#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1azr s GLN 2 N 0.00 3.90 -1.17 0.00 2.00 -1.26 -4.28 119.66 118.85 1azr s GLN 2 Ca 0.00 0.06 -0.12 0.00 -2.00 0.00 0.00 55.36 53.30 1azr s GLN 2 Cb 0.00 -3.30 0.11 0.00 0.80 0.00 0.00 33.01 30.62 1azr s GLN 2 CO 0.00 0.53 0.41 0.00 -0.50 0.00 0.00 175.29 175.73 1azr s SER 4 N -2.72 -0.39 0.04 0.00 1.04 -1.26 -1.42 113.70 108.99 1azr s SER 4 Ca 0.45 -0.16 -0.16 0.00 0.48 0.00 0.00 55.95 56.56 1azr s SER 4 Cb -0.25 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.42 1azr s SER 4 CO 0.55 -0.90 0.35 0.54 0.98 0.00 0.00 173.24 174.77 1azr s VAL 5 N -3.48 0.07 -0.11 5.02 0.11 -0.90 -4.36 120.40 116.75 1azr s VAL 5 Ca 0.06 -0.57 0.01 0.00 -2.93 0.00 0.00 61.98 58.55 1azr s VAL 5 Cb -0.02 -0.93 -0.02 0.00 -1.53 0.00 0.00 36.38 33.88 1azr s VAL 5 CO -0.06 -0.31 -0.12 -1.81 -3.33 0.00 0.00 175.10 169.46 1azr s ASP 6 N -2.00 4.11 0.05 3.54 1.11 -1.26 -1.97 116.67 120.25 1azr s ASP 6 Ca -0.06 -0.26 0.02 0.00 0.18 0.00 0.00 52.55 52.43 1azr s ASP 6 Cb -0.01 -1.41 -0.03 0.00 1.07 0.00 0.00 42.92 42.54 1azr s ASP 6 CO -0.02 0.22 -0.07 -0.51 1.18 0.00 0.00 175.17 175.97 1azr s ILE 7 N 0.02 0.51 -0.07 0.77 2.07 -0.60 -4.98 121.20 118.91 1azr s ILE 7 Ca -0.04 -1.18 0.02 0.00 -1.41 0.00 0.00 60.65 58.04 1azr s ILE 7 Cb -0.14 -0.72 0.02 0.00 0.13 0.00 0.00 42.46 41.74 1azr s ILE 7 CO 0.04 -0.47 -0.11 -1.10 -1.91 0.00 0.00 174.94 171.39 1azr s GLN 8 N -1.90 1.63 -0.28 3.50 -0.21 -1.26 -1.74 119.66 119.40 1azr s GLN 8 Ca -0.08 -0.38 -0.10 0.00 0.02 0.00 0.00 55.36 54.83 1azr s GLN 8 Cb -0.08 -1.40 -0.03 0.00 1.00 0.00 0.00 33.01 32.50 1azr s GLN 8 CO -0.01 -0.02 0.15 0.20 -2.12 0.00 0.00 175.29 173.49 1azr s GLY 9 N 0.82 1.87 0.02 3.09 0.00 -0.99 -0.98 107.32 111.14 1azr s GLY 9 Ca -0.12 -1.17 0.00 0.00 0.00 0.00 0.00 44.72 43.43 1azr s GLY 9 CO 0.02 0.63 0.03 1.16 0.00 0.00 0.00 173.10 174.94 1azr n ASN 10 N 5.00 0.06 -0.52 1.64 0.23 -0.50 -3.81 115.26 117.36 1azr n ASN 10 Ca -0.15 -1.04 0.12 0.00 -0.53 0.00 0.00 54.58 52.98 1azr n ASN 10 Cb 0.51 -0.02 0.44 0.00 -2.08 0.00 0.00 39.78 38.63 1azr n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1azr n ASP 11 N -2.99 1.60 -1.02 0.53 8.00 -1.26 -3.53 116.55 117.88 1azr n ASP 11 Ca 0.01 -1.62 0.08 0.00 0.71 0.00 0.00 54.79 53.97 1azr n ASP 11 Cb 0.02 -0.06 0.27 0.00 -0.02 0.00 0.00 41.12 41.33 1azr n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1azr n GLN 12 N 0.26 3.20 -3.43 -1.24 6.02 -1.26 -4.97 117.38 115.96 1azr n GLN 12 Ca 0.17 -2.81 -0.19 0.00 -0.01 0.00 0.00 57.00 54.17 1azr n GLN 12 Cb 0.34 -1.84 0.08 0.00 1.02 0.00 0.00 30.24 29.84 1azr n GLN 12 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1azr n MET 13 N -0.20 -6.78 -4.74 -1.09 2.81 -1.23 -5.03 117.12 100.87 1azr n MET 13 Ca 0.21 0.80 -0.24 0.00 -1.81 0.00 0.00 57.70 56.66 1azr n MET 13 Cb 0.88 -5.72 -0.16 0.00 -0.71 0.00 0.00 33.22 27.52 1azr n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1azr s GLN 14 N -5.63 1.45 0.25 0.03 -0.21 -1.26 -4.29 119.66 110.01 1azr s GLN 14 Ca 0.20 -0.55 -0.08 0.00 0.02 0.00 0.00 55.36 54.95 1azr s GLN 14 Cb -0.09 -1.33 -0.06 0.00 1.00 0.00 0.00 33.01 32.53 1azr s GLN 14 CO 0.70 0.27 0.55 -0.06 -2.12 0.00 0.00 175.29 174.63 1azr s PHE 15 N -0.12 3.45 -2.07 0.91 0.08 -1.26 -1.41 117.98 117.56 1azr s PHE 15 Ca 0.01 0.79 0.16 0.00 0.12 0.00 0.00 56.93 58.01 1azr s PHE 15 Cb -0.09 -2.20 0.84 0.00 -0.57 0.00 0.00 43.02 41.00 1azr s PHE 15 CO 0.01 0.22 1.56 0.27 -0.10 0.00 0.00 175.22 177.18 1azr n ASN 16 N -0.46 0.51 -3.90 1.36 6.94 -0.16 -4.85 115.26 114.71 1azr n ASN 16 Ca -0.00 -1.59 -0.10 0.00 -0.02 0.00 0.00 54.58 52.86 1azr n ASN 16 Cb 0.53 -0.04 -0.09 0.00 -2.36 0.00 0.00 39.78 37.82 1azr n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1azr s THR 17 N -1.92 0.11 -0.36 5.53 -1.32 -1.26 -4.98 115.64 111.44 1azr s THR 17 Ca 0.25 -0.93 0.08 0.00 -1.21 0.00 0.00 61.69 59.88 1azr s THR 17 Cb 0.12 -0.73 -0.08 0.00 -1.51 0.00 0.00 72.50 70.30 1azr s THR 17 CO 0.20 -0.51 0.32 0.59 -2.21 0.00 0.00 174.62 173.01 1azr n ASN 18 N 1.00 0.38 -3.81 8.08 5.03 -1.26 -4.87 115.26 119.81 1azr n ASN 18 Ca -0.20 -0.68 -0.12 0.00 0.87 0.00 0.00 