#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 4.41 -1.35 0.00 2.12 -1.26 -3.29 118.70 119.34 1ilu s GLU 2 Ca 0.00 1.77 0.00 0.00 0.36 0.00 0.00 54.97 57.10 1ilu s GLU 2 Cb 0.00 -3.39 0.00 0.00 0.26 0.00 0.00 34.13 31.00 1ilu s GLU 2 CO 0.00 -0.30 0.00 0.00 -0.54 0.00 0.00 175.26 174.42 1ilu s SER 4 N -2.11 -0.64 0.09 0.00 1.04 -1.21 -1.31 113.70 109.57 1ilu s SER 4 Ca 0.00 1.17 0.07 0.00 0.48 0.00 0.00 55.95 57.67 1ilu s SER 4 Cb 0.00 1.15 -0.03 0.00 0.10 0.00 0.00 66.02 67.24 1ilu s SER 4 CO 0.00 -0.20 -0.19 0.54 0.98 0.00 0.00 173.24 174.37 1ilu s VAL 5 N 0.63 1.50 -0.05 5.02 0.11 -0.31 0.42 120.40 127.73 1ilu s VAL 5 Ca -0.03 -1.46 0.05 0.00 -2.93 0.00 0.00 61.98 57.61 1ilu s VAL 5 Cb -0.05 -1.39 -0.02 0.00 -1.53 0.00 0.00 36.38 33.39 1ilu s VAL 5 CO -0.04 -0.12 -0.19 -1.81 -3.33 0.00 0.00 175.10 169.61 1ilu s ASP 6 N -1.86 3.64 -0.02 3.54 1.11 -1.26 -1.70 116.67 120.12 1ilu s ASP 6 Ca 0.04 -0.32 -0.04 0.00 0.18 0.00 0.00 52.55 52.41 1ilu s ASP 6 Cb -0.10 -0.74 0.01 0.00 1.07 0.00 0.00 42.92 43.15 1ilu s ASP 6 CO 0.04 0.32 0.09 -0.51 1.18 0.00 0.00 175.17 176.28 1ilu s ILE 7 N -0.57 0.02 -0.06 0.77 2.07 0.20 -4.95 121.20 118.69 1ilu s ILE 7 Ca 0.08 -0.20 0.06 0.00 -1.41 0.00 0.00 60.65 59.19 1ilu s ILE 7 Cb -0.11 -0.20 -0.01 0.00 0.13 0.00 0.00 42.46 42.27 1ilu s ILE 7 CO 0.01 -0.11 -0.25 -1.10 -1.91 0.00 0.00 174.94 171.58 1ilu s GLN 8 N -0.32 2.53 -0.16 3.50 -0.21 -1.26 -0.91 119.66 122.84 1ilu s GLN 8 Ca -0.04 -0.91 0.02 0.00 0.02 0.00 0.00 55.36 54.45 1ilu s GLN 8 Cb -0.03 -2.16 0.01 0.00 1.00 0.00 0.00 33.01 31.84 1ilu s GLN 8 CO 0.00 0.39 -0.20 0.20 -2.12 0.00 0.00 175.29 173.56 1ilu s GLY 9 N -0.18 1.38 0.06 3.09 0.00 -0.65 -0.95 107.32 110.07 1ilu s GLY 9 Ca -0.03 -1.16 0.01 0.00 0.00 0.00 0.00 44.72 43.54 1ilu s GLY 9 CO 0.04 0.14 0.07 1.16 0.00 0.00 0.00 173.10 174.51 1ilu n ASN 10 N 4.36 0.63 0.00 1.64 0.23 -0.80 -3.80 115.26 117.52 1ilu n ASN 10 Ca -0.20 -1.19 0.13 0.00 -0.53 0.00 0.00 54.58 52.79 1ilu n ASN 10 Cb 0.51 -0.03 0.78 0.00 -2.08 0.00 0.00 39.78 38.96 1ilu n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1ilu n ASP 11 N -2.55 0.00 -1.56 0.53 8.00 -1.24 -2.94 116.55 116.79 1ilu n ASP 11 Ca 0.01 -1.10 0.04 0.00 0.71 0.00 0.00 54.79 54.45 1ilu n ASP 11 Cb 0.07 0.00 0.32 0.00 -0.02 0.00 0.00 41.12 41.49 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 -0.93 3.82 -3.72 -1.24 6.02 -1.26 -4.96 117.38 115.12 1ilu n GLN 12 Ca 0.20 -3.05 -0.27 0.00 -0.01 0.00 0.00 57.00 53.87 1ilu n GLN 12 Cb 0.09 -2.10 0.01 0.00 1.02 0.00 0.00 30.24 29.26 1ilu n GLN 12 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ilu n MET 13 N -0.03 -0.92 -4.18 -1.09 0.00 -1.15 -5.03 117.12 104.72 1ilu n MET 13 Ca 0.29 0.35 -0.16 0.00 0.00 0.00 0.00 57.70 58.19 1ilu n MET 13 Cb 1.14 -1.76 -0.14 0.00 0.00 0.00 0.00 33.22 32.47 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 -5.34 0.51 0.20 3.17 -0.21 -1.26 -4.50 119.66 112.23 1ilu s GLN 14 Ca 0.14 -0.33 -0.05 0.00 0.02 0.00 0.00 55.36 55.14 1ilu s GLN 14 Cb -0.08 -0.45 -0.06 0.00 1.00 0.00 0.00 33.01 33.42 1ilu s GLN 14 CO 0.74 0.12 0.45 -0.06 -2.12 0.00 0.00 175.29 174.42 1ilu s PHE 15 N -0.40 3.47 -2.00 0.91 0.08 -1.26 -1.91 117.98 116.87 1ilu s PHE 15 Ca -0.00 0.59 0.20 0.00 0.12 0.00 0.00 56.93 57.84 1ilu s