#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i96 s ILE 6 N 0.00 2.82 -0.25 0.55 -4.36 -1.26 -5.11 121.20 113.59 3i96 s ILE 6 Ca 0.00 -1.82 -0.11 0.00 -0.26 0.00 0.00 60.65 58.46 3i96 s ILE 6 Cb 0.00 -2.38 -0.05 0.00 1.25 0.00 0.00 42.46 41.28 3i96 s ILE 6 CO 0.00 -0.11 0.16 -0.63 0.24 0.00 0.00 174.94 174.60 3i96 s ILE 7 N -1.69 5.34 -0.16 8.37 1.01 -1.26 -5.08 121.20 127.75 3i96 s ILE 7 Ca 0.23 0.18 -0.19 0.00 0.00 0.00 0.00 60.65 60.86 3i96 s ILE 7 Cb -0.08 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 38.85 3i96 s ILE 7 CO 0.13 0.33 0.54 -1.10 0.00 0.00 0.00 174.94 174.84 3i96 s GLN 8 N 1.19 4.27 -0.46 2.79 -0.21 -1.26 -5.03 119.66 120.95 3i96 s GLN 8 Ca 0.07 0.51 -0.18 0.00 0.02 0.00 0.00 55.36 55.79 3i96 s GLN 8 Cb -0.14 -3.51 0.04 0.00 1.00 0.00 0.00 33.01 30.40 3i96 s GLN 8 CO 0.06 -0.04 0.50 -1.21 -2.12 0.00 0.00 175.29 172.47 3i96 s GLU 9 N 1.26 3.08 0.09 2.91 2.02 -1.26 -5.05 118.70 121.75 3i96 s GLU 9 Ca 0.27 -0.92 -0.28 0.00 0.02 0.00 0.00 54.97 54.06 3i96 s GLU 9 Cb -0.16 -4.04 -0.06 0.00 0.10 0.00 0.00 34.13 29.97 3i96 s GLU 9 CO 0.11 -1.02 0.88 -0.59 0.02 0.00 0.00 175.26 174.67 3i96 s PHE 10 N 2.21 3.79 0.04 1.61 -0.12 -1.26 -5.05 117.98 119.20 3i96 s PHE 10 Ca 0.12 1.68 -0.00 0.00 -0.05 0.00 0.00 56.93 58.67 3i96 s PHE 10 Cb -0.19 -2.96 -0.03 0.00 -0.63 0.00 0.00 43.02 39.21 3i96 s PHE 10 CO 0.12 0.24 -0.04 0.14 -0.05 0.00 0.00 175.22 175.63 3i96 s VAL 11 N -0.06 0.24 0.31 -2.49 -7.23 -1.26 -5.15 120.40 104.76 3i96 s VAL 11 Ca 0.43 -1.37 -0.28 0.00 -1.81 0.00 0.00 61.98 58.96 3i96 s VAL 11 Cb -0.22 -0.91 -0.09 0.00 0.56 0.00 0.00 36.38 35.71 3i96 s VAL 11 CO 0.27 -0.72 1.06 -2.16 -0.31 0.00 0.00 175.10 173.24 3i96 s PRO 12 N -2.64 4.55 0.66 4.82 0.04 -1.26 -5.06 135.00 136.11 3i96 s PRO 12 Ca -0.04 1.67 -0.09 0.00 0.04 0.00 0.00 61.00 62.58 3i96 s PRO 12 Cb -0.02 -3.02 0.02 0.00 0.04 0.00 0.00 34.50 31.52 3i96 s PRO 12 CO -0.05 0.17 1.01 0.20 0.04 0.00 0.00 177.00 178.37 3i96 s GLY 13 N -1.13 1.62 -0.21 0.56 0.00 -1.26 -5.04 107.32 101.86 3i96 s GLY 13 Ca 0.48 -0.58 -0.03 0.00 0.00 0.00 0.00 44.72 44.59 3i96 s GLY 13 CO 0.36 -0.24 -0.07 0.54 0.00 0.00 0.00 173.10 173.68 3i96 s LYS 14 N -5.20 3.29 -0.11 2.90 1.02 -1.26 -3.93 119.74 116.45 3i96 s LYS 14 Ca 0.57 -0.67 -0.09 0.00 0.02 0.00 0.00 55.97 55.79 3i96 s LYS 14 Cb -0.11 -2.92 0.03 0.00 -0.52 0.00 0.00 37.83 34.31 3i96 s LYS 14 CO 0.48 -0.20 0.28 -1.14 -0.92 0.00 0.00 175.35 173.85 3i96 s GLN 15 N 1.44 0.32 -0.26 1.68 0.74 -0.57 -0.99 119.66 122.03 3i96 s GLN 15 Ca 0.06 0.43 -0.12 0.00 0.05 0.00 0.00 55.36 55.78 3i96 s GLN 15 Cb -0.14 0.12 -0.05 0.00 1.10 0.00 0.00 33.01 34.04 3i96 s GLN 15 CO -0.05 -0.06 0.22 0.08 -0.55 0.00 0.00 175.29 174.93 3i96 s VAL 16 N 0.33 5.30 -0.14 1.34 1.01 0.18 -1.14 120.40 127.28 3i96 s VAL 16 Ca -0.01 0.27 0.13 0.00 0.00 0.00 0.00 61.98 62.36 3i96 s VAL 16 Cb -0.03 -3.55 -0.19 0.00 0.00 0.00 0.00 36.38 32.60 3i96 s VAL 16 CO -0.01 0.28 0.34 0.35 0.00 0.00 0.00 175.10 176.06 3i96 n THR 17 N 4.71 0.00 -3.76 3.92 -2.24 -0.02 -2.63 114.28 114.26 3i96 n THR 17 Ca -0.13 -0.28 -0.13 0.00 -2.27 0.00 0.00 64.05 61.24 3i96 n THR 17 Cb 0.52 0.38 -0.11 0.00 -2.10 0.00 0.00 70.33 69.01 3i96 n THR 17 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3i96 s LEU 18 N -3.62 0.72 -0.35 3.22 2.96 -1.12 -4.92 118.68 115.56 3i96 s LEU 18 Ca -0.03 0.65 0.02 0.00 -0.22 0.00 0.00 54.13 54.55 3i96 s LEU 18 Cb 0.09 1.08 0.15 0.00 0.50 0.00 0.00 46.19 48.01 3i96 s LEU 18 CO 0.54 -0.12 0.36 0.00 -1.32 0.00 0.00 176.35 175.81 3i96 s ALA 19 N 0.30 -0.42 -0.08 5.97 0.00 -1.25 -1.95 121.76 124.34 3i96 s ALA 19 Ca -0.01 -0.86 0.04 0.00 0.00 0.00 0.00 51.96 51.13 3i96 s ALA 19 Cb -0.03 -2.00 0.00 0.00 0.00 0.00 0.00 23.12 21.09 3i96 s ALA 19 CO -0.01 -2.05 -0.20 -1.58 0.00 0.00 0.00 175.76 171.92 3i96 s HIS 20 N 1.61 2.17 -0.26 0.00 5.04 0.29 -1.54 115.29 122.60 3i96 s HIS 20 Ca 0.15 -0.82 -0.08 0.00 -1.54 0.00 0.00 55.06 52.77 3i96 s HIS 20 Cb -0.15 -1.47 -0.04 0.00 0.04 0.00 0.00 32.58 30.96 3i96 s HIS 20 CO -0.09 -0.33 0.11 -1.17 -2.34 0.00 0.00 174.74 170.91 3i96 s LEU 21 N 0.34 3.63 -0.44 8.88 2.96 -0.01 -0.61 118.68 133.43 3i96 s LEU 21 Ca -0.15 -0.14 -0.12 0.00 -0.22 0.00 0.00 54.13 53.51 3i96 s LEU 21 Cb -0.16 -1.99 0.08 0.00 0.50 0.00 0.00 46.19 44.62 3i96 s LEU 21 CO 0.06 -0.03 0.31 -0.63 -1.32 0.00 0.00 176.35 174.74 3i96 s ILE 22 N 1.63 4.63 -0.02 6.68 1.01 0.90 -0.37 121.20 135.67 3i96 s ILE 22 Ca 0.06 -1.26 -0.29 0.00 0.00 0.00 0.00 60.65 59.17 3i96 s ILE 22 Cb -0.15 -3.80 -0.03 0.00 0.01 0.00 0.00 42.46 38.49 3i96 s ILE 22 CO 0.06 -0.53 0.95 0.00 0.00 0.00 0.00 174.94 175.41 3i96 s ALA 23 N 1.51 3.21 -0.95 9.38 0.00 -0.48 -1.29 121.76 133.14 3i96 s ALA 23 Ca 0.03 0.47 -0.11 0.00 0.00 0.00 0.00 51.96 52.35 3i96 s ALA 23 Cb -0.23 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.59 3i96 s ALA 23 CO 0.04 -0.26 0.68 0.72 0.00 0.00 0.00 175.76 176.94 3i96 n HIS 24 N 4.01 -2.08 -0.29 0.00 8.25 0.13 -4.37 115.22 120.86 3i96 n HIS 24 Ca 0.05 0.68 0.04 0.00 -0.26 0.00 0.00 57.72 58.23 3i96 n HIS 24 Cb 0.51 -3.18 0.18 0.00 1.12 0.00 0.00 29.99 28.62 3i96 n HIS 24 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3i96 h PRO 25 N -0.91 0.72 0.00 -0.41 0.11 -1.77 -3.45 132.00 126.30 3i96 h PRO 25 Ca -0.54 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.53 3i96 h PRO 25 Cb 1.32 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3i96 h PRO 25 CO 0.41 0.48 0.00 0.41 -0.21 0.00 0.00 178.00 179.09 3i96 n GLY 26 N -1.32 -0.07 0.16 -0.55 0.00 -1.26 -4.37 105.19 97.77 3i96 n GLY 26 Ca 0.14 -1.75 -0.07 0.00 0.00 0.00 0.00 46.02 44.34 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 0.31 -0.20 1.61 4.81 -1.95 -0.97 114.58 118.19 3i96 h GLU 27 Ca 0.00 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 3i96 h GLU 27 Cb 0.00 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3i96 h GLU 27 CO 0.00 0.20 -0.02 0.93 -0.73 0.00 0.00 179.01 179.39 3i96 h GLU 28 N 0.32 0.36 -0.43 1.92 4.39 -2.00 -1.70 114.58 117.44 3i96 h GLU 28 Ca 0.16 -0.13 -0.13 0.00 0.34 0.00 0.00 59.36 59.60 3i96 h GLU 28 Cb 0.10 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 3i96 h GLU 28 CO -0.14 0.59 -0.25 1.25 -1.16 0.00 0.00 179.01 179.29 3i96 h LEU 29 N 0.10 0.96 -0.55 1.33 5.85 -1.73 -1.65 115.31 119.63 3i96 h LEU 29 Ca 0.05 -0.42 0.05 0.00 0.84 0.00 0.00 57.88 58.40 3i96 h LEU 29 Cb 0.43 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 3i96 h LEU 29 CO 0.01 1.17 0.29 0.00 -0.34 0.00 0.00 178.44 179.58 3i96 h ALA 30 N 0.82 0.71 -0.84 1.25 0.00 -1.15 -1.03 119.26 119.02 3i96 h ALA 30 Ca 0.09 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3i96 h ALA 30 Cb 0.83 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 3i96 h ALA 30 CO 0.07 -0.05 0.48 -0.22 0.00 0.00 0.00 179.25 179.53 3i96 h LYS 31 N 0.56 1.17 -0.56 0.00 3.64 -1.07 -0.12 116.57 120.18 3i96 h LYS 31 Ca 0.24 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 3i96 h LYS 31 Cb 0.13 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 3i96 h LYS 31 CO -0.16 0.85 0.30 -0.22 -2.27 0.00 0.00 179.45 177.95 3i96 h LYS 32 N 1.17 0.78 0.00 1.90 3.11 -0.70 -2.53 116.57 120.30 3i96 h