54.58 54.45 1azr n ASN 18 Cb 0.57 1.00 -0.10 0.00 -1.02 0.00 0.00 39.78 40.24 1azr n ASN 18 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1azr s ALA 19 N -1.73 -0.56 -0.01 5.41 0.00 -1.26 -2.08 121.76 121.53 1azr s ALA 19 Ca 0.03 0.22 0.02 0.00 0.00 0.00 0.00 51.96 52.22 1azr s ALA 19 Cb 0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 23.12 23.16 1azr s ALA 19 CO 0.31 -0.21 -0.05 0.42 0.00 0.00 0.00 175.76 176.23 1azr s ILE 20 N -1.04 0.46 0.11 0.00 1.01 -0.39 -4.96 121.20 116.37 1azr s ILE 20 Ca -0.11 -0.22 0.09 0.00 0.00 0.00 0.00 60.65 60.40 1azr s ILE 20 Cb -0.05 -0.40 -0.04 0.00 0.01 0.00 0.00 42.46 41.98 1azr s ILE 20 CO 0.02 0.14 -0.18 0.42 0.00 0.00 0.00 174.94 175.35 1azr s THR 21 N 0.01 2.86 -0.11 2.92 -4.23 -1.26 -1.70 115.64 114.12 1azr s THR 21 Ca 0.00 -1.45 0.01 0.00 -1.18 0.00 0.00 61.69 59.07 1azr s THR 21 Cb -0.04 -2.30 0.02 0.00 1.34 0.00 0.00 72.50 71.52 1azr s THR 21 CO -0.00 0.13 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.39 1azr s VAL 22 N -1.12 1.37 0.10 2.29 1.01 0.19 -4.91 120.40 119.34 1azr s VAL 22 Ca 0.18 -0.55 -0.31 0.00 0.00 0.00 0.00 61.98 61.30 1azr s VAL 22 Cb -0.11 -1.28 -0.08 0.00 0.00 0.00 0.00 36.38 34.91 1azr s VAL 22 CO 0.10 0.42 1.47 -0.62 0.00 0.00 0.00 175.10 176.46 1azr s ASP 23 N 1.17 6.74 0.33 3.32 -1.08 -1.26 0.10 116.67 126.00 1azr s ASP 23 Ca -0.03 2.38 0.24 0.00 -0.52 0.00 0.00 52.55 54.62 1azr s ASP 23 Cb -0.14 -2.58 1.21 0.00 -1.46 0.00 0.00 42.92 39.94 1azr s ASP 23 CO -0.04 -0.73 1.73 0.50 0.52 0.00 0.00 175.17 177.15 1azr h LYS 24 N 7.15 0.00 0.00 4.34 3.64 -1.94 -1.76 116.57 128.00 1azr h LYS 24 Ca -0.42 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.94 1azr h LYS 24 Cb 1.20 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1azr h LYS 24 CO 0.89 0.00 -0.12 0.77 -2.27 0.00 0.00 179.45 178.72 1azr h SER 25 N 0.00 0.00 -3.86 4.20 0.02 -1.90 -3.45 113.55 108.55 1azr h SER 25 Ca 0.00 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.44 1azr h SER 25 Cb 0.12 0.00 0.04 0.00 0.14 0.00 0.00 62.40 62.70 1azr h SER 25 CO 0.00 0.12 0.54 0.00 -1.14 0.00 0.00 176.83 176.35 1azr h LYS 27 N 3.40 0.04 -4.41 0.00 3.64 -1.89 -3.43 116.57 113.93 1azr h LYS 27 Ca -0.48 -0.07 -0.17 0.00 -1.27 0.00 0.00 60.65 58.66 1azr h LYS 27 Cb 1.22 0.03 -0.15 0.00 -0.41 0.00 0.00 32.23 32.92 1azr h LYS 27 CO 0.65 0.63 -0.67 -0.65 -2.27 0.00 0.00 179.45 177.14 1azr s GLN 28 N -2.60 0.77 0.00 1.90 -0.21 -1.26 -1.75 119.66 116.51 1azr s GLN 28 Ca -0.07 -1.32 0.01 0.00 0.02 0.00 0.00 55.36 54.00 1azr s GLN 28 Cb 0.08 0.10 -0.01 0.00 1.00 0.00 0.00 33.01 34.18 1azr s GLN 28 CO 0.82 -0.13 -0.03 0.12 -2.12 0.00 0.00 175.29 173.94 1azr s PHE 29 N -3.87 0.31 -0.03 0.91 5.36 -0.77 -4.84 117.98 115.04 1azr s PHE 29 Ca 0.13 -0.15 0.07 0.00 -0.96 0.00 0.00 56.93 56.03 1azr s PHE 29 Cb 0.07 -0.20 -0.02 0.00 -0.34 0.00 0.00 43.02 42.54 1azr s PHE 29 CO -0.05 -0.03 -0.23 0.99 -1.46 0.00 0.00 175.22 174.43 1azr s THR 30 N -0.35 2.27 -0.04 0.12 2.01 -0.51 -1.56 115.64 117.58 1azr s THR 30 Ca -0.02 -1.02 0.06 0.00 0.31 0.00 0.00 61.69 61.02 1azr s THR 30 Cb -0.03 -1.81 -0.01 0.00 0.01 0.00 0.00 72.50 70.66 1azr s THR 30 CO -0.00 0.58 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.59 1azr s VAL 31 N -0.59 1.89 -0.23 3.82 1.01 -0.45 -2.11 120.40 123.75 1azr s VAL 31 Ca 0.09 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 61.08 1azr s VAL 31 Cb -0.10 -1.59 0.06 0.00 0.00 0.00 0.00 36.38 34.75 1azr s VAL 31 CO -0.00 0.53 -0.01 0.20 0.00 0.00 0.00 175.10 175.81 1azr s ASN 32 N -0.25 3.59 -0.19 3.32 0.01 -0.83 -1.15 114.94 119.45 1azr s ASN 32 Ca 0.00 -1.12 -0.07 0.00 -0.71 0.00 0.00 52.86 50.96 1azr s ASN 32 Cb -0.12 -0.99 -0.04 0.00 0.41 0.00 0.00 41.25 40.51 1azr s ASN 32 CO 0.02 -0.27 0.07 -0.22 -1.51 0.00 0.00 177.10 175.18 1azr s LEU 33 N 1.54 3.80 0.27 0.60 2.96 -0.21 -1.56 118.68 126.09 1azr s LEU 33 Ca -0.03 0.06 0.08 0.00 -0.22 0.00 0.00 54.13 54.02 1azr s LEU 33 Cb -0.18 -1.97 -0.06 0.00 0.50 0.00 0.00 46.19 44.49 1azr s LEU 33 CO -0.08 0.16 -0.10 -0.94 -1.32 0.00 0.00 176.35 174.07 1azr s SER 34 N 0.46 2.95 -0.42 3.68 1.04 -0.71 -1.17 113.70 119.53 1azr s SER 34 Ca 0.03 -1.14 0.02 0.00 0.48 0.00 0.00 55.95 55.34 1azr s SER 34 Cb -0.13 -0.20 0.12 0.00 0.10 0.00 0.00 66.02 65.92 1azr s SER 34 CO 0.01 -0.25 0.19 -2.28 0.98 0.00 0.00 173.24 171.89 1azr s HIS 35 N -2.89 2.40 1.07 5.02 2.46 -1.13 -2.35 115.29 119.87 1azr s HIS 35 Ca 0.29 -2.53 -0.12 0.00 0.47 0.00 0.00 55.06 53.16 1azr s HIS 35 Cb 0.02 -2.18 0.21 0.00 -0.13 0.00 0.00 32.58 30.50 1azr s HIS 35 CO 0.12 -0.81 0.95 -0.35 -2.47 0.00 0.00 174.74 172.18 1azr n PRO 36 N 3.77 -1.55 0.00 2.88 -0.04 -1.25 -1.05 135.00 137.76 1azr n PRO 36 Ca 0.05 -0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.10 1azr n PRO 36 Cb 0.36 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 1azr n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1azr n GLY 37 N 0.85 -1.74 0.04 0.55 0.00 -1.26 -4.35 105.19 99.28 1azr n GLY 37 Ca 0.06 -1.96 0.03 0.00 0.00 0.00 0.00 46.02 44.15 1azr n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1azr n ASN 38 N 0.15 0.46 -4.74 1.61 4.13 -1.26 -4.42 115.26 111.19 1azr n ASN 38 Ca 0.00 -0.73 -0.40 0.00 1.68 0.00 0.00 54.58 55.13 1azr n ASN 38 Cb 0.00 0.84 -0.05 0.00 -1.54 0.00 0.00 39.78 39.03 1azr n ASN 38 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1azr s LEU 39 N -1.97 4.56 0.90 3.41 1.43 -1.26 -4.85 118.68 120.90 1azr s LEU 39 Ca 0.03 1.80 -0.12 0.00 -1.03 0.00 0.00 54.13 54.81 1azr s LEU 39 Cb 0.04 -3.53 0.13 0.00 0.03 0.00 0.00 46.19 42.86 1azr s LEU 39 CO 0.20 0.05 1.10 -2.16 0.23 0.00 0.00 176.35 175.77 1azr s PRO 40 N -0.52 1.23 0.15 1.29 0.04 -1.26 -1.74 135.00 134.19 1azr s PRO 40 Ca 0.43 0.57 -0.18 0.00 0.04 0.00 0.00 61.00 61.85 1azr s PRO 40 Cb -0.24 -1.83 0.04 0.00 0.04 0.00 0.00 34.50 32.51 1azr s PRO 40 CO 0.30 -2.19 1.69 -0.22 0.04 0.00 0.00 177.00 176.61 1azr h LYS 41 N -1.50 0.01 0.00 4.56 3.64 -1.88 0.86 116.57 122.26 1azr h LYS 41 Ca -0.50 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1azr h LYS 41 Cb 1.30 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1azr h LYS 41 CO 0.58 0.01 -0.00 -2.95 -2.27 0.00 0.00 179.45 174.82 1azr h ASN 42 N 0.01 0.00 0.10 4.20 -1.07 -1.94 0.13 115.58 117.01 1azr h ASN 42 Ca 0.15 0.00 -0.37 0.00 0.07 0.00 0.00 56.30 56.15 1azr h ASN 42 Cb 0.22 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.43 1azr h ASN 42 CO -0.31 0.00 -2.18 0.52 0.07 0.00 0.00 177.43 175.54 1azr n VAL 43 N -3.10 1.64 -2.74 6.14 0.31 -0.57 -4.77 118.33 115.24 1azr n VAL 43 Ca -0.01 -0.65 -0.03 0.00 -0.01 0.00 0.00 64.34 63.64 1azr n VAL 43 Cb 0.20 -1.47 0.08 0.00 -0.91 0.00 0.00 33.84 31.74 1azr n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1azr n MET 44 N -3.31 1.45 -1.91 5.55 0.00 0.19 -5.00 117.12 114.08 1azr n MET 44 Ca -0.36 -2.46 -0.38 0.00 0.00 0.00 0.00 57.70 54.49 1azr n MET 44 Cb 1.03 -0.65 0.03 0.00 0.00 0.00 0.00 33.22 33.63 1azr n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1azr s GLY 45 N -2.44 2.87 0.00 -5.12 0.00 0.44 -4.83 107.32 98.23 1azr s GLY 45 Ca 0.20 1.24 0.01 0.00 0.00 0.00 0.00 44.72 46.18 1azr s GLY 45 CO -0.06 1.76 -0.04 0.30 0.00 0.00 0.00 173.10 175.05 1azr s HIS 46 N -1.35 0.33 0.22 1.90 3.76 -0.89 -4.75 115.29 114.51 1azr s HIS 46 Ca 0.68 -0.12 0.01 0.00 -0.15 0.00 0.00 55.06 55.49 1azr s HIS 46 Cb -0.38 -0.21 -0.05 0.00 1.11 0.00 0.00 32.58 33.05 1azr s HIS 46 CO 0.45 -0.02 0.06 0.16 -0.85 0.00 0.00 174.74 174.54 1azr s ASP 47 N -0.28 1.08 -0.21 1.40 -4.77 -1.26 -0.99 116.67 111.65 1azr s ASP 47 Ca -0.01 -1.30 0.01 0.00 -3.30 0.00 0.00 52.55 47.96 1azr s ASP 47 Cb -0.02 0.17 0.04 0.00 -1.09 0.00 0.00 42.92 42.02 1azr s ASP 47 CO -0.00 -0.68 -0.12 0.86 0.70 0.00 0.00 175.17 175.93 1azr s TRP 48 N -3.76 2.66 0.06 2.11 -0.00 -1.26 -3.83 118.94 114.91 1azr s TRP 48 Ca 0.32 -1.77 0.09 0.00 -0.00 0.00 0.00 56.10 54.74 1azr s TRP 48 Cb 0.07 -1.75 -0.03 0.00 -0.00 0.00 0.00 33.47 31.76 1azr s TRP 48 CO 0.09 -0.78 -0.25 0.08 -0.00 0.00 0.00 176.95 176.09 1azr s VAL 49 N 1.31 2.28 -0.05 5.86 1.01 -0.03 -1.61 120.40 129.17 1azr s VAL 49 Ca -0.02 -1.41 0.05 0.00 0.00 0.00 0.00 61.98 60.60 1azr s VAL 49 Cb -0.17 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 1azr s VAL 49 CO -0.08 0.32 -0.20 -0.22 0.00 0.00 0.00 175.10 174.91 1azr s