#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 4.62 0.00 0.00 2.12 -1.26 -3.74 118.70 120.44 1ilu s GLU 2 Ca 0.00 1.44 0.00 0.00 0.36 0.00 0.00 54.97 56.77 1ilu s GLU 2 Cb 0.00 -3.42 0.00 0.00 0.26 0.00 0.00 34.13 30.97 1ilu s GLU 2 CO 0.00 0.06 0.00 0.00 -0.54 0.00 0.00 175.26 174.78 1ilu s SER 4 N -1.65 0.03 -0.01 0.00 1.04 -1.25 -1.60 113.70 110.27 1ilu s SER 4 Ca 0.00 -0.34 0.01 0.00 0.48 0.00 0.00 55.95 56.10 1ilu s SER 4 Cb 0.00 0.28 0.01 0.00 0.10 0.00 0.00 66.02 66.41 1ilu s SER 4 CO 0.00 -0.53 -0.02 0.54 0.98 0.00 0.00 173.24 174.21 1ilu s VAL 5 N -2.39 0.18 -0.20 5.02 0.11 -0.14 0.07 120.40 123.04 1ilu s VAL 5 Ca -0.06 -0.04 -0.07 0.00 -2.93 0.00 0.00 61.98 58.87 1ilu s VAL 5 Cb -0.02 -0.19 -0.04 0.00 -1.53 0.00 0.00 36.38 34.61 1ilu s VAL 5 CO -0.03 0.08 0.06 -1.81 -3.33 0.00 0.00 175.10 170.07 1ilu s ASP 6 N 0.26 5.41 -0.00 3.54 1.01 -1.26 -0.69 116.67 124.94 1ilu s ASP 6 Ca -0.02 -0.03 0.02 0.00 0.71 0.00 0.00 52.55 53.23 1ilu s ASP 6 Cb -0.05 -1.94 -0.01 0.00 1.01 0.00 0.00 42.92 41.94 1ilu s ASP 6 CO -0.01 0.11 -0.07 -0.51 0.21 0.00 0.00 175.17 174.90 1ilu s ILE 7 N 0.78 0.58 -0.08 0.77 2.07 -0.62 -4.96 121.20 119.73 1ilu s ILE 7 Ca 0.03 -0.33 0.04 0.00 -1.41 0.00 0.00 60.65 58.97 1ilu s ILE 7 Cb -0.14 -0.49 -0.01 0.00 0.13 0.00 0.00 42.46 41.95 1ilu s ILE 7 CO 0.02 0.15 -0.20 -1.10 -1.91 0.00 0.00 174.94 171.90 1ilu s GLN 8 N -0.21 2.83 -0.27 3.50 -0.21 -1.26 -2.60 119.66 121.43 1ilu s GLN 8 Ca 0.03 -0.81 -0.01 0.00 0.02 0.00 0.00 55.36 54.59 1ilu s GLN 8 Cb -0.03 -2.34 0.04 0.00 1.00 0.00 0.00 33.01 31.67 1ilu s GLN 8 CO -0.00 0.35 -0.04 0.20 -2.12 0.00 0.00 175.29 173.68 1ilu s GLY 9 N -0.06 1.69 0.00 3.09 0.00 -1.04 -1.70 107.32 109.30 1ilu s GLY 9 Ca -0.05 -1.61 0.00 0.00 0.00 0.00 0.00 44.72 43.06 1ilu s GLY 9 CO 0.04 0.60 0.00 1.16 0.00 0.00 0.00 173.10 174.91 1ilu n ASN 10 N 4.63 0.00 -0.19 1.64 0.23 -0.76 -4.20 115.26 116.61 1ilu n ASN 10 Ca -0.15 -0.61 0.14 0.00 -0.53 0.00 0.00 54.58 53.43 1ilu n ASN 10 Cb 0.45 0.00 0.61 0.00 -2.08 0.00 0.00 39.78 38.76 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 -1.84 0.69 -1.09 0.53 8.00 -1.26 -2.99 116.55 118.59 1ilu n ASP 11 Ca 0.00 -0.87 0.09 0.00 0.71 0.00 0.00 54.79 54.72 1ilu n ASP 11 Cb 0.00 -0.02 0.26 0.00 -0.02 0.00 0.00 41.12 41.34 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 -0.69 2.94 -3.71 -1.24 3.00 -1.26 -4.97 117.38 111.45 1ilu n GLN 12 Ca 0.16 -2.47 -0.31 0.00 -0.01 0.00 0.00 57.00 54.37 1ilu n GLN 12 Cb 0.28 -1.51 0.03 0.00 0.00 0.00 0.00 30.24 29.04 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 1.04 -1.10 -4.92 -1.09 0.00 -1.16 -5.05 117.12 104.85 1ilu n MET 13 Ca 0.20 0.49 -0.26 0.00 0.00 0.00 0.00 57.70 58.13 1ilu n MET 13 Cb 0.60 -3.82 -0.16 0.00 0.00 0.00 0.00 33.22 29.84 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 -5.92 1.61 0.11 3.17 -1.52 -1.26 -4.53 119.66 111.33 1ilu s GLN 14 Ca 0.41 -0.67 -0.08 0.00 -1.95 0.00 0.00 55.36 53.07 1ilu s GLN 14 Cb -0.16 -1.52 -0.06 0.00 -0.22 0.00 0.00 33.01 31.05 1ilu s GLN 14 CO 0.87 0.38 0.39 -0.06 -0.25 0.00 0.00 175.29 176.63 1ilu s PHE 15 N -0.36 3.53 -1.78 0.91 0.08 -1.26 -1.83 117.98 117.28 1ilu s PHE 15 Ca 0.05 0.70 0.20 0.00 0.12 0.00 0.00 56.93 58.00 1ilu s PHE 15 Cb -0.08 -2.10 1.12 0.00 -0.57 0.00 0.00 43.02 41.38 1ilu s PHE 15 CO -0.00 0.48 1.60 0.27 -0.10 0.00 0.00 175.22 177.46 1ilu n ASN 16 N 0.57 0.00 -3.76 1.36 6.94 -0.69 -4.76 115.26 114.92 1ilu n ASN 16 Ca -0.06 -0.39 -0.13 0.00 -0.02 0.00 0.00 54.58 53.99 1ilu n ASN 16 Cb 0.52 -0.11 -0.10 0.00 -2.36 0.00 0.00 39.78 37.73 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 -2.22 0.02 -0.13 5.53 -1.32 -1.26 -4.99 115.64 111.28 1ilu s THR 17 Ca 0.26 -0.20 0.18 0.00 -1.21 0.00 0.00 61.69 60.72 1ilu s THR 17 Cb 0.14 -0.52 0.28 0.00 -1.51 0.00 0.00 72.50 70.89 1ilu s THR 17 CO 0.26 -0.11 1.15 -0.46 -2.21 0.00 0.00 174.62 173.24 1ilu n ASN 18 N 2.25 2.20 -3.64 8.08 6.94 -1.26 -4.90 115.26 124.93 1ilu n ASN 18 Ca -0.16 -3.08 -0.05 0.00 -0.02 0.00 0.00 54.58 51.27 1ilu n ASN 18 Cb 0.57 -0.42 -0.06 0.00 -2.36 0.00 0.00 39.78 37.51 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 -2.76 -1.93 -0.02 -2.53 0.00 -1.26 -2.63 121.76 110.63 1ilu s ALA 19 Ca 0.31 2.39 0.07 0.00 0.00 0.00 0.00 51.96 54.73 1ilu s ALA 19 Cb 0.27 -1.55 -0.02 0.00 0.00 0.00 0.00 23.12 21.82 1ilu s ALA 19 CO 0.02 -0.58 -0.23 0.42 0.00 0.00 0.00 175.76 175.39 1ilu s ILE 20 N 2.11 1.85 -0.20 0.00 1.01 -0.40 -4.97 121.20 120.60 1ilu s ILE 20 Ca -0.08 -0.99 -0.00 0.00 0.00 0.00 0.00 60.65 59.57 1ilu s ILE 20 Cb -0.08 -1.54 0.02 0.00 0.01 0.00 0.00 42.46 40.87 1ilu s ILE 20 CO -0.20 0.52 -0.15 -0.89 0.00 0.00 0.00 174.94 174.23 1ilu s THR 21 N -0.49 2.41 -0.24 2.92 2.01 -1.26 -0.15 115.64 120.85 1ilu s THR 21 Ca 0.07 -0.91 -0.18 0.00 0.31 0.00 0.00 61.69 60.98 1ilu s THR 21 Cb -0.10 -2.09 -0.03 0.00 0.01 0.00 0.00 72.50 70.30 1ilu s THR 21 CO -0.00 0.44 0.49 -0.69 -0.69 0.00 0.00 174.62 174.17 1ilu s VAL 22 N 1.32 5.10 -0.06 3.82 1.01 0.11 -4.96 120.40 126.75 1ilu s VAL 22 Ca 0.04 0.86 -0.23 0.00 0.00 0.00 0.00 61.98 62.64 1ilu s VAL 22 Cb -0.14 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 1ilu s VAL 22 CO -0.10 0.14 0.70 -0.62 0.00 0.00 0.00 175.10 175.22 1ilu s ASP 23 N 1.38 7.00 0.51 3.32 -1.08 -1.26 -0.52 116.67 126.02 1ilu s ASP 23 Ca 0.21 1.20 0.18 0.00 -0.52 0.00 0.00 52.55 53.63 1ilu s ASP 23 Cb -0.15 -2.41 1.28 0.00 -1.46 0.00 0.00 42.92 40.17 1ilu s ASP 23 CO 0.09 -0.10 2.08 0.11 0.52 0.00 0.00 175.17 177.88 1ilu h LYS 24 N 6.66 0.05 0.00 4.34 1.57 -1.45 -2.32 116.57 125.42 1ilu h LYS 24 Ca -0.41 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1ilu h LYS 24 Cb 1.20 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1ilu h LYS 24 CO 0.75 0.03 0.00 0.43 -0.57 0.00 0.00 179.45 180.09 1ilu n SER 25 N -4.48 0.00 -4.76 0.86 7.64 -1.26 -4.59 113.62 107.03 1ilu n SER 25 Ca 0.02 -0.27 -0.34 0.00 1.01 0.00 0.00 58.87 59.29 1ilu n SER 25 Cb 0.28 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.40 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 4.67 0.23 -4.50 0.00 6.56 -1.89 -3.43 116.57 118.22 1ilu h LYS 27 Ca -0.51 -0.40 -0.29 0.00 -1.06 0.00 0.00 60.65 58.38 1ilu h LYS 27 Cb 1.19 0.15 -0.24 0.00 -0.57 0.00 0.00 32.23 32.77 1ilu h LYS 27 CO 0.58 1.08 -0.74 -0.65 -2.06 0.00 0.00 179.45 177.66 1ilu s GLN 28 N -2.60 0.50 -0.04 3.15 -0.21 -1.26 -0.95 119.66 118.25 1ilu s GLN 28 Ca -0.11 -0.58 0.04 0.00 0.02 0.00 0.00 55.36 54.74 1ilu s GLN 28 Cb 0.07 -0.35 -0.03 0.00 1.00 0.00 0.00 33.01 33.70 1ilu s GLN 28 CO 0.84 0.07 -0.15 0.12 -2.12 0.00 0.00 175.29 174.06 1ilu s PHE 29 N -0.96 2.68 -0.09 0.91 5.36 0.60 -4.83 117.98 121.65 1ilu s PHE 29 Ca -0.06 -0.17 0.04 0.00 -0.96 0.00 0.00 56.93 55.78 1ilu s PHE 29 Cb -0.07 -1.61 0.00 0.00 -0.34 0.00 0.00 43.02 41.00 1ilu s PHE 29 CO 0.00 0.19 -0.21 0.99 -1.46 0.00 0.00 175.22 174.73 1ilu s THR 30 N -0.75 1.80 -0.11 0.12 2.01 -0.62 -0.34 115.64 117.74 1ilu s THR 30 Ca 0.12 -0.87 -0.02 0.00 0.31 0.00 0.00 61.69 61.23 1ilu s THR 30 Cb -0.11 -1.57 -0.03 0.00 0.01 0.00 0.00 72.50 70.81 1ilu s THR 30 CO 0.01 0.50 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.70 1ilu s VAL 31 N 0.40 3.84 -0.22 3.82 1.01 -0.03 -0.97 120.40 128.24 1ilu s VAL 31 Ca -0.17 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.43 1ilu s VAL 31 Cb -0.17 -2.63 0.05 0.00 0.00 0.00 0.00 36.38 33.63 1ilu s VAL 31 CO 0.07 0.55 -0.12 0.20 0.00 0.00 0.00 175.10 175.81 1ilu s ASN 32 N -0.27 3.78 -0.08 3.32 0.01 0.13 -0.77 114.94 121.07 1ilu s ASN 32 Ca 0.04 -1.06 -0.07 0.00 -0.71 0.00 0.00 52.86 51.06 1ilu s ASN 32 Cb -0.13 -1.38 -0.04 0.00 0.41 0.00 0.00 41.25 40.11 1ilu s ASN 32 CO 0.02 -0.15 0.18 -0.22 -1.51 0.00 0.00 177.10 175.43 1ilu s LEU 33 N 1.27 4.39 0.09 0.60 2.96 0.14 -1.59 118.68 126.55 1ilu s LEU 33 Ca -0.03 0.50 0.05 0.00 -0.22 0.00 0.00 54.13 54.42 1ilu s LEU 33 Cb -0.17 -2.24 -0.03 0.00 0.50 0.00 0.00 46.19 44.24 1ilu s LEU 33 CO -0.08 0.37 -0.13 -0.94 -1.32 0.00 0.00 176.35 174.25 1ilu s SER 34 N -1.22 1.66 -0.41 3.68 1.04 -1.07 -1.11 113.70 116.27 1ilu s SER 34 Ca 0.19 -0.70 0.02 0.00 