#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 -1.27 0.00 -0.06 -1.26 -4.76 117.38 110.04 2azu n GLN 2 Ca 0.00 0.00 -0.30 0.00 -2.00 0.00 0.00 57.00 54.70 2azu n GLN 2 Cb 0.00 -0.03 0.11 0.00 -4.06 0.00 0.00 30.24 26.26 2azu n GLN 2 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2azu s SER 4 N -1.55 -0.22 -0.03 0.00 1.04 -1.26 -0.83 113.70 110.85 2azu s SER 4 Ca 0.60 -0.01 -0.07 0.00 0.48 0.00 0.00 55.95 56.94 2azu s SER 4 Cb 0.49 0.38 0.01 0.00 0.10 0.00 0.00 66.02 66.99 2azu s SER 4 CO 0.03 -0.59 0.17 0.54 0.98 0.00 0.00 173.24 174.37 2azu s VAL 5 N -2.16 0.05 -0.14 5.02 0.11 -0.49 -3.57 120.40 119.22 2azu s VAL 5 Ca -0.07 -0.37 -0.01 0.00 -2.93 0.00 0.00 61.98 58.59 2azu s VAL 5 Cb -0.02 -0.37 -0.02 0.00 -1.53 0.00 0.00 36.38 34.44 2azu s VAL 5 CO -0.01 -0.21 -0.09 -1.81 -3.33 0.00 0.00 175.10 169.66 2azu s ASP 6 N -0.73 4.35 0.03 3.54 1.01 -1.26 -0.87 116.67 122.73 2azu s ASP 6 Ca -0.08 -0.24 0.04 0.00 0.71 0.00 0.00 52.55 52.98 2azu s ASP 6 Cb -0.05 -1.66 -0.02 0.00 1.01 0.00 0.00 42.92 42.21 2azu s ASP 6 CO 0.01 0.17 -0.11 -0.51 0.21 0.00 0.00 175.17 174.95 2azu s ILE 7 N 0.31 0.83 0.11 0.77 2.07 0.01 -4.95 121.20 120.36 2azu s ILE 7 Ca -0.07 -0.83 0.10 0.00 -1.41 0.00 0.00 60.65 58.44 2azu s ILE 7 Cb -0.15 -0.77 -0.04 0.00 0.13 0.00 0.00 42.46 41.63 2azu s ILE 7 CO 0.04 -0.04 -0.26 -1.10 -1.91 0.00 0.00 174.94 171.68 2azu s GLN 8 N -0.97 1.53 -0.05 3.50 -0.21 -1.26 -1.36 119.66 120.85 2azu s GLN 8 Ca -0.01 -1.28 0.05 0.00 0.02 0.00 0.00 55.36 54.15 2azu s GLN 8 Cb -0.07 -1.94 -0.01 0.00 1.00 0.00 0.00 33.01 31.99 2azu s GLN 8 CO 0.01 0.47 -0.20 0.20 -2.12 0.00 0.00 175.29 173.65 2azu s GLY 9 N -1.88 1.05 0.47 3.09 0.00 -1.09 -2.14 107.32 106.82 2azu s GLY 9 Ca 0.14 -0.82 0.01 0.00 0.00 0.00 0.00 44.72 44.05 2azu s GLY 9 CO 0.06 -0.46 0.03 1.16 0.00 0.00 0.00 173.10 173.89 2azu n ASN 10 N 3.07 2.86 0.08 1.64 0.23 -0.77 -4.11 115.26 118.26 2azu n ASN 10 Ca -0.18 -3.14 0.09 0.00 -0.53 0.00 0.00 54.58 50.82 2azu n ASN 10 Cb 0.53 0.50 0.39 0.00 -2.08 0.00 0.00 39.78 39.11 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 -1.35 0.36 -0.92 0.53 8.00 -1.26 -1.91 116.55 120.00 2azu n ASP 11 Ca -0.17 0.60 0.09 0.00 0.71 0.00 0.00 54.79 56.02 2azu n ASP 11 Cb 0.61 -0.68 0.24 0.00 -0.02 0.00 0.00 41.12 41.28 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 -1.92 2.17 -3.31 -1.24 1.13 -1.26 -4.92 117.38 108.02 2azu n GLN 12 Ca 0.02 -1.81 -0.18 0.00 -1.94 0.00 0.00 57.00 53.10 2azu n GLN 12 Cb 0.16 -1.41 0.06 0.00 0.11 0.00 0.00 30.24 29.16 2azu n GLN 12 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 2azu n MET 13 N 0.97 -5.98 -4.19 -1.09 0.00 -0.80 -5.02 117.12 101.01 2azu n MET 13 Ca 0.17 0.63 -0.14 0.00 -0.00 0.00 0.00 57.70 58.36 2azu n MET 13 Cb 0.44 -5.06 -0.10 0.00 0.00 0.00 0.00 33.22 28.49 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 -5.93 0.88 0.16 2.12 -0.21 -1.26 -4.16 119.66 111.26 2azu s GLN 14 Ca 0.42 -1.25 0.02 0.00 0.02 0.00 0.00 55.36 54.57 2azu s GLN 14 Cb -0.18 -0.49 -0.04 0.00 1.00 0.00 0.00 33.01 33.31 2azu s GLN 14 CO 0.55 0.06 0.30 -0.06 -2.12 0.00 0.00 175.29 174.02 2azu s PHE 15 N -2.84 3.48 -2.05 0.91 0.08 -1.26 -1.85 117.98 114.45 2azu s PHE 15 Ca 0.09 0.14 0.11 0.00 0.12 0.00 0.00 56.93 57.38 2azu s PHE 15 Cb -0.00 -1.69 0.47 0.00 -0.57 0.00 0.00 43.02 41.23 2azu s PHE 15 CO -0.01 0.50 1.33 0.27 -0.10 0.00 0.00 175.22 177.21 2azu n ASN 16 N -0.58 0.78 -3.72 1.36 6.94 -0.91 -4.80 115.26 114.33 2azu n ASN 16 Ca -0.07 -1.82 -0.13 0.00 -0.02 0.00 0.00 54.58 52.55 2azu n ASN 16 Cb 0.54 -0.08 -0.07 0.00 -2.36 0.00 0.00 39.78 37.81 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 -0.04 5.53 -1.32 -1.26 -5.00 115.64 111.77 2azu s THR 17 Ca 0.18 -0.52 0.06 0.00 -1.21 0.00 0.00 61.69 60.20 2azu s THR 17 Cb 0.09 -0.84 0.09 0.00 -1.51 0.00 0.00 72.50 70.34 2azu s THR 17 CO 0.14 -0.29 0.97 0.59 -2.21 0.00 0.00 174.62 173.82 2azu n ASN 18 N 0.81 1.56 -3.66 8.08 4.13 -1.26 -4.79 115.26 120.13 2azu n ASN 18 Ca -0.20 -2.20 -0.09 0.00 1.68 0.00 