#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 0.40 0.00 0.00 2.12 -1.26 -4.97 118.70 114.99 1ilu s GLU 2 Ca 0.00 0.51 0.00 0.00 0.36 0.00 0.00 54.97 55.84 1ilu s GLU 2 Cb 0.00 0.17 0.00 0.00 0.26 0.00 0.00 34.13 34.56 1ilu s GLU 2 CO 0.00 -0.05 0.00 0.00 -0.54 0.00 0.00 175.26 174.67 1ilu s SER 4 N -1.83 -0.14 0.04 0.00 1.04 -1.26 -1.05 113.70 110.50 1ilu s SER 4 Ca 0.00 -0.03 -0.05 0.00 0.48 0.00 0.00 55.95 56.35 1ilu s SER 4 Cb 0.00 0.31 -0.02 0.00 0.10 0.00 0.00 66.02 66.41 1ilu s SER 4 CO 0.00 -0.48 0.07 0.54 0.98 0.00 0.00 173.24 174.35 1ilu s VAL 5 N -1.65 0.14 -0.28 5.02 0.11 -0.64 -3.03 120.40 120.08 1ilu s VAL 5 Ca -0.12 -1.16 0.01 0.00 -2.93 0.00 0.00 61.98 57.78 1ilu s VAL 5 Cb -0.04 -0.92 0.05 0.00 -1.53 0.00 0.00 36.38 33.94 1ilu s VAL 5 CO 0.02 -0.64 -0.06 -1.81 -3.33 0.00 0.00 175.10 169.28 1ilu s ASP 6 N -2.17 4.61 -0.09 3.54 1.01 -1.26 -1.22 116.67 121.08 1ilu s ASP 6 Ca -0.04 -1.29 0.00 0.00 0.71 0.00 0.00 52.55 51.93 1ilu s ASP 6 Cb -0.01 -1.63 -0.03 0.00 1.01 0.00 0.00 42.92 42.27 1ilu s ASP 6 CO -0.05 -0.21 -0.07 -0.51 0.21 0.00 0.00 175.17 174.53 1ilu s ILE 7 N 1.19 3.64 -0.08 0.77 1.10 0.19 -4.97 121.20 123.04 1ilu s ILE 7 Ca -0.06 -0.49 0.02 0.00 -0.51 0.00 0.00 60.65 59.61 1ilu s ILE 7 Cb -0.20 -2.51 0.01 0.00 0.15 0.00 0.00 42.46 39.92 1ilu s ILE 7 CO -0.03 0.57 -0.14 -1.10 -2.11 0.00 0.00 174.94 172.12 1ilu s GLN 8 N -0.47 1.98 -0.25 3.50 -0.21 -1.26 -1.11 119.66 121.83 1ilu s GLN 8 Ca 0.07 -0.50 -0.04 0.00 0.02 0.00 0.00 55.36 54.90 1ilu s GLN 8 Cb -0.12 -1.60 0.00 0.00 1.00 0.00 0.00 33.01 32.29 1ilu s GLN 8 CO 0.02 0.04 -0.01 0.20 -2.12 0.00 0.00 175.29 173.42 1ilu s GLY 9 N 0.64 1.67 0.62 3.09 0.00 -0.98 -1.33 107.32 111.04 1ilu s GLY 9 Ca -0.15 -1.32 0.07 0.00 0.00 0.00 0.00 44.72 43.33 1ilu s GLY 9 CO 0.04 0.52 0.86 0.54 0.00 0.00 0.00 173.10 175.06 1ilu s ASN 10 N 1.45 4.85 0.00 1.64 2.20 -0.58 -3.83 114.94 120.66 1ilu s ASN 10 Ca 0.03 -0.76 0.04 0.00 -0.94 0.00 0.00 52.86 51.23 1ilu s ASN 10 Cb -0.16 0.30 0.22 0.00 -2.00 0.00 0.00 41.25 39.62 1ilu s ASN 10 CO -0.02 -1.53 0.81 0.47 -2.94 0.00 0.00 177.10 173.89 1ilu n ASP 11 N -2.43 0.00 -0.71 3.54 8.00 -1.24 -2.64 116.55 121.08 1ilu n ASP 11 Ca 0.16 -1.14 0.07 0.00 0.71 0.00 0.00 54.79 54.59 1ilu n ASP 11 Cb 0.61 0.00 0.22 0.00 -0.02 0.00 0.00 41.12 41.93 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 -0.59 2.27 -3.69 -1.24 3.00 -1.26 -4.96 117.38 110.91 1ilu n GLN 12 Ca 0.03 -2.84 -0.24 0.00 -0.01 0.00 0.00 57.00 53.93 1ilu n GLN 12 Cb 0.01 -1.74 0.06 0.00 0.00 0.00 0.00 30.24 28.57 1ilu n GLN 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1ilu n MET 13 N -0.87 -6.47 -5.08 -1.09 2.81 -1.08 -5.02 117.12 100.32 1ilu n MET 13 Ca 0.22 0.72 -0.29 0.00 -1.81 0.00 0.00 57.70 56.54 1ilu n MET 13 Cb 0.84 -5.64 -0.16 0.00 -0.71 0.00 0.00 33.22 27.55 1ilu n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1ilu s GLN 14 N -6.20 2.29 0.19 0.03 -0.21 -1.26 -4.23 119.66 110.27 1ilu s GLN 14 Ca 0.42 -0.78 -0.10 0.00 0.02 0.00 0.00 55.36 54.92 1ilu s GLN 14 Cb -0.20 -1.93 -0.07 0.00 1.00 0.00 0.00 33.01 31.82 1ilu s GLN 14 CO 0.78 0.30 0.52 -0.06 -2.12 0.00 0.00 175.29 174.70 1ilu s PHE 15 N -0.01 3.49 -2.00 0.91 0.08 -1.26 -1.53 117.98 117.65 1ilu s PHE 15 Ca -0.06 0.88 0.14 0.00 0.12 0.00 0.00 56.93 58.01 1ilu s PHE 15 Cb -0.13 -2.25 0.83 0.00 -0.57 0.00 0.00 43.02 40.89 1ilu s PHE 15 CO 0.04 0.35 1.25 0.27 -0.10 0.00 0.00 175.22 177.02 1ilu n ASN 16 N 0.21 0.00 -3.59 1.36 6.94 -0.44 -4.77 115.26 114.98 1ilu n ASN 16 Ca -0.02 -0.49 -0.10 0.00 -0.02 0.00 0.00 54.58 53.95 1ilu n ASN 16 Cb 0.52 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.89 1ilu n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1ilu s THR 17 N -2.00 0.00 -0.06 5.53 -1.32 -1.26 -5.01 115.64 111.52 1ilu s THR 17 Ca 0.21 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.77 1ilu s THR 17 Cb 0.10 -1.00 0.13 0.00 -1.51 0.00 0.00 72.50 70.21 1ilu s THR 17 CO 0.16 0.00 1.01 -0.46 -2.21 0.00 0.00 174.62 173.12 1ilu n ASN 18 N 0.93 1.58 -3.68 8.08 6.94 -1.26 -4.95 115.26 122.90 1ilu n ASN 18 Ca -0.10 -2.38 -0.09 0.00 -0.02 0.00 0.00 54.58 51.99 1ilu n ASN 18 Cb 0.58 -0.23 -0.10 0.00 -2.36 0.00 0.00 39.78 37.67 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 -1.55 -1.14 -0.00 -2.53 0.00 -1.26 -1.99 121.76 113.29 1ilu s ALA 19 Ca 0.14 1.58 0.06 0.00 0.00 0.00 0.00 51.96 53.74 1ilu s ALA 19 Cb 0.12 -1.