#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1azr n GLN 2 N 0.00 0.00 -1.32 0.00 7.27 -1.26 -3.52 117.38 118.55 1azr n GLN 2 Ca 0.00 0.00 -0.27 0.00 0.07 0.00 0.00 57.00 56.80 1azr n GLN 2 Cb 0.00 0.00 0.12 0.00 2.41 0.00 0.00 30.24 32.77 1azr n GLN 2 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1azr s SER 4 N -1.95 -0.41 -0.01 0.00 1.04 -1.23 -2.01 113.70 109.13 1azr s SER 4 Ca 0.59 0.01 -0.07 0.00 0.48 0.00 0.00 55.95 56.96 1azr s SER 4 Cb 0.48 0.51 0.00 0.00 0.10 0.00 0.00 66.02 67.11 1azr s SER 4 CO 0.03 -0.80 0.14 0.54 0.98 0.00 0.00 173.24 174.13 1azr s VAL 5 N -3.05 0.06 -0.12 5.02 0.11 -0.57 -3.87 120.40 117.98 1azr s VAL 5 Ca -0.02 -0.53 -0.02 0.00 -2.93 0.00 0.00 61.98 58.48 1azr s VAL 5 Cb -0.00 -0.38 -0.03 0.00 -1.53 0.00 0.00 36.38 34.44 1azr s VAL 5 CO -0.07 -0.29 -0.07 -1.81 -3.33 0.00 0.00 175.10 169.54 1azr s ASP 6 N -1.04 4.60 0.02 3.54 1.01 -1.26 -1.51 116.67 122.03 1azr s ASP 6 Ca -0.11 -0.13 -0.00 0.00 0.71 0.00 0.00 52.55 53.01 1azr s ASP 6 Cb -0.06 -1.56 -0.02 0.00 1.01 0.00 0.00 42.92 42.29 1azr s ASP 6 CO 0.01 0.23 -0.02 -0.51 0.21 0.00 0.00 175.17 175.09 1azr s ILE 7 N -0.01 0.11 0.01 0.77 2.07 -0.20 -4.96 121.20 118.98 1azr s ILE 7 Ca -0.00 -0.91 0.02 0.00 -1.41 0.00 0.00 60.65 58.34 1azr s ILE 7 Cb -0.13 -0.29 -0.01 0.00 0.13 0.00 0.00 42.46 42.16 1azr s ILE 7 CO 0.03 -0.50 -0.05 0.00 -1.91 0.00 0.00 174.94 172.51 1azr s GLN 8 N -1.50 0.40 -0.12 3.50 -2.07 -1.26 -2.29 119.66 116.32 1azr s GLN 8 Ca -0.16 -0.32 0.01 0.00 -1.82 0.00 0.00 55.36 53.07 1azr s GLN 8 Cb -0.10 -0.32 -0.01 0.00 -1.09 0.00 0.00 33.01 31.50 1azr s GLN 8 CO -0.01 0.08 -0.16 0.20 -1.32 0.00 0.00 175.29 174.08 1azr s GLY 9 N -0.52 1.48 0.19 2.60 0.00 -1.17 -1.36 107.32 108.54 1azr s GLY 9 Ca -0.02 -0.92 0.02 0.00 0.00 0.00 0.00 44.72 43.80 1azr s GLY 9 CO -0.00 -0.26 0.14 1.16 0.00 0.00 0.00 173.10 174.13 1azr n ASN 10 N 3.46 1.64 0.00 1.64 0.23 -0.18 -3.87 115.26 118.17 1azr n ASN 10 Ca -0.18 -1.66 0.08 0.00 -0.53 0.00 0.00 54.58 52.29 1azr n ASN 10 Cb 0.53 -0.01 0.41 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 -1.92 0.00 -1.74 0.53 8.00 -1.25 -2.57 116.55 117.61 1azr n ASP 11 Ca -0.01 -0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.31 1azr n ASP 11 Cb 0.22 -0.26 0.12 0.00 -0.02 0.00 0.00 41.12 41.18 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 -1.26 2.53 -3.95 -1.24 6.02 -1.26 -4.94 117.38 113.29 1azr n GLN 12 Ca 0.08 -3.47 -0.27 0.00 -0.01 0.00 0.00 57.00 53.33 1azr n GLN 12 Cb 0.12 -2.07 -0.01 0.00 1.02 0.00 0.00 30.24 29.30 1azr n GLN 12 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 1azr n MET 13 N -0.97 -3.78 -3.99 -1.09 0.00 -1.06 -4.97 117.12 101.25 1azr n MET 13 Ca 0.45 0.46 -0.10 0.00 0.00 0.00 0.00 57.70 58.51 1azr n MET 13 Cb 0.98 -4.82 -0.11 0.00 0.00 0.00 0.00 33.22 29.27 1azr n MET 13 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1azr s GLN 14 N -6.52 0.35 0.01 2.12 -0.21 -1.26 -4.32 119.66 109.83 1azr s GLN 14 Ca 0.18 -0.62 -0.02 0.00 0.02 0.00 0.00 55.36 54.91 1azr s GLN 14 Cb -0.09 0.03 -0.04 0.00 1.00 0.00 0.00 33.01 33.91 1azr s GLN 14 CO 0.88 -0.03 0.20 -0.06 -2.12 0.00 0.00 175.29 174.16 1azr s PHE 15 N -1.41 3.54 -1.29 0.91 0.08 -1.26 -1.02 117.98 117.54 1azr s PHE 15 Ca -0.15 0.36 0.15 0.00 0.12 0.00 0.00 56.93 57.41 1azr s PHE 15 Cb -0.10 -1.83 0.70 0.00 -0.57 0.00 0.00 43.02 41.22 1azr s PHE 15 CO -0.01 0.63 1.42 0.27 -0.10 0.00 0.00 175.22 177.43 1azr n ASN 16 N 0.79 0.00 -3.81 1.36 6.94 -0.46 -4.75 115.26 115.33 1azr n ASN 16 Ca -0.09 0.22 -0.12 0.00 -0.02 0.00 0.00 54.58 54.56 1azr n ASN 16 Cb 0.52 -0.36 -0.10 0.00 -2.36 0.00 0.00 39.78 37.49 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 -2.71 0.06 -0.14 5.53 -1.32 -1.26 -5.02 115.64 110.77 1azr s THR 17 Ca 0.12 -0.47 0.15 0.00 -1.21 0.00 0.00 61.69 60.28 1azr s THR 17 Cb 0.10 -0.50 0.38 0.00 -1.51 0.00 0.00 72.50 70.97 1azr s THR 17 CO 0.24 -0.26 1.19 0.59 -2.21 0.00 0.00 174.62 174.17 1azr n ASN 18 N 1.65 1.55 -3.57 8.08 4.13 -1.26 -4.79 115.26 121.05 1azr n ASN 18 Ca -0.20 -3.26 -0.00 0.00 1.68 0.00 0.00 54.58 52.79 1azr n