#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ozt s THR 2 N 0.00 4.04 0.08 0.00 2.01 -1.07 -4.89 115.64 115.81 1ozt s THR 2 Ca 0.00 1.02 0.02 0.00 0.31 0.00 0.00 61.69 63.03 1ozt s THR 2 Cb 0.00 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 1ozt s THR 2 CO 0.00 -0.52 -0.06 -0.54 -0.69 0.00 0.00 174.62 172.81 1ozt s LYS 3 N -3.94 0.75 0.16 4.92 1.02 -1.26 -1.90 119.74 119.49 1ozt s LYS 3 Ca 0.63 -1.21 -0.16 0.00 0.02 0.00 0.00 55.97 55.24 1ozt s LYS 3 Cb -0.14 -0.18 0.03 0.00 -0.52 0.00 0.00 37.83 37.02 1ozt s LYS 3 CO 0.32 -0.01 0.44 0.00 -0.92 0.00 0.00 175.35 175.18 1ozt s ALA 4 N -3.22 -0.85 0.12 5.17 0.00 -0.57 -1.94 121.76 120.47 1ozt s ALA 4 Ca 0.07 -0.19 -0.08 0.00 0.00 0.00 0.00 51.96 51.76 1ozt s ALA 4 Cb 0.03 0.77 -0.01 0.00 0.00 0.00 0.00 23.12 23.91 1ozt s ALA 4 CO -0.04 -0.71 0.21 0.54 0.00 0.00 0.00 175.76 175.76 1ozt s VAL 5 N -3.85 0.11 -0.15 0.00 0.11 0.33 -0.52 120.40 116.44 1ozt s VAL 5 Ca 0.07 -1.31 -0.09 0.00 -2.93 0.00 0.00 61.98 57.71 1ozt s VAL 5 Cb 0.01 -1.57 0.05 0.00 -1.53 0.00 0.00 36.38 33.34 1ozt s VAL 5 CO -0.07 -0.52 0.36 0.00 -3.33 0.00 0.00 175.10 171.54 1ozt s VAL 7 N 1.14 4.47 -0.11 0.00 1.01 -1.26 -1.37 120.40 124.28 1ozt s VAL 7 Ca -0.08 -0.12 -0.16 0.00 0.00 0.00 0.00 61.98 61.62 1ozt s VAL 7 Cb -0.08 -3.08 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 1ozt s VAL 7 CO -0.09 0.34 0.40 -0.76 0.00 0.00 0.00 175.10 174.99 1ozt s LEU 8 N 1.47 4.30 0.05 3.92 2.01 0.17 -3.82 118.68 126.78 1ozt s LEU 8 Ca 0.06 0.73 -0.11 0.00 0.01 0.00 0.00 54.13 54.82 1ozt s LEU 8 Cb -0.15 -2.56 0.01 0.00 0.01 0.00 0.00 46.19 43.50 1ozt s LEU 8 CO 0.04 0.10 0.24 -0.54 1.01 0.00 0.00 176.35 177.20 1ozt s LYS 9 N 0.25 0.77 0.05 1.70 1.02 -0.24 -2.50 119.74 120.80 1ozt s LYS 9 Ca 0.22 -0.64 -0.01 0.00 0.02 0.00 0.00 55.97 55.56 1ozt s LYS 9 Cb -0.15 0.33 0.00 0.00 -0.52 0.00 0.00 37.83 37.49 1ozt s LYS 9 CO 0.09 -0.24 0.08 0.41 -0.92 0.00 0.00 175.35 174.77 1ozt n GLY 10 N 0.49 2.39 0.24 -3.33 0.00 -1.24 -0.44 105.19 103.29 1ozt n GLY 10 Ca -0.18 -1.21 0.14 0.00 0.00 0.00 0.00 46.02 44.77 1ozt n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ozt h ASP 11 N 0.25 0.00 -0.73 1.61 3.32 -1.92 -3.46 116.42 115.50 1ozt h ASP 11 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1ozt h ASP 11 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1ozt h ASP 11 CO 0.05 0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.19 1ozt n GLY 12 N 0.70 1.63 0.25 2.75 0.00 -1.26 -5.01 105.19 104.25 1ozt n GLY 12 Ca 0.03 -1.89 0.14 0.00 0.00 0.00 0.00 46.02 44.29 1ozt n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ozt n PRO 13 N 0.00 0.98 -2.35 1.61 -0.04 -1.26 -4.91 135.00 129.03 1ozt n PRO 13 Ca 0.00 -0.50 -0.42 0.00 -0.04 0.00 0.00 63.50 62.53 1ozt n PRO 13 Cb 0.00 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 1ozt n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ozt s VAL 14 N -2.37 3.91 -0.07 0.52 1.01 -1.26 -4.24 120.40 117.90 1ozt s VAL 14 Ca 0.29 1.33 -0.30 0.00 0.00 0.00 0.00 61.98 63.30 1ozt s VAL 14 Cb 0.20 -3.85 0.09 0.00 0.00 0.00 0.00 36.38 32.81 1ozt s VAL 14 CO 0.46 0.05 0.77 0.00 0.00 0.00 0.00 175.10 176.39 1ozt s GLN 15 N 1.68 0.93 0.02 2.72 -2.07 -0.88 -3.71 119.66 118.34 1ozt s GLN 15 Ca 0.60 0.17 -0.24 0.00 -1.82 0.00 0.00 55.36 54.08 1ozt s GLN 15 Cb -0.30 0.44 0.08 0.00 -1.09 0.00 0.00 33.01 32.14 1ozt s GLN 15 CO 0.27 -0.30 1.08 0.41 -1.32 0.00 0.00 175.29 175.43 1ozt n GLY 16 N 0.76 0.34 2.91 2.60 0.00 -1.04 -0.34 105.19 110.42 1ozt n GLY 16 Ca -0.16 -1.04 -0.20 0.00 0.00 0.00 0.00 46.02 44.62 1ozt n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ozt s ILE 17 N -2.05 0.59 0.03 -0.61 1.01 -0.89 -0.66 121.20 118.63 1ozt s ILE 17 Ca 0.25 -0.16 0.08 0.00 0.00 0.00 0.00 60.65 60.83 1ozt s ILE 17 Cb -0.01 -0.61 -0.02 0.00 0.01 0.00 0.00 42.46 41.83 1ozt s ILE 17 CO 0.00 0.24 -0.23 -0.63 0.00 0.00 0.00 174.94 174.32 1ozt s ILE 18 N 0.89 1.87 0.15 2.92 -1.09 -0.47 -2.43 121.20 123.04 1ozt s ILE 18 Ca -0.12 -1.21 0.11 0.00 -2.23 0.00 0.00 60.65 57.20 1ozt s ILE 18 Cb -0.14 -1.59 -0.04 0.00 -1.58 0.00 0.00 42.46 39.10 1ozt s ILE 18 CO 0.00 0.34 -0.24 0.20 -1.23 0.00 0.00 174.94 174.01 1ozt s ASN 19 N -1.03 3.47 0.03 3.58 0.01 0.15 -1.04 114.94 120.09 