#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 4.21 0.09 0.00 2.01 -1.04 -4.88 115.64 116.04 1ozt s THR 2 Ca 0.00 1.04 0.02 0.00 0.31 0.00 0.00 61.69 63.06 1ozt s THR 2 Cb 0.00 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.90 1ozt s THR 2 CO 0.00 -0.63 -0.07 -0.54 -0.69 0.00 0.00 174.62 172.70 1ozt s LYS 3 N -4.12 0.78 0.17 4.92 1.02 -1.26 -1.61 119.74 119.64 1ozt s LYS 3 Ca 0.61 -1.23 -0.15 0.00 0.02 0.00 0.00 55.97 55.21 1ozt s LYS 3 Cb -0.13 -0.23 0.02 0.00 -0.52 0.00 0.00 37.83 36.98 1ozt s LYS 3 CO 0.35 -0.00 0.44 0.00 -0.92 0.00 0.00 175.35 175.21 1ozt s ALA 4 N -3.22 -0.73 0.14 5.17 0.00 -0.74 -1.77 121.76 120.61 1ozt s ALA 4 Ca 0.08 -0.32 -0.11 0.00 0.00 0.00 0.00 51.96 51.61 1ozt s ALA 4 Cb 0.02 0.80 0.01 0.00 0.00 0.00 0.00 23.12 23.95 1ozt s ALA 4 CO -0.04 -0.72 0.31 0.54 0.00 0.00 0.00 175.76 175.85 1ozt s VAL 5 N -3.87 0.08 -0.15 0.00 0.11 0.64 -0.58 120.40 116.63 1ozt s VAL 5 Ca 0.09 -1.11 -0.08 0.00 -2.93 0.00 0.00 61.98 57.94 1ozt s VAL 5 Cb 0.01 -1.55 0.05 0.00 -1.53 0.00 0.00 36.38 33.36 1ozt s VAL 5 CO -0.05 -0.38 0.36 0.00 -3.33 0.00 0.00 175.10 171.70 1ozt s VAL 7 N 1.30 4.70 -0.15 0.00 1.01 -1.26 -1.54 120.40 124.46 1ozt s VAL 7 Ca -0.09 -0.04 -0.14 0.00 0.00 0.00 0.00 61.98 61.70 1ozt s VAL 7 Cb -0.09 -3.19 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 1ozt s VAL 7 CO -0.11 0.35 0.31 -0.76 0.00 0.00 0.00 175.10 174.89 1ozt s LEU 8 N 1.28 4.26 0.07 3.92 2.01 0.12 -3.76 118.68 126.59 1ozt s LEU 8 Ca 0.05 0.55 -0.08 0.00 0.01 0.00 0.00 54.13 54.67 1ozt s LEU 8 Cb -0.15 -2.40 -0.00 0.00 0.01 0.00 0.00 46.19 43.65 1ozt s LEU 8 CO 0.05 0.11 0.17 -0.54 1.01 0.00 0.00 176.35 177.14 1ozt s LYS 9 N 0.38 0.79 0.00 1.70 1.02 0.05 -2.46 119.74 121.22 1ozt s LYS 9 Ca 0.18 -0.91 0.00 0.00 0.02 0.00 0.00 55.97 55.25 1ozt s LYS 9 Cb -0.13 0.32 0.00 0.00 -0.52 0.00 0.00 37.83 37.50 1ozt s LYS 9 CO 0.05 -0.24 0.00 0.41 -0.92 0.00 0.00 175.35 174.65 1ozt n GLY 10 N 0.12 3.45 0.10 -3.33 0.00 -1.25 -0.40 105.19 103.88 1ozt n GLY 10 Ca -0.16 -0.98 0.12 0.00 0.00 0.00 0.00 46.02 45.00 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 0.00 0.00 -1.08 1.61 3.32 -1.92 -3.47 116.42 114.88 1ozt h ASP 11 Ca 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1ozt h ASP 11 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ozt h ASP 11 CO 0.00 0.05 0.00 0.61 -1.72 0.00 0.00 179.24 178.18 1ozt n GLY 12 N 1.27 1.98 0.18 2.75 0.00 -1.26 -5.02 105.19 105.09 1ozt n GLY 12 Ca 0.03 -1.98 0.14 0.00 0.00 0.00 0.00 46.02 44.21 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 0.78 -2.25 1.61 -0.04 -1.26 -4.91 135.00 128.92 1ozt n PRO 13 Ca 0.00 -0.36 -0.42 0.00 -0.04 0.00 0.00 63.50 62.68 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 -2.47 3.78 -0.01 0.52 1.01 -1.26 -4.33 120.40 117.65 1ozt s VAL 14 Ca 0.27 1.16 -0.29 0.00 0.00 0.00 0.00 61.98 63.12 1ozt s VAL 14 Cb 0.20 -3.75 0.07 0.00 0.00 0.00 0.00 36.38 32.90 1ozt s VAL 14 CO 0.49 -0.00 0.65 0.00 0.00 0.00 0.00 175.10 176.23 1ozt s GLN 15 N 2.38 1.08 0.02 2.72 -2.07 -0.51 -3.84 119.66 119.44 1ozt s GLN 15 Ca 0.63 0.11 -0.14 0.00 -1.82 0.00 0.00 55.36 54.14 1ozt s GLN 15 Cb -0.30 0.50 0.05 0.00 -1.09 0.00 0.00 33.01 32.17 1ozt s GLN 15 CO 0.26 -0.36 0.65 0.41 -1.32 0.00 0.00 175.29 174.92 1ozt n GLY 16 N 0.71 0.56 2.81 2.60 0.00 -1.03 -0.14 105.19 110.70 1ozt n GLY 16 Ca -0.19 -0.97 -0.18 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.14 0.20 0.02 -0.61 1.01 -0.90 -0.70 121.20 118.08 1ozt s ILE 17 Ca 0.15 0.10 0.09 0.00 0.00 0.00 0.00 60.65 60.98 1ozt s ILE 17 Cb -0.01 -0.31 -0.03 0.00 0.01 0.00 0.00 42.46 42.13 1ozt s ILE 17 CO 0.01 0.16 -0.25 -0.63 0.00 0.00 0.00 174.94 174.23 1ozt s ILE 18 N 1.17 2.03 0.14 2.92 -1.09 -0.59 -2.36 121.20 123.42 1ozt s ILE 18 Ca -0.08 -1.26 0.11 0.00 -2.23 0.00 0.00 60.65 57.20 1ozt s ILE 18 Cb -0.13 -1.72 -0.04 0.00 -1.58 0.00 0.00 42.46 38.99 1ozt s ILE 18 CO -0.02 0.41 -0.26 0.20 -1.23 0.00 0.00 174.94 174.04 1ozt s ASN 19 N -1.01 3.34 0.05 3.58 0.01 0.14 -1.07 114.94 119.99 1ozt s ASN 19 Ca 0.11 -0.77 0.05 0.00 -0.71 0.00 0.00 52.86 51.54 1ozt s ASN 19 Cb -0.10 -0.23 -0.02 0.00 0.41 0.00 0.00 41.25 41.31 1ozt s ASN 19 CO 0.01 0.17 -0.15 -0.36 -1.51 0.00 0.00 177.10 175.26 1ozt s PHE 20 N -1.16 1.28 -0.15 2.20 0.40 0.26 -1.29 117.98 119.52 1ozt s PHE 20 Ca 0.15 -0.39 -0.07 0.00 -0.60 0.00 0.00 56.93 56.02 1ozt s PHE 20 Cb -0.10 -0.74 0.06 0.00 0.51 0.00 0.00 43.02 42.75 1ozt s PHE 20 CO 0.07 0.05 0.34 -2.00 0.70 0.00 0.00 175.22 174.38 1ozt s GLU 21 N -1.37 0.30 -0.35 0.44 2.12 -0.15 -1.79 118.70 117.89 1ozt s GLU 21 Ca 0.01 0.72 0.00 0.00 0.36 0.00 0.00 54.97 56.06 1ozt s GLU 21 Cb -0.09 -0.02 0.11 0.00 0.26 0.00 0.00 34.13 34.39 1ozt s GLU 21 CO 0.02 -0.18 0.14 -1.14 -0.54 0.00 0.00 175.26 173.56 1ozt s GLN 22 N 1.57 0.87 0.54 4.30 0.74 -0.63 -0.03 119.66 127.01 1ozt s GLN 22 Ca -0.08 -1.36 0.30 0.00 0.05 0.00 0.00 55.36 54.27 1ozt s GLN 22 Cb -0.10 -2.05 1.52 0.00 1.10 0.00 0.00 33.01 33.48 1ozt s GLN 22 CO -0.11 -1.05 2.08 0.87 -0.55 0.00 0.00 175.29 176.53 1ozt h LYS 23 N 7.63 0.00 -4.41 1.67 1.57 -1.81 -2.75 116.57 118.47 1ozt h LYS 23 Ca -0.09 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.32 1ozt h LYS 23 Cb 0.99 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 33.00 1ozt h LYS 23 CO 0.46 0.10 -0.77 -1.21 -0.57 0.00 0.00 179.45 177.46 1ozt s GLU 24 N -4.10 0.64 0.26 3.15 2.02 -1.26 -3.47 118.70 115.94 1ozt s GLU 24 Ca -0.02 -0.22 0.02 0.00 0.02 0.00 0.00 54.97 54.76 1ozt s GLU 24 Cb 0.12 -0.62 0.66 0.00 0.10 0.00 0.00 34.13 34.39 1ozt s GLU 24 CO 0.56 0.10 1.32 0.45 0.02 0.00 0.00 175.26 177.72 1ozt n SER 25 N 3.16 -0.09 -0.91 -0.19 2.88 -1.26 0.19 113.62 117.39 1ozt n SER 25 Ca -0.16 1.43 0.08 0.00 -1.33 0.00 0.00 58.87 58.89 1ozt n SER 25 Cb 0.56 -0.53 0.25 0.00 -0.75 0.00 0.00 64.21 63.75 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 -5.20 3.85 -4.17 -3.46 6.94 -1.26 -4.89 115.26 107.06 1ozt n ASN 26 Ca 0.20 -2.86 -0.18 0.00 -0.02 0.00 0.00 54.58 51.72 1ozt n ASN 26 Cb 0.66 -0.51 0.08 0.00 -2.36 0.00 0.00 39.78 37.66 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 -0.29 1.08 3.79 4.83 0.00 0.13 -5.09 105.19 109.64 1ozt n GLY 27 Ca 0.20 -2.08 -0.30 0.00 0.00 0.00 0.00 46.02 43.84 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 -4.46 2.21 -0.15 1.61 0.02 -1.26 -4.88 135.00 128.09 1ozt s PRO 28 Ca 0.53 0.78 -0.01 0.00 0.02 0.00 0.00 61.00 62.32 1ozt s PRO 28 Cb -0.03 -1.92 -0.01 0.00 0.02 0.00 0.00 34.50 32.56 1ozt s PRO 28 CO 0.34 -1.57 -0.12 0.08 -0.33 0.00 0.00 177.00 175.40 1ozt s VAL 29 N -3.08 3.00 -0.06 3.83 1.01 0.64 -4.39 120.40 121.35 1ozt s VAL 29 Ca 0.60 -0.66 -0.18 0.00 0.00 0.00 0.00 61.98 61.75 1ozt s VAL 29 Cb -0.15 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 1ozt s VAL 29 CO 0.55 0.50 0.48 -0.54 0.00 0.00 0.00 175.10 176.09 1ozt s LYS 30 N 0.69 4.23 -0.06 2.72 1.02 0.96 -1.28 119.74 128.01 1ozt s LYS 30 Ca -0.06 0.49 0.02 0.00 0.02 0.00 0.00 55.97 56.45 1ozt s LYS 30 Cb -0.15 -3.36 0.01 0.00 -0.52 0.00 0.00 37.83 33.81 1ozt s LYS 30 CO 0.02 0.35 -0.12 0.54 -0.92 0.00 0.00 175.35 175.22 1ozt s VAL 31 N -0.02 1.13 0.17 3.17 0.11 -0.86 -0.98 120.40 123.11 1ozt s VAL 31 Ca 0.26 -0.48 -0.14 0.00 -2.93 0.00 0.00 61.98 58.69 1ozt s VAL 31 Cb -0.16 -1.03 0.02 0.00 -1.53 0.00 0.00 36.38 33.68 1ozt s VAL 31 CO 0.12 0.35 0.41 -1.66 -3.33 0.00 0.00 175.10 171.00 1ozt s TRP 32 N 0.63 0.02 -5.00 1.54 -2.14 -0.41 -1.14 118.94 112.45 1ozt s TRP 32 Ca -0.14 -0.37 0.00 0.00 2.66 0.00 0.00 56.10 58.25 1ozt s TRP 32 Cb -0.15 0.22 0.00 0.00 -3.10 0.00 0.00 33.47 30.43 1ozt s TRP 32 CO 0.04 -0.80 0.00 0.41 -2.66 0.00 0.00 176.95 173.94 1ozt n GLY 33 N -0.27 0.27 3.32 3.67 0.00 -0.67 0.28 105.19 111.78 1ozt n GLY 33 Ca -0.11 -1.37 -0.12 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.27 -0.02 1.61 1.04 -0.99 0.39 113.70 111.45 1ozt s SER 34 Ca 0.00 -0.12 0.04 0.00 0.48 0.00 0.00 55.95 56.35 1ozt s SER 34 Cb 0.00 0.44 -0.01 0.00 0.10 0.00 0.00 66.02 66.56 1ozt s SER 34 CO 0.00 -0.74 -0.14 -0.63 0.98 0.00 0.00 173.24 172.72 1ozt s ILE 35 N -2.99 1.12 0.32 -1.02 1.01 -0.32 -2.12 121.20 117.20 1ozt s ILE 35 Ca -0.02 -0.57 0.06 0.00 0.00 0.00 0.00 60.65 60.11 1ozt s ILE 35 Cb 0.00 -0.96 -0.06 0.00 0.01 0.00 0.00 42.46 41.45 1ozt s ILE 35 CO -0.06 0.33 -0.01 -1.59 0.00 0.00 0.00 174.94 173.60 1ozt s LYS 36 N -0.09 1.65 0.00 2.79 -2.85 0.80 -0.01 119.74 122.03 1ozt s LYS 36 Ca 0.01 -1.88 0.00 0.00 -1.00 0.00 0.00 55.97 53.10 1ozt s LYS 36 Cb -0.08 -1.15 0.00 0.00 -2.06 0.00 0.00 37.83 34.54 1ozt s LYS 36 CO 0.00 -0.05 0.00 0.41 0.10 0.00 0.00 175.35 175.82 1ozt n GLY 37 N -0.68 0.62 3.89 0.59 0.00 -0.78 -1.42 105.19 107.41 1ozt n GLY 37 Ca -0.04 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 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 4.09 0.39 0.99 1.02 -0.37 -4.24 118.68 120.55 1ozt s LEU 38 Ca 0.00 0.81 -0.23 0.00 0.02 0.00 0.00 54.13 54.73 1ozt s LEU 38 Cb 0.00 -3.61 -0.10 0.00 0.02 0.00 0.00 46.19 42.50 1ozt s LEU 38 CO 0.00 -0.16 0.98 0.42 0.02 0.00 0.00 176.35 177.61 1ozt s THR 39 N -2.00 4.13 0.24 5.49 -4.23 -1.26 -3.91 115.64 114.10 1ozt s THR 39 Ca 0.45 1.54 -0.31 0.00 -1.18 0.00 0.00 61.69 62.20 1ozt s THR 39 Cb -0.11 -3.75 -0.13 0.00 1.34 0.00 0.00 72.50 69.84 1ozt s THR 39 CO 0.27 -0.08 1.38 1.21 -0.54 0.00 0.00 