#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ih8 h MET 2 N 0.00 0.40 -0.59 4.33 -1.53 -2.03 -2.40 114.93 113.12 1ih8 h MET 2 Ca 0.00 -0.13 -0.00 0.00 -3.44 0.00 0.00 59.70 56.13 1ih8 h MET 2 Cb 0.00 -0.04 -0.03 0.00 -0.55 0.00 0.00 31.60 30.99 1ih8 h MET 2 CO 0.00 0.59 0.36 0.37 0.14 0.00 0.00 176.91 178.36 1ih8 h GLN 3 N 0.36 0.80 -0.30 0.39 4.15 -1.99 0.14 115.11 118.67 1ih8 h GLN 3 Ca 0.06 -0.07 -0.09 0.00 0.77 0.00 0.00 58.65 59.32 1ih8 h GLN 3 Cb 0.56 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 1ih8 h GLN 3 CO 0.04 0.57 -0.20 0.93 -1.93 0.00 0.00 178.83 178.24 1ih8 h GLU 4 N 0.79 0.54 -0.05 1.69 5.08 -1.88 -0.96 114.58 119.80 1ih8 h GLU 4 Ca 0.21 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1ih8 h GLU 4 Cb -0.02 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 1ih8 h GLU 4 CO -0.04 0.71 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.44 1ih8 h LYS 5 N 0.49 0.10 -0.98 2.33 3.64 -0.88 -1.95 116.57 119.32 1ih8 h LYS 5 Ca 0.08 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1ih8 h LYS 5 Cb 0.62 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.38 1ih8 h LYS 5 CO 0.04 0.48 0.64 0.82 -2.27 0.00 0.00 179.45 179.16 1ih8 h ILE 6 N -0.28 1.19 -0.53 2.00 2.04 -0.66 -0.32 117.51 120.94 1ih8 h ILE 6 Ca 0.01 -0.43 0.01 0.00 1.00 0.00 0.00 64.86 65.45 1ih8 h ILE 6 Cb 0.45 -0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.32 1ih8 h ILE 6 CO 0.01 0.23 0.34 0.24 0.00 0.00 0.00 178.15 178.97 1ih8 h MET 7 N 1.26 0.68 -0.11 2.37 2.86 -1.06 -0.47 114.93 120.46 1ih8 h MET 7 Ca 0.38 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.96 1ih8 h MET 7 Cb -0.05 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.45 1ih8 h MET 7 CO -0.11 0.45 0.01 0.00 1.06 0.00 0.00 176.91 178.32 1ih8 h ARG 8 N 0.70 0.18 -0.58 1.72 3.08 -0.76 -1.34 114.38 117.38 1ih8 h ARG 8 Ca 0.20 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.23 1ih8 h ARG 8 Cb -0.05 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 1ih8 h ARG 8 CO -0.06 0.39 0.38 0.93 -1.07 0.00 0.00 179.97 180.55 1ih8 h GLU 9 N -0.06 0.67 -0.04 0.04 5.08 -0.85 -1.51 114.58 117.91 1ih8 h GLU 9 Ca 0.03 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1ih8 h GLU 9 Cb 0.30 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1ih8 h GLU 9 CO 0.00 0.44 0.00 1.28 -1.00 0.00 0.00 179.01 179.74 1ih8 n LEU 10 N -4.46 1.69 -2.44 1.33 4.77 -0.21 -4.95 117.00 112.73 1ih8 n LEU 10 Ca 0.07 -0.58 -0.18 0.00 -0.03 0.00 0.00 56.01 55.28 1ih8 n LEU 10 Cb 0.12 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1ih8 n LEU 10 CO 0.35 0.29 -0.04 1.41 -1.33 0.00 0.00 177.39 178.07 1ih8 n HIS 11 N 0.32 -1.49 -3.13 -1.77 8.25 -0.57 -3.42 115.22 113.41 1ih8 n HIS 11 Ca 0.18 0.36 -0.36 0.00 -0.26 0.00 0.00 57.72 57.64 1ih8 n HIS 11 Cb 0.38 -3.84 -0.06 0.00 1.12 0.00 0.00 29.99 27.59 1ih8 n HIS 11 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1ih8 s VAL 12 N -3.04 4.61 -0.14 1.59 1.01 -0.59 -4.51 120.40 119.33 1ih8 s VAL 12 Ca 0.21 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.41 1ih8 s VAL 12 Cb -0.09 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 1ih8 s VAL 12 CO 0.26 0.19 -0.15 -0.54 0.00 0.00 0.00 175.10 174.86 1ih8 s LYS 13 N -2.02 3.26 0.36 2.72 1.02 -1.26 -4.80 119.74 119.02 1ih8 s LYS 13 Ca 0.43 -0.74 0.10 0.00 0.02 0.00 0.00 55.97 55.78 1ih8 s LYS 13 Cb -0.16 -2.61 0.85 0.00 -0.52 0.00 0.00 37.83 35.39 1ih8 s LYS 13 CO 0.21 0.09 1.85 -1.00 -0.92 0.00 0.00 175.35 175.57 1ih8 h PRO 14 N 7.09 0.63 -4.18 -1.68 0.13 -1.86 -3.42 132.00 128.72 1ih8 h PRO 14 Ca -0.29 -0.04 -0.29 0.00 -0.87 0.00 0.00 66.00 64.51 1ih8 h PRO 14 Cb 1.20 -0.14 -0.28 0.00 0.13 0.00 0.00 31.00 31.91 1ih8 h PRO 14 CO 0.56 0.42 -0.74 -1.54 -0.23 0.00 0.00 178.00 176.46 1ih8 s SER 15 N -5.69 0.47 0.25 1.44 1.04 -1.26 -4.91 113.70 105.03 1ih8 s SER 15 Ca -0.10 -0.12 0.07 0.00 0.48 0.00 0.00 55.95 56.28 1ih8 s SER 15 Cb 0.23 -0.04 -0.05 0.00 0.10 0.00 0.00 66.02 66.26 1ih8 s SER 15 CO 0.79 0.02 -0.09 0.27 0.98 0.00 0.00 173.24 175.21 1ih8 s ILE 16 N -0.23 1.65 -0.47 -1.02 -4.36 -1.26 -5.09 121.20 110.41 1ih8 s ILE 16 Ca 0.00 -2.16 -0.06 0.00 -0.26 0.00 0.00 60.65 58.17 1ih8 s ILE 16 Cb -0.02 -2.28 0.12 0.00 1.25 0.00 0.00 42.46 41.53 1ih8 s ILE 16 CO -0.00 -0.42 0.31 -0.62 0.24 0.00 0.00 174.94 174.45 1ih8 s ASP 17 N -3.38 5.51 0.22 4.36 3.68 -1.26 -5.00 116.67 120.80 1ih8 s ASP 17 Ca 0.27 -2.07 -0.16 0.00 2.13 0.00 0.00 52.55 52.71 1ih8 s ASP 17 Cb 0.02 -1.93 0.24 0.00 -1.45 0.00 0.00 42.92 39.80 1ih8 s ASP 17 CO 0.10 -0.60 1.57 -0.65 0.13 0.00 0.00 175.17 175.72 1ih8 h PRO 18 N 8.14 -0.05 -0.87 4.34 0.11 -1.98 0.49 132.00 142.17 1ih8 h PRO 18 Ca -0.15 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.95 1ih8 h PRO 18 Cb 1.05 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 1ih8 h PRO 18 CO 0.78 -0.03 0.49 0.87 -0.21 0.00 0.00 178.00 179.89 1ih8 h LYS 19 N -0.05 1.21 -0.23 1.05 1.57 -1.96 -1.85 116.57 116.31 1ih8 h LYS 19 Ca 0.33 -0.13 -0.14 0.00 -1.87 0.00 0.00 60.65 58.84 1ih8 h LYS 19 Cb 0.59 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1ih8 h LYS 19 CO -0.87 0.88 -0.44 0.37 -0.57 0.00 0.00 179.45 178.82 1ih8 h GLN 20 N 1.21 0.56 -0.56 3.15 5.75 -1.59 -2.33 115.11 121.31 1ih8 h GLN 20 Ca 0.31 -0.30 -0.03 0.00 -0.15 0.00 0.00 58.65 58.48 1ih8 h GLN 20 Cb 0.01 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.55 1ih8 h GLN 20 CO -0.05 0.90 0.24 0.93 -2.65 0.00 0.00 178.83 178.20 1ih8 h GLU 21 N 0.45 0.83 -0.52 1.69 4.39 -0.63 -0.68 114.58 120.12 1ih8 h GLU 21 Ca 0.03 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 1ih8 h GLU 21 Cb 0.96 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.44 1ih8 h GLU 21 CO 0.09 0.70 0.28 0.82 -1.16 0.00 0.00 179.01 179.74 1ih8 h ILE 22 N 0.77 1.18 -0.27 3.13 2.04 -1.21 -1.38 117.51 121.77 1ih8 h ILE 22 Ca 0.19 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1ih8 h ILE 22 Cb 0.17 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1ih8 h ILE 22 CO -0.02 0.19 0.10 -0.33 0.00 0.00 0.00 178.15 178.10 1ih8 h GLU 23 N 0.69 0.41 -0.42 2.37 4.39 -1.13 -0.76 114.58 120.13 1ih8 h GLU 23 Ca 0.18 -0.08 0.06 0.00 0.34 0.00 0.00 59.36 59.86 1ih8 h GLU 23 Cb 0.06 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.59 1ih8 h GLU 23 CO -0.03 0.44 0.12 -0.44 -1.16 0.00 0.00 179.01 177.95 1ih8 h ASP 24 N 0.29 0.10 -0.17 1.42 3.32 -0.88 0.13 116.42 120.63 1ih8 h ASP 24 Ca 0.09 0.06 -0.16 0.00 0.02 0.00 0.00 57.03 57.03 1ih8 h ASP 24 Cb 0.19 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 1ih8 h ASP 24 CO -0.01 0.09 -0.49 0.03 -1.72 0.00 0.00 179.24 177.14 1ih8 h ARG 25 N 0.28 0.74 -0.39 3.56 3.08 -1.14 -0.78 114.38 119.72 1ih8 h ARG 25 Ca 0.20 -0.44 -0.09 0.00 0.07 0.00 0.00 59.98 59.72 1ih8 h ARG 25 Cb 0.21 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1ih8 h ARG 25 CO -0.22 1.06 -0.10 0.28 -1.07 0.00 0.00 179.97 179.93 1ih8 h VAL 26 N 0.58 1.28 -0.67 2.04 2.07 -0.93 -2.08 116.25 118.53 1ih8 h VAL 26 Ca 0.03 -1.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.37 1ih8 h VAL 26 Cb 1.06 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 1ih8 h VAL 26 CO 0.10 0.39 0.41 0.78 0.02 0.00 0.00 177.57 179.28 1ih8 h ASN 27 N 0.56 0.79 -0.10 0.57 -0.26 -0.59 -0.80 115.58 115.74 1ih8 h ASN 27 Ca 0.10 -0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 55.79 1ih8 h ASN 27 Cb 0.62 -0.20 -0.00 0.00 -1.06 0.00 0.00 38.32 37.67 1ih8 h ASN 27 CO 0.04 0.60 0.02 0.15 -1.06 0.00 0.00 177.43 177.18 1ih8 h PHE 28 N 0.92 0.18 -0.68 1.19 3.57 -0.92 -0.50 116.94 120.69 1ih8 h PHE 28 Ca 0.24 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.79 1ih8 h PHE 28 Cb -0.06 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.57 1ih8 h PHE 28 CO 0.00 0.36 0.36 -0.07 -2.23 0.00 0.00 178.31 176.73 1ih8 h LEU 29 N -0.05 0.50 0.05 0.59 3.38 -0.79 0.23 115.31 119.21 1ih8 h LEU 29 Ca 0.03 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ih8 h LEU 29 Cb 0.27 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1ih8 h LEU 29 CO 0.00 0.31 -0.02 0.11 0.09 0.00 0.00 178.44 178.93 1ih8 h LYS 30 N 0.64 -0.06 -0.50 1.13 1.57 -0.99 -2.10 116.57 116.25 1ih8 h LYS 30 Ca 0.32 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.15 1ih8 h LYS 30 Cb 0.26 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.55 1ih8 h LYS 30 CO -0.22 0.07 0.25 1.96 -0.57 0.00 0.00 179.45 180.94 1ih8 h GLN 31 N -0.18 0.48 -0.19 3.15 4.20 -0.58 -1.16 115.11 120.84 1ih8 h GLN 31 Ca -0.01 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 1ih8 h GLN 31 Cb 0.16 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1ih8 h GLN 31 CO 0.01 0.32 0.05 -0.92 -0.67 0.00 0.00 178.83 177.62 1ih8 h TYR 32 N 0.50 0.32 -0.39 2.96 3.20 -0.91 -0.66 116.97 121.99 1ih8 h TYR 32 Ca 0.22 -0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.97 1ih8 h TYR 32 Cb 0.13 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 1ih8 h TYR 32 CO -0.10 0.43 -0.11 -0.24 -1.64 0.00 0.00 178.16 176.50 1ih8 h VAL 33 N 0.12 1.25 -0.33 1.81 3.04 -1.28 -1.69 116.25 119.17 1ih8 h VAL 33 Ca 0.06 -1.10 -0.02 0.00 -1.01 0.00 0.00 66.70 64.62 1ih8 h VAL 33 Cb 0.27 1.07 -0.01 0.00 -2.01 0.00 0.00 31.29 30.60 1ih8 h VAL 33 CO 0.00 0.37 0.12 0.11 -1.01 0.00 0.00 177.57 177.17 1ih8 h LYS 34 N 0.62 0.49 -0.20 4.17 6.56 -1.05 -0.35 116.57 126.82 1ih8 h LYS 34 Ca 0.11 -0.09 -0.01 0.00 -1.06 0.00 0.00 60.65 59.60 1ih8 h LYS 34 