LEU 50 N -1.41 2.36 0.35 3.92 2.96 -0.52 -1.56 118.68 124.79 1azr s LEU 50 Ca 0.13 -0.37 -0.17 0.00 -0.22 0.00 0.00 54.13 53.50 1azr s LEU 50 Cb -0.10 -1.45 0.04 0.00 0.50 0.00 0.00 46.19 45.18 1azr s LEU 50 CO 0.03 0.29 0.75 -0.94 -1.32 0.00 0.00 176.35 175.17 1azr s SER 51 N -0.43 -0.04 0.71 3.68 1.04 -0.31 -1.80 113.70 116.55 1azr s SER 51 Ca 0.05 -1.01 -0.14 0.00 0.48 0.00 0.00 55.95 55.33 1azr s SER 51 Cb -0.12 0.81 0.03 0.00 0.10 0.00 0.00 66.02 66.84 1azr s SER 51 CO 0.01 -1.58 1.14 0.42 0.98 0.00 0.00 173.24 174.22 1azr s THR 52 N -2.81 2.88 0.51 2.02 -4.23 -1.26 -0.50 115.64 112.26 1azr s THR 52 Ca 0.15 0.39 0.17 0.00 -1.18 0.00 0.00 61.69 61.22 1azr s THR 52 Cb -0.05 -2.88 0.26 0.00 1.34 0.00 0.00 72.50 71.17 1azr s THR 52 CO 0.10 -0.27 2.13 0.00 -0.54 0.00 0.00 174.62 176.05 1azr h ALA 53 N -0.36 1.89 -0.41 3.99 0.00 -1.49 -1.63 119.26 121.25 1azr h ALA 53 Ca -0.46 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 1azr h ALA 53 Cb 1.26 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1azr h ALA 53 CO 0.51 0.04 0.01 0.00 0.00 0.00 0.00 179.25 179.81 1azr h ALA 54 N 1.97 1.25 -0.01 0.00 0.00 -1.91 -3.21 119.26 117.35 1azr h ALA 54 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1azr h ALA 54 Cb 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1azr h ALA 54 CO 0.00 0.50 -0.37 -0.25 0.00 0.00 0.00 179.25 179.13 1azr n ASP 55 N -4.25 1.50 0.06 0.00 8.00 -0.63 -4.48 116.55 116.76 1azr n ASP 55 Ca 0.02 -1.19 -0.11 0.00 0.71 0.00 0.00 54.79 54.22 1azr n ASP 55 Cb 0.27 0.31 -0.04 0.00 -0.02 0.00 0.00 41.12 41.63 1azr n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1azr h MET 56 N 1.78 -0.35 -0.82 -1.24 4.05 -1.53 -2.10 114.93 114.71 1azr h MET 56 Ca 0.00 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 1azr h MET 56 Cb 0.63 0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 31.46 1azr h MET 56 CO 0.00 -0.23 0.53 0.37 0.23 0.00 0.00 176.91 177.80 1azr h GLN 57 N -0.37 1.10 -0.34 0.39 5.75 -1.82 -1.15 115.11 118.67 1azr h GLN 57 Ca 0.06 -0.08 -0.06 0.00 -0.15 0.00 0.00 58.65 58.42 1azr h GLN 57 Cb 0.45 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 1azr h GLN 57 CO -0.21 0.74 -0.06 0.78 -2.65 0.00 0.00 178.83 177.43 1azr h GLY 58 N 1.12 0.59 0.88 2.39 0.00 -1.81 -1.25 103.07 105.00 1azr h GLY 58 Ca 0.30 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 1azr h GLY 58 CO -0.06 0.36 -0.01 -2.08 0.00 0.00 0.00 176.54 174.74 1azr h VAL 59 N 0.52 1.26 -0.07 4.60 2.07 -0.71 -2.60 116.25 121.32 1azr h VAL 59 Ca 0.10 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 1azr h VAL 59 Cb 0.43 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1azr h VAL 59 CO 0.02 0.31 0.02 0.58 0.02 0.00 0.00 177.57 178.52 1azr h VAL 60 N 0.30 1.20 0.28 2.57 2.07 -1.00 -0.15 116.25 121.53 1azr h VAL 60 Ca 0.08 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1azr h VAL 60 Cb 0.46 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 1azr h VAL 60 CO 0.02 0.17 -0.42 0.74 0.02 0.00 0.00 177.57 178.10 1azr h THR 61 N -0.10 0.16 0.00 2.57 2.02 -1.30 -0.79 112.91 115.47 1azr h THR 61 Ca 0.02 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 1azr h THR 61 Cb 0.26 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1azr h THR 61 CO 0.00 0.00 -0.05 0.44 0.37 0.00 0.00 175.52 176.28 1azr h ASP 62 N -0.76 0.00 0.05 4.18 3.32 -1.49 -2.28 116.42 119.43 1azr h ASP 62 Ca -0.01 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1azr h ASP 62 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.27 1azr h ASP 62 CO -0.14 0.05 -0.02 1.23 -1.72 0.00 0.00 179.24 178.63 1azr h GLY 63 N 0.17 -0.06 0.77 2.75 0.00 -0.32 -1.75 103.07 104.61 1azr h GLY 63 Ca -0.00 0.02 0.05 0.00 0.00 0.00 0.00 47.33 47.40 1azr h GLY 63 CO 0.01 -0.02 0.47 1.98 0.00 0.00 0.00 176.54 178.98 1azr h MET 64 N -0.26 0.86 0.00 4.80 1.85 -0.70 -0.33 114.93 121.15 1azr h MET 64 Ca -0.01 -0.05 -0.02 0.00 -0.61 0.00 0.00 59.70 59.01 1azr h MET 64 Cb 0.24 -0.19 -0.00 0.00 0.43 0.00 0.00 31.60 32.07 1azr h MET 64 CO 0.01 0.57 -0.09 0.00 -0.40 0.00 0.00 176.91 177.00 1azr h ALA 65 N 1.36 1.48 0.00 0.39 0.00 -1.30 -2.76 119.26 118.44 1azr h ALA 65 Ca 0.33 