#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ils n GLU 2 N 0.00 1.78 -3.11 0.00 4.07 -1.26 -1.86 120.64 120.27 1ils n GLU 2 Ca 0.00 0.65 -0.23 0.00 -0.06 0.00 0.00 57.16 57.53 1ils n GLU 2 Cb 0.00 -2.43 0.03 0.00 -0.06 0.00 0.00 31.44 28.97 1ils n GLU 2 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ils s SER 4 N -2.71 -0.31 0.02 0.00 1.04 -0.78 -1.77 113.70 109.20 1ils s SER 4 Ca 0.33 -0.49 -0.00 0.00 0.48 0.00 0.00 55.95 56.27 1ils s SER 4 Cb -0.15 0.66 -0.02 0.00 0.10 0.00 0.00 66.02 66.61 1ils s SER 4 CO 0.40 -1.20 -0.02 0.54 0.98 0.00 0.00 173.24 173.94 1ils s VAL 5 N -3.88 0.12 -0.14 5.02 0.11 -0.85 -4.21 120.40 116.56 1ils s VAL 5 Ca 0.09 -0.98 -0.05 0.00 -2.93 0.00 0.00 61.98 58.11 1ils s VAL 5 Cb -0.04 -0.38 -0.04 0.00 -1.53 0.00 0.00 36.38 34.39 1ils s VAL 5 CO 0.01 -0.54 0.05 -1.81 -3.33 0.00 0.00 175.10 169.48 1ils s ASP 6 N -1.59 5.60 0.04 3.54 1.11 -1.26 -1.38 116.67 122.73 1ils s ASP 6 Ca -0.14 0.16 0.02 0.00 0.18 0.00 0.00 52.55 52.78 1ils s ASP 6 Cb -0.08 -1.82 -0.02 0.00 1.07 0.00 0.00 42.92 42.07 1ils s ASP 6 CO -0.02 0.28 -0.08 -0.55 1.18 0.00 0.00 175.17 175.98 1ils s SER 7 N -0.29 0.92 -0.00 0.27 0.15 0.41 -4.94 113.70 110.21 1ils s SER 7 Ca 0.08 -0.56 0.01 0.00 0.70 0.00 0.00 55.95 56.18 1ils s SER 7 Cb -0.12 0.03 -0.00 0.00 -1.71 0.00 0.00 66.02 64.22 1ils s SER 7 CO 0.02 -0.20 -0.04 -1.10 1.20 0.00 0.00 173.24 173.12 1ils s GLN 8 N -1.61 0.32 -0.17 5.44 -0.21 -1.26 -1.06 119.66 121.11 1ils s GLN 8 Ca -0.09 -0.13 -0.00 0.00 0.02 0.00 0.00 55.36 55.15 1ils s GLN 8 Cb -0.10 -0.31 0.00 0.00 1.00 0.00 0.00 33.01 33.61 1ils s GLN 8 CO 0.01 0.08 -0.15 0.20 -2.12 0.00 0.00 175.29 173.30 1ils s GLY 9 N -0.06 1.46 0.31 3.09 0.00 -0.90 -0.96 107.32 110.25 1ils s GLY 9 Ca 0.01 -1.11 0.04 0.00 0.00 0.00 0.00 44.72 43.66 1ils s GLY 9 CO -0.00 0.15 0.34 1.16 0.00 0.00 0.00 173.10 174.74 1ils n ASN 10 N 4.32 1.52 0.00 1.64 0.23 -0.23 -3.77 115.26 118.97 1ils n ASN 10 Ca -0.19 -1.92 0.10 0.00 -0.53 0.00 0.00 54.58 52.03 1ils n ASN 10 Cb 0.51 -0.13 0.43 0.00 -2.08 0.00 0.00 39.78 38.51 1ils n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1ils n ASP 11 N -2.30 0.00 -1.51 0.53 9.92 -1.25 -2.32 116.55 119.63 1ils n ASP 11 Ca 0.04 0.43 0.10 0.00 -0.53 0.00 0.00 54.79 54.83 1ils n ASP 11 Cb 0.33 -0.47 0.35 0.00 -0.64 0.00 0.00 41.12 40.69 1ils n ASP 11 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1ils n GLN 12 N -1.47 3.40 -3.21 -1.24 7.27 -1.26 -4.94 117.38 115.92 1ils n GLN 12 Ca 0.05 -2.82 -0.16 0.00 0.07 0.00 0.00 57.00 54.15 1ils n GLN 12 Cb 0.22 -1.78 0.06 0.00 2.41 0.00 0.00 30.24 31.15 1ils n GLN 12 CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 1ils n MET 13 N 1.30 -5.57 -4.28 3.69 2.81 -0.98 -5.04 117.12 109.05 1ils n MET 13 Ca 0.25 0.64 -0.19 0.00 -1.81 0.00 0.00 57.70 56.60 1ils n MET 13 Cb 0.80 -5.08 -0.13 0.00 -0.71 0.00 0.00 33.22 28.10 1ils n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1ils s GLN 14 N -5.51 0.85 -0.03 0.03 -0.21 -1.26 -4.28 119.66 109.24 1ils s GLN 14 Ca 0.22 -0.76 -0.03 0.00 0.02 0.00 0.00 55.36 54.81 1ils s GLN 14 Cb -0.10 -0.83 -0.04 0.00 1.00 0.00 0.00 33.01 33.04 1ils s GLN 14 CO 0.56 0.20 0.15 -0.06 -2.12 0.00 0.00 175.29 174.01 1ils s PHE 15 N -0.94 3.49 -2.00 0.91 0.08 -1.26 -1.07 117.98 117.19 1ils s PHE 15 Ca -0.00 0.35 0.10 0.00 0.12 0.00 0.00 56.93 57.50 1ils s PHE 15 Cb -0.08 -1.82 0.62 0.00 -0.57 0.00 0.00 43.02 41.16 1ils s PHE 15 CO 0.01 0.64 1.11 0.27 -0.10 0.00 0.00 175.22 177.15 1ils n ASN 16 N 1.20 0.00 -3.62 1.36 6.94 -0.13 -4.75 115.26 116.26 1ils n ASN 16 Ca -0.13 -0.89 -0.16 0.00 -0.02 0.00 0.00 54.58 53.38 1ils n ASN 16 Cb 0.53 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.88 1ils n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1ils s THR 17 N -2.00 0.01 -0.64 5.53 -1.32 -1.26 -4.99 115.64 110.97 1ils s THR 17 Ca 0.16 -0.09 0.10 0.00 -1.21 0.00 0.00 61.69 60.64 1ils s THR 17 Cb 0.07 -0.87 -0.07 0.00 -1.51 0.00 0.00 72.50 70.12 1ils s THR 17 CO 0.12 -0.05 0.50 0.59 -2.21 0.00 0.00 174.62 173.57 1ils n ASN 18 N 1.60 0.74 -3.73 8.08 5.03 -1.26 -4.82 115.26 120.89 1ils n ASN 18 Ca -0.18 -0.87 -0.12 0.00 