#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 0.74 0.00 0.00 2.12 -1.26 -4.93 118.70 115.37 1ilu s GLU 2 Ca 0.00 1.02 0.00 0.00 0.36 0.00 0.00 54.97 56.35 1ilu s GLU 2 Cb 0.00 0.28 0.00 0.00 0.26 0.00 0.00 34.13 34.67 1ilu s GLU 2 CO 0.00 -0.12 0.00 0.00 -0.54 0.00 0.00 175.26 174.60 1ilu s SER 4 N -1.55 -0.04 -0.06 0.00 1.04 -1.26 -2.10 113.70 109.74 1ilu s SER 4 Ca 0.00 -0.11 -0.08 0.00 0.48 0.00 0.00 55.95 56.24 1ilu s SER 4 Cb 0.00 0.24 0.02 0.00 0.10 0.00 0.00 66.02 66.38 1ilu s SER 4 CO 0.00 -0.37 0.21 0.54 0.98 0.00 0.00 173.24 174.60 1ilu s VAL 5 N -1.30 0.03 -0.19 5.02 0.11 -0.77 0.10 120.40 123.40 1ilu s VAL 5 Ca -0.14 -0.21 -0.02 0.00 -2.93 0.00 0.00 61.98 58.68 1ilu s VAL 5 Cb -0.07 -0.37 -0.01 0.00 -1.53 0.00 0.00 36.38 34.40 1ilu s VAL 5 CO 0.02 -0.12 -0.08 -1.81 -3.33 0.00 0.00 175.10 169.78 1ilu s ASP 6 N -0.39 4.09 0.02 3.54 1.11 -1.26 -1.78 116.67 122.00 1ilu s ASP 6 Ca -0.05 -0.40 0.06 0.00 0.18 0.00 0.00 52.55 52.34 1ilu s ASP 6 Cb -0.03 -1.68 -0.02 0.00 1.07 0.00 0.00 42.92 42.26 1ilu s ASP 6 CO 0.01 0.03 -0.19 -0.51 1.18 0.00 0.00 175.17 175.69 1ilu s ILE 7 N 1.16 1.52 -0.04 0.77 2.07 -0.35 -4.97 121.20 121.37 1ilu s ILE 7 Ca 0.02 -0.99 0.03 0.00 -1.41 0.00 0.00 60.65 58.30 1ilu s ILE 7 Cb -0.14 -1.30 0.00 0.00 0.13 0.00 0.00 42.46 41.15 1ilu s ILE 7 CO -0.02 0.29 -0.11 -1.10 -1.91 0.00 0.00 174.94 172.09 1ilu s GLN 8 N -0.82 1.19 -0.13 3.50 -0.21 -1.26 -2.13 119.66 119.81 1ilu s GLN 8 Ca 0.07 -0.36 -0.01 0.00 0.02 0.00 0.00 55.36 55.08 1ilu s GLN 8 Cb -0.08 -1.08 -0.02 0.00 1.00 0.00 0.00 33.01 32.83 1ilu s GLN 8 CO 0.01 0.11 -0.08 0.20 -2.12 0.00 0.00 175.29 173.40 1ilu s GLY 9 N 0.28 1.64 0.00 3.09 0.00 -1.00 -1.40 107.32 109.93 1ilu s GLY 9 Ca -0.05 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 43.80 1ilu s GLY 9 CO 0.01 -0.25 0.00 1.16 0.00 0.00 0.00 173.10 174.03 1ilu n ASN 10 N 3.25 1.30 -0.29 1.64 0.23 -0.63 -3.72 115.26 117.04 1ilu n ASN 10 Ca -0.18 -0.46 0.15 0.00 -0.53 0.00 0.00 54.58 53.56 1ilu n ASN 10 Cb 0.53 0.00 0.69 0.00 -2.08 0.00 0.00 39.78 38.91 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 -0.78 0.90 -1.26 0.53 9.92 -1.26 -2.82 116.55 121.78 1ilu n ASP 11 Ca 0.00 -1.31 0.08 0.00 -0.53 0.00 0.00 54.79 53.03 1ilu n ASP 11 Cb 0.00 -0.00 0.31 0.00 -0.64 0.00 0.00 41.12 40.79 1ilu n ASP 11 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ilu n GLN 12 N -0.30 3.63 -3.86 -1.24 3.00 -1.26 -4.97 117.38 112.39 1ilu n GLN 12 Ca 0.21 -2.90 -0.29 0.00 -0.01 0.00 0.00 57.00 54.01 1ilu n GLN 12 Cb 0.25 -1.94 0.01 0.00 0.00 0.00 0.00 30.24 28.56 1ilu n GLN 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ilu n MET 13 N 0.08 -0.58 -5.03 -1.09 0.00 -1.13 -4.99 117.12 104.38 1ilu n MET 13 Ca 0.23 -0.01 -0.32 0.00 0.00 0.00 0.00 57.70 57.60 1ilu n MET 13 Cb 0.96 -1.36 -0.15 0.00 0.00 0.00 0.00 33.22 32.66 1ilu n MET 13 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1ilu s GLN 14 N -6.17 2.95 0.21 3.17 -0.21 -1.26 -4.54 119.66 113.81 1ilu s GLN 14 Ca 0.27 -0.79 -0.17 0.00 0.02 0.00 0.00 55.36 54.69 1ilu s GLN 14 Cb -0.15 -2.39 -0.08 0.00 1.00 0.00 0.00 33.01 31.39 1ilu s GLN 14 CO 0.65 0.31 0.66 -0.06 -2.12 0.00 0.00 175.29 174.73 1ilu s PHE 15 N 0.05 3.59 0.34 0.91 0.08 -1.26 -1.61 117.98 120.09 1ilu s PHE 15 Ca -0.08 1.24 0.28 0.00 0.12 0.00 0.00 56.93 58.49 1ilu s PHE 15 Cb -0.15 -2.51 1.38 0.00 -0.57 0.00 0.00 43.02 41.17 1ilu s PHE 15 CO 0.05 0.34 2.03 -2.95 -0.10 0.00 0.00 175.22 174.59 1ilu h ASN 16 N 3.30 0.00 -5.12 1.36 -1.07 -1.62 -3.44 115.58 108.99 1ilu h ASN 16 Ca -0.48 0.00 -0.14 0.00 0.07 0.00 0.00 56.30 55.75 1ilu h ASN 16 Cb 1.19 0.00 -0.18 0.00 -2.07 0.00 0.00 38.32 37.26 1ilu h ASN 16 CO 0.66 0.13 -0.69 0.28 0.07 0.00 0.00 177.43 177.88 1ilu s THR 17 N -4.03 0.17 -0.06 6.14 -1.32 -1.26 -5.04 115.64 110.23 1ilu s THR 17 Ca -0.02 -1.40 0.14 0.00 -1.21 0.00 0.00 61.69 59.20 1ilu s THR 17 Cb 0.12 -0.95 0.28 0.00 -1.51 0.00 0.00 72.50 70.44 1ilu s THR 17 CO 0.58 -0.77 1.13 -0.46 -2.21 0.00 0.00 174.62 172.89 1ilu n ASN 18 N 0.78 1.08 -3.69 8.08 0.23 -1.26 -4.88 115.26 115.60 1ilu n