0.48 0.00 0.00 55.95 55.94 1ilu s SER 34 Cb -0.13 -0.04 0.12 0.00 0.10 0.00 0.00 66.02 66.08 1ilu s SER 34 CO 0.08 -0.14 0.17 -2.28 0.98 0.00 0.00 173.24 172.05 1ilu s HIS 35 N -1.75 2.64 0.53 5.02 2.46 -0.44 -2.49 115.29 121.26 1ilu s HIS 35 Ca 0.02 -2.60 -0.21 0.00 0.47 0.00 0.00 55.06 52.74 1ilu s HIS 35 Cb -0.07 -2.32 -0.05 0.00 -0.13 0.00 0.00 32.58 30.00 1ilu s HIS 35 CO 0.02 -0.83 1.23 -1.25 -2.47 0.00 0.00 174.74 171.44 1ilu s PRO 36 N 0.60 3.29 0.00 2.88 0.04 -1.26 -0.61 135.00 139.94 1ilu s PRO 36 Ca 0.14 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1ilu s PRO 36 Cb -0.22 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.15 1ilu s PRO 36 CO -0.07 -0.97 0.00 0.41 0.04 0.00 0.00 177.00 176.41 1ilu n GLY 37 N 0.53 0.90 1.94 0.56 0.00 -1.26 -4.09 105.19 103.77 1ilu n GLY 37 Ca 0.11 -1.98 -0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 2.52 0.43 -4.12 1.61 4.13 -1.26 -4.54 115.26 114.03 1ilu n ASN 38 Ca 0.00 -2.04 -0.25 0.00 1.68 0.00 0.00 54.58 53.97 1ilu n ASN 38 Cb 0.00 -0.10 -0.16 0.00 -1.54 0.00 0.00 39.78 37.98 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 -1.63 1.90 1.22 3.41 1.43 -1.26 -5.06 118.68 118.69 1ilu s LEU 39 Ca 0.22 -0.33 -0.14 0.00 -1.03 0.00 0.00 54.13 52.86 1ilu s LEU 39 Cb 0.30 -0.91 0.31 0.00 0.03 0.00 0.00 46.19 45.92 1ilu s LEU 39 CO -0.10 0.14 0.98 -0.81 0.23 0.00 0.00 176.35 176.80 1ilu n PRO 40 N 3.14 -2.77 -0.22 1.29 -0.04 -1.26 -3.11 135.00 132.03 1ilu n PRO 40 Ca -0.18 -0.78 -0.09 0.00 -0.04 0.00 0.00 63.50 62.41 1ilu n PRO 40 Cb 0.53 -2.13 0.03 0.00 -0.04 0.00 0.00 33.50 31.89 1ilu n PRO 40 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1ilu h LYS 41 N -2.81 1.05 0.00 0.54 3.64 -1.89 0.69 116.57 117.80 1ilu h LYS 41 Ca -0.63 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 58.44 1ilu h LYS 41 Cb 1.34 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1ilu h LYS 41 CO 0.49 1.01 0.00 0.27 -2.27 0.00 0.00 179.45 178.94 1ilu n ASN 42 N -4.23 0.00 -0.08 4.20 6.94 -1.26 -0.21 115.26 120.62 1ilu n ASN 42 Ca 0.03 0.49 -0.12 0.00 -0.02 0.00 0.00 54.58 54.96 1ilu n ASN 42 Cb 0.32 -0.49 -0.07 0.00 -2.36 0.00 0.00 39.78 37.17 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 -1.49 0.89 -2.58 3.53 0.31 -1.06 -4.86 118.33 113.07 1ilu n VAL 43 Ca 0.05 -0.32 0.02 0.00 -0.01 0.00 0.00 64.34 64.08 1ilu n VAL 43 Cb 0.21 -1.20 0.04 0.00 -0.91 0.00 0.00 33.84 31.99 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 -3.13 0.87 -2.05 5.55 0.00 0.21 -5.02 117.12 113.54 1ilu n MET 44 Ca -0.29 -2.72 -0.38 0.00 -0.00 0.00 0.00 57.70 54.32 1ilu n MET 44 Cb 0.78 -0.78 0.01 0.00 0.00 0.00 0.00 33.22 33.23 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 -2.82 2.83 0.02 -5.12 0.00 0.71 -4.86 107.32 98.08 1ilu s GLY 45 Ca 0.32 1.12 0.02 0.00 0.00 0.00 0.00 44.72 46.18 1ilu s GLY 45 CO -0.11 1.61 -0.08 0.30 0.00 0.00 0.00 173.10 174.83 1ilu s HIS 46 N -1.42 0.67 0.16 1.90 3.76 -0.33 -4.76 115.29 115.26 1ilu s HIS 46 Ca 0.66 -0.26 0.02 0.00 -0.15 0.00 0.00 55.06 55.33 1ilu s HIS 46 Cb -0.34 -0.41 -0.05 0.00 1.11 0.00 0.00 32.58 32.89 1ilu s HIS 46 CO 0.41 -0.03 -0.03 0.54 -0.85 0.00 0.00 174.74 174.79 1ilu s ASN 47 N -0.72 1.37 -0.15 1.40 2.20 -1.26 -0.94 114.94 116.84 1ilu s ASN 47 Ca -0.02 -1.12 0.01 0.00 -0.94 0.00 0.00 52.86 50.79 1ilu s ASN 47 Cb -0.05 0.08 0.00 0.00 -2.00 0.00 0.00 41.25 39.28 1ilu s ASN 47 CO 0.00 -0.50 -0.18 0.86 -2.94 0.00 0.00 177.10 174.34 1ilu s TRP 48 N -3.57 2.73 0.13 1.54 -0.00 -1.26 -4.01 118.94 114.51 1ilu s TRP 48 Ca 0.21 -1.14 0.09 0.00 -0.00 0.00 0.00 56.10 55.26 1ilu s TRP 48 Cb 0.05 -1.85 -0.04 0.00 -0.00 0.00 0.00 33.47 31.63 1ilu s TRP 48 CO 0.02 -0.51 -0.20 0.08 -0.00 0.00 0.00 176.95 176.34 1ilu s VAL 49 N 0.78 1.80 -0.02 5.86 1.01 0.64 -0.74 120.40 129.73 1ilu s VAL 49 Ca -0.07 -1.71 0.05 0.00 0.00 0.00 0.00 61.98 60.25 1ilu s VAL 49 Cb -0.16 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.51 1ilu s VAL 49 CO -0.00 -0.15 -0.16 -0.22 0.00 0.00 0.00 175.10 174.57 1ilu s LEU 50 N -2.23 2.01 0.32 3.92 2.96 -0.09 -2.09 