0.87 0.00 0.00 54.58 54.28 1ils n ASN 18 Cb 0.56 0.81 -0.12 0.00 -1.02 0.00 0.00 39.78 40.01 1ils n ASN 18 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ils s ALA 19 N -1.75 -0.65 -0.01 5.41 0.00 -1.26 -1.24 121.76 122.26 1ils s ALA 19 Ca 0.05 1.05 0.08 0.00 0.00 0.00 0.00 51.96 53.15 1ils s ALA 19 Cb 0.08 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.52 1ils s ALA 19 CO 0.36 -0.20 -0.25 0.42 0.00 0.00 0.00 175.76 176.08 1ils s ILE 20 N 1.13 2.02 -0.05 0.00 1.01 -0.57 -4.99 121.20 119.75 1ils s ILE 20 Ca -0.08 -1.12 0.06 0.00 0.00 0.00 0.00 60.65 59.51 1ils s ILE 20 Cb -0.09 -1.68 -0.01 0.00 0.01 0.00 0.00 42.46 40.69 1ils s ILE 20 CO -0.08 0.54 -0.24 0.42 0.00 0.00 0.00 174.94 175.58 1ils s THR 21 N -0.62 1.94 -0.21 2.92 -4.23 -1.26 -2.55 115.64 111.62 1ils s THR 21 Ca 0.10 -1.01 -0.07 0.00 -1.18 0.00 0.00 61.69 59.53 1ils s THR 21 Cb -0.10 -1.64 -0.03 0.00 1.34 0.00 0.00 72.50 72.06 1ils s THR 21 CO -0.01 0.54 0.05 -0.69 -0.54 0.00 0.00 174.62 173.98 1ils s VAL 22 N -0.16 4.42 0.03 2.29 1.01 0.44 -4.94 120.40 123.49 1ils s VAL 22 Ca -0.03 -0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 1ils s VAL 22 Cb -0.13 -3.02 -0.08 0.00 0.00 0.00 0.00 36.38 33.15 1ils s VAL 22 CO 0.03 0.40 1.68 -0.62 0.00 0.00 0.00 175.10 176.59 1ils s ASP 23 N 1.02 6.61 0.00 3.32 -1.08 -1.26 0.17 116.67 125.46 1ils s ASP 23 Ca 0.04 2.43 0.23 0.00 -0.52 0.00 0.00 52.55 54.72 1ils s ASP 23 Cb -0.14 -2.55 1.38 0.00 -1.46 0.00 0.00 42.92 40.15 1ils s ASP 23 CO 0.03 -0.91 1.77 1.17 0.52 0.00 0.00 175.17 177.74 1ils n LYS 24 N 6.19 0.76 0.04 4.34 4.81 -1.25 -1.53 118.16 131.53 1ils n LYS 24 Ca 0.17 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.74 1ils n LYS 24 Cb 0.41 -1.47 0.50 0.00 0.02 0.00 0.00 35.03 34.49 1ils n LYS 24 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1ils n SER 25 N -0.97 0.37 -4.71 3.14 7.64 -1.26 -4.83 113.62 112.99 1ils n SER 25 Ca 0.17 0.49 -0.42 0.00 1.01 0.00 0.00 58.87 60.12 1ils n SER 25 Cb 0.08 -0.56 -0.03 0.00 -1.01 0.00 0.00 64.21 62.69 1ils n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ils h LYS 27 N 6.82 0.84 -5.11 0.00 3.64 -1.89 -3.42 116.57 117.46 1ils h LYS 27 Ca -0.41 -0.58 -0.39 0.00 -1.27 0.00 0.00 60.65 57.99 1ils h LYS 27 Cb 1.21 0.09 -0.14 0.00 -0.41 0.00 0.00 32.23 32.98 1ils h LYS 27 CO 0.80 1.21 -0.65 -0.65 -2.27 0.00 0.00 179.45 177.89 1ils s GLN 28 N -4.01 1.39 -0.07 1.90 -0.21 -1.26 -1.61 119.66 115.79 1ils s GLN 28 Ca -0.10 -1.72 -0.05 0.00 0.02 0.00 0.00 55.36 53.51 1ils s GLN 28 Cb 0.10 -0.64 0.03 0.00 1.00 0.00 0.00 33.01 33.49 1ils s GLN 28 CO 0.89 -0.12 0.18 0.12 -2.12 0.00 0.00 175.29 174.24 1ils s PHE 29 N -3.42 -0.21 0.01 0.91 5.36 -0.12 -4.80 117.98 115.72 1ils s PHE 29 Ca 0.30 0.53 0.02 0.00 -0.96 0.00 0.00 56.93 56.82 1ils s PHE 29 Cb 0.06 0.01 -0.04 0.00 -0.34 0.00 0.00 43.02 42.72 1ils s PHE 29 CO 0.10 -0.14 0.00 0.99 -1.46 0.00 0.00 175.22 174.71 1ils s THR 30 N 0.66 4.14 -0.15 0.12 2.01 -0.73 -0.91 115.64 120.78 1ils s THR 30 Ca -0.05 -0.65 0.01 0.00 0.31 0.00 0.00 61.69 61.31 1ils s THR 30 Cb -0.06 -2.87 0.02 0.00 0.01 0.00 0.00 72.50 69.60 1ils s THR 30 CO -0.03 0.34 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.37 1ils s VAL 31 N -1.12 1.75 -0.30 3.82 1.01 -0.37 -2.01 120.40 123.18 1ils s VAL 31 Ca 0.21 -0.76 -0.10 0.00 0.00 0.00 0.00 61.98 61.33 1ils s VAL 31 Cb -0.12 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 1ils s VAL 31 CO 0.11 0.49 0.15 0.20 0.00 0.00 0.00 175.10 176.05 1ils s ASN 32 N 1.24 5.55 -0.13 3.32 0.01 -0.48 -1.44 114.94 123.01 1ils s ASN 32 Ca 0.01 -0.45 -0.01 0.00 -0.71 0.00 0.00 52.86 51.70 1ils s ASN 32 Cb -0.14 -2.00 -0.02 0.00 0.41 0.00 0.00 41.25 39.50 1ils s ASN 32 CO -0.08 -0.17 -0.09 -0.22 -1.51 0.00 0.00 177.10 175.03 1ils s LEU 33 N 1.63 2.98 0.22 0.60 2.96 0.22 -0.44 118.68 126.84 1ils s LEU 33 Ca 0.05 -0.21 0.02 0.00 -0.22 0.00 0.00 54.13 53.78 1ils s LEU 33 Cb -0.17 -1.68 -0.05 0.00 0.50 0.00 0.00 46.19 44.79 1ils s LEU 33 CO 0.06 0.20 0.02 -0.94 -1.32 0.00 0.00 176.35 174.38 1ils s SER 34 N 0.14 1.46 -0.39 3.68 1.04 -0.22 -0.59 113.70 118.82 1ils s SER 34 Ca -0.04 -1.25 0.03 0.00 0.48 0.00 