#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 0.92 -0.21 1.97 2.02 -1.26 -5.13 118.70 117.01 3ia0 s GLU 4 Ca 0.00 -0.33 -0.06 0.00 0.02 0.00 0.00 54.97 54.60 3ia0 s GLU 4 Cb 0.00 -0.87 -0.03 0.00 0.10 0.00 0.00 34.13 33.33 3ia0 s GLU 4 CO 0.00 0.16 0.02 1.03 0.02 0.00 0.00 175.26 176.48 3ia0 s ARG 5 N 0.02 3.63 -0.03 1.61 0.52 -1.26 -5.09 118.95 118.35 3ia0 s ARG 5 Ca -0.00 -0.51 0.06 0.00 -0.52 0.00 0.00 55.73 54.76 3ia0 s ARG 5 Cb -0.07 -3.14 -0.01 0.00 0.52 0.00 0.00 34.95 32.25 3ia0 s ARG 5 CO 0.00 -0.03 -0.22 0.42 0.02 0.00 0.00 175.30 175.50 3ia0 s ILE 6 N 1.13 1.74 0.01 1.52 -1.09 -1.26 -5.12 121.20 118.13 3ia0 s ILE 6 Ca 0.03 -0.92 -0.20 0.00 -2.23 0.00 0.00 60.65 57.33 3ia0 s ILE 6 Cb -0.14 -1.46 -0.06 0.00 -1.58 0.00 0.00 42.46 39.22 3ia0 s ILE 6 CO 0.02 0.49 0.57 -0.63 -1.23 0.00 0.00 174.94 174.16 3ia0 s ILE 7 N -0.32 4.88 -0.23 2.92 1.01 -1.26 -5.06 121.20 123.14 3ia0 s ILE 7 Ca 0.03 1.21 -0.02 0.00 0.00 0.00 0.00 60.65 61.87 3ia0 s ILE 7 Cb -0.10 -3.91 0.07 0.00 0.01 0.00 0.00 42.46 38.53 3ia0 s ILE 7 CO 0.01 0.46 0.05 -1.10 0.00 0.00 0.00 174.94 174.35 3ia0 s GLN 8 N -0.45 0.75 -0.36 2.79 -0.21 -1.26 -5.08 119.66 115.84 3ia0 s GLN 8 Ca 0.30 -0.67 -0.29 0.00 0.02 0.00 0.00 55.36 54.72 3ia0 s GLN 8 Cb -0.18 -2.09 0.01 0.00 1.00 0.00 0.00 33.01 31.75 3ia0 s GLN 8 CO 0.17 -0.75 1.25 -1.21 -2.12 0.00 0.00 175.29 172.63 3ia0 s GLU 9 N 1.75 3.84 0.09 2.91 2.02 -1.26 -5.01 118.70 123.04 3ia0 s GLU 9 Ca 0.02 1.02 -0.15 0.00 0.02 0.00 0.00 54.97 55.88 3ia0 s GLU 9 Cb -0.17 -3.89 -0.06 0.00 0.10 0.00 0.00 34.13 30.11 3ia0 s GLU 9 CO -0.14 -1.22 0.51 -0.59 0.02 0.00 0.00 175.26 173.84 3ia0 s PHE 10 N 4.47 3.69 0.02 1.61 -0.12 -1.26 -5.09 117.98 121.30 3ia0 s PHE 10 Ca 0.54 1.07 -0.09 0.00 -0.05 0.00 0.00 56.93 58.40 3ia0 s PHE 10 Cb -0.13 -2.36 0.00 0.00 -0.63 0.00 0.00 43.02 39.90 3ia0 s PHE 10 CO 0.25 0.53 0.19 0.14 -0.05 0.00 0.00 175.22 176.28 3ia0 s VAL 11 N -1.28 0.09 0.37 -2.49 -7.23 -1.26 -5.15 120.40 103.46 3ia0 s VAL 11 Ca 0.32 -0.78 -0.27 0.00 -1.81 0.00 0.00 61.98 59.44 3ia0 s VAL 11 Cb -0.16 -0.72 -0.09 0.00 0.56 0.00 0.00 36.38 35.97 3ia0 s VAL 11 CO 0.18 -0.43 1.22 -2.84 -0.31 0.00 0.00 175.10 172.91 3ia0 s PRO 12 N -2.03 4.17 0.74 4.82 0.02 -1.26 -5.05 135.00 136.41 3ia0 s PRO 12 Ca -0.09 1.99 -0.08 0.00 0.02 0.00 0.00 61.00 62.84 3ia0 s PRO 12 Cb -0.04 -2.84 0.08 0.00 0.02 0.00 0.00 34.50 31.73 3ia0 s PRO 12 CO -0.01 -0.27 1.06 0.20 -0.33 0.00 0.00 177.00 177.65 3ia0 s GLY 13 N -0.88 1.70 -0.34 0.52 0.00 -1.26 -4.92 107.32 102.14 3ia0 s GLY 13 Ca 0.54 -1.00 -0.01 0.00 0.00 0.00 0.00 44.72 44.25 3ia0 s GLY 13 CO 0.44 -0.53 0.08 0.54 0.00 0.00 0.00 173.10 173.63 3ia0 s LYS 14 N -5.34 2.17 -0.22 2.90 1.02 -1.25 -2.86 119.74 116.17 3ia0 s LYS 14 Ca 0.62 -1.53 -0.18 0.00 0.02 0.00 0.00 55.97 54.90 3ia0 s LYS 14 Cb -0.10 -3.32 0.06 0.00 -0.52 0.00 0.00 37.83 33.95 3ia0 s LYS 14 CO 0.46 -0.81 0.57 -1.14 -0.92 0.00 0.00 175.35 173.50 3ia0 s GLN 15 N 1.17 0.64 -0.44 1.68 0.74 -0.56 -1.52 119.66 121.37 3ia0 s GLN 15 Ca 0.01 0.85 -0.17 0.00 0.05 0.00 0.00 55.36 56.10 3ia0 s GLN 15 Cb -0.21 0.26 0.03 0.00 1.10 0.00 0.00 33.01 34.19 3ia0 s GLN 15 CO -0.03 -0.10 0.46 0.08 -0.55 0.00 0.00 175.29 175.15 3ia0 s VAL 16 N 0.61 5.07 -0.04 1.34 1.01 0.45 -1.74 120.40 127.11 3ia0 s VAL 16 Ca -0.02 -0.44 -0.07 0.00 0.00 0.00 0.00 61.98 61.44 3ia0 s VAL 16 Cb -0.05 -4.09 -0.29 0.00 0.00 0.00 0.00 36.38 31.95 3ia0 s VAL 16 CO -0.04 -0.50 0.71 0.74 0.00 0.00 0.00 175.10 176.02 3ia0 h THR 17 N 5.75 0.98 -3.00 3.92 2.02 -1.73 -3.26 112.91 117.60 3ia0 h THR 17 Ca -0.27 -2.60 -0.12 0.00 0.77 0.00 0.00 