#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4azu s GLU 2 N 0.00 3.93 -1.39 0.00 2.12 -1.26 -3.57 118.70 118.53 4azu s GLU 2 Ca 0.00 2.08 -0.14 0.00 0.36 0.00 0.00 54.97 57.27 4azu s GLU 2 Cb 0.00 -4.08 0.12 0.00 0.26 0.00 0.00 34.13 30.43 4azu s GLU 2 CO 0.00 -1.16 0.55 0.00 -0.54 0.00 0.00 175.26 174.12 4azu s SER 4 N -2.91 -0.53 0.02 0.00 1.04 -1.23 -1.73 113.70 108.36 4azu s SER 4 Ca 0.54 0.39 -0.00 0.00 0.48 0.00 0.00 55.95 57.36 4azu s SER 4 Cb -0.30 0.47 -0.02 0.00 0.10 0.00 0.00 66.02 66.27 4azu s SER 4 CO 0.67 -0.62 -0.03 0.54 0.98 0.00 0.00 173.24 174.77 4azu s VAL 5 N -1.99 0.12 -0.10 5.02 0.11 -0.26 -1.70 120.40 121.58 4azu s VAL 5 Ca -0.04 -0.96 0.02 0.00 -2.93 0.00 0.00 61.98 58.07 4azu s VAL 5 Cb -0.00 -0.33 -0.01 0.00 -1.53 0.00 0.00 36.38 34.50 4azu s VAL 5 CO 0.00 -0.53 -0.16 -1.81 -3.33 0.00 0.00 175.10 169.28 4azu s ASP 6 N -1.54 3.82 0.02 3.54 1.01 -1.26 -0.62 116.67 121.65 4azu s ASP 6 Ca -0.15 -0.35 0.01 0.00 0.71 0.00 0.00 52.55 52.78 4azu s ASP 6 Cb -0.09 -1.37 -0.02 0.00 1.01 0.00 0.00 42.92 42.45 4azu s ASP 6 CO -0.02 0.21 -0.05 -0.51 0.21 0.00 0.00 175.17 175.01 4azu s ILE 7 N 0.10 0.35 0.04 0.77 2.07 0.16 -4.94 121.20 119.75 4azu s ILE 7 Ca -0.07 -0.76 0.08 0.00 -1.41 0.00 0.00 60.65 58.49 4azu s ILE 7 Cb -0.15 -0.41 -0.02 0.00 0.13 0.00 0.00 42.46 42.01 4azu s ILE 7 CO 0.05 -0.27 -0.22 -1.10 -1.91 0.00 0.00 174.94 171.48 4azu s GLN 8 N -1.10 1.55 -0.19 3.50 -0.21 -1.26 -1.27 119.66 120.68 4azu s GLN 8 Ca -0.08 -0.96 0.01 0.00 0.02 0.00 0.00 55.36 54.35 4azu s GLN 8 Cb -0.07 -1.65 0.03 0.00 1.00 0.00 0.00 33.01 32.31 4azu s GLN 8 CO -0.00 0.43 -0.17 0.20 -2.12 0.00 0.00 175.29 173.62 4azu s GLY 9 N -1.09 1.38 0.30 3.09 0.00 -0.46 -1.55 107.32 108.99 4azu s GLY 9 Ca 0.09 -1.24 0.04 0.00 0.00 0.00 0.00 44.72 43.60 4azu s GLY 9 CO 0.01 0.38 0.33 1.16 0.00 0.00 0.00 173.10 174.99 4azu n ASN 10 N 4.62 1.46 0.00 1.64 0.23 -0.88 -3.58 115.26 118.75 4azu n ASN 10 Ca -0.19 -1.89 0.09 0.00 -0.53 0.00 0.00 54.58 52.06 4azu n ASN 10 Cb 0.49 -0.14 0.54 0.00 -2.08 0.00 0.00 39.78 38.59 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 -2.33 0.00 -1.15 0.53 8.00 -1.25 -3.03 116.55 117.31 4azu n ASP 11 Ca 0.04 -1.21 0.03 0.00 0.71 0.00 0.00 54.79 54.36 4azu n ASP 11 Cb 0.32 0.00 0.25 0.00 -0.02 0.00 0.00 41.12 41.67 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 -0.82 2.76 -3.69 -1.24 3.00 -1.26 -4.97 117.38 111.16 4azu n GLN 12 Ca 0.14 -2.98 -0.25 0.00 -0.01 0.00 0.00 57.00 53.90 4azu n GLN 12 Cb 0.06 -1.90 0.03 0.00 0.00 0.00 0.00 30.24 28.43 4azu n GLN 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 4azu n MET 13 N -0.63 -3.18 -4.16 -1.09 2.81 -1.17 -5.01 117.12 104.70 4azu n MET 13 Ca 0.28 0.56 -0.16 0.00 -1.81 0.00 0.00 57.70 56.57 4azu n MET 13 Cb 1.02 -4.80 -0.14 0.00 -0.71 0.00 0.00 33.22 28.59 4azu n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 4azu s GLN 14 N -5.90 0.48 0.21 0.03 -0.21 -1.26 -4.52 119.66 108.48 4azu s GLN 14 Ca 0.20 -0.32 -0.04 0.00 0.02 0.00 0.00 55.36 55.23 4azu s GLN 14 Cb -0.06 -0.42 -0.05 0.00 1.00 0.00 0.00 33.01 33.48 4azu s GLN 14 CO 0.83 0.11 0.43 -0.06 -2.12 0.00 0.00 175.29 174.49 4azu s PHE 15 N -0.38 3.47 -0.80 0.91 0.08 -1.26 -2.07 117.98 117.94 4azu s PHE 15 Ca -0.00 0.51 0.26 0.00 0.12 0.00 0.00 56.93 57.83 4azu s PHE 15 Cb -0.04 -1.99 0.77 0.00 -0.57 0.00 0.00 43.02 41.19 4azu s PHE 15 CO -0.00 0.34 1.67 0.27 -0.10 0.00 0.00 175.22 177.40 4azu n ASN 16 N -0.45 0.56 -4.27 1.36 6.94 -0.59 -4.80 115.26 114.01 4azu n ASN 16 Ca -0.03 0.36 -0.15 0.00 -0.02 0.00 0.00 54.58 54.74 4azu n ASN 16 Cb 0.53 -0.39 -0.10 0.00 -2.36 0.00 0.00 39.78 37.46 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 -3.08 1.30 -0.00 5.53 -1.32 -1.26 -5.02 115.64 111.79 4azu s THR 17 Ca 0.10 -2.07 0.00 0.00 -1.21 0.00 0.00 61.69 58.52 4azu s THR 17 Cb 0.15 -1.87 0.00 0.00 -1.51 0.00 0.00 72.50 69.28 4azu s THR 17 CO 0.62 -0.69 0.73 -0.46 -2.21 0.00 0.00 174.62 172.61 4azu n ASN 18 N -0.19 0.88 -3.70 8.08 0.23 -1.26 -4.86 115.26 114.45 4azu n ASN 18 Ca -0.10 -1.47 -0.12 0.00 -0.53 0.00 0.00 