PHE 15 Cb -0.04 -2.05 1.17 0.00 -0.57 0.00 0.00 43.02 41.53 1ilu s PHE 15 CO -0.00 0.33 1.62 0.27 -0.10 0.00 0.00 175.22 177.35 1ilu n ASN 16 N -0.32 0.00 -3.61 1.36 6.94 -0.13 -4.76 115.26 114.74 1ilu n ASN 16 Ca -0.02 -0.98 -0.15 0.00 -0.02 0.00 0.00 54.58 53.41 1ilu n ASN 16 Cb 0.53 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.88 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 -0.29 5.53 -1.32 -1.26 -5.00 115.64 111.31 1ilu s THR 17 Ca 0.29 -0.02 0.14 0.00 -1.21 0.00 0.00 61.69 60.90 1ilu s THR 17 Cb 0.13 -0.94 0.37 0.00 -1.51 0.00 0.00 72.50 70.56 1ilu s THR 17 CO 0.23 -0.01 1.28 -0.46 -2.21 0.00 0.00 174.62 173.45 1ilu n ASN 18 N 2.12 3.14 -3.65 8.08 0.23 -1.26 -4.84 115.26 119.07 1ilu n ASN 18 Ca -0.16 -2.74 -0.08 0.00 -0.53 0.00 0.00 54.58 51.07 1ilu n ASN 18 Cb 0.56 -0.40 -0.08 0.00 -2.08 0.00 0.00 39.78 37.78 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 -2.31 -1.69 0.12 -2.53 0.00 -1.26 -2.25 121.76 111.84 1ilu s ALA 19 Ca 0.32 2.20 0.09 0.00 0.00 0.00 0.00 51.96 54.56 1ilu s ALA 19 Cb 0.25 -1.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 1ilu s ALA 19 CO 0.08 -0.35 -0.22 0.42 0.00 0.00 0.00 175.76 175.69 1ilu s ILE 20 N 1.47 1.85 -0.07 0.00 1.01 0.05 -4.95 121.20 120.56 1ilu s ILE 20 Ca -0.09 -1.66 0.01 0.00 0.00 0.00 0.00 60.65 58.92 1ilu s ILE 20 Cb -0.06 -1.70 0.02 0.00 0.01 0.00 0.00 42.46 40.73 1ilu s ILE 20 CO -0.17 -0.07 -0.09 -0.89 0.00 0.00 0.00 174.94 173.72 1ilu s THR 21 N -1.29 0.97 -0.23 2.92 2.01 -1.26 -0.42 115.64 118.33 1ilu s THR 21 Ca 0.10 -0.35 -0.03 0.00 0.31 0.00 0.00 61.69 61.72 1ilu s THR 21 Cb -0.09 -0.93 0.01 0.00 0.01 0.00 0.00 72.50 71.50 1ilu s THR 21 CO 0.05 0.33 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.56 1ilu s VAL 22 N 0.95 3.10 0.31 3.82 1.01 0.80 -4.92 120.40 125.47 1ilu s VAL 22 Ca -0.10 -0.74 -0.28 0.00 0.00 0.00 0.00 61.98 60.87 1ilu s VAL 22 Cb -0.15 -2.47 -0.09 0.00 0.00 0.00 0.00 36.38 33.67 1ilu s VAL 22 CO 0.00 0.34 1.09 -0.62 0.00 0.00 0.00 175.10 175.91 1ilu s ASP 23 N 1.41 7.12 0.52 3.32 -1.08 -1.26 -1.74 116.67 124.95 1ilu s ASP 23 Ca 0.04 2.23 0.27 0.00 -0.52 0.00 0.00 52.55 54.56 1ilu s ASP 23 Cb -0.15 -2.62 1.45 0.00 -1.46 0.00 0.00 42.92 40.14 1ilu s ASP 23 CO -0.04 -0.25 2.08 0.11 0.52 0.00 0.00 175.17 177.58 1ilu h LYS 24 N 3.47 0.00 -0.95 4.34 1.57 -1.50 -2.62 116.57 120.87 1ilu h LYS 24 Ca -0.47 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.24 1ilu h LYS 24 Cb 1.21 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.48 1ilu h LYS 24 CO 0.66 0.12 0.09 0.43 -0.57 0.00 0.00 179.45 180.17 1ilu n SER 25 N -3.67 2.72 -4.65 0.86 7.64 -1.26 -4.80 113.62 110.46 1ilu n SER 25 Ca -0.02 -2.32 -0.35 0.00 1.01 0.00 0.00 58.87 57.19 1ilu n SER 25 Cb 0.23 -0.57 -0.10 0.00 -1.01 0.00 0.00 64.21 62.77 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 5.93 0.54 -4.70 0.00 6.56 -1.90 -3.42 116.57 119.59 1ilu h LYS 27 Ca -0.43 -0.37 -0.24 0.00 -1.06 0.00 0.00 60.65 58.55 1ilu h LYS 27 Cb 1.19 0.05 -0.15 0.00 -0.57 0.00 0.00 32.23 32.75 1ilu h LYS 27 CO 0.62 0.98 -0.69 -0.65 -2.06 0.00 0.00 179.45 177.65 1ilu s GLN 28 N -3.98 0.92 -0.02 3.15 -0.21 -1.26 -1.99 119.66 116.28 1ilu s GLN 28 Ca -0.13 -1.40 0.03 0.00 0.02 0.00 0.00 55.36 53.88 1ilu s GLN 28 Cb 0.06 -0.23 -0.00 0.00 1.00 