66.41 64.20 3ia0 h THR 17 Cb 1.11 2.73 -0.20 0.00 -1.74 0.00 0.00 68.15 70.05 3ia0 h THR 17 CO 0.83 0.84 -0.27 -1.48 0.37 0.00 0.00 175.52 175.81 3ia0 s LEU 18 N -7.14 0.80 -0.30 2.58 0.05 -1.25 -4.87 118.68 108.56 3ia0 s LEU 18 Ca -0.14 0.15 -0.04 0.00 0.05 0.00 0.00 54.13 54.16 3ia0 s LEU 18 Cb 0.06 1.29 0.10 0.00 -2.05 0.00 0.00 46.19 45.59 3ia0 s LEU 18 CO 0.85 -0.42 0.14 0.00 -0.55 0.00 0.00 176.35 176.36 3ia0 s ALA 19 N -1.19 0.65 -0.04 1.48 0.00 -1.25 -2.37 121.76 119.05 3ia0 s ALA 19 Ca -0.12 -1.16 0.07 0.00 0.00 0.00 0.00 51.96 50.75 3ia0 s ALA 19 Cb -0.05 -1.41 -0.02 0.00 0.00 0.00 0.00 23.12 21.65 3ia0 s ALA 19 CO 0.04 -1.69 -0.25 -1.58 0.00 0.00 0.00 175.76 172.28 3ia0 s HIS 20 N 2.01 2.30 -0.14 0.00 5.04 0.58 -1.42 115.29 123.66 3ia0 s HIS 20 Ca 0.10 -0.55 -0.05 0.00 -1.54 0.00 0.00 55.06 53.02 3ia0 s HIS 20 Cb -0.17 -1.49 -0.04 0.00 0.04 0.00 0.00 32.58 30.92 3ia0 s HIS 20 CO -0.34 -0.12 0.05 -1.17 -2.34 0.00 0.00 174.74 170.83 3ia0 s LEU 21 N -0.39 3.80 -0.35 8.88 1.98 0.16 -0.39 118.68 132.37 3ia0 s LEU 21 Ca 0.04 0.15 0.01 0.00 -2.89 0.00 0.00 54.13 51.43 3ia0 s LEU 21 Cb -0.11 -1.92 0.11 0.00 0.66 0.00 0.00 46.19 44.92 3ia0 s LEU 21 CO 0.01 0.27 0.13 -0.63 -1.89 0.00 0.00 176.35 174.24 3ia0 s ILE 22 N -0.22 1.27 0.16 6.68 1.01 0.84 -0.23 121.20 130.71 3ia0 s ILE 22 Ca 0.07 -1.87 -0.26 0.00 0.00 0.00 0.00 60.65 58.59 3ia0 s ILE 22 Cb -0.12 -1.94 -0.08 0.00 0.01 0.00 0.00 42.46 40.33 3ia0 s ILE 22 CO 0.02 -0.72 0.81 0.00 0.00 0.00 0.00 174.94 175.05 3ia0 s ALA 23 N 1.16 3.41 -0.89 9.38 0.00 -0.89 -1.36 121.76 132.57 3ia0 s ALA 23 Ca 0.12 0.41 -0.03 0.00 0.00 0.00 0.00 51.96 52.46 3ia0 s ALA 23 Cb -0.19 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 3ia0 s ALA 23 CO -0.16 0.23 0.80 0.72 0.00 0.00 0.00 175.76 177.35 3ia0 n HIS 24 N 1.79 -2.60 0.11 0.00 8.25 -1.26 -4.21 115.22 117.30 3ia0 n HIS 24 Ca -0.04 0.95 -0.03 0.00 -0.26 0.00 0.00 57.72 58.33 3ia0 n HIS 24 Cb 0.49 -4.05 0.11 0.00 1.12 0.00 0.00 29.99 27.65 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 -0.41 0.07 0.00 -0.41 0.11 -1.81 -3.44 132.00 126.11 3ia0 h PRO 25 Ca -0.34 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3ia0 h PRO 25 Cb 1.17 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3ia0 h PRO 25 CO 0.37 0.73 0.00 0.41 -0.21 0.00 0.00 178.00 179.30 3ia0 n GLY 26 N 0.45 0.38 0.30 -0.55 0.00 -1.26 -4.46 105.19 100.05 3ia0 n GLY 26 Ca -0.02 -1.65 -0.05 0.00 0.00 0.00 0.00 46.02 44.30 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 0.33 1.61 4.81 -1.98 -1.51 114.58 118.72 3ia0 h GLU 27 Ca 0.00 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 58.98 3ia0 h GLU 27 Cb 0.00 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.28 3ia0 h GLU 27 CO 0.00 0.86 -0.16 1.49 -0.73 0.00 0.00 179.01 180.47 3ia0 h GLU 28 N 0.83 -0.43 -0.57 1.92 4.81 -1.99 0.44 114.58 119.58 3ia0 h GLU 28 Ca 0.16 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 3ia0 h GLU 28 Cb 0.44 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 3ia0 h GLU 28 CO 0.02 -0.21 0.37 1.25 -0.73 0.00 0.00 179.01 179.71 3ia0 h LEU 29 N -0.55 0.67 -0.69 1.64 5.85 -1.77 -1.62 115.31 118.83 3ia0 h LEU 29 Ca -0.05 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.71 3ia0 h LEU 29 Cb 0.41 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 3ia0 h LEU 29 CO 0.07 0.49 0.39 0.00 -0.34 0.00 0.00 178.44 179.06 3ia0 h ALA 30 N 1.20 0.93 -0.14 1.25 0.00 -1.11 0.01 119.26 121.41 3ia0 h ALA 30 Ca 0.21 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3ia0 h ALA 30 Cb -0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3ia0 h ALA 30 CO -0.04 