#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ozu s THR 2 N 0.00 3.02 0.05 0.00 2.01 -0.90 -4.91 115.64 114.90 1ozu s THR 2 Ca 0.00 0.85 0.04 0.00 0.31 0.00 0.00 61.69 62.89 1ozu s THR 2 Cb 0.00 -3.54 -0.02 0.00 0.01 0.00 0.00 72.50 68.94 1ozu s THR 2 CO 0.00 0.13 -0.12 -0.54 -0.69 0.00 0.00 174.62 173.40 1ozu s LYS 3 N -0.25 0.76 0.17 4.92 1.02 -1.26 -0.91 119.74 124.19 1ozu s LYS 3 Ca 0.57 -0.79 -0.04 0.00 0.02 0.00 0.00 55.97 55.73 1ozu s LYS 3 Cb -0.38 -0.71 -0.03 0.00 -0.52 0.00 0.00 37.83 36.19 1ozu s LYS 3 CO 0.40 0.16 0.18 0.00 -0.92 0.00 0.00 175.35 175.17 1ozu s ALA 4 N -1.07 0.57 0.04 5.17 0.00 -0.36 -1.44 121.76 124.67 1ozu s ALA 4 Ca -0.02 -1.29 -0.14 0.00 0.00 0.00 0.00 51.96 50.50 1ozu s ALA 4 Cb -0.09 1.00 0.02 0.00 0.00 0.00 0.00 23.12 24.06 1ozu s ALA 4 CO 0.01 -0.59 0.32 0.54 0.00 0.00 0.00 175.76 176.04 1ozu s VAL 5 N -4.05 0.08 -0.07 0.00 0.11 0.10 -0.82 120.40 115.75 1ozu s VAL 5 Ca 0.25 -0.63 -0.03 0.00 -2.93 0.00 0.00 61.98 58.64 1ozu s VAL 5 Cb 0.05 -0.92 0.04 0.00 -1.53 0.00 0.00 36.38 34.03 1ozu s VAL 5 CO 0.04 -0.35 0.17 0.00 -3.33 0.00 0.00 175.10 171.63 1ozu s VAL 7 N 1.17 4.91 -0.09 0.00 1.01 -1.26 -1.11 120.40 125.04 1ozu s VAL 7 Ca -0.09 -0.43 -0.22 0.00 0.00 0.00 0.00 61.98 61.25 1ozu s VAL 7 Cb -0.11 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1ozu s VAL 7 CO -0.06 -0.04 0.62 -0.76 0.00 0.00 0.00 175.10 174.86 1ozu s LEU 8 N 1.65 4.30 0.03 3.92 1.43 0.06 -3.87 118.68 126.20 1ozu s LEU 8 Ca 0.05 1.06 -0.02 0.00 -1.03 0.00 0.00 54.13 54.19 1ozu s LEU 8 Cb -0.18 -2.95 -0.02 0.00 0.03 0.00 0.00 46.19 43.07 1ozu s LEU 8 CO 0.08 -0.08 0.01 -0.54 0.23 0.00 0.00 176.35 176.05 1ozu s LYS 9 N 0.76 0.47 0.00 1.70 3.01 -0.36 -1.78 119.74 123.54 1ozu s LYS 9 Ca 0.34 -0.80 0.00 0.00 -1.01 0.00 0.00 55.97 54.49 1ozu s LYS 9 Cb -0.17 0.17 0.00 0.00 -1.01 0.00 0.00 37.83 36.83 1ozu s LYS 9 CO 0.15 -0.09 0.00 0.41 0.51 0.00 0.00 175.35 176.33 1ozu n GLY 10 N 0.97 3.69 0.02 -3.33 0.00 -1.23 -1.27 105.19 104.04 1ozu n GLY 10 Ca -0.20 -1.18 0.13 0.00 0.00 0.00 0.00 46.02 44.77 1ozu n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ozu n ASP 11 N -0.75 0.41 0.00 1.61 8.00 -1.26 -4.91 116.55 119.65 1ozu n ASP 11 Ca 0.00 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.64 1ozu n ASP 11 Cb 0.00 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 1ozu n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ozu n GLY 12 N 1.45 4.69 0.00 0.44 0.00 -1.26 -5.03 105.19 105.49 1ozu n GLY 12 Ca 0.06 -1.78 0.14 0.00 0.00 0.00 0.00 46.02 44.44 1ozu n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ozu n PRO 13 N 0.00 0.18 -2.50 1.61 -0.04 -1.26 -4.87 135.00 128.12 1ozu n PRO 13 Ca 0.00 -0.01 -0.42 0.00 -0.04 0.00 0.00 63.50 63.03 1ozu n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 1ozu n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ozu s VAL 14 N -2.82 4.37 -0.05 0.52 1.01 -1.26 -4.09 120.40 118.08 1ozu s VAL 14 Ca 0.20 1.68 -0.27 0.00 0.00 0.00 0.00 61.98 63.58 1ozu s VAL 14 Cb 0.19 -4.08 0.06 0.00 0.00 0.00 0.00 36.38 32.56 1ozu s VAL 14 CO 0.51 -0.04 0.60 0.00 0.00 0.00 0.00 175.10 176.17 1ozu s GLN 15 N 2.47 0.97 0.13 2.72 -2.07 -0.88 -3.55 119.66 119.45 1ozu s GLN 15 Ca 0.54 0.18 -0.26 0.00 -1.82 0.00 0.00 55.36 54.00 1ozu s GLN 15 Cb -0.22 0.45 0.07 0.00 -1.09 0.00 0.00 33.01 32.22 1ozu s GLN 15 CO 0.19 -0.29 1.03 0.20 -1.32 0.00 0.00 175.29 175.09 1ozu s GLY 16 N -1.18 -0.24 -0.09 2.60 0.00 -0.73 -0.39 107.32 107.28 1ozu s GLY 16 Ca -0.11 0.19 0.01 0.00 0.00 0.00 0.00 44.72 44.80 1ozu s GLY 16 CO 0.09 0.21 -0.10 -0.42 0.00 0.00 0.00 173.10 172.88 1ozu s ILE 17 N -3.05 1.07 -0.11 0.90 1.01 -0.67 -0.76 121.20 119.60 1ozu s ILE 17 Ca 0.13 -0.37 0.03 0.00 0.00 0.00 0.00 60.65 60.44 1ozu s ILE 17 Cb -0.00 -1.04 0.01 0.00 0.01 0.00 0.00 42.46 41.43 1ozu s ILE 17 CO 0.01 0.36 -0.19 -0.63 0.00 0.00 0.00 174.94 174.49 1ozu s ILE 18 N 1.28 1.80 0.10 2.92 -1.09 -0.26 -1.95 121.20 124.00 1ozu s ILE 18 Ca -0.03 -0.84 0.02 0.00 -2.23 0.00 0.00 60.65 57.57 1ozu s ILE 18 Cb -0.14 -1.60 -0.04 0.00 -1.58 0.00 0.00 42.46 39.10 1ozu s ILE 18 CO -0.04 0.50 0.20 0.20 -1.23 0.00 0.00 174.94 174.58 1ozu s ASN 19 N 0.75 6.11 -0.00 3.58 0.01 0.12 -0.67 114.94 124.84 1ozu s ASN 19 Ca -0.10 0.14 0.03 0.00 -0.71 0.00 0.00 52.86 52.22 1ozu s ASN 19 Cb -0.16 -1.80 -0.01 0.00 0.41 0.00 0.00 41.25 39.69 1ozu s ASN 19 CO 0.01 0.12 -0.10 -0.36 -1.51 0.00 0.00 177.10 175.26 1ozu s PHE 20 N -1.59 0.86 -0.07 2.20 0.40 0.00 -1.03 117.98 118.75 1ozu s PHE 20 Ca 0.33 -0.19 -0.05 0.00 -0.60 0.00 0.00 56.93 56.43 1ozu s PHE 20 Cb -0.12 -0.55 0.03 0.00 0.51 0.00 0.00 43.02 42.89 1ozu s PHE 20 CO 0.27 -0.01 0.16 -2.00 0.70 0.00 0.00 175.22 174.34 1ozu s GLU 21 N -0.37 0.16 -0.13 0.44 2.12 -0.04 -1.22 118.70 119.65 1ozu s GLU 21 Ca 0.03 0.30 -0.02 0.00 0.36 0.00 0.00 54.97 55.64 1ozu s GLU 21 Cb -0.04 -0.02 0.04 0.00 0.26 0.00 0.00 34.13 34.37 1ozu s GLU 21 CO -0.00 -0.08 0.01 -1.14 -0.54 0.00 0.00 175.26 173.50 1ozu s GLN 22 N 0.57 0.72 0.18 4.30 0.74 -0.08 -0.32 119.66 125.77 1ozu s GLN 22 Ca -0.04 -0.18 0.01 0.00 0.05 0.00 0.00 55.36 55.19 1ozu s GLN 22 Cb -0.06 -1.58 0.07 0.00 1.10 0.00 0.00 33.01 32.55 1ozu s GLN 22 CO -0.03 -0.46 1.44 0.87 -0.55 0.00 0.00 175.29 176.56 1ozu h LYS 23 N 8.27 0.31 -3.79 1.67 1.57 -1.84 -2.39 116.57 120.38 1ozu h LYS 23 Ca -0.19 -0.27 -0.16 0.00 -1.87 0.00 0.00 60.65 58.16 1ozu h LYS 23 Cb 1.12 0.06 -0.20 0.00 0.08 0.00 0.00 32.23 33.29 1ozu h LYS 23 CO 0.31 0.93 -0.61 -1.83 -0.57 0.00 0.00 179.45 177.69 1ozu s GLU 24 N -3.51 0.41 0.60 3.15 -1.05 -1.26 -4.63 118.70 112.40 1ozu s GLU 24 Ca -0.05 -0.55 0.33 0.00 -0.15 0.00 0.00 54.97 54.55 1ozu s GLU 24 Cb 0.11 0.16 1.92 0.00 -0.44 0.00 0.00 34.13 35.87 1ozu s GLU 24 CO 0.83 -0.08 2.26 0.66 0.95 0.00 0.00 175.26 179.88 1ozu h SER 25 N 4.39 0.00 -0.24 0.83 4.64 -1.98 -0.02 113.55 121.16 1ozu h SER 25 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1ozu h SER 25 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1ozu h SER 25 CO 0.42 0.01 0.00 -0.46 -0.87 0.00 0.00 176.83 175.93 1ozu n ASN 26 N -3.66 2.68 -4.97 4.97 6.94 -1.26 -4.91 115.26 115.06 1ozu n ASN 26 Ca -0.03 -1.87 -0.20 0.00 -0.02 0.00 0.00 54.58 52.46 1ozu n ASN 26 Cb 0.10 -0.15 0.01 0.00 -2.36 0.00 0.00 39.78 37.38 1ozu n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1ozu s GLY 27 N -1.62 2.00 0.71 4.83 0.00 -0.02 -5.10 107.32 108.11 1ozu s GLY 27 Ca 0.35 -1.81 -0.12 0.00 0.00 0.00 0.00 44.72 43.14 1ozu s GLY 27 CO 0.30 -1.67 1.09 2.56 0.00 0.00 0.00 173.10 175.37 1ozu s PRO 28 N -4.38 2.65 -0.21 2.90 0.04 -1.26 -4.87 135.00 129.88 1ozu s PRO 28 Ca 0.52 1.20 -0.07 0.00 0.04 0.00 0.00 61.00 62.69 1ozu s PRO 28 Cb -0.06 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 1ozu s PRO 28 CO 0.32 -1.34 0.06 0.08 0.04 0.00 0.00 177.00 176.16 1ozu s VAL 29 N -2.71 4.58 -0.03 -0.36 1.01 0.59 -4.39 120.40 119.08 1ozu s VAL 29 Ca 0.63 -0.10 -0.25 0.00 0.00 0.00 0.00 61.98 62.26 1ozu s VAL 29 Cb -0.17 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 1ozu s VAL 29 CO 0.49 0.41 0.75 -0.75 0.00 0.00 0.00 175.10 176.01 1ozu s LYS 30 N 0.84 4.46 -0.15 2.72 2.36 0.56 -0.92 119.74 129.63 1ozu s LYS 30 Ca 0.03 1.00 0.01 0.00 -2.55 0.00 0.00 55.97 54.46 1ozu s LYS 30 Cb -0.14 -3.43 0.02 0.00 -1.05 0.00 0.00 37.83 33.23 1ozu s LYS 30 CO 0.02 0.10 -0.18 0.08 1.55 0.00 0.00 175.35 176.92 1ozu s VAL 31 N 0.63 1.83 -0.04 4.02 1.01 0.37 -0.86 120.40 127.36 1ozu s VAL 31 Ca 0.40 -0.82 -0.21 0.00 0.00 0.00 0.00 61.98 61.35 1ozu s VAL 31 Cb -0.19 -1.66 0.04 0.00 0.00 0.00 0.00 36.38 34.57 1ozu s VAL 31 CO 0.21 0.50 0.46 -1.66 0.00 0.00 0.00 175.10 174.61 1ozu s TRP 32 N 1.16 -0.39 -5.00 5.22 -2.14 -0.20 -0.51 118.94 117.09 1ozu s TRP 32 Ca -0.00 0.67 0.00 0.00 2.66 0.00 0.00 56.10 59.42 1ozu s TRP 32 Cb -0.14 0.22 0.00 0.00 -3.10 0.00 0.00 33.47 30.45 1ozu s TRP 32 CO -0.07 -0.46 0.00 0.41 -2.66 0.00 0.00 176.95 174.16 1ozu n GLY 33 N 1.26 -0.45 3.23 3.67 0.00 -0.78 0.14 105.19 112.25 1ozu n GLY 33 Ca -0.20 -0.90 -0.11 0.00 0.00 0.00 0.00 46.02 44.81 1ozu n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ozu s SER 34 N -4.00 -0.07 -0.08 1.61 1.04 -0.82 -0.57 113.70 110.80 1ozu s SER 34 Ca 0.00 -0.24 0.02 0.00 0.48 0.00 0.00 55.95 56.21 1ozu s SER 34 Cb 0.00 0.33 0.01 0.00 0.10 0.00 0.00 66.02 66.47 1ozu s SER 34 CO 0.00 -0.59 -0.12 -0.63 0.98 0.00 0.00 173.24 172.88 1ozu s ILE 35 N -2.49 1.19 0.39 -1.02 1.01 -0.32 -1.66 121.20 118.29 1ozu s ILE 35 Ca -0.05 -0.48 0.08 0.00 0.00 0.00 0.00 60.65 60.19 1ozu s ILE 35 Cb -0.01 -1.10 -0.03 0.00 0.01 0.00 0.00 42.46 41.33 1ozu s ILE 35 CO -0.03 0.37 0.30 -0.54 0.00 0.00 0.00 174.94 175.05 1ozu s LYS 36 N 0.86 2.50 -0.02 2.79 1.02 0.48 0.25 119.74 127.62 1ozu s LYS 36 Ca -0.11 -1.54 0.00 0.00 0.02 0.00 0.00 55.97 54.34 1ozu s LYS 36 Cb -0.15 -2.31 0.00 0.00 -0.52 0.00 0.00 37.83 34.85 1ozu s LYS 36 CO 0.01 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.76 1ozu n GLY 37 N -1.42 0.47 3.92 -3.33 0.00 -0.91 -2.08 105.19 101.84 1ozu n GLY 37 Ca 0.01 -0.32 -0.27 0.00 0.00 0.00 0.00 46.02 45.45 1ozu n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ozu s LEU 38 N -0.04 4.03 0.44 0.99 1.43 -0.76 -4.23 118.68 120.54 1ozu s LEU 38 Ca 0.00 0.59 -0.24 0.00 -1.03 0.00 0.00 54.13 53.46 1ozu s LEU 38 Cb 0.00 -3.43 -0.08 0.00 0.03 0.00 0.00 46.19 42.71 1ozu s LEU 38 CO 0.00 -0.24 1.16 0.42 0.23 0.00 0.00 176.35 177.92 1ozu s THR 39 N -2.19 3.16 0.32 5.49 -4.23 -1.26 -3.96 115.64 