0.00 0.00 33.01 33.85 1ilu s GLN 28 CO 0.81 -0.05 -0.10 0.12 -2.12 0.00 0.00 175.29 173.95 1ilu s PHE 29 N -3.63 0.98 -0.15 0.91 5.36 -0.82 -4.82 117.98 115.81 1ilu s PHE 29 Ca 0.16 -0.22 0.00 0.00 -0.96 0.00 0.00 56.93 55.91 1ilu s PHE 29 Cb 0.05 -0.67 -0.00 0.00 -0.34 0.00 0.00 43.02 42.06 1ilu s PHE 29 CO -0.02 -0.07 -0.16 0.99 -1.46 0.00 0.00 175.22 174.51 1ilu s THR 30 N -0.01 2.63 -0.23 0.12 2.01 -0.42 -1.56 115.64 118.18 1ilu s THR 30 Ca 0.00 -0.79 -0.06 0.00 0.31 0.00 0.00 61.69 61.15 1ilu s THR 30 Cb -0.07 -2.10 -0.02 0.00 0.01 0.00 0.00 72.50 70.32 1ilu s THR 30 CO 0.00 0.52 0.03 -0.69 -0.69 0.00 0.00 174.62 173.79 1ilu s VAL 31 N 0.77 4.05 -0.23 3.82 1.01 0.46 -1.16 120.40 129.12 1ilu s VAL 31 Ca -0.06 -0.27 -0.06 0.00 0.00 0.00 0.00 61.98 61.59 1ilu s VAL 31 Cb -0.15 -2.87 -0.02 0.00 0.00 0.00 0.00 36.38 33.33 1ilu s VAL 31 CO 0.01 0.38 0.03 0.20 0.00 0.00 0.00 175.10 175.72 1ilu s ASN 32 N 1.40 4.92 -0.06 3.32 0.01 -0.69 -1.07 114.94 122.77 1ilu s ASN 32 Ca 0.05 -0.23 0.05 0.00 -0.71 0.00 0.00 52.86 52.03 1ilu s ASN 32 Cb -0.15 -1.87 -0.01 0.00 0.41 0.00 0.00 41.25 39.64 1ilu s ASN 32 CO 0.02 0.00 -0.24 -0.22 -1.51 0.00 0.00 177.10 175.15 1ilu s LEU 33 N 1.38 2.15 0.10 0.60 2.96 0.65 -0.63 118.68 125.89 1ilu s LEU 33 Ca 0.05 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.50 1ilu s LEU 33 Cb -0.15 -1.40 -0.04 0.00 0.50 0.00 0.00 46.19 45.10 1ilu s LEU 33 CO 0.02 0.24 -0.08 -0.94 -1.32 0.00 0.00 176.35 174.27 1ilu s SER 34 N -0.15 1.24 -0.52 3.68 1.04 -0.08 -0.23 113.70 118.68 1ilu s SER 34 Ca -0.04 -0.91 0.04 0.00 0.48 0.00 0.00 55.95 55.52 1ilu s SER 34 Cb -0.14 0.06 0.13 0.00 0.10 0.00 0.00 66.02 66.17 1ilu s SER 34 CO 0.04 -0.38 0.27 -2.28 0.98 0.00 0.00 173.24 171.87 1ilu s HIS 35 N -3.08 3.00 0.66 5.02 2.46 -0.81 -1.64 115.29 120.90 1ilu s HIS 35 Ca 0.08 -3.06 -0.17 0.00 0.47 0.00 0.00 55.06 52.38 1ilu s HIS 35 Cb 0.01 -2.65 -0.03 0.00 -0.13 0.00 0.00 32.58 29.79 1ilu s HIS 35 CO -0.03 -0.73 0.91 -0.35 -2.47 0.00 0.00 174.74 172.07 1ilu n PRO 36 N 3.09 0.67 0.00 2.88 -0.04 -1.25 -1.54 135.00 138.82 1ilu n PRO 36 Ca 0.07 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 1ilu n PRO 36 Cb 0.33 -2.14 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 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 1.28 0.57 0.00 0.55 0.00 -1.26 -3.60 105.19 102.72 1ilu n GLY 37 Ca 0.13 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.90 1ilu n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ilu n ASN 38 N 0.00 1.30 -4.79 1.61 5.03 -1.26 -4.57 115.26 112.57 1ilu n ASN 38 Ca 0.00 -0.11 -0.39 0.00 0.87 0.00 0.00 54.58 54.95 1ilu n ASN 38 Cb 0.00 0.48 -0.06 0.00 -1.02 0.00 0.00 39.78 39.18 1ilu n ASN 38 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1ilu s LEU 39 N -1.22 4.54 0.99 3.41 1.43 -1.26 -4.84 118.68 121.73 1ilu s LEU 39 Ca 0.00 1.40 -0.15 0.00 -1.03 0.00 0.00 54.13 54.36 1ilu s LEU 39 Cb 0.00 -3.05 0.19 0.00 0.03 0.00 0.00 46.19 43.35 1ilu s LEU 39 CO 0.00 0.23 1.17 -2.16 0.23 0.00 0.00 176.35 175.82 1ilu s PRO 40 N -1.04 0.48 0.22 1.29 0.04 -1.26 -2.77 135.00 131.96 1ilu s PRO 40 Ca 0.32 0.08 -0.09 0.00 0.04 0.00 0.00 61.00 61.35 1ilu s PRO 40 Cb -0.21 -1.78 0.33 0.00 0.04 0.00 0.00 34.50 32.88 1ilu s PRO 40 CO 0.22 -2.60 1.71 -0.22 0.04 0.00 