0.07 0.05 -0.22 0.00 0.00 0.00 179.25 179.11 3ia0 h LYS 31 N 0.71 0.21 -0.40 0.00 3.64 -0.57 0.20 116.57 120.36 3ia0 h LYS 31 Ca 0.31 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.71 3ia0 h LYS 31 Cb 0.19 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.93 3ia0 h LYS 31 CO -0.18 0.31 0.08 0.87 -2.27 0.00 0.00 179.45 178.25 3ia0 h LYS 32 N 0.06 0.20 0.00 1.90 1.79 -0.87 -2.69 116.57 116.96 3ia0 h LYS 32 Ca 0.05 -0.01 -0.08 0.00 -2.18 0.00 0.00 60.65 58.42 3ia0 h LYS 32 Cb 0.18 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.78 3ia0 h LYS 32 CO -0.00 0.13 -0.38 0.82 -1.08 0.00 0.00 179.45 178.94 3ia0 h ILE 33 N 0.20 0.98 -0.79 1.86 2.04 -0.78 -3.47 117.51 117.54 3ia0 h ILE 33 Ca 0.19 -1.46 0.00 0.00 1.00 0.00 0.00 64.86 64.60 3ia0 h ILE 33 Cb 0.24 1.86 0.00 0.00 -0.74 0.00 0.00 36.82 38.18 3ia0 h ILE 33 CO -0.26 0.37 0.00 0.61 0.00 0.00 0.00 178.15 178.87 3ia0 n GLY 34 N 0.04 0.94 3.34 5.37 0.00 -0.01 -5.01 105.19 109.86 3ia0 n GLY 34 Ca -0.01 -0.50 -0.18 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.74 1.30 0.66 1.61 -7.23 -0.81 -4.87 120.40 108.33 3ia0 s VAL 35 Ca 0.00 -2.08 -0.17 0.00 -1.81 0.00 0.00 61.98 57.92 3ia0 s VAL 35 Cb 0.00 -2.24 0.00 0.00 0.56 0.00 0.00 36.38 34.70 3ia0 s VAL 35 CO 0.00 -0.43 1.22 -2.84 -0.31 0.00 0.00 175.10 172.74 3ia0 s PRO 36 N -3.78 2.53 0.67 4.82 0.02 -1.26 -4.42 135.00 133.58 3ia0 s PRO 36 Ca 0.26 1.81 -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 0.08 -1.55 1.02 0.34 -0.33 0.00 0.00 177.00 176.56 3ia0 s ASP 37 N -1.80 5.39 -1.18 2.53 2.15 -1.26 -4.24 116.67 118.26 3ia0 s ASP 37 Ca 0.76 0.89 0.00 0.00 0.43 0.00 0.00 52.55 54.63 3ia0 s ASP 37 Cb -0.31 -1.73 0.00 0.00 -0.30 0.00 0.00 42.92 40.59 3ia0 s ASP 37 CO 0.40 -1.29 0.00 0.00 -0.17 0.00 0.00 175.17 174.11 3ia0 n ALA 38 N -2.85 -0.23 -2.66 3.66 0.00 -1.26 -5.01 120.51 112.16 3ia0 n ALA 38 Ca 0.06 0.16 -0.18 0.00 0.00 0.00 0.00 53.44 53.48 3ia0 n ALA 38 Cb 0.58 -1.40 -0.12 0.00 0.00 0.00 0.00 19.45 18.51 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 1.15 0.89 0.00 -7.23 -1.26 -5.01 120.40 106.45 3ia0 s VAL 39 Ca 0.00 -1.39 -0.12 0.00 -1.81 0.00 0.00 61.98 58.66 3ia0 s VAL 39 Cb 0.00 -1.17 0.12 0.00 0.56 0.00 0.00 36.38 35.89 3ia0 s VAL 39 CO 0.00 -0.27 1.10 0.00 -0.31 0.00 0.00 175.10 175.63 3ia0 s ALA 40 N -1.46 1.70 -0.02 1.32 0.00 0.16 -4.51 121.76 118.94 3ia0 s ALA 40 Ca 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 51.96 51.72 3ia0 s ALA 40 Cb -0.09 -3.13 0.02 0.00 0.00 0.00 0.00 23.12 19.92 3ia0 s ALA 40 CO 0.02 -2.23 0.04 0.42 0.00 0.00 0.00 175.76 174.01 3ia0 s ILE 41 N -3.06 -0.03 -0.11 0.00 1.01 -0.46 -2.58 121.20 115.96 3ia0 s ILE 41 Ca 0.63 0.10 -0.00 0.00 0.00 0.00 0.00 60.65 61.38 3ia0 s ILE 41 Cb -0.16 -0.08 -0.02 0.00 0.01 0.00 0.00 42.46 42.20 3ia0 s ILE 41 CO 0.56 0.04 -0.10 -0.83 0.00 0.00 0.00 174.94 174.61 3ia0 s GLY 42 N 0.54 1.61 -0.11 6.18 0.00 -0.06 -0.11 107.32 115.37 3ia0 s GLY 42 Ca -0.04 -0.89 0.02 0.00 0.00 0.00 0.00 44.72 43.81 3ia0 s GLY 42 CO -0.02 -0.35 -0.16 -0.42 0.00 0.00 0.00 173.10 172.15 3ia0 s ILE 43 N -0.06 1.54 -0.02 0.90 1.01 0.48 -1.92 121.20 123.13 3ia0 s ILE 43 Ca -0.01 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 59.99 3ia0 s ILE 43 Cb -0.14 -1.39 0.00 0.00 0.01 0.00 0.00 42.46 40.94 3ia0 s ILE 43 CO 0.03 0.45 -0.10 -0.04 0.00 0.00 0.00 174.94 175.28 3ia0 s MET 44 N 0.90 1.01 -0.12 2.79 -1.94 -0.98 -0.31 119.30 120.65 3ia0 s MET 44 Ca -0.08 -0.35 -0.02 0.00 -1.71 0.00 0.00 55.69 53.53 3ia0 s MET 44 Cb -0.15 -0.94 -0.03 0.00 2.01 0.00 0.00 34.83 35.72 3ia0 s MET 44 CO -0.00 0.15 -0.03 0.95 -0.01 0.00 0.00 