#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ia0 s GLU 4 N 0.00 0.97 -0.22 1.97 2.02 -1.26 -5.13 118.70 117.05 3ia0 s GLU 4 Ca 0.00 -0.36 -0.06 0.00 0.02 0.00 0.00 54.97 54.57 3ia0 s GLU 4 Cb 0.00 -0.91 -0.03 0.00 0.10 0.00 0.00 34.13 33.29 3ia0 s GLU 4 CO 0.00 0.18 0.03 1.03 0.02 0.00 0.00 175.26 176.51 3ia0 s ARG 5 N -0.02 3.64 -0.04 1.61 0.52 -1.26 -5.09 118.95 118.32 3ia0 s ARG 5 Ca 0.00 -0.50 0.06 0.00 -0.52 0.00 0.00 55.73 54.78 3ia0 s ARG 5 Cb -0.07 -3.18 -0.01 0.00 0.52 0.00 0.00 34.95 32.22 3ia0 s ARG 5 CO 0.00 -0.05 -0.23 0.42 0.02 0.00 0.00 175.30 175.46 3ia0 s ILE 6 N 1.21 1.85 0.01 1.52 -1.09 -1.26 -5.12 121.20 118.31 3ia0 s ILE 6 Ca 0.04 -0.97 -0.21 0.00 -2.23 0.00 0.00 60.65 57.28 3ia0 s ILE 6 Cb -0.14 -1.56 -0.05 0.00 -1.58 0.00 0.00 42.46 39.13 3ia0 s ILE 6 CO 0.02 0.52 0.61 -0.63 -1.23 0.00 0.00 174.94 174.23 3ia0 s ILE 7 N -0.29 4.87 -0.24 2.92 1.01 -1.26 -5.06 121.20 123.15 3ia0 s ILE 7 Ca 0.02 1.28 -0.01 0.00 0.00 0.00 0.00 60.65 61.93 3ia0 s ILE 7 Cb -0.11 -3.95 0.07 0.00 0.01 0.00 0.00 42.46 38.48 3ia0 s ILE 7 CO 0.01 0.43 0.04 -1.10 0.00 0.00 0.00 174.94 174.32 3ia0 s GLN 8 N -0.27 0.87 -0.35 2.79 -0.21 -1.26 -5.08 119.66 116.15 3ia0 s GLN 8 Ca 0.32 -0.73 -0.29 0.00 0.02 0.00 0.00 55.36 54.67 3ia0 s GLN 8 Cb -0.19 -2.17 0.01 0.00 1.00 0.00 0.00 33.01 31.66 3ia0 s GLN 8 CO 0.18 -0.74 1.25 -1.21 -2.12 0.00 0.00 175.29 172.65 3ia0 s GLU 9 N 1.69 3.86 0.11 2.91 2.02 -1.26 -5.01 118.70 123.02 3ia0 s GLU 9 Ca 0.01 1.05 -0.14 0.00 0.02 0.00 0.00 54.97 55.91 3ia0 s GLU 9 Cb -0.17 -3.88 -0.07 0.00 0.10 0.00 0.00 34.13 30.11 3ia0 s GLU 9 CO -0.13 -1.19 0.51 -0.59 0.02 0.00 0.00 175.26 173.89 3ia0 s PHE 10 N 4.41 3.65 0.02 1.61 -0.12 -1.26 -5.09 117.98 121.20 3ia0 s PHE 10 Ca 0.54 1.04 -0.10 0.00 -0.05 0.00 0.00 56.93 58.35 3ia0 s PHE 10 Cb -0.14 -2.35 0.01 0.00 -0.63 0.00 0.00 43.02 39.92 3ia0 s PHE 10 CO 0.24 0.49 0.21 0.14 -0.05 0.00 0.00 175.22 176.26 3ia0 s VAL 11 N -1.36 0.09 0.38 -2.49 -7.23 -1.26 -5.15 120.40 103.38 3ia0 s VAL 11 Ca 0.34 -0.71 -0.26 0.00 -1.81 0.00 0.00 61.98 59.53 3ia0 s VAL 11 Cb -0.16 -0.70 -0.09 0.00 0.56 0.00 0.00 36.38 36.00 3ia0 s VAL 11 CO 0.18 -0.39 1.21 -2.84 -0.31 0.00 0.00 175.10 172.95 3ia0 s PRO 12 N -1.90 4.14 0.75 4.82 0.02 -1.26 -5.04 135.00 136.52 3ia0 s PRO 12 Ca -0.10 1.96 -0.08 0.00 0.02 0.00 0.00 61.00 62.80 3ia0 s PRO 12 Cb -0.04 -2.80 0.09 0.00 0.02 0.00 0.00 34.50 31.76 3ia0 s PRO 12 CO -0.00 -0.29 1.06 0.20 -0.33 0.00 0.00 177.00 177.65 3ia0 s GLY 13 N -0.92 1.70 -0.34 0.52 0.00 -1.26 -4.92 107.32 102.10 3ia0 s GLY 13 Ca 0.55 -1.02 -0.01 0.00 0.00 0.00 0.00 44.72 44.23 3ia0 s GLY 13 CO 0.43 -0.55 0.08 0.54 0.00 0.00 0.00 173.10 173.60 3ia0 s LYS 14 N -5.34 2.16 -0.21 2.90 1.02 -1.25 -2.88 119.74 116.13 3ia0 s LYS 14 Ca 0.63 -1.54 -0.18 0.00 0.02 0.00 0.00 55.97 54.90 3ia0 s LYS 14 Cb -0.09 -3.32 0.06 0.00 -0.52 0.00 0.00 37.83 33.95 3ia0 s LYS 14 CO 0.46 -0.82 0.56 -1.14 -0.92 0.00 0.00 175.35 173.49 3ia0 s GLN 15 N 1.17 0.63 -0.44 1.68 0.74 -0.59 -1.72 119.66 121.13 3ia0 s GLN 15 Ca 0.01 0.84 -0.18 0.00 0.05 0.00 0.00 55.36 56.09 3ia0 s GLN 15 Cb -0.21 0.25 0.03 0.00 1.10 0.00 0.00 33.01 34.18 3ia0 s GLN 15 CO -0.03 -0.10 0.47 0.08 -0.55 0.00 0.00 175.29 175.16 3ia0 s VAL 16 N 0.62 5.05 -0.04 1.34 1.01 0.31 -1.76 120.40 126.93 3ia0 s VAL 16 Ca -0.03 -0.40 -0.10 0.00 0.00 0.00 0.00 61.98 61.46 3ia0 s VAL 16 Cb -0.05 -4.09 -0.30 0.00 0.00 0.00 0.00 36.38 31.94 3ia0 s VAL 16 CO -0.04 -0.50 0.70 0.74 0.00 0.00 0.00 175.10 176.00 3ia0 h THR 17 N 5.76 0.97 -3.18 3.92 2.02 -1.72 -3.26 112.91 117.42 3ia0 h THR 17 Ca -0.27 -2.55 -0.12 0.00 0.77 0.00 0.00 66.41 64.24 3ia0 h THR 17 Cb 1.11 2.77 -0.20 0.00 -1.74 