1ozt s ASN 19 Ca 0.09 -0.76 0.04 0.00 -0.71 0.00 0.00 52.86 51.53 1ozt s ASN 19 Cb -0.09 -0.29 -0.02 0.00 0.41 0.00 0.00 41.25 41.26 1ozt s ASN 19 CO 0.01 0.16 -0.13 -0.36 -1.51 0.00 0.00 177.10 175.27 1ozt s PHE 20 N -1.29 1.12 -0.11 2.20 0.40 0.33 -1.45 117.98 119.18 1ozt s PHE 20 Ca 0.17 -0.31 -0.05 0.00 -0.60 0.00 0.00 56.93 56.13 1ozt s PHE 20 Cb -0.09 -0.68 0.05 0.00 0.51 0.00 0.00 43.02 42.80 1ozt s PHE 20 CO 0.08 0.01 0.25 -2.00 0.70 0.00 0.00 175.22 174.27 1ozt s GLU 21 N -0.92 0.22 -0.34 0.44 2.12 -0.14 -1.52 118.70 118.56 1ozt s GLU 21 Ca 0.02 0.54 -0.01 0.00 0.36 0.00 0.00 54.97 55.88 1ozt s GLU 21 Cb -0.07 -0.11 0.11 0.00 0.26 0.00 0.00 34.13 34.32 1ozt s GLU 21 CO 0.01 -0.16 0.15 -1.14 -0.54 0.00 0.00 175.26 173.58 1ozt s GLN 22 N 1.25 0.65 0.57 4.30 0.74 -0.80 0.49 119.66 126.87 1ozt s GLN 22 Ca -0.09 -1.15 0.37 0.00 0.05 0.00 0.00 55.36 54.53 1ozt s GLN 22 Cb -0.10 -1.71 1.73 0.00 1.10 0.00 0.00 33.01 34.02 1ozt s GLN 22 CO -0.09 -1.07 2.10 0.87 -0.55 0.00 0.00 175.29 176.55 1ozt h LYS 23 N 7.72 0.00 -4.00 1.67 1.57 -1.81 -2.84 116.57 118.88 1ozt h LYS 23 Ca -0.09 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.40 1ozt h LYS 23 Cb 0.99 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 33.01 1ozt h LYS 23 CO 0.43 0.00 -0.74 -1.21 -0.57 0.00 0.00 179.45 177.36 1ozt s GLU 24 N -3.82 0.24 0.26 3.15 2.02 -1.26 -3.59 118.70 115.69 1ozt s GLU 24 Ca -0.01 -0.08 -0.06 0.00 0.02 0.00 0.00 54.97 54.84 1ozt s GLU 24 Cb 0.10 -0.25 0.45 0.00 0.10 0.00 0.00 34.13 34.53 1ozt s GLU 24 CO 0.47 0.04 1.40 0.45 0.02 0.00 0.00 175.26 177.64 1ozt n SER 25 N 3.14 -0.29 -1.21 -0.19 2.88 -1.26 0.13 113.62 116.82 1ozt n SER 25 Ca -0.14 1.54 0.08 0.00 -1.33 0.00 0.00 58.87 59.02 1ozt n SER 25 Cb 0.58 -0.48 0.31 0.00 -0.75 0.00 0.00 64.21 63.87 1ozt n SER 25 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1ozt n ASN 26 N -5.44 4.46 -4.11 -3.46 6.94 -1.26 -4.90 115.26 107.49 1ozt n ASN 26 Ca 0.15 -2.95 -0.18 0.00 -0.02 0.00 0.00 54.58 51.58 1ozt n ASN 26 Cb 0.48 -0.58 0.09 0.00 -2.36 0.00 0.00 39.78 37.41 1ozt n ASN 26 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ozt n GLY 27 N -0.09 0.88 3.83 4.83 0.00 0.12 -5.09 105.19 109.66 1ozt n GLY 27 Ca 0.23 -2.05 -0.31 0.00 0.00 0.00 0.00 46.02 43.90 1ozt n GLY 27 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ozt s PRO 28 N -4.51 2.89 -0.15 1.61 0.02 -1.26 -4.88 135.00 128.71 1ozt s PRO 28 Ca 0.53 0.85 -0.01 0.00 0.02 0.00 0.00 61.00 62.38 1ozt s PRO 28 Cb -0.03 -1.99 -0.01 0.00 0.02 0.00 0.00 34.50 32.48 1ozt s PRO 28 CO 0.35 -1.10 -0.10 0.08 -0.33 0.00 0.00 177.00 175.90 1ozt s VAL 29 N -3.10 3.23 -0.11 3.83 1.01 0.47 -4.39 120.40 121.35 1ozt s VAL 29 Ca 0.58 -0.58 -0.16 0.00 0.00 0.00 0.00 61.98 61.82 1ozt s VAL 29 Cb -0.13 -2.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 1ozt s VAL 29 CO 0.55 0.50 0.39 -0.54 0.00 0.00 0.00 175.10 175.99 1ozt s LYS 30 N 0.61 4.21 -0.10 2.72 1.02 0.18 -1.46 119.74 126.92 1ozt s LYS 30 Ca -0.06 0.30 0.01 0.00 0.02 0.00 0.00 55.97 56.24 1ozt s LYS 30 Cb -0.15 -3.39 0.02 0.00 -0.52 0.00 0.00 37.83 33.79 1ozt s LYS 30 CO 0.03 0.30 -0.11 0.54 -0.92 0.00 0.00 175.35 175.19 1ozt s VAL 31 N 0.20 1.17 0.12 3.17 0.11 -0.47 -0.97 120.40 123.73 1ozt s VAL 31 Ca 0.22 -0.44 -0.10 0.00 -2.93 0.00 0.00 61.98 58.73 1ozt s VAL 31 Cb -0.15 -1.12 0.00 0.00 -1.53 0.00 0.00 36.38 33.59 1ozt s VAL 31 CO 0.08 0.38 0.26 -1.66 -3.33 0.00 0.00 175.10 170.83 1ozt s TRP 32 N 1.17 0.15 -5.00 1.54 -2.14 -0.53 -0.74 118.94 113.39 1ozt s TRP 32 Ca -0.04 -0.54 0.00 0.00 2.66 0.00 0.00 56.10 58.18 1ozt s TRP 32 Cb -0.14 0.01 0.00 0.00 -3.10 0.00 0.00 33.47 30.24 1ozt s TRP 32 CO -0.03 -0.63 0.00 0.41 -2.66 0.00 0.00 176.95 174.04 1ozt n GLY 33 N -0.14 -0.02 3.24 3.67 0.00 -0.63 0.32 105.19 111.64 1ozt n GLY 33 Ca -0.13 -1.29 -0.10 0.00 0.00 0.00 0.00 46.02 44.50 1ozt n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ozt s SER 34 N -4.00 -0.06 -0.02 1.61 1.04 -1.02 0.01 113.70 111.27 1ozt s SER 34 Ca 0.00 -0.37 0.04 0.00 0.48 0.00 0.00 55.95 56.09 1ozt s SER 34 Cb 0.00 0.37 -0.01 0.00 0.10 0.00 0.00 66.02 66.48 1ozt s SER 34 CO 0.00 -0.69 -0.12 -0.63 0.98 0.00 0.00 173.24 172.78 1ozt s ILE 35 N -3.21 0.98 0.40 -1.02 1.01 -0.38 -2.09 121.20 116.90 