ASN 18 Ca -0.18 -2.57 -0.11 0.00 -0.53 0.00 0.00 54.58 51.19 1ilu n ASN 18 Cb 0.58 -0.34 -0.09 0.00 -2.08 0.00 0.00 39.78 37.85 1ilu n ASN 18 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ilu s ALA 19 N -1.13 -1.31 -0.05 -2.53 0.00 -1.25 -2.12 121.76 113.35 1ilu s ALA 19 Ca 0.25 1.65 0.02 0.00 0.00 0.00 0.00 51.96 53.88 1ilu s ALA 19 Cb 0.26 -0.98 0.01 0.00 0.00 0.00 0.00 23.12 22.41 1ilu s ALA 19 CO -0.07 -0.28 -0.10 0.42 0.00 0.00 0.00 175.76 175.74 1ilu s ILE 20 N 0.88 0.92 -0.17 0.00 1.01 0.69 -4.93 121.20 119.60 1ilu s ILE 20 Ca -0.05 -0.36 -0.08 0.00 0.00 0.00 0.00 60.65 60.16 1ilu s ILE 20 Cb -0.05 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.51 1ilu s ILE 20 CO -0.07 0.31 0.08 -0.89 0.00 0.00 0.00 174.94 174.37 1ilu s THR 21 N 0.69 5.00 -0.29 2.92 2.01 -1.26 -0.73 115.64 123.98 1ilu s THR 21 Ca -0.13 0.04 -0.02 0.00 0.31 0.00 0.00 61.69 61.89 1ilu s THR 21 Cb -0.15 -3.24 0.04 0.00 0.01 0.00 0.00 72.50 69.16 1ilu s THR 21 CO 0.02 0.49 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.74 1ilu s VAL 22 N 0.11 3.03 0.15 3.82 1.01 0.68 -4.90 120.40 124.29 1ilu s VAL 22 Ca 0.06 -1.24 -0.31 0.00 0.00 0.00 0.00 61.98 60.49 1ilu s VAL 22 Cb -0.12 -2.68 -0.09 0.00 0.00 0.00 0.00 36.38 33.50 1ilu s VAL 22 CO 0.00 -0.02 1.43 -0.62 0.00 0.00 0.00 175.10 175.89 1ilu s ASP 23 N 1.29 6.76 0.58 3.32 2.15 -1.26 -2.04 116.67 127.47 1ilu s ASP 23 Ca -0.03 2.45 0.36 0.00 0.43 0.00 0.00 52.55 55.75 1ilu s ASP 23 Cb -0.19 -2.60 1.74 0.00 -0.30 0.00 0.00 42.92 41.57 1ilu s ASP 23 CO -0.02 -0.68 2.13 0.11 -0.17 0.00 0.00 175.17 176.54 1ilu h LYS 24 N 6.39 0.00 0.00 4.34 1.57 -1.48 -1.99 116.57 125.40 1ilu h LYS 24 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1ilu h LYS 24 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1ilu h LYS 24 CO 0.85 0.03 0.00 0.43 -0.57 0.00 0.00 179.45 180.19 1ilu n SER 25 N -3.18 0.49 -4.71 0.86 7.64 -1.26 -4.73 113.62 108.73 1ilu n SER 25 Ca -0.01 0.62 -0.42 0.00 1.01 0.00 0.00 58.87 60.07 1ilu n SER 25 Cb 0.22 -0.72 -0.03 0.00 -1.01 0.00 0.00 64.21 62.67 1ilu n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ilu h LYS 27 N 6.91 0.60 -5.06 0.00 6.56 -1.89 -3.41 116.57 120.28 1ilu h LYS 27 Ca -0.40 -0.53 -0.34 0.00 -1.06 0.00 0.00 60.65 58.32 1ilu h LYS 27 Cb 1.21 0.12 -0.15 0.00 -0.57 0.00 0.00 32.23 32.84 1ilu h LYS 27 CO 0.81 1.15 -0.70 -0.65 -2.06 0.00 0.00 179.45 178.00 1ilu s GLN 28 N -3.58 1.14 -0.02 3.15 1.11 -1.26 -2.03 119.66 118.18 1ilu s GLN 28 Ca -0.12 -1.52 0.05 0.00 0.01 0.00 0.00 55.36 53.79 1ilu s GLN 28 Cb 0.06 -0.61 -0.01 0.00 -1.01 0.00 0.00 33.01 31.44 1ilu s GLN 28 CO 0.86 0.02 -0.18 0.12 0.01 0.00 0.00 175.29 176.12 1ilu s PHE 29 N -3.36 1.61 -0.10 0.91 5.36 0.34 -4.80 117.98 117.93 1ilu s PHE 29 Ca 0.20 -0.32 0.01 0.00 -0.96 0.00 0.00 56.93 55.86 1ilu s PHE 29 Cb 0.03 -1.04 -0.02 0.00 -0.34 0.00 0.00 43.02 41.66 1ilu s PHE 29 CO 0.03 -0.04 -0.15 0.99 -1.46 0.00 0.00 175.22 174.59 1ilu s THR 30 N -0.37 2.93 -0.18 0.12 2.01 -0.89 -1.73 115.64 117.52 1ilu s THR 30 Ca 0.06 -0.73 -0.04 0.00 0.31 0.00 0.00 61.69 61.29 1ilu s THR 30 Cb -0.07 -2.19 -0.02 0.00 0.01 0.00 0.00 72.50 70.22 1ilu s THR 30 CO -0.00 0.54 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.75 1ilu s VAL 31 N 0.07 3.81 -0.20 3.82 1.01 0.38 -1.85 120.40 127.45 1ilu s VAL 31 Ca -0.06 -0.37 -0.05 0.00 0.00 0.00 0.00 61.98 61.50 1ilu s VAL 31 Cb -0.15 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 1ilu s VAL 31 CO 0.05 0.46 0.01 0.20 0.00 0.00 0.00 175.10 175.81 1ilu s ASN 32 N 0.78 4.93 -0.11 3.32 0.01 -0.73 -0.87 114.94 122.25 1ilu s ASN 32 Ca -0.01 -0.17 0.02 0.00 -0.71 0.00 0.00 52.86 51.99 1ilu s ASN 32 Cb -0.14 -1.84 -0.01 0.00 0.41 0.00 0.00 41.25 39.66 1ilu s ASN 32 CO 0.02 0.08 -0.16 -0.22 -1.51 0.00 0.00 177.10 175.30 1ilu s LEU 33 N 0.94 2.55 0.20 0.60 2.96 0.10 -1.21 118.68 124.81 1ilu s LEU 33 Ca 0.02 -0.37 0.05 0.00 -0.22 0.00 0.00 54.13 53.61 1ilu s LEU 33 Cb -0.14 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 44.95 1ilu s LEU 33 CO 0.02 0.19 -0.08 -0.94 -1.32 0.00 0.00 176.35 174.22 1ilu s