#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i96 s ILE 7 N 0.00 2.79 -0.15 1.39 1.01 -1.26 -5.01 121.20 119.96 3i96 s ILE 7 Ca 0.00 0.58 -0.14 0.00 0.00 0.00 0.00 60.65 61.08 3i96 s ILE 7 Cb 0.00 -3.37 -0.05 0.00 0.01 0.00 0.00 42.46 39.06 3i96 s ILE 7 CO 0.00 0.05 0.31 -1.10 0.00 0.00 0.00 174.94 174.20 3i96 s GLN 8 N 0.95 4.25 -0.09 2.79 -0.21 -1.26 -5.08 119.66 121.02 3i96 s GLN 8 Ca 0.67 0.13 -0.13 0.00 0.02 0.00 0.00 55.36 56.06 3i96 s GLN 8 Cb -0.42 -3.42 -0.05 0.00 1.00 0.00 0.00 33.01 30.12 3i96 s GLN 8 CO 0.32 0.24 0.31 -2.00 -2.12 0.00 0.00 175.29 172.04 3i96 s GLU 9 N 0.44 3.95 0.02 2.91 2.12 -1.26 -5.09 118.70 121.79 3i96 s GLU 9 Ca 0.17 0.17 0.05 0.00 0.36 0.00 0.00 54.97 55.72 3i96 s GLU 9 Cb -0.13 -3.30 -0.02 0.00 0.26 0.00 0.00 34.13 30.94 3i96 s GLU 9 CO 0.05 0.52 -0.15 -0.06 -0.54 0.00 0.00 175.26 175.08 3i96 s PHE 10 N -0.43 1.35 0.10 5.30 2.99 -1.26 -5.15 117.98 120.88 3i96 s PHE 10 Ca 0.19 -0.32 -0.02 0.00 0.00 0.00 0.00 56.93 56.78 3i96 s PHE 10 Cb -0.14 -0.82 -0.04 0.00 0.00 0.00 0.00 43.02 42.02 3i96 s PHE 10 CO 0.08 0.03 0.04 0.14 -0.00 0.00 0.00 175.22 175.50 3i96 s VAL 11 N -0.67 0.14 0.42 -0.44 -7.23 -1.26 -5.15 120.40 106.21 3i96 s VAL 11 Ca 0.04 -1.83 -0.24 0.00 -1.81 0.00 0.00 61.98 58.14 3i96 s VAL 11 Cb -0.07 -1.83 -0.08 0.00 0.56 0.00 0.00 36.38 34.95 3i96 s VAL 11 CO 0.01 -0.64 1.10 -2.16 -0.31 0.00 0.00 175.10 173.10 3i96 s PRO 12 N -3.99 4.03 0.60 4.82 0.04 -1.26 -5.05 135.00 134.18 3i96 s PRO 12 Ca 0.17 1.64 -0.07 0.00 0.04 0.00 0.00 61.00 62.79 3i96 s PRO 12 Cb 0.07 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 32.09 3i96 s PRO 12 CO -0.03 -0.29 0.92 0.20 0.04 0.00 0.00 177.00 177.85 3i96 s GLY 13 N -1.43 1.60 -0.42 0.56 0.00 -1.26 -4.96 107.32 101.40 3i96 s GLY 13 Ca 0.59 -0.57 -0.10 0.00 0.00 0.00 0.00 44.72 44.64 3i96 s GLY 13 CO 0.31 -0.29 0.28 0.54 0.00 0.00 0.00 173.10 173.94 3i96 s LYS 14 N -5.03 2.68 -0.08 2.90 1.02 -1.26 -3.12 119.74 116.85 3i96 s LYS 14 Ca 0.54 -1.42 -0.07 0.00 0.02 0.00 0.00 55.97 55.04 3i96 s LYS 14 Cb -0.11 -3.83 0.02 0.00 -0.52 0.00 0.00 37.83 33.39 3i96 s LYS 14 CO 0.47 -0.95 0.21 -1.14 -0.92 0.00 0.00 175.35 173.01 3i96 s GLN 15 N 1.47 0.23 -0.43 1.68 0.74 -0.44 -1.67 119.66 121.24 3i96 s GLN 15 Ca 0.03 0.31 -0.18 0.00 0.05 0.00 0.00 55.36 55.58 3i96 s GLN 15 Cb -0.23 0.08 0.03 0.00 1.10 0.00 0.00 33.01 33.99 3i96 s GLN 15 CO 0.03 -0.05 0.46 0.08 -0.55 0.00 0.00 175.29 175.27 3i96 s VAL 16 N 0.26 5.06 0.07 1.34 1.01 -0.05 -1.17 120.40 126.92 3i96 s VAL 16 Ca -0.01 -0.35 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 3i96 s VAL 16 Cb -0.03 -4.07 -0.27 0.00 0.00 0.00 0.00 36.38 32.01 3i96 s VAL 16 CO -0.01 -0.46 1.15 0.74 0.00 0.00 0.00 175.10 176.52 3i96 h THR 17 N 5.75 1.35 -3.27 3.92 2.02 -1.31 -3.30 112.91 118.07 3i96 h THR 17 Ca -0.26 -2.59 -0.02 0.00 0.77 0.00 0.00 66.41 64.31 3i96 h THR 17 Cb 1.11 2.71 -0.10 0.00 -1.74 0.00 0.00 68.15 70.12 3i96 h THR 17 CO 0.81 0.78 0.05 -1.48 0.37 0.00 0.00 175.52 176.05 3i96 s LEU 18 N -7.68 0.01 -0.34 2.58 0.05 -1.24 -4.90 118.68 107.17 3i96 s LEU 18 Ca -0.08 -0.43 0.04 0.00 0.05 0.00 0.00 54.13 53.71 3i96 s LEU 18 Cb 0.06 2.20 0.17 0.00 -2.05 0.00 0.00 46.19 46.57 3i96 s LEU 18 CO 0.91 -1.05 0.46 0.00 -0.55 0.00 0.00 176.35 176.12 3i96 s ALA 19 N -3.86 -1.34 -0.10 1.48 0.00 -1.25 -2.43 121.76 114.25 3i96 s ALA 19 Ca 0.08 -0.04 0.03 0.00 0.00 0.00 0.00 51.96 52.02 3i96 s ALA 19 Cb -0.01 -2.25 0.01 0.00 0.00 0.00 0.00 23.12 20.87 3i96 s ALA 19 CO -0.04 -1.97 -0.18 -1.58 0.00 0.00 0.00 175.76 171.99 3i96 s HIS 20 N 2.11 2.18 -0.28 0.00 5.04 0.07 -1.88 115.29 