#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ozb s LEU 18 N 0.00 -0.37 0.03 7.52 2.96 -1.24 -1.47 118.68 126.11 1ozb s LEU 18 Ca 0.00 -0.52 0.06 0.00 -0.22 0.00 0.00 54.13 53.45 1ozb s LEU 18 Cb 0.00 0.67 -0.02 0.00 0.50 0.00 0.00 46.19 47.34 1ozb s LEU 18 CO 0.00 -0.37 -0.17 -1.58 -1.32 0.00 0.00 176.35 172.91 1ozb s GLN 19 N 2.41 1.20 -0.26 1.98 2.00 -0.36 -4.96 119.66 121.67 1ozb s GLN 19 Ca 0.10 -0.81 -0.19 0.00 -2.00 0.00 0.00 55.36 52.46 1ozb s GLN 19 Cb -0.14 -1.25 -0.02 0.00 0.80 0.00 0.00 33.01 32.40 1ozb s GLN 19 CO -0.28 0.32 0.57 -1.50 -0.50 0.00 0.00 175.29 173.90 1ozb s ILE 20 N -0.74 5.03 -0.16 -2.34 1.10 -1.26 -0.16 121.20 122.67 1ozb s ILE 20 Ca 0.05 0.99 -0.05 0.00 -0.51 0.00 0.00 60.65 61.13 1ozb s ILE 20 Cb -0.08 -3.88 -0.24 0.00 0.15 0.00 0.00 42.46 38.41 1ozb s ILE 20 CO 0.01 0.05 0.21 1.67 -2.11 0.00 0.00 174.94 174.78 1ozb n GLN 21 N 5.63 0.73 -3.60 3.50 7.27 0.96 -4.96 117.38 126.89 1ozb n GLN 21 Ca -0.02 0.25 -0.13 0.00 0.07 0.00 0.00 57.00 57.16 1ozb n GLN 21 Cb 0.49 -1.66 -0.07 0.00 2.41 0.00 0.00 30.24 31.41 1ozb n GLN 21 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 1ozb s ARG 22 N -2.54 0.77 -0.13 3.69 3.52 -1.14 -4.96 118.95 118.16 1ozb s ARG 22 Ca -0.26 0.65 0.02 0.00 -0.13 0.00 0.00 55.73 56.02 1ozb s ARG 22 Cb 0.07 0.37 0.01 0.00 -1.56 0.00 0.00 34.95 33.84 1ozb s ARG 22 CO 0.72 -0.15 -0.20 0.42 -0.81 0.00 0.00 175.30 175.28 1ozb s ILE 23 N -0.14 1.90 0.21 4.11 1.01 -1.26 -0.20 121.20 126.82 1ozb s ILE 23 Ca -0.02 -0.89 -0.13 0.00 0.00 0.00 0.00 60.65 59.62 1ozb s ILE 23 Cb -0.03 -1.69 0.00 0.00 0.01 0.00 0.00 42.46 40.75 1ozb s ILE 23 CO 0.01 0.52 0.42 -0.72 0.00 0.00 0.00 174.94 175.17 1ozb s TYR 24 N 0.80 0.26 -0.19 3.97 -0.85 -0.46 -5.00 117.35 115.88 1ozb s TYR 24 Ca -0.09 -0.62 -0.09 0.00 -0.52 0.00 0.00 57.07 55.76 1ozb s TYR 24 Cb -0.16 0.15 -0.05 0.00 0.38 0.00 0.00 41.96 42.29 1ozb s TYR 24 CO -0.00 -0.88 0.11 0.08 -1.52 0.00 0.00 175.55 173.34 1ozb s VAL 25 N -3.97 5.24 -0.17 -3.49 1.01 -1.26 -0.79 120.40 116.97 1ozb s VAL 25 Ca 0.17 0.13 0.11 0.00 0.00 0.00 0.00 61.98 62.39 1ozb s VAL 25 Cb 0.01 -3.37 -0.23 0.00 0.00 0.00 0.00 36.38 32.79 1ozb s VAL 25 CO 0.03 0.46 0.16 0.29 0.00 0.00 0.00 175.10 176.04 1ozb n LYS 26 N 3.37 0.68 -3.71 2.72 5.02 -0.56 -4.97 118.16 120.71 1ozb n LYS 26 Ca -0.17 0.12 -0.13 0.00 -2.02 0.00 0.00 58.31 56.11 1ozb n LYS 26 Cb 0.52 -1.60 -0.09 0.00 -0.02 0.00 0.00 35.03 33.84 1ozb n LYS 26 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ozb s ASP 27 N -5.99 -0.48 -0.05 4.39 2.15 -1.23 -5.02 116.67 110.43 1ozb s ASP 27 Ca -0.15 0.91 -0.05 0.00 0.43 0.00 0.00 52.55 53.68 1ozb s ASP 27 Cb 0.07 0.93 0.01 0.00 -0.30 0.00 0.00 42.92 43.63 1ozb s ASP 27 CO 0.77 -0.19 0.15 -0.69 -0.17 0.00 0.00 175.17 175.04 1ozb s VAL 28 N 0.14 0.00 -0.13 1.11 1.01 -1.26 -1.16 120.40 120.11 1ozb s VAL 28 Ca -0.01 -0.04 -0.07 0.00 0.00 0.00 0.00 61.98 61.86 1ozb s VAL 28 Cb -0.03 -0.23 0.05 0.00 0.00 0.00 0.00 36.38 36.17 1ozb s VAL 28 CO 0.01 -0.02 0.32 -0.55 0.00 0.00 0.00 175.10 174.86 1ozb s SER 29 N 0.01 -0.37 -0.04 3.32 0.15 0.20 -4.99 113.70 111.98 1ozb s SER 29 Ca -0.01 0.68 -0.00 0.00 0.70 0.00 0.00 55.95 57.32 1ozb s SER 29 Cb -0.01 0.57 0.03 0.00 -1.71 0.00 0.00 66.02 64.89 1ozb s SER 29 CO 0.00 -0.17 0.00 0.12 1.20 0.00 0.00 173.24 174.39 1ozb s PHE 30 N 1.20 0.39 -0.01 3.44 5.36 -1.26 -0.22 117.98 126.88 1ozb s PHE 30 Ca -0.08 -0.02 0.00 0.00 -0.96 0.00 0.00 56.93 55.87 1ozb s PHE 30 Cb -0.09 -0.50 0.02 0.00 -0.34 0.00 0.00 43.02 42.11 1ozb s PHE 30 CO -0.09 -0.17 0.01 -1.83 -1.46 0.00 0.00 175.22 171.68 1ozb s GLU 31 N 1.26 0.07 -0.48 10.12 -1.05 0.15 -4.98 118.70 123.78 1ozb s GLU 31 Ca -0.06 0.07 0.04 0.00 -0.15 0.00 0.00 54.97 54.87 1ozb s GLU 31 Cb -0.13 -0.21 0.16 0.00 -0.44 0.00 0.00 34.13 33.51 1ozb s GLU 31 CO -0.02 -0.08 0.35 0.00 0.95 0.00 0.00 175.26 176.46 1ozb s ALA 32 N 0.60 2.06 0.23 -0.84 0.00 -1.26 -0.57 121.76 121.97 1ozb s ALA 32 Ca -0.05 -2.76 -0.07 0.00 0.00 0.00 0.00 51.96 49.08 1ozb s ALA 32 Cb -0.08 -1.78 0.29 0.00 0.00 0.00 0.00 23.12 21.56 1ozb s ALA 32 CO -0.01 -2.03 1.83 -1.35 0.00 0.00 0.00 175.76 174.20 1ozb h PRO 33 N 5.87 0.82 -1.47 0.00 0.11 -1.84 -3.28 132.00 132.22 1ozb h PRO 33 Ca 0.18 -0.05 -0.36 0.00 0.11 0.00 0.00 66.00 65.88 1ozb h PRO 33 Cb 0.88 -0.19 -0.15 0.00 0.11 0.00 0.00 31.00 31.65 1ozb h PRO 33 CO 0.46 0.54 0.46 0.09 -0.21 0.00 0.00 178.00 179.34 1ozb n ASN 