SER 34 N 0.18 2.08 -0.45 3.68 1.04 -0.90 -0.87 113.70 118.45 1ilu s SER 34 Ca -0.09 -1.09 0.02 0.00 0.48 0.00 0.00 55.95 55.27 1ilu s SER 34 Cb -0.16 -0.05 0.14 0.00 0.10 0.00 0.00 66.02 66.05 1ilu s SER 34 CO 0.06 -0.35 0.25 -2.28 0.98 0.00 0.00 173.24 171.90 1ilu s HIS 35 N -3.24 2.03 1.03 5.02 2.46 -1.06 -2.37 115.29 119.16 1ilu s HIS 35 Ca 0.22 -2.47 -0.11 0.00 0.47 0.00 0.00 55.06 53.17 1ilu s HIS 35 Cb 0.03 -1.89 0.21 0.00 -0.13 0.00 0.00 32.58 30.80 1ilu s HIS 35 CO 0.05 -0.77 1.09 -0.35 -2.47 0.00 0.00 174.74 172.29 1ilu n PRO 36 N 3.44 -1.33 0.00 2.88 -0.04 -1.24 -2.00 135.00 136.71 1ilu n PRO 36 Ca 0.10 -0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.22 1ilu n PRO 36 Cb 0.35 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 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 0.60 -0.91 0.00 0.55 0.00 -1.26 -3.99 105.19 100.18 1ilu n GLY 37 Ca 0.08 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.97 1ilu n GLY 37 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ilu n ASN 38 N 0.00 0.00 -4.80 1.61 0.23 -1.26 -4.65 115.26 106.39 1ilu n ASN 38 Ca 0.00 -1.00 -0.39 0.00 -0.53 0.00 0.00 54.58 52.66 1ilu n ASN 38 Cb 0.00 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.64 1ilu n ASN 38 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1ilu s LEU 39 N 0.00 4.53 0.87 -4.53 1.43 -1.26 -4.85 118.68 114.87 1ilu s LEU 39 Ca 0.00 1.45 -0.11 0.00 -1.03 0.00 0.00 54.13 54.44 1ilu s LEU 39 Cb 0.00 -3.16 0.11 0.00 0.03 0.00 0.00 46.19 43.17 1ilu s LEU 39 CO 0.00 0.21 1.10 -2.16 0.23 0.00 0.00 176.35 175.74 1ilu s PRO 40 N -1.25 1.48 0.24 1.29 0.04 -1.26 -2.85 135.00 132.69 1ilu s PRO 40 Ca 0.34 1.16 -0.04 0.00 0.04 0.00 0.00 61.00 62.49 1ilu s PRO 40 Cb -0.21 -1.81 0.42 0.00 0.04 0.00 0.00 34.50 32.94 1ilu s PRO 40 CO 0.23 -2.19 1.78 -0.22 0.04 0.00 0.00 177.00 176.64 1ilu h LYS 41 N -1.52 0.62 0.00 4.56 3.64 -1.88 -0.81 116.57 121.18 1ilu h LYS 41 Ca -0.46 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1ilu h LYS 41 Cb 1.26 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1ilu h LYS 41 CO 0.50 0.41 0.00 0.27 -2.27 0.00 0.00 179.45 178.36 1ilu n ASN 42 N -4.85 0.19 0.00 4.20 6.94 -1.26 -0.07 115.26 120.42 1ilu n ASN 42 Ca 0.14 0.55 0.00 0.00 -0.02 0.00 0.00 54.58 55.25 1ilu n ASN 42 Cb 0.33 -0.59 0.00 0.00 -2.36 0.00 0.00 39.78 37.16 1ilu n ASN 42 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 1ilu n VAL 43 N -1.72 0.00 -2.44 3.53 0.24 -0.80 -4.86 118.33 112.28 1ilu n VAL 43 Ca 0.02 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.36 1ilu n VAL 43 Cb 0.16 -0.59 0.02 0.00 -1.47 0.00 0.00 33.84 31.96 1ilu n VAL 43 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 1ilu n MET 44 N -1.85 0.04 -1.80 7.34 0.00 -0.38 -5.04 117.12 115.44 1ilu n MET 44 Ca 0.00 -1.96 -0.38 0.00 0.00 0.00 0.00 57.70 55.36 1ilu n MET 44 Cb 0.36 -0.08 0.04 0.00 0.00 0.00 0.00 33.22 33.54 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 -1.96 2.89 0.03 -5.12 0.00 0.91 -4.83 107.32 99.23 1ilu s GLY 45 Ca 0.31 1.33 0.02 0.00 0.00 0.00 0.00 44.72 46.38 1ilu s GLY 45 CO -0.15 1.85 -0.06 0.30 0.00 0.00 0.00 173.10 175.04 1ilu s HIS 46 N -1.31 0.51 0.35 1.90 3.76 -0.24 -4.75 115.29 115.51 1ilu s HIS 46 Ca 0.71 -0.40 0.06 0.00 -0.15 0.00 0.00 55.06 55.28 1ilu s HIS 46 Cb -0.40 -0.32 -0.03 0.00 1.11 0.00 0.00 32.58 32.94 1ilu s HIS 46 CO 0.48 -0.08 0.24 0.54 -0.85 0.00 0.00 174.74 175.06 1ilu s ASN 47 N -1.18 1.92 -0.11 1.40 4.22 -1.26 -1.02 114.94 118.91 1ilu s ASN 47 Ca -0.08 -1.73 -0.01 0.00 -2.14 0.00 0.00 52.86 48.89 1ilu s ASN 47 Cb -0.08 0.55 0.03 0.00 1.28 0.00 0.00 41.25 43.03 1ilu s ASN 47 CO -0.00 -1.03 -0.02 0.86 -2.04 0.00 0.00 177.10 174.87 1ilu s TRP 48 N -3.41 1.07 -0.02 1.54 -0.00 -1.26 -4.29 118.94 112.57 1ilu s TRP 48 Ca 0.36 -0.53 0.07 0.00 -0.00 0.00 0.00 56.10 56.00 1ilu s TRP 48 Cb 0.02 -1.01 -0.02 0.00 -0.00 0.00 0.00 33.47 32.46 1ilu s TRP 48 CO 0.24 -0.45 -0.24 0.08 -0.00 0.00 0.00 176.95 176.58 1ilu s VAL 49 N 1.84 1.88 -0.11 5.86 1.01 0.52 -1.14 120.40 130.27 1ilu s VAL 49 Ca 0.04 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 