#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2azu n GLN 2 N 0.00 0.00 -1.11 0.00 0.00 -1.26 -5.01 117.38 110.00 2azu n GLN 2 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 57.00 56.84 2azu n GLN 2 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 30.24 30.40 2azu n GLN 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2azu s SER 4 N -2.16 -0.24 -0.04 0.00 1.04 -1.26 -1.39 113.70 109.65 2azu s SER 4 Ca 0.52 -0.25 -0.04 0.00 0.48 0.00 0.00 55.95 56.65 2azu s SER 4 Cb 0.44 0.46 0.01 0.00 0.10 0.00 0.00 66.02 67.04 2azu s SER 4 CO 0.03 -0.81 0.11 0.54 0.98 0.00 0.00 173.24 174.09 2azu s VAL 5 N -3.53 0.00 -0.18 5.02 0.11 -0.54 -4.83 120.40 116.45 2azu s VAL 5 Ca 0.01 -0.02 -0.09 0.00 -2.93 0.00 0.00 61.98 58.96 2azu s VAL 5 Cb 0.01 -0.17 -0.05 0.00 -1.53 0.00 0.00 36.38 34.65 2azu s VAL 5 CO -0.10 -0.01 0.12 -1.81 -3.33 0.00 0.00 175.10 169.97 2azu s ASP 6 N 0.02 6.12 0.02 3.54 1.01 -1.26 -0.83 116.67 125.29 2azu s ASP 6 Ca -0.00 0.25 -0.01 0.00 0.71 0.00 0.00 52.55 53.50 2azu s ASP 6 Cb -0.01 -2.04 -0.02 0.00 1.01 0.00 0.00 42.92 41.86 2azu s ASP 6 CO 0.00 0.24 -0.01 -0.51 0.21 0.00 0.00 175.17 175.10 2azu s ILE 7 N 0.01 0.12 0.05 0.77 2.07 0.09 -4.94 121.20 119.37 2azu s ILE 7 Ca 0.09 -1.03 0.00 0.00 -1.41 0.00 0.00 60.65 58.30 2azu s ILE 7 Cb -0.11 -0.48 -0.03 0.00 0.13 0.00 0.00 42.46 41.97 2azu s ILE 7 CO -0.00 -0.57 -0.04 0.00 -1.91 0.00 0.00 174.94 172.42 2azu s GLN 8 N -1.85 0.54 0.06 3.50 -2.07 -1.26 -1.60 119.66 116.98 2azu s GLN 8 Ca -0.12 -1.01 0.09 0.00 -1.82 0.00 0.00 55.36 52.50 2azu s GLN 8 Cb -0.07 0.07 -0.03 0.00 -1.09 0.00 0.00 33.01 31.89 2azu s GLN 8 CO -0.02 -0.06 -0.25 0.20 -1.32 0.00 0.00 175.29 173.84 2azu s GLY 9 N -2.36 1.35 0.34 2.60 0.00 -1.22 -0.88 107.32 107.15 2azu s GLY 9 Ca -0.01 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 43.48 2azu s GLY 9 CO -0.05 -1.15 0.01 1.16 0.00 0.00 0.00 173.10 173.07 2azu n ASN 10 N 1.68 2.76 0.00 1.64 0.23 -0.65 -4.11 115.26 116.81 2azu n ASN 10 Ca -0.17 -2.52 0.12 0.00 -0.53 0.00 0.00 54.58 51.48 2azu n ASN 10 Cb 0.52 0.29 0.69 0.00 -2.08 0.00 0.00 39.78 39.20 2azu n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2azu n ASP 11 N -1.26 0.00 -1.45 0.53 8.00 -1.26 -2.73 116.55 118.38 2azu n ASP 11 Ca -0.13 -0.63 -0.01 0.00 0.71 0.00 0.00 54.79 54.73 2azu n ASP 11 Cb 0.44 -0.05 0.27 0.00 -0.02 0.00 0.00 41.12 41.76 2azu n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2azu n GLN 12 N -1.05 3.04 -3.59 -1.24 6.02 -1.26 -4.94 117.38 114.36 2azu n GLN 12 Ca 0.17 -3.03 -0.21 0.00 -0.01 0.00 0.00 57.00 53.92 2azu n GLN 12 Cb 0.10 -2.01 0.06 0.00 1.02 0.00 0.00 30.24 29.42 2azu n GLN 12 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 2azu n MET 13 N -0.50 -6.28 -4.11 -1.09 0.00 -1.10 -5.01 117.12 99.02 2azu n MET 13 Ca 0.33 0.75 -0.15 0.00 0.00 0.00 0.00 57.70 58.64 2azu n MET 13 Cb 1.15 -5.64 -0.13 0.00 0.00 0.00 0.00 33.22 28.60 2azu n MET 13 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 2azu s GLN 14 N -5.85 0.44 0.37 2.12 -0.21 -1.26 -4.26 119.66 111.01 2azu s GLN 14 Ca 0.18 -0.38 -0.07 0.00 0.02 0.00 0.00 55.36 55.11 2azu s GLN 14 Cb -0.09 -0.35 -0.05 0.00 1.00 0.00 0.00 33.01 33.53 2azu s GLN 14 CO 0.76 0.08 0.67 -0.06 -2.12 0.00 0.00 175.29 174.63 2azu s PHE 15 N -0.57 3.49 -2.02 0.91 0.08 -1.26 -1.63 117.98 116.97 2azu s PHE 15 Ca -0.02 0.80 0.08 0.00 0.12 0.00 0.00 56.93 57.91 2azu s PHE 15 Cb -0.05 -2.25 0.38 0.00 -0.57 0.00 0.00 43.02 40.53 2azu s PHE 15 CO -0.00 -0.01 1.26 0.27 -0.10 0.00 0.00 175.22 176.64 2azu n ASN 16 N -1.34 0.48 -3.62 1.36 6.94 -0.06 -4.74 115.26 114.29 2azu n ASN 16 Ca 0.00 -1.84 -0.15 0.00 -0.02 0.00 0.00 54.58 52.57 2azu n ASN 16 Cb 0.54 -0.05 -0.07 0.00 -2.36 0.00 0.00 39.78 37.84 2azu n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2azu s THR 17 N -1.90 0.00 -0.24 5.53 -1.32 -1.26 -4.99 115.64 111.47 2azu s THR 17 Ca 0.13 -0.03 0.12 0.00 -1.21 0.00 0.00 61.69 60.71 2azu s THR 17 Cb 0.07 -0.92 0.27 0.00 -1.51 0.00 0.00 72.50 70.40 2azu s THR 17 CO 0.10 -0.02 1.19 0.59 -2.21 0.00 0.00 174.62 174.28 2azu n ASN 18 N 2.07 2.70 -3.70 8.08 4.13 -1.26 -4.82 115.26 122.46 2azu n ASN 18 Ca -0.16 -2.61 -0.11 0.00 