Cb 0.54 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 32.12 1ih8 h LYS 34 CO 0.03 0.51 0.10 -0.22 -2.06 0.00 0.00 179.45 177.81 1ih8 h LYS 35 N 0.38 0.28 0.00 3.15 1.63 -0.90 -3.07 116.57 118.05 1ih8 h LYS 35 Ca 0.11 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.85 1ih8 h LYS 35 Cb 0.20 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 31.78 1ih8 h LYS 35 CO -0.01 0.30 -0.10 1.79 -3.45 0.00 0.00 179.45 177.99 1ih8 h THR 36 N 0.19 0.20 -0.01 1.00 1.35 -1.26 -3.47 112.91 110.91 1ih8 h THR 36 Ca 0.07 -0.95 -0.01 0.00 -0.55 0.00 0.00 66.41 64.97 1ih8 h THR 36 Cb 0.11 1.80 -0.00 0.00 -1.73 0.00 0.00 68.15 68.33 1ih8 h THR 36 CO -0.01 0.09 -0.00 0.61 -0.25 0.00 0.00 175.52 175.96 1ih8 n GLY 37 N 0.50 0.47 3.73 5.82 0.00 -0.16 -5.02 105.19 110.53 1ih8 n GLY 37 Ca 0.02 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 1ih8 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ih8 s ALA 38 N -1.97 1.92 -0.96 4.61 0.00 -1.10 -4.95 121.76 119.31 1ih8 s ALA 38 Ca 0.00 0.32 0.27 0.00 0.00 0.00 0.00 51.96 52.56 1ih8 s ALA 38 Cb 0.00 -3.32 0.92 0.00 0.00 0.00 0.00 23.12 20.72 1ih8 s ALA 38 CO 0.00 -2.14 1.71 1.63 0.00 0.00 0.00 175.76 176.97 1ih8 n LYS 39 N -3.78 0.03 0.00 0.00 4.76 -0.36 -4.85 118.16 113.96 1ih8 n LYS 39 Ca 0.10 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 1ih8 n LYS 39 Cb 0.53 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 1ih8 n LYS 39 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ih8 n GLY 40 N 1.48 -0.06 3.28 0.72 0.00 -1.26 -1.23 105.19 108.13 1ih8 n GLY 40 Ca 0.06 -1.06 -0.15 0.00 0.00 0.00 0.00 46.02 44.87 1ih8 n GLY 40 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ih8 s PHE 41 N -4.00 1.39 0.00 1.61 0.40 -0.42 -0.71 117.98 116.25 1ih8 s PHE 41 Ca 0.00 -0.87 0.01 0.00 -0.60 0.00 0.00 56.93 55.47 1ih8 s PHE 41 Cb 0.00 -0.77 -0.00 0.00 0.51 0.00 0.00 43.02 42.76 1ih8 s PHE 41 CO 0.00 -0.02 -0.03 0.54 0.70 0.00 0.00 175.22 176.41 1ih8 s VAL 42 N -3.42 0.23 -0.24 -0.44 0.11 -0.25 -0.86 120.40 115.53 1ih8 s VAL 42 Ca 0.23 -0.22 -0.20 0.00 -2.93 0.00 0.00 61.98 58.86 1ih8 s VAL 42 Cb 0.04 -0.21 0.06 0.00 -1.53 0.00 0.00 36.38 34.74 1ih8 s VAL 42 CO 0.05 0.00 0.62 -0.22 -3.33 0.00 0.00 175.10 172.22 1ih8 s LEU 43 N -0.23 -0.45 0.07 2.54 2.96 -0.83 -1.99 118.68 120.76 1ih8 s LEU 43 Ca -0.01 1.27 -0.30 0.00 -0.22 0.00 0.00 54.13 54.87 1ih8 s LEU 43 Cb -0.02 2.14 -0.06 0.00 0.50 0.00 0.00 46.19 48.75 1ih8 s LEU 43 CO -0.00 -0.22 1.14 -0.83 -1.32 0.00 0.00 176.35 175.12 1ih8 s GLY 44 N 0.56 2.57 -0.39 7.98 0.00 -1.26 -1.30 107.32 115.48 1ih8 s GLY 44 Ca -0.02 0.79 -0.10 0.00 0.00 0.00 0.00 44.72 45.39 1ih8 s GLY 44 CO -0.03 1.91 0.22 -0.42 0.00 0.00 0.00 173.10 174.79 1ih8 s ILE 45 N 0.82 4.40 -0.32 0.90 -1.09 0.02 -4.83 121.20 121.10 1ih8 s ILE 45 Ca 0.56 -1.10 0.23 0.00 -2.23 0.00 0.00 60.65 58.11 1ih8 s ILE 45 Cb -0.28 -3.55 -0.01 0.00 -1.58 0.00 0.00 42.46 37.04 1ih8 s ILE 45 CO 0.30 -0.35 1.07 -1.54 -1.23 0.00 0.00 174.94 173.19 1ih8 n SER 46 N 4.96 0.79 0.00 3.58 3.41 -1.26 -4.54 113.62 120.56 1ih8 n SER 46 Ca -0.11 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1ih8 n SER 46 Cb 0.45 0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 1ih8 n SER 46 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ih8 n GLY 47 N 1.22 0.26 3.94 5.00 0.00 -1.26 -4.43 105.19 109.92 1ih8 n GLY 47 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1ih8 n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ih8 s GLY 48 N -1.56 1.62 0.14 -0.02 0.00 -1.26 -4.65 107.32 101.59 1ih8 s GLY 48 Ca 0.00 -0.94 -0.25 0.00 0.00 0.00 0.00 44.72 43.53 1ih8 s GLY 48 CO 0.00 -0.70 1.62 -1.61 0.00 0.00 0.00 173.10 172.41 1ih8 h GLN 49 N 0.08 -0.35 -0.33 2.90 4.15 -1.93 -2.51 115.11 117.11 1ih8 h GLN 49 Ca -0.45 0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.04 1ih8 h GLN 49 Cb 1.26 0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.99 1ih8 h GLN 49 CO 0.58 -0.23 0.06 -0.44 -1.93 0.00 0.00 178.83 176.87 1ih8 h ASP 50 N -0.36 0.01 0.89 -0.69 3.32 -1.94 -1.44 116.42 116.20 1ih8 h ASP 50 Ca 0.09 0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.11 1ih8 h ASP 50 Cb 0.51 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 1ih8 h ASP 50 CO -0.32 0.04 -0.43 0.77 -1.72 0.00 0.00 179.24 177.58 1ih8 h SER 51 N 0.18 0.00 -0.31 6.45 4.64 -1.88 -1.44 113.55 121.20 1ih8 h SER 51 Ca 0.16 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.42 1ih8 h SER 51 Cb 0.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1ih8 h SER 51 CO -0.21 0.43 -0.04 0.74 -0.87 0.00 0.00 176.83 176.88 1ih8 h THR 52 N 0.00 1.27 -0.00 2.95 2.02 -0.97 0.12 112.91 118.30 1ih8 h THR 52 Ca -0.00 -1.05 -0.00 0.00 0.77 0.00 0.00 66.41 66.13 1ih8 h THR 52 Cb 0.99 1.33 -0.00 0.00 -1.74 0.00 0.00 68.15 68.73 1ih8 h THR 52 CO 0.06 0.34 -0.00 0.25 0.37 0.00 0.00 175.52 176.53 1ih8 h LEU 53 N 0.35 0.01 -1.08 2.58 5.85 -1.16 -1.84 115.31 120.02 1ih8 h LEU 53 Ca 0.08 -0.39 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 1ih8 h LEU 53 Cb 0.51 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1ih8 h LEU 53 CO 0.02 0.39 0.33 0.00 -0.34 0.00 0.00 178.44 178.84 1ih8 h ALA 54 N 0.61 1.28 -0.33 1.25 0.00 -1.29 -1.71 119.26 119.08 1ih8 h ALA 54 Ca 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1ih8 h ALA 54 Cb 0.39 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1ih8 h ALA 54 CO 0.00 0.55 0.10 0.78 0.00 0.00 0.00 179.25 180.69 1ih8 h GLY 55 N 1.04 0.54 1.10 0.00 0.00 -0.71 -1.25 103.07 103.80 1ih8 h GLY 55 Ca 0.24 -0.32 -0.07 0.00 0.00 0.00 0.00 47.33 47.17 1ih8 h GLY 55 CO -0.03 0.30 0.13 -0.09 0.00 0.00 0.00 176.54 176.85 1ih8 h ARG 56 N 0.37 1.10 -0.74 4.80 9.65 -1.07 -1.46 114.38 127.04 1ih8 h ARG 56 Ca 0.11 -0.28 -0.04 0.00 -1.10 0.00 0.00 59.98 58.66 1ih8 h ARG 56 Cb 0.25 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.66 1ih8 h ARG 56 CO -0.00 0.99 0.30 -0.07 2.80 0.00 0.00 179.97 183.98 1ih8 h LEU 57 N 1.04 1.01 -0.52 3.80 3.38 -1.14 -0.95 115.31 121.92 1ih8 h LEU 57 Ca 0.21 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1ih8 h LEU 57 Cb 0.41 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1ih8 h LEU 57 CO 0.01 0.89 0.15 0.00 0.09 0.00 0.00 178.44 179.58 1ih8 h ALA 58 N 1.25 0.69 -0.58 1.53 0.00 -0.79 0.02 119.26 121.36 1ih8 h ALA 58 Ca 0.25 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1ih8 h ALA 58 Cb 0.20 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1ih8 h ALA 58 CO -0.02 0.36 0.13 0.37 0.00 0.00 0.00 179.25 180.09 1ih8 h GLN 59 N 0.72 0.94 -0.79 0.00 5.75 -0.93 -1.78 115.11 119.02 1ih8 h GLN 59 Ca 0.17 -0.23 -0.04 0.00 -0.15 0.00 0.00 58.65 58.39 1ih8 h GLN 59 Cb 0.30 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.70 1ih8 h GLN 59 CO -0.00 0.88 0.33 -0.07 -2.65 0.00 0.00 178.83 177.32 1ih8 h LEU 60 N 0.85 1.08 -0.10 -2.39 3.38 -0.95 -1.39 115.31 115.79 1ih8 h LEU 60 Ca 0.18 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1ih8 h LEU 60 Cb 0.37 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1ih8 h LEU 60 CO 0.00 0.95 0.05 0.00 0.09 0.00 0.00 178.44 179.53 1ih8 h ALA 61 N 1.21 0.12 -0.09 1.53 0.00 -0.61 -0.70 119.26 120.72 1ih8 h ALA 61 Ca 0.27 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 1ih8 h ALA 61 Cb 0.19 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1ih8 h ALA 61 CO -0.02 -0.34 -0.43 -0.39 0.00 0.00 0.00 179.25 178.07 1ih8 h VAL 62 N 0.06 1.32 -0.12 0.00 -1.51 -1.19 -1.08 116.25 113.72 1ih8 h VAL 62 Ca 0.03 -1.56 -0.11 0.00 -1.23 0.00 0.00 66.70 63.83 1ih8 h VAL 62 Cb 0.08 1.74 -0.01 0.00 -2.13 0.00 0.00 31.29 30.96 1ih8 h VAL 62 CO -0.01 0.46 -0.42 -0.33 -1.23 0.00 0.00 177.57 176.05 1ih8 h GLU 63 N 0.16 0.28 -0.26 5.19 5.08 -1.07 -1.24 114.58 122.73 1ih8 h GLU 63 Ca 0.01 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.13 1ih8 h GLU 63 Cb 0.83 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 1ih8 h GLU 63 CO 0.06 0.65 -0.25 1.03 -1.00 0.00 0.00 179.01 179.51 1ih8 h SER 64 N 0.24 0.67 -0.44 1.42 0.87 -0.68 -0.88 113.55 114.74 1ih8 h SER 64 Ca 0.02 -0.47 -0.00 0.00 -1.23 0.00 0.00 61.79 60.11 1ih8 h SER 64 Cb 0.84 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.59 1ih8 h SER 64 CO 0.07 1.00 0.26 0.40 -0.53 0.00 0.00 176.83 178.03 1ih8 h ILE 65 N 0.34 1.14 -0.48 2.23 2.04 -1.00 -1.57 117.51 120.21 1ih8 h ILE 65 Ca 0.04 -0.33 -0.06 0.00 1.00 0.00 0.00 64.86 65.52 1ih8 h ILE 65 Cb 0.81 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 1ih8 h ILE 65 CO 0.06 0.14 0.07 0.03 0.00 0.00 0.00 178.15 178.46 1ih8 h ARG 66 N 0.58 0.79 -0.77 2.37 3.08 -1.20 0.20 114.38 119.43 1ih8 h ARG 66 Ca 0.16 -0.22 0.09 0.00 0.07 0.00 0.00 59.98 60.08 1ih8 h ARG 66 Cb 0.00 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 29.91 1ih8 h ARG 66 CO -0.03 0.81 0.50 1.49 -1.07 0.00 0.00 179.97 181.67 1ih8 h GLU 67 N 0.66 0.69 -0.10 0.04 4.22 -0.83 0.31 114.58 119.57 1ih8 h GLU 67 Ca 0.14 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.54 1ih8 h GLU 67 Cb 0.40 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1ih8 h GLU 67 CO 0.01 0.46 0.00 -0.85 -2.18 0.00 0.00 179.01 176.45 1ih8 n GLU 68 N -4.50 1.49 0.00 1.92 0.28 -0.62 -4.89 120.64 114.32 1ih8 n GLU 68 Ca 0.13 -0.74 0.00 0.00 -0.16 0.00 0.00 57.16 56.39 1ih8 n GLU 68 Cb 0.31 -1.37 0.00 0.00 1.43 0.00 0.00 31.44 31.81 1ih8 n GLU 68 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ih8 n GLY 69 N 