0.00 54.58 53.78 2azu n ASN 18 Cb 0.58 -0.16 -0.08 0.00 -1.54 0.00 0.00 39.78 38.57 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 -1.33 -1.57 -0.06 5.41 0.00 -1.26 -1.65 121.76 121.30 2azu s ALA 19 Ca 0.10 2.08 0.04 0.00 0.00 0.00 0.00 51.96 54.18 2azu s ALA 19 Cb 0.09 -1.23 0.00 0.00 0.00 0.00 0.00 23.12 21.98 2azu s ALA 19 CO 0.01 -0.33 -0.18 0.42 0.00 0.00 0.00 175.76 175.68 2azu s ILE 20 N 1.46 1.51 -0.19 0.00 1.01 -0.28 -4.94 121.20 119.77 2azu s ILE 20 Ca -0.09 -0.74 -0.03 0.00 0.00 0.00 0.00 60.65 59.80 2azu s ILE 20 Cb -0.06 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 41.09 2azu s ILE 20 CO -0.16 0.43 -0.07 -0.89 0.00 0.00 0.00 174.94 174.25 2azu s THR 21 N 0.23 3.25 -0.18 2.92 2.01 -1.26 -2.24 115.64 120.36 2azu s THR 21 Ca -0.09 -0.55 -0.10 0.00 0.31 0.00 0.00 61.69 61.26 2azu s THR 21 Cb -0.14 -2.44 -0.05 0.00 0.01 0.00 0.00 72.50 69.88 2azu s THR 21 CO 0.04 0.46 0.14 -0.69 -0.69 0.00 0.00 174.62 173.87 2azu s VAL 22 N 1.13 5.42 -0.06 3.82 1.01 0.35 -4.95 120.40 127.13 2azu s VAL 22 Ca 0.01 0.21 -0.26 0.00 0.00 0.00 0.00 61.98 61.94 2azu s VAL 22 Cb -0.14 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 2azu s VAL 22 CO -0.02 0.47 0.81 -0.62 0.00 0.00 0.00 175.10 175.75 2azu s ASP 23 N 0.09 7.11 0.46 3.32 2.15 -1.25 -0.93 116.67 127.62 2azu s ASP 23 Ca 0.10 1.35 0.26 0.00 0.43 0.00 0.00 52.55 54.69 2azu s ASP 23 Cb -0.11 -2.47 1.30 0.00 -0.30 0.00 0.00 42.92 41.34 2azu s ASP 23 CO -0.01 -0.20 1.78 0.50 -0.17 0.00 0.00 175.17 177.07 2azu h LYS 24 N 6.84 0.21 -0.01 4.34 3.64 -1.66 0.22 116.57 130.16 2azu h LYS 24 Ca -0.40 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 2azu h LYS 24 Cb 1.20 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2azu h LYS 24 CO 0.76 0.14 0.00 -1.13 -2.27 0.00 0.00 179.45 176.95 2azu n SER 25 N -4.46 0.13 -4.72 4.20 3.41 -1.26 -4.80 113.62 106.12 2azu n SER 25 Ca 0.26 -1.29 -0.42 0.00 -0.26 0.00 0.00 58.87 57.17 2azu n SER 25 Cb 1.05 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.96 2azu n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2azu h LYS 27 N 6.36 0.01 -4.13 0.00 6.56 -1.88 -3.42 116.57 120.06 2azu h LYS 27 Ca -0.42 -0.01 -0.13 0.00 -1.06 0.00 0.00 60.65 59.03 2azu h LYS 27 Cb 1.22 0.00 -0.14 0.00 -0.57 0.00 0.00 32.23 32.74 2azu h LYS 27 CO 0.74 0.88 -0.54 1.14 -2.06 0.00 0.00 179.45 179.61 2azu s GLN 28 N -3.00 0.83 -0.03 3.15 -2.07 -1.26 -1.99 119.66 115.30 2azu s GLN 28 Ca 0.00 -1.21 -0.02 0.00 -1.82 0.00 0.00 55.36 52.31 2azu s GLN 28 Cb 0.11 0.28 0.01 0.00 -1.09 0.00 0.00 33.01 32.31 2azu s GLN 28 CO 0.80 -0.24 0.07 0.12 -1.32 0.00 0.00 175.29 174.72 2azu s PHE 29 N -3.95 -0.07 -0.07 9.60 5.36 -0.14 -4.80 117.98 123.91 2azu s PHE 29 Ca 0.13 0.19 0.05 0.00 -0.96 0.00 0.00 56.93 56.33 2azu s PHE 29 Cb 0.06 -0.00 -0.01 0.00 -0.34 0.00 0.00 43.02 42.73 2azu s PHE 29 CO -0.06 -0.05 -0.21 0.99 -1.46 0.00 0.00 175.22 174.44 2azu s THR 30 N 0.18 2.40 -0.22 0.12 2.01 -0.01 -1.39 115.64 118.73 2azu s THR 30 Ca -0.01 -0.94 -0.03 0.00 0.31 0.00 0.00 61.69 61.02 2azu s THR 30 Cb -0.02 -1.91 -0.00 0.00 0.01 0.00 0.00 72.50 70.58 2azu s THR 30 CO -0.01 0.57 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.75 2azu s VAL 31 N -0.19 3.24 -0.31 3.82 1.01 -0.57 -1.39 120.40 126.01 2azu s VAL 31 Ca -0.02 -0.59 -0.09 0.00 0.00 0.00 0.00 61.98 61.29 2azu s VAL 31 Cb -0.14 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.76 2azu s VAL 31 CO 0.03 0.40 0.13 0.20 0.00 0.00 0.00 175.10 175.86 2azu s ASN 32 N 1.45 5.40 -0.20 3.32 0.01 -0.05 -2.02 114.94 122.86 2azu s ASN 32 Ca 0.05 -0.67 -0.07 0.00 -0.71 0.00 0.00 52.86 51.46 2azu s ASN 32 Cb -0.14 -1.95 -0.04 0.00 0.41 0.00 0.00 41.25 39.53 2azu s ASN 32 CO -0.04 -0.22 0.06 -0.22 -1.51 0.00 0.00 177.10 175.17 2azu s LEU 33 N 1.56 3.69 0.03 0.60 2.96 0.29 -0.81 118.68 127.00 2azu s LEU 33 Ca 0.03 -0.01 0.05 0.00 -0.22 0.00 0.00 54.13 53.99 2azu s LEU 33 Cb -0.17 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 2azu s LEU 33 CO 0.05 0.12 -0.14 -0.94 -1.32 0.00 