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 1azr h ALA 65 Cb 0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1azr h ALA 65 CO -0.15 0.11 -0.61 0.77 0.00 0.00 0.00 179.25 179.37 1azr h SER 66 N 0.00 0.00 -3.93 0.00 0.02 -0.13 -3.49 113.55 106.02 1azr h SER 66 Ca -0.00 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.01 1azr h SER 66 Cb 0.21 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 1azr h SER 66 CO 0.01 0.61 -0.23 0.61 -1.14 0.00 0.00 176.83 176.69 1azr n GLY 67 N 0.79 -2.64 0.00 -3.77 0.00 -1.04 -4.24 105.19 94.29 1azr n GLY 67 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1azr n GLY 67 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1azr n LEU 68 N -2.51 0.00 -0.25 0.99 7.94 -1.26 -0.58 117.00 121.33 1azr n LEU 68 Ca -0.02 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.84 1azr n LEU 68 Cb 0.13 0.00 0.12 0.00 0.53 0.00 0.00 43.42 44.20 1azr n LEU 68 CO 0.01 0.00 1.07 -2.24 -1.11 0.00 0.00 177.39 175.12 1azr h ASP 69 N 0.00 1.00 -0.66 1.96 2.03 -2.01 -2.47 116.42 116.26 1azr h ASP 69 Ca 0.00 -0.14 -0.28 0.00 -0.73 0.00 0.00 57.03 55.88 1azr h ASP 69 Cb 0.00 -0.26 -0.17 0.00 -0.83 0.00 0.00 39.33 38.08 1azr h ASP 69 CO 0.00 0.87 0.36 0.29 -1.03 0.00 0.00 179.24 179.73 1azr n LYS 70 N -4.30 2.49 -3.49 4.15 5.02 0.25 -4.86 118.16 117.42 1azr n LYS 70 Ca 0.07 -2.28 -0.26 0.00 -2.02 0.00 0.00 58.31 53.82 1azr n LYS 70 Cb 0.17 -1.94 0.01 0.00 -0.02 0.00 0.00 35.03 33.25 1azr n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1azr n ASP 71 N -0.40 -4.39 -4.07 4.39 9.92 -0.93 -2.14 116.55 118.93 1azr n ASP 71 Ca 0.38 -0.50 -0.31 0.00 -0.53 0.00 0.00 54.79 53.83 1azr n ASP 71 Cb 1.27 -3.57 -0.02 0.00 -0.64 0.00 0.00 41.12 38.16 1azr n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1azr n TYR 72 N -4.24 -1.80 -4.23 1.24 4.01 -1.02 -4.71 117.16 106.40 1azr n TYR 72 Ca -0.01 0.80 -0.17 0.00 -0.16 0.00 0.00 57.90 58.35 1azr n TYR 72 Cb 0.55 -3.42 -0.15 0.00 -0.31 0.00 0.00 39.34 36.01 1azr n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1azr s LEU 73 N -7.15 1.92 0.03 7.72 1.43 -0.91 -4.38 118.68 117.34 1azr s LEU 73 Ca 0.45 -0.12 -0.30 0.00 -1.03 0.00 0.00 54.13 53.12 1azr s LEU 73 Cb -0.24 -0.36 -0.06 0.00 0.03 0.00 0.00 46.19 45.56 1azr s LEU 73 CO 0.90 0.06 1.32 -0.75 0.23 0.00 0.00 176.35 178.12 1azr s LYS 74 N -0.02 4.33 0.24 1.70 2.20 -1.26 -4.82 119.74 122.11 1azr s LYS 74 Ca 0.01 1.90 -0.31 0.00 -0.36 0.00 0.00 55.97 57.20 1azr s LYS 74 Cb -0.04 -3.46 -0.13 0.00 -1.51 0.00 0.00 37.83 32.69 1azr s LYS 74 CO -0.00 -0.46 1.41 -2.30 -0.36 0.00 0.00 175.35 173.64 1azr n PRO 75 N 4.75 2.03 -1.39 4.03 -0.02 -1.26 -2.97 135.00 140.17 1azr n PRO 75 Ca 0.12 0.72 -0.13 0.00 -2.02 0.00 0.00 63.50 62.19 1azr n PRO 75 Cb 0.44 -2.38 -0.06 0.00 -0.02 0.00 0.00 33.50 31.48 1azr n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1azr n ASP 76 N 2.21 -5.42 -4.66 2.55 8.00 -1.26 -4.92 116.55 113.05 1azr n ASP 76 Ca 0.12 0.33 -0.42 0.00 0.71 0.00 0.00 54.79 55.53 1azr n ASP 76 Cb 0.31 -4.09 -0.03 0.00 -0.02 0.00 0.00 41.12 37.29 1azr n ASP 76 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1azr n ASP 77 N -1.02 4.15 0.25 -2.24 -0.08 -1.16 -4.87 116.55 111.58 1azr n ASP 77 Ca -0.13 0.87 0.11 0.00 -1.51 0.00 0.00 54.79 54.13 1azr n ASP 77 Cb 0.57 -1.53 0.66 0.00 2.34 0.00 0.00 41.12 43.16 1azr n ASP 77 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1azr h SER 78 N 10.82 0.00 1.19 1.67 4.64 -1.93 -2.52 113.55 127.41 1azr h SER 78 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1azr h SER 78 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1azr h SER 78 CO 0.94 0.15 0.00 0.54 -0.87 0.00 0.00 176.83 177.59 1azr n ARG 79 N -3.73 0.18 -3.08 4.77 1.74 -1.26 -4.68 116.66 110.61 1azr n ARG 79 Ca -0.02 0.22 -0.40 0.00 -0.77 0.00 0.00 57.85 56.88 1azr n ARG 79 Cb 0.26 -1.74 -0.06 0.00 -1.02 0.00 0.00 32.46 29.91 1azr n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1azr s VAL 80 N -3.12 5.00 -0.05 1.55 1.01 -0.95 -4.57 120.40 119.27 1azr s VAL 80 Ca 0.10 1.25 -0.18 0.00 0.00 0.00 0.00 61.98 63.15 1azr s VAL 80 Cb 0.13 -3.97 -0.31 0.00 0.00 0.00 0.00 36.38 32.22 1azr s VAL 80 CO 