#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5azu n GLU 2 N 0.00 0.00 0.00 0.00 2.13 -1.26 -3.59 120.64 117.92 5azu n GLU 2 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 5azu n GLU 2 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 5azu n GLU 2 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 5azu s SER 4 N -0.26 -0.27 0.02 0.00 1.04 -1.24 -1.52 113.70 111.47 5azu s SER 4 Ca 0.00 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.35 5azu s SER 4 Cb 0.00 0.44 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 5azu s SER 4 CO 0.00 -0.71 -0.02 0.54 0.98 0.00 0.00 173.24 174.02 5azu s VAL 5 N -2.83 0.10 -0.17 5.02 0.11 0.09 -4.45 120.40 118.27 5azu s VAL 5 Ca -0.03 -0.69 -0.06 0.00 -2.93 0.00 0.00 61.98 58.27 5azu s VAL 5 Cb -0.00 -0.21 -0.03 0.00 -1.53 0.00 0.00 36.38 34.60 5azu s VAL 5 CO -0.05 -0.37 0.02 -1.81 -3.33 0.00 0.00 175.10 169.56 5azu s ASP 6 N -1.10 5.21 0.08 3.54 1.01 -1.26 -1.16 116.67 123.00 5azu s ASP 6 Ca -0.12 -0.03 0.06 0.00 0.71 0.00 0.00 52.55 53.17 5azu s ASP 6 Cb -0.08 -1.88 -0.03 0.00 1.01 0.00 0.00 42.92 41.95 5azu s ASP 6 CO -0.01 0.16 -0.16 -0.63 0.21 0.00 0.00 175.17 174.74 5azu s ILE 7 N 0.44 1.33 0.03 0.77 1.01 0.04 -4.95 121.20 119.87 5azu s ILE 7 Ca -0.00 -1.41 0.02 0.00 0.00 0.00 0.00 60.65 59.26 5azu s ILE 7 Cb -0.13 -1.26 -0.02 0.00 0.01 0.00 0.00 42.46 41.06 5azu s ILE 7 CO 0.02 -0.18 -0.06 0.00 0.00 0.00 0.00 174.94 174.71 5azu s GLN 8 N -1.85 0.46 -0.04 2.79 -2.07 -1.26 -1.48 119.66 116.21 5azu s GLN 8 Ca 0.01 -0.61 0.06 0.00 -1.82 0.00 0.00 55.36 53.00 5azu s GLN 8 Cb -0.10 -0.25 -0.02 0.00 -1.09 0.00 0.00 33.01 31.56 5azu s GLN 8 CO 0.03 0.05 -0.23 0.20 -1.32 0.00 0.00 175.29 174.01 5azu s GLY 9 N -1.26 1.33 0.00 2.60 0.00 -1.08 -1.54 107.32 107.38 5azu s GLY 9 Ca -0.08 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 43.57 5azu s GLY 9 CO 0.00 -0.77 0.00 1.16 0.00 0.00 0.00 173.10 173.49 5azu n ASN 10 N 2.66 1.82 0.00 1.64 0.23 -0.77 -3.66 115.26 117.18 5azu n ASN 10 Ca -0.17 -0.83 0.12 0.00 -0.53 0.00 0.00 54.58 53.18 5azu n ASN 10 Cb 0.52 0.00 0.56 0.00 -2.08 0.00 0.00 39.78 38.78 5azu n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 5azu n ASP 11 N -0.97 0.00 -1.62 0.53 8.00 -1.26 -2.89 116.55 118.33 5azu n ASP 11 Ca 0.00 0.35 0.07 0.00 0.71 0.00 0.00 54.79 55.92 5azu n ASP 11 Cb 0.00 -0.45 0.34 0.00 -0.02 0.00 0.00 41.12 41.00 5azu n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 5azu n GLN 12 N -1.45 4.06 -3.67 -1.24 1.13 -1.26 -4.92 117.38 110.04 5azu n GLN 12 Ca 0.08 -2.68 -0.23 0.00 -1.94 0.00 0.00 57.00 52.23 5azu n GLN 12 Cb 0.27 -2.05 0.05 0.00 0.11 0.00 0.00 30.24 28.62 5azu n GLN 12 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 5azu n MET 13 N 0.70 -5.91 -3.98 -1.09 0.00 -1.14 -4.99 117.12 100.71 5azu n MET 13 Ca 0.24 0.70 -0.11 0.00 0.00 0.00 0.00 57.70 58.52 5azu n MET 13 Cb 0.98 -5.51 -0.12 0.00 0.00 0.00 0.00 33.22 28.57 5azu n MET 13 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 5azu s GLN 14 N -6.03 0.26 0.39 2.12 -0.21 -1.26 -4.33 119.66 110.60 5azu s GLN 14 Ca 0.23 -0.39 -0.08 0.00 0.02 0.00 0.00 55.36 55.14 5azu s GLN 14 Cb -0.11 -0.06 -0.06 0.00 1.00 0.00 0.00 33.01 33.78 5azu s GLN 14 CO 0.78 0.00 0.72 -0.06 -2.12 0.00 0.00 175.29 174.61 5azu s PHE 15 N -0.82 3.48 -2.09 0.91 0.08 -1.26 -1.84 117.98 116.44 5azu s PHE 15 Ca -0.08 0.91 0.30 0.00 0.12 0.00 0.00 56.93 58.18 5azu s PHE 15 Cb -0.06 -2.33 1.64 0.00 -0.57 0.00 0.00 43.02 41.70 5azu s PHE 15 CO -0.00 -0.06 2.07 0.27 -0.10 0.00 0.00 175.22 177.40 5azu n ASN 16 N -1.34 0.31 -3.78 1.36 6.94 -0.59 -4.82 115.26 113.34 5azu n ASN 16 Ca 0.01 -1.15 -0.12 0.00 -0.02 0.00 0.00 54.58 53.29 5azu n ASN 16 Cb 0.54 -0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.87 5azu n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 5azu s THR 17 N -1.99 0.07 -0.08 5.53 -1.32 -1.26 -5.02 115.64 111.56 5azu s THR 17 Ca 0.44 -0.60 0.12 0.00 -1.21 0.00 0.00 61.69 60.44 5azu s THR 17 Cb 0.21 -0.71 0.19 0.00 -1.51 0.00 0.00 72.50 70.67 5azu s THR 17 CO 0.34 -0.33 1.09 0.59 -2.21 0.00 0.00 174.62 174.11 5azu n ASN 18 N 1.05 1.53 -3.64 8.08 4.13 -1.26 -4.82 115.26 120.34 5azu n