0.00 176.35 174.11 2azu s SER 34 N 0.69 1.70 -0.37 3.68 1.04 -0.46 -0.87 113.70 119.12 2azu s SER 34 Ca 0.03 -0.44 0.02 0.00 0.48 0.00 0.00 55.95 56.04 2azu s SER 34 Cb -0.13 -0.12 0.10 0.00 0.10 0.00 0.00 66.02 65.97 2azu s SER 34 CO 0.02 0.05 0.10 -0.76 0.98 0.00 0.00 173.24 173.64 2azu s LEU 35 N -1.05 4.91 0.00 2.42 1.02 -0.60 -2.67 118.68 122.71 2azu s LEU 35 Ca 0.02 -2.14 0.23 0.00 0.02 0.00 0.00 54.13 52.26 2azu s LEU 35 Cb -0.08 -1.69 1.14 0.00 0.02 0.00 0.00 46.19 45.58 2azu s LEU 35 CO 0.01 -0.43 1.77 -0.81 0.02 0.00 0.00 176.35 176.91 2azu n PRO 36 N 4.32 1.34 0.00 1.29 -0.04 -1.26 -0.83 135.00 139.82 2azu n PRO 36 Ca 0.02 -0.50 0.00 0.00 -0.04 0.00 0.00 63.50 62.98 2azu n PRO 36 Cb 0.42 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 1.00 -0.96 0.00 0.55 0.00 -1.26 -4.88 105.19 99.64 2azu n GLY 37 Ca 0.17 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.47 3.42 -4.82 1.61 3.02 -1.26 -4.09 115.26 111.67 2azu n ASN 38 Ca 0.00 -0.12 -0.33 0.00 -0.03 0.00 0.00 54.58 54.11 2azu n ASN 38 Cb 0.00 0.92 -0.06 0.00 -0.61 0.00 0.00 39.78 40.02 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 -2.52 3.89 0.64 3.41 1.43 -1.26 -4.88 118.68 119.39 2azu s LEU 39 Ca 0.00 1.68 -0.14 0.00 -1.03 0.00 0.00 54.13 54.64 2azu s LEU 39 Cb 0.00 -4.54 -0.02 0.00 0.03 0.00 0.00 46.19 41.67 2azu s LEU 39 CO 0.00 -0.41 1.07 -2.16 0.23 0.00 0.00 176.35 175.08 2azu s PRO 40 N -3.32 3.10 0.33 1.29 0.04 -1.26 -3.04 135.00 132.15 2azu s PRO 40 Ca 0.62 1.17 0.09 0.00 0.04 0.00 0.00 61.00 62.92 2azu s PRO 40 Cb -0.09 -2.00 0.84 0.00 0.04 0.00 0.00 34.50 33.28 2azu s PRO 40 CO 0.16 -0.98 1.79 -0.22 0.04 0.00 0.00 177.00 177.78 2azu h LYS 41 N 0.03 0.65 0.00 4.56 3.64 -1.85 -1.05 116.57 122.54 2azu h LYS 41 Ca -0.46 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 2azu h LYS 41 Cb 1.22 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 2azu h LYS 41 CO 0.56 0.43 0.00 0.27 -2.27 0.00 0.00 179.45 178.44 2azu n ASN 42 N -4.72 0.00 0.00 4.20 6.94 -1.26 0.18 115.26 120.61 2azu n ASN 42 Ca 0.23 0.44 0.00 0.00 -0.02 0.00 0.00 54.58 55.23 2azu n ASN 42 Cb 0.63 -0.47 0.00 0.00 -2.36 0.00 0.00 39.78 37.58 2azu n ASN 42 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 2azu n VAL 43 N -1.47 0.00 -2.66 3.53 0.31 -0.95 -4.84 118.33 112.25 2azu n VAL 43 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 2azu n VAL 43 Cb 0.20 -0.91 0.04 0.00 -0.91 0.00 0.00 33.84 32.26 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 -1.88 1.05 -1.74 5.55 0.00 -0.44 -5.04 117.12 114.61 2azu n MET 44 Ca 0.00 -2.59 -0.40 0.00 -0.00 0.00 0.00 57.70 54.71 2azu n MET 44 Cb 0.46 -0.72 0.03 0.00 0.00 0.00 0.00 33.22 32.98 2azu n MET 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2azu n GLY 45 N -0.36 0.81 3.21 -5.12 0.00 0.13 -4.76 105.19 99.10 2azu n GLY 45 Ca 0.01 0.12 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 2azu n GLY 45 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2azu s HIS 46 N -1.24 1.34 0.25 1.61 3.76 -0.34 -4.68 115.29 116.00 2azu s HIS 46 Ca 0.65 -0.48 -0.00 0.00 -0.15 0.00 0.00 55.06 55.07 2azu s HIS 46 Cb -0.45 -0.74 -0.03 0.00 1.11 0.00 0.00 32.58 32.48 2azu s HIS 46 CO 0.54 0.10 0.25 0.54 -0.85 0.00 0.00 174.74 175.32 2azu s ASN 47 N -1.97 0.59 -0.15 1.40 6.03 -1.26 -0.95 114.94 118.62 2azu s ASN 47 Ca 0.02 -1.44 0.01 0.00 -1.03 0.00 0.00 52.86 50.42 2azu s ASN 47 Cb -0.08 0.48 0.02 0.00 -3.03 0.00 0.00 41.25 38.64 2azu s ASN 47 CO 0.03 -0.98 -0.17 0.86 -2.03 0.00 0.00 177.10 174.81 2azu s TRP 48 N -3.84 2.38 -0.01 1.54 -0.00 -1.26 -4.12 118.94 113.64 2azu s TRP 48 Ca 0.37 -1.34 0.06 0.00 -0.00 0.00 0.00 56.10 55.18 2azu s TRP 48 Cb 0.04 -1.70 -0.01 0.00 -0.00 0.00 0.00 33.47 31.80 2azu s TRP 48 CO 0.17 -0.70 -0.18 0.08 -0.00 0.00 0.00 176.95 176.32 2azu s VAL 49 N 1.34 1.43 -0.06 5.86 1.01 -0.00 -1.60 120.40 128.37 2azu s VAL 49 Ca 0.03 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.28 2azu s VAL 49 Cb -0.13 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.05 2azu