#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2azu s GLN 2 N 0.00 4.12 -1.17 0.00 0.74 -1.26 -3.83 119.66 118.27 2azu s GLN 2 Ca 0.00 1.43 -0.08 0.00 0.05 0.00 0.00 55.36 56.76 2azu s GLN 2 Cb 0.00 -3.78 0.07 0.00 1.10 0.00 0.00 33.01 30.40 2azu s GLN 2 CO 0.00 -0.84 0.39 0.00 -0.55 0.00 0.00 175.29 174.29 2azu s SER 4 N -2.60 -0.57 -0.04 0.00 1.04 -1.25 -1.99 113.70 108.28 2azu s SER 4 Ca 0.34 0.24 -0.06 0.00 0.48 0.00 0.00 55.95 56.94 2azu s SER 4 Cb -0.18 0.55 0.01 0.00 0.10 0.00 0.00 66.02 66.50 2azu s SER 4 CO 0.42 -0.80 0.16 0.54 0.98 0.00 0.00 173.24 174.53 2azu s VAL 5 N -2.81 0.03 -0.15 5.02 0.11 -0.49 -3.05 120.40 119.05 2azu s VAL 5 Ca -0.02 -0.22 -0.05 0.00 -2.93 0.00 0.00 61.98 58.76 2azu s VAL 5 Cb -0.01 -0.30 -0.03 0.00 -1.53 0.00 0.00 36.38 34.51 2azu s VAL 5 CO -0.05 -0.12 0.02 -1.81 -3.33 0.00 0.00 175.10 169.81 2azu s ASP 6 N -0.37 5.27 0.01 3.54 1.01 -1.26 -0.86 116.67 124.00 2azu s ASP 6 Ca -0.05 0.03 -0.00 0.00 0.71 0.00 0.00 52.55 53.24 2azu s ASP 6 Cb -0.03 -1.81 -0.01 0.00 1.01 0.00 0.00 42.92 42.08 2azu s ASP 6 CO 0.01 0.22 -0.01 -0.51 0.21 0.00 0.00 175.17 175.08 2azu s ILE 7 N 0.09 0.07 0.06 0.77 2.07 -0.05 -4.94 121.20 119.28 2azu s ILE 7 Ca 0.03 -0.59 0.08 0.00 -1.41 0.00 0.00 60.65 58.76 2azu s ILE 7 Cb -0.13 -0.19 -0.03 0.00 0.13 0.00 0.00 42.46 42.25 2azu s ILE 7 CO 0.02 -0.32 -0.22 -1.10 -1.91 0.00 0.00 174.94 171.40 2azu s GLN 8 N -0.95 1.39 -0.01 3.50 -0.21 -1.26 -1.39 119.66 120.72 2azu s GLN 8 Ca -0.10 -1.05 0.07 0.00 0.02 0.00 0.00 55.36 54.30 2azu s GLN 8 Cb -0.06 -1.57 -0.02 0.00 1.00 0.00 0.00 33.01 32.35 2azu s GLN 8 CO -0.01 0.39 -0.23 0.20 -2.12 0.00 0.00 175.29 173.53 2azu s GLY 9 N -1.42 1.11 0.46 3.09 0.00 -1.02 -0.62 107.32 108.93 2azu s GLY 9 Ca 0.08 -0.98 0.03 0.00 0.00 0.00 0.00 44.72 43.85 2azu s GLY 9 CO 0.03 -0.82 0.05 0.54 0.00 0.00 0.00 173.10 172.89 2azu s ASN 10 N -0.57 3.59 0.00 1.64 2.20 -0.66 -4.23 114.94 116.90 2azu s ASN 10 Ca 0.09 -1.63 0.19 0.00 -0.94 0.00 0.00 52.86 50.56 2azu s ASN 10 Cb -0.09 0.44 1.11 0.00 -2.00 0.00 0.00 41.25 40.71 2azu s ASN 10 CO -0.01 -0.85 1.51 0.47 -2.94 0.00 0.00 177.10 175.29 2azu n ASP 11 N -1.24 0.00 -1.31 3.54 8.00 -1.26 -2.41 116.55 121.86 2azu n ASP 11 Ca -0.13 -0.61 0.08 0.00 0.71 0.00 0.00 54.79 54.84 2azu n ASP 11 Cb 0.66 0.00 0.31 0.00 -0.02 0.00 0.00 41.12 42.07 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 -0.99 3.57 -3.68 -1.24 3.00 -1.26 -4.95 117.38 111.84 2azu n GLN 12 Ca 0.14 -2.79 -0.22 0.00 -0.01 0.00 0.00 57.00 54.12 2azu n GLN 12 Cb 0.06 -1.84 0.03 0.00 0.00 0.00 0.00 30.24 28.50 2azu n GLN 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 2azu n MET 13 N 0.54 -4.43 -4.36 -1.09 2.81 -1.01 -5.02 117.12 104.55 2azu n MET 13 Ca 0.23 0.61 -0.19 0.00 -1.81 0.00 0.00 57.70 56.54 2azu n MET 13 Cb 0.87 -5.11 -0.14 0.00 -0.71 0.00 0.00 33.22 28.13 2azu n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2azu s GLN 14 N -5.91 0.89 0.19 0.03 -0.21 -1.26 -4.20 119.66 109.19 2azu s GLN 14 Ca 0.06 -0.66 0.01 0.00 0.02 0.00 0.00 55.36 54.78 2azu s GLN 14 Cb -0.02 -0.87 -0.04 0.00 1.00 0.00 0.00 33.01 33.08 2azu s GLN 14 CO 0.81 0.22 0.36 -0.06 -2.12 0.00 0.00 175.29 174.50 2azu s PHE 15 N -0.74 3.48 -2.09 0.91 0.08 -1.26 -1.66 117.98 116.70 2azu s PHE 15 Ca 0.01 0.26 0.15 0.00 0.12 0.00 0.00 56.93 57.47 2azu s PHE 15 Cb -0.07 -1.78 0.65 0.00 -0.57 0.00 0.00 43.02 41.25 2azu s PHE 15 CO 0.01 0.42 1.45 0.27 -0.10 0.00 0.00 175.22 177.27 2azu n ASN 16 N -0.66 0.91 -3.76 1.36 6.94 0.21 -4.73 115.26 115.53 2azu n ASN 16 Ca -0.06 -1.72 -0.13 0.00 -0.02 0.00 0.00 54.58 52.65 2azu n ASN 16 Cb 0.54 -0.08 -0.09 0.00 -2.36 0.00 0.00 39.78 37.79 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 -1.84 0.06 -0.03 5.53 -1.32 -1.26 -4.96 115.64 111.81 2azu s THR 17 Ca 0.24 -0.49 0.04 0.00 -1.21 0.00 0.00 61.69 60.27 2azu s THR 17 Cb 0.12 -0.63 0.07 0.00 -1.51 0.00 0.00 72.50 70.55 2azu s THR 17 CO 0.18 -0.27 0.97 -0.46 -2.21 0.00 0.00 174.62 172.84 2azu n ASN 18 N 1.23 1.74 -3.66 8.08 0.23 -1.26 -4.85 115.26 116.77 2azu n ASN 18 Ca -0.21 -2.13 -0.10 0.00 -0.53 0.00 