112.97 1ozu s THR 39 Ca 0.42 0.90 -0.28 0.00 -1.18 0.00 0.00 61.69 61.54 1ozu s THR 39 Cb -0.10 -3.47 -0.13 0.00 1.34 0.00 0.00 72.50 70.14 1ozu s THR 39 CO 0.33 0.02 1.29 1.21 -0.54 0.00 0.00 174.62 176.93 1ozu n GLU 40 N -0.31 2.07 0.00 3.99 2.13 -1.26 -4.56 120.64 122.71 1ozu n GLU 40 Ca 0.06 0.73 0.00 0.00 0.66 0.00 0.00 57.16 58.61 1ozu n GLU 40 Cb 0.48 -2.31 0.00 0.00 0.27 0.00 0.00 31.44 29.88 1ozu n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ozu n GLY 41 N 1.01 -0.21 3.79 8.31 0.00 -0.52 -4.88 105.19 112.68 1ozu n GLY 41 Ca 0.06 -2.21 -0.39 0.00 0.00 0.00 0.00 46.02 43.48 1ozu n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ozu s LEU 42 N 0.00 4.54 -0.03 0.99 1.43 -1.26 -0.66 118.68 123.69 1ozu s LEU 42 Ca 0.00 1.59 -0.01 0.00 -1.03 0.00 0.00 54.13 54.68 1ozu s LEU 42 Cb 0.00 -3.35 0.03 0.00 0.03 0.00 0.00 46.19 42.90 1ozu s LEU 42 CO 0.00 0.17 0.03 -1.00 0.23 0.00 0.00 176.35 175.78 1ozu s HIS 43 N -1.23 0.19 0.52 0.29 3.76 -0.00 -3.23 115.29 115.58 1ozu s HIS 43 Ca 0.37 0.09 -0.22 0.00 -0.15 0.00 0.00 55.06 55.15 1ozu s HIS 43 Cb -0.22 -0.41 -0.06 0.00 1.11 0.00 0.00 32.58 33.00 1ozu s HIS 43 CO 0.25 -0.15 1.24 0.41 -0.85 0.00 0.00 174.74 175.64 1ozu n GLY 44 N 4.55 0.45 2.65 -2.22 0.00 0.12 -1.07 105.19 109.66 1ozu n GLY 44 Ca -0.19 0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 1ozu n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ozu s PHE 45 N -1.31 0.10 0.02 1.61 5.36 0.08 -0.83 117.98 123.01 1ozu s PHE 45 Ca 0.69 -0.09 -0.02 0.00 -0.96 0.00 0.00 56.93 56.55 1ozu s PHE 45 Cb -0.45 -0.59 -0.02 0.00 -0.34 0.00 0.00 43.02 41.62 1ozu s PHE 45 CO 0.51 -0.44 0.00 -1.01 -1.46 0.00 0.00 175.22 172.82 1ozu s HIS 46 N 2.17 0.25 -0.23 10.12 3.76 -0.61 -2.17 115.29 128.58 1ozu s HIS 46 Ca 0.03 -0.52 -0.16 0.00 -0.15 0.00 0.00 55.06 54.26 1ozu s HIS 46 Cb -0.15 -0.19 -0.04 0.00 1.11 0.00 0.00 32.58 33.32 1ozu s HIS 46 CO -0.08 -0.24 0.40 0.08 -0.85 0.00 0.00 174.74 174.05 1ozu s VAL 47 N -1.77 5.18 0.27 -0.90 1.01 -0.03 -0.49 120.40 123.67 1ozu s VAL 47 Ca -0.13 0.68 0.04 0.00 0.00 0.00 0.00 61.98 62.57 1ozu s VAL 47 Cb -0.07 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1ozu s VAL 47 CO -0.02 0.21 0.41 -1.00 0.00 0.00 0.00 175.10 174.71 1ozu s HIS 48 N 1.61 3.45 0.15 5.22 3.76 0.13 -0.63 115.29 128.98 1ozu s HIS 48 Ca 0.18 0.07 -0.15 0.00 -0.15 0.00 0.00 55.06 55.01 1ozu s HIS 48 Cb -0.15 -1.67 0.03 0.00 1.11 0.00 0.00 32.58 31.89 1ozu s HIS 48 CO 0.08 0.34 1.74 1.49 -0.85 0.00 0.00 174.74 177.54 1ozu h GLU 49 N 1.05 0.67 -5.83 1.40 4.81 -0.69 -2.90 114.58 113.09 1ozu h GLU 49 Ca -0.51 -0.10 -0.67 0.00 -0.13 0.00 0.00 59.36 57.95 1ozu h GLU 49 Cb 1.23 -0.12 -0.18 0.00 0.63 0.00 0.00 28.75 30.31 1ozu h GLU 49 CO 0.61 0.56 -0.65 -0.06 -0.73 0.00 0.00 179.01 178.74 1ozu s PHE 50 N -5.73 3.06 -0.18 0.92 0.08 -0.16 -4.69 117.98 111.28 1ozu s PHE 50 Ca -0.13 0.01 -0.05 0.00 0.12 0.00 0.00 56.93 56.89 1ozu s PHE 50 Cb 0.11 -1.82 -0.11 0.00 -0.57 0.00 0.00 43.02 40.64 1ozu s PHE 50 CO 0.76 0.29 3.12 0.41 -0.10 0.00 0.00 175.22 179.69 1ozu n GLY 51 N 2.57 3.51 3.18 4.36 0.00 -1.03 -3.62 105.19 114.16 1ozu n GLY 51 Ca -0.18 -1.36 -0.36 0.00 0.00 0.00 0.00 46.02 44.12 1ozu n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ozu s ASP 52 N 1.31 5.08 -0.26 1.61 -1.08 -1.26 -4.94 116.67 117.13 1ozu s ASP 52 Ca 0.57 -1.45 0.11 0.00 -0.52 0.00 0.00 52.55 51.27 1ozu s ASP 52 Cb 0.32 -1.78 0.53 0.00 -1.46 0.00 0.00 42.92 40.52 1ozu s ASP 52 CO -0.08 -0.35 1.48 0.59 0.52 0.00 0.00 175.17 177.33 1ozu n ASN 53 N 4.66 3.06 0.24 -0.34 5.03 -1.26 -3.25 115.26 123.39 1ozu n ASN 53 Ca -0.10 -3.49 0.08 0.00 0.87 0.00 0.00 54.58 51.94 1ozu n ASN 53 Cb 0.43 -0.62 0.59 0.00 -1.02 0.00 0.00 39.78 39.16 1ozu n ASN 53 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 1ozu h THR 54 N 1.28 0.95 -1.16 3.41 1.35 -1.92 -2.12 112.91 114.70 1ozu h THR 54 Ca 0.17 -0.57 -0.58 0.00 -0.55 0.00 0.00 66.41 64.88 1ozu h THR 54 Cb 1.66 1.32 -0.42 0.00 -1.73 0.00 0.00 68.15 68.99 1ozu h THR 54 CO 0.38 0.15 -0.68 0.00 -0.25 0.00 0.00 175.52 175.12 1ozu n ALA 55 N -2.43 5.12 -0.84 6.62 0.00 -1.26 -5.05 120.51 122.67 1ozu n ALA 55 Ca -0.02 -4.05 0.00 0.00 0.00 0.00 0.00 53.44 49.37 1ozu n ALA 55 Cb 0.23 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.17 1ozu n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ozu n GLY 56 N -0.60 2.68 0.10 0.00 0.00 -0.80 -2.20 105.19 104.37 1ozu n GLY 56 Ca 0.42 -0.40 0.13 0.00 0.00 0.00 0.00 46.02 46.17 1ozu n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ozu h THR 58 N 0.00 0.90 -0.20 0.00 2.02 -1.78 -2.73 112.91 111.12 1ozu h THR 58 Ca 0.00 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.60 1ozu h THR 58 Cb 0.72 