1ozt s ILE 35 Ca -0.00 -0.51 0.05 0.00 0.00 0.00 0.00 60.65 60.19 1ozt s ILE 35 Cb 0.01 -0.84 -0.06 0.00 0.01 0.00 0.00 42.46 41.58 1ozt s ILE 35 CO -0.07 0.29 0.03 -1.59 0.00 0.00 0.00 174.94 173.59 1ozt s LYS 36 N -0.12 1.91 0.00 2.79 -2.85 0.54 0.01 119.74 122.03 1ozt s LYS 36 Ca 0.02 -2.11 0.00 0.00 -1.00 0.00 0.00 55.97 52.88 1ozt s LYS 36 Cb -0.07 -1.37 0.00 0.00 -2.06 0.00 0.00 37.83 34.33 1ozt s LYS 36 CO 0.00 -0.15 0.00 0.41 0.10 0.00 0.00 175.35 175.71 1ozt n GLY 37 N -0.94 0.53 3.87 0.59 0.00 -0.81 -2.07 105.19 106.36 1ozt n GLY 37 Ca -0.06 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 1ozt n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ozt s LEU 38 N 0.00 4.13 0.46 0.99 1.02 -0.38 -4.24 118.68 120.65 1ozt s LEU 38 Ca 0.00 0.96 -0.21 0.00 0.02 0.00 0.00 54.13 54.90 1ozt s LEU 38 Cb 0.00 -3.74 -0.09 0.00 0.02 0.00 0.00 46.19 42.38 1ozt s LEU 38 CO 0.00 -0.11 1.02 0.42 0.02 0.00 0.00 176.35 177.70 1ozt s THR 39 N -1.88 3.90 0.32 5.49 -4.23 -1.26 -3.89 115.64 114.09 1ozt s THR 39 Ca 0.48 1.23 -0.29 0.00 -1.18 0.00 0.00 61.69 61.93 1ozt s THR 39 Cb -0.11 -3.52 -0.12 0.00 1.34 0.00 0.00 72.50 70.09 1ozt s THR 39 CO 0.22 -0.21 1.38 1.21 -0.54 0.00 0.00 174.62 176.68 1ozt n GLU 40 N -0.74 2.28 0.00 3.99 2.13 -1.26 -4.62 120.64 122.42 1ozt n GLU 40 Ca 0.08 0.80 0.00 0.00 0.66 0.00 0.00 57.16 58.70 1ozt n GLU 40 Cb 0.52 -2.45 0.00 0.00 0.27 0.00 0.00 31.44 29.78 1ozt n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ozt n GLY 41 N 1.12 0.38 3.74 8.31 0.00 0.75 -4.89 105.19 114.59 1ozt n GLY 41 Ca 0.06 -2.24 -0.40 0.00 0.00 0.00 0.00 46.02 43.43 1ozt n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ozt s LEU 42 N 0.00 4.52 -0.04 0.99 1.02 -1.26 -0.24 118.68 123.67 1ozt s LEU 42 Ca 0.00 1.73 0.00 0.00 0.02 0.00 0.00 54.13 55.88 1ozt s LEU 42 Cb 0.00 -3.48 0.03 0.00 0.02 0.00 0.00 46.19 42.76 1ozt s LEU 42 CO 0.00 0.02 -0.00 -1.00 0.02 0.00 0.00 176.35 175.39 1ozt s HIS 43 N -0.35 0.42 0.35 0.29 3.76 0.03 -2.97 115.29 116.82 1ozt s HIS 43 Ca 0.43 -0.04 -0.28 0.00 -0.15 0.00 0.00 55.06 55.02 1ozt s HIS 43 Cb -0.23 -0.50 -0.12 0.00 1.11 0.00 0.00 32.58 32.83 1ozt s HIS 43 CO 0.28 -0.17 1.31 0.41 -0.85 0.00 0.00 174.74 175.72 1ozt n GLY 44 N 4.30 0.64 2.75 -2.22 0.00 -0.15 -0.63 105.19 109.89 1ozt n GLY 44 Ca -0.23 0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1ozt n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ozt s PHE 45 N -1.10 1.41 0.07 1.61 5.36 -0.34 0.33 117.98 125.32 1ozt s PHE 45 Ca 0.55 -1.27 -0.00 0.00 -0.96 0.00 0.00 56.93 55.25 1ozt s PHE 45 Cb -0.56 -1.33 -0.04 0.00 -0.34 0.00 0.00 43.02 40.76 1ozt s PHE 45 CO 0.62 -0.73 -0.04 1.03 -1.46 0.00 0.00 175.22 174.64 1ozt s ARG 46 N 1.72 0.70 -0.25 10.12 0.52 -0.37 -1.87 118.95 129.52 1ozt s ARG 46 Ca 0.02 -1.27 -0.10 0.00 -0.52 0.00 0.00 55.73 53.87 1ozt s ARG 46 Cb -0.17 0.07 -0.05 0.00 0.52 0.00 0.00 34.95 35.32 1ozt s ARG 46 CO -0.15 -0.08 0.15 0.08 0.02 0.00 0.00 175.30 175.32 1ozt s VAL 47 N -3.82 5.14 0.24 3.52 1.01 -0.23 0.66 120.40 126.93 1ozt s VAL 47 Ca 0.09 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.22 1ozt s VAL 47 Cb 0.07 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 1ozt s VAL 47 CO -0.08 0.33 0.38 -1.00 0.00 0.00 0.00 175.10 174.73 1ozt s HIS 48 N 1.26 3.46 0.26 5.22 0.09 0.19 -0.11 115.29 125.67 1ozt s HIS 48 Ca 0.07 0.05 -0.02 0.00 -0.00 0.00 0.00 55.06 55.15 1ozt s HIS 48 Cb -0.14 -1.63 0.46 0.00 -0.00 0.00 0.00 32.58 31.27 1ozt s HIS 48 CO 0.06 0.41 1.82 1.49 -0.00 0.00 0.00 174.74 178.52 1ozt h GLU 49 N 1.23 0.86 -6.25 1.40 4.81 -0.87 -2.92 114.58 112.84 1ozt h GLU 49 Ca -0.51 -0.05 -0.69 0.00 -0.13 0.00 0.00 59.36 57.98 1ozt h GLU 49 Cb 1.22 -0.19 -0.20 0.00 0.63 0.00 0.00 28.75 30.21 1ozt h GLU 49 CO 0.62 0.57 -0.72 -0.06 -0.73 0.00 0.00 179.01 178.68 1ozt s PHE 50 N -6.00 2.84 -0.60 0.92 0.08 0.11 -4.70 117.98 110.63 1ozt s PHE 50 Ca -0.12 -0.06 -0.04 0.00 0.12 0.00 0.00 56.93 56.84 1ozt s PHE 50 Cb 0.21 -1.66 0.13 0.00 -0.57 0.00 0.00 43.02 41.13 1ozt s PHE 50 CO 0.79 0.29 2.58 0.41 -0.10 0.00 0.00 175.22 179.20 1ozt n GLY 51 N 2.10 4.67 3.26 4.36 0.00 -1.10 -3.43 105.19 115.04 1ozt n GLY 51 Ca -0.17 -2.03 -0.35 0.00 0.00 0.00 0.00 46.02 43.47 1ozt n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ozt