s VAL 49 CO -0.10 0.39 -0.25 -0.22 0.00 0.00 0.00 175.10 174.92 2azu s LEU 50 N -0.46 2.07 0.30 3.92 2.96 -0.93 -1.06 118.68 125.48 2azu s LEU 50 Ca 0.07 -0.52 -0.13 0.00 -0.22 0.00 0.00 54.13 53.33 2azu s LEU 50 Cb -0.07 -1.38 0.01 0.00 0.50 0.00 0.00 46.19 45.25 2azu s LEU 50 CO -0.01 0.23 0.57 -0.94 -1.32 0.00 0.00 176.35 174.89 2azu s SER 51 N -0.11 0.09 0.80 3.68 1.04 -0.95 -1.42 113.70 116.84 2azu s SER 51 Ca -0.05 -1.02 -0.11 0.00 0.48 0.00 0.00 55.95 55.25 2azu s SER 51 Cb -0.14 0.67 0.07 0.00 0.10 0.00 0.00 66.02 66.73 2azu s SER 51 CO 0.04 -1.31 1.10 0.42 0.98 0.00 0.00 173.24 174.47 2azu s THR 52 N -3.51 3.12 0.26 2.02 -4.23 -1.26 -1.00 115.64 111.04 2azu s THR 52 Ca 0.21 0.37 -0.04 0.00 -1.18 0.00 0.00 61.69 61.04 2azu s THR 52 Cb -0.02 -2.79 0.23 0.00 1.34 0.00 0.00 72.50 71.25 2azu s THR 52 CO 0.11 -0.48 1.90 0.00 -0.54 0.00 0.00 174.62 175.61 2azu h ALA 53 N -1.26 1.26 0.00 3.99 0.00 -1.42 -2.66 119.26 119.18 2azu h ALA 53 Ca -0.44 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 2azu h ALA 53 Cb 1.24 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 2azu h ALA 53 CO 0.50 0.61 -0.07 0.00 0.00 0.00 0.00 179.25 180.30 2azu h ALA 54 N 1.36 1.16 0.00 0.00 0.00 -1.92 -2.94 119.26 116.92 2azu h ALA 54 Ca 0.30 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2azu h ALA 54 Cb -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2azu h ALA 54 CO -0.05 0.09 -1.14 -0.25 0.00 0.00 0.00 179.25 177.90 2azu n ASP 55 N -3.40 0.62 -0.14 0.00 8.00 -1.01 -4.58 116.55 116.05 2azu n ASP 55 Ca -0.01 -0.39 -0.04 0.00 0.71 0.00 0.00 54.79 55.06 2azu n ASP 55 Cb 0.22 1.00 0.03 0.00 -0.02 0.00 0.00 41.12 42.35 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 0.00 0.05 -0.97 -1.24 4.05 -1.38 -0.86 114.93 114.58 2azu h MET 56 Ca 0.00 -0.00 0.09 0.00 -0.28 0.00 0.00 59.70 59.51 2azu h MET 56 Cb 0.70 -0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 31.41 2azu h MET 56 CO 0.00 0.03 0.61 0.37 0.23 0.00 0.00 176.91 178.15 2azu h GLN 57 N 0.05 1.02 -0.00 0.39 5.75 -1.81 -0.39 115.11 120.12 2azu h GLN 57 Ca 0.22 -0.06 -0.17 0.00 -0.15 0.00 0.00 58.65 58.48 2azu h GLN 57 Cb 0.33 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 2azu h GLN 57 CO -0.41 0.67 -0.81 0.78 -2.65 0.00 0.00 178.83 176.41 2azu h GLY 58 N 1.05 0.05 0.98 2.39 0.00 -1.50 -1.14 103.07 104.90 2azu h GLY 58 Ca 0.45 -0.09 -0.10 0.00 0.00 0.00 0.00 47.33 47.59 2azu h GLY 58 CO -0.22 0.08 -0.17 -2.08 0.00 0.00 0.00 176.54 174.15 2azu h VAL 59 N 0.03 1.28 -0.06 4.60 2.07 -0.30 -0.36 116.25 123.51 2azu h VAL 59 Ca -0.02 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.20 2azu h VAL 59 Cb 1.42 1.36 -0.00 0.00 -1.52 0.00 0.00 31.29 32.54 2azu h VAL 59 CO 0.11 0.42 0.00 0.58 0.02 0.00 0.00 177.57 178.71 2azu h VAL 60 N 0.54 1.23 -0.37 2.57 2.07 -1.09 0.32 116.25 121.53 2azu h VAL 60 Ca 0.08 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 2azu h VAL 60 Cb 0.71 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 2azu h VAL 60 CO 0.05 0.20 0.18 0.74 0.02 0.00 0.00 177.57 178.76 2azu h THR 61 N -0.17 1.17 0.00 2.57 2.02 -1.14 -0.12 112.91 117.25 2azu h THR 61 Ca 0.02 -0.47 -0.09 0.00 0.77 0.00 0.00 66.41 66.64 2azu h THR 61 Cb 0.31 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 2azu h THR 61 CO 0.00 0.18 -0.44 0.44 0.37 0.00 0.00 175.52 176.07 2azu h ASP 62 N 0.46 0.00 0.26 4.18 3.32 -1.08 -2.80 116.42 120.76 2azu h ASP 62 Ca 0.13 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 2azu h ASP 62 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2azu h ASP 62 CO -0.02 0.44 -0.13 1.23 -1.72 0.00 0.00 179.24 179.04 2azu h GLY 63 N 1.93 -0.37 -0.22 2.75 0.00 -0.45 -1.76 103.07 104.96 2azu h GLY 63 Ca -0.00 0.14 0.14 0.00 0.00 0.00 0.00 47.33 47.60 2azu h GLY 63 CO 0.06 -0.13 -0.05 1.98 0.00 0.00 0.00 176.54 178.40 2azu h MET 64 N -0.59 0.07 0.00 4.80 1.85 -1.02 -1.04 114.93 119.00 2azu h MET 64 Ca -0.04 -0.00 -0.06 0.00 -0.61 0.00 0.00 59.70 58.99 2azu h MET 64 Cb 0.43 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.43 2azu h MET 64 CO 0.06 0.05 -0.30 0.00 -0.40 0.00 0.00 176.91 176.32 2azu h ALA 65 N 1.63 1.30 0.00 0.39 0.00 -1.37 -3.01 119.26 118.20 2azu h ALA 65 Ca 0.34 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2azu h ALA 65 Cb 0.57 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2azu h ALA 65 CO -0.61 0.38 0.00 0.77 0.00 0.00 0.00 179.25 179.79 2azu h SER 66 N 0.00 0.00 -4.33 0.00 0.02 -0.26 -3.49 113.55 105.48 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 0.