0.53 0.10 0.80 0.40 0.00 0.00 0.00 175.10 176.92 1azr h ILE 81 N 5.18 1.28 -2.17 2.22 2.04 -1.63 -3.49 117.51 120.94 1azr h ILE 81 Ca -0.31 -2.53 0.03 0.00 1.00 0.00 0.00 64.86 63.05 1azr h ILE 81 Cb 1.14 3.00 -0.18 0.00 -0.74 0.00 0.00 36.82 40.04 1azr h ILE 81 CO 0.78 0.74 0.36 0.00 0.00 0.00 0.00 178.15 180.04 1azr s ALA 82 N -2.49 -1.79 -0.06 1.87 0.00 -1.25 -5.02 121.76 113.03 1azr s ALA 82 Ca -0.15 1.13 -0.30 0.00 0.00 0.00 0.00 51.96 52.64 1azr s ALA 82 Cb 0.03 0.12 0.08 0.00 0.00 0.00 0.00 23.12 23.35 1azr s ALA 82 CO 0.84 -0.52 0.75 -3.38 0.00 0.00 0.00 175.76 173.44 1azr s HIS 83 N -2.21 -0.58 0.49 0.00 -3.43 -1.26 -1.43 115.29 106.87 1azr s HIS 83 Ca -0.02 0.93 -0.04 0.00 -0.80 0.00 0.00 55.06 55.13 1azr s HIS 83 Cb -0.01 0.43 0.11 0.00 -1.43 0.00 0.00 32.58 31.68 1azr s HIS 83 CO -0.02 -0.57 0.67 0.25 -2.00 0.00 0.00 174.74 173.08 1azr n THR 84 N 0.73 0.00 -2.19 -5.38 -2.24 -0.63 -4.86 114.28 99.70 1azr n THR 84 Ca -0.17 -0.81 -0.15 0.00 -2.27 0.00 0.00 64.05 60.66 1azr n THR 84 Cb 0.58 -1.33 0.08 0.00 -2.10 0.00 0.00 70.33 67.57 1azr n THR 84 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1azr n LYS 85 N -2.33 -0.08 -3.60 -0.78 5.02 -1.26 -4.73 118.16 110.39 1azr n LYS 85 Ca 0.10 -1.48 -0.38 0.00 -2.02 0.00 0.00 58.31 54.53 1azr n LYS 85 Cb 0.35 -0.51 -0.06 0.00 -0.02 0.00 0.00 35.03 34.79 1azr n LYS 85 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1azr s LEU 86 N 0.00 4.44 0.20 -0.35 2.96 -1.26 -4.41 118.68 120.26 1azr s LEU 86 Ca 0.40 0.81 0.04 0.00 -0.22 0.00 0.00 54.13 55.17 1azr s LEU 86 Cb -0.02 -2.44 -0.05 0.00 0.50 0.00 0.00 46.19 44.18 1azr s LEU 86 CO 0.27 0.33 -0.05 0.27 -1.32 0.00 0.00 176.35 175.86 1azr s ILE 87 N -0.95 1.13 0.45 6.68 -4.36 -0.16 -4.89 121.20 119.10 1azr s ILE 87 Ca 0.21 -2.05 0.03 0.00 -0.26 0.00 0.00 60.65 58.58 1azr s ILE 87 Cb -0.15 -2.15 0.03 0.00 1.25 0.00 0.00 42.46 41.43 1azr s ILE 87 CO 0.10 -0.49 0.25 0.61 0.24 0.00 0.00 174.94 175.66 1azr n GLY 88 N -0.34 3.02 3.77 6.27 0.00 -1.26 -2.10 105.19 114.56 1azr n GLY 88 Ca -0.07 -2.29 -0.41 0.00 0.00 0.00 0.00 46.02 43.25 1azr n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1azr s SER 89 N -3.58 6.29 0.00 1.61 1.04 -0.71 -2.05 113.70 116.30 1azr s SER 89 Ca 0.19 2.97 0.00 0.00 0.48 0.00 0.00 55.95 59.59 1azr s SER 89 Cb -0.02 -2.66 0.00 0.00 0.10 0.00 0.00 66.02 63.44 1azr s SER 89 CO 0.12 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 174.05 1azr n GLY 90 N 0.53 2.46 3.07 7.32 0.00 -0.22 -4.96 105.19 113.40 1azr n GLY 90 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 1azr n GLY 90 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1azr n GLU 91 N -2.00 -0.33 -3.59 1.61 1.02 -0.87 -4.92 120.64 111.55 1azr n GLU 91 Ca 0.00 -1.97 -0.13 0.00 -0.02 0.00 0.00 57.16 55.04 1azr n GLU 91 Cb 0.00 -0.72 -0.06 0.00 -0.02 0.00 0.00 31.44 30.64 1azr n GLU 91 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1azr s LYS 92 N -4.81 0.73 0.10 3.49 2.47 -1.26 -2.82 119.74 117.64 1azr s LYS 92 Ca 0.55 0.50 -0.12 0.00 -1.56 0.00 0.00 55.97 55.34 1azr s LYS 92 Cb -0.02 0.35 0.02 0.00 -1.46 0.00 0.00 37.83 36.71 1azr s LYS 92 CO 0.37 -0.16 0.29 0.34 0.16 0.00 0.00 175.35 176.35 1azr s ASP 93 N -0.39 -0.05 0.06 1.43 2.15 -0.32 -5.00 116.67 114.55 1azr s ASP 93 Ca -0.02 -0.48 0.03 0.00 0.43 0.00 0.00 52.55 52.51 1azr s ASP 93 Cb -0.03 0.40 -0.03 0.00 -0.30 0.00 0.00 42.92 42.96 1azr s ASP 93 CO 0.01 -0.77 -0.09 -0.44 -0.17 0.00 0.00 175.17 173.71 1azr s SER 94 N -2.78 1.07 -0.02 -0.34 0.01 -1.26 -1.04 113.70 109.34 1azr s SER 94 Ca 0.03 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 56.65 1azr s SER 94 Cb 0.03 0.03 0.02 0.00 0.21 0.00 0.00 66.02 66.31 1azr s SER 94 CO -0.11 -0.22 0.00 0.54 0.41 0.00 0.00 173.24 173.86 1azr s VAL 95 N -1.76 0.08 -0.06 3.43 0.11 -0.30 -4.91 120.40 117.00 1azr s VAL 95 Ca -0.05 0.07 0.05 0.00 -2.93 0.00 0.00 61.98 59.12 1azr s VAL 95 Cb -0.07 -0.15 -0.02 0.00 -1.53 0.00 0.00 36.38 34.61 1azr s VAL 95 CO -0.00 0.09 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.76 1azr s THR 96 N 0.64 2.46 0.05 5.04 2.01 -1.26 -1.34 115.64 123.25 1azr s THR 96 Ca -0.06 -0.93 -0.02 0.00 0.31 