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 1ozu h THR 58 CO 0.00 0.15 0.00 -1.54 0.37 0.00 0.00 175.52 174.50 1ozu n SER 59 N -4.04 2.11 0.00 4.18 3.41 -1.24 -4.29 113.62 113.75 1ozu n SER 59 Ca -0.02 -1.77 0.10 0.00 -0.26 0.00 0.00 58.87 56.91 1ozu n SER 59 Cb 0.24 -0.12 0.44 0.00 -0.26 0.00 0.00 64.21 64.50 1ozu n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ozu n ALA 60 N 0.62 1.94 -0.11 7.33 0.00 -1.03 -4.49 120.51 124.77 1ozu n ALA 60 Ca 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1ozu n ALA 60 Cb 0.40 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1ozu n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ozu n GLY 61 N 0.58 -1.74 3.41 0.00 0.00 -1.26 -0.99 105.19 105.19 1ozu n GLY 61 Ca 0.05 -1.34 -0.25 0.00 0.00 0.00 0.00 46.02 44.48 1ozu n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ozu n PRO 62 N -0.14 -0.96 -1.76 1.61 -0.04 -1.26 -4.58 135.00 127.86 1ozu n PRO 62 Ca 0.00 -1.92 -0.41 0.00 -0.04 0.00 0.00 63.50 61.13 1ozu n PRO 62 Cb 0.00 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 1ozu n PRO 62 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1ozu n HIS 63 N -3.47 2.87 -1.87 0.54 8.25 -1.26 -0.66 115.22 119.63 1ozu n HIS 63 Ca 0.15 0.46 -0.42 0.00 -0.26 0.00 0.00 57.72 57.64 1ozu n HIS 63 Cb 0.51 -2.51 -0.03 0.00 1.12 0.00 0.00 29.99 29.08 1ozu n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1ozu s PHE 64 N -1.13 2.31 -0.43 4.41 5.36 0.20 -4.53 117.98 124.16 1ozu s PHE 64 Ca 0.55 0.21 0.08 0.00 -0.96 0.00 0.00 56.93 56.80 1ozu s PHE 64 Cb -0.48 -4.02 0.28 0.00 -0.34 0.00 0.00 43.02 38.45 1ozu s PHE 64 CO 0.63 -4.16 0.76 -1.71 -1.46 0.00 0.00 175.22 169.27 1ozu n ASN 65 N 5.72 -1.01 0.23 6.13 5.15 -1.26 -1.52 115.26 128.70 1ozu n ASN 65 Ca 0.16 -3.09 0.09 0.00 -0.60 0.00 0.00 54.58 51.15 1ozu n ASN 65 Cb 0.40 0.49 0.57 0.00 -0.53 0.00 0.00 39.78 40.72 1ozu n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1ozu h PRO 66 N 3.67 0.00 -0.19 1.20 0.13 -1.91 -2.58 132.00 132.33 1ozu h PRO 66 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1ozu h PRO 66 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1ozu h PRO 66 CO 0.38 0.21 0.00 1.28 -0.23 0.00 0.00 178.00 179.63 1ozu n LEU 67 N -3.71 2.04 -3.69 1.56 4.77 -1.26 -4.97 117.00 111.74 1ozu n LEU 67 Ca -0.01 -0.83 -0.23 0.00 -0.03 0.00 0.00 56.01 54.90 1ozu n LEU 67 Cb 0.32 -0.12 0.05 0.00 -2.33 0.00 0.00 43.42 41.34 1ozu n LEU 67 CO 0.33 0.42 0.06 -1.20 -1.33 0.00 0.00 177.39 175.67 1ozu n SER 68 N 0.57 -3.09 -5.02 -1.43 7.64 -0.97 -5.00 113.62 106.32 1ozu n SER 68 Ca 0.17 -0.73 -0.19 0.00 1.01 0.00 0.00 58.87 59.13 1ozu n SER 68 Cb 0.39 -4.37 0.05 0.00 -1.01 0.00 0.00 64.21 59.28 1ozu n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1ozu s ARG 69 N -6.08 2.44 0.40 1.43 1.81 -1.26 -5.12 118.95 112.57 1ozu s ARG 69 Ca 0.27 -1.51 -0.09 0.00 -1.72 0.00 0.00 55.73 52.68 1ozu s ARG 69 Cb -0.13 -2.67 -0.06 0.00 -0.45 0.00 0.00 34.95 31.64 1ozu s ARG 69 CO 0.79 -0.71 0.74 0.15 -0.68 0.00 0.00 175.30 175.59 1ozu s LYS 70 N -4.59 3.71 0.42 3.54 1.02 -1.26 -4.73 119.74 117.86 1ozu s LYS 70 Ca 0.60 0.34 -0.26 0.00 0.02 0.00 0.00 55.97 56.68 1ozu s LYS 70 Cb -0.07 -2.43 -0.09 0.00 -0.52 0.00 0.00 37.83 34.73 1ozu s LYS 70 CO 0.37 -0.03 1.37 -1.58 -0.92 0.00 0.00 175.35 174.57 1ozu s HIS 71 N -2.39 2.64 0.00 3.18 5.65 -1.26 -2.87 115.29 120.23 1ozu s HIS 71 Ca 0.49 1.33 0.00 0.00 0.25 0.00 0.00 55.06 57.13 1ozu s HIS 71 Cb -0.10 -3.81 0.00 0.00 -1.18 0.00 0.00 32.58 27.49 1ozu s HIS 71 CO 0.34 -2.54 0.00 0.41 -0.65 0.00 0.00 174.74 172.29 1ozu n GLY 72 N 0.61 2.02 3.96 1.59 0.00 -1.25 -4.66 105.19 107.46 1ozu n GLY 72 Ca 0.04 -0.98 -0.23 0.00 0.00 0.00 0.00 46.02 44.86 1ozu n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ozu s GLY 73 N -0.99 1.67 0.40 -0.02 0.00 -1.25 -4.76 107.32 102.38 1ozu s GLY 73 Ca 0.00 -1.13 0.07 0.00 0.00 0.00 0.00 44.72 43.66 1ozu s GLY 73 CO 0.00 -0.90 2.03 -0.56 0.00 0.00 0.00 173.10 173.67 1ozu h PRO 74 N 0.20 0.58 -0.40 2.90 0.13 -1.88 -2.13 132.00 131.40 1ozu h PRO 74 Ca -0.44 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ozu h PRO 74 Cb 1.27 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1ozu h PRO 74 CO 0.56 0.38 0.00 1.63 -0.23 0.00 0.00 178.00 180.34 1ozu n LYS 75 N -4.47 1.97 -3.34 0.86 5.02 -1.26 -4.90 118.16 112.05 1ozu n LYS 75 Ca 0.06 -1.51 -0.34 0.00 -2.02 0.00 0.00 58.31 54.50 1ozu n LYS 75 Cb 0.13 -1.34 -0.06 0.00 -0.02 0.00 0.00 35.03 33.74 1ozu n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ozu s ASP 76 N -1.08 6.75 0.04 4.39 1.01 -0.80 -5.00 116.67 121.98 1ozu s ASP 76 Ca 0.29 1.06 -0.21 0.00 0.71 0.00 0.00 52.55 54.40 1ozu s ASP 76 Cb 0.15 -2.28 -0.14 0.00 1.01 0.00 0.00 42.92 41.67 1ozu s ASP 76 CO 0.21 -0.01 1.40 -0.33 0.21 0.00 0.00 175.17 176.65 1ozu h GLU 77 N 2.98 0.30 -5.54 8.23 5.08 -1.90 -3.39 114.58 120.35 1ozu h GLU 77 Ca -0.48 -0.13 -0.64 0.00 -1.00 0.00 0.00 59.36 57.11 1ozu h GLU 77 Cb 1.18 -0.01 -0.14 0.00 0.50 0.00 0.00 28.75 30.28 1ozu h GLU 77 CO 0.67 0.63 0.36 -2.00 -1.00 0.00 0.00 179.01 177.66 1ozu s GLU 78 N -4.58 3.27 0.18 2.33 2.56 -1.26 -4.99 118.70 116.20 1ozu s GLU 78 Ca -0.14 -0.46 -0.21 0.00 0.00 0.00 0.00 54.97 54.16 1ozu s GLU 78 Cb 0.05 -4.05 0.05 0.00 2.00 0.00 0.00 34.13 32.18 1ozu s GLU 78 CO 0.73 -1.35 0.57 -0.98 -0.56 0.00 0.00 175.26 173.68 1ozu s ARG 79 N 3.41 1.33 0.45 4.30 1.70 -1.14 -3.97 118.95 125.03 1ozu s ARG 79 Ca 0.25 -0.64 -0.21 0.00 -0.47 0.00 0.00 55.73 54.66 1ozu s ARG 79 Cb -0.15 0.56 -0.10 0.00 -0.57 0.00 0.00 34.95 34.70 1ozu s ARG 79 CO 0.17 -0.58 0.99 -1.01 -1.08 0.00 0.00 175.30 173.80 1ozu s HIS 80 N -3.80 3.18 0.28 5.89 3.76 -1.18 -4.62 115.29 118.80 1ozu s HIS 80 Ca 0.04 1.60 0.02 0.00 -0.15 0.00 0.00 55.06 56.57 1ozu s HIS 80 Cb -0.01 -2.96 0.59 0.00 1.11 0.00 0.00 32.58 31.31 1ozu s HIS 80 CO -0.09 -0.45 1.81 0.28 -0.85 0.00 0.00 174.74 175.45 1ozu h VAL 81 N 1.79 0.85 0.00 -0.90 2.07 -1.87 -1.99 116.25 116.20 1ozu h VAL 81 Ca -0.49 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1ozu h VAL 81 Cb 1.20 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1ozu h VAL 81 CO 0.60 0.17 0.00 0.61 0.02 0.00 0.00 177.57 178.97 1ozu n GLY 82 N -1.34 -0.89 3.55 2.17 0.00 -0.58 -4.37 105.19 103.73 1ozu n GLY 82 Ca 0.20 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1ozu n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ozu s ASP 83 N -1.71 6.37 -0.10 1.61 -0.00 -0.75 -0.85 116.67 121.25 1ozu s ASP 83 Ca 0.29 -1.08 0.18 0.00 -0.00 0.00 0.00 52.55 51.94 1ozu s ASP 83 Cb 0.13 -2.56 0.70 0.00 -0.00 0.00 0.00 42.92 41.19 1ozu s ASP 83 CO 0.22 -1.62 1.61 0.18 -0.00 0.00 0.00 175.17 175.55 1ozu n LEU 84 N 9.01 4.59 0.00 1.23 4.77 -0.92 -3.64 117.00 132.04 1ozu n LEU 84 Ca 0.21 -2.31 0.00 0.00 -0.03 0.00 0.00 56.01 53.88 1ozu n LEU 84 Cb 0.50 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1ozu n LEU 84 CO 0.68 0.82 0.00 0.61 -1.33 0.00 0.00 177.39 178.16 1ozu n GLY 85 N 1.21 0.68 3.20 -0.72 0.00 -1.20 -4.79 105.19 103.57 1ozu n GLY 85 Ca 0.25 -0.70 -0.20 0.00 0.00 0.00 0.00 46.02 45.38 1ozu n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ozu s ASN 86 N -4.00 1.88 0.26 1.61 0.01 -1.26 -0.74 114.94 112.70 1ozu s ASN 86 Ca 0.00 -0.63 0.08 0.00 -0.71 0.00 0.00 52.86 51.60 1ozu s ASN 86 Cb 0.00 -0.07 -0.04 0.00 0.41 0.00 0.00 41.25 41.55 1ozu s ASN 86 CO 0.00 -0.04 0.12 0.68 -1.51 0.00 0.00 177.10 176.35 1ozu s VAL 87 N -1.25 3.99 -0.13 1.60 -7.23 -0.24 -4.90 120.40 112.24 1ozu s VAL 87 Ca -0.00 -1.61 0.02 0.00 -1.81 0.00 0.00 61.98 58.58 1ozu s VAL 87 Cb -0.10 -3.17 0.01 0.00 0.56 0.00 0.00 36.38 33.69 1ozu s VAL 87 CO 0.03 -0.35 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.40 1ozu s THR 88 N -2.22 1.71 0.01 5.32 2.01 -1.26 -0.82 115.64 120.38 1ozu s THR 88 Ca 0.33 -0.76 -0.13 0.00 0.31 0.00 0.00 61.69 61.43 1ozu s THR 88 Cb -0.07 -1.55 -0.06 0.00 0.01 0.00 0.00 72.50 70.83 1ozu s THR 88 CO 0.23 0.48 0.39 0.00 -0.69 0.00 0.00 174.62 175.03 1ozu s ALA 89 N 1.01 3.71 1.06 7.40 0.00 0.17 -3.90 121.76 131.21 1ozu s ALA 89 Ca -0.05 -0.27 -0.14 0.00 0.00 0.00 0.00 51.96 51.50 1ozu s ALA 89 Cb -0.15 -2.34 0.20 0.00 0.00 0.00 0.00 23.12 20.83 1ozu s ALA 89 CO -0.03 0.50 0.99 -0.40 0.00 0.00 0.00 175.76 176.83 1ozu n ASP 90 N 1.68 -0.48 0.19 0.00 3.85 0.44 -1.44 116.55 120.79 1ozu n ASP 90 Ca -0.13 -1.28 0.14 0.00 -0.71 0.00 0.00 54.79 52.81 1ozu n ASP 90 Cb 0.52 -0.80 0.62 0.00 -1.35 0.00 0.00 41.12 40.12 1ozu n ASP 90 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.20 176.26 1ozu h LYS 91 N 0.00 0.00 -0.21 0.11 2.10 -1.97 -0.51 116.57 116.10 1ozu h LYS 91 Ca -0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.32 1ozu h LYS 91 Cb 0.95 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.28 1ozu h LYS 91 CO 0.23 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.43 1ozu n ASP 92 N -2.50 2.15 0.00 7.07 8.00 -1.26 -4.89 116.55 125.12 1ozu n ASP 92 Ca 0.01 -1.78 0.00 0.00 0.71 0.00 0.00 54.79 53.72 1ozu n ASP 92 Cb 0.19 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 1ozu n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ozu n GLY 93 N 1.23 0.55 3.56 0.44 0.00 -0.20 -4.65 105.19 106.11 1ozu n GLY 93 Ca 0.17 -0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 1ozu n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ozu s VAL 94 N -2.00 5.02 -0.30 1.61 1.01 -1.26 -1.83 120.40 122.65 1ozu s VAL 94 Ca 0.00 0.07 -0.09 0.00 0.00 0.00 0.00 61.98 61.96 1ozu s VAL 94 Cb 0.00 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.99 