0.00 0.00 68.15 70.08 3ia0 h THR 17 CO 0.83 0.85 -0.33 -1.48 0.37 0.00 0.00 175.52 175.76 3ia0 s LEU 18 N -7.26 1.05 -0.30 2.58 0.05 -1.25 -4.85 118.68 108.70 3ia0 s LEU 18 Ca -0.15 -0.01 -0.03 0.00 0.05 0.00 0.00 54.13 53.99 3ia0 s LEU 18 Cb 0.06 1.10 0.11 0.00 -2.05 0.00 0.00 46.19 45.41 3ia0 s LEU 18 CO 0.86 -0.43 0.16 0.00 -0.55 0.00 0.00 176.35 176.38 3ia0 s ALA 19 N -1.40 0.51 -0.04 1.48 0.00 -1.24 -2.34 121.76 118.73 3ia0 s ALA 19 Ca -0.14 -1.09 0.07 0.00 0.00 0.00 0.00 51.96 50.81 3ia0 s ALA 19 Cb -0.06 -1.47 -0.02 0.00 0.00 0.00 0.00 23.12 21.57 3ia0 s ALA 19 CO 0.03 -1.72 -0.25 -1.58 0.00 0.00 0.00 175.76 172.24 3ia0 s HIS 20 N 2.00 2.36 -0.15 0.00 5.04 0.75 -1.53 115.29 123.76 3ia0 s HIS 20 Ca 0.10 -0.55 -0.06 0.00 -1.54 0.00 0.00 55.06 53.01 3ia0 s HIS 20 Cb -0.17 -1.53 -0.04 0.00 0.04 0.00 0.00 32.58 30.89 3ia0 s HIS 20 CO -0.32 -0.11 0.07 -1.17 -2.34 0.00 0.00 174.74 170.87 3ia0 s LEU 21 N -0.42 3.90 -0.34 8.88 1.98 0.15 -0.40 118.68 132.43 3ia0 s LEU 21 Ca 0.04 0.18 0.01 0.00 -2.89 0.00 0.00 54.13 51.47 3ia0 s LEU 21 Cb -0.11 -1.96 0.11 0.00 0.66 0.00 0.00 46.19 44.88 3ia0 s LEU 21 CO 0.01 0.27 0.12 -0.63 -1.89 0.00 0.00 176.35 174.23 3ia0 s ILE 22 N -0.20 1.20 0.18 6.68 1.01 0.64 -0.20 121.20 130.51 3ia0 s ILE 22 Ca 0.08 -1.79 -0.27 0.00 0.00 0.00 0.00 60.65 58.67 3ia0 s ILE 22 Cb -0.12 -1.89 -0.08 0.00 0.01 0.00 0.00 42.46 40.38 3ia0 s ILE 22 CO 0.01 -0.71 0.83 0.00 0.00 0.00 0.00 174.94 175.07 3ia0 s ALA 23 N 1.24 3.41 -0.88 9.38 0.00 -0.86 -1.35 121.76 132.70 3ia0 s ALA 23 Ca 0.12 0.44 -0.03 0.00 0.00 0.00 0.00 51.96 52.48 3ia0 s ALA 23 Cb -0.19 -3.04 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 3ia0 s ALA 23 CO -0.17 0.26 0.80 0.72 0.00 0.00 0.00 175.76 177.36 3ia0 n HIS 24 N 1.63 -2.74 0.10 0.00 8.25 -1.26 -4.23 115.22 116.97 3ia0 n HIS 24 Ca -0.04 1.01 -0.05 0.00 -0.26 0.00 0.00 57.72 58.38 3ia0 n HIS 24 Cb 0.48 -4.11 0.09 0.00 1.12 0.00 0.00 29.99 27.56 3ia0 n HIS 24 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3ia0 h PRO 25 N -0.26 0.11 0.00 -0.41 0.11 -1.81 -3.44 132.00 126.30 3ia0 h PRO 25 Ca -0.29 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3ia0 h PRO 25 Cb 1.15 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3ia0 h PRO 25 CO 0.37 0.78 0.00 0.41 -0.21 0.00 0.00 178.00 179.34 3ia0 n GLY 26 N 0.51 0.76 0.29 -0.55 0.00 -1.26 -4.46 105.19 100.48 3ia0 n GLY 26 Ca -0.02 -1.69 -0.06 0.00 0.00 0.00 0.00 46.02 44.25 3ia0 n GLY 26 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3ia0 h GLU 27 N 0.00 0.89 0.37 1.61 4.81 -1.98 -1.59 114.58 118.69 3ia0 h GLU 27 Ca 0.00 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 58.95 3ia0 h GLU 27 Cb 0.00 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.29 3ia0 h GLU 27 CO 0.00 0.89 -0.18 1.49 -0.73 0.00 0.00 179.01 180.48 3ia0 h GLU 28 N 0.82 -0.47 -0.68 1.92 4.81 -2.00 0.47 114.58 119.45 3ia0 h GLU 28 Ca 0.15 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 3ia0 h GLU 28 Cb 0.50 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.95 3ia0 h GLU 28 CO 0.02 -0.28 0.41 1.25 -0.73 0.00 0.00 179.01 179.68 3ia0 h LEU 29 N -0.56 0.82 -0.70 1.64 5.85 -1.77 -1.55 115.31 119.04 3ia0 h LEU 29 Ca -0.05 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.64 3ia0 h LEU 29 Cb 0.42 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 3ia0 h LEU 29 CO 0.08 0.64 0.44 0.00 -0.34 0.00 0.00 178.44 179.26 3ia0 h ALA 30 N 1.21 0.93 -0.19 1.25 0.00 -1.11 0.45 119.26 121.80 3ia0 h ALA 30 Ca 0.24 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3ia0 h ALA 30 Cb -0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3ia0 h ALA 30 CO -0.04 0.20 0.07 -0.22 0.00 0.00 0.00 179.25 179.26 