54.58 52.36 4azu n ASN 18 Cb 0.60 -0.01 -0.12 0.00 -2.08 0.00 0.00 39.78 38.17 4azu n ASN 18 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 4azu s ALA 19 N -0.46 -0.76 -0.07 -2.53 0.00 -1.26 -1.98 121.76 114.70 4azu s ALA 19 Ca 0.00 1.18 0.05 0.00 0.00 0.00 0.00 51.96 53.20 4azu s ALA 19 Cb 0.00 -0.88 -0.01 0.00 0.00 0.00 0.00 23.12 22.23 4azu s ALA 19 CO 0.00 -0.39 -0.24 0.42 0.00 0.00 0.00 175.76 175.56 4azu s ILE 20 N 1.73 2.15 -0.16 0.00 1.01 0.04 -4.96 121.20 121.02 4azu s ILE 20 Ca -0.06 -1.02 -0.01 0.00 0.00 0.00 0.00 60.65 59.56 4azu s ILE 20 Cb -0.10 -1.80 -0.01 0.00 0.01 0.00 0.00 42.46 40.56 4azu s ILE 20 CO -0.10 0.57 -0.11 -0.89 0.00 0.00 0.00 174.94 174.40 4azu s THR 21 N 0.00 3.08 -0.15 2.92 2.01 -1.26 -0.69 115.64 121.55 4azu s THR 21 Ca -0.08 -0.63 -0.02 0.00 0.31 0.00 0.00 61.69 61.27 4azu s THR 21 Cb -0.15 -2.33 -0.02 0.00 0.01 0.00 0.00 72.50 70.02 4azu s THR 21 CO 0.05 0.50 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.70 4azu s VAL 22 N 0.72 3.31 0.14 3.82 1.01 0.53 -4.95 120.40 124.98 4azu s VAL 22 Ca -0.05 -0.56 -0.24 0.00 0.00 0.00 0.00 61.98 61.13 4azu s VAL 22 Cb -0.15 -2.43 -0.08 0.00 0.00 0.00 0.00 36.38 33.73 4azu s VAL 22 CO 0.02 0.50 0.73 -0.62 0.00 0.00 0.00 175.10 175.74 4azu s ASP 23 N 0.50 7.31 0.51 3.32 2.15 -1.26 -1.02 116.67 128.18 4azu s ASP 23 Ca -0.07 1.55 0.20 0.00 0.43 0.00 0.00 52.55 54.66 4azu s ASP 23 Cb -0.15 -2.47 1.28 0.00 -0.30 0.00 0.00 42.92 41.28 4azu s ASP 23 CO 0.04 0.21 2.05 0.11 -0.17 0.00 0.00 175.17 177.41 4azu h LYS 24 N 4.48 0.07 0.00 4.34 1.57 -1.16 -1.49 116.57 124.37 4azu h LYS 24 Ca -0.47 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 4azu h LYS 24 Cb 1.21 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.50 4azu h LYS 24 CO 0.66 0.04 0.00 0.77 -0.57 0.00 0.00 179.45 180.35 4azu h SER 25 N 0.07 0.00 -3.18 0.86 0.02 -1.93 -3.42 113.55 105.96 4azu h SER 25 Ca 0.16 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.57 4azu h SER 25 Cb 0.53 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 4azu h SER 25 CO -0.01 0.00 0.58 0.00 -1.14 0.00 0.00 176.83 176.26 4azu h LYS 27 N 7.00 0.63 -4.56 0.00 6.56 -1.89 -3.42 116.57 120.89 4azu h LYS 27 Ca -0.39 -0.38 -0.20 0.00 -1.06 0.00 0.00 60.65 58.61 4azu h LYS 27 Cb 1.20 0.04 -0.15 0.00 -0.57 0.00 0.00 32.23 32.75 4azu h LYS 27 CO 0.82 0.99 -0.69 -0.65 -2.06 0.00 0.00 179.45 177.87 4azu s GLN 28 N -4.07 0.82 -0.00 3.15 -0.21 -1.26 -1.45 119.66 116.63 4azu s GLN 28 Ca -0.08 -1.34 0.00 0.00 0.02 0.00 0.00 55.36 53.97 4azu s GLN 28 Cb 0.11 -0.09 -0.00 0.00 1.00 0.00 0.00 33.01 34.03 4azu s GLN 28 CO 0.85 -0.07 -0.02 0.12 -2.12 0.00 0.00 175.29 174.06 4azu s PHE 29 N -3.72 0.14 -0.07 0.91 5.36 -0.67 -4.84 117.98 115.09 4azu s PHE 29 Ca 0.13 -0.03 0.05 0.00 -0.96 0.00 0.00 56.93 56.12 4azu s PHE 29 Cb 0.06 -0.09 -0.01 0.00 -0.34 0.00 0.00 43.02 42.63 4azu s PHE 29 CO -0.05 -0.00 -0.21 0.99 -1.46 0.00 0.00 175.22 174.49 4azu s THR 30 N -0.03 2.38 -0.18 0.12 2.01 -0.70 -1.45 115.64 117.79 4azu s THR 30 Ca 0.01 -0.95 -0.02 0.00 0.31 0.00 0.00 61.69 61.04 4azu s THR 30 Cb -0.01 -1.90 -0.00 0.00 0.01 0.00 0.00 72.50 70.60 4azu s THR 30 CO -0.00 0.57 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.70 4azu s VAL 31 N -0.16 2.96 -0.31 3.82 1.01 -0.10 -1.10 120.40 126.51 4azu s VAL 31 Ca -0.03 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 4azu s VAL 31 Cb -0.14 -2.29 0.02 0.00 0.00 0.00 0.00 36.38 33.97 4azu s VAL 31 CO 0.04 0.48 0.08 0.20 0.00 0.00 0.00 175.10 175.90 4azu s ASN 32 N 1.09 5.13 -0.13 3.32 0.01 0.21 -1.53 114.94 123.04 4azu s ASN 32 Ca 0.00 -0.87 -0.07 0.00 -0.71 0.00 0.00 52.86 51.22 4azu s ASN 32 Cb -0.15 -1.86 -0.04 0.00 0.41 0.00 0.00 41.25 39.61 4azu s ASN 32 CO -0.03 -0.23 0.10 -0.22 -1.51 0.00 0.00 177.10 175.22 4azu s LEU 33 N 1.45 4.15 0.14 0.60 2.96 0.44 -0.66 118.68 127.76 4azu s LEU 33 Ca 0.01 0.33 0.03 0.00 -0.22 0.00 0.00 54.13 54.28 4azu s LEU 33 Cb -0.18 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 4azu s LEU 33 CO 0.02 0.34 -0.07 -0.94 -1.32 0.00 0.00 176.35 174.38 4azu s SER 34 N -0.63 1.49 -0.43 3.68 1.04 -0.40 -1.89 113.70 116.57 4azu s SER 34 Ca 0.12 -1.04 0.02 0.00 0.48 0.00 0.00 55.95 55.54 4azu s SER 34 Cb -0.12 0.04 0.13 0.00 0.10 0.00 0.00 66.02 66.17 4azu s SER 34 CO 0.02 -0.42 0.21 -2.28 0.98 0.00 0.00 173.24 171.76 4azu s HIS 35 N -3.48 2.36 0.59 5.02 2.46 -1.19 -1.35 115.29 119.70 4azu s HIS 35 Ca 0.16 -2.56 -0.20 0.00 0.47 0.00 0.00 55.06 52.93 4azu s HIS 35 Cb 0.04 -2.16 -0.04 0.00 -0.13 0.00 0.00 32.58 30.29 4azu s HIS 35 CO -0.01 -0.80 1.27 -0.35 -2.47 0.00 0.00 174.74 172.38 4azu n PRO 36 N 3.66 1.37 0.00 2.88 -0.04 -1.24 -1.16 135.00 140.47 4azu n PRO 36 Ca 0.06 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 64.04 4azu n PRO 36 Cb 0.35 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 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 0.91 0.62 0.00 0.55 0.00 -1.26 -3.81 105.19 102.20 4azu n GLY 37 Ca 0.13 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.94 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 0.04 0.14 -4.80 1.61 4.13 -1.26 -4.47 115.26 110.65 4azu n ASN 38 Ca 0.00 -1.02 -0.38 0.00 1.68 0.00 0.00 54.58 54.87 4azu n ASN 38 Cb 0.00 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.18 4azu n ASN 38 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 4azu s LEU 39 N -0.02 4.49 0.99 3.41 1.43 -1.26 -4.88 118.68 122.85 4azu s LEU 39 Ca 0.00 1.40 -0.12 0.00 -1.03 0.00 0.00 54.13 54.38 4azu s LEU 39 Cb 0.00 -3.21 0.18 0.00 0.03 0.00 0.00 46.19 43.19 4azu s LEU 39 CO 0.00 0.18 1.09 -2.16 0.23 0.00 0.00 176.35 175.69 4azu s PRO 40 N -1.41 0.48 0.22 1.29 0.04 -1.26 -2.07 135.00 132.29 4azu s PRO 40 Ca 0.35 0.61 -0.09 0.00 0.04 0.00 0.00 61.00 61.92 4azu s PRO 40 Cb -0.19 -1.73 0.23 0.00 0.04 0.00 0.00 34.50 32.84 4azu s PRO 40 CO 0.22 -2.72 1.85 -0.22 0.04 0.00 0.00 177.00 176.17 4azu h LYS 41 N -1.89 0.89 0.00 4.56 3.64 -1.86 -0.60 116.57 121.31 4azu h LYS 41 Ca -0.54 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.79 4azu h LYS 41 Cb 1.32 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 4azu h LYS 41 CO 0.56 0.59 0.00 -2.95 -2.27 0.00 0.00 179.45 175.38 4azu h ASN 42 N 0.92 0.00 0.00 4.20 -1.07 -1.96 0.15 115.58 117.81 4azu h ASN 42 Ca 0.31 0.00 -0.35 0.00 0.07 0.00 0.00 56.30 56.33 4azu h ASN 42 Cb 0.05 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.24 4azu h ASN 42 CO -0.12 0.00 -2.30 0.52 0.07 0.00 0.00 177.43 175.60 4azu n VAL 43 N -2.66 1.30 -2.81 6.14 0.31 -0.98 -4.78 118.33 114.85 4azu n VAL 43 Ca 0.01 -0.47 -0.00 0.00 -0.01 0.00 0.00 64.34 63.86 4azu n VAL 43 Cb 0.23 -1.38 0.05 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 -3.30 1.72 -1.93 5.55 0.00 -0.27 -5.04 117.12 113.85 4azu n MET 44 Ca -0.41 -3.48 -0.38 0.00 0.00 0.00 0.00 57.70 53.43 4azu n MET 44 Cb 0.91 -1.58 0.03 0.00 0.00 0.00 0.00 33.22 32.59 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 -3.75 2.84 0.03 -5.12 0.00 0.51 -4.78 107.32 97.04 4azu s GLY 45 Ca 0.28 1.19 0.02 0.00 0.00 0.00 0.00 44.72 46.21 4azu s GLY 45 CO -0.04 1.67 -0.08 0.30 0.00 0.00 0.00 173.10 174.95 4azu s HIS 46 N -1.40 0.65 0.19 1.90 3.76 -0.19 -4.68 115.29 115.52 4azu s HIS 46 Ca 0.71 -0.34 0.01 0.00 -0.15 0.00 0.00 55.06 55.28 4azu s HIS 46 Cb -0.36 -0.40 -0.05 0.00 1.11 0.00 0.00 32.58 32.89 4azu s HIS 46 CO 0.42 -0.05 0.06 0.54 -0.85 0.00 0.00 174.74 174.87 4azu s ASN 47 N -1.03 0.85 -0.19 1.40 2.20 -1.26 -0.28 114.94 116.62 4azu s ASN 47 Ca -0.05 -1.27 -0.01 0.00 -0.94 0.00 0.00 52.86 50.60 4azu s ASN 47 Cb -0.07 0.21 0.01 0.00 -2.00 0.00 0.00 41.25 39.40 4azu s ASN 47 CO 0.00 -0.69 -0.15 0.86 -2.94 0.00 0.00 177.10 174.19 4azu s TRP 48 N -3.85 2.84 -0.04 1.54 -0.00 -1.26 -4.07 118.94 114.11 4azu s TRP 48 Ca 0.30 -1.39 0.06 0.00 -0.00 0.00 0.00 56.10 55.07 4azu s TRP 48 Cb 0.07 -1.98 -0.01 0.00 -0.00 0.00 0.00 33.47 31.55 4azu s TRP 48 CO 0.07 -0.71 -0.21 0.08 -0.00 0.00 0.00 176.95 176.18 4azu s VAL 49 N 1.34 1.75 -0.10 5.86 1.01 0.30 -1.44 120.40 129.12 4azu s VAL 49 Ca 0.05 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.14 4azu s VAL 49 Cb -0.13 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 