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.12 1ilu s ALA 19 CO 0.01 -0.46 -0.20 0.42 0.00 0.00 0.00 175.76 175.53 1ilu s ILE 20 N 1.88 1.61 -0.05 0.00 1.01 -0.30 -4.98 121.20 120.36 1ilu s ILE 20 Ca -0.07 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.67 1ilu s ILE 20 Cb -0.10 -1.35 0.01 0.00 0.01 0.00 0.00 42.46 41.04 1ilu s ILE 20 CO -0.13 0.39 -0.10 -0.89 0.00 0.00 0.00 174.94 174.21 1ilu s THR 21 N -0.55 0.93 -0.25 2.92 2.01 -1.26 -1.18 115.64 118.26 1ilu s THR 21 Ca 0.08 -0.38 -0.05 0.00 0.31 0.00 0.00 61.69 61.65 1ilu s THR 21 Cb -0.08 -0.86 0.00 0.00 0.01 0.00 0.00 72.50 71.58 1ilu s THR 21 CO -0.00 0.30 0.00 -0.69 -0.69 0.00 0.00 174.62 173.54 1ilu s VAL 22 N 0.58 3.52 0.17 3.82 1.01 0.16 -4.89 120.40 124.78 1ilu s VAL 22 Ca -0.11 -0.67 -0.30 0.00 0.00 0.00 0.00 61.98 60.90 1ilu s VAL 22 Cb -0.14 -2.72 -0.09 0.00 0.00 0.00 0.00 36.38 33.43 1ilu s VAL 22 CO 0.02 0.25 1.34 -0.62 0.00 0.00 0.00 175.10 176.09 1ilu s ASP 23 N 1.46 6.86 0.47 3.32 2.15 -1.26 -1.25 116.67 128.42 1ilu s ASP 23 Ca 0.03 2.39 0.17 0.00 0.43 0.00 0.00 52.55 55.58 1ilu s ASP 23 Cb -0.16 -2.60 1.16 0.00 -0.30 0.00 0.00 42.92 41.02 1ilu s ASP 23 CO -0.01 -0.58 2.01 0.11 -0.17 0.00 0.00 175.17 176.53 1ilu h LYS 24 N 5.82 0.24 -0.09 4.34 1.57 -0.92 -1.23 116.57 126.29 1ilu h LYS 24 Ca -0.44 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.31 1ilu h LYS 24 Cb 1.21 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 1ilu h LYS 24 CO 0.80 0.16 -0.02 0.77 -0.57 0.00 0.00 179.45 180.59 1ilu h SER 25 N 0.24 0.11 -3.30 0.86 0.02 -1.91 -3.44 113.55 106.14 1ilu h SER 25 Ca 0.23 -0.01 -0.53 0.00 -0.84 0.00 0.00 61.79 60.64 1ilu h SER 25 Cb 0.59 -0.03 0.06 0.00 0.14 0.00 0.00 62.40 63.17 1ilu h SER 25 CO -0.05 0.16 0.81 0.00 -1.14 0.00 0.00 176.83 176.62 1ilu h LYS 27 N 5.19 0.42 -5.18 0.00 6.56 -1.88 -3.42 116.57 118.25 1ilu h LYS 27 Ca -0.46 -0.71 -0.37 0.00 -1.06 0.00 0.00 60.65 58.05 1ilu h LYS 27 Cb 1.22 0.26 -0.19 0.00 -0.57 0.00 0.00 32.23 32.95 1ilu h LYS 27 CO 0.80 1.34 -0.75 -0.65 -2.06 0.00 0.00 179.45 178.13 1ilu s GLN 28 N -2.53 0.90 -0.04 3.15 -0.21 -1.26 -1.79 119.66 117.88 1ilu s GLN 28 Ca -0.11 -1.14 0.04 0.00 0.02 0.00 0.00 55.36 54.16 1ilu s GLN 28 Cb 0.02 -0.71 -0.00 0.00 1.00 0.00 0.00 33.01 33.32 1ilu s GLN 28 CO 0.89 0.13 -0.15 0.12 -2.12 0.00 0.00 175.29 174.16 1ilu s PHE 29 N -2.09 1.50 -0.09 0.91 5.36 0.61 -4.87 117.98 119.30 1ilu s PHE 29 Ca 0.05 -0.42 0.02 0.00 -0.96 0.00 0.00 56.93 55.61 1ilu s PHE 29 Cb -0.05 -1.02 -0.02 0.00 -0.34 0.00 0.00 43.02 41.59 1ilu s PHE 29 CO 0.02 -0.15 -0.14 0.99 -1.46 0.00 0.00 175.22 174.48 1ilu s THR 30 N 0.10 3.05 -0.12 0.12 2.01 -0.22 -1.13 115.64 119.47 1ilu s THR 30 Ca -0.04 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.29 1ilu s THR 30 Cb -0.11 -2.24 -0.01 0.00 0.01 0.00 0.00 72.50 70.16 1ilu s THR 30 CO 0.02 0.56 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.62 1ilu s VAL 31 N -0.16 2.47 -0.26 3.82 1.01 -0.12 -1.62 120.40 125.54 1ilu s VAL 31 Ca -0.01 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 61.06 1ilu s VAL 31 Cb -0.13 -1.99 0.01 0.00 0.00 0.00 0.00 36.38 34.26 1ilu s VAL 31 CO 0.03 0.54 0.01 0.20 0.00 0.00 0.00 175.10 175.89 1ilu s ASN 32 N 0.38 4.69 -0.22 3.32 0.01 -0.36 -1.62 114.94 121.14 1ilu s ASN 32 Ca -0.15 -0.66 -0.10 0.00 -0.71 0.00 0.00 52.86 51.25 1ilu s ASN 32 Cb -0.17 -1.79 -0.05 0.00 0.41 0.00 0.00 41.25 39.66 1ilu s ASN 32 CO 0.07 -0.12 0.14 -0.22 -1.51 0.00 0.00 177.10 175.45 1ilu s LEU 33 N 1.45 4.12 0.21 0.60 2.96 0.81 -0.64 118.68 128.19 1ilu s LEU 33 Ca 0.03 0.15 0.10 0.00 -0.22 0.00 0.00 54.13 54.19 1ilu s LEU 33 Cb -0.16 -2.09 -0.05 0.00 0.50 0.00 0.00 46.19 44.40 1ilu s LEU 33 CO -0.01 0.12 -0.21 -0.44 -1.32 0.00 0.00 176.35 174.49 1ilu s SER 34 N 0.74 3.19 -0.41 3.68 0.01 -0.27 -1.23 113.70 119.40 1ilu s SER 34 Ca 0.07 -0.92 0.02 0.00 1.31 0.00 0.00 55.95 56.43 1ilu s SER 34 Cb -0.12 -0.23 0.13 0.00 0.21 0.00 0.00 66.02 66.00 1ilu s SER 34 CO 0.02 0.03 0.20 -2.28 0.41 0.00 0.00 173.24 171.62 1ilu s HIS 35 N -2.10 1.97 0.38 2.43 2.46 -0.98 -2.31 115.29 117.14 1ilu s HIS 35 Ca 0.22 -2.29 -0.28 0.00 0.47 0.00 0.00 55.06 53.18 1ilu s HIS 35 Cb -0.06 -1.87 -0.11 0.00 -0.13 0.00 0.00 32.58 30.41 1ilu s HIS 35 CO 0.10 -0.81 1.46 -1.25 -2.47 0.00 0.00 174.74 171.77 1ilu s PRO 36 N 0.66 4.09 0.00 2.88 0.04 -1.25 -0.80 135.00 140.62 1ilu s PRO 36 Ca 0.16 2.51 0.00 0.00 0.04 0.00 0.00 61.00 63.71 1ilu s PRO 36 Cb -0.23 -2.94 0.00 0.00 0.04 0.00 0.00 34.50 31.37 1ilu s PRO 36 CO -0.05 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 176.87 1ilu n GLY 37 N 0.51 0.68 0.00 0.56 0.00 -1.26 -3.66 105.19 102.02 1ilu n GLY 37 Ca 0.01 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.27 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 1.02 0.04 -4.76 1.61 4.13 -1.26 -4.59 115.26 111.44 1ilu n ASN 38 Ca 0.00 -0.03 -0.40 0.00 1.68 0.00 0.00 54.58 55.83 1ilu n ASN 38 Cb 0.00 0.06 -0.06 0.00 -1.54 0.00 0.00 39.78 38.25 1ilu n ASN 38 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1ilu s LEU 39 N -0.14 4.59 0.98 3.41 1.43 -1.26 -4.88 118.68 122.81 1ilu s LEU 39 Ca 0.00 1.72 -0.13 0.00 -1.03 0.00 0.00 54.13 54.69 1ilu s LEU 39 Cb 0.00 -3.40 0.18 0.00 0.03 0.00 0.00 46.19 43.00 1ilu s LEU 39 CO 0.00 0.16 1.12 -2.16 0.23 0.00 0.00 176.35 175.70 1ilu s PRO 40 N -0.97 0.60 0.30 1.29 0.04 -1.26 -2.84 135.00 132.16 1ilu s PRO 40 Ca 0.38 0.32 -0.01 0.00 0.04 0.00 0.00 61.00 61.73 1ilu s PRO 40 Cb -0.24 -1.77 0.45 0.00 0.04 0.00 0.00 34.50 32.98 1ilu s PRO 40 CO 0.28 -2.57 1.95 -0.22 0.04 0.00 0.00 177.00 176.47 1ilu h LYS 41 N -1.77 1.01 0.00 4.56 3.64 -1.87 -0.30 116.57 121.84 1ilu h LYS 41 Ca -0.52 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 58.77 1ilu h LYS 41 Cb 1.33 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1ilu h LYS 41 CO 0.58 0.71 0.00 0.27 -2.27 0.00 0.00 179.45 178.73 1ilu n ASN 42 N -4.39 0.31 -0.09 4.20 6.94 -1.26 -0.04 115.26 120.93 1ilu n ASN 42 Ca 0.08 0.57 -0.20 0.00 -0.02 0.00 0.00 54.58 55.01 1ilu n ASN 42 Cb 0.07 -0.64 -0.07 0.00 -2.36 0.00 0.00 39.78 36.78 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 -1.84 1.01 -2.60 3.53 0.31 -0.71 -4.83 118.33 113.21 1ilu n VAL 43 Ca 0.03 -0.26 -0.09 0.00 -0.01 0.00 0.00 64.34 64.01 1ilu n VAL 43 Cb 0.21 -1.75 0.04 0.00 -0.91 0.00 0.00 33.84 31.43 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 -3.82 2.18 -1.78 5.55 0.00 -0.20 -5.04 117.12 114.00 1ilu n MET 44 Ca -0.36 -3.69 -0.41 0.00 -0.00 0.00 0.00 57.70 53.23 1ilu n MET 44 Cb 0.76 -1.74 -0.01 0.00 0.00 0.00 0.00 33.22 32.23 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 -3.61 2.31 0.05 -5.12 0.00 0.93 -4.82 107.32 97.06 1ilu s GLY 45 Ca 0.34 1.58 0.06 0.00 0.00 0.00 0.00 44.72 46.69 1ilu s GLY 45 CO -0.02 2.49 -0.17 0.30 0.00 0.00 0.00 173.10 175.70 1ilu s HIS 46 N -0.27 1.45 0.14 1.90 3.76 -0.71 -4.68 115.29 116.89 1ilu s HIS 46 Ca 0.61 -0.37 0.00 0.00 -0.15 0.00 0.00 55.06 55.15 1ilu s HIS 46 Cb -0.48 -0.85 -0.04 0.00 1.11 0.00 0.00 32.58 32.32 1ilu s HIS 46 CO 0.52 0.07 0.01 0.54 -0.85 0.00 0.00 174.74 175.02 1ilu s ASN 47 N -1.23 0.81 -0.18 1.40 2.20 -1.26 -0.88 114.94 115.80 1ilu s ASN 47 Ca 0.04 -1.15 -0.03 0.00 -0.94 0.00 0.00 52.86 50.77 1ilu s ASN 47 Cb -0.08 0.19 -0.01 0.00 -2.00 0.00 0.00 41.25 39.34 1ilu s ASN 47 CO 0.02 -0.62 -0.07 0.86 -2.94 0.00 0.00 177.10 174.35 1ilu s TRP 48 N -3.82 2.93 0.03 1.54 -0.00 -1.26 -3.95 118.94 114.41 1ilu s TRP 48 Ca 0.21 -0.71 0.05 0.00 -0.00 0.00 0.00 56.10 55.65 1ilu s TRP 48 Cb 0.07 -2.00 -0.02 0.00 -0.00 0.00 0.00 33.47 31.52 1ilu s TRP 48 CO 0.01 -0.34 -0.14 0.08 -0.00 0.00 0.00 176.95 176.56 1ilu s VAL 49 N 0.92 1.10 -0.08 5.86 1.01 -0.13 -1.55 120.40 127.53 1ilu s VAL 49 Ca -0.01 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.08 1ilu s VAL 49 Cb -0.15 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.26 1ilu s VAL 49 CO 0.01 0.06 -0.16 -0.22 0.00 