s ASP 52 N 0.04 4.50 -0.17 1.61 -1.08 -1.26 -4.95 116.67 115.36 1ozt s ASP 52 Ca 0.57 -0.72 0.16 0.00 -0.52 0.00 0.00 52.55 52.03 1ozt s ASP 52 Cb 0.38 -1.73 0.39 0.00 -1.46 0.00 0.00 42.92 40.49 1ozt s ASP 52 CO -0.25 -0.12 1.25 -3.20 0.52 0.00 0.00 175.17 173.37 1ozt n ASN 53 N 4.75 2.47 0.26 -0.34 4.05 -1.26 -2.96 115.26 122.22 1ozt n ASN 53 Ca -0.16 -3.35 0.10 0.00 0.45 0.00 0.00 54.58 51.62 1ozt n ASN 53 Cb 0.48 -0.50 0.68 0.00 1.23 0.00 0.00 39.78 41.67 1ozt n ASN 53 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 1ozt h THR 54 N 0.65 0.83 -1.82 -0.44 1.35 -1.93 -3.00 112.91 108.55 1ozt h THR 54 Ca 0.03 -0.34 -0.53 0.00 -0.55 0.00 0.00 66.41 65.01 1ozt h THR 54 Cb 1.15 1.20 -0.41 0.00 -1.73 0.00 0.00 68.15 68.35 1ozt h THR 54 CO 0.08 0.09 -0.86 0.00 -0.25 0.00 0.00 175.52 174.58 1ozt n ALA 55 N -2.42 4.08 -0.78 6.62 0.00 -1.26 -5.06 120.51 121.69 1ozt n ALA 55 Ca -0.03 -4.11 0.00 0.00 0.00 0.00 0.00 53.44 49.31 1ozt n ALA 55 Cb 0.18 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 18.88 1ozt n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ozt n GLY 56 N -0.18 0.27 0.05 0.00 0.00 -1.13 -2.99 105.19 101.20 1ozt n GLY 56 Ca 0.29 -0.95 0.09 0.00 0.00 0.00 0.00 46.02 45.45 1ozt n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ozt h THR 58 N 0.00 1.24 0.00 0.00 2.02 -1.87 -2.56 112.91 111.74 1ozt h THR 58 Ca 0.00 -0.79 0.00 0.00 0.77 0.00 0.00 66.41 66.39 1ozt h THR 58 Cb 0.30 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1ozt h THR 58 CO 0.00 0.31 0.00 -1.20 0.37 0.00 0.00 175.52 175.00 1ozt n SER 59 N -4.29 0.00 0.22 4.18 7.64 -1.16 -2.23 113.62 117.98 1ozt n SER 59 Ca 0.06 0.45 0.15 0.00 1.01 0.00 0.00 58.87 60.54 1ozt n SER 59 Cb 0.19 -0.47 0.69 0.00 -1.01 0.00 0.00 64.21 63.61 1ozt n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ozt h ALA 60 N 2.42 1.00 -0.23 -0.43 0.00 -1.34 -3.40 119.26 117.27 1ozt h ALA 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ozt h ALA 60 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1ozt h ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1ozt n GLY 61 N -0.38 -0.65 3.49 0.00 0.00 -0.95 -0.71 105.19 105.99 1ozt n GLY 61 Ca 0.00 -1.13 -0.30 0.00 0.00 0.00 0.00 46.02 44.59 1ozt n GLY 61 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ozt s PRO 62 N 0.00 -1.77 0.48 1.61 0.02 -1.26 -4.68 135.00 129.40 1ozt s PRO 62 Ca 0.00 0.05 -0.19 0.00 0.02 0.00 0.00 61.00 60.88 1ozt s PRO 62 Cb 0.00 -1.52 -0.09 0.00 0.02 0.00 0.00 34.50 32.91 1ozt s PRO 62 CO 0.00 -4.10 0.97 -3.38 -0.33 0.00 0.00 177.00 170.17 1ozt s HIS 63 N -2.74 3.36 -0.03 6.54 -3.43 -1.26 -0.69 115.29 117.04 1ozt s HIS 63 Ca 0.70 1.53 -0.30 0.00 -0.80 0.00 0.00 55.06 56.19 1ozt s HIS 63 Cb -0.12 -2.83 -0.06 0.00 -1.43 0.00 0.00 32.58 28.14 1ozt s HIS 63 CO 0.57 -0.30 1.63 0.12 -2.00 0.00 0.00 174.74 174.75 1ozt s PHE 64 N -2.41 2.15 -0.46 0.38 5.36 0.85 -4.33 117.98 119.52 1ozt s PHE 64 Ca 0.61 0.28 0.07 0.00 -0.96 0.00 0.00 56.93 56.93 1ozt s PHE 64 Cb -0.10 -3.90 0.18 0.00 -0.34 0.00 0.00 43.02 38.87 1ozt s PHE 64 CO 0.23 -3.70 0.65 1.21 -1.46 0.00 0.00 175.22 172.16 1ozt s ASN 65 N 3.01 -1.29 0.00 6.13 2.47 -1.26 -0.69 114.94 123.30 1ozt s ASN 65 Ca 0.72 -1.30 0.00 0.00 0.42 0.00 0.00 52.86 52.70 1ozt s ASN 65 Cb -0.34 1.81 0.00 0.00 -1.45 0.00 0.00 41.25 41.27 1ozt s ASN 65 CO 0.30 -0.12 0.00 -2.65 -3.72 0.00 0.00 177.10 170.91 1ozt n PRO 66 N 3.71 2.07 0.00 0.43 -0.02 -1.26 -4.98 135.00 134.95 1ozt n PRO 66 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1ozt n PRO 66 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.04 1ozt n PRO 66 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1ozt n LEU 67 N 0.00 0.00 0.00 2.45 0.00 -1.26 -5.03 117.00 113.16 1ozt n LEU 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1ozt n LEU 67 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 1ozt n LEU 67 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 177.39 175.28 1ozt n ARG 79 N 0.00 0.00 -3.24 1.96 1.85 -1.26 -5.24 116.66 110.73 1ozt n ARG 79 Ca 0.00 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.46 1ozt n ARG 79 Cb 0.00 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.35 1ozt n ARG 79 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1ozt