LYS 32 Ca 0.30 -0.10 -0.13 0.00 -2.81 0.00 0.00 60.65 57.91 3i96 h LYS 32 Cb 0.01 -0.15 -0.02 0.00 -1.00 0.00 0.00 32.23 31.07 3i96 h LYS 32 CO -0.05 0.61 -0.62 0.82 -2.81 0.00 0.00 179.45 177.40 3i96 h ILE 33 N 0.75 1.43 -0.11 2.00 2.04 -1.01 -3.48 117.51 119.13 3i96 h ILE 33 Ca 0.19 -2.14 0.00 0.00 1.00 0.00 0.00 64.86 63.91 3i96 h ILE 33 Cb 0.06 2.16 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 3i96 h ILE 33 CO -0.03 0.61 0.00 0.61 0.00 0.00 0.00 178.15 179.34 3i96 n GLY 34 N 0.28 1.29 3.29 5.37 0.00 -0.12 -5.03 105.19 110.26 3i96 n GLY 34 Ca -0.01 -0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 3i96 n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i96 s VAL 35 N -2.11 0.62 0.97 1.61 -7.23 -0.79 -4.96 120.40 108.50 3i96 s VAL 35 Ca 0.00 -1.99 -0.11 0.00 -1.81 0.00 0.00 61.98 58.07 3i96 s VAL 35 Cb 0.00 -2.42 0.18 0.00 0.56 0.00 0.00 36.38 34.70 3i96 s VAL 35 CO 0.00 -0.20 1.10 -2.84 -0.31 0.00 0.00 175.10 172.85 3i96 s PRO 36 N -3.98 0.59 -1.34 4.82 0.02 -1.26 -4.22 135.00 129.63 3i96 s PRO 36 Ca 0.32 1.25 -0.17 0.00 0.02 0.00 0.00 61.00 62.42 3i96 s PRO 36 Cb 0.07 -1.70 0.03 0.00 0.02 0.00 0.00 34.50 32.92 3i96 s PRO 36 CO 0.10 -2.83 2.01 -3.47 -0.33 0.00 0.00 177.00 172.48 3i96 n ASP 37 N -4.34 4.13 -4.92 2.53 4.64 -1.26 -4.87 116.55 112.46 3i96 n ASP 37 Ca 0.09 -2.85 -0.22 0.00 -1.38 0.00 0.00 54.79 50.42 3i96 n ASP 37 Cb 0.53 -1.66 0.05 0.00 -1.04 0.00 0.00 41.12 39.01 3i96 n ASP 37 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3i96 s ALA 38 N 4.11 3.75 0.37 -1.67 0.00 -1.26 -5.01 121.76 122.05 3i96 s ALA 38 Ca 0.51 -1.33 0.08 0.00 0.00 0.00 0.00 51.96 51.23 3i96 s ALA 38 Cb 0.10 -2.15 0.74 0.00 0.00 0.00 0.00 23.12 21.80 3i96 s ALA 38 CO 0.00 -0.95 1.90 0.78 0.00 0.00 0.00 175.76 177.49 3i96 h GLY 39 N -0.13 0.32 -3.70 0.00 0.00 -1.83 -3.40 103.07 94.32 3i96 h GLY 39 Ca -0.41 -0.19 -0.05 0.00 0.00 0.00 0.00 47.33 46.67 3i96 h GLY 39 CO 0.51 0.18 0.16 0.00 0.00 0.00 0.00 176.54 177.40 3i96 s ALA 40 N -4.76 -1.63 -0.03 3.60 0.00 0.22 0.18 121.76 119.35 3i96 s ALA 40 Ca -0.06 0.97 0.07 0.00 0.00 0.00 0.00 51.96 52.94 3i96 s ALA 40 Cb 0.15 0.29 -0.02 0.00 0.00 0.00 0.00 23.12 23.55 3i96 s ALA 40 CO 0.74 -0.49 -0.25 0.42 0.00 0.00 0.00 175.76 176.18 3i96 s ILE 41 N -2.05 1.95 -0.08 0.00 1.01 -0.41 -2.17 121.20 119.46 3i96 s ILE 41 Ca -0.07 -1.05 0.04 0.00 0.00 0.00 0.00 60.65 59.57 3i96 s ILE 41 Cb -0.00 -1.63 -0.01 0.00 0.01 0.00 0.00 42.46 40.83 3i96 s ILE 41 CO 0.02 0.55 -0.20 -0.83 0.00 0.00 0.00 174.94 174.48 3i96 s GLY 42 N -0.50 1.39 -0.12 6.18 0.00 0.43 -0.07 107.32 114.64 3i96 s GLY 42 Ca 0.07 -0.98 0.02 0.00 0.00 0.00 0.00 44.72 43.83 3i96 s GLY 42 CO -0.00 -0.47 -0.16 -0.42 0.00 0.00 0.00 173.10 172.04 3i96 s ILE 43 N 0.01 1.59 0.02 0.90 1.01 0.22 -0.54 121.20 124.41 3i96 s ILE 43 Ca -0.07 -0.70 0.06 0.00 0.00 0.00 0.00 60.65 59.94 3i96 s ILE 43 Cb -0.15 -1.45 -0.02 0.00 0.01 0.00 0.00 42.46 40.85 3i96 s ILE 43 CO 0.05 0.46 -0.18 -0.32 0.00 0.00 0.00 174.94 174.95 3i96 s MET 44 N 0.98 1.27 0.01 2.79 1.75 -0.02 -0.55 119.30 125.53 3i96 s MET 44 Ca -0.06 -0.76 0.06 0.00 -1.25 0.00 0.00 55.69 53.68 3i96 s MET 44 Cb -0.15 -1.30 -0.02 0.00 2.84 0.00 0.00 34.83 36.21 3i96 s MET 44 CO -0.02 0.34 -0.18 0.95 -0.65 0.00 0.00 175.02 175.46 3i96 s THR 45 N -0.65 1.44 0.15 10.11 -4.23 -0.82 -0.67 115.64 120.97 3i96 s THR 45 Ca 0.06 -0.92 -0.15 0.00 -1.18 0.00 0.00 61.69 59.49 3i96 s THR 45 Cb -0.08 -1.23 0.03 0.00 1.34 0.00 0.00 72.50 72.56 3i96 s THR 45 CO 0.01 0.29 0.42 -1.48 -0.54 0.00 0.00 174.62 173.32 3i96 s LEU 46 N -0.73 0.39 0.04 