1.68 0.00 0.00 54.58 53.38 2azu n ASN 18 Cb 0.56 -0.31 -0.11 0.00 -1.54 0.00 0.00 39.78 38.38 2azu n ASN 18 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2azu s ALA 19 N -2.07 -1.03 -0.02 5.41 0.00 -1.26 -1.31 121.76 121.48 2azu s ALA 19 Ca 0.24 1.48 0.03 0.00 0.00 0.00 0.00 51.96 53.72 2azu s ALA 19 Cb 0.19 -0.90 -0.01 0.00 0.00 0.00 0.00 23.12 22.41 2azu s ALA 19 CO 0.06 -0.26 -0.11 0.42 0.00 0.00 0.00 175.76 175.87 2azu s ILE 20 N 1.29 0.91 -0.12 0.00 1.01 0.68 -4.93 121.20 120.05 2azu s ILE 20 Ca -0.09 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 60.11 2azu s ILE 20 Cb -0.08 -0.78 -0.00 0.00 0.01 0.00 0.00 42.46 41.61 2azu s ILE 20 CO -0.11 0.27 -0.19 -0.89 0.00 0.00 0.00 174.94 174.01 2azu s THR 21 N -0.13 2.42 -0.21 2.92 2.01 -1.26 -1.12 115.64 120.27 2azu s THR 21 Ca 0.02 -0.88 -0.06 0.00 0.31 0.00 0.00 61.69 61.08 2azu s THR 21 Cb -0.06 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.45 2azu s THR 21 CO -0.00 0.54 0.04 -0.69 -0.69 0.00 0.00 174.62 173.82 2azu s VAL 22 N 0.47 4.27 0.22 3.82 1.01 0.45 -4.21 120.40 126.44 2azu s VAL 22 Ca -0.13 -0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.35 2azu s VAL 22 Cb -0.17 -2.95 -0.09 0.00 0.00 0.00 0.00 36.38 33.18 2azu s VAL 22 CO 0.05 0.41 1.23 -0.62 0.00 0.00 0.00 175.10 176.17 2azu s ASP 23 N 1.01 7.02 0.63 3.32 -1.08 -1.25 -1.29 116.67 125.03 2azu s ASP 23 Ca 0.03 2.34 0.37 0.00 -0.52 0.00 0.00 52.55 54.77 2azu s ASP 23 Cb -0.14 -2.62 2.11 0.00 -1.46 0.00 0.00 42.92 40.81 2azu s ASP 23 CO 0.02 -0.40 2.30 0.11 0.52 0.00 0.00 175.17 177.72 2azu h LYS 24 N 4.85 0.00 0.00 4.34 1.57 -1.51 -2.06 116.57 123.76 2azu h LYS 24 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2azu h LYS 24 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2azu h LYS 24 CO 0.73 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 180.27 2azu h SER 25 N 0.00 0.00 -3.19 0.86 4.64 -1.91 -3.44 113.55 110.51 2azu h SER 25 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.80 2azu h SER 25 Cb 0.05 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.16 2azu h SER 25 CO -0.00 0.00 0.67 0.00 -0.87 0.00 0.00 176.83 176.63 2azu h LYS 27 N 6.19 0.42 -5.06 0.00 1.57 -1.88 -3.42 116.57 114.39 2azu h LYS 27 Ca -0.43 -0.71 -0.35 0.00 -1.87 0.00 0.00 60.65 57.28 2azu h LYS 27 Cb 1.21 0.27 -0.14 0.00 0.08 0.00 0.00 32.23 33.64 2azu h LYS 27 CO 0.82 1.32 -0.68 -0.65 -0.57 0.00 0.00 179.45 179.69 2azu s GLN 28 N -2.60 1.21 -0.01 3.15 -0.21 -1.26 -1.51 119.66 118.43 2azu s GLN 28 Ca -0.11 -1.58 -0.00 0.00 0.02 0.00 0.00 55.36 53.69 2azu s GLN 28 Cb 0.05 -0.59 0.02 0.00 1.00 0.00 0.00 33.01 33.49 2azu s GLN 28 CO 0.89 -0.03 0.02 0.12 -2.12 0.00 0.00 175.29 174.17 2azu s PHE 29 N -3.40 0.01 -0.08 0.91 5.36 0.00 -4.78 117.98 116.00 2azu s PHE 29 Ca 0.24 0.09 0.01 0.00 -0.96 0.00 0.00 56.93 56.30 2azu s PHE 29 Cb 0.04 -0.14 -0.02 0.00 -0.34 0.00 0.00 43.02 42.56 2azu s PHE 29 CO 0.05 -0.06 -0.11 0.99 -1.46 0.00 0.00 175.22 174.64 2azu s THR 30 N 0.65 3.35 -0.13 0.12 2.01 -0.48 -1.13 115.64 120.02 2azu s THR 30 Ca -0.05 -0.60 0.02 0.00 0.31 0.00 0.00 61.69 61.37 2azu s THR 30 Cb -0.08 -2.37 -0.00 0.00 0.01 0.00 0.00 72.50 70.06 2azu s THR 30 CO -0.02 0.57 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.60 2azu s VAL 31 N -0.39 2.48 -0.18 3.82 1.01 -0.13 -1.47 120.40 125.54 2azu s VAL 31 Ca 0.05 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 2azu s VAL 31 Cb -0.12 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 2azu s VAL 31 CO 0.02 0.54 -0.07 0.20 0.00 0.00 0.00 175.10 175.79 2azu s ASN 32 N 0.52 4.28 -0.14 3.32 0.01 -0.01 -1.46 114.94 121.46 2azu s ASN 32 Ca -0.12 -0.33 0.01 0.00 -0.71 0.00 0.00 52.86 51.70 2azu s ASN 32 Cb -0.16 -1.71 -0.01 0.00 0.41 0.00 0.00 41.25 39.78 2azu s ASN 32 CO 0.05 0.06 -0.15 -0.22 -1.51 0.00 0.00 177.10 175.33 2azu s LEU 33 N 0.97 2.51 0.04 0.60 2.96 0.32 -0.73 118.68 125.35 2azu s LEU 33 Ca -0.01 -0.44 0.08 0.00 -0.22 0.00 0.00 54.13 53.55 2azu s LEU 33 Cb -0.15 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 2azu s LEU 33 CO 0.00 0.12 -0.23 -0.94 -1.32 0.00 0.00 176.35 173.98 2azu s SER 34 N 0.63 2.74 -0.45 3.68 1.04 -0.63 -1.08 113.70 119.63 2azu s