#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5azu n GLU 2 N 0.00 0.00 -1.44 0.00 4.07 -1.26 -4.06 120.64 117.95 5azu n GLU 2 Ca 0.00 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 56.79 5azu n GLU 2 Cb 0.00 0.00 0.08 0.00 -0.06 0.00 0.00 31.44 31.46 5azu n GLU 2 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 5azu s SER 4 N -2.17 -0.08 -0.04 0.00 1.04 -1.26 -1.01 113.70 110.19 5azu s SER 4 Ca 0.61 -0.41 -0.08 0.00 0.48 0.00 0.00 55.95 56.55 5azu s SER 4 Cb 0.48 0.40 0.01 0.00 0.10 0.00 0.00 66.02 67.01 5azu s SER 4 CO 0.01 -0.76 0.18 0.54 0.98 0.00 0.00 173.24 174.20 5azu s VAL 5 N -3.56 0.04 -0.15 5.02 0.11 -0.41 -4.93 120.40 116.52 5azu s VAL 5 Ca 0.02 -0.33 -0.04 0.00 -2.93 0.00 0.00 61.98 58.71 5azu s VAL 5 Cb 0.02 -0.37 -0.03 0.00 -1.53 0.00 0.00 36.38 34.47 5azu s VAL 5 CO -0.10 -0.18 -0.03 -1.81 -3.33 0.00 0.00 175.10 169.65 5azu s ASP 6 N -0.63 4.85 0.02 3.54 1.01 -1.26 -0.47 116.67 123.73 5azu s ASP 6 Ca -0.07 -0.10 0.05 0.00 0.71 0.00 0.00 52.55 53.14 5azu s ASP 6 Cb -0.04 -1.74 -0.02 0.00 1.01 0.00 0.00 42.92 42.13 5azu s ASP 6 CO 0.01 0.19 -0.15 -0.63 0.21 0.00 0.00 175.17 174.80 5azu s ILE 7 N 0.23 1.22 0.03 0.77 1.01 0.60 -4.93 121.20 120.12 5azu s ILE 7 Ca -0.02 -0.87 0.08 0.00 0.00 0.00 0.00 60.65 59.84 5azu s ILE 7 Cb -0.14 -1.06 -0.02 0.00 0.01 0.00 0.00 42.46 41.25 5azu s ILE 7 CO 0.03 0.18 -0.23 -1.10 0.00 0.00 0.00 174.94 173.82 5azu s GLN 8 N -0.80 1.57 -0.10 2.79 -0.21 -1.26 -1.28 119.66 120.37 5azu s GLN 8 Ca 0.04 -0.97 0.03 0.00 0.02 0.00 0.00 55.36 54.49 5azu s GLN 8 Cb -0.07 -1.68 0.01 0.00 1.00 0.00 0.00 33.01 32.27 5azu s GLN 8 CO 0.01 0.44 -0.20 0.20 -2.12 0.00 0.00 175.29 173.61 5azu s GLY 9 N -1.09 1.18 0.00 3.09 0.00 -0.79 -2.11 107.32 107.61 5azu s GLY 9 Ca 0.09 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 43.97 5azu s GLY 9 CO 0.01 -0.09 0.00 1.16 0.00 0.00 0.00 173.10 174.19 5azu n ASN 10 N 3.80 1.34 0.00 1.64 0.23 -0.99 -3.86 115.26 117.42 5azu n ASN 10 Ca -0.20 -0.90 0.13 0.00 -0.53 0.00 0.00 54.58 53.08 5azu n ASN 10 Cb 0.52 0.00 0.74 0.00 -2.08 0.00 0.00 39.78 38.97 5azu n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 5azu n ASP 11 N -1.49 0.00 -0.88 0.53 8.00 -1.26 -2.78 116.55 118.67 5azu n ASP 11 Ca 0.00 -0.48 0.11 0.00 0.71 0.00 0.00 54.79 55.13 5azu n ASP 11 Cb 0.00 -0.14 0.28 0.00 -0.02 0.00 0.00 41.12 41.24 5azu n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 5azu n GLN 12 N -1.14 2.15 -3.20 -1.24 1.13 -1.26 -4.94 117.38 108.88 5azu n GLN 12 Ca 0.17 -1.73 -0.15 0.00 -1.94 0.00 0.00 57.00 53.34 5azu n GLN 12 Cb 0.15 -1.45 0.06 0.00 0.11 0.00 0.00 30.24 29.11 5azu n GLN 12 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 5azu n MET 13 N 0.96 -5.50 -4.05 -1.09 0.00 -1.12 -5.02 117.12 101.29 5azu n MET 13 Ca 0.18 0.64 -0.12 0.00 0.00 0.00 0.00 57.70 58.39 5azu n MET 13 Cb 0.48 -5.06 -0.11 0.00 0.00 0.00 0.00 33.22 28.52 5azu n MET 13 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 5azu s GLN 14 N -5.47 0.49 0.41 2.12 -0.21 -1.26 -4.30 119.66 111.43 5azu s GLN 14 Ca 0.20 -0.73 -0.02 0.00 0.02 0.00 0.00 55.36 54.84 5azu s GLN 14 Cb -0.09 -0.23 -0.03 0.00 1.00 0.00 0.00 33.01 33.66 5azu s GLN 14 CO 0.55 0.03 0.65 -0.06 -2.12 0.00 0.00 175.29 174.35 5azu s PHE 15 N -1.38 3.49 -2.24 0.91 0.08 -1.26 -2.34 117.98 115.24 5azu s PHE 15 Ca -0.11 0.51 0.30 0.00 0.12 0.00 0.00 56.93 57.75 5azu s PHE 15 Cb -0.10 -2.10 1.40 0.00 -0.57 0.00 0.00 43.02 41.65 5azu s PHE 15 CO 0.00 -0.10 1.94 0.27 -0.10 0.00 0.00 175.22 177.24 5azu n ASN 16 N -2.01 0.84 -3.74 1.36 6.94 -0.90 -4.83 115.26 112.92 5azu n ASN 16 Ca -0.02 -1.24 -0.12 0.00 -0.02 0.00 0.00 54.58 53.17 5azu n ASN 16 Cb 0.56 -0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.90 5azu n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 5azu s THR 17 N -2.03 0.07 -0.04 5.53 -1.32 -1.26 -5.01 115.64 111.58 5azu s THR 17 Ca 0.41 -0.58 0.06 0.00 -1.21 0.00 0.00 61.69 60.37 5azu s THR 17 Cb 0.21 -0.83 0.09 0.00 -1.51 0.00 0.00 72.50 70.46 5azu s THR 17 CO 0.36 -0.32 1.00 0.59 -2.21 0.00 0.00 174.62 174.04 5azu n ASN 18 N 0.81 1.80 -3.68 8.08 4.13 -1.26 -4.81 115.26 120.33 5azu n ASN 18 Ca -0.20 -2.25 -0.10 