#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1azb s GLN 2 N 0.00 3.38 -0.65 0.00 -0.21 -1.26 -4.97 119.66 115.95 1azb s GLN 2 Ca 0.00 1.36 0.01 0.00 0.02 0.00 0.00 55.36 56.75 1azb s GLN 2 Cb 0.00 -2.03 0.40 0.00 1.00 0.00 0.00 33.01 32.37 1azb s GLN 2 CO 0.00 -0.78 1.70 0.00 -2.12 0.00 0.00 175.29 174.09 1azb s GLU 4 N -3.85 0.70 -0.04 0.00 2.02 -1.26 -1.48 118.70 114.79 1azb s GLU 4 Ca 0.53 -0.70 -0.17 0.00 0.02 0.00 0.00 54.97 54.65 1azb s GLU 4 Cb 0.44 0.29 0.03 0.00 0.10 0.00 0.00 34.13 34.99 1azb s GLU 4 CO -0.25 -0.20 0.37 0.00 0.02 0.00 0.00 175.26 175.21 1azb s ALA 5 N -2.78 -0.95 -0.13 5.21 0.00 -0.38 -4.93 121.76 117.80 1azb s ALA 5 Ca -0.03 0.59 -0.02 0.00 0.00 0.00 0.00 51.96 52.50 1azb s ALA 5 Cb -0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 1azb s ALA 5 CO -0.05 -0.26 -0.07 0.99 0.00 0.00 0.00 175.76 176.37 1azb s THR 6 N -1.05 3.61 -0.04 0.00 2.01 -1.26 -0.93 115.64 117.98 1azb s THR 6 Ca -0.11 -0.47 0.03 0.00 0.31 0.00 0.00 61.69 61.46 1azb s THR 6 Cb -0.04 -2.55 0.00 0.00 0.01 0.00 0.00 72.50 69.92 1azb s THR 6 CO 0.04 0.52 -0.14 -0.51 -0.69 0.00 0.00 174.62 173.84 1azb s ILE 7 N 0.18 1.23 0.00 1.82 2.07 0.35 -4.96 121.20 121.90 1azb s ILE 7 Ca -0.04 -0.59 -0.01 0.00 -1.41 0.00 0.00 60.65 58.60 1azb s ILE 7 Cb -0.14 -1.08 -0.04 0.00 0.13 0.00 0.00 42.46 41.33 1azb s ILE 7 CO 0.04 0.36 0.13 -1.61 -1.91 0.00 0.00 174.94 171.95 1azb s GLU 8 N 0.19 3.23 0.08 3.50 2.02 -1.26 -1.52 118.70 124.94 1azb s GLU 8 Ca -0.06 -0.42 0.07 0.00 0.02 0.00 0.00 54.97 54.58 1azb s GLU 8 Cb -0.12 -2.96 -0.03 0.00 0.10 0.00 0.00 34.13 31.12 1azb s GLU 8 CO 0.02 0.65 -0.18 -1.54 0.02 0.00 0.00 175.26 174.24 1azb s SER 9 N -1.89 2.14 0.00 -0.19 1.04 0.19 -1.46 113.70 113.54 1azb s SER 9 Ca 0.26 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1azb s SER 9 Cb -0.12 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 65.89 1azb s SER 9 CO 0.17 0.01 0.00 -0.46 0.98 0.00 0.00 173.24 173.94 1azb n ASN 10 N 1.28 0.16 0.00 7.02 0.23 -1.04 -0.86 115.26 122.06 1azb n ASN 10 Ca -0.20 -0.92 0.11 0.00 -0.53 0.00 0.00 54.58 53.04 1azb n ASN 10 Cb 0.54 0.00 0.51 0.00 -2.08 0.00 0.00 39.78 38.75 1azb n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1azb n ASP 11 N -2.61 0.00 -1.08 0.53 8.00 -1.26 -2.87 116.55 117.26 1azb n ASP 11 Ca 0.00 0.33 0.11 0.00 0.71 0.00 0.00 54.79 55.94 1azb n ASP 11 Cb 0.00 -0.43 0.27 0.00 -0.02 0.00 0.00 41.12 40.93 1azb n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1azb n ALA 12 N -1.43 2.42 -3.17 2.24 0.00 -1.26 -4.95 120.51 114.36 1azb n ALA 12 Ca 0.07 -0.99 -0.14 0.00 0.00 0.00 0.00 53.44 52.38 1azb n ALA 12 Cb 0.24 -0.94 0.07 0.00 0.00 0.00 0.00 19.45 18.82 1azb n ALA 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1azb n MET 13 N 1.25 -5.06 -4.16 0.00 2.81 -1.14 -5.03 117.12 105.80 1azb n MET 13 Ca 0.20 0.72 -0.10 0.00 -1.81 0.00 0.00 57.70 56.71 1azb n MET 13 Cb 0.52 -5.32 -0.10 0.00 -0.71 0.00 0.00 33.22 27.61 1azb n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1azb s GLN 14 N -5.01 0.80 0.21 0.03 -0.21 -1.26 -4.39 119.66 109.84 1azb s GLN 14 Ca 0.06 -1.30 0.06 0.00 0.02 0.00 0.00 55.36 54.19 1azb s GLN 14 Cb -0.01 -0.15 -0.04 0.00 1.00 0.00 0.00 33.01 33.81 1azb s GLN 14 CO 0.62 -0.03 0.19 0.71 -2.12 0.00 0.00 175.29 174.66 1azb s TYR 15 N -3.59 3.17 -2.54 0.91 2.02 -1.26 -2.49 117.35 113.57 1azb s TYR 15 Ca 0.10 -0.06 0.26 0.00 -0.37 0.00 0.00 57.07 57.01 1azb s TYR 15 Cb 0.05 -1.47 0.84 0.00 -0.40 0.00 0.00 41.96 40.98 1azb s TYR 15 CO -0.05 0.51 1.62 0.27 -1.57 0.00 0.00 175.55 176.33 1azb n ASN 16 N -0.87 1.85 -4.08 2.29 6.94 -0.53 -4.81 115.26 116.05 1azb n ASN 16 Ca -0.08 -1.63 -0.26 0.00 -0.02 0.00 0.00 54.58 52.59 1azb n ASN 16 Cb 0.56 -0.03 -0.16 0.00 -2.36 0.00 0.00 39.78 37.79 1azb n ASN 16 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1azb s LEU 17 N -1.91 1.79 0.03 -4.53 1.43 -1.26 -4.97 118.68 109.25 1azb s LEU 17 Ca 0.35 -0.34 0.21 0.00 -1.03 0.00 0.00 54.13 53.32 1azb s LEU 17 Cb 0.20 -0.93 -0.21 0.00 0.03 0.00 0.00 46.19 45.28 1azb s LEU 17 CO 0.32 0.08 0.63 0.29 0.23 0.00 0.00 176.35 177.90 1azb n LYS 18 N 3.57 0.64 -3.92 1.70 4.01 -1.26 -4.78 118.16 118.13 1azb n LYS 