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.15 2azu h SER 66 CO 0.04 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.34 2azu n GLY 67 N 0.60 -0.85 0.33 -3.77 0.00 -1.14 -4.14 105.19 96.23 2azu n GLY 67 Ca 0.03 -1.67 -0.02 0.00 0.00 0.00 0.00 46.02 44.35 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 0.92 -1.93 0.99 5.85 -1.91 -0.27 115.31 118.96 2azu h LEU 68 Ca 0.00 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 2azu h LEU 68 Cb 0.00 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.79 2azu h LEU 68 CO 0.00 0.78 -0.12 -0.78 -0.34 0.00 0.00 178.44 177.98 2azu h ASP 69 N 1.01 0.00 -0.57 1.25 3.58 -2.02 -0.67 116.42 119.00 2azu h ASP 69 Ca 0.25 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.70 2azu h ASP 69 Cb 0.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.16 2azu h ASP 69 CO -0.03 0.12 0.00 0.29 -2.88 0.00 0.00 179.24 176.74 2azu n LYS 70 N -3.76 2.76 -3.72 0.28 4.76 -0.59 -4.91 118.16 112.97 2azu n LYS 70 Ca -0.02 -2.22 -0.27 0.00 -2.87 0.00 0.00 58.31 52.93 2azu n LYS 70 Cb 0.22 -1.60 0.04 0.00 -1.84 0.00 0.00 35.03 31.85 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 1.08 -5.45 -4.37 4.39 9.92 -0.26 -2.14 116.55 119.71 2azu n ASP 71 Ca 0.20 -0.65 -0.37 0.00 -0.53 0.00 0.00 54.79 53.44 2azu n ASP 71 Cb 0.61 -4.33 -0.07 0.00 -0.64 0.00 0.00 41.12 36.70 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 -4.77 -1.36 -4.03 1.24 4.01 -0.21 -4.73 117.16 107.31 2azu n TYR 72 Ca 0.02 0.70 -0.17 0.00 -0.16 0.00 0.00 57.90 58.30 2azu n TYR 72 Cb 0.54 -2.48 -0.15 0.00 -0.31 0.00 0.00 39.34 36.94 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 -7.26 1.54 0.06 7.72 1.43 -0.91 -4.21 118.68 117.05 2azu s LEU 73 Ca 0.56 -0.06 -0.30 0.00 -1.03 0.00 0.00 54.13 53.30 2azu s LEU 73 Cb -0.32 -0.25 -0.09 0.00 0.03 0.00 0.00 46.19 45.56 2azu s LEU 73 CO 0.99 -0.03 1.80 -0.75 0.23 0.00 0.00 176.35 178.58 2azu s LYS 74 N 0.55 4.16 0.30 1.70 2.20 -1.26 -4.84 119.74 122.55 2azu s LYS 74 Ca -0.06 2.48 -0.29 0.00 -0.36 0.00 0.00 55.97 57.74 2azu s LYS 74 Cb -0.09 -3.80 -0.12 0.00 -1.51 0.00 0.00 37.83 32.31 2azu s LYS 74 CO -0.01 -0.84 1.44 -2.30 -0.36 0.00 0.00 175.35 173.27 2azu n PRO 75 N 6.34 2.34 -3.36 4.03 -0.02 -1.26 -2.38 135.00 140.68 2azu n PRO 75 Ca 0.18 0.83 -0.24 0.00 -2.02 0.00 0.00 63.50 62.24 2azu n PRO 75 Cb 0.40 -2.51 0.01 0.00 -0.02 0.00 0.00 33.50 31.38 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 1.51 -4.38 -4.62 2.55 8.00 -1.26 -4.86 116.55 113.49 2azu n ASP 76 Ca 0.07 -0.42 -0.43 0.00 0.71 0.00 0.00 54.79 54.72 2azu n ASP 76 Cb 0.35 -3.58 -0.03 0.00 -0.02 0.00 0.00 41.12 37.85 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 -2.79 6.11 0.57 -2.24 -1.08 -1.00 -4.86 116.67 111.37 2azu s ASP 77 Ca 0.41 1.75 0.30 0.00 -0.52 0.00 0.00 52.55 54.50 2azu s ASP 77 Cb -0.21 -2.53 1.74 0.00 -1.46 0.00 0.00 42.92 40.46 2azu s ASP 77 CO 0.51 -1.46 2.20 0.77 0.52 0.00 0.00 175.17 177.71 2azu h SER 78 N 12.00 0.00 1.13 -0.34 4.64 -1.91 -2.55 113.55 126.52 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 0.04 -0.01 0.54 -0.87 0.00 0.00 176.83 177.52 2azu n ARG 79 N -3.69 0.08 -3.20 4.77 1.74 -1.26 -4.74 116.66 110.36 2azu n ARG 79 Ca -0.03 0.06 -0.41 0.00 -0.77 0.00 0.00 57.85 56.71 2azu n ARG 79 Cb 0.14 -1.59 -0.07 0.00 -1.02 0.00 0.00 32.46 29.91 2azu n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2azu s VAL 80 N -3.03 4.99 0.02 1.55 1.01 -0.96 -4.51 120.40 119.46 2azu s VAL 80 Ca 0.13 0.49 -0.20 0.00 0.00 0.00 0.00 61.98 62.40 2azu