0.00 177.00 176.14 1ilu h LYS 41 N -1.79 0.29 0.00 4.56 3.64 -1.87 -0.81 116.57 120.59 1ilu h LYS 41 Ca -0.48 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.86 1ilu h LYS 41 Cb 1.30 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1ilu h LYS 41 CO 0.51 0.19 -0.07 -2.95 -2.27 0.00 0.00 179.45 174.85 1ilu h ASN 42 N 0.30 0.00 0.00 4.20 7.08 -1.93 0.28 115.58 125.50 1ilu h ASN 42 Ca 0.34 0.00 -0.09 0.00 -3.08 0.00 0.00 56.30 53.47 1ilu h ASN 42 Cb 0.50 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.73 1ilu h ASN 42 CO -0.41 0.07 -1.60 1.33 -2.08 0.00 0.00 177.43 174.74 1ilu n VAL 43 N -3.29 0.33 -2.72 6.14 0.24 -0.96 -4.83 118.33 113.23 1ilu n VAL 43 Ca -0.01 -0.34 -0.00 0.00 -2.04 0.00 0.00 64.34 61.95 1ilu n VAL 43 Cb 0.28 -0.20 0.06 0.00 -1.47 0.00 0.00 33.84 32.50 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 -2.12 1.35 -2.29 7.34 0.00 -0.35 -5.04 117.12 116.02 1ilu n MET 44 Ca -0.09 -2.69 -0.36 0.00 0.00 0.00 0.00 57.70 54.56 1ilu n MET 44 Cb 0.54 -0.85 -0.01 0.00 0.00 0.00 0.00 33.22 32.91 1ilu n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1ilu s GLY 45 N -2.85 2.67 0.04 -5.12 0.00 0.08 -4.80 107.32 97.35 1ilu s GLY 45 Ca 0.23 0.84 0.03 0.00 0.00 0.00 0.00 44.72 45.82 1ilu s GLY 45 CO -0.07 1.23 -0.10 0.30 0.00 0.00 0.00 173.10 174.45 1ilu s HIS 46 N -1.71 0.90 0.18 1.90 3.76 -0.91 -4.75 115.29 114.66 1ilu s HIS 46 Ca 0.69 -0.41 0.01 0.00 -0.15 0.00 0.00 55.06 55.20 1ilu s HIS 46 Cb -0.25 -0.53 -0.05 0.00 1.11 0.00 0.00 32.58 32.87 1ilu s HIS 46 CO 0.29 -0.02 0.04 0.54 -0.85 0.00 0.00 174.74 174.74 1ilu s ASN 47 N -1.35 0.99 -0.17 1.40 2.20 -1.26 -1.07 114.94 115.68 1ilu s ASN 47 Ca -0.04 -1.23 0.01 0.00 -0.94 0.00 0.00 52.86 50.66 1ilu s ASN 47 Cb -0.09 0.17 0.02 0.00 -2.00 0.00 0.00 41.25 39.35 1ilu s ASN 47 CO 0.01 -0.64 -0.20 0.86 -2.94 0.00 0.00 177.10 174.19 1ilu s TRP 48 N -3.77 2.76 -0.00 1.54 -0.00 -1.26 -4.03 118.94 114.18 1ilu s TRP 48 Ca 0.27 -1.58 0.05 0.00 -0.00 0.00 0.00 56.10 54.83 1ilu s TRP 48 Cb 0.07 -1.90 -0.01 0.00 -0.00 0.00 0.00 33.47 31.62 1ilu s TRP 48 CO 0.06 -0.77 -0.15 0.08 -0.00 0.00 0.00 176.95 176.17 1ilu s VAL 49 N 1.20 1.15 -0.06 5.86 1.01 -0.61 -1.05 120.40 127.90 1ilu s VAL 49 Ca 0.03 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.38 1ilu s VAL 49 Cb -0.13 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 1ilu s VAL 49 CO -0.11 0.28 -0.23 -0.22 0.00 0.00 0.00 175.10 174.82 1ilu s LEU 50 N -0.47 2.03 0.00 3.92 2.96 0.15 -2.01 118.68 125.26 1ilu s LEU 50 Ca 0.05 -0.49 -0.07 0.00 -0.22 0.00 0.00 54.13 53.40 1ilu s LEU 50 Cb -0.06 -1.30 0.03 0.00 0.50 0.00 0.00 46.19 45.36 1ilu s LEU 50 CO -0.00 0.20 0.61 -1.54 -1.32 0.00 0.00 176.35 174.30 1ilu n SER 51 N 3.13 -1.74 -4.79 3.68 3.41 -0.98 -0.44 113.62 115.90 1ilu n SER 51 Ca -0.18 -2.82 -0.31 0.00 -0.26 0.00 0.00 58.87 55.30 1ilu n SER 51 Cb 0.52 3.08 0.07 0.00 -0.26 0.00 0.00 64.21 67.63 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 -2.55 3.56 0.21 6.66 -4.23 -1.26 -0.92 115.64 117.12 1ilu s THR 52 Ca 0.25 0.52 -0.10 0.00 -1.18 0.00 0.00 61.69 61.18 1ilu s THR 52 Cb -0.02 -3.09 0.17 0.00 1.34 0.00 0.00 72.50 70.89 1ilu s THR 52 CO 0.18 -0.65 1.70 0.00 -0.54 0.00 0.00 174.62 175.31 1ilu h ALA 53 N -0.91 0.72 -1.01 3.99 0.00 -0.90 -2.42 119.26 