#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ozb n PRO 16 N 0.00 0.71 -3.85 2.61 -0.04 -1.26 -4.91 135.00 128.25 1ozb n PRO 16 Ca 0.00 0.26 -0.12 0.00 -0.04 0.00 0.00 63.50 63.60 1ozb n PRO 16 Cb 0.00 -1.65 -0.14 0.00 -0.04 0.00 0.00 33.50 31.67 1ozb n PRO 16 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ozb s VAL 17 N -1.47 -0.01 -0.24 0.52 0.11 -0.32 -5.00 120.40 113.98 1ozb s VAL 17 Ca 0.64 0.03 -0.04 0.00 -2.93 0.00 0.00 61.98 59.69 1ozb s VAL 17 Cb -0.57 -0.02 0.08 0.00 -1.53 0.00 0.00 36.38 34.34 1ozb s VAL 17 CO 0.57 0.01 0.10 -0.22 -3.33 0.00 0.00 175.10 172.23 1ozb s LEU 18 N 0.15 0.85 0.03 2.54 2.96 -1.24 -1.82 118.68 122.15 1ozb s LEU 18 Ca -0.01 -1.05 0.07 0.00 -0.22 0.00 0.00 54.13 52.92 1ozb s LEU 18 Cb -0.02 -0.44 -0.02 0.00 0.50 0.00 0.00 46.19 46.21 1ozb s LEU 18 CO -0.00 -0.38 -0.21 -1.58 -1.32 0.00 0.00 176.35 172.85 1ozb s GLN 19 N 2.00 1.49 -0.30 1.98 2.00 -0.21 -4.96 119.66 121.65 1ozb s GLN 19 Ca 0.05 -0.92 -0.18 0.00 -2.00 0.00 0.00 55.36 52.32 1ozb s GLN 19 Cb -0.16 -1.57 -0.02 0.00 0.80 0.00 0.00 33.01 32.05 1ozb s GLN 19 CO -0.22 0.41 0.51 0.42 -0.50 0.00 0.00 175.29 175.91 1ozb s ILE 20 N -0.74 5.05 -0.18 -2.34 1.01 -1.26 -0.37 121.20 122.38 1ozb s ILE 20 Ca 0.08 0.64 -0.14 0.00 0.00 0.00 0.00 60.65 61.23 1ozb s ILE 20 Cb -0.09 -3.88 -0.22 0.00 0.01 0.00 0.00 42.46 38.29 1ozb s ILE 20 CO 0.01 -0.04 0.24 0.00 0.00 0.00 0.00 174.94 175.16 1ozb n GLN 21 N 5.62 0.65 -3.61 2.79 1.13 0.68 -4.97 117.38 119.68 1ozb n GLN 21 Ca -0.05 0.41 -0.15 0.00 -1.94 0.00 0.00 57.00 55.27 1ozb n GLN 21 Cb 0.49 -1.71 -0.07 0.00 0.11 0.00 0.00 30.24 29.06 1ozb n GLN 21 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1ozb s ARG 22 N -2.46 0.86 -0.14 -1.09 3.52 -1.10 -4.96 118.95 113.58 1ozb s ARG 22 Ca -0.27 0.52 0.02 0.00 -0.13 0.00 0.00 55.73 55.87 1ozb s ARG 22 Cb 0.07 0.41 0.01 0.00 -1.56 0.00 0.00 34.95 33.88 1ozb s ARG 22 CO 0.66 -0.20 -0.19 0.42 -0.81 0.00 0.00 175.30 175.19 1ozb s ILE 23 N -0.45 1.82 0.18 4.11 -1.09 -1.26 -0.38 121.20 124.13 1ozb s ILE 23 Ca -0.06 -0.83 -0.13 0.00 -2.23 0.00 0.00 60.65 57.40 1ozb s ILE 23 Cb -0.03 -1.64 0.01 0.00 -1.58 0.00 0.00 42.46 39.22 1ozb s ILE 23 CO 0.05 0.50 0.41 -0.72 -1.23 0.00 0.00 174.94 173.95 1ozb s TYR 24 N 1.01 0.14 -0.20 3.97 -0.85 -0.34 -5.00 117.35 116.09 1ozb s TYR 24 Ca -0.04 -0.50 -0.07 0.00 -0.52 0.00 0.00 57.07 55.94 1ozb s TYR 24 Cb -0.15 0.18 -0.04 0.00 0.38 0.00 0.00 41.96 42.33 1ozb s TYR 24 CO -0.04 -0.83 0.06 0.08 -1.52 0.00 0.00 175.55 173.30 1ozb s VAL 25 N -3.92 4.63 -0.03 -3.49 1.01 -1.26 -0.84 120.40 116.49 1ozb s VAL 25 Ca 0.13 -0.09 0.10 0.00 0.00 0.00 0.00 61.98 62.13 1ozb s VAL 25 Cb 0.01 -3.10 -0.23 0.00 0.00 0.00 0.00 36.38 33.06 1ozb s VAL 25 CO -0.01 0.43 0.70 0.11 0.00 0.00 0.00 175.10 176.33 1ozb h LYS 26 N 7.06 0.03 -2.09 2.72 1.57 -1.65 -3.48 116.57 120.72 1ozb h LYS 26 Ca -0.36 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.31 1ozb h LYS 26 Cb 1.17 0.02 -0.21 0.00 0.08 0.00 0.00 32.23 33.29 1ozb h LYS 26 CO 0.66 0.62 0.09 0.34 -0.57 0.00 0.00 179.45 180.59 1ozb s ASP 27 N -6.26 -0.71 0.00 0.86 2.15 -1.23 -5.02 116.67 106.46 1ozb s ASP 27 Ca -0.06 1.34 -0.01 0.00 0.43 0.00 0.00 52.55 54.25 1ozb s ASP 27 Cb 0.08 1.35 -0.01 0.00 -0.30 0.00 0.00 42.92 44.05 1ozb s ASP 27 CO 0.82 -0.25 0.01 -0.69 -0.17 0.00 0.00 175.17 174.89 1ozb s VAL 28 N 0.29 0.04 -0.12 1.11 1.01 -1.26 -0.82 120.40 120.66 1ozb s VAL 28 Ca -0.00 -0.35 -0.08 0.00 0.00 0.00 0.00 61.98 61.54 1ozb s VAL 28 Cb -0.05 -0.14 0.04 0.00 0.00 0.00 0.00 36.38 36.23 1ozb s VAL 28 CO 0.01 -0.19 0.30 -0.44 0.00 0.00 0.00 175.10 174.78 1ozb s SER 29 N -0.57 -0.33 -0.11 3.32 0.01 -0.07 -5.00 113.70 110.95 1ozb s SER 29 Ca -0.06 0.63 -0.05 0.00 1.31 0.00 0.00 55.95 57.78 1ozb s SER 29 Cb -0.04 0.57 0.05 0.00 0.21 0.00 0.00 66.02 66.81 1ozb s SER 29 CO -0.00 -0.15 0.23 0.12 0.41 0.00 0.00 173.24 173.85 1ozb s PHE 30 N 0.82 -0.33 -0.03 2.43 5.36 -1.26 -0.72 117.98 124.25 1ozb s PHE 30 Ca -0.05 0.81 0.03 0.00 -0.96 0.00 0.00 56.93 56.75 1ozb s PHE 30 Cb -0.06 -0.04 0.01 0.00 -0.34 0.00 0.00 43.02 42.58 1ozb s PHE 30 CO -0.06 -0.28 -0.10 -1.21 -1.46 0.00 0.00 175.22 172.12 1ozb s GLU 31 N 1.83 1.10 -0.55 10.12 2.02 0.33 -4.98 118.70 128.56 1ozb s GLU 31 Ca -0.04 -0.33 0.05 0.00 0.02 0.00 0.00 54.97 54.67 1ozb s GLU 31 Cb -0.11 -1.00 0.18 0.00 0.10 0.00 0.00 34.13 33.30 1ozb s GLU 31 CO -0.08 0.10 0.45 0.00 0.02 0.00 0.00 175.26 175.76 1ozb n ALA 32 N 3.39 3.16 -0.07 5.21 0.00 -1.26 -0.85 120.51 130.08 1ozb n ALA 32 Ca -0.19 -3.85 -0.09 0.00 0.00 0.00 0.00 53.44 