118.68 123.48 1ilu s LEU 50 Ca 0.11 -0.29 -0.18 0.00 -0.22 0.00 0.00 54.13 53.55 1ilu s LEU 50 Cb -0.08 -0.82 0.06 0.00 0.50 0.00 0.00 46.19 45.84 1ilu s LEU 50 CO 0.05 0.19 0.84 -0.94 -1.32 0.00 0.00 176.35 175.18 1ilu s SER 51 N -0.32 -0.03 0.69 3.68 1.04 -1.12 -0.97 113.70 116.66 1ilu s SER 51 Ca 0.05 -0.96 -0.13 0.00 0.48 0.00 0.00 55.95 55.39 1ilu s SER 51 Cb -0.07 0.75 0.01 0.00 0.10 0.00 0.00 66.02 66.81 1ilu s SER 51 CO -0.00 -1.47 1.09 0.42 0.98 0.00 0.00 173.24 174.25 1ilu s THR 52 N -2.49 3.48 0.28 2.02 -4.23 -1.26 -1.16 115.64 112.28 1ilu s THR 52 Ca 0.16 0.60 -0.01 0.00 -1.18 0.00 0.00 61.69 61.26 1ilu s THR 52 Cb -0.05 -3.14 0.28 0.00 1.34 0.00 0.00 72.50 70.93 1ilu s THR 52 CO 0.09 -0.52 1.89 0.00 -0.54 0.00 0.00 174.62 175.54 1ilu h ALA 53 N -0.35 1.46 -0.02 3.99 0.00 -1.09 -0.79 119.26 122.45 1ilu h ALA 53 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1ilu h ALA 53 Cb 1.23 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1ilu h ALA 53 CO 0.54 0.39 0.01 0.00 0.00 0.00 0.00 179.25 180.19 1ilu h ALA 54 N 1.48 1.89 0.00 0.00 0.00 -1.92 -3.19 119.26 117.52 1ilu h ALA 54 Ca 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1ilu h ALA 54 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1ilu h ALA 54 CO -0.17 -0.02 -1.57 -0.25 0.00 0.00 0.00 179.25 177.23 1ilu n ASP 55 N -4.35 0.35 -0.27 0.00 8.00 -0.33 -4.65 116.55 115.30 1ilu n ASP 55 Ca -0.03 0.10 0.07 0.00 0.71 0.00 0.00 54.79 55.64 1ilu n ASP 55 Cb 0.10 1.36 0.20 0.00 -0.02 0.00 0.00 41.12 42.76 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 0.16 -0.25 -1.24 4.05 -1.48 -0.82 114.93 115.35 1ilu h MET 56 Ca 0.00 -0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.35 1ilu h MET 56 Cb 0.98 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.73 1ilu h MET 56 CO 0.00 0.11 -0.10 0.37 0.23 0.00 0.00 176.91 177.51 1ilu h GLN 57 N 0.16 0.41 -0.14 0.39 5.75 -1.82 0.31 115.11 120.16 1ilu h GLN 57 Ca 0.45 -0.10 -0.21 0.00 -0.15 0.00 0.00 58.65 58.64 1ilu h GLN 57 Cb 0.83 -0.05 0.01 0.00 1.07 0.00 0.00 27.48 29.34 1ilu h GLN 57 CO -0.63 0.52 -0.72 0.78 -2.65 0.00 0.00 178.83 176.12 1ilu h GLY 58 N 0.85 0.82 1.09 2.39 0.00 -1.48 -1.22 103.07 105.52 1ilu h GLY 58 Ca 0.08 -1.16 -0.07 0.00 0.00 0.00 0.00 47.33 46.18 1ilu h GLY 58 CO 0.02 1.03 0.15 -2.08 0.00 0.00 0.00 176.54 175.66 1ilu h VAL 59 N 0.46 1.26 0.02 4.60 2.07 -0.97 -1.29 116.25 122.39 1ilu h VAL 59 Ca -0.05 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.47 1ilu h VAL 59 Cb 1.35 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1ilu h VAL 59 CO 0.15 0.38 -0.01 0.58 0.02 0.00 0.00 177.57 178.69 1ilu h VAL 60 N 1.06 1.17 -0.21 2.57 2.07 -0.84 0.42 116.25 122.48 1ilu h VAL 60 Ca 0.22 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1ilu h VAL 60 Cb 0.40 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 1ilu h VAL 60 CO 0.01 0.15 0.14 0.74 0.02 0.00 0.00 177.57 178.62 1ilu h THR 61 N -0.26 1.05 0.00 2.57 2.02 -1.09 -1.34 112.91 115.86 1ilu h THR 61 Ca -0.00 -0.10 -0.05 0.00 0.77 0.00 0.00 66.41 67.03 1ilu h THR 61 Cb 0.25 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1ilu h THR 61 CO 0.00 0.05 -0.25 0.44 0.37 0.00 0.00 175.52 176.14 1ilu h ASP 62 N 0.29 0.00 -0.27 4.18 3.32 -1.23 -2.94 116.42 119.76 1ilu h ASP 62 Ca 0.08 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 1ilu h ASP 62 Cb -0.03 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1ilu h ASP 62 CO -0.02 0.25 -0.20 1.23 -1.72 0.00 0.00 179.24 178.78 1ilu h GLY 63 N 1.06 0.67 0.41 2.75 0.00 -0.26 -2.86 103.07 104.83 1ilu h GLY 63 Ca -0.00 -0.64 0.09 0.00 0.00 0.00 0.00 47.33 46.77 1ilu h GLY 63 CO 0.03 0.58 0.21 1.98 0.00 0.00 0.00 176.54 179.34 1ilu h MET 64 N 0.35 0.37 -0.04 4.80 1.85 -1.08 -1.86 114.93 119.32 1ilu h MET 64 Ca 0.05 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.12 1ilu h MET 64 Cb 0.74 -0.08 0.00 0.00 0.43 0.00 0.00 31.60 32.68 1ilu h MET 64 CO 0.05 0.25 0.00 0.00 -0.40 0.00 0.00 176.91 176.81 1ilu n ALA 65 N -2.47 2.61 0.21 0.39 0.00 -1.19 -3.18 120.51 116.88 1ilu n ALA 