34 N -4.69 6.53 -4.92 -2.05 3.02 -1.26 -4.92 115.26 106.96 1ozb n ASN 34 Ca 0.11 -3.13 -0.30 0.00 -0.03 0.00 0.00 54.58 51.22 1ozb n ASN 34 Cb 0.18 -1.04 -0.04 0.00 -0.61 0.00 0.00 39.78 38.26 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 -2.00 4.35 0.02 3.41 1.43 -1.24 -0.84 118.68 123.82 1ozb s LEU 35 Ca 0.34 0.25 0.25 0.00 -1.03 0.00 0.00 54.13 53.94 1ozb s LEU 35 Cb 0.27 -2.95 0.44 0.00 0.03 0.00 0.00 46.19 43.98 1ozb s LEU 35 CO -0.00 0.15 1.37 -0.81 0.23 0.00 0.00 176.35 177.29 1ozb n PRO 36 N 0.17 0.07 -0.21 1.29 -0.04 -1.26 -4.89 135.00 130.13 1ozb n PRO 36 Ca -0.05 0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.54 1ozb n PRO 36 Cb 0.51 -1.54 0.42 0.00 -0.04 0.00 0.00 33.50 32.85 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 0.00 0.68 -0.11 0.54 2.07 -1.98 -1.89 115.15 114.45 1ozb h HIS 37 Ca 0.00 0.02 0.03 0.00 -2.85 0.00 0.00 60.37 57.57 1ozb h HIS 37 Cb 0.56 -0.22 -0.00 0.00 2.57 0.00 0.00 27.41 30.32 1ozb h HIS 37 CO 0.00 0.28 0.30 0.97 -3.07 0.00 0.00 177.93 176.42 1ozb h ILE 38 N 0.61 0.15 0.00 6.12 6.09 -1.33 0.25 117.51 129.39 1ozb h ILE 38 Ca 0.38 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.87 1ozb h ILE 38 Cb 0.64 0.72 0.00 0.00 0.47 0.00 0.00 36.82 38.65 1ozb h ILE 38 CO -0.15 0.00 0.00 0.49 -3.07 0.00 0.00 178.15 175.42 1ozb n PHE 39 N -3.21 0.00 0.64 2.19 0.99 -0.71 -2.36 117.46 115.00 1ozb n PHE 39 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.56 1ozb n PHE 39 Cb 0.39 -0.26 0.00 0.00 -1.00 0.00 0.00 39.48 38.61 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 -1.26 0.24 -1.88 -1.08 6.02 0.86 -4.94 117.38 115.35 1ozb n GLN 40 Ca 0.09 -0.02 -0.30 0.00 -0.01 0.00 0.00 57.00 56.77 1ozb n GLN 40 Cb 0.14 -1.56 0.04 0.00 1.02 0.00 0.00 30.24 29.88 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 -3.17 2.91 -0.01 -1.09 -0.21 -0.99 -5.00 119.66 112.10 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 0.15 -2.02 -0.04 0.00 1.00 0.00 0.00 33.01 32.09 1ozb s GLN 41 CO 0.81 -1.00 1.26 -1.21 -2.12 0.00 0.00 175.29 173.03 1ozb s GLU 42 N -5.34 4.35 -1.18 2.91 2.02 -1.26 -4.91 118.70 115.29 1ozb s GLU 42 Ca 0.58 1.78 -0.22 0.00 0.02 0.00 0.00 54.97 57.13 1ozb s GLU 42 Cb -0.11 -3.51 -0.06 0.00 0.10 0.00 0.00 34.13 30.55 1ozb s GLU 42 CO 0.52 -0.45 1.90 -0.46 0.02 0.00 0.00 175.26 176.79 1ozb s TRP 43 N 2.02 2.07 -0.76 1.61 -0.11 -1.26 -4.77 118.94 117.74 1ozb s TRP 43 Ca 0.59 0.16 0.01 0.00 1.22 0.00 0.00 56.10 58.08 1ozb s TRP 43 Cb -0.28 -4.12 0.19 0.00 -1.50 0.00 0.00 33.47 27.76 1ozb s TRP 43 CO 0.25 -1.34 0.59 0.15 -4.62 0.00 0.00 176.95 171.97 1ozb s LYS 44 N 6.17 2.77 0.29 5.86 1.02 -1.26 -5.08 119.74 129.50 1ozb s LYS 44 Ca 0.66 -3.18 -0.29 0.00 0.02 0.00 0.00 55.97 53.18 1ozb s LYS 44 Cb -0.01 -3.66 -0.10 0.00 -0.52 0.00 0.00 37.83 33.54 1ozb s LYS 44 CO 0.11 -1.25 1.19 -1.25 -0.92 0.00 0.00 175.35 173.23 1ozb s PRO 45 N -1.18 4.52 -0.24 -1.68 0.04 -1.26 -0.88 135.00 134.31 1ozb s PRO 45 Ca 0.24 1.98 0.02 0.00 0.04 0.00 0.00 61.00 63.28 1ozb s PRO 45 Cb -0.09 -3.15 0.06 0.00 0.04 0.00 0.00 34.50 31.36 1ozb s PRO 45 CO -0.12 0.03 -0.07 0.15 0.04 0.00 0.00 177.00 177.02 1ozb s LYS 46 N -1.47 1.86 -0.22 4.56 1.02 0.16 -4.86 119.74 120.79 1ozb s LYS 46 Ca 0.47 -1.12 -0.16 0.00 0.02 0.00 0.00 55.97 55.17 1ozb s LYS 46 Cb -0.35 -2.70 -0.04 0.00 -0.52 0.00 0.00 37.83 34.22 1ozb s LYS 46 CO 0.45 -0.59 0.43 -1.17 -0.92 0.00 0.00 175.35 173.55 1ozb s LEU 47 N 1.28 4.12 -0.22 3.17 2.96 -1.26 -1.36 118.68 127.38 1ozb s LEU 47 Ca -0.07 0.51 -0.06 0.00 -0.22 0.00 0.00 54.13 54.29 1ozb s LEU 47 Cb -0.19 -2.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.92 1ozb s LEU 47 CO -0.06 -0.13 0.03 -0.83 -1.32 0.00 0.00 176.35 174.04 1ozb s GLY 48 N 1.20 1.74 -0.15 7.98 0.00 0.23 -4.97 107.32 113.36 1ozb s GLY 48 Ca 0.19 -1.05 0.01 0.00 0.00 0.00 0.00 44.72 43.88 1ozb s GLY 48 CO 0.09 0.37 -0.17 -0.12 0.00 0.00 0.00 173.10 173.27 1ozb s PHE 49 N 1.26 2.36 -0.03 1.90 5.36 -1.26 -0.46 117.98 127.10 1ozb s PHE 49 Ca 0.04 -1.31 0.07 0.00 -0.96 0.00 0.00 56.93 54.78 1ozb s PHE 49 Cb -0.15 -1.68 -0.02 0.00 -0.34 0.00 0.00 43.02 40.83 1ozb s PHE 49 CO 0.02 -0.67 -0.24 -0.51 -1.46 0.00 0.00 175.22 172.35 1ozb s ASP 50 N 1.29 3.19 0.01 6.13 1.01 0.13 -4.98 116.67 123.45 1ozb s ASP 50 Ca 0.02 -0.44 -0.09 0.00 0.71 0.00 0.00 52.55 52.76 1ozb s ASP 50 Cb -0.13 -0.47 0.00 0.00 1.01 0.00 0.00 42.92 43.33 1ozb s ASP 50 CO -0.09 0.31 0.17 -0.22 0.21 