122.54 3i96 s HIS 20 Ca 0.13 -0.97 -0.16 0.00 -1.54 0.00 0.00 55.06 52.52 3i96 s HIS 20 Cb -0.11 -1.52 -0.03 0.00 0.04 0.00 0.00 32.58 30.96 3i96 s HIS 20 CO -0.18 -0.45 0.42 -1.17 -2.34 0.00 0.00 174.74 171.02 3i96 s LEU 21 N 0.72 4.10 -0.39 8.88 2.96 -0.05 -1.05 118.68 133.85 3i96 s LEU 21 Ca -0.11 0.28 -0.10 0.00 -0.22 0.00 0.00 54.13 53.98 3i96 s LEU 21 Cb -0.16 -2.50 0.05 0.00 0.50 0.00 0.00 46.19 44.08 3i96 s LEU 21 CO 0.02 -0.25 0.21 -0.63 -1.32 0.00 0.00 176.35 174.38 3i96 s ILE 22 N 2.16 4.33 0.02 6.68 1.01 0.34 -0.51 121.20 135.24 3i96 s ILE 22 Ca 0.17 -1.10 -0.30 0.00 0.00 0.00 0.00 60.65 59.42 3i96 s ILE 22 Cb -0.16 -3.51 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 3i96 s ILE 22 CO 0.10 -0.33 0.97 0.00 0.00 0.00 0.00 174.94 175.69 3i96 s ALA 23 N 1.49 3.17 -1.07 9.38 0.00 -0.33 -1.46 121.76 132.94 3i96 s ALA 23 Ca 0.02 0.54 -0.20 0.00 0.00 0.00 0.00 51.96 52.31 3i96 s ALA 23 Cb -0.21 -3.33 0.01 0.00 0.00 0.00 0.00 23.12 19.60 3i96 s ALA 23 CO 0.04 -0.20 0.71 0.72 0.00 0.00 0.00 175.76 177.03 3i96 n HIS 24 N 3.74 -1.82 -0.14 0.00 8.25 0.16 -4.28 115.22 121.13 3i96 n HIS 24 Ca 0.05 0.44 0.00 0.00 -0.26 0.00 0.00 57.72 57.95 3i96 n HIS 24 Cb 0.51 -3.09 0.26 0.00 1.12 0.00 0.00 29.99 28.79 3i96 n HIS 24 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3i96 h PRO 25 N -1.65 0.84 0.00 -0.41 0.13 -1.78 -3.46 132.00 125.67 3i96 h PRO 25 Ca -0.63 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.41 3i96 h PRO 25 Cb 1.36 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3i96 h PRO 25 CO 0.46 0.62 0.00 0.41 -0.23 0.00 0.00 178.00 179.26 3i96 n GLY 26 N -1.24 1.30 0.22 1.56 0.00 -1.26 -4.52 105.19 101.25 3i96 n GLY 26 Ca 0.06 -1.94 -0.07 0.00 0.00 0.00 0.00 46.02 44.07 3i96 n GLY 26 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3i96 h GLU 27 N 0.00 0.70 -0.01 1.61 4.81 -1.94 -1.54 114.58 118.21 3i96 h GLU 27 Ca 0.00 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3i96 h GLU 27 Cb 0.00 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.23 3i96 h GLU 27 CO 0.00 0.49 0.00 1.49 -0.73 0.00 0.00 179.01 180.27 3i96 h GLU 28 N 0.70 0.01 -0.25 1.92 4.81 -2.00 -0.57 114.58 119.21 3i96 h GLU 28 Ca 0.19 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.38 3i96 h GLU 28 Cb -0.04 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3i96 h GLU 28 CO -0.04 0.15 0.02 1.25 -0.73 0.00 0.00 179.01 179.66 3i96 h LEU 29 N -0.13 0.42 -0.73 1.64 6.46 -1.77 -2.44 115.31 118.74 3i96 h LEU 29 Ca 0.00 -0.29 0.01 0.00 -0.12 0.00 0.00 57.88 57.49 3i96 h LEU 29 Cb 0.14 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 39.93 3i96 h LEU 29 CO -0.00 0.60 0.48 0.00 -0.62 0.00 0.00 178.44 178.90 3i96 h ALA 30 N 0.83 0.93 -0.65 1.25 0.00 -1.18 -2.15 119.26 118.30 3i96 h ALA 30 Ca 0.07 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3i96 h ALA 30 Cb 0.38 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3i96 h ALA 30 CO 0.01 0.33 0.23 -0.22 0.00 0.00 0.00 179.25 179.60 3i96 h LYS 31 N 0.97 0.99 -0.34 0.00 3.64 -1.00 -1.29 116.57 119.54 3i96 h LYS 31 Ca 0.27 -0.20 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3i96 h LYS 31 Cb -0.09 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.56 3i96 h LYS 31 CO -0.07 0.85 0.19 0.87 -2.27 0.00 0.00 179.45 179.02 3i96 h LYS 32 N 0.92 0.46 -0.31 1.90 1.79 -0.90 -2.43 116.57 118.00 3i96 h LYS 32 Ca 0.21 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 3i96 h LYS 32 Cb 0.25 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 3i96 h LYS 32 CO -0.01 0.34 0.00 0.44 -1.08 0.00 0.00 179.45 179.14 3i96 n ILE 33 N -4.45 0.45 -3.34 1.86 -5.35 -1.02 -4.98 119.36 102.52 3i96 n ILE 33 Ca 0.02 -0.72 -0.17 0.00 -0.27 0.00 0.00 62.75 61.61 3i96 n ILE 33 Cb 0.09 1.02 0.08 0.00 -1.74 0.00 0.00 39.64 39.09 3i96 n ILE 33 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i96 n GLY 34 N 1.29 -0.31 3.19 3.28 0.00 -0.56 -5.00 105.19 107.08 3i96 n GLY 34 Ca 0.17 0.07 -0.21 0.00 0.00 0.00 0.00 46.02 46.05 3i96 n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i96 s VAL 35 N -3.31 1.28 0.67 1.61 1.01 -0.78 -4.92 120.40 115.94 3i96 s VAL 35 Ca 0.14 -1.20 -0.17 0.00 0.00 0.00 0.00 61.98 60.75 3i96 s VAL 35 Cb -0.06 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 3i96 s VAL 35 CO 0.66 -0.05 1.00 -2.65 0.00 0.00 0.00 175.10 174.06 3i96 n PRO 36 N 1.58 0.72 -1.93 2.72 -0.02 -1.26 -4.33 135.00 132.47 3i96 n PRO 36 Ca -0.19 0.30 -0.42 0.00 -2.02 0.00 0.00 63.50 61.17 3i96 n PRO 36 Cb 0.54 -2.24 -0.01 0.00 -0.02 0.00 0.00 33.50 31.77 3i96 n PRO 36 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3i96 n ASP 37 N -1.36 3.98 -4.86 2.55 2.03 -1.26 -4.92 116.55 112.71 3i96 n ASP 37 Ca 0.14 -2.84 -0.22 0.00 0.52 0.00 0.00 54.79 52.39 3i96 n ASP 37 Cb 0.49 -1.63 0.07 0.00 -0.72 0.00 0.00 41.12 39.33 3i96 n ASP 37 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3i96 s ALA 38 N 4.18 3.90 0.36 -1.67 0.00 -1.26 -4.99 121.76 122.28 3i96 s ALA 38 Ca 0.52 -1.57 0.03 0.00 0.00 0.00 0.00 51.96 50.94 3i96 s ALA 38 Cb 0.10 -1.99 0.69 0.00 0.00 0.00 0.00 23.12 21.92 3i96 s ALA 38 CO -0.00 -1.05 2.01 0.78 0.00 0.00 0.00 175.76 177.50 3i96 h GLY 39 N -0.16 0.80 -4.15 0.00 0.00 -1.84 -3.41 103.07 94.30 3i96 h GLY 39 Ca -0.39 -0.31 -0.09 0.00 0.00 0.00 0.00 47.33 46.55 3i96 h GLY 39 CO 0.46 0.30 -0.10 0.00 0.00 0.00 0.00 176.54 177.20 3i96 s ALA 40 N -5.63 -1.12 -0.06 3.60 0.00 0.21 0.40 121.76 119.16 3i96 s ALA 40 Ca -0.09 0.59 0.06 0.00 0.00 0.00 0.00 51.96 52.51 3i96 s ALA 40 Cb 0.17 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.42 3i96 s ALA 40 CO 0.76 -0.35 -0.23 0.42 0.00 0.00 0.00 175.76 176.36 3i96 s ILE 41 N -1.62 1.92 -0.07 0.00 1.01 -0.54 -2.25 121.20 119.65 3i96 s ILE 41 Ca -0.11 -0.99 0.02 0.00 0.00 0.00 0.00 60.65 59.58 3i96 s ILE 41 Cb -0.03 -1.63 -0.02 0.00 0.01 0.00 0.00 42.46 40.79 3i96 s ILE 41 CO 0.04 0.54 -0.13 -0.83 0.00 0.00 0.00 174.94 174.56 3i96 s GLY 42 N -0.08 1.55 -0.06 6.18 0.00 0.05 -0.50 107.32 114.46 3i96 s GLY 42 Ca -0.05 -0.94 0.03 0.00 0.00 0.00 0.00 44.72 43.75 3i96 s GLY 42 CO 0.04 -0.59 -0.13 -1.50 0.00 0.00 0.00 173.10 170.91 3i96 s ILE 43 N -0.43 1.18 0.00 0.90 2.07 -0.22 -0.69 121.20 124.01 3i96 s ILE 43 Ca 0.05 -0.53 0.06 0.00 -1.41 0.00 0.00 60.65 58.83 3i96 s ILE 43 Cb -0.12 -1.06 -0.02 0.00 0.13 0.00 0.00 42.46 41.39 3i96 s ILE 43 CO 0.02 0.36 -0.19 -0.04 -1.91 0.00 0.00 174.94 173.18 3i96 s MET 44 N 0.49 1.48 -0.13 3.50 -1.94 -0.07 -0.75 119.30 121.89 3i96 s MET 44 Ca -0.12 -0.76 0.00 0.00 -1.71 0.00 0.00 55.69 53.11 3i96 s MET 44 Cb -0.14 -1.48 -0.01 0.00 2.01 0.00 0.00 34.83 35.20 3i96 s MET 44 CO 0.03 0.40 -0.15 0.99 -0.01 0.00 0.00 175.02 176.28 3i96 s THR 45 N -0.56 2.87 0.02 2.05 2.01 -1.02 -1.48 115.64 119.52 3i96 s THR 45 Ca 0.07 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.38 3i96 s THR 45 Cb -0.08 -2.20 -0.01 0.00 0.01 0.00 0.00 72.50 70.22 3i96 s THR 45 CO 0.00 0.52 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.62 3i96 s LEU 46 N 0.45 2.11 -0.02 4.42 1.43 -1.03 -0.87 118.68 125.16 3i96 s LEU 46 Ca -0.11 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 52.72 3i96 s LEU 46 Cb -0.16 -0.32 0.00 0.00 0.03 0.00 0.00 46.19 45.74 3i96 s LEU 46 CO 0.05 -0.01 -0.08 -0.89 0.23 