175.02 176.08 3ia0 s THR 45 N 0.08 4.00 0.02 2.05 -4.23 -1.00 -2.49 115.64 114.07 3ia0 s THR 45 Ca -0.02 -0.34 0.02 0.00 -1.18 0.00 0.00 61.69 60.17 3ia0 s THR 45 Cb -0.08 -2.71 -0.01 0.00 1.34 0.00 0.00 72.50 71.04 3ia0 s THR 45 CO 0.00 0.55 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.80 3ia0 s LEU 46 N -0.26 2.12 -0.05 4.79 1.43 -0.60 -2.14 118.68 123.97 3ia0 s LEU 46 Ca 0.05 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 3ia0 s LEU 46 Cb -0.13 -0.26 0.02 0.00 0.03 0.00 0.00 46.19 45.85 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 -0.68 0.62 1.02 5.49 2.01 -0.71 -4.10 115.64 119.30 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 -0.63 0.21 0.00 0.01 0.00 0.00 72.50 72.03 3ia0 s THR 47 CO 0.00 0.24 1.19 -2.16 -0.69 0.00 0.00 174.62 173.21 3ia0 s PRO 48 N 0.87 0.23 0.48 4.92 0.04 -1.13 -1.50 135.00 138.91 3ia0 s PRO 48 Ca -0.12 -0.07 0.14 0.00 0.04 0.00 0.00 61.00 61.00 3ia0 s PRO 48 Cb -0.15 -1.77 1.15 0.00 0.04 0.00 0.00 34.50 33.78 3ia0 s PRO 48 CO 0.01 -2.75 2.09 0.78 0.04 0.00 0.00 177.00 177.17 3ia0 h GLY 49 N -1.89 0.21 2.00 0.56 0.00 -1.78 -1.68 103.07 100.50 3ia0 h GLY 49 Ca -0.47 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 46.79 3ia0 h GLY 49 CO 0.45 0.07 0.00 1.18 0.00 0.00 0.00 176.54 178.24 3ia0 n GLU 50 N -4.50 0.13 0.31 4.80 4.71 -1.22 -2.66 120.64 122.22 3ia0 n GLU 50 Ca 0.01 0.40 0.19 0.00 -0.01 0.00 0.00 57.16 57.76 3ia0 n GLU 50 Cb 0.16 -1.77 0.98 0.00 -1.01 0.00 0.00 31.44 29.80 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 0.13 -0.14 2.62 2.02 -1.64 -2.79 112.91 113.11 3ia0 h THR 51 Ca 0.00 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 3ia0 h THR 51 Cb 0.29 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 3ia0 h THR 51 CO 0.00 0.02 -0.05 0.00 0.37 0.00 0.00 175.52 175.86 3ia0 h ALA 52 N 1.98 1.65 -0.32 6.16 0.00 -1.73 0.94 119.26 127.94 3ia0 h ALA 52 Ca -0.00 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.60 3ia0 h ALA 52 Cb 0.20 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3ia0 h ALA 52 CO 0.00 0.26 -0.49 0.52 0.00 0.00 0.00 179.25 179.54 3ia0 h MET 53 N 0.20 0.90 -0.15 0.00 2.86 -1.75 0.04 114.93 117.03 3ia0 h MET 53 Ca 0.05 -0.53 -0.03 0.00 -2.06 0.00 0.00 59.70 57.13 3ia0 h MET 53 Cb 0.23 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 3ia0 h MET 53 CO 0.01 1.17 -0.01 0.82 1.06 0.00 0.00 176.91 179.96 3ia0 h ILE 54 N 0.70 1.27 -0.85 -1.22 2.04 -1.51 -2.13 117.51 115.81 3ia0 h ILE 54 Ca 0.03 -0.90 -0.03 0.00 1.00 0.00 0.00 64.86 64.96 3ia0 h ILE 54 Cb 1.09 1.57 -0.04 0.00 -0.74 0.00 0.00 36.82 38.70 3ia0 h ILE 54 CO 0.11 0.26 0.43 0.00 0.00 0.00 0.00 178.15 178.96 3ia0 h ALA 55 N 0.74 1.15 -0.48 1.87 0.00 -0.87 -1.93 119.26 119.74 3ia0 h ALA 55 Ca 0.04 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.88 3ia0 h ALA 55 Cb 0.41 -0.34 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 3ia0 h ALA 55 CO 0.01 0.66 0.11 0.78 0.00 0.00 0.00 179.25 180.80 3ia0 h GLY 56 N 1.22 0.59 0.69 0.00 0.00 -0.88 0.51 103.07 105.21 3ia0 h GLY 56 Ca 0.30 -0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.60 3ia0 h GLY 56 CO -0.04 -0.05 -0.22 -1.80 0.00 0.00 0.00 176.54 174.42 3ia0 h ASP 57 N 0.25 -0.61 -0.02 0.19 3.58 -0.97 -2.35 116.42 116.49 3ia0 h ASP 57 Ca 0.24 0.06 0.03 0.00 0.42 0.00 0.00 57.03 57.78 3ia0 h ASP 57 Cb 0.31 0.22 -0.04 0.00 1.72 0.00 0.00 39.33 41.54 3ia0 h ASP 57 CO -0.30 -0.32 -0.18 -0.07 -2.88 0.00 0.00 179.24 175.48 3ia0 h LEU 58 N -0.45 -0.54 -0.49 2.28 3.38 -0.74 -2.43 115.31 116.32 3ia0 h LEU 58 Ca 0.01 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.07 3ia0 h LEU 58 Cb 