#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 -0.73 0.00 2.13 -1.26 -4.03 120.64 116.75 4azu n GLU 2 Ca 0.00 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.83 4azu n GLU 2 Cb 0.00 0.00 0.28 0.00 0.27 0.00 0.00 31.44 31.99 4azu n GLU 2 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 4azu s SER 4 N -0.61 0.00 -0.04 0.00 1.04 -1.26 -1.73 113.70 111.11 4azu s SER 4 Ca 0.42 -0.51 -0.06 0.00 0.48 0.00 0.00 55.95 56.28 4azu s SER 4 Cb 0.33 0.37 0.01 0.00 0.10 0.00 0.00 66.02 66.83 4azu s SER 4 CO 0.11 -0.74 0.14 0.54 0.98 0.00 0.00 173.24 174.27 4azu s VAL 5 N -3.67 0.03 -0.16 5.02 0.11 -0.08 -4.53 120.40 117.11 4azu s VAL 5 Ca 0.03 -0.21 -0.05 0.00 -2.93 0.00 0.00 61.98 58.82 4azu s VAL 5 Cb 0.03 -0.28 -0.03 0.00 -1.53 0.00 0.00 36.38 34.57 4azu s VAL 5 CO -0.10 -0.12 0.02 -1.81 -3.33 0.00 0.00 175.10 169.76 4azu s ASP 6 N -0.36 5.29 0.07 3.54 1.01 -1.26 -1.19 116.67 123.77 4azu s ASP 6 Ca -0.04 0.02 0.03 0.00 0.71 0.00 0.00 52.55 53.27 4azu s ASP 6 Cb -0.03 -1.84 -0.03 0.00 1.01 0.00 0.00 42.92 42.03 4azu s ASP 6 CO 0.01 0.20 -0.10 -0.51 0.21 0.00 0.00 175.17 174.97 4azu s ILE 7 N 0.20 0.82 0.02 0.77 2.07 0.15 -4.95 121.20 120.28 4azu s ILE 7 Ca 0.02 -1.32 0.01 0.00 -1.41 0.00 0.00 60.65 57.95 4azu s ILE 7 Cb -0.13 -0.97 -0.01 0.00 0.13 0.00 0.00 42.46 41.47 4azu s ILE 7 CO 0.01 -0.40 -0.04 0.00 -1.91 0.00 0.00 174.94 172.60 4azu s GLN 8 N -2.01 0.35 -0.10 3.50 -2.07 -1.26 -1.78 119.66 116.29 4azu s GLN 8 Ca -0.03 -0.47 0.04 0.00 -1.82 0.00 0.00 55.36 53.07 4azu s GLN 8 Cb -0.08 -0.14 0.00 0.00 -1.09 0.00 0.00 33.01 31.70 4azu s GLN 8 CO 0.01 0.02 -0.23 0.20 -1.32 0.00 0.00 175.29 173.97 4azu s GLY 9 N -0.99 1.29 0.16 2.60 0.00 -1.00 -1.46 107.32 107.92 4azu s GLY 9 Ca -0.08 -0.95 0.02 0.00 0.00 0.00 0.00 44.72 43.71 4azu s GLY 9 CO -0.00 -0.24 0.15 1.16 0.00 0.00 0.00 173.10 174.17 4azu n ASN 10 N 3.64 1.24 0.00 1.64 0.23 -0.72 -3.62 115.26 117.68 4azu n ASN 10 Ca -0.19 -1.52 0.13 0.00 -0.53 0.00 0.00 54.58 52.46 4azu n ASN 10 Cb 0.53 -0.04 0.67 0.00 -2.08 0.00 0.00 39.78 38.85 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 -2.21 0.00 -2.04 0.53 8.00 -1.25 -2.90 116.55 116.68 4azu n ASP 11 Ca 0.01 -0.23 -0.07 0.00 0.71 0.00 0.00 54.79 55.21 4azu n ASP 11 Cb 0.18 -0.23 0.30 0.00 -0.02 0.00 0.00 41.12 41.35 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 -1.23 3.65 -3.68 -1.24 6.02 -1.26 -4.91 117.38 114.73 4azu n GLN 12 Ca 0.14 -3.10 -0.24 0.00 -0.01 0.00 0.00 57.00 53.79 4azu n GLN 12 Cb 0.18 -2.22 0.06 0.00 1.02 0.00 0.00 30.24 29.27 4azu n GLN 12 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 4azu n MET 13 N -0.22 -6.47 -4.08 -1.09 0.00 -1.14 -4.99 117.12 99.11 4azu n MET 13 Ca 0.43 0.73 -0.14 0.00 0.00 0.00 0.00 57.70 58.72 4azu n MET 13 Cb 1.42 -5.64 -0.13 0.00 0.00 0.00 0.00 33.22 28.87 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 -6.18 0.43 0.30 2.12 -0.21 -1.26 -4.41 119.66 110.45 4azu s GLN 14 Ca 0.40 -0.45 -0.10 0.00 0.02 0.00 0.00 55.36 55.24 4azu s GLN 14 Cb -0.19 -0.29 -0.07 0.00 1.00 0.00 0.00 33.01 33.46 4azu s GLN 14 CO 0.77 0.07 0.63 -0.06 -2.12 0.00 0.00 175.29 174.58 4azu s PHE 15 N -0.75 3.43 -1.82 0.91 0.08 -1.26 -1.75 117.98 116.83 4azu s PHE 15 Ca -0.05 0.92 0.26 0.00 0.12 0.00 0.00 56.93 58.19 4azu s PHE 15 Cb -0.06 -2.32 1.47 0.00 -0.57 0.00 0.00 43.02 41.54 4azu s PHE 15 CO 0.00 0.14 1.89 0.27 -0.10 0.00 0.00 175.22 177.42 4azu n ASN 16 N -0.59 0.00 -3.67 1.36 6.94 -0.54 -4.78 115.26 113.98 4azu n ASN 16 Ca 0.01 -0.58 -0.12 0.00 -0.02 0.00 0.00 54.58 53.86 4azu n ASN 16 Cb 0.53 -0.09 -0.06 0.00 -2.36 0.00 0.00 39.78 37.80 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 -2.18 0.06 -0.07 5.53 -1.32 -1.26 -5.01 115.64 111.39 4azu s THR 17 Ca 0.34 -0.50 0.11 0.00 -1.21 0.00 0.00 61.69 60.44 4azu s THR 17 Cb 0.18 -0.97 0.21 0.00 -1.51 0.00 0.00 72.50 70.40 4azu s THR 17 CO 0.33 -0.28 1.10 0.59 -2.21 0.00 0.00 174.62 174.15 4azu n ASN 18 N 0.44 1.13 -3.62 8.08 4.13 -1.26 -4.80 115.26 119.36 4azu n ASN 18 Ca -0.18 -2.59 -0.03 0.00 1.68 0.00 0.00 54.58 53.46 4azu n ASN 18 Cb 0.60 -0.33 -0.05 0.00 -1.54 0.00 0.00 39.78 38.46 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 -1.34 -2.07 -0.00 5.41 0.00 -1.26 -1.28 121.76 121.22 4azu s ALA 19 Ca 0.20 2.34 0.06 0.00 0.00 0.00 0.00 51.96 54.56 4azu s ALA 19 Cb 0.20 -1.70 -0.02 0.00 0.00 0.00 0.00 23.12 21.60 4azu s ALA 19 CO -0.02 -0.74 -0.19 0.42 0.00 0.00 0.00 175.76 175.22 4azu s ILE 20 N 2.42 1.52 -0.11 0.00 1.01 0.59 -4.93 121.20 121.69 4azu s ILE 20 Ca -0.07 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 59.73 4azu s ILE 20 Cb -0.09 -1.28 -0.00 0.00 0.01 0.00 0.00 42.46 41.10 4azu s ILE 20 CO -0.19 0.38 -0.21 -0.89 0.00 0.00 0.00 174.94 174.03 4azu s THR 21 N -0.51 2.30 -0.18 2.92 2.01 -1.26 -1.64 115.64 119.27 4azu s THR 21 Ca 0.07 -0.93 -0.05 0.00 0.31 0.00 0.00 61.69 61.10 4azu s THR 21 Cb -0.08 -1.91 -0.03 0.00 0.01 0.00 0.00 72.50 70.50 4azu s THR 21 CO -0.00 0.55 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.78 4azu s VAL 22 N 0.41 4.07 0.16 3.82 1.01 0.06 -4.94 120.40 124.99 4azu s VAL 22 Ca -0.15 -0.28 -0.29 0.00 0.00 0.00 0.00 61.98 61.25 4azu s VAL 22 Cb -0.17 -2.82 -0.07 0.00 0.00 0.00 0.00 36.38 33.31 4azu s VAL 22 CO 0.07 0.45 0.92 -0.62 0.00 0.00 0.00 175.10 175.92 4azu s ASP 23 N 0.68 7.52 0.40 3.32 2.15 -1.26 -0.63 116.67 128.85 4azu s ASP 23 Ca -0.00 1.81 0.28 0.00 0.43 0.00 0.00 52.55 55.06 4azu s ASP 23 Cb -0.14 -2.58 1.45 0.00 -0.30 0.00 0.00 42.92 41.35 4azu s ASP 23 CO 0.02 0.05 1.85 0.11 -0.17 0.00 0.00 175.17 177.03 4azu h LYS 24 N 4.92 0.00 0.00 4.34 1.57 -1.94 -0.71 116.57 124.75 4azu h LYS 24 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 4azu h LYS 24 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 4azu h LYS 24 CO 0.70 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 180.24 4azu h SER 25 N 0.00 0.00 -3.26 0.86 4.64 -1.95 -3.44 113.55 110.40 4azu h SER 25 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 4azu h SER 25 Cb 0.07 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.17 4azu h SER 25 CO 0.00 0.00 0.57 0.00 -0.87 0.00 0.00 176.83 176.53 4azu h LYS 27 N 6.38 0.39 -5.55 0.00 1.57 -1.88 -3.42 116.57 114.06 4azu h LYS 27 Ca -0.42 -0.67 -0.44 0.00 -1.87 0.00 0.00 60.65 57.24 4azu h LYS 27 Cb 1.21 0.25 -0.16 0.00 0.08 0.00 0.00 32.23 33.61 4azu h LYS 27 CO 0.80 1.32 -0.75 -0.65 -0.57 0.00 0.00 179.45 179.60 4azu s GLN 28 N -2.53 1.19 -0.02 3.15 -0.21 -1.26 -1.18 119.66 118.79 4azu s GLN 28 Ca -0.14 -1.42 0.02 0.00 0.02 0.00 0.00 55.36 53.85 4azu s GLN 28 Cb 0.04 -1.05 0.00 0.00 1.00 0.00 0.00 33.01 33.01 4azu s GLN 28 CO 0.86 0.19 -0.08 0.12 -2.12 0.00 0.00 175.29 174.26 4azu s PHE 29 N -2.52 0.88 -0.12 0.91 5.36 0.25 -4.85 117.98 117.90 4azu s PHE 29 Ca 0.16 -0.22 0.01 0.00 -0.96 0.00 0.00 56.93 55.92 4azu s PHE 29 Cb -0.03 -0.64 -0.01 0.00 -0.34 0.00 0.00 43.02 42.00 4azu s PHE 29 CO 0.05 -0.10 -0.17 0.99 -1.46 0.00 0.00 175.22 174.53 4azu s THR 30 N 0.22 2.70 -0.17 0.12 2.01 -0.70 -1.50 115.64 118.32 4azu s THR 30 Ca -0.03 -0.79 -0.02 0.00 0.31 0.00 0.00 61.69 61.16 4azu s THR 30 Cb -0.08 -2.10 -0.01 0.00 0.01 0.00 0.00 72.50 70.31 4azu s THR 30 CO 0.00 0.54 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.68 4azu s VAL 31 N 0.34 3.15 -0.22 3.82 1.01 -0.12 -0.90 120.40 127.47 4azu s VAL 31 Ca -0.14 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 4azu s VAL 31 Cb -0.17 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 4azu s VAL 31 CO 0.07 0.49 -0.04 0.20 0.00 0.00 0.00 175.10 175.81 4azu s ASN 32 N 0.83 4.30 -0.10 3.32 0.01 -0.33 -1.33 114.94 121.65 4azu s ASN 32 Ca -0.03 -0.41 0.01 0.00 -0.71 0.00 0.00 52.86 51.71 4azu s ASN 32 Cb -0.15 -1.74 -0.02 0.00 0.41 0.00 0.00 41.25 39.75 4azu s ASN 32 CO 0.01 -0.03 -0.10 -0.22 -1.51 0.00 0.00 177.10 175.25 4azu s LEU 33 N 1.47 2.94 0.19 0.60 2.96 0.78 -0.68 118.68 126.95 4azu s LEU 33 Ca 0.06 -0.17 0.07 0.00 -0.22 0.00 0.00 54.13 53.86 4azu s LEU 33 Cb -0.14 -1.65 -0.05 0.00 0.50 0.00 0.00 46.19 44.86 4azu s LEU 33 CO -0.03 0.27 -0.14 -0.94 -1.32 0.00 0.00 176.35 174.19 4azu s SER 34 N -0.26 2.42 -0.46 3.68 1.04 -0.73 -1.01 113.70 118.37 