3ia0 h LYS 31 N 0.85 0.29 -0.42 0.00 3.64 -0.54 0.40 116.57 120.78 3ia0 h LYS 31 Ca 0.29 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.66 3ia0 h LYS 31 Cb 0.04 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 3ia0 h LYS 31 CO -0.12 0.36 0.15 0.87 -2.27 0.00 0.00 179.45 178.45 3ia0 h LYS 32 N 0.15 0.31 0.00 1.90 1.79 -0.81 -2.68 116.57 117.22 3ia0 h LYS 32 Ca 0.06 -0.02 -0.07 0.00 -2.18 0.00 0.00 60.65 58.44 3ia0 h LYS 32 Cb 0.19 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 3ia0 h LYS 32 CO -0.00 0.20 -0.33 0.82 -1.08 0.00 0.00 179.45 179.05 3ia0 h ILE 33 N 0.32 0.81 -0.83 1.86 2.04 -0.65 -3.47 117.51 117.58 3ia0 h ILE 33 Ca 0.19 -1.40 0.00 0.00 1.00 0.00 0.00 64.86 64.65 3ia0 h ILE 33 Cb 0.18 1.87 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 3ia0 h ILE 33 CO -0.20 0.33 0.00 0.61 0.00 0.00 0.00 178.15 178.89 3ia0 n GLY 34 N 0.17 0.92 3.30 5.37 0.00 0.07 -5.01 105.19 110.02 3ia0 n GLY 34 Ca -0.00 -0.50 -0.16 0.00 0.00 0.00 0.00 46.02 45.36 3ia0 n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ia0 s VAL 35 N -2.73 1.15 0.66 1.61 -7.23 -0.84 -4.86 120.40 108.16 3ia0 s VAL 35 Ca 0.00 -2.06 -0.17 0.00 -1.81 0.00 0.00 61.98 57.94 3ia0 s VAL 35 Cb 0.00 -2.14 -0.00 0.00 0.56 0.00 0.00 36.38 34.79 3ia0 s VAL 35 CO 0.00 -0.50 1.22 -2.84 -0.31 0.00 0.00 175.10 172.68 3ia0 s PRO 36 N -3.80 2.56 0.67 4.82 0.02 -1.26 -4.43 135.00 133.58 3ia0 s PRO 36 Ca 0.24 1.84 -0.09 0.00 0.02 0.00 0.00 61.00 63.00 3ia0 s PRO 36 Cb 0.04 -1.87 0.02 0.00 0.02 0.00 0.00 34.50 32.70 3ia0 s PRO 36 CO 0.06 -1.53 1.03 0.34 -0.33 0.00 0.00 177.00 176.57 3ia0 s ASP 37 N -1.75 5.39 -1.15 2.53 2.15 -1.26 -4.24 116.67 118.35 3ia0 s ASP 37 Ca 0.77 0.93 0.00 0.00 0.43 0.00 0.00 52.55 54.68 3ia0 s ASP 37 Cb -0.31 -1.76 0.00 0.00 -0.30 0.00 0.00 42.92 40.55 3ia0 s ASP 37 CO 0.39 -1.30 0.00 0.00 -0.17 0.00 0.00 175.17 174.09 3ia0 n ALA 38 N -2.88 -0.24 -2.67 3.66 0.00 -1.26 -5.01 120.51 112.11 3ia0 n ALA 38 Ca 0.06 0.15 -0.18 0.00 0.00 0.00 0.00 53.44 53.47 3ia0 n ALA 38 Cb 0.58 -1.39 -0.12 0.00 0.00 0.00 0.00 19.45 18.52 3ia0 n ALA 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3ia0 s VAL 39 N -2.48 1.14 0.89 0.00 -7.23 -1.26 -5.01 120.40 106.44 3ia0 s VAL 39 Ca 0.00 -1.37 -0.12 0.00 -1.81 0.00 0.00 61.98 58.69 3ia0 s VAL 39 Cb 0.00 -1.14 0.12 0.00 0.56 0.00 0.00 36.38 35.92 3ia0 s VAL 39 CO 0.00 -0.25 1.10 0.00 -0.31 0.00 0.00 175.10 175.63 3ia0 s ALA 40 N -1.40 1.65 -0.01 1.32 0.00 0.23 -4.51 121.76 119.04 3ia0 s ALA 40 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.82 3ia0 s ALA 40 Cb -0.09 -3.16 0.01 0.00 0.00 0.00 0.00 23.12 19.88 3ia0 s ALA 40 CO 0.02 -2.26 0.00 0.42 0.00 0.00 0.00 175.76 173.94 3ia0 s ILE 41 N -3.00 0.04 -0.11 0.00 1.01 -0.45 -2.65 121.20 116.04 3ia0 s ILE 41 Ca 0.63 0.05 0.00 0.00 0.00 0.00 0.00 60.65 61.34 3ia0 s ILE 41 Cb -0.17 -0.10 -0.02 0.00 0.01 0.00 0.00 42.46 42.18 3ia0 s ILE 41 CO 0.56 0.06 -0.11 -0.83 0.00 0.00 0.00 174.94 174.61 3ia0 s GLY 42 N 0.43 1.58 -0.10 6.18 0.00 0.02 -0.26 107.32 115.16 3ia0 s GLY 42 Ca -0.04 -0.90 0.02 0.00 0.00 0.00 0.00 44.72 43.81 3ia0 s GLY 42 CO -0.01 -0.33 -0.16 -0.42 0.00 0.00 0.00 173.10 172.18 3ia0 s ILE 43 N 0.03 1.52 -0.02 0.90 1.01 0.47 -1.90 121.20 123.20 3ia0 s ILE 43 Ca -0.03 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 59.98 3ia0 s ILE 43 Cb -0.14 -1.38 -0.00 0.00 0.01 0.00 0.00 42.46 40.95 3ia0 s ILE 43 CO 0.04 0.44 -0.09 -0.04 0.00 0.00 0.00 174.94 175.29 3ia0 s MET 44 N 0.89 0.93 -0.11 2.79 -1.94 -1.02 -0.18 119.30 120.65 3ia0 s MET 44 Ca -0.09 -0.33 -0.02 0.00 -1.71 0.00 0.00 55.69 53.55 3ia0 s MET 44 Cb -0.15 -0.87 -0.03 0.00 2.01 0.00 0.00 34.83 35.78 3ia0 s MET 44 CO -0.00 