1.03 0.63 4.01 -1.84 0.00 0.10 -5.08 105.19 104.03 1ih8 n GLY 69 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 1ih8 n GLY 69 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ih8 s GLY 70 N -0.76 1.73 -0.09 -0.02 0.00 0.67 -4.96 107.32 103.89 1ih8 s GLY 70 Ca 0.00 -1.95 0.03 0.00 0.00 0.00 0.00 44.72 42.79 1ih8 s GLY 70 CO 0.00 -1.36 -0.18 0.99 0.00 0.00 0.00 173.10 172.56 1ih8 s ASP 71 N -4.78 3.67 -0.16 1.64 1.01 -1.26 -3.78 116.67 113.00 1ih8 s ASP 71 Ca 0.67 -0.38 -0.30 0.00 0.71 0.00 0.00 52.55 53.25 1ih8 s ASP 71 Cb -0.04 -1.26 0.13 0.00 1.01 0.00 0.00 42.92 42.76 1ih8 s ASP 71 CO 0.44 0.22 1.03 0.00 0.21 0.00 0.00 175.17 177.07 1ih8 s ALA 72 N 0.02 -1.95 0.05 5.23 0.00 -1.26 -4.84 121.76 119.00 1ih8 s ALA 72 Ca -0.06 1.58 -0.06 0.00 0.00 0.00 0.00 51.96 53.41 1ih8 s ALA 72 Cb -0.15 -0.69 -0.01 0.00 0.00 0.00 0.00 23.12 22.28 1ih8 s ALA 72 CO 0.05 -0.34 0.12 1.14 0.00 0.00 0.00 175.76 176.73 1ih8 s GLN 73 N -1.29 0.66 -0.11 0.00 -2.07 -0.36 -4.89 119.66 111.59 1ih8 s GLN 73 Ca 0.00 -0.81 0.01 0.00 -1.82 0.00 0.00 55.36 52.75 1ih8 s GLN 73 Cb -0.01 0.26 0.02 0.00 -1.09 0.00 0.00 33.01 32.19 1ih8 s GLN 73 CO -0.00 -0.17 -0.13 0.12 -1.32 0.00 0.00 175.29 173.78 1ih8 s PHE 74 N -2.94 1.81 -0.31 9.60 5.36 -1.26 -1.30 117.98 128.94 1ih8 s PHE 74 Ca -0.02 -0.87 -0.07 0.00 -0.96 0.00 0.00 56.93 55.01 1ih8 s PHE 74 Cb 0.01 -1.35 0.02 0.00 -0.34 0.00 0.00 43.02 41.36 1ih8 s PHE 74 CO -0.06 -0.48 0.10 0.42 -1.46 0.00 0.00 175.22 173.74 1ih8 s ILE 75 N 1.16 3.99 -0.02 3.12 1.01 -0.04 -2.18 121.20 128.24 1ih8 s ILE 75 Ca -0.04 -0.81 -0.18 0.00 0.00 0.00 0.00 60.65 59.62 1ih8 s ILE 75 Cb -0.14 -3.12 -0.05 0.00 0.01 0.00 0.00 42.46 39.15 1ih8 s ILE 75 CO -0.03 -0.01 0.50 0.00 0.00 0.00 0.00 174.94 175.39 1ih8 s ALA 76 N 1.48 3.57 -0.04 9.38 0.00 0.11 -1.96 121.76 134.31 1ih8 s ALA 76 Ca 0.02 -0.10 0.02 0.00 0.00 0.00 0.00 51.96 51.89 1ih8 s ALA 76 Cb -0.18 -2.58 0.02 0.00 0.00 0.00 0.00 23.12 20.37 1ih8 s ALA 76 CO 0.03 0.27 -0.07 0.54 0.00 0.00 0.00 175.76 176.53 1ih8 s VAL 77 N -0.44 0.68 -0.01 0.00 0.11 -0.42 -0.25 120.40 120.07 1ih8 s VAL 77 Ca 0.27 -0.23 -0.27 0.00 -2.93 0.00 0.00 61.98 58.82 1ih8 s VAL 77 Cb -0.17 -0.66 -0.04 0.00 -1.53 0.00 0.00 36.38 33.98 1ih8 s VAL 77 CO 0.15 0.25 0.86 -0.13 -3.33 0.00 0.00 175.10 172.89 1ih8 s ARG 78 N 0.71 4.52 -0.52 1.54 1.81 -0.35 -0.80 118.95 125.87 1ih8 s ARG 78 Ca -0.11 1.19 0.07 0.00 -1.72 0.00 0.00 55.73 55.16 1ih8 s ARG 78 Cb -0.14 -3.44 0.35 0.00 -0.45 0.00 0.00 34.95 31.28 1ih8 s ARG 78 CO 0.01 0.05 0.92 1.28 -0.68 0.00 0.00 175.30 176.87 1ih8 n LEU 79 N 3.65 3.67 -4.78 2.53 4.77 -1.26 -0.71 117.00 124.87 1ih8 n LEU 79 Ca 0.02 -5.46 -0.34 0.00 -0.03 0.00 0.00 56.01 50.20 1ih8 n LEU 79 Cb 0.51 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1ih8 n LEU 79 CO 0.50 2.32 0.75 -2.16 -1.33 0.00 0.00 177.39 177.46 1ih8 s PRO 80 N -3.25 3.38 -0.80 3.23 0.04 -1.25 -4.71 135.00 131.64 1ih8 s PRO 80 Ca 0.47 1.44 -0.08 0.00 0.04 0.00 0.00 61.00 62.86 1ih8 s PRO 80 Cb 0.31 -2.03 0.21 0.00 0.04 0.00 0.00 34.50 33.03 1ih8 s PRO 80 CO -0.13 -0.79 0.69 -1.58 0.04 0.00 0.00 177.00 175.23 1ih8 s HIS 81 N -2.04 3.70 0.00 0.56 2.46 -1.26 -1.75 115.29 116.96 1ih8 s HIS 81 Ca 0.69 -2.43 0.00 0.00 0.47 0.00 0.00 55.06 53.78 1ih8 s HIS 81 Cb -0.20 -3.54 0.00 0.00 -0.13 0.00 0.00 32.58 28.71 1ih8 s HIS 81 CO 0.29 -0.90 0.00 0.41 -2.47 0.00 0.00 174.74 172.07 1ih8 n GLY 82 N 3.48 1.12 3.65 1.59 0.00 -1.26 -4.57 105.19 109.19 1ih8 n GLY 82 Ca 0.14 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 1ih8 n GLY 82 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ih8 s THR 83 N 0.00 4.94 -0.19 2.61 2.01 -1.26 -5.03 115.64 118.72 1ih8 s THR 83 Ca 0.00 1.38 -0.19 0.00 0.31 0.00 0.00 61.69 63.19 1ih8 s THR 83 Cb 0.00 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 1ih8 s THR 83 CO 0.00 0.03 0.55 -1.58 -0.69 0.00 0.00 174.62 172.93 1ih8 s GLN 84 N 2.29 4.22 0.31 4.92 0.74 -1.26 -4.96 119.66 125.92 1ih8 s GLN 84 Ca 0.32 0.49 0.08 0.00 0.05 0.00 0.00 55.36 56.31 1ih8 s GLN 84 Cb -0.16 -3.55 0.85 0.00 1.10 0.00 0.00 33.01 31.26 1ih8 s GLN 84 CO 0.10 -0.13 1.72 0.37 -0.55 0.00 0.00 175.29 176.80 1ih8 h GLN 85 N 7.36 0.52 -1.29 1.67 -0.00 -1.96 -2.25 115.11 119.16 1ih8 h GLN 85 Ca -0.34 -0.03 -0.63 0.00 -0.00 0.00 0.00 58.65 57.65 1ih8 h GLN 85 Cb 1.16 -0.12 -0.37 0.00 0.00 0.00 0.00 27.48 28.14 1ih8 h GLN 85 CO 0.75 0.35 -0.16 -0.40 0.00 0.00 0.00 178.83 179.37 1ih8 n ASP 86 N -4.92 5.79 -0.21 -0.69 5.75 -1.26 -4.74 116.55 116.27 1ih8 n ASP 86 Ca 0.26 -3.76 0.06 0.00 -0.01 0.00 0.00 54.79 51.34 1ih8 n ASP 86 Cb 0.73 -0.62 0.33 0.00 -1.03 0.00 0.00 41.12 40.53 1ih8 n ASP 86 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1ih8 h GLU 87 N 2.44 0.79 -0.81 0.11 4.57 -1.77 -1.92 114.58 117.99 1ih8 h GLU 87 Ca 0.42 -0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.61 1ih8 h GLU 87 Cb 0.92 -0.18 -0.05 0.00 -0.16 0.00 0.00 28.75 29.28 1ih8 h GLU 87 CO 1.05 0.52 0.53 0.38 -1.18 0.00 0.00 179.01 180.31 1ih8 h ASP 88 N 0.81 0.81 0.55 1.04 -0.00 -1.86 -0.31 116.42 117.46 1ih8 h ASP 88 Ca 0.34 -0.00 -0.14 0.00 -0.00 0.00 0.00 57.03 57.23 1ih8 h ASP 88 Cb 0.28 -0.17 -0.02 0.00 -0.00 0.00 0.00 39.33 39.42 1ih8 h ASP 88 CO -0.12 0.53 -0.62 0.44 -0.00 0.00 0.00 179.24 179.47 1ih8 h ASP 89 N 0.92 0.08 -0.16 4.15 3.45 -1.71 -1.76 116.42 121.39 1ih8 h ASP 89 Ca 0.34 -0.05 -0.14 0.00 0.43 0.00 0.00 57.03 57.62 1ih8 h ASP 89 Cb 0.16 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 38.90 1ih8 h ASP 89 CO -0.11 0.68 -0.37 0.00 -1.57 0.00 0.00 179.24 177.87 1ih8 h ALA 90 N 1.32 0.79 -0.42 3.45 0.00 -0.98 -1.09 119.26 122.34 1ih8 h ALA 90 Ca -0.01 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.35 1ih8 h ALA 90 Cb 1.11 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1ih8 h ALA 90 CO 0.09 0.65 -0.21 1.96 0.00 0.00 0.00 179.25 181.74 1ih8 h GLN 91 N 0.57 0.83 -0.65 0.00 1.08 -0.88 -1.43 115.11 114.63 1ih8 h GLN 91 Ca 0.05 -0.33 -0.06 0.00 -1.45 0.00 0.00 58.65 56.86 1ih8 h GLN 91 Cb 0.89 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.26 1ih8 h GLN 91 CO 0.08 0.96 0.16 1.25 -0.95 0.00 0.00 178.83 180.33 1ih8 h LEU 92 N 0.72 0.96 -0.27 1.46 5.85 -1.04 -0.72 115.31 122.27 1ih8 h LEU 92 Ca 0.10 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1ih8 h LEU 92 Cb 0.73 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1ih8 h LEU 92 CO 0.06 0.92 0.11 0.00 -0.34 0.00 0.00 178.44 179.19 1ih8 h ALA 93 N 1.20 0.35 -0.91 1.25 0.00 -0.87 -1.96 119.26 118.31 1ih8 h ALA 93 Ca 0.21 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1ih8 h ALA 93 Cb 0.34 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1ih8 h ALA 93 CO -0.00 -0.06 0.59 -0.07 0.00 0.00 0.00 179.25 179.70 1ih8 h LEU 94 N 0.28 1.06 -1.34 0.00 3.38 -0.96 0.11 115.31 117.84 1ih8 h LEU 94 Ca 0.09 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1ih8 h LEU 94 Cb 0.17 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1ih8 h LEU 94 CO -0.01 0.78 0.30 0.50 0.09 0.00 0.00 178.44 180.10 1ih8 h LYS 95 N 1.24 0.75 0.08 1.13 1.63 -0.73 -0.81 116.57 119.86 1ih8 h LYS 95 Ca 0.33 -0.07 -0.11 0.00 -0.85 0.00 0.00 60.65 59.94 1ih8 h LYS 95 Cb -0.12 -0.15 0.01 0.00 -0.60 0.00 0.00 32.23 31.37 1ih8 h LYS 95 CO -0.07 0.55 -0.50 0.35 -3.45 0.00 0.00 179.45 176.34 1ih8 h PHE 96 N 0.76 0.35 -0.73 1.91 3.57 -0.59 -3.35 116.94 118.86 1ih8 h PHE 96 Ca 0.19 -0.25 0.01 0.00 3.53 0.00 0.00 57.97 61.46 1ih8 h PHE 96 Cb 0.03 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 1ih8 h PHE 96 CO 0.00 1.18 0.48 0.82 -2.23 0.00 0.00 178.31 178.56 1ih8 h ILE 97 N -0.58 1.17 -5.81 1.41 2.04 -0.69 -3.47 117.51 111.58 1ih8 h ILE 97 Ca -0.09 -0.33 -0.34 0.00 1.00 0.00 0.00 64.86 65.10 1ih8 h ILE 97 Cb 1.38 0.11 0.14 0.00 -0.74 0.00 0.00 36.82 37.71 1ih8 h ILE 97 CO 0.09 0.18 -0.86 0.29 0.00 0.00 0.00 178.15 177.85 1ih8 n LYS 98 N -4.59 -3.15 -1.80 2.37 5.02 -0.32 -4.84 118.16 110.85 1ih8 n LYS 98 Ca 0.07 0.71 -0.34 0.00 -2.02 0.00 0.00 58.31 56.73 1ih8 n LYS 98 Cb 0.03 -5.27 0.05 0.00 -0.02 0.00 0.00 35.03 29.82 1ih8 n LYS 98 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1ih8 s PRO 99 N -5.26 2.77 0.21 1.97 0.04 -1.26 -4.93 135.00 128.54 1ih8 s PRO 99 Ca 0.30 1.56 -0.09 0.00 0.04 0.00 0.00 61.00 62.81 1ih8 s PRO 99 Cb -0.07 -1.93 0.25 0.00 0.04 0.00 0.00 34.50 32.80 1ih8 s PRO 99 CO 0.78 -1.31 1.79 -0.44 0.04 0.00 0.00 177.00 177.87 1ih8 h ASP 100 N 0.25 0.48 -3.84 6.66 3.32 -1.91 -3.42 116.42 117.97 1ih8 h ASP 100 Ca -0.48 0.04 -0.38 0.00 0.02 0.00 0.00 57.03 56.23 1ih8 h ASP 100 Cb 1.27 -0.05 -0.30 0.00 0.22 0.00 0.00 39.33 40.47 1ih8 h ASP 100 CO 0.54 0.30 -0.77 -0.54 -1.72 0.00 0.00 179.24 177.05 1ih8 s LYS 101 N -6.09 0.70 -0.31 3.56 1.02 -0.93 -5.02 119.74 112.68 1ih8 s LYS 101 Ca -0.13 -0.23 0.01 0.00 0.02 0.00 0.00 55.97 55.64 1ih8 s LYS 101 Cb 0.16 -0.68 0.07 0.00 -0.52 0.00 0.00 37.83 36.87 1ih8 s LYS 101 CO 0.76 0.10 -0.01 0.45 -0.92 0.00 0.00 175.35 175.73 1ih8 s SER 102 N 0.12 4.75 0.48 2.83 0.15 -1.26 -0.71 113.70 120.07 1ih8 s SER 102 Ca -0.01 -1.59 0.07 0.00 0.70 0.00 0.00 55.95 55.11 1ih8 s SER 102 Cb -0.06 -1.65 0.01 0.00 -1.71 0.00 0.00 66.02 62.61 1ih8 s SER 102 CO -0.00 -0.29 0.39 0.26 1.20 0.00 0.00 173.24 174.80 1ih8 s TRP 103 N 1.11 2.13 -0.18 3.44 0.52 0.65 -4.99 118.94 121.62 1ih8 s TRP 103 Ca -0.02 -0.67 -0.18 0.00 0.02 0.00 0.00 56.10 55.25 1ih8 s