ASN 18 Ca -0.21 -2.69 -0.06 0.00 1.68 0.00 0.00 54.58 53.30 5azu n ASN 18 Cb 0.57 -0.34 -0.07 0.00 -1.54 0.00 0.00 39.78 38.40 5azu n ASN 18 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 5azu s ALA 19 N -1.86 -1.92 -0.03 5.41 0.00 -1.26 -1.57 121.76 120.54 5azu s ALA 19 Ca 0.21 2.41 0.03 0.00 0.00 0.00 0.00 51.96 54.61 5azu s ALA 19 Cb 0.18 -1.48 -0.00 0.00 0.00 0.00 0.00 23.12 21.82 5azu s ALA 19 CO 0.02 -0.43 -0.13 0.42 0.00 0.00 0.00 175.76 175.65 5azu s ILE 20 N 1.73 1.05 -0.13 0.00 1.01 0.83 -4.93 121.20 120.76 5azu s ILE 20 Ca -0.10 -0.52 -0.02 0.00 0.00 0.00 0.00 60.65 60.02 5azu s ILE 20 Cb -0.06 -0.91 -0.02 0.00 0.01 0.00 0.00 42.46 41.48 5azu s ILE 20 CO -0.20 0.31 -0.08 -0.89 0.00 0.00 0.00 174.94 174.09 5azu s THR 21 N 0.04 3.56 -0.28 2.92 2.01 -1.26 -0.98 115.64 121.65 5azu s THR 21 Ca -0.02 -0.49 -0.06 0.00 0.31 0.00 0.00 61.69 61.44 5azu s THR 21 Cb -0.09 -2.52 0.00 0.00 0.01 0.00 0.00 72.50 69.90 5azu s THR 21 CO 0.01 0.52 0.05 -0.69 -0.69 0.00 0.00 174.62 173.82 5azu s VAL 22 N 0.20 3.87 0.19 3.82 1.01 0.11 -4.94 120.40 124.65 5azu s VAL 22 Ca -0.04 -0.62 -0.31 0.00 0.00 0.00 0.00 61.98 61.01 5azu s VAL 22 Cb -0.14 -2.94 -0.09 0.00 0.00 0.00 0.00 36.38 33.20 5azu s VAL 22 CO 0.04 0.16 1.43 -0.62 0.00 0.00 0.00 175.10 176.11 5azu s ASP 23 N 1.50 6.73 0.56 3.32 2.15 -1.26 -1.06 116.67 128.62 5azu s ASP 23 Ca 0.03 2.51 0.38 0.00 0.43 0.00 0.00 52.55 55.90 5azu s ASP 23 Cb -0.17 -2.60 2.04 0.00 -0.30 0.00 0.00 42.92 41.89 5azu s ASP 23 CO 0.01 -0.68 2.16 0.11 -0.17 0.00 0.00 175.17 176.61 5azu h LYS 24 N 5.93 0.00 0.00 4.34 1.57 -1.94 -0.49 116.57 125.99 5azu h LYS 24 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 5azu h LYS 24 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 5azu h LYS 24 CO 0.83 0.00 0.00 0.77 -0.57 0.00 0.00 179.45 180.48 5azu h SER 25 N 0.00 0.00 -3.37 0.86 0.02 -1.93 -3.43 113.55 105.70 5azu h SER 25 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 5azu h SER 25 Cb 0.02 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.57 5azu h SER 25 CO 0.00 0.00 0.54 0.00 -1.14 0.00 0.00 176.83 176.23 5azu h LYS 27 N 5.93 0.08 -4.64 0.00 1.57 -1.87 -3.43 116.57 114.21 5azu h LYS 27 Ca -0.43 -0.14 -0.24 0.00 -1.87 0.00 0.00 60.65 57.96 5azu h LYS 27 Cb 1.21 0.05 -0.17 0.00 0.08 0.00 0.00 32.23 33.40 5azu h LYS 27 CO 0.77 0.81 -0.71 -0.65 -0.57 0.00 0.00 179.45 179.10 5azu s GLN 28 N -2.62 0.73 -0.01 3.15 -0.21 -1.26 -1.13 119.66 118.31 5azu s GLN 28 Ca -0.06 -1.13 0.02 0.00 0.02 0.00 0.00 55.36 54.21 5azu s GLN 28 Cb 0.08 -0.25 0.00 0.00 1.00 0.00 0.00 33.01 33.84 5azu s GLN 28 CO 0.83 0.01 -0.06 0.12 -2.12 0.00 0.00 175.29 174.07 5azu s PHE 29 N -2.80 0.59 -0.10 0.91 5.36 -0.32 -4.85 117.98 116.77 5azu s PHE 29 Ca 0.04 -0.12 0.03 0.00 -0.96 0.00 0.00 56.93 55.92 5azu s PHE 29 Cb -0.00 -0.42 -0.01 0.00 -0.34 0.00 0.00 43.02 42.24 5azu s PHE 29 CO -0.03 -0.05 -0.18 0.99 -1.46 0.00 0.00 175.22 174.50 5azu s THR 30 N 0.09 2.65 -0.18 0.12 2.01 -0.58 -1.54 115.64 118.20 5azu s THR 30 Ca -0.01 -0.83 -0.02 0.00 0.31 0.00 0.00 61.69 61.15 5azu s THR 30 Cb -0.05 -2.05 -0.01 0.00 0.01 0.00 0.00 72.50 70.40 5azu s THR 30 CO -0.00 0.55 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.69 5azu s VAL 31 N 0.06 3.03 -0.29 3.82 1.01 -0.25 -0.73 120.40 127.05 5azu s VAL 31 Ca -0.07 -0.63 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 5azu s VAL 31 Cb -0.15 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.91 5azu s VAL 31 CO 0.05 0.48 0.07 0.20 0.00 0.00 0.00 175.10 175.89 5azu s ASN 32 N 1.08 5.05 -0.10 3.32 0.01 -0.31 -1.91 114.94 122.08 5azu s ASN 32 Ca 0.00 -0.69 -0.02 0.00 -0.71 0.00 0.00 52.86 51.44 5azu s ASN 32 Cb -0.15 -1.86 -0.03 0.00 0.41 0.00 0.00 41.25 39.62 5azu s ASN 32 CO -0.02 -0.17 0.01 -0.22 -1.51 0.00 0.00 177.10 175.18 5azu s LEU 33 N 1.49 3.59 0.15 0.60 2.96 0.65 -0.78 118.68 127.34 5azu s LEU 33 Ca 0.03 0.13 0.05 0.00 -0.22 0.00 0.00 54.13 54.12 5azu s LEU 33 Cb -0.17 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 5azu s LEU 33 CO 0.02 0.35 -0.11 -0.94 -1.32 0.00 0.00 176.35 174.35 5azu s SER 34 N -0.72 1.89 -0.32 3.68 1.04 -0.55 -0.79 113.70 117.94 5azu s SER 34 Ca 