#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4azu n GLU 2 N 0.00 0.00 -1.40 0.00 4.07 -1.26 -4.01 120.64 118.04 4azu n GLU 2 Ca 0.00 0.00 -0.21 0.00 -0.06 0.00 0.00 57.16 56.89 4azu n GLU 2 Cb 0.00 0.00 0.10 0.00 -0.06 0.00 0.00 31.44 31.48 4azu n GLU 2 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 4azu s SER 4 N -2.63 -0.11 -0.06 0.00 1.04 -1.26 -1.00 113.70 109.68 4azu s SER 4 Ca 0.53 -0.53 -0.11 0.00 0.48 0.00 0.00 55.95 56.32 4azu s SER 4 Cb 0.44 0.46 0.02 0.00 0.10 0.00 0.00 66.02 67.05 4azu s SER 4 CO 0.02 -0.88 0.28 0.54 0.98 0.00 0.00 173.24 174.18 4azu s VAL 5 N -3.86 0.03 -0.22 5.02 0.11 -0.46 -4.87 120.40 116.15 4azu s VAL 5 Ca 0.07 -0.25 -0.08 0.00 -2.93 0.00 0.00 61.98 58.79 4azu s VAL 5 Cb 0.02 -0.48 -0.04 0.00 -1.53 0.00 0.00 36.38 34.35 4azu s VAL 5 CO -0.08 -0.14 0.10 -1.81 -3.33 0.00 0.00 175.10 169.84 4azu s ASP 6 N -0.55 5.67 0.06 3.54 1.01 -1.26 -0.80 116.67 124.34 4azu s ASP 6 Ca -0.07 0.02 0.08 0.00 0.71 0.00 0.00 52.55 53.29 4azu s ASP 6 Cb -0.04 -2.00 -0.03 0.00 1.01 0.00 0.00 42.92 41.86 4azu s ASP 6 CO 0.02 0.09 -0.20 -0.63 0.21 0.00 0.00 175.17 174.65 4azu s ILE 7 N 0.91 2.66 -0.02 0.77 -1.09 0.37 -4.95 121.20 119.86 4azu s ILE 7 Ca 0.05 -1.32 0.05 0.00 -2.23 0.00 0.00 60.65 57.21 4azu s ILE 7 Cb -0.14 -2.13 -0.01 0.00 -1.58 0.00 0.00 42.46 38.60 4azu s ILE 7 CO 0.03 0.28 -0.18 -1.10 -1.23 0.00 0.00 174.94 172.73 4azu s GLN 8 N -1.59 1.55 -0.13 2.79 -0.21 -1.26 -1.38 119.66 119.43 4azu s GLN 8 Ca 0.15 -0.65 0.03 0.00 0.02 0.00 0.00 55.36 54.90 4azu s GLN 8 Cb -0.10 -1.47 0.01 0.00 1.00 0.00 0.00 33.01 32.45 4azu s GLN 8 CO 0.06 0.38 -0.21 0.20 -2.12 0.00 0.00 175.29 173.59 4azu s GLY 9 N -0.36 1.29 0.25 3.09 0.00 -0.60 -2.21 107.32 108.78 4azu s GLY 9 Ca 0.05 -1.01 0.02 0.00 0.00 0.00 0.00 44.72 43.79 4azu s GLY 9 CO -0.00 -0.02 0.14 1.16 0.00 0.00 0.00 173.10 174.38 4azu n ASN 10 N 4.02 2.04 0.00 1.64 0.23 -0.93 -3.66 115.26 118.59 4azu n ASN 10 Ca -0.20 -1.93 0.12 0.00 -0.53 0.00 0.00 54.58 52.05 4azu n ASN 10 Cb 0.52 0.03 0.67 0.00 -2.08 0.00 0.00 39.78 38.92 4azu n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 4azu n ASP 11 N -1.72 0.00 -1.24 0.53 8.00 -1.24 -2.54 116.55 118.33 4azu n ASP 11 Ca -0.03 -0.45 0.11 0.00 0.71 0.00 0.00 54.79 55.13 4azu n ASP 11 Cb 0.29 -0.13 0.29 0.00 -0.02 0.00 0.00 41.12 41.56 4azu n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 4azu n GLN 12 N -1.13 2.58 -3.19 -1.24 1.13 -1.26 -4.94 117.38 109.33 4azu n GLN 12 Ca 0.15 -2.43 -0.15 0.00 -1.94 0.00 0.00 57.00 52.63 4azu n GLN 12 Cb 0.13 -1.54 0.06 0.00 0.11 0.00 0.00 30.24 29.01 4azu n GLN 12 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 4azu n MET 13 N 1.52 -5.38 -4.09 -1.09 0.00 -1.05 -5.04 117.12 101.99 4azu n MET 13 Ca 0.22 0.61 -0.14 0.00 -0.00 0.00 0.00 57.70 58.39 4azu n MET 13 Cb 0.59 -4.95 -0.11 0.00 0.00 0.00 0.00 33.22 28.75 4azu n MET 13 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 4azu s GLN 14 N -5.55 0.59 0.27 2.12 -0.21 -1.26 -4.35 119.66 111.27 4azu s GLN 14 Ca 0.25 -0.82 -0.03 0.00 0.02 0.00 0.00 55.36 54.78 4azu s GLN 14 Cb -0.11 -0.38 -0.05 0.00 1.00 0.00 0.00 33.01 33.48 4azu s GLN 14 CO 0.53 0.07 0.50 -0.06 -2.12 0.00 0.00 175.29 174.21 4azu s PHE 15 N -1.48 3.48 -2.03 0.91 0.08 -1.26 -2.19 117.98 115.49 4azu s PHE 15 Ca -0.08 0.51 0.32 0.00 0.12 0.00 0.00 56.93 57.80 4azu s PHE 15 Cb -0.09 -2.00 1.80 0.00 -0.57 0.00 0.00 43.02 42.16 4azu s PHE 15 CO 0.00 0.23 2.17 0.27 -0.10 0.00 0.00 175.22 177.79 4azu n ASN 16 N -0.98 0.16 -3.70 1.36 6.94 -0.94 -4.82 115.26 113.28 4azu n ASN 16 Ca -0.03 -1.02 -0.11 0.00 -0.02 0.00 0.00 54.58 53.40 4azu n ASN 16 Cb 0.54 -0.01 -0.06 0.00 -2.36 0.00 0.00 39.78 37.89 4azu n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 4azu s THR 17 N -2.02 0.08 -0.03 5.53 -1.32 -1.26 -5.01 115.64 111.60 4azu s THR 17 Ca 0.46 -0.66 0.05 0.00 -1.21 0.00 0.00 61.69 60.33 4azu s THR 17 Cb 0.22 -1.10 0.07 0.00 -1.51 0.00 0.00 72.50 70.19 4azu s THR 17 CO 0.37 -0.36 0.94 0.59 -2.21 0.00 0.00 174.62 173.94 4azu n ASN 18 N 0.14 1.44 -3.68 8.08 4.13 -1.26 -4.83 115.26 119.28 4azu n ASN 18 Ca -0.17 -2.07 -0.10 0.00 1.68 0.00 0.00 54.58 53.92 4azu