18 Ca -0.21 -0.03 -0.10 0.00 -0.51 0.00 0.00 58.31 57.45 1azb n LYS 18 Cb 0.52 -1.64 -0.11 0.00 -0.51 0.00 0.00 35.03 33.29 1azb n LYS 18 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 1azb s GLU 19 N -3.28 0.31 -0.01 1.97 2.12 -1.26 -0.84 118.70 117.71 1azb s GLU 19 Ca -0.06 -0.38 0.02 0.00 0.36 0.00 0.00 54.97 54.91 1azb s GLU 19 Cb 0.11 0.12 -0.00 0.00 0.26 0.00 0.00 34.13 34.62 1azb s GLU 19 CO 0.86 -0.06 -0.07 -1.64 -0.54 0.00 0.00 175.26 173.81 1azb s MET 20 N -1.09 0.62 -0.07 4.30 -1.94 0.98 -4.92 119.30 117.18 1azb s MET 20 Ca -0.12 -0.24 0.05 0.00 -1.71 0.00 0.00 55.69 53.67 1azb s MET 20 Cb -0.07 -0.61 -0.01 0.00 2.01 0.00 0.00 34.83 36.16 1azb s MET 20 CO 0.00 0.13 -0.24 0.08 -0.01 0.00 0.00 175.02 174.97 1azb s VAL 21 N -0.04 2.04 -0.23 -6.03 1.01 -1.26 -2.10 120.40 113.79 1azb s VAL 21 Ca 0.01 -1.04 -0.08 0.00 0.00 0.00 0.00 61.98 60.87 1azb s VAL 21 Cb -0.04 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1azb s VAL 21 CO -0.00 0.56 0.09 -0.69 0.00 0.00 0.00 175.10 175.06 1azb s VAL 22 N 0.04 4.65 0.26 2.92 1.01 -0.18 -4.91 120.40 124.19 1azb s VAL 22 Ca -0.10 -0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.52 1azb s VAL 22 Cb -0.15 -3.15 -0.10 0.00 0.00 0.00 0.00 36.38 32.97 1azb s VAL 22 CO 0.06 0.36 1.35 -0.62 0.00 0.00 0.00 175.10 176.25 1azb s ASP 23 N 1.22 6.79 0.46 3.32 2.15 -1.26 -0.62 116.67 128.73 1azb s ASP 23 Ca 0.05 2.58 0.32 0.00 0.43 0.00 0.00 52.55 55.93 1azb s ASP 23 Cb -0.14 -2.63 1.57 0.00 -0.30 0.00 0.00 42.92 41.42 1azb s ASP 23 CO 0.04 -0.58 1.96 0.11 -0.17 0.00 0.00 175.17 176.53 1azb h LYS 24 N 4.59 0.00 0.00 4.34 1.57 -1.95 -0.20 116.57 124.92 1azb h LYS 24 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1azb h LYS 24 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1azb h LYS 24 CO 0.73 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 178.48 1azb n SER 25 N -2.68 0.00 -4.80 0.86 3.41 -1.26 -4.82 113.62 104.33 1azb n SER 25 Ca -0.01 0.08 -0.38 0.00 -0.26 0.00 0.00 58.87 58.30 1azb n SER 25 Cb 0.14 -0.33 -0.06 0.00 -0.26 0.00 0.00 64.21 63.70 1azb n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1azb n LYS 27 N 2.14 0.72 -4.30 0.00 4.81 -1.26 -4.70 118.16 115.57 1azb n LYS 27 Ca -0.11 0.27 -0.16 0.00 -0.87 0.00 0.00 58.31 57.44 1azb n LYS 27 Cb 0.51 -1.74 -0.10 0.00 0.02 0.00 0.00 35.03 33.73 1azb n LYS 27 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1azb s GLN 28 N -2.57 1.20 -0.01 1.64 -0.21 -1.26 -1.48 119.66 116.97 1azb s GLN 28 Ca -0.17 -1.54 -0.01 0.00 0.02 0.00 0.00 55.36 53.66 1azb s GLN 28 Cb 0.07 -0.78 0.00 0.00 1.00 0.00 0.00 33.01 33.30 1azb s GLN 28 CO 0.79 0.08 0.03 0.12 -2.12 0.00 0.00 175.29 174.18 1azb s PHE 29 N -3.23 -0.02 -0.07 0.91 5.36 -0.51 -4.77 117.98 115.65 1azb s PHE 29 Ca 0.21 0.04 0.04 0.00 -0.96 0.00 0.00 56.93 56.27 1azb s PHE 29 Cb 0.02 -0.00 -0.01 0.00 -0.34 0.00 0.00 43.02 42.69 1azb s PHE 29 CO 0.04 -0.03 -0.21 0.99 -1.46 0.00 0.00 175.22 174.55 1azb s THR 30 N -0.11 2.40 -0.16 0.12 2.01 -0.55 -1.21 115.64 118.14 1azb s THR 30 Ca -0.01 -0.93 -0.02 0.00 0.31 0.00 0.00 61.69 61.04 1azb s THR 30 Cb -0.01 -1.92 -0.01 0.00 0.01 0.00 0.00 72.50 70.57 1azb s THR 30 CO 0.00 0.56 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.70 1azb s VAL 31 N -0.13 3.15 -0.30 3.82 1.01 -0.03 -1.24 120.40 126.68 1azb s VAL 31 Ca -0.04 -0.60 -0.08 0.00 0.00 0.00 0.00 61.98 61.26 1azb s VAL 31 Cb -0.14 -2.36 -0.00 0.00 0.00 0.00 0.00 36.38 33.88 1azb s VAL 31 CO 0.04 0.49 0.12 -1.00 0.00 0.00 0.00 175.10 174.75 1azb s HIS 32 N 0.78 3.16 -0.18 5.22 3.76 -0.11 -1.00 115.29 126.92 1azb s HIS 32 Ca -0.04 -0.73 -0.10 0.00 -0.15 0.00 0.00 55.06 54.05 1azb s HIS 32 Cb -0.15 -2.30 -0.05 0.00 1.11 0.00 0.00 32.58 31.19 1azb s HIS 32 CO 0.01 -0.50 0.15 -1.17 -0.85 0.00 0.00 174.74 172.38 1azb s LEU 33 N 1.57 4.25 -0.03 0.89 2.96 0.39 -0.50 118.68 128.21 1azb s LEU 33 Ca 0.04 0.31 0.07 0.00 -0.22 0.00 0.00 54.13 54.33 1azb s LEU 33 Cb -0.17 -2.11 -0.02 0.00 0.50 0.00 0.00 46.19 44.39 1azb s LEU 33 CO 0.04 0.22 -0.24 -0.54 -1.32 0.00 0.00 176.35 174.51 1azb s LYS 34 N 0.08 2.07 -0.44 1.98 1.02 -0.58 -0.98 119.74 122.90 1azb s LYS 34 Ca 0.10 -0.87 -0.09 0.00 0.02 0.00 