0.00 54.58 51.61 2azu n ASN 18 Cb 0.56 -0.11 -0.10 0.00 -2.08 0.00 0.00 39.78 38.05 2azu n ASN 18 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2azu s ALA 19 N -1.26 -1.00 -0.08 -2.53 0.00 -1.26 -1.38 121.76 114.25 2azu s ALA 19 Ca 0.07 1.36 0.01 0.00 0.00 0.00 0.00 51.96 53.41 2azu s ALA 19 Cb 0.06 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.92 2azu s ALA 19 CO 0.01 -0.71 -0.10 0.42 0.00 0.00 0.00 175.76 175.37 2azu s ILE 20 N 2.53 3.42 -0.14 0.00 1.01 0.51 -4.96 121.20 123.58 2azu s ILE 20 Ca -0.01 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.07 2azu s ILE 20 Cb -0.12 -2.39 -0.01 0.00 0.01 0.00 0.00 42.46 39.95 2azu s ILE 20 CO -0.12 0.58 -0.15 -0.89 0.00 0.00 0.00 174.94 174.36 2azu s THR 21 N -0.56 2.79 -0.15 2.92 2.01 -1.26 -1.12 115.64 120.26 2azu s THR 21 Ca 0.08 -0.74 -0.01 0.00 0.31 0.00 0.00 61.69 61.33 2azu s THR 21 Cb -0.12 -2.17 -0.01 0.00 0.01 0.00 0.00 72.50 70.22 2azu s THR 21 CO 0.02 0.52 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.66 2azu s VAL 22 N 0.58 3.03 0.13 3.82 1.01 0.60 -4.95 120.40 124.63 2azu s VAL 22 Ca -0.09 -0.65 -0.28 0.00 0.00 0.00 0.00 61.98 60.95 2azu s VAL 22 Cb -0.16 -2.29 -0.07 0.00 0.00 0.00 0.00 36.38 33.86 2azu s VAL 22 CO 0.03 0.51 0.90 -0.62 0.00 0.00 0.00 175.10 175.92 2azu s ASP 23 N 0.59 7.46 0.58 3.32 2.15 -1.26 -1.03 116.67 128.48 2azu s ASP 23 Ca -0.07 1.74 0.27 0.00 0.43 0.00 0.00 52.55 54.92 2azu s ASP 23 Cb -0.15 -2.56 1.70 0.00 -0.30 0.00 0.00 42.92 41.61 2azu s ASP 23 CO 0.03 0.03 2.21 0.11 -0.17 0.00 0.00 175.17 177.38 2azu h LYS 24 N 5.18 0.00 0.00 4.34 1.57 -1.04 -1.00 116.57 125.61 2azu h LYS 24 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 2azu h LYS 24 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2azu h LYS 24 CO 0.70 0.00 0.00 0.77 -0.57 0.00 0.00 179.45 180.35 2azu h SER 25 N 0.00 0.00 -3.55 0.86 0.02 -1.91 -3.44 113.55 105.53 2azu h SER 25 Ca 0.02 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.45 2azu h SER 25 Cb 0.09 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 2azu h SER 25 CO -0.00 0.00 0.45 0.00 -1.14 0.00 0.00 176.83 176.14 2azu h LYS 27 N 5.30 0.66 -4.76 0.00 6.56 -1.88 -3.43 116.57 119.03 2azu h LYS 27 Ca -0.44 -0.74 -0.27 0.00 -1.06 0.00 0.00 60.65 58.14 2azu h LYS 27 Cb 1.21 0.22 -0.15 0.00 -0.57 0.00 0.00 32.23 32.94 2azu h LYS 27 CO 0.73 1.32 -0.67 -0.65 -2.06 0.00 0.00 179.45 178.11 2azu s GLN 28 N -3.25 1.03 -0.02 3.15 -0.21 -1.26 -1.47 119.66 117.63 2azu s GLN 28 Ca -0.09 -1.47 0.00 0.00 0.02 0.00 0.00 55.36 53.82 2azu s GLN 28 Cb 0.07 -0.25 0.02 0.00 1.00 0.00 0.00 33.01 33.84 2azu s GLN 28 CO 0.92 -0.09 -0.00 0.12 -2.12 0.00 0.00 175.29 174.11 2azu s PHE 29 N -3.64 0.20 -0.08 0.91 5.36 -0.40 -4.80 117.98 115.52 2azu s PHE 29 Ca 0.20 0.01 0.02 0.00 -0.96 0.00 0.00 56.93 56.21 2azu s PHE 29 Cb 0.06 -0.24 -0.02 0.00 -0.34 0.00 0.00 43.02 42.47 2azu s PHE 29 CO 0.01 -0.07 -0.13 0.99 -1.46 0.00 0.00 175.22 174.57 2azu s THR 30 N 0.56 3.14 -0.15 0.12 2.01 -0.84 -0.47 115.64 120.00 2azu s THR 30 Ca -0.05 -0.68 0.01 0.00 0.31 0.00 0.00 61.69 61.29 2azu s THR 30 Cb -0.08 -2.26 0.02 0.00 0.01 0.00 0.00 72.50 70.19 2azu s THR 30 CO -0.01 0.57 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.61 2azu s VAL 31 N -0.42 1.90 -0.30 3.82 1.01 0.12 -1.40 120.40 125.13 2azu s VAL 31 Ca 0.05 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 2azu s VAL 31 Cb -0.12 -1.72 0.03 0.00 0.00 0.00 0.00 36.38 34.57 2azu s VAL 31 CO 0.02 0.52 0.03 0.20 0.00 0.00 0.00 175.10 175.87 2azu s ASN 32 N 1.17 4.91 -0.19 3.32 0.01 -0.04 -1.51 114.94 122.61 2azu s ASN 32 Ca 0.00 -0.99 -0.09 0.00 -0.71 0.00 0.00 52.86 51.07 2azu s ASN 32 Cb -0.14 -1.78 -0.05 0.00 0.41 0.00 0.00 41.25 39.69 2azu s ASN 32 CO -0.08 -0.23 0.12 -0.22 -1.51 0.00 0.00 177.10 175.18 2azu s LEU 33 N 1.37 4.15 0.06 0.60 2.96 0.37 -0.87 118.68 127.33 2azu s LEU 33 Ca -0.01 0.22 0.05 0.00 -0.22 0.00 0.00 54.13 54.17 2azu s LEU 33 Cb -0.18 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.42 2azu s LEU 33 CO -0.00 0.20 -0.13 -0.94 -1.32 0.00 0.00 176.35 174.16 2azu s SER 34 N 0.24 1.54 -0.36 