ASN 18 Cb 0.56 -0.45 -0.06 0.00 -1.54 0.00 0.00 39.78 38.30 1azr n ASN 18 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1azr s ALA 19 N -2.28 -2.50 0.01 5.41 0.00 -1.26 -2.01 121.76 119.13 1azr s ALA 19 Ca 0.34 2.11 0.03 0.00 0.00 0.00 0.00 51.96 54.44 1azr s ALA 19 Cb 0.34 -1.87 -0.01 0.00 0.00 0.00 0.00 23.12 21.58 1azr s ALA 19 CO -0.07 -0.51 -0.09 0.42 0.00 0.00 0.00 175.76 175.50 1azr s ILE 20 N 1.58 0.69 -0.10 0.00 1.01 0.28 -4.92 121.20 119.75 1azr s ILE 20 Ca -0.07 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.09 1azr s ILE 20 Cb -0.04 -0.61 -0.01 0.00 0.01 0.00 0.00 42.46 41.81 1azr s ILE 20 CO -0.15 0.10 -0.18 -0.89 0.00 0.00 0.00 174.94 173.82 1azr s THR 21 N -0.41 2.68 -0.27 2.92 2.01 -1.26 -1.17 115.64 120.14 1azr s THR 21 Ca 0.01 -0.82 -0.02 0.00 0.31 0.00 0.00 61.69 61.17 1azr s THR 21 Cb -0.05 -2.07 0.03 0.00 0.01 0.00 0.00 72.50 70.43 1azr s THR 21 CO -0.00 0.55 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.77 1azr s VAL 22 N 0.05 3.05 0.31 3.82 1.01 -0.36 -4.94 120.40 123.33 1azr s VAL 22 Ca -0.07 -1.07 -0.29 0.00 0.00 0.00 0.00 61.98 60.55 1azr s VAL 22 Cb -0.15 -2.61 -0.10 0.00 0.00 0.00 0.00 36.38 33.52 1azr s VAL 22 CO 0.05 0.11 1.41 -0.62 0.00 0.00 0.00 175.10 176.05 1azr s ASP 23 N 1.33 6.61 0.65 3.32 2.15 -1.26 -1.24 116.67 128.23 1azr s ASP 23 Ca -0.01 2.77 0.31 0.00 0.43 0.00 0.00 52.55 56.05 1azr s ASP 23 Cb -0.17 -2.64 1.68 0.00 -0.30 0.00 0.00 42.92 41.48 1azr s ASP 23 CO -0.03 -0.69 1.97 0.11 -0.17 0.00 0.00 175.17 176.36 1azr h LYS 24 N 4.05 0.00 -0.00 4.34 1.57 -1.94 -2.46 116.57 122.13 1azr h LYS 24 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1azr h LYS 24 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1azr h LYS 24 CO 0.71 0.00 -0.04 -1.13 -0.57 0.00 0.00 179.45 178.42 1azr n SER 25 N -3.11 0.04 -4.76 0.86 3.41 -1.26 -4.82 113.62 103.98 1azr n SER 25 Ca -0.00 0.41 -0.40 0.00 -0.26 0.00 0.00 58.87 58.62 1azr n SER 25 Cb 0.39 -0.43 -0.05 0.00 -0.26 0.00 0.00 64.21 63.86 1azr n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1azr n LYS 27 N 1.29 0.63 -3.97 0.00 5.02 -1.26 -4.71 118.16 115.15 1azr n LYS 27 Ca -0.01 0.02 -0.08 0.00 -2.02 0.00 0.00 58.31 56.22 1azr n LYS 27 Cb 0.45 -1.72 -0.09 0.00 -0.02 0.00 0.00 35.03 33.65 1azr n LYS 27 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1azr s GLN 28 N -3.35 0.62 0.01 1.97 -0.21 -1.26 -2.49 119.66 114.95 1azr s GLN 28 Ca -0.03 -0.94 0.02 0.00 0.02 0.00 0.00 55.36 54.42 1azr s GLN 28 Cb 0.11 0.24 -0.01 0.00 1.00 0.00 0.00 33.01 34.34 1azr s GLN 28 CO 0.83 -0.15 -0.06 0.12 -2.12 0.00 0.00 175.29 173.92 1azr s PHE 29 N -3.20 0.50 -0.06 0.91 5.36 -0.31 -4.82 117.98 116.36 1azr s PHE 29 Ca 0.00 -0.20 0.05 0.00 -0.96 0.00 0.00 56.93 55.83 1azr s PHE 29 Cb 0.02 -0.31 -0.01 0.00 -0.34 0.00 0.00 43.02 42.38 1azr s PHE 29 CO -0.07 -0.03 -0.22 0.99 -1.46 0.00 0.00 175.22 174.42 1azr s THR 30 N -0.46 1.86 -0.12 0.12 2.01 -0.85 -1.26 115.64 116.94 1azr s THR 30 Ca -0.01 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.05 1azr s THR 30 Cb -0.04 -1.58 -0.01 0.00 0.01 0.00 0.00 72.50 70.88 1azr s THR 30 CO -0.00 0.52 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.59 1azr s VAL 31 N -0.05 2.70 -0.21 3.82 1.01 -0.46 -1.51 120.40 125.70 1azr s VAL 31 Ca -0.05 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 1azr s VAL 31 Cb -0.13 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.15 1azr s VAL 31 CO 0.04 0.54 -0.09 0.20 0.00 0.00 0.00 175.10 175.78 1azr s ASN 32 N 0.35 3.93 0.03 3.32 0.01 -0.57 -1.19 114.94 120.82 1azr s ASN 32 Ca -0.14 -0.49 0.06 0.00 -0.71 0.00 0.00 52.86 51.58 1azr s ASN 32 Cb -0.17 -1.65 -0.03 0.00 0.41 0.00 0.00 41.25 39.81 1azr s ASN 32 CO 0.07 -0.02 -0.17 -0.22 -1.51 0.00 0.00 177.10 175.25 1azr s LEU 33 N 1.41 2.66 0.05 0.60 2.96 -0.22 -1.04 118.68 125.11 1azr s LEU 33 Ca 0.05 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.59 1azr s LEU 33 Cb -0.14 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 1azr s LEU 33 CO -0.06 0.26 -0.05 -0.94 -1.32 0.00 0.00 176.35 174.24 1azr s SER 34 N -1.38 0.69 -0.34 3.68 1.04 -0.97 -1.48 113.70 114.94 1azr s SER 34 Ca 0.15 -0.75 0.02 0.00 0.48 0.00 0.00 55.95 55.84 1azr s SER 34 Cb -0.11 0.10 0.10 0.00 0.10 0.00 0.00 66.02 66.22 1azr s SER 34 CO 0.05 -0.38 0.08 -2.28 0.98 0.00 0.00 173.24 171.68 1azr s HIS 35 N -2.54 2.96 0.61 5.02 2.46 -0.85 -3.06 115.29 119.89 1azr s HIS 35 Ca -0.02 -2.53 -0.17 0.00 0.47 0.00 0.00 55.06 52.81 1azr s HIS 35 Cb -0.02 -2.46 -0.02 0.00 -0.13 0.00 0.00 32.58 29.95 1azr s HIS 35 CO -0.04 -0.92 1.12 -1.25 -2.47 0.00 0.00 174.74 171.19 1azr s PRO 36 N 1.12 3.02 0.00 2.88 0.04 -1.25 -1.58 135.00 139.24 1azr s PRO 36 Ca 0.11 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1azr s PRO 36 Cb -0.19 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1azr s PRO 36 CO -0.14 -1.09 0.00 0.41 0.04 0.00 0.00 177.00 176.22 1azr n GLY 37 N -0.22 0.53 0.00 0.56 0.00 -1.26 -3.96 105.19 100.85 1azr n GLY 37 Ca 0.11 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.93 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 0.32 3.34 -4.75 1.61 3.02 -1.26 -4.57 115.26 112.97 1azr n ASN 38 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.14 1azr n ASN 38 Cb 0.00 0.64 -0.04 0.00 -0.61 0.00 0.00 39.78 39.77 1azr n ASN 38 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1azr s LEU 39 N -2.08 4.53 0.89 3.41 1.43 -1.26 -4.84 118.68 120.76 1azr s LEU 39 Ca 0.00 2.12 -0.11 0.00 -1.03 0.00 0.00 54.13 55.11 1azr s LEU 39 Cb 0.00 -3.61 0.13 0.00 0.03 0.00 0.00 46.19 42.73 1azr s LEU 39 CO 0.00 -0.14 1.09 -2.16 0.23 0.00 0.00 176.35 175.37 1azr s PRO 40 N -0.83 1.30 0.35 1.29 0.04 -1.26 -2.58 135.00 133.31 1azr s PRO 40 Ca 0.46 0.82 0.03 0.00 0.04 0.00 0.00 61.00 62.36 1azr s PRO 40 Cb -0.30 -1.81 0.65 0.00 0.04 0.00 0.00 34.50 33.08 1azr s PRO 40 CO 0.36 -2.21 1.99 -0.22 0.04 0.00 0.00 177.00 176.97 1azr h LYS 41 N -1.53 0.83 0.00 4.56 3.64 -1.86 -0.10 116.57 122.12 1azr h LYS 41 Ca -0.49 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 1azr h LYS 41 Cb 1.28 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1azr h LYS 41 CO 0.55 0.55 0.00 0.27 -2.27 0.00 0.00 179.45 178.55 1azr n ASN 42 N -4.45 0.14 -0.11 4.20 0.23 -1.26 -1.82 115.26 112.19 1azr n ASN 42 Ca 0.08 0.52 -0.17 0.00 -0.53 0.00 0.00 54.58 54.48 1azr n ASN 42 Cb 0.09 -0.55 -0.10 0.00 -2.08 0.00 0.00 39.78 37.13 1azr n ASN 42 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1azr n VAL 43 N -1.64 1.31 -2.67 3.53 0.31 -0.80 -4.85 118.33 113.53 1azr n VAL 43 Ca 0.06 -0.48 -0.09 0.00 -0.01 0.00 0.00 64.34 63.82 1azr n VAL 43 Cb 0.32 -1.35 0.04 0.00 -0.91 0.00 0.00 33.84 31.93 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 -3.25 1.16 -2.49 5.55 1.56 -0.12 -5.03 117.12 114.49 1azr n MET 44 Ca -0.41 -3.14 -0.34 0.00 -0.27 0.00 0.00 57.70 53.54 1azr n MET 44 Cb 0.92 -1.15 -0.03 0.00 2.15 0.00 0.00 33.22 35.11 1azr n MET 44 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 1azr s GLY 45 N -2.98 2.56 -0.00 -5.12 0.00 -0.75 -4.76 107.32 96.26 1azr s GLY 45 Ca 0.27 0.66 0.01 0.00 0.00 0.00 0.00 44.72 45.65 1azr s GLY 45 CO 0.03 1.00 -0.02 0.30 0.00 0.00 0.00 173.10 174.40 1azr s HIS 46 N -1.91 0.22 0.21 1.90 3.76 -0.49 -4.73 115.29 114.25 1azr s HIS 46 Ca 0.67 -0.05 0.01 0.00 -0.15 0.00 0.00 55.06 55.55 1azr s HIS 46 Cb -0.18 -0.14 -0.05 0.00 1.11 0.00 0.00 32.58 33.32 1azr s HIS 46 CO 0.22 -0.01 0.05 0.16 -0.85 0.00 0.00 174.74 174.31 1azr s ASP 47 N -0.09 1.17 -0.17 1.40 -4.77 -1.26 -0.48 116.67 112.47 1azr s ASP 47 Ca 0.01 -1.27 0.01 0.00 -3.30 0.00 0.00 52.55 48.00 1azr s ASP 47 Cb -0.01 0.14 0.02 0.00 -1.09 0.00 0.00 42.92 41.98 1azr s ASP 47 CO -0.00 -0.65 -0.19 0.86 0.70 0.00 0.00 175.17 175.89 1azr s TRP 48 N -3.71 2.60 0.05 2.11 -0.00 -1.26 -3.99 118.94 114.74 1azr s TRP 48 Ca 0.30 -1.49 0.06 0.00 -0.00 0.00 0.00 56.10 54.98 1azr s TRP 48 Cb 0.07 -1.82 -0.03 0.00 -0.00 0.00 0.00 33.47 31.70 1azr s TRP 48 CO 0.08 -0.74 -0.17 0.08 -0.00 0.00 0.00 176.95 176.20 1azr s VAL 49 N 1.26 1.36 -0.03 5.86 1.01 -0.37 -1.28 120.40 128.21 1azr s VAL 49 Ca 0.03 -1.16 0.05 0.00 0.00 0.00 0.00 61.98 60.90 1azr s VAL 49 Cb -0.13 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.01 