#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3azu n GLN 2 N 0.00 0.00 -1.70 0.00 -0.06 -1.26 -4.52 117.38 109.84 3azu n GLN 2 Ca 0.00 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.59 3azu n GLN 2 Cb 0.00 0.00 -0.01 0.00 -4.06 0.00 0.00 30.24 26.17 3azu n GLN 2 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3azu s SER 4 N 2.77 -0.52 0.01 0.00 1.04 -1.26 -1.47 113.70 114.26 3azu s SER 4 Ca 0.51 0.48 -0.02 0.00 0.48 0.00 0.00 55.95 57.39 3azu s SER 4 Cb 0.15 0.49 -0.01 0.00 0.10 0.00 0.00 66.02 66.74 3azu s SER 4 CO -0.08 -0.61 0.02 0.54 0.98 0.00 0.00 173.24 174.10 3azu s VAL 5 N -1.51 0.10 -0.15 5.02 0.11 0.23 -4.35 120.40 119.84 3azu s VAL 5 Ca -0.10 -0.79 0.01 0.00 -2.93 0.00 0.00 61.98 58.17 3azu s VAL 5 Cb -0.01 -0.30 0.02 0.00 -1.53 0.00 0.00 36.38 34.56 3azu s VAL 5 CO 0.06 -0.44 -0.18 -1.81 -3.33 0.00 0.00 175.10 169.41 3azu s ASP 6 N -1.35 2.85 0.03 3.54 1.11 -1.26 -0.54 116.67 121.06 3azu s ASP 6 Ca -0.15 -0.55 0.04 0.00 0.18 0.00 0.00 52.55 52.08 3azu s ASP 6 Cb -0.09 -1.30 -0.02 0.00 1.07 0.00 0.00 42.92 42.58 3azu s ASP 6 CO -0.00 -0.00 -0.13 -0.51 1.18 0.00 0.00 175.17 175.70 3azu s ILE 7 N 1.21 1.03 0.19 0.77 2.07 0.71 -4.94 121.20 122.25 3azu s ILE 7 Ca 0.01 -0.95 0.11 0.00 -1.41 0.00 0.00 60.65 58.40 3azu s ILE 7 Cb -0.14 -0.94 -0.04 0.00 0.13 0.00 0.00 42.46 41.47 3azu s ILE 7 CO -0.08 -0.01 -0.19 -1.10 -1.91 0.00 0.00 174.94 171.65 3azu s GLN 8 N -1.09 1.69 -0.13 3.50 -0.21 -1.26 -1.66 119.66 120.50 3azu s GLN 8 Ca 0.01 -1.46 -0.01 0.00 0.02 0.00 0.00 55.36 53.91 3azu s GLN 8 Cb -0.08 -1.93 0.04 0.00 1.00 0.00 0.00 33.01 32.04 3azu s GLN 8 CO 0.01 0.41 -0.02 0.20 -2.12 0.00 0.00 175.29 173.76 3azu s GLY 9 N -2.77 0.73 0.57 3.09 0.00 -1.17 -0.39 107.32 107.39 3azu s GLY 9 Ca 0.22 -0.53 -0.02 0.00 0.00 0.00 0.00 44.72 44.39 3azu s GLY 9 CO 0.12 1.08 0.84 0.54 0.00 0.00 0.00 173.10 175.67 3azu s ASN 10 N 1.80 5.35 0.00 1.64 6.03 -0.03 -4.05 114.94 125.69 3azu s ASN 10 Ca 0.02 0.33 0.02 0.00 -1.03 0.00 0.00 52.86 52.20 3azu s ASN 10 Cb -0.14 -1.25 0.13 0.00 -3.03 0.00 0.00 41.25 36.95 3azu s ASN 10 CO -0.07 -1.14 0.82 0.47 -2.03 0.00 0.00 177.10 175.15 3azu n ASP 11 N -2.48 0.00 -1.97 3.54 8.00 -1.26 -1.58 116.55 120.79 3azu n ASP 11 Ca 0.06 0.16 -0.20 0.00 0.71 0.00 0.00 54.79 55.52 3azu n ASP 11 Cb 0.59 -0.21 0.18 0.00 -0.02 0.00 0.00 41.12 41.66 3azu n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3azu n GLN 12 N -1.21 2.18 -3.91 -1.24 6.02 -1.26 -4.96 117.38 113.01 3azu n GLN 12 Ca 0.01 -3.09 -0.29 0.00 -0.01 0.00 0.00 57.00 53.63 3azu n GLN 12 Cb 0.02 -2.10 0.02 0.00 1.02 0.00 0.00 30.24 29.20 3azu n GLN 12 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 3azu n MET 13 N -1.13 -4.97 -4.44 -1.09 2.81 -0.62 -4.98 117.12 102.70 3azu n MET 13 Ca 0.53 0.56 -0.23 0.00 -1.81 0.00 0.00 57.70 56.76 3azu n MET 13 Cb 1.46 -5.30 -0.16 0.00 -0.71 0.00 0.00 33.22 28.50 3azu n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3azu s GLN 14 N -6.52 1.40 0.50 0.03 -0.21 -1.24 -4.12 119.66 109.50 3azu s GLN 14 Ca 0.48 -0.31 -0.18 0.00 0.02 0.00 0.00 55.36 55.38 3azu s GLN 14 Cb -0.24 -1.21 -0.08 0.00 1.00 0.00 0.00 33.01 32.47 3azu s GLN 14 CO 0.84 -0.01 0.98 -0.06 -2.12 0.00 0.00 175.29 174.93 3azu s PHE 15 N 0.74 3.37 -2.11 0.91 0.08 -1.26 -0.85 117.98 118.86 3azu s PHE 15 Ca -0.14 1.51 0.21 0.00 0.12 0.00 0.00 56.93 58.63 3azu s PHE 15 Cb -0.15 -2.83 1.07 0.00 -0.57 0.00 0.00 43.02 40.53 3azu s PHE 15 CO 0.03 -0.37 1.71 0.27 -0.10 0.00 0.00 175.22 176.76 3azu n ASN 16 N -1.35 0.60 -3.78 1.36 6.94 0.48 -4.79 115.26 114.71 3azu n ASN 16 Ca 0.07 -1.47 -0.13 0.00 -0.02 0.00 0.00 54.58 53.03 3azu n ASN 16 Cb 0.54 -0.03 -0.10 0.00 -2.36 0.00 0.00 39.78 37.82 3azu n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3azu s THR 17 N -1.94 0.02 -0.85 5.53 -1.32 -1.26 -4.97 115.64 110.85 3azu s THR 17 Ca 0.32 -0.20 0.23 0.00 -1.21 0.00 0.00 61.69 60.83 3azu s THR 17 Cb 0.16 -0.46 -0.12 0.00 -1.51 0.00 0.00 72.50 70.56 3azu s THR 17 CO 0.25 -0.11 1.09 0.59 -2.21 0.00 0.00 174.62 174.23 3azu n ASN 18 N 2.34 0.70 -3.75 8.08 3.02 -1.26 -4.78 115.26 119.60 3azu n ASN 18 Ca -0.16 -0.49 -0.13 0.00 -0.03 0.00 0.00 54.58 53.76 