49.30 1ozb n ALA 32 Cb 0.54 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 19.08 1ozb n ALA 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1ozb h PRO 33 N 5.28 -0.30 -1.42 0.00 0.11 -1.84 -3.28 132.00 130.56 1ozb h PRO 33 Ca 0.20 0.02 -0.38 0.00 0.11 0.00 0.00 66.00 65.95 1ozb h PRO 33 Cb 0.82 0.07 -0.16 0.00 0.11 0.00 0.00 31.00 31.83 1ozb h PRO 33 CO 0.56 -0.20 0.49 0.09 -0.21 0.00 0.00 178.00 178.74 1ozb n ASN 34 N -5.41 6.58 -4.90 -2.05 3.02 -1.26 -4.96 115.26 106.28 1ozb n ASN 34 Ca -0.01 -3.18 -0.33 0.00 -0.03 0.00 0.00 54.58 51.03 1ozb n ASN 34 Cb 0.33 -1.03 -0.05 0.00 -0.61 0.00 0.00 39.78 38.42 1ozb n ASN 34 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ozb s LEU 35 N -2.16 4.35 0.00 3.41 1.02 -1.24 -0.55 118.68 123.51 1ozb s LEU 35 Ca 0.37 0.46 0.26 0.00 0.02 0.00 0.00 54.13 55.23 1ozb s LEU 35 Cb 0.29 -2.82 0.62 0.00 0.02 0.00 0.00 46.19 44.30 1ozb s LEU 35 CO -0.00 0.21 1.49 -0.81 0.02 0.00 0.00 176.35 177.25 1ozb n PRO 36 N 0.75 1.48 0.03 1.29 -0.04 -1.26 -4.90 135.00 132.34 1ozb n PRO 36 Ca -0.08 -1.02 0.07 0.00 -0.04 0.00 0.00 63.50 62.42 1ozb n PRO 36 Cb 0.52 -1.48 0.49 0.00 -0.04 0.00 0.00 33.50 32.99 1ozb n PRO 36 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 1ozb h HIS 37 N 2.50 0.39 -0.17 0.54 2.07 -1.98 -1.87 115.15 116.64 1ozb h HIS 37 Ca 0.00 0.01 0.05 0.00 -2.85 0.00 0.00 60.37 57.58 1ozb h HIS 37 Cb 0.64 -0.13 -0.01 0.00 2.57 0.00 0.00 27.41 30.48 1ozb h HIS 37 CO 0.00 0.23 0.29 0.97 -3.07 0.00 0.00 177.93 176.35 1ozb h ILE 38 N 0.41 0.25 0.00 6.12 6.09 -1.18 0.16 117.51 129.36 1ozb h ILE 38 Ca 0.15 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.64 1ozb h ILE 38 Cb 0.11 0.75 0.00 0.00 0.47 0.00 0.00 36.82 38.14 1ozb h ILE 38 CO -0.04 0.00 0.00 0.49 -3.07 0.00 0.00 178.15 175.53 1ozb n PHE 39 N -3.41 0.00 0.54 2.19 0.99 -0.70 -2.29 117.46 114.78 1ozb n PHE 39 Ca 0.01 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.58 1ozb n PHE 39 Cb 0.40 -0.49 0.05 0.00 -1.00 0.00 0.00 39.48 38.43 1ozb n PHE 39 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1ozb n GLN 40 N -1.49 0.31 -1.86 -1.08 6.02 0.55 -4.92 117.38 114.89 1ozb n GLN 40 Ca 0.03 0.01 -0.30 0.00 -0.01 0.00 0.00 57.00 56.73 1ozb n GLN 40 Cb 0.14 -1.62 0.05 0.00 1.02 0.00 0.00 30.24 29.83 1ozb n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1ozb s GLN 41 N -3.20 2.88 -0.01 -1.09 -0.21 -0.97 -5.00 119.66 112.06 1ozb s GLN 41 Ca 0.04 0.49 -0.30 0.00 0.02 0.00 0.00 55.36 55.61 1ozb s GLN 41 Cb 0.14 -2.02 -0.03 0.00 1.00 0.00 0.00 33.01 32.10 1ozb s GLN 41 CO 0.79 -1.03 1.06 -1.21 -2.12 0.00 0.00 175.29 172.78 1ozb s GLU 42 N -5.34 4.48 -1.10 2.91 2.02 -1.26 -4.91 118.70 115.50 1ozb s GLU 42 Ca 0.58 1.53 -0.24 0.00 0.02 0.00 0.00 54.97 56.86 1ozb s GLU 42 Cb -0.11 -3.46 -0.10 0.00 0.10 0.00 0.00 34.13 30.55 1ozb s GLU 42 CO 0.52 -0.20 1.98 -0.46 0.02 0.00 0.00 175.26 177.12 1ozb s TRP 43 N 1.38 1.79 -0.70 1.61 -0.11 -1.26 -4.79 118.94 116.86 1ozb s TRP 43 Ca 0.53 0.82 0.04 0.00 1.22 0.00 0.00 56.10 58.71 1ozb s TRP 43 Cb -0.23 -3.89 0.17 0.00 -1.50 0.00 0.00 33.47 28.02 1ozb s TRP 43 CO 0.25 -1.25 0.49 0.15 -4.62 0.00 0.00 176.95 171.98 1ozb s LYS 44 N 6.95 2.50 0.35 5.86 1.02 -1.26 -5.09 119.74 130.07 1ozb s LYS 44 Ca 0.71 -3.21 -0.27 0.00 0.02 0.00 0.00 55.97 53.22 1ozb s LYS 44 Cb -0.03 -3.49 -0.09 0.00 -0.52 0.00 0.00 37.83 33.70 1ozb s LYS 44 CO 0.11 -1.25 1.18 -1.25 -0.92 0.00 0.00 175.35 173.22 1ozb s PRO 45 N -1.23 4.28 -0.25 -1.68 0.04 -1.26 -0.92 135.00 133.98 1ozb s PRO 45 Ca 0.24 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.19 1ozb s PRO 45 Cb -0.09 -2.90 0.07 0.00 0.04 0.00 0.00 34.50 31.62 1ozb s PRO 45 CO -0.13 -0.15 -0.02 0.21 0.04 0.00 0.00 177.00 176.95 1ozb s LYS 46 N -1.97 1.39 -0.21 4.56 2.20 0.20 -4.85 119.74 121.05 1ozb s LYS 46 Ca 0.52 -0.99 -0.17 0.00 -0.36 0.00 0.00 55.97 54.96 1ozb s LYS 46 Cb -0.33 -2.51 -0.03 0.00 -1.51 0.00 0.00 37.83 33.45 1ozb s LYS 46 CO 0.42 -0.67 0.48 -1.17 -0.36 0.00 0.00 175.35 174.05 1ozb s LEU 47 N 1.44 4.13 -0.21 5.43 2.96 -1.26 -1.09 118.68 130.08 1ozb s LEU 47 Ca -0.02 0.59 -0.07 0.00 -0.22 0.00 0.00 54.13 54.41 1ozb s LEU 47 Cb -0.18 -2.63 -0.03 0.00 0.50 0.00 0.00 46.19 43.84 1ozb s LEU 47 CO -0.09 -0.17 0.05 -0.83 -1.32 0.00 0.00 176.35 173.99 1ozb s GLY 48 N 1.21 1.81 -0.15 7.98 0.00 0.20 -4.97 107.32 113.40 1ozb s GLY 48 Ca 0.22 -0.93 -0.00 0.00 0.00 0.00 0.00 44.72 44.00 1ozb s GLY 48 CO 0.09 0.25 -0.06 -0.12 0.00 0.00 0.00 173.10 173.26 1ozb s PHE 49 N 0.93 1.66 0.01 1.90 5.36 -1.26 -0.49 117.98 126.09 1ozb s PHE 49 Ca 0.03 -0.99 