0.00 1.68 0.00 0.00 54.58 53.72 5azu n ASN 18 Cb 0.58 -0.15 -0.09 0.00 -1.54 0.00 0.00 39.78 38.58 5azu n ASN 18 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 5azu s ALA 19 N -1.44 -1.36 -0.05 5.41 0.00 -1.26 -1.99 121.76 121.07 5azu s ALA 19 Ca 0.10 1.83 0.02 0.00 0.00 0.00 0.00 51.96 53.91 5azu s ALA 19 Cb 0.09 -1.09 0.01 0.00 0.00 0.00 0.00 23.12 22.13 5azu s ALA 19 CO 0.01 -0.30 -0.09 0.42 0.00 0.00 0.00 175.76 175.80 5azu s ILE 20 N 1.35 0.87 -0.16 0.00 1.01 -0.40 -4.96 121.20 118.91 5azu s ILE 20 Ca -0.09 -0.33 -0.01 0.00 0.00 0.00 0.00 60.65 60.22 5azu s ILE 20 Cb -0.07 -0.81 -0.01 0.00 0.01 0.00 0.00 42.46 41.58 5azu s ILE 20 CO -0.14 0.29 -0.11 -0.89 0.00 0.00 0.00 174.94 174.09 5azu s THR 21 N 0.67 3.06 -0.23 2.92 2.01 -1.26 -1.19 115.64 121.61 5azu s THR 21 Ca -0.12 -0.64 -0.08 0.00 0.31 0.00 0.00 61.69 61.17 5azu s THR 21 Cb -0.14 -2.31 -0.03 0.00 0.01 0.00 0.00 72.50 70.02 5azu s THR 21 CO 0.02 0.50 0.08 -0.69 -0.69 0.00 0.00 174.62 173.84 5azu s VAL 22 N 0.71 4.56 0.04 3.82 1.01 0.40 -4.95 120.40 125.99 5azu s VAL 22 Ca -0.05 -0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.52 5azu s VAL 22 Cb -0.15 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 5azu s VAL 22 CO 0.02 0.37 1.21 -0.62 0.00 0.00 0.00 175.10 176.08 5azu s ASP 23 N 1.19 7.06 0.54 3.32 -1.08 -1.26 -1.08 116.67 125.36 5azu s ASP 23 Ca 0.05 1.99 0.35 0.00 -0.52 0.00 0.00 52.55 54.41 5azu s ASP 23 Cb -0.14 -2.57 1.52 0.00 -1.46 0.00 0.00 42.92 40.27 5azu s ASP 23 CO 0.04 -0.51 1.84 0.50 0.52 0.00 0.00 175.17 177.56 5azu h LYS 24 N 6.99 0.00 0.00 4.34 3.64 -1.62 -0.71 116.57 129.21 5azu h LYS 24 Ca -0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 5azu h LYS 24 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 5azu h LYS 24 CO 0.83 0.00 0.00 -1.13 -2.27 0.00 0.00 179.45 176.88 5azu n SER 25 N -4.21 0.48 -4.72 4.20 3.41 -1.26 -4.81 113.62 106.70 5azu n SER 25 Ca 0.22 0.57 -0.42 0.00 -0.26 0.00 0.00 58.87 58.99 5azu n SER 25 Cb 1.12 -0.69 -0.03 0.00 -0.26 0.00 0.00 64.21 64.35 5azu n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 5azu h LYS 27 N 6.18 0.05 -4.36 0.00 6.56 -1.89 -3.42 116.57 119.69 5azu h LYS 27 Ca -0.43 -0.08 -0.18 0.00 -1.06 0.00 0.00 60.65 58.90 5azu h LYS 27 Cb 1.21 0.03 -0.14 0.00 -0.57 0.00 0.00 32.23 32.76 5azu h LYS 27 CO 0.82 1.03 -0.57 1.14 -2.06 0.00 0.00 179.45 179.80 5azu s GLN 28 N -2.73 1.04 -0.08 3.15 -2.07 -1.26 -1.96 119.66 115.75 5azu s GLN 28 Ca 0.00 -1.44 -0.06 0.00 -1.82 0.00 0.00 55.36 52.04 5azu s GLN 28 Cb 0.10 0.28 0.03 0.00 -1.09 0.00 0.00 33.01 32.32 5azu s GLN 28 CO 0.83 -0.33 0.21 0.12 -1.32 0.00 0.00 175.29 174.80 5azu s PHE 29 N -4.06 -0.24 -0.07 9.60 5.36 -0.34 -4.83 117.98 123.40 5azu s PHE 29 Ca 0.26 0.59 0.04 0.00 -0.96 0.00 0.00 56.93 56.86 5azu s PHE 29 Cb 0.06 0.06 -0.02 0.00 -0.34 0.00 0.00 43.02 42.78 5azu s PHE 29 CO 0.04 -0.14 -0.18 0.99 -1.46 0.00 0.00 175.22 174.47 5azu s THR 30 N 0.43 2.70 -0.16 0.12 2.01 -0.18 -0.73 115.64 119.83 5azu s THR 30 Ca -0.03 -0.83 -0.03 0.00 0.31 0.00 0.00 61.69 61.11 5azu s THR 30 Cb -0.04 -2.05 -0.02 0.00 0.01 0.00 0.00 72.50 70.39 5azu s THR 30 CO -0.02 0.57 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.74 5azu s VAL 31 N -0.24 3.76 -0.29 3.82 1.01 0.02 -1.29 120.40 127.18 5azu s VAL 31 Ca 0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 5azu s VAL 31 Cb -0.13 -2.65 0.03 0.00 0.00 0.00 0.00 36.38 33.63 5azu s VAL 31 CO 0.03 0.48 0.02 0.20 0.00 0.00 0.00 175.10 175.83 5azu s ASN 32 N 0.53 4.88 -0.10 3.32 0.01 0.38 -1.68 114.94 122.28 5azu s ASN 32 Ca -0.04 -1.05 -0.03 0.00 -0.71 0.00 0.00 52.86 51.04 5azu s ASN 32 Cb -0.14 -1.76 -0.03 0.00 0.41 0.00 0.00 41.25 39.72 5azu s ASN 32 CO 0.03 -0.23 0.03 -0.22 -1.51 0.00 0.00 177.10 175.19 5azu s LEU 33 N 1.35 3.71 0.06 0.60 2.96 -0.00 -0.29 118.68 127.06 5azu s LEU 33 Ca -0.02 0.18 0.01 0.00 -0.22 0.00 0.00 54.13 54.08 5azu s LEU 33 Cb -0.18 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 5azu s LEU 33 CO -0.00 0.36 -0.05 -0.94 -1.32 0.00 0.00 176.35 174.39 5azu s SER 34 N -0.76 0.79 -0.44 3.68 1.04 -0.41 -1.21 113.70 116.39 5azu s SER 34 Ca 0.12 -0.83 0.01 0.00 0.48 0.00 0.00 55.95 