3azu n ASN 18 Cb 0.57 0.73 -0.10 0.00 -0.61 0.00 0.00 39.78 40.37 3azu n ASN 18 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3azu s ALA 19 N -3.07 -0.86 -0.03 5.41 0.00 -1.26 -0.85 121.76 121.09 3azu s ALA 19 Ca 0.07 0.88 0.01 0.00 0.00 0.00 0.00 51.96 52.92 3azu s ALA 19 Cb 0.16 -0.46 0.02 0.00 0.00 0.00 0.00 23.12 22.84 3azu s ALA 19 CO 0.80 -0.19 -0.04 0.42 0.00 0.00 0.00 175.76 176.75 3azu s ILE 20 N -0.10 0.47 -0.17 0.00 1.01 0.21 -4.94 121.20 117.67 3azu s ILE 20 Ca -0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 60.65 60.49 3azu s ILE 20 Cb -0.03 -0.49 -0.02 0.00 0.01 0.00 0.00 42.46 41.94 3azu s ILE 20 CO 0.01 0.20 -0.07 -0.89 0.00 0.00 0.00 174.94 174.19 3azu s THR 21 N 0.75 3.43 -0.24 2.92 2.01 -1.26 -1.18 115.64 122.08 3azu s THR 21 Ca -0.10 -0.51 -0.03 0.00 0.31 0.00 0.00 61.69 61.37 3azu s THR 21 Cb -0.13 -2.50 0.01 0.00 0.01 0.00 0.00 72.50 69.89 3azu s THR 21 CO -0.00 0.48 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.68 3azu s VAL 22 N 0.72 3.16 0.18 3.82 1.01 0.28 -4.96 120.40 124.61 3azu s VAL 22 Ca -0.03 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 60.89 3azu s VAL 22 Cb -0.15 -2.52 -0.08 0.00 0.00 0.00 0.00 36.38 33.63 3azu s VAL 22 CO 0.02 0.30 1.29 -0.62 0.00 0.00 0.00 175.10 176.10 3azu s ASP 23 N 1.41 6.93 0.59 3.32 2.15 -1.26 -0.68 116.67 129.12 3azu s ASP 23 Ca 0.03 2.35 0.28 0.00 0.43 0.00 0.00 52.55 55.65 3azu s ASP 23 Cb -0.15 -2.61 1.61 0.00 -0.30 0.00 0.00 42.92 41.47 3azu s ASP 23 CO -0.04 -0.51 2.06 0.50 -0.17 0.00 0.00 175.17 177.02 3azu h LYS 24 N 5.54 0.00 0.00 4.34 1.63 -1.91 -2.66 116.57 123.51 3azu h LYS 24 Ca -0.44 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 3azu h LYS 24 Cb 1.21 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 3azu h LYS 24 CO 0.78 0.00 0.00 0.43 -3.45 0.00 0.00 179.45 177.21 3azu n SER 25 N -3.81 0.08 -4.73 4.20 7.64 -1.26 -4.78 113.62 110.96 3azu n SER 25 Ca 0.03 0.52 -0.41 0.00 1.01 0.00 0.00 58.87 60.02 3azu n SER 25 Cb 0.39 -0.54 -0.04 0.00 -1.01 0.00 0.00 64.21 63.01 3azu n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3azu h LYS 27 N 5.56 0.60 -4.36 0.00 6.56 -1.91 -3.42 116.57 119.60 3azu h LYS 27 Ca -0.43 -0.37 -0.18 0.00 -1.06 0.00 0.00 60.65 58.61 3azu h LYS 27 Cb 1.21 0.04 -0.14 0.00 -0.57 0.00 0.00 32.23 32.77 3azu h LYS 27 CO 0.72 0.98 -0.56 1.14 -2.06 0.00 0.00 179.45 179.67 3azu s GLN 28 N -4.12 1.08 0.03 3.15 -2.07 -1.26 -1.58 119.66 114.90 3azu s GLN 28 Ca -0.13 -1.45 0.04 0.00 -1.82 0.00 0.00 55.36 52.00 3azu s GLN 28 Cb 0.07 0.28 -0.02 0.00 -1.09 0.00 0.00 33.01 32.25 3azu s GLN 28 CO 0.82 -0.35 -0.11 0.12 -1.32 0.00 0.00 175.29 174.45 3azu s PHE 29 N -4.07 0.96 -0.04 9.60 5.36 0.02 -4.77 117.98 125.04 3azu s PHE 29 Ca 0.28 -0.36 0.05 0.00 -0.96 0.00 0.00 56.93 55.94 3azu s PHE 29 Cb 0.06 -0.57 -0.01 0.00 -0.34 0.00 0.00 43.02 42.17 3azu s PHE 29 CO 0.05 -0.00 -0.18 0.99 -1.46 0.00 0.00 175.22 174.62 3azu s THR 30 N -0.90 1.49 -0.09 0.12 2.01 -0.54 -0.95 115.64 116.78 3azu s THR 30 Ca -0.02 -0.76 0.03 0.00 0.31 0.00 0.00 61.69 61.25 3azu s THR 30 Cb -0.08 -1.27 -0.02 0.00 0.01 0.00 0.00 72.50 71.15 3azu s THR 30 CO 0.01 0.43 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.50 3azu s VAL 31 N -0.04 2.73 -0.27 3.82 1.01 -0.53 -0.61 120.40 126.51 3azu s VAL 31 Ca -0.02 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.18 3azu s VAL 31 Cb -0.11 -2.09 0.07 0.00 0.00 0.00 0.00 36.38 34.25 3azu s VAL 31 CO 0.02 0.56 -0.08 0.20 0.00 0.00 0.00 175.10 175.80 3azu s ASN 32 N -0.05 4.48 -0.03 3.32 0.01 0.29 -1.36 114.94 121.60 3azu s ASN 32 Ca -0.04 -1.52 -0.09 0.00 -0.71 0.00 0.00 52.86 50.49 3azu s ASN 32 Cb -0.14 -1.55 -0.05 0.00 0.41 0.00 0.00 41.25 39.92 3azu s ASN 32 CO 0.04 -0.23 0.27 -0.22 -1.51 0.00 0.00 177.10 175.46 3azu s LEU 33 N 1.08 4.41 -0.01 0.60 2.96 0.34 -0.21 118.68 127.85 3azu s LEU 33 Ca -0.05 0.66 0.03 0.00 -0.22 0.00 0.00 54.13 54.55 3azu s LEU 33 Cb -0.20 -2.46 -0.01 0.00 0.50 0.00 0.00 46.19 44.03 3azu s LEU 33 CO -0.06 0.32 -0.10 -0.44 -1.32 0.00 0.00 176.35 174.76 3azu s SER 34 N -1.29 1.18 -0.48 3.68 0.01 -0.66 -0.63 113.70 115.51 3azu s SER 34 Ca 0.22 -0.18 -0.03 0.00 1.31 0.00 0.00 55.95 