65 Ca 0.08 -0.31 0.12 0.00 0.00 0.00 0.00 53.44 53.32 1ilu n ALA 65 Cb 0.26 -1.29 0.04 0.00 0.00 0.00 0.00 19.45 18.46 1ilu n ALA 65 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1ilu h SER 66 N 1.07 0.00 -4.19 0.00 0.02 -1.09 -3.50 113.55 105.85 1ilu h SER 66 Ca 0.00 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1ilu h SER 66 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1ilu h SER 66 CO 0.00 0.03 0.00 0.61 -1.14 0.00 0.00 176.83 176.33 1ilu n GLY 67 N 1.21 -1.26 0.23 -3.77 0.00 -1.19 -3.85 105.19 96.57 1ilu n GLY 67 Ca 0.01 -1.60 -0.04 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 0.53 -2.01 0.99 5.85 -1.91 0.32 115.31 119.08 1ilu h LEU 68 Ca 0.00 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.80 1ilu h LEU 68 Cb 0.00 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1ilu h LEU 68 CO 0.00 0.36 0.16 -2.24 -0.34 0.00 0.00 178.44 176.38 1ilu h ASP 69 N 0.66 0.00 -0.54 1.25 2.03 -2.02 -0.25 116.42 117.55 1ilu h ASP 69 Ca 0.24 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.54 1ilu h ASP 69 Cb 0.07 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.57 1ilu h ASP 69 CO -0.13 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.37 1ilu n LYS 70 N -4.46 4.41 -2.60 4.15 4.76 -0.54 -4.94 118.16 118.94 1ilu n LYS 70 Ca 0.02 -3.07 -0.19 0.00 -2.87 0.00 0.00 58.31 52.20 1ilu n LYS 70 Cb 0.30 -2.14 0.00 0.00 -1.84 0.00 0.00 35.03 31.36 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 0.53 -5.28 -3.85 4.39 9.92 -0.11 -2.38 116.55 119.77 1ilu n ASP 71 Ca 0.26 -0.04 -0.25 0.00 -0.53 0.00 0.00 54.79 54.23 1ilu n ASP 71 Cb 1.10 -4.38 0.01 0.00 -0.64 0.00 0.00 41.12 37.21 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 -1.92 -3.80 1.24 4.01 -0.01 -4.76 117.16 107.98 1ilu n TYR 72 Ca -0.18 0.83 -0.13 0.00 -0.16 0.00 0.00 57.90 58.26 1ilu n TYR 72 Cb 0.64 -4.04 -0.12 0.00 -0.31 0.00 0.00 39.34 35.51 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 -6.93 1.22 0.02 7.72 1.43 -1.00 -4.18 118.68 116.96 1ilu s LEU 73 Ca 0.20 0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 53.38 1ilu s LEU 73 Cb -0.10 0.64 -0.06 0.00 0.03 0.00 0.00 46.19 46.70 1ilu s LEU 73 CO 0.84 -0.07 1.34 -0.75 0.23 0.00 0.00 176.35 177.94 1ilu s LYS 74 N 0.19 4.32 0.20 1.70 2.20 -1.26 -4.81 119.74 122.28 1ilu s LYS 74 Ca -0.01 1.91 -0.32 0.00 -0.36 0.00 0.00 55.97 57.19 1ilu s LYS 74 Cb -0.02 -3.48 -0.12 0.00 -1.51 0.00 0.00 37.83 32.71 1ilu s LYS 74 CO -0.00 -0.48 1.75 -2.14 -0.36 0.00 0.00 175.35 174.12 1ilu s PRO 75 N 1.92 4.12 -1.44 4.03 0.02 -1.26 -2.21 135.00 140.18 1ilu s PRO 75 Ca 0.62 2.62 -0.09 0.00 0.02 0.00 0.00 61.00 64.17 1ilu s PRO 75 Cb -0.31 -3.16 0.05 0.00 0.02 0.00 0.00 34.50 31.10 1ilu s PRO 75 CO 0.27 -0.78 0.90 -0.25 -0.33 0.00 0.00 177.00 176.81 1ilu n ASP 76 N 4.28 -3.63 -4.58 2.53 8.00 -1.26 -4.91 116.55 116.99 1ilu n ASP 76 Ca 0.16 -0.78 -0.40 0.00 0.71 0.00 0.00 54.79 54.48 1ilu n ASP 76 Cb 0.36 -4.03 -0.03 0.00 -0.02 0.00 0.00 41.12 37.40 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 -3.69 5.41 0.56 -2.24 -1.08 -0.94 -4.85 116.67 109.85 1ilu s ASP 77 Ca 0.42 1.04 0.37 0.00 -0.52 0.00 0.00 52.55 53.87 1ilu s ASP 77 Cb -0.21 -2.52 1.94 0.00 -1.46 0.00 0.00 42.92 40.67 1ilu s ASP 77 CO 0.82 -2.14 2.14 0.77 0.52 0.00 0.00 175.17 177.28 1ilu h SER 78 N 14.88 0.00 1.29 -0.34 4.64 -1.91 -2.77 113.55 129.35 1ilu h SER 78 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1ilu h SER 78 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1ilu h SER 78 CO 1.10 0.00 0.00 0.03 -0.87 0.00 0.00 176.83 177.09 1ilu h ARG 79 N 0.00 0.00 -5.80 4.77 3.08 -1.97 -3.44 114.38 111.03 1ilu h ARG 79 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 1ilu h ARG 79 Cb 0.11 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.08 1ilu h ARG 79 CO 0.00 0.00 0.32 0.08 -1.07 0.00 0.00 179.97 179.30 1ilu s VAL 80 N -3.21 4.92 0.04 2.04 1.01 -1.05 -4.50 120.40 119.65 1ilu s VAL 80 Ca 0.08 1.45 -0.06 0.00 0.00 0.00 0.00 61.98 63.45 1ilu s VAL 80 Cb 0.10 -4.06 -0.30 0.00 0.00 0.00 0.00 36.38 32.13 