0.00 -1.52 0.00 0.00 175.55 173.88 1iex s ALA 480 N -2.83 -0.03 -0.16 9.51 0.00 -0.94 -1.90 121.76 125.42 1iex s ALA 480 Ca 0.16 -0.41 -0.00 0.00 0.00 0.00 0.00 51.96 51.71 1iex s ALA 480 Cb -0.03 0.12 -0.00 0.00 0.00 0.00 0.00 23.12 23.21 1iex s ALA 480 CO 0.06 -0.16 -0.14 0.42 0.00 0.00 0.00 175.76 175.93 1iex s ILE 481 N -1.34 2.71 -0.10 0.00 1.01 0.47 -1.45 121.20 122.50 1iex s ILE 481 Ca -0.15 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 59.79 1iex s ILE 481 Cb -0.09 -2.16 0.00 0.00 0.01 0.00 0.00 42.46 40.23 1iex s ILE 481 CO -0.00 0.51 -0.21 -0.69 0.00 0.00 0.00 174.94 174.54 1iex s VAL 482 N 0.91 1.86 -0.15 2.92 1.01 -0.78 -0.91 120.40 125.27 1iex s VAL 482 Ca -0.03 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.07 1iex s VAL 482 Cb -0.15 -1.63 0.01 0.00 0.00 0.00 0.00 36.38 34.62 1iex s VAL 482 CO -0.01 0.52 -0.21 0.00 0.00 0.00 0.00 175.10 175.39 1iex s ALA 483 N 0.47 2.27 0.27 5.51 0.00 -0.35 -0.18 121.76 129.75 1iex s ALA 483 Ca -0.17 -1.12 -0.01 0.00 0.00 0.00 0.00 51.96 50.67 1iex s ALA 483 Cb -0.17 -1.03 -0.02 0.00 0.00 0.00 0.00 23.12 21.89 1iex s ALA 483 CO 0.07 -0.09 0.29 0.14 0.00 0.00 0.00 175.76 176.16 1iex s VAL 484 N 0.90 0.00 -5.00 0.00 -7.23 -0.99 -1.77 120.40 106.32 1iex s VAL 484 Ca -0.05 -1.84 0.00 0.00 -1.81 0.00 0.00 61.98 58.28 1iex s VAL 484 Cb -0.15 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.30 1iex s VAL 484 CO -0.04 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.36 1iex n GLY 485 N -0.44 -0.31 3.83 2.32 0.00 -1.26 -1.09 105.19 108.24 1iex n GLY 485 Ca 0.03 -1.29 -0.31 0.00 0.00 0.00 0.00 46.02 44.45 1iex n GLY 485 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iex s GLU 486 N -2.00 2.77 0.38 1.61 2.02 -0.44 -4.35 118.70 118.69 1iex s GLU 486 Ca 0.00 0.80 0.02 0.00 0.02 0.00 0.00 54.97 55.82 1iex s GLU 486 Cb 0.00 -1.98 -0.01 0.00 0.10 0.00 0.00 34.13 32.23 1iex s GLU 486 CO 0.00 -1.18 0.56 -1.01 0.02 0.00 0.00 175.26 173.66 1iex s HIS 487 N -3.12 3.26 0.46 1.61 3.76 -1.26 -4.87 115.29 115.14 1iex s HIS 487 Ca 0.58 0.10 -0.25 0.00 -0.15 0.00 0.00 55.06 55.35 1iex s HIS 487 Cb -0.14 -2.08 -0.08 0.00 1.11 0.00 0.00 32.58 31.40 1iex s HIS 487 CO 0.54 -0.10 1.36 -2.14 -0.85 0.00 0.00 174.74 173.55 1iex s PRO 488 N -4.35 3.66 0.03 8.40 0.02 -1.26 -4.92 135.00 136.58 1iex s PRO 488 Ca 0.44 2.27 -0.27 0.00 0.02 0.00 0.00 61.00 63.46 1iex s PRO 488 Cb -0.10 -2.59 0.08 0.00 0.02 0.00 0.00 34.50 31.91 1iex s PRO 488 CO 0.35 -0.78 0.69 1.52 -0.33 0.00 0.00 177.00 178.44 1iex s TYR 489 N -1.26 -0.57 -0.02 6.54 -0.85 -1.23 -4.86 117.35 115.10 1iex s TYR 489 Ca 0.62 0.69 -0.03 0.00 -0.52 0.00 0.00 57.07 57.83 1iex s TYR 489 Cb -0.40 0.48 0.00 0.00 0.38 0.00 0.00 41.96 42.42 1iex s TYR 489 CO 0.51 -0.68 0.08 0.99 -1.52 0.00 0.00 175.55 174.92 1iex s THR 490 N -2.39 0.03 0.00 -3.49 2.01 -1.26 -3.80 115.64 106.74 1iex s THR 490 Ca -0.04 -0.27 0.00 0.00 0.31 0.00 0.00 61.69 61.69 1iex s THR 490 Cb -0.01 -0.21 0.00 0.00 0.01 0.00 0.00 72.50 72.30 1iex s THR 490 CO -0.02 -0.15 0.00 -0.62 -0.69 0.00 0.00 174.62 173.14 1iex n GLU 491 N 2.51 0.00 -0.35 4.92 1.02 -1.26 -2.83 120.64 124.66 1iex n GLU 491 Ca -0.16 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.12 1iex n GLU 491 Cb 0.58 0.00 0.33 0.00 -0.02 0.00 0.00 31.44 32.33 1iex n GLU 491 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1iex h THR 492 N 0.00 0.65 0.00 2.62 2.02 -1.95 0.39 112.91 116.64 1iex h THR 492 Ca 0.00 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1iex h THR 492 Cb 0.00 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.31 1iex h THR 492 CO 0.00 0.13 0.00 0.29 0.37 0.00 0.00 175.52 176.31 1iex n LYS 493 N -4.82 0.07 0.11 6.66 5.02 -1.13 -0.62 118.16 123.45 1iex n LYS 493 Ca 0.24 0.57 0.12 0.00 -2.02 0.00 0.00 58.31 57.22 1iex n LYS 493 Cb 0.61 -1.75 0.05 0.00 -0.02 0.00 0.00 35.03 33.92 1iex n LYS 493 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1iex h GLY 494 N 0.00 0.00 -5.55 0.72 0.00 -0.29 -3.45 103.07 94.49 1iex h GLY 494 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 1iex h GLY 494 CO 0.00 0.00 1.17 1.22 0.00 0.00 0.00 176.54 178.93 