0.44 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 3ia0 h LEU 58 CO -0.08 -0.25 0.31 0.00 0.09 0.00 0.00 178.44 178.52 3ia0 h ALA 59 N 0.64 0.62 -0.74 1.53 0.00 -0.90 -1.06 119.26 119.35 3ia0 h ALA 59 Ca 0.06 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3ia0 h ALA 59 Cb 0.37 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3ia0 h ALA 59 CO -0.19 0.04 0.48 -0.07 0.00 0.00 0.00 179.25 179.52 3ia0 h LEU 60 N 0.63 0.74 0.00 0.00 3.38 -1.25 -2.09 115.31 116.71 3ia0 h LEU 60 Ca 0.19 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3ia0 h LEU 60 Cb -0.04 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.55 3ia0 h LEU 60 CO -0.06 0.50 -0.19 0.11 0.09 0.00 0.00 178.44 178.89 3ia0 h LYS 61 N 0.85 0.00 0.07 1.13 1.57 -0.89 -3.36 116.57 115.94 3ia0 h LYS 61 Ca 0.30 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.79 3ia0 h LYS 61 Cb 0.13 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 3ia0 h LYS 61 CO -0.09 0.00 -1.56 0.00 -0.57 0.00 0.00 179.45 177.22 3ia0 h ALA 62 N 2.43 0.46 -2.98 3.86 0.00 -0.50 -3.49 119.26 119.03 3ia0 h ALA 62 Ca 0.00 -1.22 -0.09 0.00 0.00 0.00 0.00 54.91 53.59 3ia0 h ALA 62 Cb 0.79 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3ia0 h ALA 62 CO 0.00 1.31 0.15 0.00 0.00 0.00 0.00 179.25 180.72 3ia0 s ALA 63 N -2.62 -0.31 -1.29 0.00 0.00 -1.15 -4.72 121.76 111.67 3ia0 s ALA 63 Ca -0.08 -0.98 -0.14 0.00 0.00 0.00 0.00 51.96 50.77 3ia0 s ALA 63 Cb 0.08 0.80 0.12 0.00 0.00 0.00 0.00 23.12 24.11 3ia0 s ALA 63 CO 0.83 -0.93 1.75 -3.47 0.00 0.00 0.00 175.76 173.93 3ia0 n ASP 64 N -1.46 4.90 -4.57 0.00 2.03 -1.26 -4.69 116.55 111.49 3ia0 n ASP 64 Ca -0.06 -2.97 -0.26 0.00 0.52 0.00 0.00 54.79 52.02 3ia0 n ASP 64 Cb 0.60 -1.61 -0.11 0.00 -0.72 0.00 0.00 41.12 39.28 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 2.29 1.85 0.07 5.18 -7.23 -1.26 -4.60 120.40 116.69 3ia0 s VAL 65 Ca 0.46 -2.02 0.03 0.00 -1.81 0.00 0.00 61.98 58.64 3ia0 s VAL 65 Cb 0.05 -2.92 -0.03 0.00 0.56 0.00 0.00 36.38 34.04 3ia0 s VAL 65 CO 0.01 -0.02 -0.09 -1.00 -0.31 0.00 0.00 175.10 173.68 3ia0 s HIS 66 N -2.83 0.88 -0.46 2.82 3.76 -0.55 -4.85 115.29 114.06 3ia0 s HIS 66 Ca 0.35 -0.57 -0.27 0.00 -0.15 0.00 0.00 55.06 54.42 3ia0 s HIS 66 Cb 0.09 -0.51 0.03 0.00 1.11 0.00 0.00 32.58 33.30 3ia0 s HIS 66 CO 0.17 -0.05 1.02 0.42 -0.85 0.00 0.00 174.74 175.46 3ia0 s ILE 67 N -1.82 4.36 0.03 0.60 1.01 -1.26 -0.97 121.20 123.15 3ia0 s ILE 67 Ca -0.03 0.98 -0.27 0.00 0.00 0.00 0.00 60.65 61.33 3ia0 s ILE 67 Cb -0.07 -4.51 -0.17 0.00 0.01 0.00 0.00 42.46 37.72 3ia0 s ILE 67 CO 0.00 -0.90 1.41 1.23 0.00 0.00 0.00 174.94 176.68 3ia0 h GLY 68 N 10.84 -0.46 -3.16 6.18 0.00 -0.06 -3.47 103.07 112.93 3ia0 h GLY 68 Ca -0.24 0.17 0.02 0.00 0.00 0.00 0.00 47.33 47.28 3ia0 h GLY 68 CO 1.07 -0.17 0.29 -0.11 0.00 0.00 0.00 176.54 177.62 3ia0 s PHE 69 N -5.21 -0.49 -0.08 5.60 -0.71 -1.03 -4.95 117.98 111.11 3ia0 s PHE 69 Ca -0.15 0.33 -0.00 0.00 -1.04 0.00 0.00 56.93 56.08 3ia0 s PHE 69 Cb 0.03 0.55 0.02 0.00 -1.21 0.00 0.00 43.02 42.41 3ia0 s PHE 69 CO 0.59 -0.75 -0.05 -1.17 -1.34 0.00 0.00 175.22 172.49 3ia0 s LEU 70 N -2.59 1.09 -0.41 -1.99 0.20 -1.26 -1.23 118.68 112.49 3ia0 s LEU 70 Ca 0.02 -0.20 0.03 0.00 0.69 0.00 0.00 54.13 54.66 3ia0 s LEU 70 Cb -0.01 -0.65 0.11 0.00 -0.43 0.00 0.00 46.19 45.22 3ia0 s LEU 70 CO -0.11 -0.11 0.14 -0.62 -0.29 0.00 0.00 176.35 175.37 3ia0 s ASP 71 N 1.50 4.74 0.00 3.68 3.68 0.58 -4.95 116.67 125.89 3ia0 s ASP 71 Ca -0.01 -2.41 0.20 0.00 2.13 0.00 0.00 52.55 52.47 3ia0 s ASP 71 Cb -0.13 -1.67 1.22 0.00 -1.45 0.00 0.00 42.92 40.89 3ia0 s ASP 71 CO -0.04 -0.36 1.68 -2.11 0.13 0.00 0.00 175.17 174.46 3ia0 n ARG 72 N 3.95 0.82 -0.10 4.34 1.85 -1.26 -0.36 116.66 125.89 3ia0 n ARG 72 Ca 0.04 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.74 3ia0 n ARG 72 Cb 0.39 -1.39 -0.05 0.00 -1.05 0.00 0.00 32.46 30.36 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 -0.89 0.17 0.18 2.89 3.01 -1.26 -3.39 117.46 118.17 3ia0 n PHE 73 Ca 0.15 0.07 0.07 0.00 1.01 0.00 0.00 57.45 58.76 3ia0 n PHE 73 Cb 0.07 -0.70 0.15 0.00 -0.01 0.00 0.00 39.48 38.99 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 -1.86 -3.40 113.55 116.30 3ia0 h SER 74 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 3ia0 h SER 74 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3ia0 h SER 74 CO -0.13 0.28 0.00 0.61 -0.87 0.00 0.00 176.83 176.72 3ia0 n GLY 75 N 1.00 0.62 3.81 -0.77 0.00 0.51 -4.63 105.19 105.72 3ia0 n GLY 75 Ca 0.02 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 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 3.26 -0.10 4.61 0.00 -1.00 -1.56 121.76 124.97 3ia0 s ALA 76 Ca 0.00 0.32 -0.04 0.00 0.00 0.00 0.00 51.96 52.24 3ia0 s ALA 76 Cb 0.00 -3.01 0.05 0.00 0.00 0.00 0.00 23.12 20.16 3ia0 s ALA 76 CO 0.00 0.24 0.21 -1.17 0.00 0.00 0.00 175.76 175.04 3ia0 s LEU 77 N -2.35 0.10 -0.15 0.00 2.96 -1.04 -0.31 118.68 117.89 3ia0 s LEU 77 Ca 0.50 0.46 0.02 0.00 -0.22 0.00 0.00 54.13 54.89 3ia0 s LEU 77 Cb -0.15 0.54 0.01 0.00 0.50 0.00 0.00 46.19 47.09 3ia0 s LEU 77 CO 0.20 -0.21 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.13 3ia0 s VAL 78 N 1.90 2.18 0.35 1.68 1.01 -0.37 -2.33 120.40 124.82 3ia0 s VAL 78 Ca -0.03 -0.93 0.09 0.00 0.00 0.00 0.00 61.98 61.11 3ia0 s VAL 78 Cb -0.12 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.32 3ia0 s VAL 78 CO -0.07 0.54 0.06 0.27 0.00 0.00 0.00 175.10 175.90 3ia0 s ILE 79 N 0.96 2.64 0.21 2.22 -4.36 -0.81 0.68 121.20 122.74 3ia0 s ILE 79 Ca -0.03 -1.88 -0.10 0.00 -0.26 0.00 0.00 60.65 58.38 3ia0 s ILE 79 Cb -0.15 -2.87 -0.01 0.00 1.25 0.00 0.00 42.46 40.69 3ia0 s ILE 79 CO -0.05 -0.16 0.36 -0.72 0.24 0.00 0.00 174.94 174.61 3ia0 s TYR 80 N -2.52 0.46 -5.00 1.37 -0.85 -0.15 -0.89 117.35 109.78 3ia0 s TYR 80 Ca 0.36 -0.80 0.00 0.00 -0.52 0.00 0.00 57.07 56.11 3ia0 s TYR 80 Cb 0.00 0.01 0.00 0.00 0.38 0.00 0.00 41.96 42.35 3ia0 s TYR 80 CO 0.20 -0.84 0.00 0.41 -1.52 0.00 0.00 175.55 173.80 3ia0 n GLY 81 N -0.30 0.35 3.73 5.49 0.00 -1.07 -1.48 105.19 111.90 3ia0 n GLY 81 Ca -0.04 -1.57 -0.33 0.00 0.00 0.00 0.00 46.02 44.08 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 4.25 0.26 1.61 1.04 -1.26 -0.67 113.70 114.93 3ia0 s SER 82 Ca 0.00 2.20 -0.02 0.00 0.48 0.00 0.00 55.95 58.61 3ia0 s SER 82 Cb 0.00 -2.57 0.45 0.00 0.10 0.00 0.00 66.02 63.99 3ia0 s SER 82 CO 0.00 -2.22 1.83 0.58 0.98 0.00 0.00 173.24 174.42 3ia0 h VAL 83 N -0.52 0.96 -0.27 5.02 2.07 -1.97 0.46 116.25 122.00 3ia0 h VAL 83 Ca -0.46 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 66.66 3ia0 h VAL 83 Cb 1.27 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3ia0 h VAL 83 CO 0.50 0.17 -0.11 1.23 0.02 0.00 0.00 177.57 179.38 3ia0 h GLY 84 N 0.95 0.60 0.88 2.17 0.00 -1.99 -1.13 103.07 104.55 3ia0 h GLY 84 Ca 0.44 -0.52 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 3ia0 h GLY 84 CO -0.23 0.48 0.06 0.00 0.00 0.00 0.00 176.54 176.85 3ia0 h ALA 85 N 0.75 0.35 -0.83 3.60 0.00 -1.81 -1.86 119.26 119.46 3ia0 h ALA 85 Ca 0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3ia0 h ALA 85 Cb 0.61 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 3ia0 h ALA 85 CO 0.04 0.01 0.38 0.28 0.00 0.00 0.00 179.25 179.96 3ia0 h VAL 86 N 0.26 1.26 -0.54 