0.00 55.97 55.13 1azb s LYS 34 Cb -0.11 -1.95 0.09 0.00 -0.52 0.00 0.00 37.83 35.34 1azb s LYS 34 CO -0.00 0.50 0.29 -1.58 -0.92 0.00 0.00 175.35 173.63 1azb s HIS 35 N -0.49 3.38 -2.30 3.18 5.65 -0.55 -0.64 115.29 123.51 1azb s HIS 35 Ca 0.07 -1.68 0.21 0.00 0.25 0.00 0.00 55.06 53.91 1azb s HIS 35 Cb -0.10 -3.16 0.56 0.00 -1.18 0.00 0.00 32.58 28.69 1azb s HIS 35 CO -0.00 -0.90 1.45 1.33 -0.65 0.00 0.00 174.74 175.97 1azb n VAL 36 N 4.91 0.42 -1.08 0.89 0.24 -0.04 -1.59 118.33 122.08 1azb n VAL 36 Ca -0.09 -0.57 0.00 0.00 -2.04 0.00 0.00 64.34 61.64 1azb n VAL 36 Cb 0.42 0.61 0.00 0.00 -1.47 0.00 0.00 33.84 33.40 1azb n VAL 36 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1azb n GLY 37 N 1.32 -0.30 0.08 7.63 0.00 -1.25 -4.81 105.19 107.85 1azb n GLY 37 Ca 0.18 -1.76 0.04 0.00 0.00 0.00 0.00 46.02 44.48 1azb n GLY 37 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1azb n LYS 38 N -0.61 1.71 -3.28 1.61 2.85 -1.26 -3.31 118.16 115.88 1azb n LYS 38 Ca 0.00 -1.75 -0.33 0.00 -1.05 0.00 0.00 58.31 55.18 1azb n LYS 38 Cb 0.00 -1.09 -0.06 0.00 -0.65 0.00 0.00 35.03 33.24 1azb n LYS 38 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1azb s MET 39 N -1.51 3.94 0.58 -1.58 -1.94 -1.26 -4.80 119.30 112.74 1azb s MET 39 Ca 0.12 0.51 -0.16 0.00 -1.71 0.00 0.00 55.69 54.45 1azb s MET 39 Cb 0.11 -2.63 -0.04 0.00 2.01 0.00 0.00 34.83 34.28 1azb s MET 39 CO 0.01 0.29 1.05 0.00 -0.01 0.00 0.00 175.02 176.36 1azb s ALA 40 N -1.80 2.76 0.49 3.03 0.00 -1.26 -0.13 121.76 124.84 1azb s ALA 40 Ca 0.48 0.40 0.16 0.00 0.00 0.00 0.00 51.96 53.00 1azb s ALA 40 Cb -0.12 -3.23 1.17 0.00 0.00 0.00 0.00 23.12 20.95 1azb s ALA 40 CO 0.19 -0.75 2.07 1.57 0.00 0.00 0.00 175.76 178.84 1azb h LYS 41 N 0.53 0.17 0.00 0.00 2.10 -1.84 0.17 116.57 117.70 1azb h LYS 41 Ca -0.47 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1azb h LYS 41 Cb 1.22 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1azb h LYS 41 CO 0.58 0.11 0.00 -0.39 -2.00 0.00 0.00 179.45 177.75 1azb h VAL 42 N 0.18 0.00 0.00 0.07 -1.51 -1.96 -2.22 116.25 110.81 1azb h VAL 42 Ca 0.12 -0.37 -0.21 0.00 -1.23 0.00 0.00 66.70 65.01 1azb h VAL 42 Cb 0.27 1.28 -0.04 0.00 -2.13 0.00 0.00 31.29 30.67 1azb h VAL 42 CO -0.02 0.00 -1.82 0.00 -1.23 0.00 0.00 177.57 174.50 1azb n ALA 43 N -2.00 1.72 -2.70 5.19 0.00 -0.39 -4.80 120.51 117.53 1azb n ALA 43 Ca 0.00 -0.78 -0.06 0.00 0.00 0.00 0.00 53.44 52.60 1azb n ALA 43 Cb 0.25 -0.01 0.08 0.00 0.00 0.00 0.00 19.45 19.77 1azb n ALA 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1azb n MET 44 N -2.43 1.28 -2.32 0.00 0.00 0.45 -5.01 117.12 109.09 1azb n MET 44 Ca -0.19 -2.52 -0.34 0.00 -0.00 0.00 0.00 57.70 54.65 1azb n MET 44 Cb 0.88 -0.65 -0.01 0.00 0.00 0.00 0.00 33.22 33.44 1azb n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1azb s GLY 45 N -2.29 2.40 0.05 -5.12 0.00 -0.84 -4.72 107.32 96.81 1azb s GLY 45 Ca 0.23 0.58 0.05 0.00 0.00 0.00 0.00 44.72 45.57 1azb s GLY 45 CO -0.04 0.90 -0.13 0.30 0.00 0.00 0.00 173.10 174.13 1azb s HIS 46 N -2.10 1.13 0.27 1.90 3.76 -0.67 -4.76 115.29 114.81 1azb s HIS 46 Ca 0.67 -0.40 0.03 0.00 -0.15 0.00 0.00 55.06 55.21 1azb s HIS 46 Cb -0.18 -0.66 -0.01 0.00 1.11 0.00 0.00 32.58 32.85 1azb s HIS 46 CO 0.27 0.03 0.12 0.27 -0.85 0.00 0.00 174.74 174.58 1azb n ASN 47 N 1.63 0.82 -3.77 1.40 0.23 -1.26 -0.70 115.26 113.62 1azb n ASN 47 Ca -0.20 -2.49 -0.22 0.00 -0.53 0.00 0.00 54.58 51.15 1azb n ASN 47 Cb 0.55 0.79 -0.17 0.00 -2.08 0.00 0.00 39.78 38.86 1azb n ASN 47 CO 0.00 0.00 0.00 0.86 -0.93 0.00 0.00 177.26 177.19 1azb s TRP 48 N -2.66 0.53 -0.03 -2.53 -0.00 -1.26 -4.18 118.94 108.81 1azb s TRP 48 Ca 0.17 -0.08 0.03 0.00 -0.00 0.00 0.00 56.10 56.22 1azb s TRP 48 Cb 0.01 -0.69 -0.00 0.00 -0.00 0.00 0.00 33.47 32.78 1azb s TRP 48 CO 0.12 -0.27 -0.13 0.08 -0.00 0.00 0.00 176.95 176.75 1azb s VAL 49 N 1.84 1.05 -0.14 5.86 1.01 -0.22 -1.44 120.40 128.37 1azb s VAL 49 Ca 0.02 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.51 1azb s VAL 49 Cb -0.12 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.35 1azb s VAL 49 CO -0.04 0.31 -0.20 -0.22 0.00 0.00 0.00 175.10 174.95 1azb s LEU 50 N 0.07 2.20 0.27 3.92 2.96 0.32 -1.57 