#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bzo s ASP 3 N 0.00 -0.07 0.16 1.69 1.01 -1.26 -3.89 116.67 114.32 1bzo s ASP 3 Ca 0.00 0.19 0.11 0.00 0.71 0.00 0.00 52.55 53.56 1bzo s ASP 3 Cb 0.00 0.14 -0.04 0.00 1.01 0.00 0.00 42.92 44.03 1bzo s ASP 3 CO 0.00 -0.08 -0.25 -0.76 0.21 0.00 0.00 175.17 174.29 1bzo s LEU 4 N 0.53 2.38 -0.19 1.23 1.43 -0.46 -4.87 118.68 118.73 1bzo s LEU 4 Ca -0.04 -0.81 -0.07 0.00 -1.03 0.00 0.00 54.13 52.17 1bzo s LEU 4 Cb -0.06 -1.18 -0.04 0.00 0.03 0.00 0.00 46.19 44.94 1bzo s LEU 4 CO -0.02 0.14 0.07 0.42 0.23 0.00 0.00 176.35 177.19 1bzo s THR 5 N -1.39 4.76 -0.19 5.49 -4.23 -1.26 0.10 115.64 118.93 1bzo s THR 5 Ca 0.17 -0.04 -0.01 0.00 -1.18 0.00 0.00 61.69 60.63 1bzo s THR 5 Cb -0.09 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.60 1bzo s THR 5 CO 0.08 0.45 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.79 1bzo s VAL 6 N 0.50 2.80 -0.02 2.29 1.01 -0.43 -4.78 120.40 121.77 1bzo s VAL 6 Ca 0.03 -0.70 -0.23 0.00 0.00 0.00 0.00 61.98 61.08 1bzo s VAL 6 Cb -0.13 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1bzo s VAL 6 CO 0.01 0.49 0.69 -1.59 0.00 0.00 0.00 175.10 174.70 1bzo s LYS 7 N 1.19 4.43 -0.08 2.72 -2.85 -1.26 -1.14 119.74 122.74 1bzo s LYS 7 Ca 0.02 0.90 -0.01 0.00 -1.00 0.00 0.00 55.97 55.87 1bzo s LYS 7 Cb -0.14 -3.40 -0.03 0.00 -2.06 0.00 0.00 37.83 32.19 1bzo s LYS 7 CO -0.05 0.19 -0.02 -1.64 0.10 0.00 0.00 175.35 173.93 1bzo s MET 8 N 0.36 2.91 0.00 1.78 -1.94 -0.49 -4.33 119.30 117.59 1bzo s MET 8 Ca 0.36 -0.45 0.07 0.00 -1.71 0.00 0.00 55.69 53.96 1bzo s MET 8 Cb -0.19 -2.74 -0.02 0.00 2.01 0.00 0.00 34.83 33.90 1bzo s MET 8 CO 0.19 0.69 -0.21 0.99 -0.01 0.00 0.00 175.02 176.67 1bzo s THR 9 N -0.87 1.67 0.02 2.05 2.01 0.39 -0.23 115.64 120.69 1bzo s THR 9 Ca 0.13 -0.99 -0.30 0.00 0.31 0.00 0.00 61.69 60.84 1bzo s THR 9 Cb -0.11 -1.41 -0.06 0.00 0.01 0.00 0.00 72.50 70.93 1bzo s THR 9 CO 0.02 0.40 1.38 -0.62 -0.69 0.00 0.00 174.62 175.11 1bzo s ASP 9 N -0.70 6.87 0.31 3.53 -1.08 -0.66 -0.72 116.67 124.21 1bzo s ASP 9 Ca 0.08 2.14 0.15 0.00 -0.52 0.00 0.00 52.55 54.40 1bzo s ASP 9 Cb -0.08 -2.57 0.36 0.00 -1.46 0.00 0.00 42.92 39.17 1bzo s ASP 9 CO -0.00 -0.68 1.58 -0.07 0.52 0.00 0.00 175.17 176.52 1bzo h LEU 9 N 7.95 0.00 0.04 -1.34 3.38 0.84 -0.30 115.31 125.89 1bzo h LEU 9 Ca -0.39 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.49 1bzo h LEU 9 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1bzo h LEU 9 CO 0.89 0.51 -0.44 1.56 0.09 0.00 0.00 178.44 181.06 1bzo h GLN 10 N 0.00 0.09 0.00 1.13 7.50 -1.89 -3.39 115.11 118.55 1bzo h GLN 10 Ca -0.01 -0.16 -0.14 0.00 0.50 0.00 0.00 58.65 58.85 1bzo h GLN 10 Cb 1.17 0.06 -0.02 0.00 0.05 0.00 0.00 27.48 28.73 1bzo h GLN 10 CO 0.07 1.08 -1.21 1.79 -1.50 0.00 0.00 178.83 179.05 1bzo h THR 11 N -0.79 0.49 0.00 -0.54 1.35 -1.92 -3.48 112.91 108.01 1bzo h THR 11 Ca -0.09 -1.89 0.00 0.00 -0.55 0.00 0.00 66.41 63.87 1bzo h THR 11 Cb 1.25 2.02 0.00 0.00 -1.73 0.00 0.00 68.15 69.69 1bzo h THR 11 CO 0.02 0.28 0.00 0.61 -0.25 0.00 0.00 175.52 176.18 1bzo n GLY 12 N 1.34 0.85 3.93 5.82 0.00 -0.12 -5.02 105.19 112.00 1bzo n GLY 12 Ca -0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 1bzo n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bzo s LYS 13 N -0.08 3.46 0.50 1.61 1.02 -1.26 -4.78 119.74 120.22 1bzo s LYS 13 Ca 0.00 -0.48 -0.23 0.00 0.02 0.00 0.00 55.97 55.27 1bzo s LYS 13 Cb 0.00 -2.95 -0.06 0.00 -0.52 0.00 0.00 37.83 34.30 1bzo s LYS 13 CO 0.00 0.51 1.38 -2.14 -0.92 0.00 0.00 175.35 174.18 1bzo s PRO 14 N -3.06 3.42 0.00 -1.68 0.02 -1.26 -1.65 135.00 130.78 1bzo s PRO 14 Ca 0.36 2.29 0.04 0.00 0.02 0.00 0.00 61.00 63.71 1bzo s PRO 14 Cb -0.12 -2.45 0.03 0.00 0.02 0.00 0.00 34.50 31.99 1bzo s PRO 14 CO 0.28 -0.99 0.65 1.33 -0.33 0.00 0.00 177.00 177.94 1bzo n VAL 15 N -0.62 0.06 0.00 3.83 0.24 0.69 -4.81 118.33 117.72 1bzo n VAL 15 Ca 0.08 -0.53 0.00 0.00 -2.04 0.00 0.00 64.34 61.85 1bzo n VAL 15 Cb 0.44 1.04 0.00 0.00 -1.47 0.00 0.00 33.84 33.85 1bzo n VAL 15 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bzo n GLY 16 N 0.19 0.36 3.40 7.63 0.00 -1.25 -2.23 105.19 113.29 1bzo n GLY 16 Ca 0.02 -2.02 -0.10 0.00 0.00 0.00 0.00 46.02 43.92 1bzo n GLY 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bzo s THR 17 N -0.56 0.02 -0.06 2.61 -4.23 -0.78 -1.40 115.64 111.25 1bzo s THR 17 Ca 0.00 -1.61 0.02 0.00 -1.18 0.00 0.00 61.69 58.92 1bzo s THR 17 Cb 0.00 -2.22 0.01 0.00 1.34 0.00 0.00 72.50 71.64 1bzo s THR 17 CO 0.00 -0.08 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.27 1bzo s ILE 18 N -4.05 0.97 -0.04 2.99 1.01 -0.30 -0.21 121.20 121.57 1bzo s ILE 18 Ca 0.27 -0.39 -0.16 0.00 0.00 0.00 0.00 60.65 60.37 1bzo s ILE 18 Cb 0.03 -0.91 -0.05 0.00 0.01 0.00 0.00 42.46 41.54 1bzo s ILE 18 CO 0.08 0.32 0.43 -0.70 0.00 0.00 0.00 174.94 175.07 