0.00 0.00 175.10 174.78 1ilu s LEU 50 N -0.98 1.80 0.00 3.92 2.96 -0.75 -1.91 118.68 123.72 1ilu s LEU 50 Ca 0.02 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 53.54 1ilu s LEU 50 Cb -0.07 -1.05 -0.00 0.00 0.50 0.00 0.00 46.19 45.56 1ilu s LEU 50 CO 0.01 0.07 0.26 -1.54 -1.32 0.00 0.00 176.35 173.83 1ilu n SER 51 N 3.77 -0.70 -4.77 3.68 3.41 -0.94 -1.12 113.62 116.94 1ilu n SER 51 Ca -0.21 -2.23 -0.29 0.00 -0.26 0.00 0.00 58.87 55.88 1ilu n SER 51 Cb 0.52 1.39 0.12 0.00 -0.26 0.00 0.00 64.21 65.98 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 -2.72 2.55 0.17 6.66 -4.23 -1.26 -0.61 115.64 116.19 1ilu s THR 52 Ca 0.20 0.18 -0.14 0.00 -1.18 0.00 0.00 61.69 60.75 1ilu s THR 52 Cb 0.00 -2.86 0.06 0.00 1.34 0.00 0.00 72.50 71.04 1ilu s THR 52 CO 0.14 -0.23 1.77 0.00 -0.54 0.00 0.00 174.62 175.77 1ilu h ALA 53 N -1.38 0.68 -0.52 3.99 0.00 -0.96 -2.64 119.26 118.43 1ilu h ALA 53 Ca -0.49 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.35 1ilu h ALA 53 Cb 1.30 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1ilu h ALA 53 CO 0.59 0.21 0.35 0.00 0.00 0.00 0.00 179.25 180.39 1ilu h ALA 54 N 1.13 1.72 0.00 0.00 0.00 -1.93 -3.16 119.26 117.02 1ilu h ALA 54 Ca 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1ilu h ALA 54 Cb 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1ilu h ALA 54 CO -0.03 0.23 -0.72 -0.25 0.00 0.00 0.00 179.25 178.48 1ilu n ASP 55 N -4.47 0.67 -0.20 0.00 8.00 -1.01 -4.57 116.55 114.98 1ilu n ASP 55 Ca 0.06 0.04 -0.04 0.00 0.71 0.00 0.00 54.79 55.56 1ilu n ASP 55 Cb 0.12 0.31 0.03 0.00 -0.02 0.00 0.00 41.12 41.56 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 -0.12 0.00 -1.24 1.85 -1.48 -1.87 114.93 112.07 1ilu h MET 56 Ca 0.00 0.01 -0.06 0.00 -0.61 0.00 0.00 59.70 59.04 1ilu h MET 56 Cb 0.74 0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.78 1ilu h MET 56 CO 0.00 -0.08 -0.28 0.37 -0.40 0.00 0.00 176.91 176.53 1ilu h GLN 57 N -0.12 0.00 -0.27 0.39 5.75 -1.83 0.11 115.11 119.13 1ilu h GLN 57 Ca 0.25 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.66 1ilu h GLN 57 Cb 0.53 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.07 1ilu h GLN 57 CO -0.66 0.28 -0.18 0.78 -2.65 0.00 0.00 178.83 176.40 1ilu h GLY 58 N 1.36 0.66 0.86 2.39 0.00 -1.67 -1.51 103.07 105.16 1ilu h GLY 58 Ca -0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 47.33 46.68 1ilu h GLY 58 CO 0.04 0.57 0.06 -2.08 0.00 0.00 0.00 176.54 175.12 1ilu h VAL 59 N 0.34 1.20 0.11 4.60 2.07 -0.62 -1.28 116.25 122.66 1ilu h VAL 59 Ca 0.05 -0.63 0.02 0.00 0.82 0.00 0.00 66.70 66.96 1ilu h VAL 59 Cb 0.72 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 1ilu h VAL 59 CO 0.05 0.20 -0.23 0.58 0.02 0.00 0.00 177.57 178.18 1ilu h VAL 60 N 0.15 0.48 -0.09 2.57 2.07 -0.76 0.29 116.25 120.95 1ilu h VAL 60 Ca 0.07 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 1ilu h VAL 60 Cb 0.25 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1ilu h VAL 60 CO -0.00 0.00 0.03 0.74 0.02 0.00 0.00 177.57 178.35 1ilu h THR 61 N -0.43 1.18 0.00 2.57 2.02 -1.27 0.07 112.91 117.06 1ilu h THR 61 Ca 0.03 -0.55 -0.04 0.00 0.77 0.00 0.00 66.41 66.62 1ilu h THR 61 Cb 0.46 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 1ilu h THR 61 CO -0.14 0.16 -0.21 0.44 0.37 0.00 0.00 175.52 176.14 1ilu h ASP 62 N -0.05 0.00 -0.01 4.18 3.32 -1.12 -1.17 116.42 121.56 1ilu h ASP 62 Ca 0.03 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 1ilu h ASP 62 Cb 0.23 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 1ilu h ASP 62 CO -0.00 0.21 -0.00 1.23 -1.72 0.00 0.00 179.24 178.96 1ilu h GLY 63 N 0.91 0.03 0.18 2.75 0.00 -0.08 -0.74 103.07 106.12 1ilu h GLY 63 Ca -0.00 -0.02 0.11 0.00 0.00 0.00 0.00 47.33 47.41 1ilu h GLY 63 CO 0.03 0.02 0.07 1.98 0.00 0.00 0.00 176.54 178.64 1ilu h MET 64 N -0.28 0.19 -0.15 4.80 1.85 -0.58 -1.80 114.93 118.97 1ilu h MET 64 Ca 0.00 -0.01 -0.06 0.00 -0.61 0.00 0.00 59.70 59.02 1ilu h MET 64 Cb 0.32 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.29 1ilu h MET 64 CO 0.00 0.13 -0.17 0.00 -0.40 0.00 0.00 176.91 176.46 1ilu h ALA 65 N 1.46 1.44 -0.01 