61.04 1ilu s VAL 49 Cb -0.13 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.68 1ilu s VAL 49 CO -0.07 0.53 -0.23 -0.22 0.00 0.00 0.00 175.10 175.11 1ilu s LEU 50 N -0.50 2.14 0.00 3.92 2.96 0.13 -0.83 118.68 126.50 1ilu s LEU 50 Ca 0.07 -0.55 -0.01 0.00 -0.22 0.00 0.00 54.13 53.42 1ilu s LEU 50 Cb -0.10 -1.43 0.01 0.00 0.50 0.00 0.00 46.19 45.17 1ilu s LEU 50 CO -0.00 0.15 0.33 -1.54 -1.32 0.00 0.00 176.35 173.97 1ilu n SER 51 N 3.59 -0.93 -4.80 3.68 3.41 -0.81 -1.36 113.62 116.40 1ilu n SER 51 Ca -0.19 -2.29 -0.32 0.00 -0.26 0.00 0.00 58.87 55.81 1ilu n SER 51 Cb 0.53 1.74 0.05 0.00 -0.26 0.00 0.00 64.21 66.27 1ilu n SER 51 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1ilu s THR 52 N -2.69 3.68 0.48 6.66 -4.23 -1.26 -1.44 115.64 116.84 1ilu s THR 52 Ca 0.20 0.64 0.13 0.00 -1.18 0.00 0.00 61.69 61.47 1ilu s THR 52 Cb -0.01 -3.23 0.27 0.00 1.34 0.00 0.00 72.50 70.87 1ilu s THR 52 CO 0.14 -0.63 2.11 0.00 -0.54 0.00 0.00 174.62 175.71 1ilu h ALA 53 N -0.44 1.89 0.00 3.99 0.00 -1.05 -1.34 119.26 122.32 1ilu h ALA 53 Ca -0.45 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 1ilu h ALA 53 Cb 1.22 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1ilu h ALA 53 CO 0.55 0.10 -0.19 0.00 0.00 0.00 0.00 179.25 179.71 1ilu h ALA 54 N 1.91 0.94 0.00 0.00 0.00 -1.92 -3.26 119.26 116.93 1ilu h ALA 54 Ca 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1ilu h ALA 54 Cb -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1ilu h ALA 54 CO -0.01 0.24 -0.98 -0.25 0.00 0.00 0.00 179.25 178.26 1ilu n ASP 55 N -3.25 0.65 -0.10 0.00 8.00 -0.53 -4.45 116.55 116.89 1ilu n ASP 55 Ca 0.01 -0.38 -0.07 0.00 0.71 0.00 0.00 54.79 55.06 1ilu n ASP 55 Cb 0.49 0.80 -0.01 0.00 -0.02 0.00 0.00 41.12 42.38 1ilu n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1ilu h MET 56 N 0.00 -0.23 -0.27 -1.24 4.05 -1.55 -1.83 114.93 113.86 1ilu h MET 56 Ca 0.00 0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.42 1ilu h MET 56 Cb 0.65 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.49 1ilu h MET 56 CO 0.00 -0.15 0.08 0.37 0.23 0.00 0.00 176.91 177.44 1ilu h GLN 57 N -0.24 0.38 -0.14 0.39 5.75 -1.82 -0.61 115.11 118.82 1ilu h GLN 57 Ca 0.17 -0.05 -0.15 0.00 -0.15 0.00 0.00 58.65 58.47 1ilu h GLN 57 Cb 0.51 -0.07 0.01 0.00 1.07 0.00 0.00 27.48 28.99 1ilu h GLN 57 CO -0.49 0.34 -0.49 0.78 -2.65 0.00 0.00 178.83 176.32 1ilu h GLY 58 N 0.57 0.63 0.63 2.39 0.00 -1.80 -1.84 103.07 103.65 1ilu h GLY 58 Ca 0.09 -0.84 0.07 0.00 0.00 0.00 0.00 47.33 46.65 1ilu h GLY 58 CO -0.01 0.75 0.35 -2.08 0.00 0.00 0.00 176.54 175.55 1ilu h VAL 59 N 0.21 0.93 -0.15 4.60 2.07 -0.41 -0.62 116.25 122.88 1ilu h VAL 59 Ca -0.02 -0.22 -0.09 0.00 0.82 0.00 0.00 66.70 67.19 1ilu h VAL 59 Cb 1.12 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1ilu h VAL 59 CO 0.10 0.12 -0.27 0.58 0.02 0.00 0.00 177.57 178.12 1ilu h VAL 60 N 0.63 1.36 -0.17 2.57 2.07 -1.15 0.10 116.25 121.66 1ilu h VAL 60 Ca 0.30 -1.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.31 1ilu h VAL 60 Cb 0.23 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1ilu h VAL 60 CO -0.20 0.45 0.11 0.74 0.02 0.00 0.00 177.57 178.68 1ilu h THR 61 N 0.07 1.07 -0.07 2.57 2.02 -1.08 -1.80 112.91 115.69 1ilu h THR 61 Ca 0.01 -0.15 -0.14 0.00 0.77 0.00 0.00 66.41 66.90 1ilu h THR 61 Cb 0.85 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 1ilu h THR 61 CO 0.06 0.06 -0.59 0.44 0.37 0.00 0.00 175.52 175.86 1ilu h ASP 62 N 0.21 0.27 0.44 4.18 3.32 -1.15 -2.87 116.42 120.82 1ilu h ASP 62 Ca 0.06 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 1ilu h ASP 62 Cb 0.01 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1ilu h ASP 62 CO -0.01 0.80 -0.33 1.23 -1.72 0.00 0.00 179.24 179.21 1ilu h GLY 63 N 1.45 -0.81 0.48 2.75 0.00 -0.88 -2.11 103.07 103.95 1ilu h GLY 63 Ca -0.00 0.37 0.11 0.00 0.00 0.00 0.00 47.33 47.80 1ilu h GLY 63 CO 0.09 -0.30 0.55 1.98 0.00 0.00 0.00 176.54 178.86 1ilu h MET 64 N -0.75 0.86 0.00 4.80 1.85 -1.31 -0.93 114.93 119.45 1ilu h MET 64 Ca -0.04 -0.05 -0.03 0.00 -0.61 0.00 0.00 