57.27 3azu s SER 34 Cb -0.14 -0.13 0.13 0.00 0.21 0.00 0.00 66.02 66.08 3azu s SER 34 CO 0.11 0.12 0.29 -1.58 0.41 0.00 0.00 173.24 172.59 3azu s GLN 35 N -0.23 2.22 -0.16 12.44 -0.44 -0.93 -3.06 119.66 129.50 3azu s GLN 35 Ca 0.04 -2.03 -0.02 0.00 -2.50 0.00 0.00 55.36 50.86 3azu s GLN 35 Cb -0.04 -3.66 0.04 0.00 -1.64 0.00 0.00 33.01 27.71 3azu s GLN 35 CO -0.00 -1.12 2.34 -0.35 0.50 0.00 0.00 175.29 176.66 3azu n PRO 36 N 4.30 1.58 -4.66 1.67 -0.04 -1.26 -0.28 135.00 136.32 3azu n PRO 36 Ca 0.00 -0.95 -0.30 0.00 -0.04 0.00 0.00 63.50 62.22 3azu n PRO 36 Cb 0.40 -1.49 -0.08 0.00 -0.04 0.00 0.00 33.50 32.30 3azu n PRO 36 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3azu s GLY 37 N 1.20 2.88 0.01 0.55 0.00 -1.26 -4.90 107.32 105.80 3azu s GLY 37 Ca 0.27 -0.68 0.23 0.00 0.00 0.00 0.00 44.72 44.54 3azu s GLY 37 CO -0.03 -2.04 1.04 0.70 0.00 0.00 0.00 173.10 172.77 3azu n ASN 38 N -1.32 0.70 -4.83 1.64 3.02 -1.26 -3.48 115.26 109.73 3azu n ASN 38 Ca -0.14 -0.51 -0.38 0.00 -0.03 0.00 0.00 54.58 53.52 3azu n ASN 38 Cb 0.66 0.81 -0.06 0.00 -0.61 0.00 0.00 39.78 40.58 3azu n ASN 38 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3azu s LEU 39 N -3.38 4.47 0.74 3.41 1.43 -1.26 -4.85 118.68 119.24 3azu s LEU 39 Ca 0.06 1.11 -0.11 0.00 -1.03 0.00 0.00 54.13 54.16 3azu s LEU 39 Cb 0.16 -2.87 0.04 0.00 0.03 0.00 0.00 46.19 43.55 3azu s LEU 39 CO 0.81 0.25 1.09 -2.16 0.23 0.00 0.00 176.35 176.58 3azu s PRO 40 N -1.30 2.54 0.27 1.29 0.04 -1.26 -2.38 135.00 134.20 3azu s PRO 40 Ca 0.29 0.59 -0.01 0.00 0.04 0.00 0.00 61.00 61.91 3azu s PRO 40 Cb -0.17 -1.97 0.58 0.00 0.04 0.00 0.00 34.50 32.97 3azu s PRO 40 CO 0.17 -1.29 1.68 -0.22 0.04 0.00 0.00 177.00 177.38 3azu h LYS 41 N -0.85 0.29 0.00 4.56 3.64 -1.89 -0.29 116.57 122.03 3azu h LYS 41 Ca -0.46 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3azu h LYS 41 Cb 1.25 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3azu h LYS 41 CO 0.61 0.19 0.00 -2.95 -2.27 0.00 0.00 179.45 175.03 3azu h ASN 42 N 0.30 0.00 0.00 4.20 -1.07 -1.93 -0.25 115.58 116.82 3azu h ASN 42 Ca 0.48 0.00 -0.35 0.00 0.07 0.00 0.00 56.30 56.51 3azu h ASN 42 Cb 0.88 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 37.08 3azu h ASN 42 CO -0.55 0.00 -2.15 0.52 0.07 0.00 0.00 177.43 175.33 3azu n VAL 43 N -2.74 1.50 -2.04 6.14 0.31 -0.26 -4.77 118.33 116.47 3azu n VAL 43 Ca 0.02 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 3azu n VAL 43 Cb 0.34 -1.99 0.11 0.00 -0.91 0.00 0.00 33.84 31.40 3azu n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 3azu n MET 44 N -4.28 1.48 -1.81 5.55 0.00 -0.37 -5.04 117.12 112.67 3azu n MET 44 Ca -0.44 -3.10 -0.39 0.00 -0.00 0.00 0.00 57.70 53.77 3azu n MET 44 Cb 0.79 -1.27 0.02 0.00 0.00 0.00 0.00 33.22 32.76 3azu n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3azu s GLY 45 N -3.00 2.91 0.11 -5.12 0.00 -0.11 -4.85 107.32 97.26 3azu s GLY 45 Ca 0.38 1.42 0.04 0.00 0.00 0.00 0.00 44.72 46.56 3azu s GLY 45 CO -0.08 2.00 -0.11 0.30 0.00 0.00 0.00 173.10 175.21 3azu s HIS 46 N -1.24 1.18 0.16 1.90 3.76 -0.67 -4.72 115.29 115.66 3azu s HIS 46 Ca 0.64 -0.64 -0.05 0.00 -0.15 0.00 0.00 55.06 54.86 3azu s HIS 46 Cb -0.42 -0.63 -0.03 0.00 1.11 0.00 0.00 32.58 32.61 3azu s HIS 46 CO 0.53 0.05 0.17 0.54 -0.85 0.00 0.00 174.74 175.18 3azu s ASN 47 N -2.56 0.17 -0.21 1.40 2.20 -1.26 -1.28 114.94 113.41 3azu s ASN 47 Ca 0.08 -1.09 0.00 0.00 -0.94 0.00 0.00 52.86 50.92 3azu s ASN 47 Cb -0.03 0.37 0.02 0.00 -2.00 0.00 0.00 41.25 39.62 3azu s ASN 47 CO 0.01 -0.82 -0.14 0.86 -2.94 0.00 0.00 177.10 174.06 3azu s TRP 48 N -4.03 2.91 0.08 1.54 -0.00 -1.26 -3.80 118.94 114.38 3azu s TRP 48 Ca 0.23 -1.62 0.10 0.00 -0.00 0.00 0.00 56.10 54.81 3azu s TRP 48 Cb 0.05 -1.97 -0.03 0.00 -0.00 0.00 0.00 33.47 31.52 3azu s TRP 48 CO 0.02 -0.77 -0.26 0.08 -0.00 0.00 0.00 176.95 176.02 3azu s VAL 49 N 1.30 2.22 -0.06 5.86 1.01 0.60 -1.17 120.40 130.17 3azu s VAL 49 Ca 0.03 -1.54 0.02 0.00 0.00 0.00 0.00 61.98 60.49 3azu s VAL 49 Cb -0.15 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.33 3azu s VAL 49 CO -0.09 0.25 -0.11 -0.22 0.00 0.00 0.00 175.10 174.92 3azu s LEU 50 N -1.59 1.65 0.26 3.92 2.96 -0.62 -1.28 118.68 123.98 3azu s LEU 50 Ca 0.13 -0.27 -0.05 0.00 -0.22 0.00 0.00 54.13 53.71 3azu s LEU 50 Cb -0.10 -0.77 -0.02 0.00 0.50 0.00 0.00 46.19 45.81 3azu s LEU 50 CO 0.04 0.04 0.36 -0.94 -1.32 0.00 0.00 176.35 174.53 3azu s SER 51 N 0.58 0.33 0.70 3.68 1.04 -0.82 -0.55 113.70 118.65 3azu s SER 51 Ca -0.12 -1.25 -0.15 0.00 0.48 0.00 0.00 55.95 54.91 3azu s SER 51 Cb -0.14 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.53 3azu s SER 51 CO 0.03 -1.08 1.15 0.42 0.98 0.00 0.00 173.24 174.74 3azu s THR 52 N -3.79 2.81 0.35 2.02 -4.23 -1.26 -1.05 115.64 110.49 3azu s THR 52 Ca 0.31 0.38 0.06 0.00 -1.18 0.00 0.00 61.69 61.26 3azu s THR 52 Cb 0.02 -2.91 0.30 0.00 1.34 0.00 0.00 72.50 71.25 3azu s THR 52 CO 0.14 -0.23 1.93 0.00 -0.54 0.00 0.00 174.62 175.92 3azu h ALA 53 N -0.15 1.70 -0.03 3.99 0.00 -1.01 -2.13 119.26 121.63 3azu h ALA 53 Ca -0.47 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 3azu h ALA 53 Cb 1.27 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3azu h ALA 53 CO 0.52 0.14 -0.21 0.00 0.00 0.00 0.00 179.25 179.71 3azu h ALA 54 N 1.59 1.60 0.00 0.00 0.00 -1.92 -3.18 119.26 117.34 3azu h ALA 54 Ca 0.36 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3azu h ALA 54 Cb 0.37 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3azu h ALA 54 CO -0.14 0.30 -0.52 -0.25 0.00 0.00 0.00 179.25 178.64 3azu n ASP 55 N -4.27 0.51 -0.01 0.00 8.00 -0.81 -4.49 116.55 115.49 3azu n ASP 55 Ca -0.02 -0.21 -0.10 0.00 0.71 0.00 0.00 54.79 55.17 3azu n ASP 55 Cb 0.28 0.25 -0.04 0.00 -0.02 0.00 0.00 41.12 41.59 3azu n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 3azu h MET 56 N 0.00 -0.05 -0.92 -1.24 4.05 -1.51 -1.86 114.93 113.39 3azu h MET 56 Ca 0.00 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.46 3azu h MET 56 Cb 0.52 0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.28 3azu h MET 56 CO 0.00 -0.03 0.60 1.96 0.23 0.00 0.00 176.91 179.67 3azu h GLN 57 N -0.05 1.11 -0.05 0.39 1.08 -1.81 -0.74 115.11 115.03 3azu h GLN 57 Ca 0.07 -0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3azu h GLN 57 Cb 0.15 -0.25 -0.00 0.00 -0.05 0.00 0.00 27.48 27.33 3azu h GLN 57 CO -0.15 0.74 0.03 0.78 -0.95 0.00 0.00 178.83 179.27 3azu h GLY 58 N 1.14 0.08 0.70 3.46 0.00 -1.74 -1.41 103.07 105.31 3azu h GLY 58 Ca 0.37 -0.03 0.04 0.00 0.00 0.00 0.00 47.33 47.71 3azu h GLY 58 CO -0.11 0.03 0.15 -2.08 0.00 0.00 0.00 176.54 174.52 3azu h VAL 59 N 0.04 0.91 0.05 4.60 2.07 -0.48 -1.07 116.25 122.37 3azu h VAL 59 Ca 0.02 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 3azu h VAL 59 Cb 0.03 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3azu h VAL 59 CO -0.00 0.06 -0.02 0.58 0.02 0.00 0.00 177.57 178.20 3azu h VAL 60 N 0.31 0.98 0.39 2.57 2.07 -1.12 0.30 116.25 121.75 3azu h VAL 60 Ca 0.17 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 3azu h VAL 60 Cb 0.13 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3azu h VAL 60 CO -0.16 0.02 -0.19 0.74 0.02 0.00 0.00 177.57 178.01 3azu h THR 61 N -0.11 0.62 0.00 2.57 2.02 -0.96 0.12 112.91 117.18 3azu h THR 61 Ca -0.01 -0.04 -0.04 0.00 0.77 0.00 0.00 66.41 67.09 3azu h THR 61 Cb 0.09 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 3azu h THR 61 CO 0.01 0.01 -0.18 0.44 0.37 0.00 0.00 175.52 176.17 3azu h ASP 62 N -0.55 0.00 -0.05 4.18 3.32 -1.23 -2.85 116.42 119.25 3azu h ASP 62 Ca -0.05 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 3azu h ASP 62 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3azu h ASP 62 CO 0.09 0.18 -0.09 1.23 -1.72 0.00 0.00 179.24 178.92 3azu h GLY 63 N 1.02 0.16 -0.08 2.75 0.00 -0.06 -3.02 103.07 103.85 3azu h GLY 63 Ca -0.00 -0.19 0.11 0.00 0.00 0.00 0.00 47.33 47.25 3azu h GLY 63 CO 0.02 0.17 -0.14 1.98 0.00 0.00 0.00 176.54 178.57 3azu h MET 64 N -0.37 -0.01 0.00 4.80 -1.53 -0.75 0.24 114.93 117.30 3azu h MET 64 Ca 0.00 0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.25 3azu h MET 64 Cb 0.68 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.73 3azu h MET 64 CO 0.02 -0.01 -0.08 0.00 0.14 0.00 0.00 176.91 176.98 3azu h ALA 65 N 1.49 1.22 0.00 0.39 0.00 -1.57 -3.20 119.26 117.59 3azu h ALA 65 Ca 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3azu h ALA 65 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3azu h ALA 65 CO -0.55 0.10 0.00 0.77 0.00 0.00 0.00 179.25 179.57 3azu h SER 66 N 0.00 0.00 -4.26 0.00 0.02 -0.80 -3.49 113.55 105.01 3azu h SER 66 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3azu h SER 66 Cb 0.