n ASN 18 Cb 0.62 -0.13 -0.09 0.00 -1.54 0.00 0.00 39.78 38.63 4azu n ASN 18 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 4azu s ALA 19 N -1.15 -1.33 -0.05 5.41 0.00 -1.26 -1.63 121.76 121.75 4azu s ALA 19 Ca 0.08 1.78 0.03 0.00 0.00 0.00 0.00 51.96 53.85 4azu s ALA 19 Cb 0.07 -1.06 0.01 0.00 0.00 0.00 0.00 23.12 22.13 4azu s ALA 19 CO 0.01 -0.30 -0.13 0.42 0.00 0.00 0.00 175.76 175.76 4azu s ILE 20 N 1.27 1.18 -0.15 0.00 1.01 -0.41 -4.97 121.20 119.14 4azu s ILE 20 Ca -0.08 -0.55 -0.00 0.00 0.00 0.00 0.00 60.65 60.02 4azu s ILE 20 Cb -0.07 -1.05 -0.01 0.00 0.01 0.00 0.00 42.46 41.35 4azu s ILE 20 CO -0.12 0.36 -0.13 0.42 0.00 0.00 0.00 174.94 175.46 4azu s THR 21 N 0.35 2.95 -0.23 2.92 -4.23 -1.26 -1.68 115.64 114.46 4azu s THR 21 Ca -0.09 -0.68 -0.12 0.00 -1.18 0.00 0.00 61.69 59.62 4azu s THR 21 Cb -0.13 -2.25 -0.05 0.00 1.34 0.00 0.00 72.50 71.41 4azu s THR 21 CO 0.03 0.51 0.21 -0.69 -0.54 0.00 0.00 174.62 174.14 4azu s VAL 22 N 0.62 5.32 0.06 2.29 1.01 0.71 -4.94 120.40 125.48 4azu s VAL 22 Ca -0.07 0.30 -0.31 0.00 0.00 0.00 0.00 61.98 61.90 4azu s VAL 22 Cb -0.16 -3.55 -0.06 0.00 0.00 0.00 0.00 36.38 32.61 4azu s VAL 22 CO 0.03 0.32 1.26 -0.62 0.00 0.00 0.00 175.10 176.09 4azu s ASP 23 N 1.07 7.00 0.46 3.32 -1.08 -1.25 -0.76 116.67 125.43 4azu s ASP 23 Ca 0.10 2.09 0.29 0.00 -0.52 0.00 0.00 52.55 54.51 4azu s ASP 23 Cb -0.14 -2.58 1.36 0.00 -1.46 0.00 0.00 42.92 40.11 4azu s ASP 23 CO 0.05 -0.54 1.74 0.50 0.52 0.00 0.00 175.17 177.44 4azu h LYS 24 N 6.92 0.17 0.00 4.34 3.64 -1.70 -0.58 116.57 129.36 4azu h LYS 24 Ca -0.41 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 4azu h LYS 24 Cb 1.21 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 4azu h LYS 24 CO 0.84 0.11 0.00 -1.13 -2.27 0.00 0.00 179.45 177.00 4azu n SER 25 N -4.45 0.00 -4.72 4.20 3.41 -1.26 -4.81 113.62 105.99 4azu n SER 25 Ca 0.29 0.16 -0.42 0.00 -0.26 0.00 0.00 58.87 58.64 4azu n SER 25 Cb 1.19 -0.36 -0.03 0.00 -0.26 0.00 0.00 64.21 64.75 4azu n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 4azu h LYS 27 N 6.42 0.29 -4.77 0.00 6.56 -1.89 -3.42 116.57 119.77 4azu h LYS 27 Ca -0.42 -0.43 -0.29 0.00 -1.06 0.00 0.00 60.65 58.44 4azu h LYS 27 Cb 1.21 0.15 -0.15 0.00 -0.57 0.00 0.00 32.23 32.88 4azu h LYS 27 CO 0.79 1.17 -0.64 1.14 -2.06 0.00 0.00 179.45 179.85 4azu s GLN 28 N -2.85 1.20 -0.03 3.15 -2.07 -1.26 -1.52 119.66 116.28 4azu s GLN 28 Ca -0.04 -1.61 -0.02 0.00 -1.82 0.00 0.00 55.36 51.87 4azu s GLN 28 Cb 0.08 -0.16 0.01 0.00 -1.09 0.00 0.00 33.01 31.84 4azu s GLN 28 CO 0.87 -0.22 0.08 0.12 -1.32 0.00 0.00 175.29 174.82 4azu s PHE 29 N -3.78 -0.08 -0.06 9.60 5.36 0.32 -4.80 117.98 124.55 4azu s PHE 29 Ca 0.30 0.21 0.05 0.00 -0.96 0.00 0.00 56.93 56.52 4azu s PHE 29 Cb 0.07 0.01 -0.02 0.00 -0.34 0.00 0.00 43.02 42.74 4azu s PHE 29 CO 0.08 -0.05 -0.20 0.99 -1.46 0.00 0.00 175.22 174.57 4azu s THR 30 N 0.16 2.49 -0.20 0.12 2.01 -0.17 -0.83 115.64 119.23 4azu s THR 30 Ca -0.01 -0.91 -0.02 0.00 0.31 0.00 0.00 61.69 61.05 4azu s THR 30 Cb -0.02 -1.95 -0.00 0.00 0.01 0.00 0.00 72.50 70.54 4azu s THR 30 CO -0.00 0.57 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.71 4azu s VAL 31 N -0.30 3.03 -0.34 3.82 1.01 -0.30 -1.35 120.40 125.96 4azu s VAL 31 Ca 0.01 -0.62 -0.12 0.00 0.00 0.00 0.00 61.98 61.26 4azu s VAL 31 Cb -0.13 -2.34 -0.00 0.00 0.00 0.00 0.00 36.38 33.90 4azu s VAL 31 CO 0.02 0.46 0.21 0.20 0.00 0.00 0.00 175.10 176.00 4azu s ASN 32 N 1.27 5.85 -0.14 3.32 0.01 0.02 -1.97 114.94 123.30 4azu s ASN 32 Ca 0.03 -0.57 -0.04 0.00 -0.71 0.00 0.00 52.86 51.57 4azu s ASN 32 Cb -0.14 -2.08 -0.03 0.00 0.41 0.00 0.00 41.25 39.41 4azu s ASN 32 CO -0.04 -0.26 0.01 -0.22 -1.51 0.00 0.00 177.10 175.08 4azu s LEU 33 N 1.66 3.54 0.25 0.60 2.96 0.10 -0.48 118.68 127.31 4azu s LEU 33 Ca 0.05 0.03 0.05 0.00 -0.22 0.00 0.00 54.13 54.04 4azu s LEU 33 Cb -0.18 -1.85 -0.05 0.00 0.50 0.00 0.00 46.19 44.61 4azu s LEU 33 CO 0.09 0.24 -0.03 -0.94 -1.32 0.00 0.00 176.35 174.38 4azu s SER 34 N -0.05 2.30 -0.45 3.68 1.04 -0.48 -1.53 113.70 118.21 4azu s SER 34 Ca 0.04 -1.20 0.02 0.00 0.48 0.00 0.00 55.95 55.29 4azu s SER 34 Cb -0.13 -0.08 0.13 0.00 0.10 0.00 0.00 