1iex n ASP 495 N -2.62 3.84 -3.79 0.19 8.00 0.21 -3.91 116.55 118.46 1iex n ASP 495 Ca 0.01 0.93 -0.18 0.00 0.71 0.00 0.00 54.79 56.26 1iex n ASP 495 Cb 0.53 -1.45 -0.17 0.00 -0.02 0.00 0.00 41.12 40.01 1iex n ASP 495 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1iex s ASN 496 N 4.29 0.69 0.15 -2.24 3.84 -0.78 -4.93 114.94 115.96 1iex s ASN 496 Ca 0.91 -0.02 0.22 0.00 0.21 0.00 0.00 52.86 54.18 1iex s ASN 496 Cb -0.56 -0.25 -0.08 0.00 -0.55 0.00 0.00 41.25 39.82 1iex s ASN 496 CO 0.47 -0.13 0.92 0.18 -2.79 0.00 0.00 177.10 175.74 1iex n LEU 497 N 4.42 0.66 -0.05 3.21 4.77 -1.26 -4.39 117.00 124.36 1iex n LEU 497 Ca -0.21 0.25 -0.10 0.00 -0.03 0.00 0.00 56.01 55.92 1iex n LEU 497 Cb 0.50 -0.05 -0.15 0.00 -2.33 0.00 0.00 43.42 41.40 1iex n LEU 497 CO 0.19 -0.14 -0.77 -0.46 -1.33 0.00 0.00 177.39 174.87 1iex n ASN 498 N -2.57 0.70 -3.88 -1.43 0.23 -1.26 -4.98 115.26 102.06 1iex n ASN 498 Ca -0.01 0.25 -0.27 0.00 -0.53 0.00 0.00 54.58 54.03 1iex n ASN 498 Cb 0.55 0.22 0.01 0.00 -2.08 0.00 0.00 39.78 38.49 1iex n ASN 498 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1iex n LEU 499 N -2.98 -2.57 -4.31 -4.53 4.77 -1.26 -4.80 117.00 101.31 1iex n LEU 499 Ca -0.24 -0.87 -0.31 0.00 -0.03 0.00 0.00 56.01 54.56 1iex n LEU 499 Cb 1.08 -2.46 -0.16 0.00 -2.33 0.00 0.00 43.42 39.55 1iex n LEU 499 CO 0.44 0.42 -0.57 0.42 -1.33 0.00 0.00 177.39 176.77 1iex s THR 500 N -3.59 2.06 0.48 -5.08 -4.23 -1.26 -1.21 115.64 102.80 1iex s THR 500 Ca 0.28 -1.11 -0.23 0.00 -1.18 0.00 0.00 61.69 59.45 1iex s THR 500 Cb -0.14 -1.71 -0.07 0.00 1.34 0.00 0.00 72.50 71.92 1iex s THR 500 CO 0.85 0.58 1.20 0.27 -0.54 0.00 0.00 174.62 176.98 1iex s ILE 501 N -0.61 2.90 0.93 2.99 -4.36 -1.26 -5.00 121.20 116.78 1iex s ILE 501 Ca 0.10 0.68 -0.11 0.00 -0.26 0.00 0.00 60.65 61.06 1iex s ILE 501 Cb -0.10 -3.34 0.15 0.00 1.25 0.00 0.00 42.46 40.42 1iex s ILE 501 CO -0.01 -0.01 1.09 -2.84 0.24 0.00 0.00 174.94 173.41 1iex s PRO 502 N -2.74 0.97 0.14 0.37 0.02 -1.26 -4.87 135.00 127.63 1iex s PRO 502 Ca 0.65 0.99 0.04 0.00 0.02 0.00 0.00 61.00 62.70 1iex s PRO 502 Cb -0.31 -1.76 -0.04 0.00 0.02 0.00 0.00 34.50 32.41 1iex s PRO 502 CO 0.37 -2.48 0.16 -1.21 -0.33 0.00 0.00 177.00 173.51 1iex s GLU 503 N -4.81 3.02 0.19 5.54 0.41 -1.26 -3.46 118.70 118.33 1iex s GLU 503 Ca 0.65 -0.77 -0.30 0.00 -0.41 0.00 0.00 54.97 54.13 1iex s GLU 503 Cb -0.20 -2.74 -0.08 0.00 -1.78 0.00 0.00 34.13 29.34 1iex s GLU 503 CO 0.58 0.51 1.01 -1.25 -0.49 0.00 0.00 175.26 175.62 1iex s PRO 504 N -2.99 4.71 0.23 0.39 0.04 -1.26 -5.10 135.00 131.03 1iex s PRO 504 Ca 0.32 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1iex s PRO 504 Cb -0.11 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1iex s PRO 504 CO 0.24 0.27 0.00 0.41 0.04 0.00 0.00 177.00 177.96 1iex n GLY 505 N 1.84 -1.40 0.30 0.56 0.00 -1.23 -4.78 105.19 100.49 1iex n GLY 505 Ca 0.01 0.29 -0.07 0.00 0.00 0.00 0.00 46.02 46.25 1iex n GLY 505 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1iex h LEU 506 N 0.00 0.96 -1.08 0.99 5.85 -1.90 -2.27 115.31 117.86 1iex h LEU 506 Ca 0.00 -0.26 -0.08 0.00 0.84 0.00 0.00 57.88 58.38 1iex h LEU 506 Cb 0.00 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 1iex h LEU 506 CO 0.00 1.01 -0.22 0.77 -0.34 0.00 0.00 178.44 179.66 1iex h SER 507 N 0.91 0.38 -0.26 1.25 4.64 -1.96 -0.93 113.55 117.57 1iex h SER 507 Ca 0.17 -0.11 -0.11 0.00 -0.47 0.00 0.00 61.79 61.26 1iex h SER 507 Cb 0.53 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1iex h SER 507 CO 0.03 0.61 -0.28 0.74 -0.87 0.00 0.00 176.83 177.06 1iex h THR 508 N 0.34 1.31 -0.72 2.95 2.02 -1.83 -0.71 112.91 116.27 1iex h THR 508 Ca 0.06 -1.45 -0.04 0.00 0.77 0.00 0.00 66.41 65.74 1iex h THR 508 Cb 0.59 1.64 -0.03 0.00 -1.74 0.00 0.00 68.15 68.61 1iex h THR 508 CO 0.04 0.46 0.28 0.58 0.37 0.00 0.00 175.52 177.25 1iex h VAL 509 N 0.37 1.24 -0.19 3.16 2.07 -1.16 -1.17 116.25 120.58 1iex h VAL 509 Ca 0.04 -0.77 -0.09 0.00 0.82 0.00 0.00 66.70 66.70 1iex h VAL 509 Cb 0.84 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1iex h VAL 509 CO 0.07 0.31 -0.23 1.56 0.02 0.00 0.00 177.57 179.30 1iex