3.68 1.04 -0.49 -1.19 113.70 118.16 2azu s SER 34 Ca 0.08 -0.59 0.04 0.00 0.48 0.00 0.00 55.95 55.95 2azu s SER 34 Cb -0.11 -0.04 0.10 0.00 0.10 0.00 0.00 66.02 66.07 2azu s SER 34 CO -0.01 -0.09 0.08 -0.76 0.98 0.00 0.00 173.24 173.44 2azu s LEU 35 N -1.67 4.60 0.00 2.42 1.02 -0.69 -2.42 118.68 121.93 2azu s LEU 35 Ca -0.03 -2.26 0.22 0.00 0.02 0.00 0.00 54.13 52.08 2azu s LEU 35 Cb -0.10 -1.60 0.98 0.00 0.02 0.00 0.00 46.19 45.49 2azu s LEU 35 CO 0.02 -0.36 1.69 -0.81 0.02 0.00 0.00 176.35 176.91 2azu n PRO 36 N 4.12 0.10 -0.03 1.29 -0.04 -1.26 -0.55 135.00 138.63 2azu n PRO 36 Ca 0.04 0.11 -0.01 0.00 -0.04 0.00 0.00 63.50 63.60 2azu n PRO 36 Cb 0.41 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.37 2azu n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2azu n GLY 37 N 0.67 -2.56 0.00 0.55 0.00 -1.26 -4.72 105.19 97.86 2azu n GLY 37 Ca 0.07 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.66 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 -3.06 0.72 -4.77 1.61 4.13 -1.26 -3.69 115.26 108.93 2azu n ASN 38 Ca 0.01 -0.37 -0.39 0.00 1.68 0.00 0.00 54.58 55.50 2azu n ASN 38 Cb 0.02 0.88 -0.06 0.00 -1.54 0.00 0.00 39.78 39.09 2azu n ASN 38 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2azu s LEU 39 N -1.91 4.52 0.98 3.41 1.43 -1.26 -4.86 118.68 120.98 2azu s LEU 39 Ca 0.00 1.48 -0.12 0.00 -1.03 0.00 0.00 54.13 54.46 2azu s LEU 39 Cb 0.00 -3.19 0.18 0.00 0.03 0.00 0.00 46.19 43.21 2azu s LEU 39 CO 0.00 0.14 1.10 -2.16 0.23 0.00 0.00 176.35 175.66 2azu s PRO 40 N -0.66 0.59 0.20 1.29 0.04 -1.26 -2.77 135.00 132.42 2azu s PRO 40 Ca 0.35 0.52 -0.10 0.00 0.04 0.00 0.00 61.00 61.82 2azu s PRO 40 Cb -0.21 -1.76 0.25 0.00 0.04 0.00 0.00 34.50 32.82 2azu s PRO 40 CO 0.23 -2.63 1.76 -0.22 0.04 0.00 0.00 177.00 176.18 2azu h LYS 41 N -1.82 0.44 0.00 4.56 3.64 -1.84 -0.42 116.57 121.13 2azu h LYS 41 Ca -0.54 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 2azu h LYS 41 Cb 1.32 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2azu h LYS 41 CO 0.58 0.29 0.00 -2.95 -2.27 0.00 0.00 179.45 175.10 2azu h ASN 42 N 0.45 0.00 0.00 4.20 -1.07 -1.95 0.35 115.58 117.56 2azu h ASN 42 Ca 0.29 0.00 -0.07 0.00 0.07 0.00 0.00 56.30 56.59 2azu h ASN 42 Cb 0.32 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.55 2azu h ASN 42 CO -0.27 0.00 -1.45 0.55 0.07 0.00 0.00 177.43 176.33 2azu n VAL 43 N -2.56 0.26 -2.72 6.14 3.14 -0.95 -4.78 118.33 116.85 2azu n VAL 43 Ca 0.00 -0.26 -0.04 0.00 -2.96 0.00 0.00 64.34 61.09 2azu n VAL 43 Cb 0.19 -0.23 0.08 0.00 -1.06 0.00 0.00 33.84 32.82 2azu n VAL 43 CO 0.00 0.00 0.00 0.80 -6.46 0.00 0.00 176.83 171.17 2azu n MET 44 N -2.03 1.39 -2.42 1.45 0.00 -0.21 -5.02 117.12 110.29 2azu n MET 44 Ca -0.07 -2.41 -0.39 0.00 -0.00 0.00 0.00 57.70 54.83 2azu n MET 44 Cb 0.48 -0.59 -0.03 0.00 0.00 0.00 0.00 33.22 33.07 2azu n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2azu s GLY 45 N -2.32 2.92 0.08 -5.12 0.00 0.11 -4.69 107.32 98.31 2azu s GLY 45 Ca 0.21 0.89 0.07 0.00 0.00 0.00 0.00 44.72 45.88 2azu s GLY 45 CO -0.06 1.43 -0.18 0.30 0.00 0.00 0.00 173.10 174.58 2azu s HIS 46 N -1.36 1.57 0.21 1.90 3.76 0.08 -4.66 115.29 116.79 2azu s HIS 46 Ca 0.52 -0.41 -0.01 0.00 -0.15 0.00 0.00 55.06 55.01 2azu s HIS 46 Cb -0.30 -0.89 -0.04 0.00 1.11 0.00 0.00 32.58 32.46 2azu s HIS 46 CO 0.38 0.13 0.12 0.54 -0.85 0.00 0.00 174.74 175.05 2azu s ASN 47 N -1.64 0.35 -0.13 1.40 2.20 -1.26 -1.18 114.94 114.68 2azu s ASN 47 Ca 0.04 -1.38 0.00 0.00 -0.94 0.00 0.00 52.86 50.58 2azu s ASN 47 Cb -0.09 0.34 0.02 0.00 -2.00 0.00 0.00 41.25 39.51 2azu s ASN 47 CO 0.03 -0.81 -0.13 0.86 -2.94 0.00 0.00 177.10 174.11 2azu s TRP 48 N -4.08 1.98 -0.02 1.54 -0.00 -1.26 -4.08 118.94 113.02 2azu s TRP 48 Ca 0.38 -1.06 0.05 0.00 -0.00 0.00 0.00 56.10 55.47 2azu s TRP 48 Cb 0.07 -1.48 -0.01 0.00 -0.00 0.00 0.00 33.47 32.05 2azu s TRP 48 CO 0.12 -0.60 -0.17 0.08 -0.00 0.00 0.00 176.95 176.37 2azu s VAL 49 N 1.46 1.38 -0.09 5.86 1.01 -0.34 -1.27 120.40 128.40 2azu s VAL 49 Ca 0.03 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.30 2azu s VAL 49 Cb -0.13 -1.