4azu s VAL 49 CO -0.09 0.49 -0.19 -0.22 0.00 0.00 0.00 175.10 175.09 4azu s LEU 50 N -0.21 2.38 0.34 3.92 2.96 -0.33 -0.91 118.68 126.83 4azu s LEU 50 Ca 0.00 -0.43 -0.02 0.00 -0.22 0.00 0.00 54.13 53.46 4azu s LEU 50 Cb -0.11 -1.49 0.00 0.00 0.50 0.00 0.00 46.19 45.09 4azu s LEU 50 CO 0.02 0.19 0.47 -0.94 -1.32 0.00 0.00 176.35 174.76 4azu s SER 51 N 0.17 0.95 0.76 3.68 1.04 -0.95 -0.82 113.70 118.53 4azu s SER 51 Ca -0.11 -1.50 -0.11 0.00 0.48 0.00 0.00 55.95 54.71 4azu s SER 51 Cb -0.16 0.66 0.05 0.00 0.10 0.00 0.00 66.02 66.67 4azu s SER 51 CO 0.06 -1.29 1.08 0.42 0.98 0.00 0.00 173.24 174.50 4azu s THR 52 N -3.08 3.46 0.36 2.02 -4.23 -1.26 -1.49 115.64 111.42 4azu s THR 52 Ca 0.31 0.47 0.06 0.00 -1.18 0.00 0.00 61.69 61.35 4azu s THR 52 Cb -0.00 -3.19 0.18 0.00 1.34 0.00 0.00 72.50 70.83 4azu s THR 52 CO 0.21 -0.62 1.92 0.00 -0.54 0.00 0.00 174.62 175.59 4azu h ALA 53 N -0.96 1.47 -0.21 3.99 0.00 -1.31 -2.00 119.26 120.23 4azu h ALA 53 Ca -0.46 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.25 4azu h ALA 53 Cb 1.24 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 4azu h ALA 53 CO 0.58 0.39 -0.07 0.00 0.00 0.00 0.00 179.25 180.15 4azu h ALA 54 N 1.58 1.50 0.00 0.00 0.00 -1.92 -3.16 119.26 117.26 4azu h ALA 54 Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.83 4azu h ALA 54 Cb 0.25 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.93 4azu h ALA 54 CO 0.00 0.36 -0.78 -0.25 0.00 0.00 0.00 179.25 178.58 4azu n ASP 55 N -4.30 0.64 -0.20 0.00 8.00 -0.78 -4.52 116.55 115.39 4azu n ASP 55 Ca 0.00 -0.06 -0.03 0.00 0.71 0.00 0.00 54.79 55.42 4azu n ASP 55 Cb 0.24 0.44 0.04 0.00 -0.02 0.00 0.00 41.12 41.82 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 -0.08 -0.39 -1.24 1.85 -1.45 -1.63 114.93 111.98 4azu h MET 56 Ca 0.00 0.01 0.02 0.00 -0.61 0.00 0.00 59.70 59.11 4azu h MET 56 Cb 0.71 0.02 -0.03 0.00 0.43 0.00 0.00 31.60 32.74 4azu h MET 56 CO 0.00 -0.06 0.23 0.37 -0.40 0.00 0.00 176.91 177.06 4azu h GLN 57 N -0.09 0.46 -0.81 0.39 5.75 -1.81 0.05 115.11 119.05 4azu h GLN 57 Ca 0.27 -0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.77 4azu h GLN 57 Cb 0.51 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 28.91 4azu h GLN 57 CO -0.66 0.31 0.52 0.78 -2.65 0.00 0.00 178.83 177.13 4azu h GLY 58 N 0.48 1.18 0.97 2.39 0.00 -1.69 0.05 103.07 106.44 4azu h GLY 58 Ca 0.15 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 4azu h GLY 58 CO -0.07 0.35 0.19 -2.08 0.00 0.00 0.00 176.54 174.93 4azu h VAL 59 N 1.03 1.21 0.07 4.60 2.07 -0.70 -1.91 116.25 122.62 4azu h VAL 59 Ca 0.32 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 4azu h VAL 59 Cb -0.01 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 4azu h VAL 59 CO -0.11 0.25 -0.03 0.58 0.02 0.00 0.00 177.57 178.28 4azu h VAL 60 N 0.64 1.14 -0.11 2.57 2.07 -0.51 -0.41 116.25 121.65 4azu h VAL 60 Ca 0.16 -0.76 0.03 0.00 0.82 0.00 0.00 66.70 66.95 4azu h VAL 60 Cb 0.20 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 4azu h VAL 60 CO -0.01 0.19 -0.08 0.74 0.02 0.00 0.00 177.57 178.43 4azu h THR 61 N -0.44 0.76 0.00 2.57 2.02 -1.00 -1.88 112.91 114.94 4azu h THR 61 Ca -0.01 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.10 4azu h THR 61 Cb 0.38 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 4azu h THR 61 CO 0.02 0.00 -0.35 0.44 0.37 0.00 0.00 175.52 176.00 4azu h ASP 62 N -0.09 0.00 -0.28 4.18 3.32 -1.36 -2.57 116.42 119.62 4azu h ASP 62 Ca 0.07 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 4azu h ASP 62 Cb 0.19 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 4azu h ASP 62 CO -0.16 0.35 -0.09 1.23 -1.72 0.00 0.00 179.24 178.85 4azu h GLY 63 N 1.72 0.61 0.74 2.75 0.00 -0.78 -2.47 103.07 105.64 4azu h GLY 63 Ca -0.00 -0.52 0.05 0.00 0.00 0.00 0.00 47.33 46.87 4azu h GLY 63 CO 0.05 0.47 0.48 1.98 0.00 0.00 0.00 176.54 179.51 4azu h MET 64 N 0.31 0.86 0.00 4.80 1.85 -1.11 0.14 114.93 121.78 4azu h MET 64 Ca 0.07 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.11 4azu h MET 64 Cb 0.58 -0.19 0.00 0.00 0.43 0.00 0.00 31.60 32.42 4azu h MET 64 CO 0.03 0.57 0.00 0.00 -0.40 0.00 0.00 176.91 177.11 4azu h ALA 65 N 1.37 1.00 0.00 0.39 0.00 -1.34 -3.24 119.26 117.44 4azu h ALA 65 Ca 0.34 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 4azu h ALA 65 Cb 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 4azu h ALA 65 CO -0.16 0.00 -0.17 0.77 0.00 0.00 0.00 179.25 179.69 4azu h SER 66 N 0.00 0.00 -4.96 0.00 0.02 -0.48 -3.50 113.55 104.63 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 0.