h GLN 510 N 1.04 0.49 -0.42 1.57 4.20 -1.09 -0.54 115.11 120.37 1iex h GLN 510 Ca 0.24 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1iex h GLN 510 Cb 0.20 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1iex h GLN 510 CO -0.02 0.86 0.28 0.00 -0.67 0.00 0.00 178.83 179.28 1iex h ALA 511 N 0.62 0.53 0.11 3.87 0.00 -0.94 -1.16 119.26 122.30 1iex h ALA 511 Ca 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1iex h ALA 511 Cb 0.80 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1iex h ALA 511 CO 0.06 -0.02 -0.05 0.28 0.00 0.00 0.00 179.25 179.51 1iex h VAL 512 N 0.57 1.06 0.00 0.00 2.07 -1.23 -3.27 116.25 115.45 1iex h VAL 512 Ca 0.15 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 1iex h VAL 512 Cb -0.06 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1iex h VAL 512 CO -0.04 0.26 -0.05 0.00 0.02 0.00 0.00 177.57 177.77 1iex h GLY 514 N 0.87 0.00 0.00 0.00 0.00 -1.25 -3.27 103.07 99.41 1iex h GLY 514 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1iex h GLY 514 CO 0.01 0.00 -1.89 0.61 0.00 0.00 0.00 176.54 175.27 1iex n GLY 515 N 0.25 -0.87 3.48 4.60 0.00 -0.39 -5.04 105.19 107.22 1iex n GLY 515 Ca 0.01 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.45 1iex n GLY 515 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iex s VAL 516 N -3.29 0.00 0.21 1.61 0.11 -0.91 -4.67 120.40 113.46 1iex s VAL 516 Ca -0.07 0.00 -0.32 0.00 -2.93 0.00 0.00 61.98 58.66 1iex s VAL 516 Cb 0.12 -1.00 -0.13 0.00 -1.53 0.00 0.00 36.38 33.84 1iex s VAL 516 CO 0.79 0.00 1.53 -2.11 -3.33 0.00 0.00 175.10 171.99 1iex n ARG 517 N 0.22 2.23 -4.22 1.54 1.85 -1.26 -4.25 116.66 112.77 1iex n ARG 517 Ca -0.16 0.80 -0.19 0.00 -1.00 0.00 0.00 57.85 57.30 1iex n ARG 517 Cb 0.61 -2.54 -0.12 0.00 -1.05 0.00 0.00 32.46 29.36 1iex n ARG 517 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1iex s ALA 519 N -1.15 2.75 -0.20 0.00 0.00 -0.53 -2.60 121.76 120.02 1iex s ALA 519 Ca -0.01 -1.59 -0.16 0.00 0.00 0.00 0.00 51.96 50.20 1iex s ALA 519 Cb -0.09 -1.79 -0.04 0.00 0.00 0.00 0.00 23.12 21.19 1iex s ALA 519 CO 0.02 -1.02 0.40 0.99 0.00 0.00 0.00 175.76 176.15 1iex s THR 520 N 1.29 5.20 -0.33 0.00 2.01 0.55 -1.86 115.64 122.50 1iex s THR 520 Ca -0.02 0.71 -0.09 0.00 0.31 0.00 0.00 61.69 62.59 1iex s THR 520 Cb -0.18 -3.73 0.01 0.00 0.01 0.00 0.00 72.50 68.61 1iex s THR 520 CO -0.03 0.26 0.15 -0.69 -0.69 0.00 0.00 174.62 173.62 1iex s VAL 521 N 1.28 4.42 -0.32 3.82 1.01 0.74 -0.43 120.40 130.92 1iex s VAL 521 Ca 0.19 -0.65 -0.17 0.00 0.00 0.00 0.00 61.98 61.35 1iex s VAL 521 Cb -0.15 -3.34 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 1iex s VAL 521 CO 0.08 -0.04 0.47 -0.22 0.00 0.00 0.00 175.10 175.39 1iex s LEU 522 N 1.56 4.23 -0.31 3.92 2.96 0.17 -2.34 118.68 128.87 1iex s LEU 522 Ca 0.03 0.13 -0.11 0.00 -0.22 0.00 0.00 54.13 53.96 1iex s LEU 522 Cb -0.18 -2.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.94 1iex s LEU 522 CO 0.05 -0.37 0.20 -0.63 -1.32 0.00 0.00 176.35 174.28 1iex s ILE 523 N 2.28 5.08 0.16 6.68 -1.09 -0.25 -1.40 121.20 132.67 1iex s ILE 523 Ca 0.18 -0.17 -0.24 0.00 -2.23 0.00 0.00 60.65 58.19 1iex s ILE 523 Cb -0.16 -3.55 0.06 0.00 -1.58 0.00 0.00 42.46 37.24 1iex s ILE 523 CO 0.12 0.09 0.70 -0.94 -1.23 0.00 0.00 174.94 173.68 1iex s SER 524 N 1.70 -0.43 -0.02 3.58 1.04 -0.36 -1.33 113.70 117.88 1iex s SER 524 Ca 0.06 -0.18 0.19 0.00 0.48 0.00 0.00 55.95 56.50 1iex s SER 524 Cb -0.17 0.59 0.58 0.00 0.10 0.00 0.00 66.02 67.12 1iex s SER 524 CO 0.09 -1.00 1.48 0.61 0.98 0.00 0.00 173.24 175.40 1iex n GLY 525 N -0.39 2.08 3.63 7.32 0.00 -1.26 -3.44 105.19 113.13 1iex n GLY 525 Ca -0.12 -0.71 0.04 0.00 0.00 0.00 0.00 46.02 45.24 1iex n GLY 525 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1iex s ARG 526 N -1.28 0.03 0.48 1.61 1.70 -1.26 -3.57 118.95 116.67 1iex s ARG 526 Ca 0.43 -0.02 -0.23 0.00 -0.47 0.00 0.00 55.73 55.45 1iex s ARG 526 Cb 0.24 0.01 -0.07 0.00 -0.57 0.00 0.00 34.95 34.56 1iex s ARG 526 CO 0.28 -0.02 1.21 -2.14 -1.08 0.00 0.00 175.30 173.55 1iex s PRO 527 N -2.03 3.59 0.22 3.89 0.02 -1.26 -5.03 135.00 134.40 1iex s PRO 527 Ca 0.18 1.89 0.00 