#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ilu s GLU 2 N 0.00 4.49 0.00 0.00 2.12 -1.26 -3.40 118.70 120.65 1ilu s GLU 2 Ca 0.00 1.80 0.00 0.00 0.36 0.00 0.00 54.97 57.13 1ilu s GLU 2 Cb 0.00 -3.28 0.00 0.00 0.26 0.00 0.00 34.13 31.11 1ilu s GLU 2 CO 0.00 -0.11 0.00 0.00 -0.54 0.00 0.00 175.26 174.61 1ilu s SER 4 N -2.08 0.02 -0.03 0.00 1.04 -1.22 -1.72 113.70 109.71 1ilu s SER 4 Ca 0.00 -0.46 -0.11 0.00 0.48 0.00 0.00 55.95 55.86 1ilu s SER 4 Cb 0.00 0.34 0.02 0.00 0.10 0.00 0.00 66.02 66.48 1ilu s SER 4 CO 0.00 -0.68 0.24 0.54 0.98 0.00 0.00 173.24 174.33 1ilu s VAL 5 N -3.30 0.05 -0.22 5.02 0.11 -0.47 0.22 120.40 121.80 1ilu s VAL 5 Ca 0.00 -0.44 -0.05 0.00 -2.93 0.00 0.00 61.98 58.57 1ilu s VAL 5 Cb 0.02 -0.50 -0.01 0.00 -1.53 0.00 0.00 36.38 34.35 1ilu s VAL 5 CO -0.08 -0.24 -0.02 -1.81 -3.33 0.00 0.00 175.10 169.62 1ilu s ASP 6 N -1.01 4.50 0.04 3.54 1.01 -1.26 -0.53 116.67 122.95 1ilu s ASP 6 Ca -0.11 -0.34 0.08 0.00 0.71 0.00 0.00 52.55 52.89 1ilu s ASP 6 Cb -0.05 -1.78 -0.03 0.00 1.01 0.00 0.00 42.92 42.07 1ilu s ASP 6 CO 0.03 -0.02 -0.22 -0.51 0.21 0.00 0.00 175.17 174.66 1ilu s ILE 7 N 1.46 2.50 0.04 0.77 1.10 0.22 -4.97 121.20 122.33 1ilu s ILE 7 Ca 0.05 -1.26 0.06 0.00 -0.51 0.00 0.00 60.65 59.00 1ilu s ILE 7 Cb -0.14 -2.01 -0.02 0.00 0.15 0.00 0.00 42.46 40.43 1ilu s ILE 7 CO -0.01 0.36 -0.17 -1.10 -2.11 0.00 0.00 174.94 171.91 1ilu s GLN 8 N -1.31 1.15 -0.09 3.50 -0.21 -1.26 -1.56 119.66 119.87 1ilu s GLN 8 Ca 0.13 -0.86 0.02 0.00 0.02 0.00 0.00 55.36 54.68 1ilu s GLN 8 Cb -0.10 -1.22 0.01 0.00 1.00 0.00 0.00 33.01 32.70 1ilu s GLN 8 CO 0.04 0.31 -0.14 0.20 -2.12 0.00 0.00 175.29 173.57 1ilu s GLY 9 N -1.18 0.95 0.24 3.09 0.00 -1.11 -1.65 107.32 107.66 1ilu s GLY 9 Ca 0.04 -0.62 0.03 0.00 0.00 0.00 0.00 44.72 44.18 1ilu s GLY 9 CO 0.02 0.19 0.22 1.16 0.00 0.00 0.00 173.10 174.68 1ilu n ASN 10 N 4.06 1.56 0.00 1.64 0.23 -0.77 -3.98 115.26 118.00 1ilu n ASN 10 Ca -0.20 -1.78 0.08 0.00 -0.53 0.00 0.00 54.58 52.15 1ilu n ASN 10 Cb 0.51 -0.06 0.35 0.00 -2.08 0.00 0.00 39.78 38.51 1ilu n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1ilu n ASP 11 N -2.11 0.00 -0.97 0.53 8.00 -1.26 -2.04 116.55 118.70 1ilu n ASP 11 Ca 0.01 0.50 0.09 0.00 0.71 0.00 0.00 54.79 56.10 1ilu n ASP 11 Cb 0.27 -0.50 0.25 0.00 -0.02 0.00 0.00 41.12 41.12 1ilu n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ilu n GLN 12 N -1.50 2.23 -3.30 -1.24 6.02 -1.26 -4.94 117.38 113.39 1ilu n GLN 12 Ca 0.04 -1.90 -0.17 0.00 -0.01 0.00 0.00 57.00 54.95 1ilu n GLN 12 Cb 0.19 -1.43 0.06 0.00 1.02 0.00 0.00 30.24 30.09 1ilu n GLN 12 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 1ilu n MET 13 N 1.06 -5.94 -5.22 -1.09 1.56 -0.86 -5.02 117.12 101.59 1ilu n MET 13 Ca 0.18 0.63 -0.31 0.00 -0.27 0.00 0.00 57.70 57.93 1ilu n MET 13 Cb 0.46 -5.08 -0.16 0.00 2.15 0.00 0.00 33.22 30.59 1ilu n MET 13 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1ilu s GLN 14 N -5.86 2.31 0.36 2.12 -0.21 -1.26 -4.33 119.66 112.79 1ilu s GLN 14 Ca 0.38 -0.88 -0.05 0.00 0.02 0.00 0.00 55.36 54.83 1ilu s GLN 14 Cb -0.17 -2.13 -0.05 0.00 1.00 0.00 0.00 33.01 31.66 1ilu s GLN 14 CO 0.56 0.52 0.64 -0.06 -2.12 0.00 0.00 175.29 174.82 1ilu s PHE 15 N -0.50 3.50 -0.48 0.91 0.08 -1.26 -1.84 117.98 118.40 1ilu s PHE 15 Ca 0.06 0.70 0.26 0.00 0.12 0.00 0.00 56.93 58.07 1ilu s PHE 15 Cb -0.11 -2.17 0.91 0.00 -0.57 0.00 0.00 43.02 41.08 1ilu s PHE 15 CO 0.01 0.02 1.76 -2.95 -0.10 0.00 0.00 175.22 173.96 1ilu h ASN 16 N 1.15 0.00 -5.07 1.36 -1.07 -1.70 -3.45 115.58 106.81 1ilu h ASN 16 Ca -0.48 0.00 -0.12 0.00 0.07 0.00 0.00 56.30 55.77 1ilu h ASN 16 Cb 1.20 0.00 -0.18 0.00 -2.07 0.00 0.00 38.32 37.27 1ilu h ASN 16 CO 0.64 0.00 -0.49 0.28 0.07 0.00 0.00 177.43 177.93 1ilu s THR 17 N -3.28 0.12 -0.08 6.14 -1.32 -1.26 -5.03 115.64 110.93 1ilu s THR 17 Ca 0.06 -1.01 0.11 0.00 -1.21 0.00 0.00 61.69 59.64 1ilu s THR 17 Cb 0.10 -0.85 0.17 0.00 -1.51 0.00 0.00 72.50 70.41 1ilu s THR 17 CO 0.52 -0.56 1.09 -0.46 -2.21 0.00 0.00 174.62 172.99 1ilu n ASN 18 N 0.81 1.41 -3.75 8.08 6.94 -1.26 -4.89 115.26 122.60 1ilu n ASN 18 Ca -0.19 -2.64 -0.12 0.00 -0.02 0.00 0.00 54.58 51.60 