0.00 0.00 176.35 175.65 3i96 s THR 47 N -0.62 0.71 0.96 5.49 2.01 -0.31 -4.03 115.64 119.85 3i96 s THR 47 Ca -0.01 -0.32 -0.11 0.00 0.31 0.00 0.00 61.69 61.56 3i96 s THR 47 Cb -0.05 -0.64 0.17 0.00 0.01 0.00 0.00 72.50 71.98 3i96 s THR 47 CO 0.00 0.23 1.09 -2.16 -0.69 0.00 0.00 174.62 173.09 3i96 s PRO 48 N 0.23 0.69 0.53 4.92 0.04 -1.18 -1.33 135.00 138.90 3i96 s PRO 48 Ca -0.03 1.07 0.20 0.00 0.04 0.00 0.00 61.00 62.27 3i96 s PRO 48 Cb -0.08 -1.72 1.35 0.00 0.04 0.00 0.00 34.50 34.08 3i96 s PRO 48 CO 0.00 -2.70 2.12 0.78 0.04 0.00 0.00 177.00 177.24 3i96 h GLY 49 N -1.90 0.00 2.00 0.56 0.00 -1.75 -1.27 103.07 100.72 3i96 h GLY 49 Ca -0.50 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 3i96 h GLY 49 CO 0.49 0.00 -0.01 0.83 0.00 0.00 0.00 176.54 177.85 3i96 h GLU 50 N 0.00 0.00 -0.36 4.80 3.07 -1.90 -1.61 114.58 118.58 3i96 h GLU 50 Ca 0.06 0.00 0.10 0.00 -0.50 0.00 0.00 59.36 59.02 3i96 h GLU 50 Cb 0.25 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 3i96 h GLU 50 CO -0.00 0.01 0.33 1.15 -1.40 0.00 0.00 179.01 179.11 3i96 h THR 51 N 0.00 0.52 -0.06 1.13 2.02 -1.57 -1.75 112.91 113.20 3i96 h THR 51 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 3i96 h THR 51 Cb 0.07 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 67.23 3i96 h THR 51 CO 0.00 0.00 0.03 0.00 0.37 0.00 0.00 175.52 175.92 3i96 h ALA 52 N 1.67 1.93 -0.30 6.16 0.00 -1.50 0.91 119.26 128.14 3i96 h ALA 52 Ca 0.17 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 3i96 h ALA 52 Cb 0.83 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3i96 h ALA 52 CO -0.00 0.06 -0.35 0.52 0.00 0.00 0.00 179.25 179.48 3i96 h MET 53 N 0.09 0.76 -0.31 0.00 2.86 -1.54 -1.04 114.93 115.75 3i96 h MET 53 Ca 0.02 -0.42 -0.06 0.00 -2.06 0.00 0.00 59.70 57.18 3i96 h MET 53 Cb 0.02 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 3i96 h MET 53 CO -0.00 1.05 -0.05 0.82 1.06 0.00 0.00 176.91 179.79 3i96 h ILE 54 N 0.52 1.27 -0.47 -1.22 2.04 -1.42 -3.05 117.51 115.18 3i96 h ILE 54 Ca 0.04 -1.06 -0.05 0.00 1.00 0.00 0.00 64.86 64.80 3i96 h ILE 54 Cb 0.94 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 3i96 h ILE 54 CO 0.08 0.34 0.09 0.00 0.00 0.00 0.00 178.15 178.67 3i96 h ALA 55 N 0.81 1.29 -0.76 1.87 0.00 -0.84 -2.53 119.26 119.10 3i96 h ALA 55 Ca 0.08 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3i96 h ALA 55 Cb 0.52 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3i96 h ALA 55 CO 0.03 0.50 0.50 0.78 0.00 0.00 0.00 179.25 181.05 3i96 h GLY 56 N 0.91 1.07 0.92 0.00 0.00 -1.10 0.09 103.07 104.96 3i96 h GLY 56 Ca 0.15 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 3i96 h GLY 56 CO 0.00 0.37 0.04 -1.80 0.00 0.00 0.00 176.54 175.16 3i96 h ASP 57 N 1.01 0.10 -0.84 0.19 3.58 -1.37 -1.70 116.42 117.39 3i96 h ASP 57 Ca 0.28 -0.10 0.02 0.00 0.42 0.00 0.00 57.03 57.65 3i96 h ASP 57 Cb -0.09 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 40.89 3i96 h ASP 57 CO -0.07 0.17 0.55 -0.07 -2.88 0.00 0.00 179.24 176.94 3i96 h LEU 58 N 0.03 0.94 -0.07 2.28 3.38 -1.05 -2.15 115.31 118.67 3i96 h LEU 58 Ca 0.03 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3i96 h LEU 58 Cb 0.09 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3i96 h LEU 58 CO -0.00 0.67 0.02 0.00 0.09 0.00 0.00 178.44 179.21 3i96 h ALA 59 N 1.32 0.09 -0.65 1.53 0.00 -0.80 -2.11 119.26 118.64 3i96 h ALA 59 Ca 0.32 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3i96 h ALA 59 Cb -0.08 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3i96 h ALA 59 CO -0.08 -0.27 0.36 -0.07 0.00 0.00 0.00 179.25 179.18 3i96 h LEU 60 N -0.11 0.80 0.00 