s HIS 80 N 0.00 3.63 0.27 2.89 3.76 -1.26 -4.98 115.29 119.61 1ozt s HIS 80 Ca 0.00 1.11 -0.06 0.00 -0.15 0.00 0.00 55.06 55.96 1ozt s HIS 80 Cb 0.00 -2.59 0.49 0.00 1.11 0.00 0.00 32.58 31.59 1ozt s HIS 80 CO 0.00 0.30 1.59 0.28 -0.85 0.00 0.00 174.74 176.06 1ozt h VAL 81 N 4.31 0.12 0.00 -0.90 2.07 -1.94 0.17 116.25 120.08 1ozt h VAL 81 Ca -0.44 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1ozt h VAL 81 Cb 1.20 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1ozt h VAL 81 CO 0.71 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.91 1ozt n GLY 82 N -1.53 -1.05 3.60 2.17 0.00 0.13 -4.43 105.19 104.09 1ozt n GLY 82 Ca 0.16 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1ozt n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ozt s ASP 83 N -2.81 6.36 0.00 1.61 1.01 0.59 -1.07 116.67 122.37 1ozt s ASP 83 Ca 0.13 0.77 0.20 0.00 0.71 0.00 0.00 52.55 54.36 1ozt s ASP 83 Cb 0.13 -2.54 0.46 0.00 1.01 0.00 0.00 42.92 41.98 1ozt s ASP 83 CO 0.32 -1.42 1.39 0.18 0.21 0.00 0.00 175.17 175.85 1ozt n LEU 84 N 8.74 3.47 0.00 1.23 4.77 -0.78 -4.91 117.00 129.52 1ozt n LEU 84 Ca 0.16 -1.71 0.00 0.00 -0.03 0.00 0.00 56.01 54.43 1ozt n LEU 84 Cb 0.48 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1ozt n LEU 84 CO 0.71 0.80 0.00 0.61 -1.33 0.00 0.00 177.39 178.18 1ozt n GLY 85 N 1.35 0.80 3.26 -0.72 0.00 -1.21 -4.88 105.19 103.79 1ozt n GLY 85 Ca 0.19 -1.23 -0.14 0.00 0.00 0.00 0.00 46.02 44.84 1ozt n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ozt s ASN 86 N -4.00 1.63 0.12 1.61 0.01 -1.26 -1.20 114.94 111.85 1ozt s ASN 86 Ca 0.00 -1.08 0.10 0.00 -0.71 0.00 0.00 52.86 51.17 1ozt s ASN 86 Cb 0.00 0.03 -0.04 0.00 0.41 0.00 0.00 41.25 41.65 1ozt s ASN 86 CO 0.00 -0.42 -0.25 0.68 -1.51 0.00 0.00 177.10 175.60 1ozt s VAL 87 N -3.43 2.05 -0.16 1.60 -7.23 0.20 -4.85 120.40 108.58 1ozt s VAL 87 Ca 0.20 -1.67 -0.01 0.00 -1.81 0.00 0.00 61.98 58.69 1ozt s VAL 87 Cb 0.04 -1.83 -0.01 0.00 0.56 0.00 0.00 36.38 35.14 1ozt s VAL 87 CO 0.02 0.04 -0.11 -0.89 -0.31 0.00 0.00 175.10 173.85 1ozt s THR 88 N -1.09 3.03 -0.18 5.32 2.01 -1.26 -0.79 115.64 122.68 1ozt s THR 88 Ca 0.11 -0.64 -0.12 0.00 0.31 0.00 0.00 61.69 61.35 1ozt s THR 88 Cb -0.10 -2.31 -0.05 0.00 0.01 0.00 0.00 72.50 70.06 1ozt s THR 88 CO 0.05 0.50 0.22 0.00 -0.69 0.00 0.00 174.62 174.70 1ozt s ALA 89 N 0.80 3.63 1.05 7.40 0.00 0.66 -4.05 121.76 131.26 1ozt s ALA 89 Ca -0.04 -0.55 -0.07 0.00 0.00 0.00 0.00 51.96 51.30 1ozt s ALA 89 Cb -0.15 -2.30 0.10 0.00 0.00 0.00 0.00 23.12 20.77 1ozt s ALA 89 CO 0.01 0.12 0.43 -0.40 0.00 0.00 0.00 175.76 175.91 1ozt n ASP 90 N 3.55 -0.80 0.32 0.00 5.68 0.43 -0.18 116.55 125.56 1ozt n ASP 90 Ca -0.14 -0.92 0.20 0.00 -0.50 0.00 0.00 54.79 53.43 1ozt n ASP 90 Cb 0.52 -0.36 1.05 0.00 -1.14 0.00 0.00 41.12 41.19 1ozt n ASP 90 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1ozt h LYS 91 N 0.00 0.00 -0.17 0.11 2.10 -1.97 -0.99 116.57 115.65 1ozt h LYS 91 Ca -0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.50 1ozt h LYS 91 Cb 0.44 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.77 1ozt h LYS 91 CO 0.10 0.01 0.00 -0.25 -2.00 0.00 0.00 179.45 177.31 1ozt n ASP 92 N -3.30 1.67 0.00 7.07 8.00 -1.26 -4.83 116.55 123.91 1ozt n ASP 92 Ca -0.02 -1.72 0.00 0.00 0.71 0.00 0.00 54.79 53.76 1ozt n ASP 92 Cb 0.12 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1ozt n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ozt n GLY 93 N 1.13 0.48 3.59 0.44 0.00 -0.37 -4.73 105.19 105.71 1ozt n GLY 93 Ca 0.16 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 1ozt n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ozt s VAL 94 N -2.00 4.13 -0.20 1.61 1.01 -1.26 -1.25 120.40 122.44 1ozt s VAL 94 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 1ozt s VAL 94 Cb 0.00 -2.78 0.01 0.00 0.00 0.00 0.00 36.38 33.61 1ozt s VAL 94 CO 0.00 0.54 -0.12 0.00 0.00 0.00 0.00 175.10 175.52 1ozt s ALA 95 N -0.20 2.56 -0.20 5.51 0.00 0.10 -0.42 121.76 129.11 1ozt s ALA 95 Ca 0.05 -1.19 -0.16 0.00 0.00 0.00 0.00 51.96 50.65 1ozt s ALA 95 Cb -0.13 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.53 1ozt s ALA 95 CO 0.02 -0.38 0.43 0.34 0.00 0.00 0.00 175.76 176.17 1ozt s ASP 96 N 1.37 6.47 -0.12 