118.73 1ilu h ALA 53 Ca -0.44 0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.67 1ilu h ALA 53 Cb 1.22 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 19.14 1ilu h ALA 53 CO 0.53 -0.31 0.65 0.00 0.00 0.00 0.00 179.25 180.12 1ilu h ALA 54 N 1.49 1.38 0.00 0.00 0.00 -1.92 -2.99 119.26 117.22 1ilu h ALA 54 Ca 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1ilu h ALA 54 Cb 0.49 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ilu h ALA 54 CO -0.42 0.48 0.00 -0.25 0.00 0.00 0.00 179.25 179.06 1ilu n ASP 55 N -4.48 0.57 -0.05 0.00 8.00 -0.92 -4.18 116.55 115.48 1ilu n ASP 55 Ca 0.15 0.57 -0.09 0.00 0.71 0.00 0.00 54.79 56.13 1ilu n ASP 55 Cb 0.16 -0.71 -0.02 0.00 -0.02 0.00 0.00 41.12 40.52 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 -0.27 -0.82 -1.24 4.05 -1.44 -1.35 114.93 113.85 1ilu h MET 56 Ca 0.00 0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.48 1ilu h MET 56 Cb 0.60 0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 31.41 1ilu h MET 56 CO 0.00 -0.18 0.52 0.37 0.23 0.00 0.00 176.91 177.85 1ilu h GLN 57 N -0.28 0.96 -0.26 0.39 5.75 -1.81 0.44 115.11 120.30 1ilu h GLN 57 Ca 0.14 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.57 1ilu h GLN 57 Cb 0.49 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 1ilu h GLN 57 CO -0.41 0.64 0.12 0.78 -2.65 0.00 0.00 178.83 177.31 1ilu h GLY 58 N 0.99 0.39 0.73 2.39 0.00 -1.64 -0.53 103.07 105.40 1ilu h GLY 58 Ca 0.34 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 1ilu h GLY 58 CO -0.13 0.18 -0.01 -2.08 0.00 0.00 0.00 176.54 174.50 1ilu h VAL 59 N 0.28 1.27 -0.10 4.60 2.07 -0.85 -1.86 116.25 121.66 1ilu h VAL 59 Ca 0.09 -0.88 0.04 0.00 0.82 0.00 0.00 66.70 66.77 1ilu h VAL 59 Cb 0.12 1.67 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 1ilu h VAL 59 CO -0.01 0.25 -0.20 0.58 0.02 0.00 0.00 177.57 178.21 1ilu h VAL 60 N -0.13 0.50 0.05 2.57 2.07 -0.74 0.15 116.25 120.73 1ilu h VAL 60 Ca 0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.57 1ilu h VAL 60 Cb 0.39 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1ilu h VAL 60 CO 0.01 0.00 -0.18 0.74 0.02 0.00 0.00 177.57 178.16 1ilu h THR 61 N -0.27 0.58 -0.04 2.57 2.02 -1.07 -2.40 112.91 114.31 1ilu h THR 61 Ca 0.09 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.19 1ilu h THR 61 Cb 0.40 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1ilu h THR 61 CO -0.26 0.00 -0.36 0.44 0.37 0.00 0.00 175.52 175.71 1ilu h ASP 62 N -0.32 0.08 -0.31 4.18 3.32 -1.23 -1.99 116.42 120.15 1ilu h ASP 62 Ca 0.04 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 1ilu h ASP 62 Cb 0.36 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 1ilu h ASP 62 CO -0.13 0.44 0.05 1.23 -1.72 0.00 0.00 179.24 179.10 1ilu h GLY 63 N 1.12 0.65 0.99 2.75 0.00 -0.67 -2.60 103.07 105.32 1ilu h GLY 63 Ca 0.01 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 1ilu h GLY 63 CO 0.05 0.35 0.17 1.98 0.00 0.00 0.00 176.54 179.10 1ilu h MET 64 N 0.59 0.86 -0.20 4.80 1.85 -0.87 -2.75 114.93 119.21 1ilu h MET 64 Ca 0.13 -0.18 -0.07 0.00 -0.61 0.00 0.00 59.70 58.96 1ilu h MET 64 Cb 0.30 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 32.19 1ilu h MET 64 CO 0.00 0.78 -0.19 0.00 -0.40 0.00 0.00 176.91 177.10 1ilu h ALA 65 N 1.04 1.31 0.00 0.39 0.00 -1.27 -3.03 119.26 117.70 1ilu h ALA 65 Ca 0.18 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1ilu h ALA 65 Cb 0.28 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1ilu h ALA 65 CO -0.01 0.46 -0.41 0.77 0.00 0.00 0.00 179.25 180.07 1ilu h SER 66 N 0.31 0.00 -3.95 0.00 0.02 -1.18 -3.50 113.55 105.25 1ilu h SER 66 Ca 0.05 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 1ilu h SER 66 Cb 0.52 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1ilu h SER 66 CO 0.03 0.41 -0.06 0.61 -1.14 0.00 0.00 176.83 176.69 1ilu n GLY 67 N -0.20 -1.74 0.30 -3.77 0.00 -1.13 -3.77 105.19 94.89 1ilu n GLY 67 Ca -0.01 -1.48 0.06 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 -0.11 0.55 -1.91 0.99 5.85 -1.90 -0.05 115.31 118.73 1ilu h LEU 68 Ca -0.00 0.08 0.17 0.00 0.84 0.00 0.00 57.88 58.97 1ilu h LEU 68 Cb 0.10 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1ilu h LEU 68 CO 0.00 0.25 0.45 -2.24 -0.34 0.00 0.00 178.44 176.57 1ilu h ASP 69 N 0.65 0.08 -0.49 1.25 2.03 -2.01 -0.72 116.42 117.21 1ilu h ASP 69 Ca 0.44 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.75 1ilu h ASP 69 Cb 0.58 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.07 1ilu h ASP 69 CO -0.33 0.04 0.00 0.29 -1.03 0.00 0.00 179.24 178.21 1ilu n LYS 70 N -4.38 3.19 -2.52 4.15 4.76 -0.16 -4.95 118.16 118.26 1ilu n LYS 70 Ca 0.12 -2.58 -0.20 0.00 -2.87 0.00 0.00 58.31 52.78 1ilu n LYS 70 Cb 0.65 -1.64 -0.00 0.00 -1.84 0.00 0.00 35.03 32.20 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 0.70 -5.63 -3.75 4.39 9.92 -0.28 -2.50 116.55 119.42 1ilu n ASP 71 Ca 0.20 -0.03 -0.25 0.00 -0.53 0.00 0.00 54.79 54.18 1ilu n ASP 71 Cb 0.71 -4.67 0.04 0.00 -0.64 0.00 0.00 41.12 36.56 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 -4.00 -2.18 -3.74 1.24 4.01 -0.45 -4.70 117.16 107.34 1ilu n TYR 72 Ca -0.21 0.89 -0.12 0.00 -0.16 0.00 0.00 57.90 58.30 1ilu n TYR 72 Cb 0.66 -4.37 -0.12 0.00 -0.31 0.00 0.00 39.34 35.21 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 -6.94 0.48 0.15 7.72 1.43 -1.04 -4.43 118.68 116.04 1ilu s LEU 73 Ca 0.31 0.65 -0.31 0.00 -1.03 0.00 0.00 54.13 53.75 1ilu s LEU 73 Cb -0.15 1.02 -0.10 0.00 0.03 0.00 0.00 46.19 47.00 1ilu s LEU 73 CO 0.80 -0.15 1.58 -0.75 0.23 0.00 0.00 176.35 178.07 1ilu s LYS 74 N 0.80 4.21 0.17 1.70 2.20 -1.26 -4.83 119.74 122.72 1ilu s LYS 74 Ca -0.05 2.36 -0.34 0.00 -0.36 0.00 0.00 55.97 57.58 1ilu s LYS 74 Cb -0.06 -3.23 -0.14 0.00 -1.51 0.00 0.00 37.83 32.89 1ilu s LYS 74 CO -0.05 -0.63 1.47 -2.30 -0.36 0.00 0.00 175.35 173.48 1ilu n PRO 75 N 4.23 1.88 -4.12 4.03 -0.02 -1.26 -2.70 135.00 137.04 1ilu n PRO 75 Ca 0.14 0.68 -0.34 0.00 -2.02 0.00 0.00 63.50 61.96 1ilu n PRO 75 Cb 0.39 -2.38 -0.01 0.00 -0.02 0.00 0.00 33.50 31.48 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 2.87 -3.50 -4.63 2.55 8.00 -1.26 -4.89 116.55 115.69 1ilu n ASP 76 Ca 0.16 -0.95 -0.43 0.00 0.71 0.00 0.00 54.79 54.28 1ilu n ASP 76 Cb 0.27 -3.10 -0.03 0.00 -0.02 0.00 0.00 41.12 38.25 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 -3.38 6.24 0.55 -2.24 -1.08 -1.10 -4.88 116.67 110.78 1ilu s ASP 77 Ca 0.66 1.73 0.32 0.00 -0.52 0.00 0.00 52.55 54.75 1ilu s ASP 77 Cb -0.35 -2.53 1.56 0.00 -1.46 0.00 0.00 42.92 40.14 1ilu s ASP 77 CO 0.90 -1.36 2.08 0.77 0.52 0.00 0.00 175.17 178.08 1ilu h SER 78 N 11.39 0.00 1.16 -0.34 4.64 -1.92 -2.87 113.55 125.61 1ilu h SER 78 Ca -0.36 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.95 1ilu h SER 78 Cb 1.