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.91 4azu h SER 66 CO 0.00 0.17 0.00 0.61 -1.14 0.00 0.00 176.83 176.47 4azu n GLY 67 N 0.94 1.69 0.29 -3.77 0.00 -1.23 -4.20 105.19 98.92 4azu n GLY 67 Ca 0.03 -1.92 -0.11 0.00 0.00 0.00 0.00 46.02 44.02 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 1.01 -2.19 0.99 5.85 -1.93 -1.71 115.31 117.33 4azu h LEU 68 Ca 0.00 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 4azu h LEU 68 Cb 0.00 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.75 4azu h LEU 68 CO 0.00 1.13 -0.04 -2.24 -0.34 0.00 0.00 178.44 176.95 4azu h ASP 69 N 0.87 0.00 -0.58 1.25 2.03 -2.02 -0.03 116.42 117.93 4azu h ASP 69 Ca 0.13 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.43 4azu h ASP 69 Cb 0.69 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.19 4azu h ASP 69 CO 0.05 0.04 0.00 0.29 -1.03 0.00 0.00 179.24 178.59 4azu n LYS 70 N -3.31 4.05 -2.47 4.15 4.76 -0.88 -4.93 118.16 119.53 4azu n LYS 70 Ca -0.02 -2.80 -0.16 0.00 -2.87 0.00 0.00 58.31 52.46 4azu n LYS 70 Cb 0.19 -2.02 -0.01 0.00 -1.84 0.00 0.00 35.03 31.35 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 0.85 -4.71 -4.10 4.39 9.92 -0.03 -2.71 116.55 120.16 4azu n ASP 71 Ca 0.25 0.09 -0.33 0.00 -0.53 0.00 0.00 54.79 54.27 4azu n ASP 71 Cb 0.98 -3.95 -0.01 0.00 -0.64 0.00 0.00 41.12 37.49 4azu n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 4azu n TYR 72 N -3.67 -1.85 -3.77 1.24 4.01 -0.70 -4.71 117.16 107.71 4azu n TYR 72 Ca -0.18 0.81 -0.15 0.00 -0.16 0.00 0.00 57.90 58.23 4azu n TYR 72 Cb 0.64 -3.34 -0.16 0.00 -0.31 0.00 0.00 39.34 36.17 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 1.08 0.09 7.72 1.43 -1.10 -4.16 118.68 116.53 4azu s LEU 73 Ca 0.58 0.07 -0.31 0.00 -1.03 0.00 0.00 54.13 53.44 4azu s LEU 73 Cb -0.31 -0.01 -0.09 0.00 0.03 0.00 0.00 46.19 45.81 4azu s LEU 73 CO 0.90 -0.12 1.65 -0.75 0.23 0.00 0.00 176.35 178.26 4azu s LYS 74 N 1.03 4.20 0.30 1.70 2.20 -1.26 -4.88 119.74 123.02 4azu s LYS 74 Ca -0.08 2.35 -0.29 0.00 -0.36 0.00 0.00 55.97 57.58 4azu s LYS 74 Cb -0.12 -3.54 -0.11 0.00 -1.51 0.00 0.00 37.83 32.56 4azu s LYS 74 CO -0.03 -0.72 1.49 -2.14 -0.36 0.00 0.00 175.35 173.58 4azu s PRO 75 N 2.44 4.19 -1.45 4.03 0.02 -1.26 -2.49 135.00 140.48 4azu s PRO 75 Ca 0.74 2.45 -0.07 0.00 0.02 0.00 0.00 61.00 64.14 4azu s PRO 75 Cb -0.41 -3.04 0.03 0.00 0.02 0.00 0.00 34.50 31.10 4azu s PRO 75 CO 0.32 -0.49 0.62 -0.25 -0.33 0.00 0.00 177.00 176.87 4azu n ASP 76 N 1.68 -5.25 -4.68 2.53 8.00 -1.26 -4.90 116.55 112.67 4azu n ASP 76 Ca 0.05 -0.36 -0.42 0.00 0.71 0.00 0.00 54.79 54.76 4azu n ASP 76 Cb 0.39 -4.25 -0.03 0.00 -0.02 0.00 0.00 41.12 37.21 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 -2.78 6.67 0.42 -2.24 -1.08 -1.04 -4.87 116.67 111.76 4azu s ASP 77 Ca 0.37 2.32 0.28 0.00 -0.52 0.00 0.00 52.55 55.01 4azu s ASP 77 Cb -0.18 -2.55 0.94 0.00 -1.46 0.00 0.00 42.92 39.67 4azu s ASP 77 CO 0.46 -0.87 1.81 0.77 0.52 0.00 0.00 175.17 177.86 4azu h SER 78 N 8.73 0.00 1.02 -0.34 4.64 -1.91 -2.93 113.55 122.75 4azu h SER 78 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 4azu h SER 78 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 4azu h SER 78 CO 0.93 0.00 -0.20 0.54 -0.87 0.00 0.00 176.83 177.24 4azu n ARG 79 N -2.83 0.12 -2.98 4.77 1.74 -1.26 -4.78 116.66 111.43 4azu n ARG 79 Ca 0.02 0.07 -0.42 0.00 -0.77 0.00 0.00 57.85 56.76 4azu n ARG 79 Cb 0.37 -1.61 -0.05 0.00 -1.02 0.00 0.00 32.46 30.14 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 -3.06 4.85 0.04 1.55 1.01 -1.11 -4.48 120.40 119.21 4azu s VAL 80 Ca 0.11 1.20 -0.16 0.00 0.00 0.00 0.00 