0.00 55.95 55.17 1ils s SER 34 Cb -0.14 0.08 0.11 0.00 0.10 0.00 0.00 66.02 66.17 1ils s SER 34 CO 0.04 -0.59 0.13 -2.28 0.98 0.00 0.00 173.24 171.52 1ils s HIS 35 N -3.59 3.04 0.86 5.02 2.46 -1.14 -2.13 115.29 119.83 1ils s HIS 35 Ca 0.29 -2.76 -0.12 0.00 0.47 0.00 0.00 55.06 52.95 1ils s HIS 35 Cb 0.06 -2.56 0.12 0.00 -0.13 0.00 0.00 32.58 30.07 1ils s HIS 35 CO 0.08 -0.86 1.18 -1.25 -2.47 0.00 0.00 174.74 171.42 1ils s PRO 36 N 0.66 1.29 0.00 2.88 0.04 -1.25 -0.57 135.00 138.05 1ils s PRO 36 Ca 0.13 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.84 1ils s PRO 36 Cb -0.21 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1ils s PRO 36 CO -0.08 -2.45 0.00 0.41 0.04 0.00 0.00 177.00 174.92 1ils n GLY 37 N 0.39 -1.44 0.00 0.56 0.00 -1.26 -3.75 105.19 99.69 1ils n GLY 37 Ca 0.13 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.92 1ils n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ils n ASN 38 N 0.00 0.78 -4.74 1.61 4.13 -1.26 -4.48 115.26 111.31 1ils n ASN 38 Ca 0.00 -1.22 -0.41 0.00 1.68 0.00 0.00 54.58 54.63 1ils n ASN 38 Cb 0.00 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.19 1ils n ASN 38 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1ils s LEU 39 N -0.22 4.55 0.85 3.41 1.43 -1.26 -4.89 118.68 122.55 1ils s LEU 39 Ca 0.00 1.92 -0.12 0.00 -1.03 0.00 0.00 54.13 54.90 1ils s LEU 39 Cb 0.00 -3.60 0.10 0.00 0.03 0.00 0.00 46.19 42.72 1ils s LEU 39 CO 0.00 -0.02 1.12 -2.16 0.23 0.00 0.00 176.35 175.51 1ils s PRO 40 N -0.50 1.63 0.30 1.29 0.04 -1.26 -1.95 135.00 134.55 1ils s PRO 40 Ca 0.45 0.48 0.04 0.00 0.04 0.00 0.00 61.00 62.02 1ils s PRO 40 Cb -0.26 -1.88 0.67 0.00 0.04 0.00 0.00 34.50 33.07 1ils s PRO 40 CO 0.32 -1.90 1.82 -0.22 0.04 0.00 0.00 177.00 177.06 1ils h LYS 41 N -1.29 0.84 0.00 4.56 3.64 -1.85 -0.65 116.57 121.82 1ils h LYS 41 Ca -0.49 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 58.81 1ils h LYS 41 Cb 1.30 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1ils h LYS 41 CO 0.60 0.55 -0.16 -2.95 -2.27 0.00 0.00 179.45 175.23 1ils h ASN 42 N 0.86 0.00 0.00 4.20 -1.07 -1.95 0.20 115.58 117.82 1ils h ASN 42 Ca 0.52 0.00 -0.32 0.00 0.07 0.00 0.00 56.30 56.57 1ils h ASN 42 Cb 0.68 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.87 1ils h ASN 42 CO -0.30 0.16 -2.23 0.52 0.07 0.00 0.00 177.43 175.65 1ils n VAL 43 N -3.35 1.23 -2.70 6.14 0.31 -0.90 -4.75 118.33 114.32 1ils n VAL 43 Ca -0.00 -0.59 -0.07 0.00 -0.01 0.00 0.00 64.34 63.68 1ils n VAL 43 Cb 0.37 -0.97 0.06 0.00 -0.91 0.00 0.00 33.84 32.39 1ils n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1ils n MET 44 N -2.93 1.27 -2.15 5.55 0.00 -0.30 -5.01 117.12 113.54 1ils n MET 44 Ca -0.35 -2.75 -0.36 0.00 0.00 0.00 0.00 57.70 54.25 1ils n MET 44 Cb 0.98 -0.85 0.01 0.00 0.00 0.00 0.00 33.22 33.36 1ils n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1ils s GLY 45 N -2.57 2.69 -0.00 -5.12 0.00 0.68 -4.75 107.32 98.26 1ils s GLY 45 Ca 0.24 0.92 0.01 0.00 0.00 0.00 0.00 44.72 45.89 1ils s GLY 45 CO -0.02 1.30 -0.03 0.30 0.00 0.00 0.00 173.10 174.65 1ils s HIS 46 N -1.67 0.24 0.28 1.90 3.76 -0.66 -4.69 115.29 114.45 1ils s HIS 46 Ca 0.74 -0.05 0.03 0.00 -0.15 0.00 0.00 55.06 55.64 1ils s HIS 46 Cb -0.27 -0.15 -0.06 0.00 1.11 0.00 0.00 32.58 33.21 1ils s HIS 46 CO 0.30 -0.00 0.04 0.54 -0.85 0.00 0.00 174.74 174.77 1ils s ASN 47 N -0.06 1.95 -0.16 1.40 2.20 -1.26 -0.75 114.94 118.26 1ils s ASN 47 Ca 0.01 -1.32 -0.00 0.00 -0.94 0.00 0.00 52.86 50.60 1ils s ASN 47 Cb -0.01 -0.00 0.04 0.00 -2.00 0.00 0.00 41.25 39.28 1ils s ASN 47 CO -0.00 -0.59 -0.06 0.86 -2.94 0.00 0.00 177.10 174.36 1ils s TRP 48 N -3.43 1.75 -0.05 1.54 -0.00 -1.26 -4.07 118.94 113.43 1ils s TRP 48 Ca 0.34 -1.08 0.06 0.00 -0.00 0.00 0.00 56.10 55.41 1ils s TRP 48 Cb 0.07 -1.34 -0.01 0.00 -0.00 0.00 0.00 33.47 32.19 1ils s TRP 48 CO 0.13 -0.61 -0.23 0.08 -0.00 0.00 0.00 176.95 176.31 1ils s VAL 49 N 1.62 1.90 -0.13 5.86 1.01 -0.51 -1.35 120.40 128.79 1ils s VAL 49 Ca 0.01 -0.98 -0.03 0.00 0.00 0.00 0.00 61.98 60.98 1ils s VAL 49 Cb -0.15 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 1ils s VAL 49 CO -0.08 0.53 -0.04 -0.22 0.00 0.00 