1bzo s GLU 19 N 0.70 4.10 -0.13 2.79 2.12 -0.11 -1.32 118.70 126.85 1bzo s GLU 19 Ca -0.13 0.42 -0.01 0.00 0.36 0.00 0.00 54.97 55.61 1bzo s GLU 19 Cb -0.15 -3.31 -0.02 0.00 0.26 0.00 0.00 34.13 30.91 1bzo s GLU 19 CO 0.03 0.48 -0.11 -0.51 -0.54 0.00 0.00 175.26 174.61 1bzo s LEU 20 N -0.41 2.87 0.02 2.70 1.02 0.29 -1.86 118.68 123.31 1bzo s LEU 20 Ca 0.24 -0.25 0.02 0.00 0.02 0.00 0.00 54.13 54.15 1bzo s LEU 20 Cb -0.16 -1.65 -0.02 0.00 0.02 0.00 0.00 46.19 44.38 1bzo s LEU 20 CO 0.12 0.19 -0.06 -0.94 0.02 0.00 0.00 176.35 175.68 1bzo s SER 21 N 0.21 0.63 -0.12 2.29 1.04 -0.72 -1.35 113.70 115.68 1bzo s SER 21 Ca -0.07 -0.39 -0.09 0.00 0.48 0.00 0.00 55.95 55.89 1bzo s SER 21 Cb -0.15 0.02 -0.04 0.00 0.10 0.00 0.00 66.02 65.95 1bzo s SER 21 CO 0.04 -0.14 0.17 -1.58 0.98 0.00 0.00 173.24 172.72 1bzo s GLN 22 N -1.09 3.66 0.27 4.02 2.00 -1.25 -1.36 119.66 125.91 1bzo s GLN 22 Ca -0.07 -0.08 0.03 0.00 -2.00 0.00 0.00 55.36 53.24 1bzo s GLN 22 Cb -0.07 -3.25 -0.04 0.00 0.80 0.00 0.00 33.01 30.46 1bzo s GLN 22 CO -0.00 0.66 0.20 0.54 -0.50 0.00 0.00 175.29 176.18 1bzo s ASN 23 N -0.72 1.01 0.61 6.67 2.20 0.79 -4.96 114.94 120.54 1bzo s ASN 23 Ca 0.15 -1.57 0.32 0.00 -0.94 0.00 0.00 52.86 50.82 1bzo s ASN 23 Cb -0.12 0.45 1.85 0.00 -2.00 0.00 0.00 41.25 41.42 1bzo s ASN 23 CO 0.04 -0.94 2.17 0.50 -2.94 0.00 0.00 177.10 175.94 1bzo h LYS 24 N 2.35 0.00 -0.09 3.55 3.64 -2.02 -1.66 116.57 122.34 1bzo h LYS 24 Ca -0.31 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 1bzo h LYS 24 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1bzo h LYS 24 CO 0.46 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 178.30 1bzo n TYR 25 N -3.59 0.09 0.00 1.91 4.01 -1.26 -5.08 117.16 113.23 1bzo n TYR 25 Ca -0.01 -0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1bzo n TYR 25 Cb 0.22 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 1bzo n TYR 25 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bzo n GLY 26 N 1.05 0.92 3.72 2.72 0.00 -0.63 -4.13 105.19 108.85 1bzo n GLY 26 Ca 0.12 -1.82 -0.36 0.00 0.00 0.00 0.00 46.02 43.96 1bzo n GLY 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bzo s VAL 27 N -3.20 5.37 -0.19 1.61 1.01 -0.69 -0.15 120.40 124.17 1bzo s VAL 27 Ca 0.00 0.31 -0.09 0.00 0.00 0.00 0.00 61.98 62.20 1bzo s VAL 27 Cb 0.00 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 1bzo s VAL 27 CO 0.00 0.41 0.13 -0.69 0.00 0.00 0.00 175.10 174.95 1bzo s VAL 28 N 0.46 5.41 -0.26 2.92 1.01 -0.46 -0.85 120.40 128.63 1bzo s VAL 28 Ca 0.11 0.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.23 1bzo s VAL 28 Cb -0.12 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 32.82 1bzo s VAL 28 CO 0.00 0.47 0.01 -0.36 0.00 0.00 0.00 175.10 175.22 1bzo s PHE 29 N 0.13 3.08 -0.36 5.22 0.40 0.29 -1.75 117.98 125.00 1bzo s PHE 29 Ca 0.09 -1.16 -0.03 0.00 -0.60 0.00 0.00 56.93 55.23 1bzo s PHE 29 Cb -0.11 -2.16 0.08 0.00 0.51 0.00 0.00 43.02 41.34 1bzo s PHE 29 CO -0.01 -0.62 0.12 0.42 0.70 0.00 0.00 175.22 175.83 1bzo s ILE 30 N 1.44 3.30 0.38 0.64 1.09 -0.78 -1.20 121.20 126.06 1bzo s ILE 30 Ca 0.02 -1.63 -0.19 0.00 -1.10 0.00 0.00 60.65 57.76 1bzo s ILE 30 Cb -0.16 -3.06 -0.10 0.00 -1.06 0.00 0.00 42.46 38.08 1bzo s ILE 30 CO -0.01 -0.39 0.86 -2.16 -0.10 0.00 0.00 174.94 173.14 1bzo s PRO 31 N 1.24 4.15 -0.41 2.79 0.04 -1.26 -0.93 135.00 140.61 1bzo s PRO 31 Ca 0.01 0.94 0.06 0.00 0.04 0.00 0.00 61.00 62.05 1bzo s PRO 31 Cb -0.21 -2.32 0.22 0.00 0.04 0.00 0.00 34.50 32.22 1bzo s PRO 31 CO -0.02 0.07 0.46 0.39 0.04 0.00 0.00 177.00 177.94 1bzo n GLU 32 N -0.45 0.60 -4.52 4.56 -0.58 0.71 -4.27 120.64 116.69 1bzo n GLU 32 Ca 0.05 -3.28 -0.24 0.00 -0.42 0.00 0.00 57.16 53.27 1bzo n GLU 32 Cb 0.53 -1.45 -0.11 0.00 -0.57 0.00 0.00 31.44 29.85 1bzo n GLU 32 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1bzo s LEU 33 N -0.76 2.60 0.18 -4.62 1.43 -1.02 -1.86 118.68 114.63 1bzo s LEU 33 Ca 0.34 -1.28 -0.24 0.00 -1.03 0.00 0.00 54.13 51.93 1bzo s LEU 33 Cb 0.12 -0.76 0.05 0.00 0.03 0.00 0.00 46.19 45.63 1bzo s LEU 33 CO -0.14 -0.39 0.78 0.00 0.23 0.00 0.00 176.35 176.83 1bzo s ALA 34 N -2.88 -1.51 -0.41 4.21 0.00 -0.95 -2.15 121.76 118.08 1bzo s ALA 34 Ca 0.33 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.46 1bzo s ALA 34 Cb 0.06 0.74 0.00 0.00 0.00 0.00 0.00 23.12 23.92 1bzo s ALA 34 CO 0.15 -0.93 0.00 -0.25 0.00 0.00 0.00 175.76 174.73 1bzo n ASP 35 N -0.42 -2.18 -4.73 0.00 8.00 -0.87 -4.80 116.55 111.56 1bzo n ASP 35 Ca -0.08 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.12 1bzo n ASP 35 Cb 0.61 -1.51 -0.08 0.00 -0.02 0.00 0.00 41.12 40.13 1bzo n ASP 35 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1bzo s LEU 36 N -1.35 2.63 -0.19 0.64 1.43 -0.90 -5.10 118.68 115.84 1bzo s LEU 36 Ca 0.00 -1.45 -0.16 0.00 -1.03 0.00 0.00 54.13 51.49 1bzo s LEU 36 Cb 0.00 -0.92 -0.04 0.00 0.03 0.00 0.00 46.19 45.26 1bzo s LEU 36 CO 0.00 -0.70 0.42 0.42 0.23 0.00 0.00 176.35 176.71 1bzo s THR 37 N -2.78 5.19 0.33 5.49 -4.23 -1.26 -4.20 115.64 114.18 1bzo s THR 37 Ca 0.22 0.75 -0.27 0.00 -1.18 0.00 0.00 61.69 61.22 1bzo s THR 37 Cb 0.04 -3.75 -0.13 0.00 1.34 0.00 0.00 72.50 70.01 1bzo s THR 37 CO 0.12 0.25 1.00 -2.65 -0.54 0.00 0.00 174.62 172.80 1bzo n PRO 38 N 4.41 1.36 0.00 3.99 -0.02 -1.26 -4.64 135.00 138.84 1bzo n PRO 38 Ca -0.08 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1bzo n PRO 38 Cb 0.51 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 1bzo n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bzo n GLY 39 N 1.22 0.57 3.75 -1.23 0.00 -0.23 -4.90 105.19 104.36 1bzo n GLY 39 Ca 0.09 -2.21 -0.36 0.00 0.00 0.00 0.00 46.02 43.54 1bzo n GLY 39 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1bzo s MET 40 N -0.40 3.53 -0.00 1.61 -1.94 -1.26 0.36 119.30 121.20 1bzo s MET 40 Ca 0.00 -0.27 0.05 0.00 -1.71 0.00 0.00 55.69 53.76 1bzo s MET 40 Cb 0.00 -3.11 -0.01 0.00 2.01 0.00 0.00 34.83 33.72 1bzo s MET 40 CO 0.00 0.58 -0.15 -1.01 -0.01 0.00 0.00 175.02 174.43 1bzo s HIS 41 N -0.49 1.36 0.31 -0.03 3.76 -0.38 -4.05 115.29 115.77 1bzo s HIS 41 Ca 0.11 -0.27 -0.29 0.00 -0.15 0.00 0.00 55.06 54.45 1bzo s HIS 41 Cb -0.12 -0.87 -0.11 0.00 1.11 0.00 0.00 32.58 32.60 1bzo s HIS 41 CO 0.02 -0.01 1.46 0.20 -0.85 0.00 0.00 174.74 175.56 1bzo s GLY 42 N -0.48 2.59 -0.06 -2.22 0.00 -0.41 -1.71 107.32 105.03 1bzo s GLY 42 Ca 0.05 1.44 -0.01 0.00 0.00 0.00 0.00 44.72 46.20 1bzo s GLY 42 CO -0.00 2.26 0.00 -0.12 0.00 0.00 0.00 173.10 175.24 1bzo s PHE 43 N -0.56 0.55 0.12 1.90 5.36 -1.26 -1.09 117.98 123.01 1bzo s PHE 43 Ca 0.56 -0.09 -0.13 0.00 -0.96 0.00 0.00 56.93 56.30 1bzo s PHE 43 Cb -0.44 -0.68 0.02 0.00 -0.34 0.00 0.00 43.02 41.58 1bzo s PHE 43 CO 0.52 -0.26 0.34 -1.01 -1.46 0.00 0.00 175.22 173.34 1bzo s HIS 44 N 1.70 -0.04 -0.15 10.12 3.76 -1.01 -3.12 115.29 126.56 1bzo s HIS 44 Ca 0.00 -0.32 -0.19 0.00 -0.15 0.00 0.00 55.06 54.41 1bzo s HIS 44 Cb -0.13 0.14 -0.04 0.00 1.11 0.00 0.00 32.58 33.67 1bzo s HIS 44 CO -0.04 -0.67 0.51 0.42 -0.85 0.00 0.00 174.74 174.11 1bzo s ILE 45 N -3.84 5.15 0.32 0.60 -1.09 -0.17 -1.22 121.20 120.94 1bzo s ILE 45 Ca 0.05 0.99 0.07 0.00 -2.23 0.00 0.00 60.65 59.53 1bzo s ILE 45 Cb 0.03 -3.84 -0.02 0.00 -1.58 0.00 0.00 42.46 37.05 1bzo s ILE 45 CO -0.10 0.26 0.38 -1.00 -1.23 0.00 0.00 174.94 173.26 1bzo s HIS 46 N 1.04 3.10 0.02 3.97 3.76 -0.03 0.30 115.29 127.45 1bzo s HIS 46 Ca 0.26 -0.21 -0.25 0.00 -0.15 0.00 0.00 55.06 54.71 1bzo s HIS 46 Cb -0.15 -1.84 -0.18 0.00 1.11 0.00 0.00 32.58 31.52 1bzo s HIS 46 CO 0.10 0.15 1.43 0.37 -0.85 0.00 0.00 174.74 175.94 1bzo h GLN 47 N 1.08 -0.05 -6.38 1.40 4.15 -0.77 -3.10 115.11 111.45 1bzo h GLN 47 Ca -0.46 0.00 -0.55 0.00 0.77 0.00 0.00 58.65 58.41 1bzo h GLN 47 Cb 1.25 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.92 1bzo h GLN 47 CO 0.56 0.25 -0.13 -0.80 -1.93 0.00 0.00 178.83 176.79 1bzo s ASN 48 N -5.45 6.66 -0.38 -0.69 0.01 0.84 -4.78 114.94 111.16 1bzo s ASN 48 Ca -0.15 0.93 -0.07 0.00 -0.71 0.00 0.00 52.86 52.86 1bzo s ASN 48 Cb 0.03 -2.23 -0.21 0.00 0.41 0.00 0.00 41.25 39.25 1bzo s ASN 48 CO 0.66 -0.01 3.29 0.61 -1.51 0.00 0.00 177.10 180.13 1bzo n GLY 49 N 0.15 3.17 3.26 0.66 0.00 -0.64 -3.24 105.19 108.54 1bzo n GLY 49 Ca -0.01 -1.20 -0.14 0.00 0.00 0.00 0.00 46.02 44.67 1bzo n GLY 49 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bzo s SER 50 N 2.13 -0.25 0.00 1.61 0.15 -1.26 -4.96 113.70 111.12 1bzo s SER 50 Ca 0.63 0.22 0.02 0.00 0.70 0.00 0.00 55.95 57.53 1bzo s SER 50 Cb 0.27 0.39 0.06 0.00 -1.71 0.00 0.00 66.02 65.03 1bzo s SER 50 CO -0.01 -0.41 1.03 0.00 1.20 0.00 0.00 173.24 175.04 1bzo n ALA 52 N -0.26 0.00 -3.50 0.00 0.00 -1.26 -4.14 120.51 111.34 1bzo n ALA 52 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.51 1bzo n ALA 52 Cb 0.28 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.74 1bzo n ALA 52 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1bzo n SER 53 N 0.00 -1.02 -4.05 0.00 3.41 -1.02 0.05 113.62 110.99 1bzo n SER 53 Ca 0.00 -1.56 -0.20 0.00 -0.26 0.00 0.00 58.87 56.86 1bzo n SER 53 Cb 0.00 1.67 -0.15 0.00 -0.26 0.00 0.00 64.21 65.47 1bzo n SER 53 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1bzo s GLU 53 N -2.03 0.84 -0.22 4.33 -6.30 -1.26 -1.51 118.70 112.55 1bzo s GLU 53 Ca 0.13 -0.40 -0.04 0.00 -2.50 0.00 0.00 54.97 52.16 1bzo s GLU 53 Cb -0.02 -0.81 0.10 0.00 0.00 0.00 0.00 34.13 33.40 1bzo s GLU 53 CO 0.04 0.22 0.21 0.21 0.02 0.00 0.00 175.26 175.95 1bzo s LYS 53 N -0.31 0.20 -1.33 4.30 2.47 -0.65 -4.92 119.74 119.49 1bzo s LYS 53 Ca 0.04 0.04 -0.06 0.00 -1.56 0.00 0.00 55.97 54.43 1bzo s LYS 53 Cb -0.04 -1.19 0.02 0.00 -1.46 0.00 0.00 37.83 35.15 1bzo s LYS 53 CO -0.00 -0.75 1.00 -0.25 0.16 0.00 