4.79 2.34 -0.33 -0.84 118.68 124.32 3i96 s LEU 46 Ca 0.06 -0.45 0.02 0.00 0.06 0.00 0.00 54.13 53.83 3i96 s LEU 46 Cb -0.08 1.84 -0.02 0.00 -0.56 0.00 0.00 46.19 47.38 3i96 s LEU 46 CO 0.00 -0.92 -0.07 0.42 -1.06 0.00 0.00 176.35 174.72 3i96 s THR 47 N -3.85 0.50 0.50 5.48 -4.23 -0.29 -4.08 115.64 109.67 3i96 s THR 47 Ca 0.07 -1.00 -0.24 0.00 -1.18 0.00 0.00 61.69 59.34 3i96 s THR 47 Cb 0.01 -0.56 -0.07 0.00 1.34 0.00 0.00 72.50 73.22 3i96 s THR 47 CO -0.07 -0.35 1.41 -2.65 -0.54 0.00 0.00 174.62 172.41 3i96 n PRO 48 N 1.58 2.00 -0.06 3.99 -0.02 -1.25 -1.50 135.00 139.74 3i96 n PRO 48 Ca -0.22 0.72 0.02 0.00 -2.02 0.00 0.00 63.50 62.00 3i96 n PRO 48 Cb 0.55 -2.62 0.34 0.00 -0.02 0.00 0.00 33.50 31.75 3i96 n PRO 48 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3i96 h GLY 49 N 1.88 0.70 2.00 -1.23 0.00 -1.77 -1.64 103.07 103.02 3i96 h GLY 49 Ca -0.51 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 46.51 3i96 h GLY 49 CO 0.59 0.30 0.00 -1.84 0.00 0.00 0.00 176.54 175.59 3i96 n GLU 50 N -4.40 0.12 -0.03 4.80 0.00 -1.25 -2.06 120.64 117.82 3i96 n GLU 50 Ca 0.04 0.53 0.11 0.00 0.00 0.00 0.00 57.16 57.83 3i96 n GLU 50 Cb 0.11 -1.83 0.50 0.00 0.00 0.00 0.00 31.44 30.22 3i96 n GLU 50 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3i96 n THR 51 N -2.08 0.09 -0.20 3.84 -2.24 -0.61 -3.89 114.28 109.19 3i96 n THR 51 Ca 0.00 -0.17 0.16 0.00 -2.27 0.00 0.00 64.05 61.77 3i96 n THR 51 Cb 0.09 0.04 0.48 0.00 -2.10 0.00 0.00 70.33 68.85 3i96 n THR 51 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i96 h ALA 52 N 3.86 2.08 -0.19 6.98 0.00 -1.63 -0.76 119.26 129.60 3i96 h ALA 52 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i96 h ALA 52 Cb 0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3i96 h ALA 52 CO 0.00 -0.31 0.10 0.00 0.00 0.00 0.00 179.25 179.03 3i96 h MET 53 N 0.47 0.26 -0.04 0.00 -0.00 -1.84 0.57 114.93 114.35 3i96 h MET 53 Ca 0.41 -0.02 -0.00 0.00 -0.00 0.00 0.00 59.70 60.09 3i96 h MET 53 Cb 0.90 -0.06 -0.00 0.00 -0.00 0.00 0.00 31.60 32.44 3i96 h MET 53 CO -0.15 0.20 0.02 0.82 -0.00 0.00 0.00 176.91 177.80 3i96 h ILE 54 N 0.26 1.11 -0.75 -0.10 2.04 -1.42 -1.81 117.51 116.83 3i96 h ILE 54 Ca 0.07 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 3i96 h ILE 54 Cb 0.02 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 3i96 h ILE 54 CO -0.01 0.09 0.46 0.00 0.00 0.00 0.00 178.15 178.69 3i96 h ALA 55 N 0.89 0.96 -0.54 1.87 0.00 -1.32 -1.60 119.26 119.53 3i96 h ALA 55 Ca 0.01 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.91 3i96 h ALA 55 Cb 0.12 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 17.55 3i96 h ALA 55 CO -0.00 0.42 0.22 0.78 0.00 0.00 0.00 179.25 180.67 3i96 h GLY 56 N 1.03 0.75 0.90 0.00 0.00 -0.71 -0.46 103.07 104.58 3i96 h GLY 56 Ca 0.27 -0.13 -0.05 0.00 0.00 0.00 0.00 47.33 47.42 3i96 h GLY 56 CO -0.05 0.03 0.02 -1.80 0.00 0.00 0.00 176.54 174.74 3i96 h ASP 57 N 0.42 0.55 -0.78 0.19 3.58 -1.08 -1.09 116.42 118.22 3i96 h ASP 57 Ca 0.26 -0.29 0.01 0.00 0.42 0.00 0.00 57.03 57.43 3i96 h ASP 57 Cb 0.26 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.12 3i96 h ASP 57 CO -0.24 0.71 0.52 -0.07 -2.88 0.00 0.00 179.24 177.28 3i96 h LEU 58 N 0.38 0.88 -0.15 2.28 3.38 -0.98 -1.05 115.31 120.06 3i96 h LEU 58 Ca 0.10 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3i96 h LEU 58 Cb 0.41 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3i96 h LEU 58 CO 0.01 0.63 -0.06 0.00 0.09 0.00 0.00 178.44 179.11 3i96 h ALA 59 N 1.52 0.21 -0.68 1.53 0.00 -0.79 -2.00 119.26 119.06 3i96 h ALA 59 Ca 0.29 