1ilu n ASN 18 Cb 0.58 -0.33 -0.12 0.00 -2.36 0.00 0.00 39.78 37.55 1ilu n ASN 18 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ilu s ALA 19 N -1.72 -0.65 -0.05 -2.53 0.00 -1.26 -1.38 121.76 114.17 1ilu s ALA 19 Ca 0.19 0.95 0.04 0.00 0.00 0.00 0.00 51.96 53.15 1ilu s ALA 19 Cb 0.17 -0.58 -0.00 0.00 0.00 0.00 0.00 23.12 22.70 1ilu s ALA 19 CO 0.02 -0.18 -0.19 0.42 0.00 0.00 0.00 175.76 175.84 1ilu s ILE 20 N 0.81 1.56 -0.18 0.00 1.01 0.14 -4.93 121.20 119.60 1ilu s ILE 20 Ca -0.05 -0.78 -0.06 0.00 0.00 0.00 0.00 60.65 59.75 1ilu s ILE 20 Cb -0.07 -1.34 -0.03 0.00 0.01 0.00 0.00 42.46 41.03 1ilu s ILE 20 CO -0.05 0.44 0.03 -0.89 0.00 0.00 0.00 174.94 174.47 1ilu s THR 21 N 0.06 4.39 -0.21 2.92 2.01 -1.26 -0.04 115.64 123.51 1ilu s THR 21 Ca -0.05 -0.17 -0.04 0.00 0.31 0.00 0.00 61.69 61.74 1ilu s THR 21 Cb -0.13 -2.97 -0.01 0.00 0.01 0.00 0.00 72.50 69.40 1ilu s THR 21 CO 0.03 0.46 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.68 1ilu s VAL 22 N 0.54 3.47 0.23 3.82 1.01 0.35 -4.92 120.40 124.89 1ilu s VAL 22 Ca 0.01 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.22 1ilu s VAL 22 Cb -0.13 -2.57 -0.09 0.00 0.00 0.00 0.00 36.38 33.59 1ilu s VAL 22 CO 0.02 0.43 0.97 -0.62 0.00 0.00 0.00 175.10 175.90 1ilu s ASP 23 N 1.29 7.56 0.29 3.32 2.15 -1.26 -0.97 116.67 129.05 1ilu s ASP 23 Ca 0.03 1.98 -0.02 0.00 0.43 0.00 0.00 52.55 54.98 1ilu s ASP 23 Cb -0.14 -2.61 0.41 0.00 -0.30 0.00 0.00 42.92 40.28 1ilu s ASP 23 CO -0.01 0.07 1.89 0.11 -0.17 0.00 0.00 175.17 177.05 1ilu h LYS 24 N 4.33 0.96 -1.00 4.34 1.57 -0.87 -2.86 116.57 123.05 1ilu h LYS 24 Ca -0.45 -0.13 0.23 0.00 -1.87 0.00 0.00 60.65 58.43 1ilu h LYS 24 Cb 1.20 -0.18 -0.10 0.00 0.08 0.00 0.00 32.23 33.24 1ilu h LYS 24 CO 0.69 0.74 0.63 0.77 -0.57 0.00 0.00 179.45 181.71 1ilu h SER 25 N 0.96 0.59 -3.02 0.86 0.02 -1.93 -3.42 113.55 107.60 1ilu h SER 25 Ca 0.24 0.09 -0.53 0.00 -0.84 0.00 0.00 61.79 60.75 1ilu h SER 25 Cb 0.10 -0.01 0.07 0.00 0.14 0.00 0.00 62.40 62.69 1ilu h SER 25 CO -0.03 0.17 0.92 0.00 -1.14 0.00 0.00 176.83 176.74 1ilu h LYS 27 N 5.87 0.30 -5.68 0.00 6.56 -1.90 -3.43 116.57 118.30 1ilu h LYS 27 Ca -0.45 -0.51 -0.49 0.00 -1.06 0.00 0.00 60.65 58.15 1ilu h LYS 27 Cb 1.21 0.19 -0.14 0.00 -0.57 0.00 0.00 32.23 32.92 1ilu h LYS 27 CO 0.87 1.24 -0.72 -0.65 -2.06 0.00 0.00 179.45 178.13 1ilu s GLN 28 N -2.43 1.45 -0.02 3.15 -0.21 -1.26 -2.13 119.66 118.22 1ilu s GLN 28 Ca -0.14 -1.67 0.02 0.00 0.02 0.00 0.00 55.36 53.59 1ilu s GLN 28 Cb 0.01 -1.26 0.00 0.00 1.00 0.00 0.00 33.01 32.76 1ilu s GLN 28 CO 0.83 0.18 -0.07 0.12 -2.12 0.00 0.00 175.29 174.22 1ilu s PHE 29 N -2.89 0.75 -0.02 0.91 5.36 -0.08 -4.82 117.98 117.19 1ilu s PHE 29 Ca 0.26 -0.16 0.07 0.00 -0.96 0.00 0.00 56.93 56.13 1ilu s PHE 29 Cb -0.01 -0.52 -0.02 0.00 -0.34 0.00 0.00 43.02 42.13 1ilu s PHE 29 CO 0.10 -0.06 -0.21 0.99 -1.46 0.00 0.00 175.22 174.57 1ilu s THR 30 N 0.08 2.46 -0.13 0.12 2.01 -0.70 -0.50 115.64 118.97 1ilu s THR 30 Ca -0.01 -1.01 0.02 0.00 0.31 0.00 0.00 61.69 61.00 1ilu s THR 30 Cb -0.06 -1.92 0.02 0.00 0.01 0.00 0.00 72.50 70.55 1ilu s THR 30 CO -0.00 0.55 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.62 1ilu s VAL 31 N -0.69 1.64 -0.19 3.82 1.01 -0.06 -1.37 120.40 124.56 1ilu s VAL 31 Ca 0.11 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 1ilu s VAL 31 Cb -0.10 -1.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.77 1ilu s VAL 31 CO 0.00 0.47 -0.07 0.20 0.00 0.00 0.00 175.10 175.70 1ilu s ASN 32 N 1.07 4.20 -0.09 3.32 0.01 0.30 -1.12 114.94 122.63 1ilu s ASN 32 Ca -0.04 -0.37 0.03 0.00 -0.71 0.00 0.00 52.86 51.77 1ilu s ASN 32 Cb -0.15 -1.70 -0.01 0.00 0.41 0.00 0.00 41.25 39.81 1ilu s ASN 32 CO -0.04 0.04 -0.19 -0.22 -1.51 0.00 0.00 177.10 175.18 1ilu s LEU 33 N 1.11 2.38 0.31 0.60 2.96 0.51 -0.61 118.68 125.94 1ilu s LEU 33 Ca 0.01 -0.42 0.07 0.00 -0.22 0.00 0.00 54.13 53.57 1ilu s LEU 33 Cb -0.15 -1.49 -0.06 0.00 0.50 0.00 0.00 46.19 45.00 1ilu s LEU 33 CO -0.01 0.21 -0.04 -0.94 -1.32 0.00 0.00 176.35 174.24 1ilu s SER 34 N 0.08 3.02 -0.38 3.68 1.04 -0.60 -0.92 113.70 119.62 1ilu s SER 34 Ca -0.08 -1.23 0.01 0.00 0.48 0.00 0.00 55.95 55.12 