TRP 103 Cb -0.20 -2.04 0.05 0.00 -1.15 0.00 0.00 33.47 30.13 1ih8 s TRP 103 CO -0.04 -0.31 0.50 0.21 0.02 0.00 0.00 176.95 177.32 1ih8 s LYS 104 N -4.21 0.61 -0.18 4.98 2.36 -1.26 -1.21 119.74 120.83 1ih8 s LYS 104 Ca 0.42 0.65 -0.04 0.00 -2.55 0.00 0.00 55.97 54.45 1ih8 s LYS 104 Cb -0.02 0.29 0.09 0.00 -1.05 0.00 0.00 37.83 37.14 1ih8 s LYS 104 CO 0.25 -0.08 0.22 0.12 1.55 0.00 0.00 175.35 177.41 1ih8 s PHE 105 N 0.15 -0.29 -0.35 4.03 5.36 0.12 -4.91 117.98 122.09 1ih8 s PHE 105 Ca -0.01 0.35 -0.28 0.00 -0.96 0.00 0.00 56.93 56.03 1ih8 s PHE 105 Cb -0.03 -0.31 0.02 0.00 -0.34 0.00 0.00 43.02 42.35 1ih8 s PHE 105 CO 0.01 -0.55 1.01 0.34 -1.46 0.00 0.00 175.22 174.58 1ih8 s ASP 106 N 2.34 6.81 0.00 6.13 -1.08 -1.26 -3.87 116.67 125.74 1ih8 s ASP 106 Ca 0.06 0.83 0.30 0.00 -0.52 0.00 0.00 52.55 53.22 1ih8 s ASP 106 Cb -0.15 -2.51 1.45 0.00 -1.46 0.00 0.00 42.92 40.25 1ih8 s ASP 106 CO -0.11 -0.88 1.99 2.30 0.52 0.00 0.00 175.17 178.98 1ih8 n ILE 107 N 5.96 0.00 -0.00 4.11 -5.35 -0.72 -4.38 119.36 118.97 1ih8 n ILE 107 Ca 0.10 -0.05 -0.09 0.00 -0.27 0.00 0.00 62.75 62.44 1ih8 n ILE 107 Cb 0.48 -0.23 -0.03 0.00 -1.74 0.00 0.00 39.64 38.12 1ih8 n ILE 107 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1ih8 h LYS 108 N 0.46 -0.17 -0.81 6.28 3.64 -1.90 -1.25 116.57 122.83 1ih8 h LYS 108 Ca 0.00 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 1ih8 h LYS 108 Cb 0.26 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.07 1ih8 h LYS 108 CO 0.00 -0.12 0.53 0.66 -2.27 0.00 0.00 179.45 178.25 1ih8 h SER 109 N -0.18 0.79 -0.13 4.20 4.64 -1.97 0.23 113.55 121.13 1ih8 h SER 109 Ca 0.09 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.36 1ih8 h SER 109 Cb 0.32 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1ih8 h SER 109 CO -0.24 0.52 -0.12 0.74 -0.87 0.00 0.00 176.83 176.86 1ih8 h THR 110 N 0.91 1.35 -0.65 2.95 2.02 -1.75 -1.42 112.91 116.31 1ih8 h THR 110 Ca 0.34 -1.27 -0.06 0.00 0.77 0.00 0.00 66.41 66.19 1ih8 h THR 110 Cb 0.19 1.89 -0.03 0.00 -1.74 0.00 0.00 68.15 68.45 1ih8 h THR 110 CO -0.12 0.37 0.17 0.58 0.37 0.00 0.00 175.52 176.89 1ih8 h VAL 111 N -0.06 1.25 -0.48 3.16 2.07 -0.78 -1.78 116.25 119.63 1ih8 h VAL 111 Ca 0.02 -0.90 -0.05 0.00 0.82 0.00 0.00 66.70 66.59 1ih8 h VAL 111 Cb 0.64 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1ih8 h VAL 111 CO 0.03 0.34 0.11 0.28 0.02 0.00 0.00 177.57 178.36 1ih8 h SER 112 N 0.98 0.73 -0.46 0.57 0.02 -0.51 0.43 113.55 115.31 1ih8 h SER 112 Ca 0.21 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1ih8 h SER 112 Cb 0.33 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1ih8 h SER 112 CO -0.00 0.78 0.29 0.00 -1.14 0.00 0.00 176.83 176.75 1ih8 h ALA 113 N 0.98 0.59 -0.17 3.77 0.00 -1.02 0.15 119.26 123.57 1ih8 h ALA 113 Ca 0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1ih8 h ALA 113 Cb 0.33 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1ih8 h ALA 113 CO 0.00 0.07 0.05 0.35 0.00 0.00 0.00 179.25 179.72 1ih8 h PHE 114 N 0.62 0.27 -0.76 0.00 3.57 -1.14 -1.13 116.94 118.37 1ih8 h PHE 114 Ca 0.17 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 1ih8 h PHE 114 Cb -0.03 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.60 1ih8 h PHE 114 CO -0.03 0.37 0.44 0.77 -2.23 0.00 0.00 178.31 177.62 1ih8 h SER 115 N 0.09 0.94 -0.58 0.41 0.02 -0.67 0.49 113.55 114.24 1ih8 h SER 115 Ca 0.05 -0.08 -0.10 0.00 -0.84 0.00 0.00 61.79 60.82 1ih8 h SER 115 Cb 0.23 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 1ih8 h SER 115 CO -0.00 0.75 -0.04 0.44 -1.14 0.00 0.00 176.83 176.84 1ih8 h ASP 116 N 1.05 1.05 -0.62 3.07 3.32 -0.63 -2.61 116.42 121.05 1ih8 h ASP 116 Ca 0.27 -0.32 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 1ih8 h ASP 116 Cb 0.01 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 1ih8 h ASP 116 CO -0.05 1.12 0.09 -0.61 -1.72 0.00 0.00 179.24 178.07 1ih8 h GLN 117 N 0.96 1.03 -0.23 3.56 5.75 -0.76 -1.62 115.11 123.79 1ih8 h GLN 117 Ca 0.16 -0.28 0.01 0.00 -0.15 0.00 0.00 58.65 58.39 1ih8 h GLN 117 Cb 0.61 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.02 1ih8 h GLN 117 CO 0.04 0.97 0.14 -0.92 -2.65 0.00 0.00 178.83 176.40 1ih8 h TYR 118 N 0.94 0.26 -0.63 3.99 3.20 -0.73 0.50 116.97 124.50 1ih8 h TYR 118 Ca 0.19 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.01 1ih8 h TYR 118 Cb 0.44 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 1ih8 h TYR 118 CO 0.03 0.16 0.18 0.37 -1.64 0.00 0.00 178.16 177.26 1ih8 h GLN 119 N 0.29 0.99 -0.74 1.82 4.15 -1.39 0.19 115.11 120.43 1ih8 h GLN 119 Ca 0.09 -0.22 -0.03 0.00 0.77 0.00 0.00 58.65 59.26 1ih8 h GLN 119 Cb -0.01 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.50 1ih8 h GLN 119 CO -0.03 0.89 0.36 0.37 -1.93 0.00 0.00 178.83 178.48 1ih8 h GLN 120 N 0.92 1.05 0.20 1.69 4.15 -0.88 0.67 115.11 122.91 1ih8 h GLN 120 Ca 0.20 -0.14 -0.32 0.00 0.77 0.00 0.00 58.65 59.16 1ih8 h GLN 120 Cb 0.32 -0.19 0.03 0.00 0.21 0.00 0.00 27.48 27.85 1ih8 h GLN 120 CO -0.00 0.81 -1.38 0.93 -1.93 0.00 0.00 178.83 177.26 1ih8 h GLU 121 N 1.04 0.54 0.00 1.69 4.39 -0.63 -3.39 114.58 118.22 1ih8 h GLU 121 Ca 0.26 -0.84 0.00 0.00 0.34 0.00 0.00 59.36 59.11 1ih8 h GLU 121 Cb 0.10 0.30 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1ih8 h GLU 121 CO -0.03 1.39 -1.63 0.25 -1.16 0.00 0.00 179.01 177.83 1ih8 n THR 122 N -3.72 0.00 -0.56 1.13 -2.24 0.03 -4.98 114.28 103.94 1ih8 n THR 122 Ca -0.15 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1ih8 n THR 122 Cb 1.06 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 1ih8 n THR 122 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ih8 n GLY 123 N 1.63 1.38 3.77 3.38 0.00 0.23 -5.01 105.19 110.58 1ih8 n GLY 123 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1ih8 n GLY 123 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ih8 s ASP 124 N -3.19 5.70 -0.17 1.61 1.01 -1.25 -5.00 116.67 115.37 1ih8 s ASP 124 Ca 0.00 0.22 -0.15 0.00 0.71 0.00 0.00 52.55 53.33 1ih8 s ASP 124 Cb 0.00 -1.68 -0.04 0.00 1.01 0.00 0.00 42.92 42.21 1ih8 s ASP 124 CO 0.00 0.33 0.35 -1.58 0.21 0.00 0.00 175.17 174.48 1ih8 s GLN 125 N -1.33 4.23 0.33 8.23 0.74 -1.26 -3.36 119.66 127.24 1ih8 s GLN 125 Ca 0.18 0.16 -0.28 0.00 0.05 0.00 0.00 55.36 55.47 1ih8 s GLN 125 Cb -0.12 -3.47 -0.12 0.00 1.10 0.00 0.00 33.01 30.40 1ih8 s GLN 125 CO 0.08 0.13 1.30 1.28 -0.55 0.00 0.00 175.29 177.53 1ih8 n LEU 126 N 3.92 3.45 -4.74 3.68 4.77 -1.26 -4.94 117.00 121.87 1ih8 n LEU 126 Ca -0.10 1.20 -0.32 0.00 -0.03 0.00 0.00 56.01 56.76 1ih8 n LEU 126 Cb 0.52 -1.47 0.10 0.00 -2.33 0.00 0.00 43.42 40.23 1ih8 n LEU 126 CO 0.40 -0.51 0.72 0.42 -1.33 0.00 0.00 177.39 177.09 1ih8 s THR 127 N -0.95 2.89 0.26 -5.08 -4.23 -1.26 -4.75 115.64 102.53 1ih8 s THR 127 Ca 0.57 0.34 -0.01 0.00 -1.18 0.00 0.00 61.69 61.41 1ih8 s THR 127 Cb -0.58 -2.75 0.25 0.00 1.34 0.00 0.00 72.50 70.75 1ih8 s THR 127 CO 0.60 -0.33 1.82 -0.78 -0.54 0.00 0.00 174.62 175.39 1ih8 h ASP 128 N -0.87 0.79 0.27 3.99 -0.00 -1.99 -0.69 116.42 117.92 1ih8 h ASP 128 Ca -0.45 0.05 -0.01 0.00 -0.00 0.00 0.00 57.03 56.62 1ih8 h ASP 128 Cb 1.25 -0.10 0.00 0.00 -0.00 0.00 0.00 39.33 40.48 1ih8 h ASP 128 CO 0.50 0.43 -0.13 0.15 -0.00 0.00 0.00 179.24 180.18 1ih8 h PHE 129 N 0.88 -0.34 -0.44 0.28 3.57 -1.93 -0.53 116.94 118.42 1ih8 h PHE 129 Ca 0.45 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.91 1ih8 h PHE 129 Cb 0.44 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 1ih8 h PHE 129 CO -0.04 -0.15 0.15 -0.91 -2.23 0.00 0.00 178.31 175.14 1ih8 h ASN 130 N -0.46 0.58 0.17 0.41 2.35 -1.81 -0.88 115.58 115.95 1ih8 h ASN 130 Ca -0.04 -0.07 -0.10 0.00 -0.55 0.00 0.00 56.30 55.54 1ih8 h ASN 130 Cb 0.35 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1ih8 h ASN 130 CO 0.06 0.55 -0.35 0.50 -1.65 0.00 0.00 177.43 176.55 1ih8 h LYS 131 N 0.63 0.26 -0.71 0.81 3.64 -0.99 -2.12 116.57 118.10 1ih8 h LYS 131 Ca 0.15 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1ih8 h LYS 131 Cb 0.18 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 1ih8 h LYS 131 CO -0.01 0.58 0.33 0.78 -2.27 0.00 0.00 179.45 178.86 1ih8 h GLY 132 N 1.12 1.11 2.00 5.01 0.00 0.28 -1.68 103.07 110.90 1ih8 h GLY 132 Ca 0.03 -0.56 -0.06 0.00 0.00 0.00 0.00 47.33 46.73 1ih8 h GLY 132 CO 0.06 0.53 -0.29 3.43 0.00 0.00 0.00 176.54 180.26 1ih8 h ASN 133 N 1.00 0.00 -0.32 0.19 2.35 -0.84 -0.94 115.58 117.01 1ih8 h ASN 133 Ca 0.24 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.89 1ih8 h ASN 133 Cb 0.14 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 1ih8 h ASN 133 CO -0.03 0.29 -0.18 0.58 -1.65 0.00 0.00 177.43 176.45 1ih8 h VAL 134 N 0.00 1.27 -0.02 2.81 2.07 -0.73 -0.70 116.25 120.95 1ih8 h VAL 134 Ca -0.00 -1.