66.02 66.04 4azu s SER 34 CO 0.02 -0.42 0.23 -2.28 0.98 0.00 0.00 173.24 171.76 4azu s HIS 35 N -3.21 2.32 0.61 5.02 2.46 -0.95 -1.56 115.29 119.97 4azu s HIS 35 Ca 0.29 -2.59 -0.18 0.00 0.47 0.00 0.00 55.06 53.05 4azu s HIS 35 Cb 0.05 -2.14 -0.05 0.00 -0.13 0.00 0.00 32.58 30.30 4azu s HIS 35 CO 0.10 -0.78 0.86 -0.35 -2.47 0.00 0.00 174.74 172.09 4azu n PRO 36 N 3.55 0.75 0.00 2.88 -0.04 -1.24 -1.36 135.00 139.54 4azu n PRO 36 Ca 0.07 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.83 4azu n PRO 36 Cb 0.35 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 4azu n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 4azu n GLY 37 N 1.40 0.18 0.00 0.55 0.00 -1.26 -3.67 105.19 102.39 4azu n GLY 37 Ca 0.13 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.90 4azu n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 4azu n ASN 38 N 0.00 0.03 -4.79 1.61 3.02 -1.26 -4.42 115.26 109.45 4azu n ASN 38 Ca 0.00 -0.04 -0.36 0.00 -0.03 0.00 0.00 54.58 54.15 4azu n ASN 38 Cb 0.00 0.09 -0.06 0.00 -0.61 0.00 0.00 39.78 39.20 4azu n ASN 38 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 4azu s LEU 39 N -0.19 4.19 0.75 3.41 1.43 -1.26 -4.87 118.68 122.14 4azu s LEU 39 Ca 0.00 1.81 -0.11 0.00 -1.03 0.00 0.00 54.13 54.80 4azu s LEU 39 Cb 0.00 -4.20 0.04 0.00 0.03 0.00 0.00 46.19 42.06 4azu s LEU 39 CO 0.00 -0.21 1.08 -2.16 0.23 0.00 0.00 176.35 175.29 4azu s PRO 40 N -2.46 2.50 0.34 1.29 0.04 -1.26 -2.53 135.00 132.92 4azu s PRO 40 Ca 0.55 0.85 0.04 0.00 0.04 0.00 0.00 61.00 62.48 4azu s PRO 40 Cb -0.16 -1.95 0.66 0.00 0.04 0.00 0.00 34.50 33.10 4azu s PRO 40 CO 0.21 -1.38 1.95 -0.22 0.04 0.00 0.00 177.00 177.60 4azu h LYS 41 N -0.92 0.83 0.00 4.56 3.64 -1.86 -0.65 116.57 122.16 4azu h LYS 41 Ca -0.45 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 4azu h LYS 41 Cb 1.24 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 4azu h LYS 41 CO 0.57 0.55 0.00 0.27 -2.27 0.00 0.00 179.45 178.57 4azu n ASN 42 N -4.47 0.69 -0.05 4.20 6.94 -1.26 -0.25 115.26 121.06 4azu n ASN 42 Ca 0.11 0.69 -0.06 0.00 -0.02 0.00 0.00 54.58 55.30 4azu n ASN 42 Cb 0.19 -0.83 -0.05 0.00 -2.36 0.00 0.00 39.78 36.73 4azu n ASN 42 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 4azu n VAL 43 N -2.29 0.58 -2.75 3.53 0.31 -0.95 -4.83 118.33 111.93 4azu n VAL 43 Ca 0.02 -0.27 -0.04 0.00 -0.01 0.00 0.00 64.34 64.04 4azu n VAL 43 Cb 0.21 -0.84 0.05 0.00 -0.91 0.00 0.00 33.84 32.35 4azu n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 4azu n MET 44 N -2.64 1.43 -2.25 5.55 0.00 -0.29 -5.04 117.12 113.88 4azu n MET 44 Ca -0.17 -3.19 -0.38 0.00 -0.00 0.00 0.00 57.70 53.97 4azu n MET 44 Cb 0.72 -1.26 -0.01 0.00 0.00 0.00 0.00 33.22 32.66 4azu n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 4azu s GLY 45 N -3.24 2.84 0.05 -5.12 0.00 0.65 -4.74 107.32 97.77 4azu s GLY 45 Ca 0.26 0.98 0.04 0.00 0.00 0.00 0.00 44.72 46.00 4azu s GLY 45 CO -0.01 1.48 -0.12 0.30 0.00 0.00 0.00 173.10 174.75 4azu s HIS 46 N -1.45 1.03 0.17 1.90 3.76 -0.27 -4.68 115.29 115.75 4azu s HIS 46 Ca 0.60 -0.42 -0.01 0.00 -0.15 0.00 0.00 55.06 55.07 4azu s HIS 46 Cb -0.31 -0.60 -0.04 0.00 1.11 0.00 0.00 32.58 32.74 4azu s HIS 46 CO 0.38 0.01 0.08 0.54 -0.85 0.00 0.00 174.74 174.90 4azu s ASN 47 N -1.47 0.38 -0.20 1.40 6.03 -1.26 -0.39 114.94 119.44 4azu s ASN 47 Ca -0.03 -1.28 -0.00 0.00 -1.03 0.00 0.00 52.86 50.51 4azu s ASN 47 Cb -0.09 0.30 0.02 0.00 -3.03 0.00 0.00 41.25 38.45 4azu s ASN 47 CO 0.01 -0.76 -0.14 0.86 -2.03 0.00 0.00 177.10 175.05 4azu s TRP 48 N -4.04 2.88 -0.09 1.54 -0.00 -1.26 -3.99 118.94 113.99 4azu s TRP 48 Ca 0.30 -1.49 0.03 0.00 -0.00 0.00 0.00 56.10 54.95 4azu s TRP 48 Cb 0.07 -1.98 0.01 0.00 -0.00 0.00 0.00 33.47 31.56 4azu s TRP 48 CO 0.06 -0.74 -0.19 0.08 -0.00 0.00 0.00 176.95 176.17 4azu s VAL 49 N 1.33 1.64 -0.12 5.86 1.01 0.28 -1.45 120.40 128.97 4azu s VAL 49 Ca 0.04 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 4azu s VAL 49 Cb -0.14 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 4azu s VAL 49 CO -0.09 0.47 -0.04 -0.22 0.00 0.00 0.00 175.10 175.21 4azu s LEU 50 N 0.52 3.27 0.00 3.92 2.96 -0.54 -1.45 118.68 127.36 4azu s LEU 50 Ca -0.16 -0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 53.68 4azu s LEU 50 Cb -0.17 -1.76 0.00 0.00 0.50 0.00 0.00 46.19 44.77 4azu s LEU 50 CO 0.06 0.26 0.09 -1.54 -1.32 0.00 0.00 176.35 173.90 4azu n SER 51 N 2.93 -0.25 -4.89 3.68 3.41 -0.96 -1.52 113.62 116.03 4azu n SER 51 Ca -0.18 -1.31 -0.29 0.00 -0.26 0.00 0.00 58.87 56.83 4azu n SER 51 Cb 0.53 0.45 0.02 0.00 -0.26 0.00 0.00 64.21 64.95 4azu n SER 51 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 4azu s THR 52 N -2.55 4.37 0.27 6.66 -4.23 -1.26 -1.70 115.64 117.19 4azu s THR 52 Ca 0.04 0.52 -0.03 0.00 -1.18 0.00 0.00 61.69 61.05 4azu s THR 52 Cb -0.00 -3.74 0.27 0.00 1.34 0.00 0.00 72.50 70.37 4azu s THR 52 CO 0.03 -0.88 1.89 0.00 -0.54 0.00 0.00 174.62 175.12 4azu h ALA 53 N -0.24 1.39 0.00 3.99 0.00 -1.55 -1.57 119.26 121.29 4azu h ALA 53 Ca -0.45 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 4azu h ALA 53 Cb 1.21 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 4azu h ALA 53 CO 0.62 0.46 -0.15 0.00 0.00 0.00 0.00 179.25 180.19 4azu h ALA 54 N 1.45 1.53 0.00 0.00 0.00 -1.93 -2.83 119.26 117.48 4azu h ALA 54 Ca 0.43 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.20 4azu h ALA 54 Cb 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 4azu h ALA 54 CO -0.16 0.18 -1.16 -0.25 0.00 0.00 0.00 179.25 177.86 4azu n ASP 55 N -4.03 0.61 -0.25 0.00 8.00 -0.65 -4.54 116.55 115.69 4azu n ASP 55 Ca -0.02 0.09 0.02 0.00 0.71 0.00 0.00 54.79 55.58 4azu n ASP 55 Cb 0.23 0.81 0.09 0.00 -0.02 0.00 0.00 41.12 42.24 4azu n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 4azu h MET 56 N 0.00 0.01 -0.78 -1.24 4.05 -1.14 -0.63 114.93 115.20 4azu h MET 56 Ca 0.00 -0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.39 4azu h MET 56 Cb 0.90 -0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.66 4azu h MET 56 CO 0.00 0.01 0.36 0.37 0.23 0.00 0.00 176.91 177.88 4azu h GLN 57 N 0.01 1.13 -0.61 0.39 5.75 -1.80 0.13 115.11 120.11 4azu h GLN 57 Ca 0.36 -0.18 -0.05 0.00 -0.15 0.00 0.00 58.65 58.63 4azu h GLN 57 Cb 0.56 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.88 4azu h GLN 57 CO -0.73 0.89 0.17 0.78 -2.65 0.00 0.00 178.83 177.29 4azu h GLY 58 N 1.10 1.03 0.85 2.39 0.00 -1.46 -0.48 103.07 106.51 4azu h GLY 58 Ca 0.27 -0.63 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 4azu h GLY 58 CO -0.03 0.59 0.02 -2.08 0.00 0.00 0.00 176.54 175.04 4azu h VAL 59 N 0.88 1.24 -0.52 4.60 2.07 -0.63 -0.57 116.25 123.33 4azu h VAL 59 Ca 0.19 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 4azu h VAL 59 Cb 0.32 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 4azu h VAL 59 CO -0.00 0.26 0.22 0.58 0.02 0.00 0.00 177.57 178.65 4azu h VAL 60 N 0.20 1.21 -0.40 2.57 2.07 -0.85 0.57 116.25 121.62 4azu h VAL 60 Ca 0.07 -0.63 -0.06 0.00 0.82 0.00 0.00 66.70 66.90 4azu h VAL 60 Cb 0.36 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 4azu h VAL 60 CO 0.01 0.24 -0.00 0.74 0.02 0.00 0.00 177.57 178.57 4azu h THR 61 N 0.69 1.26 0.00 2.57 2.02 -0.91 -0.37 112.91 118.17 4azu h THR 61 Ca 0.17 -1.02 -0.13 0.00 0.77 0.00 0.00 66.41 66.21 4azu h THR 61 Cb 0.17 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 4azu h THR 61 CO -0.02 0.34 -0.63 0.44 0.37 0.00 0.00 175.52 176.02 4azu h ASP 62 N 0.53 0.00 0.47 4.18 3.32 -1.02 -2.98 116.42 120.92 4azu h ASP 62 Ca 0.11 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 4azu h ASP 62 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 4azu h ASP 62 CO 0.02 0.63 -0.22 1.23 -1.72 0.00 0.00 179.24 179.18 4azu h GLY 63 N 2.28 -0.65 0.36 2.75 0.00 -0.61 -1.64 103.07 105.56 4azu h GLY 63 Ca -0.01 0.24 0.08 0.00 0.00 0.00 0.00 47.33 47.65 4azu h GLY 63 CO 0.08 -0.24 0.06 1.98 0.00 0.00 0.00 176.54 178.42 4azu h MET 64 N -0.64 0.17 -0.75 4.80 1.85 -1.06 -1.32 114.93 117.98 4azu h MET 64 Ca -0.06 -0.01 0.01 0.00 -0.61 0.00 0.00 59.70 59.03 4azu h MET 64 Cb 0.49 -0.04 -0.04 0.00 0.43 0.00 0.00 31.60 32.44 4azu h MET 64 CO 0.11 0.12 0.50 0.00 -0.40 0.00 0.00 176.91 177.23 4azu h ALA 65 N 1.37 1.48 0.00 0.39 0.00 -1.40 -2.92 119.26 118.18 4azu h ALA 65 Ca 0.22 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 4azu h ALA 65 Cb 