55.73 5azu s SER 34 Cb -0.12 0.11 0.12 0.00 0.10 0.00 0.00 66.02 66.23 5azu s SER 34 CO 0.02 -0.42 0.20 -2.28 0.98 0.00 0.00 173.24 171.74 5azu s HIS 35 N -2.89 3.54 -1.69 5.02 2.46 -0.72 -1.88 115.29 119.13 5azu s HIS 35 Ca 0.02 -2.84 0.16 0.00 0.47 0.00 0.00 55.06 52.87 5azu s HIS 35 Cb 0.00 -3.03 0.90 0.00 -0.13 0.00 0.00 32.58 30.33 5azu s HIS 35 CO -0.04 -0.90 1.44 -0.35 -2.47 0.00 0.00 174.74 172.42 5azu n PRO 36 N 3.98 0.37 -0.02 2.88 -0.04 -1.25 -1.27 135.00 139.65 5azu n PRO 36 Ca 0.03 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 5azu n PRO 36 Cb 0.39 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 5azu n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 5azu n GLY 37 N 0.07 -0.97 0.00 0.55 0.00 -1.26 -4.88 105.19 98.69 5azu n GLY 37 Ca 0.10 -1.67 0.02 0.00 0.00 0.00 0.00 46.02 44.47 5azu n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 5azu n ASN 38 N -2.35 0.90 -4.79 1.61 3.02 -1.26 -3.80 115.26 108.59 5azu n ASN 38 Ca 0.00 -0.49 -0.37 0.00 -0.03 0.00 0.00 54.58 53.69 5azu n ASN 38 Cb 0.00 1.04 -0.06 0.00 -0.61 0.00 0.00 39.78 40.14 5azu n ASN 38 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 5azu s LEU 39 N -2.40 4.39 0.74 3.41 1.43 -1.26 -4.82 118.68 120.17 5azu s LEU 39 Ca 0.01 1.71 -0.13 0.00 -1.03 0.00 0.00 54.13 54.69 5azu s LEU 39 Cb 0.03 -3.80 0.04 0.00 0.03 0.00 0.00 46.19 42.50 5azu s LEU 39 CO 0.17 0.00 1.12 -2.16 0.23 0.00 0.00 176.35 175.72 5azu s PRO 40 N -1.88 2.30 0.45 1.29 0.04 -1.26 -1.98 135.00 133.95 5azu s PRO 40 Ca 0.46 1.37 0.15 0.00 0.04 0.00 0.00 61.00 63.02 5azu s PRO 40 Cb -0.19 -1.89 1.07 0.00 0.04 0.00 0.00 34.50 33.54 5azu s PRO 40 CO 0.24 -1.64 2.00 -0.22 0.04 0.00 0.00 177.00 177.42 5azu h LYS 41 N -0.67 0.34 0.00 4.56 3.64 -1.85 -0.50 116.57 122.08 5azu h LYS 41 Ca -0.45 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 5azu h LYS 41 Cb 1.25 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 5azu h LYS 41 CO 0.51 0.22 0.00 0.27 -2.27 0.00 0.00 179.45 178.18 5azu n ASN 42 N -4.46 0.00 0.00 4.20 6.94 -1.26 -1.18 115.26 119.49 5azu n ASN 42 Ca 0.09 -0.12 0.00 0.00 -0.02 0.00 0.00 54.58 54.52 5azu n ASN 42 Cb 0.36 -0.25 0.00 0.00 -2.36 0.00 0.00 39.78 37.53 5azu n ASN 42 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 5azu n VAL 43 N -1.25 0.00 -2.71 3.53 0.31 -0.79 -4.86 118.33 112.55 5azu n VAL 43 Ca 0.12 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.38 5azu n VAL 43 Cb 0.17 -0.65 0.05 0.00 -0.91 0.00 0.00 33.84 32.50 5azu n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 5azu n MET 44 N -1.82 1.30 -2.41 5.55 0.00 -0.26 -5.04 117.12 114.44 5azu n MET 44 Ca 0.00 -3.13 -0.37 0.00 -0.00 0.00 0.00 57.70 54.21 5azu n MET 44 Cb 0.38 -1.17 -0.03 0.00 0.00 0.00 0.00 33.22 32.40 5azu n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 5azu s GLY 45 N -3.06 2.75 0.05 -5.12 0.00 -0.33 -4.71 107.32 96.90 5azu s GLY 45 Ca 0.26 0.81 0.03 0.00 0.00 0.00 0.00 44.72 45.82 5azu s GLY 45 CO 0.00 1.25 -0.10 0.30 0.00 0.00 0.00 173.10 174.55 5azu s HIS 46 N -1.61 0.89 0.21 1.90 3.76 -0.45 -4.68 115.29 115.31 5azu s HIS 46 Ca 0.61 -0.49 -0.01 0.00 -0.15 0.00 0.00 55.06 55.01 5azu s HIS 46 Cb -0.25 -0.52 -0.04 0.00 1.11 0.00 0.00 32.58 32.89 5azu s HIS 46 CO 0.31 -0.03 0.16 0.54 -0.85 0.00 0.00 174.74 174.87 5azu s ASN 47 N -1.66 0.20 -0.18 1.40 6.03 -1.26 -0.50 114.94 118.96 5azu s ASN 47 Ca -0.07 -1.37 0.01 0.00 -1.03 0.00 0.00 52.86 50.40 5azu s ASN 47 Cb -0.10 0.40 0.02 0.00 -3.03 0.00 0.00 41.25 38.54 5azu s ASN 47 CO 0.01 -0.87 -0.20 0.86 -2.03 0.00 0.00 177.10 174.87 5azu s TRP 48 N -4.12 2.79 -0.03 1.54 -0.00 -1.26 -4.07 118.94 113.80 5azu s TRP 48 Ca 0.38 -1.66 0.06 0.00 -0.00 0.00 0.00 56.10 54.88 5azu s TRP 48 Cb 0.06 -1.92 -0.01 0.00 -0.00 0.00 0.00 33.47 31.60 5azu s TRP 48 CO 0.12 -0.81 -0.21 0.08 -0.00 0.00 0.00 176.95 176.13 5azu s VAL 49 N 1.29 1.71 -0.08 5.86 1.01 -0.02 -1.41 120.40 128.76 5azu s VAL 49 Ca 0.05 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.15 5azu s VAL 49 Cb -0.13 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 5azu s VAL 49 CO -0.13 0.48 -0.16 -0.22 0.00 0.00 0.00 175.10 175.07 5azu s LEU 50 N -0.34 2.57 0.00 3.92 2.96 -0.15 -1.37 118.68 126.28 5azu s LEU 50 Ca 0.04 -0.31 -0.07 0.00 -0.22 0.00 0.00 54.13 53.56 5azu s LEU 50 Cb -0.10 -1.53 0.03 0.00 0.50 0.00 0.00 46.19 45.09 5azu s LEU 50 CO 0.01 0.26 0.63 -1.54 -1.32 0.00 0.00 176.35 174.38 5azu n SER 51 N 2.87 -1.78 -4.81 3.68 3.41 -0.86 -0.93 113.62 115.20 5azu n SER 51 Ca -0.18 -2.83 -0.31 0.00 -0.26 0.00 0.00 58.87 55.30 5azu n SER 51 Cb 0.52 3.14 0.07 0.00 -0.26 0.00 0.00 64.21 67.68 5azu n SER 51 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 5azu s THR 52 N -2.53 3.68 0.21 6.66 -4.23 -1.26 -1.36 115.64 116.81 5azu s THR 52 Ca 0.25 0.55 -0.10 0.00 -1.18 0.00 0.00 61.69 61.20 5azu s THR 52 Cb -0.03 -3.25 0.17 0.00 1.34 0.00 0.00 72.50 70.73 5azu s THR 52 CO 0.18 -0.71 1.88 0.00 -0.54 0.00 0.00 174.62 175.43 5azu h ALA 53 N -0.88 0.99 -0.02 3.99 0.00 -1.44 -2.05 119.26 119.85 5azu h ALA 53 Ca -0.45 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 5azu h ALA 53 Cb 1.23 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 5azu h ALA 53 CO 0.57 0.42 -0.08 0.00 0.00 0.00 0.00 179.25 180.16 5azu h ALA 54 N 1.28 1.83 -0.00 0.00 0.00 -1.93 -2.60 119.26 117.85 5azu h ALA 54 Ca 0.29 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.11 5azu h ALA 54 Cb -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.66 5azu h ALA 54 CO -0.06 0.13 -0.47 -0.25 0.00 0.00 0.00 179.25 178.60 5azu n ASP 55 N -4.43 0.58 -0.16 0.00 8.00 -0.81 -4.51 116.55 115.22 5azu n ASP 55 Ca -0.02 -0.34 -0.02 0.00 0.71 0.00 0.00 54.79 55.11 5azu n ASP 55 Cb 0.17 0.23 0.07 0.00 -0.02 0.00 0.00 41.12 41.57 5azu n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 5azu h MET 56 N 0.17 0.19 -0.69 -1.24 4.05 -1.07 -2.07 114.93 114.27 5azu h MET 56 Ca 0.00 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.40 5azu h MET 56 Cb 0.50 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.22 5azu h MET 56 CO 0.00 0.13 0.39 0.37 0.23 0.00 0.00 176.91 178.02 5azu h GLN 57 N 0.20 0.96 -0.55 0.39 5.75 -1.79 -0.05 115.11 120.02 5azu h GLN 57 Ca 0.25 -0.11 -0.11 0.00 -0.15 0.00 0.00 58.65 58.53 5azu h GLN 57 Cb 0.35 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 5azu h GLN 57 CO -0.35 0.72 -0.09 0.78 -2.65 0.00 0.00 178.83 177.23 5azu h GLY 58 N 0.95 1.13 0.93 2.39 0.00 -1.74 -0.69 103.07 106.03 5azu h GLY 58 Ca 0.25 -0.90 -0.02 0.00 0.00 0.00 0.00 47.33 46.66 5azu h GLY 58 CO -0.04 0.82 0.14 -2.08 0.00 0.00 0.00 176.54 175.38 5azu h VAL 59 N 0.92 1.19 -0.45 4.60 2.07 -0.74 -0.22 116.25 123.62 5azu h VAL 59 Ca 0.15 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 5azu h VAL 59 Cb 0.66 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 5azu h VAL 59 CO 0.05 0.20 0.20 0.58 0.02 0.00 0.00 177.57 178.62 5azu h VAL 60 N 0.41 1.20 -0.38 2.57 2.07 -0.87 0.06 116.25 121.29 5azu h VAL 60 Ca 0.11 -0.58 -0.13 0.00 0.82 0.00 0.00 66.70 66.92 5azu h VAL 60 Cb 0.19 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 5azu h VAL 60 CO -0.01 0.22 -0.27 0.74 0.02 0.00 0.00 177.57 178.27 5azu h THR 61 N 0.59 1.28 0.00 2.57 2.02 -0.94 -0.52 112.91 117.91 5azu h THR 61 Ca 0.15 -1.43 -0.14 0.00 0.77 0.00 0.00 66.41 65.76 5azu h THR 61 Cb 0.16 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 5azu h THR 61 CO -0.02 0.48 -0.65 0.44 0.37 0.00 0.00 175.52 176.14 5azu h ASP 62 N 0.67 0.00 -0.15 4.18 3.32 -1.03 -2.85 116.42 120.57 5azu h ASP 62 Ca 0.07 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 5azu h ASP 62 Cb 0.85 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 5azu h ASP 62 CO 0.07 0.65 0.05 1.23 -1.72 0.00 0.00 179.24 179.52 5azu h GLY 63 N 2.20 0.24 0.33 2.75 0.00 -0.73 -1.62 103.07 106.24 5azu h GLY 63 Ca -0.01 -0.14 0.10 0.00 0.00 0.00 0.00 47.33 47.29 5azu h GLY 63 CO 0.08 0.13 0.21 1.98 0.00 0.00 0.00 176.54 178.94 5azu h MET 64 N 0.07 0.36 -0.24 4.80 1.85 -1.07 -1.78 114.93 118.91 5azu h MET 64 Ca 0.05 -0.02 -0.06 0.00 -0.61 0.00 0.00 59.70 59.05 5azu h MET 64 Cb 0.20 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.13 5azu h MET 64 CO -0.00 0.24 -0.12 0.00 -0.40 0.00 0.00 176.91 176.63 5azu h ALA 65 N 1.44 1.35 0.00 0.39 0.00 -1.25 -3.11 119.26 118.08 5azu h ALA 65 Ca 0.31 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 