118.68 126.85 1azb s LEU 50 Ca -0.02 -0.57 -0.00 0.00 -0.22 0.00 0.00 54.13 53.31 1azb s LEU 50 Cb -0.09 -1.47 -0.02 0.00 0.50 0.00 0.00 46.19 45.10 1azb s LEU 50 CO 0.01 0.08 0.28 0.42 -1.32 0.00 0.00 176.35 175.82 1azb s THR 51 N 0.82 0.00 0.49 3.68 -4.23 -0.70 0.45 115.64 116.15 1azb s THR 51 Ca -0.07 -1.85 -0.21 0.00 -1.18 0.00 0.00 61.69 58.39 1azb s THR 51 Cb -0.15 -2.49 -0.08 0.00 1.34 0.00 0.00 72.50 71.12 1azb s THR 51 CO -0.02 0.00 1.08 -0.54 -0.54 0.00 0.00 174.62 174.60 1azb s LYS 52 N -3.72 3.69 0.42 3.99 1.02 -1.26 -0.97 119.74 122.92 1azb s LYS 52 Ca 0.36 1.48 0.23 0.00 0.02 0.00 0.00 55.97 58.06 1azb s LYS 52 Cb 0.03 -2.13 1.22 0.00 -0.52 0.00 0.00 37.83 36.43 1azb s LYS 52 CO 0.18 -0.54 1.75 1.49 -0.92 0.00 0.00 175.35 177.31 1azb h GLU 53 N 1.57 0.28 0.00 1.68 4.57 -1.88 1.00 114.58 121.79 1azb h GLU 53 Ca -0.50 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 1azb h GLU 53 Cb 1.23 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 1azb h GLU 53 CO 0.59 0.19 0.00 0.00 -1.18 0.00 0.00 179.01 178.60 1azb h ALA 54 N 1.59 1.00 -0.02 2.92 0.00 -1.93 -3.16 119.26 119.67 1azb h ALA 54 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.53 1azb h ALA 54 Cb 1.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1azb h ALA 54 CO -0.27 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 178.73 1azb n ASP 55 N -2.90 1.16 0.00 0.00 8.00 0.34 -4.58 116.55 118.58 1azb n ASP 55 Ca 0.04 -1.40 -0.03 0.00 0.71 0.00 0.00 54.79 54.12 1azb n ASP 55 Cb 0.49 -0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.57 1azb n ASP 55 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1azb h LYS 56 N 1.81 -0.10 -0.80 -1.24 3.64 -1.57 -0.58 116.57 117.73 1azb h LYS 56 Ca 0.00 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.50 1azb h LYS 56 Cb 0.39 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.15 1azb h LYS 56 CO 0.00 -0.07 0.43 1.96 -2.27 0.00 0.00 179.45 179.50 1azb h GLN 57 N -0.10 0.66 -0.41 1.90 4.20 -1.85 -1.17 115.11 118.34 1azb h GLN 57 Ca 0.00 -0.04 -0.13 0.00 0.06 0.00 0.00 58.65 58.54 1azb h GLN 57 Cb 0.11 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1azb h GLN 57 CO -0.06 0.44 -0.27 0.78 -0.67 0.00 0.00 178.83 179.05 1azb h GLY 58 N 0.68 0.98 1.06 3.46 0.00 -1.84 0.12 103.07 107.54 1azb h GLY 58 Ca 0.40 -0.93 -0.11 0.00 0.00 0.00 0.00 47.33 46.70 1azb h GLY 58 CO -0.29 0.84 -0.14 -2.08 0.00 0.00 0.00 176.54 174.87 1azb h VAL 59 N 0.72 1.27 -0.53 4.60 2.07 -0.76 -0.88 116.25 122.74 1azb h VAL 59 Ca 0.08 -1.28 -0.03 0.00 0.82 0.00 0.00 66.70 66.29 1azb h VAL 59 Cb 0.85 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 1azb h VAL 59 CO 0.07 0.44 0.20 0.00 0.02 0.00 0.00 177.57 178.30 1azb h ALA 60 N 0.88 0.69 -0.39 1.67 0.00 -1.13 0.45 119.26 121.42 1azb h ALA 60 Ca 0.12 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1azb h ALA 60 Cb 0.70 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1azb h ALA 60 CO 0.05 0.32 0.03 1.15 0.00 0.00 0.00 179.25 180.80 1azb h THR 61 N 0.72 1.25 0.00 0.00 2.02 -0.76 -1.90 112.91 114.24 1azb h THR 61 Ca 0.17 -0.93 -0.09 0.00 0.77 0.00 0.00 66.41 66.33 1azb h THR 61 Cb 0.23 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1azb h THR 61 CO -0.01 0.32 -0.43 0.44 0.37 0.00 0.00 175.52 176.21 1azb h ASP 62 N 0.51 0.00 -0.11 4.18 3.32 -1.02 -3.04 116.42 120.26 1azb h ASP 62 Ca 0.12 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.02 1azb h ASP 62 Cb 0.42 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1azb h ASP 62 CO 0.01 0.43 -0.44 1.23 -1.72 0.00 0.00 179.24 178.75 1azb h GLY 63 N 2.90 0.71 0.30 2.75 0.00 0.26 -2.92 103.07 107.06 1azb h GLY 63 Ca -0.00 -0.74 0.10 0.00 0.00 0.00 0.00 47.33 46.69 1azb h GLY 63 CO 0.06 0.67 0.20 1.98 0.00 0.00 0.00 176.54 179.44 1azb h MET 64 N 0.53 0.35 0.00 4.80 1.85 -1.29 0.13 114.93 121.30 1azb h MET 64 Ca 0.04 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.11 1azb h MET 64 Cb 0.97 -0.08 0.00 0.00 0.43 0.00 0.00 31.60 32.92 1azb h MET 64 CO 0.09 0.23 0.00 0.09 -0.40 0.00 0.00 176.91 176.92 1azb n ASN 65 N -5.04 0.00 0.20 1.39 3.02 -1.11 -3.32 115.26 110.40 1azb n ASN 65 Ca 0.09 0.43 0.10 0.00 -0.03 0.00 0.00 54.58 55.17 1azb n ASN 