0.11 -0.96 0.03 0.00 0.48 0.00 0.00 55.95 55.61 5azu s SER 34 Cb -0.12 -0.03 0.10 0.00 0.10 0.00 0.00 66.02 66.06 5azu s SER 34 CO 0.02 -0.27 0.04 -2.28 0.98 0.00 0.00 173.24 171.73 5azu s HIS 35 N -3.00 3.36 -0.61 5.02 2.46 -0.79 -2.62 115.29 119.11 5azu s HIS 35 Ca 0.15 -2.71 0.02 0.00 0.47 0.00 0.00 55.06 53.00 5azu s HIS 35 Cb 0.00 -2.61 0.16 0.00 -0.13 0.00 0.00 32.58 30.01 5azu s HIS 35 CO 0.02 -0.93 0.90 -0.35 -2.47 0.00 0.00 174.74 171.91 5azu n PRO 36 N 4.37 1.65 -1.38 2.88 -0.04 -1.24 -1.05 135.00 140.19 5azu n PRO 36 Ca 0.01 -0.65 -0.01 0.00 -0.04 0.00 0.00 63.50 62.80 5azu n PRO 36 Cb 0.42 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 5azu n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 5azu n GLY 37 N 0.14 2.54 0.13 0.55 0.00 -1.26 -4.92 105.19 102.37 5azu n GLY 37 Ca 0.08 -2.16 0.04 0.00 0.00 0.00 0.00 46.02 43.98 5azu n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 5azu n ASN 38 N -2.44 0.86 -4.78 1.61 3.02 -1.26 -3.96 115.26 108.31 5azu n ASN 38 Ca 0.00 -0.93 -0.37 0.00 -0.03 0.00 0.00 54.58 53.25 5azu n ASN 38 Cb 0.03 0.64 -0.06 0.00 -0.61 0.00 0.00 39.78 39.78 5azu n ASN 38 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 5azu s LEU 39 N -1.78 4.41 0.69 3.41 1.43 -1.26 -4.79 118.68 120.79 5azu s LEU 39 Ca 0.06 1.73 -0.12 0.00 -1.03 0.00 0.00 54.13 54.77 5azu s LEU 39 Cb 0.06 -3.77 0.01 0.00 0.03 0.00 0.00 46.19 42.52 5azu s LEU 39 CO 0.25 0.02 1.06 -2.16 0.23 0.00 0.00 176.35 175.75 5azu s PRO 40 N -1.80 2.93 0.28 1.29 0.04 -1.26 -1.68 135.00 134.79 5azu s PRO 40 Ca 0.45 1.02 0.01 0.00 0.04 0.00 0.00 61.00 62.52 5azu s PRO 40 Cb -0.20 -1.99 0.64 0.00 0.04 0.00 0.00 34.50 33.00 5azu s PRO 40 CO 0.24 -1.11 1.69 -0.22 0.04 0.00 0.00 177.00 177.64 5azu h LYS 41 N -0.58 0.33 0.00 4.56 3.64 -1.84 -0.09 116.57 122.59 5azu h LYS 41 Ca -0.44 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 5azu h LYS 41 Cb 1.21 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 5azu h LYS 41 CO 0.56 0.22 0.00 0.27 -2.27 0.00 0.00 179.45 178.23 5azu n ASN 42 N -5.10 0.00 -0.08 4.20 0.23 -1.26 -0.06 115.26 113.19 5azu n ASN 42 Ca 0.19 0.39 -0.11 0.00 -0.53 0.00 0.00 54.58 54.53 5azu n ASN 42 Cb 0.59 -0.46 -0.07 0.00 -2.08 0.00 0.00 39.78 37.77 5azu n ASN 42 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 5azu n VAL 43 N -1.46 0.86 -2.76 3.53 0.31 -0.41 -4.83 118.33 113.58 5azu n VAL 43 Ca 0.06 -0.32 -0.03 0.00 -0.01 0.00 0.00 64.34 64.04 5azu n VAL 43 Cb 0.24 -1.06 0.06 0.00 -0.91 0.00 0.00 33.84 32.17 5azu n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 5azu n MET 44 N -2.97 1.50 -2.16 5.55 1.56 -0.18 -5.02 117.12 115.40 5azu n MET 44 Ca -0.27 -2.94 -0.35 0.00 -0.27 0.00 0.00 57.70 53.86 5azu n MET 44 Cb 0.78 -1.07 0.01 0.00 2.15 0.00 0.00 33.22 35.09 5azu n MET 44 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 5azu s GLY 45 N -3.02 2.68 0.05 -5.12 0.00 0.91 -4.71 107.32 98.12 5azu s GLY 45 Ca 0.24 0.90 0.05 0.00 0.00 0.00 0.00 44.72 45.91 5azu s GLY 45 CO -0.04 1.28 -0.14 0.30 0.00 0.00 0.00 173.10 174.49 5azu s HIS 46 N -1.69 1.23 0.21 1.90 3.76 -0.21 -4.71 115.29 115.78 5azu s HIS 46 Ca 0.75 -0.40 0.01 0.00 -0.15 0.00 0.00 55.06 55.26 5azu s HIS 46 Cb -0.27 -0.71 -0.05 0.00 1.11 0.00 0.00 32.58 32.67 5azu s HIS 46 CO 0.29 0.05 0.07 0.54 -0.85 0.00 0.00 174.74 174.84 5azu s ASN 47 N -1.42 0.98 -0.19 1.40 2.20 -1.26 -0.80 114.94 115.84 5azu s ASN 47 Ca -0.00 -1.30 0.01 0.00 -0.94 0.00 0.00 52.86 50.63 5azu s ASN 47 Cb -0.09 0.19 0.02 0.00 -2.00 0.00 0.00 41.25 39.37 5azu s ASN 47 CO 0.02 -0.69 -0.17 0.86 -2.94 0.00 0.00 177.10 174.17 5azu s TRP 48 N -3.80 2.85 -0.06 1.54 -0.00 -1.26 -4.13 118.94 114.08 5azu s TRP 48 Ca 0.32 -1.64 0.03 0.00 -0.00 0.00 0.00 56.10 54.81 5azu s TRP 48 Cb 0.07 -1.94 0.01 0.00 -0.00 0.00 0.00 33.47 31.60 5azu s TRP 48 CO 0.09 -0.79 -0.14 0.08 -0.00 0.00 0.00 176.95 176.19 5azu s VAL 49 N 1.29 1.25 -0.10 5.86 1.01 -0.34 -1.35 120.40 128.02 5azu s VAL 49 Ca 0.04 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 5azu s VAL 49 Cb -0.14 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 5azu s VAL 49 CO -0.11 0.37 -0.06 -0.22 0.00 0.00 0.00 175.10 175.08 5azu s LEU 