5azu h ALA 65 Cb 0.41 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 5azu h ALA 65 CO -0.33 0.44 -0.25 0.77 0.00 0.00 0.00 179.25 179.88 5azu h SER 66 N 0.38 0.00 -4.73 0.00 0.02 -0.37 -3.49 113.55 105.35 5azu h SER 66 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 5azu h SER 66 Cb 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 5azu h SER 66 CO 0.02 0.25 0.00 0.61 -1.14 0.00 0.00 176.83 176.57 5azu n GLY 67 N -0.43 0.53 0.37 -3.77 0.00 -1.18 -4.23 105.19 96.48 5azu n GLY 67 Ca -0.01 -1.86 0.03 0.00 0.00 0.00 0.00 46.02 44.18 5azu n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 5azu h LEU 68 N 0.00 1.02 -2.28 0.99 5.85 -1.91 -0.56 115.31 118.42 5azu h LEU 68 Ca 0.00 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 5azu h LEU 68 Cb 0.00 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.82 5azu h LEU 68 CO 0.00 0.66 -0.05 -0.78 -0.34 0.00 0.00 178.44 177.93 5azu h ASP 69 N 1.16 0.00 -0.49 1.25 3.58 -2.01 -1.28 116.42 118.63 5azu h ASP 69 Ca 0.42 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.87 5azu h ASP 69 Cb 0.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.21 5azu h ASP 69 CO -0.17 0.05 0.00 0.29 -2.88 0.00 0.00 179.24 176.53 5azu n LYS 70 N -3.60 3.77 -2.93 0.28 4.76 -0.71 -4.93 118.16 114.80 5azu n LYS 70 Ca -0.02 -2.88 -0.21 0.00 -2.87 0.00 0.00 58.31 52.33 5azu n LYS 70 Cb 0.15 -1.93 0.02 0.00 -1.84 0.00 0.00 35.03 31.43 5azu n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 5azu n ASP 71 N 0.45 -5.51 -4.16 4.39 9.92 -0.48 -2.11 116.55 119.05 5azu n ASP 71 Ca 0.24 -0.22 -0.35 0.00 -0.53 0.00 0.00 54.79 53.93 5azu n ASP 71 Cb 0.94 -4.50 -0.02 0.00 -0.64 0.00 0.00 41.12 36.90 5azu n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 5azu n TYR 72 N -4.24 -1.85 -4.43 1.24 4.01 -0.30 -4.73 117.16 106.87 5azu n TYR 72 Ca -0.12 0.81 -0.19 0.00 -0.16 0.00 0.00 57.90 58.24 5azu n TYR 72 Cb 0.62 -3.11 -0.15 0.00 -0.31 0.00 0.00 39.34 36.39 5azu n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 5azu s LEU 73 N -7.26 2.04 0.16 7.72 1.43 -0.90 -4.12 118.68 117.75 5azu s LEU 73 Ca 0.74 -0.23 -0.31 0.00 -1.03 0.00 0.00 54.13 53.30 5azu s LEU 73 Cb -0.40 -0.53 -0.09 0.00 0.03 0.00 0.00 46.19 45.20 5azu s LEU 73 CO 0.90 0.11 1.44 -0.75 0.23 0.00 0.00 176.35 178.29 5azu s LYS 74 N -0.38 4.29 0.25 1.70 2.20 -1.26 -4.79 119.74 121.75 5azu s LYS 74 Ca 0.03 2.19 -0.31 0.00 -0.36 0.00 0.00 55.97 57.52 5azu s LYS 74 Cb -0.05 -3.20 -0.13 0.00 -1.51 0.00 0.00 37.83 32.95 5azu s LYS 74 CO -0.00 -0.47 1.52 -2.30 -0.36 0.00 0.00 175.35 173.74 5azu n PRO 75 N 3.62 2.36 -2.80 4.03 -0.02 -1.26 -2.50 135.00 138.44 5azu n PRO 75 Ca 0.11 0.84 -0.17 0.00 -2.02 0.00 0.00 63.50 62.26 5azu n PRO 75 Cb 0.41 -2.57 -0.00 0.00 -0.02 0.00 0.00 33.50 31.32 5azu n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 5azu n ASP 76 N 2.42 -4.20 -4.62 2.55 8.00 -1.26 -4.86 116.55 114.58 5azu n ASP 76 Ca 0.11 -0.05 -0.43 0.00 0.71 0.00 0.00 54.79 55.13 5azu n ASP 76 Cb 0.33 -3.51 -0.03 0.00 -0.02 0.00 0.00 41.12 37.90 5azu n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 5azu s ASP 77 N -2.33 5.93 0.39 -2.24 -1.08 -1.04 -4.87 116.67 111.44 5azu s ASP 77 Ca 0.16 2.04 0.28 0.00 -0.52 0.00 0.00 52.55 54.51 5azu s ASP 77 Cb -0.08 -2.52 1.29 0.00 -1.46 0.00 0.00 42.92 40.14 5azu s ASP 77 CO 0.20 -1.56 1.85 0.77 0.52 0.00 0.00 175.17 176.95 5azu h SER 78 N 12.89 0.00 1.36 -0.34 4.64 -1.92 -2.59 113.55 127.58 5azu h SER 78 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 5azu h SER 78 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 5azu h SER 78 CO 0.97 0.00 0.00 0.03 -0.87 0.00 0.00 176.83 176.96 5azu h ARG 79 N 0.00 0.00 -6.08 4.77 3.08 -1.97 -3.43 114.38 110.75 5azu h ARG 79 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 5azu h ARG 79 Cb 0.29 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.24 5azu h ARG 79 CO 0.00 0.00 0.55 0.08 -1.07 0.00 0.00 179.97 179.53 5azu s VAL 80 N -3.19 4.52 0.07 2.04 1.01 -0.98 -4.47 120.40 119.41 5azu s VAL 80 Ca 0.08 0.77 -0.19 0.00 0.00 0.00 0.00 61.98 62.65 5azu s VAL 80 Cb 0.11 -4.40 -0.11 0.00 0.00 0.00 0.00 36.38 31.98 5azu s VAL 80 CO 0.56 -0.76 1.41 0.40 