0.00 0.00 61.69 60.99 1azr s THR 96 Cb -0.09 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 1azr s THR 96 CO -0.01 0.57 -0.01 0.72 -0.69 0.00 0.00 174.62 175.20 1azr s PHE 97 N -0.36 0.48 0.13 4.92 -0.71 -0.60 -4.95 117.98 116.88 1azr s PHE 97 Ca 0.03 -1.00 -0.30 0.00 -1.04 0.00 0.00 56.93 54.61 1azr s PHE 97 Cb -0.12 -0.35 -0.07 0.00 -1.21 0.00 0.00 43.02 41.26 1azr s PHE 97 CO 0.02 -0.38 1.20 -0.51 -1.34 0.00 0.00 175.22 174.21 1azr s ASP 98 N -2.83 7.08 0.07 1.98 1.01 -1.26 -1.85 116.67 120.88 1azr s ASP 98 Ca 0.06 2.13 0.18 0.00 0.71 0.00 0.00 52.55 55.63 1azr s ASP 98 Cb 0.07 -2.59 0.76 0.00 1.01 0.00 0.00 42.92 42.16 1azr s ASP 98 CO -0.10 -0.42 1.57 0.52 0.21 0.00 0.00 175.17 176.95 1azr n VAL 99 N 3.20 0.88 1.52 -1.27 0.31 -0.72 -2.52 118.33 119.74 1azr n VAL 99 Ca 0.07 0.22 0.14 0.00 -0.01 0.00 0.00 64.34 64.76 1azr n VAL 99 Cb 0.45 -1.00 0.78 0.00 -0.91 0.00 0.00 33.84 33.16 1azr n VAL 99 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1azr n SER 100 N -1.71 0.00 -0.22 4.52 3.41 -1.26 -2.47 113.62 115.89 1azr n SER 100 Ca 0.03 -0.37 0.14 0.00 -0.26 0.00 0.00 58.87 58.41 1azr n SER 100 Cb 0.20 -0.20 0.57 0.00 -0.26 0.00 0.00 64.21 64.53 1azr n SER 100 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1azr n LYS 101 N -1.20 0.99 -4.15 4.33 5.02 -1.05 -4.86 118.16 117.24 1azr n LYS 101 Ca 0.16 -0.44 -0.22 0.00 -2.02 0.00 0.00 58.31 55.79 1azr n LYS 101 Cb 0.19 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.66 1azr n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1azr s LEU 102 N -2.31 3.68 0.19 -0.35 1.43 -1.03 -5.13 118.68 115.17 1azr s LEU 102 Ca 0.32 -0.33 0.11 0.00 -1.03 0.00 0.00 54.13 53.20 1azr s LEU 102 Cb 0.20 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 1azr s LEU 102 CO 0.44 -0.03 -0.20 -0.54 0.23 0.00 0.00 176.35 176.25 1azr s LYS 103 N -3.78 1.66 0.26 1.70 1.02 -1.26 -5.06 119.74 114.27 1azr s LYS 103 Ca 0.32 -1.46 -0.17 0.00 0.02 0.00 0.00 55.97 54.69 1azr s LYS 103 Cb -0.08 -1.93 -0.08 0.00 -0.52 0.00 0.00 37.83 35.22 1azr s LYS 103 CO 0.24 0.41 0.71 -1.83 -0.92 0.00 0.00 175.35 173.96 1azr s GLU 104 N -2.70 4.12 0.00 1.68 -1.05 -1.26 -3.76 118.70 115.72 1azr s GLU 104 Ca 0.22 0.74 0.00 0.00 -0.15 0.00 0.00 54.97 55.78 1azr s GLU 104 Cb -0.08 -2.69 0.00 0.00 -0.44 0.00 0.00 34.13 30.92 1azr s GLU 104 CO 0.11 0.30 0.00 0.41 0.95 0.00 0.00 175.26 177.03 1azr n GLY 105 N 0.26 0.57 3.12 -3.83 0.00 -1.26 -5.07 105.19 98.98 1azr n GLY 105 Ca -0.00 -0.81 -0.11 0.00 0.00 0.00 0.00 46.02 45.09 1azr n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1azr s GLU 106 N -4.25 0.51 -0.13 1.61 2.12 -1.25 -5.16 118.70 112.16 1azr s GLU 106 Ca 0.00 -0.38 -0.04 0.00 0.36 0.00 0.00 54.97 54.91 1azr s GLU 106 Cb 0.00 0.21 -0.03 0.00 0.26 0.00 0.00 34.13 34.57 1azr s GLU 106 CO 0.00 -0.12 -0.00 -1.14 -0.54 0.00 0.00 175.26 173.46 1azr s GLN 107 N -1.39 3.41 0.19 4.30 -0.44 -1.26 -4.89 119.66 119.58 1azr s GLN 107 Ca -0.15 -0.43 0.11 0.00 -2.50 0.00 0.00 55.36 52.39 1azr s GLN 107 Cb -0.07 -2.91 -0.04 0.00 -1.64 0.00 0.00 33.01 28.34 1azr s GLN 107 CO 0.02 0.47 -0.23 0.71 0.50 0.00 0.00 175.29 176.75 1azr s TYR 108 N -0.22 2.24 -0.00 1.67 2.02 -1.16 -1.32 117.35 120.57 1azr s TYR 108 Ca 0.05 -0.37 0.03 0.00 -0.37 0.00 0.00 57.07 56.42 1azr s TYR 108 Cb -0.12 -1.11 -0.01 0.00 -0.40 0.00 0.00 41.96 40.32 1azr s TYR 108 CO 0.02 0.49 -0.10 -1.64 -1.57 0.00 0.00 175.55 172.74 1azr s MET 109 N -2.70 0.83 0.13 -0.62 -1.94 0.35 -1.60 119.30 113.73 1azr s MET 109 Ca 0.20 -0.41 0.10 0.00 -1.71 0.00 0.00 55.69 53.88 1azr s MET 109 Cb -0.08 -0.80 -0.04 0.00 2.01 0.00 0.00 34.83 35.93 1azr s MET 109 CO 0.10 0.22 -0.24 -0.59 -0.01 0.00 0.00 175.02 174.49 1azr s PHE 110 N -0.33 2.38 0.19 -0.03 -0.12 -0.76 -1.16 117.98 118.14 1azr s PHE 110 Ca 0.03 -0.34 -0.24 0.00 -0.05 0.00 0.00 56.93 56.33 1azr s PHE 110 Cb -0.04 -1.28 0.05 0.00 -0.63 0.00 0.00 43.02 41.12 1azr s PHE 110 CO -0.00 0.35 0.87 -0.59 -0.05 0.00 0.00 175.22 175.80 1azr s PHE 111 N -1.09 -0.17 -0.10 3.49 -0.12 -0.60 -1.51 117.98 117.88 1azr s PHE 111 Ca 0.15 -0.17 -0.06 0.00 -0.05 0.00 0.00 56.93 56.80 1azr s PHE 111 Cb -0.10 0.65 -0.04 0.00 -0.63 