65 Cb 0.30 -0.47 0.14 0.00 -0.61 0.00 0.00 39.78 39.14 1azb n ASN 65 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1azb h ALA 66 N 2.71 0.93 0.00 5.41 0.00 -0.69 -3.50 119.26 124.12 1azb h ALA 66 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1azb h ALA 66 Cb 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1azb h ALA 66 CO 0.00 0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.77 1azb n GLY 67 N 1.12 -0.60 0.30 0.00 0.00 -1.21 -4.21 105.19 100.59 1azb n GLY 67 Ca 0.04 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1azb n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1azb h LEU 68 N 0.00 0.74 -1.90 0.99 5.85 -1.91 -0.54 115.31 118.54 1azb h LEU 68 Ca 0.00 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1azb h LEU 68 Cb 0.00 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 1azb h LEU 68 CO 0.00 0.47 -0.10 0.00 -0.34 0.00 0.00 178.44 178.48 1azb h ALA 69 N 1.39 1.18 -0.54 1.25 0.00 -2.01 0.61 119.26 121.13 1azb h ALA 69 Ca 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1azb h ALA 69 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1azb h ALA 69 CO -0.18 0.12 0.00 1.04 0.00 0.00 0.00 179.25 180.23 1azb n GLN 70 N -3.46 2.44 -1.82 0.00 1.13 -0.65 -4.92 117.38 110.10 1azb n GLN 70 Ca -0.01 -2.02 -0.17 0.00 -1.94 0.00 0.00 57.00 52.86 1azb n GLN 70 Cb 0.25 -1.49 -0.05 0.00 0.11 0.00 0.00 30.24 29.05 1azb n GLN 70 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1azb n ASP 71 N 1.05 -5.08 -3.59 1.08 8.00 0.20 -2.80 116.55 115.40 1azb n ASP 71 Ca 0.19 0.26 -0.26 0.00 0.71 0.00 0.00 54.79 55.68 1azb n ASP 71 Cb 0.51 -4.13 0.03 0.00 -0.02 0.00 0.00 41.12 37.52 1azb n ASP 71 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1azb n TYR 72 N -3.07 -2.28 -3.71 1.24 4.01 -0.30 -4.57 117.16 108.47 1azb n TYR 72 Ca -0.19 0.78 -0.15 0.00 -0.16 0.00 0.00 57.90 58.19 1azb n TYR 72 Cb 0.60 -4.12 -0.15 0.00 -0.31 0.00 0.00 39.34 35.36 1azb n TYR 72 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1azb s VAL 73 N -3.22 -0.14 0.26 -0.72 1.01 -1.12 -3.98 120.40 112.49 1azb s VAL 73 Ca 0.54 0.26 -0.31 0.00 0.00 0.00 0.00 61.98 62.47 1azb s VAL 73 Cb -0.26 -0.25 -0.12 0.00 0.00 0.00 0.00 36.38 35.75 1azb s VAL 73 CO 0.67 0.11 1.65 1.17 0.00 0.00 0.00 175.10 178.70 1azb n LYS 74 N 4.69 2.74 -1.78 2.72 4.81 -1.26 -4.89 118.16 125.20 1azb n LYS 74 Ca -0.17 0.98 -0.41 0.00 -0.87 0.00 0.00 58.31 57.84 1azb n LYS 74 Cb 0.51 -2.79 -0.00 0.00 0.02 0.00 0.00 35.03 32.76 1azb n LYS 74 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1azb n ALA 75 N 2.90 2.43 -1.52 3.14 0.00 -1.26 -2.34 120.51 123.86 1azb n ALA 75 Ca 0.12 0.34 -0.18 0.00 0.00 0.00 0.00 53.44 53.72 1azb n ALA 75 Cb 0.36 -2.43 -0.08 0.00 0.00 0.00 0.00 19.45 17.30 1azb n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1azb n GLY 76 N 0.54 1.73 3.63 0.00 0.00 -1.26 -4.90 105.19 104.93 1azb n GLY 76 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1azb n GLY 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1azb s ASP 77 N -2.63 6.00 0.57 1.61 -1.08 -0.99 -4.84 116.67 115.31 1azb s ASP 77 Ca 0.00 2.15 0.35 0.00 -0.52 0.00 0.00 52.55 54.53 1azb s ASP 77 Cb 0.00 -2.52 1.59 0.00 -1.46 0.00 0.00 42.92 40.53 1azb s ASP 77 CO 0.00 -1.49 2.07 0.71 0.52 0.00 0.00 175.17 176.99 1azb h THR 78 N 6.38 0.11 0.00 1.71 1.35 -1.92 -2.71 112.91 117.84 1azb h THR 78 Ca -0.43 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 1azb h THR 78 Cb 1.22 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 1azb h THR 78 CO 0.96 0.03 0.00 0.03 -0.25 0.00 0.00 175.52 176.29 1azb h ARG 79 N 0.00 0.00 -5.65 4.72 3.08 -1.97 -3.43 114.38 111.12 1azb h ARG 79 Ca -0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 1azb h ARG 79 Cb 0.39 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.33 1azb h ARG 79 CO 0.00 0.00 0.29 0.08 -1.07 0.00 0.00 179.97 179.27 1azb s VAL 80 N -3.28 4.85 0.10 2.04 1.01 -1.02 -4.41 120.40 119.69 1azb s VAL 80 Ca 0.07 0.99 -0.13 0.00 0.00 0.00 0.00 61.98 62.90 1azb s VAL 80 Cb 0.09 -4.09 -0.15 0.00 0.00 0.00 0.00 36.38 32.23 1azb s VAL 80 CO 0.58 -0.23 1.31 0.40 0.00 0.00 0.00 175.10 177.16 1azb h ILE 81 N 5.60 1.29 -1.99 2.22 2.04 -0.29 -3.48 117.51 