0.00 175.35 175.51 1bzo n ASP 53 N 5.31 -3.83 0.00 1.43 9.92 -1.26 -1.46 116.55 126.66 1bzo n ASP 53 Ca -0.05 -0.66 0.00 0.00 -0.53 0.00 0.00 54.79 53.55 1bzo n ASP 53 Cb 0.48 -4.67 0.00 0.00 -0.64 0.00 0.00 41.12 36.29 1bzo n ASP 53 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1bzo n GLY 53 N -1.61 1.56 0.00 0.44 0.00 -1.26 -5.23 105.19 99.09 1bzo n GLY 53 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1bzo n GLY 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bzo n LYS 53 N -2.00 0.00 -2.99 1.61 5.02 -0.54 -5.15 118.16 114.11 1bzo n LYS 53 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 1bzo n LYS 53 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1bzo n LYS 53 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1bzo s VAL 53 N 2.99 -0.50 0.18 -0.18 1.01 -0.57 -1.63 120.40 121.70 1bzo s VAL 53 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 61.98 61.65 1bzo s VAL 53 Cb 0.00 -0.15 -0.14 0.00 0.00 0.00 0.00 36.38 36.09 1bzo s VAL 53 CO 0.00 0.00 1.47 0.18 0.00 0.00 0.00 175.10 176.75 1bzo n LEU 54 N 4.32 2.85 0.00 3.92 4.32 -1.26 0.80 117.00 131.96 1bzo n LEU 54 Ca 0.08 1.11 0.00 0.00 -0.02 0.00 0.00 56.01 57.18 1bzo n LEU 54 Cb 0.60 -1.39 0.00 0.00 -1.62 0.00 0.00 43.42 41.01 1bzo n LEU 54 CO -0.09 -0.50 0.00 0.61 -1.22 0.00 0.00 177.39 176.19 1bzo n GLY 55 N 2.79 0.27 0.35 -0.72 0.00 -1.23 -4.55 105.19 102.10 1bzo n GLY 55 Ca 0.15 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.35 1bzo n GLY 55 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1bzo h GLY 56 N 0.00 0.00 2.00 -0.02 0.00 0.54 -2.43 103.07 103.17 1bzo h GLY 56 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1bzo h GLY 56 CO 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 176.54 176.50 1bzo h ALA 57 N 1.56 1.06 0.00 3.60 0.00 -0.61 -2.63 119.26 122.25 1bzo h ALA 57 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1bzo h ALA 57 Cb 0.67 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1bzo h ALA 57 CO -0.00 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.30 1bzo n ALA 58 N -2.13 1.95 -0.23 0.00 0.00 -0.91 -4.67 120.51 114.51 1bzo n ALA 58 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1bzo n ALA 58 Cb 0.23 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.40 1bzo n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bzo n GLY 59 N 0.17 -0.68 0.00 0.00 0.00 -0.99 -0.11 105.19 103.57 1bzo n GLY 59 Ca 0.08 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1bzo n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bzo n GLY 60 N 0.00 0.03 3.76 -0.02 0.00 -1.26 -4.67 105.19 103.02 1bzo n GLY 60 Ca 0.00 -1.84 -0.37 0.00 0.00 0.00 0.00 46.02 43.81 1bzo n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1bzo s HIS 61 N -0.19 2.55 0.19 1.61 3.76 -1.26 -1.00 115.29 120.95 1bzo s HIS 61 Ca 0.00 1.48 -0.32 0.00 -0.15 0.00 0.00 55.06 56.07 1bzo s HIS 61 Cb 0.00 -3.54 -0.11 0.00 1.11 0.00 0.00 32.58 30.03 1bzo s HIS 61 CO 0.00 -2.15 1.73 -0.47 -0.85 0.00 0.00 174.74 173.00 1bzo s TYR 62 N -1.48 2.77 -0.41 1.40 5.04 0.15 -4.43 117.35 120.38 1bzo s TYR 62 Ca 0.70 0.29 0.09 0.00 -2.44 0.00 0.00 57.07 55.72 1bzo s TYR 62 Cb -0.33 -4.13 0.33 0.00 0.35 0.00 0.00 41.96 38.18 1bzo s TYR 62 CO 0.38 -4.36 0.88 -3.47 -1.34 0.00 0.00 175.55 167.64 1bzo n ASP 63 N 4.31 -0.52 0.08 4.32 2.03 -1.26 -0.76 116.55 124.75 1bzo n ASP 63 Ca 0.16 -3.27 0.05 0.00 0.52 0.00 0.00 54.79 52.24 1bzo n ASP 63 Cb 0.36 0.43 0.25 0.00 -0.72 0.00 0.00 41.12 41.43 1bzo n ASP 63 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1bzo n PRO 64 N 0.40 0.06 -0.18 -0.67 -0.04 -1.26 -0.40 135.00 132.91 1bzo n PRO 64 Ca 0.17 0.51 0.07 0.00 -0.04 0.00 0.00 63.50 64.22 1bzo n PRO 64 Cb 0.67 -1.79 0.17 0.00 -0.04 0.00 0.00 33.50 32.50 1bzo n PRO 64 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1bzo n GLU 65 N -1.79 2.44 -3.75 0.54 1.02 -1.26 -5.00 120.64 112.84 1bzo n GLU 65 Ca -0.01 -2.03 -0.32 0.00 -0.02 0.00 0.00 57.16 54.78 1bzo n GLU 65 Cb 0.11 -1.33 0.03 0.00 -0.02 0.00 0.00 31.44 30.23 1bzo n GLU 65 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1bzo n HIS 66 N 0.82 -1.88 0.05 -0.32 8.25 0.47 -4.87 115.22 117.73 1bzo n HIS 66 Ca 0.14 0.46 -0.16 0.00 -0.26 0.00 0.00 57.72 57.90 1bzo n HIS 66 Cb 0.45 -3.23 -0.14 0.00 1.12 0.00 0.00 29.99 28.19 1bzo n HIS 66 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1bzo h THR 67 N -1.69 1.11 -0.59 1.59 1.35 -1.89 -3.48 112.91 109.32 1bzo h THR 67 Ca -0.63 -2.79 -0.24 0.00 -0.55 0.00 0.00 66.41 62.21 1bzo h THR 67 Cb 1.35 2.71 -0.09 0.00 -1.73 0.00 0.00 68.15 70.39 1bzo h THR 67 CO 0.46 0.80 -0.22 -3.20 -0.25 0.00 0.00 175.52 173.11 1bzo n ASN 68 N -3.41 -4.36 -4.15 5.36 5.15 -1.26 -4.94 115.26 107.64 1bzo n ASN 68 Ca -0.17 0.27 -0.16 0.00 -0.60 0.00 0.00 54.58 53.93 1bzo n ASN 68 Cb 1.04 -2.90 -0.11 0.00 -0.53 0.00 0.00 39.78 