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1ilu h SER 78 CO 0.99 0.08 -0.05 0.03 -0.87 0.00 0.00 176.83 177.01 1ilu h ARG 79 N 0.00 0.00 -5.89 4.77 3.08 -1.97 -3.43 114.38 110.95 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 0.36 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.29 1ilu h ARG 79 CO 0.01 0.05 0.50 0.08 -1.07 0.00 0.00 179.97 179.54 1ilu s VAL 80 N -3.58 4.49 0.14 2.04 1.01 -1.09 -4.54 120.40 118.88 1ilu s VAL 80 Ca 0.02 0.41 -0.07 0.00 0.00 0.00 0.00 61.98 62.34 1ilu s VAL 80 Cb 0.09 -4.45 -0.13 0.00 0.00 0.00 0.00 36.38 31.89 1ilu s VAL 80 CO 0.58 -0.93 1.37 0.40 0.00 0.00 0.00 175.10 176.53 1ilu h ILE 81 N 6.02 1.33 -2.32 2.22 2.04 -1.03 -3.47 117.51 122.29 1ilu h ILE 81 Ca -0.25 -2.05 -0.07 0.00 1.00 0.00 0.00 64.86 63.49 1ilu h ILE 81 Cb 1.08 2.04 -0.18 0.00 -0.74 0.00 0.00 36.82 39.02 1ilu h ILE 81 CO 1.04 0.63 0.10 0.00 0.00 0.00 0.00 178.15 179.92 1ilu s ALA 82 N -3.69 -1.55 -0.02 1.87 0.00 -1.25 -4.99 121.76 112.13 1ilu s ALA 82 Ca -0.08 1.02 -0.29 0.00 0.00 0.00 0.00 51.96 52.61 1ilu s ALA 82 Cb 0.10 0.12 0.08 0.00 0.00 0.00 0.00 23.12 23.42 1ilu s ALA 82 CO 0.87 -0.40 0.72 -3.38 0.00 0.00 0.00 175.76 173.58 1ilu s HIS 83 N -1.55 -0.57 0.21 0.00 -3.43 -1.26 -0.68 115.29 108.01 1ilu s HIS 83 Ca -0.10 0.82 0.03 0.00 -0.80 0.00 0.00 55.06 55.01 1ilu s HIS 83 Cb -0.01 0.46 0.04 0.00 -1.43 0.00 0.00 32.58 31.63 1ilu s HIS 83 CO 0.06 -0.62 0.29 0.25 -2.00 0.00 0.00 174.74 172.72 1ilu n THR 84 N 0.53 0.00 -1.46 -5.38 -2.24 -0.21 -4.89 114.28 100.62 1ilu n THR 84 Ca -0.17 -0.64 -0.29 0.00 -2.27 0.00 0.00 64.05 60.69 1ilu n THR 84 Cb 0.59 -0.91 0.14 0.00 -2.10 0.00 0.00 70.33 68.05 1ilu n THR 84 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1ilu s LYS 85 N -2.99 1.18 -0.15 -0.78 2.47 -1.26 -4.75 119.74 113.45 1ilu s LYS 85 Ca 0.21 0.40 -0.15 0.00 -1.56 0.00 0.00 55.97 54.88 1ilu s LYS 85 Cb -0.02 -1.83 -0.05 0.00 -1.46 0.00 0.00 37.83 34.48 1ilu s LYS 85 CO 0.14 -2.20 0.34 -1.17 0.16 0.00 0.00 175.35 172.62 1ilu s LEU 86 N -6.07 4.25 0.24 5.43 2.96 -1.26 -4.31 118.68 119.92 1ilu s LEU 86 Ca 0.64 0.59 0.11 0.00 -0.22 0.00 0.00 54.13 55.24 1ilu s LEU 86 Cb -0.15 -2.46 -0.05 0.00 0.50 0.00 0.00 46.19 44.03 1ilu s LEU 86 CO 0.54 0.07 -0.16 0.27 -1.32 0.00 0.00 176.35 175.76 1ilu s ILE 87 N 0.50 2.74 0.57 6.68 -4.36 -0.23 -4.87 121.20 122.23 1ilu s ILE 87 Ca 0.19 -2.11 0.08 0.00 -0.26 0.00 0.00 60.65 58.55 1ilu s ILE 87 Cb -0.14 -2.40 0.08 0.00 1.25 0.00 0.00 42.46 41.25 1ilu s ILE 87 CO 0.06 -0.28 0.65 0.61 0.24 0.00 0.00 174.94 176.22 1ilu n GLY 88 N -0.35 2.26 3.77 6.27 0.00 -1.26 -2.15 105.19 113.72 1ilu n GLY 88 Ca -0.08 -2.25 -0.37 0.00 0.00 0.00 0.00 46.02 43.32 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 -4.45 5.83 0.00 1.61 1.04 -1.11 -2.51 113.70 114.11 1ilu s SER 89 Ca 0.50 2.38 0.00 0.00 0.48 0.00 0.00 55.95 59.31 1ilu s SER 89 Cb -0.04 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.48 1ilu s SER 89 CO 0.31 -1.15 0.00 0.61 0.98 0.00 0.00 173.24 173.99 1ilu n GLY 90 N 0.47 2.23 3.96 7.32 0.00 -0.59 -4.98 105.19 113.61 1ilu n GLY 90 