0.00 0.00 175.17 175.55 1ozb s LEU 51 N -0.57 1.43 -0.08 1.23 0.20 -1.26 -0.19 118.68 119.44 1ozb s LEU 51 Ca 0.09 -0.20 -0.30 0.00 0.69 0.00 0.00 54.13 54.41 1ozb s LEU 51 Cb -0.11 0.80 0.12 0.00 -0.43 0.00 0.00 46.19 46.57 1ozb s LEU 51 CO -0.00 -0.41 0.98 -0.94 -0.29 0.00 0.00 176.35 175.69 1ozb s SER 52 N -1.50 -0.31 0.18 3.68 1.04 -0.57 -5.02 113.70 111.21 1ozb s SER 52 Ca -0.13 0.08 0.04 0.00 0.48 0.00 0.00 55.95 56.43 1ozb s SER 52 Cb -0.06 0.31 -0.05 0.00 0.10 0.00 0.00 66.02 66.32 1ozb s SER 52 CO 0.01 -0.47 -0.07 0.42 0.98 0.00 0.00 173.24 174.11 1ozb s THR 53 N -2.53 1.17 -0.17 2.02 -4.23 -1.26 0.24 115.64 110.87 1ozb s THR 53 Ca 0.05 -2.06 -0.17 0.00 -1.18 0.00 0.00 61.69 58.32 1ozb s THR 53 Cb -0.01 -2.05 0.05 0.00 1.34 0.00 0.00 72.50 71.83 1ozb s THR 53 CO -0.06 -0.58 0.48 -1.83 -0.54 0.00 0.00 174.62 172.10 1ozb s GLU 54 N -3.78 0.58 0.20 3.99 -1.05 -0.71 -4.99 118.70 112.94 1ozb s GLU 54 Ca 0.22 0.64 0.10 0.00 -0.15 0.00 0.00 54.97 55.77 1ozb s GLU 54 Cb 0.03 0.28 -0.04 0.00 -0.44 0.00 0.00 34.13 33.96 1ozb s GLU 54 CO 0.04 -0.08 -0.14 0.99 0.95 0.00 0.00 175.26 177.03 1ozb s THR 55 N 0.18 2.91 -0.15 1.83 2.01 -1.26 -1.07 115.64 120.09 1ozb s THR 55 Ca -0.01 -1.85 -0.08 0.00 0.31 0.00 0.00 61.69 60.06 1ozb s THR 55 Cb -0.03 -2.45 0.05 0.00 0.01 0.00 0.00 72.50 70.08 1ozb s THR 55 CO 0.01 -0.16 0.36 -0.89 -0.69 0.00 0.00 174.62 173.25 1ozb s THR 56 N -1.81 -0.03 -0.09 -0.82 2.01 -0.62 -4.99 115.64 109.29 1ozb s THR 56 Ca 0.25 0.10 -0.29 0.00 0.31 0.00 0.00 61.69 62.06 1ozb s THR 56 Cb -0.08 -0.53 -0.02 0.00 0.01 0.00 0.00 72.50 71.88 1ozb s THR 56 CO 0.14 0.04 0.97 -1.58 -0.69 0.00 0.00 174.62 173.50 1ozb s GLN 57 N 1.25 4.44 0.00 4.92 0.74 -1.26 -0.09 119.66 129.65 1ozb s GLN 57 Ca -0.09 1.34 0.06 0.00 0.05 0.00 0.00 55.36 56.72 1ozb s GLN 57 Cb -0.08 -3.53 0.15 0.00 1.10 0.00 0.00 33.01 30.65 1ozb s GLN 57 CO -0.10 -0.25 1.09 1.33 -0.55 0.00 0.00 175.29 176.81 1ozb n VAL 58 N 4.41 0.90 -1.95 1.34 0.24 0.40 -4.91 118.33 118.76 1ozb n VAL 58 Ca 0.07 -0.95 0.00 0.00 -2.04 0.00 0.00 64.34 61.42 1ozb n VAL 58 Cb 0.49 0.56 0.00 0.00 -1.47 0.00 0.00 33.84 33.42 1ozb n VAL 58 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ozb n GLY 59 N 0.07 -1.36 3.64 7.63 0.00 -1.04 -4.95 105.19 109.18 1ozb n GLY 59 Ca 0.06 -0.97 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.42 6.66 -0.53 1.61 1.01 -1.26 -2.61 116.67 119.13 1ozb s ASP 60 Ca 0.00 1.41 0.00 0.00 0.71 0.00 0.00 52.55 54.67 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 -1.06 0.00 0.47 0.21 0.00 0.00 175.17 174.79 1ozb n ASP 61 N 7.61 -5.01 -4.29 0.27 10.43 -1.26 -4.96 116.55 119.33 1ozb n ASP 61 Ca 0.15 0.12 -0.35 0.00 2.57 0.00 0.00 54.79 57.29 1ozb n ASP 61 Cb 0.46 -2.95 -0.14 0.00 1.84 0.00 0.00 41.12 40.33 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 -1.13 2.88 0.00 0.64 1.43 -1.07 -0.63 118.68 120.80 1ozb s LEU 62 Ca 0.00 -0.46 0.07 0.00 -1.03 0.00 0.00 54.13 52.71 1ozb s LEU 62 Cb 0.00 -1.72 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 1ozb s LEU 62 CO 0.00 -0.03 -0.21 -0.31 0.23 0.00 0.00 176.35 176.03 1ozb s TYR 63 N 1.45 1.87 -0.33 0.29 1.51 0.68 -0.46 117.35 122.37 1ozb s TYR 63 Ca 0.05 -0.36 -0.11 0.00 -1.01 0.00 0.00 57.07 55.64 1ozb s TYR 63 Cb -0.14 -1.18 -0.01 0.00 -0.11 0.00 0.00 41.96 40.52 1ozb s TYR 63 CO -0.04 0.01 0.20 -2.00 -1.11 0.00 0.00 175.55 172.61 1ozb s GLU 64 N -0.69 3.44 -0.18 -0.62 2.12 0.87 0.02 118.70 123.65 1ozb s GLU 64 Ca 0.08 -0.67 -0.07 0.00 0.36 0.00 0.00 54.97 54.67 1ozb s GLU 64 Cb -0.08 -3.71 -0.04 0.00 0.26 0.00 0.00 34.13 30.56 1ozb s GLU 64 CO -0.00 -0.43 0.06 0.08 -0.54 0.00 0.00 175.26 174.43 1ozb s VAL 65 N 1.68 4.76 -0.12 3.70 1.01 -0.03 -1.59 120.40 129.82 1ozb s VAL 65 Ca 0.05 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.02 1ozb s VAL 65 Cb -0.17 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1ozb s VAL 65 CO 0.09 0.46 -0.22 -0.69 0.00 0.00 0.00 175.10 174.73 1ozb s VAL 66 N 0.40 2.12 -0.30 2.92 1.01 -0.23 -1.32 120.40 125.01 1ozb s VAL 66 Ca 0.03 -0.98 -0.11 0.00 0.00 0.00 0.00 61.98 60.92 1ozb s VAL 66 Cb -0.12 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 1ozb s VAL 66 CO 0.00 0.55 0.18 -0.22 0.00 0.00 0.00 175.10 175.61 1ozb s LEU 67 N 0.55 4.08 -0.24 3.92 2.96 0.17 -1.73 118.68 128.38 1ozb s LEU 67 Ca -0.13 -0.24 -0.09 0.00 -0.22 0.00 0.00 54.13 53.44 1ozb s LEU 67 Cb -0.17 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 