1ilu s SER 34 Cb -0.15 -0.22 0.14 0.00 0.10 0.00 0.00 66.02 65.89 1ilu s SER 34 CO 0.05 -0.36 0.21 -2.28 0.98 0.00 0.00 173.24 171.85 1ilu s HIS 35 N -2.94 1.15 1.02 5.02 2.46 -1.16 -2.77 115.29 118.08 1ilu s HIS 35 Ca 0.32 -1.86 -0.17 0.00 0.47 0.00 0.00 55.06 53.82 1ilu s HIS 35 Cb 0.05 -1.26 0.01 0.00 -0.13 0.00 0.00 32.58 31.25 1ilu s HIS 35 CO 0.14 -0.82 -0.09 -0.35 -2.47 0.00 0.00 174.74 171.15 1ilu n PRO 36 N 3.96 -0.69 0.00 2.88 -0.04 -1.26 -1.70 135.00 138.15 1ilu n PRO 36 Ca 0.10 -0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1ilu n PRO 36 Cb 0.37 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.22 1ilu n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ilu n GLY 37 N 2.14 -2.42 0.07 0.55 0.00 -1.26 -4.05 105.19 100.22 1ilu n GLY 37 Ca 0.03 -2.15 0.01 0.00 0.00 0.00 0.00 46.02 43.91 1ilu n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ilu n ASN 38 N 0.00 0.85 -4.86 1.61 5.03 -1.26 -4.61 115.26 112.02 1ilu n ASN 38 Ca 0.00 -0.93 -0.34 0.00 0.87 0.00 0.00 54.58 54.19 1ilu n ASN 38 Cb 0.00 0.33 -0.06 0.00 -1.02 0.00 0.00 39.78 39.03 1ilu n ASN 38 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1ilu s LEU 39 N -0.84 4.26 0.93 3.41 1.43 -1.26 -4.89 118.68 121.73 1ilu s LEU 39 Ca 0.02 1.02 -0.12 0.00 -1.03 0.00 0.00 54.13 54.03 1ilu s LEU 39 Cb 0.02 -3.46 0.15 0.00 0.03 0.00 0.00 46.19 42.93 1ilu s LEU 39 CO 0.05 0.02 1.09 -2.16 0.23 0.00 0.00 176.35 175.59 1ilu s PRO 40 N -2.33 0.95 0.33 1.29 0.04 -1.26 -1.60 135.00 132.42 1ilu s PRO 40 Ca 0.42 0.87 0.02 0.00 0.04 0.00 0.00 61.00 62.35 1ilu s PRO 40 Cb -0.13 -1.77 0.56 0.00 0.04 0.00 0.00 34.50 33.20 1ilu s PRO 40 CO 0.20 -2.47 1.93 -0.22 0.04 0.00 0.00 177.00 176.48 1ilu h LYS 41 N -1.71 0.77 -0.00 4.56 3.64 -1.86 0.16 116.57 122.13 1ilu h LYS 41 Ca -0.51 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 58.77 1ilu h LYS 41 Cb 1.29 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1ilu h LYS 41 CO 0.53 0.61 -0.00 0.27 -2.27 0.00 0.00 179.45 178.59 1ilu n ASN 42 N -4.36 0.04 -0.00 4.20 6.94 -1.26 -0.38 115.26 120.44 1ilu n ASN 42 Ca 0.05 -0.93 -0.00 0.00 -0.02 0.00 0.00 54.58 53.68 1ilu n ASN 42 Cb 0.14 -0.03 -0.00 0.00 -2.36 0.00 0.00 39.78 37.53 1ilu n ASN 42 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1ilu n VAL 43 N -1.00 0.01 -2.78 3.53 0.31 -0.83 -4.87 118.33 112.70 1ilu n VAL 43 Ca 0.23 -0.01 -0.01 0.00 -0.01 0.00 0.00 64.34 64.54 1ilu n VAL 43 Cb 0.13 -0.97 0.08 0.00 -0.91 0.00 0.00 33.84 32.17 1ilu n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1ilu n MET 44 N -2.03 1.59 -1.97 5.55 0.00 0.51 -5.02 117.12 115.75 1ilu n MET 44 Ca -0.00 -2.69 -0.41 0.00 0.00 0.00 0.00 57.70 54.60 1ilu n MET 44 Cb 0.51 -0.88 -0.02 0.00 0.00 0.00 0.00 33.22 32.83 1ilu n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1ilu s GLY 45 N -2.85 2.61 0.04 -5.12 0.00 0.49 -4.77 107.32 97.72 1ilu s GLY 45 Ca 0.21 1.39 0.06 0.00 0.00 0.00 0.00 44.72 46.38 1ilu s GLY 45 CO -0.07 2.21 -0.18 0.30 0.00 0.00 0.00 173.10 175.36 1ilu s HIS 46 N -0.54 1.56 0.28 1.90 3.76 0.01 -4.74 115.29 117.52 1ilu s HIS 46 Ca 0.56 -0.37 0.03 0.00 -0.15 0.00 0.00 55.06 55.13 1ilu s HIS 46 Cb -0.43 -0.92 -0.04 0.00 1.11 0.00 0.00 32.58 32.30 1ilu s HIS 46 CO 0.50 0.07 0.18 0.54 -0.85 0.00 0.00 174.74 175.19 1ilu s ASN 47 N -1.20 1.23 -0.18 1.40 2.20 -1.26 -0.29 114.94 116.84 1ilu s ASN 47 Ca 0.05 -1.56 0.00 0.00 -0.94 0.00 0.00 52.86 50.41 1ilu s ASN 47 Cb -0.08 0.42 0.04 0.00 -2.00 0.00 0.00 41.25 39.63 1ilu s ASN 47 CO 0.02 -0.92 -0.08 0.86 -2.94 0.00 0.00 177.10 174.04 1ilu s TRP 48 N -3.70 2.00 0.02 1.54 -0.00 -1.26 -4.22 118.94 113.31 1ilu s TRP 48 Ca 0.38 -1.28 0.08 0.00 -0.00 0.00 0.00 56.10 55.27 1ilu s TRP 48 Cb 0.05 -1.46 -0.03 0.00 -0.00 0.00 0.00 33.47 32.03 1ilu s TRP 48 CO 0.19 -0.67 -0.23 0.08 -0.00 0.00 0.00 176.95 176.32 1ilu s VAL 49 N 1.53 2.38 -0.05 5.86 1.01 0.07 -1.32 120.40 129.89 1ilu s VAL 49 Ca 0.00 -1.20 0.04 0.00 0.00 0.00 0.00 61.98 60.82 1ilu s VAL 49 Cb -0.15 -1.92 -0.00 0.00 0.00 0.00 0.00 36.38 34.30 1ilu s VAL 49 CO -0.08 0.44 -0.16 -0.22 0.00 0.00 0.00 175.10 175.08 1ilu s LEU 50 N -1.08 1.88 0.36 3.92 2.96 -0.58 -1.05 118.68 125.09 