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3i96 h ALA 59 Cb -0.09 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3i96 h ALA 59 CO -0.07 0.00 0.34 -0.07 0.00 0.00 0.00 179.25 179.46 3i96 h LEU 60 N -0.01 0.85 -0.76 0.00 3.38 -0.93 -2.22 115.31 115.62 3i96 h LEU 60 Ca 0.04 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 3i96 h LEU 60 Cb 0.52 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3i96 h LEU 60 CO 0.02 0.71 -0.31 0.11 0.09 0.00 0.00 178.44 179.06 3i96 h LYS 61 N 0.95 0.00 0.07 1.13 1.79 -1.13 -3.31 116.57 116.07 3i96 h LYS 61 Ca 0.24 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.44 3i96 h LYS 61 Cb 0.07 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 3i96 h LYS 61 CO -0.03 0.31 -1.28 0.00 -1.08 0.00 0.00 179.45 177.36 3i96 h ALA 62 N 1.69 0.28 -2.71 3.86 0.00 -0.74 -3.49 119.26 118.16 3i96 h ALA 62 Ca -0.00 -1.00 0.12 0.00 0.00 0.00 0.00 54.91 54.02 3i96 h ALA 62 Cb 0.94 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.73 3i96 h ALA 62 CO 0.04 1.16 0.34 0.00 0.00 0.00 0.00 179.25 180.79 3i96 s ALA 63 N -2.66 -1.42 -1.45 0.00 0.00 -1.09 -4.79 121.76 110.35 3i96 s ALA 63 Ca -0.04 -0.10 -0.14 0.00 0.00 0.00 0.00 51.96 51.69 3i96 s ALA 63 Cb 0.08 0.76 0.04 0.00 0.00 0.00 0.00 23.12 24.00 3i96 s ALA 63 CO 0.85 -1.03 2.23 -3.47 0.00 0.00 0.00 175.76 174.34 3i96 n ASP 64 N -0.46 4.10 -4.60 0.00 2.03 -1.26 -4.62 116.55 111.74 3i96 n ASP 64 Ca -0.05 -2.85 -0.24 0.00 0.52 0.00 0.00 54.79 52.17 3i96 n ASP 64 Cb 0.60 -1.65 -0.09 0.00 -0.72 0.00 0.00 41.12 39.27 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 2.99 2.69 0.19 5.18 -7.23 -1.26 -4.51 120.40 118.45 3i96 s VAL 65 Ca 0.47 -2.04 0.09 0.00 -1.81 0.00 0.00 61.98 58.69 3i96 s VAL 65 Cb 0.14 -2.73 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 3i96 s VAL 65 CO -0.08 -0.25 -0.18 -1.00 -0.31 0.00 0.00 175.10 173.28 3i96 s HIS 66 N -2.50 1.89 -0.25 2.82 3.76 -0.33 -4.85 115.29 115.84 3i96 s HIS 66 Ca 0.33 -0.47 -0.19 0.00 -0.15 0.00 0.00 55.06 54.59 3i96 s HIS 66 Cb -0.01 -0.91 -0.02 0.00 1.11 0.00 0.00 32.58 32.74 3i96 s HIS 66 CO 0.19 0.40 0.58 0.42 -0.85 0.00 0.00 174.74 175.48 3i96 s ILE 67 N -2.28 5.02 -0.07 0.60 1.01 -1.26 -1.08 121.20 123.14 3i96 s ILE 67 Ca 0.19 1.03 -0.05 0.00 0.00 0.00 0.00 60.65 61.83 3i96 s ILE 67 Cb -0.05 -3.89 -0.27 0.00 0.01 0.00 0.00 42.46 38.26 3i96 s ILE 67 CO 0.08 0.06 0.55 1.23 0.00 0.00 0.00 174.94 176.87 3i96 h GLY 68 N 8.78 0.31 -6.22 6.18 0.00 -0.77 -3.47 103.07 107.86 3i96 h GLY 68 Ca -0.28 -0.78 -0.24 0.00 0.00 0.00 0.00 47.33 46.02 3i96 h GLY 68 CO 0.75 0.68 -0.60 -0.12 0.00 0.00 0.00 176.54 177.25 3i96 s PHE 69 N -2.58 -0.15 -0.28 5.60 2.19 -0.91 -4.95 117.98 116.90 3i96 s PHE 69 Ca -0.17 0.46 -0.23 0.00 0.33 0.00 0.00 56.93 57.32 3i96 s PHE 69 Cb 0.06 -0.09 0.10 0.00 -1.31 0.00 0.00 43.02 41.79 3i96 s PHE 69 CO 0.81 -0.16 0.88 -1.17 1.83 0.00 0.00 175.22 177.41 3i96 s LEU 70 N 1.12 -0.61 0.00 6.12 2.96 -1.26 -1.32 118.68 125.68 3i96 s LEU 70 Ca -0.09 1.14 0.03 0.00 -0.22 0.00 0.00 54.13 54.99 3i96 s LEU 70 Cb -0.11 2.13 -0.01 0.00 0.50 0.00 0.00 46.19 48.70 3i96 s LEU 70 CO -0.06 -0.19 0.10 -0.90 -1.32 0.00 0.00 176.35 173.98 3i96 n ASP 71 N 2.72 -0.19 -0.07 3.68 5.68 -1.26 -5.07 116.55 122.05 3i96 n ASP 71 Ca -0.14 -1.81 -0.08 0.00 -0.50 0.00 0.00 54.79 52.26 3i96 n ASP 71 Cb 0.56 0.60 0.09 0.00 -1.14 0.00 0.00 41.12 41.23 3i96 n ASP 71 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 3i96 h ARG 72 N 0.00 0.73 0.00 0.11 3.08 -1.94 -3.41 114.38 112.95 3i96 h ARG 72 Ca -0.09 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.64 