4azu s SER 34 Ca 0.03 -1.00 0.03 0.00 0.48 0.00 0.00 55.95 55.48 4azu s SER 34 Cb -0.13 -0.11 0.13 0.00 0.10 0.00 0.00 66.02 66.01 4azu s SER 34 CO 0.03 -0.19 0.22 -2.28 0.98 0.00 0.00 173.24 172.00 4azu s HIS 35 N -2.95 2.74 0.68 5.02 2.46 -1.09 -2.38 115.29 119.77 4azu s HIS 35 Ca 0.21 -2.82 -0.17 0.00 0.47 0.00 0.00 55.06 52.75 4azu s HIS 35 Cb -0.01 -2.45 -0.02 0.00 -0.13 0.00 0.00 32.58 29.98 4azu s HIS 35 CO 0.06 -0.79 0.92 -0.35 -2.47 0.00 0.00 174.74 172.11 4azu n PRO 36 N 3.48 0.60 0.00 2.88 -0.04 -1.24 -0.91 135.00 139.78 4azu n PRO 36 Ca 0.06 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 4azu n PRO 36 Cb 0.34 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 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 1.22 0.39 0.00 0.55 0.00 -1.26 -3.77 105.19 102.32 4azu n GLY 37 Ca 0.13 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 43.88 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 0.30 -4.78 1.61 3.02 -1.26 -4.54 115.26 109.61 4azu n ASN 38 Ca 0.00 -0.14 -0.37 0.00 -0.03 0.00 0.00 54.58 54.04 4azu n ASN 38 Cb 0.00 0.34 -0.06 0.00 -0.61 0.00 0.00 39.78 39.45 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 -0.74 4.31 0.80 3.41 1.43 -1.26 -4.82 118.68 121.81 4azu s LEU 39 Ca 0.00 1.85 -0.12 0.00 -1.03 0.00 0.00 54.13 54.83 4azu s LEU 39 Cb 0.00 -4.04 0.07 0.00 0.03 0.00 0.00 46.19 42.25 4azu s LEU 39 CO 0.00 -0.10 1.12 -2.16 0.23 0.00 0.00 176.35 175.43 4azu s PRO 40 N -2.12 2.07 0.23 1.29 0.04 -1.26 -1.34 135.00 133.91 4azu s PRO 40 Ca 0.51 0.45 -0.06 0.00 0.04 0.00 0.00 61.00 61.94 4azu s PRO 40 Cb -0.19 -1.93 0.36 0.00 0.04 0.00 0.00 34.50 32.78 4azu s PRO 40 CO 0.24 -1.59 1.78 -0.22 0.04 0.00 0.00 177.00 177.25 4azu h LYS 41 N -1.06 0.61 0.00 4.56 3.64 -1.85 -0.16 116.57 122.31 4azu h LYS 41 Ca -0.47 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 4azu h LYS 41 Cb 1.29 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 4azu h LYS 41 CO 0.62 0.40 0.00 0.27 -2.27 0.00 0.00 179.45 178.47 4azu n ASN 42 N -4.85 0.00 -0.08 4.20 0.23 -1.26 -0.14 115.26 113.36 4azu n ASN 42 Ca 0.12 0.37 -0.15 0.00 -0.53 0.00 0.00 54.58 54.39 4azu n ASN 42 Cb 0.28 -0.44 -0.07 0.00 -2.08 0.00 0.00 39.78 37.47 4azu n ASN 42 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 4azu n VAL 43 N -1.44 0.95 -2.76 3.53 0.31 -0.83 -4.83 118.33 113.26 4azu n VAL 43 Ca 0.06 -0.31 -0.04 0.00 -0.01 0.00 0.00 64.34 64.04 4azu n VAL 43 Cb 0.22 -1.37 0.04 0.00 -0.91 0.00 0.00 33.84 31.82 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 -3.34 1.45 -1.90 5.55 1.56 -0.13 -5.03 117.12 115.29 4azu n MET 44 Ca -0.31 -3.36 -0.34 0.00 -0.27 0.00 0.00 57.70 53.42 4azu n MET 44 Cb 0.78 -1.41 0.04 0.00 2.15 0.00 0.00 33.22 34.77 4azu n MET 44 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 4azu s GLY 45 N -3.46 2.31 0.06 -5.12 0.00 0.80 -4.76 107.32 97.16 4azu s GLY 45 Ca 0.27 0.65 0.03 0.00 0.00 0.00 0.00 44.72 45.67 4azu s GLY 45 CO -0.00 1.00 -0.09 0.30 0.00 0.00 0.00 173.10 174.31 4azu s HIS 46 N -2.15 0.82 0.18 1.90 3.76 -0.47 -4.71 115.29 114.63 4azu s HIS 46 Ca 0.69 -0.53 0.00 0.00 -0.15 0.00 0.00 55.06 55.07 4azu s HIS 46 Cb -0.22 -0.48 -0.04 0.00 1.11 0.00 0.00 32.58 32.95 4azu s HIS 46 CO 0.37 -0.06 0.07 0.54 -0.85 0.00 0.00 174.74 174.81 4azu s ASN 47 N -1.78 0.68 -0.22 1.40 2.20 -1.26 -0.56 114.94 115.39 4azu s ASN 47 Ca -0.06 -1.28 -0.02 0.00 -0.94 0.00 0.00 52.86 50.56 4azu s ASN 47 Cb -0.08 0.24 0.01 0.00 -2.00 0.00 0.00 41.25 39.42 4azu s ASN 47 CO 0.00 -0.72 -0.08 0.86 -2.94 0.00 0.00 177.10 174.23 4azu s TRP 48 N -3.92 2.96 -0.06 1.54 -0.00 -1.26 -4.14 118.94 114.07 4azu s TRP 48 Ca 0.30 -1.30 0.03 0.00 -0.00 0.00 0.00 56.10 55.14 4azu s TRP 48 Cb 0.07 -2.05 0.00 0.00 -0.00 0.00 0.00 33.47 31.49 4azu s TRP 48 CO 0.07 -0.67 -0.16 0.08 -0.00 0.00 0.00 176.95 176.28 4azu s VAL 49 N 1.39 1.40 -0.10 5.86 1.01 -0.01 -1.82 120.40 128.14 4azu s VAL 49 Ca 0.04 -0.66 -0.00 0.00 0.00 0.00 0.00 61.98 61.35 4azu s VAL 49 Cb -0.15 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 4azu s VAL 49 CO -0.06 0.41 -0.07 -0.22 0.00 