0.00 175.10 175.29 1ils s LEU 50 N -0.14 3.26 0.00 3.92 2.96 0.81 -1.50 118.68 127.99 1ils s LEU 50 Ca -0.03 -0.09 -0.01 0.00 -0.22 0.00 0.00 54.13 53.79 1ils s LEU 50 Cb -0.13 -1.77 0.00 0.00 0.50 0.00 0.00 46.19 44.80 1ils s LEU 50 CO 0.03 0.22 0.18 -1.54 -1.32 0.00 0.00 176.35 173.92 1ils n SER 51 N 3.18 -0.49 -4.89 3.68 3.41 -0.73 -0.73 113.62 117.06 1ils n SER 51 Ca -0.18 -1.68 -0.30 0.00 -0.26 0.00 0.00 58.87 56.45 1ils n SER 51 Cb 0.53 0.91 0.04 0.00 -0.26 0.00 0.00 64.21 65.43 1ils n SER 51 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1ils s THR 52 N -2.57 3.76 0.26 6.66 -4.23 -1.26 -1.71 115.64 116.55 1ils s THR 52 Ca 0.10 0.50 -0.04 0.00 -1.18 0.00 0.00 61.69 61.07 1ils s THR 52 Cb -0.00 -3.55 0.18 0.00 1.34 0.00 0.00 72.50 70.47 1ils s THR 52 CO 0.07 -0.71 1.85 0.00 -0.54 0.00 0.00 174.62 175.29 1ils h ALA 53 N -0.52 1.21 0.00 3.99 0.00 -1.04 -2.35 119.26 120.55 1ils h ALA 53 Ca -0.45 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1ils h ALA 53 Cb 1.24 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1ils h ALA 53 CO 0.63 0.59 0.00 0.00 0.00 0.00 0.00 179.25 180.47 1ils h ALA 54 N 1.32 1.00 -0.00 0.00 0.00 -1.94 -3.17 119.26 116.48 1ils h ALA 54 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1ils h ALA 54 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ils h ALA 54 CO -0.02 0.00 -0.68 -0.25 0.00 0.00 0.00 179.25 178.29 1ils n ASP 55 N -2.95 0.77 -0.21 0.00 8.00 -0.90 -4.48 116.55 116.78 1ils n ASP 55 Ca 0.02 -0.61 -0.02 0.00 0.71 0.00 0.00 54.79 54.89 1ils n ASP 55 Cb 0.35 0.55 0.09 0.00 -0.02 0.00 0.00 41.12 42.09 1ils n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1ils h MET 56 N 0.13 0.55 -0.27 -1.24 1.85 -1.49 -1.84 114.93 112.63 1ils h MET 56 Ca 0.00 -0.03 -0.05 0.00 -0.61 0.00 0.00 59.70 59.01 1ils h MET 56 Cb 0.51 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 32.41 1ils h MET 56 CO 0.00 0.36 -0.02 0.37 -0.40 0.00 0.00 176.91 177.23 1ils h GLN 57 N 0.57 0.49 -0.43 0.39 5.75 -1.82 -0.73 115.11 119.33 1ils h GLN 57 Ca 0.28 -0.16 -0.07 0.00 -0.15 0.00 0.00 58.65 58.55 1ils h GLN 57 Cb 0.23 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 1ils h GLN 57 CO -0.21 0.66 -0.01 0.78 -2.65 0.00 0.00 178.83 177.40 1ils h GLY 58 N 0.26 0.75 0.92 2.39 0.00 -1.83 0.11 103.07 105.67 1ils h GLY 58 Ca 0.07 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 46.87 1ils h GLY 58 CO 0.02 0.45 0.06 -2.08 0.00 0.00 0.00 176.54 174.99 1ils h VAL 59 N 0.65 1.24 -0.33 4.60 2.07 -0.91 -0.60 116.25 122.97 1ils h VAL 59 Ca 0.13 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 1ils h VAL 59 Cb 0.42 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1ils h VAL 59 CO 0.02 0.28 0.13 0.58 0.02 0.00 0.00 177.57 178.61 1ils h VAL 60 N 0.44 1.18 -0.19 2.57 2.07 -0.84 0.28 116.25 121.77 1ils h VAL 60 Ca 0.11 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 1ils h VAL 60 Cb 0.36 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1ils h VAL 60 CO 0.01 0.20 0.11 0.74 0.02 0.00 0.00 177.57 178.64 1ils h THR 61 N 0.39 1.10 -0.02 2.57 2.02 -0.89 -1.04 112.91 117.04 1ils h THR 61 Ca 0.11 -0.26 -0.12 0.00 0.77 0.00 0.00 66.41 66.91 1ils h THR 61 Cb 0.18 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1ils h THR 61 CO -0.01 0.09 -0.56 0.44 0.37 0.00 0.00 175.52 175.86 1ils h ASP 62 N 0.21 0.06 -0.50 4.18 3.32 -1.09 -2.89 116.42 119.71 1ils h ASP 62 Ca 0.07 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 1ils h ASP 62 Cb 0.06 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1ils h ASP 62 CO -0.01 0.61 0.21 1.23 -1.72 0.00 0.00 179.24 179.56 1ils h GLY 63 N 1.61 0.79 0.73 2.75 0.00 -0.25 -2.78 103.07 105.92 1ils h GLY 63 Ca -0.00 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 1ils h GLY 63 CO 0.08 0.40 -0.28 1.98 0.00 0.00 0.00 176.54 178.72 1ils h MET 64 N 0.66 -0.58 -0.38 4.80 1.85 -1.05 -1.96 114.93 118.28 1ils h MET 64 Ca 0.17 0.04 0.11 0.00 -0.61 0.00 0.00 59.70 59.41 1ils h MET 64 Cb 0.17 0.13 -0.02 0.00 0.43 0.00 0.00 31.60 32.32 1ils h MET 64 CO -0.02 -0.39 0.36 0.00 -0.40 0.00 0.00 176.91 176.46 1ils h ALA 65 N -0.01 2.13 0.00 0.39 0.00 -1.50 -1.57 119.26 