0.00 2.15 -1.26 -1.24 116.67 124.04 1ozt s ASP 96 Ca 0.05 0.55 -0.02 0.00 0.43 0.00 0.00 52.55 53.56 1ozt s ASP 96 Cb -0.14 -2.25 -0.03 0.00 -0.30 0.00 0.00 42.92 40.21 1ozt s ASP 96 CO -0.08 -0.10 -0.04 -0.69 -0.17 0.00 0.00 175.17 174.09 1ozt s VAL 97 N 1.39 3.93 -0.28 1.11 1.01 0.10 -4.79 120.40 122.88 1ozt s VAL 97 Ca 0.20 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 61.80 1ozt s VAL 97 Cb -0.15 -2.68 0.17 0.00 0.00 0.00 0.00 36.38 33.72 1ozt s VAL 97 CO 0.08 0.54 0.52 -0.55 0.00 0.00 0.00 175.10 175.69 1ozt s SER 98 N -0.19 -0.77 0.07 3.32 0.15 -1.25 -1.60 113.70 113.43 1ozt s SER 98 Ca 0.04 0.65 -0.01 0.00 0.70 0.00 0.00 55.95 57.33 1ozt s SER 98 Cb -0.13 1.77 -0.04 0.00 -1.71 0.00 0.00 66.02 65.92 1ozt s SER 98 CO 0.02 -0.27 -0.02 -0.63 1.20 0.00 0.00 173.24 173.54 1ozt s ILE 99 N 2.74 0.24 -0.05 6.45 1.01 0.08 -5.01 121.20 126.66 1ozt s ILE 99 Ca 0.17 -1.84 -0.02 0.00 0.00 0.00 0.00 60.65 58.97 1ozt s ILE 99 Cb -0.15 -1.63 0.03 0.00 0.01 0.00 0.00 42.46 40.72 1ozt s ILE 99 CO -0.19 -0.89 0.04 -0.70 0.00 0.00 0.00 174.94 173.20 1ozt s GLU 100 N -3.94 0.11 -0.01 2.79 2.12 -1.26 -1.37 118.70 117.14 1ozt s GLU 100 Ca 0.11 0.29 0.03 0.00 0.36 0.00 0.00 54.97 55.75 1ozt s GLU 100 Cb 0.08 -0.60 -0.01 0.00 0.26 0.00 0.00 34.13 33.86 1ozt s GLU 100 CO -0.07 -0.30 -0.11 0.34 -0.54 0.00 0.00 175.26 174.58 1ozt s ASP 101 N 1.98 1.32 -0.09 -1.70 -1.08 -0.54 -4.96 116.67 111.61 1ozt s ASP 101 Ca 0.03 -0.20 0.13 0.00 -0.52 0.00 0.00 52.55 51.99 1ozt s ASP 101 Cb -0.12 -0.21 0.39 0.00 -1.46 0.00 0.00 42.92 41.51 1ozt s ASP 101 CO -0.03 0.12 1.31 -1.54 0.52 0.00 0.00 175.17 175.54 1ozt n SER 102 N 2.95 3.28 -0.13 -0.34 3.41 -1.26 -0.39 113.62 121.13 1ozt n SER 102 Ca -0.15 -2.52 -0.27 0.00 -0.26 0.00 0.00 58.87 55.67 1ozt n SER 102 Cb 0.55 -0.37 -0.11 0.00 -0.26 0.00 0.00 64.21 64.03 1ozt n SER 102 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1ozt n VAL 103 N -0.12 1.53 -1.25 -3.33 0.31 -1.26 -4.92 118.33 109.30 1ozt n VAL 103 Ca 0.16 -0.38 -0.31 0.00 -0.01 0.00 0.00 64.34 63.79 1ozt n VAL 103 Cb 0.64 -1.82 0.09 0.00 -0.91 0.00 0.00 33.84 31.84 1ozt n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1ozt s ILE 104 N -2.50 3.28 0.10 2.52 -4.36 -1.26 -4.85 121.20 114.13 1ozt s ILE 104 Ca -0.37 0.42 -0.10 0.00 -0.26 0.00 0.00 60.65 60.34 1ozt s ILE 104 Cb 0.13 -2.89 0.00 0.00 1.25 0.00 0.00 42.46 40.95 1ozt s ILE 104 CO 0.52 -0.54 0.23 -0.55 0.24 0.00 0.00 174.94 174.85 1ozt s SER 105 N -3.35 0.06 -0.01 4.36 0.15 -0.92 -4.68 113.70 109.31 1ozt s SER 105 Ca 0.61 -0.64 0.22 0.00 0.70 0.00 0.00 55.95 56.84 1ozt s SER 105 Cb -0.17 0.37 0.64 0.00 -1.71 0.00 0.00 66.02 65.15 1ozt s SER 105 CO 0.56 -0.77 1.54 0.18 1.20 0.00 0.00 173.24 175.94 1ozt n LEU 106 N -0.11 3.92 -3.77 3.45 4.77 -1.26 -0.89 117.00 123.11 1ozt n LEU 106 Ca -0.14 -1.96 -0.07 0.00 -0.03 0.00 0.00 56.01 53.80 1ozt n LEU 106 Cb 0.63 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 1ozt n LEU 106 CO 0.22 0.94 0.49 -0.94 -1.33 0.00 0.00 177.39 176.77 1ozt s SER 107 N -0.99 -0.30 0.22 -1.43 1.04 -1.26 -4.82 113.70 106.15 1ozt s SER 107 Ca 0.48 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.44 1ozt s SER 107 Cb 0.26 0.67 0.00 0.00 0.10 0.00 0.00 66.02 67.05 1ozt s SER 107 CO 0.32 -1.22 0.00 0.61 0.98 0.00 0.00 173.24 173.92 1ozt n GLY 108 N -0.44 -1.39 0.30 7.32 0.00 -1.26 -3.23 105.19 106.50 1ozt n GLY 108 Ca -0.06 -1.27 0.15 0.00 0.00 0.00 0.00 46.02 44.84 1ozt n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ozt h ASP 109 N 0.00 0.00 -0.62 1.61 3.32 -2.01 -1.84 116.42 116.89 1ozt h ASP 109 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ozt h ASP 109 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ozt h ASP 109 CO 0.00 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.93 1ozt n HIS 110 N -3.93 1.34 -1.68 4.55 8.25 -1.26 -4.94 115.22 117.55 1ozt n HIS 110 Ca -0.02 -0.60 -0.47 0.00 -0.26 0.00 0.00 57.72 56.37 1ozt n HIS 110 Cb 0.15 -0.20 -0.04 0.00 1.12 0.00 0.00 29.99 31.02 1ozt n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ozt n ILE 112 N 4.42 0.91 -2.59 0.00 -5.35 -0.07 -4.92 119.36 111.77 1ozt n ILE 112 Ca 0.20 -0.96 -0.41 0.00 -0.27 0.00 0.00 62.75 61.31 1ozt n ILE 112 Cb 0.30 0.58 -0.04 0.00 -1.74 0.00 0.00 