1azr s VAL 49 CO -0.11 0.04 -0.20 -0.22 0.00 0.00 0.00 175.10 174.61 1azr s LEU 50 N -1.31 2.00 0.40 3.92 2.96 -0.03 -1.80 118.68 124.81 1azr s LEU 50 Ca 0.04 -0.38 -0.14 0.00 -0.22 0.00 0.00 54.13 53.42 1azr s LEU 50 Cb -0.09 -1.07 0.06 0.00 0.50 0.00 0.00 46.19 45.59 1azr s LEU 50 CO 0.02 0.21 0.78 -0.94 -1.32 0.00 0.00 176.35 175.10 1azr s SER 51 N -0.24 0.10 0.82 3.68 1.04 -1.08 -0.46 113.70 117.55 1azr s SER 51 Ca 0.02 -1.23 -0.12 0.00 0.48 0.00 0.00 55.95 55.10 1azr s SER 51 Cb -0.10 0.86 0.08 0.00 0.10 0.00 0.00 66.02 66.96 1azr s SER 51 CO 0.01 -1.71 1.12 0.42 0.98 0.00 0.00 173.24 174.06 1azr s THR 52 N -2.16 2.73 0.42 2.02 -4.23 -1.26 -0.85 115.64 112.31 1azr s THR 52 Ca 0.17 0.24 0.16 0.00 -1.18 0.00 0.00 61.69 61.08 1azr s THR 52 Cb -0.05 -3.05 0.18 0.00 1.34 0.00 0.00 72.50 70.92 1azr s THR 52 CO 0.13 -0.31 1.96 0.00 -0.54 0.00 0.00 174.62 175.85 1azr h ALA 53 N -1.13 1.53 0.00 3.99 0.00 -1.33 -2.89 119.26 119.43 1azr h ALA 53 Ca -0.48 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.12 1azr h ALA 53 Cb 1.29 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1azr h ALA 53 CO 0.61 0.28 -0.54 0.00 0.00 0.00 0.00 179.25 179.61 1azr h ALA 54 N 1.78 0.84 -0.00 0.00 0.00 -1.92 -3.20 119.26 116.74 1azr h ALA 54 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1azr h ALA 54 Cb 0.42 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1azr h ALA 54 CO 0.03 0.67 -0.44 -0.25 0.00 0.00 0.00 179.25 179.26 1azr n ASP 55 N -3.50 0.92 -0.15 0.00 8.00 -1.10 -4.52 116.55 116.20 1azr n ASP 55 Ca 0.00 -0.72 -0.06 0.00 0.71 0.00 0.00 54.79 54.72 1azr n ASP 55 Cb 0.64 0.30 0.03 0.00 -0.02 0.00 0.00 41.12 42.06 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 0.75 0.54 -0.52 -1.24 1.85 -1.54 -2.70 114.93 112.07 1azr h MET 56 Ca 0.00 -0.03 -0.02 0.00 -0.61 0.00 0.00 59.70 59.03 1azr h MET 56 Cb 0.53 -0.12 -0.02 0.00 0.43 0.00 0.00 31.60 32.41 1azr h MET 56 CO 0.00 0.36 0.23 0.37 -0.40 0.00 0.00 176.91 177.47 1azr h GLN 57 N 0.56 0.76 -0.17 0.39 5.75 -1.83 -1.36 115.11 119.21 1azr h GLN 57 Ca 0.19 -0.13 0.05 0.00 -0.15 0.00 0.00 58.65 58.61 1azr h GLN 57 Cb 0.01 -0.13 -0.05 0.00 1.07 0.00 0.00 27.48 28.38 1azr h GLN 57 CO -0.09 0.65 -0.14 0.78 -2.65 0.00 0.00 178.83 177.39 1azr h GLY 58 N 0.70 -0.01 0.86 2.39 0.00 -1.79 -0.47 103.07 104.74 1azr h GLY 58 Ca 0.18 0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.65 1azr h GLY 58 CO -0.02 -0.14 -0.37 -2.08 0.00 0.00 0.00 176.54 173.93 1azr h VAL 59 N -0.14 0.25 -0.99 4.60 2.07 -1.39 -0.69 116.25 119.95 1azr h VAL 59 Ca 0.11 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.77 1azr h VAL 59 Cb 0.30 0.25 -0.09 0.00 -1.52 0.00 0.00 31.29 30.23 1azr h VAL 59 CO -0.26 0.00 0.62 0.58 0.02 0.00 0.00 177.57 178.53 1azr h VAL 60 N -0.93 0.84 -0.03 2.57 2.07 -1.12 0.08 116.25 119.73 1azr h VAL 60 Ca -0.08 -0.30 -0.08 0.00 0.82 0.00 0.00 66.70 67.06 1azr h VAL 60 Cb 0.75 -0.11 0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1azr h VAL 60 CO 0.08 0.16 -0.31 0.74 0.02 0.00 0.00 177.57 178.26 1azr h THR 61 N 0.87 1.48 -0.10 2.57 2.02 -0.89 -2.08 112.91 116.78 1azr h THR 61 Ca 0.51 -1.84 -0.11 0.00 0.77 0.00 0.00 66.41 65.74 1azr h THR 61 Cb 0.66 2.54 -0.01 0.00 -1.74 0.00 0.00 68.15 69.60 1azr h THR 61 CO -0.29 0.52 -0.45 0.44 0.37 0.00 0.00 175.52 176.10 1azr h ASP 62 N -0.31 0.24 -0.22 4.18 5.19 -1.04 -2.52 116.42 121.94 1azr h ASP 62 Ca -0.03 -0.11 -0.03 0.00 -0.62 0.00 0.00 57.03 56.24 1azr h ASP 62 Cb 1.00 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.44 1azr h ASP 62 CO 0.06 0.67 0.04 1.23 -3.12 0.00 0.00 179.24 178.12 1azr h GLY 63 N 1.28 0.40 0.45 2.75 0.00 -1.00 -2.50 103.07 104.46 1azr h GLY 63 Ca 0.01 -0.27 0.09 0.00 0.00 0.00 0.00 47.33 47.17 1azr h GLY 63 CO 0.07 0.25 0.33 1.98 0.00 0.00 0.00 176.54 179.16 1azr h MET 64 N 0.17 0.54 0.00 4.80 1.85 -1.22 -1.18 114.93 119.90 1azr h MET 64 Ca 0.07 -0.03 -0.02 0.00 -0.61 0.00 0.00 59.70 59.10 1azr h MET 64 Cb 0.32 -0.12 -0.00 0.00 0.43 0.00 0.00 31.60 32.22 1azr h MET 64 CO 0.00 0.36 -0.10 0.00 -0.40 0.00 0.00 176.91 176.77 1azr