1ozb s LEU 67 CO 0.04 -0.12 0.12 0.20 -1.32 0.00 0.00 176.35 175.27 1ozb s ASN 68 N 1.70 5.67 -0.06 3.68 0.01 0.14 -1.18 114.94 124.89 1ozb s ASN 68 Ca 0.06 -0.03 0.03 0.00 -0.71 0.00 0.00 52.86 52.21 1ozb s ASN 68 Cb -0.16 -2.02 0.01 0.00 0.41 0.00 0.00 41.25 39.49 1ozb s ASN 68 CO 0.09 0.03 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.94 1ozb s ILE 69 N 1.27 1.25 -0.06 0.60 1.01 0.32 -1.51 121.20 124.08 1ozb s ILE 69 Ca 0.06 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.18 1ozb s ILE 69 Cb -0.14 -1.13 0.01 0.00 0.01 0.00 0.00 42.46 41.21 1ozb s ILE 69 CO 0.05 0.38 -0.13 -0.55 0.00 0.00 0.00 174.94 174.69 1ozb s SER 70 N 0.54 1.87 -0.05 3.58 0.15 0.73 -0.25 113.70 120.27 1ozb s SER 70 Ca -0.13 -0.32 0.01 0.00 0.70 0.00 0.00 55.95 56.21 1ozb s SER 70 Cb -0.15 -0.82 0.02 0.00 -1.71 0.00 0.00 66.02 63.36 1ozb s SER 70 CO 0.04 0.06 -0.06 -0.69 1.20 0.00 0.00 173.24 173.79 1ozb s VAL 71 N 0.56 0.66 -0.07 4.45 1.01 0.89 0.21 120.40 128.10 1ozb s VAL 71 Ca -0.13 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.68 1ozb s VAL 71 Cb -0.15 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.57 1ozb s VAL 71 CO 0.04 0.26 -0.07 -0.70 0.00 0.00 0.00 175.10 174.62 1ozb s GLU 72 N 1.02 1.26 -0.10 2.72 2.12 0.39 0.12 118.70 126.22 1ozb s GLU 72 Ca -0.09 -0.23 0.04 0.00 0.36 0.00 0.00 54.97 55.05 1ozb s GLU 72 Cb -0.14 -1.21 0.00 0.00 0.26 0.00 0.00 34.13 33.04 1ozb s GLU 72 CO -0.00 -0.10 -0.24 0.99 -0.54 0.00 0.00 175.26 175.37 1ozb s THR 73 N 1.09 2.08 0.20 -1.70 2.01 -0.47 0.77 115.64 119.62 1ozb s THR 73 Ca -0.08 -1.01 0.08 0.00 0.31 0.00 0.00 61.69 61.00 1ozb s THR 73 Cb -0.14 -1.79 -0.05 0.00 0.01 0.00 0.00 72.50 70.53 1ozb s THR 73 CO -0.01 0.56 -0.16 0.42 -0.69 0.00 0.00 174.62 174.74 1ozb s THR 74 N 0.38 1.80 -0.22 -0.82 -4.23 -0.46 0.03 115.64 112.11 1ozb s THR 74 Ca -0.18 -2.15 -0.14 0.00 -1.18 0.00 0.00 61.69 58.04 1ozb s THR 74 Cb -0.18 -2.00 -0.04 0.00 1.34 0.00 0.00 72.50 71.62 1ozb s THR 74 CO 0.08 -0.51 0.34 -0.76 -0.54 0.00 0.00 174.62 173.22 1ozb s LEU 75 N -3.16 4.13 0.18 4.79 1.02 -0.84 0.40 118.68 125.19 1ozb s LEU 75 Ca 0.21 0.38 -0.13 0.00 0.02 0.00 0.00 54.13 54.61 1ozb s LEU 75 Cb -0.02 -2.40 0.10 0.00 0.02 0.00 0.00 46.19 43.88 1ozb s LEU 75 CO 0.07 -0.06 1.83 1.05 0.02 0.00 0.00 176.35 179.26 1ozb h GLU 76 N 7.52 0.67 -1.27 1.70 4.11 -1.34 0.26 114.58 126.23 1ozb h GLU 76 Ca -0.36 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.03 1ozb h GLU 76 Cb 1.16 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1ozb h GLU 76 CO 0.69 0.44 0.00 -0.40 0.07 0.00 0.00 179.01 179.81 1ozb n ASP 77 N -4.75 2.62 0.00 3.06 3.85 -1.26 -3.46 116.55 116.61 1ozb n ASP 77 Ca 0.04 -1.67 0.00 0.00 -0.71 0.00 0.00 54.79 52.45 1ozb n ASP 77 Cb 0.06 -0.46 0.00 0.00 -1.35 0.00 0.00 41.12 39.37 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 0.69 0.00 0.00 -1.12 3.41 -1.15 -5.02 113.62 110.44 1ozb n SER 78 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ozb n SER 78 Cb 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 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 -0.20 2.73 3.76 5.00 0.00 0.92 -5.00 105.19 112.41 1ozb n GLY 79 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1ozb n GLY 79 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ozb s ASP 80 N -3.83 5.95 -0.05 1.61 -0.00 -1.25 -4.66 116.67 114.43 1ozb s ASP 80 Ca 0.00 2.79 -0.30 0.00 -0.00 0.00 0.00 52.55 55.04 1ozb s ASP 80 Cb 0.00 -2.64 -0.03 0.00 -0.00 0.00 0.00 42.92 40.24 1ozb s ASP 80 CO 0.00 -1.11 1.17 -0.69 -0.00 0.00 0.00 175.17 174.54 1ozb s VAL 81 N -1.25 4.31 -0.14 -1.27 1.01 -1.26 -1.99 120.40 119.80 1ozb s VAL 81 Ca 0.61 1.63 -0.21 0.00 0.00 0.00 0.00 61.98 64.02 1ozb s VAL 81 Cb -0.41 -4.05 -0.18 0.00 0.00 0.00 0.00 36.38 31.74 1ozb s VAL 81 CO 0.52 0.02 0.49 0.00 0.00 0.00 0.00 175.10 176.12 1ozb h ALA 82 N 7.33 0.03 -2.34 5.51 0.00 -0.74 -3.39 119.26 125.67 1ozb h ALA 82 Ca -0.35 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.10 1ozb h ALA 82 Cb 1.17 0.11 -0.16 0.00 0.00 0.00 0.00 17.79 18.90 1ozb h ALA 82 CO 0.87 0.10 0.31 -0.59 0.00 0.00 0.00 179.25 179.94 1ozb s PHE 83 N -2.08 -0.51 -0.04 0.00 -0.12 -1.11 -4.49 117.98 109.62 1ozb s PHE 83 Ca -0.16 0.59 0.03 0.00 -0.05 0.00 0.00 56.93 57.34 1ozb s PHE 83 Cb -0.01 0.49 0.01 0.00 -0.63 0.00 0.00 43.02 42.88 1ozb s PHE 83 CO 0.50 -0.64 -0.11 0.42 -0.05 0.00 0.00 175.22 175.34 1ozb s ILE 84 N -2.46 