39.64 38.74 1ozt n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1ozt s ILE 113 N -1.06 4.21 0.00 7.28 1.01 -1.26 -2.34 121.20 129.03 1ozt s ILE 113 Ca 0.41 1.78 0.00 0.00 0.00 0.00 0.00 60.65 62.84 1ozt s ILE 113 Cb 0.22 -4.14 0.00 0.00 0.01 0.00 0.00 42.46 38.55 1ozt s ILE 113 CO 0.29 0.24 0.00 0.61 0.00 0.00 0.00 174.94 176.08 1ozt n GLY 114 N 2.43 0.73 3.96 6.18 0.00 0.09 -5.01 105.19 113.57 1ozt n GLY 114 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 1ozt n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ozt s ARG 115 N -0.69 2.26 -0.08 1.61 0.52 -0.99 -2.71 118.95 118.88 1ozt s ARG 115 Ca 0.00 -1.87 0.00 0.00 -0.52 0.00 0.00 55.73 53.34 1ozt s ARG 115 Cb 0.00 -2.33 -0.03 0.00 0.52 0.00 0.00 34.95 33.11 1ozt s ARG 115 CO 0.00 -0.74 -0.06 0.99 0.02 0.00 0.00 175.30 175.51 1ozt s THR 116 N -2.74 3.80 -0.15 0.02 2.01 -1.10 -0.47 115.64 117.02 1ozt s THR 116 Ca 0.46 -0.44 -0.08 0.00 0.31 0.00 0.00 61.69 61.94 1ozt s THR 116 Cb -0.04 -2.57 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 1ozt s THR 116 CO 0.29 0.59 0.13 -0.22 -0.69 0.00 0.00 174.62 174.72 1ozt s LEU 117 N -0.71 4.29 -0.00 4.42 2.96 -0.53 0.55 118.68 129.66 1ozt s LEU 117 Ca 0.11 0.36 0.03 0.00 -0.22 0.00 0.00 54.13 54.41 1ozt s LEU 117 Cb -0.11 -2.07 -0.01 0.00 0.50 0.00 0.00 46.19 44.50 1ozt s LEU 117 CO 0.02 0.32 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.57 1ozt s VAL 118 N -0.47 0.79 -0.17 1.68 1.01 0.21 -2.55 120.40 120.90 1ozt s VAL 118 Ca 0.12 -0.50 -0.02 0.00 0.00 0.00 0.00 61.98 61.59 1ozt s VAL 118 Cb -0.12 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.58 1ozt s VAL 118 CO 0.02 0.17 -0.09 0.54 0.00 0.00 0.00 175.10 175.74 1ozt s VAL 119 N -0.33 3.23 0.29 2.92 0.11 -0.77 -1.24 120.40 124.62 1ozt s VAL 119 Ca 0.03 -0.57 -0.02 0.00 -2.93 0.00 0.00 61.98 58.48 1ozt s VAL 119 Cb -0.04 -2.41 -0.04 0.00 -1.53 0.00 0.00 36.38 32.36 1ozt s VAL 119 CO -0.00 0.49 0.52 -1.00 -3.33 0.00 0.00 175.10 171.77 1ozt s HIS 120 N 0.78 3.49 0.15 1.54 3.76 0.15 -1.37 115.29 123.79 1ozt s HIS 120 Ca -0.04 0.47 -0.17 0.00 -0.15 0.00 0.00 55.06 55.18 1ozt s HIS 120 Cb -0.15 -1.98 0.02 0.00 1.11 0.00 0.00 32.58 31.59 1ozt s HIS 120 CO 0.01 0.20 1.79 1.49 -0.85 0.00 0.00 174.74 177.38 1ozt h GLU 121 N 1.43 0.40 -6.20 1.40 4.81 -0.66 -3.32 114.58 112.45 1ozt h GLU 121 Ca -0.48 -0.02 -0.50 0.00 -0.13 0.00 0.00 59.36 58.22 1ozt h GLU 121 Cb 1.20 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.44 1ozt h GLU 121 CO 0.65 0.26 -0.52 0.15 -0.73 0.00 0.00 179.01 178.82 1ozt s LYS 122 N -6.16 2.95 0.74 1.92 1.02 -1.26 -4.83 119.74 114.12 1ozt s LYS 122 Ca -0.13 -1.04 -0.13 0.00 0.02 0.00 0.00 55.97 54.68 1ozt s LYS 122 Cb 0.11 -2.58 0.04 0.00 -0.52 0.00 0.00 37.83 34.89 1ozt s LYS 122 CO 0.71 0.40 1.14 0.00 -0.92 0.00 0.00 175.35 176.69 1ozt s ALA 123 N -2.12 2.19 -0.11 5.17 0.00 -1.16 -0.97 121.76 124.75 1ozt s ALA 123 Ca 0.33 0.59 -0.14 0.00 0.00 0.00 0.00 51.96 52.74 1ozt s ALA 123 Cb -0.08 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.62 1ozt s ALA 123 CO 0.25 -1.75 0.34 0.34 0.00 0.00 0.00 175.76 174.93 1ozt s ASP 124 N -2.60 6.56 0.23 0.00 -1.08 -1.26 -4.65 116.67 113.88 1ozt s ASP 124 Ca 0.68 0.67 -0.07 0.00 -0.52 0.00 0.00 52.55 53.31 1ozt s ASP 124 Cb -0.23 -2.20 0.41 0.00 -1.46 0.00 0.00 42.92 39.44 1ozt s ASP 124 CO 0.48 0.17 1.69 -0.78 0.52 0.00 0.00 175.17 177.25 1ozt h ASP 125 N 6.01 0.00 0.00 -0.34 3.58 -1.96 -3.46 116.42 120.25 1ozt h ASP 125 Ca -0.45 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.13 1ozt h ASP 125 Cb 1.19 0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.42 1ozt h ASP 125 CO 0.70 -0.02 0.00 0.18 -2.88 0.00 0.00 179.24 177.22 1ozt n LEU 126 N -5.15 0.35 -0.47 2.28 4.77 -1.26 -2.76 117.00 114.76 1ozt n LEU 126 Ca 0.12 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 56.04 1ozt n LEU 126 Cb 0.41 -1.09 -0.03 0.00 -2.33 0.00 0.00 43.42 40.39 1ozt n LEU 126 CO 0.14 -0.32 -0.06 0.61 -1.33 0.00 0.00 177.39 176.43 1ozt n GLY 127 N -1.67 0.81 1.83 -0.72 0.00 -1.26 -4.85 105.19 99.33 1ozt n GLY 127 Ca 0.00 -0.35 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 1ozt n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ozt n LYS 128 N -2.08 2.37 0.07 1.61 4.76 -1.11 -4.77 118.16 