50 N 0.40 3.15 0.37 3.92 2.96 -0.39 -0.87 118.68 128.22 5azu s LEU 50 Ca -0.10 -0.09 -0.12 0.00 -0.22 0.00 0.00 54.13 53.60 5azu s LEU 50 Cb -0.14 -1.71 0.04 0.00 0.50 0.00 0.00 46.19 44.88 5azu s LEU 50 CO 0.03 0.28 0.69 -0.94 -1.32 0.00 0.00 176.35 175.09 5azu s SER 51 N -0.30 0.29 0.71 3.68 1.04 -0.85 -1.10 113.70 117.16 5azu s SER 51 Ca 0.04 -1.25 -0.11 0.00 0.48 0.00 0.00 55.95 55.12 5azu s SER 51 Cb -0.13 0.79 0.02 0.00 0.10 0.00 0.00 66.02 66.81 5azu s SER 51 CO 0.02 -1.57 1.07 0.42 0.98 0.00 0.00 173.24 174.17 5azu s THR 52 N -2.56 3.76 0.32 2.02 -4.23 -1.26 -1.26 115.64 112.43 5azu s THR 52 Ca 0.20 0.60 0.01 0.00 -1.18 0.00 0.00 61.69 61.32 5azu s THR 52 Cb -0.04 -3.23 0.28 0.00 1.34 0.00 0.00 72.50 70.85 5azu s THR 52 CO 0.14 -0.72 1.94 0.00 -0.54 0.00 0.00 174.62 175.44 5azu h ALA 53 N -0.75 1.52 0.00 3.99 0.00 -1.09 -1.40 119.26 121.54 5azu h ALA 53 Ca -0.44 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 5azu h ALA 53 Cb 1.22 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 5azu h ALA 53 CO 0.55 0.38 -0.22 0.00 0.00 0.00 0.00 179.25 179.96 5azu h ALA 54 N 1.53 1.34 -0.01 0.00 0.00 -1.92 -2.88 119.26 117.32 5azu h ALA 54 Ca 0.34 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.05 5azu h ALA 54 Cb 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 5azu h ALA 54 CO -0.11 0.28 -0.33 -0.25 0.00 0.00 0.00 179.25 178.84 5azu n ASP 55 N -3.85 1.79 -0.02 0.00 8.00 -0.56 -4.51 116.55 117.40 5azu n ASP 55 Ca -0.02 -1.37 -0.10 0.00 0.71 0.00 0.00 54.79 54.01 5azu n ASP 55 Cb 0.32 0.29 -0.04 0.00 -0.02 0.00 0.00 41.12 41.67 5azu n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 5azu h MET 56 N 2.29 0.09 -0.91 -1.24 4.05 -1.24 -1.64 114.93 116.32 5azu h MET 56 Ca 0.00 -0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.44 5azu h MET 56 Cb 0.69 -0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 31.42 5azu h MET 56 CO 0.00 0.06 0.59 0.37 0.23 0.00 0.00 176.91 178.16 5azu h GLN 57 N 0.09 1.13 -0.49 0.39 5.75 -1.79 -0.71 115.11 119.49 5azu h GLN 57 Ca 0.06 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 5azu h GLN 57 Cb 0.05 -0.26 -0.02 0.00 1.07 0.00 0.00 27.48 28.32 5azu h GLN 57 CO -0.08 0.75 0.20 0.78 -2.65 0.00 0.00 178.83 177.83 5azu h GLY 58 N 1.17 0.78 0.95 2.39 0.00 -1.78 -0.61 103.07 105.97 5azu h GLY 58 Ca 0.35 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 5azu h GLY 58 CO -0.11 0.40 0.16 -2.08 0.00 0.00 0.00 176.54 174.92 5azu h VAL 59 N 0.65 1.19 -0.18 4.60 2.07 -0.78 -2.14 116.25 121.67 5azu h VAL 59 Ca 0.16 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 5azu h VAL 59 Cb 0.19 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 5azu h VAL 59 CO -0.01 0.22 0.10 0.58 0.02 0.00 0.00 177.57 178.47 5azu h VAL 60 N 0.51 1.10 -0.31 2.57 2.07 -1.01 0.90 116.25 122.07 5azu h VAL 60 Ca 0.13 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.33 5azu h VAL 60 Cb 0.18 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 5azu h VAL 60 CO -0.01 0.09 -0.06 0.74 0.02 0.00 0.00 177.57 178.35 5azu h THR 61 N 0.19 1.28 0.00 2.57 2.02 -1.06 -0.75 112.91 117.16 5azu h THR 61 Ca 0.06 -1.09 -0.12 0.00 0.77 0.00 0.00 66.41 66.03 5azu h THR 61 Cb 0.06 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 5azu h THR 61 CO -0.01 0.35 -0.59 0.44 0.37 0.00 0.00 175.52 176.07 5azu h ASP 62 N 0.36 0.00 -0.17 4.18 3.32 -1.41 -1.83 116.42 120.86 5azu h ASP 62 Ca 0.08 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 5azu h ASP 62 Cb 0.54 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 5azu h ASP 62 CO 0.03 0.59 0.07 1.23 -1.72 0.00 0.00 179.24 179.44 5azu h GLY 63 N 1.86 0.28 0.50 2.75 0.00 -0.63 -2.30 103.07 105.54 5azu h GLY 63 Ca -0.01 -0.15 0.05 0.00 0.00 0.00 0.00 47.33 47.22 5azu h GLY 63 CO 0.08 0.15 -0.05 1.98 0.00 0.00 0.00 176.54 178.69 5azu h MET 64 N 0.12 0.02 -0.02 4.80 1.85 -0.88 -1.80 114.93 119.01 5azu h MET 64 Ca 0.06 -0.00 0.01 0.00 -0.61 0.00 0.00 59.70 59.15 5azu h MET 64 Cb 0.18 -0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.21 5azu h MET 64 CO -0.00 0.01 0.02 0.00 -0.40 0.00 0.00 176.91 176.54 5azu h ALA 65 N 1.25 1.65 0.00 0.39 0.00 -1.21 -2.81 119.26 118.54 5azu h