0.96 -0.05 -4.49 1.01 0.27 -1.37 121.20 115.07 1ozb s ILE 84 Ca -0.02 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.22 1ozb s ILE 84 Cb -0.01 -0.87 0.02 0.00 0.01 0.00 0.00 42.46 41.62 1ozb s ILE 84 CO -0.03 0.30 -0.05 0.00 0.00 0.00 0.00 174.94 175.16 1ozb s GLU 86 N 1.00 1.95 0.00 0.00 2.12 0.70 -0.08 118.70 124.40 1ozb s GLU 86 Ca -0.10 -0.54 0.03 0.00 0.36 0.00 0.00 54.97 54.73 1ozb s GLU 86 Cb -0.14 -1.59 -0.01 0.00 0.26 0.00 0.00 34.13 32.65 1ozb s GLU 86 CO -0.00 0.10 -0.09 0.08 -0.54 0.00 0.00 175.26 174.80 1ozb s VAL 87 N 0.47 0.74 -0.55 3.70 1.01 0.66 -0.62 120.40 125.80 1ozb s VAL 87 Ca -0.13 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.36 1ozb s VAL 87 Cb -0.15 -0.64 0.15 0.00 0.00 0.00 0.00 36.38 35.73 1ozb s VAL 87 CO 0.04 0.11 0.33 -0.75 0.00 0.00 0.00 175.10 174.84 1ozb s LYS 88 N -0.47 1.92 -0.14 2.72 2.20 -0.31 -0.52 119.74 125.15 1ozb s LYS 88 Ca 0.02 -2.69 -0.18 0.00 -0.36 0.00 0.00 55.97 52.76 1ozb s LYS 88 Cb -0.05 -3.03 -0.04 0.00 -1.51 0.00 0.00 37.83 33.20 1ozb s LYS 88 CO -0.00 -1.19 0.46 -1.14 -0.36 0.00 0.00 175.35 173.12 1ozb s GLN 89 N -0.50 4.31 0.31 4.03 2.00 -0.33 -1.49 119.66 127.98 1ozb s GLN 89 Ca 0.21 0.40 0.03 0.00 -2.00 0.00 0.00 55.36 54.00 1ozb s GLN 89 Cb -0.17 -3.46 -0.04 0.00 0.80 0.00 0.00 33.01 30.14 1ozb s GLN 89 CO -0.06 0.11 0.13 0.00 -0.50 0.00 0.00 175.29 174.97 1ozb s ALA 90 N 0.78 2.06 -0.05 1.58 0.00 0.03 0.41 121.76 126.58 1ozb s ALA 90 Ca 0.25 -1.74 -0.27 0.00 0.00 0.00 0.00 51.96 50.20 1ozb s ALA 90 Cb -0.15 1.04 0.06 0.00 0.00 0.00 0.00 23.12 24.07 1ozb s ALA 90 CO 0.10 -0.46 0.59 0.20 0.00 0.00 0.00 175.76 176.18 1ozb s GLY 91 N -3.40 -0.47 -0.24 0.00 0.00 -0.43 -1.36 107.32 101.42 1ozb s GLY 91 Ca 0.35 1.09 -0.08 0.00 0.00 0.00 0.00 44.72 46.07 1ozb s GLY 91 CO 0.16 0.77 0.10 0.14 0.00 0.00 0.00 173.10 174.27 1ozb s VAL 92 N -1.17 4.65 0.08 1.40 1.01 0.72 -0.85 120.40 126.25 1ozb s VAL 92 Ca -0.11 -0.06 0.08 0.00 0.00 0.00 0.00 61.98 61.89 1ozb s VAL 92 Cb -0.01 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 1ozb s VAL 92 CO 0.08 0.34 -0.19 -0.36 0.00 0.00 0.00 175.10 174.97 1ozb s PHE 93 N 1.41 2.51 -0.38 5.22 0.40 0.10 -0.03 117.98 127.21 1ozb s PHE 93 Ca 0.06 -0.28 -0.14 0.00 -0.60 0.00 0.00 56.93 55.97 1ozb s PHE 93 Cb -0.15 -1.39 0.01 0.00 0.51 0.00 0.00 43.02 42.00 1ozb s PHE 93 CO 0.05 0.30 0.27 0.99 0.70 0.00 0.00 175.22 177.53 1ozb s THR 94 N -1.02 5.19 -0.06 0.64 2.01 0.78 -0.23 115.64 122.95 1ozb s THR 94 Ca 0.16 -0.53 0.03 0.00 0.31 0.00 0.00 61.69 61.66 1ozb s THR 94 Cb -0.10 -3.81 0.01 0.00 0.01 0.00 0.00 72.50 68.60 1ozb s THR 94 CO 0.07 -0.20 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.02 1ozb s ILE 95 N 1.68 1.37 -0.09 1.82 1.01 0.20 -1.22 121.20 125.98 1ozb s ILE 95 Ca 0.05 -0.64 -0.30 0.00 0.00 0.00 0.00 60.65 59.76 1ozb s ILE 95 Cb -0.18 -1.21 0.08 0.00 0.01 0.00 0.00 42.46 41.15 1ozb s ILE 95 CO 0.10 0.40 0.76 -0.94 0.00 0.00 0.00 174.94 175.26 1ozb s SER 96 N 0.42 -0.59 0.00 3.58 1.04 -0.54 -4.61 113.70 113.00 1ozb s SER 96 Ca -0.12 0.68 0.00 0.00 0.48 0.00 0.00 55.95 56.99 1ozb s SER 96 Cb -0.15 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1ozb s SER 96 CO 0.04 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.35 1ozb n GLY 97 N 0.97 0.84 2.97 7.32 0.00 -1.26 0.79 105.19 116.81 1ozb n GLY 97 Ca -0.17 -0.51 -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 -1.01 1.84 0.77 0.99 1.43 -1.26 -4.68 118.68 116.76 1ozb s LEU 98 Ca 0.00 -0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 52.86 1ozb s LEU 98 Cb 0.00 -0.39 0.06 0.00 0.03 0.00 0.00 46.19 45.89 1ozb s LEU 98 CO 0.00 0.05 1.10 -1.61 0.23 0.00 0.00 176.35 176.13 1ozb s GLU 99 N 0.10 2.18 0.32 1.70 0.41 -1.26 -4.57 118.70 117.58 1ozb s GLU 99 Ca -0.01 1.27 0.06 0.00 -0.41 0.00 0.00 54.97 55.88 1ozb s GLU 99 Cb -0.06 -1.88 0.87 0.00 -1.78 0.00 0.00 34.13 31.28 1ozb s GLU 99 CO -0.00 -1.72 1.58 -0.44 -0.49 0.00 0.00 175.26 174.19 1ozb h ASP 100 N -1.02 -0.26 -0.07 -0.19 3.45 -2.01 0.17 116.42 116.49 1ozb h ASP 100 Ca -0.44 0.27 -0.06 0.00 0.43 0.00 0.00 57.03 57.22 1ozb h ASP 100 Cb 1.24 0.42 0.00 0.00 -0.56 0.00 0.00 39.33 40.43 1ozb h ASP 100 CO 0.50 -0.35 -0.20 0.58 -1.57 0.00 0.00 179.24 178.20 1ozb h VAL 101 N 0.03 1.43 -0.83 -1.35 2.07 -1.99 -2.14 116.25 113.47 1ozb h VAL 101 Ca 0.65 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1ozb h VAL 101 Cb 1.43 2.27 -0.04 0.00 -1.52 0.00 0.00 31.29 