118.71 1ils h ALA 65 Ca -0.02 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1ils h ALA 65 Cb 0.54 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1ils h ALA 65 CO -0.04 -0.55 -0.32 0.77 0.00 0.00 0.00 179.25 179.12 1ils h SER 66 N 0.00 0.00 -3.95 0.00 0.02 -1.06 -3.49 113.55 105.06 1ils h SER 66 Ca 0.18 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.16 1ils h SER 66 Cb 0.89 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 1ils h SER 66 CO -0.00 0.32 -0.08 0.61 -1.14 0.00 0.00 176.83 176.54 1ils n GLY 67 N -0.39 -1.98 0.32 -3.77 0.00 -0.59 -3.95 105.19 94.84 1ils n GLY 67 Ca -0.02 -1.47 0.14 0.00 0.00 0.00 0.00 46.02 44.68 1ils n GLY 67 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1ils h LEU 68 N -0.12 0.46 -1.09 0.99 8.10 -1.92 0.24 115.31 121.97 1ils h LEU 68 Ca -0.01 0.14 -0.00 0.00 0.11 0.00 0.00 57.88 58.12 1ils h LEU 68 Cb 0.12 0.09 -0.04 0.00 -0.44 0.00 0.00 40.66 40.39 1ils h LEU 68 CO 0.00 0.05 0.50 -2.24 -4.11 0.00 0.00 178.44 172.65 1ils h ASP 69 N 0.48 0.99 -0.38 0.17 2.03 -2.02 -2.06 116.42 115.63 1ils h ASP 69 Ca 0.58 -0.05 0.00 0.00 -0.73 0.00 0.00 57.03 56.83 1ils h ASP 69 Cb 1.09 -0.25 0.00 0.00 -0.83 0.00 0.00 39.33 39.34 1ils h ASP 69 CO -0.50 0.76 0.00 0.29 -1.03 0.00 0.00 179.24 178.76 1ils n LYS 70 N -4.37 2.86 -2.89 4.15 5.02 -0.06 -4.85 118.16 118.01 1ils n LYS 70 Ca 0.09 -1.78 -0.20 0.00 -2.02 0.00 0.00 58.31 54.40 1ils n LYS 70 Cb 0.06 -1.74 0.01 0.00 -0.02 0.00 0.00 35.03 33.34 1ils n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1ils n ASP 71 N 0.53 -4.90 -2.78 4.39 9.92 -0.77 -2.19 116.55 120.75 1ils n ASP 71 Ca 0.16 -0.16 -0.19 0.00 -0.53 0.00 0.00 54.79 54.07 1ils n ASP 71 Cb 0.66 -4.04 0.00 0.00 -0.64 0.00 0.00 41.12 37.10 1ils n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1ils n TYR 72 N -4.01 -1.55 -4.56 1.24 4.01 -0.41 -4.81 117.16 107.05 1ils n TYR 72 Ca -0.11 0.24 -0.22 0.00 -0.16 0.00 0.00 57.90 57.64 1ils n TYR 72 Cb 0.61 -3.54 -0.14 0.00 -0.31 0.00 0.00 39.34 35.95 1ils n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1ils s LEU 73 N -6.18 2.10 0.00 7.72 1.43 -0.93 -4.03 118.68 118.79 1ils s LEU 73 Ca 0.16 -0.37 -0.30 0.00 -1.03 0.00 0.00 54.13 52.59 1ils s LEU 73 Cb -0.08 -0.73 -0.05 0.00 0.03 0.00 0.00 46.19 45.35 1ils s LEU 73 CO 0.20 0.13 1.30 -0.75 0.23 0.00 0.00 176.35 177.46 1ils s LYS 74 N -0.73 4.33 0.24 1.70 2.20 -1.26 -4.81 119.74 121.41 1ils s LYS 74 Ca 0.04 1.85 -0.31 0.00 -0.36 0.00 0.00 55.97 57.19 1ils s LYS 74 Cb -0.07 -3.50 -0.12 0.00 -1.51 0.00 0.00 37.83 32.63 1ils s LYS 74 CO 0.00 -0.47 1.60 -2.30 -0.36 0.00 0.00 175.35 173.83 1ils n PRO 75 N 4.95 2.55 -3.68 4.03 -0.02 -1.26 -2.38 135.00 139.18 1ils n PRO 75 Ca 0.12 0.91 -0.22 0.00 -2.02 0.00 0.00 63.50 62.29 1ils n PRO 75 Cb 0.45 -2.69 0.04 0.00 -0.02 0.00 0.00 33.50 31.28 1ils n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1ils n ASP 76 N 2.84 -2.19 -4.69 2.55 8.00 -1.26 -4.91 116.55 116.88 1ils n ASP 76 Ca 0.12 -0.76 -0.42 0.00 0.71 0.00 0.00 54.79 54.44 1ils n ASP 76 Cb 0.34 -4.27 -0.03 0.00 -0.02 0.00 0.00 41.12 37.15 1ils n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ils s ASP 77 N -4.14 7.14 0.50 -2.24 -1.08 -1.00 -4.92 116.67 110.94 1ils s ASP 77 Ca 0.14 1.77 0.30 0.00 -0.52 0.00 0.00 52.55 54.24 1ils s ASP 77 Cb -0.07 -2.56 1.05 0.00 -1.46 0.00 0.00 42.92 39.88 1ils s ASP 77 CO 0.80 -0.49 1.87 0.77 0.52 0.00 0.00 175.17 178.63 1ils h SER 78 N 7.17 0.00 1.05 -0.34 4.64 -1.91 -3.03 113.55 121.13 1ils h SER 78 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1ils h SER 78 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1ils h SER 78 CO 0.84 0.00 -0.22 0.54 -0.87 0.00 0.00 176.83 177.12 1ils n ARG 79 N -3.05 0.16 -2.83 4.77 1.74 -1.26 -4.79 116.66 111.40 1ils n ARG 79 Ca 0.02 0.09 -0.42 0.00 -0.77 0.00 0.00 57.85 56.77 1ils n ARG 79 Cb 0.37 -1.65 -0.04 0.00 -1.02 0.00 0.00 32.46 30.13 1ils n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ils s VAL 80 N -3.07 4.80 0.07 1.55 1.01 -1.15 -4.52 120.40 119.08 1ils s VAL 80 Ca 0.11 1.70 -0.03 0.00 0.00 0.00 0.00 61.98 63.76 1ils s VAL 80 Cb 0.15 -4.17 -0.28 0.00 0.00 0.00 0.00 36.38 