1ilu s LEU 50 Ca 0.12 -0.34 -0.09 0.00 -0.22 0.00 0.00 54.13 53.60 1ilu s LEU 50 Cb -0.10 -0.92 0.03 0.00 0.50 0.00 0.00 46.19 45.69 1ilu s LEU 50 CO 0.02 0.13 0.63 -0.94 -1.32 0.00 0.00 176.35 174.87 1ilu s SER 51 N 0.13 0.44 0.87 3.68 1.04 -0.85 -1.79 113.70 117.22 1ilu s SER 51 Ca -0.05 -1.29 -0.11 0.00 0.48 0.00 0.00 55.95 54.97 1ilu s SER 51 Cb -0.12 0.75 0.12 0.00 0.10 0.00 0.00 66.02 66.87 1ilu s SER 51 CO 0.02 -1.48 1.09 0.42 0.98 0.00 0.00 173.24 174.27 1ilu s THR 52 N -2.74 2.78 0.30 2.02 -4.23 -1.26 -1.47 115.64 111.03 1ilu s THR 52 Ca 0.23 0.25 0.01 0.00 -1.18 0.00 0.00 61.69 61.00 1ilu s THR 52 Cb -0.03 -2.69 0.15 0.00 1.34 0.00 0.00 72.50 71.28 1ilu s THR 52 CO 0.16 -0.33 1.84 0.00 -0.54 0.00 0.00 174.62 175.74 1ilu h ALA 53 N -1.50 1.26 0.00 3.99 0.00 -1.20 -2.43 119.26 119.39 1ilu h ALA 53 Ca -0.48 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1ilu h ALA 53 Cb 1.27 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1ilu h ALA 53 CO 0.53 0.50 0.00 0.00 0.00 0.00 0.00 179.25 180.28 1ilu h ALA 54 N 1.40 1.00 0.00 0.00 0.00 -1.92 -3.23 119.26 116.51 1ilu h ALA 54 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1ilu h ALA 54 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1ilu h ALA 54 CO 0.00 0.00 -1.18 -0.25 0.00 0.00 0.00 179.25 177.82 1ilu n ASP 55 N -3.02 0.57 -0.14 0.00 9.92 -0.94 -4.55 116.55 118.40 1ilu n ASP 55 Ca 0.01 -0.23 -0.07 0.00 -0.53 0.00 0.00 54.79 53.97 1ilu n ASP 55 Cb 0.34 1.00 -0.01 0.00 -0.64 0.00 0.00 41.12 41.81 1ilu n ASP 55 CO 0.00 0.00 0.00 -0.03 0.13 0.00 0.00 177.20 177.30 1ilu h MET 56 N 0.00 -0.21 -0.76 -1.24 4.05 -1.52 -2.05 114.93 113.20 1ilu h MET 56 Ca 0.00 0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.48 1ilu h MET 56 Cb 0.76 0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 31.57 1ilu h MET 56 CO 0.00 -0.14 0.50 0.37 0.23 0.00 0.00 176.91 177.87 1ilu h GLN 57 N -0.22 0.85 -0.30 0.39 5.75 -1.82 -1.21 115.11 118.56 1ilu h GLN 57 Ca 0.19 -0.05 -0.10 0.00 -0.15 0.00 0.00 58.65 58.54 1ilu h GLN 57 Cb 0.53 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.87 1ilu h GLN 57 CO -0.56 0.57 -0.24 0.78 -2.65 0.00 0.00 178.83 176.72 1ilu h GLY 58 N 0.88 0.63 0.82 2.39 0.00 -1.67 -0.30 103.07 105.82 1ilu h GLY 58 Ca 0.32 -0.53 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 1ilu h GLY 58 CO -0.10 0.48 -0.20 -2.08 0.00 0.00 0.00 176.54 174.64 1ilu h VAL 59 N 0.51 1.33 -0.34 4.60 2.07 -0.93 -1.53 116.25 121.97 1ilu h VAL 59 Ca 0.07 -1.37 -0.02 0.00 0.82 0.00 0.00 66.70 66.20 1ilu h VAL 59 Cb 0.70 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 1ilu h VAL 59 CO 0.05 0.41 0.12 0.58 0.02 0.00 0.00 177.57 178.76 1ilu h VAL 60 N 0.13 1.20 -0.13 2.57 2.07 -1.18 0.37 116.25 121.28 1ilu h VAL 60 Ca 0.03 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 1ilu h VAL 60 Cb 0.75 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1ilu h VAL 60 CO 0.05 0.22 0.03 0.74 0.02 0.00 0.00 177.57 178.63 1ilu h THR 61 N 0.40 1.19 -0.06 2.57 2.02 -1.03 -1.12 112.91 116.88 1ilu h THR 61 Ca 0.11 -0.61 -0.12 0.00 0.77 0.00 0.00 66.41 66.56 1ilu h THR 61 Cb 0.22 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 1ilu h THR 61 CO -0.01 0.18 -0.53 0.44 0.37 0.00 0.00 175.52 175.97 1ilu h ASP 62 N 0.01 0.18 -0.19 4.18 3.32 -1.26 -2.82 116.42 119.84 1ilu h ASP 62 Ca 0.04 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.01 1ilu h ASP 62 Cb 0.25 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1ilu h ASP 62 CO 0.00 0.68 0.11 1.23 -1.72 0.00 0.00 179.24 179.54 1ilu h GLY 63 N 1.46 0.26 0.12 2.75 0.00 -0.74 -0.92 103.07 105.99 1ilu h GLY 63 Ca 0.00 -0.09 0.07 0.00 0.00 0.00 0.00 47.33 47.31 1ilu h GLY 63 CO 0.08 0.08 -0.21 1.98 0.00 0.00 0.00 176.54 178.47 1ilu h MET 64 N 0.24 -0.17 0.00 4.80 1.85 -1.04 -0.28 114.93 120.32 1ilu h MET 64 Ca 0.07 0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 59.16 1ilu h MET 64 Cb -0.01 0.04 -0.00 0.00 0.43 0.00 0.00 31.60 32.05 1ilu h MET 64 CO -0.03 -0.11 -0.08 0.00 -0.40 0.00 0.00 176.91 176.29 1ilu h ALA 65 N 0.99 1.17 0.00 0.39 0.00 -1.24 -3.03 119.26 117.54 1ilu h ALA 65 Ca 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ilu