0.06 0.00 -0.96 0.00 0.00 56.93 55.07 1ozb s PHE 49 Cb -0.14 -1.30 -0.03 0.00 -0.34 0.00 0.00 43.02 41.21 1ozb s PHE 49 CO 0.02 -0.59 -0.18 -0.51 -1.46 0.00 0.00 175.22 172.51 1ozb s ASP 50 N 1.65 3.78 0.00 6.13 1.01 0.91 -4.97 116.67 125.18 1ozb s ASP 50 Ca 0.02 -0.36 -0.04 0.00 0.71 0.00 0.00 52.55 52.88 1ozb s ASP 50 Cb -0.14 -0.65 -0.01 0.00 1.01 0.00 0.00 42.92 43.13 1ozb s ASP 50 CO -0.08 0.29 0.06 -0.22 0.21 0.00 0.00 175.17 175.43 1ozb s LEU 51 N -1.14 1.84 -0.05 1.23 0.20 -1.26 -0.27 118.68 119.23 1ozb s LEU 51 Ca 0.13 -0.25 -0.29 0.00 0.69 0.00 0.00 54.13 54.41 1ozb s LEU 51 Cb -0.10 0.39 0.11 0.00 -0.43 0.00 0.00 46.19 46.15 1ozb s LEU 51 CO 0.03 -0.28 0.92 -0.94 -0.29 0.00 0.00 176.35 175.79 1ozb s SER 52 N -1.16 -0.37 0.13 3.68 1.04 -0.48 -5.01 113.70 111.54 1ozb s SER 52 Ca -0.13 0.11 0.04 0.00 0.48 0.00 0.00 55.95 56.45 1ozb s SER 52 Cb -0.07 0.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.37 1ozb s SER 52 CO 0.00 -0.54 -0.09 0.42 0.98 0.00 0.00 173.24 174.00 1ozb s THR 53 N -2.59 1.06 -0.16 2.02 -4.23 -1.26 0.18 115.64 110.66 1ozb s THR 53 Ca 0.03 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.34 1ozb s THR 53 Cb -0.01 -1.78 0.05 0.00 1.34 0.00 0.00 72.50 72.11 1ozb s THR 53 CO -0.06 -0.76 0.54 -1.83 -0.54 0.00 0.00 174.62 171.97 1ozb s GLU 54 N -3.69 0.70 0.24 3.99 -1.05 -0.72 -5.00 118.70 113.17 1ozb s GLU 54 Ca 0.15 0.57 0.12 0.00 -0.15 0.00 0.00 54.97 55.65 1ozb s GLU 54 Cb 0.03 0.34 -0.05 0.00 -0.44 0.00 0.00 34.13 34.01 1ozb s GLU 54 CO -0.01 -0.13 -0.22 0.99 0.95 0.00 0.00 175.26 176.85 1ozb s THR 55 N -0.12 2.39 -0.21 1.83 2.01 -1.26 -0.64 115.64 119.63 1ozb s THR 55 Ca -0.03 -2.23 -0.11 0.00 0.31 0.00 0.00 61.69 59.63 1ozb s THR 55 Cb -0.03 -2.21 0.07 0.00 0.01 0.00 0.00 72.50 70.34 1ozb s THR 55 CO 0.03 -0.28 0.51 -0.89 -0.69 0.00 0.00 174.62 173.29 1ozb s THR 56 N -2.15 -0.11 0.00 -0.82 2.01 -0.81 -4.99 115.64 108.78 1ozb s THR 56 Ca 0.25 0.07 -0.30 0.00 0.31 0.00 0.00 61.69 62.02 1ozb s THR 56 Cb -0.06 -0.75 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 1ozb s THR 56 CO 0.12 0.03 1.08 -1.58 -0.69 0.00 0.00 174.62 173.58 1ozb s GLN 57 N 1.63 4.48 0.00 4.92 0.74 -1.26 -0.20 119.66 129.97 1ozb s GLN 57 Ca -0.09 1.56 0.05 0.00 0.05 0.00 0.00 55.36 56.93 1ozb s GLN 57 Cb -0.08 -3.44 0.10 0.00 1.10 0.00 0.00 33.01 30.68 1ozb s GLN 57 CO -0.15 -0.19 0.93 1.55 -0.55 0.00 0.00 175.29 176.87 1ozb n VAL 58 N 4.07 0.61 -2.54 1.34 3.14 0.68 -4.91 118.33 120.72 1ozb n VAL 58 Ca 0.08 -0.80 0.00 0.00 -2.96 0.00 0.00 64.34 60.66 1ozb n VAL 58 Cb 0.49 0.74 0.00 0.00 -1.06 0.00 0.00 33.84 34.00 1ozb n VAL 58 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ozb n GLY 59 N 0.07 -1.29 3.63 7.55 0.00 -0.95 -4.95 105.19 109.25 1ozb n GLY 59 Ca 0.04 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 1ozb n GLY 59 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ozb s ASP 60 N -3.21 6.60 -0.34 1.61 1.01 -1.26 -2.72 116.67 118.36 1ozb s ASP 60 Ca 0.00 1.28 0.00 0.00 0.71 0.00 0.00 52.55 54.54 1ozb s ASP 60 Cb 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 1ozb s ASP 60 CO 0.00 -1.13 0.00 0.47 0.21 0.00 0.00 175.17 174.72 1ozb n ASP 61 N 7.84 -4.87 -4.26 0.27 10.43 -1.26 -4.96 116.55 119.74 1ozb n ASP 61 Ca 0.16 0.08 -0.34 0.00 2.57 0.00 0.00 54.79 57.25 1ozb n ASP 61 Cb 0.46 -2.65 -0.15 0.00 1.84 0.00 0.00 41.12 40.62 1ozb n ASP 61 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1ozb s LEU 62 N -0.73 2.64 0.00 0.64 1.43 -1.10 -0.86 118.68 120.70 1ozb s LEU 62 Ca 0.00 -0.46 0.05 0.00 -1.03 0.00 0.00 54.13 52.69 1ozb s LEU 62 Cb 0.00 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.56 1ozb s LEU 62 CO 0.00 0.00 -0.16 -0.31 0.23 0.00 0.00 176.35 176.11 1ozb s TYR 63 N 1.32 1.42 -0.33 0.29 1.51 -0.01 -0.23 117.35 121.32 1ozb s TYR 63 Ca 0.04 -0.29 -0.11 0.00 -1.01 0.00 0.00 57.07 55.70 1ozb s TYR 63 Cb -0.14 -0.90 -0.01 0.00 -0.11 0.00 0.00 41.96 40.81 1ozb s TYR 63 CO -0.05 -0.00 0.19 -2.00 -1.11 0.00 0.00 175.55 172.58 1ozb s GLU 64 N -0.59 3.33 -0.16 -0.62 2.12 0.73 -0.13 118.70 123.38 1ozb s GLU 64 Ca 0.05 -0.74 -0.08 0.00 0.36 0.00 0.00 54.97 54.57 1ozb s GLU 64 Cb -0.07 -3.68 -0.04 0.00 0.26 0.00 0.00 34.13 30.60 1ozb s GLU 64 CO -0.00 -0.46 0.12 0.08 -0.54 0.00 0.00 175.26 174.46 1ozb s VAL 65 N 1.65 5.35 -0.12 3.70 1.01 0.15 -1.92 120.40 130.22 1ozb s VAL 65 Ca 0.05 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.22 1ozb s VAL 65 Cb -0.17 -3.38 0.01 0.00 0.00 0.00 0.00 36.38 32.83 1ozb s VAL 65 CO 0.08 0.53 -0.23 -0.69 0.00 0.00 0.00 175.10 174.79 1ozb s VAL 66 N -0.31 2.04 -0.28 2.92 1.01 0.18 -1.29 120.40 124.67 1ozb s VAL 66 Ca 0.11 -0.99 -0.08 0.00 0.00 0.00 0.00 61.98 61.03 1ozb s VAL 66 Cb -0.12 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 1ozb s VAL 66 CO 0.01 0.55 0.09 -0.22 0.00 0.00 0.00 175.10 175.53 1ozb s LEU 67 N 0.61 3.77 -0.22 3.92 2.96 0.22 -1.76 118.68 128.17 1ozb s LEU 67 Ca -0.12 -0.51 -0.09 0.00 -0.22 0.00 0.00 54.13 53.19 1ozb s LEU 67 Cb -0.17 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 1ozb s LEU 67 CO 0.03 -0.14 0.11 0.20 -1.32 0.00 0.00 176.35 175.23 1ozb s ASN 68 N 1.56 5.77 -0.06 3.68 0.01 0.13 -1.11 114.94 124.92 1ozb s ASN 68 Ca 0.04 0.04 0.02 0.00 -0.71 0.00 0.00 52.86 52.25 1ozb s ASN 68 Cb -0.16 -2.03 0.01 0.00 0.41 0.00 0.00 41.25 39.48 1ozb s ASN 68 CO 0.04 0.08 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.96 1ozb s ILE 69 N 0.96 1.04 -0.09 0.60 1.01 -0.30 -1.38 121.20 123.05 1ozb s ILE 69 Ca 0.06 -0.43 0.03 0.00 0.00 0.00 0.00 60.65 60.31 1ozb s ILE 69 Cb -0.14 -0.96 0.01 0.00 0.01 0.00 0.00 42.46 41.38 1ozb s ILE 69 CO 0.03 0.33 -0.19 -0.55 0.00 0.00 0.00 174.94 174.57 1ozb s SER 70 N 0.65 2.53 -0.06 3.58 0.15 0.63 -0.66 113.70 120.53 1ozb s SER 70 Ca -0.13 -0.45 0.01 0.00 0.70 0.00 0.00 55.95 56.08 1ozb s SER 70 Cb -0.15 -1.16 0.02 0.00 -1.71 0.00 0.00 66.02 63.02 1ozb s SER 70 CO 0.03 0.10 -0.06 -0.69 1.20 0.00 0.00 173.24 173.82 1ozb s VAL 71 N 0.51 0.69 -0.07 4.45 1.01 0.13 -0.06 120.40 127.06 1ozb s VAL 71 Ca -0.17 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1ozb s VAL 71 Cb -0.17 -0.70 0.02 0.00 0.00 0.00 0.00 36.38 35.53 1ozb s VAL 71 CO 0.06 0.27 -0.06 -0.70 0.00 0.00 0.00 175.10 174.67 1ozb s GLU 72 N 0.98 1.16 -0.11 2.72 2.12 0.36 0.25 118.70 126.18 1ozb s GLU 72 Ca -0.10 -0.18 0.03 0.00 0.36 0.00 0.00 54.97 55.08 1ozb s GLU 72 Cb -0.14 -1.16 0.01 0.00 0.26 0.00 0.00 34.13 33.10 1ozb s GLU 72 CO 0.00 -0.12 -0.21 0.99 -0.54 0.00 0.00 175.26 175.38 1ozb s THR 73 N 1.17 1.90 0.18 -1.70 2.01 -0.36 0.62 115.64 119.46 1ozb s THR 73 Ca -0.06 -0.90 0.10 0.00 0.31 0.00 0.00 61.69 61.14 1ozb s THR 73 Cb -0.14 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 1ozb s THR 73 CO -0.01 0.52 -0.22 0.42 -0.69 0.00 0.00 174.62 174.64 1ozb s THR 74 N 0.65 2.15 -0.22 -0.82 -4.23 -0.25 -0.04 115.64 112.88 1ozb s THR 74 Ca -0.12 -1.98 -0.20 0.00 -1.18 0.00 0.00 61.69 58.21 1ozb s THR 74 Cb -0.16 -2.01 -0.03 0.00 1.34 0.00 0.00 72.50 71.64 1ozb s THR 74 CO 0.03 -0.19 0.58 -0.76 -0.54 0.00 0.00 174.62 173.74 1ozb s LEU 75 N -2.66 4.11 0.13 4.79 1.02 -0.68 0.59 118.68 125.98 1ozb s LEU 75 Ca 0.19 0.71 -0.19 0.00 0.02 0.00 0.00 54.13 54.86 1ozb s LEU 75 Cb -0.07 -2.80 -0.01 0.00 0.02 0.00 0.00 46.19 43.33 1ozb s LEU 75 CO 0.09 -0.27 1.73 1.05 0.02 0.00 0.00 176.35 178.96 1ozb h GLU 76 N 7.66 0.12 -1.56 1.70 4.11 -1.36 0.21 114.58 125.46 1ozb h GLU 76 Ca -0.30 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.09 1ozb h GLU 76 Cb 1.14 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1ozb h GLU 76 CO 0.75 0.08 0.04 -0.40 0.07 0.00 0.00 179.01 179.55 1ozb n ASP 77 N -5.10 4.47 0.00 3.06 3.85 -1.26 -3.51 116.55 118.06 1ozb n ASP 77 Ca -0.02 -2.32 0.00 0.00 -0.71 0.00 0.00 54.79 51.75 1ozb n ASP 77 Cb 0.11 -0.87 0.00 0.00 -1.35 0.00 0.00 41.12 39.00 1ozb n ASP 77 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 1ozb n SER 78 N 0.99 0.00 0.00 -1.12 3.41 -1.16 -5.01 113.62 110.73 1ozb n SER 78 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1ozb n SER 78 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1ozb n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ozb n GLY 79 N -0.12 2.22 3.72 5.00 0.00 0.72 -4.99 105.19 111.74 1ozb n GLY 79 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1ozb n GLY 79 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ozb n ASP 80 N 0.00 2.60 -4.69 1.61 10.43 -1.25 -4.69 116.55 120.56 1ozb n ASP 80 Ca 0.00 1.05 -0.42 0.00 2.57 0.00 0.00 54.79 57.99 1ozb n ASP 80 Cb 0.00 -1.53 -0.03 0.00 1.84 0.00 0.00 41.12 41.39 1ozb n ASP 80 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1ozb s VAL 81 N -1.25 4.88 -0.15 2.53 1.01 -1.26 -1.69 120.40 124.47 1ozb s VAL 81 Ca 0.65 1.83 -0.23 0.00 0.00 0.00 0.00 61.98 64.24 1ozb s VAL 81 Cb -0.46 -4.22 -0.24 0.00 0.00 0.00 0.00 36.38 31.45 1ozb s VAL 81 CO 0.55 0.10 0.54 0.00 0.00 0.00 0.00 175.10 176.28 1ozb h ALA 82 N 7.02 0.13 -1.77 5.51 0.00 -0.80 -3.39 119.26 125.95 1ozb h ALA 82 Ca -0.35 -0.90 0.05 0.00 0.00 0.00 0.00 54.91 53.72 1ozb h ALA 82 Cb 1.17 0.37 -0.21 0.00 0.00 0.00 0.00 17.79 19.13 1ozb h ALA 82 CO 0.81 0.47 0.46 -0.59 