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 3azu h SER 66 CO 0.01 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.31 3azu n GLY 67 N 0.27 -1.36 0.22 -3.77 0.00 -1.21 -4.20 105.19 95.14 3azu n GLY 67 Ca 0.02 -1.54 -0.03 0.00 0.00 0.00 0.00 46.02 44.46 3azu n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3azu h LEU 68 N 0.00 0.39 -2.19 0.99 6.46 -1.93 -0.68 115.31 118.35 3azu h LEU 68 Ca 0.00 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 3azu h LEU 68 Cb 0.00 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 39.90 3azu h LEU 68 CO 0.00 0.26 0.00 -2.24 -0.62 0.00 0.00 178.44 175.84 3azu h ASP 69 N 0.53 0.00 -0.65 1.25 2.03 -2.01 0.63 116.42 118.21 3azu h ASP 69 Ca 0.26 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.56 3azu h ASP 69 Cb 0.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.69 3azu h ASP 69 CO -0.19 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.31 3azu n LYS 70 N -2.86 3.25 -2.49 4.15 4.01 -0.39 -4.91 118.16 118.92 3azu n LYS 70 Ca -0.02 -2.64 -0.18 0.00 -0.51 0.00 0.00 58.31 54.97 3azu n LYS 70 Cb 0.13 -1.75 -0.00 0.00 -0.51 0.00 0.00 35.03 32.89 3azu n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 3azu n ASP 71 N 1.24 -5.06 -3.92 4.39 8.00 0.21 -2.10 116.55 119.30 3azu n ASP 71 Ca 0.24 0.04 -0.26 0.00 0.71 0.00 0.00 54.79 55.52 3azu n ASP 71 Cb 0.76 -4.23 -0.01 0.00 -0.02 0.00 0.00 41.12 37.62 3azu n ASP 71 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3azu n TYR 72 N -3.80 -1.77 -3.77 1.24 4.01 -0.47 -4.75 117.16 107.85 3azu n TYR 72 Ca -0.19 0.79 -0.13 0.00 -0.16 0.00 0.00 57.90 58.20 3azu n TYR 72 Cb 0.65 -3.83 -0.14 0.00 -0.31 0.00 0.00 39.34 35.71 3azu n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3azu s LEU 73 N -6.96 0.99 0.06 7.72 1.43 -0.89 -4.17 118.68 116.85 3azu s LEU 73 Ca 0.13 0.28 -0.30 0.00 -1.03 0.00 0.00 54.13 53.21 3azu s LEU 73 Cb -0.07 0.38 -0.08 0.00 0.03 0.00 0.00 46.19 46.45 3azu s LEU 73 CO 0.87 -0.11 1.71 -0.75 0.23 0.00 0.00 176.35 178.29 3azu s LYS 74 N 0.80 4.18 0.14 1.70 2.20 -1.26 -4.82 119.74 122.68 3azu s LYS 74 Ca -0.06 2.37 -0.33 0.00 -0.36 0.00 0.00 55.97 57.59 3azu s LYS 74 Cb -0.08 -3.71 -0.13 0.00 -1.51 0.00 0.00 37.83 32.41 3azu s LYS 74 CO -0.04 -0.78 1.68 -0.35 -0.36 0.00 0.00 175.35 175.50 3azu n PRO 75 N 6.01 2.37 -3.41 4.03 -0.04 -1.26 -2.26 135.00 140.43 3azu n PRO 75 Ca 0.17 0.86 -0.20 0.00 -0.04 0.00 0.00 63.50 64.29 3azu n PRO 75 Cb 0.41 -2.67 0.07 0.00 -0.04 0.00 0.00 33.50 31.27 3azu n PRO 75 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3azu n ASP 76 N 4.22 -5.16 -4.59 3.54 2.03 -1.26 -4.91 116.55 110.43 3azu n ASP 76 Ca 0.18 -0.48 -0.42 0.00 0.52 0.00 0.00 54.79 54.59 3azu n ASP 76 Cb 0.31 -4.44 -0.03 0.00 -0.72 0.00 0.00 41.12 36.25 3azu n ASP 76 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3azu s ASP 77 N -3.43 5.96 0.66 1.67 -1.08 -0.96 -4.86 116.67 114.63 3azu s ASP 77 Ca 0.42 0.75 0.37 0.00 -0.52 0.00 0.00 52.55 53.57 3azu s ASP 77 Cb -0.19 -2.54 1.99 0.00 -1.46 0.00 0.00 42.92 40.73 3azu s ASP 77 CO 0.63 -1.75 2.12 0.77 0.52 0.00 0.00 175.17 177.46 3azu h SER 78 N 12.19 0.00 1.47 -0.34 4.64 -1.91 -1.54 113.55 128.07 3azu h SER 78 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3azu h SER 78 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3azu h SER 78 CO 1.12 0.00 -0.17 0.03 -0.87 0.00 0.00 176.83 176.93 3azu h ARG 79 N 0.00 0.00 -6.27 4.77 3.08 -1.98 -3.43 114.38 110.55 3azu h ARG 79 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 3azu h ARG 79 Cb 0.36 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.31 3azu h ARG 79 CO 0.00 0.00 0.67 0.08 -1.07 0.00 0.00 179.97 179.65 3azu s VAL 80 N -3.16 4.39 0.13 2.04 1.01 -0.58 -4.56 120.40 119.67 3azu s VAL 80 Ca 0.08 0.81 -0.14 0.00 0.00 0.00 0.00 61.98 62.73 3azu s VAL 80 Cb 0.10 -4.50 -0.01 0.00 0.00 0.00 0.00 36.38 31.98 