0.00 0.02 0.00 0.00 61.00 63.09 1iex s PRO 527 Cb 0.07 -2.36 -0.05 0.00 0.02 0.00 0.00 34.50 32.18 1iex s PRO 527 CO -0.06 -0.72 0.10 0.14 -0.33 0.00 0.00 177.00 176.12 1iex s VAL 528 N -1.49 0.33 -0.19 3.83 -7.23 -1.26 -5.03 120.40 109.37 1iex s VAL 528 Ca 0.66 -1.99 -0.31 0.00 -1.81 0.00 0.00 61.98 58.53 1iex s VAL 528 Cb -0.31 -2.50 -0.08 0.00 0.56 0.00 0.00 36.38 34.04 1iex s VAL 528 CO 0.38 -0.07 2.13 0.52 -0.31 0.00 0.00 175.10 177.74 1iex n VAL 529 N -0.35 0.41 0.09 1.32 0.31 -0.35 -4.81 118.33 114.95 1iex n VAL 529 Ca -0.00 -0.32 0.04 0.00 -0.01 0.00 0.00 64.34 64.05 1iex n VAL 529 Cb 0.66 -2.22 -0.05 0.00 -0.91 0.00 0.00 33.84 31.31 1iex n VAL 529 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1iex n VAL 530 N 6.89 0.00 -0.36 2.52 3.14 -1.26 -4.76 118.33 124.50 1iex n VAL 530 Ca 0.30 -0.21 -0.01 0.00 -2.96 0.00 0.00 64.34 61.46 1iex n VAL 530 Cb 0.37 0.50 0.05 0.00 -1.06 0.00 0.00 33.84 33.70 1iex n VAL 530 CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 1iex h GLN 531 N 0.00 -0.02 -0.50 1.45 7.50 -1.93 0.62 115.11 122.24 1iex h GLN 531 Ca 0.00 0.00 0.07 0.00 0.50 0.00 0.00 58.65 59.22 1iex h GLN 531 Cb 0.30 0.00 -0.06 0.00 0.05 0.00 0.00 27.48 27.78 1iex h GLN 531 CO 0.00 -0.01 0.18 -1.35 -1.50 0.00 0.00 178.83 176.15 1iex h PRO 532 N -0.02 0.35 -0.63 1.46 0.11 -2.00 0.70 132.00 131.98 1iex h PRO 532 Ca 0.35 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.43 1iex h PRO 532 Cb 0.60 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.60 1iex h PRO 532 CO -0.96 0.23 0.39 -0.07 -0.21 0.00 0.00 178.00 177.38 1iex h LEU 533 N 0.36 0.76 -0.80 2.35 3.38 -1.40 -2.59 115.31 117.37 1iex h LEU 533 Ca 0.24 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1iex h LEU 533 Cb 0.24 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1iex h LEU 533 CO -0.23 0.59 0.45 0.25 0.09 0.00 0.00 178.44 179.58 1iex h LEU 534 N 0.86 0.99 -0.80 1.67 5.85 -0.06 -2.61 115.31 121.21 1iex h LEU 534 Ca 0.23 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.77 1iex h LEU 534 Cb -0.03 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 1iex h LEU 534 CO -0.04 0.80 -0.04 0.00 -0.34 0.00 0.00 178.44 178.82 1iex h ALA 535 N 1.23 0.99 0.00 1.25 0.00 -0.58 -3.25 119.26 118.90 1iex h ALA 535 Ca 0.28 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 1iex h ALA 535 Cb 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1iex h ALA 535 CO -0.05 0.61 -0.82 0.00 0.00 0.00 0.00 179.25 178.99 1iex h ALA 536 N 1.16 0.49 -2.81 0.00 0.00 -1.31 -3.47 119.26 113.32 1iex h ALA 536 Ca 0.14 -0.75 -0.60 0.00 0.00 0.00 0.00 54.91 53.71 1iex h ALA 536 Cb 0.53 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1iex h ALA 536 CO 0.03 1.03 -0.48 -1.54 0.00 0.00 0.00 179.25 178.28 1iex s SER 537 N -6.64 6.36 0.14 0.00 1.04 -1.00 -4.80 113.70 108.81 1iex s SER 537 Ca 0.02 0.26 -0.05 0.00 0.48 0.00 0.00 55.95 56.66 1iex s SER 537 Cb 0.09 -1.95 -0.05 0.00 0.10 0.00 0.00 66.02 64.21 1iex s SER 537 CO 0.79 0.13 1.35 0.44 0.98 0.00 0.00 173.24 176.94 1iex h ASP 538 N 2.82 0.59 -4.05 7.02 5.19 -1.83 -3.43 116.42 122.73 1iex h ASP 538 Ca -0.46 -0.43 -0.21 0.00 -0.62 0.00 0.00 57.03 55.31 1iex h ASP 538 Cb 1.17 -0.18 -0.26 0.00 0.18 0.00 0.00 39.33 40.24 1iex h ASP 538 CO 0.74 1.20 -0.68 0.00 -3.12 0.00 0.00 179.24 177.38 1iex s ALA 539 N -3.48 -0.03 -0.04 3.45 0.00 -1.07 0.15 121.76 120.74 1iex s ALA 539 Ca -0.07 -0.08 0.01 0.00 0.00 0.00 0.00 51.96 51.82 1iex s ALA 539 Cb 0.09 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.24 1iex s ALA 539 CO 0.86 -0.05 -0.03 -1.17 0.00 0.00 0.00 175.76 175.38 1iex s LEU 540 N -0.35 1.31 -0.05 0.00 0.20 -0.50 -0.33 118.68 118.97 1iex s LEU 540 Ca -0.04 -0.09 0.06 0.00 0.69 0.00 0.00 54.13 54.76 1iex s LEU 540 Cb -0.03 -0.35 -0.01 0.00 -0.43 0.00 0.00 46.19 45.37 1iex s LEU 540 CO -0.00 -0.06 -0.24 -0.69 -0.29 0.00 0.00 176.35 175.06 1iex s VAL 541 N 0.89 2.14 -0.42 1.68 1.01 0.42 -1.72 120.40 124.40 1iex s VAL 541 Ca -0.11 -1.05 -0.16 0.00 0.00 0.00 0.00 61.98 60.66 1iex s VAL 541 Cb -0.14 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.50 1iex s VAL 541 CO -0.00 0.57 0.39 0.00 