37.27 1bzo n ASN 68 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1bzo s LYS 68 N -3.04 0.78 -0.15 1.20 1.02 -1.26 -5.05 119.74 113.25 1bzo s LYS 68 Ca 0.00 -1.02 -0.05 0.00 0.02 0.00 0.00 55.97 54.92 1bzo s LYS 68 Cb 0.00 -0.60 -0.04 0.00 -0.52 0.00 0.00 37.83 36.68 1bzo s LYS 68 CO 0.00 0.11 0.03 -1.58 -0.92 0.00 0.00 175.35 172.99 1bzo s HIS 69 N -1.84 3.20 0.00 3.18 5.65 -1.26 -0.31 115.29 123.91 1bzo s HIS 69 Ca 0.00 0.05 0.00 0.00 0.25 0.00 0.00 55.06 55.36 1bzo s HIS 69 Cb -0.07 -1.97 0.00 0.00 -1.18 0.00 0.00 32.58 29.36 1bzo s HIS 69 CO 0.01 0.23 0.00 0.41 -0.65 0.00 0.00 174.74 174.74 1bzo n GLY 70 N 3.09 4.26 3.94 1.59 0.00 -1.26 -3.99 105.19 112.81 1bzo n GLY 70 Ca -0.17 -0.53 -0.24 0.00 0.00 0.00 0.00 46.02 45.07 1bzo n GLY 70 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bzo s PHE 71 N 0.23 3.43 -0.94 1.61 0.08 -1.26 -4.55 117.98 116.58 1bzo s PHE 71 Ca 0.00 0.38 0.21 0.00 0.12 0.00 0.00 56.93 57.64 1bzo s PHE 71 Cb 0.00 -2.08 0.90 0.00 -0.57 0.00 0.00 43.02 41.27 1bzo s PHE 71 CO 0.00 -0.08 1.68 -2.30 -0.10 0.00 0.00 175.22 174.42 1bzo n PRO 72 N -1.94 0.03 -0.07 0.24 -0.02 -1.26 -3.09 135.00 128.89 1bzo n PRO 72 Ca -0.02 0.17 0.07 0.00 -2.02 0.00 0.00 63.50 61.69 1bzo n PRO 72 Cb 0.56 -1.55 0.09 0.00 -0.02 0.00 0.00 33.50 32.59 1bzo n PRO 72 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1bzo n TRP 73 N -1.61 0.00 -4.74 6.00 2.14 -1.26 -4.33 117.44 113.64 1bzo n TRP 73 Ca 0.05 -0.81 -0.32 0.00 2.07 0.00 0.00 57.50 58.49 1bzo n TRP 73 Cb 0.26 -0.12 -0.12 0.00 -0.81 0.00 0.00 31.31 30.52 1bzo n TRP 73 CO 0.00 0.00 0.00 0.95 2.07 0.00 0.00 177.69 180.71 1bzo s THR 74 N -2.21 3.11 -0.01 -1.67 -4.23 -1.18 -5.07 115.64 104.38 1bzo s THR 74 Ca 0.22 -0.85 0.05 0.00 -1.18 0.00 0.00 61.69 59.93 1bzo s THR 74 Cb 0.19 -2.27 -0.24 0.00 1.34 0.00 0.00 72.50 71.52 1bzo s THR 74 CO 0.02 0.49 0.81 0.44 -0.54 0.00 0.00 174.62 175.83 1bzo h ASP 75 N 4.97 0.15 -0.48 3.99 3.32 -1.93 -3.40 116.42 123.04 1bzo h ASP 75 Ca -0.47 -0.24 -0.30 0.00 0.02 0.00 0.00 57.03 56.04 1bzo h ASP 75 Cb 1.16 -0.05 -0.11 0.00 0.22 0.00 0.00 39.33 40.55 1bzo h ASP 75 CO 0.50 1.21 0.17 -0.67 -1.72 0.00 0.00 179.24 178.73 1bzo n ASP 76 N -3.26 6.03 -3.20 6.45 2.03 -1.26 -4.89 116.55 118.45 1bzo n ASP 76 Ca -0.15 -2.88 -0.13 0.00 0.52 0.00 0.00 54.79 52.15 1bzo n ASP 76 Cb 1.03 -1.20 -0.03 0.00 -0.72 0.00 0.00 41.12 40.20 1bzo n ASP 76 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1bzo s ASN 77 N 0.91 0.66 0.19 1.67 4.22 -1.26 -4.62 114.94 116.70 1bzo s ASN 77 Ca 0.42 -1.38 -0.32 0.00 -2.14 0.00 0.00 52.86 49.44 1bzo s ASN 77 Cb 0.26 0.71 -0.15 0.00 1.28 0.00 0.00 41.25 43.34 1bzo s ASN 77 CO -0.07 -1.39 1.12 1.41 -2.04 0.00 0.00 177.10 176.14 1bzo n HIS 78 N -0.55 1.25 0.23 1.54 8.25 0.58 -4.84 115.22 121.67 1bzo n HIS 78 Ca -0.01 0.69 0.07 0.00 -0.26 0.00 0.00 57.72 58.21 1bzo n HIS 78 Cb 0.61 -2.27 0.54 0.00 1.12 0.00 0.00 29.99 29.99 1bzo n HIS 78 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1bzo h LYS 79 N 3.10 0.00 -0.79 -0.41 3.64 -1.75 -2.92 116.57 117.45 1bzo h LYS 79 Ca -0.42 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 58.89 1bzo h LYS 79 Cb 1.35 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.13 1bzo h LYS 79 CO 0.68 0.21 0.08 0.41 -2.27 0.00 0.00 179.45 178.57 1bzo n GLY 80 N -0.72 2.68 3.63 5.01 0.00 0.06 -4.84 105.19 111.00 1bzo n GLY 80 Ca -0.02 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 1bzo n GLY 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bzo s ASP 81 N -0.49 6.86 0.36 1.61 1.01 -1.10 -1.00 116.67 123.92 1bzo s ASP 81 Ca 0.35 0.91 0.08 0.00 0.71 0.00 0.00 52.55 54.60 1bzo s ASP 81 Cb 0.27 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.64 1bzo s ASP 81 CO 0.10 -0.91 0.21 -0.76 0.21 0.00 0.00 175.17 174.02 1bzo s LEU 82 N 3.69 3.32 0.60 1.23 1.43 -1.18 -4.14 118.68 123.63 1bzo s LEU 82 Ca 0.44 -0.76 -0.18 0.00 -1.03 0.00 0.00 54.13 52.60 1bzo s LEU 82 Cb -0.12 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 1bzo s LEU 82 CO 0.17 -0.39 1.17 -2.84 0.23 0.00 0.00 176.35 174.70 1bzo s PRO 83 N -3.92 2.97 0.50 1.29 0.02 -1.26 -4.66 135.00 129.93 1bzo s PRO 83 Ca 0.40 1.71 -0.22 0.00 0.02 0.00 0.00 61.00 62.91 1bzo s PRO 83 Cb -0.02 -1.94 -0.06 0.00 0.02 0.00 0.00 34.50 32.49 1bzo s PRO 83 CO 0.24 -1.18 1.21 0.00 -0.33 0.00 0.00 177.00 176.94 1bzo s ALA 84 N -1.77 2.87 -0.31 -1.55 0.00 -1.26 -4.60 121.76 115.14 1bzo s ALA 84 Ca 0.75 1.03 -0.18 0.00 0.00 0.00 0.00 51.96 53.55 1bzo s ALA 84 Cb -0.27 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.40 1bzo s ALA 84 CO 0.34 -0.89 0.53 -1.17 0.00 0.00 0.00 175.76 174.57 1bzo s LEU 85 N -3.31 4.20 0.03 0.00 2.96 -0.70 -4.86 118.68 117.00 1bzo s LEU 85 Ca 0.68 0.24 -0.26 0.00 -0.22 0.00 0.00 54.13 54.57 1bzo s LEU 85 Cb -0.31 -2.65 -0.05 0.00 0.50 0.00 0.00 46.19 43.68 