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 2azu s VAL 49 CO -0.09 0.39 -0.18 -0.22 0.00 0.00 0.00 175.10 175.00 2azu s LEU 50 N -0.33 2.43 0.36 3.92 2.96 -0.09 -1.81 118.68 126.13 2azu s LEU 50 Ca 0.05 -0.40 -0.07 0.00 -0.22 0.00 0.00 54.13 53.49 2azu s LEU 50 Cb -0.08 -1.50 0.02 0.00 0.50 0.00 0.00 46.19 45.13 2azu s LEU 50 CO -0.00 0.21 0.59 -0.94 -1.32 0.00 0.00 176.35 174.89 2azu s SER 51 N 0.06 0.61 0.75 3.68 1.04 -1.01 -0.96 113.70 117.87 2azu s SER 51 Ca -0.08 -1.37 -0.11 0.00 0.48 0.00 0.00 55.95 54.88 2azu s SER 51 Cb -0.15 0.74 0.04 0.00 0.10 0.00 0.00 66.02 66.75 2azu s SER 51 CO 0.05 -1.45 1.08 0.42 0.98 0.00 0.00 173.24 174.33 2azu s THR 52 N -2.76 3.51 0.31 2.02 -4.23 -1.26 -1.43 115.64 111.80 2azu s THR 52 Ca 0.25 0.49 0.01 0.00 -1.18 0.00 0.00 61.69 61.26 2azu s THR 52 Cb -0.02 -3.05 0.28 0.00 1.34 0.00 0.00 72.50 71.05 2azu s THR 52 CO 0.17 -0.64 1.92 0.00 -0.54 0.00 0.00 174.62 175.53 2azu h ALA 53 N -1.02 1.53 -0.94 3.99 0.00 -1.15 -2.66 119.26 119.01 2azu h ALA 53 Ca -0.44 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.50 2azu h ALA 53 Cb 1.23 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 2azu h ALA 53 CO 0.53 0.35 0.61 0.00 0.00 0.00 0.00 179.25 180.73 2azu h ALA 54 N 1.52 1.28 -0.00 0.00 0.00 -1.91 -3.16 119.26 116.98 2azu h ALA 54 Ca 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2azu h ALA 54 Cb 0.18 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2azu h ALA 54 CO -0.13 0.43 -0.26 -0.25 0.00 0.00 0.00 179.25 179.04 2azu n ASP 55 N -4.52 0.76 -0.14 0.00 8.00 -1.02 -4.48 116.55 115.15 2azu n ASP 55 Ca 0.13 -0.64 -0.04 0.00 0.71 0.00 0.00 54.79 54.95 2azu n ASP 55 Cb 0.14 0.09 0.05 0.00 -0.02 0.00 0.00 41.12 41.37 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 0.78 0.30 -0.80 -1.24 1.85 -1.48 -0.89 114.93 113.45 2azu h MET 56 Ca 0.00 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.06 2azu h MET 56 Cb 0.47 -0.07 -0.04 0.00 0.43 0.00 0.00 31.60 32.40 2azu h MET 56 CO 0.00 0.20 0.47 0.37 -0.40 0.00 0.00 176.91 177.55 2azu h GLN 57 N 0.31 1.10 -0.45 0.39 5.75 -1.81 0.43 115.11 120.82 2azu h GLN 57 Ca 0.21 -0.11 -0.08 0.00 -0.15 0.00 0.00 58.65 58.52 2azu h GLN 57 Cb 0.23 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 2azu h GLN 57 CO -0.23 0.79 -0.03 0.78 -2.65 0.00 0.00 178.83 177.49 2azu h GLY 58 N 1.11 0.89 1.00 2.39 0.00 -1.74 -0.17 103.07 106.55 2azu h GLY 58 Ca 0.29 -0.68 0.00 0.00 0.00 0.00 0.00 47.33 46.94 2azu h GLY 58 CO -0.05 0.62 0.39 -2.08 0.00 0.00 0.00 176.54 175.42 2azu h VAL 59 N 0.67 1.17 0.03 4.60 2.07 -0.57 -1.38 116.25 122.84 2azu h VAL 59 Ca 0.13 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 2azu h VAL 59 Cb 0.54 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2azu h VAL 59 CO 0.03 0.17 -0.01 0.58 0.02 0.00 0.00 177.57 178.36 2azu h VAL 60 N 0.84 1.14 -0.49 2.57 2.07 -0.76 0.54 116.25 122.15 2azu h VAL 60 Ca 0.22 -0.52 0.04 0.00 0.82 0.00 0.00 66.70 67.27 2azu h VAL 60 Cb -0.06 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 2azu h VAL 60 CO -0.04 0.13 0.26 0.74 0.02 0.00 0.00 177.57 178.68 2azu h THR 61 N -0.26 0.98 -0.03 2.57 2.02 -0.95 -1.27 112.91 115.97 2azu h THR 61 Ca -0.00 -0.18 -0.14 0.00 0.77 0.00 0.00 66.41 66.86 2azu h THR 61 Cb 0.25 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 2azu h THR 61 CO 0.01 0.09 -0.63 0.44 0.37 0.00 0.00 175.52 175.80 2azu h ASP 62 N 0.51 0.12 -0.06 4.18 3.32 -1.27 -2.40 116.42 120.82 2azu h ASP 62 Ca 0.21 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 2azu h ASP 62 Cb 0.10 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 2azu h ASP 62 CO -0.13 0.72 0.03 1.23 -1.72 0.00 0.00 179.24 179.36 2azu h GLY 63 N 1.73 0.09 0.74 2.75 0.00 -0.54 -2.10 103.07 105.74 2azu h GLY 63 Ca -0.01 -0.04 0.05 0.00 0.00 0.00 0.00 47.33 47.33 2azu h GLY 63 CO 0.09 0.04 0.49 1.98 0.00 0.00 0.00 176.54 179.14 2azu h MET 64 N -0.01 0.88 0.00 4.80 1.85 -1.11 0.36 114.93 121.70 2azu h MET 64 Ca 0.02 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.06 2azu h MET 64 Cb 0.10 -0.20 0.00 0.00 0.43 0.00 0.00 31.60 31.93 2azu h MET 64 CO -0.00 