59.70 58.96 1ilu h MET 64 Cb 0.64 -0.19 -0.00 0.00 0.43 0.00 0.00 31.60 32.47 1ilu h MET 64 CO 0.01 0.57 -0.16 0.00 -0.40 0.00 0.00 176.91 176.93 1ilu h ALA 65 N 1.50 1.46 0.00 0.39 0.00 -1.28 -3.10 119.26 118.23 1ilu h ALA 65 Ca 0.45 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1ilu h ALA 65 Cb 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ilu h ALA 65 CO -0.26 0.20 0.00 0.43 0.00 0.00 0.00 179.25 179.61 1ilu n SER 66 N -3.94 0.00 -0.57 0.00 7.64 -0.35 -5.02 113.62 111.37 1ilu n SER 66 Ca -0.02 -1.36 0.07 0.00 1.01 0.00 0.00 58.87 58.58 1ilu n SER 66 Cb 0.25 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.42 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 0.32 -2.01 0.17 0.23 0.00 -1.17 -3.65 105.19 99.08 1ilu n GLY 67 Ca 0.04 -1.36 -0.12 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.54 0.53 -2.25 0.99 5.85 -1.93 -2.19 115.31 115.77 1ilu h LEU 68 Ca -0.02 -0.42 0.03 0.00 0.84 0.00 0.00 57.88 58.30 1ilu h LEU 68 Cb 0.53 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 1ilu h LEU 68 CO 0.01 0.84 0.10 -2.24 -0.34 0.00 0.00 178.44 176.81 1ilu h ASP 69 N 0.23 0.00 -0.40 1.25 2.03 -2.02 0.11 116.42 117.63 1ilu h ASP 69 Ca 0.05 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.35 1ilu h ASP 69 Cb 0.65 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.15 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 -4.02 1.96 -2.38 4.15 4.76 -1.24 -4.89 118.16 116.50 1ilu n LYS 70 Ca -0.01 -1.49 -0.08 0.00 -2.87 0.00 0.00 58.31 53.87 1ilu n LYS 70 Cb 0.20 -1.34 0.01 0.00 -1.84 0.00 0.00 35.03 32.06 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 0.71 -3.00 -3.82 4.39 8.00 0.38 -3.50 116.55 119.72 1ilu n ASP 71 Ca 0.14 -0.07 -0.27 0.00 0.71 0.00 0.00 54.79 55.31 1ilu n ASP 71 Cb 0.36 -2.07 0.03 0.00 -0.02 0.00 0.00 41.12 39.42 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 -3.80 -2.26 -3.80 1.24 4.01 -0.82 -4.67 117.16 107.06 1ilu n TYR 72 Ca -0.06 0.90 -0.13 0.00 -0.16 0.00 0.00 57.90 58.46 1ilu n TYR 72 Cb 0.55 -4.21 -0.13 0.00 -0.31 0.00 0.00 39.34 35.24 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 -7.12 1.18 -0.00 7.72 1.43 -1.23 -4.07 118.68 116.60 1ilu s LEU 73 Ca 0.47 0.31 -0.30 0.00 -1.03 0.00 0.00 54.13 53.58 1ilu s LEU 73 Cb -0.23 0.47 -0.06 0.00 0.03 0.00 0.00 46.19 46.40 1ilu s LEU 73 CO 0.81 -0.08 1.48 -0.75 0.23 0.00 0.00 176.35 178.04 1ilu s LYS 74 N 0.45 4.25 -0.05 1.70 2.20 -1.26 -4.79 119.74 122.23 1ilu s LYS 74 Ca -0.03 2.06 -0.37 0.00 -0.36 0.00 0.00 55.97 57.27 1ilu s LYS 74 Cb -0.05 -3.64 -0.15 0.00 -1.51 0.00 0.00 37.83 32.49 1ilu s LYS 74 CO -0.02 -0.65 1.64 -2.30 -0.36 0.00 0.00 175.35 173.66 1ilu n PRO 75 N 5.72 1.58 -3.91 4.03 -0.02 -1.26 -1.84 135.00 139.30 1ilu n PRO 75 Ca 0.14 0.58 -0.35 0.00 -2.02 0.00 0.00 63.50 61.85 1ilu n PRO 75 Cb 0.43 -2.30 0.01 0.00 -0.02 0.00 0.00 33.50 31.62 1ilu n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1ilu n ASP 76 N 4.56 -3.68 -4.67 2.55 8.00 -1.26 -4.91 116.55 117.14 1ilu n ASP 76 Ca 0.22 -1.04 -0.43 0.00 0.71 0.00 0.00 54.79 54.25 1ilu n ASP 76 Cb 0.21 -1.35 -0.02 0.00 -0.02 0.00 0.00 41.12 39.94 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 -3.47 6.96 0.33 -2.24 -1.08 -0.77 -4.92 116.67 111.48 1ilu s ASP 77 Ca 0.30 1.79 0.26 0.00 -0.52 0.00 0.00 52.55 54.37 1ilu s ASP 77 Cb -0.17 -2.55 1.06 0.00 -1.46 0.00 0.00 42.92 39.81 1ilu s ASP 77 CO 0.82 -0.71 1.78 0.77 0.52 0.00 0.00 175.17 178.35 1ilu h SER 78 N 8.01 0.00 0.92 -0.34 4.64 -1.91 -2.98 113.55 121.90 1ilu h SER 78 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1ilu h SER 78 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1ilu h SER 78 CO 0.94 0.00 -0.23 0.54 -0.87 0.00 0.00 176.83 177.20 1ilu n ARG 79 N -2.46 0.09 -3.20 4.77 1.74 -1.26 -4.79 116.66 111.54 1ilu n ARG 79 Ca 0.02 0.05 -0.41 0.00 -0.77 0.00 0.00 57.85 56.74 1ilu n ARG 79 Cb 0.26 -1.58 -0.07 0.00 -1.02 0.00 0.00 32.46 30.05 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 -3.04 4.99 -0.12 1.55 1.01 -1.13 -4.55 120.40 119.11 1ilu s VAL 80 Ca 0.11 0.56 -0.28 0.00 0.00 0.00 0.00 61.98 62.37 