122.90 1azb h ILE 81 Ca -0.25 -1.89 0.04 0.00 1.00 0.00 0.00 64.86 63.76 1azb h ILE 81 Cb 1.10 1.94 -0.19 0.00 -0.74 0.00 0.00 36.82 38.94 1azb h ILE 81 CO 0.85 0.60 0.41 0.00 0.00 0.00 0.00 178.15 180.01 1azb s ALA 82 N -3.82 -1.83 -0.01 1.87 0.00 -1.22 -4.98 121.76 111.76 1azb s ALA 82 Ca -0.11 1.27 -0.26 0.00 0.00 0.00 0.00 51.96 52.86 1azb s ALA 82 Cb 0.08 -0.09 0.06 0.00 0.00 0.00 0.00 23.12 23.17 1azb s ALA 82 CO 0.89 -0.47 0.59 -3.38 0.00 0.00 0.00 175.76 173.39 1azb s HIS 83 N -1.90 -0.53 0.59 0.00 -3.43 -1.26 -0.52 115.29 108.24 1azb s HIS 83 Ca -0.02 0.82 0.02 0.00 -0.80 0.00 0.00 55.06 55.08 1azb s HIS 83 Cb -0.01 0.36 0.11 0.00 -1.43 0.00 0.00 32.58 31.61 1azb s HIS 83 CO -0.00 -0.60 0.80 0.25 -2.00 0.00 0.00 174.74 173.19 1azb n THR 84 N 0.79 0.00 -2.30 -5.38 -2.24 -0.52 -4.88 114.28 99.75 1azb n THR 84 Ca -0.19 -1.40 -0.26 0.00 -2.27 0.00 0.00 64.05 59.93 1azb n THR 84 Cb 0.58 -0.88 0.11 0.00 -2.10 0.00 0.00 70.33 68.04 1azb n THR 84 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1azb s LYS 85 N -4.57 1.67 -0.01 -0.78 1.02 -1.26 -4.61 119.74 111.19 1azb s LYS 85 Ca 0.55 -0.63 -0.25 0.00 0.02 0.00 0.00 55.97 55.66 1azb s LYS 85 Cb -0.03 -2.17 -0.04 0.00 -0.52 0.00 0.00 37.83 35.06 1azb s LYS 85 CO 0.36 -1.56 0.77 0.08 -0.92 0.00 0.00 175.35 174.09 1azb s VAL 86 N -3.33 4.90 0.22 3.17 1.01 -1.26 -4.43 120.40 120.67 1azb s VAL 86 Ca 0.65 1.62 0.09 0.00 0.00 0.00 0.00 61.98 64.34 1azb s VAL 86 Cb -0.07 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 1azb s VAL 86 CO 0.46 0.28 -0.16 0.27 0.00 0.00 0.00 175.10 175.95 1azb s ILE 87 N 0.51 1.94 0.36 2.22 -4.36 0.12 -4.89 121.20 117.12 1azb s ILE 87 Ca 0.40 -2.24 0.03 0.00 -0.26 0.00 0.00 60.65 58.58 1azb s ILE 87 Cb -0.19 -2.10 0.03 0.00 1.25 0.00 0.00 42.46 41.45 1azb s ILE 87 CO 0.22 -0.52 0.25 0.61 0.24 0.00 0.00 174.94 175.74 1azb n GLY 88 N -0.39 2.91 3.67 6.27 0.00 -1.26 -1.68 105.19 114.72 1azb n GLY 88 Ca -0.08 -2.26 -0.44 0.00 0.00 0.00 0.00 46.02 43.24 1azb n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1azb n GLY 89 N 0.60 0.60 2.25 -0.02 0.00 0.81 -1.63 105.19 107.80 1azb n GLY 89 Ca -0.02 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1azb n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1azb n GLY 90 N 1.54 0.53 3.79 -0.02 0.00 -0.62 -4.91 105.19 105.50 1azb n GLY 90 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 1azb n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1azb s GLU 91 N -0.15 2.33 0.06 1.61 2.02 -0.64 -4.97 118.70 118.96 1azb s GLU 91 Ca 0.00 -1.74 -0.10 0.00 0.02 0.00 0.00 54.97 53.15 1azb s GLU 91 Cb 0.00 -2.12 0.00 0.00 0.10 0.00 0.00 34.13 32.12 1azb s GLU 91 CO 0.00 -0.14 0.21 -1.54 0.02 0.00 0.00 175.26 173.81 1azb s SER 92 N -3.98 0.04 0.03 -0.19 1.04 -1.26 -1.48 113.70 107.89 1azb s SER 92 Ca 0.43 -0.45 -0.11 0.00 0.48 0.00 0.00 55.95 56.31 1azb s SER 92 Cb 0.01 0.32 0.01 0.00 0.10 0.00 0.00 66.02 66.47 1azb s SER 92 CO 0.24 -0.64 0.22 -0.62 0.98 0.00 0.00 173.24 173.43 1azb s ASP 93 N -2.40 -0.02 0.07 7.02 2.15 -0.16 -4.99 116.67 118.34 1azb s ASP 93 Ca -0.01 -0.29 0.04 0.00 0.43 0.00 0.00 52.55 52.73 1azb s ASP 93 Cb 0.01 0.30 -0.03 0.00 -0.30 0.00 0.00 42.92 42.90 1azb s ASP 93 CO -0.07 -0.55 -0.13 -0.44 -0.17 0.00 0.00 175.17 173.82 1azb s SER 94 N -1.98 1.50 -0.05 -0.34 0.01 -1.26 -0.46 113.70 111.12 1azb s SER 94 Ca -0.06 -0.62 -0.03 0.00 1.31 0.00 0.00 55.95 56.55 1azb s SER 94 Cb -0.02 -0.03 0.02 0.00 0.21 0.00 0.00 66.02 66.20 1azb s SER 94 CO -0.03 -0.11 0.12 0.54 0.41 0.00 0.00 173.24 174.17 1azb s VAL 95 N -1.38 -0.02 -0.02 3.43 0.11 -0.17 -4.92 120.40 117.44 1azb s VAL 95 Ca -0.03 0.06 0.08 0.00 -2.93 0.00 0.00 61.98 59.15 1azb s VAL 95 Cb -0.10 -0.18 -0.02 0.00 -1.53 0.00 0.00 36.38 34.55 1azb s VAL 95 CO 0.02 0.02 -0.25 -0.89 -3.33 0.00 0.00 175.10 170.68 1azb s THR 96 N 0.41 1.95 0.17 5.04 2.01 -1.26 -0.85 115.64 123.11 1azb s THR 96 Ca -0.03 -1.05 -0.02 0.00 0.31 0.00 0.00 61.69 60.90 1azb s THR 96 Cb -0.04 -1.61 -0.04 0.00 0.01 0.00 0.00 72.50 70.81 1azb s THR 96 CO -0.02 0.55 0.12 0.72 -0.69 0.00 0.00 174.62 175.30 1azb s PHE 97 N -0.57 0.98 -0.10 4.92 -0.71 -0.35 -4.96 117.98 117.19 1azb s PHE 97 Ca 0.09 -1.27 -0.29 0.00 -1.04 0.00 0.00 56.93 54.41 1azb s PHE 97 Cb -0.10 -0.48 -0.01 0.00 -1.21 0.00 0.00 43.02 41.22 1azb s PHE 97 CO -0.01 -0.61 1.00 -0.51 -1.34 0.00 0.00 175.22 173.75 1azb s ASP 98 N -3.10 7.25 0.52 1.98 1.11 -1.26 -1.43 116.67 121.74 1azb s ASP 98 Ca 0.32 1.53 0.17 0.00 0.18 0.00 0.00 52.55 54.75 1azb s ASP 98 Cb 0.07 -2.55 1.30 0.00 1.07 0.00 0.00 42.92 42.80 1azb s ASP 98 CO 0.07 -0.43 2.15 0.58 1.18 0.00 0.00 175.17 178.72 1azb h VAL 99 N 5.08 0.97 0.00 -1.27 2.07 -1.54 -1.43 116.25 120.13 1azb h VAL 99 Ca -0.31 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1azb h VAL 99 Cb 1.15 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1azb h VAL 99 CO 0.85 0.01 0.00 -1.54 0.02 0.00 0.00 177.57 176.91 1azb n SER 100 N -4.48 0.18 0.13 0.57 3.41 -1.26 -0.56 113.62 111.61 1azb n SER 100 Ca -0.03 0.56 0.13 0.00 -0.26 0.00 0.00 58.87 59.26 1azb n SER 100 Cb 0.10 -0.59 0.46 0.00 -0.26 0.00 0.00 64.21 63.92 1azb n SER 100 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1azb n LYS 101 N -1.72 0.24 -3.72 4.33 5.02 -0.54 -4.72 118.16 117.05 1azb n LYS 101 Ca 0.02 0.35 -0.26 0.00 -2.02 0.00 0.00 58.31 56.39 1azb n LYS 101 Cb 0.12 -1.87 -0.03 0.00 -0.02 0.00 0.00 35.03 33.23 1azb n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1azb s LEU 102 N -4.59 4.23 -0.13 -0.35 1.43 0.27 -5.07 118.68 114.46 1azb s LEU 102 Ca 0.07 0.34 0.03 0.00 -1.03 0.00 0.00 54.13 53.54 1azb s LEU 102 Cb 0.10 -3.12 0.01 0.00 0.03 0.00 0.00 46.19 43.21 1azb s LEU 102 CO 0.48 -0.06 -0.22 -0.89 0.23 0.00 0.00 176.35 175.89 1azb s THR 103 N -1.92 2.01 0.27 5.49 2.01 -1.26 -5.03 115.64 117.22 1azb s THR 103 Ca 0.38 -0.96 -0.30 0.00 0.31 0.00 0.00 61.69 61.12 1azb s THR 103 Cb -0.11 -1.77 -0.13 0.00 0.01 0.00 0.00 72.50 70.50 1azb s THR 103 CO 0.30 0.54 1.27 -2.65 -0.69 0.00 0.00 174.62 173.39 1azb n PRO 104 N 3.94 1.83 0.00 4.92 -0.02 -1.26 -1.68 135.00 142.73 1azb n PRO 104 Ca -0.20 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1azb n PRO 104 Cb 0.52 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1azb n PRO 104 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1azb n GLY 105 N 1.59 2.88 3.75 -1.23 0.00 -1.26 -5.03 105.19 105.90 1azb n GLY 105 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1azb n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1azb s GLU 106 N -0.13 4.81 -0.16 1.61 2.12 -0.68 -5.01 118.70 121.27 1azb s GLU 106 Ca 0.00 1.48 -0.16 0.00 0.36 0.00 0.00 54.97 56.64 1azb s GLU 106 Cb 0.00 -3.21 -0.04 0.00 0.26 0.00 0.00 34.13 31.14 1azb s GLU 106 CO 0.00 0.48 0.41 0.00 -0.54 0.00 0.00 175.26 175.61 1azb s ALA 107 N -1.24 3.53 0.26 6.30 0.00 -1.26 -4.46 121.76 124.89 1azb s ALA 107 Ca 0.42 -0.37 0.09 0.00 0.00 0.00 0.00 51.96 52.11 1azb s ALA 107 Cb -0.25 -2.59 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 1azb s ALA 107 CO 0.31 -0.09 0.07 0.71 0.00 0.00 0.00 175.76 176.75 1azb s TYR 108 N 0.85 2.84 -0.05 0.00 1.51 0.23 -4.12 117.35 118.61 1azb s TYR 108 Ca 0.21 -0.19 -0.00 0.00 -1.01 0.00 0.00 57.07 56.08 1azb s TYR 108 Cb -0.14 -1.27 -0.03 0.00 -0.11 0.00 0.00 41.96 40.40 1azb s TYR 108 CO 0.08 0.58 0.01 0.00 -1.11 0.00 0.00 175.55 175.11 1azb s ALA 109 N -2.26 3.31 0.06 3.71 0.00 -0.14 -0.76 121.76 125.67 1azb s ALA 109 Ca 0.32 -0.87 0.09 0.00 0.00 0.00 0.00 51.96 51.51 1azb s ALA 109 Cb -0.07 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.59 1azb s ALA 109 CO 0.22 0.62 -0.26 1.52 0.00 0.00 0.00 175.76 177.85 1azb s TYR 110 N -0.99 2.30 0.27 0.00 -0.85 -0.41 -1.72 117.35 115.95 1azb s TYR 110 Ca 0.16 -0.41 -0.21 0.00 -0.52 0.00 0.00 57.07 56.10 1azb s TYR 110 Cb -0.11 -1.36 0.02 0.00 0.38 0.00 0.00 41.96 40.89 1azb s TYR 110 CO 0.06 0.15 0.70 -0.59 -1.52 0.00 0.00 175.55 174.36 1azb s PHE 111 N -0.84 -0.20 -0.27 -3.49 -0.71 -0.61 -0.98 117.98 110.88 1azb s PHE 111 Ca 0.12 -0.24 -0.19 0.00 -1.04 0.00 0.00 56.93 55.58 1azb s PHE 111 Cb -0.10 0.68 -0.02 0.00 -1.21 0.00 0.00 43.02 42.37 1azb s PHE 111 CO 0.03 -1.20 0.57 0.00 -1.34 0.00 0.00 175.22 173.28 1azb n SER 113 N 5.65 2.10 -4.77 0.00 3.41 -1.26 -2.58 113.62 116.17 1azb n SER 113 Ca -0.03 -1.87 -0.41 0.00 -0.26 0.00 0.00 58.87 56.31 1azb n SER 113 Cb 0.49 -0.20 -0.01 0.00 -0.26 0.00 0.00 64.21 64.24 1azb n SER 113 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1azb s PHE 114 N -1.60 2.78 -0.39 7.33 2.19 -1.26 -4.37 117.98 122.65 1azb s PHE 114 Ca 0.31 1.25 -0.41 0.00 0.33 0.00 0.00 56.93 58.41 1azb s PHE 114 Cb 0.17 -3.89 -0.18 0.00 -1.31 0.00 0.00 43.02 37.81 1azb s PHE 114 CO 0.23 -2.57 1.36 -2.30 1.83 0.00 0.00 175.22 173.78 1azb n PRO 115 N 0.70 0.00 -0.70 10.12 -0.02 -1.26 -0.71 135.00 143.13 1azb n PRO 115 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 1azb n PRO 115 Cb 0.40 -1.33 0.00 0.00 -0.02 0.00 0.00 33.50 32.55 1azb n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1azb n GLY 116 N 3.30 0.98 0.16 -1.23 0.00 -1.26 -4.89 105.19 102.25 1azb n GLY 116 Ca 0.26 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.39 1azb n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1azb h HIS 117 N 0.00 0.00 -0.72 1.61 3.86 -1.13 -3.38 115.15 115.39 1azb h HIS 117 Ca 0.00 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.30 1azb h HIS 117 Cb 0.00 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.42 1azb h HIS 117 CO 0.00 0.07 0.47 0.11 0.86 0.00 0.00 177.93 179.44 1azb h TRP 118 N 0.00 0.66 0.00 2.45 5.08 -1.68 -0.61 115.95 121.85 1azb h TRP 118 Ca -0.01 0.02 -0.03 0.00 1.08 0.00 0.00 58.89 59.95 1azb h TRP 118 Cb 1.06 -0.22 -0.00 0.00 -3.00 0.00 0.00 29.16 27.00 1azb h TRP 118 CO 0.00 0.32 -0.13 0.00 -1.28 0.00 0.00 178.44 177.35 1azb h ALA 119 N 1.63 1.65 0.00 0.11 0.00 -1.90 -3.25 119.26 117.51 1azb h ALA 119 Ca 0.33 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.95 1azb h ALA 119 Cb 0.45 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1azb h ALA 119 CO -0.11 0.16 -1.72 -1.33 0.00 0.00 0.00 179.25 176.25 1azb n MET 120 N -4.19 1.90 -3.58 0.00 2.81 -0.77 -4.83 117.12 108.45 1azb n MET 120 Ca -0.02 -0.02 -0.40 0.00 -1.81 0.00 0.00 57.70 55.44 1azb n MET 120 Cb 0.21 -1.28 -0.07 0.00 -0.71 0.00 0.00 33.22 31.36 1azb n MET 120 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1azb s MET 121 N -2.36 2.91 -0.05 0.03 -1.94 -0.31 -4.79 119.30 112.79 1azb s MET 121 Ca -0.05 -2.49 -0.18 0.00 -1.71 0.00 0.00 55.69 51.26 1azb s MET 121 Cb 0.04 -3.97 0.04 0.00 2.01 0.00 0.00 34.83 32.94 1azb s MET 121 CO 0.46 -1.21 0.41 0.21 -0.01 0.00 0.00 175.02 174.87 1azb s LYS 122 N 0.05 0.72 0.29 2.03 2.36 -1.26 -1.97 119.74 121.97 1azb s LYS 122 Ca 0.17 0.04 -0.07 0.00 -2.55 0.00 0.00 55.97 53.57 1azb s LYS 122 Cb -0.17 0.33 0.03 0.00 -1.05 0.00 0.00 37.83 36.97 1azb s LYS 122 CO -0.05 -0.19 0.50 0.41 1.55 0.00 0.00 175.35 177.57 1azb n GLY 123 N 1.48 1.76 3.35 5.54 0.00 -0.16 -4.89 105.19 112.28 1azb n GLY 123 Ca -0.20 -1.38 -0.31 0.00 0.00 0.00 0.00 46.02 44.13 1azb n GLY 123 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1azb s THR 124 N -2.52 2.32 -0.00 2.61 2.01 -0.02 -1.29 115.64 118.75 1azb s THR 124 Ca 0.18 -1.01 0.06 0.00 0.31 0.00 0.00 61.69 61.23 1azb s THR 124 Cb -0.02 -1.83 -0.02 0.00 0.01 0.00 0.00 72.50 70.64 1azb s THR 124 CO 0.13 0.58 -0.20 -0.22 -0.69 0.00 0.00 174.62 174.22 1azb s LEU 125 N -0.64 2.06 0.30 4.42 0.20 0.06 -0.01 118.68 125.06 1azb s LEU 125 Ca 0.10 -0.38 -0.20 0.00 0.69 0.00 0.00 54.13 54.34 1azb s LEU 125 Cb -0.10 -1.00 0.04 0.00 -0.43 0.00 0.00 46.19 44.70 1azb s LEU 125 CO -0.01 0.22 0.78 -1.59 -0.29 0.00 0.00 176.35 175.47 1azb s LYS 126 N -0.59 1.85 0.44 1.98 -2.85 -0.89 0.76 119.74 120.43 1azb s LYS 126 Ca 0.07 -1.09 -0.22 0.00 -1.00 0.00 0.00 55.97 53.74 1azb s LYS 126 Cb -0.08 0.58 -0.10 0.00 -2.06 0.00 0.00 37.83 36.18 1azb s LYS 126 CO -0.00 -0.85 1.00 -0.51 0.10 0.00 0.00 175.35 175.08 1azb s LEU 127 N -2.99 3.97 0.99 2.77 1.43 -1.26 -1.01 118.68 122.58 1azb s LEU 127 Ca 0.13 1.85 -0.12 0.00 -1.03 0.00 0.00 54.13 54.96 1azb s LEU 127 Cb -0.05 -4.45 0.15 0.00 0.03 0.00 0.00 46.19 41.87 1azb s LEU 127 CO 0.08 -0.52 0.90 -1.54 0.23 0.00 0.00 176.35 175.50 1azb n SER 128 N -0.58 -0.72 0.00 2.29 3.41 0.21 -4.79 113.62 113.45 1azb n SER 128 Ca 0.07 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 1azb n SER 128 Cb 0.52 -1.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.12 1azb n SER 128 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42