3azu s VAL 80 CO 0.65 -0.92 1.61 0.40 0.00 0.00 0.00 175.10 176.83 3azu h ILE 81 N 6.12 1.25 -2.55 2.22 2.04 -1.11 -3.47 117.51 122.00 3azu h ILE 81 Ca -0.24 -0.91 0.01 0.00 1.00 0.00 0.00 64.86 64.72 3azu h ILE 81 Cb 1.07 1.01 -0.15 0.00 -0.74 0.00 0.00 36.82 38.01 3azu h ILE 81 CO 1.06 0.32 0.30 0.00 0.00 0.00 0.00 178.15 179.83 3azu s ALA 82 N -5.15 -1.71 0.06 1.87 0.00 -1.24 -5.01 121.76 110.58 3azu s ALA 82 Ca -0.13 0.84 -0.26 0.00 0.00 0.00 0.00 51.96 52.40 3azu s ALA 82 Cb 0.10 0.52 0.08 0.00 0.00 0.00 0.00 23.12 23.82 3azu s ALA 82 CO 0.79 -0.65 0.69 -3.38 0.00 0.00 0.00 175.76 173.21 3azu s HIS 83 N -2.98 -0.53 0.26 0.00 -3.43 -1.26 -1.59 115.29 105.76 3azu s HIS 83 Ca -0.00 0.53 0.01 0.00 -0.80 0.00 0.00 55.06 54.80 3azu s HIS 83 Cb -0.01 0.51 0.05 0.00 -1.43 0.00 0.00 32.58 31.70 3azu s HIS 83 CO -0.07 -0.71 0.36 0.25 -2.00 0.00 0.00 174.74 172.57 3azu n THR 84 N 0.04 0.00 -2.19 -5.38 -2.24 -0.31 -4.79 114.28 99.39 3azu n THR 84 Ca -0.16 -0.63 -0.27 0.00 -2.27 0.00 0.00 64.05 60.73 3azu n THR 84 Cb 0.62 -1.10 0.11 0.00 -2.10 0.00 0.00 70.33 67.86 3azu n THR 84 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3azu s LYS 85 N -3.30 1.63 -0.14 -0.78 1.02 -1.26 -4.73 119.74 112.17 3azu s LYS 85 Ca 0.24 -0.47 -0.21 0.00 0.02 0.00 0.00 55.97 55.55 3azu s LYS 85 Cb -0.02 -2.10 -0.03 0.00 -0.52 0.00 0.00 37.83 35.16 3azu s LYS 85 CO 0.16 -1.64 0.63 -1.17 -0.92 0.00 0.00 175.35 172.41 3azu s LEU 86 N -5.42 4.22 0.42 3.17 2.96 -1.26 -4.45 118.68 118.32 3azu s LEU 86 Ca 0.65 0.95 0.04 0.00 -0.22 0.00 0.00 54.13 55.55 3azu s LEU 86 Cb -0.08 -2.92 -0.05 0.00 0.50 0.00 0.00 46.19 43.64 3azu s LEU 86 CO 0.47 -0.18 0.03 0.27 -1.32 0.00 0.00 176.35 175.62 3azu s ILE 87 N 1.37 1.38 0.00 6.68 -4.36 -0.40 -4.91 121.20 120.96 3azu s ILE 87 Ca 0.31 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.70 3azu s ILE 87 Cb -0.16 -2.61 0.00 0.00 1.25 0.00 0.00 42.46 40.93 3azu s ILE 87 CO 0.13 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.92 3azu n GLY 88 N -0.99 4.29 0.37 6.27 0.00 -1.26 -1.67 105.19 112.20 3azu n GLY 88 Ca -0.09 -1.72 -0.07 0.00 0.00 0.00 0.00 46.02 44.14 3azu n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3azu n SER 89 N -2.27 0.11 0.00 1.61 3.41 -1.00 -1.56 113.62 113.92 3azu n SER 89 Ca 0.00 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 3azu n SER 89 Cb 0.00 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 3azu n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3azu n GLY 90 N 0.54 0.32 3.92 5.00 0.00 0.62 -4.95 105.19 110.64 3azu n GLY 90 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 3azu n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3azu s GLU 91 N -0.78 2.24 0.03 1.61 2.02 -0.60 -4.87 118.70 118.36 3azu s GLU 91 Ca 0.00 -0.13 -0.03 0.00 0.02 0.00 0.00 54.97 54.83 3azu s GLU 91 Cb 0.00 -2.13 -0.02 0.00 0.10 0.00 0.00 34.13 32.08 3azu s GLU 91 CO 0.00 -1.26 0.03 0.15 0.02 0.00 0.00 175.26 174.21 3azu s LYS 92 N -5.30 0.51 -0.20 1.61 -0.14 -1.26 -2.19 119.74 112.78 3azu s LYS 92 Ca 0.60 -0.80 -0.27 0.00 -1.36 0.00 0.00 55.97 54.14 3azu s LYS 92 Cb -0.11 0.19 0.07 0.00 -1.68 0.00 0.00 37.83 36.31 3azu s LYS 92 CO 0.46 -0.11 0.73 0.34 -0.76 0.00 0.00 175.35 176.01 3azu s ASP 93 N -2.07 -0.70 0.20 2.83 2.15 0.19 -4.98 116.67 114.30 3azu s ASP 93 Ca -0.06 1.17 0.11 0.00 0.43 0.00 0.00 52.55 54.20 3azu s ASP 93 Cb -0.02 1.13 -0.04 0.00 -0.30 0.00 0.00 42.92 43.68 3azu s ASP 93 CO -0.04 -0.36 -0.21 -0.44 -0.17 0.00 0.00 175.17 173.95 3azu s SER 94 N -0.15 3.60 0.01 -0.34 0.01 -1.26 -0.50 113.70 115.07 3azu s SER 94 Ca -0.03 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.40 3azu s SER 94 Cb -0.03 -0.35 -0.01 0.00 0.21 0.00 0.00 66.02 65.85 3azu s SER 94 CO 0.04 0.11 -0.01 0.54 0.41 0.00 0.00 173.24 174.32 3azu s VAL 95 N -1.76 0.08 -0.07 3.43 0.11 -0.46 -4.88 120.40 116.84 3azu s VAL 95 Ca 0.22 -0.25 0.02 0.00 -2.93 0.00 0.00 61.98 59.04 3azu s VAL 95 Cb -0.08 -0.11 0.01 0.00 -1.53 0.00 0.00 36.38 34.68 3azu s VAL 95 CO 0.11 -0.11 -0.11 -0.89 -3.33 0.00 0.00 175.10 170.77 3azu s THR 96 N -0.37 1.07 0.05 5.04 2.01 -1.26 -1.46 115.64 120.72 3azu s THR 96 Ca -0.04 -0.43 0.04 0.00 0.31 0.00 