0.00 0.00 0.00 179.25 180.39 1ozb s PHE 83 N -2.35 -0.43 -0.05 0.00 -0.12 -1.13 -4.51 117.98 109.40 1ozb s PHE 83 Ca -0.22 0.68 0.05 0.00 -0.05 0.00 0.00 56.93 57.39 1ozb s PHE 83 Cb 0.02 0.46 -0.01 0.00 -0.63 0.00 0.00 43.02 42.86 1ozb s PHE 83 CO 0.69 -0.43 -0.20 0.42 -0.05 0.00 0.00 175.22 175.64 1ozb s ILE 84 N -1.44 1.68 -0.05 -4.49 -1.09 -0.03 -1.22 121.20 114.56 1ozb s ILE 84 Ca -0.03 -0.86 -0.02 0.00 -2.23 0.00 0.00 60.65 57.51 1ozb s ILE 84 Cb -0.00 -1.43 0.03 0.00 -1.58 0.00 0.00 42.46 39.48 1ozb s ILE 84 CO 0.02 0.48 0.09 0.00 -1.23 0.00 0.00 174.94 174.29 1ozb s GLU 86 N 1.86 2.50 -0.03 0.00 2.02 0.10 0.19 118.70 125.35 1ozb s GLU 86 Ca 0.00 -0.73 0.03 0.00 0.02 0.00 0.00 54.97 54.30 1ozb s GLU 86 Cb -0.12 -1.96 -0.00 0.00 0.10 0.00 0.00 34.13 32.14 1ozb s GLU 86 CO -0.04 0.16 -0.13 0.08 0.02 0.00 0.00 175.26 175.36 1ozb s VAL 87 N 0.35 1.04 -0.57 2.63 1.01 0.16 -0.89 120.40 124.14 1ozb s VAL 87 Ca -0.15 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.35 1ozb s VAL 87 Cb -0.16 -0.90 0.14 0.00 0.00 0.00 0.00 36.38 35.46 1ozb s VAL 87 CO 0.06 0.31 0.32 -0.75 0.00 0.00 0.00 175.10 175.04 1ozb s LYS 88 N 0.00 2.12 -0.11 2.72 2.20 0.00 -1.14 119.74 125.54 1ozb s LYS 88 Ca -0.01 -2.78 -0.20 0.00 -0.36 0.00 0.00 55.97 52.62 1ozb s LYS 88 Cb -0.08 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.83 1ozb s LYS 88 CO 0.01 -1.15 0.57 -1.14 -0.36 0.00 0.00 175.35 173.28 1ozb s GLN 89 N -0.54 4.36 0.26 4.03 2.00 -0.27 -1.55 119.66 127.95 1ozb s GLN 89 Ca 0.19 0.62 0.03 0.00 -2.00 0.00 0.00 55.36 54.19 1ozb s GLN 89 Cb -0.21 -3.46 -0.05 0.00 0.80 0.00 0.00 33.01 30.09 1ozb s GLN 89 CO -0.04 0.08 0.04 0.00 -0.50 0.00 0.00 175.29 174.87 1ozb s ALA 90 N 0.82 1.88 -0.10 1.58 0.00 -0.02 0.72 121.76 126.64 1ozb s ALA 90 Ca 0.30 -1.85 -0.22 0.00 0.00 0.00 0.00 51.96 50.19 1ozb s ALA 90 Cb -0.16 0.69 0.05 0.00 0.00 0.00 0.00 23.12 23.70 1ozb s ALA 90 CO 0.13 -0.32 0.54 0.20 0.00 0.00 0.00 175.76 176.31 1ozb s GLY 91 N -3.34 -0.41 -0.24 0.00 0.00 -0.41 -1.20 107.32 101.72 1ozb s GLY 91 Ca 0.33 1.16 -0.08 0.00 0.00 0.00 0.00 44.72 46.12 1ozb s GLY 91 CO 0.11 0.89 0.10 0.14 0.00 0.00 0.00 173.10 174.34 1ozb s VAL 92 N -0.67 4.65 0.15 1.40 1.01 0.49 -0.67 120.40 126.76 1ozb s VAL 92 Ca -0.08 -0.06 0.11 0.00 0.00 0.00 0.00 61.98 61.95 1ozb s VAL 92 Cb -0.03 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1ozb s VAL 92 CO 0.05 0.34 -0.25 -0.36 0.00 0.00 0.00 175.10 174.88 1ozb s PHE 93 N 1.38 2.23 -0.38 5.22 0.40 0.81 -0.23 117.98 127.41 1ozb s PHE 93 Ca 0.06 -0.38 -0.14 0.00 -0.60 0.00 0.00 56.93 55.87 1ozb s PHE 93 Cb -0.15 -1.17 0.01 0.00 0.51 0.00 0.00 43.02 42.22 1ozb s PHE 93 CO 0.05 0.37 0.27 0.99 0.70 0.00 0.00 175.22 177.60 1ozb s THR 94 N -1.30 5.22 -0.05 0.64 2.01 0.50 -0.83 115.64 121.83 1ozb s THR 94 Ca 0.15 -0.52 0.03 0.00 0.31 0.00 0.00 61.69 61.66 1ozb s THR 94 Cb -0.09 -3.83 0.01 0.00 0.01 0.00 0.00 72.50 68.60 1ozb s THR 94 CO 0.07 -0.20 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.05 1ozb s ILE 95 N 1.69 1.05 -0.04 1.82 1.01 -0.04 -1.04 121.20 125.65 1ozb s ILE 95 Ca 0.05 -0.47 -0.30 0.00 0.00 0.00 0.00 60.65 59.93 1ozb s ILE 95 Cb -0.18 -0.95 0.08 0.00 0.01 0.00 0.00 42.46 41.42 1ozb s ILE 95 CO 0.10 0.33 0.74 -0.94 0.00 0.00 0.00 174.94 175.16 1ozb s SER 96 N 0.40 -0.58 0.00 3.58 1.04 -0.76 -4.61 113.70 112.77 1ozb s SER 96 Ca -0.09 0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.88 1ozb s SER 96 Cb -0.13 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1ozb s SER 96 CO 0.02 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.24 1ozb n GLY 97 N 0.66 0.96 3.06 7.32 0.00 -1.26 -1.17 105.19 114.75 1ozb n GLY 97 Ca -0.17 -0.50 -0.18 0.00 0.00 0.00 0.00 46.02 45.17 1ozb n GLY 97 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ozb s LEU 98 N -0.64 2.11 0.61 0.99 1.43 -1.26 -4.41 118.68 117.52 1ozb s LEU 98 Ca 0.00 -0.33 -0.15 0.00 -1.03 0.00 0.00 54.13 52.62 1ozb s LEU 98 Cb 0.00 -0.43 -0.03 0.00 0.03 0.00 0.00 46.19 45.76 1ozb s LEU 98 CO 0.00 0.02 1.06 -0.70 0.23 0.00 0.00 176.35 176.97 1ozb s GLU 99 N -0.77 3.21 0.26 1.70 2.56 -1.26 -4.58 118.70 119.82 1ozb s GLU 99 Ca 0.00 1.20 0.03 0.00 0.00 0.00 0.00 54.97 56.21 1ozb s GLU 99 Cb -0.06 -2.02 0.67 0.00 2.00 0.00 0.00 34.13 34.73 1ozb s GLU 99 CO 0.00 -0.90 1.27 -0.25 -0.56 0.00 0.00 175.26 174.82 1ozb n ASP 100 N -2.19 -0.05 -0.04 -1.70 10.43 -1.26 -0.29 116.55 121.44 1ozb n ASP 100 Ca 0.09 1.37 -0.14 0.00 2.57 0.00 0.00 54.79 58.69 1ozb n ASP 100 Cb 0.53 -0.52 -0.08 0.00 1.84 0.00 0.00 41.12 42.89 1ozb n ASP 100 