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.24 1ih8 h VAL 134 Cb 0.61 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1ih8 h VAL 134 CO 0.04 0.43 0.01 0.11 0.02 0.00 0.00 177.57 178.18 1ih8 h LYS 135 N 0.69 0.03 -0.82 1.57 1.57 -0.34 0.51 116.57 119.78 1ih8 h LYS 135 Ca 0.10 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1ih8 h LYS 135 Cb 0.68 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.94 1ih8 h LYS 135 CO 0.05 0.15 0.48 0.00 -0.57 0.00 0.00 179.45 179.56 1ih8 h ALA 136 N 0.88 1.31 0.00 3.86 0.00 -1.13 -1.46 119.26 122.72 1ih8 h ALA 136 Ca 0.01 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1ih8 h ALA 136 Cb 0.13 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1ih8 h ALA 136 CO -0.00 0.59 -0.58 0.00 0.00 0.00 0.00 179.25 179.26 1ih8 h ARG 137 N 1.13 0.00 -0.10 0.00 3.08 -0.95 -2.82 114.38 114.73 1ih8 h ARG 137 Ca 0.29 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.19 1ih8 h ARG 137 Cb -0.03 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1ih8 h ARG 137 CO -0.05 0.58 -0.60 1.15 -1.07 0.00 0.00 179.97 179.97 1ih8 h THR 138 N 0.00 1.37 -0.25 2.04 2.02 -0.29 -1.87 112.91 115.93 1ih8 h THR 138 Ca -0.01 -1.95 -0.06 0.00 0.77 0.00 0.00 66.41 65.16 1ih8 h THR 138 Cb 1.20 1.96 -0.01 0.00 -1.74 0.00 0.00 68.15 69.55 1ih8 h THR 138 CO 0.08 0.58 -0.12 0.03 0.37 0.00 0.00 175.52 176.46 1ih8 h ARG 139 N 0.24 0.41 -0.13 6.66 3.08 -1.14 0.03 114.38 123.53 1ih8 h ARG 139 Ca -0.01 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 1ih8 h ARG 139 Cb 1.12 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 1ih8 h ARG 139 CO 0.10 0.53 0.03 1.98 -1.07 0.00 0.00 179.97 181.54 1ih8 h MET 140 N 0.38 0.21 -0.56 0.04 4.05 -1.21 -1.64 114.93 116.20 1ih8 h MET 140 Ca 0.07 -0.05 0.03 0.00 -0.28 0.00 0.00 59.70 59.47 1ih8 h MET 140 Cb 0.44 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.18 1ih8 h MET 140 CO 0.03 0.37 0.34 0.82 0.23 0.00 0.00 176.91 178.70 1ih8 h ILE 141 N 0.01 1.06 -0.46 1.77 2.04 -0.77 -0.83 117.51 120.33 1ih8 h ILE 141 Ca 0.04 -0.23 0.02 0.00 1.00 0.00 0.00 64.86 65.69 1ih8 h ILE 141 Cb 0.26 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 1ih8 h ILE 141 CO 0.00 0.12 0.28 0.00 0.00 0.00 0.00 178.15 178.55 1ih8 h ALA 142 N 1.25 0.59 -0.56 1.87 0.00 -0.83 0.12 119.26 121.69 1ih8 h ALA 142 Ca 0.23 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 1ih8 h ALA 142 Cb 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1ih8 h ALA 142 CO -0.10 -0.03 -0.00 1.96 0.00 0.00 0.00 179.25 181.07 1ih8 h GLN 143 N 0.56 1.00 0.00 0.00 4.20 -0.94 -1.60 115.11 118.32 1ih8 h GLN 143 Ca 0.18 -0.32 -0.06 0.00 0.06 0.00 0.00 58.65 58.52 1ih8 h GLN 143 Cb 0.01 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1ih8 h GLN 143 CO -0.08 1.00 -0.27 1.88 -0.67 0.00 0.00 178.83 180.68 1ih8 h TYR 144 N 0.88 0.00 -0.03 2.96 -1.99 -0.82 0.16 116.97 118.14 1ih8 h TYR 144 Ca 0.16 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.88 1ih8 h TYR 144 Cb 0.55 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.28 1ih8 h TYR 144 CO 0.04 0.27 -0.03 0.00 -0.00 0.00 0.00 178.16 178.44 1ih8 h ALA 145 N 1.73 0.04 -0.71 3.88 0.00 -0.34 0.23 119.26 124.08 1ih8 h ALA 145 Ca -0.00 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1ih8 h ALA 145 Cb 0.70 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1ih8 h ALA 145 CO 0.04 -0.18 0.46 0.82 0.00 0.00 0.00 179.25 180.39 1ih8 h ILE 146 N -0.42 1.17 -0.46 0.00 2.04 -1.08 0.21 117.51 118.97 1ih8 h ILE 146 Ca 0.00 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1ih8 h ILE 146 Cb 0.55 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 1ih8 h ILE 146 CO 0.01 0.17 0.29 1.23 0.00 0.00 0.00 178.15 179.85 1ih8 h GLY 147 N 0.94 0.66 1.41 5.37 0.00 -0.51 0.40 103.07 111.34 1ih8 h GLY 147 Ca 0.26 -0.26 -0.14 0.00 0.00 0.00 0.00 47.33 47.20 1ih8 h GLY 147 CO -0.06 0.25 -0.38 -1.33 0.00 0.00 0.00 176.54 175.02 1ih8 h GLY 148 N 0.62 0.71 1.34 4.60 0.00 -0.15 0.27 103.07 110.46 1ih8 h GLY 148 Ca 0.17 -0.70 -0.17 0.00 0.00 0.00 0.00 47.33 46.63 1ih8 h GLY 148 CO -0.03 0.63 -0.54 1.46 0.00 0.00 0.00 176.54 178.06 1ih8 h GLN 149 N 0.54 0.69 -0.02 4.80 1.08 -0.76 -3.31 115.11 118.13 1ih8 h GLN 149 Ca 0.05 -0.43 0.00 0.00 -1.45 0.00 0.00 58.65 56.82 1ih8 h GLN 149 Cb 0.90 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.38 1ih8 h GLN 149 CO 0.08 1.05 -0.22 0.39 -0.95 0.00 0.00 178.83 179.18 1ih8 n GLU 150 N -3.98 1.65 -2.57 1.46 -0.58 0.11 -4.99 120.64 111.75 1ih8 n GLU 150 Ca -0.03 -1.31 -0.09 0.00 -0.42 0.00 0.00 57.16 55.30 1ih8 n GLU 150 Cb 0.61 -1.40 0.01 0.00 -0.57 0.00 0.00 31.44 30.09 1ih8 n GLU 150 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ih8 n GLY 151 N 1.25 0.19 3.69 0.62 0.00 0.78 -4.80 105.19 106.93 1ih8 n GLY 151 Ca 0.10 -0.41 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 1ih8 n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ih8 s LEU 152 N -3.04 3.37 0.07 0.99 1.43 -0.18 -1.22 118.68 120.09 1ih8 s LEU 152 Ca 0.12 -0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 52.59 1ih8 s LEU 152 Cb -0.05 -1.90 -0.06 0.00 0.03 0.00 0.00 46.19 44.21 1ih8 s LEU 152 CO 0.15 -0.00 0.42 -0.76 0.23 0.00 0.00 176.35 176.39 1ih8 s LEU 153 N -3.67 4.37 -0.28 1.79 1.43 0.11 -4.53 118.68 117.91 1ih8 s LEU 153 Ca 0.31 0.86 -0.20 0.00 -1.03 0.00 0.00 54.13 54.07 1ih8 s LEU 153 Cb -0.07 -2.93 -0.02 0.00 0.03 0.00 0.00 46.19 43.21 1ih8 s LEU 153 CO 0.21 0.20 0.62 -0.69 0.23 0.00 0.00 176.35 176.92 1ih8 s VAL 154 N -1.34 4.97 0.25 -1.59 1.01 -1.26 -1.09 120.40 121.36 1ih8 s VAL 154 Ca 0.31 1.00 -0.27 0.00 0.00 0.00 0.00 61.98 63.02 1ih8 s VAL 154 Cb -0.15 -3.95 -0.09 0.00 0.00 0.00 0.00 36.38 32.19 1ih8 s VAL 154 CO 0.17 -0.04 0.90 -0.76 0.00 0.00 0.00 175.10 175.37 1ih8 s LEU 155 N 2.54 4.51 0.21 3.92 1.43 -0.84 0.16 118.68 130.61 1ih8 s LEU 155 Ca 0.25 1.82 0.08 0.00 -1.03 0.00 0.00 54.13 55.25 1ih8 s LEU 155 Cb -0.15 -3.69 -0.04 0.00 0.03 0.00 0.00 46.19 42.34 1ih8 s LEU 155 CO 0.10 0.08 0.04 -0.83 0.23 0.00 0.00 176.35 175.97 1ih8 s GLY 156 N -1.36 1.66 0.00 -3.19 0.00 0.06 -4.83 107.32 99.67 1ih8 s GLY 156 Ca 0.43 -1.44 0.12 0.00 0.00 0.00 0.00 44.72 43.83 1ih8 s GLY 156 CO 0.27 -1.47 1.16 -1.30 0.00 0.00 0.00 173.10 171.76 1ih8 n THR 157 N -0.49 0.68 -1.70 0.90 -2.24 -1.26 -4.19 114.28 105.98 1ih8 n THR 157 Ca -0.08 -0.84 -0.40 0.00 -2.27 0.00 0.00 64.05 60.45 1ih8 n THR 157 Cb 0.56 0.75 0.02 0.00 -2.10 0.00 0.00 70.33 69.56 1ih8 n THR 157 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ih8 n ASP 158 N 0.65 2.52 -3.48 3.42 2.03 -1.26 -4.84 116.55 115.59 1ih8 n ASP 158 Ca 0.11 1.08 -0.13 0.00 0.52 0.00 0.00 54.79 56.37 1ih8 n ASP 158 Cb 0.40 -1.51 -0.05 0.00 -0.72 0.00 0.00 41.12 39.25 1ih8 n ASP 158 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 1ih8 s HIS 159 N -1.22 0.88 0.23 -0.67 -3.43 -1.26 -3.14 115.29 106.67 1ih8 s HIS 159 Ca 0.63 -1.16 -0.08 0.00 -0.80 0.00 0.00 55.06 53.65 1ih8 s HIS 159 Cb -0.49 -0.03 0.24 0.00 -1.43 0.00 0.00 32.58 30.87 1ih8 s HIS 159 CO 0.57 -1.08 1.87 0.00 -2.00 0.00 0.00 174.74 174.10 1ih8 h ALA 160 N 2.18 1.07 0.00 -1.38 0.00 -1.41 0.13 119.26 119.86 1ih8 h ALA 160 Ca -0.28 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1ih8 h ALA 160 Cb 1.24 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1ih8 h ALA 160 CO 0.39 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.99 1ih8 h ALA 161 N 1.34 1.00 0.01 0.00 0.00 -1.87 -1.37 119.26 118.38 1ih8 h ALA 161 Ca 0.33 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.85 1ih8 h ALA 161 Cb 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 1ih8 h ALA 161 CO -0.11 0.00 -2.42 -1.91 0.00 0.00 0.00 179.25 174.81 1ih8 n GLU 162 N -2.86 0.66 -0.27 0.00 2.13 -0.87 -4.42 120.64 115.01 1ih8 n GLU 162 Ca -0.01 0.16 -0.05 0.00 0.66 0.00 0.00 57.16 57.92 1ih8 n GLU 162 Cb 0.19 -1.54 0.06 0.00 0.27 0.00 0.00 31.44 30.41 1ih8 n GLU 162 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ih8 h ALA 163 N 0.06 0.95 -0.45 4.31 0.00 -0.50 0.15 119.26 123.79 1ih8 h ALA 163 Ca -0.56 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.27 1ih8 h ALA 163 Cb 1.93 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 1ih8 h ALA 163 CO -0.06 0.44 0.30 -0.24 0.00 0.00 0.00 179.25 179.68 1ih8 h VAL 164 N 1.02 1.07 0.00 0.00 3.04 -1.48 -2.52 116.25 117.39 1ih8 h VAL 164 Ca 0.26 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.77 1ih8 h VAL 164 Cb -0.00 0.48 0.00 0.00 -2.01 0.00 0.00 31.29 29.76 1ih8 h VAL 164 CO -0.05 0.10 -1.30 0.35 -1.01 0.00 0.00 177.57 175.66 1ih8 n THR 165 N -4.47 0.20 -1.46 3.17 -2.24 -1.08 -3.28 114.28 105.12 1ih8 n THR 165 Ca 0.04 -0.36 -0.13 0.00 -2.27 0.00 0.00 64.05 61.33 1ih8 n THR 165 Cb 0.11 0.09 -0.05 0.00 -2.10 0.00 0.00 70.33 68.38 1ih8 n THR 165 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ih8 n GLY 166 N 1.31 1.22 3.54 3.38 0.00 0.02 -4.77 105.19 109.89 1ih8 n GLY 166 Ca -0.00 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 1ih8 n GLY 166 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ih8 s PHE 167 N -2.49 2.95 0.00 1.61 5.36 -1.16 -4.84 117.98 119.41 1ih8 s PHE 167 Ca 0.00 -1.64 -0.29 0.00 -0.96 0.00 0.00 56.93 54.04 1ih8 s PHE 167 Cb 0.00 -4.61 0.10 0.00 -0.34 0.00 0.00 43.02 38.17 1ih8 s PHE 167 CO 0.00 -1.70 0.98 -0.59 -1.46 0.00 0.00 175.22 172.45 1ih8 s PHE 168 N 3.55 -0.24 -0.28 10.12 -0.12 -1.26 -4.97 117.98 124.78 1ih8 s PHE 168 Ca 0.49 0.09 -0.21 0.00 -0.05 0.00 0.00 56.93 57.24 1ih8 s PHE 168 Cb 0.01 0.56 -0.01 0.00 -0.63 0.00 0.00 43.02 42.95 1ih8 s PHE 168 CO 0.03 -0.54 0.67 0.99 -0.05 0.00 0.00 175.22 176.32 1ih8 s THR 169 N -3.00 4.93 0.06 -4.49 2.01 -1.26 -4.93 115.64 108.96 1ih8 s THR 169 Ca 0.08 1.09 -0.32 0.00 0.31 0.00 0.00 61.69 62.85 1ih8 s THR 169 Cb -0.01 -4.00 -0.11 0.00 0.01 0.00 0.00 72.50 68.40 1ih8 s THR 169 CO -0.06 -0.07 1.87 1.17 -0.69 0.00 0.00 174.62 176.84 1ih8 n LYS 170 N 5.86 2.67 -1.15 4.92 4.81 -1.26 -0.49 118.16 133.51 1ih8 n LYS 170 Ca 0.00 0.97 -0.05 0.00 -0.87 0.00 0.00 58.31 58.37 1ih8 n LYS 170 Cb 0.49 -2.87 -0.02 0.00 0.02 0.00 0.00 