1ozu s VAL 94 CO 0.00 0.29 0.14 0.00 0.00 0.00 0.00 175.10 175.53 1ozu s ALA 95 N 1.62 3.28 -0.12 5.51 0.00 0.14 -0.42 121.76 131.77 1ozu s ALA 95 Ca 0.07 -1.34 -0.24 0.00 0.00 0.00 0.00 51.96 50.45 1ozu s ALA 95 Cb -0.15 -2.35 -0.03 0.00 0.00 0.00 0.00 23.12 20.59 1ozu s ALA 95 CO 0.08 -0.83 0.77 0.34 0.00 0.00 0.00 175.76 176.12 1ozu s ASP 96 N 1.62 6.96 -0.19 0.00 2.15 -1.25 -1.18 116.67 124.79 1ozu s ASP 96 Ca 0.05 1.17 -0.05 0.00 0.43 0.00 0.00 52.55 54.15 1ozu s ASP 96 Cb -0.17 -2.43 -0.03 0.00 -0.30 0.00 0.00 42.92 39.99 1ozu s ASP 96 CO 0.06 -0.27 -0.01 -0.69 -0.17 0.00 0.00 175.17 174.09 1ozu s VAL 97 N 1.54 3.94 -0.30 1.11 1.01 0.27 -4.70 120.40 123.27 1ozu s VAL 97 Ca 0.38 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1ozu s VAL 97 Cb -0.17 -2.76 0.14 0.00 0.00 0.00 0.00 36.38 33.58 1ozu s VAL 97 CO 0.15 0.45 0.31 -0.55 0.00 0.00 0.00 175.10 175.47 1ozu s SER 98 N 0.81 1.49 0.08 3.32 0.15 -1.25 -1.87 113.70 116.42 1ozu s SER 98 Ca 0.00 -0.78 0.06 0.00 0.70 0.00 0.00 55.95 55.93 1ozu s SER 98 Cb -0.14 0.58 -0.03 0.00 -1.71 0.00 0.00 66.02 64.72 1ozu s SER 98 CO 0.02 -0.38 -0.16 -0.63 1.20 0.00 0.00 173.24 173.29 1ozu s ILE 99 N 2.31 1.27 -0.10 6.45 1.01 0.34 -5.00 121.20 127.47 1ozu s ILE 99 Ca 0.10 -1.35 0.00 0.00 0.00 0.00 0.00 60.65 59.40 1ozu s ILE 99 Cb -0.14 -1.20 0.02 0.00 0.01 0.00 0.00 42.46 41.16 1ozu s ILE 99 CO -0.31 -0.17 -0.09 -0.70 0.00 0.00 0.00 174.94 173.68 1ozu s GLU 100 N -1.74 1.59 -0.04 2.79 2.12 -1.26 -0.48 118.70 121.68 1ozu s GLU 100 Ca 0.00 -0.30 0.02 0.00 0.36 0.00 0.00 54.97 55.06 1ozu s GLU 100 Cb -0.10 -1.57 0.01 0.00 0.26 0.00 0.00 34.13 32.73 1ozu s GLU 100 CO 0.03 -0.21 -0.08 0.34 -0.54 0.00 0.00 175.26 174.80 1ozu s ASP 101 N 1.49 1.24 0.00 -1.70 -1.08 -0.09 -4.94 116.67 111.58 1ozu s ASP 101 Ca 0.01 -0.19 0.20 0.00 -0.52 0.00 0.00 52.55 52.05 1ozu s ASP 101 Cb -0.13 -0.45 0.35 0.00 -1.46 0.00 0.00 42.92 41.23 1ozu s ASP 101 CO -0.06 0.03 1.31 -1.54 0.52 0.00 0.00 175.17 175.43 1ozu n SER 102 N 3.57 3.20 -0.12 -0.34 3.41 -1.26 -0.30 113.62 121.78 1ozu n SER 102 Ca -0.21 -1.93 -0.25 0.00 -0.26 0.00 0.00 58.87 56.23 1ozu n SER 102 Cb 0.53 -0.20 -0.11 0.00 -0.26 0.00 0.00 64.21 64.16 1ozu n SER 102 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1ozu n VAL 103 N 1.27 1.55 -1.01 -3.33 0.31 -1.26 -4.85 118.33 111.01 1ozu n VAL 103 Ca 0.17 -0.40 -0.31 0.00 -0.01 0.00 0.00 64.34 63.79 1ozu n VAL 103 Cb 0.55 -1.77 0.13 0.00 -0.91 0.00 0.00 33.84 31.83 1ozu n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1ozu s ILE 104 N -2.49 2.73 0.12 2.52 -4.36 -1.26 -4.85 121.20 113.60 1ozu s ILE 104 Ca -0.34 0.24 -0.10 0.00 -0.26 0.00 0.00 60.65 60.18 1ozu s ILE 104 Cb 0.11 -2.52 0.00 0.00 1.25 0.00 0.00 42.46 41.30 1ozu s ILE 104 CO 0.57 -0.31 0.26 -0.55 0.24 0.00 0.00 174.94 175.14 1ozu s SER 105 N -3.08 0.04 -0.02 4.36 0.15 -0.93 -4.60 113.70 109.62 1ozu s SER 105 Ca 0.64 -0.68 0.18 0.00 0.70 0.00 0.00 55.95 56.78 1ozu s SER 105 Cb -0.20 0.40 0.54 0.00 -1.71 0.00 0.00 66.02 65.04 1ozu s SER 105 CO 0.57 -0.81 1.45 0.18 1.20 0.00 0.00 173.24 175.83 1ozu n LEU 106 N -0.14 3.70 -3.94 3.45 4.77 -1.26 -1.34 117.00 122.23 1ozu n LEU 106 Ca -0.12 -2.08 -0.09 0.00 -0.03 0.00 0.00 56.01 53.69 1ozu n LEU 106 Cb 0.63 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 1ozu n LEU 106 CO 0.22 0.87 0.30 -0.94 -1.33 0.00 0.00 177.39 176.52 1ozu s SER 107 N -1.02 -0.07 0.30 -1.43 1.04 -1.26 -4.85 113.70 106.41 1ozu s SER 107 Ca 0.40 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.95 1ozu s SER 107 Cb 0.22 0.66 0.00 0.00 0.10 0.00 0.00 66.02 67.00 1ozu s SER 107 CO 0.26 -1.27 0.00 0.61 0.98 0.00 0.00 173.24 173.81 1ozu n GLY 108 N -0.43 -1.24 0.17 7.32 0.00 -1.26 -4.14 105.19 105.61 1ozu n GLY 108 Ca -0.03 -1.23 0.13 0.00 0.00 0.00 0.00 46.02 44.90 1ozu n GLY 108 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1ozu h ASP 109 N 0.00 0.00 -3.59 1.61 2.03 -2.01 -3.47 116.42 110.99 1ozu h ASP 109 Ca 0.00 0.00 -0.65 0.00 -0.73 0.00 0.00 57.03 55.65 1ozu h ASP 109 Cb 0.00 0.00 -0.15 0.00 -0.83 0.00 0.00 39.33 38.35 1ozu h ASP 109 CO 0.00 0.00 0.13 -1.00 -1.03 0.00 0.00 179.24 177.34 1ozu s HIS 110 N -3.31 3.08 0.00 4.15 3.76 -1.26 -4.90 115.29 116.81 1ozu s HIS 110 Ca 0.06 0.02 0.00 0.00 -0.15 0.00 0.00 55.06 54.98 1ozu s HIS 110 Cb 0.09 -3.31 0.00 0.00 1.11 0.00 0.00 32.58 30.47 1ozu s HIS 110 CO 0.53 -0.83 0.00 0.44 -0.85 0.00 0.00 174.74 174.03 1ozu n ILE 112 N 5.81 0.00 -1.70 0.60 -5.35 -0.45 -2.20 119.36 116.07 1ozu n ILE 112 Ca -0.02 0.00 -0.44 0.00 -0.27 0.00 0.00 62.75 62.03 1ozu n ILE 112 Cb 0.48 0.03 -0.03 0.00 -1.74 0.00 0.00 39.64 38.38 1ozu n ILE 112 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1ozu n ILE 113 N 