0.00 3.38 -1.17 -2.39 115.31 115.83 3i96 h LEU 60 Ca 0.02 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3i96 h LEU 60 Cb 0.25 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3i96 h LEU 60 CO 0.00 0.65 -0.02 0.29 0.09 0.00 0.00 178.44 179.44 3i96 n LYS 61 N -4.38 0.24 0.03 1.13 5.02 -0.82 -3.92 118.16 115.46 3i96 n LYS 61 Ca 0.06 0.19 -0.08 0.00 -2.02 0.00 0.00 58.31 56.47 3i96 n LYS 61 Cb 0.10 -1.77 -0.13 0.00 -0.02 0.00 0.00 35.03 33.21 3i96 n LYS 61 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i96 h ALA 62 N 2.57 0.49 -2.53 7.82 0.00 -0.84 -3.49 119.26 123.29 3i96 h ALA 62 Ca 0.00 -1.10 0.14 0.00 0.00 0.00 0.00 54.91 53.95 3i96 h ALA 62 Cb 0.71 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 3i96 h ALA 62 CO 0.00 1.36 0.44 0.00 0.00 0.00 0.00 179.25 181.05 3i96 s ALA 63 N -2.67 -1.50 -1.42 0.00 0.00 -1.19 -4.75 121.76 110.23 3i96 s ALA 63 Ca -0.01 -0.08 -0.14 0.00 0.00 0.00 0.00 51.96 51.73 3i96 s ALA 63 Cb 0.09 0.70 0.06 0.00 0.00 0.00 0.00 23.12 23.97 3i96 s ALA 63 CO 0.82 -1.04 2.12 -3.47 0.00 0.00 0.00 175.76 174.19 3i96 n ASP 64 N -0.64 4.15 -4.55 0.00 2.03 -1.26 -4.70 116.55 111.58 3i96 n ASP 64 Ca -0.05 -2.88 -0.26 0.00 0.52 0.00 0.00 54.79 52.12 3i96 n ASP 64 Cb 0.60 -1.65 -0.11 0.00 -0.72 0.00 0.00 41.12 39.24 3i96 n ASP 64 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3i96 s VAL 65 N 3.04 1.81 0.19 5.18 -7.23 -1.26 -4.54 120.40 117.59 3i96 s VAL 65 Ca 0.47 -2.04 0.04 0.00 -1.81 0.00 0.00 61.98 58.64 3i96 s VAL 65 Cb 0.12 -2.86 -0.05 0.00 0.56 0.00 0.00 36.38 34.15 3i96 s VAL 65 CO -0.06 -0.05 -0.04 -1.00 -0.31 0.00 0.00 175.10 173.65 3i96 s HIS 66 N -2.86 1.40 -0.24 2.82 3.76 -0.56 -4.84 115.29 114.76 3i96 s HIS 66 Ca 0.35 -0.88 -0.21 0.00 -0.15 0.00 0.00 55.06 54.16 3i96 s HIS 66 Cb 0.08 -0.78 -0.02 0.00 1.11 0.00 0.00 32.58 32.98 3i96 s HIS 66 CO 0.17 -0.03 0.66 0.42 -0.85 0.00 0.00 174.74 175.11 3i96 s ILE 67 N -3.43 4.96 -0.04 0.60 1.01 -1.26 -1.04 121.20 122.01 3i96 s ILE 67 Ca 0.24 1.21 -0.20 0.00 0.00 0.00 0.00 60.65 61.90 3i96 s ILE 67 Cb 0.05 -3.97 -0.14 0.00 0.01 0.00 0.00 42.46 38.41 3i96 s ILE 67 CO 0.05 0.02 0.86 1.23 0.00 0.00 0.00 174.94 177.10 3i96 h GLY 68 N 8.86 -0.38 -2.90 6.18 0.00 -0.47 -3.48 103.07 110.89 3i96 h GLY 68 Ca -0.27 0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 3i96 h GLY 68 CO 0.79 -0.14 0.13 -0.11 0.00 0.00 0.00 176.54 177.21 3i96 s PHE 69 N -3.61 -0.39 -0.06 5.60 -0.71 -0.96 -4.91 117.98 112.94 3i96 s PHE 69 Ca -0.11 0.12 -0.02 0.00 -1.04 0.00 0.00 56.93 55.87 3i96 s PHE 69 Cb 0.01 0.48 0.03 0.00 -1.21 0.00 0.00 43.02 42.33 3i96 s PHE 69 CO 0.41 -0.85 0.06 -1.17 -1.34 0.00 0.00 175.22 172.32 3i96 s LEU 70 N -2.79 0.22 -0.25 -1.99 0.20 -1.26 -1.08 118.68 111.73 3i96 s LEU 70 Ca 0.03 -0.02 0.02 0.00 0.69 0.00 0.00 54.13 54.86 3i96 s LEU 70 Cb -0.01 -0.19 0.06 0.00 -0.43 0.00 0.00 46.19 45.62 3i96 s LEU 70 CO -0.10 -0.25 -0.10 -0.62 -0.29 0.00 0.00 176.35 174.98 3i96 s ASP 71 N 2.14 4.20 0.28 3.68 3.68 -0.05 -4.98 116.67 125.62 3i96 s ASP 71 Ca 0.05 -1.29 0.24 0.00 2.13 0.00 0.00 52.55 53.68 3i96 s ASP 71 Cb -0.12 -1.45 1.00 0.00 -1.45 0.00 0.00 42.92 40.89 3i96 s ASP 71 CO -0.04 -0.19 1.73 0.08 0.13 0.00 0.00 175.17 176.89 3i96 h ARG 72 N 7.83 0.00 0.06 4.34 0.11 -1.85 0.43 114.38 125.30 3i96 h ARG 72 Ca -0.20 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.87 3i96 h ARG 72 Cb 1.