ALA 65 Ca 0.13 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 5azu h ALA 65 Cb 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 5azu h ALA 65 CO -0.26 -0.04 -0.30 0.77 0.00 0.00 0.00 179.25 179.43 5azu h SER 66 N 0.00 0.00 -4.31 0.00 0.02 -0.74 -3.50 113.55 105.03 5azu h SER 66 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 5azu h SER 66 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 5azu h SER 66 CO -0.00 0.30 0.00 0.61 -1.14 0.00 0.00 176.83 176.60 5azu n GLY 67 N 0.34 -0.80 0.35 -3.77 0.00 -1.06 -4.21 105.19 96.03 5azu n GLY 67 Ca 0.00 -1.70 -0.05 0.00 0.00 0.00 0.00 46.02 44.28 5azu n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 5azu h LEU 68 N 0.00 1.09 -2.32 0.99 5.85 -1.92 -1.19 115.31 117.81 5azu h LEU 68 Ca 0.00 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.61 5azu h LEU 68 Cb 0.00 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 5azu h LEU 68 CO 0.00 0.94 0.17 0.44 -0.34 0.00 0.00 178.44 179.65 5azu h ASP 69 N 1.17 0.00 -0.60 1.25 3.32 -2.02 -0.86 116.42 118.69 5azu h ASP 69 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 5azu h ASP 69 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 5azu h ASP 69 CO -0.03 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.78 5azu n LYS 70 N -3.66 3.72 -3.28 3.56 4.76 -1.00 -4.92 118.16 117.34 5azu n LYS 70 Ca 0.00 -2.86 -0.23 0.00 -2.87 0.00 0.00 58.31 52.35 5azu n LYS 70 Cb 0.27 -1.88 0.01 0.00 -1.84 0.00 0.00 35.03 31.59 5azu n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 5azu n ASP 71 N 0.94 -4.67 -4.04 4.39 8.00 -0.33 -2.16 116.55 118.69 5azu n ASP 71 Ca 0.25 -0.38 -0.30 0.00 0.71 0.00 0.00 54.79 55.07 5azu n ASP 71 Cb 0.89 -3.81 -0.01 0.00 -0.02 0.00 0.00 41.12 38.17 5azu n ASP 71 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 5azu n TYR 72 N -4.20 -1.82 -3.78 1.24 4.01 -0.48 -4.72 117.16 107.39 5azu n TYR 72 Ca -0.05 0.80 -0.13 0.00 -0.16 0.00 0.00 57.90 58.36 5azu n TYR 72 Cb 0.57 -3.52 -0.14 0.00 -0.31 0.00 0.00 39.34 35.94 5azu n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 5azu s LEU 73 N -7.13 1.11 0.19 7.72 1.43 -0.92 -4.15 118.68 116.94 5azu s LEU 73 Ca 0.41 0.23 -0.31 0.00 -1.03 0.00 0.00 54.13 53.43 5azu s LEU 73 Cb -0.22 0.30 -0.10 0.00 0.03 0.00 0.00 46.19 46.20 5azu s LEU 73 CO 0.89 -0.10 1.57 -0.75 0.23 0.00 0.00 176.35 178.18 5azu s LYS 74 N 0.73 4.21 0.07 1.70 2.20 -1.26 -4.82 119.74 122.57 5azu s LYS 74 Ca -0.06 2.40 -0.34 0.00 -0.36 0.00 0.00 55.97 57.61 5azu s LYS 74 Cb -0.08 -3.13 -0.13 0.00 -1.51 0.00 0.00 37.83 32.99 5azu s LYS 74 CO -0.03 -0.60 1.67 -2.30 -0.36 0.00 0.00 175.35 173.74 5azu n PRO 75 N 3.56 2.13 -3.94 4.03 -0.02 -1.26 -2.36 135.00 137.14 5azu n PRO 75 Ca 0.12 0.77 -0.30 0.00 -2.02 0.00 0.00 63.50 62.08 5azu n PRO 75 Cb 0.38 -2.57 0.02 0.00 -0.02 0.00 0.00 33.50 31.32 5azu n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 5azu n ASP 76 N 4.49 -4.08 -4.64 2.55 8.00 -1.26 -4.90 116.55 116.70 5azu n ASP 76 Ca 0.19 -0.82 -0.42 0.00 0.71 0.00 0.00 54.79 54.44 5azu n ASP 76 Cb 0.29 -3.71 -0.03 0.00 -0.02 0.00 0.00 41.12 37.65 5azu n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 5azu s ASP 77 N -3.45 6.40 0.31 -2.24 -1.08 -1.00 -4.88 116.67 110.74 5azu s ASP 77 Ca 0.59 2.08 0.26 0.00 -0.52 0.00 0.00 52.55 54.95 5azu s ASP 77 Cb -0.30 -2.53 1.00 0.00 -1.46 0.00 0.00 42.92 39.63 5azu s ASP 77 CO 0.84 -1.17 1.77 0.77 0.52 0.00 0.00 175.17 177.90 5azu h SER 78 N 10.74 0.00 1.11 -0.34 4.64 -1.92 -2.81 113.55 124.96 5azu h SER 78 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 5azu h SER 78 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 5azu h SER 78 CO 0.97 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.47 5azu n ARG 79 N -2.44 0.24 -3.01 4.77 1.74 -1.26 -4.72 116.66 111.98 5azu n ARG 79 Ca 0.02 0.33 -0.42 0.00 -0.77 0.00 0.00 57.85 57.02 5azu n ARG 79 Cb 0.29 -1.85 -0.06 0.00 -1.02 0.00 0.00 32.46 29.82 5azu n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 5azu s VAL 80 N -3.22 4.85 0.12 1.55 1.01 -1.06 -4.50 120.40 119.14 5azu s VAL 80 Ca 0.07 1.02 -0.10 0.00 0.00 0.00 0.00 61.98 62.97 5azu s VAL 80 Cb 0.11 -4.09 -0.14 0.00 0.00 0.00 0.00 36.38 