0.31 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 4azu h ALA 65 CO -0.32 0.47 -0.23 0.77 0.00 0.00 0.00 179.25 179.94 4azu h SER 66 N 1.00 0.00 -4.47 0.00 0.02 -0.23 -3.48 113.55 106.38 4azu h SER 66 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 4azu h SER 66 Cb -0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.45 4azu h SER 66 CO -0.07 0.23 0.00 0.61 -1.14 0.00 0.00 176.83 176.46 4azu n GLY 67 N -0.79 -0.41 0.31 -3.77 0.00 -1.10 -4.28 105.19 95.14 4azu n GLY 67 Ca -0.02 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.25 4azu n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 4azu h LEU 68 N 0.00 0.67 -1.66 0.99 5.85 -1.91 0.57 115.31 119.82 4azu h LEU 68 Ca 0.00 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 4azu h LEU 68 Cb 0.00 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 40.86 4azu h LEU 68 CO 0.00 0.59 -0.12 -0.78 -0.34 0.00 0.00 178.44 177.78 4azu h ASP 69 N 0.74 0.00 -0.54 1.25 3.58 -2.02 -1.74 116.42 117.70 4azu h ASP 69 Ca 0.18 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.63 4azu h ASP 69 Cb 0.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.16 4azu h ASP 69 CO -0.02 0.12 0.00 0.29 -2.88 0.00 0.00 179.24 176.75 4azu n LYS 70 N -3.42 4.52 -3.17 0.28 4.76 -0.68 -4.92 118.16 115.54 4azu n LYS 70 Ca -0.01 -3.10 -0.22 0.00 -2.87 0.00 0.00 58.31 52.11 4azu n LYS 70 Cb 0.30 -2.17 0.01 0.00 -1.84 0.00 0.00 35.03 31.33 4azu n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 4azu n ASP 71 N 0.52 -4.77 -4.17 4.39 8.00 -0.65 -1.72 116.55 118.15 4azu n ASP 71 Ca 0.27 -0.32 -0.34 0.00 0.71 0.00 0.00 54.79 55.11 4azu n ASP 71 Cb 1.13 -3.90 -0.03 0.00 -0.02 0.00 0.00 41.12 38.30 4azu n ASP 71 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 4azu n TYR 72 N -4.16 -1.71 -4.20 1.24 4.01 0.11 -4.72 117.16 107.72 4azu n TYR 72 Ca -0.06 0.78 -0.18 0.00 -0.16 0.00 0.00 57.90 58.28 4azu n TYR 72 Cb 0.58 -3.12 -0.15 0.00 -0.31 0.00 0.00 39.34 36.34 4azu n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 4azu s LEU 73 N -7.21 1.75 0.10 7.72 1.43 -0.70 -4.20 118.68 117.56 4azu s LEU 73 Ca 0.56 -0.12 -0.31 0.00 -1.03 0.00 0.00 54.13 53.24 4azu s LEU 73 Cb -0.31 -0.36 -0.08 0.00 0.03 0.00 0.00 46.19 45.46 4azu s LEU 73 CO 0.92 0.03 1.55 -0.75 0.23 0.00 0.00 176.35 178.33 4azu s LYS 74 N 0.24 4.24 0.16 1.70 2.20 -1.26 -4.85 119.74 122.17 4azu s LYS 74 Ca -0.03 2.25 -0.34 0.00 -0.36 0.00 0.00 55.97 57.49 4azu s LYS 74 Cb -0.07 -3.40 -0.14 0.00 -1.51 0.00 0.00 37.83 32.70 4azu s LYS 74 CO -0.00 -0.62 1.51 -2.30 -0.36 0.00 0.00 175.35 173.58 4azu n PRO 75 N 4.80 1.95 -3.92 4.03 -0.02 -1.26 -2.47 135.00 138.11 4azu n PRO 75 Ca 0.14 0.70 -0.31 0.00 -2.02 0.00 0.00 63.50 62.01 4azu n PRO 75 Cb 0.41 -2.43 0.01 0.00 -0.02 0.00 0.00 33.50 31.46 4azu n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 4azu n ASP 76 N 3.12 -4.40 -4.64 2.55 8.00 -1.26 -4.89 116.55 115.04 4azu n ASP 76 Ca 0.17 -0.79 -0.43 0.00 0.71 0.00 0.00 54.79 54.45 4azu n ASP 76 Cb 0.27 -3.54 -0.03 0.00 -0.02 0.00 0.00 41.12 37.81 4azu n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 4azu s ASP 77 N -3.22 6.36 0.33 -2.24 -1.08 -1.03 -4.89 116.67 110.90 4azu s ASP 77 Ca 0.66 1.85 0.26 0.00 -0.52 0.00 0.00 52.55 54.80 4azu s ASP 77 Cb -0.34 -2.53 1.07 0.00 -1.46 0.00 0.00 42.92 39.66 4azu s ASP 77 CO 0.81 -1.24 1.78 0.77 0.52 0.00 0.00 175.17 177.82 4azu h SER 78 N 10.86 0.00 1.25 -0.34 4.64 -1.92 -2.33 113.55 125.71 4azu h SER 78 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 4azu h SER 78 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 4azu h SER 78 CO 0.98 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.48 4azu n ARG 79 N -2.46 0.25 -2.92 4.77 1.74 -1.26 -4.70 116.66 112.08 4azu n ARG 79 Ca 0.02 0.29 -0.43 0.00 -0.77 0.00 0.00 57.85 56.97 4azu n ARG 79 Cb 0.26 -1.85 -0.05 0.00 -1.02 0.00 0.00 32.46 29.80 4azu n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 4azu s VAL 80 N -3.18 4.65 0.00 1.55 1.01 -0.88 -4.50 120.40 119.05 4azu s VAL 80 Ca 0.08 0.78 -0.22 0.00 0.00 0.00 0.00 61.98 62.63 4azu s VAL 80 Cb 0.11 -4.29 -0.19 0.00 0.00 0.00 0.00 36.38 32.01 4azu s VAL 80 CO 0.53 -0.58 1.21 0.40 0.00 