1ilu s VAL 80 Cb 0.17 -3.96 -0.26 0.00 0.00 0.00 0.00 36.38 32.33 1ilu s VAL 80 CO 0.62 -0.16 0.82 0.40 0.00 0.00 0.00 175.10 176.78 1ilu h ILE 81 N 5.57 1.75 -2.97 2.22 2.04 -1.52 -3.48 117.51 121.11 1ilu h ILE 81 Ca -0.28 -2.25 -0.05 0.00 1.00 0.00 0.00 64.86 63.29 1ilu h ILE 81 Cb 1.12 3.27 -0.14 0.00 -0.74 0.00 0.00 36.82 40.34 1ilu h ILE 81 CO 0.77 0.59 0.07 0.00 0.00 0.00 0.00 178.15 179.58 1ilu s ALA 82 N -2.42 -1.32 0.18 1.87 0.00 -1.24 -5.01 121.76 113.81 1ilu s ALA 82 Ca -0.18 0.43 -0.22 0.00 0.00 0.00 0.00 51.96 51.98 1ilu s ALA 82 Cb -0.02 0.60 0.06 0.00 0.00 0.00 0.00 23.12 23.75 1ilu s ALA 82 CO 0.69 -0.62 0.59 -3.38 0.00 0.00 0.00 175.76 173.05 1ilu s HIS 83 N -3.14 -0.43 0.00 0.00 -3.43 -1.26 -0.70 115.29 106.34 1ilu s HIS 83 Ca -0.01 0.16 0.00 0.00 -0.80 0.00 0.00 55.06 54.41 1ilu s HIS 83 Cb -0.00 0.54 0.00 0.00 -1.43 0.00 0.00 32.58 31.69 1ilu s HIS 83 CO -0.07 -0.89 0.00 0.25 -2.00 0.00 0.00 174.74 172.02 1ilu n THR 84 N -0.37 0.00 -2.60 -5.38 -2.24 -0.29 -4.82 114.28 98.58 1ilu n THR 84 Ca -0.15 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.41 1ilu n THR 84 Cb 0.64 -0.87 0.08 0.00 -2.10 0.00 0.00 70.33 68.07 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 -0.13 2.05 -0.10 -0.78 -0.14 -1.26 -4.74 119.74 114.65 1ilu s LYS 85 Ca 0.00 -0.96 -0.24 0.00 -1.36 0.00 0.00 55.97 53.41 1ilu s LYS 85 Cb 0.00 -2.39 -0.03 0.00 -1.68 0.00 0.00 37.83 33.73 1ilu s LYS 85 CO 0.00 -1.14 0.77 -1.17 -0.76 0.00 0.00 175.35 173.05 1ilu s LEU 86 N -4.99 4.26 0.18 3.17 2.96 -1.26 -4.34 118.68 118.67 1ilu s LEU 86 Ca 0.62 1.21 0.08 0.00 -0.22 0.00 0.00 54.13 55.82 1ilu s LEU 86 Cb -0.08 -3.17 -0.04 0.00 0.50 0.00 0.00 46.19 43.41 1ilu s LEU 86 CO 0.42 -0.23 -0.17 0.27 -1.32 0.00 0.00 176.35 175.31 1ilu s ILE 87 N 1.33 1.82 0.21 6.68 -4.36 -0.19 -4.86 121.20 121.83 1ilu s ILE 87 Ca 0.39 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.79 1ilu s ILE 87 Cb -0.18 -1.90 0.02 0.00 1.25 0.00 0.00 42.46 41.65 1ilu s ILE 87 CO 0.17 -0.38 0.16 0.61 0.24 0.00 0.00 174.94 175.73 1ilu n GLY 88 N 0.10 2.88 3.71 6.27 0.00 -1.26 -1.08 105.19 115.81 1ilu n GLY 88 Ca -0.12 -2.22 -0.42 0.00 0.00 0.00 0.00 46.02 43.27 1ilu n GLY 88 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ilu s SER 89 N -2.21 6.63 0.00 1.61 0.01 -1.13 -2.09 113.70 116.51 1ilu s SER 89 Ca 0.12 2.55 0.00 0.00 1.31 0.00 0.00 55.95 59.93 1ilu s SER 89 Cb -0.01 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.63 1ilu s SER 89 CO 0.08 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 173.53 1ilu n GLY 90 N 3.76 3.30 3.92 3.44 0.00 -0.85 -4.97 105.19 113.79 1ilu n GLY 90 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.62 2.22 -0.01 1.61 2.02 -0.89 -4.89 118.70 118.14 1ilu s GLU 91 Ca 0.00 -0.13 -0.19 0.00 0.02 0.00 0.00 54.97 54.67 1ilu s GLU 91 Cb 0.00 -2.12 0.04 0.00 0.10 0.00 0.00 34.13 32.14 1ilu s GLU 91 CO 0.00 -1.27 0.41 0.21 0.02 0.00 0.00 175.26 174.63 1ilu s LYS 92 N -5.31 0.80 0.18 1.61 2.47 -1.26 -2.55 119.74 115.68 1ilu s LYS 92 Ca 0.60 -0.11 -0.17 0.00 -1.56 0.00 0.00 55.97 54.73 1ilu s LYS 92 Cb -0.11 0.36 0.03 0.00 -1.46 0.00 0.00 37.83 36.65 1ilu s LYS 92 CO 0.46 -0.24 0.49 0.34 0.16 0.00 0.00 175.35 176.56 1ilu s ASP 93 N -1.39 -0.25 0.05 1.43 2.15 -0.05 -4.99 116.67 113.62 1ilu s ASP 93 Ca -0.12 -0.44 0.03 0.00 0.43 0.00 0.00 52.55 52.45 1ilu s ASP 93 Cb -0.03 0.55 -0.02 0.00 -0.30 0.00 0.00 42.92 43.11 1ilu s ASP 93 CO 0.05 -1.00 -0.09 -0.44 -0.17 0.00 0.00 175.17 173.52 1ilu s SER 94 N -2.86 1.07 -0.02 -0.34 0.01 -1.26 0.01 113.70 110.31 1ilu s SER 94 Ca 0.08 -0.55 0.01 0.00 1.31 0.00 0.00 55.95 56.80 1ilu s SER 94 Cb -0.00 0.01 0.01 0.00 0.21 0.00 0.00 66.02 66.25 1ilu s SER 94 CO -0.05 -0.16 -0.04 0.54 0.41 0.00 0.00 173.24 173.95 1ilu s VAL 95 N -1.29 0.38 -0.09 3.43 0.11 -0.05 -4.94 120.40 117.94 1ilu s VAL 95 Ca -0.07 -0.12 0.04 0.00 -2.93 0.00 0.00 61.98 58.90 1ilu s VAL 95 Cb -0.10 -0.38 -0.00 0.00 -1.53 0.00 0.00 36.38 34.37 1ilu s VAL 95 CO 0.01 0.15 -0.23 -0.89 -3.33 0.00 0.00 175.10 170.80 1ilu s THR 96 N 0.40 2.14 0.06 5.04 2.01 -1.25 -0.47 