1bzo s LEU 85 CO 0.37 -0.41 0.81 0.12 -1.32 0.00 0.00 176.35 175.91 1bzo s PHE 86 N 2.40 3.71 -0.14 5.38 5.36 -1.26 -1.25 117.98 132.17 1bzo s PHE 86 Ca 0.21 1.50 0.01 0.00 -0.96 0.00 0.00 56.93 57.69 1bzo s PHE 86 Cb -0.15 -2.89 0.00 0.00 -0.34 0.00 0.00 43.02 39.64 1bzo s PHE 86 CO 0.12 0.19 -0.18 0.08 -1.46 0.00 0.00 175.22 173.97 1bzo s VAL 87 N 0.25 2.47 0.99 3.12 1.01 1.13 -4.49 120.40 124.88 1bzo s VAL 87 Ca 0.41 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 61.43 1bzo s VAL 87 Cb -0.20 -2.02 0.19 0.00 0.00 0.00 0.00 36.38 34.34 1bzo s VAL 87 CO 0.24 0.53 1.08 -0.44 0.00 0.00 0.00 175.10 176.51 1bzo s SER 88 N 0.75 2.48 0.38 3.32 0.01 0.92 -1.06 113.70 120.49 1bzo s SER 88 Ca -0.07 1.64 0.19 0.00 1.31 0.00 0.00 55.95 59.01 1bzo s SER 88 Cb -0.16 -2.29 1.15 0.00 0.21 0.00 0.00 66.02 64.94 1bzo s SER 88 CO 0.01 -3.29 1.70 0.00 0.41 0.00 0.00 173.24 172.07 1bzo h ALA 89 N -2.00 2.23 -0.08 1.44 0.00 -1.95 0.53 119.26 119.42 1bzo h ALA 89 Ca -0.52 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1bzo h ALA 89 Cb 1.30 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1bzo h ALA 89 CO 0.50 -0.74 0.00 0.27 0.00 0.00 0.00 179.25 179.28 1bzo n ASN 90 N -4.78 0.55 0.00 0.00 2.04 -1.26 -4.81 115.26 106.99 1bzo n ASN 90 Ca 0.30 -1.79 0.00 0.00 -0.44 0.00 0.00 54.58 52.65 1bzo n ASN 90 Cb 1.02 -0.05 0.00 0.00 -2.53 0.00 0.00 39.78 38.21 1bzo n ASN 90 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1bzo n GLY 91 N 0.77 0.63 3.89 4.83 0.00 0.18 -4.73 105.19 110.76 1bzo n GLY 91 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 1bzo n GLY 91 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bzo s LEU 92 N 0.00 4.39 -0.23 0.99 1.43 -1.25 -2.05 118.68 121.96 1bzo s LEU 92 Ca 0.00 0.45 0.02 0.00 -1.03 0.00 0.00 54.13 53.58 1bzo s LEU 92 Cb 0.00 -2.32 0.05 0.00 0.03 0.00 0.00 46.19 43.95 1bzo s LEU 92 CO 0.00 0.35 -0.13 0.00 0.23 0.00 0.00 176.35 176.80 1bzo s ALA 93 N -1.15 2.41 0.00 4.21 0.00 -0.91 -0.06 121.76 126.26 1bzo s ALA 93 Ca 0.20 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.62 1bzo s ALA 93 Cb -0.12 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.55 1bzo s ALA 93 CO 0.10 -0.95 0.40 0.25 0.00 0.00 0.00 175.76 175.56 1bzo n THR 94 N 4.52 0.08 -3.00 0.00 -2.24 -1.26 -2.43 114.28 109.95 1bzo n THR 94 Ca -0.16 -0.09 -0.42 0.00 -2.27 0.00 0.00 64.05 61.11 1bzo n THR 94 Cb 0.45 1.24 -0.05 0.00 -2.10 0.00 0.00 70.33 69.86 1bzo n THR 94 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1bzo s ASN 95 N -0.08 6.59 0.52 3.42 3.04 -1.26 -4.72 114.94 122.46 1bzo s ASN 95 Ca 0.00 0.53 -0.19 0.00 0.04 0.00 0.00 52.86 53.24 1bzo s ASN 95 Cb 0.00 -2.38 -0.07 0.00 -1.54 0.00 0.00 41.25 37.26 1bzo s ASN 95 CO 0.00 -0.60 1.06 -2.16 -3.04 0.00 0.00 177.10 172.36 1bzo s PRO 96 N 2.89 3.59 0.07 0.43 0.04 -1.26 -4.63 135.00 136.13 1bzo s PRO 96 Ca 0.30 1.38 0.03 0.00 0.04 0.00 0.00 61.00 62.75 1bzo s PRO 96 Cb -0.14 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 1bzo s PRO 96 CO 0.13 -0.61 -0.10 0.14 0.04 0.00 0.00 177.00 176.60 1bzo s VAL 97 N -2.05 0.81 -0.09 -0.36 -7.23 -0.34 -4.98 120.40 106.16 1bzo s VAL 97 Ca 0.68 -1.43 -0.01 0.00 -1.81 0.00 0.00 61.98 59.41 1bzo s VAL 97 Cb -0.18 -1.10 -0.03 0.00 0.56 0.00 0.00 36.38 35.64 1bzo s VAL 97 CO 0.25 -0.48 -0.05 -0.22 -0.31 0.00 0.00 175.10 174.30 1bzo s LEU 98 N -2.10 3.29 -0.37 1.32 2.96 -1.26 -0.55 118.68 121.97 1bzo s LEU 98 Ca -0.00 0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.94 1bzo s LEU 98 Cb -0.06 -1.74 0.11 0.00 0.50 0.00 0.00 46.19 45.01 1bzo s LEU 98 CO 0.00 0.34 0.12 0.00 -1.32 0.00 0.00 176.35 175.48 1bzo s ALA 99 N -0.66 2.45 0.39 5.97 0.00 -0.03 -4.67 121.76 125.21 1bzo s ALA 99 Ca 0.10 -2.38 0.26 0.00 0.00 0.00 0.00 51.96 49.93 1bzo s ALA 99 Cb -0.12 -1.88 1.34 0.00 0.00 0.00 0.00 23.12 22.46 1bzo s ALA 99 CO 0.02 -1.77 2.03 -1.00 0.00 0.00 0.00 175.76 175.04 1bzo h PRO 100 N 7.50 0.00 -0.01 0.00 0.13 -1.79 -1.82 132.00 136.01 1bzo h PRO 100 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1bzo h PRO 100 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1bzo h PRO 100 CO 0.52 0.15 -0.06 0.54 -0.23 0.00 0.00 178.00 178.92 1bzo n ARG 101 N -3.67 1.11 -3.82 0.86 1.74 -1.26 -4.49 116.66 107.12 1bzo n ARG 101 Ca -0.02 -0.46 -0.21 0.00 -0.77 0.00 0.00 57.85 56.39 1bzo n ARG 101 Cb 0.27 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.18 1bzo n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1bzo s LEU 102 N -2.21 3.61 0.03 0.55 1.43 -1.16 -5.05 118.68 115.88 1bzo s LEU 102 Ca 0.36 -0.48 0.07 0.00 -1.03 0.00 0.00 54.13 53.05 1bzo s LEU 102 Cb 0.21 -2.22 -0.02 0.00 0.03 0.00 0.00 46.19 44.18 1bzo s LEU 102 CO 0.41 -0.34 -0.21 0.42 0.23 0.00 0.00 176.35 176.85 1bzo s THR 103 N -2.30 1.71 0.22 5.49 -4.23 -1.26 -3.66 115.64 111.61 1bzo s THR 103 Ca 0.41 -1.14 -0.08 0.00 -1.18 