0.39 0.00 -1.03 -3.12 119.26 118.39 1ilu h ALA 65 Ca 0.29 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1ilu h ALA 65 Cb 0.43 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1ilu h ALA 65 CO -0.41 0.39 -0.54 0.77 0.00 0.00 0.00 179.25 179.46 1ilu h SER 66 N 0.23 0.04 -5.00 0.00 0.02 -0.23 -3.50 113.55 105.12 1ilu h SER 66 Ca 0.04 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1ilu h SER 66 Cb 0.44 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1ilu h SER 66 CO 0.03 0.58 0.00 0.61 -1.14 0.00 0.00 176.83 176.91 1ilu n GLY 67 N 0.05 1.62 0.25 -3.77 0.00 -1.18 -4.40 105.19 97.76 1ilu n GLY 67 Ca -0.01 -1.99 -0.06 0.00 0.00 0.00 0.00 46.02 43.96 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 0.72 -2.38 0.99 5.85 -1.92 -0.03 115.31 118.55 1ilu h LEU 68 Ca 0.00 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.72 1ilu h LEU 68 Cb 0.00 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.85 1ilu h LEU 68 CO 0.00 0.52 0.09 -2.24 -0.34 0.00 0.00 178.44 176.47 1ilu h ASP 69 N 0.85 0.00 -0.60 1.25 2.03 -2.02 -1.19 116.42 116.74 1ilu h ASP 69 Ca 0.23 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.53 1ilu h ASP 69 Cb -0.10 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.40 1ilu h ASP 69 CO -0.05 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.45 1ilu n LYS 70 N -3.78 3.40 -2.34 4.15 4.76 -0.54 -4.94 118.16 118.86 1ilu n LYS 70 Ca -0.01 -2.74 -0.20 0.00 -2.87 0.00 0.00 58.31 52.48 1ilu n LYS 70 Cb 0.19 -1.75 -0.01 0.00 -1.84 0.00 0.00 35.03 31.61 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 1.02 -5.72 -3.97 4.39 9.92 -0.45 -3.16 116.55 118.57 1ilu n ASP 71 Ca 0.23 0.01 -0.28 0.00 -0.53 0.00 0.00 54.79 54.23 1ilu n ASP 71 Cb 0.79 -4.75 -0.01 0.00 -0.64 0.00 0.00 41.12 36.50 1ilu n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1ilu n TYR 72 N -3.94 -1.77 -3.80 1.24 4.01 -0.13 -4.73 117.16 108.04 1ilu n TYR 72 Ca -0.24 0.79 -0.13 0.00 -0.16 0.00 0.00 57.90 58.16 1ilu n TYR 72 Cb 0.68 -3.69 -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 -7.03 1.25 0.07 7.72 1.43 -1.19 -4.22 118.68 116.70 1ilu s LEU 73 Ca 0.22 0.40 -0.31 0.00 -1.03 0.00 0.00 54.13 53.41 1ilu s LEU 73 Cb -0.12 0.67 -0.06 0.00 0.03 0.00 0.00 46.19 46.72 1ilu s LEU 73 CO 0.88 -0.07 1.22 -0.75 0.23 0.00 0.00 176.35 177.86 1ilu s LYS 74 N 0.11 4.42 0.20 1.70 2.20 -1.26 -4.79 119.74 122.32 1ilu s LYS 74 Ca -0.00 1.80 -0.31 0.00 -0.36 0.00 0.00 55.97 57.10 1ilu s LYS 74 Cb -0.01 -3.33 -0.11 0.00 -1.51 0.00 0.00 37.83 32.87 1ilu s LYS 74 CO 0.00 -0.27 1.59 -2.14 -0.36 0.00 0.00 175.35 174.18 1ilu s PRO 75 N 1.02 4.19 -1.45 4.03 0.02 -1.26 -2.66 135.00 138.88 1ilu s PRO 75 Ca 0.59 2.44 -0.11 0.00 0.02 0.00 0.00 61.00 63.94 1ilu s PRO 75 Cb -0.30 -3.11 0.05 0.00 0.02 0.00 0.00 34.50 31.16 1ilu s PRO 75 CO 0.30 -0.62 1.08 -0.25 -0.33 0.00 0.00 177.00 177.17 1ilu n ASP 76 N 3.54 -5.55 -4.63 2.53 8.00 -1.26 -4.91 116.55 114.27 1ilu n ASP 76 Ca 0.13 -0.67 -0.43 0.00 0.71 0.00 0.00 54.79 54.53 1ilu n ASP 76 Cb 0.38 -4.44 -0.03 0.00 -0.02 0.00 0.00 41.12 37.01 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 -3.32 6.37 0.53 -2.24 -1.08 -1.09 -4.88 116.67 110.95 1ilu s ASP 77 Ca 0.63 1.60 0.23 0.00 -0.52 0.00 0.00 52.55 54.48 1ilu s ASP 77 Cb -0.30 -2.53 1.43 0.00 -1.46 0.00 0.00 42.92 40.06 1ilu s ASP 77 CO 0.78 -1.27 2.13 0.77 0.52 0.00 0.00 175.17 178.11 1ilu h SER 78 N 10.76 0.00 1.27 -0.34 4.64 -1.92 -3.01 113.55 124.95 1ilu h SER 78 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1ilu h SER 78 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1ilu h SER 78 CO 1.00 0.07 0.00 0.03 -0.87 0.00 0.00 176.83 177.06 1ilu h ARG 79 N 0.00 0.00 -5.72 4.77 3.08 -1.98 -3.44 114.38 111.09 1ilu h ARG 79 Ca -0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.43 1ilu h ARG 79 Cb 0.15 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.08 1ilu h ARG 79 CO 0.01 0.00 0.33 0.08 -1.07 0.00 0.00 179.97 179.31 1ilu s VAL 80 N -3.34 4.77 0.07 2.04 1.01 -1.14 -4.59 120.40 119.23 1ilu s VAL 80 Ca 0.06 0.85 -0.20 0.00 0.00 0.00 0.00 61.98 62.69 1ilu s VAL 80 Cb 0.09 -4.17 -0.11 0.00 0.00 0.00 0.00 36.38 32.19 1ilu s VAL 80 CO 0.54 -0.39 1.49 0.40 0.00 0.00 0.00 175.10 177.14 1ilu h ILE 81 N 5.72 1.26 -3.10 2.22 2.04 -1.42 -3.47 117.51 120.76 1ilu h ILE 81 Ca -0.25 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 64.69 1ilu h ILE 81 Cb 1.10 1.49 -0.10 0.00 -0.74 0.00 0.00 36.82 38.56 1ilu h ILE 81 CO 0.89 0.28 0.15 0.00 0.00 0.00 0.00 178.15 179.47 1ilu s ALA 82 N -4.91 -1.33 -0.10 1.87 0.00 -1.25 -5.04 121.76 111.00 1ilu s ALA 82 Ca -0.14 0.15 -0.31 0.00 0.00 0.00 0.00 51.96 51.66 1ilu s ALA 82 Cb 0.06 0.86 0.12 0.00 0.00 0.00 0.00 23.12 24.16 1ilu s ALA 82 CO 0.73 -0.82 1.02 -3.38 0.00 0.00 0.00 175.76 173.32 1ilu s HIS 83 N -3.81 -0.28 0.16 0.00 -3.43 -1.26 -1.81 115.29 104.86 1ilu s HIS 83 Ca 0.05 0.24 0.01 0.00 -0.80 0.00 0.00 55.06 54.56 1ilu s HIS 83 Cb -0.02 0.51 0.03 0.00 -1.43 0.00 0.00 32.58 31.68 1ilu s HIS 83 CO -0.07 -0.39 0.22 0.25 -2.00 0.00 0.00 174.74 172.74 1ilu n THR 84 N -0.00 0.00 -2.66 -5.38 -2.24 -0.59 -4.84 114.28 98.56 1ilu n THR 84 Ca -0.06 -0.42 -0.23 0.00 -2.27 0.00 0.00 64.05 61.07 1ilu n THR 84 Cb 0.60 -1.08 0.10 0.00 -2.10 0.00 0.00 70.33 67.86 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 -2.83 1.74 -0.31 -0.78 -0.14 -1.26 -4.69 119.74 111.46 1ilu s LYS 85 Ca 0.15 -1.22 -0.21 0.00 -1.36 0.00 0.00 55.97 53.33 1ilu s LYS 85 Cb -0.01 -2.38 -0.01 0.00 -1.68 0.00 0.00 37.83 33.76 1ilu s LYS 85 CO 0.10 -1.38 0.65 -1.17 -0.76 0.00 0.00 175.35 172.79 1ilu s LEU 86 N -5.08 4.15 0.07 3.17 2.96 -1.26 -4.39 118.68 118.31 1ilu s LEU 86 Ca 0.66 0.42 0.06 0.00 -0.22 0.00 0.00 54.13 55.04 1ilu s LEU 86 Cb -0.05 -2.84 -0.04 0.00 0.50 0.00 0.00 46.19 43.76 1ilu s LEU 86 CO 0.44 -0.51 -0.07 0.27 -1.32 0.00 0.00 176.35 175.15 1ilu s ILE 87 N 2.67 3.56 0.49 6.68 -4.36 -0.05 -4.87 121.20 125.30 1ilu s ILE 87 Ca 0.26 -1.07 0.04 0.00 -0.26 0.00 0.00 60.65 59.61 1ilu s ILE 87 Cb -0.15 -2.63 0.09 0.00 1.25 0.00 0.00 42.46 41.02 1ilu s ILE 87 CO 0.12 0.20 0.67 0.61 0.24 0.00 0.00 174.94 176.78 1ilu n GLY 88 N 0.94 1.34 3.75 6.27 0.00 -1.26 -1.73 105.19 114.50 1ilu n GLY 88 Ca -0.13 -2.11 -0.41 0.00 0.00 0.00 0.00 46.02 43.37 1ilu n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ilu s SER 89 N -3.85 6.96 0.00 1.61 1.04 -1.13 -2.25 113.70 116.08 1ilu s SER 89 Ca 0.47 2.44 0.00 0.00 0.48 0.00 0.00 55.95 59.35 1ilu s SER 89 Cb -0.03 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1ilu s SER 89 CO 0.31 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.70 1ilu n GLY 90 N 1.64 2.42 3.91 7.32 0.00 0.02 -4.94 105.19 115.56 1ilu n GLY 90 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.57 2.34 -0.05 1.61 2.02 -0.95 -4.88 118.70 118.21 1ilu s GLU 91 Ca 0.00 0.09 -0.22 0.00 0.02 0.00 0.00 54.97 54.86 1ilu s GLU 91 Cb 0.00 -2.06 0.05 0.00 0.10 0.00 0.00 34.13 32.21 1ilu s GLU 91 CO 0.00 -1.27 0.49 0.21 0.02 0.00 0.00 175.26 174.71 1ilu s LYS 92 N -5.37 0.81 0.16 1.61 2.47 -1.26 -2.32 119.74 115.84 1ilu s LYS 92 Ca 0.60 0.12 -0.22 0.00 -1.56 0.00 0.00 55.97 54.91 1ilu s LYS 92 Cb -0.11 0.38 0.06 0.00 -1.46 0.00 0.00 37.83 36.70 1ilu s LYS 92 CO 0.48 -0.23 0.57 0.34 0.16 0.00 0.00 175.35 176.68 1ilu s ASP 93 N -1.04 -0.49 0.04 1.43 2.15 -0.37 -5.01 116.67 113.38 1ilu s ASP 93 Ca -0.11 -0.10 -0.06 0.00 0.43 0.00 0.00 52.55 52.71 1ilu s ASP 93 Cb -0.03 0.59 -0.01 0.00 -0.30 0.00 0.00 42.92 43.17 1ilu s ASP 93 CO 0.06 -0.98 0.11 -0.44 -0.17 0.00 0.00 175.17 173.75 1ilu s SER 94 N -2.77 0.16 0.01 -0.34 0.01 -1.26 -0.13 113.70 109.37 1ilu s SER 94 Ca 0.02 -0.52 -0.00 0.00 1.31 0.00 0.00 55.95 56.76 1ilu s SER 94 Cb -0.01 0.24 -0.01 0.00 0.21 0.00 0.00 66.02 66.46 1ilu s SER 94 CO -0.11 -0.53 -0.01 0.54 0.41 0.00 0.00 173.24 173.54 1ilu s VAL 95 N -2.68 0.03 -0.11 3.43 0.11 -0.64 -4.94 120.40 115.59 1ilu s VAL 95 Ca -0.04 -0.23 0.02 0.00 -2.93 0.00 0.00 61.98 58.80 1ilu s VAL 95 Cb -0.01 -0.07 0.01 0.00 -1.53 0.00 0.00 36.38 34.78 1ilu s VAL 95 CO -0.05 -0.13 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.52 1ilu s THR 96 N -0.37 1.73 0.12 5.04 2.01 -1.26 -0.95 115.64 121.97 1ilu s THR 96 Ca -0.04 -0.79 0.07 0.00 0.31 0.00 