SER 34 Ca -0.08 -0.55 -0.01 0.00 0.48 0.00 0.00 55.95 55.79 2azu s SER 34 Cb -0.16 -0.24 0.12 0.00 0.10 0.00 0.00 66.02 65.84 2azu s SER 34 CO 0.03 0.20 0.23 -0.76 0.98 0.00 0.00 173.24 173.92 2azu s LEU 35 N -1.19 5.08 0.24 2.42 1.02 -0.51 -3.37 118.68 122.37 2azu s LEU 35 Ca 0.09 -2.31 0.26 0.00 0.02 0.00 0.00 54.13 52.19 2azu s LEU 35 Cb -0.09 -1.78 0.81 0.00 0.02 0.00 0.00 46.19 45.15 2azu s LEU 35 CO 0.02 -0.45 1.76 1.55 0.02 0.00 0.00 176.35 179.25 2azu h PRO 36 N 7.63 0.00 0.00 1.29 0.13 -1.88 0.32 132.00 139.49 2azu h PRO 36 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 2azu h PRO 36 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2azu h PRO 36 CO 0.67 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.85 2azu n GLY 37 N 1.10 -1.24 0.00 1.56 0.00 -1.26 -4.71 105.19 100.63 2azu n GLY 37 Ca 0.05 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.60 2azu n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2azu n ASN 38 N 0.00 1.75 -4.80 1.61 3.02 -1.26 -4.10 115.26 111.48 2azu n ASN 38 Ca 0.00 -0.21 -0.35 0.00 -0.03 0.00 0.00 54.58 53.99 2azu n ASN 38 Cb 0.00 0.76 -0.06 0.00 -0.61 0.00 0.00 39.78 39.88 2azu n ASN 38 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2azu s LEU 39 N -1.88 4.10 0.70 3.41 1.43 -1.26 -4.85 118.68 120.33 2azu s LEU 39 Ca 0.00 1.85 -0.11 0.00 -1.03 0.00 0.00 54.13 54.85 2azu s LEU 39 Cb 0.00 -4.29 0.01 0.00 0.03 0.00 0.00 46.19 41.94 2azu s LEU 39 CO 0.00 -0.36 1.06 -2.16 0.23 0.00 0.00 176.35 175.12 2azu s PRO 40 N -2.67 2.92 0.22 1.29 0.04 -1.26 -2.99 135.00 132.54 2azu s PRO 40 Ca 0.58 0.85 -0.15 0.00 0.04 0.00 0.00 61.00 62.33 2azu s PRO 40 Cb -0.16 -2.00 0.25 0.00 0.04 0.00 0.00 34.50 32.64 2azu s PRO 40 CO 0.21 -1.08 1.60 -0.22 0.04 0.00 0.00 177.00 177.54 2azu h LYS 41 N -0.70 -0.04 0.00 4.56 3.64 -1.86 0.46 116.57 122.63 2azu h LYS 41 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 2azu h LYS 41 Cb 1.22 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2azu h LYS 41 CO 0.58 -0.03 0.00 0.27 -2.27 0.00 0.00 179.45 178.00 2azu n ASN 42 N -5.48 0.33 -0.11 4.20 0.23 -1.26 0.41 115.26 113.58 2azu n ASN 42 Ca 0.09 0.59 -0.18 0.00 -0.53 0.00 0.00 54.58 54.54 2azu n ASN 42 Cb 0.38 -0.65 -0.10 0.00 -2.08 0.00 0.00 39.78 37.32 2azu n ASN 42 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 2azu n VAL 43 N -1.87 1.30 -2.71 3.53 0.31 -0.21 -4.82 118.33 113.85 2azu n VAL 43 Ca 0.03 -0.46 -0.00 0.00 -0.01 0.00 0.00 64.34 63.89 2azu n VAL 43 Cb 0.19 -1.42 0.06 0.00 -0.91 0.00 0.00 33.84 31.76 2azu n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 2azu n MET 44 N -3.37 1.35 -1.40 5.55 1.56 -0.02 -5.02 117.12 115.78 2azu n MET 44 Ca -0.42 -2.60 -0.33 0.00 -0.27 0.00 0.00 57.70 54.09 2azu n MET 44 Cb 0.90 -0.77 0.09 0.00 2.15 0.00 0.00 33.22 35.59 2azu n MET 44 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 2azu s GLY 45 N -2.74 2.05 0.04 -5.12 0.00 0.17 -4.76 107.32 96.94 2azu s GLY 45 Ca 0.22 0.60 -0.02 0.00 0.00 0.00 0.00 44.72 45.51 2azu s GLY 45 CO -0.08 0.98 0.02 0.30 0.00 0.00 0.00 173.10 174.32 2azu s HIS 46 N -2.39 0.32 0.23 1.90 3.76 -0.29 -4.75 115.29 114.07 2azu s HIS 46 Ca 0.68 -0.69 0.01 0.00 -0.15 0.00 0.00 55.06 54.91 2azu s HIS 46 Cb -0.23 -0.23 -0.04 0.00 1.11 0.00 0.00 32.58 33.19 2azu s HIS 46 CO 0.48 -0.31 0.14 0.54 -0.85 0.00 0.00 174.74 174.74 2azu s ASN 47 N -2.15 0.58 -0.13 1.40 2.20 -1.26 -0.97 114.94 114.60 2azu s ASN 47 Ca -0.05 -1.44 0.02 0.00 -0.94 0.00 0.00 52.86 50.45 2azu s ASN 47 Cb -0.01 0.37 0.01 0.00 -2.00 0.00 0.00 41.25 39.62 2azu s ASN 47 CO -0.05 -0.85 -0.20 0.86 -2.94 0.00 0.00 177.10 173.92 2azu s TRP 48 N -3.98 2.51 -0.03 1.54 -0.00 -1.26 -4.13 118.94 113.58 2azu s TRP 48 Ca 0.39 -1.26 0.03 0.00 -0.00 0.00 0.00 56.10 55.25 2azu s TRP 48 Cb 0.06 -1.73 0.00 0.00 -0.00 0.00 0.00 33.47 31.81 2azu s TRP 48 CO 0.14 -0.59 -0.10 0.08 -0.00 0.00 0.00 176.95 176.49 2azu s VAL 49 N 0.88 0.83 -0.11 5.86 1.01 -0.29 -1.35 120.40 127.22 2azu s VAL 49 Ca -0.06 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.54 2azu s VAL 49 Cb -0.15 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 2azu s VAL 49 CO -0.02 0.26 -0.14 -0.22 0.00 0.00 0.00 175.10 