0.15 -0.04 0.95 -0.01 0.00 0.00 175.02 176.06 3ia0 s THR 45 N 0.06 3.89 0.02 2.05 -4.23 -0.99 -2.50 115.64 113.94 3ia0 s THR 45 Ca -0.01 -0.38 0.03 0.00 -1.18 0.00 0.00 61.69 60.14 3ia0 s THR 45 Cb -0.07 -2.65 -0.02 0.00 1.34 0.00 0.00 72.50 71.10 3ia0 s THR 45 CO 0.00 0.55 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.78 3ia0 s LEU 46 N -0.23 2.14 -0.05 4.79 1.43 -0.64 -2.10 118.68 124.03 3ia0 s LEU 46 Ca 0.04 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 3ia0 s LEU 46 Cb -0.13 -0.32 0.02 0.00 0.03 0.00 0.00 46.19 45.80 3ia0 s LEU 46 CO 0.02 -0.04 -0.06 -0.89 0.23 0.00 0.00 176.35 175.62 3ia0 s THR 47 N -0.77 0.61 1.03 5.49 2.01 -0.72 -4.10 115.64 119.19 3ia0 s THR 47 Ca -0.03 -0.17 -0.16 0.00 0.31 0.00 0.00 61.69 61.64 3ia0 s THR 47 Cb -0.06 -0.62 0.21 0.00 0.01 0.00 0.00 72.50 72.04 3ia0 s THR 47 CO 0.00 0.24 1.19 -2.16 -0.69 0.00 0.00 174.62 173.20 3ia0 s PRO 48 N 0.84 0.14 0.46 4.92 0.04 -1.14 -1.54 135.00 138.73 3ia0 s PRO 48 Ca -0.12 -0.06 0.14 0.00 0.04 0.00 0.00 61.00 61.00 3ia0 s PRO 48 Cb -0.15 -1.75 1.10 0.00 0.04 0.00 0.00 34.50 33.74 3ia0 s PRO 48 CO 0.01 -2.81 2.05 0.78 0.04 0.00 0.00 177.00 177.07 3ia0 h GLY 49 N -1.93 0.34 2.00 0.56 0.00 -1.78 -1.71 103.07 100.55 3ia0 h GLY 49 Ca -0.47 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 46.75 3ia0 h GLY 49 CO 0.44 0.09 0.00 1.18 0.00 0.00 0.00 176.54 178.26 3ia0 n GLU 50 N -4.48 0.14 0.31 4.80 4.71 -1.22 -2.53 120.64 122.37 3ia0 n GLU 50 Ca 0.04 0.42 0.20 0.00 -0.01 0.00 0.00 57.16 57.81 3ia0 n GLU 50 Cb 0.24 -1.80 1.02 0.00 -1.01 0.00 0.00 31.44 29.89 3ia0 n GLU 50 CO 0.00 0.00 0.00 1.15 0.09 0.00 0.00 177.13 178.37 3ia0 h THR 51 N 0.00 0.14 -0.22 2.62 2.02 -1.65 -2.83 112.91 112.99 3ia0 h THR 51 Ca 0.00 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 3ia0 h THR 51 Cb 0.28 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 3ia0 h THR 51 CO 0.00 0.02 0.03 0.00 0.37 0.00 0.00 175.52 175.93 3ia0 h ALA 52 N 1.98 1.65 -0.30 6.16 0.00 -1.71 0.98 119.26 128.03 3ia0 h ALA 52 Ca -0.00 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 3ia0 h ALA 52 Cb 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3ia0 h ALA 52 CO 0.00 0.27 -0.53 0.52 0.00 0.00 0.00 179.25 179.51 3ia0 h MET 53 N 0.30 0.88 -0.14 0.00 2.86 -1.76 0.60 114.93 117.67 3ia0 h MET 53 Ca 0.07 -0.55 -0.02 0.00 -2.06 0.00 0.00 59.70 57.14 3ia0 h MET 53 Cb 0.16 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 3ia0 h MET 53 CO 0.00 1.19 0.01 0.82 1.06 0.00 0.00 176.91 179.99 3ia0 h ILE 54 N 0.67 1.24 -0.83 -1.22 2.04 -1.53 -1.80 117.51 116.07 3ia0 h ILE 54 Ca 0.02 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 65.08 3ia0 h ILE 54 Cb 1.14 1.49 -0.04 0.00 -0.74 0.00 0.00 36.82 38.67 3ia0 h ILE 54 CO 0.12 0.23 0.44 0.00 0.00 0.00 0.00 178.15 178.94 3ia0 h ALA 55 N 0.77 1.21 -0.46 1.87 0.00 -0.85 -1.86 119.26 119.95 3ia0 h ALA 55 Ca 0.04 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.89 3ia0 h ALA 55 Cb 0.34 -0.33 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 3ia0 h ALA 55 CO 0.01 0.63 0.13 0.78 0.00 0.00 0.00 179.25 180.79 3ia0 h GLY 56 N 1.19 0.58 0.66 0.00 0.00 -0.71 0.12 103.07 104.91 3ia0 h GLY 56 Ca 0.29 -0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.58 3ia0 h GLY 56 CO -0.04 -0.02 -0.21 -1.80 0.00 0.00 0.00 176.54 174.47 3ia0 h ASP 57 N 0.28 -0.57 0.01 0.19 3.58 -0.84 -2.40 116.42 116.66 3ia0 h ASP 57 Ca 0.22 0.07 0.02 0.00 0.42 0.00 0.00 57.03 57.76 3ia0 h ASP 57 Cb 0.26 0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.50 3ia0 h ASP 57 CO -0.26 -0.29 -0.17 -0.07 -2.88 0.00 0.00 179.24 175.57 3ia0 h LEU 58 N -0.40 -0.49 -0.47 2.28 3.38 -0.79 -2.40 115.31 116.42 3ia0 h LEU 58 Ca 