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.14 3i96 h ARG 72 CO 0.46 0.00 -0.03 0.74 0.10 0.00 0.00 179.97 181.24 3i96 h PHE 73 N 0.00 -0.08 0.00 4.08 -1.00 -1.94 -3.26 116.94 114.74 3i96 h PHE 73 Ca 0.00 -0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.69 3i96 h PHE 73 Cb 0.40 0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.98 3i96 h PHE 73 CO 0.00 -0.05 -0.40 0.66 -1.61 0.00 0.00 178.31 176.91 3i96 h SER 74 N -0.95 0.00 0.00 2.17 4.64 -1.90 -3.41 113.55 114.09 3i96 h SER 74 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3i96 h SER 74 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3i96 h SER 74 CO 0.01 0.40 0.00 0.61 -0.87 0.00 0.00 176.83 176.98 3i96 n GLY 75 N 0.77 0.70 3.75 -0.77 0.00 0.12 -4.58 105.19 105.19 3i96 n GLY 75 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3i96 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i96 s ALA 76 N -2.16 3.38 -0.10 4.61 0.00 -1.12 -2.48 121.76 123.89 3i96 s ALA 76 Ca 0.00 0.81 0.01 0.00 0.00 0.00 0.00 51.96 52.78 3i96 s ALA 76 Cb 0.00 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.82 3i96 s ALA 76 CO 0.00 -0.12 -0.11 -1.17 0.00 0.00 0.00 175.76 174.36 3i96 s LEU 77 N -0.88 1.50 -0.13 0.00 2.96 -0.55 -0.87 118.68 120.71 3i96 s LEU 77 Ca 0.46 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 54.04 3i96 s LEU 77 Cb -0.30 -0.91 0.02 0.00 0.50 0.00 0.00 46.19 45.51 3i96 s LEU 77 CO 0.37 -0.03 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.54 3i96 s VAL 78 N 1.17 1.48 0.33 1.68 1.01 -0.24 -0.89 120.40 124.92 3i96 s VAL 78 Ca -0.04 -0.59 0.10 0.00 0.00 0.00 0.00 61.98 61.44 3i96 s VAL 78 Cb -0.14 -1.38 -0.06 0.00 0.00 0.00 0.00 36.38 34.80 3i96 s VAL 78 CO -0.03 0.44 -0.11 0.27 0.00 0.00 0.00 175.10 175.68 3i96 s ILE 79 N 1.32 2.37 0.08 2.22 -4.36 0.13 0.28 121.20 123.24 3i96 s ILE 79 Ca 0.01 -2.22 -0.12 0.00 -0.26 0.00 0.00 60.65 58.06 3i96 s ILE 79 Cb -0.14 -2.58 0.01 0.00 1.25 0.00 0.00 42.46 41.00 3i96 s ILE 79 CO -0.07 -0.25 0.27 -0.72 0.24 0.00 0.00 174.94 174.40 3i96 s TYR 80 N -2.57 0.00 -5.00 1.37 -0.85 -0.21 -0.77 117.35 109.32 3i96 s TYR 80 Ca 0.32 -0.33 0.00 0.00 -0.52 0.00 0.00 57.07 56.54 3i96 s TYR 80 Cb 0.00 0.06 0.00 0.00 0.38 0.00 0.00 41.96 42.40 3i96 s TYR 80 CO 0.17 -0.57 0.00 0.41 -1.52 0.00 0.00 175.55 174.04 3i96 n GLY 81 N 0.08 -0.37 3.74 5.49 0.00 -0.95 -1.50 105.19 111.69 3i96 n GLY 81 Ca -0.16 -1.13 -0.32 0.00 0.00 0.00 0.00 46.02 44.41 3i96 n GLY 81 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i96 s SER 82 N -4.00 4.29 0.18 1.61 1.04 -1.26 -0.62 113.70 114.93 3i96 s SER 82 Ca 0.00 2.03 -0.13 0.00 0.48 0.00 0.00 55.95 58.33 3i96 s SER 82 Cb 0.00 -2.55 0.11 0.00 0.10 0.00 0.00 66.02 63.68 3i96 s SER 82 CO 0.00 -2.19 1.80 0.58 0.98 0.00 0.00 173.24 174.42 3i96 h VAL 83 N -0.84 1.02 -0.72 5.02 2.07 -1.91 -0.62 116.25 120.27 3i96 h VAL 83 Ca -0.45 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 3i96 h VAL 83 Cb 1.25 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 3i96 h VAL 83 CO 0.50 0.10 0.26 1.23 0.02 0.00 0.00 177.57 179.68 3i96 h GLY 84 N 0.57 1.18 0.98 2.17 0.00 -1.98 -1.37 103.07 104.62 3i96 h GLY 84 Ca 0.21 -0.67 -0.09 0.00 0.00 0.00 0.00 47.33 46.79 3i96 h GLY 84 CO -0.12 0.63 -0.09 0.00 0.00 0.00 0.00 176.54 176.96 3i96 h ALA 85 N 1.13 0.56 -0.50 3.60 0.00 -1.79 -1.69 119.26 120.56 3i96 h ALA 85 Ca 0.24 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3i96 h ALA 85 Cb 0.25 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3i96 h ALA 85 CO -0.01 0.42 0.04 0.28 0.00 0.00 0.00 179.25 179.97 3i96 h VAL 86 N 0.60 1.26 -0.30 0.00 2.07 -1.00 0.35 116.25 119.23 3i96 h VAL 86 Ca 0.10 -1.02 0.04 0.00 0.82 0.00 0.00 66.70 66.64 3i96 h VAL 86 Cb 0.61 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 3i96 h VAL 86 CO 0.04 0.36 0.08 -0.08 0.02 0.00 0.00 177.57 177.99 