0.58 0.00 0.00 -0.40 0.00 0.00 176.91 177.09 2azu h ALA 65 N 1.38 1.00 0.00 0.39 0.00 -1.21 -3.21 119.26 117.61 2azu h ALA 65 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2azu h ALA 65 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2azu h ALA 65 CO -0.16 0.00 -0.00 0.77 0.00 0.00 0.00 179.25 179.86 2azu h SER 66 N 0.00 0.00 -4.74 0.00 0.02 -0.22 -3.50 113.55 105.12 2azu h SER 66 Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2azu h SER 66 Cb 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 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 1.23 0.71 0.31 -3.77 0.00 -1.21 -4.22 105.19 98.23 2azu n GLY 67 Ca 0.05 -1.82 -0.09 0.00 0.00 0.00 0.00 46.02 44.16 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 1.05 -2.67 0.99 5.85 -1.94 -2.32 115.31 116.28 2azu h LEU 68 Ca 0.00 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 2azu h LEU 68 Cb 0.00 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.75 2azu h LEU 68 CO 0.00 1.07 -0.01 -2.24 -0.34 0.00 0.00 178.44 176.92 2azu h ASP 69 N 0.99 0.00 -0.54 1.25 2.03 -2.03 -1.20 116.42 116.93 2azu h ASP 69 Ca 0.19 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.43 2azu h ASP 69 Cb 0.50 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.97 2azu h ASP 69 CO 0.02 0.01 0.06 0.29 -1.03 0.00 0.00 179.24 178.59 2azu n LYS 70 N -3.19 4.13 -2.80 4.15 4.76 -0.91 -4.94 118.16 119.36 2azu n LYS 70 Ca -0.02 -3.09 -0.18 0.00 -2.87 0.00 0.00 58.31 52.15 2azu n LYS 70 Cb 0.11 -2.16 0.00 0.00 -1.84 0.00 0.00 35.03 31.15 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 0.14 -4.28 -4.10 4.39 9.92 -0.45 -2.06 116.55 120.11 2azu n ASP 71 Ca 0.30 -0.06 -0.31 0.00 -0.53 0.00 0.00 54.79 54.18 2azu n ASP 71 Cb 1.17 -3.57 -0.03 0.00 -0.64 0.00 0.00 41.12 38.05 2azu n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2azu n TYR 72 N -3.75 -1.68 -3.78 1.24 4.01 -0.99 -4.69 117.16 107.52 2azu n TYR 72 Ca -0.11 0.76 -0.14 0.00 -0.16 0.00 0.00 57.90 58.26 2azu n TYR 72 Cb 0.60 -3.33 -0.15 0.00 -0.31 0.00 0.00 39.34 36.15 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 -7.14 1.05 0.23 7.72 1.43 -0.87 -4.20 118.68 116.90 2azu s LEU 73 Ca 0.35 0.18 -0.31 0.00 -1.03 0.00 0.00 54.13 53.31 2azu s LEU 73 Cb -0.19 0.19 -0.12 0.00 0.03 0.00 0.00 46.19 46.10 2azu s LEU 73 CO 0.91 -0.12 1.65 1.17 0.23 0.00 0.00 176.35 180.20 2azu n LYS 74 N 3.96 2.66 -1.67 1.70 4.81 -1.26 -4.86 118.16 123.50 2azu n LYS 74 Ca -0.24 0.95 -0.47 0.00 -0.87 0.00 0.00 58.31 57.69 2azu n LYS 74 Cb 0.53 -2.76 -0.04 0.00 0.02 0.00 0.00 35.03 32.77 2azu n LYS 74 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 2azu n PRO 75 N 3.20 2.17 -3.76 1.64 -0.02 -1.26 -3.00 135.00 133.97 2azu n PRO 75 Ca 0.13 0.79 -0.28 0.00 -2.02 0.00 0.00 63.50 62.12 2azu n PRO 75 Cb 0.35 -2.58 0.03 0.00 -0.02 0.00 0.00 33.50 31.28 2azu n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2azu n ASP 76 N 4.30 -5.09 -4.66 2.55 8.00 -1.26 -4.90 116.55 115.50 2azu n ASP 76 Ca 0.18 -0.67 -0.42 0.00 0.71 0.00 0.00 54.79 54.59 2azu n ASP 76 Cb 0.29 -4.06 -0.03 0.00 -0.02 0.00 0.00 41.12 37.30 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 -3.20 6.63 0.56 -2.24 -1.08 -1.16 -4.87 116.67 111.30 2azu s ASP 77 Ca 0.61 2.22 0.31 0.00 -0.52 0.00 0.00 52.55 55.17 2azu s ASP 77 Cb -0.30 -2.53 1.65 0.00 -1.46 0.00 0.00 42.92 40.28 2azu s ASP 77 CO 0.75 -0.96 2.15 0.77 0.52 0.00 0.00 175.17 178.40 2azu h SER 78 N 9.71 0.00 1.74 -0.34 4.64 -1.93 -2.27 113.55 125.10 2azu h SER 78 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 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 0.96 0.07 0.00 0.03 -0.87 0.00 0.00 176.83 177.02 2azu h ARG 79 N 0.00 0.00 -5.99 4.77 3.08 -1.97 -3.43 114.38 110.84 2azu h ARG 79 Ca -0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 2azu h ARG 79 Cb 0.23 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.19 2azu h ARG 79 CO 0.01 0.00 0.59 0.08 -1.07 0.00 0.00 179.97 179.58 2azu s VAL 80 N -3.18 4.68 0.03 2.04 1.01 -0.85 -4.52 120.40 119.61 2azu s VAL 80 Ca 0.08 1.45 -0.18 0.00 0.00 0.00 0.00 61.98 63.34 2azu s VAL 80 Cb 0.08 -4.26 -0.22 0.00 0.00 0.00 0.00 36.38 31.98 2azu s VAL 80 CO 0.63 -0.33 1.15 0.40 0.00 0.00 0.00 175.10 176.96 2azu h ILE 81 N 5.63 1.37 -2.25 2.22 2.04 -1.34 -3.47 117.51 121.71 2azu h ILE 81 Ca -0.22 -2.08 -0.01 0.00 1.00 0.00 0.00 64.86 63.55 2azu h ILE 81 Cb 1.08 2.45 -0.17 0.00 -0.74 0.00 0.00 36.82 39.44 2azu h ILE 81 CO 0.94 0.62 0.29 0.00 0.00 0.00 0.00 178.15 180.00 2azu s ALA 82 N -3.33 -1.75 0.11 1.87 0.00 -1.25 -5.01 121.76 112.40 2azu s ALA 82 Ca -0.12 1.09 -0.25 0.00 0.00 0.00 0.00 51.96 52.68 2azu s ALA 82 Cb 0.05 0.19 0.07 0.00 0.00 0.00 0.00 23.12 23.44 2azu s ALA 82 CO 0.85 -0.51 0.63 -3.38 0.00 0.00 0.00 175.76 173.35 2azu s HIS 83 N -2.13 -0.55 0.56 0.00 -3.43 -1.26 -0.91 115.29 107.57 2azu s HIS 83 Ca -0.04 0.47 0.00 0.00 -0.80 0.00 0.00 55.06 54.69 2azu s HIS 83 Cb -0.00 0.53 0.11 0.00 -1.43 0.00 0.00 32.58 31.79 2azu s HIS 83 CO -0.00 -0.79 0.77 0.25 -2.00 0.00 0.00 174.74 172.98 2azu n THR 84 N -0.13 0.00 -1.97 -5.38 -2.24 -0.40 -4.81 114.28 99.36 2azu n THR 84 Ca -0.17 -1.25 -0.29 0.00 -2.27 0.00 0.00 64.05 60.07 2azu n THR 84 Cb 0.63 -0.97 0.12 0.00 -2.10 0.00 0.00 70.33 68.01 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 -4.49 1.52 -0.21 -0.78 -0.14 -1.26 -4.65 119.74 109.72 2azu s LYS 85 Ca 0.52 -0.15 -0.19 0.00 -1.36 0.00 0.00 55.97 54.78 2azu s LYS 85 Cb -0.03 -1.95 -0.03 0.00 -1.68 0.00 0.00 37.83 34.14 2azu s LYS 85 CO 0.34 -1.84 0.56 -1.17 -0.76 0.00 0.00 175.35 172.48 2azu s LEU 86 N -5.64 4.13 0.32 3.17 2.96 -1.26 -4.40 118.68 117.96 2azu s LEU 86 Ca 0.66 0.71 0.06 0.00 -0.22 0.00 0.00 54.13 55.34 2azu s LEU 86 Cb -0.08 -2.77 -0.06 0.00 0.50 0.00 0.00 46.19 43.77 2azu s LEU 86 CO 0.50 -0.24 -0.01 0.27 -1.32 0.00 0.00 176.35 175.55 2azu s ILE 87 N 1.87 1.58 0.20 6.68 -4.36 -0.32 -4.91 121.20 121.94 2azu s ILE 87 Ca 0.25 -2.06 0.01 0.00 -0.26 0.00 0.00 60.65 58.58 2azu s ILE 87 Cb -0.16 -2.67 -0.00 0.00 1.25 0.00 0.00 42.46 40.88 2azu s ILE 87 CO 0.10 -0.14 0.02 0.61 0.24 0.00 0.00 174.94 175.76 2azu n GLY 88 N -0.69 3.88 2.67 6.27 0.00 -1.26 -0.74 105.19 115.31 2azu n GLY 88 Ca -0.04 -2.19 -0.46 0.00 0.00 0.00 0.00 46.02 43.33 2azu n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2azu n SER 89 N -1.34 0.12 0.00 1.61 2.88 -1.12 -1.74 113.62 114.04 2azu n SER 89 Ca -0.07 0.88 0.00 0.00 -1.33 0.00 0.00 58.87 58.35 2azu n SER 89 Cb 0.26 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 63.03 2azu n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2azu n GLY 90 N 1.40 2.08 4.00 0.46 0.00 0.29 -5.00 105.19 108.42 2azu n GLY 90 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.02 2.63 -0.06 1.61 2.02 -0.71 -4.89 118.70 119.29 2azu s GLU 91 Ca 0.00 -1.08 -0.12 0.00 0.02 0.00 0.00 54.97 53.79 2azu s GLU 91 Cb 0.00 -2.63 0.02 0.00 0.10 0.00 0.00 34.13 31.63 2azu s GLU 91 CO 0.00 -0.54 0.29 0.21 0.02 0.00 0.00 175.26 175.24 2azu s LYS 92 N -4.57 0.49 0.05 1.61 2.20 -1.26 -1.71 119.74 116.55 2azu s LYS 92 Ca 0.57 0.09 -0.15 0.00 -0.36 0.00 0.00 55.97 56.12 2azu s LYS 92 Cb -0.10 0.23 0.03 0.00 -1.51 0.00 0.00 37.83 36.47 2azu s LYS 92 CO 0.36 -0.11 0.34 0.34 -0.36 0.00 0.00 175.35 175.92 2azu s ASP 93 N -0.59 -0.17 0.06 1.43 2.15 -0.33 -5.00 116.67 114.22 2azu s ASP 93 Ca -0.07 -0.14 0.06 0.00 0.43 0.00 0.00 52.55 52.83 2azu s ASP 93 Cb -0.04 0.38 -0.03 0.00 -0.30 0.00 0.00 42.92 42.94 2azu s ASP 93 CO 0.02 -0.64 -0.16 -0.44 -0.17 0.00 0.00 175.17 173.78 2azu s SER 94 N -2.08 1.91 -0.01 -0.34 0.01 -1.26 -0.48 113.70 111.44 2azu s SER 94 Ca -0.05 -0.56 0.02 0.00 1.31 0.00 0.00 55.95 56.67 2azu s SER 94 Cb -0.01 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.13 2azu s SER 94 CO -0.03 0.01 -0.05 0.54 0.41 0.00 0.00 173.24 174.12 2azu s VAL 95 N -1.05 0.44 -0.13 3.43 0.11 -0.57 -4.90 120.40 117.74 2azu s VAL 95 Ca 0.02 -0.19 0.02 0.00 -2.93 0.00 0.00 61.98 58.90 2azu s VAL 95 Cb -0.09 -0.41 0.00 0.00 -1.53 0.00 0.00 36.38 34.35 2azu s VAL 95 CO 0.02 0.15 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.85 2azu s THR 96 N 0.19 2.30 0.16 5.04 2.01 -1.26 -0.70 115.64 123.37 2azu s THR 96 Ca -0.02 -0.92 0.05 0.00 0.31 0.00 0.00 61.69 