174.98 2azu s LEU 50 N 0.21 2.70 0.00 3.92 2.96 -0.22 -1.04 118.68 127.21 2azu s LEU 50 Ca -0.04 -0.31 -0.06 0.00 -0.22 0.00 0.00 54.13 53.50 2azu s LEU 50 Cb -0.09 -1.59 0.03 0.00 0.50 0.00 0.00 46.19 45.04 2azu s LEU 50 CO 0.01 0.21 0.58 -1.54 -1.32 0.00 0.00 176.35 174.28 2azu n SER 51 N 3.24 -1.64 -4.82 3.68 3.41 -0.85 -0.98 113.62 115.66 2azu n SER 51 Ca -0.18 -2.70 -0.32 0.00 -0.26 0.00 0.00 58.87 55.41 2azu n SER 51 Cb 0.53 2.90 0.02 0.00 -0.26 0.00 0.00 64.21 67.40 2azu n SER 51 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2azu s THR 52 N -2.55 4.12 0.38 6.66 -4.23 -1.26 -1.23 115.64 117.52 2azu s THR 52 Ca 0.23 0.83 0.09 0.00 -1.18 0.00 0.00 61.69 61.66 2azu s THR 52 Cb -0.02 -3.50 0.31 0.00 1.34 0.00 0.00 72.50 70.63 2azu s THR 52 CO 0.17 -0.76 1.93 0.00 -0.54 0.00 0.00 174.62 175.42 2azu h ALA 53 N -0.06 1.84 -0.03 3.99 0.00 -1.38 -1.24 119.26 122.37 2azu h ALA 53 Ca -0.45 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 2azu h ALA 53 Cb 1.21 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2azu h ALA 53 CO 0.58 -0.00 -0.36 0.00 0.00 0.00 0.00 179.25 179.47 2azu h ALA 54 N 1.62 1.34 -0.00 0.00 0.00 -1.92 -3.01 119.26 117.28 2azu h ALA 54 Ca 0.36 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2azu h ALA 54 Cb 0.51 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2azu h ALA 54 CO -0.13 0.48 -0.38 -0.25 0.00 0.00 0.00 179.25 178.97 2azu n ASP 55 N -4.09 0.74 0.08 0.00 8.00 -0.50 -4.51 116.55 116.26 2azu n ASP 55 Ca -0.02 -0.55 -0.12 0.00 0.71 0.00 0.00 54.79 54.81 2azu n ASP 55 Cb 0.41 0.20 -0.05 0.00 -0.02 0.00 0.00 41.12 41.66 2azu n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 2azu h MET 56 N 0.56 -0.28 -0.81 -1.24 4.05 -1.34 -1.62 114.93 114.25 2azu h MET 56 Ca 0.00 0.02 0.09 0.00 -0.28 0.00 0.00 59.70 59.53 2azu h MET 56 Cb 0.50 0.06 -0.07 0.00 -0.80 0.00 0.00 31.60 31.30 2azu h MET 56 CO 0.00 -0.19 0.46 0.37 0.23 0.00 0.00 176.91 177.78 2azu h GLN 57 N -0.29 0.76 -0.35 0.39 5.75 -1.79 -0.06 115.11 119.52 2azu h GLN 57 Ca 0.04 -0.05 -0.08 0.00 -0.15 0.00 0.00 58.65 58.41 2azu h GLN 57 Cb 0.34 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.70 2azu h GLN 57 CO -0.12 0.50 -0.09 0.78 -2.65 0.00 0.00 178.83 177.25 2azu h GLY 58 N 0.79 0.74 0.95 2.39 0.00 -1.73 -0.71 103.07 105.50 2azu h GLY 58 Ca 0.38 -0.62 0.01 0.00 0.00 0.00 0.00 47.33 47.10 2azu h GLY 58 CO -0.24 0.57 0.05 -2.08 0.00 0.00 0.00 176.54 174.84 2azu h VAL 59 N 0.48 1.00 0.04 4.60 2.07 -0.85 -1.14 116.25 122.43 2azu h VAL 59 Ca 0.09 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.58 2azu h VAL 59 Cb 0.60 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 2azu h VAL 59 CO 0.04 0.02 -0.06 0.58 0.02 0.00 0.00 177.57 178.17 2azu h VAL 60 N 0.11 0.86 0.08 2.57 2.07 -0.88 0.51 116.25 121.57 2azu h VAL 60 Ca 0.04 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.57 2azu h VAL 60 Cb 0.01 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2azu h VAL 60 CO -0.03 0.00 -0.10 0.74 0.02 0.00 0.00 177.57 178.20 2azu h THR 61 N -0.12 0.78 0.00 2.57 2.02 -1.04 -1.12 112.91 115.99 2azu h THR 61 Ca 0.01 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.09 2azu h THR 61 Cb 0.13 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 2azu h THR 61 CO -0.03 0.00 -0.47 0.44 0.37 0.00 0.00 175.52 175.82 2azu h ASP 62 N -0.20 0.00 0.03 4.18 3.32 -1.19 -1.30 116.42 121.26 2azu h ASP 62 Ca 0.01 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 2azu h ASP 62 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 2azu h ASP 62 CO -0.04 0.47 -0.01 1.23 -1.72 0.00 0.00 179.24 179.17 2azu h GLY 63 N 1.53 -0.04 0.71 2.75 0.00 -0.66 -2.22 103.07 105.14 2azu h GLY 63 Ca -0.00 0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.36 2azu h GLY 63 CO 0.06 -0.02 -0.10 -0.33 0.00 0.00 0.00 176.54 176.15 2azu h MET 64 N -0.15 -0.16 -0.07 4.80 2.86 -0.98 -1.06 114.93 120.16 2azu h MET 64 Ca -0.00 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.67 2azu h MET 64 Cb 0.14 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 2azu h MET 64 CO 0.01 -0.11 0.13 0.00 1.06 0.00 0.00 176.91 177.99 2azu h ALA 65 N 0.82 1.47 0.00 6.32 0.00 -1.13 -2.52 119.26 124.23 2azu h ALA 65 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2azu h ALA 65 Cb 0.