0.00 0.00 0.00 175.10 176.71 5azu h ILE 81 N 6.02 1.31 -2.40 2.22 2.04 -1.31 -3.48 117.51 121.91 5azu h ILE 81 Ca -0.24 -1.22 -0.05 0.00 1.00 0.00 0.00 64.86 64.35 5azu h ILE 81 Cb 1.08 1.65 -0.17 0.00 -0.74 0.00 0.00 36.82 38.64 5azu h ILE 81 CO 1.01 0.37 0.15 0.00 0.00 0.00 0.00 178.15 179.68 5azu s ALA 82 N -4.52 -1.62 0.13 1.87 0.00 -1.24 -5.01 121.76 111.37 5azu s ALA 82 Ca -0.14 0.97 -0.23 0.00 0.00 0.00 0.00 51.96 52.56 5azu s ALA 82 Cb 0.07 0.27 0.07 0.00 0.00 0.00 0.00 23.12 23.53 5azu s ALA 82 CO 0.77 -0.48 0.58 -3.38 0.00 0.00 0.00 175.76 173.25 5azu s HIS 83 N -2.01 -0.51 0.59 0.00 -3.43 -1.26 -0.97 115.29 107.70 5azu s HIS 83 Ca -0.07 0.36 0.09 0.00 -0.80 0.00 0.00 55.06 54.64 5azu s HIS 83 Cb -0.01 0.50 0.09 0.00 -1.43 0.00 0.00 32.58 31.74 5azu s HIS 83 CO 0.02 -0.80 0.78 0.25 -2.00 0.00 0.00 174.74 172.99 5azu n THR 84 N -0.21 0.00 -1.50 -5.38 -2.24 -0.50 -4.80 114.28 99.65 5azu n THR 84 Ca -0.17 -1.99 -0.29 0.00 -2.27 0.00 0.00 64.05 59.33 5azu n THR 84 Cb 0.64 -0.46 0.12 0.00 -2.10 0.00 0.00 70.33 68.53 5azu n THR 84 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 5azu s LYS 85 N -4.63 1.40 -0.14 -0.78 1.02 -1.26 -4.66 119.74 110.69 5azu s LYS 85 Ca 0.59 0.44 -0.28 0.00 0.02 0.00 0.00 55.97 56.74 5azu s LYS 85 Cb -0.05 -1.86 -0.01 0.00 -0.52 0.00 0.00 37.83 35.39 5azu s LYS 85 CO 0.37 -2.05 0.93 -1.17 -0.92 0.00 0.00 175.35 172.52 5azu s LEU 86 N -5.99 4.21 0.16 3.17 2.96 -1.26 -4.40 118.68 117.53 5azu s LEU 86 Ca 0.63 1.38 0.10 0.00 -0.22 0.00 0.00 54.13 56.02 5azu s LEU 86 Cb -0.15 -3.42 -0.04 0.00 0.50 0.00 0.00 46.19 43.08 5azu s LEU 86 CO 0.54 -0.43 -0.19 0.27 -1.32 0.00 0.00 176.35 175.21 5azu s ILE 87 N 2.09 2.67 0.12 6.68 -4.36 0.35 -4.88 121.20 123.87 5azu s ILE 87 Ca 0.44 -1.76 0.01 0.00 -0.26 0.00 0.00 60.65 59.09 5azu s ILE 87 Cb -0.17 -2.26 0.01 0.00 1.25 0.00 0.00 42.46 41.29 5azu s ILE 87 CO 0.15 -0.02 0.10 0.61 0.24 0.00 0.00 174.94 176.02 5azu n GLY 88 N 0.46 2.83 3.64 6.27 0.00 -1.26 -1.34 105.19 115.78 5azu n GLY 88 Ca -0.14 -2.19 -0.53 0.00 0.00 0.00 0.00 46.02 43.16 5azu n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 5azu n SER 89 N -2.10 2.04 0.00 1.61 2.88 -0.84 -2.18 113.62 115.03 5azu n SER 89 Ca 0.00 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 5azu n SER 89 Cb 0.14 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.40 5azu n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 5azu n GLY 90 N 3.17 0.60 3.98 0.46 0.00 -0.39 -5.00 105.19 108.01 5azu n GLY 90 Ca 0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 5azu n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 5azu s GLU 91 N -0.32 2.92 0.03 1.61 2.02 -0.93 -4.91 118.70 119.12 5azu s GLU 91 Ca 0.00 -0.89 -0.08 0.00 0.02 0.00 0.00 54.97 54.03 5azu s GLU 91 Cb 0.00 -2.67 -0.00 0.00 0.10 0.00 0.00 34.13 31.56 5azu s GLU 91 CO 0.00 -0.26 0.15 0.21 0.02 0.00 0.00 175.26 175.39 5azu s LYS 92 N -4.43 0.60 -0.00 1.61 2.47 -1.26 -1.75 119.74 116.97 5azu s LYS 92 Ca 0.51 -0.58 -0.28 0.00 -1.56 0.00 0.00 55.97 54.05 5azu s LYS 92 Cb -0.10 0.25 0.07 0.00 -1.46 0.00 0.00 37.83 36.58 5azu s LYS 92 CO 0.35 -0.16 0.64 0.34 0.16 0.00 0.00 175.35 176.68 5azu s ASP 93 N -1.87 -0.61 0.08 1.43 2.15 -0.35 -5.00 116.67 112.50 5azu s ASP 93 Ca -0.08 0.53 0.05 0.00 0.43 0.00 0.00 52.55 53.47 5azu s ASP 93 Cb -0.03 0.54 -0.03 0.00 -0.30 0.00 0.00 42.92 43.10 5azu s ASP 93 CO -0.02 -0.68 -0.14 -0.44 -0.17 0.00 0.00 175.17 173.72 5azu s SER 94 N -1.54 1.69 -0.03 -0.34 0.01 -1.26 -0.82 113.70 111.40 5azu s SER 94 Ca -0.08 -0.64 0.02 0.00 1.31 0.00 0.00 55.95 56.55 5azu s SER 94 Cb -0.00 -0.05 0.01 0.00 0.21 0.00 0.00 66.02 66.19 5azu s SER 94 CO 0.05 -0.09 -0.08 0.54 0.41 0.00 0.00 173.24 174.06 5azu s VAL 95 N -1.41 0.75 -0.10 3.43 0.11 -0.67 -4.94 120.40 117.56 5azu s VAL 95 Ca -0.01 -0.31 0.03 0.00 -2.93 0.00 0.00 61.98 58.76 5azu s VAL 95 Cb -0.09 -0.69 -0.01 0.00 -1.53 0.00 0.00 36.38 34.06 5azu s VAL 95 CO 0.02 0.25 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.97 5azu s THR 96 N 0.43 2.62 0.18 5.04 2.01 -1.26 -0.80 115.64 123.87 5azu s THR 96 Ca -0.07 -0.84 0.02 0.00 0.31 0.00 0.00 61.69 61.12 5azu s THR 96 Cb -0.11 -2.04 -0.05 