0.00 2.07 -0.94 -0.28 116.25 118.08 3ia0 h VAL 86 Ca 0.08 -0.75 -0.08 0.00 0.82 0.00 0.00 66.70 66.78 3ia0 h VAL 86 Cb 0.29 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 3ia0 h VAL 86 CO 0.00 0.32 0.04 -0.08 0.02 0.00 0.00 177.57 177.87 3ia0 h GLU 87 N 1.19 0.93 -0.14 1.57 4.81 -1.03 -1.11 114.58 120.80 3ia0 h GLU 87 Ca 0.28 -0.28 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 3ia0 h GLU 87 Cb 0.14 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 3ia0 h GLU 87 CO -0.03 0.93 -0.18 1.49 -0.73 0.00 0.00 179.01 180.49 3ia0 h GLU 88 N 0.81 0.36 -0.53 1.92 4.57 -1.16 -1.58 114.58 118.98 3ia0 h GLU 88 Ca 0.16 -0.21 0.09 0.00 -1.18 0.00 0.00 59.36 58.22 3ia0 h GLU 88 Cb 0.48 0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 29.02 3ia0 h GLU 88 CO 0.02 0.78 0.13 0.00 -1.18 0.00 0.00 179.01 178.76 3ia0 h ALA 89 N 0.58 0.62 0.30 2.92 0.00 -0.97 0.19 119.26 122.89 3ia0 h ALA 89 Ca 0.02 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3ia0 h ALA 89 Cb 0.73 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3ia0 h ALA 89 CO 0.04 -0.28 -0.14 -0.07 0.00 0.00 0.00 179.25 178.80 3ia0 h LEU 90 N 0.28 -0.34 -0.32 0.00 3.38 -1.15 -1.22 115.31 115.94 3ia0 h LEU 90 Ca 0.26 -0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.26 3ia0 h LEU 90 Cb 0.35 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 3ia0 h LEU 90 CO -0.32 -0.18 -0.06 -1.28 0.09 0.00 0.00 178.44 176.68 3ia0 h SER 91 N -0.47 -0.26 -0.65 -0.43 0.87 -0.80 -2.00 113.55 109.81 3ia0 h SER 91 Ca -0.04 0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 3ia0 h SER 91 Cb 0.36 0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.47 3ia0 h SER 91 CO 0.07 -0.09 0.35 1.56 -0.53 0.00 0.00 176.83 178.19 3ia0 h GLN 92 N 0.02 0.91 -0.45 2.24 1.08 -0.59 -2.91 115.11 115.41 3ia0 h GLN 92 Ca 0.15 -0.11 -0.11 0.00 -1.45 0.00 0.00 58.65 57.13 3ia0 h GLN 92 Cb 0.23 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.46 3ia0 h GLN 92 CO -0.31 0.70 -0.16 1.15 -0.95 0.00 0.00 178.83 179.26 3ia0 h THR 93 N 0.89 1.27 0.08 -0.54 2.02 -0.73 -0.17 112.91 115.72 3ia0 h THR 93 Ca 0.23 -1.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.14 3ia0 h THR 93 Cb 0.05 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 3ia0 h THR 93 CO -0.04 0.43 -0.04 0.58 0.37 0.00 0.00 175.52 176.83 3ia0 h VAL 94 N 0.76 1.08 -0.91 3.16 2.07 -1.31 -2.23 116.25 118.86 3ia0 h VAL 94 Ca 0.12 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 3ia0 h VAL 94 Cb 0.67 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 3ia0 h VAL 94 CO 0.05 0.14 0.55 0.77 0.02 0.00 0.00 177.57 179.10 3ia0 h SER 95 N -0.36 1.10 -0.59 0.57 4.64 -1.42 -2.44 113.55 115.05 3ia0 h SER 95 Ca -0.01 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 3ia0 h SER 95 Cb 0.31 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.09 3ia0 h SER 95 CO 0.02 0.85 0.33 1.23 -0.87 0.00 0.00 176.83 178.38 3ia0 h GLY 96 N 1.27 0.90 0.95 -0.77 0.00 -0.94 -0.34 103.07 104.14 3ia0 h GLY 96 Ca 0.33 -0.39 -0.13 0.00 0.00 0.00 0.00 47.33 47.13 3ia0 h GLY 96 CO -0.06 0.38 -0.39 1.41 0.00 0.00 0.00 176.54 177.88 3ia0 h LEU 97 N 0.84 0.72 -1.34 3.11 3.38 -0.95 0.76 115.31 121.83 3ia0 h LEU 97 Ca 0.22 -0.54 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 3ia0 h LEU 97 Cb 0.03 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3ia0 h LEU 97 CO -0.03 1.12 -0.31 1.23 0.09 0.00 0.00 178.44 180.53 3ia0 h GLY 98 N 0.35 0.04 0.01 0.83 0.00 -1.21 0.01 103.07 103.09 3ia0 h GLY 98 Ca 0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 3ia0 h GLY 98 CO 0.09 0.03 -0.00 -0.09 0.00 0.00 0.00 176.54 176.56 3ia0 h