32.08 1ils s VAL 80 CO 0.62 -0.09 1.10 0.40 0.00 0.00 0.00 175.10 177.14 1ils h ILE 81 N 5.40 1.45 -1.59 2.22 2.04 -1.24 -3.48 117.51 122.32 1ils h ILE 81 Ca -0.23 -3.05 0.06 0.00 1.00 0.00 0.00 64.86 62.65 1ils h ILE 81 Cb 1.09 2.91 -0.26 0.00 -0.74 0.00 0.00 36.82 39.82 1ils h ILE 81 CO 0.90 0.88 0.47 0.00 0.00 0.00 0.00 178.15 180.40 1ils s ALA 82 N -2.65 -1.97 -0.03 1.87 0.00 -1.24 -4.98 121.76 112.76 1ils s ALA 82 Ca -0.04 1.85 -0.18 0.00 0.00 0.00 0.00 51.96 53.59 1ils s ALA 82 Cb 0.07 -1.39 0.03 0.00 0.00 0.00 0.00 23.12 21.84 1ils s ALA 82 CO 0.87 -0.24 0.38 -3.38 0.00 0.00 0.00 175.76 173.40 1ils s HIS 83 N 0.12 -0.28 0.74 0.00 -3.43 -1.26 -0.13 115.29 111.05 1ils s HIS 83 Ca 0.03 0.46 -0.04 0.00 -0.80 0.00 0.00 55.06 54.71 1ils s HIS 83 Cb -0.05 0.16 0.12 0.00 -1.43 0.00 0.00 32.58 31.38 1ils s HIS 83 CO -0.06 -0.42 1.03 0.95 -2.00 0.00 0.00 174.74 174.24 1ils s THR 84 N -1.23 2.19 0.83 -5.38 -4.23 -0.46 -4.86 115.64 102.51 1ils s THR 84 Ca -0.12 -0.44 -0.12 0.00 -1.18 0.00 0.00 61.69 59.83 1ils s THR 84 Cb -0.04 -2.75 0.09 0.00 1.34 0.00 0.00 72.50 71.14 1ils s THR 84 CO 0.05 0.00 1.10 -0.54 -0.54 0.00 0.00 174.62 174.69 1ils s LYS 85 N -5.25 1.77 -0.05 3.99 1.02 -1.26 -4.68 119.74 115.27 1ils s LYS 85 Ca 0.66 0.65 -0.27 0.00 0.02 0.00 0.00 55.97 57.03 1ils s LYS 85 Cb -0.06 -1.88 -0.03 0.00 -0.52 0.00 0.00 37.83 35.34 1ils s LYS 85 CO 0.45 -1.84 0.87 -1.17 -0.92 0.00 0.00 175.35 172.74 1ils s LEU 86 N -5.92 4.32 0.17 3.17 2.96 -1.26 -4.43 118.68 117.68 1ils s LEU 86 Ca 0.62 1.42 0.10 0.00 -0.22 0.00 0.00 54.13 56.06 1ils s LEU 86 Cb -0.15 -3.36 -0.04 0.00 0.50 0.00 0.00 46.19 43.14 1ils s LEU 86 CO 0.55 -0.25 -0.23 0.27 -1.32 0.00 0.00 176.35 175.37 1ils s ILE 87 N 1.18 2.16 0.58 6.68 -4.36 0.07 -4.89 121.20 122.61 1ils s ILE 87 Ca 0.45 -1.91 0.08 0.00 -0.26 0.00 0.00 60.65 59.01 1ils s ILE 87 Cb -0.19 -1.98 0.08 0.00 1.25 0.00 0.00 42.46 41.61 1ils s ILE 87 CO 0.22 -0.12 0.67 -0.83 0.24 0.00 0.00 174.94 175.12 1ils s GLY 88 N -2.48 1.95 0.23 6.27 0.00 -1.26 -1.65 107.32 110.37 1ils s GLY 88 Ca 0.17 -1.84 -0.31 0.00 0.00 0.00 0.00 44.72 42.74 1ils s GLY 88 CO 0.08 -1.79 1.22 -1.14 0.00 0.00 0.00 173.10 171.47 1ils n SER 89 N -2.11 1.88 0.00 1.64 3.41 -0.82 -2.36 113.62 115.25 1ils n SER 89 Ca 0.10 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.86 1ils n SER 89 Cb 0.63 -1.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 1ils n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ils n GLY 90 N 1.84 1.47 3.99 5.00 0.00 0.26 -4.96 105.19 112.78 1ils n GLY 90 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 1ils n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ils s GLU 91 N -0.07 2.55 0.02 1.61 2.02 -0.99 -4.95 118.70 118.88 1ils s GLU 91 Ca 0.00 -0.99 -0.07 0.00 0.02 0.00 0.00 54.97 53.93 1ils s GLU 91 Cb 0.00 -2.56 -0.00 0.00 0.10 0.00 0.00 34.13 31.66 1ils s GLU 91 CO 0.00 -0.65 0.13 0.21 0.02 0.00 0.00 175.26 174.98 1ils s LYS 92 N -4.66 0.55 -0.27 1.61 2.47 -1.26 -2.87 119.74 115.30 1ils s LYS 92 Ca 0.58 -0.53 -0.22 0.00 -1.56 0.00 0.00 55.97 54.24 1ils s LYS 92 Cb -0.10 0.22 0.08 0.00 -1.46 0.00 0.00 37.83 36.57 1ils s LYS 92 CO 0.37 -0.14 0.73 0.34 0.16 0.00 0.00 175.35 176.82 1ils s ASP 93 N -1.70 -0.80 0.19 1.43 2.15 0.25 -4.99 116.67 113.20 1ils s ASP 93 Ca -0.11 1.43 0.08 0.00 0.43 0.00 0.00 52.55 54.38 1ils s ASP 93 Cb -0.05 1.41 -0.04 0.00 -0.30 0.00 0.00 42.92 43.94 1ils s ASP 93 CO -0.01 -0.24 -0.02 -0.44 -0.17 0.00 0.00 175.17 174.29 1ils s SER 94 N 0.85 4.61 -0.04 -0.34 0.01 -1.26 -0.61 113.70 116.93 1ils s SER 94 Ca -0.04 -0.48 -0.00 0.00 1.31 0.00 0.00 55.95 56.74 1ils s SER 94 Cb -0.05 -0.92 0.03 0.00 0.21 0.00 0.00 66.02 65.29 1ils s SER 94 CO -0.07 0.08 0.01 0.54 0.41 0.00 0.00 173.24 174.21 1ils s VAL 95 N -1.81 0.16 -0.16 3.43 0.11 -0.52 -4.89 120.40 116.72 1ils s VAL 95 Ca 0.27 0.15 -0.05 0.00 -2.93 0.00 0.00 61.98 59.42 1ils s VAL 95 Cb -0.09 -0.29 -0.03 0.00 -1.53 0.00 0.00 36.38 34.44 1ils s VAL 95 CO 0.18 0.17 0.01 -0.89 -3.33 0.00 0.00 175.10 171.23 1ils s THR 96 N 1.34 4.30 0.18 5.04 2.01 -1.26 -1.24 115.64 126.02 1ils s THR 96 Ca -0.05 -0.21 0.06 0.00 0.31 