0.00 0.55 -0.72 7.28 5.41 -1.26 -1.67 119.36 128.95 1ozu n ILE 113 Ca 0.00 -0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.61 1ozu n ILE 113 Cb 0.09 -1.74 0.00 0.00 -0.71 0.00 0.00 39.64 37.28 1ozu n ILE 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ozu n GLY 114 N 2.83 0.86 3.39 7.39 0.00 0.43 -4.99 105.19 115.10 1ozu n GLY 114 Ca 0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.97 1ozu n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ozu n ARG 115 N -2.00 0.68 -4.46 1.61 1.74 -0.67 -2.46 116.66 111.09 1ozu n ARG 115 Ca 0.00 -2.78 -0.34 0.00 -0.77 0.00 0.00 57.85 53.96 1ozu n ARG 115 Cb 0.00 -0.10 -0.14 0.00 -1.02 0.00 0.00 32.46 31.20 1ozu n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1ozu s THR 116 N -2.19 3.39 -0.04 0.55 2.01 -1.10 -0.76 115.64 117.50 1ozu s THR 116 Ca 0.48 -0.53 -0.19 0.00 0.31 0.00 0.00 61.69 61.76 1ozu s THR 116 Cb -0.04 -2.47 -0.05 0.00 0.01 0.00 0.00 72.50 69.95 1ozu s THR 116 CO 0.30 0.49 0.54 -0.22 -0.69 0.00 0.00 174.62 175.05 1ozu s LEU 117 N 0.60 4.37 -0.03 4.42 2.96 -0.41 0.19 118.68 130.79 1ozu s LEU 117 Ca -0.05 1.03 0.03 0.00 -0.22 0.00 0.00 54.13 54.92 1ozu s LEU 117 Cb -0.15 -2.82 -0.00 0.00 0.50 0.00 0.00 46.19 43.72 1ozu s LEU 117 CO 0.03 0.08 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.33 1ozu s VAL 118 N 0.02 1.00 -0.09 1.68 1.01 0.35 -2.06 120.40 122.31 1ozu s VAL 118 Ca 0.29 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1ozu s VAL 118 Cb -0.17 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 1ozu s VAL 118 CO 0.15 0.30 -0.08 0.54 0.00 0.00 0.00 175.10 176.00 1ozu s VAL 119 N 0.01 3.53 0.30 2.92 0.11 -0.64 -1.57 120.40 125.06 1ozu s VAL 119 Ca -0.01 -0.52 0.07 0.00 -2.93 0.00 0.00 61.98 58.59 1ozu s VAL 119 Cb -0.08 -2.46 -0.03 0.00 -1.53 0.00 0.00 36.38 32.28 1ozu s VAL 119 CO 0.01 0.56 0.30 -1.00 -3.33 0.00 0.00 175.10 171.64 1ozu s HIS 120 N -0.38 3.08 0.20 1.54 3.76 -0.01 -1.09 115.29 122.39 1ozu s HIS 120 Ca 0.05 -0.19 -0.10 0.00 -0.15 0.00 0.00 55.06 54.67 1ozu s HIS 120 Cb -0.12 -1.67 0.13 0.00 1.11 0.00 0.00 32.58 32.02 1ozu s HIS 120 CO 0.02 0.29 1.82 1.49 -0.85 0.00 0.00 174.74 177.51 1ozu h GLU 121 N 1.26 0.99 -5.21 1.40 4.81 -0.81 -3.37 114.58 113.66 1ozu h GLU 121 Ca -0.47 -0.12 -0.66 0.00 -0.13 0.00 0.00 59.36 57.99 1ozu h GLU 121 Cb 1.25 -0.19 -0.13 0.00 0.63 0.00 0.00 28.75 30.30 1ozu h GLU 121 CO 0.58 0.74 -0.52 0.15 -0.73 0.00 0.00 179.01 179.23 1ozu s LYS 122 N -5.85 2.14 0.44 1.92 1.02 0.78 -4.88 119.74 115.30 1ozu s LYS 122 Ca -0.13 -2.35 -0.23 0.00 0.02 0.00 0.00 55.97 53.28 1ozu s LYS 122 Cb 0.14 -1.40 -0.08 0.00 -0.52 0.00 0.00 37.83 35.98 1ozu s LYS 122 CO 0.79 -0.36 1.13 0.00 -0.92 0.00 0.00 175.35 176.00 1ozu s ALA 123 N -2.92 3.01 -0.22 5.17 0.00 -1.20 -0.70 121.76 124.90 1ozu s ALA 123 Ca 0.10 0.87 -0.23 0.00 0.00 0.00 0.00 51.96 52.70 1ozu s ALA 123 Cb 0.02 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 1ozu s ALA 123 CO 0.06 -0.53 0.77 0.34 0.00 0.00 0.00 175.76 176.40 1ozu s ASP 124 N -1.41 6.80 0.00 0.00 -1.08 -1.26 -3.82 116.67 115.90 1ozu s ASP 124 Ca 0.62 0.99 0.26 0.00 -0.52 0.00 0.00 52.55 53.89 1ozu s ASP 124 Cb -0.27 -2.41 1.55 0.00 -1.46 0.00 0.00 42.92 40.33 1ozu s ASP 124 CO 0.33 -0.43 1.98 -0.90 0.52 0.00 0.00 175.17 176.66 1ozu n ASP 125 N 5.63 0.00 -1.13 -0.34 5.68 -0.11 -4.88 116.55 121.40 1ozu n ASP 125 Ca 0.03 -1.11 -0.15 0.00 -0.50 0.00 0.00 54.79 53.07 1ozu n ASP 125 Cb 0.48 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.40 1ozu n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1ozu n LEU 126 N -0.92 -0.81 -0.29 -2.12 4.77 -1.26 -0.67 117.00 115.70 1ozu n LEU 126 Ca 0.19 0.37 -0.04 0.00 -0.03 0.00 0.00 56.01 56.50 1ozu n LEU 126 Cb 0.09 -2.72 -0.02 0.00 -2.33 0.00 0.00 43.42 38.45 1ozu n LEU 126 CO 0.15 -1.04 -0.04 0.61 -1.33 0.00 0.00 177.39 175.74 1ozu n GLY 127 N -0.08 0.67 2.52 -0.72 0.00 -1.26 -3.78 105.19 102.54 1ozu n GLY 127 Ca -0.15 -0.50 -0.27 0.00 0.00 0.00 0.00 46.02 45.10 1ozu n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ozu n LYS 128 N -2.47 3.40 0.00 1.61 5.02 0.16 -4.79 118.16 121.09 1ozu n LYS 128 Ca -0.04 -4.50 0.13 0.00 -2.02 0.00 0.00 58.31 51.89 1ozu n LYS 128 Cb 0.18 -2.25 0.45 0.00 -0.02 0.00 0.00 35.03 33.39 1ozu n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ozu n GLY 129 N -0.47 -1.05 2.50 0.72 0.00 -1.26 -4.95 105.19 100.68 1ozu n GLY 129 Ca 0.39 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1ozu n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ozu n GLY 130 N 1.39 0.66 1.16 -0.02 0.00 -1.26 -5.21 105.19 101.91 1ozu n GLY 130 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1ozu n GLY 130 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ozu n ASN 131 N -0.04 