33.43 1ozb h VAL 101 CO -0.86 0.44 0.53 0.06 0.02 0.00 0.00 177.57 177.76 1ozb h GLN 102 N -0.24 1.10 -0.62 1.57 -0.00 -1.61 -1.34 115.11 113.97 1ozb h GLN 102 Ca -0.01 -0.08 -0.08 0.00 -0.00 0.00 0.00 58.65 58.48 1ozb h GLN 102 Cb 0.82 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.48 28.03 1ozb h GLN 102 CO 0.04 0.74 0.06 1.98 -0.00 0.00 0.00 178.83 181.65 1ozb h MET 103 N 1.13 1.06 -0.83 0.06 4.05 -1.03 -1.58 114.93 117.79 1ozb h MET 103 Ca 0.30 -0.31 -0.04 0.00 -0.28 0.00 0.00 59.70 59.38 1ozb h MET 103 Cb -0.10 -0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 30.55 1ozb h MET 103 CO -0.06 1.00 0.38 0.00 0.23 0.00 0.00 176.91 178.46 1ozb h ALA 104 N 1.01 1.10 -0.44 0.39 0.00 -0.65 -1.09 119.26 119.59 1ozb h ALA 104 Ca 0.18 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1ozb h ALA 104 Cb 0.49 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ozb h ALA 104 CO 0.02 0.66 -0.30 1.25 0.00 0.00 0.00 179.25 180.88 1ozb h HIS 105 N 1.19 1.14 -0.79 0.00 6.17 -1.06 -1.47 115.15 120.34 1ozb h HIS 105 Ca 0.28 -0.31 -0.03 0.00 0.71 0.00 0.00 60.37 61.02 1ozb h HIS 105 Cb 0.15 -0.25 -0.04 0.00 2.52 0.00 0.00 27.41 29.79 1ozb h HIS 105 CO 0.02 1.14 0.38 0.00 0.71 0.00 0.00 177.93 180.18 1ozb h LEU 107 N 1.12 0.04 -0.03 0.00 3.38 -1.10 -0.54 115.31 118.19 1ozb h LEU 107 Ca 0.27 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1ozb h LEU 107 Cb 0.11 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1ozb h LEU 107 CO -0.04 1.03 -0.84 0.35 0.09 0.00 0.00 178.44 179.04 1ozb n THR 108 N -3.33 0.00 0.09 0.22 -2.24 -0.56 -4.44 114.28 104.01 1ozb n THR 108 Ca -0.03 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1ozb n THR 108 Cb 0.96 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 70.20 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 -1.39 0.42 0.13 3.42 2.88 0.61 -4.56 113.62 115.14 1ozb n SER 109 Ca 0.04 0.29 -0.14 0.00 -1.33 0.00 0.00 58.87 57.72 1ozb n SER 109 Cb 0.29 0.04 -0.07 0.00 -0.75 0.00 0.00 64.21 63.71 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 -0.62 0.09 -1.46 4.20 -1.38 -1.27 115.11 114.67 1ozb h GLN 110 Ca 0.00 0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 1ozb h GLN 110 Cb 0.00 0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1ozb h GLN 110 CO 0.00 -0.41 -0.04 0.00 -0.67 0.00 0.00 178.83 177.70 1ozb h PRO 112 N -0.45 0.28 -0.13 0.00 0.11 -1.77 0.13 132.00 130.16 1ozb h PRO 112 Ca -0.01 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.97 1ozb h PRO 112 Cb 0.38 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 1ozb h PRO 112 CO 0.02 0.18 -0.39 -0.97 -0.21 0.00 0.00 178.00 176.63 1ozb h ASN 113 N 0.28 0.30 0.04 -2.05 -0.00 -0.94 -0.60 115.58 112.61 1ozb h ASN 113 Ca 0.37 -0.12 -0.16 0.00 -0.00 0.00 0.00 56.30 56.40 1ozb h ASN 113 Cb 1.04 -0.08 -0.01 0.00 -0.00 0.00 0.00 38.32 39.27 1ozb h ASN 113 CO -0.09 0.66 -0.53 0.24 -0.00 0.00 0.00 177.43 177.71 1ozb h MET 114 N 0.24 0.54 0.00 6.67 2.86 -0.25 -3.20 114.93 121.79 1ozb h MET 114 Ca 0.02 -0.33 -0.15 0.00 -2.06 0.00 0.00 59.70 57.18 1ozb h MET 114 Cb 0.80 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.47 1ozb h MET 114 CO 0.06 0.93 -0.72 -0.07 1.06 0.00 0.00 176.91 178.18 1ozb h LEU 115 N 0.42 0.00 -0.15 1.22 3.38 -1.05 -3.38 115.31 115.74 1ozb h LEU 115 Ca 0.01 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.02 1ozb h LEU 115 Cb 1.07 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.75 1ozb h LEU 115 CO 0.10 0.72 -0.48 0.15 0.09 0.00 0.00 178.44 179.01 1ozb h PHE 116 N 0.00 -1.40 -0.69 1.13 3.57 -1.11 -1.63 116.94 116.81 1ozb h PHE 116 Ca -0.01 0.06 0.20 0.00 3.53 0.00 0.00 57.97 61.75 1ozb h PHE 116 Cb 1.37 0.64 -0.03 0.00 2.79 0.00 0.00 35.95 40.72 1ozb h PHE 116 CO 0.00 -0.51 0.55 -1.00 -2.23 0.00 0.00 178.31 175.12 1ozb h PRO 117 N -0.53 0.00 -0.08 6.41 0.13 -1.76 0.46 132.00 136.64 1ozb h PRO 117 Ca 0.06 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.96 1ozb h PRO 117 Cb 0.65 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.79 1ozb h PRO 117 CO -0.43 0.00 -0.86 1.88 -0.23 0.00 0.00 178.00 178.35 1ozb h TYR 118 N 0.00 0.89 -0.15 1.56 -1.99 -1.55 -2.27 116.97 113.46 1ozb h TYR 118 Ca 0.33 -0.43 -0.12 0.00 2.00 0.00 0.00 58.73 60.51 1ozb h TYR 118 Cb 1.43 -0.12 -0.01 0.00 2.00 0.00 0.00 36.73 40.02 1ozb h TYR 118 CO 0.00 1.25 -0.44 0.00 -0.00 0.00 0.00 178.16 178.97 1ozb h ALA 119 N 0.62 0.97 -0.22 3.88 0.00 0.22 -2.06 119.26 