0.00 0.01 0.00 0.00 72.50 70.31 5azu s THR 96 CO 0.01 0.55 -0.00 0.72 -0.69 0.00 0.00 174.62 175.21 5azu s PHE 97 N 0.09 1.29 -0.05 4.92 -0.71 0.09 -4.92 117.98 118.69 5azu s PHE 97 Ca -0.08 -1.00 -0.29 0.00 -1.04 0.00 0.00 56.93 54.52 5azu s PHE 97 Cb -0.15 -0.73 -0.02 0.00 -1.21 0.00 0.00 43.02 40.90 5azu s PHE 97 CO 0.05 -0.17 0.97 0.34 -1.34 0.00 0.00 175.22 175.07 5azu s ASP 98 N -3.20 7.29 0.49 1.98 -1.08 -1.26 -1.20 116.67 119.69 5azu s ASP 98 Ca 0.25 1.57 0.27 0.00 -0.52 0.00 0.00 52.55 54.12 5azu s ASP 98 Cb 0.06 -2.55 1.18 0.00 -1.46 0.00 0.00 42.92 40.15 5azu s ASP 98 CO 0.05 -0.32 1.93 0.58 0.52 0.00 0.00 175.17 177.93 5azu h VAL 99 N 4.91 0.45 0.00 1.11 2.07 -1.64 -2.70 116.25 120.45 5azu h VAL 99 Ca -0.37 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.32 5azu h VAL 99 Cb 1.19 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 5azu h VAL 99 CO 0.79 0.15 0.00 0.77 0.02 0.00 0.00 177.57 179.30 5azu h SER 100 N 0.00 0.00 0.55 0.57 4.64 -1.88 -0.36 113.55 117.07 5azu h SER 100 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 5azu h SER 100 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 5azu h SER 100 CO 0.02 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.27 5azu n LYS 101 N -2.52 0.23 -4.19 4.77 5.02 -1.02 -4.79 118.16 115.65 5azu n LYS 101 Ca -0.02 0.08 -0.27 0.00 -2.02 0.00 0.00 58.31 56.08 5azu n LYS 101 Cb 0.05 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.48 5azu n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 5azu s LEU 102 N -2.71 3.32 0.03 -0.35 1.43 -0.15 -5.12 118.68 115.14 5azu s LEU 102 Ca 0.19 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 5azu s LEU 102 Cb 0.15 -2.00 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 5azu s LEU 102 CO 0.38 0.11 -0.05 -1.59 0.23 0.00 0.00 176.35 175.42 5azu s LYS 103 N -2.79 0.42 0.31 1.70 -2.85 -1.26 -5.05 119.74 110.22 5azu s LYS 103 Ca 0.27 -0.68 -0.29 0.00 -1.00 0.00 0.00 55.97 54.26 5azu s LYS 103 Cb -0.10 -0.09 -0.10 0.00 -2.06 0.00 0.00 37.83 35.48 5azu s LYS 103 CO 0.18 -0.00 1.24 -2.00 0.10 0.00 0.00 175.35 174.87 5azu s GLU 104 N -1.52 4.45 0.00 1.78 2.12 -1.26 -2.93 118.70 121.34 5azu s GLU 104 Ca -0.13 2.07 0.00 0.00 0.36 0.00 0.00 54.97 57.27 5azu s GLU 104 Cb -0.10 -3.12 0.00 0.00 0.26 0.00 0.00 34.13 31.17 5azu s GLU 104 CO -0.00 -0.06 0.00 0.41 -0.54 0.00 0.00 175.26 175.07 5azu n GLY 105 N 1.01 3.30 3.87 -1.50 0.00 -1.26 -5.06 105.19 105.54 5azu n GLY 105 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 5azu n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 5azu s GLU 106 N -0.91 3.79 -0.28 1.61 2.12 -1.15 -5.06 118.70 118.82 5azu s GLU 106 Ca 0.00 0.21 -0.15 0.00 0.36 0.00 0.00 54.97 55.39 5azu s GLU 106 Cb 0.00 -2.95 -0.03 0.00 0.26 0.00 0.00 34.13 31.40 5azu s GLU 106 CO 0.00 0.53 0.39 -1.14 -0.54 0.00 0.00 175.26 174.50 5azu s GLN 107 N -2.03 3.96 0.20 4.30 0.74 -1.26 -4.78 119.66 120.79 5azu s GLN 107 Ca 0.35 0.01 0.08 0.00 0.05 0.00 0.00 55.36 55.85 5azu s GLN 107 Cb -0.14 -3.68 -0.04 0.00 1.10 0.00 0.00 33.01 30.25 5azu s GLN 107 CO 0.19 -0.32 0.01 0.71 -0.55 0.00 0.00 175.29 175.32 5azu s TYR 108 N 2.10 2.83 -0.01 1.67 2.02 -1.18 -1.22 117.35 123.56 5azu s TYR 108 Ca 0.15 -0.15 0.02 0.00 -0.37 0.00 0.00 57.07 56.73 5azu s TYR 108 Cb -0.16 -1.34 -0.00 0.00 -0.40 0.00 0.00 41.96 40.06 5azu s TYR 108 CO 0.10 0.54 -0.08 -1.64 -1.57 0.00 0.00 175.55 172.89 5azu s MET 109 N -3.13 0.79 0.15 -0.62 -1.94 -0.46 -1.74 119.30 112.35 5azu s MET 109 Ca 0.28 -0.29 0.06 0.00 -1.71 0.00 0.00 55.69 54.03 5azu s MET 109 Cb -0.09 -0.76 -0.04 0.00 2.01 0.00 0.00 34.83 35.96 5azu s MET 109 CO 0.19 0.15 0.06 -0.59 -0.01 0.00 0.00 175.02 174.81 5azu s PHE 110 N -0.01 3.01 0.13 -0.03 -0.12 0.24 -2.03 117.98 119.18 5azu s PHE 110 Ca 0.00 -0.06 -0.26 0.00 -0.05 0.00 0.00 56.93 56.57 5azu s PHE 110 Cb -0.06 -1.47 0.07 0.00 -0.63 0.00 0.00 43.02 40.93 5azu s PHE 110 CO -0.00 0.51 1.00 -0.59 -0.05 0.00 0.00 175.22 176.09 5azu s PHE 111 N -1.64 -0.12 -0.11 3.49 -0.71 -0.47 -1.41 117.98 117.02 5azu s PHE 111 Ca 0.29 -0.17 -0.04 0.00 -1.04 0.00 0.00 56.93 55.97 5azu s PHE 111 Cb -0.10 0.63 -0.04 0.00 -1.21 0.00 0.00 43.02 42.30 5azu s