0.00 0.00 0.00 175.10 176.05 1iex s ALA 542 N -0.31 3.45 -2.06 5.51 0.00 0.28 -0.66 121.76 127.97 1iex s ALA 542 Ca 0.01 -1.59 0.19 0.00 0.00 0.00 0.00 51.96 50.57 1iex s ALA 542 Cb -0.13 -2.99 0.08 0.00 0.00 0.00 0.00 23.12 20.08 1iex s ALA 542 CO 0.02 -1.54 1.02 0.00 0.00 0.00 0.00 175.76 175.27 1iex n ALA 543 N 5.44 2.83 -0.72 0.00 0.00 -0.49 -1.09 120.51 126.47 1iex n ALA 543 Ca -0.09 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1iex n ALA 543 Cb 0.47 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.28 1iex n ALA 543 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1iex n TRP 544 N 0.56 0.00 -3.74 0.00 7.02 -1.22 -3.39 117.44 116.66 1iex n TRP 544 Ca 0.09 0.00 -0.28 0.00 -1.02 0.00 0.00 57.50 56.29 1iex n TRP 544 Cb 0.43 0.00 -0.12 0.00 -2.42 0.00 0.00 31.31 29.21 1iex n TRP 544 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1iex s LEU 545 N 0.00 3.62 0.58 -0.99 1.43 -1.22 -1.23 118.68 120.87 1iex s LEU 545 Ca 0.00 -3.44 0.28 0.00 -1.03 0.00 0.00 54.13 49.94 1iex s LEU 545 Cb 0.00 -1.24 1.54 0.00 0.03 0.00 0.00 46.19 46.52 1iex s LEU 545 CO 0.00 -0.14 1.99 1.55 0.23 0.00 0.00 176.35 179.98 1iex h PRO 546 N 5.70 0.00 0.00 1.29 0.13 -1.56 -2.72 132.00 134.84 1iex h PRO 546 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1iex h PRO 546 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1iex h PRO 546 CO 0.59 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.77 1iex n GLY 547 N -1.48 -1.10 0.22 1.56 0.00 -0.97 -3.41 105.19 100.02 1iex n GLY 547 Ca 0.06 -1.81 0.11 0.00 0.00 0.00 0.00 46.02 44.37 1iex n GLY 547 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1iex h SER 548 N 0.56 0.00 -3.21 1.61 4.64 -1.60 -3.40 113.55 112.15 1iex h SER 548 Ca 0.00 0.00 -0.78 0.00 -0.47 0.00 0.00 61.79 60.54 1iex h SER 548 Cb 0.00 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 61.84 1iex h SER 548 CO 0.00 0.13 0.66 -1.61 -0.87 0.00 0.00 176.83 175.14 1iex s GLU 549 N -3.32 4.12 0.66 4.77 0.41 -1.26 -0.94 118.70 123.13 1iex s GLU 549 Ca 0.04 -2.97 0.39 0.00 -0.41 0.00 0.00 54.97 52.02 1iex s GLU 549 Cb 0.07 -4.68 2.16 0.00 -1.78 0.00 0.00 34.13 29.90 1iex s GLU 549 CO 0.65 -1.39 2.25 0.78 -0.49 0.00 0.00 175.26 177.06 1iex h GLY 550 N 7.60 0.00 2.00 -1.39 0.00 -1.47 -2.01 103.07 107.80 1iex h GLY 550 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1iex h GLY 550 CO 1.05 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 176.53 1iex n GLN 551 N -3.16 0.10 0.05 4.80 6.02 -1.26 -1.52 117.38 122.40 1iex n GLN 551 Ca -0.02 0.46 -0.03 0.00 -0.01 0.00 0.00 57.00 57.40 1iex n GLN 551 Cb 0.16 -1.73 0.22 0.00 1.02 0.00 0.00 30.24 29.91 1iex n GLN 551 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1iex h GLY 552 N 1.26 0.41 0.63 1.08 0.00 -1.57 -1.35 103.07 103.53 1iex h GLY 552 Ca 0.00 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 1iex h GLY 552 CO 0.00 0.32 -0.14 -2.08 0.00 0.00 0.00 176.54 174.64 1iex h VAL 553 N 0.34 1.40 0.00 4.60 2.07 -1.50 -3.26 116.25 119.89 1iex h VAL 553 Ca 0.05 -1.41 -0.03 0.00 0.82 0.00 0.00 66.70 66.13 1iex h VAL 553 Cb 0.69 2.14 -0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1iex h VAL 553 CO 0.05 0.40 -0.14 0.71 0.02 0.00 0.00 177.57 178.61 1iex h THR 554 N -0.23 0.35 -0.43 2.57 1.35 -1.58 -2.40 112.91 112.54 1iex h THR 554 Ca 0.01 -0.88 -0.03 0.00 -0.55 0.00 0.00 66.41 64.95 1iex h THR 554 Cb 0.71 1.67 -0.02 0.00 -1.73 0.00 0.00 68.15 68.77 1iex h THR 554 CO 0.03 0.14 0.15 0.44 -0.25 0.00 0.00 175.52 176.03 1iex h ASP 555 N 0.00 0.56 0.60 5.36 3.32 -1.29 -1.74 116.42 123.23 1iex h ASP 555 Ca -0.00 -0.06 -0.27 0.00 0.02 0.00 0.00 57.03 56.71 1iex h ASP 555 Cb 0.65 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 40.02 1iex h ASP 555 CO 0.02 0.52 -1.56 0.00 -1.72 0.00 0.00 179.24 176.50 1iex h ALA 556 N 1.56 0.69 -0.21 3.45 0.00 -1.61 -1.27 119.26 121.87 1iex h ALA 556 Ca 0.15 -1.34 -0.14 0.00 0.00 0.00 0.00 54.91 53.57 1iex h ALA 556 Cb 0.15 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1iex h ALA 556 CO -0.01 1.51 -0.45 -0.07 0.00 0.00 0.00 179.25 180.22 1iex h LEU 557 N 0.00 0.57 -2.51 0.00 3.38 -1.17 -3.16 