0.00 0.00 175.10 176.66 4azu h ILE 81 N 5.87 1.42 -2.43 2.22 2.04 -1.55 -3.48 117.51 121.61 4azu h ILE 81 Ca -0.24 -1.60 -0.08 0.00 1.00 0.00 0.00 64.86 63.93 4azu h ILE 81 Cb 1.09 2.27 -0.20 0.00 -0.74 0.00 0.00 36.82 39.24 4azu h ILE 81 CO 0.95 0.45 -0.01 0.00 0.00 0.00 0.00 178.15 179.55 4azu s ALA 82 N -3.78 -1.36 0.06 1.87 0.00 -1.25 -5.03 121.76 112.27 4azu s ALA 82 Ca -0.15 0.96 -0.19 0.00 0.00 0.00 0.00 51.96 52.58 4azu s ALA 82 Cb 0.03 -0.04 0.04 0.00 0.00 0.00 0.00 23.12 23.15 4azu s ALA 82 CO 0.75 -0.32 0.44 -3.38 0.00 0.00 0.00 175.76 173.25 4azu s HIS 83 N -1.13 -0.30 0.58 0.00 -3.43 -1.26 -1.47 115.29 108.28 4azu s HIS 83 Ca -0.11 0.25 0.03 0.00 -0.80 0.00 0.00 55.06 54.42 4azu s HIS 83 Cb -0.02 0.26 0.11 0.00 -1.43 0.00 0.00 32.58 31.50 4azu s HIS 83 CO 0.07 -0.61 0.80 0.25 -2.00 0.00 0.00 174.74 173.26 4azu n THR 84 N 0.38 0.00 -1.70 -5.38 -2.24 -0.53 -4.80 114.28 100.01 4azu n THR 84 Ca -0.18 -1.45 -0.29 0.00 -2.27 0.00 0.00 64.05 59.86 4azu n THR 84 Cb 0.60 -0.84 0.12 0.00 -2.10 0.00 0.00 70.33 68.12 4azu n THR 84 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 4azu s LYS 85 N -4.57 1.35 -0.17 -0.78 1.02 -1.26 -4.70 119.74 110.63 4azu s LYS 85 Ca 0.55 0.15 -0.24 0.00 0.02 0.00 0.00 55.97 56.45 4azu s LYS 85 Cb -0.04 -1.88 -0.02 0.00 -0.52 0.00 0.00 37.83 35.38 4azu s LYS 85 CO 0.36 -2.03 0.76 -1.17 -0.92 0.00 0.00 175.35 172.35 4azu s LEU 86 N -5.87 4.18 0.08 3.17 2.96 -1.26 -4.39 118.68 117.55 4azu s LEU 86 Ca 0.64 1.07 0.10 0.00 -0.22 0.00 0.00 54.13 55.72 4azu s LEU 86 Cb -0.12 -3.12 -0.03 0.00 0.50 0.00 0.00 46.19 43.42 4azu s LEU 86 CO 0.52 -0.33 -0.26 0.27 -1.32 0.00 0.00 176.35 175.22 4azu s ILE 87 N 1.94 2.23 0.72 6.68 -4.36 0.48 -4.86 121.20 124.03 4azu s ILE 87 Ca 0.35 -1.53 -0.02 0.00 -0.26 0.00 0.00 60.65 59.19 4azu s ILE 87 Cb -0.16 -1.92 0.15 0.00 1.25 0.00 0.00 42.46 41.77 4azu s ILE 87 CO 0.12 0.25 0.98 0.61 0.24 0.00 0.00 174.94 177.14 4azu n GLY 88 N 1.40 0.40 3.77 6.27 0.00 -1.26 -1.12 105.19 114.64 4azu n GLY 88 Ca -0.17 -1.99 -0.38 0.00 0.00 0.00 0.00 46.02 43.48 4azu n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 4azu s SER 89 N -4.93 6.44 0.00 1.61 1.04 -1.05 -2.47 113.70 114.35 4azu s SER 89 Ca 0.64 2.38 0.00 0.00 0.48 0.00 0.00 55.95 59.44 4azu s SER 89 Cb -0.03 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.47 4azu s SER 89 CO 0.42 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.52 4azu n GLY 90 N 0.61 0.89 3.94 7.32 0.00 -0.46 -4.96 105.19 112.53 4azu n GLY 90 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 4azu n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 4azu s GLU 91 N -0.10 3.04 -0.01 1.61 2.02 -1.03 -4.95 118.70 119.29 4azu s GLU 91 Ca 0.00 -1.06 -0.08 0.00 0.02 0.00 0.00 54.97 53.85 4azu s GLU 91 Cb 0.00 -2.73 0.01 0.00 0.10 0.00 0.00 34.13 31.51 4azu s GLU 91 CO 0.00 0.13 0.16 0.21 0.02 0.00 0.00 175.26 175.78 4azu s LYS 92 N -4.09 0.47 0.01 1.61 2.47 -1.26 -2.25 119.74 116.70 4azu s LYS 92 Ca 0.42 -0.29 -0.20 0.00 -1.56 0.00 0.00 55.97 54.35 4azu s LYS 92 Cb -0.08 0.20 0.04 0.00 -1.46 0.00 0.00 37.83 36.52 4azu s LYS 92 CO 0.29 -0.11 0.43 0.34 0.16 0.00 0.00 175.35 176.47 4azu s ASP 93 N -1.18 -0.33 0.04 1.43 2.15 -0.58 -5.02 116.67 113.18 4azu s ASP 93 Ca -0.13 0.17 0.03 0.00 0.43 0.00 0.00 52.55 53.06 4azu s ASP 93 Cb -0.07 0.41 -0.02 0.00 -0.30 0.00 0.00 42.92 42.94 4azu s ASP 93 CO 0.02 -0.58 -0.10 -0.44 -0.17 0.00 0.00 175.17 173.89 4azu s SER 94 N -1.62 1.21 -0.05 -0.34 0.01 -1.26 -0.72 113.70 110.93 4azu s SER 94 Ca -0.09 -0.45 0.03 0.00 1.31 0.00 0.00 55.95 56.75 4azu s SER 94 Cb -0.02 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.17 4azu s SER 94 CO 0.02 -0.06 -0.14 0.54 0.41 0.00 0.00 173.24 174.02 4azu s VAL 95 N -0.96 1.22 -0.11 3.43 0.11 -0.83 -4.95 120.40 118.30 4azu s VAL 95 Ca -0.03 -0.58 0.00 0.00 -2.93 0.00 0.00 61.98 58.44 4azu s VAL 95 Cb -0.08 -1.08 -0.02 0.00 -1.53 0.00 0.00 36.38 33.68 4azu s VAL 95 CO 0.01 0.36 -0.11 -0.89 -3.33 0.00 0.00 175.10 171.14 4azu s THR 96 N 0.27 3.24 0.15 5.04 2.01 -1.26 -1.15 115.64 123.93 4azu s THR 96 Ca -0.07 -0.61 0.03 0.00 0.31 0.00 0.00 61.69 61.34 4azu s THR 96 Cb -0.12 -2.35 -0.05 0.00 0.01 0.00 0.00 72.50 69.99 4azu s THR 96 CO 0.02 0.54 -0.04 0.72 -0.69 0.00 0.00 174.62 175.17 4azu s PHE 97 N 0.04 1.18 -0.01 4.92 -0.12 -0.01 -4.93 117.98 119.05 4azu s PHE 97 Ca -0.04 -0.92 -0.30 0.00 -0.05 0.00 0.00 56.93 55.63 4azu s PHE 97 Cb -0.14 -0.66 -0.03 0.00 -0.63 0.00 0.00 43.02 41.56 4azu s PHE 97 CO 0.04 -0.10 1.00 0.34 -0.05 0.00 0.00 175.22 176.44 4azu s ASP 98 N -3.15 7.33 0.47 1.98 -1.08 -1.26 -0.52 116.67 120.44 4azu s ASP 98 Ca 0.19 1.66 0.31 0.00 -0.52 0.00 0.00 52.55 54.20 4azu s ASP 98 Cb 0.05 -2.57 1.26 0.00 -1.46 0.00 0.00 42.92 40.20 4azu s ASP 98 CO 0.01 -0.30 1.91 0.58 0.52 0.00 0.00 175.17 177.89 4azu h VAL 99 N 4.83 0.00 0.00 1.11 2.07 -1.52 -2.74 116.25 119.99 4azu h VAL 99 Ca -0.40 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 66.69 4azu h VAL 99 Cb 1.21 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 4azu h VAL 99 CO 0.77 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.82 4azu n SER 100 N -2.85 0.33 0.00 0.57 3.41 -1.26 -1.08 113.62 112.74 4azu n SER 100 Ca 0.01 0.59 0.15 0.00 -0.26 0.00 0.00 58.87 59.35 4azu n SER 100 Cb 0.29 -0.66 0.81 0.00 -0.26 0.00 0.00 64.21 64.39 4azu n SER 100 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 4azu n LYS 101 N -1.87 0.68 -4.77 4.33 5.02 -1.03 -4.78 118.16 115.74 4azu n LYS 101 Ca 0.03 0.01 -0.33 0.00 -2.02 0.00 0.00 58.31 55.99 4azu n LYS 101 Cb 0.19 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.57 4azu n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 4azu s LEU 102 N -2.29 2.94 0.18 -0.35 1.43 -0.24 -5.11 118.68 115.24 4azu s LEU 102 Ca 0.36 -0.11 0.11 0.00 -1.03 0.00 0.00 54.13 53.46 4azu s LEU 102 Cb 0.20 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.76 4azu s LEU 102 CO 0.40 0.35 -0.24 -1.59 0.23 0.00 0.00 176.35 175.50 4azu s LYS 103 N -0.77 1.46 0.31 1.70 -2.85 -1.26 -5.03 119.74 113.30 4azu s LYS 103 Ca 0.12 -1.48 -0.29 0.00 -1.00 0.00 0.00 55.97 53.32 4azu s LYS 103 Cb -0.11 -1.78 -0.10 0.00 -2.06 0.00 0.00 37.83 33.79 4azu s LYS 103 CO 0.01 0.39 1.26 -2.00 0.10 0.00 0.00 175.35 175.10 4azu s GLU 104 N -2.60 4.42 0.00 1.78 2.12 -1.26 -3.24 118.70 119.93 4azu s GLU 104 Ca 0.19 2.11 0.00 0.00 0.36 0.00 0.00 54.97 57.63 4azu s GLU 104 Cb -0.08 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 31.21 4azu s GLU 104 CO 0.09 -0.10 0.00 0.41 -0.54 0.00 0.00 175.26 175.12 4azu n GLY 105 N 0.98 1.04 3.73 -1.50 0.00 -1.26 -5.05 105.19 103.13 4azu n GLY 105 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 4azu n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 4azu s GLU 106 N -0.64 3.51 -0.14 1.61 2.12 -1.20 -5.07 118.70 118.89 4azu s GLU 106 Ca 0.00 -0.29 -0.29 0.00 0.36 0.00 0.00 54.97 54.75 4azu s GLU 106 Cb 0.00 -3.09 -0.01 0.00 0.26 0.00 0.00 34.13 31.30 4azu s GLU 106 CO 0.00 0.57 1.06 -0.65 -0.54 0.00 0.00 175.26 175.70 4azu s GLN 107 N -0.47 4.35 0.13 4.30 -0.21 -1.26 -4.77 119.66 121.72 4azu s GLN 107 Ca 0.10 1.44 0.06 0.00 0.02 0.00 0.00 55.36 56.99 4azu s GLN 107 Cb -0.12 -3.59 -0.04 0.00 1.00 0.00 0.00 33.01 30.26 4azu s GLN 107 CO 0.02 -0.46 -0.03 0.71 -2.12 0.00 0.00 175.29 173.41 4azu s TYR 108 N 2.52 2.86 -0.02 0.91 2.02 -1.13 -1.53 117.35 122.99 4azu s TYR 108 Ca 0.48 -0.11 0.06 0.00 -0.37 0.00 0.00 57.07 57.13 4azu s TYR 108 Cb -0.18 -1.44 -0.01 0.00 -0.40 0.00 0.00 41.96 39.92 4azu s TYR 108 CO 0.15 0.48 -0.18 -1.64 -1.57 0.00 0.00 175.55 172.78 4azu s MET 109 N -2.54 1.50 0.13 -0.62 -1.94 -0.69 -1.48 119.30 113.65 4azu s MET 109 Ca 0.25 -0.65 0.06 0.00 -1.71 0.00 0.00 55.69 53.64 4azu s MET 109 Cb -0.11 -1.44 -0.04 0.00 2.01 0.00 0.00 34.83 35.25 4azu s MET 109 CO 0.17 0.39 0.00 -0.59 -0.01 0.00 0.00 175.02 174.98 4azu s PHE 110 N -0.41 2.93 0.14 -0.03 -0.12 0.15 -2.25 117.98 118.39 4azu s PHE 110 Ca 0.07 -0.08 -0.25 0.00 -0.05 0.00 0.00 56.93 56.62 4azu s PHE 110 Cb -0.07 -1.47 0.07 0.00 -0.63 0.00 0.00 43.02 40.92 4azu s PHE 110 CO -0.01 0.49 0.99 -0.59 -0.05 0.00 0.00 175.22 176.05 4azu s PHE 111 N -1.50 -0.11 -0.16 3.49 -0.71 -0.53 -0.87 117.98 117.59 4azu s PHE 111 Ca 0.26 -0.18 -0.05 0.00 -1.04 0.00 0.00 56.93 55.92 4azu s PHE 111 Cb -0.11 0.64 -0.03 0.00 -1.21 0.00 0.00 