0.00 61.69 61.57 3azu s THR 96 Cb -0.03 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.46 3azu s THR 96 CO -0.00 0.34 -0.11 0.72 -0.69 0.00 0.00 174.62 174.88 3azu s PHE 97 N 0.78 0.99 0.12 4.92 -0.71 -0.12 -4.94 117.98 119.01 3azu s PHE 97 Ca -0.13 -0.41 -0.31 0.00 -1.04 0.00 0.00 56.93 55.04 3azu s PHE 97 Cb -0.15 -0.58 -0.09 0.00 -1.21 0.00 0.00 43.02 40.98 3azu s PHE 97 CO 0.02 0.00 1.65 -0.51 -1.34 0.00 0.00 175.22 175.05 3azu s ASP 98 N -1.37 6.56 0.51 1.98 1.01 -1.26 -0.80 116.67 123.30 3azu s ASP 98 Ca -0.03 2.59 0.34 0.00 0.71 0.00 0.00 52.55 56.16 3azu s ASP 98 Cb -0.09 -2.58 1.54 0.00 1.01 0.00 0.00 42.92 42.80 3azu s ASP 98 CO 0.01 -0.89 2.00 0.58 0.21 0.00 0.00 175.17 177.09 3azu h VAL 99 N 4.45 0.00 0.00 -1.27 2.07 -1.54 -1.33 116.25 118.63 3azu h VAL 99 Ca -0.43 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.78 3azu h VAL 99 Cb 1.20 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 3azu h VAL 99 CO 0.93 0.00 0.02 0.77 0.02 0.00 0.00 177.57 179.30 3azu h SER 100 N 0.00 0.00 0.73 0.57 4.64 -1.88 -0.14 113.55 117.46 3azu h SER 100 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3azu h SER 100 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3azu h SER 100 CO 0.00 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 176.07 3azu h LYS 101 N 0.00 0.00 -6.15 4.77 1.79 -1.63 -3.44 116.57 111.91 3azu h LYS 101 Ca 0.00 0.00 -0.69 0.00 -2.18 0.00 0.00 60.65 57.78 3azu h LYS 101 Cb 0.03 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 30.49 3azu h LYS 101 CO 0.00 0.00 -0.70 -0.51 -1.08 0.00 0.00 179.45 177.16 3azu s LEU 102 N -4.62 3.15 0.09 2.94 1.43 -0.07 -5.12 118.68 116.48 3azu s LEU 102 Ca 0.04 -0.03 0.09 0.00 -1.03 0.00 0.00 54.13 53.20 3azu s LEU 102 Cb 0.09 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 3azu s LEU 102 CO 0.40 0.36 -0.22 -1.59 0.23 0.00 0.00 176.35 175.53 3azu s LYS 103 N -0.80 1.77 0.56 1.70 -2.85 -1.26 -5.03 119.74 113.82 3azu s LYS 103 Ca 0.12 -1.16 -0.13 0.00 -1.00 0.00 0.00 55.97 53.81 3azu s LYS 103 Cb -0.11 -2.06 -0.06 0.00 -2.06 0.00 0.00 37.83 33.55 3azu s LYS 103 CO 0.01 0.49 0.98 -1.83 0.10 0.00 0.00 175.35 175.11 3azu s GLU 104 N -1.77 3.75 0.00 1.78 1.03 -1.26 -3.86 118.70 118.37 3azu s GLU 104 Ca 0.15 0.79 0.00 0.00 0.03 0.00 0.00 54.97 55.94 3azu s GLU 104 Cb -0.10 -2.14 0.00 0.00 -0.80 0.00 0.00 34.13 31.09 3azu s GLU 104 CO 0.06 -0.39 0.00 0.41 -1.33 0.00 0.00 175.26 174.01 3azu n GLY 105 N -2.15 0.72 3.10 -3.83 0.00 -1.26 -5.07 105.19 96.71 3azu n GLY 105 Ca 0.06 -0.42 -0.18 0.00 0.00 0.00 0.00 46.02 45.47 3azu n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3azu s GLU 106 N -0.86 0.79 -0.17 1.61 2.12 -1.25 -5.14 118.70 115.80 3azu s GLU 106 Ca 0.00 -0.69 -0.07 0.00 0.36 0.00 0.00 54.97 54.57 3azu s GLU 106 Cb 0.00 -0.75 -0.04 0.00 0.26 0.00 0.00 34.13 33.60 3azu s GLU 106 CO 0.00 0.18 0.07 -1.14 -0.54 0.00 0.00 175.26 173.84 3azu s GLN 107 N -1.09 3.90 0.13 4.30 -0.44 -1.26 -4.88 119.66 120.32 3azu s GLN 107 Ca -0.01 -0.31 0.10 0.00 -2.50 0.00 0.00 55.36 52.64 3azu s GLN 107 Cb -0.08 -3.22 -0.04 0.00 -1.64 0.00 0.00 33.01 28.04 3azu s GLN 107 CO 0.01 0.35 -0.22 0.71 0.50 0.00 0.00 175.29 176.64 3azu s TYR 108 N 0.16 2.43 -0.02 1.67 2.02 -1.19 -0.39 117.35 122.04 3azu s TYR 108 Ca 0.05 -0.32 0.05 0.00 -0.37 0.00 0.00 57.07 56.49 3azu s TYR 108 Cb -0.12 -1.28 -0.01 0.00 -0.40 0.00 0.00 41.96 40.15 3azu s TYR 108 CO 0.00 0.39 -0.16 -1.64 -1.57 0.00 0.00 175.55 172.57 3azu s MET 109 N -2.21 1.32 0.07 -0.62 -1.94 -0.21 -1.21 119.30 114.50 3azu s MET 109 Ca 0.17 -0.56 0.06 0.00 -1.71 0.00 0.00 55.69 53.66 3azu s MET 109 Cb -0.10 -1.25 -0.04 0.00 2.01 0.00 0.00 34.83 35.45 3azu s MET 109 CO 0.09 0.32 -0.09 -0.59 -0.01 0.00 0.00 175.02 174.74 3azu s PHE 110 N -0.30 2.78 0.13 -0.03 -0.71 -0.48 -1.95 117.98 117.43 3azu s PHE 110 Ca 0.05 -0.13 -0.25 0.00 -1.04 0.00 0.00 56.93 55.56 3azu s PHE 110 Cb -0.07 -1.48 0.07 0.00 -1.21 0.00 0.00 43.02 40.33 3azu s PHE 110 CO -0.00 0.40 0.88 -0.59 -1.34 0.00 0.00 175.22 174.57 3azu s PHE 111 N -1.15 -0.22 -0.18 3.49 -0.71 -0.40 -1.52 117.98 117.28 3azu s PHE 111 Ca 0.20 -0.05 -0.12 0.00 -1.04 0.00 0.00 56.93 55.92 3azu s PHE 111 