174.62 176.87 1ozt n GLU 40 N -0.11 1.99 0.00 3.99 2.13 -1.26 -4.62 120.64 122.77 1ozt n GLU 40 Ca 0.05 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.58 1ozt n GLU 40 Cb 0.51 -2.35 0.00 0.00 0.27 0.00 0.00 31.44 29.88 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 2.04 0.48 3.75 8.31 0.00 0.83 -4.90 105.19 115.70 1ozt n GLY 41 Ca 0.11 -2.20 -0.40 0.00 0.00 0.00 0.00 46.02 43.53 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 4.57 -0.02 0.99 1.02 -1.26 0.23 118.68 124.21 1ozt s LEU 42 Ca 0.00 1.76 -0.00 0.00 0.02 0.00 0.00 54.13 55.91 1ozt s LEU 42 Cb 0.00 -3.46 0.03 0.00 0.02 0.00 0.00 46.19 42.78 1ozt s LEU 42 CO 0.00 0.10 0.03 -1.00 0.02 0.00 0.00 176.35 175.51 1ozt s HIS 43 N -0.75 0.03 0.48 0.29 3.76 -0.12 -2.88 115.29 116.10 1ozt s HIS 43 Ca 0.40 0.14 -0.23 0.00 -0.15 0.00 0.00 55.06 55.23 1ozt s HIS 43 Cb -0.24 -0.25 -0.08 0.00 1.11 0.00 0.00 32.58 33.12 1ozt s HIS 43 CO 0.29 -0.10 1.25 0.41 -0.85 0.00 0.00 174.74 175.73 1ozt n GLY 44 N 4.26 0.47 2.69 -2.22 0.00 0.29 -0.83 105.19 109.84 1ozt n GLY 44 Ca -0.26 0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.27 1.03 0.09 1.61 5.36 -0.48 -0.04 117.98 124.27 1ozt s PHE 45 Ca 0.66 -1.09 0.00 0.00 -0.96 0.00 0.00 56.93 55.54 1ozt s PHE 45 Cb -0.47 -1.18 -0.04 0.00 -0.34 0.00 0.00 43.02 40.99 1ozt s PHE 45 CO 0.54 -0.73 -0.03 1.03 -1.46 0.00 0.00 175.22 174.57 1ozt s ARG 46 N 1.86 0.78 -0.22 10.12 0.52 -0.67 -1.81 118.95 129.52 1ozt s ARG 46 Ca 0.05 -1.32 -0.08 0.00 -0.52 0.00 0.00 55.73 53.85 1ozt s ARG 46 Cb -0.17 0.02 -0.04 0.00 0.52 0.00 0.00 34.95 35.28 1ozt s ARG 46 CO -0.19 -0.10 0.10 0.08 0.02 0.00 0.00 175.30 175.21 1ozt s VAL 47 N -3.81 4.88 0.24 3.52 1.01 0.03 0.02 120.40 126.29 1ozt s VAL 47 Ca 0.13 0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.17 1ozt s VAL 47 Cb 0.07 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 1ozt s VAL 47 CO -0.05 0.39 0.31 -1.00 0.00 0.00 0.00 175.10 174.75 1ozt s HIS 48 N 0.90 3.34 0.27 5.22 0.09 0.19 -1.69 115.29 123.61 1ozt s HIS 48 Ca 0.05 -0.05 -0.01 0.00 -0.00 0.00 0.00 55.06 55.05 1ozt s HIS 48 Cb -0.13 -1.52 0.48 0.00 -0.00 0.00 0.00 32.58 31.41 1ozt s HIS 48 CO 0.03 0.47 1.83 1.49 -0.00 0.00 0.00 174.74 178.55 1ozt h GLU 49 N 1.27 0.89 -5.85 1.40 4.81 -1.02 -2.92 114.58 113.16 1ozt h GLU 49 Ca -0.51 -0.05 -0.67 0.00 -0.13 0.00 0.00 59.36 58.00 1ozt h GLU 49 Cb 1.23 -0.20 -0.21 0.00 0.63 0.00 0.00 28.75 30.20 1ozt h GLU 49 CO 0.61 0.59 -0.70 -0.06 -0.73 0.00 0.00 179.01 178.72 1ozt s PHE 50 N -5.99 2.94 -0.34 0.92 0.08 0.24 -4.69 117.98 111.13 1ozt s PHE 50 Ca -0.12 -0.14 -0.04 0.00 0.12 0.00 0.00 56.93 56.75 1ozt s PHE 50 Cb 0.21 -1.78 -0.02 0.00 -0.57 0.00 0.00 43.02 40.86 1ozt s PHE 50 CO 0.80 0.18 2.97 0.41 -0.10 0.00 0.00 175.22 179.47 1ozt n GLY 51 N 2.69 4.01 3.25 4.36 0.00 -0.98 -3.46 105.19 115.05 1ozt n GLY 51 Ca -0.18 -1.70 -0.36 0.00 0.00 0.00 0.00 46.02 43.78 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 0.76 4.69 -0.14 1.61 -1.08 -1.26 -4.94 116.67 116.31 1ozt s ASP 52 Ca 0.60 -0.87 0.17 0.00 -0.52 0.00 0.00 52.55 51.93 1ozt s ASP 52 Cb 0.36 -1.75 0.38 0.00 -1.46 0.00 0.00 42.92 40.45 1ozt s ASP 52 CO -0.16 -0.17 1.26 -3.20 0.52 0.00 0.00 175.17 173.42 1ozt n ASN 53 N 4.74 3.02 -0.00 -0.34 4.05 -1.26 -2.87 115.26 122.59 1ozt n ASN 53 Ca -0.15 -2.95 0.15 0.00 0.45 0.00 0.00 54.58 52.07 1ozt n ASN 53 Cb 0.47 -0.45 0.60 0.00 1.23 0.00 0.00 39.78 41.63 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 0.87 0.84 -1.69 -0.44 1.35 -1.93 -2.62 112.91 109.29 1ozt h THR 54 Ca 0.00 -0.06 -0.56 0.00 -0.55 0.00 0.00 66.41 65.24 1ozt h THR 54 Cb 1.15 0.64 -0.42 0.00 -1.73 0.00 0.00 68.15 67.80 1ozt h THR 54 CO 0.10 0.03 -0.78 0.00 -0.25 0.00 0.00 175.52 174.62 1ozt n ALA 55 N -2.57 4.62 -0.69 6.62 0.00 -1.26 -5.05 120.51 122.18 1ozt n ALA 55 Ca 0.08 -4.24 0.00 0.00 0.00 0.00 0.00 53.44 49.28 1ozt n ALA 55 Cb 0.43 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.22 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 -0.33 0.26 0.07 0.00 0.00 -0.99 -3.17 105.19 101.03 1ozt n GLY 56 Ca 0.33 -0.94 0.10 0.00 0.00 0.00 0.00 46.02 45.51 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 1.26 0.00 0.00 2.02 -1.89 -2.58 112.91 111.73 1ozt h THR 58 Ca 0.00 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.43 1ozt h THR 58 Cb 0.37 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1ozt h THR 58 CO 0.00 0.32 0.00 -1.20 0.37 0.00 0.00 175.52 175.01 1ozt n SER 59 N -4.30 0.13 0.30 4.18 7.64 -1.18 -2.25 113.62 118.14 1ozt n SER 59 Ca 0.08 0.54 0.20 0.00 1.01 0.00 0.00 58.87 60.70 1ozt n SER 59 Cb 0.15 -0.56 0.97 0.00 -1.01 0.00 0.00 64.21 63.76 