0.02 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3ia0 h LEU 58 Cb 0.41 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3ia0 h LEU 58 CO -0.11 -0.23 0.31 0.00 0.09 0.00 0.00 178.44 178.50 3ia0 h ALA 59 N 0.63 0.60 -0.90 1.53 0.00 -0.98 -0.86 119.26 119.29 3ia0 h ALA 59 Ca 0.05 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.01 3ia0 h ALA 59 Cb 0.35 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 3ia0 h ALA 59 CO -0.15 0.06 0.58 -0.07 0.00 0.00 0.00 179.25 179.67 3ia0 h LEU 60 N 0.64 0.84 0.00 0.00 3.38 -1.29 -2.04 115.31 116.84 3ia0 h LEU 60 Ca 0.17 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3ia0 h LEU 60 Cb -0.06 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.54 3ia0 h LEU 60 CO -0.04 0.50 -0.16 0.11 0.09 0.00 0.00 178.44 178.95 3ia0 h LYS 61 N 0.93 0.00 0.06 1.13 1.57 -0.83 -3.35 116.57 116.07 3ia0 h LYS 61 Ca 0.41 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.90 3ia0 h LYS 61 Cb 0.35 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 3ia0 h LYS 61 CO -0.17 0.00 -1.55 0.00 -0.57 0.00 0.00 179.45 177.16 3ia0 h ALA 62 N 2.41 0.47 -2.98 3.86 0.00 -0.44 -3.49 119.26 119.09 3ia0 h ALA 62 Ca 0.00 -1.23 -0.07 0.00 0.00 0.00 0.00 54.91 53.62 3ia0 h ALA 62 Cb 0.79 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3ia0 h ALA 62 CO 0.00 1.32 0.17 0.00 0.00 0.00 0.00 179.25 180.74 3ia0 s ALA 63 N -2.62 -0.44 -1.32 0.00 0.00 -1.14 -4.70 121.76 111.54 3ia0 s ALA 63 Ca -0.07 -0.89 -0.14 0.00 0.00 0.00 0.00 51.96 50.85 3ia0 s ALA 63 Cb 0.08 0.79 0.10 0.00 0.00 0.00 0.00 23.12 24.09 3ia0 s ALA 63 CO 0.83 -0.95 1.83 -3.47 0.00 0.00 0.00 175.76 174.00 3ia0 n ASP 64 N -1.34 4.75 -4.60 0.00 2.03 -1.26 -4.67 116.55 111.45 3ia0 n ASP 64 Ca -0.06 -2.95 -0.27 0.00 0.52 0.00 0.00 54.79 52.03 3ia0 n ASP 64 Cb 0.60 -1.63 -0.11 0.00 -0.72 0.00 0.00 41.12 39.26 3ia0 n ASP 64 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3ia0 s VAL 65 N 2.61 1.92 0.07 5.18 -7.23 -1.26 -4.61 120.40 117.09 3ia0 s VAL 65 Ca 0.47 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.67 3ia0 s VAL 65 Cb 0.06 -2.98 -0.03 0.00 0.56 0.00 0.00 36.38 33.99 3ia0 s VAL 65 CO 0.00 -0.00 -0.09 -1.00 -0.31 0.00 0.00 175.10 173.70 3ia0 s HIS 66 N -2.77 0.90 -0.43 2.82 3.76 -0.56 -4.85 115.29 114.16 3ia0 s HIS 66 Ca 0.35 -0.60 -0.26 0.00 -0.15 0.00 0.00 55.06 54.40 3ia0 s HIS 66 Cb 0.10 -0.52 0.02 0.00 1.11 0.00 0.00 32.58 33.30 3ia0 s HIS 66 CO 0.18 -0.05 0.94 0.42 -0.85 0.00 0.00 174.74 175.39 3ia0 s ILE 67 N -2.00 4.49 0.02 0.60 1.01 -1.26 -1.13 121.20 122.92 3ia0 s ILE 67 Ca -0.01 0.94 -0.25 0.00 0.00 0.00 0.00 60.65 61.32 3ia0 s ILE 67 Cb -0.06 -4.42 -0.17 0.00 0.01 0.00 0.00 42.46 37.82 3ia0 s ILE 67 CO -0.00 -0.75 1.36 1.23 0.00 0.00 0.00 174.94 176.78 3ia0 h GLY 68 N 10.46 -0.25 -3.03 6.18 0.00 -0.04 -3.47 103.07 112.91 3ia0 h GLY 68 Ca -0.24 0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.23 3ia0 h GLY 68 CO 1.02 -0.09 0.33 -0.11 0.00 0.00 0.00 176.54 177.69 3ia0 s PHE 69 N -4.92 -0.42 -0.07 5.60 -0.71 -1.03 -4.95 117.98 111.48 3ia0 s PHE 69 Ca -0.15 0.22 -0.00 0.00 -1.04 0.00 0.00 56.93 55.96 3ia0 s PHE 69 Cb 0.03 0.57 0.02 0.00 -1.21 0.00 0.00 43.02 42.43 3ia0 s PHE 69 CO 0.61 -0.76 -0.03 -1.17 -1.34 0.00 0.00 175.22 172.52 3ia0 s LEU 70 N -2.67 0.98 -0.42 -1.99 0.20 -1.26 -1.18 118.68 112.34 3ia0 s LEU 70 Ca 0.04 -0.15 0.03 0.00 0.69 0.00 0.00 54.13 54.73 3ia0 s LEU 70 Cb -0.01 -0.55 0.11 0.00 -0.43 0.00 0.00 46.19 45.31 3ia0 s LEU 70 CO -0.09 -0.13 0.15 -0.62 -0.29 0.00 0.00 176.35 175.37 3ia0 s ASP 71 N 1.54 4.73 0.00 3.68 3.68 0.60 -4.95 116.67 125.94 3ia0 s ASP 71 Ca -0.01 -2.44 0.20 0.00 2.13 0.00 0.00 52.55 52.44 3ia0 s ASP 71 Cb -0.13 -1.67 1.20 