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 1ozb h VAL 101 N 0.00 1.38 -0.44 2.53 2.07 -1.99 -2.14 116.25 117.66 1ozb h VAL 101 Ca 0.51 -1.40 0.07 0.00 0.82 0.00 0.00 66.70 66.70 1ozb h VAL 101 Cb 1.11 2.07 -0.06 0.00 -1.52 0.00 0.00 31.29 32.89 1ozb h VAL 101 CO -0.75 0.40 0.11 1.56 0.02 0.00 0.00 177.57 178.91 1ozb h GLN 102 N -0.16 0.24 -0.70 1.57 1.08 -0.99 -1.60 115.11 114.55 1ozb h GLN 102 Ca 0.01 -0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.13 1ozb h GLN 102 Cb 0.72 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 28.06 1ozb h GLN 102 CO 0.04 0.16 0.19 1.98 -0.95 0.00 0.00 178.83 180.24 1ozb h MET 103 N 0.25 1.10 -0.54 1.46 4.05 -0.97 -1.63 114.93 118.66 1ozb h MET 103 Ca 0.21 -0.26 -0.03 0.00 -0.28 0.00 0.00 59.70 59.34 1ozb h MET 103 Cb 0.25 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 30.87 1ozb h MET 103 CO -0.26 0.97 0.19 0.00 0.23 0.00 0.00 176.91 178.04 1ozb h ALA 104 N 1.09 1.33 -0.37 0.39 0.00 -0.80 -0.32 119.26 120.57 1ozb h ALA 104 Ca 0.22 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1ozb h ALA 104 Cb 0.35 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1ozb h ALA 104 CO -0.00 0.49 -0.36 1.25 0.00 0.00 0.00 179.25 180.63 1ozb h HIS 105 N 0.77 1.02 -0.52 0.00 6.17 -1.01 -1.66 115.15 119.92 1ozb h HIS 105 Ca 0.18 -0.29 -0.08 0.00 0.71 0.00 0.00 60.37 60.89 1ozb h HIS 105 Cb 0.19 -0.22 -0.02 0.00 2.52 0.00 0.00 27.41 29.88 1ozb h HIS 105 CO 0.01 1.09 0.02 0.00 0.71 0.00 0.00 177.93 179.76 1ozb h LEU 107 N 0.81 0.00 0.00 0.00 3.38 -0.99 -0.59 115.31 117.92 1ozb h LEU 107 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1ozb h LEU 107 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1ozb h LEU 107 CO 0.02 0.32 -0.74 0.35 0.09 0.00 0.00 178.44 178.48 1ozb n THR 108 N -2.99 0.00 0.09 0.22 -2.24 -0.63 -4.53 114.28 104.20 1ozb n THR 108 Ca -0.01 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1ozb n THR 108 Cb 0.69 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.85 1ozb n THR 108 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1ozb n SER 109 N -1.38 0.35 0.10 3.42 2.88 0.22 -4.67 113.62 114.55 1ozb n SER 109 Ca 0.02 0.30 -0.15 0.00 -1.33 0.00 0.00 58.87 57.72 1ozb n SER 109 Cb 0.23 0.07 -0.09 0.00 -0.75 0.00 0.00 64.21 63.67 1ozb n SER 109 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1ozb h GLN 110 N 0.00 -0.66 0.15 -1.46 4.20 -1.35 -0.57 115.11 115.42 1ozb h GLN 110 Ca 0.00 0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1ozb h GLN 110 Cb 0.00 0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1ozb h GLN 110 CO 0.00 -0.44 -0.07 0.00 -0.67 0.00 0.00 178.83 177.65 1ozb h PRO 112 N -0.29 0.56 -0.30 0.00 0.11 -1.78 0.18 132.00 130.49 1ozb h PRO 112 Ca -0.02 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.99 1ozb h PRO 112 Cb 0.23 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 1ozb h PRO 112 CO 0.03 0.37 -0.10 -0.97 -0.21 0.00 0.00 178.00 177.13 1ozb h ASN 113 N 0.58 0.48 0.48 -2.05 -0.73 -0.70 -0.06 115.58 113.57 1ozb h ASN 113 Ca 0.41 -0.11 -0.13 0.00 1.87 0.00 0.00 56.30 58.34 1ozb h ASN 113 Cb 0.76 -0.13 -0.02 0.00 0.27 0.00 0.00 38.32 39.20 1ozb h ASN 113 CO -0.16 0.61 -0.57 0.24 -0.37 0.00 0.00 177.43 177.18 1ozb h MET 114 N 0.46 0.10 0.00 6.67 2.86 -0.12 -3.18 114.93 121.72 1ozb h MET 114 Ca 0.09 -0.06 -0.19 0.00 -2.06 0.00 0.00 59.70 57.48 1ozb h MET 114 Cb 0.45 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.09 1ozb h MET 114 CO 0.02 0.64 -0.90 -0.07 1.06 0.00 0.00 176.91 177.67 1ozb h LEU 115 N 0.07 0.00 -0.18 1.22 3.38 -0.58 -3.39 115.31 115.84 1ozb h LEU 115 Ca -0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1ozb h LEU 115 Cb 1.03 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.71 1ozb h LEU 115 CO 0.08 0.90 -0.51 0.15 0.09 0.00 0.00 178.44 179.15 1ozb h PHE 116 N 0.00 -1.50 -0.84 1.13 3.57 -1.01 -1.20 116.94 117.09 1ozb h PHE 116 Ca -0.01 0.06 0.23 0.00 3.53 0.00 0.00 57.97 61.78 1ozb h PHE 116 Cb 1.64 0.68 -0.04 0.00 2.79 0.00 0.00 35.95 41.02 1ozb h PHE 116 CO 0.00 -0.52 0.59 -1.00 -2.23 0.00 0.00 178.31 175.15 1ozb h PRO 117 N -0.53 0.11 -0.12 6.41 0.13 -1.75 0.33 132.00 136.58 1ozb h PRO 117 Ca 0.06 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.16 1ozb h PRO 117 Cb 0.66 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.76 1ozb h PRO 117 CO -0.46 0.08 -0.00 1.88 -0.23 0.00 0.00 178.00 179.27 1ozb h TYR 118 N 0.12 0.24 -0.78 1.56 -1.99 -1.47 -1.78 116.97 112.86 1ozb h TYR 118 Ca 0.41 -0.04 -0.05 0.00 2.00 0.00 0.00 58.73 61.06 1ozb h TYR 118 Cb 1.45 -0.06 -0.03 0.00 2.00 0.00 0.00 36.73 40.08 