35.03 32.64 1ih8 n LYS 170 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1ih8 n TYR 171 N 6.23 0.00 0.00 5.64 0.53 -1.26 -4.90 117.16 123.39 1ih8 n TYR 171 Ca 0.19 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.07 1ih8 n TYR 171 Cb 0.36 -1.48 0.00 0.00 -1.03 0.00 0.00 39.34 37.19 1ih8 n TYR 171 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1ih8 n GLY 172 N -1.36 1.25 0.21 2.72 0.00 0.35 -4.57 105.19 103.79 1ih8 n GLY 172 Ca -0.05 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.12 1ih8 n GLY 172 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1ih8 h ASP 173 N 0.00 0.00 1.42 1.61 -0.00 -1.69 0.01 116.42 117.77 1ih8 h ASP 173 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1ih8 h ASP 173 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 1ih8 h ASP 173 CO 0.00 0.00 -0.02 0.61 -0.00 0.00 0.00 179.24 179.83 1ih8 n GLY 174 N -0.64 -1.68 3.62 7.15 0.00 -0.77 -4.56 105.19 108.31 1ih8 n GLY 174 Ca -0.00 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 1ih8 n GLY 174 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ih8 s GLY 175 N -3.53 1.84 0.23 -0.02 0.00 -0.01 -4.68 107.32 101.15 1ih8 s GLY 175 Ca 0.11 -0.50 -0.22 0.00 0.00 0.00 0.00 44.72 44.11 1ih8 s GLY 175 CO 0.60 1.33 0.84 0.00 0.00 0.00 0.00 173.10 175.87 1ih8 s ALA 176 N 2.36 -1.38 -0.11 3.20 0.00 -1.26 -4.85 121.76 119.72 1ih8 s ALA 176 Ca 0.24 -0.17 -0.06 0.00 0.00 0.00 0.00 51.96 51.97 1ih8 s ALA 176 Cb -0.16 0.75 -0.27 0.00 0.00 0.00 0.00 23.12 23.45 1ih8 s ALA 176 CO 0.09 -1.04 0.41 -0.44 0.00 0.00 0.00 175.76 174.78 1ih8 h ASP 177 N 2.00 0.42 -5.04 0.00 3.32 -0.61 -3.48 116.42 113.03 1ih8 h ASP 177 Ca -0.22 -0.91 -0.11 0.00 0.02 0.00 0.00 57.03 55.81 1ih8 h ASP 177 Cb 1.24 -0.14 -0.18 0.00 0.22 0.00 0.00 39.33 40.48 1ih8 h ASP 177 CO 0.26 1.81 -0.31 -1.48 -1.72 0.00 0.00 179.24 177.79 1ih8 s LEU 178 N -7.02 1.07 -0.26 1.55 2.34 -1.13 -5.01 118.68 110.21 1ih8 s LEU 178 Ca -0.21 -0.19 0.02 0.00 0.06 0.00 0.00 54.13 53.82 1ih8 s LEU 178 Cb 0.07 1.17 0.07 0.00 -0.56 0.00 0.00 46.19 46.93 1ih8 s LEU 178 CO 0.78 -0.54 -0.05 -0.76 -1.06 0.00 0.00 176.35 174.72 1ih8 s LEU 179 N -1.86 3.21 0.18 1.48 1.43 -1.26 -0.76 118.68 121.09 1ih8 s LEU 179 Ca -0.08 -1.44 0.26 0.00 -1.03 0.00 0.00 54.13 51.85 1ih8 s LEU 179 Cb -0.02 -1.36 0.83 0.00 0.03 0.00 0.00 46.19 45.66 1ih8 s LEU 179 CO -0.01 -0.25 1.76 -0.81 0.23 0.00 0.00 176.35 177.27 1ih8 n PRO 180 N 4.53 0.23 -0.08 1.29 -0.04 -1.26 -3.88 135.00 135.79 1ih8 n PRO 180 Ca -0.10 0.18 0.12 0.00 -0.04 0.00 0.00 63.50 63.67 1ih8 n PRO 180 Cb 0.43 -1.76 0.18 0.00 -0.04 0.00 0.00 33.50 32.31 1ih8 n PRO 180 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1ih8 n LEU 181 N -2.16 3.07 -4.62 1.53 4.77 -1.26 -4.85 117.00 113.47 1ih8 n LEU 181 Ca 0.06 -1.16 -0.48 0.00 -0.03 0.00 0.00 56.01 54.39 1ih8 n LEU 181 Cb 0.42 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.36 1ih8 n LEU 181 CO 0.30 0.58 0.91 0.41 -1.33 0.00 0.00 177.39 178.26 1ih8 n THR 182 N 1.31 0.56 0.00 -5.08 -1.04 -1.19 -2.11 114.28 106.73 1ih8 n THR 182 Ca 0.17 -0.14 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1ih8 n THR 182 Cb 0.58 -1.10 0.00 0.00 -1.82 0.00 0.00 70.33 67.99 1ih8 n THR 182 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ih8 n GLY 183 N 2.39 3.34 3.75 3.41 0.00 -1.22 -4.89 105.19 111.96 1ih8 n GLY 183 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1ih8 n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ih8 s LEU 184 N 0.00 4.63 0.75 0.99 1.43 -0.90 -4.06 118.68 121.52 1ih8 s LEU 184 Ca 0.00 1.96 -0.07 0.00 -1.03 0.00 0.00 54.13 55.00 1ih8 s LEU 184 Cb 0.00 -3.61 0.10 0.00 0.03 0.00 0.00 46.19 42.71 1ih8 s LEU 184 CO 0.00 0.12 1.05 0.42 0.23 0.00 0.00 176.35 178.17 1ih8 s THR 185 N -1.09 2.22 0.09 5.49 -4.23 -1.26 -1.30 115.64 115.56 1ih8 s THR 185 Ca 0.42 -0.32 -0.19 0.00 -1.18 0.00 0.00 61.69 60.42 1ih8 s THR 185 Cb -0.26 -2.90 -0.07 0.00 1.34 0.00 0.00 72.50 70.60 1ih8 s THR 185 CO 0.33 0.00 1.59 0.50 -0.54 0.00 0.00 174.62 176.50 1ih8 h LYS 186 N -0.74 0.39 -0.22 3.99 1.63 -1.93 -1.64 116.57 118.05 1ih8 h LYS 186 Ca -0.42 -0.09 -0.08 0.00 -0.85 0.00 0.00 60.65 59.20 1ih8 h LYS 186 Cb 1.29 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.85 1ih8 h LYS 186 CO 0.51 0.49 -0.20 0.07 -3.45 0.00 0.00 179.45 176.87 1ih8 h ARG 187 N 0.23 0.39 -0.20 1.90 0.11 -1.94 -2.08 114.38 112.78 1ih8 h ARG 187 Ca 0.08 -0.12 -0.08 0.00 0.10 0.00 0.00 59.98 59.95 1ih8 h ARG 187 Cb 0.27 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.30 1ih8 h ARG 187 CO 0.00 0.58 -0.24 1.96 0.10 0.00 0.00 179.97 182.37 1ih8 h GLN 188 N 0.35 0.37 -0.68 0.08 4.20 -1.89 -0.55 115.11 117.00 1ih8 h GLN 188 Ca 0.06 -0.13 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 1ih8 h GLN 188 Cb 0.56 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.28 1ih8 h GLN 188 CO 0.04 0.59 0.19 0.78 -0.67 0.00 0.00 178.83 179.75 1ih8 h GLY 189 N 0.99 1.15 0.99 3.46 0.00 -0.63 -1.69 103.07 107.34 1ih8 h GLY 189 Ca 0.05 -0.71 -0.03 0.00 0.00 0.00 0.00 47.33 46.65 1ih8 h GLY 189 CO 0.04 0.66 0.26 -0.09 0.00 0.00 0.00 176.54 177.41 1ih8 h ARG 190 N 1.00 0.88 -0.87 4.80 2.43 -0.90 -1.59 114.38 120.14 1ih8 h ARG 190 Ca 0.22 -0.15 0.03 0.00 -0.81 0.00 0.00 59.98 59.26 1ih8 h ARG 190 Cb 0.34 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.69 1ih8 h ARG 190 CO -0.00 0.74 0.57 1.15 -1.51 0.00 0.00 179.97 180.92 1ih8 h THR 191 N 0.82 1.17 -0.43 0.20 2.02 -0.66 0.27 112.91 116.30 1ih8 h THR 191 Ca 0.20 -0.38 -0.14 0.00 0.77 0.00 0.00 66.41 66.85 1ih8 h THR 191 Cb 0.17 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 1ih8 h THR 191 CO -0.02 0.20 -0.30 -0.07 0.37 0.00 0.00 175.52 175.71 1ih8 h LEU 192 N 1.11 0.99 -1.02 2.58 4.07 -0.90 -1.73 115.31 120.41 1ih8 h LEU 192 Ca 0.34 -0.41 -0.01 0.00 0.08 0.00 0.00 57.88 57.87 1ih8 h LEU 192 Cb -0.02 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 41.40 1ih8 h LEU 192 CO -0.09 1.21 0.47 -0.07 -1.08 0.00 0.00 178.44 178.87 1ih8 h LEU 193 N 0.80 1.02 -0.41 1.67 3.38 -0.31 -0.12 115.31 121.34 1ih8 h LEU 193 Ca 0.09 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1ih8 h LEU 193 Cb 0.88 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1ih8 h LEU 193 CO 0.08 0.81 0.19 0.11 0.09 0.00 0.00 178.44 179.72 1ih8 h LYS 194 N 1.16 0.59 -0.34 1.13 1.57 -0.75 -1.25 116.57 118.69 1ih8 h LYS 194 Ca 0.30 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.96 1ih8 h LYS 194 Cb 0.01 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1ih8 h LYS 194 CO -0.05 0.53 0.10 1.49 -0.57 0.00 0.00 179.45 180.95 1ih8 h GLU 195 N 0.52 0.48 -0.00 3.15 4.57 -0.71 -1.42 114.58 121.16 1ih8 h GLU 195 Ca 0.14 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1ih8 h GLU 195 Cb 0.14 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 1ih8 h GLU 195 CO -0.02 0.43 -0.05 1.28 -1.18 0.00 0.00 179.01 179.48 1ih8 n LEU 196 N -4.37 0.30 -0.59 1.64 4.77 -0.11 -4.94 117.00 113.70 1ih8 n LEU 196 Ca 0.02 0.04 -0.05 0.00 -0.03 0.00 0.00 56.01 56.00 1ih8 n LEU 196 Cb 0.16 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1ih8 n LEU 196 CO 0.37 0.05 -0.04 0.61 -1.33 0.00 0.00 177.39 177.05 1ih8 n GLY 197 N 1.21 0.24 3.78 -0.72 0.00 -0.53 -5.03 105.19 104.13 1ih8 n GLY 197 Ca 0.17 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 1ih8 n GLY 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ih8 s ALA 198 N -2.33 2.70 0.12 4.61 0.00 -0.62 -4.95 121.76 121.29 1ih8 s ALA 198 Ca 0.02 0.78 -0.31 0.00 0.00 0.00 0.00 51.96 52.45 1ih8 s ALA 198 Cb -0.01 -3.35 -0.09 0.00 0.00 0.00 0.00 23.12 19.68 1ih8 s ALA 198 CO 0.02 -0.76 1.51 -1.25 0.00 0.00 0.00 175.76 175.28 1ih8 s PRO 199 N -3.34 4.25 0.38 0.00 0.04 -1.26 -4.87 135.00 130.20 1ih8 s PRO 199 Ca 0.72 2.23 0.22 0.00 0.04 0.00 0.00 61.00 64.21 1ih8 s PRO 199 Cb -0.23 -3.30 1.29 0.00 0.04 0.00 0.00 34.50 32.30 1ih8 s PRO 199 CO 0.27 -0.57 1.62 1.05 0.04 0.00 0.00 177.00 179.41 1ih8 h GLU 200 N 7.17 0.13 -0.98 4.56 4.11 -1.99 -0.43 114.58 127.15 1ih8 h GLU 200 Ca -0.42 -0.01 0.17 0.00 0.07 0.00 0.00 59.36 59.17 1ih8 h GLU 200 Cb 1.20 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 30.33 1ih8 h GLU 200 CO 0.90 0.09 0.61 -0.09 0.07 0.00 0.00 179.01 180.59 1ih8 h ARG 201 N 0.14 0.74 0.00 1.06 9.65 -1.98 -1.04 114.38 122.95 1ih8 h ARG 201 Ca 0.80 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.64 1ih8 h ARG 201 Cb 2.17 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 30.58 1ih8 h ARG 201 CO -0.60 0.49 0.00 -0.07 2.80 0.00 0.00 179.97 182.59 1ih8 h LEU 202 N 0.77 0.00 -2.84 3.80 3.38 -1.42 -2.71 115.31 116.29 1ih8 h LEU 202 Ca 0.53 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.50 1ih8 h LEU 202 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1ih8 h LEU 202 CO -0.31 0.00 -0.05 0.00 0.09 0.00 0.00 178.44 178.17 1ih8 n TYR 203 N -2.77 0.00 0.13 1.13 0.18 -0.42 -3.81 117.16 111.60 1ih8 n TYR 203 Ca -0.02 -0.78 0.01 0.00 1.88 0.00 0.00 57.90 59.00 1ih8 n TYR 203 Cb 0.10 -0.12 0.00 0.00 -0.38 0.00 0.00 39.34 38.95 1ih8 n TYR 203 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1ih8 n LEU 204 N -1.08 0.93 -4.87 -3.48 4.77 -1.02 -5.03 117.00 107.21 1ih8 n LEU 204 Ca 0.11 -0.86 -0.31 0.00 -0.03 0.00 0.00 56.01 54.93 1ih8 n LEU 204 Cb 0.57 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.62 1ih8 n LEU 204 CO 0.01 0.21 0.41 -1.59 -1.33 0.00 0.00 177.39 175.09 1ih8 