0.00 0.00 43.02 42.90 1azr s PHE 111 CO 0.07 -0.95 0.12 0.00 -0.05 0.00 0.00 175.22 174.42 1azr n THR 113 N 1.89 0.00 -1.65 0.00 -2.24 -1.26 -3.73 114.28 107.29 1azr n THR 113 Ca -0.19 -0.32 -0.46 0.00 -2.27 0.00 0.00 64.05 60.81 1azr n THR 113 Cb 0.55 1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 69.81 1azr n THR 113 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1azr n PHE 114 N 0.41 1.97 -1.69 4.78 -0.00 -1.26 -4.55 117.46 117.12 1azr n PHE 114 Ca 0.13 0.47 -0.53 0.00 -0.00 0.00 0.00 57.45 57.53 1azr n PHE 114 Cb 0.48 -2.43 -0.06 0.00 -0.00 0.00 0.00 39.48 37.47 1azr n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1azr n PRO 115 N 2.17 1.67 0.00 -7.13 -0.02 -1.26 -0.92 135.00 129.51 1azr n PRO 115 Ca 0.13 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1azr n PRO 115 Cb 0.29 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 1azr n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1azr n GLY 116 N 4.19 2.80 0.16 -1.23 0.00 -1.26 -4.89 105.19 104.96 1azr n GLY 116 Ca 0.24 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.30 1azr n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1azr h HIS 117 N 0.00 0.00 0.00 1.61 3.86 -1.34 -3.31 115.15 115.97 1azr h HIS 117 Ca 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1azr h HIS 117 Cb 0.00 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 1azr h HIS 117 CO 0.00 0.45 -0.12 0.66 0.86 0.00 0.00 177.93 179.79 1azr h SER 118 N 0.00 0.00 -0.84 2.45 4.64 -1.71 -0.59 113.55 117.51 1azr h SER 118 Ca -0.00 0.00 0.18 0.00 -0.47 0.00 0.00 61.79 61.49 1azr h SER 118 Cb 1.22 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.20 1azr h SER 118 CO 0.06 0.12 0.36 0.00 -0.87 0.00 0.00 176.83 176.49 1azr h ALA 119 N 1.88 1.26 0.00 5.18 0.00 -1.92 -3.27 119.26 122.39 1azr h ALA 119 Ca -0.00 0.13 -0.25 0.00 0.00 0.00 0.00 54.91 54.80 1azr h ALA 119 Cb 0.29 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1azr h ALA 119 CO 0.01 -0.25 -1.93 1.28 0.00 0.00 0.00 179.25 178.36 1azr n LEU 120 N -5.01 0.64 -4.41 0.00 4.77 -1.01 -4.82 117.00 107.16 1azr n LEU 120 Ca 0.18 -0.02 -0.44 0.00 -0.03 0.00 0.00 56.01 55.70 1azr n LEU 120 Cb 0.52 0.13 -0.00 0.00 -2.33 0.00 0.00 43.42 41.74 1azr n LEU 120 CO 0.16 0.43 1.13 -0.04 -1.33 0.00 0.00 177.39 177.74 1azr s MET 121 N -2.33 4.12 0.18 3.23 -1.94 -0.26 -4.83 119.30 117.47 1azr s MET 121 Ca -0.10 -2.81 -0.14 0.00 -1.71 0.00 0.00 55.69 50.93 1azr s MET 121 Cb 0.04 -4.85 0.01 0.00 2.01 0.00 0.00 34.83 32.05 1azr s MET 121 CO 0.52 -1.55 0.42 -1.59 -0.01 0.00 0.00 175.02 172.80 1azr s LYS 122 N 0.46 1.26 0.06 2.03 0.00 -1.26 -2.73 119.74 119.57 1azr s LYS 122 Ca 0.37 -0.97 -0.07 0.00 0.00 0.00 0.00 55.97 55.30 1azr s LYS 122 Cb -0.06 0.46 0.02 0.00 0.00 0.00 0.00 37.83 38.26 1azr s LYS 122 CO -0.04 -0.51 0.34 0.41 0.00 0.00 0.00 175.35 175.56 1azr n GLY 123 N -0.28 1.08 3.59 0.59 0.00 -0.57 -4.86 105.19 104.74 1azr n GLY 123 Ca -0.10 -1.00 -0.28 0.00 0.00 0.00 0.00 46.02 44.65 1azr n GLY 123 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1azr s THR 124 N -2.41 3.37 -0.02 2.61 -4.23 -0.88 -1.84 115.64 112.24 1azr s THR 124 Ca 0.08 -1.43 0.03 0.00 -1.18 0.00 0.00 61.69 59.19 1azr s THR 124 Cb -0.01 -2.63 -0.01 0.00 1.34 0.00 0.00 72.50 71.20 1azr s THR 124 CO 0.02 -0.00 -0.12 -0.22 -0.54 0.00 0.00 174.62 173.76 1azr s LEU 125 N -2.55 1.95 0.02 4.79 0.20 -0.63 -1.26 118.68 121.19 1azr s LEU 125 Ca 0.24 -0.22 -0.01 0.00 0.69 0.00 0.00 54.13 54.83 1azr s LEU 125 Cb -0.10 -0.62 -0.02 0.00 -0.43 0.00 0.00 46.19 45.02 1azr s LEU 125 CO 0.15 0.12 -0.01 0.28 -0.29 0.00 0.00 176.35 176.61 1azr s THR 126 N -0.13 0.10 0.85 3.68 -1.32 -0.69 -3.00 115.64 115.13 1azr s THR 126 Ca 0.02 -0.79 -0.11 0.00 -1.21 0.00 0.00 61.69 59.59 1azr s THR 126 Cb -0.06 -0.26 0.10 0.00 -1.51 0.00 0.00 72.50 70.77 1azr s THR 126 CO -0.00 -0.44 1.09 -0.76 -2.21 0.00 0.00 174.62 172.31 1azr s LEU 127 N -1.31 2.58 0.00 9.08 1.43 -1.26 0.54 118.68 129.75 1azr s LEU 127 Ca -0.14 1.66 0.00 0.00 -1.03 0.00 0.00 54.13 54.62 1azr s LEU 127 Cb -0.09 -4.18 0.00 0.00 0.03 0.00 0.00 46.19 41.95 1azr s LEU 127 CO -0.01 -2.44 0.00 1.17 0.23 0.00 0.00 176.35 175.30