61.98 63.13 4azu s VAL 80 Cb 0.16 -4.09 -0.28 0.00 0.00 0.00 0.00 36.38 32.17 4azu s VAL 80 CO 0.61 -0.16 1.09 0.40 0.00 0.00 0.00 175.10 177.04 4azu h ILE 81 N 5.54 1.31 -2.53 2.22 2.04 -1.28 -3.48 117.51 121.33 4azu h ILE 81 Ca -0.25 -2.41 -0.04 0.00 1.00 0.00 0.00 64.86 63.16 4azu h ILE 81 Cb 1.10 2.70 -0.16 0.00 -0.74 0.00 0.00 36.82 39.73 4azu h ILE 81 CO 0.85 0.73 0.17 0.00 0.00 0.00 0.00 178.15 179.90 4azu s ALA 82 N -2.99 -1.63 0.07 1.87 0.00 -1.24 -5.01 121.76 112.83 4azu s ALA 82 Ca -0.10 0.87 -0.26 0.00 0.00 0.00 0.00 51.96 52.46 4azu s ALA 82 Cb 0.05 0.42 0.08 0.00 0.00 0.00 0.00 23.12 23.67 4azu s ALA 82 CO 0.91 -0.55 0.70 -3.38 0.00 0.00 0.00 175.76 173.44 4azu s HIS 83 N -2.42 -0.51 0.62 0.00 -3.43 -1.26 -1.19 115.29 107.10 4azu s HIS 83 Ca -0.05 0.46 0.07 0.00 -0.80 0.00 0.00 55.06 54.73 4azu s HIS 83 Cb -0.01 0.52 0.10 0.00 -1.43 0.00 0.00 32.58 31.77 4azu s HIS 83 CO -0.01 -0.71 0.85 0.95 -2.00 0.00 0.00 174.74 173.82 4azu s THR 84 N -3.02 2.12 0.96 -5.38 -4.23 -0.52 -4.83 115.64 100.73 4azu s THR 84 Ca -0.00 -0.89 -0.13 0.00 -1.18 0.00 0.00 61.69 59.48 4azu s THR 84 Cb -0.01 -2.22 0.17 0.00 1.34 0.00 0.00 72.50 71.77 4azu s THR 84 CO -0.07 0.00 1.14 -0.54 -0.54 0.00 0.00 174.62 174.61 4azu s LYS 85 N -4.81 0.75 -0.18 3.99 -0.14 -1.26 -4.67 119.74 113.42 4azu s LYS 85 Ca 0.63 0.23 -0.21 0.00 -1.36 0.00 0.00 55.97 55.26 4azu s LYS 85 Cb -0.05 -1.80 -0.03 0.00 -1.68 0.00 0.00 37.83 34.27 4azu s LYS 85 CO 0.41 -2.45 0.63 -1.17 -0.76 0.00 0.00 175.35 172.00 4azu s LEU 86 N -6.18 4.17 0.07 3.17 2.96 -1.26 -4.36 118.68 117.25 4azu s LEU 86 Ca 0.65 0.87 0.09 0.00 -0.22 0.00 0.00 54.13 55.53 4azu s LEU 86 Cb -0.14 -2.90 -0.03 0.00 0.50 0.00 0.00 46.19 43.62 4azu s LEU 86 CO 0.54 -0.23 -0.25 0.27 -1.32 0.00 0.00 176.35 175.35 4azu s ILE 87 N 1.68 2.25 0.72 6.68 -4.36 0.61 -4.87 121.20 123.92 4azu s ILE 87 Ca 0.29 -1.46 -0.00 0.00 -0.26 0.00 0.00 60.65 59.22 4azu s ILE 87 Cb -0.16 -1.92 0.14 0.00 1.25 0.00 0.00 42.46 41.78 4azu s ILE 87 CO 0.11 0.29 0.99 0.61 0.24 0.00 0.00 174.94 177.19 4azu n GLY 88 N 1.53 0.67 3.76 6.27 0.00 -1.26 -1.02 105.19 115.13 4azu n GLY 88 Ca -0.17 -2.03 -0.36 0.00 0.00 0.00 0.00 46.02 43.45 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 -5.04 5.33 0.00 1.61 1.04 -0.88 -2.61 113.70 113.15 4azu s SER 89 Ca 0.66 2.42 0.00 0.00 0.48 0.00 0.00 55.95 59.51 4azu s SER 89 Cb -0.04 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.48 4azu s SER 89 CO 0.44 -1.50 0.00 0.61 0.98 0.00 0.00 173.24 173.76 4azu n GLY 90 N 0.52 1.35 3.95 7.32 0.00 -0.31 -4.97 105.19 113.06 4azu n GLY 90 Ca 0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.09 2.82 0.01 1.61 2.02 -1.07 -4.97 118.70 119.02 4azu s GLU 91 Ca 0.00 -1.26 -0.02 0.00 0.02 0.00 0.00 54.97 53.71 4azu s GLU 91 Cb 0.00 -2.64 -0.01 0.00 0.10 0.00 0.00 34.13 31.58 4azu s GLU 91 CO 0.00 -0.10 0.04 0.21 0.02 0.00 0.00 175.26 175.42 4azu s LYS 92 N -4.19 0.29 -0.03 1.61 2.47 -1.26 -3.15 119.74 115.48 4azu s LYS 92 Ca 0.48 -0.38 -0.24 0.00 -1.56 0.00 0.00 55.97 54.28 4azu s LYS 92 Cb -0.08 0.11 0.05 0.00 -1.46 0.00 0.00 37.83 36.46 4azu s LYS 92 CO 0.30 -0.06 0.52 0.34 0.16 0.00 0.00 175.35 176.62 4azu s ASP 93 N -1.06 -0.46 0.19 1.43 2.15 -0.79 -5.03 116.67 113.10 4azu s ASP 93 Ca -0.12 0.42 0.04 0.00 0.43 0.00 0.00 52.55 53.33 4azu s ASP 93 Cb -0.07 0.45 -0.05 0.00 -0.30 0.00 0.00 42.92 42.95 4azu s ASP 93 CO -0.00 -0.56 -0.06 -0.44 -0.17 0.00 0.00 175.17 173.94 4azu s SER 94 N -1.31 1.88 -0.06 -0.34 0.01 -1.26 -0.42 113.70 112.20 4azu s SER 94 Ca -0.12 -1.11 -0.05 0.00 1.31 0.00 0.00 55.95 55.99 4azu s SER 94 Cb -0.02 -0.01 0.02 0.00 0.21 0.00 0.00 66.02 66.22 4azu s SER 94 CO 0.07 -0.40 0.15 0.54 0.41 0.00 0.00 173.24 174.00 4azu s VAL 95 N -3.34 -0.01 -0.14 3.43 0.11 -0.58 -4.86 120.40 115.02 4azu s VAL 95 Ca 0.23 0.03 0.01 0.00 -2.93 0.00 0.00 61.98 59.32 4azu s VAL 95 Cb 0.04 -0.22 -0.00 0.00 -1.53 0.00 0.00 36.38 34.66 4azu s VAL 95 CO 0.05 0.01 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.77 4azu s THR 96 N 0.27 2.58 0.13 5.04 2.01 -1.26 -0.92 115.64 123.49 