119.00 1ozt n LYS 128 Ca -0.06 -3.60 0.13 0.00 -2.87 0.00 0.00 58.31 51.90 1ozt n LYS 128 Cb 0.29 -1.74 0.47 0.00 -1.84 0.00 0.00 35.03 32.21 1ozt n LYS 128 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ozt n GLY 129 N -0.65 -1.51 0.00 0.72 0.00 -1.25 -4.93 105.19 97.57 1ozt n GLY 129 Ca 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1ozt n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ozt n GLY 130 N 1.04 3.36 3.50 -0.02 0.00 -1.26 -5.05 105.19 106.76 1ozt n GLY 130 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1ozt n GLY 130 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ozt s ASN 131 N -0.85 4.73 0.00 1.61 2.47 -1.26 -5.27 114.94 116.37 1ozt s ASN 131 Ca 0.00 -0.12 0.00 0.00 0.42 0.00 0.00 52.86 53.16 1ozt s ASN 131 Cb 0.00 -1.70 0.00 0.00 -1.45 0.00 0.00 41.25 38.10 1ozt s ASN 131 CO 0.00 0.20 0.13 -1.84 -3.72 0.00 0.00 177.10 171.87 1ozt n GLU 132 N 3.35 0.00 0.00 0.43 -0.00 -1.26 -5.03 120.64 118.13 1ozt n GLU 132 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 1ozt n GLU 132 Cb 0.53 -0.70 0.00 0.00 -0.00 0.00 0.00 31.44 31.27 1ozt n GLU 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ozt n ALA 140 N -0.32 0.00 0.00 -1.84 0.00 -1.26 -5.21 120.51 111.88 1ozt n ALA 140 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ozt n ALA 140 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.58 1ozt n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ozt n GLY 141 N 0.00 1.98 3.69 0.00 0.00 -1.26 -4.84 105.19 104.75 1ozt n GLY 141 Ca 0.00 -1.93 -0.23 0.00 0.00 0.00 0.00 46.02 43.86 1ozt n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ozt s SER 142 N 0.00 4.63 -0.45 1.61 1.04 -1.26 -4.91 113.70 114.35 1ozt s SER 142 Ca 0.00 -0.71 -0.24 0.00 0.48 0.00 0.00 55.95 55.48 1ozt s SER 142 Cb 0.00 -0.80 0.03 0.00 0.10 0.00 0.00 66.02 65.35 1ozt s SER 142 CO 0.00 -0.15 0.86 -0.13 0.98 0.00 0.00 173.24 174.80 1ozt s ARG 143 N -3.76 3.49 0.07 4.02 0.52 -1.26 0.10 118.95 122.13 1ozt s ARG 143 Ca 0.34 0.06 -0.15 0.00 -0.52 0.00 0.00 55.73 55.47 1ozt s ARG 143 Cb -0.04 -3.93 -0.21 0.00 0.52 0.00 0.00 34.95 31.29 1ozt s ARG 143 CO 0.21 -1.17 1.21 -0.07 0.02 0.00 0.00 175.30 175.51 1ozt h LEU 144 N 10.36 0.86 -7.00 2.53 3.38 -1.53 -3.47 115.31 120.44 1ozt h LEU 144 Ca -0.24 -0.70 -0.00 0.00 0.09 0.00 0.00 57.88 57.02 1ozt h LEU 144 Cb 1.08 -0.26 -0.13 0.00 0.09 0.00 0.00 40.66 41.44 1ozt h LEU 144 CO 1.00 1.44 0.26 0.00 0.09 0.00 0.00 178.44 181.23 1ozt s ALA 145 N -3.46 -1.66 0.31 1.53 0.00 -1.20 -4.13 121.76 113.15 1ozt s ALA 145 Ca -0.11 0.67 -0.19 0.00 0.00 0.00 0.00 51.96 52.33 1ozt s ALA 145 Cb 0.07 0.70 0.04 0.00 0.00 0.00 0.00 23.12 23.93 1ozt s ALA 145 CO 0.90 -0.71 0.78 0.00 0.00 0.00 0.00 175.76 176.72 1ozt s GLY 147 N -2.99 -0.46 0.22 0.00 0.00 -1.06 -1.08 107.32 101.95 1ozt s GLY 147 Ca 0.13 1.14 -0.24 0.00 0.00 0.00 0.00 44.72 45.75 1ozt s GLY 147 CO 0.08 0.48 0.81 0.14 0.00 0.00 0.00 173.10 174.61 1ozt s VAL 148 N -2.72 4.36 -0.43 1.40 1.01 -1.26 -1.45 120.40 121.32 1ozt s VAL 148 Ca 0.02 1.65 -0.25 0.00 0.00 0.00 0.00 61.98 63.40 1ozt s VAL 148 Cb -0.01 -4.05 0.02 0.00 0.00 0.00 0.00 36.38 32.34 1ozt s VAL 148 CO -0.06 0.35 0.87 -0.63 0.00 0.00 0.00 175.10 175.63 1ozt s ILE 149 N -1.36 4.57 0.26 2.22 1.01 0.38 -4.48 121.20 123.81 1ozt s ILE 149 Ca 0.41 0.76 0.08 0.00 0.00 0.00 0.00 60.65 61.90 1ozt s ILE 149 Cb -0.21 -4.35 -0.04 0.00 0.01 0.00 0.00 42.46 37.87 1ozt s ILE 149 CO 0.25 -0.70 0.12 -0.83 0.00 0.00 0.00 174.94 173.78 1ozt s GLY 150 N 2.11 1.50 0.10 6.18 0.00 -0.16 -0.73 107.32 116.31 1ozt s GLY 150 Ca 0.35 -1.50 -0.31 0.00 0.00 0.00 0.00 44.72 43.25 1ozt s GLY 150 CO 0.23 -1.55 1.52 -0.42 0.00 0.00 0.00 173.10 172.88 1ozt s ILE 151 N -2.20 3.09 0.33 0.90 1.01 -1.26 -0.52 121.20 122.55 1ozt s ILE 151 Ca 0.32 0.68 0.08 0.00 0.00 0.00 0.00 60.65 61.73 1ozt s ILE 151 Cb -0.07 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 1ozt s ILE 151 CO 0.23 0.03 0.18 0.00 0.00 0.00 0.00 174.94 175.38 1ozt s ALA 152 N 1.80 3.59 -2.00 9.38 0.00 -0.82 -4.78 121.76 128.93 1ozt s ALA 152 Ca 0.69 -1.73 0.31 0.00 0.00 0.00 0.00 51.96 51.23 1ozt s ALA 152 Cb -0.39 -0.92 1.88 0.00 0.00 0.00 0.00 23.12 23.69 1ozt s ALA 152 CO 0.31 0.06 2.20 0.94 0.00 0.00 0.00 175.76 179.26