0.00 0.00 175.10 175.16 4azu s LEU 50 N 0.36 3.10 0.00 3.92 2.96 -0.57 -0.78 118.68 127.68 4azu s LEU 50 Ca -0.11 -0.10 -0.11 0.00 -0.22 0.00 0.00 54.13 53.59 4azu s LEU 50 Cb -0.14 -1.69 0.04 0.00 0.50 0.00 0.00 46.19 44.90 4azu s LEU 50 CO 0.04 0.29 0.66 -1.54 -1.32 0.00 0.00 176.35 174.48 4azu n SER 51 N 2.71 -1.91 -4.85 3.68 3.41 -0.94 -0.97 113.62 114.75 4azu n SER 51 Ca -0.18 -2.54 -0.31 0.00 -0.26 0.00 0.00 58.87 55.58 4azu n SER 51 Cb 0.53 3.25 0.00 0.00 -0.26 0.00 0.00 64.21 67.73 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 -2.32 4.46 0.34 6.66 -4.23 -1.26 -1.46 115.64 117.83 4azu s THR 52 Ca 0.18 0.94 0.02 0.00 -1.18 0.00 0.00 61.69 61.64 4azu s THR 52 Cb -0.04 -3.71 0.27 0.00 1.34 0.00 0.00 72.50 70.37 4azu s THR 52 CO 0.13 -0.91 1.99 0.00 -0.54 0.00 0.00 174.62 175.29 4azu h ALA 53 N 0.04 1.54 0.00 3.99 0.00 -1.40 -1.97 119.26 121.46 4azu h ALA 53 Ca -0.45 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 4azu h ALA 53 Cb 1.19 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 4azu h ALA 53 CO 0.61 0.40 -0.13 0.00 0.00 0.00 0.00 179.25 180.13 4azu h ALA 54 N 1.57 1.22 0.00 0.00 0.00 -1.93 -3.00 119.26 117.13 4azu h ALA 54 Ca 0.27 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.06 4azu h ALA 54 Cb -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.74 4azu h ALA 54 CO -0.07 0.17 -0.95 -0.25 0.00 0.00 0.00 179.25 178.15 4azu n ASP 55 N -3.57 0.66 -0.16 0.00 8.00 -0.78 -4.56 116.55 116.13 4azu n ASP 55 Ca -0.01 -0.39 -0.04 0.00 0.71 0.00 0.00 54.79 55.06 4azu n ASP 55 Cb 0.27 0.78 0.06 0.00 -0.02 0.00 0.00 41.12 42.20 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 0.43 -0.59 -1.24 4.05 -1.30 -1.54 114.93 114.74 4azu h MET 56 Ca 0.00 -0.03 0.05 0.00 -0.28 0.00 0.00 59.70 59.44 4azu h MET 56 Cb 0.64 -0.10 -0.05 0.00 -0.80 0.00 0.00 31.60 31.30 4azu h MET 56 CO 0.00 0.28 0.33 0.37 0.23 0.00 0.00 176.91 178.12 4azu h GLN 57 N 0.44 0.61 -0.48 0.39 5.75 -1.80 -0.93 115.11 119.09 4azu h GLN 57 Ca 0.23 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.64 4azu h GLN 57 Cb 0.19 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.58 4azu h GLN 57 CO -0.19 0.40 0.09 0.78 -2.65 0.00 0.00 178.83 177.26 4azu h GLY 58 N 0.63 0.85 0.94 2.39 0.00 -1.77 -0.61 103.07 105.50 4azu h GLY 58 Ca 0.26 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 47.03 4azu h GLY 58 CO -0.15 0.52 -0.03 -2.08 0.00 0.00 0.00 176.54 174.79 4azu h VAL 59 N 0.66 0.92 -0.10 4.60 2.07 -0.86 -1.37 116.25 122.17 4azu h VAL 59 Ca 0.15 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.69 4azu h VAL 59 Cb 0.38 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 4azu h VAL 59 CO 0.01 0.00 -0.04 0.58 0.02 0.00 0.00 177.57 178.14 4azu h VAL 60 N -0.07 0.87 0.21 2.57 2.07 -1.00 0.35 116.25 121.26 4azu h VAL 60 Ca 0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 4azu h VAL 60 Cb 0.07 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 4azu h VAL 60 CO -0.02 0.00 -0.10 0.74 0.02 0.00 0.00 177.57 178.21 4azu h THR 61 N -0.02 0.85 0.00 2.57 2.02 -1.01 0.44 112.91 117.76 4azu h THR 61 Ca 0.05 -0.33 -0.05 0.00 0.77 0.00 0.00 66.41 66.86 4azu h THR 61 Cb 0.10 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 4azu h THR 61 CO -0.12 0.08 -0.22 0.44 0.37 0.00 0.00 175.52 176.07 4azu h ASP 62 N -0.44 0.00 -0.38 4.18 3.32 -1.25 -2.06 116.42 119.78 4azu h ASP 62 Ca -0.03 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 4azu h ASP 62 Cb 0.34 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 4azu h ASP 62 CO 0.05 0.22 0.06 1.23 -1.72 0.00 0.00 179.24 179.08 4azu h GLY 63 N 1.13 0.69 0.61 2.75 0.00 -0.48 -2.19 103.07 105.57 4azu h GLY 63 Ca -0.00 -0.46 0.02 0.00 0.00 0.00 0.00 47.33 46.89 4azu h GLY 63 CO 0.03 0.43 -0.16 1.98 0.00 0.00 0.00 176.54 178.82 4azu h MET 64 N 0.48 -0.25 0.00 4.80 1.85 -0.24 -2.11 114.93 119.46 4azu h MET 64 Ca 0.12 0.02 -0.00 0.00 -0.61 0.00 0.00 59.70 59.22 4azu h MET 64 Cb 0.37 0.06 -0.00 0.00 0.43 0.00 0.00 31.60 32.46 4azu h MET 64 CO 0.01 -0.17 -0.01 0.00 -0.40 0.00 0.00 176.91 176.34 4azu h ALA 65 N 0.68 