s VAL 80 Cb 0.17 -3.98 -0.19 0.00 0.00 0.00 0.00 36.38 32.38 2azu s VAL 80 CO 0.55 -0.20 1.20 0.40 0.00 0.00 0.00 175.10 177.05 2azu h ILE 81 N 5.60 1.40 -2.48 2.22 2.04 -1.53 -3.48 117.51 121.28 2azu h ILE 81 Ca -0.28 -1.79 -0.05 0.00 1.00 0.00 0.00 64.86 63.75 2azu h ILE 81 Cb 1.12 2.30 -0.16 0.00 -0.74 0.00 0.00 36.82 39.34 2azu h ILE 81 CO 0.78 0.52 0.15 0.00 0.00 0.00 0.00 178.15 179.61 2azu s ALA 82 N -3.63 -1.60 -0.01 1.87 0.00 -1.25 -5.03 121.76 112.12 2azu s ALA 82 Ca -0.14 0.90 -0.28 0.00 0.00 0.00 0.00 51.96 52.44 2azu s ALA 82 Cb 0.04 0.34 0.06 0.00 0.00 0.00 0.00 23.12 23.57 2azu s ALA 82 CO 0.80 -0.51 0.62 -3.38 0.00 0.00 0.00 175.76 173.28 2azu s HIS 83 N -2.22 -0.57 0.79 0.00 -3.43 -1.26 -2.18 115.29 106.41 2azu s HIS 83 Ca -0.06 0.88 -0.03 0.00 -0.80 0.00 0.00 55.06 55.05 2azu s HIS 83 Cb -0.01 0.39 0.16 0.00 -1.43 0.00 0.00 32.58 31.70 2azu s HIS 83 CO 0.01 -0.62 1.08 0.95 -2.00 0.00 0.00 174.74 174.15 2azu s THR 84 N -1.66 2.00 0.91 -5.38 -4.23 -0.63 -4.83 115.64 101.82 2azu s THR 84 Ca -0.09 -0.53 -0.13 0.00 -1.18 0.00 0.00 61.69 59.76 2azu s THR 84 Cb -0.01 -2.47 0.14 0.00 1.34 0.00 0.00 72.50 71.50 2azu s THR 84 CO 0.05 0.00 1.16 -0.54 -0.54 0.00 0.00 174.62 174.76 2azu s LYS 85 N -5.30 1.15 -0.29 3.99 1.02 -1.26 -4.67 119.74 114.38 2azu s LYS 85 Ca 0.70 0.16 -0.21 0.00 0.02 0.00 0.00 55.97 56.63 2azu s LYS 85 Cb -0.04 -1.85 -0.01 0.00 -0.52 0.00 0.00 37.83 35.41 2azu s LYS 85 CO 0.47 -2.16 0.66 -1.17 -0.92 0.00 0.00 175.35 172.23 2azu s LEU 86 N -5.96 4.11 0.37 3.17 2.96 -1.26 -4.44 118.68 117.63 2azu s LEU 86 Ca 0.65 0.57 0.08 0.00 -0.22 0.00 0.00 54.13 55.21 2azu s LEU 86 Cb -0.12 -2.88 -0.06 0.00 0.50 0.00 0.00 46.19 43.62 2azu s LEU 86 CO 0.52 -0.47 0.02 0.27 -1.32 0.00 0.00 176.35 175.37 2azu s ILE 87 N 2.64 2.37 0.48 6.68 -4.36 -0.13 -4.89 121.20 124.00 2azu s ILE 87 Ca 0.27 -1.98 0.02 0.00 -0.26 0.00 0.00 60.65 58.69 2azu s ILE 87 Cb -0.15 -2.84 0.02 0.00 1.25 0.00 0.00 42.46 40.74 2azu s ILE 87 CO 0.11 -0.13 0.14 0.61 0.24 0.00 0.00 174.94 175.90 2azu n GLY 88 N -0.97 3.31 3.68 6.27 0.00 -1.26 -1.20 105.19 115.02 2azu n GLY 88 Ca -0.04 -2.33 -0.44 0.00 0.00 0.00 0.00 46.02 43.20 2azu n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2azu n SER 89 N -1.49 2.85 0.00 1.61 3.41 -1.17 -1.94 113.62 116.89 2azu n SER 89 Ca -0.13 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.63 2azu n SER 89 Cb 0.59 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.09 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 2.02 0.81 3.96 5.00 0.00 -0.01 -5.01 105.19 111.96 2azu n GLY 90 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.07 3.24 0.03 1.61 2.02 -0.82 -4.91 118.70 119.80 2azu s GLU 91 Ca 0.00 -0.91 0.01 0.00 0.02 0.00 0.00 54.97 54.09 2azu s GLU 91 Cb 0.00 -2.81 -0.02 0.00 0.10 0.00 0.00 34.13 31.40 2azu s GLU 91 CO 0.00 0.28 -0.05 0.21 0.02 0.00 0.00 175.26 175.72 2azu s LYS 92 N -4.03 0.42 0.00 1.61 2.47 -1.26 -1.56 119.74 117.39 2azu s LYS 92 Ca 0.38 -0.69 -0.25 0.00 -1.56 0.00 0.00 55.97 53.85 2azu s LYS 92 Cb -0.09 -0.08 0.06 0.00 -1.46 0.00 0.00 37.83 36.26 2azu s LYS 92 CO 0.29 -0.00 0.56 0.34 0.16 0.00 0.00 175.35 176.70 2azu s ASP 93 N -1.54 -0.51 0.06 1.43 2.15 -0.05 -5.00 116.67 113.21 2azu s ASP 93 Ca -0.13 0.38 0.03 0.00 0.43 0.00 0.00 52.55 53.27 2azu s ASP 93 Cb -0.10 0.49 -0.03 0.00 -0.30 0.00 0.00 42.92 42.99 2azu s ASP 93 CO -0.00 -0.65 -0.10 -0.44 -0.17 0.00 0.00 175.17 173.81 2azu s SER 94 N -1.59 1.17 -0.03 -0.34 0.01 -1.26 -0.55 113.70 111.11 2azu s SER 94 Ca -0.09 -0.60 0.03 0.00 1.31 0.00 0.00 55.95 56.61 2azu s SER 94 Cb -0.01 0.01 -0.00 0.00 0.21 0.00 0.00 66.02 66.23 2azu s SER 94 CO 0.04 -0.17 -0.12 0.54 0.41 0.00 0.00 173.24 173.93 2azu s VAL 95 N -1.47 1.02 -0.08 3.43 0.11 -0.85 -4.93 120.40 117.63 2azu s VAL 95 Ca -0.06 -0.50 0.04 0.00 -2.93 0.00 0.00 61.98 58.53 2azu s VAL 95 Cb -0.09 -0.88 -0.01 0.00 -1.53 0.00 0.00 36.38 33.86 2azu s VAL 95 CO 0.01 0.30 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.99 2azu s