0.00 -1.45 0.00 0.00 42.92 40.87 3ia0 s ASP 71 CO -0.04 -0.36 1.64 -2.11 0.13 0.00 0.00 175.17 174.43 3ia0 n ARG 72 N 3.91 0.77 -0.11 4.34 1.85 -1.26 -0.20 116.66 125.96 3ia0 n ARG 72 Ca 0.04 0.00 -0.16 0.00 -1.00 0.00 0.00 57.85 56.73 3ia0 n ARG 72 Cb 0.39 -1.41 -0.06 0.00 -1.05 0.00 0.00 32.46 30.33 3ia0 n ARG 72 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3ia0 n PHE 73 N -0.91 0.16 0.17 2.89 3.01 -1.26 -3.45 117.46 118.07 3ia0 n PHE 73 Ca 0.15 0.07 0.06 0.00 1.01 0.00 0.00 57.45 58.74 3ia0 n PHE 73 Cb 0.07 -0.73 0.10 0.00 -0.01 0.00 0.00 39.48 38.91 3ia0 n PHE 73 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3ia0 h SER 74 N -1.00 0.00 0.00 4.37 4.64 -1.87 -3.40 113.55 116.29 3ia0 h SER 74 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3ia0 h SER 74 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3ia0 h SER 74 CO -0.15 0.35 0.00 0.61 -0.87 0.00 0.00 176.83 176.77 3ia0 n GLY 75 N 1.10 0.67 3.82 -0.77 0.00 0.72 -4.63 105.19 106.11 3ia0 n GLY 75 Ca 0.02 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 3ia0 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ia0 s ALA 76 N -2.00 3.23 -0.12 4.61 0.00 -0.97 -1.63 121.76 124.89 3ia0 s ALA 76 Ca 0.00 0.26 -0.05 0.00 0.00 0.00 0.00 51.96 52.17 3ia0 s ALA 76 Cb 0.00 -2.97 0.06 0.00 0.00 0.00 0.00 23.12 20.21 3ia0 s ALA 76 CO 0.00 0.24 0.25 -1.17 0.00 0.00 0.00 175.76 175.08 3ia0 s LEU 77 N -2.68 -0.01 -0.14 0.00 2.96 -1.04 -0.29 118.68 117.47 3ia0 s LEU 77 Ca 0.54 0.54 0.02 0.00 -0.22 0.00 0.00 54.13 55.01 3ia0 s LEU 77 Cb -0.13 0.67 0.01 0.00 0.50 0.00 0.00 46.19 47.25 3ia0 s LEU 77 CO 0.18 -0.21 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.09 3ia0 s VAL 78 N 1.98 2.08 0.34 1.68 1.01 -0.32 -2.44 120.40 124.72 3ia0 s VAL 78 Ca -0.03 -0.97 0.09 0.00 0.00 0.00 0.00 61.98 61.07 3ia0 s VAL 78 Cb -0.11 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 3ia0 s VAL 78 CO -0.08 0.55 0.01 0.27 0.00 0.00 0.00 175.10 175.85 3ia0 s ILE 79 N 0.84 2.59 0.21 2.22 -4.36 -0.80 0.69 121.20 122.59 3ia0 s ILE 79 Ca -0.06 -1.98 -0.09 0.00 -0.26 0.00 0.00 60.65 58.26 3ia0 s ILE 79 Cb -0.15 -2.80 -0.01 0.00 1.25 0.00 0.00 42.46 40.74 3ia0 s ILE 79 CO -0.02 -0.19 0.33 -0.72 0.24 0.00 0.00 174.94 174.58 3ia0 s TYR 80 N -2.53 0.55 -5.00 1.37 -0.85 -0.28 -0.80 117.35 109.81 3ia0 s TYR 80 Ca 0.35 -0.88 0.00 0.00 -0.52 0.00 0.00 57.07 56.02 3ia0 s TYR 80 Cb 0.00 -0.06 0.00 0.00 0.38 0.00 0.00 41.96 42.28 3ia0 s TYR 80 CO 0.19 -0.82 0.00 0.41 -1.52 0.00 0.00 175.55 173.81 3ia0 n GLY 81 N -0.30 0.32 3.73 5.49 0.00 -1.08 -1.50 105.19 111.84 3ia0 n GLY 81 Ca -0.03 -1.57 -0.33 0.00 0.00 0.00 0.00 46.02 44.09 3ia0 n GLY 81 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ia0 s SER 82 N -4.00 4.18 0.27 1.61 1.04 -1.26 -0.60 113.70 114.94 3ia0 s SER 82 Ca 0.00 2.20 -0.01 0.00 0.48 0.00 0.00 55.95 58.63 3ia0 s SER 82 Cb 0.00 -2.57 0.50 0.00 0.10 0.00 0.00 66.02 64.05 3ia0 s SER 82 CO 0.00 -2.26 1.83 0.58 0.98 0.00 0.00 173.24 174.37 3ia0 h VAL 83 N -0.59 0.92 -0.28 5.02 2.07 -1.97 0.17 116.25 121.59 3ia0 h VAL 83 Ca -0.46 -0.32 -0.13 0.00 0.82 0.00 0.00 66.70 66.61 3ia0 h VAL 83 Cb 1.27 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3ia0 h VAL 83 CO 0.49 0.17 -0.31 1.23 0.02 0.00 0.00 177.57 179.17 3ia0 h GLY 84 N 0.93 0.78 0.84 2.17 0.00 -1.99 -1.28 103.07 104.52 3ia0 h GLY 84 Ca 0.46 -0.82 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 3ia0 h GLY 84 CO -0.26 0.74 0.03 0.00 0.00 0.00 0.00 176.54 177.04 3ia0 h ALA 85 N 0.70 0.29 -0.83 3.60 0.00 -1.81 -1.94 119.26 119.27 3ia0 h ALA 85 Ca 0.04 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3ia0 h ALA 85 Cb 0.89 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 