115.31 112.41 1iex h LEU 557 Ca -0.23 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1iex h LEU 557 Cb 1.96 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.55 1iex h LEU 557 CO 0.09 0.94 0.00 0.49 0.09 0.00 0.00 178.44 180.05 1iex n PHE 558 N -4.00 1.02 -0.98 1.13 3.01 -0.68 -1.41 117.46 115.56 1iex n PHE 558 Ca -0.02 -0.46 0.00 0.00 1.01 0.00 0.00 57.45 57.98 1iex n PHE 558 Cb 0.54 -0.08 0.00 0.00 -0.01 0.00 0.00 39.48 39.93 1iex n PHE 558 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1iex n GLY 559 N 1.36 0.52 0.20 1.37 0.00 -1.20 -3.27 105.19 104.17 1iex n GLY 559 Ca 0.22 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.28 1iex n GLY 559 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1iex h ASP 560 N 0.00 0.00 -5.23 1.61 3.32 -1.53 3.27 116.42 117.86 1iex h ASP 560 Ca 0.00 -0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 1iex h ASP 560 Cb 0.00 -0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.40 1iex h ASP 560 CO 0.00 0.28 -0.68 -0.36 -1.72 0.00 0.00 179.24 176.76 1iex s PHE 561 N -4.42 0.55 0.41 4.55 0.40 -1.02 -4.59 117.98 113.86 1iex s PHE 561 Ca -0.03 -1.08 0.01 0.00 -0.60 0.00 0.00 56.93 55.24 1iex s PHE 561 Cb 0.15 -0.40 -0.01 0.00 0.51 0.00 0.00 43.02 43.27 1iex s PHE 561 CO 0.71 -0.38 0.61 0.20 0.70 0.00 0.00 175.22 177.06 1iex s GLY 562 N -2.93 1.53 0.12 4.36 0.00 -1.26 -4.45 107.32 104.68 1iex s GLY 562 Ca 0.08 -1.10 -0.30 0.00 0.00 0.00 0.00 44.72 43.40 1iex s GLY 562 CO -0.09 -0.96 1.05 -1.36 0.00 0.00 0.00 173.10 171.73 1iex s PHE 563 N -2.45 3.66 0.00 1.90 0.40 -1.25 -4.88 117.98 115.36 1iex s PHE 563 Ca 0.46 1.64 0.00 0.00 -0.60 0.00 0.00 56.93 58.44 1iex s PHE 563 Cb -0.10 -3.20 0.00 0.00 0.51 0.00 0.00 43.02 40.24 1iex s PHE 563 CO 0.36 -0.33 0.00 0.25 0.70 0.00 0.00 175.22 176.20 1iex n THR 564 N 2.92 0.00 -1.76 0.64 -2.24 -1.26 -3.74 114.28 108.84 1iex n THR 564 Ca 0.04 -0.14 -0.35 0.00 -2.27 0.00 0.00 64.05 61.33 1iex n THR 564 Cb 0.48 0.84 0.06 0.00 -2.10 0.00 0.00 70.33 69.61 1iex n THR 564 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1iex s GLY 565 N -0.40 2.54 0.01 3.38 0.00 -1.16 -4.99 107.32 106.70 1iex s GLY 565 Ca 0.00 0.92 0.01 0.00 0.00 0.00 0.00 44.72 45.65 1iex s GLY 565 CO 0.00 1.32 -0.05 0.50 0.00 0.00 0.00 173.10 174.87 1iex s ARG 566 N -3.63 0.35 -0.02 2.90 0.52 -0.77 -4.60 118.95 113.69 1iex s ARG 566 Ca 0.75 -0.35 -0.37 0.00 -0.52 0.00 0.00 55.73 55.25 1iex s ARG 566 Cb -0.29 -0.23 -0.16 0.00 0.52 0.00 0.00 34.95 34.79 1iex s ARG 566 CO 0.39 0.05 1.53 1.28 0.02 0.00 0.00 175.30 178.58 1iex n LEU 567 N 2.43 2.20 -0.04 2.53 4.77 0.28 -4.31 117.00 124.86 1iex n LEU 567 Ca -0.17 1.09 0.11 0.00 -0.03 0.00 0.00 56.01 57.02 1iex n LEU 567 Cb 0.57 -1.22 0.14 0.00 -2.33 0.00 0.00 43.42 40.58 1iex n LEU 567 CO 0.24 -0.69 0.31 -0.81 -1.33 0.00 0.00 177.39 175.11 1iex n PRO 568 N 3.81 0.11 -4.29 3.23 -0.04 -1.26 -1.52 135.00 135.04 1iex n PRO 568 Ca 0.21 -0.08 -0.15 0.00 -0.04 0.00 0.00 63.50 63.44 1iex n PRO 568 Cb 0.19 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.05 1iex n PRO 568 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1iex s ARG 569 N -2.94 1.33 0.09 0.54 0.52 -1.26 -3.28 118.95 113.96 1iex s ARG 569 Ca 0.11 -1.71 -0.24 0.00 -0.52 0.00 0.00 55.73 53.38 1iex s ARG 569 Cb 0.17 -0.22 -0.07 0.00 0.52 0.00 0.00 34.95 35.36 1iex s ARG 569 CO 0.73 -0.27 0.73 0.99 0.02 0.00 0.00 175.30 177.50 1iex s THR 570 N -3.77 4.60 -0.36 0.02 2.01 -1.26 -4.20 115.64 112.67 1iex s THR 570 Ca 0.35 1.58 -0.12 0.00 0.31 0.00 0.00 61.69 63.81 1iex s THR 570 Cb 0.07 -4.08 0.01 0.00 0.01 0.00 0.00 72.50 68.51 1iex s THR 570 CO 0.12 0.46 0.22 0.86 -0.69 0.00 0.00 174.62 175.59 1iex s TRP 571 N -0.63 3.23 0.73 4.92 -0.11 -0.75 -4.90 118.94 121.42 1iex s TRP 571 Ca 0.36 -0.64 -0.11 0.00 1.22 0.00 0.00 56.10 56.92 1iex s TRP 571 Cb -0.21 -2.47 0.03 0.00 -1.50 0.00 0.00 33.47 29.32 1iex s TRP 571 CO 0.23 -0.54 1.07 -0.59 -4.62 0.00 0.00 176.95 172.51 1iex s PHE 572 N 1.63 2.99 -0.05 5.86 -0.12 -1.26 -0.45 117.98 126.58 1iex s PHE 572 Ca 0.04 1.37 -0.06 0.00 -0.05 0.00 0.00 56.93 58.23 1iex s PHE 572 Cb -0.18 -2.95 -0.29 0.00 -0.63 