0.00 0.00 61.69 59.70 1bzo s THR 103 Cb -0.06 -1.46 0.16 0.00 1.34 0.00 0.00 72.50 72.48 1bzo s THR 103 CO 0.26 0.29 1.83 0.25 -0.54 0.00 0.00 174.62 176.71 1bzo h LEU 107 N 5.06 0.66 -0.64 4.79 6.46 -1.94 -2.98 115.31 126.73 1bzo h LEU 107 Ca -0.42 0.02 0.11 0.00 -0.12 0.00 0.00 57.88 57.47 1bzo h LEU 107 Cb 1.15 -0.12 -0.08 0.00 -0.73 0.00 0.00 40.66 40.89 1bzo h LEU 107 CO 0.45 0.43 0.22 0.11 -0.62 0.00 0.00 178.44 179.03 1bzo h LYS 108 N 0.80 0.37 0.00 1.25 1.57 -1.99 -2.03 116.57 116.54 1bzo h LYS 108 Ca 0.32 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1bzo h LYS 108 Cb 0.15 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1bzo h LYS 108 CO -0.16 0.25 0.00 -0.85 -0.57 0.00 0.00 179.45 178.11 1bzo n GLU 109 N -5.03 0.13 0.17 3.15 0.28 -1.13 -3.64 120.64 114.59 1bzo n GLU 109 Ca 0.10 0.30 0.06 0.00 -0.16 0.00 0.00 57.16 57.46 1bzo n GLU 109 Cb 0.32 -1.72 0.15 0.00 1.43 0.00 0.00 31.44 31.62 1bzo n GLU 109 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1bzo h LEU 110 N 0.00 0.00 -9.58 -1.84 3.38 -1.40 -3.46 115.31 102.42 1bzo h LEU 110 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 1bzo h LEU 110 Cb 0.41 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.24 1bzo h LEU 110 CO 0.00 0.36 0.63 0.29 0.09 0.00 0.00 178.44 179.81 1bzo n LYS 111 N -3.25 2.04 -0.69 1.13 5.02 -1.24 -1.09 118.16 120.08 1bzo n LYS 111 Ca 0.02 0.73 0.00 0.00 -2.02 0.00 0.00 58.31 57.03 1bzo n LYS 111 Cb 0.63 -2.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.24 1bzo n LYS 111 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bzo n GLY 112 N 2.30 1.36 3.57 0.72 0.00 0.16 -5.01 105.19 108.28 1bzo n GLY 112 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 1bzo n GLY 112 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1bzo n HIS 113 N -2.00 -2.68 -5.03 1.61 8.25 -0.25 -1.62 115.22 113.49 1bzo n HIS 113 Ca 0.00 -1.77 -0.27 0.00 -0.26 0.00 0.00 57.72 55.42 1bzo n HIS 113 Cb 0.00 -0.59 -0.16 0.00 1.12 0.00 0.00 29.99 30.36 1bzo n HIS 113 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bzo s ALA 114 N -2.90 1.75 -0.17 -1.41 0.00 -1.17 -0.36 121.76 117.49 1bzo s ALA 114 Ca 0.58 -0.90 -0.11 0.00 0.00 0.00 0.00 51.96 51.53 1bzo s ALA 114 Cb -0.04 -0.46 -0.05 0.00 0.00 0.00 0.00 23.12 22.58 1bzo s ALA 114 CO 0.38 0.42 0.19 0.42 0.00 0.00 0.00 175.76 177.17 1bzo s ILE 115 N -0.45 5.38 -0.05 0.00 -1.09 0.17 -0.85 121.20 124.32 1bzo s ILE 115 Ca 0.07 0.33 0.04 0.00 -2.23 0.00 0.00 60.65 58.87 1bzo s ILE 115 Cb -0.09 -3.52 -0.02 0.00 -1.58 0.00 0.00 42.46 37.25 1bzo s ILE 115 CO -0.00 0.45 -0.17 -0.32 -1.23 0.00 0.00 174.94 173.67 1bzo s MET 116 N 0.18 2.44 -0.14 2.79 1.75 -0.36 -2.16 119.30 123.82 1bzo s MET 116 Ca 0.12 -0.75 0.01 0.00 -1.25 0.00 0.00 55.69 53.82 1bzo s MET 116 Cb -0.12 -2.31 -0.01 0.00 2.84 0.00 0.00 34.83 35.23 1bzo s MET 116 CO 0.01 0.60 -0.15 0.42 -0.65 0.00 0.00 175.02 175.24 1bzo s ILE 117 N -0.68 2.75 0.42 10.11 1.01 0.32 -2.40 121.20 132.73 1bzo s ILE 117 Ca 0.10 -0.76 0.06 0.00 0.00 0.00 0.00 60.65 60.06 1bzo s ILE 117 Cb -0.11 -2.15 0.01 0.00 0.01 0.00 0.00 42.46 40.23 1bzo s ILE 117 CO 0.00 0.52 0.57 -1.00 0.00 0.00 0.00 174.94 175.04 1bzo s HIS 118 N 0.53 2.91 0.00 3.97 3.76 -0.25 0.05 115.29 126.27 1bzo s HIS 118 Ca -0.10 -0.28 -0.20 0.00 -0.15 0.00 0.00 55.06 54.33 1bzo s HIS 118 Cb -0.16 -2.33 -0.22 0.00 1.11 0.00 0.00 32.58 30.98 1bzo s HIS 118 CO 0.04 -0.37 1.12 0.00 -0.85 0.00 0.00 174.74 174.68 1bzo h ALA 119 N 0.62 0.09 -3.57 -1.40 0.00 -0.90 -3.38 119.26 110.73 1bzo h ALA 119 Ca -0.42 -0.53 -0.35 0.00 0.00 0.00 0.00 54.91 53.61 1bzo h ALA 119 Cb 1.27 0.02 0.15 0.00 0.00 0.00 0.00 17.79 19.24 1bzo h ALA 119 CO 0.48 0.29 0.25 0.41 0.00 0.00 0.00 179.25 180.69 1bzo n GLY 120 N 0.96 -1.94 0.00 0.00 0.00 0.17 -4.88 105.19 99.50 1bzo n GLY 120 Ca -0.10 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.31 1bzo n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bzo n GLY 121 N -2.77 0.69 2.71 -0.02 0.00 -1.23 -1.29 105.19 103.29 1bzo n GLY 121 Ca 0.13 -1.80 -0.20 0.00 0.00 0.00 0.00 46.02 44.16 1bzo n GLY 121 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bzo s ASP 122 N -1.00 1.91 0.00 1.61 -1.08 -1.24 -2.88 116.67 113.98 1bzo s ASP 122 Ca 0.00 -0.61 0.24 0.00 -0.52 0.00 0.00 52.55 51.66 1bzo s ASP 122 Cb 0.00 0.27 0.84 0.00 -1.46 0.00 0.00 42.92 42.57 1bzo s ASP 122 CO 0.00 -0.37 1.61 -0.46 0.52 0.00 0.00 175.17 176.47 1bzo n ASN 123 N 5.30 1.71 -3.56 -0.34 6.94 -0.51 -4.92 115.26 119.87 1bzo n ASN 123 Ca -0.04 -1.64 -0.21 0.00 -0.02 0.00 0.00 54.58 52.66 1bzo n ASN 123 Cb 0.47 -0.07 0.08 0.00 -2.36 0.00 0.00 39.78 37.90 1bzo n ASN 123 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1bzo n HIS 124 N 0.34 -2.46 -3.54 -2.53 8.25 -1.26 -4.99 115.22 109.03 1bzo n HIS 124 Ca 0.17 0.96 -0.11 0.00 -0.26 0.00 0.00 57.72 58.49 1bzo