122.68 1ozb h ALA 119 Ca -0.07 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1ozb h ALA 119 Cb 1.49 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1ozb h ALA 119 CO 0.17 0.63 0.13 -0.09 0.00 0.00 0.00 179.25 180.09 1ozb h ARG 120 N 0.30 0.29 -0.30 0.00 2.43 -0.29 -1.20 114.38 115.61 1ozb h ARG 120 Ca 0.02 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 1ozb h ARG 120 Cb 0.89 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.36 1ozb h ARG 120 CO 0.07 0.23 -0.05 1.49 -1.51 0.00 0.00 179.97 180.21 1ozb h GLU 121 N 0.27 0.47 -0.03 0.20 4.22 -1.22 -1.28 114.58 117.22 1ozb h GLU 121 Ca 0.08 -0.11 -0.00 0.00 0.08 0.00 0.00 59.36 59.41 1ozb h GLU 121 Cb 0.01 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 1ozb h GLU 121 CO -0.02 0.54 0.00 1.25 -2.18 0.00 0.00 179.01 178.60 1ozb h LEU 122 N 0.45 0.05 -0.26 1.64 5.85 -0.91 0.26 115.31 122.38 1ozb h LEU 122 Ca 0.09 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.53 1ozb h LEU 122 Cb 0.37 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1ozb h LEU 122 CO 0.02 0.34 0.09 0.58 -0.34 0.00 0.00 178.44 179.12 1ozb h VAL 123 N -0.25 0.92 -0.54 1.05 2.07 -1.04 -1.19 116.25 117.27 1ozb h VAL 123 Ca 0.01 -0.07 0.08 0.00 0.82 0.00 0.00 66.70 67.54 1ozb h VAL 123 Cb 0.32 0.70 -0.07 0.00 -1.52 0.00 0.00 31.29 30.73 1ozb h VAL 123 CO 0.00 0.04 0.18 -1.28 0.02 0.00 0.00 177.57 176.53 1ozb h SER 124 N 0.20 0.15 -0.12 0.57 0.87 -1.15 0.09 113.55 114.16 1ozb h SER 124 Ca 0.12 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1ozb h SER 124 Cb 0.09 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1ozb h SER 124 CO -0.12 0.11 0.08 -1.13 -0.53 0.00 0.00 176.83 175.23 1ozb h ASN 125 N 0.35 0.14 -0.40 6.23 -0.73 -0.46 -1.94 115.58 118.76 1ozb h ASN 125 Ca 0.27 -0.02 -0.10 0.00 1.87 0.00 0.00 56.30 58.32 1ozb h ASN 125 Cb 0.32 -0.04 -0.01 0.00 0.27 0.00 0.00 38.32 38.87 1ozb h ASN 125 CO -0.29 0.12 -0.13 -0.07 -0.37 0.00 0.00 177.43 176.69 1ozb h LEU 126 N 0.15 0.80 -0.58 0.34 3.38 -0.81 -2.48 115.31 116.10 1ozb h LEU 126 Ca 0.04 -0.38 0.07 0.00 0.09 0.00 0.00 57.88 57.71 1ozb h LEU 126 Cb -0.00 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.47 1ozb h LEU 126 CO -0.01 0.99 0.26 0.58 0.09 0.00 0.00 178.44 180.35 1ozb h VAL 127 N 0.60 0.86 -0.84 1.22 2.07 -0.90 -1.42 116.25 117.84 1ozb h VAL 127 Ca 0.10 -0.16 0.09 0.00 0.82 0.00 0.00 66.70 67.54 1ozb h VAL 127 Cb 0.66 0.34 -0.07 0.00 -1.52 0.00 0.00 31.29 30.70 1ozb h VAL 127 CO 0.05 0.09 0.49 0.78 0.02 0.00 0.00 177.57 178.99 1ozb h ASN 128 N 0.48 0.73 0.12 0.57 2.35 -1.17 -0.67 115.58 117.98 1ozb h ASN 128 Ca 0.28 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 56.06 1ozb h ASN 128 Cb 0.27 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 1ozb h ASN 128 CO -0.24 0.43 -0.04 0.03 -1.65 0.00 0.00 177.43 175.96 1ozb h ARG 129 N 0.85 0.00 -0.08 0.81 2.47 -0.80 0.56 114.38 118.18 1ozb h ARG 129 Ca 0.39 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.11 1ozb h ARG 129 Cb 0.31 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.63 1ozb h ARG 129 CO -0.23 0.04 0.00 0.41 0.56 0.00 0.00 179.97 180.75 1ozb n GLY 130 N -1.09 0.34 3.63 0.04 0.00 -0.27 -4.94 105.19 102.89 1ozb n GLY 130 Ca -0.03 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.25 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 0.47 -2.62 -3.74 2.61 -2.24 0.19 -5.02 114.28 103.94 1ozb n THR 131 Ca 0.18 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.72 1ozb n THR 131 Cb 0.40 -3.61 -0.02 0.00 -2.10 0.00 0.00 70.33 65.00 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 -3.30 3.47 0.37 4.78 0.40 -1.17 -5.04 117.98 117.50 1ozb s PHE 132 Ca 0.58 0.16 -0.28 0.00 -0.60 0.00 0.00 56.93 56.80 1ozb s PHE 132 Cb -0.27 -1.72 -0.10 0.00 0.51 0.00 0.00 43.02 41.44 1ozb s PHE 132 CO 0.72 0.33 1.35 -1.25 0.70 0.00 0.00 175.22 177.07 1ozb s PRO 133 N -3.95 4.15 0.20 0.24 0.04 -1.26 -4.62 135.00 129.80 1ozb s PRO 133 Ca 0.37 2.28 -0.28 0.00 0.04 0.00 0.00 61.00 63.40 1ozb s PRO 133 Cb -0.10 -2.93 -0.17 0.00 0.04 0.00 0.00 34.50 31.35 1ozb s PRO 133 CO 0.31 -0.38 0.52 0.00 0.04 0.00 0.00 177.00 177.49 1ozb n ALA 134 N 0.47 -2.87 -3.78 8.56 0.00 -1.26 -4.96 120.51 116.66 1ozb n ALA 134 Ca 0.02 0.44 -0.28 0.00 0.00 0.00 0.00 53.44 53.61 1ozb n ALA 134 Cb 0.42 -1.60 -0.16 0.00 0.00 0.00 0.00 19.45 18.11 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 2.93 1.55 -0.49 0.00 2.96 -1.26 -5.09 118.68 