h ALA 65 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1ilu h ALA 65 CO -0.42 0.10 0.00 0.43 0.00 0.00 0.00 179.25 179.36 1ilu n SER 66 N -3.43 0.68 0.00 0.00 7.64 -0.12 -5.02 113.62 113.37 1ilu n SER 66 Ca -0.02 0.61 0.00 0.00 1.01 0.00 0.00 58.87 60.47 1ilu n SER 66 Cb 0.22 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 1ilu n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ilu n GLY 67 N 0.68 -1.00 0.27 0.23 0.00 -1.15 -4.25 105.19 99.96 1ilu n GLY 67 Ca 0.04 -1.63 -0.06 0.00 0.00 0.00 0.00 46.02 44.38 1ilu n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ilu h LEU 68 N 0.00 0.73 -2.59 0.99 5.85 -1.91 -1.79 115.31 116.59 1ilu h LEU 68 Ca 0.00 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.50 1ilu h LEU 68 Cb 0.00 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 1ilu h LEU 68 CO 0.00 0.89 0.10 -2.24 -0.34 0.00 0.00 178.44 176.84 1ilu h ASP 69 N 0.66 0.00 -0.62 1.25 2.03 -2.02 -0.15 116.42 117.57 1ilu h ASP 69 Ca 0.11 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.41 1ilu h ASP 69 Cb 0.62 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.12 1ilu h ASP 69 CO 0.04 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.54 1ilu n LYS 70 N -3.33 3.87 -2.68 4.15 4.76 -1.04 -4.94 118.16 118.95 1ilu n LYS 70 Ca -0.02 -2.92 -0.19 0.00 -2.87 0.00 0.00 58.31 52.31 1ilu n LYS 70 Cb 0.17 -1.94 0.00 0.00 -1.84 0.00 0.00 35.03 31.43 1ilu n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1ilu n ASP 71 N 1.00 -5.13 -4.00 4.39 8.00 -0.07 -2.62 116.55 118.12 1ilu n ASP 71 Ca 0.26 -0.07 -0.31 0.00 0.71 0.00 0.00 54.79 55.38 1ilu n ASP 71 Cb 0.93 -4.25 0.00 0.00 -0.02 0.00 0.00 41.12 37.78 1ilu n ASP 71 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1ilu n TYR 72 N -3.95 -1.99 -4.10 1.24 4.01 -0.70 -4.69 117.16 106.98 1ilu n TYR 72 Ca -0.16 0.84 -0.15 0.00 -0.16 0.00 0.00 57.90 58.28 1ilu n TYR 72 Cb 0.63 -3.65 -0.12 0.00 -0.31 0.00 0.00 39.34 35.90 1ilu n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1ilu s LEU 73 N -7.17 2.27 0.13 7.72 1.43 -1.08 -4.19 118.68 117.78 1ilu s LEU 73 Ca 0.53 -0.58 -0.29 0.00 -1.03 0.00 0.00 54.13 52.75 1ilu s LEU 73 Cb -0.27 -0.29 -0.06 0.00 0.03 0.00 0.00 46.19 45.59 1ilu s LEU 73 CO 0.87 -0.16 0.93 -0.75 0.23 0.00 0.00 176.35 177.47 1ilu s LYS 74 N -1.67 4.70 0.16 1.70 2.20 -1.26 -4.75 119.74 120.81 1ilu s LYS 74 Ca -0.07 1.41 -0.31 0.00 -0.36 0.00 0.00 55.97 56.64 1ilu s LYS 74 Cb -0.10 -3.36 -0.09 0.00 -1.51 0.00 0.00 37.83 32.78 1ilu s LYS 74 CO 0.01 0.28 1.46 -2.14 -0.36 0.00 0.00 175.35 174.60 1ilu s PRO 75 N -0.23 4.28 -1.36 4.03 0.02 -1.26 -2.95 135.00 137.52 1ilu s PRO 75 Ca 0.45 2.21 -0.06 0.00 0.02 0.00 0.00 61.00 63.62 1ilu s PRO 75 Cb -0.23 -3.19 0.03 0.00 0.02 0.00 0.00 34.50 31.12 1ilu s PRO 75 CO 0.29 -0.49 0.95 -0.25 -0.33 0.00 0.00 177.00 177.17 1ilu n ASP 76 N 3.68 -3.55 -4.63 2.53 8.00 -1.26 -4.89 116.55 116.44 1ilu n ASP 76 Ca 0.11 -0.70 -0.43 0.00 0.71 0.00 0.00 54.79 54.48 1ilu n ASP 76 Cb 0.41 -4.45 -0.02 0.00 -0.02 0.00 0.00 41.12 37.03 1ilu n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ilu s ASP 77 N -3.83 6.49 0.51 -2.24 -1.08 -1.15 -4.86 116.67 110.51 1ilu s ASP 77 Ca 0.32 1.36 0.32 0.00 -0.52 0.00 0.00 52.55 54.03 1ilu s ASP 77 Cb -0.15 -2.54 1.45 0.00 -1.46 0.00 0.00 42.92 40.22 1ilu s ASP 77 CO 0.78 -1.21 1.82 0.77 0.52 0.00 0.00 175.17 177.85 1ilu h SER 78 N 10.14 0.09 1.13 -0.34 4.64 -1.92 -1.38 113.55 125.91 1ilu h SER 78 Ca -0.30 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1ilu h SER 78 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1ilu h SER 78 CO 1.02 0.02 -0.18 0.54 -0.87 0.00 0.00 176.83 177.36 1ilu n ARG 79 N -4.29 0.17 -2.91 4.77 1.74 -1.26 -4.82 116.66 110.05 1ilu n ARG 79 Ca 0.24 0.11 -0.42 0.00 -0.77 0.00 0.00 57.85 57.01 1ilu n ARG 79 Cb 1.11 -1.67 -0.05 0.00 -1.02 0.00 0.00 32.46 30.83 1ilu n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ilu s VAL 80 N -3.08 4.66 -0.04 1.55 1.01 -0.52 -4.53 120.40 119.45 1ilu s VAL 80 Ca 0.11 0.86 -0.23 0.00 0.00 0.00 0.00 61.98 62.71 1ilu s VAL 80 Cb 0.15 -4.27 -0.24 0.00 0.00 0.00 0.00 36.38 32.01 1ilu s VAL 80 CO 0.61 -0.54 1.02 0.40 