0.00 61.69 61.24 1ilu s THR 96 Cb -0.03 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 1ilu s THR 96 CO -0.00 0.49 -0.17 0.72 -0.69 0.00 0.00 174.62 174.97 1ilu s PHE 97 N 0.81 1.58 0.19 4.92 -0.71 -0.28 -4.91 117.98 119.58 1ilu s PHE 97 Ca -0.09 -0.49 -0.30 0.00 -1.04 0.00 0.00 56.93 55.01 1ilu s PHE 97 Cb -0.16 -0.83 -0.08 0.00 -1.21 0.00 0.00 43.02 40.74 1ilu s PHE 97 CO 0.00 0.20 1.16 -0.51 -1.34 0.00 0.00 175.22 174.73 1ilu s ASP 98 N -2.31 7.15 0.45 1.98 1.01 -1.26 -0.28 116.67 123.41 1ilu s ASP 98 Ca 0.09 2.20 0.28 0.00 0.71 0.00 0.00 52.55 55.82 1ilu s ASP 98 Cb -0.07 -2.61 0.84 0.00 1.01 0.00 0.00 42.92 42.09 1ilu s ASP 98 CO 0.04 -0.31 1.78 0.58 0.21 0.00 0.00 175.17 177.47 1ilu h VAL 99 N 3.69 0.00 0.00 -1.27 2.07 -1.60 -3.00 116.25 116.13 1ilu h VAL 99 Ca -0.45 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.37 1ilu h VAL 99 Cb 1.21 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 1ilu h VAL 99 CO 0.73 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.78 1ilu n SER 100 N -2.96 0.02 0.12 0.57 3.41 -1.26 -1.15 113.62 112.37 1ilu n SER 100 Ca 0.03 0.51 0.13 0.00 -0.26 0.00 0.00 58.87 59.27 1ilu n SER 100 Cb 0.41 -0.51 0.41 0.00 -0.26 0.00 0.00 64.21 64.26 1ilu n SER 100 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1ilu h LYS 101 N 0.00 0.00 -5.35 4.33 1.57 -1.93 -3.45 116.57 111.73 1ilu h LYS 101 Ca 0.00 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.16 1ilu h LYS 101 Cb 0.11 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.31 1ilu h LYS 101 CO 0.00 0.00 -0.49 -0.51 -0.57 0.00 0.00 179.45 177.88 1ilu s LEU 102 N -4.64 4.22 -0.24 2.94 1.43 -0.30 -5.08 118.68 117.01 1ilu s LEU 102 Ca 0.09 0.27 -0.14 0.00 -1.03 0.00 0.00 54.13 53.32 1ilu s LEU 102 Cb 0.11 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 1ilu s LEU 102 CO 0.56 0.23 0.34 -0.75 0.23 0.00 0.00 176.35 176.97 1ilu s LYS 103 N 0.06 4.09 -0.79 1.70 2.20 -1.26 -5.00 119.74 120.73 1ilu s LYS 103 Ca 0.09 0.04 -0.24 0.00 -0.36 0.00 0.00 55.97 55.50 1ilu s LYS 103 Cb -0.11 -3.59 0.06 0.00 -1.51 0.00 0.00 37.83 32.67 1ilu s LYS 103 CO -0.01 -0.12 1.21 -2.00 -0.36 0.00 0.00 175.35 174.07 1ilu s GLU 104 N 1.58 3.29 0.00 4.03 2.12 -1.26 -3.02 118.70 125.45 1ilu s GLU 104 Ca 0.15 -0.74 0.00 0.00 0.36 0.00 0.00 54.97 54.74 1ilu s GLU 104 Cb -0.15 -4.51 0.00 0.00 0.26 0.00 0.00 34.13 29.73 1ilu s GLU 104 CO 0.08 -2.03 0.00 0.41 -0.54 0.00 0.00 175.26 173.18 1ilu n GLY 105 N 5.68 0.05 3.50 -1.50 0.00 -1.26 -5.15 105.19 106.51 1ilu n GLY 105 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 1.21 -0.14 1.61 2.12 -1.17 -5.17 118.70 117.16 1ilu s GLU 106 Ca 0.00 -0.48 0.02 0.00 0.36 0.00 0.00 54.97 54.87 1ilu s GLU 106 Cb 0.00 0.53 0.01 0.00 0.26 0.00 0.00 34.13 34.93 1ilu s GLU 106 CO 0.00 -0.53 -0.22 -0.65 -0.54 0.00 0.00 175.26 173.32 1ilu s GLN 107 N -3.59 3.02 0.14 4.30 -1.52 -1.26 -4.96 119.66 115.79 1ilu s GLN 107 Ca 0.03 -0.85 0.10 0.00 -1.95 0.00 0.00 55.36 52.69 1ilu s GLN 107 Cb -0.01 -2.45 -0.04 0.00 -0.22 0.00 0.00 33.01 30.29 1ilu s GLN 107 CO -0.10 -0.03 -0.20 0.71 -0.25 0.00 0.00 175.29 175.42 1ilu s TYR 108 N 0.86 2.46 -0.01 0.91 2.02 -1.25 -0.36 117.35 121.97 1ilu s TYR 108 Ca -0.06 -0.30 0.02 0.00 -0.37 0.00 0.00 57.07 56.36 1ilu s TYR 108 Cb -0.15 -1.28 0.00 0.00 -0.40 0.00 0.00 41.96 40.13 1ilu s TYR 108 CO -0.03 0.41 -0.06 -1.64 -1.57 0.00 0.00 175.55 172.66 1ilu s MET 109 N -2.30 0.58 0.09 -0.62 -1.94 0.22 -2.92 119.30 112.42 1ilu s MET 109 Ca 0.18 -0.20 0.03 0.00 -1.71 0.00 0.00 55.69 54.00 1ilu s MET 109 Cb -0.10 -0.58 -0.04 0.00 2.01 0.00 0.00 34.83 36.13 1ilu s MET 109 CO 0.10 0.09 0.09 -1.54 -0.01 0.00 0.00 175.02 173.75 1ilu s SER 110 N 0.09 5.56 0.17 3.03 1.04 0.03 -2.22 113.70 121.41 1ilu s SER 110 Ca -0.01 -0.01 -0.24 0.00 0.48 0.00 0.00 55.95 56.17 1ilu s SER 110 Cb -0.05 -1.50 0.07 0.00 0.10 0.00 0.00 66.02 64.64 1ilu s SER 110 CO -0.00 0.16 0.98 0.72 0.98 0.00 0.00 173.24 176.08 1ilu s PHE 111 N -1.44 -0.07 -0.19 5.02 -0.12 -0.80 -1.33 117.98 119.05 1ilu s PHE 111 Ca 0.30 -0.27 -0.08 0.00 -0.05 0.00 0.00 56.93 56.83 1ilu s PHE 111 Cb -0.12 0.66 -0.04 0.00 -0.63 0.00 0.00 43.02 42.89 1ilu s PHE 111 CO 0.22 -0.86 0.08 0.00 -0.05 0.00 0.00 175.22 174.61 1ilu n THR 113 N 3.52 0.13 -1.91 0.00 -2.24 -1.26 -3.30 114.28 109.21 1ilu n THR 113 Ca -0.16 -0.32 -0.42 0.00 -2.27 0.00 0.00 64.05 60.87 1ilu n THR 113 Cb 0.52 0.47 -0.03 0.00 -2.10 0.00 0.00 70.33 69.20 1ilu n THR 113 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1ilu s PHE 114 N -1.87 3.03 -0.34 4.78 2.19 -1.26 -4.33 117.98 120.18 1ilu s PHE 114 Ca 0.35 0.63 -0.42 0.00 0.33 0.00 0.00 56.93 57.81 1ilu s PHE 114 Cb 0.19 -3.95 -0.17 0.00 -1.31 0.00 0.00 43.02 37.78 1ilu s PHE 114 CO 0.30 -3.49 1.67 -2.30 1.83 0.00 0.00 175.22 173.23 1ilu n PRO 115 N 3.78 0.74 0.00 10.12 -0.02 -1.26 -0.96 135.00 147.40 1ilu n PRO 115 Ca 0.13 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1ilu n PRO 115 Cb 0.38 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 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 4.03 3.27 0.17 -1.23 0.00 -1.26 -4.92 105.19 105.25 1ilu n GLY 116 Ca 0.28 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.15 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 0.70 -0.27 1.61 3.86 -1.34 -3.30 115.15 116.42 1ilu h HIS 117 Ca 0.00 -0.38 0.08 0.00 -1.16 0.00 0.00 60.37 58.91 1ilu h HIS 117 Cb 0.00 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 1ilu h HIS 117 CO 0.00 1.20 0.25 0.66 0.86 0.00 0.00 177.93 180.89 1ilu h SER 118 N 0.27 0.00 -0.99 2.45 4.64 -1.72 0.26 113.55 118.46 1ilu h SER 118 Ca -0.09 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.37 1ilu h SER 118 Cb 1.58 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.59 1ilu h SER 118 CO 0.17 0.00 0.62 0.00 -0.87 0.00 0.00 176.83 176.75 1ilu h ALA 119 N 1.76 1.58 0.00 5.18 0.00 -1.92 -2.94 119.26 122.93 1ilu h ALA 119 Ca 0.13 0.03 -0.38 0.00 0.00 0.00 0.00 54.91 54.69 1ilu h ALA 119 Cb 0.62 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 1ilu h ALA 119 CO -0.00 0.16 -2.41 1.28 0.00 0.00 0.00 179.25 178.27 1ilu n LEU 120 N -4.63 1.87 -3.83 0.00 7.99 -0.69 -4.77 117.00 112.94 1ilu n LEU 120 Ca 0.19 -0.06 -0.42 0.00 -0.01 0.00 0.00 56.01 55.71 1ilu n LEU 120 Cb 0.40 -0.40 0.01 0.00 -0.11 0.00 0.00 43.42 43.32 1ilu n LEU 120 CO 0.27 0.77 1.46 0.23 -1.51 0.00 0.00 177.39 178.61 1ilu n MET 121 N -3.08 4.66 -4.22 3.23 2.81 0.83 -4.78 117.12 116.57 1ilu n MET 121 Ca -0.40 -4.34 -0.13 0.00 -1.81 0.00 0.00 57.70 51.02 1ilu n MET 121 Cb 1.05 -2.57 -0.10 0.00 -0.71 0.00 0.00 33.22 30.89 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 -2.64 1.01 -0.22 0.03 0.00 -1.24 -2.14 119.74 114.55 1ilu s LYS 122 Ca 0.37 -1.46 -0.36 0.00 0.00 0.00 0.00 55.97 54.51 1ilu s LYS 122 Cb 0.11 -0.29 0.15 0.00 0.00 0.00 0.00 37.83 37.81 1ilu s LYS 122 CO 0.01 -0.07 1.39 0.20 0.00 0.00 0.00 175.35 176.88 1ilu s GLY 123 N -3.13 -0.31 0.38 0.59 0.00 -0.44 -4.80 107.32 99.62 1ilu s GLY 123 Ca 0.19 1.57 -0.20 0.00 0.00 0.00 0.00 44.72 46.28 1ilu s GLY 123 CO 0.01 0.47 0.88 -0.51 0.00 0.00 0.00 173.10 173.95 1ilu s THR 124 N -2.06 4.46 -0.06 0.90 -4.23 -0.84 -0.79 115.64 113.02 1ilu s THR 124 Ca 0.13 1.36 0.01 0.00 -1.18 0.00 0.00 61.69 62.01 1ilu s THR 124 Cb 0.02 -3.65 0.02 0.00 1.34 0.00 0.00 72.50 70.23 1ilu s THR 124 CO -0.04 -0.22 -0.07 -0.22 -0.54 0.00 0.00 174.62 173.53 1ilu s LEU 125 N -2.98 1.33 -0.07 4.79 0.20 -1.15 -1.15 118.68 119.65 1ilu s LEU 125 Ca 0.58 -0.21 -0.07 0.00 0.69 0.00 0.00 54.13 55.12 1ilu s LEU 125 Cb -0.10 -0.63 0.02 0.00 -0.43 0.00 0.00 46.19 45.04 1ilu s LEU 125 CO 0.15 -0.05 0.20 -0.89 -0.29 0.00 0.00 176.35 175.47 1ilu s THR 126 N 1.07 0.01 0.54 3.68 2.01 -0.32 -3.95 115.64 118.68 1ilu s THR 126 Ca -0.08 -0.06 -0.18 0.00 0.31 0.00 0.00 61.69 61.68 1ilu s THR 126 Cb -0.14 -0.31 -0.06 0.00 0.01 0.00 0.00 72.50 72.00 1ilu s THR 126 CO -0.01 -0.03 1.06 -0.76 -0.69 0.00 0.00 174.62 174.19 1ilu s LEU 127 N -0.03 3.69 0.00 4.42 1.43 -1.26 -0.67 118.68 126.26 1ilu s LEU 127 Ca -0.01 1.93 0.00 0.00 -1.03 0.00 0.00 54.13 55.01 1ilu s LEU 127 Cb -0.02 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.65 1ilu s LEU 127 CO 0.00 -1.02 0.00 2.29 0.23 0.00 0.00 176.35 177.85