32.25 5azu s VAL 80 CO 0.50 -0.22 1.34 0.40 0.00 0.00 0.00 175.10 177.12 5azu h ILE 81 N 5.59 1.30 -1.99 2.22 2.04 -1.40 -3.48 117.51 121.79 5azu h ILE 81 Ca -0.25 -1.98 0.06 0.00 1.00 0.00 0.00 64.86 63.68 5azu h ILE 81 Cb 1.10 1.97 -0.19 0.00 -0.74 0.00 0.00 36.82 38.97 5azu h ILE 81 CO 0.85 0.62 0.44 0.00 0.00 0.00 0.00 178.15 180.06 5azu s ALA 82 N -3.76 -1.84 0.15 1.87 0.00 -1.25 -5.01 121.76 111.92 5azu s ALA 82 Ca -0.09 1.27 -0.23 0.00 0.00 0.00 0.00 51.96 52.90 5azu s ALA 82 Cb 0.09 -0.08 0.07 0.00 0.00 0.00 0.00 23.12 23.20 5azu s ALA 82 CO 0.89 -0.48 0.64 -3.38 0.00 0.00 0.00 175.76 173.43 5azu s HIS 83 N -1.99 -0.50 0.54 0.00 -3.43 -1.26 -1.26 115.29 107.40 5azu s HIS 83 Ca -0.01 0.28 0.09 0.00 -0.80 0.00 0.00 55.06 54.62 5azu s HIS 83 Cb -0.01 0.57 0.07 0.00 -1.43 0.00 0.00 32.58 31.78 5azu s HIS 83 CO -0.01 -0.85 0.73 0.95 -2.00 0.00 0.00 174.74 173.56 5azu s THR 84 N -3.70 2.28 0.91 -5.38 -4.23 -0.46 -4.84 115.64 100.21 5azu s THR 84 Ca 0.02 -1.03 -0.11 0.00 -1.18 0.00 0.00 61.69 59.39 5azu s THR 84 Cb -0.01 -2.30 0.14 0.00 1.34 0.00 0.00 72.50 71.66 5azu s THR 84 CO -0.11 0.00 1.09 -0.54 -0.54 0.00 0.00 174.62 174.52 5azu s LYS 85 N -4.59 1.16 -0.18 3.99 1.02 -1.26 -4.65 119.74 115.23 5azu s LYS 85 Ca 0.59 1.03 -0.23 0.00 0.02 0.00 0.00 55.97 57.38 5azu s LYS 85 Cb -0.06 -1.78 -0.02 0.00 -0.52 0.00 0.00 37.83 35.45 5azu s LYS 85 CO 0.37 -2.37 0.75 -1.17 -0.92 0.00 0.00 175.35 172.01 5azu s LEU 86 N -6.35 4.16 0.21 3.17 2.96 -1.26 -4.38 118.68 117.19 5azu s LEU 86 Ca 0.64 1.03 0.11 0.00 -0.22 0.00 0.00 54.13 55.69 5azu s LEU 86 Cb -0.19 -3.09 -0.04 0.00 0.50 0.00 0.00 46.19 43.36 5azu s LEU 86 CO 0.58 -0.35 -0.19 0.27 -1.32 0.00 0.00 176.35 175.34 5azu s ILE 87 N 2.07 2.61 0.19 6.68 -4.36 0.02 -4.88 121.20 123.52 5azu s ILE 87 Ca 0.34 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.74 5azu s ILE 87 Cb -0.16 -2.29 0.01 0.00 1.25 0.00 0.00 42.46 41.27 5azu s ILE 87 CO 0.11 -0.17 0.08 0.61 0.24 0.00 0.00 174.94 175.81 5azu n GLY 88 N 0.03 3.41 3.45 6.27 0.00 -1.26 -1.05 105.19 116.03 5azu n GLY 88 Ca -0.11 -2.24 -0.60 0.00 0.00 0.00 0.00 46.02 43.08 5azu n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 5azu n SER 89 N -1.57 0.42 -0.28 1.61 2.88 -0.68 -1.30 113.62 114.70 5azu n SER 89 Ca -0.04 1.12 -0.04 0.00 -1.33 0.00 0.00 58.87 58.59 5azu n SER 89 Cb 0.22 -0.87 -0.02 0.00 -0.75 0.00 0.00 64.21 62.80 5azu n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 5azu n GLY 90 N 2.32 0.51 4.00 0.46 0.00 -0.22 -4.99 105.19 107.27 5azu n GLY 90 Ca 0.23 -0.10 -0.18 0.00 0.00 0.00 0.00 46.02 45.97 5azu n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 5azu s GLU 91 N -1.80 2.96 0.16 1.61 2.02 -0.42 -4.91 118.70 118.32 5azu s GLU 91 Ca 0.00 -1.14 -0.09 0.00 0.02 0.00 0.00 54.97 53.76 5azu s GLU 91 Cb 0.00 -2.79 -0.01 0.00 0.10 0.00 0.00 34.13 31.44 5azu s GLU 91 CO 0.00 -0.12 0.28 -1.59 0.02 0.00 0.00 175.26 173.85 5azu s LYS 92 N -4.27 1.13 0.22 1.61 -2.85 -1.26 -1.89 119.74 112.44 5azu s LYS 92 Ca 0.50 -1.15 -0.17 0.00 -1.00 0.00 0.00 55.97 54.15 5azu s LYS 92 Cb -0.10 0.38 0.02 0.00 -2.06 0.00 0.00 37.83 36.07 5azu s LYS 92 CO 0.32 -0.41 0.55 0.34 0.10 0.00 0.00 175.35 176.25 5azu s ASP 93 N -2.96 -0.23 0.01 0.03 2.15 0.03 -4.99 116.67 110.72 5azu s ASP 93 Ca 0.16 -0.59 -0.06 0.00 0.43 0.00 0.00 52.55 52.48 5azu s ASP 93 Cb 0.03 0.61 -0.00 0.00 -0.30 0.00 0.00 42.92 43.26 5azu s ASP 93 CO -0.01 -1.13 0.11 -0.55 -0.17 0.00 0.00 175.17 173.43 5azu s SER 94 N -2.91 0.08 -0.05 -0.34 0.15 -1.26 -0.25 113.70 109.11 5azu s SER 94 Ca 0.12 -0.32 -0.05 0.00 0.70 0.00 0.00 55.95 56.41 5azu s SER 94 Cb -0.02 0.20 0.01 0.00 -1.71 0.00 0.00 66.02 64.51 5azu s SER 94 CO 0.01 -0.40 0.14 0.54 1.20 0.00 0.00 173.24 174.73 5azu s VAL 95 N -1.72 -0.00 -0.06 4.45 0.11 -0.80 -4.95 120.40 117.43 5azu s VAL 95 Ca -0.12 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 58.99 5azu s VAL 95 Cb -0.06 -0.21 -0.01 0.00 -1.53 0.00 0.00 36.38 34.57 5azu s VAL 95 CO -0.00 0.00 -0.24 -0.89 -3.33 0.00 0.00 175.10 170.64 5azu s THR 96 N 0.10 1.96 0.11 5.04 2.01 -1.26 -1.09 115.64 122.52 5azu s THR 96 Ca -0.00 -1.01 0.03 0.00 0.31 0.00 0.00 61.69 61.02 