119.28 1ozb s LEU 135 Ca 0.64 -0.93 -0.02 0.00 -0.22 0.00 0.00 54.13 53.60 1ozb s LEU 135 Cb -0.93 -0.74 0.13 0.00 0.50 0.00 0.00 46.19 45.15 1ozb s LEU 135 CO 0.56 -0.29 0.28 0.20 -1.32 0.00 0.00 176.35 175.77 1ozb s ASN 136 N 1.74 5.16 0.05 3.68 0.01 -1.26 -4.05 114.94 120.26 1ozb s ASN 136 Ca -0.02 -2.39 -0.38 0.00 -0.71 0.00 0.00 52.86 49.36 1ozb s ASN 136 Cb -0.18 -1.81 -0.19 0.00 0.41 0.00 0.00 41.25 39.48 1ozb s ASN 136 CO -0.08 -0.45 1.05 0.18 -1.51 0.00 0.00 177.10 176.29 1ozb n LEU 137 N 4.09 0.21 -4.77 0.60 4.77 -1.26 -4.90 117.00 115.73 1ozb n LEU 137 Ca 0.02 1.15 -0.33 0.00 -0.03 0.00 0.00 56.01 56.82 1ozb n LEU 137 Cb 0.40 -0.99 0.03 0.00 -2.33 0.00 0.00 43.42 40.53 1ozb n LEU 137 CO 0.33 -1.86 0.75 -0.94 -1.33 0.00 0.00 177.39 174.33 1ozb s SER 138 N -0.04 5.33 0.48 -1.43 1.04 -1.26 -4.94 113.70 112.87 1ozb s SER 138 Ca 0.86 2.02 -0.23 0.00 0.48 0.00 0.00 55.95 59.08 1ozb s SER 138 Cb -1.15 -2.56 -0.09 0.00 0.10 0.00 0.00 66.02 62.33 1ozb s SER 138 CO 0.55 -1.48 1.08 -2.65 0.98 0.00 0.00 173.24 171.72 1ozb n PRO 139 N -2.11 1.39 -4.68 4.02 -0.02 -1.26 -4.99 135.00 127.36 1ozb n PRO 139 Ca 0.10 0.50 -0.34 0.00 -2.02 0.00 0.00 63.50 61.75 1ozb n PRO 139 Cb 0.52 -2.19 -0.12 0.00 -0.02 0.00 0.00 33.50 31.70 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 -1.32 3.58 -0.64 -1.45 1.01 -1.26 -5.06 120.40 115.26 1ozb s VAL 140 Ca 0.66 -0.53 -0.21 0.00 0.00 0.00 0.00 61.98 61.90 1ozb s VAL 140 Cb -0.50 -2.45 0.08 0.00 0.00 0.00 0.00 36.38 33.51 1ozb s VAL 140 CO 0.54 0.60 0.88 0.21 0.00 0.00 0.00 175.10 177.33 1ozb s ASN 141 N -0.80 6.18 0.45 3.32 3.84 -1.26 -4.88 114.94 121.79 1ozb s ASN 141 Ca 0.12 -1.12 0.24 0.00 0.21 0.00 0.00 52.86 52.31 1ozb s ASN 141 Cb -0.11 -2.38 0.47 0.00 -0.55 0.00 0.00 41.25 38.68 1ozb s ASN 141 CO 0.01 -1.34 1.66 -0.26 -2.79 0.00 0.00 177.10 174.38 1ozb h PHE 142 N 9.45 0.00 -0.03 0.43 -1.00 -1.92 -3.08 116.94 120.79 1ozb h PHE 142 Ca -0.29 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.50 1ozb h PHE 142 Cb 1.08 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.63 1ozb h PHE 142 CO 0.93 0.02 0.03 -0.44 -1.61 0.00 0.00 178.31 177.24 1ozb h ASP 143 N 0.00 0.00 -0.51 2.17 3.32 -1.89 -0.88 116.42 118.63 1ozb h ASP 143 Ca -0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 1ozb h ASP 143 Cb 0.94 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 1ozb h ASP 143 CO 0.00 0.00 -0.04 0.00 -1.72 0.00 0.00 179.24 177.48 1ozb h ALA 144 N 1.96 0.69 0.00 3.45 0.00 -1.94 -1.71 119.26 121.71 1ozb h ALA 144 Ca 0.02 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1ozb h ALA 144 Cb 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1ozb h ALA 144 CO -0.00 0.53 0.00 1.28 0.00 0.00 0.00 179.25 181.06 1ozb n LEU 145 N -4.27 0.70 0.03 0.00 4.77 -0.37 -1.57 117.00 116.29 1ozb n LEU 145 Ca 0.01 0.64 -0.19 0.00 -0.03 0.00 0.00 56.01 56.44 1ozb n LEU 145 Cb 0.35 -0.50 -0.14 0.00 -2.33 0.00 0.00 43.42 40.80 1ozb n LEU 145 CO 0.43 -0.44 0.13 0.15 -1.33 0.00 0.00 177.39 176.33 1ozb h PHE 146 N 0.00 0.50 -0.01 -1.77 3.57 -1.00 -2.76 116.94 115.47 1ozb h PHE 146 Ca 0.00 -0.34 -0.00 0.00 3.53 0.00 0.00 57.97 61.16 1ozb h PHE 146 Cb 0.48 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 1ozb h PHE 146 CO 0.00 1.24 0.00 0.28 -2.23 0.00 0.00 178.31 177.60 1ozb h VAL 147 N -0.39 1.04 -0.99 1.41 2.07 -1.04 -1.48 116.25 116.88 1ozb h VAL 147 Ca -0.11 -0.13 0.23 0.00 0.82 0.00 0.00 66.70 67.51 1ozb h VAL 147 Cb 1.51 1.12 -0.09 0.00 -1.52 0.00 0.00 31.29 32.31 1ozb h VAL 147 CO 0.13 0.03 0.64 -0.33 0.02 0.00 0.00 177.57 178.06 1ozb h GLU 148 N -0.05 0.46 0.12 1.57 5.08 -1.38 -1.66 114.58 118.73 1ozb h GLU 148 Ca 0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1ozb h GLU 148 Cb 0.05 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1ozb h GLU 148 CO -0.00 0.31 -0.06 -0.92 -1.00 0.00 0.00 179.01 177.34 1ozb h TYR 149 N 0.48 -0.14 -0.86 4.33 3.20 -0.99 -3.18 116.97 119.79 1ozb h TYR 149 Ca 0.56 -0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.58 1ozb h TYR 149 Cb 1.28 0.05 -0.16 0.00 1.54 0.00 0.00 36.73 39.44 1ozb h TYR 149 CO -0.00 -0.09 -0.25 -1.33 -1.64 0.00 0.00 178.16 174.84 1ozb n MET 150 N -2.46 -0.12 0.00 1.82 2.81 -0.71 -5.10 117.12 113.36 1ozb n MET 150 Ca -0.02 1.34 0.03 0.00 -1.81 0.00 0.00 57.70 57.24 1ozb n MET 150 Cb 0.06 -2.00 0.17 0.00 -0.71 0.00 0.00 33.22 30.74 1ozb n MET 150 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57