1.20 0.00 0.39 0.00 -1.30 -2.71 119.26 117.52 4azu h ALA 65 Ca 0.05 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 4azu h ALA 65 Cb 0.33 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 4azu h ALA 65 CO -0.15 0.02 -0.33 0.77 0.00 0.00 0.00 179.25 179.55 4azu h SER 66 N 0.00 0.00 -4.40 0.00 0.02 -0.72 -3.50 113.55 104.94 4azu h SER 66 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 4azu h SER 66 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 4azu h SER 66 CO 0.00 0.33 0.00 0.61 -1.14 0.00 0.00 176.83 176.63 4azu n GLY 67 N 0.68 -0.61 0.31 -3.77 0.00 -1.03 -4.19 105.19 96.58 4azu n GLY 67 Ca 0.01 -1.72 -0.03 0.00 0.00 0.00 0.00 46.02 44.28 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 0.81 -2.58 0.99 5.85 -1.92 -1.07 115.31 117.38 4azu h LEU 68 Ca 0.00 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 4azu h LEU 68 Cb 0.00 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.82 4azu h LEU 68 CO 0.00 0.79 -0.01 0.44 -0.34 0.00 0.00 178.44 179.32 4azu h ASP 69 N 0.83 0.00 -0.64 1.25 3.32 -2.02 -0.47 116.42 118.69 4azu h ASP 69 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 4azu h ASP 69 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 4azu h ASP 69 CO -0.00 0.01 0.00 0.29 -1.72 0.00 0.00 179.24 177.82 4azu n LYS 70 N -3.52 3.42 -3.71 3.56 4.76 -0.88 -4.95 118.16 116.83 4azu n LYS 70 Ca -0.03 -2.78 -0.28 0.00 -2.87 0.00 0.00 58.31 52.35 4azu n LYS 70 Cb 0.10 -1.77 0.02 0.00 -1.84 0.00 0.00 35.03 31.54 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 1.16 -4.86 -4.14 4.39 8.00 -0.19 -2.37 116.55 118.54 4azu n ASP 71 Ca 0.24 -0.65 -0.33 0.00 0.71 0.00 0.00 54.79 54.76 4azu n ASP 71 Cb 0.80 -3.90 -0.02 0.00 -0.02 0.00 0.00 41.12 37.98 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 -4.56 -1.76 -3.80 1.24 4.01 -0.46 -4.71 117.16 107.13 4azu n TYR 72 Ca 0.02 0.79 -0.14 0.00 -0.16 0.00 0.00 57.90 58.42 4azu n TYR 72 Cb 0.54 -3.21 -0.15 0.00 -0.31 0.00 0.00 39.34 36.21 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 1.26 0.21 7.72 1.43 -1.00 -4.30 118.68 116.81 4azu s LEU 73 Ca 0.56 0.13 -0.31 0.00 -1.03 0.00 0.00 54.13 53.48 4azu s LEU 73 Cb -0.30 0.14 -0.10 0.00 0.03 0.00 0.00 46.19 45.96 4azu s LEU 73 CO 0.91 -0.09 1.54 -0.75 0.23 0.00 0.00 176.35 178.19 4azu s LYS 74 N 0.69 4.21 0.21 1.70 2.20 -1.26 -4.84 119.74 122.65 4azu s LYS 74 Ca -0.05 2.39 -0.32 0.00 -0.36 0.00 0.00 55.97 57.62 4azu s LYS 74 Cb -0.08 -3.12 -0.13 0.00 -1.51 0.00 0.00 37.83 33.00 4azu s LYS 74 CO -0.03 -0.55 1.62 -2.30 -0.36 0.00 0.00 175.35 173.73 4azu n PRO 75 N 3.14 2.49 -3.90 4.03 -0.02 -1.26 -2.91 135.00 136.57 4azu n PRO 75 Ca 0.11 0.89 -0.29 0.00 -2.02 0.00 0.00 63.50 62.19 4azu n PRO 75 Cb 0.39 -2.69 0.02 0.00 -0.02 0.00 0.00 33.50 31.21 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 3.30 -4.31 -4.64 2.55 8.00 -1.26 -4.91 116.55 115.28 4azu n ASP 76 Ca 0.15 -0.79 -0.43 0.00 0.71 0.00 0.00 54.79 54.43 4azu n ASP 76 Cb 0.33 -3.86 -0.03 0.00 -0.02 0.00 0.00 41.12 37.55 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 -3.44 6.51 0.40 -2.24 -1.08 -1.15 -4.89 116.67 110.79 4azu s ASP 77 Ca 0.59 1.90 0.29 0.00 -0.52 0.00 0.00 52.55 54.80 4azu s ASP 77 Cb -0.29 -2.53 1.21 0.00 -1.46 0.00 0.00 42.92 39.85 4azu s ASP 77 CO 0.83 -1.10 1.85 0.77 0.52 0.00 0.00 175.17 178.04 4azu h SER 78 N 10.19 0.00 1.32 -0.34 4.64 -1.94 -2.20 113.55 125.22 4azu h SER 78 Ca -0.36 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.94 4azu h SER 78 Cb 1.