1ilu s VAL 80 CO 0.54 0.03 1.02 0.40 0.00 0.00 0.00 175.10 177.09 1ilu h ILE 81 N 5.26 1.34 -2.67 2.22 2.04 -1.36 -3.48 117.51 120.86 1ilu h ILE 81 Ca -0.28 -2.90 0.03 0.00 1.00 0.00 0.00 64.86 62.70 1ilu h ILE 81 Cb 1.12 2.90 -0.14 0.00 -0.74 0.00 0.00 36.82 39.97 1ilu h ILE 81 CO 0.82 0.86 0.32 0.00 0.00 0.00 0.00 178.15 180.15 1ilu s ALA 82 N -2.63 -1.70 -0.14 1.87 0.00 -1.25 -5.00 121.76 112.91 1ilu s ALA 82 Ca -0.07 0.74 -0.30 0.00 0.00 0.00 0.00 51.96 52.33 1ilu s ALA 82 Cb 0.06 0.65 0.11 0.00 0.00 0.00 0.00 23.12 23.94 1ilu s ALA 82 CO 0.89 -0.72 0.90 -3.38 0.00 0.00 0.00 175.76 173.45 1ilu s HIS 83 N -3.37 -0.48 0.08 0.00 -3.43 -1.26 -0.91 115.29 105.92 1ilu s HIS 83 Ca 0.02 0.86 -0.00 0.00 -0.80 0.00 0.00 55.06 55.14 1ilu s HIS 83 Cb -0.01 0.43 0.02 0.00 -1.43 0.00 0.00 32.58 31.58 1ilu s HIS 83 CO -0.10 -0.42 0.11 0.25 -2.00 0.00 0.00 174.74 172.58 1ilu n THR 84 N 0.95 0.00 -2.74 -5.38 -2.24 0.08 -4.89 114.28 100.06 1ilu n THR 84 Ca -0.13 -0.17 -0.22 0.00 -2.27 0.00 0.00 64.05 61.27 1ilu n THR 84 Cb 0.57 -1.35 0.10 0.00 -2.10 0.00 0.00 70.33 67.56 1ilu n THR 84 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ilu n LYS 85 N -1.20 0.12 -3.10 -0.78 4.76 -1.26 -4.74 118.16 111.96 1ilu n LYS 85 Ca 0.02 -2.82 -0.40 0.00 -2.87 0.00 0.00 58.31 52.24 1ilu n LYS 85 Cb 0.06 -0.53 -0.05 0.00 -1.84 0.00 0.00 35.03 32.67 1ilu n LYS 85 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1ilu s LEU 86 N 0.00 4.22 0.17 -0.35 2.96 -1.26 -4.24 118.68 120.18 1ilu s LEU 86 Ca 0.64 0.97 0.08 0.00 -0.22 0.00 0.00 54.13 55.60 1ilu s LEU 86 Cb -0.04 -2.96 -0.04 0.00 0.50 0.00 0.00 46.19 43.65 1ilu s LEU 86 CO 0.42 -0.20 -0.04 0.27 -1.32 0.00 0.00 176.35 175.48 1ilu s ILE 87 N 1.41 3.53 0.11 6.68 -4.36 -0.11 -4.88 121.20 123.57 1ilu s ILE 87 Ca 0.32 -1.49 0.01 0.00 -0.26 0.00 0.00 60.65 59.23 1ilu s ILE 87 Cb -0.16 -2.76 0.01 0.00 1.25 0.00 0.00 42.46 40.80 1ilu s ILE 87 CO 0.13 -0.10 0.10 0.61 0.24 0.00 0.00 174.94 175.92 1ilu n GLY 88 N -0.02 2.77 3.75 6.27 0.00 -1.26 -1.19 105.19 115.50 1ilu n GLY 88 Ca -0.10 -2.19 -0.37 0.00 0.00 0.00 0.00 46.02 43.36 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 -1.65 5.14 0.00 1.61 0.01 -1.18 -2.93 113.70 114.71 1ilu s SER 89 Ca 0.07 2.59 0.00 0.00 1.31 0.00 0.00 55.95 59.93 1ilu s SER 89 Cb -0.01 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.61 1ilu s SER 89 CO 0.05 -1.64 0.00 0.61 0.41 0.00 0.00 173.24 172.67 1ilu n GLY 90 N 0.70 2.05 3.72 3.44 0.00 0.22 -4.99 105.19 110.32 1ilu n GLY 90 Ca 0.12 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 1.63 -0.01 1.61 2.02 -1.15 -4.70 118.70 118.11 1ilu s GLU 91 Ca 0.00 1.37 -0.05 0.00 0.02 0.00 0.00 54.97 56.31 1ilu s GLU 91 Cb 0.00 -1.81 0.00 0.00 0.10 0.00 0.00 34.13 32.42 1ilu s GLU 91 CO 0.00 -2.14 0.10 0.21 0.02 0.00 0.00 175.26 173.45 1ilu s LYS 92 N -4.75 0.34 0.13 1.61 2.47 -1.26 -1.33 119.74 116.95 1ilu s LYS 92 Ca 0.64 -0.25 -0.14 0.00 -1.56 0.00 0.00 55.97 54.66 1ilu s LYS 92 Cb -0.20 0.14 0.02 0.00 -1.46 0.00 0.00 37.83 36.33 1ilu s LYS 92 CO 0.57 -0.07 0.37 0.34 0.16 0.00 0.00 175.35 176.72 1ilu s ASP 93 N -0.92 -0.15 0.14 1.43 2.15 -0.27 -4.99 116.67 114.07 1ilu s ASP 93 Ca -0.10 -0.45 0.04 0.00 0.43 0.00 0.00 52.55 52.47 1ilu s ASP 93 Cb -0.06 0.46 -0.04 0.00 -0.30 0.00 0.00 42.92 42.98 1ilu s ASP 93 CO 0.01 -0.86 -0.10 -0.44 -0.17 0.00 0.00 175.17 173.60 1ilu s SER 94 N -2.84 1.76 -0.02 -0.34 0.01 -1.26 0.27 113.70 111.28 1ilu s SER 94 Ca 0.06 -1.00 -0.01 0.00 1.31 0.00 0.00 55.95 56.30 1ilu s SER 94 Cb 0.02 -0.01 0.01 0.00 0.21 0.00 0.00 66.02 66.25 1ilu s SER 94 CO -0.09 -0.33 0.04 0.54 0.41 0.00 0.00 173.24 173.81 1ilu s VAL 95 N -3.27 -0.01 -0.11 3.43 0.11 0.05 -4.90 120.40 115.70 1ilu s VAL 95 Ca 0.16 0.05 0.02 0.00 -2.93 0.00 0.00 61.98 59.28 1ilu s VAL 95 Cb 0.02 -0.08 -0.01 0.00 -1.53 0.00 0.00 36.38 34.78 1ilu s VAL 95 CO 0.00 0.02 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.73 1ilu s THR 96 N 0.29 2.70 0.06 5.04 2.01 -1.26 -0.85 115.64 123.63 1ilu s THR 96 Ca -0.02 -0.80 0.02 0.00 0.31 