THR 96 N 0.03 2.46 0.24 5.04 2.01 -1.26 -1.51 115.64 122.64 2azu s THR 96 Ca -0.01 -0.91 0.03 0.00 0.31 0.00 0.00 61.69 61.10 2azu s THR 96 Cb -0.08 -1.95 -0.05 0.00 0.01 0.00 0.00 72.50 70.43 2azu s THR 96 CO 0.01 0.56 0.03 0.72 -0.69 0.00 0.00 174.62 175.25 2azu s PHE 97 N -0.09 1.52 -0.09 4.92 -0.71 -0.48 -4.94 117.98 118.11 2azu s PHE 97 Ca -0.04 -1.02 -0.25 0.00 -1.04 0.00 0.00 56.93 54.57 2azu s PHE 97 Cb -0.14 -0.90 -0.03 0.00 -1.21 0.00 0.00 43.02 40.74 2azu s PHE 97 CO 0.04 -0.16 0.78 0.34 -1.34 0.00 0.00 175.22 174.88 2azu s ASP 98 N -3.30 7.03 0.50 1.98 2.15 -1.26 -0.97 116.67 122.80 2azu s ASP 98 Ca 0.31 1.24 0.23 0.00 0.43 0.00 0.00 52.55 54.76 2azu s ASP 98 Cb 0.07 -2.45 1.31 0.00 -0.30 0.00 0.00 42.92 41.55 2azu s ASP 98 CO 0.10 -0.23 2.06 0.58 -0.17 0.00 0.00 175.17 177.51 2azu h VAL 99 N 4.91 0.77 0.00 1.11 2.07 -1.65 -2.59 116.25 120.87 2azu h VAL 99 Ca -0.37 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 66.61 2azu h VAL 99 Cb 1.18 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 2azu h VAL 99 CO 0.78 0.13 0.00 -1.54 0.02 0.00 0.00 177.57 176.96 2azu n SER 100 N -3.90 0.00 -0.05 0.57 3.41 -1.26 -0.78 113.62 111.60 2azu n SER 100 Ca -0.02 -0.11 0.14 0.00 -0.26 0.00 0.00 58.87 58.62 2azu n SER 100 Cb 0.23 -0.11 0.63 0.00 -0.26 0.00 0.00 64.21 64.70 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 -1.11 0.45 -4.22 4.33 5.02 -0.98 -4.84 118.16 116.82 2azu n LYS 101 Ca 0.06 -0.11 -0.26 0.00 -2.02 0.00 0.00 58.31 55.98 2azu n LYS 101 Cb 0.05 -1.50 -0.08 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 -2.62 3.30 0.02 -0.35 1.43 0.04 -5.11 118.68 115.38 2azu s LEU 102 Ca 0.25 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 2azu s LEU 102 Cb 0.20 -1.94 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 2azu s LEU 102 CO 0.50 0.08 -0.04 -1.59 0.23 0.00 0.00 176.35 175.53 2azu s LYS 103 N -3.01 0.30 0.31 1.70 -2.85 -1.26 -5.04 119.74 109.89 2azu s LYS 103 Ca 0.28 -0.46 -0.29 0.00 -1.00 0.00 0.00 55.97 54.50 2azu s LYS 103 Cb -0.09 -0.06 -0.10 0.00 -2.06 0.00 0.00 37.83 35.52 2azu s LYS 103 CO 0.19 0.00 1.29 -2.00 0.10 0.00 0.00 175.35 174.92 2azu s GLU 104 N -1.01 4.39 0.00 1.78 2.12 -1.26 -3.09 118.70 121.63 2azu s GLU 104 Ca -0.09 2.16 0.00 0.00 0.36 0.00 0.00 54.97 57.40 2azu s GLU 104 Cb -0.07 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 31.23 2azu s GLU 104 CO -0.00 -0.15 0.00 0.41 -0.54 0.00 0.00 175.26 174.98 2azu n GLY 105 N 0.99 0.11 3.81 -1.50 0.00 -1.26 -5.07 105.19 102.26 2azu n GLY 105 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.00 3.21 -0.16 1.61 2.12 -1.18 -5.08 118.70 118.22 2azu s GLU 106 Ca 0.00 -0.36 -0.18 0.00 0.36 0.00 0.00 54.97 54.79 2azu s GLU 106 Cb 0.00 -2.97 -0.04 0.00 0.26 0.00 0.00 34.13 31.38 2azu s GLU 106 CO 0.00 0.69 0.49 -0.65 -0.54 0.00 0.00 175.26 175.26 2azu s GLN 107 N -1.48 4.25 0.17 4.30 -0.21 -1.26 -4.78 119.66 120.66 2azu s GLN 107 Ca 0.20 0.42 0.08 0.00 0.02 0.00 0.00 55.36 56.09 2azu s GLN 107 Cb -0.12 -3.51 -0.04 0.00 1.00 0.00 0.00 33.01 30.34 2azu s GLN 107 CO 0.11 -0.01 -0.08 0.71 -2.12 0.00 0.00 175.29 173.90 2azu s TYR 108 N 1.18 2.68 -0.01 0.91 2.02 -1.07 -1.18 117.35 121.88 2azu s TYR 108 Ca 0.25 -0.20 0.04 0.00 -0.37 0.00 0.00 57.07 56.78 2azu s TYR 108 Cb -0.15 -1.31 -0.01 0.00 -0.40 0.00 0.00 41.96 40.09 2azu s TYR 108 CO 0.10 0.51 -0.13 -1.64 -1.57 0.00 0.00 175.55 172.82 2azu s MET 109 N -2.81 1.02 0.14 -0.62 -1.94 -0.18 -1.29 119.30 113.63 2azu s MET 109 Ca 0.25 -0.46 0.06 0.00 -1.71 0.00 0.00 55.69 53.83 2azu s MET 109 Cb -0.09 -0.99 -0.04 0.00 2.01 0.00 0.00 34.83 35.72 2azu s MET 109 CO 0.16 0.27 0.03 -0.59 -0.01 0.00 0.00 175.02 174.88 2azu s PHE 110 N -0.31 2.97 0.15 -0.03 -0.12 0.20 -2.25 117.98 118.60 2azu s PHE 110 Ca 0.05 -0.07 -0.25 0.00 -0.05 0.00 0.00 56.93 56.61 2azu s PHE 110 Cb -0.05 -1.47 0.06 0.00 -0.63 0.00 0.00 43.02 40.93 2azu s PHE 110 CO -0.00 0.50 0.95 -0.59 -0.05 0.00 0.00 175.22 176.03 2azu s PHE 111 N -1.58 -0.14 -0.14 3.49 -0.12 -0.22 -0.66 117.98 