0.00 0.00 61.69 61.80 1ils s THR 96 Cb -0.13 -2.90 -0.05 0.00 0.01 0.00 0.00 72.50 69.43 1ils s THR 96 CO -0.02 0.50 -0.13 0.72 -0.69 0.00 0.00 174.62 174.99 1ils s PHE 97 N 0.20 1.53 0.07 4.92 -0.71 -0.09 -4.90 117.98 119.00 1ils s PHE 97 Ca 0.01 -0.64 -0.31 0.00 -1.04 0.00 0.00 56.93 54.95 1ils s PHE 97 Cb -0.13 -0.73 -0.07 0.00 -1.21 0.00 0.00 43.02 40.88 1ils s PHE 97 CO 0.02 0.25 1.38 -0.51 -1.34 0.00 0.00 175.22 175.01 1ils s ASP 98 N -3.24 6.86 0.42 1.98 1.11 -1.26 -0.94 116.67 121.59 1ils s ASP 98 Ca 0.20 2.23 0.21 0.00 0.18 0.00 0.00 52.55 55.37 1ils s ASP 98 Cb 0.00 -2.58 0.89 0.00 1.07 0.00 0.00 42.92 42.31 1ils s ASP 98 CO 0.04 -0.66 1.83 0.58 1.18 0.00 0.00 175.17 178.15 1ils h VAL 99 N 4.49 0.81 0.00 -1.27 2.07 -1.55 -2.15 116.25 118.65 1ils h VAL 99 Ca -0.41 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 65.91 1ils h VAL 99 Cb 1.20 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 1ils h VAL 99 CO 0.87 0.29 0.00 0.77 0.02 0.00 0.00 177.57 179.52 1ils h SER 100 N 0.00 0.00 0.13 0.57 4.64 -1.88 -1.86 113.55 115.15 1ils h SER 100 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ils h SER 100 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1ils h SER 100 CO 0.04 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.29 1ils n LYS 101 N -2.43 0.86 -4.34 4.77 5.02 -0.81 -4.77 118.16 116.46 1ils n LYS 101 Ca -0.01 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.02 1ils n LYS 101 Cb 0.07 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.46 1ils n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ils s LEU 102 N -2.13 2.33 0.19 -0.35 1.43 -0.70 -5.10 118.68 114.35 1ils s LEU 102 Ca 0.43 -0.74 0.07 0.00 -1.03 0.00 0.00 54.13 52.86 1ils s LEU 102 Cb 0.21 -1.02 -0.05 0.00 0.03 0.00 0.00 46.19 45.37 1ils s LEU 102 CO 0.39 0.09 -0.14 -1.59 0.23 0.00 0.00 176.35 175.33 1ils s LYS 103 N -2.13 1.28 0.43 1.70 -2.85 -1.26 -5.01 119.74 111.91 1ils s LYS 103 Ca 0.11 -1.55 -0.23 0.00 -1.00 0.00 0.00 55.97 53.30 1ils s LYS 103 Cb -0.09 -1.06 -0.08 0.00 -2.06 0.00 0.00 37.83 34.54 1ils s LYS 103 CO 0.06 0.18 1.13 -1.83 0.10 0.00 0.00 175.35 174.98 1ils s GLU 104 N -3.58 3.92 0.00 1.78 -1.05 -1.26 -3.40 118.70 115.11 1ils s GLU 104 Ca 0.21 1.70 0.00 0.00 -0.15 0.00 0.00 54.97 56.73 1ils s GLU 104 Cb -0.01 -2.48 0.00 0.00 -0.44 0.00 0.00 34.13 31.20 1ils s GLU 104 CO 0.06 -0.39 0.00 0.41 0.95 0.00 0.00 175.26 176.28 1ils n GLY 105 N 0.43 2.52 3.87 -3.83 0.00 -1.26 -4.99 105.19 101.93 1ils n GLY 105 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1ils n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ils s GLU 106 N -0.01 3.79 -0.22 1.61 2.12 -1.22 -5.05 118.70 119.72 1ils s GLU 106 Ca 0.00 0.50 -0.10 0.00 0.36 0.00 0.00 54.97 55.73 1ils s GLU 106 Cb 0.00 -2.37 -0.05 0.00 0.26 0.00 0.00 34.13 31.97 1ils s GLU 106 CO 0.00 -0.05 0.14 -0.65 -0.54 0.00 0.00 175.26 174.16 1ils s GLN 107 N -3.85 4.11 0.11 4.30 -1.52 -1.26 -4.87 119.66 116.68 1ils s GLN 107 Ca 0.52 -0.26 0.10 0.00 -1.95 0.00 0.00 55.36 53.77 1ils s GLN 107 Cb -0.10 -3.46 -0.04 0.00 -0.22 0.00 0.00 33.01 29.19 1ils s GLN 107 CO 0.31 0.18 -0.24 0.71 -0.25 0.00 0.00 175.29 175.99 1ils s TYR 108 N 0.71 2.09 -0.03 0.91 2.02 -1.21 -0.45 117.35 121.39 1ils s TYR 108 Ca 0.07 -0.40 0.03 0.00 -0.37 0.00 0.00 57.07 56.41 1ils s TYR 108 Cb -0.12 -1.14 0.00 0.00 -0.40 0.00 0.00 41.96 40.30 1ils s TYR 108 CO 0.01 0.27 -0.12 -1.64 -1.57 0.00 0.00 175.55 172.50 1ils s MET 109 N -1.95 1.31 0.13 -0.62 -1.94 -0.69 -1.13 119.30 114.40 1ils s MET 109 Ca 0.11 -0.43 0.04 0.00 -1.71 0.00 0.00 55.69 53.70 1ils s MET 109 Cb -0.10 -1.17 -0.04 0.00 2.01 0.00 0.00 34.83 35.53 1ils s MET 109 CO 0.05 0.17 0.11 -0.59 -0.01 0.00 0.00 175.02 174.75 1ils s PHE 110 N 0.13 3.14 0.23 -0.03 -0.71 -0.38 -1.77 117.98 118.58 1ils s PHE 110 Ca -0.03 0.01 -0.22 0.00 -1.04 0.00 0.00 56.93 55.65 1ils s PHE 110 Cb -0.10 -1.54 0.06 0.00 -1.21 0.00 0.00 43.02 40.23 1ils s PHE 110 CO 0.01 0.52 0.91 -0.59 -1.34 0.00 0.00 175.22 174.73 1ils s PHE 111 N -1.62 -0.04 -0.10 3.49 -0.71 -0.56 -1.35 117.98 117.09 1ils s PHE 111 Ca 0.30 -0.39 -0.00 0.00 -1.04 0.00 0.00 56.93 55.80 1ils s PHE 