Cb -0.11 0.62 -0.05 0.00 -1.21 0.00 0.00 43.02 42.27 3azu s PHE 111 CO 0.12 -0.82 0.20 0.00 -1.34 0.00 0.00 175.22 173.39 3azu n THR 113 N 3.52 0.33 -2.00 0.00 -2.24 -1.26 -3.17 114.28 109.46 3azu n THR 113 Ca -0.14 -0.54 -0.41 0.00 -2.27 0.00 0.00 64.05 60.69 3azu n THR 113 Cb 0.52 0.72 -0.02 0.00 -2.10 0.00 0.00 70.33 69.45 3azu n THR 113 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3azu s PHE 114 N -1.67 2.98 -0.12 4.78 2.19 -1.26 -4.32 117.98 120.56 3azu s PHE 114 Ca 0.35 1.07 -0.40 0.00 0.33 0.00 0.00 56.93 58.28 3azu s PHE 114 Cb 0.20 -3.83 -0.17 0.00 -1.31 0.00 0.00 43.02 37.91 3azu s PHE 114 CO 0.29 -2.64 1.45 -2.30 1.83 0.00 0.00 175.22 173.84 3azu n PRO 115 N 2.00 0.78 0.00 10.12 -0.02 -1.26 -1.81 135.00 144.82 3azu n PRO 115 Ca 0.06 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 3azu n PRO 115 Cb 0.40 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 3azu n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3azu n GLY 116 N 3.03 2.29 0.28 -1.23 0.00 -1.26 -4.88 105.19 103.41 3azu n GLY 116 Ca 0.23 -0.53 -0.00 0.00 0.00 0.00 0.00 46.02 45.72 3azu n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3azu h HIS 117 N 0.00 0.74 -1.50 1.61 3.86 -1.66 -3.29 115.15 114.91 3azu h HIS 117 Ca 0.00 0.03 0.47 0.00 -1.16 0.00 0.00 60.37 59.71 3azu h HIS 117 Cb 0.00 -0.22 -0.11 0.00 1.06 0.00 0.00 27.41 28.14 3azu h HIS 117 CO 0.00 0.33 1.02 0.77 0.86 0.00 0.00 177.93 180.91 3azu h SER 118 N 0.72 0.15 0.57 2.45 0.02 -1.70 0.17 113.55 115.94 3azu h SER 118 Ca 0.33 0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 61.25 3azu h SER 118 Cb 0.24 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 3azu h SER 118 CO -0.21 -0.12 -0.58 0.00 -1.14 0.00 0.00 176.83 174.78 3azu h ALA 119 N 1.42 1.03 0.00 3.77 0.00 -1.90 -3.32 119.26 120.26 3azu h ALA 119 Ca 0.84 -0.53 -0.31 0.00 0.00 0.00 0.00 54.91 54.91 3azu h ALA 119 Cb 2.91 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 20.55 3azu h ALA 119 CO -0.27 0.73 -2.16 1.28 0.00 0.00 0.00 179.25 178.82 3azu n LEU 120 N -3.85 1.38 -4.37 0.00 4.32 0.16 -4.81 117.00 109.84 3azu n LEU 120 Ca -0.01 -0.05 -0.46 0.00 -0.02 0.00 0.00 56.01 55.46 3azu n LEU 120 Cb 0.59 -0.12 -0.02 0.00 -1.62 0.00 0.00 43.42 42.24 3azu n LEU 120 CO 0.42 0.61 0.59 -0.04 -1.22 0.00 0.00 177.39 177.75 3azu s MET 121 N -2.41 3.60 0.20 3.23 -1.94 0.36 -4.76 119.30 117.58 3azu s MET 121 Ca -0.18 -2.25 -0.22 0.00 -1.71 0.00 0.00 55.69 51.34 3azu s MET 121 Cb 0.06 -4.57 0.05 0.00 2.01 0.00 0.00 34.83 32.38 3azu s MET 121 CO 0.59 -1.43 0.63 -1.59 -0.01 0.00 0.00 175.02 173.20 3azu s LYS 122 N 0.91 1.45 0.04 2.03 -2.85 -1.26 -2.62 119.74 117.44 3azu s LYS 122 Ca 0.22 -0.68 -0.18 0.00 -1.00 0.00 0.00 55.97 54.33 3azu s LYS 122 Cb -0.09 0.59 0.06 0.00 -2.06 0.00 0.00 37.83 36.33 3azu s LYS 122 CO -0.09 -0.64 0.85 0.41 0.10 0.00 0.00 175.35 175.97 3azu n GLY 123 N -0.40 0.51 3.67 0.59 0.00 -0.57 -4.73 105.19 104.26 3azu n GLY 123 Ca -0.12 -1.02 -0.26 0.00 0.00 0.00 0.00 46.02 44.62 3azu n GLY 123 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3azu s THR 124 N -2.11 3.71 -0.03 2.61 -4.23 -0.03 -1.38 115.64 114.18 3azu s THR 124 Ca 0.20 -1.52 0.02 0.00 -1.18 0.00 0.00 61.69 59.21 3azu s THR 124 Cb -0.01 -2.90 0.01 0.00 1.34 0.00 0.00 72.50 70.94 3azu s THR 124 CO 0.01 -0.18 -0.08 -0.22 -0.54 0.00 0.00 174.62 173.61 3azu s LEU 125 N -3.14 1.71 0.05 4.79 0.20 -0.35 -0.62 118.68 121.32 3azu s LEU 125 Ca 0.28 -0.18 0.03 0.00 0.69 0.00 0.00 54.13 54.95 3azu s LEU 125 Cb -0.09 -0.54 -0.03 0.00 -0.43 0.00 0.00 46.19 45.11 3azu s LEU 125 CO 0.19 0.04 -0.09 -0.89 -0.29 0.00 0.00 176.35 175.32 3azu s THR 126 N 0.34 0.63 -0.14 3.68 2.01 -0.32 -3.15 115.64 118.69 3azu s THR 126 Ca -0.05 -1.18 -0.12 0.00 0.31 0.00 0.00 61.69 60.64 3azu s THR 126 Cb -0.10 -0.76 -0.05 0.00 0.01 0.00 0.00 72.50 71.60 3azu s THR 126 CO 0.01 -0.40 0.25 -0.22 -0.69 0.00 0.00 174.62 173.57 3azu s LEU 127 N -1.73 4.28 0.00 4.42 2.96 -1.26 -0.56 118.68 126.80 3azu s LEU 127 Ca -0.07 0.50 0.00 0.00 -0.22 0.00 0.00 54.13 54.34 3azu s LEU 127 Cb -0.09 -2.30 0.00 0.00 0.50 0.00 0.00 46.19 44.31 3azu s LEU 127 CO 0.00 0.19 0.16 1.17 -1.32 0.00 0.00 176.35 176.55