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2azu h ALA 65 CO -0.12 -0.16 0.00 0.77 0.00 0.00 0.00 179.25 179.74 2azu h SER 66 N 0.00 0.00 -4.30 0.00 0.02 -0.55 -3.50 113.55 105.23 2azu h SER 66 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2azu h SER 66 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 2azu h SER 66 CO -0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 2azu n GLY 67 N 1.14 -0.95 0.31 -3.77 0.00 -0.95 -4.20 105.19 96.76 2azu n GLY 67 Ca 0.04 -1.65 -0.05 0.00 0.00 0.00 0.00 46.02 44.36 2azu n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2azu h LEU 68 N 0.00 0.90 -2.67 0.99 5.85 -1.92 -0.98 115.31 117.48 2azu h LEU 68 Ca 0.00 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 2azu h LEU 68 Cb 0.00 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.79 2azu h LEU 68 CO 0.00 0.89 -0.00 0.44 -0.34 0.00 0.00 178.44 179.43 2azu h ASP 69 N 0.90 0.00 -0.56 1.25 3.32 -2.02 -0.71 116.42 118.61 2azu h ASP 69 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 2azu h ASP 69 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 2azu h ASP 69 CO 0.01 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.82 2azu n LYS 70 N -3.49 4.10 -2.55 3.56 4.76 -0.89 -4.92 118.16 118.72 2azu n LYS 70 Ca -0.03 -2.97 -0.19 0.00 -2.87 0.00 0.00 58.31 52.25 2azu n LYS 70 Cb 0.08 -2.02 -0.00 0.00 -1.84 0.00 0.00 35.03 31.25 2azu n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2azu n ASP 71 N 0.68 -5.34 -4.04 4.39 8.00 -0.27 -1.76 116.55 118.21 2azu n ASP 71 Ca 0.26 -0.02 -0.29 0.00 0.71 0.00 0.00 54.79 55.45 2azu n ASP 71 Cb 1.01 -4.44 -0.02 0.00 -0.02 0.00 0.00 41.12 37.64 2azu n ASP 71 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2azu n TYR 72 N -3.93 -1.70 -3.77 1.24 4.01 -0.42 -4.66 117.16 107.93 2azu n TYR 72 Ca -0.19 0.77 -0.13 0.00 -0.16 0.00 0.00 57.90 58.19 2azu n TYR 72 Cb 0.65 -3.50 -0.13 0.00 -0.31 0.00 0.00 39.34 36.05 2azu n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2azu s LEU 73 N -7.08 0.94 0.15 7.72 1.43 -0.72 -4.11 118.68 117.01 2azu s LEU 73 Ca 0.25 0.41 -0.31 0.00 -1.03 0.00 0.00 54.13 53.44 2azu s LEU 73 Cb -0.13 0.63 -0.10 0.00 0.03 0.00 0.00 46.19 46.61 2azu s LEU 73 CO 0.90 -0.11 1.59 -0.75 0.23 0.00 0.00 176.35 178.21 2azu s LYS 74 N 0.60 4.21 0.29 1.70 2.20 -1.26 -4.83 119.74 122.64 2azu s LYS 74 Ca -0.04 2.37 -0.30 0.00 -0.36 0.00 0.00 55.97 57.64 2azu s LYS 74 Cb -0.06 -3.22 -0.11 0.00 -1.51 0.00 0.00 37.83 32.93 2azu s LYS 74 CO -0.03 -0.64 1.60 -2.14 -0.36 0.00 0.00 175.35 173.78 2azu s PRO 75 N 1.39 4.13 -1.46 4.03 0.02 -1.26 -2.71 135.00 139.13 2azu s PRO 75 Ca 0.71 2.57 -0.10 0.00 0.02 0.00 0.00 61.00 64.20 2azu s PRO 75 Cb -0.44 -3.03 0.05 0.00 0.02 0.00 0.00 34.50 31.11 2azu s PRO 75 CO 0.31 -0.63 0.84 -0.25 -0.33 0.00 0.00 177.00 176.94 2azu n ASP 76 N 2.29 -5.23 -4.63 2.53 8.00 -1.26 -4.89 116.55 113.35 2azu n ASP 76 Ca 0.09 -0.54 -0.43 0.00 0.71 0.00 0.00 54.79 54.62 2azu n ASP 76 Cb 0.37 -4.20 -0.03 0.00 -0.02 0.00 0.00 41.12 37.25 2azu n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2azu s ASP 77 N -3.05 6.25 0.54 -2.24 -1.08 -1.10 -4.86 116.67 111.14 2azu s ASP 77 Ca 0.52 1.81 0.34 0.00 -0.52 0.00 0.00 52.55 54.70 2azu s ASP 77 Cb -0.25 -2.53 1.49 0.00 -1.46 0.00 0.00 42.92 40.17 2azu s ASP 77 CO 0.64 -1.33 2.02 0.77 0.52 0.00 0.00 175.17 177.79 2azu h SER 78 N 11.33 0.00 1.05 -0.34 4.64 -1.93 -2.46 113.55 125.85 2azu h SER 78 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2azu h SER 78 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2azu h SER 78 CO 0.99 0.00 0.00 0.03 -0.87 0.00 0.00 176.83 176.98 2azu h ARG 79 N 0.00 0.00 -5.43 4.77 3.08 -1.98 -3.43 114.38 111.38 2azu h ARG 79 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 2azu h ARG 79 Cb 0.42 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.34 2azu h ARG 79 CO 0.00 0.00 0.09 0.08 -1.07 0.00 0.00 179.97 179.07 2azu s VAL 80 N -3.30 4.96 0.04 2.04 1.01 -0.93 -4.51 120.40 119.71 2azu s VAL 80 Ca 0.06 0.73 -0.17 0.00 0.00 0.00 0.00 61.98 62.60 2azu s VAL 80 Cb 0.10 -3.98 -0.23 0.00 0.00 0.00 0.00 36.38 