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 2.33 1.00 -0.08 -0.43 0.00 -1.31 -3.40 119.26 117.36 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 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 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 -0.67 -0.96 3.72 0.00 0.00 -0.95 -0.60 105.19 105.72 1ozt n GLY 61 Ca -0.01 -1.21 -0.29 0.00 0.00 0.00 0.00 46.02 44.51 1ozt n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ozt s PRO 62 N 0.00 0.93 0.96 1.61 0.04 -1.26 -4.71 135.00 132.57 1ozt s PRO 62 Ca 0.00 0.56 -0.13 0.00 0.04 0.00 0.00 61.00 61.47 1ozt s PRO 62 Cb 0.00 -1.79 0.06 0.00 0.04 0.00 0.00 34.50 32.81 1ozt s PRO 62 CO 0.00 -2.40 0.49 0.72 0.04 0.00 0.00 177.00 175.85 1ozt n HIS 63 N -3.95 -1.14 -3.14 0.56 8.25 -1.26 -0.88 115.22 113.66 1ozt n HIS 63 Ca 0.06 0.24 -0.45 0.00 -0.26 0.00 0.00 57.72 57.32 1ozt n HIS 63 Cb 0.57 -1.80 -0.05 0.00 1.12 0.00 0.00 29.99 29.83 1ozt n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1ozt s PHE 64 N -2.42 3.03 -0.47 4.41 5.36 -0.68 -3.97 117.98 123.24 1ozt s PHE 64 Ca 0.58 -0.92 0.07 0.00 -0.96 0.00 0.00 56.93 55.70 1ozt s PHE 64 Cb -0.21 -3.91 0.24 0.00 -0.34 0.00 0.00 43.02 38.80 1ozt s PHE 64 CO 0.66 -1.23 0.56 -1.71 -1.46 0.00 0.00 175.22 172.05 1ozt n ASN 65 N 6.21 1.13 0.00 6.13 5.15 -1.26 -0.13 115.26 132.48 1ozt n ASN 65 Ca -0.09 -2.87 0.04 0.00 -0.60 0.00 0.00 54.58 51.05 1ozt n ASN 65 Cb 0.43 -0.64 0.24 0.00 -0.53 0.00 0.00 39.78 39.27 1ozt n ASN 65 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1ozt n PRO 66 N 1.41 0.39 -0.04 1.20 -0.04 -1.26 -3.25 135.00 133.40 1ozt n PRO 66 Ca 0.24 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.75 1ozt n PRO 66 Cb 0.49 -1.32 0.08 0.00 -0.04 0.00 0.00 33.50 32.70 1ozt n PRO 66 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1ozt n LEU 67 N -0.82 2.21 -4.04 1.53 4.77 -1.26 -5.05 117.00 114.34 1ozt n LEU 67 Ca 0.06 -2.57 -0.38 0.00 -0.03 0.00 0.00 56.01 53.09 1ozt n LEU 67 Cb 0.03 -0.23 -0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1ozt n LEU 67 CO 0.05 0.61 -0.20 -1.20 -1.33 0.00 0.00 177.39 175.32 1ozt n SER 68 N -0.97 -2.61 -4.78 -1.43 7.64 -1.20 -4.98 113.62 105.28 1ozt n SER 68 Ca 0.09 -1.11 -0.22 0.00 1.01 0.00 0.00 58.87 58.63 1ozt n SER 68 Cb 0.46 -1.34 -0.05 0.00 -1.01 0.00 0.00 64.21 62.27 1ozt n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1ozt s ARG 69 N -7.06 2.53 0.64 1.43 0.52 -1.26 -5.11 118.95 110.64 1ozt s ARG 69 Ca 0.34 -1.42 -0.11 0.00 -0.52 0.00 0.00 55.73 54.02 1ozt s ARG 69 Cb -0.19 -2.31 -0.03 0.00 0.52 0.00 0.00 34.95 32.94 1ozt s ARG 69 CO 0.83 0.13 1.04 0.15 0.02 0.00 0.00 175.30 177.48 1ozt s LYS 70 N -3.89 3.43 0.27 3.54 3.01 -1.26 -4.81 119.74 120.03 1ozt s LYS 70 Ca 0.38 0.74 -0.30 0.00 -1.01 0.00 0.00 55.97 55.79 1ozt s LYS 70 Cb -0.04 -2.06 -0.13 0.00 -1.01 0.00 0.00 37.83 34.58 1ozt s LYS 70 CO 0.24 -0.69 1.34 1.58 0.51 0.00 0.00 175.35 178.33 1ozt n HIS 71 N -2.83 2.11 -3.46 3.18 -0.00 -0.56 -4.01 115.22 109.65 1ozt n HIS 71 Ca 0.06 0.49 0.00 0.00 -0.00 0.00 0.00 57.72 58.27 1ozt n HIS 71 Cb 0.54 -2.43 0.00 0.00 -0.00 0.00 0.00 29.99 28.10 1ozt n HIS 71 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1ozt n GLY 72 N 1.72 5.10 3.68 1.57 0.00 -1.24 -4.66 105.19 111.36 1ozt n GLY 72 Ca 0.10 -1.70 -0.24 0.00 0.00 0.00 0.00 46.02 44.18 1ozt n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ozt s GLY 73 N -0.46 1.94 0.29 -0.02 0.00 -1.26 -4.58 107.32 103.23 1ozt s GLY 73 Ca 0.00 -1.84 0.04 0.00 0.00 0.00 0.00 44.72 42.91 1ozt s GLY 73 CO 0.00 -1.80 1.68 -2.55 0.00 0.00 0.00 173.10 170.43 1ozt h PRO 74 N 1.70 0.33 0.00 2.90 0.11 -1.88 -0.95 132.00 134.21 1ozt h PRO 74 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1ozt h PRO 74 Cb 1.25 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ozt h PRO 74 CO 0.64 0.22 -1.02 1.63 -0.21 0.00 0.00 178.00 179.26 1ozt n LYS 75 N -5.09 0.32 -1.99 1.05 5.02 -1.26 -4.94 118.16 111.26 1ozt n LYS 75 Ca 0.22 0.01 -0.41 0.00 -2.02 0.00 0.00 58.31 56.10 1ozt n LYS 75 Cb 0.67 -1.62 -0.02 0.00 -0.02 0.00 0.00 35.03 34.04 1ozt n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ozt s ASP 76 N -4.08 6.63 0.12 4.39 1.01 -0.36 -4.94 116.67 119.43 1ozt s ASP 76 Ca 0.03 2.66 -0.31 0.00 0.71 0.00 0.00 52.55 55.65 1ozt s ASP 76 Cb 0.14 -2.62 -0.11 0.00 1.01 0.00 0.00 42.92 41.34 1ozt s ASP 76 CO 0.80 -0.73 1.51 -0.08 0.21 0.00 0.00 175.17 176.87 1ozt h GLU 77 N 5.33 -0.41 -4.98 8.23 4.57 -1.92 -3.34 114.58 122.07 1ozt h GLU 77 Ca -0.45 0.03 -0.69 0.00 -1.18 0.00 0.00 59.36 57.07 1ozt h GLU 77 Cb 1.22 0.09 -0.18 0.00 -0.16 0.00 0.00 28.75 29.72 1ozt h GLU 77 CO 0.80 -0.27 -0.14 -2.00 -1.18 0.00 0.00 