h ALA 65 N 1.43 1.53 0.00 0.39 0.00 -1.17 -2.98 119.26 118.46 1azr h ALA 65 Ca 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1azr h ALA 65 Cb 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1azr h ALA 65 CO -0.28 0.13 0.00 0.77 0.00 0.00 0.00 179.25 179.87 1azr h SER 66 N 0.00 0.00 -3.99 0.00 0.02 -0.77 -3.50 113.55 105.31 1azr h SER 66 Ca -0.00 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1azr h SER 66 Cb 0.22 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 1azr h SER 66 CO 0.01 0.00 -0.02 0.61 -1.14 0.00 0.00 176.83 176.29 1azr n GLY 67 N 0.79 -2.02 0.32 -3.77 0.00 -1.13 -4.18 105.19 95.21 1azr n GLY 67 Ca 0.03 -1.49 0.16 0.00 0.00 0.00 0.00 46.02 44.73 1azr n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1azr h LEU 68 N -0.03 0.00 -1.71 0.99 5.85 -1.92 -1.08 115.31 117.41 1azr h LEU 68 Ca -0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1azr h LEU 68 Cb 0.03 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1azr h LEU 68 CO 0.00 0.00 -0.18 0.44 -0.34 0.00 0.00 178.44 178.36 1azr h ASP 69 N 0.00 0.00 -0.51 1.25 3.32 -2.01 -1.48 116.42 116.99 1azr h ASP 69 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1azr h ASP 69 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1azr h ASP 69 CO -0.00 0.18 0.00 0.29 -1.72 0.00 0.00 179.24 177.99 1azr n LYS 70 N -3.81 3.77 -3.46 3.56 4.76 -0.44 -4.92 118.16 117.61 1azr n LYS 70 Ca -0.02 -2.87 -0.25 0.00 -2.87 0.00 0.00 58.31 52.31 1azr n LYS 70 Cb 0.28 -1.91 0.00 0.00 -1.84 0.00 0.00 35.03 31.56 1azr n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1azr n ASP 71 N 0.56 -4.00 -4.03 4.39 9.92 -0.56 -2.18 116.55 120.65 1azr n ASP 71 Ca 0.24 -0.47 -0.28 0.00 -0.53 0.00 0.00 54.79 53.75 1azr n ASP 71 Cb 0.92 -3.28 -0.04 0.00 -0.64 0.00 0.00 41.12 38.08 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 -4.09 -1.55 -3.84 1.24 4.01 -0.99 -4.63 117.16 107.29 1azr n TYR 72 Ca -0.01 0.67 -0.12 0.00 -0.16 0.00 0.00 57.90 58.28 1azr n TYR 72 Cb 0.54 -3.46 -0.12 0.00 -0.31 0.00 0.00 39.34 35.98 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 -7.06 1.59 0.21 7.72 1.43 -0.93 -4.34 118.68 117.31 1azr s LEU 73 Ca 0.04 0.15 -0.30 0.00 -1.03 0.00 0.00 54.13 52.99 1azr s LEU 73 Cb -0.02 0.41 -0.08 0.00 0.03 0.00 0.00 46.19 46.53 1azr s LEU 73 CO 0.92 -0.09 1.15 -0.75 0.23 0.00 0.00 176.35 177.82 1azr s LYS 74 N -0.16 4.55 0.30 1.70 2.20 -1.26 -4.85 119.74 122.21 1azr s LYS 74 Ca -0.02 1.84 -0.29 0.00 -0.36 0.00 0.00 55.97 57.13 1azr s LYS 74 Cb -0.02 -3.23 -0.13 0.00 -1.51 0.00 0.00 37.83 32.95 1azr s LYS 74 CO 0.00 0.02 1.34 -2.30 -0.36 0.00 0.00 175.35 174.06 1azr n PRO 75 N 2.07 2.11 -2.78 4.03 -0.02 -1.26 -3.02 135.00 136.12 1azr n PRO 75 Ca 0.02 0.74 -0.15 0.00 -2.02 0.00 0.00 63.50 62.10 1azr n PRO 75 Cb 0.45 -2.36 -0.00 0.00 -0.02 0.00 0.00 33.50 31.57 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 1.33 -3.61 -4.61 2.55 8.00 -1.26 -4.89 116.55 114.06 1azr n ASP 76 Ca 0.07 0.01 -0.43 0.00 0.71 0.00 0.00 54.79 55.15 1azr n ASP 76 Cb 0.34 -3.05 -0.03 0.00 -0.02 0.00 0.00 41.12 38.37 1azr n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1azr s ASP 77 N -2.28 6.02 0.00 -2.24 -1.08 -1.17 -4.87 116.67 111.06 1azr s ASP 77 Ca 0.14 1.55 0.12 0.00 -0.52 0.00 0.00 52.55 53.85 1azr s ASP 77 Cb -0.08 -2.53 0.72 0.00 -1.46 0.00 0.00 42.92 39.58 1azr s ASP 77 CO 0.18 -1.56 1.23 -1.54 0.52 0.00 0.00 175.17 173.99 1azr n SER 78 N 9.73 0.00 0.06 -0.34 3.41 -1.26 -1.78 113.62 123.43 1azr n SER 78 Ca 0.22 -0.96 0.11 0.00 -0.26 0.00 0.00 58.87 57.99 1azr n SER 78 Cb 0.46 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.43 1azr n SER 78 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1azr n ARG 79 N -0.78 0.45 -2.92 4.33 1.74 -1.26 -4.86 116.66 113.36 1azr n ARG 79 Ca 0.09 0.04 -0.42 0.00 -0.77 0.00 0.00 57.85 56.79 1azr n ARG 79 Cb 0.04 -1.69 -0.05 0.00 -1.02 0.00 0.00 32.46 29.74 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 -3.29 4.78 0.08 1.55 1.01 -0.73 -4.53 120.40 119.28 1azr s VAL 80 Ca 0.01 1.29 -0.14 0.00 0.00 0.00 0.00 61.98 63.14 1azr s VAL 80 Cb 0.12 -4.16 -0.18 