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 4azu h SER 78 CO 0.98 0.00 -0.08 0.03 -0.87 0.00 0.00 176.83 176.88 4azu h ARG 79 N 0.00 0.00 -5.98 4.77 3.08 -1.97 -3.43 114.38 110.84 4azu h ARG 79 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 4azu h ARG 79 Cb 0.39 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.35 4azu h ARG 79 CO 0.00 0.08 0.57 0.08 -1.07 0.00 0.00 179.97 179.63 4azu s VAL 80 N -3.48 4.68 0.03 2.04 1.01 -0.83 -4.52 120.40 119.33 4azu s VAL 80 Ca 0.03 1.38 -0.20 0.00 0.00 0.00 0.00 61.98 63.19 4azu s VAL 80 Cb 0.08 -4.26 -0.17 0.00 0.00 0.00 0.00 36.38 32.04 4azu s VAL 80 CO 0.62 -0.35 1.26 0.40 0.00 0.00 0.00 175.10 177.03 4azu h ILE 81 N 5.66 1.38 -3.20 2.22 2.04 -1.34 -3.48 117.51 120.79 4azu h ILE 81 Ca -0.23 -1.56 -0.04 0.00 1.00 0.00 0.00 64.86 64.03 4azu h ILE 81 Cb 1.08 2.10 -0.13 0.00 -0.74 0.00 0.00 36.82 39.13 4azu h ILE 81 CO 0.94 0.46 0.04 0.00 0.00 0.00 0.00 178.15 179.59 4azu s ALA 82 N -3.94 -1.20 -0.01 1.87 0.00 -1.24 -5.01 121.76 112.23 4azu s ALA 82 Ca -0.14 0.20 -0.28 0.00 0.00 0.00 0.00 51.96 51.73 4azu s ALA 82 Cb 0.05 0.74 0.10 0.00 0.00 0.00 0.00 23.12 24.00 4azu s ALA 82 CO 0.77 -0.68 0.86 -3.38 0.00 0.00 0.00 175.76 173.34 4azu s HIS 83 N -3.67 -0.39 0.11 0.00 -3.43 -1.26 -1.51 115.29 105.14 4azu s HIS 83 Ca 0.02 0.34 0.01 0.00 -0.80 0.00 0.00 55.06 54.63 4azu s HIS 83 Cb 0.01 0.52 0.02 0.00 -1.43 0.00 0.00 32.58 31.70 4azu s HIS 83 CO -0.12 -0.55 0.15 0.25 -2.00 0.00 0.00 174.74 172.48 4azu n THR 84 N -0.05 0.00 -2.27 -5.38 -2.24 -0.76 -4.86 114.28 98.72 4azu n THR 84 Ca -0.10 -0.32 -0.27 0.00 -2.27 0.00 0.00 64.05 61.08 4azu n THR 84 Cb 0.61 -1.02 0.04 0.00 -2.10 0.00 0.00 70.33 67.86 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 -2.58 2.82 -0.17 -0.78 1.02 -1.26 -4.75 119.74 114.04 4azu s LYS 85 Ca 0.11 0.06 -0.23 0.00 0.02 0.00 0.00 55.97 55.93 4azu s LYS 85 Cb -0.01 -2.21 -0.02 0.00 -0.52 0.00 0.00 37.83 35.07 4azu s LYS 85 CO 0.07 -0.83 0.74 -1.17 -0.92 0.00 0.00 175.35 173.24 4azu s LEU 86 N -5.10 4.18 0.09 3.17 2.96 -1.26 -4.36 118.68 118.36 4azu s LEU 86 Ca 0.55 1.05 0.09 0.00 -0.22 0.00 0.00 54.13 55.60 4azu s LEU 86 Cb -0.11 -3.09 -0.04 0.00 0.50 0.00 0.00 46.19 43.46 4azu s LEU 86 CO 0.46 -0.32 -0.22 0.27 -1.32 0.00 0.00 176.35 175.22 4azu s ILE 87 N 1.92 2.55 0.75 6.68 -4.36 0.28 -4.86 121.20 124.15 4azu s ILE 87 Ca 0.35 -1.50 -0.02 0.00 -0.26 0.00 0.00 60.65 59.22 4azu s ILE 87 Cb -0.16 -2.11 0.15 0.00 1.25 0.00 0.00 42.46 41.59 4azu s ILE 87 CO 0.12 0.19 1.02 0.61 0.24 0.00 0.00 174.94 177.12 4azu n GLY 88 N 1.14 0.47 3.76 6.27 0.00 -1.26 -1.36 105.19 114.21 4azu n GLY 88 Ca -0.17 -2.00 -0.38 0.00 0.00 0.00 0.00 46.02 43.47 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 -5.11 5.91 0.00 1.61 1.04 -0.45 -2.29 113.70 114.42 4azu s SER 89 Ca 0.67 2.55 0.00 0.00 0.48 0.00 0.00 55.95 59.64 4azu s SER 89 Cb -0.04 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.46 4azu s SER 89 CO 0.44 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 174.16 4azu n GLY 90 N 0.59 0.41 3.84 7.32 0.00 -0.08 -4.96 105.19 112.31 4azu n GLY 90 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.51 2.80 0.10 1.61 2.02 -0.97 -4.97 118.70 118.79 4azu s GLU 91 Ca 0.00 -1.20 -0.06 0.00 0.02 0.00 0.00 54.97 53.73 4azu s GLU 91 Cb 0.00 -2.51 -0.02 0.00 0.10 0.00 0.00 34.13 31.71 4azu s GLU 91 CO 0.00 0.21 0.14 -1.59 0.02 0.00 0.00 175.26 174.05 4azu s LYS 92 N -3.93 0.87 0.11 1.61 -2.85 -1.26 -2.68 119.74 111.59 4azu s LYS 92 Ca 0.38 -1.12 -0.17 0.00 -1.00 0.00 0.00 55.97 54.06 4azu s LYS 92 Cb -0.07 0.31 0.04 0.00 -2.06 0.00 0.00 37.83 36.05 4azu s LYS 92 CO 0.26 -0.26 0.41 0.34 0.10 0.00 0.00 175.35 176.19 4azu s ASP 93 N -2.92 -0.25 0.05 0.03 2.15 -0.18 -4.99 116.67 110.56 4azu s ASP 93 Ca 0.10 -0.25 0.03 0.00 0.43 0.00 0.00 52.55 52.87 4azu s ASP 93 Cb 0.06 0.47 -0.03 0.00 -0.30 0.00 0.00 42.92 43.12 4azu s ASP 93 CO -0.07 -0.82 -0.10 -0.55 -0.17 0.00 0.00 175.17 173.46 4azu s SER 94 N -2.64 1.19 -0.05 -0.34 0.15 -1.26 -0.15 113.70 110.59 4azu s SER 94 Ca 0.01 -0.56 -0.03 0.00 0.70 0.00 0.00 55.95 56.08 4azu s SER 94 Cb 0.01 -0.00 0.03 0.00 -1.71 0.00 0.00 66.02 64.34 4azu s SER 94 CO -0.10 -0.14 0.12 0.54 1.20 0.00 0.00 173.24 174.86 4azu s VAL 95 N -1.28 -0.03 -0.06 4.45 0.11 -0.44 -4.94 120.40 118.21 4azu s VAL 95 Ca -0.06 0.10 0.04 0.00 -2.93 0.00 0.00 61.98 59.13 4azu s VAL 95 Cb -0.10 -0.19 -0.02 0.00 -1.53 0.00 0.00 36.38 34.55 4azu s VAL 95 CO 0.01 0.04 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.76 4azu s THR 96 N 0.67 2.79 0.07 5.04 2.01 -1.26 -0.95 115.64 124.01 4azu s THR 96 Ca -0.05 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.15 