ARG 99 N 0.03 -0.01 -0.52 4.80 2.43 -0.93 -1.52 114.38 118.65 3ia0 h ARG 99 Ca 0.00 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 3ia0 h ARG 99 Cb 0.57 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 3ia0 h ARG 99 CO 0.04 -0.01 0.08 -0.07 -1.51 0.00 0.00 179.97 178.50 3ia0 h LEU 100 N -0.82 0.77 -0.73 3.80 3.38 -0.93 -3.34 115.31 117.44 3ia0 h LEU 100 Ca -0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3ia0 h LEU 100 Cb 0.01 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.56 3ia0 h LEU 100 CO 0.00 0.78 0.00 0.18 0.09 0.00 0.00 178.44 179.50 3ia0 n LEU 101 N -4.25 0.73 -3.68 1.67 4.77 -0.09 -5.02 117.00 111.12 3ia0 n LEU 101 Ca 0.03 -0.75 -0.23 0.00 -0.03 0.00 0.00 56.01 55.03 3ia0 n LEU 101 Cb 0.25 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.39 3ia0 n LEU 101 CO 0.41 0.18 0.06 -3.20 -1.33 0.00 0.00 177.39 173.51 3ia0 n ASN 102 N -0.05 -3.03 -4.80 -1.43 5.15 -0.57 -4.92 115.26 105.62 3ia0 n ASN 102 Ca 0.00 -0.73 -0.32 0.00 -0.60 0.00 0.00 54.58 52.93 3ia0 n ASN 102 Cb 0.05 -4.38 0.05 0.00 -0.53 0.00 0.00 39.78 34.97 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 -3.47 2.89 -0.02 1.20 4.12 -1.14 -4.93 117.35 116.00 3ia0 s TYR 103 Ca 0.25 1.50 -0.30 0.00 0.02 0.00 0.00 57.07 58.54 3ia0 s TYR 103 Cb -0.12 -3.00 -0.04 0.00 -1.52 0.00 0.00 41.96 37.28 3ia0 s TYR 103 CO 0.79 -1.38 1.19 0.99 0.02 0.00 0.00 175.55 177.16 3ia0 s THR 104 N -2.71 4.22 0.52 -0.71 2.01 -0.57 -4.59 115.64 113.80 3ia0 s THR 104 Ca 0.62 1.56 0.07 0.00 0.31 0.00 0.00 61.69 64.25 3ia0 s THR 104 Cb -0.16 -4.00 0.03 0.00 0.01 0.00 0.00 72.50 68.37 3ia0 s THR 104 CO 0.47 0.04 0.44 -0.76 -0.69 0.00 0.00 174.62 174.12 3ia0 s LEU 105 N 1.80 2.91 0.00 4.42 1.02 -1.26 -0.41 118.68 127.16 3ia0 s LEU 105 Ca 0.57 -1.09 0.05 0.00 0.02 0.00 0.00 54.13 53.68 3ia0 s LEU 105 Cb -0.26 -1.44 -0.02 0.00 0.02 0.00 0.00 46.19 44.50 3ia0 s LEU 105 CO 0.25 -1.02 0.17 0.00 0.02 0.00 0.00 176.35 175.76 3ia0 s GLU 107 N -3.38 4.01 0.32 0.00 0.41 -1.26 -5.01 118.70 113.80 3ia0 s GLU 107 Ca 0.23 0.55 -0.27 0.00 -0.41 0.00 0.00 54.97 55.08 3ia0 s GLU 107 Cb 0.01 -2.83 -0.09 0.00 -1.78 0.00 0.00 34.13 29.44 3ia0 s GLU 107 CO 0.17 0.40 1.01 1.41 -0.49 0.00 0.00 175.26 177.76 3ia0 s MET 108 N -2.19 4.51 0.18 1.61 -2.45 -1.26 -4.31 119.30 115.38 3ia0 s MET 108 Ca 0.42 1.51 0.04 0.00 -1.25 0.00 0.00 55.69 56.41 3ia0 s MET 108 Cb -0.14 -2.88 -0.05 0.00 1.25 0.00 0.00 34.83 33.01 3ia0 s MET 108 CO 0.20 0.17 -0.05 0.95 1.05 0.00 0.00 175.02 177.34 3ia0 s THR 109 N -1.46 1.05 -0.03 10.11 -4.23 -0.51 -5.03 115.64 115.55 3ia0 s THR 109 Ca 0.50 -2.04 -0.12 0.00 -1.18 0.00 0.00 61.69 58.84 3ia0 s THR 109 Cb -0.24 -2.07 0.02 0.00 1.34 0.00 0.00 72.50 71.55 3ia0 s THR 109 CO 0.30 -0.55 0.27 -1.59 -0.54 0.00 0.00 174.62 172.51 3ia0 s LYS 110 N -3.81 0.57 -0.10 3.99 0.00 -1.26 0.37 119.74 119.50 3ia0 s LYS 110 Ca 0.22 -0.13 0.02 0.00 0.00 0.00 0.00 55.97 56.08 3ia0 s LYS 110 Cb 0.04 0.25 0.01 0.00 0.00 0.00 0.00 37.83 38.14 3ia0 s LYS 110 CO 0.04 -0.14 -0.17 -1.12 0.00 0.00 0.00 175.35 173.96 3ia0 s SER 111 N -1.08 2.50 0.10 0.03 0.01 0.68 -4.93 113.70 111.01 3ia0 s SER 111 Ca -0.11 -0.45 0.05 0.00 1.31 0.00 0.00 55.95 56.75 3ia0 s SER 111 Cb -0.05 -1.13 -0.03 0.00 0.21 0.00 0.00 66.02 65.01 3ia0 s SER 111 CO 0.03 0.05 -0.14 -0.76 0.41 0.00 0.00 173.24 172.83 3ia0 s LEU 112 N 0.81 2.34 0.00 2.44 1.43 -1.26 -2.09 118.68 122.35 3ia0 s LEU 112 Ca -0.10 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.28 3ia0 s LEU 112 Cb -0.16 -0.53 0.00 0.00 0.03 0.00 0.00 46.19 45.54 3ia0 s LEU 112 CO 0.01 -0.12 0.00 -0.62 0.23 0.00 0.00 176.35 175.85