0.00 0.00 61.69 61.20 1ilu s THR 96 Cb -0.03 -2.09 -0.03 0.00 0.01 0.00 0.00 72.50 70.35 1ilu s THR 96 CO -0.01 0.54 -0.08 0.72 -0.69 0.00 0.00 174.62 175.11 1ilu s PHE 97 N 0.21 0.73 -0.12 4.92 -0.71 0.54 -4.93 117.98 118.62 1ilu s PHE 97 Ca -0.10 -0.59 -0.29 0.00 -1.04 0.00 0.00 56.93 54.90 1ilu s PHE 97 Cb -0.16 -0.43 -0.04 0.00 -1.21 0.00 0.00 43.02 41.18 1ilu s PHE 97 CO 0.06 -0.10 1.54 -0.51 -1.34 0.00 0.00 175.22 174.88 1ilu s ASP 98 N -1.91 6.67 0.56 1.98 1.11 -1.26 -0.29 116.67 123.52 1ilu s ASP 98 Ca -0.05 1.94 0.26 0.00 0.18 0.00 0.00 52.55 54.88 1ilu s ASP 98 Cb -0.07 -2.53 1.48 0.00 1.07 0.00 0.00 42.92 42.87 1ilu s ASP 98 CO -0.01 -0.96 2.03 0.58 1.18 0.00 0.00 175.17 177.99 1ilu h VAL 99 N 5.69 0.63 -0.45 -1.27 2.07 -1.31 -2.21 116.25 119.40 1ilu h VAL 99 Ca -0.35 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.30 1ilu h VAL 99 Cb 1.15 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 1ilu h VAL 99 CO 0.97 0.00 0.43 0.77 0.02 0.00 0.00 177.57 179.76 1ilu h SER 100 N 0.00 0.00 0.50 0.57 4.64 -1.89 0.28 113.55 117.65 1ilu h SER 100 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1ilu h SER 100 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1ilu h SER 100 CO -0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1ilu n LYS 101 N -3.87 0.10 -4.88 4.77 5.02 -0.83 -4.78 118.16 113.70 1ilu n LYS 101 Ca 0.08 0.16 -0.33 0.00 -2.02 0.00 0.00 58.31 56.21 1ilu n LYS 101 Cb 0.62 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 34.00 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 -2.83 2.75 -0.18 -0.35 1.43 0.08 -5.11 118.68 114.48 1ilu s LEU 102 Ca 0.12 -0.19 -0.07 0.00 -1.03 0.00 0.00 54.13 52.96 1ilu s LEU 102 Cb 0.12 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 1ilu s LEU 102 CO 0.30 0.34 0.06 -0.75 0.23 0.00 0.00 176.35 176.54 1ilu s LYS 103 N -0.72 3.93 0.17 1.70 2.20 -1.26 -5.05 119.74 120.70 1ilu s LYS 103 Ca 0.11 -0.33 -0.30 0.00 -0.36 0.00 0.00 55.97 55.09 1ilu s LYS 103 Cb -0.11 -3.20 -0.07 0.00 -1.51 0.00 0.00 37.83 32.94 1ilu s LYS 103 CO 0.01 0.31 1.08 -2.00 -0.36 0.00 0.00 175.35 174.39 1ilu s GLU 104 N 0.26 4.61 0.00 4.03 2.12 -1.26 -3.24 118.70 125.22 1ilu s GLU 104 Ca 0.04 1.68 0.00 0.00 0.36 0.00 0.00 54.97 57.05 1ilu s GLU 104 Cb -0.12 -3.29 0.00 0.00 0.26 0.00 0.00 34.13 30.98 1ilu s GLU 104 CO 0.00 0.10 0.00 0.41 -0.54 0.00 0.00 175.26 175.23 1ilu n GLY 105 N 2.08 0.40 3.02 -1.50 0.00 -1.26 -5.05 105.19 102.87 1ilu n GLY 105 Ca 0.03 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.90 0.42 -0.07 1.61 -6.30 -1.20 -5.16 118.70 105.10 1ilu s GLU 106 Ca 0.00 -0.62 0.02 0.00 -2.50 0.00 0.00 54.97 51.87 1ilu s GLU 106 Cb 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 34.13 33.95 1ilu s GLU 106 CO 0.00 0.02 -0.13 -0.65 0.02 0.00 0.00 175.26 174.52 1ilu s GLN 107 N -1.33 2.78 0.34 4.30 1.11 -1.26 -4.86 119.66 120.74 1ilu s GLN 107 Ca -0.10 -0.67 0.08 0.00 0.01 0.00 0.00 55.36 54.68 1ilu s GLN 107 Cb -0.09 -2.48 -0.04 0.00 -1.01 0.00 0.00 33.01 29.38 1ilu s GLN 107 CO -0.00 0.52 0.13 0.71 0.01 0.00 0.00 175.29 176.66 1ilu s TYR 108 N -0.46 2.68 0.03 0.91 2.02 -1.26 -0.56 117.35 120.71 1ilu s TYR 108 Ca 0.06 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.37 1ilu s TYR 108 Cb -0.12 -1.63 -0.02 0.00 -0.40 0.00 0.00 41.96 39.79 1ilu s TYR 108 CO 0.02 0.35 -0.06 -1.64 -1.57 0.00 0.00 175.55 172.65 1ilu s MET 109 N -3.83 0.42 -0.01 -0.62 -1.94 -0.31 -3.13 119.30 109.88 1ilu s MET 109 Ca 0.37 -0.62 0.08 0.00 -1.71 0.00 0.00 55.69 53.81 1ilu s MET 109 Cb -0.02 -0.16 -0.02 0.00 2.01 0.00 0.00 34.83 36.64 1ilu s MET 109 CO 0.22 0.02 -0.26 -1.54 -0.01 0.00 0.00 175.02 173.45 1ilu s SER 110 N -1.34 3.05 0.27 3.03 1.04 -0.06 -2.79 113.70 116.90 1ilu s SER 110 Ca -0.10 -0.48 -0.21 0.00 0.48 0.00 0.00 55.95 55.64 1ilu s SER 110 Cb -0.09 -0.33 0.04 0.00 0.10 0.00 0.00 66.02 65.74 1ilu s SER 110 CO -0.00 0.31 0.82 0.72 0.98 0.00 0.00 173.24 176.07 1ilu s PHE 111 N -0.63 -0.08 -0.08 5.02 -0.71 -0.89 -0.39 117.98 120.22 1ilu s PHE 111 Ca 0.10 -0.39 0.02 0.00 -1.04 