32.27 2azu s VAL 80 CO 0.49 -0.14 1.14 0.40 0.00 0.00 0.00 175.10 176.98 2azu h ILE 81 N 5.55 1.36 -2.43 2.22 2.04 -1.35 -3.48 117.51 121.43 2azu h ILE 81 Ca -0.27 -2.15 -0.05 0.00 1.00 0.00 0.00 64.86 63.39 2azu h ILE 81 Cb 1.12 2.49 -0.17 0.00 -0.74 0.00 0.00 36.82 39.52 2azu h ILE 81 CO 0.79 0.64 0.17 0.00 0.00 0.00 0.00 178.15 179.75 2azu s ALA 82 N -3.27 -1.64 0.06 1.87 0.00 -1.24 -5.01 121.76 112.53 2azu s ALA 82 Ca -0.12 0.95 -0.27 0.00 0.00 0.00 0.00 51.96 52.53 2azu s ALA 82 Cb 0.05 0.32 0.07 0.00 0.00 0.00 0.00 23.12 23.57 2azu s ALA 82 CO 0.87 -0.51 0.66 -3.38 0.00 0.00 0.00 175.76 173.40 2azu s HIS 83 N -2.14 -0.56 0.68 0.00 -3.43 -1.26 -1.06 115.29 107.52 2azu s HIS 83 Ca -0.07 0.62 0.04 0.00 -0.80 0.00 0.00 55.06 54.86 2azu s HIS 83 Cb -0.00 0.50 0.13 0.00 -1.43 0.00 0.00 32.58 31.77 2azu s HIS 83 CO 0.01 -0.72 0.94 0.25 -2.00 0.00 0.00 174.74 173.22 2azu n THR 84 N 0.14 0.00 -1.66 -5.38 -2.24 -0.46 -4.87 114.28 99.81 2azu n THR 84 Ca -0.17 -1.75 -0.31 0.00 -2.27 0.00 0.00 64.05 59.55 2azu n THR 84 Cb 0.62 -0.73 0.05 0.00 -2.10 0.00 0.00 70.33 68.17 2azu n THR 84 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2azu s LYS 85 N -4.97 2.78 -0.23 -0.78 1.02 -1.26 -4.72 119.74 111.58 2azu s LYS 85 Ca 0.65 0.75 -0.22 0.00 0.02 0.00 0.00 55.97 57.17 2azu s LYS 85 Cb -0.04 -1.99 -0.02 0.00 -0.52 0.00 0.00 37.83 35.26 2azu s LYS 85 CO 0.43 -1.16 0.70 -1.17 -0.92 0.00 0.00 175.35 173.23 2azu s LEU 86 N -5.53 4.10 0.39 3.17 2.96 -1.26 -4.42 118.68 118.10 2azu s LEU 86 Ca 0.58 0.88 0.06 0.00 -0.22 0.00 0.00 54.13 55.43 2azu s LEU 86 Cb -0.13 -2.99 -0.07 0.00 0.50 0.00 0.00 46.19 43.49 2azu s LEU 86 CO 0.54 -0.38 0.02 0.27 -1.32 0.00 0.00 176.35 175.48 2azu s ILE 87 N 2.39 1.72 0.49 6.68 -4.36 -0.15 -4.90 121.20 123.06 2azu s ILE 87 Ca 0.30 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.71 2azu s ILE 87 Cb -0.16 -2.89 -0.01 0.00 1.25 0.00 0.00 42.46 40.65 2azu s ILE 87 CO 0.09 0.00 0.05 -0.83 0.24 0.00 0.00 174.94 174.49 2azu s GLY 88 N -3.66 2.95 0.10 6.27 0.00 -1.26 -1.13 107.32 110.59 2azu s GLY 88 Ca 0.34 -0.51 -0.36 0.00 0.00 0.00 0.00 44.72 44.19 2azu s GLY 88 CO 0.17 -2.08 1.24 -1.14 0.00 0.00 0.00 173.10 171.29 2azu n SER 89 N -1.34 1.26 0.00 1.64 3.41 -1.16 -1.59 113.62 115.84 2azu n SER 89 Ca -0.16 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.58 2azu n SER 89 Cb 0.66 -1.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 2azu n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2azu n GLY 90 N 2.24 0.83 3.96 5.00 0.00 0.11 -4.99 105.19 112.35 2azu n GLY 90 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 2azu n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2azu s GLU 91 N -0.21 2.88 0.08 1.61 2.02 -0.62 -4.89 118.70 119.56 2azu s GLU 91 Ca 0.00 -1.21 -0.05 0.00 0.02 0.00 0.00 54.97 53.73 2azu s GLU 91 Cb 0.00 -2.69 -0.02 0.00 0.10 0.00 0.00 34.13 31.52 2azu s GLU 91 CO 0.00 -0.09 0.09 -1.59 0.02 0.00 0.00 175.26 173.70 2azu s LYS 92 N -4.20 0.77 0.13 1.61 -2.85 -1.26 -1.43 119.74 112.51 2azu s LYS 92 Ca 0.48 -1.12 -0.12 0.00 -1.00 0.00 0.00 55.97 54.22 2azu s LYS 92 Cb -0.08 0.28 0.01 0.00 -2.06 0.00 0.00 37.83 35.98 2azu s LYS 92 CO 0.31 -0.21 0.32 0.34 0.10 0.00 0.00 175.35 176.21 2azu s ASP 93 N -2.91 -0.06 0.05 0.03 2.15 -0.24 -4.99 116.67 110.70 2azu s ASP 93 Ca 0.08 -0.58 0.01 0.00 0.43 0.00 0.00 52.55 52.49 2azu s ASP 93 Cb 0.06 0.44 -0.03 0.00 -0.30 0.00 0.00 42.92 43.09 2azu s ASP 93 CO -0.09 -0.85 -0.06 -0.55 -0.17 0.00 0.00 175.17 173.45 2azu s SER 94 N -2.87 0.72 -0.06 -0.34 0.15 -1.26 -0.52 113.70 109.51 2azu s SER 94 Ca 0.08 -0.63 -0.05 0.00 0.70 0.00 0.00 55.95 56.04 2azu s SER 94 Cb 0.03 0.07 0.02 0.00 -1.71 0.00 0.00 66.02 64.43 2azu s SER 94 CO -0.08 -0.29 0.15 0.54 1.20 0.00 0.00 173.24 174.77 2azu s VAL 95 N -1.90 -0.01 -0.06 4.45 0.11 -0.53 -4.94 120.40 117.52 2azu s VAL 95 Ca -0.07 0.03 0.06 0.00 -2.93 0.00 0.00 61.98 59.06 2azu s VAL 95 Cb -0.07 -0.23 -0.01 0.00 -1.53 0.00 0.00 36.38 34.55 2azu s VAL 95 CO -0.01 0.01 -0.24 -0.89 -3.33 0.00 0.00 175.10 170.63 2azu s THR 96 N 0.26 2.01 0.11 5.04 2.01 -1.26 -0.96 115.64 122.86 2azu s THR 96 Ca -0.01 -1.04 0.03 0.00 0.31 0.00 0.00 61.69 60.98 2azu s THR 96 Cb -0.03 -1.