4azu s THR 96 Cb -0.07 -2.08 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 4azu s THR 96 CO -0.03 0.58 -0.06 0.72 -0.69 0.00 0.00 174.62 175.14 4azu s PHE 97 N -0.47 0.73 -0.06 4.92 -0.71 -0.56 -4.95 117.98 116.88 4azu s PHE 97 Ca 0.06 -0.79 -0.30 0.00 -1.04 0.00 0.00 56.93 54.86 4azu s PHE 97 Cb -0.12 -0.44 -0.03 0.00 -1.21 0.00 0.00 43.02 41.22 4azu s PHE 97 CO 0.02 -0.17 1.14 0.34 -1.34 0.00 0.00 175.22 175.21 4azu s ASP 98 N -2.50 7.12 0.56 1.98 -1.08 -1.26 -0.58 116.67 120.90 4azu s ASP 98 Ca 0.03 1.74 0.34 0.00 -0.52 0.00 0.00 52.55 54.15 4azu s ASP 98 Cb 0.00 -2.56 1.53 0.00 -1.46 0.00 0.00 42.92 40.44 4azu s ASP 98 CO -0.04 -0.53 2.05 0.58 0.52 0.00 0.00 175.17 177.76 4azu h VAL 99 N 5.00 0.13 0.00 1.11 2.07 -1.41 -1.78 116.25 121.37 4azu h VAL 99 Ca -0.34 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 66.70 4azu h VAL 99 Cb 1.16 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 4azu h VAL 99 CO 0.87 0.04 0.00 -1.20 0.02 0.00 0.00 177.57 177.29 4azu n SER 100 N -3.19 0.02 -0.37 0.57 7.64 -1.26 -0.94 113.62 116.09 4azu n SER 100 Ca -0.00 0.51 0.10 0.00 1.01 0.00 0.00 58.87 60.49 4azu n SER 100 Cb 0.27 -0.51 0.45 0.00 -1.01 0.00 0.00 64.21 63.41 4azu n SER 100 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 4azu n LYS 101 N -1.52 1.49 -4.83 1.43 5.02 -0.67 -4.79 118.16 114.28 4azu n LYS 101 Ca 0.02 -0.73 -0.33 0.00 -2.02 0.00 0.00 58.31 55.26 4azu n LYS 101 Cb 0.12 -1.37 -0.14 0.00 -0.02 0.00 0.00 35.03 33.62 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 -1.61 2.72 0.07 -0.35 1.43 -0.11 -5.12 118.68 115.70 4azu s LEU 102 Ca 0.32 -0.27 0.05 0.00 -1.03 0.00 0.00 54.13 53.19 4azu s LEU 102 Cb 0.16 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.76 4azu s LEU 102 CO 0.25 0.24 -0.04 -1.59 0.23 0.00 0.00 176.35 175.45 4azu s LYS 103 N -0.12 2.46 0.39 1.70 -2.85 -1.26 -5.04 119.74 115.03 4azu s LYS 103 Ca -0.01 -0.84 -0.26 0.00 -1.00 0.00 0.00 55.97 53.86 4azu s LYS 103 Cb -0.14 -2.48 -0.09 0.00 -2.06 0.00 0.00 37.83 33.07 4azu s LYS 103 CO 0.03 0.55 1.22 -1.83 0.10 0.00 0.00 175.35 175.43 4azu s GLU 104 N -2.02 4.06 0.00 1.78 -1.05 -1.26 -2.86 118.70 117.34 4azu s GLU 104 Ca 0.22 1.96 0.00 0.00 -0.15 0.00 0.00 54.97 57.00 4azu s GLU 104 Cb -0.11 -2.74 0.00 0.00 -0.44 0.00 0.00 34.13 30.84 4azu s GLU 104 CO 0.14 -0.35 0.00 0.41 0.95 0.00 0.00 175.26 176.41 4azu n GLY 105 N 0.68 0.75 3.60 -3.83 0.00 -1.26 -5.05 105.19 100.08 4azu n GLY 105 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.54 2.94 -0.25 1.61 2.12 -1.14 -5.09 118.70 118.35 4azu s GLU 106 Ca 0.00 -0.51 -0.23 0.00 0.36 0.00 0.00 54.97 54.59 4azu s GLU 106 Cb 0.00 -2.69 -0.01 0.00 0.26 0.00 0.00 34.13 31.69 4azu s GLU 106 CO 0.00 0.61 0.77 -0.65 -0.54 0.00 0.00 175.26 175.46 4azu s GLN 107 N -0.66 4.14 0.18 4.30 -0.21 -1.26 -4.86 119.66 121.29 4azu s GLN 107 Ca 0.10 0.81 0.07 0.00 0.02 0.00 0.00 55.36 56.36 4azu s GLN 107 Cb -0.12 -3.65 -0.04 0.00 1.00 0.00 0.00 33.01 30.20 4azu s GLN 107 CO 0.02 -0.51 0.02 0.71 -2.12 0.00 0.00 175.29 173.41 4azu s TYR 108 N 2.76 2.87 0.01 0.91 2.02 -1.23 -1.13 117.35 123.56 4azu s TYR 108 Ca 0.32 -0.13 0.02 0.00 -0.37 0.00 0.00 57.07 56.91 4azu s TYR 108 Cb -0.15 -1.37 -0.01 0.00 -0.40 0.00 0.00 41.96 40.03 4azu s TYR 108 CO 0.08 0.53 -0.06 -1.64 -1.57 0.00 0.00 175.55 172.89 4azu s MET 109 N -3.06 0.45 0.13 -0.62 -1.94 -0.53 -2.31 119.30 111.42 4azu s MET 109 Ca 0.28 -0.30 0.06 0.00 -1.71 0.00 0.00 55.69 54.03 4azu s MET 109 Cb -0.09 -0.39 -0.04 0.00 2.01 0.00 0.00 34.83 36.32 4azu s MET 109 CO 0.19 0.10 -0.03 -0.59 -0.01 0.00 0.00 175.02 174.68 4azu s PHE 110 N -0.37 2.85 0.16 -0.03 -0.12 -0.25 -2.21 117.98 118.02 4azu s PHE 110 Ca -0.00 -0.11 -0.25 0.00 -0.05 0.00 0.00 56.93 56.52 4azu s PHE 110 Cb -0.04 -1.44 0.07 0.00 -0.63 0.00 0.00 43.02 40.98 4azu s PHE 110 CO -0.00 0.48 0.97 -0.59 -0.05 0.00 0.00 175.22 176.03 4azu s PHE 111 N -1.44 -0.10 -0.14 3.49 -0.71 0.04 -1.09 117.98 118.04 4azu s PHE 111 Ca 0.25 -0.22 -0.04 0.00 -1.04 0.00 0.00 56.93 55.88 4azu s PHE 111 Cb -0.11 0.65 -0.03 0.00 -1.21 