179.01 176.22 1ozt s GLU 78 N -5.45 3.13 0.15 1.92 2.12 -1.26 -5.01 118.70 114.31 1ozt s GLU 78 Ca -0.13 -0.68 -0.11 0.00 0.36 0.00 0.00 54.97 54.41 1ozt s GLU 78 Cb 0.07 -3.96 0.00 0.00 0.26 0.00 0.00 34.13 30.50 1ozt s GLU 78 CO 0.56 -0.89 0.31 -0.98 -0.54 0.00 0.00 175.26 173.73 1ozt s ARG 79 N 2.28 1.13 0.49 4.30 1.70 -1.25 -3.62 118.95 123.98 1ozt s ARG 79 Ca 0.14 -1.06 -0.20 0.00 -0.47 0.00 0.00 55.73 54.15 1ozt s ARG 79 Cb -0.16 0.40 -0.08 0.00 -0.57 0.00 0.00 34.95 34.53 1ozt s ARG 79 CO 0.15 -0.42 1.02 -1.01 -1.08 0.00 0.00 175.30 173.96 1ozt s HIS 80 N -3.92 3.08 0.22 5.89 3.76 -1.26 -4.78 115.29 118.27 1ozt s HIS 80 Ca 0.13 1.57 -0.08 0.00 -0.15 0.00 0.00 55.06 56.53 1ozt s HIS 80 Cb 0.03 -3.00 0.31 0.00 1.11 0.00 0.00 32.58 31.02 1ozt s HIS 80 CO -0.03 -0.69 1.76 0.28 -0.85 0.00 0.00 174.74 175.21 1ozt h VAL 81 N 1.46 0.81 0.00 -0.90 2.07 -1.90 -1.83 116.25 115.96 1ozt h VAL 81 Ca -0.49 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1ozt h VAL 81 Cb 1.21 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1ozt h VAL 81 CO 0.59 0.09 0.00 0.61 0.02 0.00 0.00 177.57 178.88 1ozt n GLY 82 N -1.30 -0.85 3.60 2.17 0.00 0.81 -4.41 105.19 105.22 1ozt n GLY 82 Ca 0.10 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.47 6.61 -0.04 1.61 1.01 -0.69 -0.79 116.67 121.91 1ozt s ASP 83 Ca 0.20 0.43 0.18 0.00 0.71 0.00 0.00 52.55 54.07 1ozt s ASP 83 Cb 0.13 -2.55 0.57 0.00 1.01 0.00 0.00 42.92 42.07 1ozt s ASP 83 CO 0.27 -1.28 1.48 0.18 0.21 0.00 0.00 175.17 176.03 1ozt n LEU 84 N 7.93 3.88 0.00 1.23 4.77 -0.75 -4.29 117.00 129.77 1ozt n LEU 84 Ca 0.12 -2.17 0.00 0.00 -0.03 0.00 0.00 56.01 53.93 1ozt n LEU 84 Cb 0.49 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1ozt n LEU 84 CO 0.72 0.86 0.00 0.61 -1.33 0.00 0.00 177.39 178.25 1ozt n GLY 85 N 1.09 0.75 3.28 -0.72 0.00 -1.22 -4.81 105.19 103.56 1ozt n GLY 85 Ca 0.21 -0.82 -0.15 0.00 0.00 0.00 0.00 46.02 45.26 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 1.55 0.09 1.61 0.01 -1.26 -1.39 114.94 111.56 1ozt s ASN 86 Ca 0.00 -1.17 0.08 0.00 -0.71 0.00 0.00 52.86 51.07 1ozt s ASN 86 Cb 0.00 0.05 -0.03 0.00 0.41 0.00 0.00 41.25 41.68 1ozt s ASN 86 CO 0.00 -0.51 -0.21 0.68 -1.51 0.00 0.00 177.10 175.55 1ozt s VAL 87 N -3.51 1.74 -0.16 1.60 -7.23 -0.01 -4.85 120.40 107.98 1ozt s VAL 87 Ca 0.24 -1.50 -0.01 0.00 -1.81 0.00 0.00 61.98 58.90 1ozt s VAL 87 Cb 0.05 -1.57 -0.01 0.00 0.56 0.00 0.00 36.38 35.41 1ozt s VAL 87 CO 0.05 -0.01 -0.11 -0.89 -0.31 0.00 0.00 175.10 173.84 1ozt s THR 88 N -1.10 3.12 -0.17 5.32 2.01 -1.26 -0.95 115.64 122.61 1ozt s THR 88 Ca 0.07 -0.62 -0.10 0.00 0.31 0.00 0.00 61.69 61.35 1ozt s THR 88 Cb -0.10 -2.34 -0.05 0.00 0.01 0.00 0.00 72.50 70.02 1ozt s THR 88 CO 0.04 0.50 0.15 0.00 -0.69 0.00 0.00 174.62 174.62 1ozt s ALA 89 N 0.67 3.72 1.05 7.40 0.00 0.14 -4.06 121.76 130.68 1ozt s ALA 89 Ca -0.06 -0.65 -0.08 0.00 0.00 0.00 0.00 51.96 51.18 1ozt s ALA 89 Cb -0.15 -2.15 0.11 0.00 0.00 0.00 0.00 23.12 20.93 1ozt s ALA 89 CO 0.02 0.26 0.52 -0.40 0.00 0.00 0.00 175.76 176.17 1ozt n ASP 90 N 3.15 -0.71 0.32 0.00 5.68 0.31 -0.12 116.55 125.19 1ozt n ASP 90 Ca -0.16 -1.00 0.21 0.00 -0.50 0.00 0.00 54.79 53.33 1ozt n ASP 90 Cb 0.53 -0.43 1.08 0.00 -1.14 0.00 0.00 41.12 41.16 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 -0.95 116.57 115.69 1ozt h LYS 91 Ca -0.18 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.47 1ozt h LYS 91 Cb 0.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 1ozt h LYS 91 CO 0.12 0.01 0.00 -0.25 -2.00 0.00 0.00 179.45 177.33 1ozt n ASP 92 N -3.22 1.73 0.00 7.07 8.00 -1.26 -4.82 116.55 124.05 1ozt n ASP 92 Ca -0.02 -1.71 0.00 0.00 0.71 0.00 0.00 54.79 53.76 1ozt n ASP 92 Cb 0.11 -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 1.15 0.46 3.58 0.44 0.00 -0.36 -4.75 105.19 105.71 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 -1.24 120.40 122.45 1ozt s VAL 94 Ca 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 61.67 1ozt s VAL 94 Cb 0.00 -2.78 -0.00 0.00 0.00 0.00 0.00 36.38 33.59 1ozt s VAL 94 CO 0.00 0.53 -0.09 0.00 0.00 0.00 0.00 175.10 175.54 1ozt s ALA 95 N -0.12 2.68 -0.17 5.51 0.00 0.98 -0.53 121.76 130.11 1ozt s ALA 95 Ca 0.04 -1.15 -0.18 0.00 0.00 0.00 0.00 51.96 50.66 1ozt s ALA 95 Cb -0.13 -1.53 -0.04 0.00 0.00 0.00 0.00 23.12 21.42 1ozt s ALA 95 CO 0.02 -0.35 0.50 0.34 0.00 0.00 0.00 175.76 176.27 1ozt s ASP 96 N 1.33 6.61 -0.09 0.00 2.15 -1.26 -1.17 116.67 124.24 1ozt s ASP 96 Ca 0.04 0.72 0.00 0.00 0.43 0.00 0.00 52.55 53.75 1ozt s ASP 96 Cb -0.14 -2.29 -0.03 0.00 -0.30 0.00 0.00 42.92 40.16 1ozt s ASP 96 CO -0.05 -0.11 -0.07 -0.69 -0.17 0.00 0.00 175.17 174.09 