3i96 h GLU 87 N 0.73 0.19 -0.48 1.57 4.81 -1.17 -0.22 114.58 120.03 3i96 h GLU 87 Ca 0.15 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 3i96 h GLU 87 Cb 0.47 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 3i96 h GLU 87 CO 0.02 0.13 0.18 1.49 -0.73 0.00 0.00 179.01 180.10 3i96 h GLU 88 N 0.20 0.72 -0.58 1.92 4.57 -1.09 -1.68 114.58 118.63 3i96 h GLU 88 Ca 0.14 -0.13 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 3i96 h GLU 88 Cb 0.13 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 3i96 h GLU 88 CO -0.16 0.65 0.25 0.00 -1.18 0.00 0.00 179.01 178.57 3i96 h ALA 89 N 1.03 0.75 -0.32 2.92 0.00 -0.64 -0.74 119.26 122.28 3i96 h ALA 89 Ca 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3i96 h ALA 89 Cb 0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3i96 h ALA 89 CO -0.01 0.35 0.15 -0.07 0.00 0.00 0.00 179.25 179.67 3i96 h LEU 90 N 0.80 0.42 -0.17 0.00 3.38 -0.93 -0.95 115.31 117.86 3i96 h LEU 90 Ca 0.20 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3i96 h LEU 90 Cb 0.18 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3i96 h LEU 90 CO -0.02 0.44 0.09 -1.28 0.09 0.00 0.00 178.44 177.76 3i96 h SER 91 N 0.37 0.21 0.08 -0.43 0.87 -1.07 -1.72 113.55 111.87 3i96 h SER 91 Ca 0.11 -0.08 -0.11 0.00 -1.23 0.00 0.00 61.79 60.48 3i96 h SER 91 Cb 0.13 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 3i96 h SER 91 CO -0.01 0.22 -0.37 1.56 -0.53 0.00 0.00 176.83 177.70 3i96 h GLN 92 N 0.17 0.40 -0.20 2.24 1.08 -1.10 -1.70 115.11 116.00 3i96 h GLN 92 Ca 0.06 -0.18 -0.03 0.00 -1.45 0.00 0.00 58.65 57.05 3i96 h GLN 92 Cb 0.06 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 3i96 h GLN 92 CO -0.01 0.72 0.02 1.15 -0.95 0.00 0.00 178.83 179.75 3i96 h THR 93 N 0.33 1.24 -0.25 -0.54 2.02 -0.95 0.04 112.91 114.81 3i96 h THR 93 Ca 0.03 -0.81 -0.01 0.00 0.77 0.00 0.00 66.41 66.39 3i96 h THR 93 Cb 0.81 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 3i96 h THR 93 CO 0.07 0.25 0.10 0.58 0.37 0.00 0.00 175.52 176.89 3i96 h VAL 94 N 0.12 1.17 -0.78 3.16 2.07 -1.25 -1.45 116.25 119.29 3i96 h VAL 94 Ca 0.06 -0.51 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 3i96 h VAL 94 Cb 0.36 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 3i96 h VAL 94 CO 0.01 0.17 0.32 0.77 0.02 0.00 0.00 177.57 178.85 3i96 h SER 95 N 0.26 1.08 -0.67 0.57 4.64 -1.28 -2.15 113.55 115.99 3i96 h SER 95 Ca 0.08 -0.17 -0.06 0.00 -0.47 0.00 0.00 61.79 61.18 3i96 h SER 95 Cb 0.17 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 61.95 3i96 h SER 95 CO -0.01 0.96 0.20 1.23 -0.87 0.00 0.00 176.83 178.34 3i96 h GLY 96 N 1.14 1.13 1.35 -0.77 0.00 -0.84 -0.12 103.07 104.96 3i96 h GLY 96 Ca 0.26 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 3i96 h GLY 96 CO -0.02 0.63 0.35 1.41 0.00 0.00 0.00 176.54 178.91 3i96 h LEU 97 N 0.99 0.76 -0.19 3.11 3.38 -1.05 0.15 115.31 122.45 3i96 h LEU 97 Ca 0.22 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 3i96 h LEU 97 Cb 0.31 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3i96 h LEU 97 CO -0.01 0.60 0.01 1.23 0.09 0.00 0.00 178.44 180.36 3i96 h GLY 98 N 0.92 0.36 0.66 0.83 0.00 -0.84 -1.84 103.07 103.16 3i96 h GLY 98 Ca 0.22 -0.26 -0.08 0.00 0.00 0.00 0.00 47.33 47.22 3i96 h GLY 98 CO -0.04 0.24 -0.25 -0.09 0.00 0.00 0.00 176.54 176.40 3i96 h ARG 99 N 0.10 0.31 0.10 4.80 2.43 -0.77 -1.66 114.38 119.69 3i96 h ARG 99 Ca 0.05 -0.23 -0.26 0.00 -0.81 0.00 0.00 59.98 58.74 3i96 h ARG 99 Cb 0.37 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3i96 h ARG 99 CO 0.01 0.85 -1.19 -0.07 -1.51 0.00 0.00 179.97 178.06 3i96 h LEU 100 N -0.18 0.39 -1.36 3.80 3.38 -0.82 -3.40 115.31 117.11 3i96 h LEU 100 Ca -0.01 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3i96 h LEU 100 Cb 0.88 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3i96 h LEU 100 CO 0.05 1.30 0.00 0.18 0.09 0.00 0.00 178.44 180.07 3i96 n LEU 101 N -3.53 0.78 -3.78 1.67 4.77 -0.73 -5.03 117.00 111.15 3i96 n LEU 101 Ca -0.07 -0.78 -0.28 0.00 -0.03 0.00 0.00 56.01 54.84 3i96 n LEU 101 Cb 1.00 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 42.12 3i96 n LEU 101 CO 0.53 0.20 0.12 -3.20 -1.33 0.00 0.00 177.39 173.71 3i96 n ASN 102 N -0.14 -5.17 -4.76 -1.43 5.15 -0.62 -4.95 115.26 103.33 3i96 n ASN 102 Ca 0.00 -0.68 -0.38 0.00 -0.60 0.00 0.00 54.58 52.92 3i96 n ASN 102 Cb 0.27 -4.12 0.02 0.00 -0.53 0.00 0.00 39.78 35.42 3i96 n ASN 102 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3i96 s TYR 103 N -3.27 2.58 -0.00 1.20 2.02 -1.06 -4.97 117.35 113.84 3i96 s TYR 103 Ca 0.62 1.45 -0.30 0.00 -0.37 0.00 0.00 57.07 58.47 3i96 s TYR 103 Cb -0.30 -3.59 -0.05 0.00 -0.40 0.00 0.00 41.96 37.61 3i96 s TYR 103 CO 0.77 -2.22 1.35 0.99 -1.57 0.00 0.00 175.55 174.88 3i96 s THR 104 N -1.42 3.81 0.39 -0.71 2.01 -0.67 -4.59 115.64 114.47 3i96 s THR 104 Ca 0.68 1.20 0.08 0.00 0.31 0.00 0.00 61.69 63.95 3i96 s THR 104 Cb -0.35 -3.77 -0.01 0.00 0.01 0.00 0.00 72.50 68.39 3i96 s THR 104 CO 0.41 0.00 0.44 -0.76 -0.69 0.00 0.00 174.62 174.03 3i96 s LEU 105 N 2.27 3.60 0.39 4.42 1.43 -1.26 -0.87 118.68 128.66 3i96 s LEU 105 Ca 0.62 -0.51 0.05 0.00 -1.03 0.00 0.00 54.13 53.25 3i96 s LEU 105 Cb -0.30 -2.38 -0.06 0.00 0.03 0.00 0.00 46.19 43.48 3i96 s LEU 105 CO 0.26 -0.60 0.04 0.00 0.23 0.00 0.00 176.35 176.28 3i96 s GLU 107 N -3.81 4.21 0.01 0.00 0.41 -1.26 -4.98 118.70 113.28 3i96 s GLU 107 Ca 0.30 1.23 -0.30 0.00 -0.41 0.00 0.00 54.97 55.79 3i96 s GLU 107 Cb 0.07 -2.30 -0.04 0.00 -1.78 0.00 0.00 34.13 30.08 3i96 s GLU 107 CO 0.14 -0.05 1.15 1.41 -0.49 0.00 0.00 175.26 177.42 3i96 s MET 108 N -2.94 4.43 0.28 1.61 1.75 -1.26 -4.39 119.30 118.79 3i96 s MET 108 Ca 0.61 1.66 0.12 0.00 -1.25 0.00 0.00 55.69 56.82 3i96 s MET 108 Cb -0.13 -3.44 -0.05 0.00 2.84 0.00 0.00 34.83 34.05 3i96 s MET 108 CO 0.17 -0.28 -0.19 0.95 -0.65 0.00 0.00 175.02 175.02 3i96 s THR 109 N 1.44 2.50 -0.04 10.11 -4.23 -0.79 -5.04 115.64 119.60 3i96 s THR 109 Ca 0.56 -2.39 -0.05 0.00 -1.18 0.00 0.00 61.69 58.63 3i96 s THR 109 Cb -0.26 -2.33 0.01 0.00 1.34 0.00 0.00 72.50 71.26 3i96 s THR 109 CO 0.26 -0.39 0.13 -0.75 -0.54 0.00 0.00 174.62 173.33 3i96 s LYS 110 N -3.52 0.23 -0.32 3.99 2.20 -1.26 -0.87 119.74 120.20 3i96 s LYS 110 Ca 0.30 0.03 -0.07 0.00 -0.36 0.00 0.00 55.97 55.87 3i96 s LYS 110 Cb -0.05 0.10 0.02 0.00 -1.51 0.00 0.00 37.83 36.39 3i96 s LYS 110 CO 0.15 -0.04 0.11 -1.12 -0.36 0.00 0.00 175.35 174.09 3i96 s SER 111 N -0.29 5.27 0.90 1.43 0.01 0.34 -4.95 113.70 116.40 3i96 s SER 111 Ca -0.04 -0.84 -0.11 0.00 1.31 0.00 0.00 55.95 56.27 3i96 s SER 111 Cb -0.03 -1.90 0.13 0.00 0.21 0.00 0.00 66.02 64.43 3i96 s SER 111 CO 0.00 -0.25 1.09 -0.76 0.41 0.00 0.00 173.24 173.74 3i96 s LEU 112 N 1.49 2.29 0.74 2.44 1.43 -1.26 -1.19 118.68 124.61 3i96 s LEU 112 Ca 0.02 1.55 -0.13 0.00 -1.03 0.00 0.00 54.13 54.54 3i96 s LEU 112 Cb -0.18 -3.97 0.04 0.00 0.03 0.00 0.00 46.19 42.11 3i96 s LEU 112 CO 0.03 -2.68 1.12 -1.83 0.23 0.00 0.00 176.35 173.22 3i96 s GLU 113 N -4.89 2.34 0.00 1.70 -1.05 -1.26 -4.67 118.70 110.86 3i96 s GLU 113 Ca 0.64 1.35 0.00 0.00 -0.15 0.00 0.00 54.97 56.81 3i96 s GLU 113 Cb -0.18 -1.89 0.00 0.00 -0.44 0.00 0.00 34.13 31.61 3i96 s GLU 113 CO 0.57 -1.61 0.00 0.72 0.95 0.00 0.00 175.26 175.90