43.02 42.31 4azu s PHE 111 CO 0.18 -0.80 0.00 0.00 -1.34 0.00 0.00 175.22 173.27 4azu n THR 113 N 3.35 0.06 -1.79 0.00 -2.24 -1.26 -3.12 114.28 109.27 4azu n THR 113 Ca -0.17 -0.38 -0.41 0.00 -2.27 0.00 0.00 64.05 60.82 4azu n THR 113 Cb 0.53 0.84 -0.01 0.00 -2.10 0.00 0.00 70.33 69.58 4azu n THR 113 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 4azu s PHE 114 N -1.94 2.73 -0.00 4.78 2.19 -1.26 -4.40 117.98 120.08 4azu s PHE 114 Ca 0.34 0.86 -0.38 0.00 0.33 0.00 0.00 56.93 58.09 4azu s PHE 114 Cb 0.20 -4.05 -0.17 0.00 -1.31 0.00 0.00 43.02 37.70 4azu s PHE 114 CO 0.31 -3.45 1.43 -2.30 1.83 0.00 0.00 175.22 173.04 4azu n PRO 115 N 1.86 1.13 0.00 10.12 -0.02 -1.26 -1.35 135.00 145.48 4azu n PRO 115 Ca 0.07 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 4azu n PRO 115 Cb 0.38 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 4azu n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 4azu n GLY 116 N 2.90 2.83 0.21 -1.23 0.00 -1.26 -4.88 105.19 103.76 4azu n GLY 116 Ca 0.20 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.28 4azu n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 4azu h HIS 117 N 0.00 0.00 0.00 1.61 3.86 -1.47 -3.08 115.15 116.06 4azu h HIS 117 Ca 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 4azu h HIS 117 Cb 0.00 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 4azu h HIS 117 CO 0.00 0.30 -0.08 0.66 0.86 0.00 0.00 177.93 179.66 4azu h SER 118 N 0.00 0.00 -0.85 2.45 4.64 -1.74 0.20 113.55 118.26 4azu h SER 118 Ca -0.00 0.00 0.19 0.00 -0.47 0.00 0.00 61.79 61.50 4azu h SER 118 Cb 0.57 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.55 4azu h SER 118 CO 0.04 0.08 0.37 0.00 -0.87 0.00 0.00 176.83 176.46 4azu h ALA 119 N 1.92 1.31 0.00 5.18 0.00 -1.89 -3.19 119.26 122.58 4azu h ALA 119 Ca -0.00 0.14 -0.21 0.00 0.00 0.00 0.00 54.91 54.84 4azu h ALA 119 Cb 0.31 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 4azu h ALA 119 CO 0.01 -0.26 -1.78 1.28 0.00 0.00 0.00 179.25 178.50 4azu n LEU 120 N -5.00 0.12 -4.36 0.00 4.77 -0.77 -4.84 117.00 106.92 4azu n LEU 120 Ca 0.19 -0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 55.72 4azu n LEU 120 Cb 0.55 0.25 -0.00 0.00 -2.33 0.00 0.00 43.42 41.89 4azu n LEU 120 CO 0.16 0.30 0.84 -0.04 -1.33 0.00 0.00 177.39 177.31 4azu s MET 121 N -2.28 4.12 0.03 3.23 -1.94 0.65 -4.71 119.30 118.41 4azu s MET 121 Ca -0.06 -3.04 -0.18 0.00 -1.71 0.00 0.00 55.69 50.70 4azu s MET 121 Cb 0.03 -4.62 0.04 0.00 2.01 0.00 0.00 34.83 32.29 4azu s MET 121 CO 0.46 -1.33 0.41 -1.59 -0.01 0.00 0.00 175.02 172.96 4azu s LYS 122 N -0.66 0.90 0.17 2.03 -2.85 -1.26 -2.09 119.74 115.98 4azu s LYS 122 Ca 0.31 -0.32 -0.24 0.00 -1.00 0.00 0.00 55.97 54.72 4azu s LYS 122 Cb -0.09 0.40 0.06 0.00 -2.06 0.00 0.00 37.83 36.14 4azu s LYS 122 CO -0.07 -0.30 0.88 0.20 0.10 0.00 0.00 175.35 176.16 4azu s GLY 123 N -1.90 -0.23 0.08 0.59 0.00 -0.05 -4.70 107.32 101.10 4azu s GLY 123 Ca -0.06 0.09 -0.09 0.00 0.00 0.00 0.00 44.72 44.66 4azu s GLY 123 CO -0.01 0.01 0.38 -0.51 0.00 0.00 0.00 173.10 172.97 4azu s THR 124 N -3.46 5.14 -0.01 0.90 -4.23 -0.65 -0.67 115.64 112.66 4azu s THR 124 Ca 0.11 0.35 0.05 0.00 -1.18 0.00 0.00 61.69 61.03 4azu s THR 124 Cb -0.03 -3.63 -0.01 0.00 1.34 0.00 0.00 72.50 70.17 4azu s THR 124 CO 0.02 0.27 -0.17 -0.22 -0.54 0.00 0.00 174.62 173.98 4azu s LEU 125 N -1.98 2.04 -0.02 4.79 0.20 -0.55 -1.28 118.68 121.87 4azu s LEU 125 Ca 0.33 -0.32 -0.02 0.00 0.69 0.00 0.00 54.13 54.81 4azu s LEU 125 Cb -0.14 -0.88 0.00 0.00 -0.43 0.00 0.00 46.19 44.75 4azu s LEU 125 CO 0.19 0.21 0.06 0.28 -0.29 0.00 0.00 176.35 176.79 4azu s THR 126 N -0.42 0.01 -0.28 3.68 -1.32 -0.68 -2.82 115.64 113.81 4azu s THR 126 Ca 0.07 -0.11 -0.20 0.00 -1.21 0.00 0.00 61.69 60.24 4azu s THR 126 Cb -0.07 -0.12 -0.01 0.00 -1.51 0.00 0.00 72.50 70.79 4azu s THR 126 CO -0.01 -0.06 0.61 -0.22 -2.21 0.00 0.00 174.62 172.74 4azu s LEU 127 N -0.16 4.11 0.00 9.08 1.98 -1.26 -0.21 118.68 132.22 4azu s LEU 127 Ca -0.02 0.52 0.00 0.00 -2.89 0.00 0.00 54.13 51.74 4azu s LEU 127 Cb -0.02 -2.80 0.00 0.00 0.66 0.00 0.00 46.19 44.03 4azu s LEU 127 CO 0.00 -0.42 0.08 0.29 -1.89 0.00 0.00 176.35 174.41