1ozt s VAL 97 N 1.23 3.68 -0.30 1.11 1.01 0.16 -4.76 120.40 122.53 1ozt s VAL 97 Ca 0.25 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 1ozt s VAL 97 Cb -0.15 -2.53 0.18 0.00 0.00 0.00 0.00 36.38 33.88 1ozt s VAL 97 CO 0.10 0.58 0.60 -0.55 0.00 0.00 0.00 175.10 175.82 1ozt s SER 98 N -0.52 -1.30 0.13 3.32 0.15 -1.26 -1.68 113.70 112.54 1ozt s SER 98 Ca 0.08 0.94 -0.03 0.00 0.70 0.00 0.00 55.95 57.64 1ozt s SER 98 Cb -0.12 2.15 -0.03 0.00 -1.71 0.00 0.00 66.02 66.31 1ozt s SER 98 CO 0.02 -0.26 0.11 -0.63 1.20 0.00 0.00 173.24 173.68 1ozt s ILE 99 N 2.85 0.10 -0.06 6.45 1.01 -0.29 -5.01 121.20 126.26 1ozt s ILE 99 Ca 0.17 -1.75 -0.02 0.00 0.00 0.00 0.00 60.65 59.06 1ozt s ILE 99 Cb -0.15 -1.92 0.04 0.00 0.01 0.00 0.00 42.46 40.44 1ozt s ILE 99 CO -0.21 -0.48 0.11 -0.70 0.00 0.00 0.00 174.94 173.67 1ozt s GLU 100 N -4.01 0.02 -0.01 2.79 2.12 -1.26 -2.02 118.70 116.33 1ozt s GLU 100 Ca 0.20 0.39 0.02 0.00 0.36 0.00 0.00 54.97 55.94 1ozt s GLU 100 Cb 0.06 -0.27 -0.01 0.00 0.26 0.00 0.00 34.13 34.18 1ozt s GLU 100 CO -0.00 -0.23 -0.08 0.34 -0.54 0.00 0.00 175.26 174.75 1ozt s ASP 101 N 1.61 0.94 -0.05 -1.70 -1.08 -0.41 -4.95 116.67 111.03 1ozt s ASP 101 Ca -0.04 -0.14 0.11 0.00 -0.52 0.00 0.00 52.55 51.96 1ozt s ASP 101 Cb -0.12 -0.11 0.31 0.00 -1.46 0.00 0.00 42.92 41.55 1ozt s ASP 101 CO -0.05 0.10 1.25 -1.54 0.52 0.00 0.00 175.17 175.45 1ozt n SER 102 N 2.89 2.98 -0.13 -0.34 3.41 -1.26 -0.26 113.62 120.92 1ozt n SER 102 Ca -0.13 -2.32 -0.27 0.00 -0.26 0.00 0.00 58.87 55.89 1ozt n SER 102 Cb 0.57 -0.29 -0.11 0.00 -0.26 0.00 0.00 64.21 64.13 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 -0.03 1.53 -1.14 -3.33 0.31 -1.26 -4.90 118.33 109.51 1ozt n VAL 103 Ca 0.12 -0.25 -0.30 0.00 -0.01 0.00 0.00 64.34 63.91 1ozt n VAL 103 Cb 0.53 -1.95 0.13 0.00 -0.91 0.00 0.00 33.84 31.64 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 -2.45 2.82 0.11 2.52 -4.36 -1.26 -4.86 121.20 113.71 1ozt s ILE 104 Ca -0.35 0.27 -0.13 0.00 -0.26 0.00 0.00 60.65 60.17 1ozt s ILE 104 Cb 0.11 -2.68 0.02 0.00 1.25 0.00 0.00 42.46 41.16 1ozt s ILE 104 CO 0.53 -0.35 0.32 -0.55 0.24 0.00 0.00 174.94 175.13 1ozt s SER 105 N -3.29 -0.09 -0.02 4.36 0.15 -0.95 -4.70 113.70 109.15 1ozt s SER 105 Ca 0.63 -0.46 0.21 0.00 0.70 0.00 0.00 55.95 57.04 1ozt s SER 105 Cb -0.18 0.42 0.65 0.00 -1.71 0.00 0.00 66.02 65.19 1ozt s SER 105 CO 0.57 -0.81 1.54 0.18 1.20 0.00 0.00 173.24 175.92 1ozt n LEU 106 N -0.16 3.98 -3.65 3.45 4.77 -1.26 -1.24 117.00 122.89 1ozt n LEU 106 Ca -0.15 -2.00 -0.08 0.00 -0.03 0.00 0.00 56.01 53.75 1ozt n LEU 106 Cb 0.63 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 1ozt n LEU 106 CO 0.19 0.92 0.51 -0.94 -1.33 0.00 0.00 177.39 176.74 1ozt s SER 107 N -0.98 -0.37 0.02 -1.43 1.04 -1.26 -4.83 113.70 105.90 1ozt s SER 107 Ca 0.48 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.61 1ozt s SER 107 Cb 0.26 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.99 1ozt s SER 107 CO 0.31 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 174.07 1ozt n GLY 108 N -0.41 -1.64 0.28 7.32 0.00 -1.26 -3.48 105.19 106.01 1ozt n GLY 108 Ca -0.09 -1.34 0.14 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.57 1.61 3.32 -2.01 -2.41 116.42 116.36 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 0.04 0.00 1.41 -1.72 0.00 0.00 179.24 178.97 1ozt n HIS 110 N -3.84 1.25 -1.68 4.55 8.25 -1.26 -4.98 115.22 117.51 1ozt n HIS 110 Ca -0.03 -0.62 -0.46 0.00 -0.26 0.00 0.00 57.72 56.36 1ozt n HIS 110 Cb 0.13 -0.20 -0.04 0.00 1.12 0.00 0.00 29.99 31.00 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 4.68 0.39 -2.40 0.00 -5.35 -0.38 -4.94 119.36 111.37 1ozt n ILE 112 Ca 0.20 -0.69 -0.42 0.00 -0.27 0.00 0.00 62.75 61.57 1ozt n ILE 112 Cb 0.32 1.07 -0.03 0.00 -1.74 0.00 0.00 39.64 39.27 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 -1.46 3.80 0.00 7.28 1.01 -1.26 -2.30 121.20 128.27 1ozt s ILE 113 Ca 0.32 1.39 0.00 0.00 0.00 0.00 0.00 60.65 62.36 1ozt s ILE 113 Cb 0.19 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 38.77 1ozt s ILE 113 CO 0.28 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.99 1ozt n GLY 114 N 2.74 0.67 3.77 6.18 0.00 -0.22 -5.01 105.19 113.32 1ozt n GLY 114 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1ozt n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ozt n ARG 115 N -2.00 0.67 -4.53 1.61 1.74 -0.97 -2.31 116.66 110.87 1ozt n ARG 115 Ca 0.00 -3.29 -0.34 0.00 -0.77 0.00 0.00 57.85 53.44 1ozt n ARG 115 Cb 0.00 0.20 -0.11 0.00 -1.02 0.00 0.00 32.46 31.53 1ozt n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1ozt s THR 116 N -2.65 3.93 -0.15 0.55 2.01 -1.10 -0.79 