0.00 0.00 0.00 175.10 176.59 1ilu h ILE 81 N 5.84 1.53 -3.18 2.22 2.04 -1.67 -3.48 117.51 120.81 1ilu h ILE 81 Ca -0.24 -2.06 -0.07 0.00 1.00 0.00 0.00 64.86 63.49 1ilu h ILE 81 Cb 1.09 2.80 -0.15 0.00 -0.74 0.00 0.00 36.82 39.81 1ilu h ILE 81 CO 0.94 0.57 -0.11 0.00 0.00 0.00 0.00 178.15 179.56 1ilu s ALA 82 N -3.03 -0.95 -0.14 1.87 0.00 -1.24 -5.00 121.76 113.28 1ilu s ALA 82 Ca -0.15 0.16 -0.29 0.00 0.00 0.00 0.00 51.96 51.67 1ilu s ALA 82 Cb 0.01 0.46 0.10 0.00 0.00 0.00 0.00 23.12 23.69 1ilu s ALA 82 CO 0.77 -0.51 0.84 -3.38 0.00 0.00 0.00 175.76 173.47 1ilu s HIS 83 N -2.93 -0.55 0.46 0.00 -3.43 -1.26 -1.53 115.29 106.05 1ilu s HIS 83 Ca -0.02 1.05 -0.04 0.00 -0.80 0.00 0.00 55.06 55.24 1ilu s HIS 83 Cb 0.00 0.40 0.10 0.00 -1.43 0.00 0.00 32.58 31.65 1ilu s HIS 83 CO -0.06 -0.44 0.63 0.25 -2.00 0.00 0.00 174.74 173.12 1ilu n THR 84 N 1.21 0.00 -2.24 -5.38 -2.24 -0.43 -4.88 114.28 100.33 1ilu n THR 84 Ca -0.14 -0.70 -0.26 0.00 -2.27 0.00 0.00 64.05 60.68 1ilu n THR 84 Cb 0.57 -1.41 0.09 0.00 -2.10 0.00 0.00 70.33 67.48 1ilu n THR 84 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ilu s LYS 85 N -4.20 1.92 -0.12 -0.78 -0.14 -1.26 -4.67 119.74 110.48 1ilu s LYS 85 Ca 0.38 -0.42 -0.25 0.00 -1.36 0.00 0.00 55.97 54.32 1ilu s LYS 85 Cb -0.02 -2.16 -0.02 0.00 -1.68 0.00 0.00 37.83 33.95 1ilu s LYS 85 CO 0.26 -1.41 0.81 -1.17 -0.76 0.00 0.00 175.35 173.08 1ilu s LEU 86 N -5.30 4.23 0.24 3.17 2.96 -1.26 -4.38 118.68 118.33 1ilu s LEU 86 Ca 0.63 1.22 0.12 0.00 -0.22 0.00 0.00 54.13 55.88 1ilu s LEU 86 Cb -0.09 -3.23 -0.05 0.00 0.50 0.00 0.00 46.19 43.33 1ilu s LEU 86 CO 0.46 -0.31 -0.21 0.27 -1.32 0.00 0.00 176.35 175.24 1ilu s ILE 87 N 1.67 2.48 0.49 6.68 -4.36 0.60 -4.88 121.20 123.88 1ilu s ILE 87 Ca 0.39 -2.19 0.03 0.00 -0.26 0.00 0.00 60.65 58.62 1ilu s ILE 87 Cb -0.17 -2.25 0.03 0.00 1.25 0.00 0.00 42.46 41.32 1ilu s ILE 87 CO 0.16 -0.26 0.24 0.61 0.24 0.00 0.00 174.94 175.93 1ilu n GLY 88 N -0.19 3.08 3.73 6.27 0.00 -1.26 -0.81 105.19 116.00 1ilu n GLY 88 Ca -0.09 -2.31 -0.40 0.00 0.00 0.00 0.00 46.02 43.22 1ilu n GLY 88 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ilu n SER 89 N -1.64 2.74 0.00 1.61 7.64 -0.63 -2.32 113.62 121.02 1ilu n SER 89 Ca -0.08 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.85 1ilu n SER 89 Cb 0.58 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.22 1ilu n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ilu n GLY 90 N 0.75 2.70 3.98 0.23 0.00 -0.69 -4.97 105.19 107.18 1ilu n GLY 90 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 1ilu n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ilu s GLU 91 N -0.23 1.99 -0.03 1.61 2.02 -0.98 -4.95 118.70 118.13 1ilu s GLU 91 Ca 0.00 -0.87 -0.21 0.00 0.02 0.00 0.00 54.97 53.92 1ilu s GLU 91 Cb 0.00 -2.34 0.04 0.00 0.10 0.00 0.00 34.13 31.93 1ilu s GLU 91 CO 0.00 -1.21 0.45 0.21 0.02 0.00 0.00 175.26 174.73 1ilu s LYS 92 N -5.06 0.81 0.01 1.61 2.47 -1.26 -2.98 119.74 115.34 1ilu s LYS 92 Ca 0.63 0.00 -0.15 0.00 -1.56 0.00 0.00 55.97 54.88 1ilu s LYS 92 Cb -0.08 0.37 0.03 0.00 -1.46 0.00 0.00 37.83 36.69 1ilu s LYS 92 CO 0.43 -0.23 0.33 0.34 0.16 0.00 0.00 175.35 176.38 1ilu s ASP 93 N -1.23 -0.19 0.17 1.43 2.15 -0.09 -4.98 116.67 113.92 1ilu s ASP 93 Ca -0.12 -0.01 0.08 0.00 0.43 0.00 0.00 52.55 52.93 1ilu s ASP 93 Cb -0.03 0.35 -0.04 0.00 -0.30 0.00 0.00 42.92 42.90 1ilu s ASP 93 CO 0.06 -0.54 -0.17 -0.44 -0.17 0.00 0.00 175.17 173.91 1ilu s SER 94 N -1.69 2.56 -0.04 -0.34 0.01 -1.26 -0.36 113.70 112.57 1ilu s SER 94 Ca -0.09 -0.90 -0.02 0.00 1.31 0.00 0.00 55.95 56.25 1ilu s SER 94 Cb -0.03 -0.14 0.03 0.00 0.21 0.00 0.00 66.02 66.09 1ilu s SER 94 CO 0.01 -0.09 0.10 0.54 0.41 0.00 0.00 173.24 174.21 1ilu s VAL 95 N -2.33 -0.04 -0.06 3.43 0.11 -0.28 -4.89 120.40 116.34 1ilu s VAL 95 Ca 0.17 0.15 0.01 0.00 -2.93 0.00 0.00 61.98 59.37 1ilu s VAL 95 Cb -0.04 -0.17 -0.03 0.00 -1.53 0.00 0.00 36.38 34.61 1ilu s VAL 95 CO 0.06 0.06 -0.06 -0.89 -3.33 0.00 0.00 175.10 170.95 1ilu s THR 96 N 0.89 3.79 0.16 5.04 2.01 -1.26 -0.89 115.64 125.38 1ilu s THR 96 Ca -0.07 -0.47 -0.03 0.00 0.31 0.00 0.00 61.69 61.43 1ilu s THR 96 Cb -0.09 