0.00 0.00 43.02 38.97 1iex s PHE 572 CO 0.08 -1.42 0.67 0.87 -0.05 0.00 0.00 175.22 175.37 1iex h LYS 573 N -0.85 0.30 -3.16 1.99 1.57 -1.90 -3.40 116.57 111.13 1iex h LYS 573 Ca -0.45 -0.52 -0.05 0.00 -1.87 0.00 0.00 60.65 57.76 1iex h LYS 573 Cb 1.23 0.19 -0.14 0.00 0.08 0.00 0.00 32.23 33.59 1iex h LYS 573 CO 0.57 1.19 -0.01 -1.54 -0.57 0.00 0.00 179.45 179.09 1iex s SER 574 N -7.08 -0.34 0.55 0.86 1.04 -1.26 -4.93 113.70 102.54 1iex s SER 574 Ca -0.14 -0.13 0.30 0.00 0.48 0.00 0.00 55.95 56.46 1iex s SER 574 Cb 0.06 0.49 1.60 0.00 0.10 0.00 0.00 66.02 68.27 1iex s SER 574 CO 0.84 -0.82 2.12 -0.37 0.98 0.00 0.00 173.24 175.99 1iex h VAL 575 N 2.47 0.46 0.00 5.02 -1.51 -1.93 -2.61 116.25 118.15 1iex h VAL 575 Ca -0.33 -0.40 0.00 0.00 -1.23 0.00 0.00 66.70 64.74 1iex h VAL 575 Cb 1.25 1.27 0.00 0.00 -2.13 0.00 0.00 31.29 31.68 1iex h VAL 575 CO 0.44 0.08 0.00 -0.90 -1.23 0.00 0.00 177.57 175.96 1iex n ASP 576 N -3.57 0.00 0.04 4.19 5.68 -1.26 -1.98 116.55 119.66 1iex n ASP 576 Ca -0.02 -1.25 0.12 0.00 -0.50 0.00 0.00 54.79 53.14 1iex n ASP 576 Cb 0.20 0.00 0.19 0.00 -1.14 0.00 0.00 41.12 40.37 1iex n ASP 576 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1iex n GLN 577 N -0.80 0.22 -2.74 0.11 6.02 -0.98 -4.92 117.38 114.28 1iex n GLN 577 Ca 0.13 0.06 -0.39 0.00 -0.01 0.00 0.00 57.00 56.79 1iex n GLN 577 Cb 0.06 -1.64 -0.06 0.00 1.02 0.00 0.00 30.24 29.62 1iex n GLN 577 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1iex s LEU 578 N -3.92 4.52 0.37 1.08 1.43 -0.84 -3.70 118.68 117.62 1iex s LEU 578 Ca 0.07 1.93 -0.24 0.00 -1.03 0.00 0.00 54.13 54.86 1iex s LEU 578 Cb 0.14 -3.78 -0.10 0.00 0.03 0.00 0.00 46.19 42.49 1iex s LEU 578 CO 0.72 0.04 0.98 -2.16 0.23 0.00 0.00 176.35 176.16 1iex s PRO 579 N -1.55 4.36 -0.24 1.29 0.04 -1.26 -5.07 135.00 132.57 1iex s PRO 579 Ca 0.45 1.35 -0.03 0.00 0.04 0.00 0.00 61.00 62.81 1iex s PRO 579 Cb -0.23 -2.59 0.11 0.00 0.04 0.00 0.00 34.50 31.83 1iex s PRO 579 CO 0.29 0.07 0.23 1.41 0.04 0.00 0.00 177.00 179.04 1iex s MET 580 N -2.43 0.23 0.24 4.56 1.75 -1.24 -5.11 119.30 117.30 1iex s MET 580 Ca 0.55 0.01 0.11 0.00 -1.25 0.00 0.00 55.69 55.12 1iex s MET 580 Cb -0.18 -1.06 -0.05 0.00 2.84 0.00 0.00 34.83 36.39 1iex s MET 580 CO 0.23 -0.81 -0.20 -0.80 -0.65 0.00 0.00 175.02 172.79 1iex s ASN 581 N 2.31 3.36 -0.19 1.11 -0.87 -1.26 -4.86 114.94 114.54 1iex s ASN 581 Ca 0.08 -0.98 -0.37 0.00 -1.57 0.00 0.00 52.86 50.02 1iex s ASN 581 Cb -0.15 -0.26 -0.13 0.00 -0.02 0.00 0.00 41.25 40.68 1iex s ASN 581 CO -0.21 0.03 1.84 1.33 -2.57 0.00 0.00 177.10 177.52 1iex n VAL 582 N -0.32 0.44 0.00 1.60 0.24 -1.26 -1.67 118.33 117.37 1iex n VAL 582 Ca -0.08 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 1iex n VAL 582 Cb 0.59 -1.58 0.00 0.00 -1.47 0.00 0.00 33.84 31.38 1iex n VAL 582 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1iex n GLY 583 N 4.43 3.53 3.26 7.63 0.00 -1.26 -5.10 105.19 117.68 1iex n GLY 583 Ca 0.25 -1.05 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 1iex n GLY 583 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iex n ASP 584 N 0.00 -2.44 0.03 1.61 8.00 -0.67 -4.95 116.55 118.13 1iex n ASP 584 Ca 0.00 -0.08 -0.22 0.00 0.71 0.00 0.00 54.79 55.20 1iex n ASP 584 Cb 0.00 -0.94 -0.14 0.00 -0.02 0.00 0.00 41.12 40.02 1iex n ASP 584 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1iex h ALA 585 N -1.94 0.14 -0.03 2.24 0.00 -1.99 -3.32 119.26 114.34 1iex h ALA 585 Ca -0.52 -1.05 -0.01 0.00 0.00 0.00 0.00 54.91 53.33 1iex h ALA 585 Cb 1.36 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 1iex h ALA 585 CO 0.37 0.81 0.02 -2.39 0.00 0.00 0.00 179.25 178.05 1iex n HIS 586 N -3.88 0.11 -2.00 0.00 1.44 -1.26 -4.85 115.22 104.78 1iex n HIS 586 Ca -0.24 -0.41 -0.35 0.00 -2.01 0.00 0.00 57.72 54.71 1iex n HIS 586 Cb 0.93 -0.23 -0.04 0.00 0.12 0.00 0.00 29.99 30.77 1iex n HIS 586 CO 0.00 0.00 0.00 -0.47 -2.81 0.00 0.00 176.34 173.06 1iex s TYR 587 N -0.38 1.64 -0.42 -1.40 5.04 -1.25 -4.86 117.35 115.72 1iex s TYR 587 Ca 0.02 0.83 0.03 0.00 -2.44 0.00 0.00 57.07 55.51 1iex s TYR 587 Cb 0.02 -4.03 0.16 0.00 0.35 0.00 0.00 41.96 38.46 