118.61 2azu s PHE 111 Ca 0.28 -0.17 -0.04 0.00 -0.05 0.00 0.00 56.93 56.94 2azu s PHE 111 Cb -0.10 0.64 -0.03 0.00 -0.63 0.00 0.00 43.02 42.89 2azu s PHE 111 CO 0.20 -0.84 0.02 0.00 -0.05 0.00 0.00 175.22 174.55 2azu n THR 113 N 2.91 0.23 -1.81 0.00 -2.24 -1.26 -3.24 114.28 108.86 2azu n THR 113 Ca -0.18 -0.53 -0.41 0.00 -2.27 0.00 0.00 64.05 60.66 2azu n THR 113 Cb 0.53 0.95 -0.01 0.00 -2.10 0.00 0.00 70.33 69.69 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 -1.77 2.74 -0.19 4.78 2.19 -1.26 -4.41 117.98 120.06 2azu s PHE 114 Ca 0.34 0.91 -0.39 0.00 0.33 0.00 0.00 56.93 58.12 2azu s PHE 114 Cb 0.21 -4.03 -0.16 0.00 -1.31 0.00 0.00 43.02 37.73 2azu s PHE 114 CO 0.30 -3.32 1.67 -2.30 1.83 0.00 0.00 175.22 173.40 2azu n PRO 115 N 1.74 1.21 0.00 10.12 -0.02 -1.26 -1.55 135.00 145.25 2azu n PRO 115 Ca 0.06 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 2azu n PRO 115 Cb 0.38 -2.12 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 3.85 3.05 0.23 -1.23 0.00 -1.26 -4.88 105.19 104.95 2azu n GLY 116 Ca 0.25 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.36 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 -1.55 -2.92 115.15 116.15 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 0.21 -0.03 0.66 0.86 0.00 0.00 177.93 179.63 2azu h SER 118 N 0.00 0.00 -0.97 2.45 4.64 -1.74 0.18 113.55 118.11 2azu h SER 118 Ca -0.00 0.00 0.21 0.00 -0.47 0.00 0.00 61.79 61.53 2azu h SER 118 Cb 0.48 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.46 2azu h SER 118 CO 0.03 0.03 0.56 0.00 -0.87 0.00 0.00 176.83 176.57 2azu h ALA 119 N 1.97 1.64 0.00 5.18 0.00 -1.87 -3.24 119.26 122.95 2azu h ALA 119 Ca -0.00 0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 2azu h ALA 119 Cb 0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2azu h ALA 119 CO 0.00 -0.17 -1.55 1.28 0.00 0.00 0.00 179.25 178.81 2azu n LEU 120 N -4.86 0.66 -4.42 0.00 4.77 -0.88 -4.87 117.00 107.40 2azu n LEU 120 Ca 0.24 -0.01 -0.44 0.00 -0.03 0.00 0.00 56.01 55.76 2azu n LEU 120 Cb 0.63 0.07 -0.00 0.00 -2.33 0.00 0.00 43.42 41.79 2azu n LEU 120 CO 0.18 0.30 1.11 -0.04 -1.33 0.00 0.00 177.39 177.62 2azu s MET 121 N -2.19 4.06 -0.01 3.23 -1.94 0.59 -4.64 119.30 118.39 2azu s MET 121 Ca -0.06 -2.70 -0.23 0.00 -1.71 0.00 0.00 55.69 50.99 2azu s MET 121 Cb 0.03 -4.86 0.05 0.00 2.01 0.00 0.00 34.83 32.06 2azu s MET 121 CO 0.30 -1.58 0.50 -1.59 -0.01 0.00 0.00 175.02 172.65 2azu s LYS 122 N 0.70 0.90 0.28 2.03 -2.85 -1.26 -2.11 119.74 117.45 2azu s LYS 122 Ca 0.37 -0.03 -0.20 0.00 -1.00 0.00 0.00 55.97 55.10 2azu s LYS 122 Cb -0.06 0.41 0.03 0.00 -2.06 0.00 0.00 37.83 36.16 2azu s LYS 122 CO -0.04 -0.28 0.77 0.20 0.10 0.00 0.00 175.35 176.10 2azu s GLY 123 N -1.43 -0.00 0.19 0.59 0.00 0.17 -4.70 107.32 102.13 2azu s GLY 123 Ca -0.11 -0.35 -0.02 0.00 0.00 0.00 0.00 44.72 44.24 2azu s GLY 123 CO 0.05 -0.05 0.39 -0.51 0.00 0.00 0.00 173.10 172.99 2azu s THR 124 N -3.45 5.19 -0.00 0.90 -4.23 -0.66 -0.62 115.64 112.77 2azu s THR 124 Ca 0.12 -0.25 0.01 0.00 -1.18 0.00 0.00 61.69 60.40 2azu s THR 124 Cb -0.05 -3.71 -0.00 0.00 1.34 0.00 0.00 72.50 70.08 2azu s THR 124 CO 0.07 -0.13 -0.04 -0.22 -0.54 0.00 0.00 174.62 173.76 2azu s LEU 125 N -3.17 1.98 -0.12 4.79 0.20 -0.41 -1.12 118.68 120.83 2azu s LEU 125 Ca 0.39 -0.08 -0.12 0.00 0.69 0.00 0.00 54.13 55.01 2azu s LEU 125 Cb -0.11 -0.23 0.03 0.00 -0.43 0.00 0.00 46.19 45.45 2azu s LEU 125 CO 0.28 0.05 0.34 0.28 -0.29 0.00 0.00 176.35 177.01 2azu s THR 126 N -0.07 0.00 -0.31 3.68 -1.32 -0.95 -2.61 115.64 114.06 2azu s THR 126 Ca 0.01 -0.03 -0.25 0.00 -1.21 0.00 0.00 61.69 60.21 2azu s THR 126 Cb -0.02 -0.48 0.01 0.00 -1.51 0.00 0.00 72.50 70.49 2azu s THR 126 CO -0.00 -0.02 0.89 -0.22 -2.21 0.00 0.00 174.62 173.06 2azu s LEU 127 N 0.08 4.04 0.00 9.08 1.98 -1.26 -0.49 118.68 132.11 2azu s LEU 127 Ca -0.01 0.80 0.00 0.00 -2.89 0.00 0.00 54.13 52.03 2azu s LEU 127 Cb -0.03 -3.24 0.00 0.00 0.66 0.00 0.00 46.19 43.58 2azu s LEU 127 CO 0.01 -0.71 0.11 0.29 -1.89 0.00 0.00 176.35 174.16