1ozb h TYR 118 CO -0.00 0.46 0.31 0.00 -0.00 0.00 0.00 178.16 178.92 1ozb h ALA 119 N 0.75 1.07 -0.27 3.88 0.00 -0.33 -2.12 119.26 122.24 1ozb h ALA 119 Ca 0.03 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.78 1ozb h ALA 119 Cb 0.37 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1ozb h ALA 119 CO 0.01 0.66 0.08 -0.09 0.00 0.00 0.00 179.25 179.90 1ozb h ARG 120 N 1.13 0.18 -0.34 0.00 2.43 -0.30 -0.57 114.38 116.91 1ozb h ARG 120 Ca 0.26 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.38 1ozb h ARG 120 Cb 0.22 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1ozb h ARG 120 CO -0.02 0.12 0.04 1.49 -1.51 0.00 0.00 179.97 180.09 1ozb h GLU 121 N 0.19 0.52 -0.32 0.20 4.22 -1.10 -0.39 114.58 117.90 1ozb h GLU 121 Ca 0.12 -0.09 -0.13 0.00 0.08 0.00 0.00 59.36 59.34 1ozb h GLU 121 Cb 0.10 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1ozb h GLU 121 CO -0.14 0.51 -0.30 1.25 -2.18 0.00 0.00 179.01 178.15 1ozb h LEU 122 N 0.50 0.81 -0.17 1.64 5.85 -0.72 -0.04 115.31 123.19 1ozb h LEU 122 Ca 0.11 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 1ozb h LEU 122 Cb 0.26 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1ozb h LEU 122 CO 0.00 1.11 0.06 0.58 -0.34 0.00 0.00 178.44 179.85 1ozb h VAL 123 N 0.53 1.17 -0.78 1.05 2.07 -0.68 -1.86 116.25 117.74 1ozb h VAL 123 Ca 0.05 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 1ozb h VAL 123 Cb 0.87 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 1ozb h VAL 123 CO 0.07 0.16 0.42 0.77 0.02 0.00 0.00 177.57 179.01 1ozb h SER 124 N 0.11 0.98 0.18 0.57 4.64 -1.00 -1.32 113.55 117.71 1ozb h SER 124 Ca 0.06 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1ozb h SER 124 Cb 0.19 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1ozb h SER 124 CO -0.00 0.79 -0.09 -1.13 -0.87 0.00 0.00 176.83 175.53 1ozb h ASN 125 N 1.10 -0.20 -0.56 4.97 -0.73 -0.80 -1.52 115.58 117.82 1ozb h ASN 125 Ca 0.28 -0.02 -0.02 0.00 1.87 0.00 0.00 56.30 58.41 1ozb h ASN 125 Cb 0.04 0.05 -0.03 0.00 0.27 0.00 0.00 38.32 38.66 1ozb h ASN 125 CO -0.04 -0.12 0.26 -0.07 -0.37 0.00 0.00 177.43 177.09 1ozb h LEU 126 N -0.27 0.75 -0.51 0.34 3.38 -1.13 -2.22 115.31 115.65 1ozb h LEU 126 Ca -0.02 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1ozb h LEU 126 Cb 0.21 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1ozb h LEU 126 CO 0.04 0.68 0.27 0.58 0.09 0.00 0.00 178.44 180.09 1ozb h VAL 127 N 0.77 1.18 -0.41 1.22 2.07 -1.14 -1.74 116.25 118.20 1ozb h VAL 127 Ca 0.19 -0.48 0.03 0.00 0.82 0.00 0.00 66.70 67.26 1ozb h VAL 127 Cb 0.13 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1ozb h VAL 127 CO -0.02 0.20 0.28 -1.13 0.02 0.00 0.00 177.57 176.91 1ozb h ASN 128 N 0.67 0.39 0.85 0.57 -1.24 -1.08 0.06 115.58 115.81 1ozb h ASN 128 Ca 0.18 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.18 1ozb h ASN 128 Cb 0.07 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.03 1ozb h ASN 128 CO -0.03 0.27 0.00 0.03 -1.29 0.00 0.00 177.43 176.41 1ozb h ARG 129 N 0.45 0.00 -0.42 6.67 3.08 -0.69 -0.04 114.38 123.42 1ozb h ARG 129 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1ozb h ARG 129 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1ozb h ARG 129 CO -0.04 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.27 1ozb n GLY 130 N -0.12 1.23 3.79 0.04 0.00 -0.00 -4.92 105.19 105.20 1ozb n GLY 130 Ca 0.00 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 45.19 1ozb n GLY 130 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ozb n THR 131 N 0.94 -2.63 -3.95 2.61 -2.24 -0.03 -5.00 114.28 103.98 1ozb n THR 131 Ca 0.17 -0.05 -0.25 0.00 -2.27 0.00 0.00 64.05 61.65 1ozb n THR 131 Cb 0.44 -3.34 -0.03 0.00 -2.10 0.00 0.00 70.33 65.30 1ozb n THR 131 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1ozb s PHE 132 N -3.34 3.47 0.45 4.78 0.40 -1.13 -5.04 117.98 117.57 1ozb s PHE 132 Ca 0.57 0.08 -0.25 0.00 -0.60 0.00 0.00 56.93 56.73 1ozb s PHE 132 Cb -0.28 -1.64 -0.08 0.00 0.51 0.00 0.00 43.02 41.53 1ozb s PHE 132 CO 0.79 0.50 1.40 -1.25 0.70 0.00 0.00 175.22 177.37 1ozb s PRO 133 N -3.42 3.69 0.12 0.24 0.04 -1.26 -4.50 135.00 129.91 1ozb s PRO 133 Ca 0.34 2.37 -0.26 0.00 0.04 0.00 0.00 61.00 63.49 1ozb s PRO 133 Cb -0.11 -2.64 -0.15 0.00 0.04 0.00 0.00 34.50 31.65 1ozb s PRO 133 CO 0.29 -0.79 0.55 0.00 0.04 0.00 0.00 177.00 177.08 1ozb n ALA 134 N -0.20 -2.68 -3.69 8.56 0.00 -1.26 -4.92 120.51 116.31 1ozb n ALA 134 Ca 0.05 0.40 -0.29 0.00 0.00 0.00 0.00 53.44 53.60 1ozb n ALA 134 Cb 0.42 -1.34 -0.15 0.00 0.00 0.00 0.00 19.45 18.38 1ozb n ALA 134 