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.82 1ilu s THR 96 CO -0.04 0.58 0.14 0.72 -0.69 0.00 0.00 174.62 175.33 1ilu s PHE 97 N -0.84 0.86 -0.11 4.92 -0.71 0.34 -4.93 117.98 117.51 1ilu s PHE 97 Ca 0.13 -1.19 -0.30 0.00 -1.04 0.00 0.00 56.93 54.54 1ilu s PHE 97 Cb -0.11 -0.41 -0.02 0.00 -1.21 0.00 0.00 43.02 41.27 1ilu s PHE 97 CO 0.02 -0.61 1.22 -0.51 -1.34 0.00 0.00 175.22 174.00 1ilu s ASP 98 N -3.07 7.01 0.49 1.98 1.01 -1.26 -0.90 116.67 121.92 1ilu s ASP 98 Ca 0.28 1.74 0.25 0.00 0.71 0.00 0.00 52.55 55.53 1ilu s ASP 98 Cb 0.06 -2.55 1.26 0.00 1.01 0.00 0.00 42.92 42.70 1ilu s ASP 98 CO 0.05 -0.66 1.99 0.58 0.21 0.00 0.00 175.17 177.34 1ilu h VAL 99 N 5.24 0.63 -0.04 -1.27 2.07 -1.70 -2.58 116.25 118.60 1ilu h VAL 99 Ca -0.30 -0.74 0.01 0.00 0.82 0.00 0.00 66.70 66.49 1ilu h VAL 99 Cb 1.13 1.47 -0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1ilu h VAL 99 CO 0.92 0.16 0.22 0.28 0.02 0.00 0.00 177.57 179.17 1ilu h SER 100 N 0.00 0.00 0.90 0.57 0.02 -1.88 -0.06 113.55 113.10 1ilu h SER 100 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ilu h SER 100 Cb 0.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1ilu h SER 100 CO 0.02 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 176.00 1ilu n LYS 101 N -3.10 0.06 -3.51 3.45 5.02 -0.97 -4.66 118.16 114.45 1ilu n LYS 101 Ca -0.01 0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1ilu n LYS 101 Cb 0.29 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.71 1ilu n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ilu s LEU 102 N -2.94 5.47 -0.20 -0.35 1.43 -0.04 -5.04 118.68 117.02 1ilu s LEU 102 Ca 0.16 -1.55 -0.25 0.00 -1.03 0.00 0.00 54.13 51.46 1ilu s LEU 102 Cb 0.18 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 1ilu s LEU 102 CO 0.50 -0.62 0.83 -0.75 0.23 0.00 0.00 176.35 176.54 1ilu s LYS 103 N 1.49 4.25 0.60 1.70 2.20 -1.26 -5.04 119.74 123.68 1ilu s LYS 103 Ca 0.04 0.98 -0.19 0.00 -0.36 0.00 0.00 55.97 56.44 1ilu s LYS 103 Cb -0.25 -3.60 -0.03 0.00 -1.51 0.00 0.00 37.83 32.44 1ilu s LYS 103 CO 0.03 -0.40 1.23 -1.21 -0.36 0.00 0.00 175.35 174.64 1ilu s GLU 104 N 2.42 2.92 0.00 4.03 2.02 -1.26 -3.73 118.70 125.09 1ilu s GLU 104 Ca 0.37 1.89 0.00 0.00 0.02 0.00 0.00 54.97 57.25 1ilu s GLU 104 Cb -0.16 -1.93 0.00 0.00 0.10 0.00 0.00 34.13 32.14 1ilu s GLU 104 CO 0.10 -1.27 0.00 0.41 0.02 0.00 0.00 175.26 174.53 1ilu n GLY 105 N 0.59 0.73 3.62 -1.39 0.00 -1.26 -5.07 105.19 102.41 1ilu n GLY 105 Ca 0.14 -0.42 -0.07 0.00 0.00 0.00 0.00 46.02 45.66 1ilu n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ilu s GLU 106 N -3.11 0.39 -0.04 1.61 2.12 -1.24 -5.17 118.70 113.26 1ilu s GLU 106 Ca 0.00 0.25 -0.01 0.00 0.36 0.00 0.00 54.97 55.57 1ilu s GLU 106 Cb 0.00 0.19 -0.04 0.00 0.26 0.00 0.00 34.13 34.54 1ilu s GLU 106 CO 0.00 -0.09 0.04 -0.65 -0.54 0.00 0.00 175.26 174.02 1ilu s GLN 107 N -0.49 2.99 0.23 4.30 1.11 -1.26 -5.01 119.66 121.54 1ilu s GLN 107 Ca 0.03 -0.47 0.11 0.00 0.01 0.00 0.00 55.36 55.04 1ilu s GLN 107 Cb -0.03 -2.81 -0.05 0.00 -1.01 0.00 0.00 33.01 29.11 1ilu s GLN 107 CO -0.05 0.67 -0.20 0.71 0.01 0.00 0.00 175.29 176.43 1ilu s TYR 108 N -1.06 2.13 -0.01 0.91 2.02 -1.26 -0.71 117.35 119.36 1ilu s TYR 108 Ca 0.19 -0.40 0.03 0.00 -0.37 0.00 0.00 57.07 56.52 1ilu s TYR 108 Cb -0.12 -0.98 -0.01 0.00 -0.40 0.00 0.00 41.96 40.46 1ilu s TYR 108 CO 0.09 0.55 -0.09 -1.64 -1.57 0.00 0.00 175.55 172.89 1ilu s MET 109 N -3.24 0.79 -0.07 -0.62 -1.94 -0.54 -2.27 119.30 111.41 1ilu s MET 109 Ca 0.25 -0.33 0.01 0.00 -1.71 0.00 0.00 55.69 53.91 1ilu s MET 109 Cb -0.05 -0.76 -0.03 0.00 2.01 0.00 0.00 34.83 36.00 1ilu s MET 109 CO 0.11 0.19 -0.10 -1.54 -0.01 0.00 0.00 175.02 173.68 1ilu s SER 110 N -0.16 4.41 0.25 3.03 1.04 -0.17 -2.00 113.70 120.09 1ilu s SER 110 Ca 0.03 -0.11 -0.22 0.00 0.48 0.00 0.00 55.95 56.13 1ilu s SER 110 Cb -0.04 -1.14 0.03 0.00 0.10 0.00 0.00 66.02 64.97 1ilu s SER 110 CO -0.00 0.33 0.74 0.72 0.98 0.00 0.00 173.24 176.01 1ilu s PHE 111 N -0.62 -0.22 -0.19 5.02 -0.71 -0.21 -0.03 117.98 121.02 1ilu s PHE 111 Ca 0.09 -0.19 -0.12 0.00 -1.04 0.00 0.00 56.93 55.67 1ilu s PHE 111 Cb -0.11 0.68 -0.05 0.00 -1.21 0.00 0.00 