5azu s THR 96 Cb -0.01 -1.66 -0.04 0.00 0.01 0.00 0.00 72.50 70.79 5azu s THR 96 CO 0.00 0.55 -0.09 0.72 -0.69 0.00 0.00 174.62 175.11 5azu s PHE 97 N -0.10 1.06 0.03 4.92 -0.71 -0.59 -4.95 117.98 117.63 5azu s PHE 97 Ca -0.05 -0.80 -0.30 0.00 -1.04 0.00 0.00 56.93 54.74 5azu s PHE 97 Cb -0.14 -0.57 -0.04 0.00 -1.21 0.00 0.00 43.02 41.06 5azu s PHE 97 CO 0.04 -0.03 1.12 0.34 -1.34 0.00 0.00 175.22 175.34 5azu s ASP 98 N -2.95 7.18 0.53 1.98 -1.08 -1.26 -1.18 116.67 119.89 5azu s ASP 98 Ca 0.12 1.86 0.32 0.00 -0.52 0.00 0.00 52.55 54.33 5azu s ASP 98 Cb 0.02 -2.57 1.20 0.00 -1.46 0.00 0.00 42.92 40.11 5azu s ASP 98 CO -0.02 -0.41 1.92 0.58 0.52 0.00 0.00 175.17 177.77 5azu h VAL 99 N 4.67 0.04 0.00 1.11 2.07 -1.39 -2.42 116.25 120.33 5azu h VAL 99 Ca -0.40 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.49 5azu h VAL 99 Cb 1.21 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 5azu h VAL 99 CO 0.80 0.02 0.00 -1.54 0.02 0.00 0.00 177.57 176.86 5azu n SER 100 N -3.11 0.00 -0.03 0.57 3.41 -1.26 -0.85 113.62 112.34 5azu n SER 100 Ca 0.01 -0.23 0.15 0.00 -0.26 0.00 0.00 58.87 58.54 5azu n SER 100 Cb 0.34 -0.19 0.84 0.00 -0.26 0.00 0.00 64.21 64.95 5azu n SER 100 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 5azu n LYS 101 N -1.19 0.83 -4.22 4.33 5.02 -0.91 -4.79 118.16 117.24 5azu n LYS 101 Ca 0.12 -0.07 -0.30 0.00 -2.02 0.00 0.00 58.31 56.04 5azu n LYS 101 Cb 0.13 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.55 5azu n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 5azu s LEU 102 N -2.21 3.18 0.11 -0.35 1.43 -0.03 -5.12 118.68 115.69 5azu s LEU 102 Ca 0.40 -0.30 0.07 0.00 -1.03 0.00 0.00 54.13 53.28 5azu s LEU 102 Cb 0.21 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 5azu s LEU 102 CO 0.41 0.19 -0.18 -1.59 0.23 0.00 0.00 176.35 175.41 5azu s LYS 103 N -2.15 1.08 0.52 1.70 -2.85 -1.26 -5.03 119.74 111.74 5azu s LYS 103 Ca 0.22 -1.19 -0.18 0.00 -1.00 0.00 0.00 55.97 53.83 5azu s LYS 103 Cb -0.11 -1.17 -0.07 0.00 -2.06 0.00 0.00 37.83 34.41 5azu s LYS 103 CO 0.14 0.26 1.02 -1.83 0.10 0.00 0.00 175.35 175.04 5azu s GLU 104 N -2.21 3.73 0.00 1.78 -1.05 -1.26 -3.31 118.70 116.38 5azu s GLU 104 Ca 0.07 1.18 0.00 0.00 -0.15 0.00 0.00 54.97 56.07 5azu s GLU 104 Cb -0.08 -2.09 0.00 0.00 -0.44 0.00 0.00 34.13 31.51 5azu s GLU 104 CO 0.04 -0.47 0.00 0.41 0.95 0.00 0.00 175.26 176.19 5azu n GLY 105 N -0.87 1.06 3.59 -3.83 0.00 -1.26 -5.04 105.19 98.85 5azu n GLY 105 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 5azu n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 5azu s GLU 106 N -0.33 2.72 -0.25 1.61 2.12 -1.21 -5.10 118.70 118.26 5azu s GLU 106 Ca 0.00 -0.58 -0.20 0.00 0.36 0.00 0.00 54.97 54.55 5azu s GLU 106 Cb 0.00 -2.58 -0.02 0.00 0.26 0.00 0.00 34.13 31.79 5azu s GLU 106 CO 0.00 0.65 0.63 -0.65 -0.54 0.00 0.00 175.26 175.35 5azu s GLN 107 N -0.97 4.12 0.10 4.30 -0.21 -1.26 -4.88 119.66 120.85 5azu s GLN 107 Ca 0.14 0.55 0.07 0.00 0.02 0.00 0.00 55.36 56.13 5azu s GLN 107 Cb -0.11 -3.64 -0.04 0.00 1.00 0.00 0.00 33.01 30.22 5azu s GLN 107 CO 0.03 -0.40 -0.08 0.71 -2.12 0.00 0.00 175.29 173.43 5azu s TYR 108 N 2.45 2.79 -0.01 0.91 2.02 -1.24 -0.52 117.35 123.74 5azu s TYR 108 Ca 0.26 -0.13 0.03 0.00 -0.37 0.00 0.00 57.07 56.86 5azu s TYR 108 Cb -0.16 -1.46 -0.00 0.00 -0.40 0.00 0.00 41.96 39.95 5azu s TYR 108 CO 0.09 0.43 -0.09 -1.64 -1.57 0.00 0.00 175.55 172.77 5azu s MET 109 N -2.21 0.83 0.09 -0.62 -1.94 -0.39 -2.11 119.30 112.96 5azu s MET 109 Ca 0.22 -0.32 0.04 0.00 -1.71 0.00 0.00 55.69 53.92 5azu s MET 109 Cb -0.11 -0.79 -0.04 0.00 2.01 0.00 0.00 34.83 35.89 5azu s MET 109 CO 0.14 0.17 0.03 -0.59 -0.01 0.00 0.00 175.02 174.76 5azu s PHE 110 N -0.06 3.06 0.19 -0.03 -0.12 0.00 -2.02 117.98 119.01 5azu s PHE 110 Ca 0.01 0.01 -0.24 0.00 -0.05 0.00 0.00 56.93 56.67 5azu s PHE 110 Cb -0.05 -1.57 0.05 0.00 -0.63 0.00 0.00 43.02 40.82 5azu s PHE 110 CO -0.00 0.50 0.89 -0.59 -0.05 0.00 0.00 175.22 175.96 5azu s PHE 111 N -1.34 -0.15 -0.12 3.49 -0.71 -0.05 -1.40 117.98 117.70 5azu s PHE 111 Ca 0.27 -0.21 -0.04 0.00 -1.04 0.00 0.00 56.93 55.91 5azu s PHE 111 Cb -0.12 0.66 -0.04 0.00 -1.21 0.00 0.00 43.02 