61.12 2azu s THR 96 Cb -0.06 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 2azu s THR 96 CO -0.00 0.54 -0.12 0.72 -0.69 0.00 0.00 174.62 175.07 2azu s PHE 97 N 0.57 1.39 0.12 4.92 -0.71 0.38 -4.94 117.98 119.70 2azu s PHE 97 Ca -0.12 -0.68 -0.30 0.00 -1.04 0.00 0.00 56.93 54.79 2azu s PHE 97 Cb -0.17 -0.69 -0.06 0.00 -1.21 0.00 0.00 43.02 40.89 2azu s PHE 97 CO 0.04 0.16 1.05 -0.51 -1.34 0.00 0.00 175.22 174.61 2azu s ASP 98 N -3.08 7.34 0.36 1.98 1.01 -1.26 -1.28 116.67 121.75 2azu s ASP 98 Ca 0.17 1.92 0.27 0.00 0.71 0.00 0.00 52.55 55.61 2azu s ASP 98 Cb 0.00 -2.59 1.13 0.00 1.01 0.00 0.00 42.92 42.47 2azu s ASP 98 CO 0.02 -0.20 1.81 0.58 0.21 0.00 0.00 175.17 177.59 2azu h VAL 99 N 4.07 0.00 0.00 -1.27 2.07 -1.52 -1.90 116.25 117.71 2azu h VAL 99 Ca -0.43 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 66.77 2azu h VAL 99 Cb 1.21 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 2azu h VAL 99 CO 0.74 0.00 0.00 0.77 0.02 0.00 0.00 177.57 179.10 2azu h SER 100 N 0.00 0.00 0.16 0.57 4.64 -1.89 -1.29 113.55 115.74 2azu h SER 100 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2azu h SER 100 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 2azu h SER 100 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 2azu n LYS 101 N -2.57 0.75 -4.42 4.77 5.02 -0.71 -4.77 118.16 116.23 2azu n LYS 101 Ca -0.01 0.01 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 2azu n LYS 101 Cb 0.11 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.51 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 -2.17 2.76 0.06 -0.35 1.43 -0.49 -5.11 118.68 114.81 2azu s LEU 102 Ca 0.38 -0.46 0.09 0.00 -1.03 0.00 0.00 54.13 53.11 2azu s LEU 102 Cb 0.20 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.78 2azu s LEU 102 CO 0.36 0.21 -0.25 -0.75 0.23 0.00 0.00 176.35 176.15 2azu s LYS 103 N -1.88 1.59 0.25 1.70 2.20 -1.26 -5.04 119.74 117.30 2azu s LYS 103 Ca 0.17 -1.11 -0.30 0.00 -0.36 0.00 0.00 55.97 54.37 2azu s LYS 103 Cb -0.11 -1.81 -0.10 0.00 -1.51 0.00 0.00 37.83 34.30 2azu s LYS 103 CO 0.09 0.46 1.36 -2.00 -0.36 0.00 0.00 175.35 174.89 2azu s GLU 104 N -1.40 4.34 -0.47 4.03 2.56 -1.26 -3.53 118.70 122.96 2azu s GLU 104 Ca 0.11 2.18 -0.01 0.00 0.00 0.00 0.00 54.97 57.25 2azu s GLU 104 Cb -0.10 -3.13 0.00 0.00 2.00 0.00 0.00 34.13 32.90 2azu s GLU 104 CO 0.03 -0.29 0.07 0.41 -0.56 0.00 0.00 175.26 174.91 2azu n GLY 105 N 1.93 0.22 3.20 -1.50 0.00 -1.26 -5.03 105.19 102.74 2azu n GLY 105 Ca 0.05 -0.60 -0.25 0.00 0.00 0.00 0.00 46.02 45.22 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 -4.52 1.46 -0.14 1.61 2.12 -1.23 -5.13 118.70 112.87 2azu s GLU 106 Ca 0.03 -0.74 -0.16 0.00 0.36 0.00 0.00 54.97 54.47 2azu s GLU 106 Cb -0.02 -1.45 -0.04 0.00 0.26 0.00 0.00 34.13 32.88 2azu s GLU 106 CO 0.04 0.39 0.38 -0.65 -0.54 0.00 0.00 175.26 174.88 2azu s GLN 107 N -0.65 4.29 0.23 4.30 -0.21 -1.26 -4.85 119.66 121.50 2azu s GLN 107 Ca 0.07 0.27 0.10 0.00 0.02 0.00 0.00 55.36 55.82 2azu s GLN 107 Cb -0.08 -3.43 -0.04 0.00 1.00 0.00 0.00 33.01 30.46 2azu s GLN 107 CO -0.00 0.21 -0.11 0.71 -2.12 0.00 0.00 175.29 173.98 2azu s TYR 108 N 0.50 2.53 -0.01 0.91 2.02 -1.21 -0.64 117.35 121.45 2azu s TYR 108 Ca 0.21 -0.26 0.02 0.00 -0.37 0.00 0.00 57.07 56.67 2azu s TYR 108 Cb -0.14 -1.18 -0.00 0.00 -0.40 0.00 0.00 41.96 40.24 2azu s TYR 108 CO 0.07 0.58 -0.08 -1.64 -1.57 0.00 0.00 175.55 172.91 2azu s MET 109 N -3.17 0.75 0.09 -0.62 -1.94 -0.51 -1.62 119.30 112.27 2azu s MET 109 Ca 0.27 -0.28 0.05 0.00 -1.71 0.00 0.00 55.69 54.02 2azu s MET 109 Cb -0.07 -0.72 -0.04 0.00 2.01 0.00 0.00 34.83 36.01 2azu s MET 109 CO 0.16 0.14 -0.02 -0.59 -0.01 0.00 0.00 175.02 174.70 2azu s PHE 110 N -0.01 2.94 0.20 -0.03 -0.12 -0.36 -2.41 117.98 118.20 2azu s PHE 110 Ca 0.00 -0.05 -0.23 0.00 -0.05 0.00 0.00 56.93 56.60 2azu s PHE 110 Cb -0.05 -1.52 0.05 0.00 -0.63 0.00 0.00 43.02 40.86 2azu s PHE 110 CO -0.00 0.47 0.86 -0.59 -0.05 0.00 0.00 175.22 175.91 2azu s PHE 111 N -1.29 -0.15 -0.12 3.49 -0.71 -0.75 -1.22 117.98 117.22 2azu s PHE 111 Ca 0.25 -0.22 -0.04 0.00 -1.04 0.00 0.00 56.93 55.89 2azu s