115.64 123.56 1ilu s THR 96 Ca -0.04 -1.00 0.00 0.00 0.31 0.00 0.00 61.69 60.95 1ilu s THR 96 Cb -0.08 -1.81 -0.04 0.00 0.01 0.00 0.00 72.50 70.59 1ilu s THR 96 CO -0.00 0.56 -0.05 0.72 -0.69 0.00 0.00 174.62 175.16 1ilu s PHE 97 N 0.20 0.59 -0.03 4.92 -0.71 -0.71 -4.92 117.98 117.33 1ilu s PHE 97 Ca -0.14 -0.86 -0.30 0.00 -1.04 0.00 0.00 56.93 54.58 1ilu s PHE 97 Cb -0.17 -0.39 -0.04 0.00 -1.21 0.00 0.00 43.02 41.21 1ilu s PHE 97 CO 0.07 -0.25 1.30 -0.51 -1.34 0.00 0.00 175.22 174.50 1ilu s ASP 98 N -2.53 6.95 0.26 1.98 1.01 -1.26 -0.50 116.67 122.58 1ilu s ASP 98 Ca 0.02 1.96 0.21 0.00 0.71 0.00 0.00 52.55 55.46 1ilu s ASP 98 Cb 0.02 -2.56 0.99 0.00 1.01 0.00 0.00 42.92 42.38 1ilu s ASP 98 CO -0.06 -0.65 1.65 0.52 0.21 0.00 0.00 175.17 176.84 1ilu n VAL 99 N 4.63 0.96 0.27 -1.27 0.31 -0.86 -2.37 118.33 120.02 1ilu n VAL 99 Ca 0.12 0.43 0.11 0.00 -0.01 0.00 0.00 64.34 64.99 1ilu n VAL 99 Cb 0.45 -1.38 0.76 0.00 -0.91 0.00 0.00 33.84 32.76 1ilu n VAL 99 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1ilu h SER 100 N 0.00 0.00 0.73 4.52 4.64 -1.86 -1.90 113.55 119.68 1ilu h SER 100 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ilu h SER 100 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1ilu h SER 100 CO 0.00 0.02 0.00 0.11 -0.87 0.00 0.00 176.83 176.09 1ilu h LYS 101 N 0.00 0.00 -5.44 4.77 1.57 -1.88 -3.41 116.57 112.18 1ilu h LYS 101 Ca -0.00 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.15 1ilu h LYS 101 Cb 0.03 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.21 1ilu h LYS 101 CO 0.00 0.00 0.10 -0.51 -0.57 0.00 0.00 179.45 178.48 1ilu s LEU 102 N -5.21 4.22 0.03 2.94 1.43 -0.71 -5.06 118.68 116.31 1ilu s LEU 102 Ca 0.02 0.24 -0.09 0.00 -1.03 0.00 0.00 54.13 53.27 1ilu s LEU 102 Cb 0.09 -2.75 -0.05 0.00 0.03 0.00 0.00 46.19 43.50 1ilu s LEU 102 CO 0.43 -0.52 0.34 -0.75 0.23 0.00 0.00 176.35 176.08 1ilu s LYS 103 N 2.60 3.70 0.71 1.70 2.20 -1.26 -5.06 119.74 124.32 1ilu s LYS 103 Ca 0.24 0.11 -0.14 0.00 -0.36 0.00 0.00 55.97 55.81 1ilu s LYS 103 Cb -0.15 -3.08 0.03 0.00 -1.51 0.00 0.00 37.83 33.12 1ilu s LYS 103 CO 0.13 0.63 1.14 -2.00 -0.36 0.00 0.00 175.35 174.89 1ilu s GLU 104 N -1.66 2.46 -0.90 4.03 2.56 -1.26 -3.78 118.70 120.15 1ilu s GLU 104 Ca 0.28 1.48 -0.02 0.00 0.00 0.00 0.00 54.97 56.71 1ilu s GLU 104 Cb -0.14 -1.90 0.00 0.00 2.00 0.00 0.00 34.13 34.09 1ilu s GLU 104 CO 0.16 -1.53 0.26 0.41 -0.56 0.00 0.00 175.26 173.99 1ilu n GLY 105 N -0.30 -0.02 3.01 -1.50 0.00 -1.26 -5.02 105.19 100.11 1ilu n GLY 105 Ca 0.11 -0.30 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 -5.04 0.29 -0.13 1.61 2.12 -1.25 -5.15 118.70 111.15 1ilu s GLU 106 Ca 0.13 -0.32 -0.02 0.00 0.36 0.00 0.00 54.97 55.12 1ilu s GLU 106 Cb -0.06 0.12 -0.03 0.00 0.26 0.00 0.00 34.13 34.42 1ilu s GLU 106 CO 0.16 -0.06 -0.06 -0.65 -0.54 0.00 0.00 175.26 174.12 1ilu s GLN 107 N -0.96 3.43 0.11 4.30 1.11 -1.26 -5.01 119.66 121.38 1ilu s GLN 107 Ca -0.10 -0.55 0.09 0.00 0.01 0.00 0.00 55.36 54.81 1ilu s GLN 107 Cb -0.06 -2.80 -0.04 0.00 -1.01 0.00 0.00 33.01 29.10 1ilu s GLN 107 CO 0.00 0.33 -0.23 0.71 0.01 0.00 0.00 175.29 176.12 1ilu s TYR 108 N 0.09 1.96 0.03 0.91 2.02 -1.26 -0.44 117.35 120.67 1ilu s TYR 108 Ca -0.02 -0.40 0.04 0.00 -0.37 0.00 0.00 57.07 56.32 1ilu s TYR 108 Cb -0.14 -1.07 -0.02 0.00 -0.40 0.00 0.00 41.96 40.33 1ilu s TYR 108 CO 0.03 0.24 -0.12 -1.64 -1.57 0.00 0.00 175.55 172.49 1ilu s MET 109 N -1.91 0.84 0.01 -0.62 -1.94 -0.52 -1.64 119.30 113.53 1ilu s MET 109 Ca 0.09 -0.67 0.04 0.00 -1.71 0.00 0.00 55.69 53.44 1ilu s MET 109 Cb -0.10 -0.82 -0.03 0.00 2.01 0.00 0.00 34.83 35.89 1ilu s MET 109 CO 0.05 0.20 -0.10 -1.54 -0.01 0.00 0.00 175.02 173.62 1ilu s SER 110 N -1.00 4.38 0.25 3.03 1.04 -0.21 -1.93 113.70 119.27 1ilu s SER 110 Ca 0.01 -0.22 -0.22 0.00 0.48 0.00 0.00 55.95 56.00 1ilu s SER 110 Cb -0.07 -0.94 0.03 0.00 0.10 0.00 0.00 66.02 65.13 1ilu s SER 110 CO 0.01 0.28 0.73 0.72 0.98 0.00 0.00 173.24 175.95 1ilu s PHE 111 N -0.97 -0.23 -0.20 5.02 -0.71 -0.01 -0.26 117.98 120.63 1ilu s PHE 111 Ca 0.16 -0.19 -0.04 0.00 -1.04 