s LYS 205 N -0.54 3.83 0.14 3.23 -2.85 -1.22 -5.02 119.74 117.30 1ih8 s LYS 205 Ca 0.03 0.48 -0.31 0.00 -1.00 0.00 0.00 55.97 55.17 1ih8 s LYS 205 Cb 0.02 -2.43 -0.08 0.00 -2.06 0.00 0.00 37.83 33.28 1ih8 s LYS 205 CO 0.06 0.05 1.39 -1.21 0.10 0.00 0.00 175.35 175.73 1ih8 s GLU 206 N -3.55 4.32 0.32 1.78 0.41 -1.26 -4.95 118.70 115.78 1ih8 s GLU 206 Ca 0.51 2.09 -0.29 0.00 -0.41 0.00 0.00 54.97 56.87 1ih8 s GLU 206 Cb -0.10 -3.23 -0.11 0.00 -1.78 0.00 0.00 34.13 28.91 1ih8 s GLU 206 CO 0.27 -0.42 1.54 -2.14 -0.49 0.00 0.00 175.26 174.02 1ih8 s PRO 207 N 0.85 4.13 -0.16 0.39 0.02 -1.26 -4.92 135.00 134.06 1ih8 s PRO 207 Ca 0.63 2.56 -0.24 0.00 0.02 0.00 0.00 61.00 63.97 1ih8 s PRO 207 Cb -0.37 -3.01 0.06 0.00 0.02 0.00 0.00 34.50 31.20 1ih8 s PRO 207 CO 0.32 -0.57 0.62 -0.08 -0.33 0.00 0.00 177.00 176.96 1ih8 s THR 208 N -0.46 0.01 -0.24 0.99 -1.32 -1.26 -1.21 115.64 112.15 1ih8 s THR 208 Ca 0.59 -0.04 0.19 0.00 -1.21 0.00 0.00 61.69 61.22 1ih8 s THR 208 Cb -0.47 -0.90 0.06 0.00 -1.51 0.00 0.00 72.50 69.69 1ih8 s THR 208 CO 0.54 -0.02 1.22 0.00 -2.21 0.00 0.00 174.62 174.14 1ih8 h ALA 209 N 4.32 0.69 -6.82 11.08 0.00 -1.94 -3.49 119.26 123.11 1ih8 h ALA 209 Ca -0.28 -0.31 -0.57 0.00 0.00 0.00 0.00 54.91 53.75 1ih8 h ALA 209 Cb 1.16 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1ih8 h ALA 209 CO 0.22 0.37 -1.00 -3.47 0.00 0.00 0.00 179.25 175.37 1ih8 n ASP 210 N -2.96 -4.36 -0.00 0.00 2.03 -1.26 -4.90 116.55 105.10 1ih8 n ASP 210 Ca -0.01 -1.25 0.05 0.00 0.52 0.00 0.00 54.79 54.10 1ih8 n ASP 210 Cb 0.66 -1.95 -0.07 0.00 -0.72 0.00 0.00 41.12 39.04 1ih8 n ASP 210 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1ih8 n LEU 211 N -4.90 0.38 -4.79 -2.67 4.77 -1.26 -4.77 117.00 103.75 1ih8 n LEU 211 Ca -0.11 -0.37 -0.38 0.00 -0.03 0.00 0.00 56.01 55.12 1ih8 n LEU 211 Cb 0.57 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.60 1ih8 n LEU 211 CO 0.73 0.09 0.17 -0.76 -1.33 0.00 0.00 177.39 176.29 1ih8 s LEU 212 N -2.82 4.41 0.03 2.23 1.43 -1.26 -4.17 118.68 118.53 1ih8 s LEU 212 Ca 0.02 0.98 -0.20 0.00 -1.03 0.00 0.00 54.13 53.89 1ih8 s LEU 212 Cb 0.08 -2.69 -0.16 0.00 0.03 0.00 0.00 46.19 43.44 1ih8 s LEU 212 CO 0.44 0.19 1.27 0.44 0.23 0.00 0.00 176.35 178.93 1ih8 h ASP 213 N 5.41 0.43 1.76 2.29 3.32 -1.96 -2.95 116.42 124.72 1ih8 h ASP 213 Ca -0.47 -0.57 -0.02 0.00 0.02 0.00 0.00 57.03 55.99 1ih8 h ASP 213 Cb 1.20 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.63 1ih8 h ASP 213 CO 0.67 0.91 -0.08 -0.33 -1.72 0.00 0.00 179.24 178.69 1ih8 h GLU 214 N -0.05 0.00 -2.04 3.56 4.39 -1.95 -3.37 114.58 115.13 1ih8 h GLU 214 Ca 0.00 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.15 1ih8 h GLU 214 Cb 0.85 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 29.10 1ih8 h GLU 214 CO 0.06 0.08 -1.03 1.63 -1.16 0.00 0.00 179.01 178.58 1ih8 n LYS 215 N -3.13 1.09 -1.97 2.33 5.02 -1.24 -5.12 118.16 115.14 1ih8 n LYS 215 Ca 0.03 -3.51 -0.35 0.00 -2.02 0.00 0.00 58.31 52.46 1ih8 n LYS 215 Cb 0.53 -1.47 0.04 0.00 -0.02 0.00 0.00 35.03 34.11 1ih8 n LYS 215 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1ih8 s PRO 216 N -1.63 2.93 -1.83 1.97 0.04 -1.11 -3.29 135.00 132.09 1ih8 s PRO 216 Ca 0.37 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.17 1ih8 s PRO 216 Cb 0.20 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.81 1ih8 s PRO 216 CO -0.09 -1.22 0.00 1.04 0.04 0.00 0.00 177.00 176.77 1ih8 n GLN 217 N -1.72 -1.67 -1.80 4.56 1.13 -1.26 -4.91 117.38 111.71 1ih8 n GLN 217 Ca 0.13 1.03 -0.42 0.00 -1.94 0.00 0.00 57.00 55.80 1ih8 n GLN 217 Cb 0.50 -5.67 -0.03 0.00 0.11 0.00 0.00 30.24 25.15 1ih8 n GLN 217 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1ih8 s GLN 218 N -4.90 4.09 0.52 -1.09 0.74 -1.21 -4.90 119.66 112.92 1ih8 s GLN 218 Ca 0.00 2.40 -0.22 0.00 0.05 0.00 0.00 55.36 57.59 1ih8 s GLN 218 Cb 0.00 -4.11 -0.06 0.00 1.10 0.00 0.00 33.01 29.95 1ih8 s GLN 218 CO 0.00 -0.99 1.29 -1.54 -0.55 0.00 0.00 175.29 173.50 1ih8 s SER 219 N 4.25 5.56 0.16 6.67 1.04 -1.26 -4.11 113.70 126.00 1ih8 s SER 219 Ca 0.83 2.61 -0.15 0.00 0.48 0.00 0.00 55.95 59.72 1ih8 s SER 219 Cb -0.38 -2.62 0.06 0.00 0.10 0.00 0.00 66.02 63.18 1ih8 s SER 219 CO 0.37 -1.36 1.79 0.44 0.98 0.00 0.00 173.24 175.45 1ih8 h ASP 220 N 1.63 0.35 -0.80 7.02 3.32 -1.51 -2.66 116.42 123.77 1ih8 h ASP 220 Ca -0.50 0.01 0.04 0.00 0.02 0.00 0.00 57.03 56.60 1ih8 h ASP 220 Cb 1.28 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.73 1ih8 h ASP 220 CO 0.58 0.25 0.52 -0.33 -1.72 0.00 0.00 179.24 178.55 1ih8 h GLU 221 N 0.46 0.92 -0.32 3.56 5.08 -1.82 0.20 114.58 122.66 1ih8 h GLU 221 Ca 0.17 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 1ih8 h GLU 221 Cb 0.05 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1ih8 h GLU 221 CO -0.10 0.61 0.02 1.15 -1.00 0.00 0.00 179.01 179.69 1ih8 h THR 222 N 0.95 1.25 -0.31 1.13 2.02 -1.79 0.11 112.91 116.28 1ih8 h THR 222 Ca 0.32 -0.91 -0.14 0.00 0.77 0.00 0.00 66.41 66.45 1ih8 h THR 222 Cb 0.09 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1ih8 h THR 222 CO -0.10 0.30 -0.36 -0.08 0.37 0.00 0.00 175.52 175.64 1ih8 h GLU 223 N 0.36 0.70 0.00 6.66 4.57 -1.09 -3.26 114.58 122.53 1ih8 h GLU 223 Ca 0.09 -0.34 -0.16 0.00 -1.18 0.00 0.00 59.36 57.76 1ih8 h GLU 223 Cb 0.41 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.98 1ih8 h GLU 223 CO 0.01 0.95 -0.95 -0.07 -1.18 0.00 0.00 179.01 177.78 1ih8 h LEU 224 N 0.58 0.00 0.80 1.64 3.38 -0.57 -3.48 115.31 117.67 1ih8 h LEU 224 Ca 0.06 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 1ih8 h LEU 224 Cb 0.89 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 1ih8 h LEU 224 CO 0.08 0.70 -0.16 0.61 0.09 0.00 0.00 178.44 179.76 1ih8 n GLY 225 N 1.33 0.28 3.50 0.83 0.00 0.38 -5.01 105.19 106.50 1ih8 n GLY 225 Ca -0.03 -0.64 -0.15 0.00 0.00 0.00 0.00 46.02 45.20 1ih8 n GLY 225 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ih8 s ILE 226 N -2.31 0.00 0.45 -0.61 2.07 -1.20 -5.08 121.20 114.52 1ih8 s ILE 226 Ca 0.00 -0.04 -0.05 0.00 -1.41 0.00 0.00 60.65 59.16 1ih8 s ILE 226 Cb 0.00 -0.87 -0.04 0.00 0.13 0.00 0.00 42.46 41.68 1ih8 s ILE 226 CO 0.00 -0.02 0.74 -0.94 -1.91 0.00 0.00 174.94 172.82 1ih8 s SER 227 N -0.11 6.30 0.42 4.50 1.04 -1.26 -4.41 113.70 120.18 1ih8 s SER 227 Ca -0.03 0.88 0.20 0.00 0.48 0.00 0.00 55.95 57.47 1ih8 s SER 227 Cb -0.03 -2.22 0.93 0.00 0.10 0.00 0.00 66.02 64.79 1ih8 s SER 227 CO 0.03 -0.51 1.86 1.88 0.98 0.00 0.00 173.24 177.48 1ih8 h TYR 228 N 0.43 0.00 -0.27 5.02 0.05 -1.98 -1.47 116.97 118.74 1ih8 h TYR 228 Ca -0.47 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.22 1ih8 h TYR 228 Cb 1.20 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.93 1ih8 h TYR 228 CO 0.58 0.29 -0.21 -0.44 -1.05 0.00 0.00 178.16 177.33 1ih8 h ASP 229 N 0.00 0.50 -0.08 3.88 3.32 -1.98 0.29 116.42 122.34 1ih8 h ASP 229 Ca -0.00 -0.16 -0.19 0.00 0.02 0.00 0.00 57.03 56.70 1ih8 h ASP 229 Cb 0.66 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 40.09 1ih8 h ASP 229 CO 0.04 0.71 -0.69 -0.33 -1.72 0.00 0.00 179.24 177.25 1ih8 h GLU 230 N 0.45 0.61 -0.24 3.56 5.08 -1.83 -1.65 114.58 120.57 1ih8 h GLU 230 Ca 0.07 -0.55 -0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1ih8 h GLU 230 Cb 0.61 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1ih8 h GLU 230 CO 0.04 1.17 0.15 0.82 -1.00 0.00 0.00 179.01 180.19 1ih8 h ILE 231 N 0.25 1.09 -0.50 3.13 2.04 -1.02 -1.65 117.51 120.85 1ih8 h ILE 231 Ca -0.06 -0.21 -0.08 0.00 1.00 0.00 0.00 64.86 65.50 1ih8 h ILE 231 Cb 1.34 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 1ih8 h ILE 231 CO 0.14 0.09 -0.02 0.44 0.00 0.00 0.00 178.15 178.80 1ih8 h ASP 232 N 0.30 0.82 -0.50 1.72 3.32 -0.46 -1.01 116.42 120.60 1ih8 h ASP 232 Ca 0.09 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 1ih8 h ASP 232 Cb 0.01 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1ih8 h ASP 232 CO -0.02 0.89 0.25 0.44 -1.72 0.00 0.00 179.24 179.08 1ih8 h ASP 233 N 0.78 0.66 -0.13 6.45 3.45 -1.07 0.82 116.42 127.38 1ih8 h ASP 233 Ca 0.15 -0.12 -0.00 0.00 0.43 0.00 0.00 57.03 57.48 1ih8 h ASP 233 Cb 0.50 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.09 1ih8 h ASP 233 CO 0.02 0.59 0.06 0.22 -1.57 0.00 0.00 179.24 178.57 1ih8 h TYR 234 N 0.67 0.19 -0.25 4.55 3.20 -1.02 -0.20 116.97 124.10 1ih8 h TYR 234 Ca 0.17 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 1ih8 h TYR 234 Cb 0.11 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 1ih8 h TYR 234 CO -0.01 0.23 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.52 1ih8 h LEU 235 N 0.09 0.42 -0.38 2.82 3.38 -0.98 -2.55 115.31 118.12 1ih8 h LEU 235 Ca 0.04 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1ih8 h LEU 235 Cb 0.11 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ih8 h LEU 235 CO -0.01 0.60 0.00 -0.62 0.09 0.00 0.00 178.44 178.51 1ih8 n GLU 236 N -4.19 1.24 -1.04 1.13 1.02 0.26 -4.78 120.64 114.28 1ih8 n GLU 236 Ca 0.00 -0.37 -0.01 0.00 -0.02 0.00 0.00 57.16 56.76 1ih8 n GLU 236 Cb 0.33 -1.22 -0.01 0.00 -0.02 0.00 0.00 31.44 30.53 1ih8 n GLU 236 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ih8 n GLY 237 N 0.80 0.51 3.80 0.62 0.00 -0.96 -4.42 105.19 105.53 1ih8 n GLY 237 Ca 0.10 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 1ih8 n GLY 237 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ih8 s LYS 238 N -1.10 2.12 -0.39 1.61 