PHE 111 CO 0.21 -0.76 0.06 0.00 -1.34 0.00 0.00 175.22 173.38 5azu n THR 113 N 2.19 0.00 -1.69 0.00 -2.24 -1.26 -3.41 114.28 107.87 5azu n THR 113 Ca -0.19 -0.50 -0.43 0.00 -2.27 0.00 0.00 64.05 60.66 5azu n THR 113 Cb 0.54 1.39 -0.01 0.00 -2.10 0.00 0.00 70.33 70.15 5azu n THR 113 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 5azu n PHE 114 N 1.05 2.28 -1.67 4.78 -0.00 -1.26 -4.39 117.46 118.25 5azu n PHE 114 Ca 0.11 0.50 -0.51 0.00 -0.00 0.00 0.00 57.45 57.55 5azu n PHE 114 Cb 0.47 -2.44 -0.06 0.00 -0.00 0.00 0.00 39.48 37.46 5azu n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 5azu n PRO 115 N 1.11 1.70 0.00 -7.13 -0.02 -1.26 -1.86 135.00 127.55 5azu n PRO 115 Ca 0.07 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 5azu n PRO 115 Cb 0.35 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 5azu n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 5azu n GLY 116 N 3.83 3.04 0.21 -1.23 0.00 -1.26 -4.90 105.19 104.87 5azu n GLY 116 Ca 0.22 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.28 5azu n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 5azu h HIS 117 N 0.00 0.00 0.00 1.61 3.86 -1.65 -2.99 115.15 115.98 5azu h HIS 117 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 5azu h HIS 117 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 5azu h HIS 117 CO 0.00 0.27 0.00 0.66 0.86 0.00 0.00 177.93 179.72 5azu h SER 118 N 0.00 0.00 -0.84 2.45 4.64 -1.75 0.86 113.55 118.91 5azu h SER 118 Ca -0.00 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.39 5azu h SER 118 Cb 0.48 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.51 5azu h SER 118 CO 0.04 0.00 0.55 0.00 -0.87 0.00 0.00 176.83 176.54 5azu h ALA 119 N 2.11 1.62 0.00 5.18 0.00 -1.88 -3.28 119.26 123.00 5azu h ALA 119 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 5azu h ALA 119 Cb 0.17 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 5azu h ALA 119 CO 0.00 0.24 -1.37 1.28 0.00 0.00 0.00 179.25 179.41 5azu n LEU 120 N -4.49 0.00 -4.36 0.00 4.77 -0.75 -4.87 117.00 107.30 5azu n LEU 120 Ca 0.13 0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 55.66 5azu n LEU 120 Cb 0.24 0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.44 5azu n LEU 120 CO 0.33 0.12 0.81 -0.04 -1.33 0.00 0.00 177.39 177.27 5azu s MET 121 N -2.17 4.03 0.02 3.23 -1.94 0.22 -4.65 119.30 118.05 5azu s MET 121 Ca -0.03 -2.89 -0.26 0.00 -1.71 0.00 0.00 55.69 50.81 5azu s MET 121 Cb 0.02 -4.62 0.06 0.00 2.01 0.00 0.00 34.83 32.30 5azu s MET 121 CO 0.23 -1.36 0.59 -1.59 -0.01 0.00 0.00 175.02 172.88 5azu s LYS 122 N -0.33 1.07 0.20 2.03 -2.85 -1.26 -2.33 119.74 116.27 5azu s LYS 122 Ca 0.30 -0.06 -0.23 0.00 -1.00 0.00 0.00 55.97 54.98 5azu s LYS 122 Cb -0.09 0.49 0.05 0.00 -2.06 0.00 0.00 37.83 36.22 5azu s LYS 122 CO -0.07 -0.38 0.86 0.20 0.10 0.00 0.00 175.35 176.06 5azu s GLY 123 N -1.73 -0.17 0.12 0.59 0.00 -0.50 -4.68 107.32 100.95 5azu s GLY 123 Ca -0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 44.72 44.57 5azu s GLY 123 CO 0.02 -0.03 0.32 -0.51 0.00 0.00 0.00 173.10 172.90 5azu s THR 124 N -3.54 5.24 -0.02 0.90 -4.23 -0.84 -0.59 115.64 112.56 5azu s THR 124 Ca 0.12 -0.15 0.04 0.00 -1.18 0.00 0.00 61.69 60.51 5azu s THR 124 Cb -0.03 -3.64 -0.01 0.00 1.34 0.00 0.00 72.50 70.16 5azu s THR 124 CO 0.04 0.05 -0.13 -0.22 -0.54 0.00 0.00 174.62 173.82 5azu s LEU 125 N -2.68 1.94 0.01 4.79 0.20 -0.71 -1.27 118.68 120.96 5azu s LEU 125 Ca 0.39 -0.25 0.00 0.00 0.69 0.00 0.00 54.13 54.96 5azu s LEU 125 Cb -0.12 -0.70 -0.01 0.00 -0.43 0.00 0.00 46.19 44.93 5azu s LEU 125 CO 0.26 0.14 -0.02 -0.89 -0.29 0.00 0.00 176.35 175.55 5azu s THR 126 N -0.12 0.08 -0.31 3.68 2.01 -0.33 -3.08 115.64 117.57 5azu s THR 126 Ca 0.02 -0.43 -0.20 0.00 0.31 0.00 0.00 61.69 61.38 5azu s THR 126 Cb -0.07 -0.15 -0.01 0.00 0.01 0.00 0.00 72.50 72.28 5azu s THR 126 CO 0.00 -0.22 0.61 -0.22 -0.69 0.00 0.00 174.62 174.10 5azu s LEU 127 N -0.68 4.16 0.00 4.42 1.98 -1.26 -0.45 118.68 126.85 5azu s LEU 127 Ca -0.07 0.38 0.00 0.00 -2.89 0.00 0.00 54.13 51.55 5azu s LEU 127 Cb -0.05 -2.78 0.00 0.00 0.66 0.00 0.00 46.19 44.03 5azu s LEU 127 CO -0.00 -0.47 0.20 0.29 -1.89 0.00 0.00 176.35 174.47