3ia0 h ALA 85 CO 0.08 -0.03 0.39 0.28 0.00 0.00 0.00 179.25 179.97 3ia0 h VAL 86 N 0.15 1.26 -0.57 0.00 2.07 -1.00 -0.09 116.25 118.07 3ia0 h VAL 86 Ca 0.06 -0.73 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 3ia0 h VAL 86 Cb 0.34 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 3ia0 h VAL 86 CO 0.01 0.31 0.16 -0.08 0.02 0.00 0.00 177.57 177.99 3ia0 h GLU 87 N 1.18 0.89 -0.11 1.57 4.81 -1.09 -0.92 114.58 120.90 3ia0 h GLU 87 Ca 0.28 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 3ia0 h GLU 87 Cb 0.13 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 3ia0 h GLU 87 CO -0.03 0.81 -0.14 1.49 -0.73 0.00 0.00 179.01 180.41 3ia0 h GLU 88 N 0.80 0.29 -0.55 1.92 4.57 -1.17 -1.22 114.58 119.22 3ia0 h GLU 88 Ca 0.18 -0.16 0.10 0.00 -1.18 0.00 0.00 59.36 58.29 3ia0 h GLU 88 Cb 0.31 0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 28.83 3ia0 h GLU 88 CO -0.00 0.72 0.13 0.00 -1.18 0.00 0.00 179.01 178.68 3ia0 h ALA 89 N 0.57 0.65 0.45 2.92 0.00 -0.92 0.15 119.26 123.07 3ia0 h ALA 89 Ca 0.01 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3ia0 h ALA 89 Cb 0.68 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3ia0 h ALA 89 CO 0.03 -0.29 -0.22 -0.07 0.00 0.00 0.00 179.25 178.71 3ia0 h LEU 90 N 0.27 -0.51 -0.31 0.00 3.38 -1.09 -1.15 115.31 115.90 3ia0 h LEU 90 Ca 0.28 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.32 3ia0 h LEU 90 Cb 0.39 0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.20 3ia0 h LEU 90 CO -0.35 -0.34 -0.14 -1.28 0.09 0.00 0.00 178.44 176.42 3ia0 h SER 91 N -0.64 -0.49 -0.64 -0.43 0.87 -0.79 -2.02 113.55 109.42 3ia0 h SER 91 Ca -0.06 0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 3ia0 h SER 91 Cb 0.48 0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.68 3ia0 h SER 91 CO 0.10 -0.18 0.38 1.56 -0.53 0.00 0.00 176.83 178.16 3ia0 h GLN 92 N -0.09 0.87 -0.52 2.24 1.08 -0.68 -2.90 115.11 115.10 3ia0 h GLN 92 Ca 0.16 -0.08 -0.09 0.00 -1.45 0.00 0.00 58.65 57.19 3ia0 h GLN 92 Cb 0.34 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.57 3ia0 h GLN 92 CO -0.37 0.62 -0.04 1.15 -0.95 0.00 0.00 178.83 179.24 3ia0 h THR 93 N 0.87 1.26 0.16 -0.54 2.02 -0.74 0.27 112.91 116.20 3ia0 h THR 93 Ca 0.23 -1.14 -0.01 0.00 0.77 0.00 0.00 66.41 66.27 3ia0 h THR 93 Cb -0.02 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 3ia0 h THR 93 CO -0.04 0.40 -0.08 0.58 0.37 0.00 0.00 175.52 176.75 3ia0 h VAL 94 N 0.84 0.95 -0.90 3.16 2.07 -1.31 -2.18 116.25 118.87 3ia0 h VAL 94 Ca 0.15 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 3ia0 h VAL 94 Cb 0.55 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 3ia0 h VAL 94 CO 0.03 0.11 0.53 0.77 0.02 0.00 0.00 177.57 179.04 3ia0 h SER 95 N -0.44 1.09 -0.74 0.57 4.64 -1.43 -2.36 113.55 114.88 3ia0 h SER 95 Ca -0.02 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 3ia0 h SER 95 Cb 0.35 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 62.13 3ia0 h SER 95 CO 0.04 0.84 0.48 1.23 -0.87 0.00 0.00 176.83 178.55 3ia0 h GLY 96 N 1.25 1.05 0.94 -0.77 0.00 -0.86 -0.60 103.07 104.09 3ia0 h GLY 96 Ca 0.32 -0.41 -0.12 0.00 0.00 0.00 0.00 47.33 47.13 3ia0 h GLY 96 CO -0.06 0.40 -0.31 1.41 0.00 0.00 0.00 176.54 177.98 3ia0 h LEU 97 N 1.01 0.70 -1.30 3.11 3.38 -0.90 0.67 115.31 121.98 3ia0 h LEU 97 Ca 0.27 -0.50 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 3ia0 h LEU 97 Cb -0.09 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 3ia0 h LEU 97 CO -0.06 1.06 -0.30 1.23 0.09 0.00 0.00 178.44 180.46 3ia0 h GLY 98 N 0.35 0.08 0.03 0.83 0.00 -1.23 0.36 103.07 103.50 3ia0 h GLY 98 Ca 0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 3ia0 h GLY 98 CO 0.07 0.06 -0.02 -0.09 0.00 0.00 0.00 176.54 176.57 3ia0 h ARG 99 N 0.07 -0.04 -0.54 4.80 2.43 -0.97 -1.60 114.38 118.52 3ia0 h ARG 99 Ca 0.01 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 3ia0 h ARG 99 Cb 0.57 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 3ia0 h ARG 99 CO 0.04 -0.03 0.12 -0.07 -1.51 0.00 0.00 179.97 178.53 3ia0 h LEU 100 N -0.74 0.77 -0.87 3.80 3.38 -0.94 -3.34 115.31 117.36 3ia0 h LEU 100 Ca -0.00 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3ia0 h LEU 100 Cb 0.03 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3ia0 h LEU 100 CO 0.01 0.76 0.00 0.18 0.09 0.00 0.00 178.44 179.48 3ia0 n LEU 101 N -4.27 0.81 -3.72 1.67 4.77 0.04 -5.02 117.00 111.28 3ia0 n LEU 101 Ca 0.04 -0.81 -0.24 0.00 -0.03 0.00 0.00 56.01 54.97 3ia0 n LEU 101 Cb 0.23 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.36 3ia0 n LEU 101 CO 0.40 0.20 0.03 -3.20 -1.33 0.00 0.00 177.39 173.50 3ia0 n ASN 102 N -0.02 -2.81 -4.80 -1.43 5.15 -0.60 -4.92 115.26 105.82 3ia0 n ASN 102 Ca 0.00 -0.76 -0.32 0.00 -0.60 0.00 0.00 54.58 52.91 3ia0 n ASN 102 Cb 0.08 -4.23 0.05 0.00 -0.53 0.00 0.00 39.78 35.14 3ia0 n ASN 102 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3ia0 s TYR 103 N -3.50 2.91 -0.03 1.20 4.12 -1.14 -4.93 117.35 115.98 3ia0 s TYR 103 Ca 0.25 1.49 -0.30 0.00 0.02 0.00 0.00 57.07 58.52 3ia0 s TYR 103 Cb -0.12 -2.98 -0.04 0.00 -1.52 0.00 0.00 41.96 37.31 3ia0 s TYR 103 CO 0.80 -1.38 1.15 0.99 0.02 0.00 0.00 175.55 177.13 3ia0 s THR 104 N -2.79 4.33 0.51 -0.71 2.01 -0.70 -4.59 115.64 113.70 3ia0 s THR 104 Ca 0.61 1.66 0.06 0.00 0.31 0.00 0.00 61.69 64.33 3ia0 s THR 104 Cb -0.16 -4.07 0.02 0.00 0.01 0.00 0.00 72.50 68.31 3ia0 s THR 104 CO 0.49 0.04 0.41 -0.76 -0.69 0.00 0.00 174.62 174.12 3ia0 s LEU 105 N 1.79 2.91 0.00 4.42 1.02 -1.26 -0.53 118.68 127.03 3ia0 s LEU 105 Ca 0.55 -1.10 0.05 0.00 0.02 0.00 0.00 54.13 53.65 3ia0 s LEU 105 Cb -0.25 -1.42 -0.02 0.00 0.02 0.00 0.00 46.19 44.52 3ia0 s LEU 105 CO 0.24 -0.99 0.17 0.00 0.02 0.00 0.00 176.35 175.79 3ia0 s GLU 107 N -3.47 4.05 0.31 0.00 0.41 -1.26 -5.01 118.70 113.73 3ia0 s GLU 107 Ca 0.24 0.62 -0.27 0.00 -0.41 0.00 0.00 54.97 55.14 3ia0 s GLU 107 Cb 0.01 -2.82 -0.09 0.00 -1.78 0.00 0.00 34.13 29.45 3ia0 s GLU 107 CO 0.17 0.39 1.00 1.41 -0.49 0.00 0.00 175.26 177.74 3ia0 s MET 108 N -2.19 4.59 0.20 1.61 -2.45 -1.26 -4.33 119.30 115.46 3ia0 s MET 108 Ca 0.43 1.52 0.04 0.00 -1.25 0.00 0.00 55.69 56.42 3ia0 s MET 108 Cb -0.14 -2.96 -0.05 0.00 1.25 0.00 0.00 34.83 32.92 3ia0 s MET 108 CO 0.20 0.24 -0.03 0.95 1.05 0.00 0.00 175.02 177.43 3ia0 s THR 109 N -1.41 1.03 -0.04 10.11 -4.23 -0.58 -5.03 115.64 115.49 3ia0 s THR 109 Ca 0.48 -2.04 -0.16 0.00 -1.18 0.00 0.00 61.69 58.79 3ia0 s THR 109 Cb -0.24 -2.16 0.03 0.00 1.34 0.00 0.00 72.50 71.47 3ia0 s THR 109 CO 0.31 -0.48 0.36 -1.59 -0.54 0.00 0.00 174.62 172.68 3ia0 s LYS 110 N -3.83 0.66 -0.10 3.99 0.00 -1.26 0.33 119.74 119.53 3ia0 s LYS 110 Ca 0.24 -0.00 0.02 0.00 0.00 0.00 0.00 55.97 56.23 3ia0 s LYS 110 Cb 0.05 0.30 0.01 0.00 0.00 0.00 0.00 37.83 38.19 3ia0 s LYS 110 CO 0.06 -0.17 -0.17 -1.12 0.00 0.00 0.00 175.35 173.95 3ia0 s SER 111 N -1.00 2.46 0.10 0.03 0.01 0.73 -4.94 113.70 111.09 3ia0 s SER 111 Ca -0.11 -0.44 0.05 0.00 1.31 0.00 0.00 55.95 56.77 3ia0 s SER 111 Cb -0.04 -1.12 -0.03 0.00 0.21 0.00 0.00 66.02 65.04 3ia0 s SER 111 CO 0.04 0.05 -0.13 -0.76 0.41 0.00 0.00 173.24 172.85 3ia0 s LEU 112 N 0.78 2.36 0.00 2.44 1.43 -1.26 -2.04 118.68 122.40 3ia0 s LEU 112 Ca -0.11 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.25 3ia0 s LEU 112 Cb -0.16 -0.47 0.00 0.00 0.03 0.00 0.00 46.19 45.59 3ia0 s LEU 112 CO 0.02 -0.15 0.00 -0.62 0.23 0.00 0.00 176.35 175.82