115.64 117.44 1ozt s THR 116 Ca 0.39 -0.39 -0.07 0.00 0.31 0.00 0.00 61.69 61.93 1ozt s THR 116 Cb -0.03 -2.63 -0.04 0.00 0.01 0.00 0.00 72.50 69.81 1ozt s THR 116 CO 0.25 0.60 0.09 -0.22 -0.69 0.00 0.00 174.62 174.65 1ozt s LEU 117 N -0.82 4.03 0.05 4.42 2.96 -0.50 0.55 118.68 129.37 1ozt s LEU 117 Ca 0.12 0.24 0.05 0.00 -0.22 0.00 0.00 54.13 54.32 1ozt s LEU 117 Cb -0.11 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 1ozt s LEU 117 CO 0.02 0.28 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.49 1ozt s VAL 118 N -0.23 1.10 -0.14 1.68 1.01 0.10 -2.44 120.40 121.48 1ozt s VAL 118 Ca 0.09 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 61.01 1ozt s VAL 118 Cb -0.12 -1.02 0.00 0.00 0.00 0.00 0.00 36.38 35.25 1ozt s VAL 118 CO 0.01 -0.06 -0.19 0.54 0.00 0.00 0.00 175.10 175.41 1ozt s VAL 119 N -0.96 2.40 0.42 2.92 0.11 -0.81 -1.68 120.40 122.80 1ozt s VAL 119 Ca 0.01 -0.87 -0.01 0.00 -2.93 0.00 0.00 61.98 58.17 1ozt s VAL 119 Cb -0.08 -1.98 -0.02 0.00 -1.53 0.00 0.00 36.38 32.77 1ozt s VAL 119 CO 0.01 0.53 0.65 -1.00 -3.33 0.00 0.00 175.10 171.97 1ozt s HIS 120 N 0.69 3.39 0.18 1.54 3.76 0.95 -1.60 115.29 124.20 1ozt s HIS 120 Ca -0.09 0.40 -0.11 0.00 -0.15 0.00 0.00 55.06 55.11 1ozt s HIS 120 Cb -0.16 -2.17 0.09 0.00 1.11 0.00 0.00 32.58 31.45 1ozt s HIS 120 CO 0.01 -0.18 1.75 1.49 -0.85 0.00 0.00 174.74 176.96 1ozt h GLU 121 N 0.48 0.92 -6.09 1.40 4.81 -0.08 -3.34 114.58 112.67 1ozt h GLU 121 Ca -0.48 -0.15 -0.54 0.00 -0.13 0.00 0.00 59.36 58.06 1ozt h GLU 121 Cb 1.23 -0.16 -0.07 0.00 0.63 0.00 0.00 28.75 30.38 1ozt h GLU 121 CO 0.60 0.76 -0.52 0.15 -0.73 0.00 0.00 179.01 179.27 1ozt s LYS 122 N -5.62 2.40 0.57 1.92 1.02 0.51 -4.88 119.74 115.66 1ozt s LYS 122 Ca -0.13 -1.54 -0.19 0.00 0.02 0.00 0.00 55.97 54.13 1ozt s LYS 122 Cb 0.13 -2.20 -0.04 0.00 -0.52 0.00 0.00 37.83 35.20 1ozt s LYS 122 CO 0.80 0.09 1.14 0.00 -0.92 0.00 0.00 175.35 176.45 1ozt s ALA 123 N -2.43 2.62 -0.26 5.17 0.00 -1.14 -0.55 121.76 125.17 1ozt s ALA 123 Ca 0.38 0.81 -0.21 0.00 0.00 0.00 0.00 51.96 52.95 1ozt s ALA 123 Cb -0.02 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 1ozt s ALA 123 CO 0.23 -0.94 0.67 0.34 0.00 0.00 0.00 175.76 176.07 1ozt s ASP 124 N -1.88 6.61 0.00 0.00 -1.08 -1.26 -3.93 116.67 115.14 1ozt s ASP 124 Ca 0.73 0.72 0.07 0.00 -0.52 0.00 0.00 52.55 53.55 1ozt s ASP 124 Cb -0.25 -2.36 0.40 0.00 -1.46 0.00 0.00 42.92 39.26 1ozt s ASP 124 CO 0.31 -0.42 1.18 -0.90 0.52 0.00 0.00 175.17 175.85 1ozt n ASP 125 N 5.81 0.00 -2.05 -0.34 5.68 0.79 -4.86 116.55 121.57 1ozt n ASP 125 Ca 0.01 -1.60 -0.20 0.00 -0.50 0.00 0.00 54.79 52.50 1ozt n ASP 125 Cb 0.49 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.43 1ozt n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1ozt n LEU 126 N -0.62 -1.65 -0.05 -2.12 4.77 -1.26 -0.67 117.00 115.41 1ozt n LEU 126 Ca 0.05 0.22 -0.01 0.00 -0.03 0.00 0.00 56.01 56.24 1ozt n LEU 126 Cb 0.02 -2.77 -0.00 0.00 -2.33 0.00 0.00 43.42 38.34 1ozt n LEU 126 CO 0.04 -0.55 -0.01 0.61 -1.33 0.00 0.00 177.39 176.15 1ozt n GLY 127 N -0.72 0.46 0.96 -0.72 0.00 -1.23 -4.07 105.19 99.87 1ozt n GLY 127 Ca -0.22 -0.18 0.06 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.50 2.76 0.00 1.61 5.02 0.16 -4.58 118.16 120.63 1ozt n LYS 128 Ca -0.01 -2.90 0.14 0.00 -2.02 0.00 0.00 58.31 53.52 1ozt n LYS 128 Cb 0.08 -1.85 0.56 0.00 -0.02 0.00 0.00 35.03 33.80 1ozt n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ozt n GLY 129 N -0.61 -1.33 1.56 0.72 0.00 -1.26 -4.96 105.19 99.31 1ozt n GLY 129 Ca 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 1.43 0.59 0.05 -0.02 0.00 -1.26 -4.99 105.19 101.00 1ozt n GLY 130 Ca 0.09 -0.17 -0.00 0.00 0.00 0.00 0.00 46.02 45.94 1ozt n GLY 130 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ozt n ASN 131 N 0.30 0.43 0.20 1.61 0.23 -1.26 -5.04 115.26 111.73 1ozt n ASN 131 Ca 0.00 -1.03 0.10 0.00 -0.53 0.00 0.00 54.58 53.11 1ozt n ASN 131 Cb 0.00 0.02 0.15 0.00 -2.08 0.00 0.00 39.78 37.87 1ozt n ASN 131 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1ozt h GLU 132 N 0.00 0.00 -0.05 -3.83 5.08 -2.01 -3.32 114.58 110.45 1ozt h GLU 132 Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1ozt h GLU 132 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1ozt h GLU 132 CO 0.01 0.13 -0.12 0.93 -1.00 0.00 0.00 179.01 178.95 1ozt h GLU 133 N 0.00 0.17 -0.96 2.33 4.39 -1.99 -3.29 114.58 115.23 1ozt h GLU 133 Ca -0.00 -0.12 0.18 0.00 0.34 0.00 0.00 59.36 59.76 1ozt h GLU 133 Cb 1.08 0.02 -0.17 0.00 -0.10 0.00 0.00 28.75 29.57 1ozt h GLU 133 CO 0.02 0.71 -0.29 1.03 -1.16 0.00 0.00 179.01 179.32 1ozt h SER 134 N -0.34 -1.06 0.00 1.42 0.87 -1.89 