n HIS 124 Cb 0.36 -4.92 -0.02 0.00 1.12 0.00 0.00 29.99 26.53 1bzo n HIS 124 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1bzo s SER 125 N -3.85 -0.48 0.00 0.41 0.15 -1.26 -4.28 113.70 104.39 1bzo s SER 125 Ca 0.29 -0.17 0.26 0.00 0.70 0.00 0.00 55.95 57.04 1bzo s SER 125 Cb -0.13 0.63 0.67 0.00 -1.71 0.00 0.00 66.02 65.47 1bzo s SER 125 CO 0.75 -1.06 1.53 0.47 1.20 0.00 0.00 173.24 176.13 1bzo n ASP 130 N -0.39 2.15 -4.27 5.45 8.00 -1.26 0.18 116.55 126.40 1bzo n ASP 130 Ca -0.14 -1.71 -0.27 0.00 0.71 0.00 0.00 54.79 53.38 1bzo n ASP 130 Cb 0.63 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.59 1bzo n ASP 130 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1bzo s MET 131 N -2.01 1.54 0.00 -1.24 -1.94 -1.26 -3.32 119.30 111.07 1bzo s MET 131 Ca 0.33 -0.96 0.30 0.00 -1.71 0.00 0.00 55.69 53.65 1bzo s MET 131 Cb 0.21 -1.64 1.40 0.00 2.01 0.00 0.00 34.83 36.80 1bzo s MET 131 CO 0.32 0.43 1.95 -0.35 -0.01 0.00 0.00 175.02 177.36 1bzo n PRO 132 N 1.93 0.99 -4.92 2.03 -0.04 -1.26 -4.94 135.00 128.79 1bzo n PRO 132 Ca -0.17 -0.32 -0.26 0.00 -0.04 0.00 0.00 63.50 62.71 1bzo n PRO 132 Cb 0.53 -1.49 -0.16 0.00 -0.04 0.00 0.00 33.50 32.34 1bzo n PRO 132 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1bzo s LYS 133 N -2.23 1.64 0.94 0.54 2.20 -1.23 -5.07 119.74 116.54 1bzo s LYS 133 Ca 0.37 -0.68 -0.11 0.00 -0.36 0.00 0.00 55.97 55.19 1bzo s LYS 133 Cb 0.21 -1.54 0.13 0.00 -1.51 0.00 0.00 37.83 35.12 1bzo s LYS 133 CO 0.41 0.37 0.95 0.00 -0.36 0.00 0.00 175.35 176.72 1bzo n ALA 134 N 2.74 -1.40 -3.48 3.13 0.00 -1.21 -2.97 120.51 117.32 1bzo n ALA 134 Ca -0.16 -0.61 -0.24 0.00 0.00 0.00 0.00 53.44 52.43 1bzo n ALA 134 Cb 0.53 -2.08 -0.02 0.00 0.00 0.00 0.00 19.45 17.88 1bzo n ALA 134 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1bzo n LEU 135 N -3.56 -1.26 -0.00 0.00 4.77 -1.26 -1.19 117.00 114.50 1bzo n LEU 135 Ca 0.10 -0.44 -0.00 0.00 -0.03 0.00 0.00 56.01 55.64 1bzo n LEU 135 Cb 0.53 -1.91 -0.00 0.00 -2.33 0.00 0.00 43.42 39.71 1bzo n LEU 135 CO 0.50 0.13 -0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1bzo n GLY 136 N -1.08 0.38 2.14 -0.72 0.00 0.13 -3.56 105.19 102.47 1bzo n GLY 136 Ca 0.01 -0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 1bzo n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bzo n GLY 137 N -2.04 0.75 0.23 -0.02 0.00 -0.34 -1.43 105.19 102.36 1bzo n GLY 137 Ca -0.00 -0.84 -0.02 0.00 0.00 0.00 0.00 46.02 45.16 1bzo n GLY 137 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1bzo h GLY 138 N 0.00 0.44 0.00 -0.02 0.00 -1.58 -3.25 103.07 98.66 1bzo h GLY 138 Ca -0.10 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1bzo h GLY 138 CO 0.15 0.31 0.00 0.61 0.00 0.00 0.00 176.54 177.61 1bzo n GLY 139 N -0.48 2.57 3.60 4.60 0.00 -1.26 0.45 105.19 114.67 1bzo n GLY 139 Ca -0.00 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 1bzo n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bzo n ALA 140 N 10.33 -0.95 -2.72 4.61 0.00 -1.26 -4.75 120.51 125.78 1bzo n ALA 140 Ca 0.00 -0.44 -0.37 0.00 0.00 0.00 0.00 53.44 52.64 1bzo n ALA 140 Cb 0.00 -2.09 -0.07 0.00 0.00 0.00 0.00 19.45 17.29 1bzo n ALA 140 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1bzo s ARG 141 N -3.98 4.06 -0.02 0.00 0.52 -1.26 -1.01 118.95 117.26 1bzo s ARG 141 Ca 0.67 0.08 0.03 0.00 -0.52 0.00 0.00 55.73 55.99 1bzo s ARG 141 Cb -0.27 -3.35 -0.04 0.00 0.52 0.00 0.00 34.95 31.81 1bzo s ARG 141 CO 0.57 0.41 0.03 1.33 0.02 0.00 0.00 175.30 177.66 1bzo n VAL 142 N 3.02 0.12 -3.94 3.52 0.24 0.11 -4.78 118.33 116.62 1bzo n VAL 142 Ca -0.14 -0.10 -0.13 0.00 -2.04 0.00 0.00 64.34 61.93 1bzo n VAL 142 Cb 0.52 -0.44 -0.14 0.00 -1.47 0.00 0.00 33.84 32.32 1bzo n VAL 142 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bzo s ALA 143 N -2.12 0.10 0.02 2.33 0.00 -0.95 0.13 121.76 121.28 1bzo s ALA 143 Ca -0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 51.96 51.84 1bzo s ALA 143 Cb 0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 1bzo s ALA 143 CO 0.12 0.02 0.03 0.00 0.00 0.00 0.00 175.76 175.93 1bzo s GLY 145 N -1.79 -0.43 -0.14 0.00 0.00 -0.92 -0.46 107.32 103.58 1bzo s GLY 145 Ca -0.10 2.09 -0.20 0.00 0.00 0.00 0.00 44.72 46.51 1bzo s GLY 145 CO -0.02 1.62 0.56 0.14 0.00 0.00 0.00 173.10 175.40 1bzo s VAL 146 N 0.05 5.11 -0.44 1.40 1.01 -1.26 0.45 120.40 126.72 1bzo s VAL 146 Ca -0.01 1.09 -0.25 0.00 0.00 0.00 0.00 61.98 62.81 1bzo s VAL 146 Cb -0.04 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 32.48 1bzo s VAL 146 CO 0.00 0.24 0.91 -0.63 0.00 0.00 0.00 175.10 175.62 1bzo s ILE 147 N 1.13 4.51 -2.76 2.22 1.09 0.51 -4.75 121.20 123.15 1bzo s ILE 147 Ca 0.28 0.80 0.22 0.00 -1.10 0.00 0.00 60.65 60.85 1bzo s ILE 147 Cb -0.16 -4.41 0.17 0.00 -1.06 0.00 0.00 42.46 37.01 1bzo s ILE 147 CO 0.11 -0.77 1.20 0.00 -0.10 0.00 0.00 174.94 175.38