4azu s THR 96 Ca -0.02 -0.81 0.05 0.00 0.31 0.00 0.00 61.69 61.22 4azu s THR 96 Cb -0.03 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 4azu s THR 96 CO -0.01 0.53 -0.11 0.72 -0.69 0.00 0.00 174.62 175.06 4azu s PHE 97 N 0.60 1.24 0.11 4.92 -0.71 -0.53 -4.96 117.98 118.64 4azu s PHE 97 Ca -0.10 -0.67 -0.30 0.00 -1.04 0.00 0.00 56.93 54.82 4azu s PHE 97 Cb -0.16 -0.64 -0.06 0.00 -1.21 0.00 0.00 43.02 40.95 4azu s PHE 97 CO 0.03 0.07 1.06 -0.51 -1.34 0.00 0.00 175.22 174.53 4azu s ASP 98 N -2.76 7.32 0.23 1.98 1.01 -1.26 -1.68 116.67 121.50 4azu s ASP 98 Ca 0.11 1.91 0.23 0.00 0.71 0.00 0.00 52.55 55.52 4azu s ASP 98 Cb -0.01 -2.59 0.94 0.00 1.01 0.00 0.00 42.92 42.27 4azu s ASP 98 CO 0.01 -0.23 1.70 0.52 0.21 0.00 0.00 175.17 177.38 4azu n VAL 99 N 3.05 0.80 0.31 -1.27 0.31 -0.53 -2.19 118.33 118.81 4azu n VAL 99 Ca 0.04 0.17 0.16 0.00 -0.01 0.00 0.00 64.34 64.70 4azu n VAL 99 Cb 0.48 -1.08 0.72 0.00 -0.91 0.00 0.00 33.84 33.05 4azu n VAL 99 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 4azu h SER 100 N 0.00 0.00 0.45 4.52 4.64 -1.90 -2.06 113.55 119.20 4azu h SER 100 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 4azu h SER 100 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 4azu h SER 100 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 4azu n LYS 101 N -2.74 0.26 -4.09 4.77 5.02 -0.93 -4.74 118.16 115.70 4azu n LYS 101 Ca 0.00 0.09 -0.30 0.00 -2.02 0.00 0.00 58.31 56.08 4azu n LYS 101 Cb 0.21 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.65 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 -2.63 3.61 0.08 -0.35 1.43 -0.77 -5.11 118.68 114.93 4azu s LEU 102 Ca 0.19 -0.11 0.08 0.00 -1.03 0.00 0.00 54.13 53.25 4azu s LEU 102 Cb 0.14 -2.32 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 4azu s LEU 102 CO 0.33 0.17 -0.21 -0.75 0.23 0.00 0.00 176.35 176.12 4azu s LYS 103 N -2.37 1.28 0.18 1.70 2.20 -1.26 -5.05 119.74 116.41 4azu s LYS 103 Ca 0.27 -1.07 -0.32 0.00 -0.36 0.00 0.00 55.97 54.50 4azu s LYS 103 Cb -0.12 -1.49 -0.11 0.00 -1.51 0.00 0.00 37.83 34.61 4azu s LYS 103 CO 0.20 0.36 1.63 -2.00 -0.36 0.00 0.00 175.35 175.18 4azu s GLU 104 N -1.57 4.18 -0.19 4.03 2.56 -1.26 -3.04 118.70 123.41 4azu s GLU 104 Ca 0.07 2.46 0.00 0.00 0.00 0.00 0.00 54.97 57.51 4azu s GLU 104 Cb -0.09 -3.12 0.00 0.00 2.00 0.00 0.00 34.13 32.92 4azu s GLU 104 CO 0.03 -0.67 0.00 0.41 -0.56 0.00 0.00 175.26 174.48 4azu n GLY 105 N 3.82 0.53 3.64 -1.50 0.00 -1.26 -5.03 105.19 105.39 4azu n GLY 105 Ca 0.15 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.87 2.82 -0.09 1.61 2.12 -1.17 -5.10 118.70 117.03 4azu s GLU 106 Ca 0.00 -0.53 -0.20 0.00 0.36 0.00 0.00 54.97 54.60 4azu s GLU 106 Cb 0.00 -2.67 -0.04 0.00 0.26 0.00 0.00 34.13 31.68 4azu s GLU 106 CO 0.00 0.66 0.56 -0.65 -0.54 0.00 0.00 175.26 175.29 4azu s GLN 107 N -1.06 4.37 0.11 4.30 -0.21 -1.26 -4.88 119.66 121.02 4azu s GLN 107 Ca 0.15 0.62 0.10 0.00 0.02 0.00 0.00 55.36 56.24 4azu s GLN 107 Cb -0.11 -3.43 -0.04 0.00 1.00 0.00 0.00 33.01 30.43 4azu s GLN 107 CO 0.04 0.15 -0.23 0.71 -2.12 0.00 0.00 175.29 173.84 4azu s TYR 108 N 0.60 2.42 -0.03 0.91 2.02 -1.23 -0.91 117.35 121.13 4azu s TYR 108 Ca 0.30 -0.33 0.05 0.00 -0.37 0.00 0.00 57.07 56.72 4azu s TYR 108 Cb -0.16 -1.31 -0.01 0.00 -0.40 0.00 0.00 41.96 40.08 4azu s TYR 108 CO 0.13 0.33 -0.17 -1.64 -1.57 0.00 0.00 175.55 172.63 4azu s MET 109 N -1.98 1.63 0.10 -0.62 -1.94 -0.56 -1.31 119.30 114.63 4azu s MET 109 Ca 0.15 -0.62 0.04 0.00 -1.71 0.00 0.00 55.69 53.56 4azu s MET 109 Cb -0.10 -1.48 -0.04 0.00 2.01 0.00 0.00 34.83 35.22 4azu s MET 109 CO 0.07 0.30 0.05 -0.59 -0.01 0.00 0.00 175.02 174.84 4azu s PHE 110 N -0.16 3.08 0.20 -0.03 -0.12 -0.21 -2.24 117.98 118.49 4azu s PHE 110 Ca 0.01 0.01 -0.24 0.00 -0.05 0.00 0.00 56.93 56.67 4azu s PHE 110 Cb -0.09 -1.56 0.05 0.00 -0.63 0.00 0.00 43.02 40.78 4azu s PHE 110 CO 0.01 0.50 0.88 -0.59 -0.05 0.00 0.00 175.22 175.97 4azu s PHE 111 N -1.40 -0.15 -0.12 3.49 -0.71 -0.08 -1.56 117.98 117.45 4azu s PHE 111 Ca 0.28 -0.21 -0.03 0.00 -1.04 0.00 0.00 56.93 55.92 4azu s PHE 