3i96 h ARG 72 Cb 0.44 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.47 3i96 h ARG 72 CO 0.13 0.92 -0.20 1.19 -1.07 0.00 0.00 179.97 180.94 3i96 n PHE 73 N -4.09 0.00 0.25 3.04 3.01 -1.26 -4.04 117.46 114.37 3i96 n PHE 73 Ca -0.01 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.60 3i96 n PHE 73 Cb 0.46 0.00 0.54 0.00 -0.01 0.00 0.00 39.48 40.47 3i96 n PHE 73 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3i96 h SER 74 N 0.00 0.00 -0.56 4.37 4.64 -1.79 -3.33 113.55 116.88 3i96 h SER 74 Ca 0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 3i96 h SER 74 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 3i96 h SER 74 CO 0.00 0.07 -0.18 0.61 -0.87 0.00 0.00 176.83 176.46 3i96 n GLY 75 N 0.24 0.92 3.22 -0.77 0.00 -0.87 -4.89 105.19 103.03 3i96 n GLY 75 Ca 0.01 -0.61 -0.27 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.35 1.75 -0.05 4.61 0.00 -1.26 -1.19 121.76 123.26 3i96 s ALA 76 Ca 0.00 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.08 3i96 s ALA 76 Cb 0.00 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.67 3i96 s ALA 76 CO 0.00 0.41 -0.05 -1.17 0.00 0.00 0.00 175.76 174.95 3i96 s LEU 77 N -0.41 1.33 -0.11 0.00 2.96 0.15 -4.48 118.68 118.12 3i96 s LEU 77 Ca 0.06 -0.15 0.03 0.00 -0.22 0.00 0.00 54.13 53.85 3i96 s LEU 77 Cb -0.09 -0.51 0.01 0.00 0.50 0.00 0.00 46.19 46.10 3i96 s LEU 77 CO -0.00 -0.05 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.06 3i96 s VAL 78 N 0.96 1.99 0.32 1.68 1.01 -0.43 -0.84 120.40 125.09 3i96 s VAL 78 Ca -0.10 -0.96 0.09 0.00 0.00 0.00 0.00 61.98 61.00 3i96 s VAL 78 Cb -0.14 -1.74 -0.06 0.00 0.00 0.00 0.00 36.38 34.43 3i96 s VAL 78 CO 0.00 0.54 -0.09 0.27 0.00 0.00 0.00 175.10 175.82 3i96 s ILE 79 N 0.56 2.05 0.08 2.22 -4.36 0.29 -0.04 121.20 122.01 3i96 s ILE 79 Ca -0.14 -2.19 -0.14 0.00 -0.26 0.00 0.00 60.65 57.92 3i96 s ILE 79 Cb -0.17 -2.55 0.02 0.00 1.25 0.00 0.00 42.46 41.01 3i96 s ILE 79 CO 0.04 -0.25 0.32 -0.72 0.24 0.00 0.00 174.94 174.57 3i96 s TYR 80 N -2.74 -0.10 -4.75 1.37 -0.85 -0.24 -0.43 117.35 109.61 3i96 s TYR 80 Ca 0.31 -0.15 0.00 0.00 -0.52 0.00 0.00 57.07 56.72 3i96 s TYR 80 Cb 0.02 0.13 0.00 0.00 0.38 0.00 0.00 41.96 42.49 3i96 s TYR 80 CO 0.15 -0.58 0.00 0.41 -1.52 0.00 0.00 175.55 174.01 3i96 n GLY 81 N 0.18 -0.49 3.75 5.49 0.00 -0.92 -1.18 105.19 112.01 3i96 n GLY 81 Ca -0.17 -1.08 -0.31 0.00 0.00 0.00 0.00 46.02 44.46 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 4.19 0.19 1.61 1.04 -1.26 -0.61 113.70 114.86 3i96 s SER 82 Ca 0.00 1.92 -0.11 0.00 0.48 0.00 0.00 55.95 58.23 3i96 s SER 82 Cb 0.00 -2.53 0.18 0.00 0.10 0.00 0.00 66.02 63.76 3i96 s SER 82 CO 0.00 -2.25 1.80 0.58 0.98 0.00 0.00 173.24 174.36 3i96 h VAL 83 N -1.22 0.99 -0.76 5.02 2.07 -1.91 0.44 116.25 120.87 3i96 h VAL 83 Ca -0.44 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 66.81 3i96 h VAL 83 Cb 1.24 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 3i96 h VAL 83 CO 0.49 0.11 0.26 1.23 0.02 0.00 0.00 177.57 179.69 3i96 h GLY 84 N 0.62 1.26 0.89 2.17 0.00 -1.97 0.00 103.07 106.05 3i96 h GLY 84 Ca 0.26 -0.73 -0.08 0.00 0.00 0.00 0.00 47.33 46.78 3i96 h GLY 84 CO -0.15 0.68 -0.12 0.00 0.00 0.00 0.00 176.54 176.94 3i96 h ALA 85 N 1.15 0.39 -0.35 3.60 0.00 -1.77 -1.22 119.26 121.05 3i96 h ALA 85 Ca 0.25 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3i96 h ALA 85 Cb 0.28 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3i96 h ALA 85 CO -0.01 0.26 -0.01 0.28 0.00 0.00 0.00 179.25 179.77 3i96 h VAL 86 N 0.32 1.26 -0.49 0.00 2.07 -0.75 -0.11 116.25 118.55 3i96 h VAL 86 Ca 0.06 -1.01 0.05 0.00 0.82 0.00 0.00 66.70 66.63 3i96 h VAL 86 Cb 0.63 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 3i96 h VAL 86 CO 0.04 0.33 0.21 -0.08 0.02 0.00 0.00 177.57 178.09 3i96 h GLU 87 N 0.44 0.40 -0.56 1.57 4.81 -0.96 0.12 114.58 120.41 3i96 h GLU 87 Ca 0.10 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 3i96 h GLU 87 Cb 0.48 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 3i96 h GLU 87 CO 0.02 0.27 0.14 1.49 -0.73 0.00 0.00 179.01 180.19 3i96 h GLU 88 N 0.41 0.89 -0.24 1.92 4.57 -1.03 -0.86 114.58 120.25 3i96 h GLU 88 Ca 0.22 -0.21 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 3i96 h GLU 88 Cb 0.19 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 3i96 h GLU 88 CO -0.19 0.83 0.11 0.00 -1.18 0.00 0.00 179.01 178.58 3i96 h ALA 89 N 1.02 0.31 -0.29 2.92 0.00 -0.71 -0.02 119.26 122.49 3i96 h ALA 89 Ca 0.17 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3i96 h ALA 89 Cb 0.34 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3i96 h ALA 89 CO 0.00 -0.12 0.15 -0.07 0.00 0.00 0.00 179.25 179.21 3i96 h LEU 90 N 0.25 0.37 -0.21 0.00 3.38 -0.86 -0.62 115.31 117.61 3i96 h LEU 90 Ca 0.08 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3i96 h LEU 90 Cb 0.14 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3i96 h LEU 90 CO -0.01 0.37 0.13 -1.28 0.09 0.00 0.00 178.44 177.74 3i96 h SER 91 N 0.34 0.25 0.33 -0.43 0.87 -0.99 -0.81 113.55 113.12 3i96 h SER 91 Ca 0.10 -0.04 -0.14 0.00 -1.23 0.00 0.00 61.79 60.48 3i96 h SER 91 Cb 0.09 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 3i96 h SER 91 CO -0.01 0.22 -0.57 1.56 -0.53 0.00 0.00 176.83 177.49 3i96 h GLN 92 N 0.26 0.25 -0.05 2.24 1.08 -0.93 -1.44 115.11 116.52 3i96 h GLN 92 Ca 0.08 -0.16 -0.02 0.00 -1.45 0.00 0.00 58.65 57.10 3i96 h GLN 92 Cb 0.01 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.46 3i96 h GLN 92 CO -0.01 0.75 -0.03 1.15 -0.95 0.00 0.00 178.83 179.74 3i96 h THR 93 N 0.19 1.34 -0.09 -0.54 2.02 -0.91 0.13 112.91 115.05 3i96 h THR 93 Ca -0.00 -1.06 0.00 0.00 0.77 0.00 0.00 66.41 66.12 3i96 h THR 93 Cb 1.06 1.94 -0.00 0.00 -1.74 0.00 0.00 68.15 69.40 3i96 h THR 93 CO 0.09 0.29 0.06 0.58 0.37 0.00 0.00 175.52 176.90 3i96 h VAL 94 N -0.29 1.03 -0.53 3.16 2.07 -1.13 -0.49 116.25 120.08 3i96 h VAL 94 Ca 0.01 -0.07 -0.09 0.00 0.82 0.00 0.00 66.70 67.37 3i96 h VAL 94 Cb 0.48 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3i96 h VAL 94 CO 0.01 0.03 -0.02 0.77 0.02 0.00 0.00 177.57 178.38 3i96 h SER 95 N 0.11 0.89 -0.52 0.57 4.64 -1.26 -2.08 113.55 115.90 3i96 h SER 95 Ca 0.03 -0.24 -0.02 0.00 -0.47 0.00 0.00 61.79 61.10 3i96 h SER 95 Cb -0.00 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.83 3i96 h SER 95 CO -0.01 0.96 0.26 1.23 -0.87 0.00 0.00 176.83 178.40 3i96 h GLY 96 N 0.99 0.79 1.02 -0.77 0.00 -0.52 -0.16 103.07 104.43 3i96 h GLY 96 Ca 0.15 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 3i96 h GLY 96 CO 0.03 0.37 0.47 1.41 0.00 0.00 0.00 176.54 178.82 3i96 h LEU 97 N 0.69 1.05 -0.07 3.11 3.38 -0.88 0.13 115.31 122.72 3i96 h LEU 97 Ca 0.18 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3i96 h LEU 97 Cb 0.10 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 3i96 h LEU 97 CO -0.02 0.83 0.03 1.23 0.09 0.00 0.00 178.44 180.60 3i96 h GLY 98 N 1.17 0.11 0.26 0.83 0.00 -1.16 -1.91 103.07 102.37 3i96 h GLY 98 Ca 0.30 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.54 3i96 h GLY 98 CO -0.05 0.06 -0.10 -0.09 0.00 0.00 0.00 176.54 176.36 3i96 h ARG 99 N -0.06 0.06 -0.05 4.80 2.43 -0.84 -2.17 114.38 118.55 3i96 h ARG 99 Ca 0.02 -0.07 -0.17 0.00 -0.81 0.00 0.00 59.98 58.96 3i96 h ARG 99 Cb 0.18 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.76 3i96 h ARG 99 CO -0.00 0.87 -0.63 -0.07 -1.51 0.00 0.00 179.97 178.64 3i96 h LEU 100 N -0.73 0.63 -2.04 3.80 3.38 -0.89 -3.39 115.31 116.06 3i96 h LEU 100 Ca -0.01 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.25 3i96 h LEU 100 Cb 0.91 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3i96 h LEU 100 CO 0.02 1.25 0.00 0.18 0.09 0.00 0.00 178.44 179.98 3i96 n LEU 101 N -4.17 1.51 -3.63 1.67 4.77 -0.93 -5.02 117.00 111.21 3i96 n LEU 101 Ca -0.09 -1.51 -0.27 0.00 -0.03 0.00 0.00 56.01 54.11 3i96 n LEU 101 Cb 0.67 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.81 3i96 n LEU 101 CO 0.48 0.38 0.12 0.59 -1.33 0.00 0.00 177.39 177.63 3i96 n ASN 102 N -0.26 -5.40 -4.77 -1.43 3.02 -0.82 -4.94 115.26 100.65 3i96 n ASN 102 Ca 0.00 -0.59 -0.37 0.00 -0.03 0.00 0.00 54.58 53.58 3i96 n ASN 102 Cb 0.14 -4.31 -0.02 0.00 -0.61 0.00 0.00 39.78 34.98 3i96 n ASN 102 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3i96 s TYR 103 N -3.25 3.01 0.21 3.10 2.02 -0.78 -4.83 117.35 116.84 3i96 s TYR 103 Ca 0.57 1.56 -0.30 0.00 -0.37 0.00 0.00 57.07 58.53 3i96 s TYR 103 Cb -0.27 -3.34 -0.08 0.00 -0.40 0.00 0.00 41.96 37.86 3i96 s TYR 103 CO 0.70 -1.29 1.07 0.99 -1.57 0.00 0.00 175.55 175.45 3i96 s THR 104 N -1.51 3.82 0.03 -0.71 2.01 -0.16 -4.33 115.64 114.78 3i96 s THR 104 Ca 0.60 1.66 0.06 0.00 0.31 0.00 0.00 61.69 64.33 3i96 s THR 104 Cb -0.28 -4.06 -0.03 0.00 0.01 0.00 0.00 72.50 68.14 3i96 s THR 104 CO 0.35 0.33 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.68 3i96 s LEU 105 N -0.74 2.66 0.59 4.42 1.43 -1.26 -0.65 118.68 125.12 3i96 s LEU 105 Ca 0.47 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.20 3i96 s LEU 105 Cb -0.29 -1.55 0.05 0.00 0.03 0.00 0.00 46.19 44.43 3i96 s LEU 105 CO 0.36 0.27 0.82 0.00 0.23 0.00 0.00 176.35 178.03 3i96 s GLU 107 N -4.85 4.18 0.29 0.00 2.56 -1.26 -4.97 118.70 114.65 3i96 s GLU 107 Ca 0.59 1.18 -0.29 0.00 0.00 0.00 0.00 54.97 56.45 3i96 s GLU 107 Cb -0.09 -2.21 -0.10 0.00 2.00 0.00 0.00 34.13 33.73 3i96 s GLU 107 CO 0.40 -0.08 1.16 1.41 -0.56 0.00 0.00 175.26 177.59 3i96 s MET 108 N -3.11 4.56 0.24 4.30 -2.45 -1.26 -4.45 119.30 117.12 3i96 s MET 108 Ca 0.62 1.92 0.11 0.00 -1.25 0.00 0.00 55.69 57.08 3i96 s MET 108 Cb -0.11 -3.16 -0.05 0.00 1.25 0.00 0.00 34.83 32.76 3i96 s MET 108 CO 0.15 0.09 -0.19 0.95 1.05 0.00 0.00 175.02 177.07 3i96 s THR 109 N -1.07 2.24 -0.01 10.11 -4.23 -0.59 -5.03 115.64 117.06 3i96 s THR 109 Ca 0.46 -2.26 -0.06 0.00 -1.18 0.00 0.00 61.69 58.66 3i96 s THR 109 Cb -0.34 -2.17 0.00 0.00 1.34 0.00 0.00 72.50 71.33 3i96 s THR 109 CO 0.44 -0.39 0.11 -0.54 -0.54 0.00 0.00 174.62 173.71 3i96 s LYS 110 N -3.33 0.39 -0.06 3.99 1.02 -1.26 -0.83 119.74 119.67 3i96 s LYS 110 Ca 0.25 -0.31 0.05 0.00 0.02 0.00 0.00 55.97 55.99 3i96 s LYS 110 Cb -0.05 0.16 -0.01 0.00 -0.52 0.00 0.00 37.83 37.42 3i96 s LYS 110 CO 0.12 -0.09 -0.22 0.45 -0.92 0.00 0.00 175.35 174.69 3i96 s SER 111 N -1.09 2.75 -0.01 2.83 0.15 0.50 -4.94 113.70 113.88 3i96 s SER 111 Ca -0.12 -0.46 -0.00 0.00 0.70 0.00 0.00 55.95 56.07 3i96 s SER 111 Cb -0.07 -0.84 0.02 0.00 -1.71 0.00 0.00 66.02 63.42 3i96 s SER 111 CO 0.01 0.20 0.02 -0.22 1.20 0.00 0.00 173.24 174.45 3i96 s LEU 112 N -0.01 1.46 0.00 3.45 2.96 -1.26 -1.39 118.68 123.89 3i96 s LEU 112 Ca -0.06 0.03 0.13 0.00 -0.22 0.00 0.00 54.13 54.01 3i96 s LEU 112 Cb -0.14 -0.03 0.10 0.00 0.50 0.00 0.00 46.19 46.63 3i96 s LEU 112 CO 0.04 -0.07 0.92 1.21 -1.32 0.00 0.00 176.35 177.12