0.00 0.00 0.00 0.00 36.38 32.17 1azr s VAL 80 CO 0.79 -0.23 1.27 0.40 0.00 0.00 0.00 175.10 177.33 1azr h ILE 81 N 5.57 1.30 -2.65 2.22 2.04 -1.09 -3.48 117.51 121.42 1azr h ILE 81 Ca -0.24 -1.99 0.10 0.00 1.00 0.00 0.00 64.86 63.74 1azr h ILE 81 Cb 1.09 2.10 -0.09 0.00 -0.74 0.00 0.00 36.82 39.19 1azr h ILE 81 CO 0.89 0.62 0.36 0.00 0.00 0.00 0.00 178.15 180.02 1azr s ALA 82 N -3.65 -1.53 -0.04 1.87 0.00 -1.23 -5.00 121.76 112.16 1azr s ALA 82 Ca -0.11 0.18 -0.29 0.00 0.00 0.00 0.00 51.96 51.74 1azr s ALA 82 Cb 0.08 0.71 0.09 0.00 0.00 0.00 0.00 23.12 24.00 1azr s ALA 82 CO 0.89 -0.95 0.81 -3.38 0.00 0.00 0.00 175.76 173.13 1azr s HIS 83 N -3.54 -0.48 0.16 0.00 -3.43 -1.26 -0.85 115.29 105.89 1azr s HIS 83 Ca 0.09 0.65 0.01 0.00 -0.80 0.00 0.00 55.06 55.01 1azr s HIS 83 Cb -0.03 0.47 0.03 0.00 -1.43 0.00 0.00 32.58 31.63 1azr s HIS 83 CO -0.00 -0.55 0.22 0.25 -2.00 0.00 0.00 174.74 172.65 1azr n THR 84 N 0.40 0.00 -2.42 -5.38 -2.24 -0.40 -4.86 114.28 99.37 1azr n THR 84 Ca -0.14 -0.43 -0.26 0.00 -2.27 0.00 0.00 64.05 60.95 1azr n THR 84 Cb 0.60 -1.06 0.04 0.00 -2.10 0.00 0.00 70.33 67.81 1azr n THR 84 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1azr s LYS 85 N -2.83 2.72 -0.03 -0.78 1.02 -1.26 -4.69 119.74 113.89 1azr s LYS 85 Ca 0.15 -0.18 -0.23 0.00 0.02 0.00 0.00 55.97 55.74 1azr s LYS 85 Cb -0.01 -2.29 -0.05 0.00 -0.52 0.00 0.00 37.83 34.96 1azr s LYS 85 CO 0.10 -0.79 0.67 -1.17 -0.92 0.00 0.00 175.35 173.24 1azr s LEU 86 N -4.99 4.37 0.24 3.17 2.96 -1.26 -4.39 118.68 118.77 1azr s LEU 86 Ca 0.55 1.22 0.07 0.00 -0.22 0.00 0.00 54.13 55.74 1azr s LEU 86 Cb -0.11 -3.05 -0.05 0.00 0.50 0.00 0.00 46.19 43.48 1azr s LEU 86 CO 0.44 -0.02 -0.09 0.27 -1.32 0.00 0.00 176.35 175.62 1azr s ILE 87 N 0.34 1.62 0.26 6.68 -4.36 0.37 -4.89 121.20 121.22 1azr s ILE 87 Ca 0.35 -2.15 0.02 0.00 -0.26 0.00 0.00 60.65 58.60 1azr s ILE 87 Cb -0.18 -2.25 0.02 0.00 1.25 0.00 0.00 42.46 41.30 1azr s ILE 87 CO 0.18 -0.44 0.13 0.61 0.24 0.00 0.00 174.94 175.66 1azr n GLY 88 N -0.47 3.27 3.76 6.27 0.00 -1.26 -1.39 105.19 115.36 1azr n GLY 88 Ca -0.07 -2.26 -0.37 0.00 0.00 0.00 0.00 46.02 43.33 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 -2.51 5.53 -0.10 1.61 1.04 -1.06 -1.99 113.70 116.21 1azr s SER 89 Ca 0.10 2.44 0.00 0.00 0.48 0.00 0.00 55.95 58.97 1azr s SER 89 Cb -0.01 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.50 1azr s SER 89 CO 0.06 -1.37 0.00 0.61 0.98 0.00 0.00 173.24 173.53 1azr n GLY 90 N 0.52 0.32 3.82 7.32 0.00 -0.61 -4.99 105.19 111.57 1azr n GLY 90 Ca 0.11 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 1azr n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1azr s GLU 91 N -1.22 2.37 0.07 1.61 2.02 -0.84 -4.96 118.70 117.74 1azr s GLU 91 Ca 0.00 -1.73 -0.26 0.00 0.02 0.00 0.00 54.97 53.00 1azr s GLU 91 Cb 0.00 -2.17 0.07 0.00 0.10 0.00 0.00 34.13 32.13 1azr s GLU 91 CO 0.00 -0.21 0.62 -1.59 0.02 0.00 0.00 175.26 174.10 1azr s LYS 92 N -4.05 1.18 0.31 1.61 -2.85 -1.26 -2.01 119.74 112.67 1azr s LYS 92 Ca 0.43 -0.18 -0.06 0.00 -1.00 0.00 0.00 55.97 55.17 1azr s LYS 92 Cb 0.00 0.55 0.00 0.00 -2.06 0.00 0.00 37.83 36.32 1azr s LYS 92 CO 0.25 -0.46 0.47 0.34 0.10 0.00 0.00 175.35 176.05 1azr s ASP 93 N -2.11 0.56 -0.09 0.03 2.15 -0.55 -4.99 116.67 111.67 1azr s ASP 93 Ca -0.04 -1.32 -0.14 0.00 0.43 0.00 0.00 52.55 51.48 1azr s ASP 93 Cb -0.01 0.64 0.03 0.00 -0.30 0.00 0.00 42.92 43.28 1azr s ASP 93 CO -0.04 -1.25 0.35 -0.55 -0.17 0.00 0.00 175.17 173.52 1azr s SER 94 N -3.17 -0.31 0.01 -0.34 0.15 -1.26 -1.06 113.70 107.72 1azr s SER 94 Ca 0.28 0.49 0.02 0.00 0.70 0.00 0.00 55.95 57.44 1azr s SER 94 Cb -0.00 0.57 -0.01 0.00 -1.71 0.00 0.00 66.02 64.87 1azr s SER 94 CO 0.16 -0.26 -0.07 0.54 1.20 0.00 0.00 173.24 174.81 1azr s VAL 95 N -0.43 0.53 -0.03 4.45 0.11 -0.33 -4.97 120.40 119.73 1azr s VAL 95 Ca -0.06 -0.56 0.05 0.00 -2.93 0.00 0.00 61.98 58.48 1azr s VAL 95 Cb -0.04 -0.50 -0.01 0.00 -1.53 0.00 0.00 36.38 34.31 1azr s VAL 95 CO 0.02 -0.04 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.67 1azr s THR 96 N -0.58 1.53 0.16 5.04 2.01 -1.26 -1.35 115.64 121.19 1azr s THR 96 Ca -0.02 -0.79 0.03 0.00 0.31 0.00 0.00 61.69 61.22 1azr s THR 96 Cb -0.05 -1.30 -0.05 0.00 0.01 0.00 0.00 72.50 71.12 1azr s THR 96 CO 0.00 0.44 -0.05 0.72 -0.69 0.00 0.00 174.62 175.04 1azr s PHE 97 N -0.16 1.27 -0.36 4.92 -0.71 -0.39 -4.95 117.98 117.60 1azr s PHE 97 Ca 0.00 -0.88 -0.26 0.00 -1.04 0.00 0.00 56.93 54.76 1azr s PHE 97 Cb -0.10 -0.69 0.01 0.00 -1.21 0.00 0.00 43.02 41.03 1azr s PHE 97 CO 0.01 -0.04 0.93 0.34 -1.34 0.00 0.00 175.22 175.12 1azr s ASP 98 N -3.18 6.70 0.58 1.98 2.15 -1.26 -1.16 116.67 122.47 1azr s ASP 98 Ca 0.20 0.62 0.37 0.00 0.43 0.00 0.00 52.55 54.18 1azr s ASP 98 Cb 0.04 -2.47 2.02 0.00 -0.30 0.00 0.00 42.92 42.21 1azr s ASP 98 CO 0.02 -0.84 2.13 0.58 -0.17 0.00 0.00 175.17 176.89 1azr h VAL 99 N 5.80 0.00 0.00 1.11 2.07 -1.77 -1.89 116.25 121.57 1azr h VAL 99 Ca -0.23 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1azr h VAL 99 Cb 1.08 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1azr h VAL 99 CO 0.98 0.00 0.00 -1.20 0.02 0.00 0.00 177.57 177.37 1azr n SER 100 N -2.84 0.34 -0.87 0.57 7.64 -1.26 -1.68 113.62 115.52 1azr n SER 100 Ca -0.02 0.65 0.11 0.00 1.01 0.00 0.00 58.87 60.61 1azr n SER 100 Cb 0.10 -0.70 0.28 0.00 -1.01 0.00 0.00 64.21 62.89 1azr n SER 100 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1azr n LYS 101 N -1.95 2.14 -4.48 1.43 5.02 -0.71 -4.83 118.16 114.79 1azr n LYS 101 Ca -0.00 -1.73 -0.34 0.00 -2.02 0.00 0.00 58.31 54.23 1azr n LYS 101 Cb 0.05 -1.45 -0.12 0.00 -0.02 0.00 0.00 35.03 33.49 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 -1.48 3.17 0.19 -0.35 1.43 -0.68 -5.12 118.68 115.85 1azr s LEU 102 Ca 0.35 -0.14 0.05 0.00 -1.03 0.00 0.00 54.13 53.36 1azr s LEU 102 Cb 0.20 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 1azr s LEU 102 CO 0.28 0.19 0.21 -1.59 0.23 0.00 0.00 176.35 175.68 1azr s LYS 103 N 0.20 3.10 0.28 1.70 -2.85 -1.26 -5.05 119.74 115.86 1azr s LYS 103 Ca -0.03 -0.83 -0.29 0.00 -1.00 0.00 0.00 55.97 53.82 1azr s LYS 103 Cb -0.14 -2.73 -0.09 0.00 -2.06 0.00 0.00 37.83 32.80 1azr s LYS 103 CO 0.03 0.47 0.98 -1.83 0.10 0.00 0.00 175.35 175.10 1azr s GLU 104 N -3.42 4.71 0.00 1.78 -1.05 -1.26 -3.70 118.70 115.76 1azr s GLU 104 Ca 0.33 1.52 0.00 0.00 -0.15 0.00 0.00 54.97 56.66 1azr s GLU 104 Cb -0.10 -3.10 0.00 0.00 -0.44 0.00 0.00 34.13 30.49 1azr s GLU 104 CO 0.26 0.36 0.00 0.41 0.95 0.00 0.00 175.26 177.24 1azr n GLY 105 N 1.14 0.86 3.43 -3.83 0.00 -1.26 -5.06 105.19 100.46 1azr n GLY 105 Ca -0.00 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.66 2.09 -0.22 1.61 2.12 -1.24 -5.10 118.70 117.29 1azr s GLU 106 Ca 0.00 -0.96 -0.16 0.00 0.36 0.00 0.00 54.97 54.22 1azr s GLU 106 Cb 0.00 -2.16 -0.04 0.00 0.26 0.00 0.00 34.13 32.19 1azr s GLU 106 CO 0.00 0.55 0.40 -0.65 -0.54 0.00 0.00 175.26 175.02 1azr s GLN 107 N -1.22 4.13 0.15 4.30 -0.21 -1.26 -4.91 119.66 120.64 1azr s GLN 107 Ca 0.13 0.17 0.06 0.00 0.02 0.00 0.00 55.36 55.74 1azr s GLN 107 Cb -0.10 -3.57 -0.04 0.00 1.00 0.00 0.00 33.01 30.29 1azr s GLN 107 CO 0.03 -0.12 0.01 0.71 -2.12 0.00 0.00 175.29 173.81 1azr s TYR 108 N 1.56 2.91 0.01 0.91 2.02 -1.25 -0.94 117.35 122.58 1azr s TYR 108 Ca 0.18 -0.10 0.03 0.00 -0.37 0.00 0.00 57.07 56.82 1azr s TYR 108 Cb -0.15 -1.43 -0.01 0.00 -0.40 0.00 0.00 41.96 39.97 1azr s TYR 108 CO 0.08 0.51 -0.10 -1.64 -1.57 0.00 0.00 175.55 172.83 1azr s MET 109 N -2.80 0.77 0.04 -0.62 -1.94 -0.03 -2.51 119.30 112.21 1azr s MET 109 Ca 0.27 -0.51 0.06 0.00 -1.71 0.00 0.00 55.69 53.81 1azr s MET 109 Cb -0.10 -0.73 -0.03 0.00 2.01 0.00 0.00 34.83 35.98 1azr s MET 109 CO 0.19 0.19 -0.14 -0.59 -0.01 0.00 0.00 175.02 174.66 1azr s PHE 110 N -0.55 2.67 0.18 -0.03 -0.12 -0.64 -2.64 117.98 116.84 1azr s PHE 110 Ca 0.01 -0.19 -0.23 0.00 -0.05 0.00 0.00 56.93 56.47 1azr s PHE 110 Cb -0.06 -1.50 0.06 0.00 -0.63 0.00 0.00 43.02 40.89 1azr s PHE 110 CO 0.00 0.31 0.69 -0.59 -0.05 0.00 0.00 175.22 175.58 1azr s PHE 111 N -0.98 -0.38 -0.18 3.49 -0.71 -0.74 -2.03 117.98 116.44 1azr s PHE 111 Ca 0.16 0.10 -0.11 0.00 -1.04 0.00 0.00 56.93 56.04 1azr s PHE 