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 2azu s THR 96 CO -0.01 0.56 -0.09 0.72 -0.69 0.00 0.00 174.62 175.11 2azu s PHE 97 N -0.07 1.06 -0.07 4.92 -0.71 -0.29 -4.94 117.98 117.88 2azu s PHE 97 Ca -0.06 -0.79 -0.30 0.00 -1.04 0.00 0.00 56.93 54.75 2azu s PHE 97 Cb -0.14 -0.57 -0.02 0.00 -1.21 0.00 0.00 43.02 41.07 2azu s PHE 97 CO 0.04 -0.03 1.05 0.34 -1.34 0.00 0.00 175.22 175.28 2azu s ASP 98 N -2.91 7.22 0.51 1.98 -1.08 -1.26 -0.82 116.67 120.31 2azu s ASP 98 Ca 0.11 1.63 0.25 0.00 -0.52 0.00 0.00 52.55 54.03 2azu s ASP 98 Cb 0.02 -2.56 1.36 0.00 -1.46 0.00 0.00 42.92 40.28 2azu s ASP 98 CO -0.02 -0.44 2.05 0.58 0.52 0.00 0.00 175.17 177.86 2azu h VAL 99 N 5.00 0.66 0.00 1.11 2.07 -1.52 -2.20 116.25 121.37 2azu h VAL 99 Ca -0.34 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.61 2azu h VAL 99 Cb 1.17 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 2azu h VAL 99 CO 0.84 0.13 0.00 -1.54 0.02 0.00 0.00 177.57 177.02 2azu n SER 100 N -3.74 0.00 -0.47 0.57 3.41 -1.26 -0.89 113.62 111.24 2azu n SER 100 Ca -0.02 -0.87 0.14 0.00 -0.26 0.00 0.00 58.87 57.86 2azu n SER 100 Cb 0.25 0.00 0.49 0.00 -0.26 0.00 0.00 64.21 64.69 2azu n SER 100 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2azu n LYS 101 N -0.77 1.59 -4.22 4.33 5.02 -0.83 -4.86 118.16 118.42 2azu n LYS 101 Ca 0.08 -0.94 -0.28 0.00 -2.02 0.00 0.00 58.31 55.15 2azu n LYS 101 Cb 0.04 -1.48 -0.09 0.00 -0.02 0.00 0.00 35.03 33.48 2azu n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2azu s LEU 102 N -2.06 3.19 0.11 -0.35 1.43 -0.07 -5.12 118.68 115.81 2azu s LEU 102 Ca 0.36 -0.41 0.04 0.00 -1.03 0.00 0.00 54.13 53.10 2azu s LEU 102 Cb 0.21 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 2azu s LEU 102 CO 0.36 0.12 -0.11 -1.59 0.23 0.00 0.00 176.35 175.36 2azu s LYS 103 N -2.67 0.91 0.44 1.70 -2.85 -1.26 -5.05 119.74 110.95 2azu s LYS 103 Ca 0.25 -1.20 -0.22 0.00 -1.00 0.00 0.00 55.97 53.81 2azu s LYS 103 Cb -0.10 -0.65 -0.09 0.00 -2.06 0.00 0.00 37.83 34.92 2azu s LYS 103 CO 0.17 0.11 1.01 -1.83 0.10 0.00 0.00 175.35 174.90 2azu s GLU 104 N -2.80 4.07 0.00 1.78 -1.05 -1.26 -3.31 118.70 116.12 2azu s GLU 104 Ca 0.07 1.31 0.00 0.00 -0.15 0.00 0.00 54.97 56.20 2azu s GLU 104 Cb -0.03 -2.26 0.00 0.00 -0.44 0.00 0.00 34.13 31.40 2azu s GLU 104 CO 0.01 -0.20 0.00 0.41 0.95 0.00 0.00 175.26 176.43 2azu n GLY 105 N -0.20 1.01 3.60 -3.83 0.00 -1.26 -5.04 105.19 99.48 2azu n GLY 105 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 2azu n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2azu s GLU 106 N -0.45 3.02 -0.16 1.61 2.12 -1.21 -5.10 118.70 118.53 2azu s GLU 106 Ca 0.00 -0.49 -0.18 0.00 0.36 0.00 0.00 54.97 54.67 2azu s GLU 106 Cb 0.00 -2.73 -0.04 0.00 0.26 0.00 0.00 34.13 31.62 2azu s GLU 106 CO 0.00 0.60 0.47 -0.65 -0.54 0.00 0.00 175.26 175.14 2azu s GLN 107 N -0.61 4.27 0.14 4.30 -0.21 -1.26 -4.87 119.66 121.42 2azu s GLN 107 Ca 0.09 0.39 0.09 0.00 0.02 0.00 0.00 55.36 55.96 2azu s GLN 107 Cb -0.12 -3.49 -0.04 0.00 1.00 0.00 0.00 33.01 30.36 2azu s GLN 107 CO 0.02 0.04 -0.17 0.71 -2.12 0.00 0.00 175.29 173.77 2azu s TYR 108 N 1.02 2.53 0.03 0.91 2.02 -1.24 -1.08 117.35 121.52 2azu s TYR 108 Ca 0.24 -0.27 0.04 0.00 -0.37 0.00 0.00 57.07 56.72 2azu s TYR 108 Cb -0.15 -1.31 -0.02 0.00 -0.40 0.00 0.00 41.96 40.08 2azu s TYR 108 CO 0.09 0.42 -0.13 -1.64 -1.57 0.00 0.00 175.55 172.72 2azu s MET 109 N -2.31 0.91 0.11 -0.62 -1.94 -0.37 -2.58 119.30 112.50 2azu s MET 109 Ca 0.19 -0.66 0.06 0.00 -1.71 0.00 0.00 55.69 53.58 2azu s MET 109 Cb -0.10 -0.90 -0.04 0.00 2.01 0.00 0.00 34.83 35.80 2azu s MET 109 CO 0.11 0.23 -0.04 -0.59 -0.01 0.00 0.00 175.02 174.72 2azu s PHE 110 N -0.71 2.88 0.14 -0.03 -0.12 -0.41 -2.01 117.98 117.73 2azu s PHE 110 Ca 0.02 -0.09 -0.25 0.00 -0.05 0.00 0.00 56.93 56.56 2azu s PHE 110 Cb -0.07 -1.48 0.07 0.00 -0.63 0.00 0.00 43.02 40.91 2azu s PHE 110 CO 0.01 0.47 0.92 -0.59 -0.05 0.00 0.00 175.22 175.97 2azu s PHE 111 N -1.33 -0.18 -0.11 3.49 -0.71 -0.20 -1.51 117.98 117.42 2azu s PHE 111 Ca 0.24 -0.11 -0.05 0.00 -1.04 0.00 0.00 56.93 55.97 2azu s PHE 111 Cb -0.11 0.63 -0.04 0.00 -1.21 0.00 0.00 43.02 