1iex s TYR 587 CO 0.00 -2.17 0.32 0.34 -1.34 0.00 0.00 175.55 172.70 1iex s ASP 588 N 8.42 2.09 0.56 4.32 2.15 -1.26 -5.09 116.67 127.85 1iex s ASP 588 Ca 0.70 -2.92 -0.04 0.00 0.43 0.00 0.00 52.55 50.72 1iex s ASP 588 Cb -0.11 -0.54 0.01 0.00 -0.30 0.00 0.00 42.92 41.97 1iex s ASP 588 CO 0.16 -0.20 0.84 -2.16 -0.17 0.00 0.00 175.17 173.63 1iex s PRO 589 N 0.17 2.88 0.01 4.34 0.04 -1.26 -4.58 135.00 136.61 1iex s PRO 589 Ca 0.29 -0.21 -0.18 0.00 0.04 0.00 0.00 61.00 60.93 1iex s PRO 589 Cb -0.04 -2.36 -0.33 0.00 0.04 0.00 0.00 34.50 31.81 1iex s PRO 589 CO -0.14 -0.62 0.99 1.25 0.04 0.00 0.00 177.00 178.52 1iex h LEU 590 N -0.03 0.72 -7.63 -3.56 5.85 -0.97 -3.45 115.31 106.24 1iex h LEU 590 Ca -0.45 -0.91 -0.29 0.00 0.84 0.00 0.00 57.88 57.07 1iex h LEU 590 Cb 1.26 -0.23 -0.32 0.00 0.37 0.00 0.00 40.66 41.74 1iex h LEU 590 CO 0.59 1.57 -0.73 -0.36 -0.34 0.00 0.00 178.44 179.17 1iex s PHE 591 N -2.63 0.11 0.41 1.25 0.40 -1.08 -5.04 117.98 111.40 1iex s PHE 591 Ca -0.11 0.05 -0.07 0.00 -0.60 0.00 0.00 56.93 56.20 1iex s PHE 591 Cb 0.03 -0.20 -0.05 0.00 0.51 0.00 0.00 43.02 43.31 1iex s PHE 591 CO 0.90 -0.06 0.73 -0.98 0.70 0.00 0.00 175.22 176.51 1iex s ARG 592 N 0.65 3.65 0.22 0.44 1.70 -1.26 -1.81 118.95 122.54 1iex s ARG 592 Ca -0.06 0.26 -0.32 0.00 -0.47 0.00 0.00 55.73 55.14 1iex s ARG 592 Cb -0.08 -2.44 -0.13 0.00 -0.57 0.00 0.00 34.95 31.73 1iex s ARG 592 CO -0.02 -0.05 1.48 -0.11 -1.08 0.00 0.00 175.30 175.53 1iex n LEU 593 N -1.62 3.25 0.00 -1.89 0.00 -1.26 -1.12 117.00 114.37 1iex n LEU 593 Ca 0.01 1.12 0.00 0.00 0.00 0.00 0.00 56.01 57.14 1iex n LEU 593 Cb 0.54 -1.45 0.00 0.00 0.00 0.00 0.00 43.42 42.52 1iex n LEU 593 CO 0.50 -0.35 0.00 0.61 0.00 0.00 0.00 177.39 178.15 1iex n GLY 594 N 2.54 0.70 3.77 -3.96 0.00 -0.58 -4.97 105.19 102.69 1iex n GLY 594 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1iex n GLY 594 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1iex s TYR 595 N -2.19 2.88 0.00 1.61 5.04 -0.27 -4.45 117.35 119.96 1iex s TYR 595 Ca 0.00 1.52 0.00 0.00 -2.44 0.00 0.00 57.07 56.15 1iex s TYR 595 Cb 0.00 -3.42 0.00 0.00 0.35 0.00 0.00 41.96 38.89 1iex s TYR 595 CO 0.00 -1.58 0.00 0.41 -1.34 0.00 0.00 175.55 173.04 1iex n GLY 596 N 0.51 1.75 3.87 8.97 0.00 -1.26 -0.56 105.19 118.47 1iex n GLY 596 Ca 0.07 0.38 -0.31 0.00 0.00 0.00 0.00 46.02 46.16 1iex n GLY 596 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iex s LEU 597 N 0.00 3.09 0.32 0.99 1.43 -0.39 -4.96 118.68 119.16 1iex s LEU 597 Ca 0.00 1.32 0.03 0.00 -1.03 0.00 0.00 54.13 54.45 1iex s LEU 597 Cb 0.00 -4.26 -0.05 0.00 0.03 0.00 0.00 46.19 41.91 1iex s LEU 597 CO 0.00 -1.09 0.09 0.42 0.23 0.00 0.00 176.35 176.00 1iex s THR 598 N -3.24 0.86 0.32 5.49 -4.23 -1.26 -4.34 115.64 109.23 1iex s THR 598 Ca 0.56 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 59.02 1iex s THR 598 Cb -0.11 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 71.08 1iex s THR 598 CO 0.53 0.00 0.47 0.42 -0.54 0.00 0.00 174.62 175.50 1iex s THR 599 N -3.42 0.00 0.13 3.99 -4.23 -1.25 -4.87 115.64 105.99 1iex s THR 599 Ca 0.34 -1.56 0.10 0.00 -1.18 0.00 0.00 61.69 59.40 1iex s THR 599 Cb 0.07 -2.56 -0.04 0.00 1.34 0.00 0.00 72.50 71.31 1iex s THR 599 CO 0.15 0.00 -0.24 0.20 -0.54 0.00 0.00 174.62 174.19 1iex s ASN 600 N -3.18 3.09 1.02 3.99 -0.87 -1.26 -3.93 114.94 113.80 1iex s ASN 600 Ca 0.29 -0.76 -0.15 0.00 -1.57 0.00 0.00 52.86 50.67 1iex s ASN 600 Cb -0.00 -0.20 0.07 0.00 -0.02 0.00 0.00 41.25 41.09 1iex s ASN 600 CO 0.17 0.12 0.24 0.00 -2.57 0.00 0.00 177.10 175.06 1iex n ALA 601 N 0.82 -3.27 -0.82 0.60 0.00 -1.26 -4.72 120.51 111.86 1iex n ALA 601 Ca -0.17 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.37 1iex n ALA 601 Cb 0.54 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1iex n ALA 601 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1iex n THR 602 N -3.95 -4.35 0.00 0.00 -2.24 1.09 -4.98 114.28 99.85 1iex n THR 602 Ca 0.04 0.70 0.00 0.00 -2.27 0.00 0.00 64.05 62.52 1iex n THR 602 Cb 0.57 -2.72 0.00 0.00 -2.10 0.00 0.00 70.33 66.08 1iex n THR 602 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79