111 Cb -0.11 0.61 -0.05 0.00 -1.21 0.00 0.00 43.02 42.26 1azr s PHE 111 CO 0.07 -0.93 0.19 0.00 -1.34 0.00 0.00 175.22 173.21 1azr n THR 113 N 3.50 0.00 -1.66 0.00 -2.24 -1.26 -2.93 114.28 109.69 1azr n THR 113 Ca -0.15 -0.04 -0.48 0.00 -2.27 0.00 0.00 64.05 61.12 1azr n THR 113 Cb 0.52 0.52 -0.05 0.00 -2.10 0.00 0.00 70.33 69.22 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 -1.25 2.13 -1.28 4.78 -0.00 -1.26 -4.50 117.46 116.08 1azr n PHE 114 Ca 0.07 0.31 -0.57 0.00 -0.00 0.00 0.00 57.45 57.25 1azr n PHE 114 Cb 0.35 -2.52 -0.11 0.00 -0.00 0.00 0.00 39.48 37.20 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 3.72 0.00 0.00 -7.13 -0.02 -1.26 -0.87 135.00 129.44 1azr n PRO 115 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1azr n PRO 115 Cb 0.27 -1.38 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 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 6.01 2.30 0.23 -1.23 0.00 -1.26 -4.90 105.19 106.34 1azr n GLY 116 Ca 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.44 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 0.45 0.00 1.61 3.86 -1.25 -3.03 115.15 116.78 1azr h HIS 117 Ca 0.00 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 1azr h HIS 117 Cb 0.00 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.36 1azr h HIS 117 CO 0.00 0.62 0.04 -1.13 0.86 0.00 0.00 177.93 178.32 1azr n SER 118 N -4.13 0.42 -0.12 2.45 3.41 -1.15 -1.15 113.62 113.35 1azr n SER 118 Ca -0.01 0.68 -0.03 0.00 -0.26 0.00 0.00 58.87 59.25 1azr n SER 118 Cb 0.39 -0.72 0.19 0.00 -0.26 0.00 0.00 64.21 63.81 1azr n SER 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1azr h ALA 119 N 1.90 1.21 0.00 7.33 0.00 -1.87 -3.34 119.26 124.48 1azr h ALA 119 Ca 0.00 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 1azr h ALA 119 Cb 0.07 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1azr h ALA 119 CO 0.00 0.54 -1.59 1.28 0.00 0.00 0.00 179.25 179.48 1azr n LEU 120 N -4.27 0.89 -4.45 0.00 4.77 -0.51 -4.84 117.00 108.59 1azr n LEU 120 Ca 0.04 -0.02 -0.44 0.00 -0.03 0.00 0.00 56.01 55.56 1azr n LEU 120 Cb 0.24 0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1azr n LEU 120 CO 0.40 0.35 1.33 -0.04 -1.33 0.00 0.00 177.39 178.10 1azr s MET 121 N -2.21 4.10 0.16 3.23 -1.94 -0.30 -4.78 119.30 117.56 1azr s MET 121 Ca -0.07 -2.64 -0.17 0.00 -1.71 0.00 0.00 55.69 51.09 1azr s MET 121 Cb 0.03 -5.01 0.04 0.00 2.01 0.00 0.00 34.83 31.90 1azr s MET 121 CO 0.32 -1.71 0.47 -1.59 -0.01 0.00 0.00 175.02 172.50 1azr s LYS 122 N 1.29 1.22 0.06 2.03 -2.85 -1.26 -2.22 119.74 118.01 1azr s LYS 122 Ca 0.41 -0.75 -0.27 0.00 -1.00 0.00 0.00 55.97 54.37 1azr s LYS 122 Cb -0.04 0.50 0.09 0.00 -2.06 0.00 0.00 37.83 36.33 1azr s LYS 122 CO -0.01 -0.50 1.19 0.20 0.10 0.00 0.00 175.35 176.32 1azr s GLY 123 N -2.83 -0.16 0.18 0.59 0.00 -0.86 -4.65 107.32 99.59 1azr s GLY 123 Ca 0.05 0.14 -0.01 0.00 0.00 0.00 0.00 44.72 44.90 1azr s GLY 123 CO -0.08 2.57 0.36 -0.51 0.00 0.00 0.00 173.10 175.43 1azr s THR 124 N -2.31 5.23 -0.04 0.90 -4.23 -0.85 -1.62 115.64 112.72 1azr s THR 124 Ca 0.21 -0.38 0.04 0.00 -1.18 0.00 0.00 61.69 60.39 1azr s THR 124 Cb 0.00 -3.72 -0.00 0.00 1.34 0.00 0.00 72.50 70.13 1azr s THR 124 CO 0.00 -0.11 -0.17 -0.22 -0.54 0.00 0.00 174.62 173.58 1azr s LEU 125 N -3.18 1.91 -0.07 4.79 0.20 -1.04 -0.56 118.68 120.73 1azr s LEU 125 Ca 0.38 -0.35 -0.05 0.00 0.69 0.00 0.00 54.13 54.80 1azr s LEU 125 Cb -0.11 -0.95 0.03 0.00 -0.43 0.00 0.00 46.19 44.72 1azr s LEU 125 CO 0.28 0.15 0.17 0.28 -0.29 0.00 0.00 176.35 176.94 1azr s THR 126 N 0.06 -0.02 0.03 3.68 -1.32 -0.32 -3.74 115.64 114.01 1azr s THR 126 Ca -0.04 0.08 -0.30 0.00 -1.21 0.00 0.00 61.69 60.21 1azr s THR 126 Cb -0.11 -0.25 -0.05 0.00 -1.51 0.00 0.00 72.50 70.57 1azr s THR 126 CO 0.02 0.03 1.25 -0.76 -2.21 0.00 0.00 174.62 172.95 1azr s LEU 127 N 0.58 4.34 0.00 9.08 1.43 -1.26 -1.23 118.68 131.63 1azr s LEU 127 Ca -0.04 2.01 0.00 0.00 -1.03 0.00 0.00 54.13 55.07 1azr s LEU 127 Cb -0.06 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.59 1azr s LEU 127 CO -0.03 -0.55 0.00 0.29 0.23 0.00 0.00 176.35 176.29