0.00 0.00 56.93 55.83 1ilu s PHE 111 Cb -0.11 0.68 -0.01 0.00 -1.21 0.00 0.00 43.02 42.37 1ilu s PHE 111 CO 0.07 -1.15 -0.05 0.00 -1.34 0.00 0.00 175.22 172.75 1ilu n THR 113 N 4.36 0.00 -1.66 0.00 -2.24 -1.26 -2.85 114.28 110.63 1ilu n THR 113 Ca -0.18 -0.10 -0.48 0.00 -2.27 0.00 0.00 64.05 61.02 1ilu n THR 113 Cb 0.51 0.05 -0.05 0.00 -2.10 0.00 0.00 70.33 68.75 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 -0.73 2.12 -1.53 4.78 -0.00 -1.26 -4.41 117.46 116.42 1ilu n PHE 114 Ca 0.16 0.31 -0.51 0.00 -0.00 0.00 0.00 57.45 57.40 1ilu n PHE 114 Cb 0.29 -2.52 -0.05 0.00 -0.00 0.00 0.00 39.48 37.20 1ilu n PHE 114 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1ilu n PRO 115 N 3.90 0.70 0.00 -7.13 -0.04 -1.26 -1.09 135.00 130.08 1ilu n PRO 115 Ca 0.19 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 1ilu n PRO 115 Cb 0.26 -1.67 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 1ilu n PRO 115 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ilu n GLY 116 N 1.91 3.00 0.10 0.55 0.00 -1.26 -4.87 105.19 104.61 1ilu n GLY 116 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 0.00 1.61 3.86 -1.37 -3.38 115.15 115.88 1ilu h HIS 117 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1ilu h HIS 117 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1ilu h HIS 117 CO 0.00 0.72 0.00 0.66 0.86 0.00 0.00 177.93 180.17 1ilu h SER 118 N 0.00 0.00 -0.00 2.45 4.64 -1.68 0.77 113.55 119.73 1ilu h SER 118 Ca -0.13 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.06 1ilu h SER 118 Cb 1.66 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.74 1ilu h SER 118 CO 0.07 0.00 -0.42 0.00 -0.87 0.00 0.00 176.83 175.61 1ilu h ALA 119 N 2.13 0.86 0.00 5.18 0.00 -1.90 -3.31 119.26 122.22 1ilu h ALA 119 Ca 0.00 -0.45 -0.36 0.00 0.00 0.00 0.00 54.91 54.10 1ilu h ALA 119 Cb 0.44 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 1ilu h ALA 119 CO 0.00 0.65 -2.36 1.28 0.00 0.00 0.00 179.25 178.82 1ilu n LEU 120 N -4.02 0.65 -4.27 0.00 4.77 -1.10 -4.78 117.00 108.26 1ilu n LEU 120 Ca -0.02 -0.03 -0.44 0.00 -0.03 0.00 0.00 56.01 55.49 1ilu n LEU 120 Cb 0.52 0.19 -0.00 0.00 -2.33 0.00 0.00 43.42 41.80 1ilu n LEU 120 CO 0.45 0.58 0.83 0.23 -1.33 0.00 0.00 177.39 178.14 1ilu n MET 121 N -2.83 3.66 -3.68 3.23 2.81 0.24 -4.82 117.12 115.73 1ilu n MET 121 Ca -0.35 -4.48 -0.12 0.00 -1.81 0.00 0.00 57.70 50.94 1ilu n MET 121 Cb 1.10 -2.54 -0.06 0.00 -0.71 0.00 0.00 33.22 31.01 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 -1.56 0.92 0.27 0.03 0.00 -1.26 -2.07 119.74 116.07 1ilu s LYS 122 Ca 0.31 -0.43 -0.21 0.00 0.00 0.00 0.00 55.97 55.64 1ilu s LYS 122 Cb -0.07 0.41 0.05 0.00 0.00 0.00 0.00 37.83 38.21 1ilu s LYS 122 CO -0.05 -0.32 0.86 0.20 0.00 0.00 0.00 175.35 176.04 1ilu s GLY 123 N -2.11 0.05 0.17 0.59 0.00 0.64 -4.78 107.32 101.87 1ilu s GLY 123 Ca -0.04 -0.35 0.04 0.00 0.00 0.00 0.00 44.72 44.37 1ilu s GLY 123 CO -0.04 0.31 0.21 -0.51 0.00 0.00 0.00 173.10 173.08 1ilu s THR 124 N -2.96 4.85 -0.03 0.90 -4.23 -0.90 -1.04 115.64 112.22 1ilu s THR 124 Ca 0.15 -0.94 0.07 0.00 -1.18 0.00 0.00 61.69 59.79 1ilu s THR 124 Cb -0.04 -3.50 -0.02 0.00 1.34 0.00 0.00 72.50 70.28 1ilu s THR 124 CO 0.07 -0.13 -0.24 -0.22 -0.54 0.00 0.00 174.62 173.56 1ilu s LEU 125 N -3.24 2.05 -0.02 4.79 0.20 -0.65 -0.22 118.68 121.57 1ilu s LEU 125 Ca 0.33 -0.46 0.01 0.00 0.69 0.00 0.00 54.13 54.70 1ilu s LEU 125 Cb -0.10 -1.28 0.01 0.00 -0.43 0.00 0.00 46.19 44.39 1ilu s LEU 125 CO 0.26 0.29 -0.04 -0.89 -0.29 0.00 0.00 176.35 175.67 1ilu s THR 126 N -0.47 0.45 0.18 3.68 2.01 0.09 -4.24 115.64 117.36 1ilu s THR 126 Ca 0.06 -0.15 -0.03 0.00 0.31 0.00 0.00 61.69 61.88 1ilu s THR 126 Cb -0.10 -0.44 -0.05 0.00 0.01 0.00 0.00 72.50 71.91 1ilu s THR 126 CO 0.00 0.17 0.40 -0.76 -0.69 0.00 0.00 174.62 173.74 1ilu s LEU 127 N 0.46 4.23 0.00 4.42 1.43 -1.26 -0.23 118.68 127.72 1ilu s LEU 127 Ca -0.05 0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 1ilu s LEU 127 Cb -0.09 -3.27 0.00 0.00 0.03 0.00 0.00 46.19 42.86 1ilu s LEU 127 CO -0.00 -0.02 0.12 2.29 0.23 0.00 0.00 176.35 178.97