111 Cb -0.11 0.71 -0.03 0.00 -1.21 0.00 0.00 43.02 42.38 1ils s PHE 111 CO 0.23 -1.06 -0.08 0.00 -1.34 0.00 0.00 175.22 172.97 1ils n THR 113 N 2.80 0.00 -1.65 0.00 -2.24 -1.26 -3.50 114.28 108.42 1ils n THR 113 Ca -0.18 -0.40 -0.49 0.00 -2.27 0.00 0.00 64.05 60.72 1ils n THR 113 Cb 0.53 1.13 -0.05 0.00 -2.10 0.00 0.00 70.33 69.83 1ils n THR 113 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1ils n PHE 114 N 0.85 2.07 -1.71 4.78 -0.00 -1.26 -4.59 117.46 117.59 1ils n PHE 114 Ca 0.15 0.34 -0.62 0.00 -0.00 0.00 0.00 57.45 57.32 1ils n PHE 114 Cb 0.51 -2.50 -0.08 0.00 -0.00 0.00 0.00 39.48 37.40 1ils n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1ils n PRO 115 N 3.95 0.65 0.00 -7.13 -0.02 -1.26 -1.07 135.00 130.12 1ils n PRO 115 Ca 0.19 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1ils n PRO 115 Cb 0.25 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 1ils n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ils n GLY 116 N 4.29 2.43 0.16 -1.23 0.00 -1.26 -4.91 105.19 104.67 1ils n GLY 116 Ca 0.30 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.44 1ils n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1ils h HIS 117 N 0.00 0.00 0.00 1.61 3.86 -1.37 -3.28 115.15 115.96 1ils h HIS 117 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1ils h HIS 117 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1ils h HIS 117 CO 0.00 0.00 -0.19 -1.13 0.86 0.00 0.00 177.93 177.47 1ils n SER 118 N -2.71 0.75 -0.32 2.45 3.41 -1.23 -0.58 113.62 115.39 1ils n SER 118 Ca 0.05 0.43 0.08 0.00 -0.26 0.00 0.00 58.87 59.17 1ils n SER 118 Cb 0.49 -0.49 0.29 0.00 -0.26 0.00 0.00 64.21 64.24 1ils n SER 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ils h ALA 119 N 2.54 1.63 0.01 7.33 0.00 -1.91 -3.30 119.26 125.56 1ils h ALA 119 Ca 0.00 0.02 -0.38 0.00 0.00 0.00 0.00 54.91 54.54 1ils h ALA 119 Cb 0.73 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 1ils h ALA 119 CO 0.00 0.14 -2.40 1.28 0.00 0.00 0.00 179.25 178.27 1ils n LEU 120 N -4.59 2.49 -4.33 0.00 7.99 -0.98 -4.85 117.00 112.74 1ils n LEU 120 Ca 0.18 -0.07 -0.47 0.00 -0.01 0.00 0.00 56.01 55.64 1ils n LEU 120 Cb 0.38 -0.72 -0.02 0.00 -0.11 0.00 0.00 43.42 42.95 1ils n LEU 120 CO 0.29 0.86 0.42 -0.04 -1.51 0.00 0.00 177.39 177.41 1ils s MET 121 N -2.52 3.60 0.01 3.23 -1.94 0.26 -4.79 119.30 117.13 1ils s MET 121 Ca -0.30 -2.45 -0.28 0.00 -1.71 0.00 0.00 55.69 50.96 1ils s MET 121 Cb 0.08 -4.43 0.09 0.00 2.01 0.00 0.00 34.83 32.58 1ils s MET 121 CO 0.66 -1.29 0.75 -1.59 -0.01 0.00 0.00 175.02 173.53 1ils s LYS 122 N 0.19 1.00 0.39 2.03 0.00 -1.26 -2.63 119.74 119.47 1ils s LYS 122 Ca 0.18 -0.10 -0.14 0.00 0.00 0.00 0.00 55.97 55.91 1ils s LYS 122 Cb -0.10 0.47 0.05 0.00 0.00 0.00 0.00 37.83 38.25 1ils s LYS 122 CO -0.09 -0.38 0.77 0.20 0.00 0.00 0.00 175.35 175.85 1ils s GLY 123 N -1.92 0.55 -0.05 0.59 0.00 -0.46 -4.86 107.32 101.17 1ils s GLY 123 Ca -0.03 -0.88 -0.01 0.00 0.00 0.00 0.00 44.72 43.80 1ils s GLY 123 CO -0.02 -0.41 0.03 -0.51 0.00 0.00 0.00 173.10 172.19 1ils s THR 124 N -2.20 4.44 0.05 0.90 -4.23 -0.37 -1.25 115.64 112.98 1ils s THR 124 Ca 0.17 -0.36 0.09 0.00 -1.18 0.00 0.00 61.69 60.42 1ils s THR 124 Cb -0.05 -2.94 -0.03 0.00 1.34 0.00 0.00 72.50 70.82 1ils s THR 124 CO 0.13 0.48 -0.26 -0.22 -0.54 0.00 0.00 174.62 174.22 1ils s LEU 125 N -1.28 2.23 0.02 4.79 0.20 -0.28 -1.51 118.68 122.84 1ils s LEU 125 Ca 0.17 -0.59 -0.07 0.00 0.69 0.00 0.00 54.13 54.33 1ils s LEU 125 Cb -0.12 -1.30 -0.00 0.00 -0.43 0.00 0.00 46.19 44.34 1ils s LEU 125 CO 0.07 0.25 0.14 0.28 -0.29 0.00 0.00 176.35 176.80 1ils s THR 126 N -0.84 0.10 0.26 3.68 -1.32 -1.06 -3.31 115.64 113.15 1ils s THR 126 Ca 0.12 -0.80 -0.29 0.00 -1.21 0.00 0.00 61.69 59.51 1ils s THR 126 Cb -0.10 -0.60 -0.09 0.00 -1.51 0.00 0.00 72.50 70.20 1ils s THR 126 CO 0.03 -0.44 0.94 -0.76 -2.21 0.00 0.00 174.62 172.17 1ils s LEU 127 N -1.64 4.56 0.00 9.08 1.43 -1.26 -0.42 118.68 130.43 1ils s LEU 127 Ca -0.11 1.91 0.00 0.00 -1.03 0.00 0.00 54.13 54.89 1ils s LEU 127 Cb -0.05 -3.72 0.00 0.00 0.03 0.00 0.00 46.19 42.45 1ils s LEU 127 CO -0.00 0.10 0.22 1.17 0.23 0.00 0.00 176.35 178.06