0.00 0.00 43.02 42.32 4azu s PHE 111 CO 0.17 -0.84 0.01 0.00 -1.34 0.00 0.00 175.22 173.22 4azu n THR 113 N 3.02 0.45 -1.95 0.00 -2.24 -1.26 -3.07 114.28 109.23 4azu n THR 113 Ca -0.18 -0.67 -0.41 0.00 -2.27 0.00 0.00 64.05 60.52 4azu n THR 113 Cb 0.53 0.86 -0.02 0.00 -2.10 0.00 0.00 70.33 69.59 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 -1.55 2.97 -0.09 4.78 2.19 -1.26 -4.45 117.98 120.57 4azu s PHE 114 Ca 0.37 0.91 -0.40 0.00 0.33 0.00 0.00 56.93 58.15 4azu s PHE 114 Cb 0.22 -3.89 -0.18 0.00 -1.31 0.00 0.00 43.02 37.86 4azu s PHE 114 CO 0.31 -2.98 1.42 -2.30 1.83 0.00 0.00 175.22 173.49 4azu n PRO 115 N 2.54 0.77 0.00 10.12 -0.02 -1.26 -1.41 135.00 145.74 4azu n PRO 115 Ca 0.08 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 4azu n PRO 115 Cb 0.39 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 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 2.91 2.61 0.29 -1.23 0.00 -1.26 -4.88 105.19 103.63 4azu n GLY 116 Ca 0.22 0.00 0.04 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 0.41 0.00 1.61 3.86 -1.51 -2.93 115.15 116.59 4azu h HIS 117 Ca 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 4azu h HIS 117 Cb 0.00 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.33 4azu h HIS 117 CO 0.00 0.29 -0.01 0.66 0.86 0.00 0.00 177.93 179.74 4azu h SER 118 N 0.43 0.00 -0.82 2.45 4.64 -1.73 0.13 113.55 118.64 4azu h SER 118 Ca 0.11 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.54 4azu h SER 118 Cb 0.02 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.05 4azu h SER 118 CO -0.02 0.01 0.54 0.00 -0.87 0.00 0.00 176.83 176.48 4azu h ALA 119 N 1.99 1.76 0.00 5.18 0.00 -1.86 -3.25 119.26 123.09 4azu h ALA 119 Ca -0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 4azu h ALA 119 Cb 0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 4azu h ALA 119 CO 0.00 0.06 -1.24 1.28 0.00 0.00 0.00 179.25 179.35 4azu n LEU 120 N -4.52 0.00 -4.35 0.00 4.77 -0.49 -4.85 117.00 107.56 4azu n LEU 120 Ca 0.14 0.00 -0.46 0.00 -0.03 0.00 0.00 56.01 55.66 4azu n LEU 120 Cb 0.35 0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.49 4azu n LEU 120 CO 0.32 0.06 0.65 -0.04 -1.33 0.00 0.00 177.39 177.05 4azu s MET 121 N -2.17 3.89 0.07 3.23 -1.94 0.32 -4.70 119.30 118.00 4azu s MET 121 Ca -0.02 -2.76 -0.26 0.00 -1.71 0.00 0.00 55.69 50.94 4azu s MET 121 Cb 0.02 -4.54 0.08 0.00 2.01 0.00 0.00 34.83 32.40 4azu s MET 121 CO 0.17 -1.31 0.72 -1.59 -0.01 0.00 0.00 175.02 173.00 4azu s LYS 122 N -0.27 1.07 0.16 2.03 -2.85 -1.26 -1.53 119.74 117.09 4azu s LYS 122 Ca 0.25 -0.32 -0.23 0.00 -1.00 0.00 0.00 55.97 54.67 4azu s LYS 122 Cb -0.09 0.50 0.08 0.00 -2.06 0.00 0.00 37.83 36.25 4azu s LYS 122 CO -0.08 -0.45 1.06 0.20 0.10 0.00 0.00 175.35 176.17 4azu s GLY 123 N -2.45 0.05 0.16 0.59 0.00 -0.25 -4.68 107.32 100.74 4azu s GLY 123 Ca 0.01 -0.24 -0.07 0.00 0.00 0.00 0.00 44.72 44.42 4azu s GLY 123 CO -0.09 2.39 0.43 -0.51 0.00 0.00 0.00 173.10 175.32 4azu s THR 124 N -2.26 5.09 -0.05 0.90 -4.23 -0.40 -1.09 115.64 113.61 4azu s THR 124 Ca 0.21 0.20 0.05 0.00 -1.18 0.00 0.00 61.69 60.96 4azu s THR 124 Cb -0.02 -3.62 -0.00 0.00 1.34 0.00 0.00 72.50 70.19 4azu s THR 124 CO 0.04 0.03 -0.18 -0.22 -0.54 0.00 0.00 174.62 173.75 4azu s LEU 125 N -2.63 1.94 -0.01 4.79 0.20 -0.98 -0.30 118.68 121.70 4azu s LEU 125 Ca 0.42 -0.38 0.01 0.00 0.69 0.00 0.00 54.13 54.87 4azu s LEU 125 Cb -0.12 -1.04 0.00 0.00 -0.43 0.00 0.00 46.19 44.60 4azu s LEU 125 CO 0.23 0.17 -0.02 0.28 -0.29 0.00 0.00 176.35 176.71 4azu s THR 126 N 0.02 0.19 -0.17 3.68 -1.32 -0.65 -3.53 115.64 113.86 4azu s THR 126 Ca -0.04 -0.07 -0.29 0.00 -1.21 0.00 0.00 61.69 60.07 4azu s THR 126 Cb -0.12 -0.19 -0.00 0.00 -1.51 0.00 0.00 72.50 70.68 4azu s THR 126 CO 0.03 0.07 1.06 -0.76 -2.21 0.00 0.00 174.62 172.80 4azu s LEU 127 N 0.12 4.17 0.00 9.08 1.43 -1.26 -0.76 118.68 131.45 4azu s LEU 127 Ca -0.01 1.48 0.00 0.00 -1.03 0.00 0.00 54.13 54.57 4azu s LEU 127 Cb -0.03 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.64 4azu s LEU 127 CO -0.00 -0.59 0.00 0.29 0.23 0.00 0.00 176.35 176.27