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1ozb s LEU 135 N 1.73 1.57 -0.40 0.00 2.96 -1.26 -5.08 118.68 118.20 1ozb s LEU 135 Ca 0.58 -1.34 -0.05 0.00 -0.22 0.00 0.00 54.13 53.10 1ozb s LEU 135 Cb -0.84 -0.68 0.10 0.00 0.50 0.00 0.00 46.19 45.28 1ozb s LEU 135 CO 0.46 -0.39 0.20 0.20 -1.32 0.00 0.00 176.35 175.50 1ozb s ASN 136 N 1.79 5.33 0.12 3.68 0.01 -1.26 -4.04 114.94 120.57 1ozb s ASN 136 Ca 0.07 -1.82 -0.34 0.00 -0.71 0.00 0.00 52.86 50.05 1ozb s ASN 136 Cb -0.17 -1.86 -0.17 0.00 0.41 0.00 0.00 41.25 39.46 1ozb s ASN 136 CO -0.23 -0.52 1.12 0.18 -1.51 0.00 0.00 177.10 176.13 1ozb n LEU 137 N 4.69 0.98 -4.77 0.60 4.77 -1.26 -4.92 117.00 117.10 1ozb n LEU 137 Ca -0.06 1.14 -0.34 0.00 -0.03 0.00 0.00 56.01 56.72 1ozb n LEU 137 Cb 0.42 -1.13 0.03 0.00 -2.33 0.00 0.00 43.42 40.41 1ozb n LEU 137 CO 0.34 -1.53 0.76 -0.44 -1.33 0.00 0.00 177.39 175.19 1ozb s SER 138 N -0.01 5.32 0.36 -1.43 0.01 -1.26 -4.95 113.70 111.74 1ozb s SER 138 Ca 0.78 2.09 -0.26 0.00 1.31 0.00 0.00 55.95 59.87 1ozb s SER 138 Cb -0.96 -2.57 -0.12 0.00 0.21 0.00 0.00 66.02 62.58 1ozb s SER 138 CO 0.52 -1.49 1.05 -2.65 0.41 0.00 0.00 173.24 171.08 1ozb n PRO 139 N -1.96 1.47 -4.60 12.44 -0.02 -1.26 -4.98 135.00 136.09 1ozb n PRO 139 Ca 0.11 0.52 -0.33 0.00 -2.02 0.00 0.00 63.50 61.78 1ozb n PRO 139 Cb 0.51 -2.00 -0.13 0.00 -0.02 0.00 0.00 33.50 31.86 1ozb n PRO 139 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ozb s VAL 140 N -1.16 3.40 -0.76 -1.45 1.01 -1.26 -5.05 120.40 115.12 1ozb s VAL 140 Ca 0.60 -0.54 -0.21 0.00 0.00 0.00 0.00 61.98 61.84 1ozb s VAL 140 Cb -0.62 -2.46 0.10 0.00 0.00 0.00 0.00 36.38 33.40 1ozb s VAL 140 CO 0.59 0.51 1.01 0.21 0.00 0.00 0.00 175.10 177.41 1ozb s ASN 141 N 0.39 6.35 0.19 3.32 3.84 -1.26 -4.88 114.94 122.89 1ozb s ASN 141 Ca -0.08 -1.44 0.21 0.00 0.21 0.00 0.00 52.86 51.76 1ozb s ASN 141 Cb -0.15 -2.40 0.88 0.00 -0.55 0.00 0.00 41.25 39.03 1ozb s ASN 141 CO 0.04 -1.27 1.63 0.49 -2.79 0.00 0.00 177.10 175.20 1ozb n PHE 142 N 7.14 0.59 0.23 0.43 3.01 -1.26 -2.41 117.46 125.19 1ozb n PHE 142 Ca 0.07 0.24 0.09 0.00 1.01 0.00 0.00 57.45 58.86 1ozb n PHE 142 Cb 0.47 -0.88 0.57 0.00 -0.01 0.00 0.00 39.48 39.62 1ozb n PHE 142 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1ozb h ASP 143 N 0.00 0.00 -0.18 4.37 3.32 -1.90 -0.28 116.42 121.75 1ozb h ASP 143 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1ozb h ASP 143 Cb 0.30 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1ozb h ASP 143 CO 0.00 0.21 -0.08 0.00 -1.72 0.00 0.00 179.24 177.65 1ozb h ALA 144 N 1.79 1.28 0.00 3.45 0.00 -1.90 -0.92 119.26 122.97 1ozb h ALA 144 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1ozb h ALA 144 Cb 0.51 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1ozb h ALA 144 CO 0.03 0.48 0.00 1.28 0.00 0.00 0.00 179.25 181.03 1ozb n LEU 145 N -4.23 0.39 -0.02 0.00 4.77 -0.16 -3.02 117.00 114.73 1ozb n LEU 145 Ca 0.01 0.55 -0.20 0.00 -0.03 0.00 0.00 56.01 56.34 1ozb n LEU 145 Cb 0.29 -0.45 -0.13 0.00 -2.33 0.00 0.00 43.42 40.80 1ozb n LEU 145 CO 0.40 -0.19 -0.32 0.15 -1.33 0.00 0.00 177.39 176.09 1ozb h PHE 146 N 0.00 0.30 -0.85 -1.77 3.57 -0.71 -3.07 116.94 114.41 1ozb h PHE 146 Ca 0.00 -0.22 0.08 0.00 3.53 0.00 0.00 57.97 61.36 1ozb h PHE 146 Cb 0.52 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.19 1ozb h PHE 146 CO 0.00 1.46 0.55 0.28 -2.23 0.00 0.00 178.31 178.37 1ozb h VAL 147 N -0.54 1.02 -0.29 1.41 2.07 -1.40 -1.35 116.25 117.17 1ozb h VAL 147 Ca -0.27 -0.31 -0.08 0.00 0.82 0.00 0.00 66.70 66.86 1ozb h VAL 147 Cb 1.56 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1ozb h VAL 147 CO -0.00 0.16 -0.13 -0.33 0.02 0.00 0.00 177.57 177.29 1ozb h GLU 148 N 0.90 0.61 -0.95 1.57 5.08 -1.66 -3.20 114.58 116.92 1ozb h GLU 148 Ca 0.37 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1ozb h GLU 148 Cb 0.29 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 1ozb h GLU 148 CO -0.14 0.84 0.58 -0.92 -1.00 0.00 0.00 179.01 178.37 1ozb h TYR 149 N 0.36 1.25 -0.33 4.33 3.20 -1.22 -3.07 116.97 121.49 1ozb h TYR 149 Ca 0.07 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.97 1ozb h TYR 149 Cb 0.65 -0.41 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 1ozb h TYR 149 CO 0.06 0.83 0.13 0.52 -1.64 0.00 0.00 178.16 178.06 1ozb h MET 150 N 1.31 0.28 0.00 1.82 2.86 -1.27 -3.51 114.93 116.41 1ozb h MET 150 Ca 0.34 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 1ozb h MET 150 Cb -0.07 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.53 1ozb h MET 150 CO -0.07 0.18 0.00 0.09 1.06 0.00 0.00 176.91 178.18