43.02 42.33 1ilu s PHE 111 CO 0.02 -1.14 0.22 0.00 -1.34 0.00 0.00 175.22 172.98 1ilu n THR 113 N 3.75 0.00 -1.66 0.00 -2.24 -1.26 -3.46 114.28 109.41 1ilu n THR 113 Ca -0.13 -0.14 -0.47 0.00 -2.27 0.00 0.00 64.05 61.04 1ilu n THR 113 Cb 0.52 0.41 -0.04 0.00 -2.10 0.00 0.00 70.33 69.12 1ilu n THR 113 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1ilu n PHE 114 N -0.60 2.14 -1.62 4.78 -0.00 -1.26 -4.36 117.46 116.53 1ilu n PHE 114 Ca 0.13 0.35 -0.49 0.00 -0.00 0.00 0.00 57.45 57.43 1ilu n PHE 114 Cb 0.35 -2.50 -0.05 0.00 -0.00 0.00 0.00 39.48 37.28 1ilu n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1ilu n PRO 115 N 3.08 1.59 0.00 -7.13 -0.02 -1.26 -1.44 135.00 129.81 1ilu n PRO 115 Ca 0.16 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1ilu n PRO 115 Cb 0.28 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 1ilu n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ilu n GLY 116 N 2.83 2.30 0.36 -1.23 0.00 -1.26 -4.85 105.19 103.34 1ilu n GLY 116 Ca 0.17 -0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.23 1ilu n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1ilu h HIS 117 N 0.00 0.76 0.00 1.61 3.86 -1.54 -3.06 115.15 116.78 1ilu h HIS 117 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1ilu h HIS 117 Cb 0.00 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.22 1ilu h HIS 117 CO 0.00 0.38 0.00 0.66 0.86 0.00 0.00 177.93 179.83 1ilu h SER 118 N 0.74 0.00 -0.40 2.45 4.64 -1.73 0.27 113.55 119.52 1ilu h SER 118 Ca 0.33 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.62 1ilu h SER 118 Cb 0.34 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 1ilu h SER 118 CO -0.12 0.00 0.16 0.00 -0.87 0.00 0.00 176.83 176.00 1ilu h ALA 119 N 2.01 1.43 0.00 5.18 0.00 -1.90 -3.21 119.26 122.77 1ilu h ALA 119 Ca 0.00 -0.14 -0.34 0.00 0.00 0.00 0.00 54.91 54.43 1ilu h ALA 119 Cb 0.05 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 1ilu h ALA 119 CO 0.00 0.43 -2.30 1.28 0.00 0.00 0.00 179.25 178.65 1ilu n LEU 120 N -4.35 2.88 -3.79 0.00 4.77 -0.90 -4.79 117.00 110.82 1ilu n LEU 120 Ca 0.03 -0.12 -0.42 0.00 -0.03 0.00 0.00 56.01 55.47 1ilu n LEU 120 Cb 0.17 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 1ilu n LEU 120 CO 0.38 0.87 2.01 0.23 -1.33 0.00 0.00 177.39 179.55 1ilu n MET 121 N -3.15 3.85 -4.02 3.23 2.81 0.04 -4.81 117.12 115.06 1ilu n MET 121 Ca -0.40 -3.56 -0.08 0.00 -1.81 0.00 0.00 57.70 51.85 1ilu n MET 121 Cb 0.94 -2.85 -0.10 0.00 -0.71 0.00 0.00 33.22 30.50 1ilu n MET 121 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1ilu s LYS 122 N -0.06 0.52 0.31 0.03 0.00 -1.25 -2.18 119.74 117.12 1ilu s LYS 122 Ca 0.42 -0.95 -0.19 0.00 0.00 0.00 0.00 55.97 55.25 1ilu s LYS 122 Cb 0.11 0.19 0.03 0.00 0.00 0.00 0.00 37.83 38.16 1ilu s LYS 122 CO -0.01 -0.10 0.73 0.20 0.00 0.00 0.00 175.35 176.16 1ilu s GLY 123 N -2.34 0.07 0.09 0.59 0.00 0.95 -4.82 107.32 101.86 1ilu s GLY 123 Ca -0.02 -0.46 0.04 0.00 0.00 0.00 0.00 44.72 44.28 1ilu s GLY 123 CO -0.06 -0.18 0.04 -0.51 0.00 0.00 0.00 173.10 172.39 1ilu s THR 124 N -3.49 4.28 -0.22 0.90 -4.23 -0.48 -1.00 115.64 111.40 1ilu s THR 124 Ca 0.13 -0.89 0.01 0.00 -1.18 0.00 0.00 61.69 59.75 1ilu s THR 124 Cb -0.06 -3.06 0.03 0.00 1.34 0.00 0.00 72.50 70.76 1ilu s THR 124 CO 0.08 0.11 -0.14 -0.22 -0.54 0.00 0.00 174.62 173.92 1ilu s LEU 125 N -2.39 2.76 0.14 4.79 0.20 -0.96 -0.69 118.68 122.52 1ilu s LEU 125 Ca 0.28 -0.89 -0.08 0.00 0.69 0.00 0.00 54.13 54.13 1ilu s LEU 125 Cb -0.12 -1.55 -0.06 0.00 -0.43 0.00 0.00 46.19 44.03 1ilu s LEU 125 CO 0.20 -0.08 0.42 -0.89 -0.29 0.00 0.00 176.35 175.71 1ilu s THR 126 N 1.26 5.10 -0.01 3.68 2.01 0.94 -4.04 115.64 124.57 1ilu s THR 126 Ca 0.00 0.27 0.06 0.00 0.31 0.00 0.00 61.69 62.33 1ilu s THR 126 Cb -0.16 -3.63 -0.02 0.00 0.01 0.00 0.00 72.50 68.71 1ilu s THR 126 CO -0.09 0.11 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.53 1ilu s LEU 127 N -2.41 2.04 0.00 4.42 0.20 -1.26 -0.50 118.68 121.17 1ilu s LEU 127 Ca 0.39 -0.37 0.00 0.00 0.69 0.00 0.00 54.13 54.85 1ilu s LEU 127 Cb -0.13 -1.04 0.00 0.00 -0.43 0.00 0.00 46.19 44.60 1ilu s LEU 127 CO 0.22 0.25 0.00 2.29 -0.29 0.00 0.00 176.35 178.81