1.21 113.55 113.76 1ozt h SER 134 Ca -0.00 0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 1ozt h SER 134 Cb 0.71 0.64 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 1ozt h SER 134 CO 0.03 -0.31 0.00 0.35 -0.53 0.00 0.00 176.83 176.37 1ozt n THR 135 N -5.57 0.00 -0.07 2.23 -2.24 -1.24 -0.54 114.28 106.85 1ozt n THR 135 Ca 0.13 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.79 1ozt n THR 135 Cb 0.46 -0.41 -0.04 0.00 -2.10 0.00 0.00 70.33 68.24 1ozt n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ozt n LYS 136 N -0.88 0.40 -1.04 -0.78 5.02 0.39 -1.50 118.16 119.77 1ozt n LYS 136 Ca 0.17 0.17 0.04 0.00 -2.02 0.00 0.00 58.31 56.68 1ozt n LYS 136 Cb 0.08 -1.20 0.08 0.00 -0.02 0.00 0.00 35.03 33.97 1ozt n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1ozt n THR 137 N -4.10 0.76 -1.20 -0.18 -2.24 0.42 -4.63 114.28 103.10 1ozt n THR 137 Ca -0.21 -1.62 -0.07 0.00 -2.27 0.00 0.00 64.05 59.89 1ozt n THR 137 Cb 0.52 0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 69.23 1ozt n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ozt n GLY 138 N -0.14 0.67 3.78 3.38 0.00 0.29 -0.90 105.19 112.27 1ozt n GLY 138 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 1ozt n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ozt n ASN 139 N 0.21 -2.52 0.15 1.61 3.02 -1.26 -0.15 115.26 116.32 1ozt n ASN 139 Ca -0.07 -0.81 0.13 0.00 -0.03 0.00 0.00 54.58 53.80 1ozt n ASN 139 Cb 0.23 -3.98 0.37 0.00 -0.61 0.00 0.00 39.78 35.79 1ozt n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ozt h ALA 140 N 0.90 1.00 0.00 5.41 0.00 -1.14 -3.42 119.26 122.02 1ozt h ALA 140 Ca -0.60 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1ozt h ALA 140 Cb 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1ozt h ALA 140 CO 0.60 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.26 1ozt n GLY 141 N 1.00 -2.27 3.68 0.00 0.00 -1.26 0.19 105.19 106.53 1ozt n GLY 141 Ca 0.04 -1.60 -0.32 0.00 0.00 0.00 0.00 46.02 44.15 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 -3.13 3.11 -0.46 1.61 1.04 -1.26 -4.40 113.70 110.21 1ozt s SER 142 Ca 0.00 2.22 -0.24 0.00 0.48 0.00 0.00 55.95 58.41 1ozt s SER 142 Cb 0.00 -2.57 0.03 0.00 0.10 0.00 0.00 66.02 63.58 1ozt s SER 142 CO 0.00 -2.98 0.86 -0.13 0.98 0.00 0.00 173.24 171.96 1ozt s ARG 143 N -4.54 3.46 0.07 4.02 0.52 -1.26 0.33 118.95 121.55 1ozt s ARG 143 Ca 0.68 0.02 -0.16 0.00 -0.52 0.00 0.00 55.73 55.75 1ozt s ARG 143 Cb -0.24 -3.94 -0.17 0.00 0.52 0.00 0.00 34.95 31.12 1ozt s ARG 143 CO 0.56 -1.18 1.26 -0.07 0.02 0.00 0.00 175.30 175.89 1ozt h LEU 144 N 10.38 0.75 -7.15 2.53 3.38 -1.59 -3.47 115.31 120.14 1ozt h LEU 144 Ca -0.24 -0.63 -0.01 0.00 0.09 0.00 0.00 57.88 57.09 1ozt h LEU 144 Cb 1.08 -0.22 -0.11 0.00 0.09 0.00 0.00 40.66 41.50 1ozt h LEU 144 CO 1.00 1.26 0.22 0.00 0.09 0.00 0.00 178.44 181.01 1ozt s ALA 145 N -3.72 -1.55 0.21 1.53 0.00 -1.21 -4.19 121.76 112.83 1ozt s ALA 145 Ca -0.12 0.38 -0.23 0.00 0.00 0.00 0.00 51.96 51.99 1ozt s ALA 145 Cb 0.07 0.88 0.06 0.00 0.00 0.00 0.00 23.12 24.13 1ozt s ALA 145 CO 0.86 -0.81 0.92 0.00 0.00 0.00 0.00 175.76 176.73 1ozt s GLY 147 N -3.05 -0.47 0.26 0.00 0.00 -1.02 -0.77 107.32 102.26 1ozt s GLY 147 Ca 0.14 1.00 -0.19 0.00 0.00 0.00 0.00 44.72 45.67 1ozt s GLY 147 CO 0.05 0.33 0.75 0.14 0.00 0.00 0.00 173.10 174.37 1ozt s VAL 148 N -3.13 4.56 -0.42 1.40 1.01 -1.26 -1.41 120.40 121.15 1ozt s VAL 148 Ca 0.05 1.26 -0.22 0.00 0.00 0.00 0.00 61.98 63.06 1ozt s VAL 148 Cb -0.01 -3.81 0.02 0.00 0.00 0.00 0.00 36.38 32.58 1ozt s VAL 148 CO -0.09 0.10 0.73 -0.63 0.00 0.00 0.00 175.10 175.21 1ozt s ILE 149 N -1.65 4.74 0.32 2.22 1.01 0.03 -4.45 121.20 123.42 1ozt s ILE 149 Ca 0.46 0.48 0.08 0.00 0.00 0.00 0.00 60.65 61.67 1ozt s ILE 149 Cb -0.15 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.04 1ozt s ILE 149 CO 0.20 -0.58 0.17 -0.83 0.00 0.00 0.00 174.94 173.90 1ozt s GLY 150 N 2.00 1.82 0.06 6.18 0.00 0.14 -1.05 107.32 116.47 1ozt s GLY 150 Ca 0.28 -1.73 -0.31 0.00 0.00 0.00 0.00 44.72 42.96 1ozt s GLY 150 CO 0.20 -1.68 1.42 -0.42 0.00 0.00 0.00 173.10 172.62 1ozt s ILE 151 N -2.36 3.46 0.28 0.90 1.01 -1.26 -0.26 121.20 122.97 1ozt s ILE 151 Ca 0.37 0.96 0.08 0.00 0.00 0.00 0.00 60.65 62.06 1ozt s ILE 151 Cb -0.04 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 1ozt s ILE 151 CO 0.23 0.03 0.11 0.00 0.00 0.00 0.00 174.94 175.32 1ozt s ALA 152 N 1.87 3.42 -2.00 9.38 0.00 -0.73 -4.78 121.76 128.91 1ozt s ALA 152 Ca 0.65 -1.59 0.26 0.00 0.00 0.00 0.00 51.96 51.28 1ozt s ALA 152 Cb -0.35 -0.99 1.58 0.00 0.00 0.00 0.00 23.12 23.36 1ozt s ALA 152 CO 0.29 0.21 1.93 0.94 0.00 0.00 0.00 175.76 179.12