PHE 111 Cb -0.12 0.67 -0.03 0.00 -1.21 0.00 0.00 43.02 42.33 2azu s PHE 111 CO 0.17 -0.99 0.01 0.00 -1.34 0.00 0.00 175.22 173.07 2azu n THR 113 N 2.68 0.15 -1.73 0.00 -2.24 -1.26 -2.82 114.28 109.06 2azu n THR 113 Ca -0.18 -0.57 -0.42 0.00 -2.27 0.00 0.00 64.05 60.60 2azu n THR 113 Cb 0.53 1.32 -0.02 0.00 -2.10 0.00 0.00 70.33 70.07 2azu n THR 113 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2azu n PHE 114 N 1.29 2.66 -1.65 4.78 7.35 -1.26 -4.58 117.46 126.05 2azu n PHE 114 Ca 0.14 0.33 -0.55 0.00 -0.76 0.00 0.00 57.45 56.62 2azu n PHE 114 Cb 0.56 -2.55 -0.07 0.00 0.35 0.00 0.00 39.48 37.78 2azu n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 2azu n PRO 115 N 1.86 1.16 0.00 -7.13 -0.02 -1.26 -1.48 135.00 128.13 2azu n PRO 115 Ca 0.08 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2azu n PRO 115 Cb 0.36 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 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 3.33 2.49 0.08 -1.23 0.00 -1.26 -4.92 105.19 103.67 2azu n GLY 116 Ca 0.22 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 0.00 1.61 3.86 -1.53 -3.39 115.15 115.70 2azu h HIS 117 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 2azu h HIS 117 Cb 0.00 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 2azu h HIS 117 CO 0.00 0.94 -0.05 0.66 0.86 0.00 0.00 177.93 180.34 2azu h SER 118 N 0.00 0.00 0.79 2.45 4.64 -1.70 0.33 113.55 120.05 2azu h SER 118 Ca -0.20 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.11 2azu h SER 118 Cb 1.89 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.98 2azu h SER 118 CO 0.09 0.05 -0.09 0.00 -0.87 0.00 0.00 176.83 176.01 2azu h ALA 119 N 1.95 1.06 0.00 5.18 0.00 -1.90 -3.26 119.26 122.29 2azu h ALA 119 Ca -0.00 -0.08 -0.22 0.00 0.00 0.00 0.00 54.91 54.60 2azu h ALA 119 Cb 0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2azu h ALA 119 CO 0.01 0.12 -1.85 1.28 0.00 0.00 0.00 179.25 178.80 2azu n LEU 120 N -3.28 2.05 -4.37 0.00 4.77 -0.59 -4.86 117.00 110.71 2azu n LEU 120 Ca -0.00 -0.06 -0.45 0.00 -0.03 0.00 0.00 56.01 55.47 2azu n LEU 120 Cb 0.31 -0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 41.12 2azu n LEU 120 CO 0.29 0.61 0.80 -0.04 -1.33 0.00 0.00 177.39 177.72 2azu s MET 121 N -2.30 3.93 0.20 3.23 -1.94 0.11 -4.85 119.30 117.68 2azu s MET 121 Ca -0.16 -2.70 -0.19 0.00 -1.71 0.00 0.00 55.69 50.93 2azu s MET 121 Cb 0.05 -4.65 0.04 0.00 2.01 0.00 0.00 34.83 32.27 2azu s MET 121 CO 0.39 -1.41 0.57 -1.59 -0.01 0.00 0.00 175.02 172.97 2azu s LYS 122 N 0.14 1.43 0.14 2.03 0.00 -1.26 -1.98 119.74 120.24 2azu s LYS 122 Ca 0.29 -0.80 -0.24 0.00 0.00 0.00 0.00 55.97 55.22 2azu s LYS 122 Cb -0.08 0.55 0.08 0.00 0.00 0.00 0.00 37.83 38.38 2azu s LYS 122 CO -0.07 -0.62 1.09 0.20 0.00 0.00 0.00 175.35 175.95 2azu s GLY 123 N -2.86 0.04 0.01 0.59 0.00 -0.36 -4.80 107.32 99.95 2azu s GLY 123 Ca 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.59 2azu s GLY 123 CO -0.03 2.97 0.08 -0.51 0.00 0.00 0.00 173.10 175.60 2azu s THR 124 N -2.18 4.65 -0.03 0.90 -4.23 -0.48 -1.22 115.64 113.05 2azu s THR 124 Ca 0.23 -0.49 0.06 0.00 -1.18 0.00 0.00 61.69 60.31 2azu s THR 124 Cb -0.02 -3.14 -0.01 0.00 1.34 0.00 0.00 72.50 70.66 2azu s THR 124 CO 0.04 0.31 -0.22 -0.22 -0.54 0.00 0.00 174.62 173.99 2azu s LEU 125 N -1.85 2.03 0.06 4.79 0.20 -0.64 -0.36 118.68 122.90 2azu s LEU 125 Ca 0.24 -0.40 0.02 0.00 0.69 0.00 0.00 54.13 54.67 2azu s LEU 125 Cb -0.12 -1.14 -0.03 0.00 -0.43 0.00 0.00 46.19 44.47 2azu s LEU 125 CO 0.15 0.25 -0.07 0.28 -0.29 0.00 0.00 176.35 176.67 2azu s THR 126 N -0.38 0.56 -0.25 3.68 -1.32 -0.28 -3.29 115.64 114.36 2azu s THR 126 Ca 0.05 -1.42 -0.09 0.00 -1.21 0.00 0.00 61.69 59.03 2azu s THR 126 Cb -0.10 -1.03 -0.04 0.00 -1.51 0.00 0.00 72.50 69.83 2azu s THR 126 CO 0.00 -0.60 0.11 -0.22 -2.21 0.00 0.00 174.62 171.71 2azu s LEU 127 N -2.17 3.69 0.00 9.08 1.98 -1.26 -0.29 118.68 129.71 2azu s LEU 127 Ca -0.02 -0.10 0.00 0.00 -2.89 0.00 0.00 54.13 51.12 2azu s LEU 127 Cb -0.04 -2.00 0.00 0.00 0.66 0.00 0.00 46.19 44.82 2azu s LEU 127 CO -0.02 -0.01 0.41 2.29 -1.89 0.00 0.00 176.35 177.13