42.29 2azu s PHE 111 CO 0.17 -0.82 0.09 0.00 -1.34 0.00 0.00 175.22 173.31 2azu n THR 113 N 2.09 0.38 -1.78 0.00 -2.24 -1.26 -3.55 114.28 107.92 2azu n THR 113 Ca -0.19 -0.69 -0.41 0.00 -2.27 0.00 0.00 64.05 60.48 2azu n THR 113 Cb 0.54 1.07 -0.02 0.00 -2.10 0.00 0.00 70.33 69.83 2azu n THR 113 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2azu s PHE 114 N -1.43 2.76 -0.23 4.78 2.19 -1.26 -4.32 117.98 120.47 2azu s PHE 114 Ca 0.31 0.78 -0.40 0.00 0.33 0.00 0.00 56.93 57.96 2azu s PHE 114 Cb 0.19 -4.06 -0.16 0.00 -1.31 0.00 0.00 43.02 37.68 2azu s PHE 114 CO 0.27 -3.58 1.70 -2.30 1.83 0.00 0.00 175.22 173.14 2azu n PRO 115 N 2.21 1.18 0.00 10.12 -0.02 -1.26 -1.46 135.00 145.77 2azu n PRO 115 Ca 0.08 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2azu n PRO 115 Cb 0.37 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 2azu n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2azu n GLY 116 N 3.99 3.12 0.21 -1.23 0.00 -1.26 -4.88 105.19 105.13 2azu n GLY 116 Ca 0.25 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.29 2azu n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2azu h HIS 117 N 0.00 0.11 0.00 1.61 3.86 -1.53 -3.17 115.15 116.03 2azu h HIS 117 Ca 0.00 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2azu h HIS 117 Cb 0.00 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 28.44 2azu h HIS 117 CO 0.00 0.39 -0.01 0.66 0.86 0.00 0.00 177.93 179.83 2azu h SER 118 N 0.09 0.00 -0.71 2.45 4.64 -1.75 0.49 113.55 118.76 2azu h SER 118 Ca 0.01 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.48 2azu h SER 118 Cb 0.57 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.61 2azu h SER 118 CO 0.04 0.01 0.48 0.00 -0.87 0.00 0.00 176.83 176.50 2azu h ALA 119 N 1.99 2.16 0.00 5.18 0.00 -1.91 -3.28 119.26 123.40 2azu h ALA 119 Ca -0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2azu h ALA 119 Cb 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2azu h ALA 119 CO 0.00 -0.35 -1.17 1.28 0.00 0.00 0.00 179.25 179.01 2azu n LEU 120 N -4.46 0.36 -4.15 0.00 4.77 -0.40 -4.84 117.00 108.28 2azu n LEU 120 Ca 0.13 -0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.68 2azu n LEU 120 Cb 0.53 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 2azu n LEU 120 CO 0.33 0.12 1.63 0.23 -1.33 0.00 0.00 177.39 178.37 2azu n MET 121 N -2.15 3.56 -3.65 3.23 2.81 0.03 -4.69 117.12 116.25 2azu n MET 121 Ca -0.04 -3.76 -0.11 0.00 -1.81 0.00 0.00 57.70 51.98 2azu n MET 121 Cb 0.58 -2.94 -0.05 0.00 -0.71 0.00 0.00 33.22 30.10 2azu n MET 121 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2azu s LYS 122 N 0.64 1.02 0.29 0.03 -2.85 -1.26 -2.00 119.74 115.61 2azu s LYS 122 Ca 0.40 -0.65 -0.19 0.00 -1.00 0.00 0.00 55.97 54.53 2azu s LYS 122 Cb 0.03 0.45 0.06 0.00 -2.06 0.00 0.00 37.83 36.31 2azu s LYS 122 CO 0.01 -0.38 0.90 0.20 0.10 0.00 0.00 175.35 176.17 2azu s GLY 123 N -2.63 0.23 0.09 0.59 0.00 -0.57 -4.70 107.32 100.32 2azu s GLY 123 Ca 0.01 -0.53 0.01 0.00 0.00 0.00 0.00 44.72 44.21 2azu s GLY 123 CO -0.10 0.90 0.23 -0.51 0.00 0.00 0.00 173.10 173.62 2azu s THR 124 N -2.32 5.35 -0.08 0.90 -4.23 -0.43 -1.28 115.64 113.55 2azu s THR 124 Ca 0.18 -0.50 0.01 0.00 -1.18 0.00 0.00 61.69 60.20 2azu s THR 124 Cb -0.04 -3.66 0.02 0.00 1.34 0.00 0.00 72.50 70.15 2azu s THR 124 CO 0.08 0.06 -0.10 -0.22 -0.54 0.00 0.00 174.62 173.90 2azu s LEU 125 N -2.77 1.51 -0.01 4.79 0.20 -1.06 -0.23 118.68 121.11 2azu s LEU 125 Ca 0.35 -0.28 0.03 0.00 0.69 0.00 0.00 54.13 54.92 2azu s LEU 125 Cb -0.12 -0.80 -0.01 0.00 -0.43 0.00 0.00 46.19 44.83 2azu s LEU 125 CO 0.28 -0.01 -0.11 0.28 -0.29 0.00 0.00 176.35 176.50 2azu s THR 126 N 0.94 0.85 -0.38 3.68 -1.32 -0.27 -3.73 115.64 115.41 2azu s THR 126 Ca -0.10 -0.47 -0.26 0.00 -1.21 0.00 0.00 61.69 59.66 2azu s THR 126 Cb -0.15 -0.71 0.02 0.00 -1.51 0.00 0.00 72.50 70.15 2azu s THR 126 CO 0.00 0.24 0.92 -0.22 -2.21 0.00 0.00 174.62 173.35 2azu s LEU 127 N -0.26 4.00 0.00 9.08 0.20 -1.26 -0.41 118.68 130.03 2azu s LEU 127 Ca 0.04 0.53 0.00 0.00 0.69 0.00 0.00 54.13 55.39 2azu s LEU 127 Cb -0.04 -3.25 0.00 0.00 -0.43 0.00 0.00 46.19 42.47 2azu s LEU 127 CO -0.00 -0.87 0.07 0.29 -0.29 0.00 0.00 176.35 175.54