42.32 5azu s PHE 111 CO 0.20 -0.95 0.03 0.00 -1.34 0.00 0.00 175.22 173.16 5azu n THR 113 N 2.61 0.47 -2.01 0.00 -2.24 -1.26 -3.33 114.28 108.52 5azu n THR 113 Ca -0.18 -0.67 -0.41 0.00 -2.27 0.00 0.00 64.05 60.51 5azu n THR 113 Cb 0.53 0.81 -0.02 0.00 -2.10 0.00 0.00 70.33 69.55 5azu n THR 113 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 5azu s PHE 114 N -1.53 3.04 0.04 4.78 2.19 -1.26 -4.39 117.98 120.86 5azu s PHE 114 Ca 0.38 0.97 -0.38 0.00 0.33 0.00 0.00 56.93 58.23 5azu s PHE 114 Cb 0.22 -3.82 -0.17 0.00 -1.31 0.00 0.00 43.02 37.93 5azu s PHE 114 CO 0.30 -2.74 1.34 -2.30 1.83 0.00 0.00 175.22 173.66 5azu n PRO 115 N 2.66 0.99 0.00 10.12 -0.02 -1.26 -1.17 135.00 146.32 5azu n PRO 115 Ca 0.08 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 5azu n PRO 115 Cb 0.40 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 5azu n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 5azu n GLY 116 N 2.53 2.59 0.25 -1.23 0.00 -1.26 -4.88 105.19 103.20 5azu n GLY 116 Ca 0.19 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.28 5azu n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 5azu h HIS 117 N 0.00 0.00 0.00 1.61 3.86 -1.42 -3.09 115.15 116.11 5azu h HIS 117 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 5azu h HIS 117 Cb 0.00 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 5azu h HIS 117 CO 0.00 0.08 -0.03 0.66 0.86 0.00 0.00 177.93 179.50 5azu h SER 118 N 0.00 0.00 -0.62 2.45 4.64 -1.74 0.78 113.55 119.06 5azu h SER 118 Ca -0.00 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.42 5azu h SER 118 Cb 0.14 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.19 5azu h SER 118 CO 0.01 0.03 0.41 0.00 -0.87 0.00 0.00 176.83 176.42 5azu h ALA 119 N 1.97 1.99 0.00 5.18 0.00 -1.89 -3.23 119.26 123.27 5azu h ALA 119 Ca -0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 5azu h ALA 119 Cb 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 5azu h ALA 119 CO 0.00 -0.12 -1.34 1.28 0.00 0.00 0.00 179.25 179.07 5azu n LEU 120 N -4.47 0.00 -4.37 0.00 4.77 -0.55 -4.84 117.00 107.53 5azu n LEU 120 Ca 0.10 0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 55.63 5azu n LEU 120 Cb 0.36 0.11 -0.00 0.00 -2.33 0.00 0.00 43.42 41.56 5azu n LEU 120 CO 0.34 0.11 0.91 -0.04 -1.33 0.00 0.00 177.39 177.38 5azu s MET 121 N -2.15 4.10 0.15 3.23 -1.94 0.16 -4.68 119.30 118.17 5azu s MET 121 Ca -0.02 -2.94 -0.23 0.00 -1.71 0.00 0.00 55.69 50.78 5azu s MET 121 Cb 0.02 -4.69 0.07 0.00 2.01 0.00 0.00 34.83 32.24 5azu s MET 121 CO 0.21 -1.40 0.64 -1.59 -0.01 0.00 0.00 175.02 172.87 5azu s LYS 122 N -0.28 1.27 0.13 2.03 -2.85 -1.26 -1.51 119.74 117.27 5azu s LYS 122 Ca 0.33 -0.49 -0.24 0.00 -1.00 0.00 0.00 55.97 54.56 5azu s LYS 122 Cb -0.08 0.57 0.08 0.00 -2.06 0.00 0.00 37.83 36.34 5azu s LYS 122 CO -0.06 -0.56 1.08 0.20 0.10 0.00 0.00 175.35 176.12 5azu s GLY 123 N -2.74 -0.04 0.04 0.59 0.00 -0.50 -4.70 107.32 99.97 5azu s GLY 123 Ca 0.02 -0.08 -0.04 0.00 0.00 0.00 0.00 44.72 44.62 5azu s GLY 123 CO -0.11 2.13 0.26 -0.51 0.00 0.00 0.00 173.10 174.86 5azu s THR 124 N -2.39 5.32 -0.09 0.90 -4.23 -0.61 -0.82 115.64 113.73 5azu s THR 124 Ca 0.20 -0.03 0.04 0.00 -1.18 0.00 0.00 61.69 60.72 5azu s THR 124 Cb -0.01 -3.58 0.00 0.00 1.34 0.00 0.00 72.50 70.24 5azu s THR 124 CO 0.03 0.25 -0.22 -0.22 -0.54 0.00 0.00 174.62 173.92 5azu s LEU 125 N -2.11 2.00 -0.00 4.79 0.20 -0.90 -0.12 118.68 122.55 5azu s LEU 125 Ca 0.31 -0.50 0.03 0.00 0.69 0.00 0.00 54.13 54.66 5azu s LEU 125 Cb -0.13 -1.28 -0.01 0.00 -0.43 0.00 0.00 46.19 44.34 5azu s LEU 125 CO 0.21 0.14 -0.09 0.28 -0.29 0.00 0.00 176.35 176.60 5azu s THR 126 N 0.34 0.68 -0.29 3.68 -1.32 -0.15 -3.72 115.64 114.86 5azu s THR 126 Ca -0.16 -0.43 -0.23 0.00 -1.21 0.00 0.00 61.69 59.66 5azu s THR 126 Cb -0.17 -0.58 -0.00 0.00 -1.51 0.00 0.00 72.50 70.23 5azu s THR 126 CO 0.07 0.15 0.77 -0.22 -2.21 0.00 0.00 174.62 173.18 5azu s LEU 127 N -0.31 4.08 0.00 9.08 0.20 -1.26 0.06 118.68 130.53 5azu s LEU 127 Ca 0.03 0.74 0.00 0.00 0.69 0.00 0.00 54.13 55.58 5azu s LEU 127 Cb -0.04 -3.06 0.00 0.00 -0.43 0.00 0.00 46.19 42.66 5azu s LEU 127 CO -0.00 -0.55 0.04 0.29 -0.29 0.00 0.00 176.35 175.83