111 Cb -0.12 0.66 -0.03 0.00 -1.21 0.00 0.00 43.02 42.32 4azu s PHE 111 CO 0.20 -0.97 0.00 0.00 -1.34 0.00 0.00 175.22 173.12 4azu n THR 113 N 2.78 0.52 -1.78 0.00 -2.24 -1.26 -3.09 114.28 109.21 4azu n THR 113 Ca -0.18 -0.76 -0.41 0.00 -2.27 0.00 0.00 64.05 60.43 4azu n THR 113 Cb 0.53 0.97 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 4azu n THR 113 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 4azu n PHE 114 N 1.46 3.00 -1.66 4.78 -0.00 -1.26 -4.54 117.46 119.23 4azu n PHE 114 Ca 0.19 0.44 -0.62 0.00 -0.00 0.00 0.00 57.45 57.47 4azu n PHE 114 Cb 0.60 -2.53 -0.09 0.00 -0.00 0.00 0.00 39.48 37.46 4azu n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 4azu n PRO 115 N 0.41 0.54 -0.04 -7.13 -0.02 -1.26 -1.34 135.00 126.17 4azu n PRO 115 Ca 0.01 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 4azu n PRO 115 Cb 0.39 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 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 4.62 2.37 0.07 -1.23 0.00 -1.26 -4.89 105.19 104.87 4azu n GLY 116 Ca 0.32 0.00 -0.06 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 -0.11 1.61 3.86 -1.48 -3.35 115.15 115.68 4azu h HIS 117 Ca 0.00 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 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 0.94 0.10 0.66 0.86 0.00 0.00 177.93 180.49 4azu h SER 118 N 0.00 0.00 0.11 2.45 4.64 -1.72 0.45 113.55 119.47 4azu h SER 118 Ca -0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 4azu h SER 118 Cb 1.67 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.76 4azu h SER 118 CO 0.12 0.00 -0.07 0.00 -0.87 0.00 0.00 176.83 176.01 4azu h ALA 119 N 1.90 1.67 0.00 5.18 0.00 -1.91 -3.15 119.26 122.96 4azu h ALA 119 Ca 0.05 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 4azu h ALA 119 Cb 0.25 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 4azu h ALA 119 CO -0.00 0.09 -1.55 1.28 0.00 0.00 0.00 179.25 179.06 4azu n LEU 120 N -4.14 0.00 -4.18 0.00 4.77 -0.43 -4.89 117.00 108.13 4azu n LEU 120 Ca -0.03 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.55 4azu n LEU 120 Cb 0.15 0.19 -0.07 0.00 -2.33 0.00 0.00 43.42 41.37 4azu n LEU 120 CO 0.32 0.19 0.19 -0.04 -1.33 0.00 0.00 177.39 176.72 4azu s MET 121 N -2.23 2.97 0.04 3.23 -1.94 0.14 -4.75 119.30 116.77 4azu s MET 121 Ca -0.04 -2.52 -0.27 0.00 -1.71 0.00 0.00 55.69 51.16 4azu s MET 121 Cb 0.03 -4.00 0.09 0.00 2.01 0.00 0.00 34.83 32.95 4azu s MET 121 CO 0.34 -1.22 0.75 -1.59 -0.01 0.00 0.00 175.02 173.29 4azu s LYS 122 N 0.01 1.02 0.21 2.03 0.00 -1.26 -2.15 119.74 119.60 4azu s LYS 122 Ca 0.17 -0.26 -0.21 0.00 0.00 0.00 0.00 55.97 55.67 4azu s LYS 122 Cb -0.16 0.47 0.07 0.00 0.00 0.00 0.00 37.83 38.21 4azu s LYS 122 CO -0.05 -0.42 0.99 0.20 0.00 0.00 0.00 175.35 176.06 4azu s GLY 123 N -2.32 0.12 0.03 0.59 0.00 -0.60 -4.80 107.32 100.33 4azu s GLY 123 Ca 0.01 -0.36 -0.04 0.00 0.00 0.00 0.00 44.72 44.33 4azu s GLY 123 CO -0.07 1.76 0.24 -0.51 0.00 0.00 0.00 173.10 174.52 4azu s THR 124 N -2.30 5.35 -0.10 0.90 -4.23 -0.84 -1.05 115.64 113.37 4azu s THR 124 Ca 0.20 -0.05 0.04 0.00 -1.18 0.00 0.00 61.69 60.70 4azu s THR 124 Cb -0.03 -3.57 -0.00 0.00 1.34 0.00 0.00 72.50 70.24 4azu s THR 124 CO 0.06 0.28 -0.23 -0.22 -0.54 0.00 0.00 174.62 173.97 4azu s LEU 125 N -2.05 2.16 -0.03 4.79 0.20 -0.42 -0.78 118.68 122.56 4azu s LEU 125 Ca 0.30 -0.53 0.05 0.00 0.69 0.00 0.00 54.13 54.64 4azu s LEU 125 Cb -0.13 -1.43 -0.01 0.00 -0.43 0.00 0.00 46.19 44.19 4azu s LEU 125 CO 0.20 0.16 -0.18 -0.89 -0.29 0.00 0.00 176.35 175.35 4azu s THR 126 N 0.35 1.43 -0.33 3.68 2.01 0.13 -3.53 115.64 119.38 4azu s THR 126 Ca -0.18 -0.75 -0.14 0.00 0.31 0.00 0.00 61.69 60.93 4azu s THR 126 Cb -0.18 -1.21 -0.02 0.00 0.01 0.00 0.00 72.50 71.11 4azu s THR 126 CO 0.09 0.41 0.32 -0.22 -0.69 0.00 0.00 174.62 174.53 4azu s LEU 127 N -0.24 4.37 0.00 4.42 1.98 -1.26 -0.35 118.68 127.60 4azu s LEU 127 Ca 0.03 -0.19 0.00 0.00 -2.89 0.00 0.00 54.13 51.08 4azu s LEU 127 Cb -0.09 -2.29 0.00 0.00 0.66 0.00 0.00 46.19 44.47 4azu s LEU 127 CO 0.00 -0.28 0.37 2.29 -1.89 0.00 0.00 176.35 176.85