1.02 -0.11 -4.96 119.74 117.94 1ih8 s LYS 238 Ca 0.00 0.72 -0.29 0.00 0.02 0.00 0.00 55.97 56.43 1ih8 s LYS 238 Cb 0.00 -1.92 0.02 0.00 -0.52 0.00 0.00 37.83 35.42 1ih8 s LYS 238 CO 0.00 -1.62 1.08 -1.21 -0.92 0.00 0.00 175.35 172.68 1ih8 s GLU 239 N -5.11 3.89 0.29 1.68 2.02 -1.26 -4.62 118.70 115.58 1ih8 s GLU 239 Ca 0.61 0.78 0.09 0.00 0.02 0.00 0.00 54.97 56.47 1ih8 s GLU 239 Cb -0.15 -3.82 -0.04 0.00 0.10 0.00 0.00 34.13 30.22 1ih8 s GLU 239 CO 0.55 -1.11 0.04 0.14 0.02 0.00 0.00 175.26 174.89 1ih8 s VAL 240 N 3.97 3.35 0.65 2.63 -7.23 -1.26 -5.04 120.40 117.45 1ih8 s VAL 240 Ca 0.45 -1.85 -0.17 0.00 -1.81 0.00 0.00 61.98 58.60 1ih8 s VAL 240 Cb -0.10 -2.90 -0.01 0.00 0.56 0.00 0.00 36.38 33.94 1ih8 s VAL 240 CO 0.23 -0.32 1.22 -0.94 -0.31 0.00 0.00 175.10 174.98 1ih8 s SER 241 N -3.72 4.79 0.51 4.85 1.04 -1.26 -4.88 113.70 115.02 1ih8 s SER 241 Ca 0.33 2.41 0.17 0.00 0.48 0.00 0.00 55.95 59.34 1ih8 s SER 241 Cb -0.05 -2.60 1.25 0.00 0.10 0.00 0.00 66.02 64.72 1ih8 s SER 241 CO 0.21 -1.87 2.10 0.00 0.98 0.00 0.00 173.24 174.66 1ih8 h ALA 242 N 0.45 2.08 -0.37 5.32 0.00 -2.00 -2.10 119.26 122.65 1ih8 h ALA 242 Ca -0.50 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 1ih8 h ALA 242 Cb 1.30 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1ih8 h ALA 242 CO 0.53 -0.13 0.03 1.57 0.00 0.00 0.00 179.25 181.26 1ih8 h LYS 243 N 0.07 0.56 -0.12 0.00 2.10 -2.00 -1.20 116.57 115.97 1ih8 h LYS 243 Ca 0.08 -0.11 -0.06 0.00 -2.00 0.00 0.00 60.65 58.56 1ih8 h LYS 243 Cb 0.24 -0.09 -0.00 0.00 -0.90 0.00 0.00 32.23 31.49 1ih8 h LYS 243 CO -0.01 0.56 -0.15 0.28 -2.00 0.00 0.00 179.45 178.13 1ih8 h VAL 244 N 0.54 1.36 -0.42 0.07 2.07 -1.74 -2.40 116.25 115.73 1ih8 h VAL 244 Ca 0.12 -1.35 0.03 0.00 0.82 0.00 0.00 66.70 66.32 1ih8 h VAL 244 Cb 0.30 1.96 -0.03 0.00 -1.52 0.00 0.00 31.29 32.00 1ih8 h VAL 244 CO 0.01 0.39 0.23 0.28 0.02 0.00 0.00 177.57 178.49 1ih8 h SER 245 N -0.08 0.35 -0.19 0.57 0.02 -1.38 -1.07 113.55 111.77 1ih8 h SER 245 Ca 0.02 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1ih8 h SER 245 Cb 0.70 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 1ih8 h SER 245 CO 0.04 0.25 0.10 -0.08 -1.14 0.00 0.00 176.83 176.00 1ih8 h GLU 246 N 0.46 0.28 0.05 3.45 4.81 -1.25 -1.08 114.58 121.29 1ih8 h GLU 246 Ca 0.17 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1ih8 h GLU 246 Cb 0.05 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1ih8 h GLU 246 CO -0.10 0.29 -0.02 0.00 -0.73 0.00 0.00 179.01 178.44 1ih8 h ALA 247 N 0.97 -0.06 -0.55 2.92 0.00 -1.24 -1.97 119.26 119.32 1ih8 h ALA 247 Ca 0.07 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1ih8 h ALA 247 Cb 0.10 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1ih8 h ALA 247 CO -0.01 -0.51 -0.11 -0.07 0.00 0.00 0.00 179.25 178.55 1ih8 h LEU 248 N -0.11 1.05 -1.10 0.00 3.38 -1.18 -2.19 115.31 115.16 1ih8 h LEU 248 Ca -0.01 -0.35 -0.08 0.00 0.09 0.00 0.00 57.88 57.53 1ih8 h LEU 248 Cb 0.09 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1ih8 h LEU 248 CO 0.01 1.16 -0.26 -0.33 0.09 0.00 0.00 178.44 179.11 1ih8 h GLU 249 N 0.93 0.32 -0.08 1.13 5.08 -1.18 -0.12 114.58 120.65 1ih8 h GLU 249 Ca 0.14 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1ih8 h GLU 249 Cb 0.69 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 1ih8 h GLU 249 CO 0.05 0.56 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.38 1ih8 h LYS 250 N 0.28 0.16 -0.78 2.33 3.64 -1.19 -2.41 116.57 118.61 1ih8 h LYS 250 Ca 0.04 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1ih8 h LYS 250 Cb 0.61 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.39 1ih8 h LYS 250 CO 0.04 0.48 0.38 0.00 -2.27 0.00 0.00 179.45 178.09 1ih8 h ARG 251 N -0.18 1.12 -0.37 1.90 3.08 -1.19 -2.15 114.38 116.60 1ih8 h ARG 251 Ca 0.02 -0.16 0.02 0.00 0.07 0.00 0.00 59.98 59.93 1ih8 h ARG 251 Cb 0.42 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 1ih8 h ARG 251 CO 0.01 0.86 0.20 -0.92 -1.07 0.00 0.00 179.97 179.05 1ih8 h TYR 252 N 1.10 0.37 -0.43 3.04 3.20 -0.98 -1.56 116.97 121.70 1ih8 h TYR 252 Ca 0.27 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.13 1ih8 h TYR 252 Cb 0.11 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 1ih8 h TYR 252 CO 0.01 0.21 0.19 1.03 -1.64 0.00 0.00 178.16 177.95 1ih8 h SER 253 N 0.41 0.58 0.42 -2.11 0.87 -1.22 -2.95 113.55 109.54 1ih8 h SER 253 Ca 0.15 -0.15 -0.07 0.00 -1.23 0.00 0.00 61.79 60.49 1ih8 h SER 253 Cb 0.03 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 1ih8 h SER 253 CO -0.09 0.56 -0.32 0.24 -0.53 0.00 0.00 176.83 176.70 1ih8 h MET 254 N 0.55 0.00 -0.52 2.24 2.86 -1.18 -3.16 114.93 115.72 1ih8 h MET 254 Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1ih8 h MET 254 Cb 0.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1ih8 h MET 254 CO -0.02 0.32 0.00 0.25 1.06 0.00 0.00 176.91 178.52 1ih8 n THR 255 N -3.96 2.50 -0.03 2.22 -2.24 -0.61 -4.56 114.28 107.60 1ih8 n THR 255 Ca -0.02 -1.47 0.04 0.00 -2.27 0.00 0.00 64.05 60.33 1ih8 n THR 255 Cb 0.38 -0.20 0.41 0.00 -2.10 0.00 0.00 70.33 68.83 1ih8 n THR 255 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1ih8 h GLU 256 N 3.51 0.57 -0.04 -0.78 4.57 -1.49 -1.52 114.58 119.40 1ih8 h GLU 256 Ca 0.00 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1ih8 h GLU 256 Cb 1.77 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 30.23 1ih8 h GLU 256 CO 0.39 0.38 0.06 1.12 -1.18 0.00 0.00 179.01 179.77 1ih8 h HIS 257 N 0.59 0.00 0.00 0.92 2.07 -1.87 0.54 115.15 117.40 1ih8 h HIS 257 Ca 0.18 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.70 1ih8 h HIS 257 Cb -0.01 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.97 1ih8 h HIS 257 CO -0.00 0.00 0.00 0.87 -3.07 0.00 0.00 177.93 175.73 1ih8 h LYS 258 N 0.00 0.00 -0.52 5.12 1.57 -1.63 -3.22 116.57 117.90 1ih8 h LYS 258 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1ih8 h LYS 258 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1ih8 h LYS 258 CO -0.00 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.42 1ih8 n ARG 259 N -2.69 2.64 -4.33 3.15 1.74 0.17 -4.97 116.66 112.37 1ih8 n ARG 259 Ca 0.04 -2.33 -0.18 0.00 -0.77 0.00 0.00 57.85 54.62 1ih8 n ARG 259 Cb 0.46 -1.44 -0.10 0.00 -1.02 0.00 0.00 32.46 30.35 1ih8 n ARG 259 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1ih8 s GLN 260 N -1.07 1.29 0.91 5.56 -1.52 -1.13 -5.12 119.66 118.57 1ih8 s GLN 260 Ca 0.37 -1.59 -0.12 0.00 -1.95 0.00 0.00 55.36 52.08 1ih8 s GLN 260 Cb 0.20 -0.94 0.14 0.00 -0.22 0.00 0.00 33.01 32.18 1ih8 s GLN 260 CO 0.26 0.11 1.10 0.14 -0.25 0.00 0.00 175.29 176.66 1ih8 s VAL 261 N -3.11 2.44 0.32 1.09 -7.23 -1.26 -4.91 120.40 107.73 1ih8 s VAL 261 Ca 0.22 0.14 -0.26 0.00 -1.81 0.00 0.00 61.98 60.28 1ih8 s VAL 261 Cb 0.01 -2.74 -0.14 0.00 0.56 0.00 0.00 36.38 34.07 1ih8 s VAL 261 CO 0.06 -0.19 0.72 -2.65 -0.31 0.00 0.00 175.10 172.74 1ih8 n PRO 262 N -3.85 0.75 -2.43 4.82 -0.02 -1.26 -4.90 135.00 128.11 1ih8 n PRO 262 Ca 0.06 0.27 -0.41 0.00 -2.02 0.00 0.00 63.50 61.41 1ih8 n PRO 262 Cb 0.57 -1.53 -0.04 0.00 -0.02 0.00 0.00 33.50 32.48 1ih8 n PRO 262 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ih8 s ALA 263 N -1.21 3.42 0.29 3.55 0.00 -1.26 -5.06 121.76 121.48 1ih8 s ALA 263 Ca 0.62 0.93 0.03 0.00 0.00 0.00 0.00 51.96 53.54 1ih8 s ALA 263 Cb -0.71 -3.35 -0.06 0.00 0.00 0.00 0.00 23.12 19.00 1ih8 s ALA 263 CO 0.58 -0.23 0.04 -1.54 0.00 0.00 0.00 175.76 174.61 1ih8 s SER 264 N -0.62 2.04 0.17 0.00 1.04 -1.26 -5.03 113.70 110.04 1ih8 s SER 264 Ca 0.47 -1.33 0.18 0.00 0.48 0.00 0.00 55.95 55.75 1ih8 s SER 264 Cb -0.32 -0.02 0.81 0.00 0.10 0.00 0.00 66.02 66.58 1ih8 s SER 264 CO 0.41 -0.59 1.55 1.15 0.98 0.00 0.00 173.24 176.74 1ih8 n MET 265 N -0.57 0.11 0.00 4.02 0.00 -1.26 -1.91 117.12 117.51 1ih8 n MET 265 Ca -0.03 0.43 0.13 0.00 0.00 0.00 0.00 57.70 58.23 1ih8 n MET 265 Cb 0.66 -1.75 0.41 0.00 0.00 0.00 0.00 33.22 32.54 1ih8 n MET 265 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 1ih8 n PHE 266 N -1.97 0.00 -3.40 3.17 3.01 -1.26 -4.87 117.46 112.14 1ih8 n PHE 266 Ca 0.02 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.16 1ih8 n PHE 266 Cb 0.15 -0.17 -0.05 0.00 -0.01 0.00 0.00 39.48 39.41 1ih8 n PHE 266 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1ih8 s ASP 267 N -2.59 6.57 0.00 4.37 1.01 -0.80 -5.00 116.67 120.23 1ih8 s ASP 267 Ca 0.23 0.86 0.01 0.00 0.71 0.00 0.00 52.55 54.35 1ih8 s ASP 267 Cb 0.19 -2.20 -0.01 0.00 1.01 0.00 0.00 42.92 41.91 1ih8 s ASP 267 CO 0.54 -0.10 0.08 0.47 0.21 0.00 0.00 175.17 176.37 1ih8 n ASP 268 N -0.32 0.13 0.31 0.27 8.00 -1.26 -4.71 116.55 118.97 1ih8 n ASP 268 Ca -0.00 -0.56 0.20 0.00 0.71 0.00 0.00 54.79 55.13 1ih8 n ASP 268 Cb 0.53 0.92 1.04 0.00 -0.02 0.00 0.00 41.12 43.59 1ih8 n ASP 268 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 1ih8 h TRP 269 N 0.02 0.00 0.00 1.24 5.08 -1.97 -2.69 115.95 117.63 1ih8 h TRP 269 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1ih8 h TRP 269 Cb 0.02 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.18 1ih8 h TRP 269 CO 0.00 0.01 -1.00 -2.67 -1.28 0.00 0.00 178.44 173.50 1ih8 n TRP 270 N -3.29 0.20 1.14 0.12 4.27 -1.26 -5.03 117.44 113.58 1ih8 n TRP 270 Ca -0.02 0.06 0.09 0.00 -3.89 0.00 0.00 57.50 53.73 1ih8 n TRP 270 Cb 0.12 -0.37 0.54 0.00 -1.36 0.00 0.00 31.31 30.25 1ih8 n TRP 270 CO 0.00 0.00 0.00 1.63 -2.29 0.00 0.00 177.69 177.03