0.17 0.00 1.61 4.05 -1.26 -5.31 115.26 114.48 1ozu n ASN 131 Ca 0.00 0.04 0.00 0.00 0.45 0.00 0.00 54.58 55.07 1ozu n ASN 131 Cb 0.02 -0.04 0.00 0.00 1.23 0.00 0.00 39.78 40.99 1ozu n ASN 131 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 177.26 175.28 1ozu n THR 135 N -3.03 0.00 0.33 -0.44 5.66 -1.26 -5.14 114.28 110.39 1ozu n THR 135 Ca 0.00 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 61.03 1ozu n THR 135 Cb 0.35 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.09 1ozu n THR 135 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1ozu n LYS 136 N -1.02 4.18 -0.01 1.09 5.02 -1.26 -4.21 118.16 121.95 1ozu n LYS 136 Ca 0.00 -0.11 -0.01 0.00 -2.02 0.00 0.00 58.31 56.17 1ozu n LYS 136 Cb 0.00 -0.86 -0.01 0.00 -0.02 0.00 0.00 35.03 34.14 1ozu n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1ozu n THR 137 N -0.97 0.08 -0.42 -0.18 -2.24 -1.26 -4.74 114.28 104.54 1ozu n THR 137 Ca 0.02 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1ozu n THR 137 Cb 0.12 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 67.48 1ozu n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ozu n GLY 138 N 3.05 0.75 3.64 3.38 0.00 -1.26 -4.36 105.19 110.39 1ozu n GLY 138 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 1ozu n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ozu n ASN 139 N 0.00 -5.46 -0.41 1.61 3.02 -1.26 -0.94 115.26 111.82 1ozu n ASN 139 Ca 0.00 -0.60 0.10 0.00 -0.03 0.00 0.00 54.58 54.05 1ozu n ASN 139 Cb 0.00 -4.81 0.40 0.00 -0.61 0.00 0.00 39.78 34.75 1ozu n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ozu n ALA 140 N -4.84 2.54 -0.28 5.41 0.00 -1.25 -4.72 120.51 117.37 1ozu n ALA 140 Ca -0.03 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1ozu n ALA 140 Cb 0.57 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.89 1ozu n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ozu n GLY 141 N 1.03 -0.65 3.74 0.00 0.00 -1.26 -0.16 105.19 107.89 1ozu n GLY 141 Ca 0.15 -1.13 -0.31 0.00 0.00 0.00 0.00 46.02 44.72 1ozu n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ozu s SER 142 N -4.00 4.03 -0.59 1.61 1.04 -1.26 -4.58 113.70 109.96 1ozu s SER 142 Ca 0.00 1.96 -0.23 0.00 0.48 0.00 0.00 55.95 58.16 1ozu s SER 142 Cb 0.00 -2.54 0.05 0.00 0.10 0.00 0.00 66.02 63.63 1ozu s SER 142 CO 0.00 -2.36 0.94 -0.13 0.98 0.00 0.00 173.24 172.67 1ozu s ARG 143 N -4.76 3.25 0.09 4.02 0.52 -1.26 -0.84 118.95 119.96 1ozu s ARG 143 Ca 0.64 -0.47 -0.03 0.00 -0.52 0.00 0.00 55.73 55.34 1ozu s ARG 143 Cb -0.19 -4.11 -0.24 0.00 0.52 0.00 0.00 34.95 30.92 1ozu s ARG 143 CO 0.56 -1.59 1.18 -0.07 0.02 0.00 0.00 175.30 175.40 1ozu h LEU 144 N 11.08 0.39 -7.00 2.53 3.38 -1.42 -3.47 115.31 120.79 1ozu h LEU 144 Ca -0.27 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.27 1ozu h LEU 144 Cb 1.07 -0.12 -0.16 0.00 0.09 0.00 0.00 40.66 41.54 1ozu h LEU 144 CO 1.11 1.29 0.21 0.00 0.09 0.00 0.00 178.44 181.15 1ozu s ALA 145 N -2.75 -1.70 0.23 1.53 0.00 -1.19 -4.20 121.76 113.69 1ozu s ALA 145 Ca -0.04 0.94 -0.22 0.00 0.00 0.00 0.00 51.96 52.64 1ozu s ALA 145 Cb 0.08 0.40 0.04 0.00 0.00 0.00 0.00 23.12 23.64 1ozu s ALA 145 CO 0.87 -0.56 0.74 0.00 0.00 0.00 0.00 175.76 176.82 1ozu s GLY 147 N -2.89 -0.37 0.08 0.00 0.00 -0.87 -1.22 107.32 102.05 1ozu s GLY 147 Ca 0.10 0.35 -0.25 0.00 0.00 0.00 0.00 44.72 44.92 1ozu s GLY 147 CO 0.03 0.11 0.76 0.14 0.00 0.00 0.00 173.10 174.14 1ozu s VAL 148 N -3.51 4.64 -0.23 1.40 1.01 -1.26 -1.29 120.40 121.15 1ozu s VAL 148 Ca 0.07 1.63 -0.27 0.00 0.00 0.00 0.00 61.98 63.41 1ozu s VAL 148 Cb -0.02 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.25 1ozu s VAL 148 CO -0.04 0.41 0.96 -0.63 0.00 0.00 0.00 175.10 175.81 1ozu s ILE 149 N -0.37 4.74 0.29 2.22 1.01 0.06 -4.54 121.20 124.61 1ozu s ILE 149 Ca 0.37 1.86 0.10 0.00 0.00 0.00 0.00 60.65 62.99 1ozu s ILE 149 Cb -0.21 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 37.97 1ozu s ILE 149 CO 0.24 -0.14 -0.08 -0.83 0.00 0.00 0.00 174.94 174.13 1ozu s GLY 150 N 1.25 1.83 0.25 6.18 0.00 0.06 -0.43 107.32 116.45 1ozu s GLY 150 Ca 0.41 -1.80 -0.30 0.00 0.00 0.00 0.00 44.72 43.03 1ozu s GLY 150 CO 0.07 -1.85 1.30 -0.42 0.00 0.00 0.00 173.10 172.19 1ozu s ILE 151 N -2.44 3.05 0.27 0.90 1.01 -1.26 -0.72 121.20 122.01 1ozu s ILE 151 Ca 0.31 0.93 0.06 0.00 0.00 0.00 0.00 60.65 61.96 1ozu s ILE 151 Cb -0.05 -3.59 -0.06 0.00 0.01 0.00 0.00 42.46 38.77 1ozu s ILE 151 CO 0.18 0.17 -0.06 0.00 0.00 0.00 0.00 174.94 175.23 1ozu s ALA 152 N -0.35 2.27 -2.20 9.38 0.00 -0.52 -4.75 121.76 125.59 1ozu s ALA 152 Ca 0.54 -1.87 0.30 0.00 0.00 0.00 0.00 51.96 50.93 1ozu s ALA 152 Cb -0.37 0.20 1.56 0.00 0.00 0.00 0.00 23.12 24.51 1ozu s ALA 152 CO 0.43 -0.08 2.03 0.94 0.00 0.00 0.00 175.76 179.08