0.00 0.00 56.93 55.62 1ilu s PHE 111 Cb -0.10 0.72 -0.02 0.00 -1.21 0.00 0.00 43.02 42.41 1ilu s PHE 111 CO -0.01 -1.19 -0.14 0.00 -1.34 0.00 0.00 175.22 172.54 1ilu n THR 113 N 2.78 0.00 -1.69 0.00 -2.24 -1.26 -3.51 114.28 108.37 1ilu n THR 113 Ca -0.18 -0.31 -0.43 0.00 -2.27 0.00 0.00 64.05 60.87 1ilu n THR 113 Cb 0.52 1.17 -0.03 0.00 -2.10 0.00 0.00 70.33 69.89 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 0.28 2.62 -1.69 4.78 -0.00 -1.26 -4.39 117.46 117.79 1ilu n PHE 114 Ca 0.11 -0.13 -0.44 0.00 -0.00 0.00 0.00 57.45 56.99 1ilu n PHE 114 Cb 0.48 -2.73 -0.02 0.00 -0.00 0.00 0.00 39.48 37.22 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 5.58 2.22 0.00 -7.13 -0.02 -1.26 -2.23 135.00 132.15 1ilu n PRO 115 Ca 0.18 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 1ilu n PRO 115 Cb 0.37 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 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 1.95 2.84 0.40 -1.23 0.00 -1.26 -4.89 105.19 103.01 1ilu n GLY 116 Ca 0.10 -0.72 0.22 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.47 1.61 3.86 -1.74 -2.14 115.15 116.97 1ilu h HIS 117 Ca 0.00 0.02 0.14 0.00 -1.16 0.00 0.00 60.37 59.37 1ilu h HIS 117 Cb 0.00 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.25 1ilu h HIS 117 CO 0.00 0.07 0.46 0.66 0.86 0.00 0.00 177.93 179.98 1ilu h SER 118 N 0.42 0.00 -0.07 2.45 4.64 -1.76 0.35 113.55 119.58 1ilu h SER 118 Ca 0.60 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.89 1ilu h SER 118 Cb 1.46 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.53 1ilu h SER 118 CO -0.31 0.00 -0.03 0.00 -0.87 0.00 0.00 176.83 175.62 1ilu h ALA 119 N 1.51 1.65 0.00 5.18 0.00 -1.75 -3.07 119.26 122.78 1ilu h ALA 119 Ca 0.22 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ilu h ALA 119 Cb 1.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1ilu h ALA 119 CO -0.00 0.26 -1.28 1.28 0.00 0.00 0.00 179.25 179.51 1ilu n LEU 120 N -4.37 0.03 -3.77 0.00 4.77 -0.32 -4.86 117.00 108.49 1ilu n LEU 120 Ca -0.00 -0.04 -0.33 0.00 -0.03 0.00 0.00 56.01 55.60 1ilu n LEU 120 Cb 0.19 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.22 1ilu n LEU 120 CO 0.37 0.01 0.39 0.23 -1.33 0.00 0.00 177.39 177.06 1ilu n MET 121 N -1.73 2.98 -4.00 3.23 2.81 0.11 -4.72 117.12 115.81 1ilu n MET 121 Ca -0.01 -4.59 -0.08 0.00 -1.81 0.00 0.00 57.70 51.21 1ilu n MET 121 Cb 0.20 -2.36 -0.09 0.00 -0.71 0.00 0.00 33.22 30.26 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 -2.22 0.80 0.04 0.03 -2.85 -1.25 -2.27 119.74 112.02 1ilu s LYS 122 Ca 0.34 -1.15 -0.28 0.00 -1.00 0.00 0.00 55.97 53.87 1ilu s LYS 122 Cb 0.06 0.28 0.10 0.00 -2.06 0.00 0.00 37.83 36.20 1ilu s LYS 122 CO -0.02 -0.22 1.09 0.20 0.10 0.00 0.00 175.35 176.49 1ilu s GLY 123 N -2.92 -0.33 0.21 0.59 0.00 0.48 -4.78 107.32 100.57 1ilu s GLY 123 Ca 0.10 0.57 0.04 0.00 0.00 0.00 0.00 44.72 45.43 1ilu s GLY 123 CO -0.08 0.13 0.32 -0.51 0.00 0.00 0.00 173.10 172.97 1ilu s THR 124 N -2.88 5.21 -0.32 0.90 -4.23 -1.08 -0.88 115.64 112.36 1ilu s THR 124 Ca 0.12 -0.92 0.00 0.00 -1.18 0.00 0.00 61.69 59.71 1ilu s THR 124 Cb 0.01 -3.78 0.10 0.00 1.34 0.00 0.00 72.50 70.17 1ilu s THR 124 CO -0.02 -0.25 0.10 -0.22 -0.54 0.00 0.00 174.62 173.69 1ilu s LEU 125 N -3.72 2.61 -0.12 4.79 0.20 -1.18 -1.27 118.68 119.99 1ilu s LEU 125 Ca 0.34 -1.75 -0.29 0.00 0.69 0.00 0.00 54.13 53.12 1ilu s LEU 125 Cb -0.10 -0.98 -0.01 0.00 -0.43 0.00 0.00 46.19 44.67 1ilu s LEU 125 CO 0.28 -0.40 0.97 -0.89 -0.29 0.00 0.00 176.35 176.02 1ilu s THR 126 N 1.47 4.81 0.07 3.68 2.01 0.79 -4.13 115.64 124.33 1ilu s THR 126 Ca 0.10 1.95 -0.16 0.00 0.31 0.00 0.00 61.69 63.90 1ilu s THR 126 Cb -0.18 -4.27 -0.06 0.00 0.01 0.00 0.00 72.50 68.00 1ilu s THR 126 CO -0.22 0.01 0.49 -0.22 -0.69 0.00 0.00 174.62 174.00 1ilu s LEU 127 N 2.03 4.45 0.00 4.42 0.20 -1.26 0.10 118.68 128.61 1ilu s LEU 127 Ca 0.46 1.07 0.00 0.00 0.69 0.00 0.00 54.13 56.35 1ilu s LEU 127 Cb -0.18 -2.89 0.00 0.00 -0.43 0.00 0.00 46.19 42.69 1ilu s LEU 127 CO 0.17 0.24 0.21 2.29 -0.29 0.00 0.00 176.35 178.97