Ca 0.09 0.00 -0.23 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 -0.23 2.92 0.02 1.61 2.02 -1.04 -4.95 118.70 119.05 1ilu s GLU 91 Ca 0.00 -0.55 -0.07 0.00 0.02 0.00 0.00 54.97 54.37 1ilu s GLU 91 Cb 0.00 -2.53 -0.00 0.00 0.10 0.00 0.00 34.13 31.70 1ilu s GLU 91 CO 0.00 -0.41 0.13 0.21 0.02 0.00 0.00 175.26 175.21 1ilu s LYS 92 N -4.63 0.56 0.07 1.61 2.47 -1.26 -1.93 119.74 116.64 1ilu s LYS 92 Ca 0.51 -0.59 -0.21 0.00 -1.56 0.00 0.00 55.97 54.12 1ilu s LYS 92 Cb -0.10 0.23 0.05 0.00 -1.46 0.00 0.00 37.83 36.55 1ilu s LYS 92 CO 0.38 -0.14 0.50 0.34 0.16 0.00 0.00 175.35 176.59 1ilu s ASP 93 N -1.81 -0.41 0.08 1.43 2.15 0.68 -4.97 116.67 113.83 1ilu s ASP 93 Ca -0.09 0.06 0.05 0.00 0.43 0.00 0.00 52.55 52.99 1ilu s ASP 93 Cb -0.04 0.50 -0.03 0.00 -0.30 0.00 0.00 42.92 43.05 1ilu s ASP 93 CO -0.02 -0.77 -0.13 -0.44 -0.17 0.00 0.00 175.17 173.64 1ilu s SER 94 N -2.21 1.62 -0.05 -0.34 0.01 -1.26 -0.25 113.70 111.22 1ilu s SER 94 Ca -0.03 -0.67 -0.02 0.00 1.31 0.00 0.00 55.95 56.54 1ilu s SER 94 Cb -0.00 -0.04 0.03 0.00 0.21 0.00 0.00 66.02 66.22 1ilu s SER 94 CO -0.05 -0.12 0.10 0.54 0.41 0.00 0.00 173.24 174.12 1ilu s VAL 95 N -1.58 -0.04 -0.11 3.43 0.11 -0.23 -4.94 120.40 117.04 1ilu s VAL 95 Ca -0.00 0.14 0.02 0.00 -2.93 0.00 0.00 61.98 59.21 1ilu s VAL 95 Cb -0.08 -0.17 -0.01 0.00 -1.53 0.00 0.00 36.38 34.59 1ilu s VAL 95 CO 0.02 0.06 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.76 1ilu s THR 96 N 0.85 2.45 0.38 5.04 2.01 -1.26 -0.40 115.64 124.71 1ilu s THR 96 Ca -0.07 -0.88 0.04 0.00 0.31 0.00 0.00 61.69 61.09 1ilu s THR 96 Cb -0.09 -1.98 -0.05 0.00 0.01 0.00 0.00 72.50 70.39 1ilu s THR 96 CO -0.04 0.55 0.07 0.72 -0.69 0.00 0.00 174.62 175.23 1ilu s PHE 97 N 0.35 1.95 -0.16 4.92 -0.71 -0.60 -4.95 117.98 118.77 1ilu s PHE 97 Ca -0.16 -1.03 -0.15 0.00 -1.04 0.00 0.00 56.93 54.55 1ilu s PHE 97 Cb -0.17 -1.34 -0.04 0.00 -1.21 0.00 0.00 43.02 40.26 1ilu s PHE 97 CO 0.08 -0.01 0.35 -0.51 -1.34 0.00 0.00 175.22 173.79 1ilu s ASP 98 N -3.59 6.48 0.39 1.98 1.01 -1.26 -1.94 116.67 119.74 1ilu s ASP 98 Ca 0.29 0.57 0.28 0.00 0.71 0.00 0.00 52.55 54.40 1ilu s ASP 98 Cb 0.06 -2.21 1.26 0.00 1.01 0.00 0.00 42.92 43.03 1ilu s ASP 98 CO 0.14 0.04 1.84 0.58 0.21 0.00 0.00 175.17 177.98 1ilu h VAL 99 N 4.78 0.00 -0.21 -1.27 2.07 -1.65 -1.81 116.25 118.17 1ilu h VAL 99 Ca -0.40 -0.24 0.06 0.00 0.82 0.00 0.00 66.70 66.94 1ilu h VAL 99 Cb 1.17 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1ilu h VAL 99 CO 0.75 0.00 0.17 0.77 0.02 0.00 0.00 177.57 179.28 1ilu h SER 100 N 0.00 0.00 0.51 0.57 4.64 -1.88 -2.20 113.55 115.19 1ilu h SER 100 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1ilu h SER 100 Cb 0.31 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1ilu h SER 100 CO 0.00 0.00 -0.09 0.11 -0.87 0.00 0.00 176.83 175.98 1ilu h LYS 101 N 0.00 0.00 -4.38 4.77 1.57 -1.73 -3.39 116.57 113.41 1ilu h LYS 101 Ca 0.10 0.00 -0.73 0.00 -1.87 0.00 0.00 60.65 58.15 1ilu h LYS 101 Cb 0.44 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 32.53 1ilu h LYS 101 CO -0.00 0.09 -0.16 -0.51 -0.57 0.00 0.00 179.45 178.30 1ilu s LEU 102 N -6.85 5.70 0.26 2.94 1.43 -0.83 -5.04 118.68 116.29 1ilu s LEU 102 Ca -0.02 -1.45 -0.24 0.00 -1.03 0.00 0.00 54.13 51.38 1ilu s LEU 102 Cb 0.12 -2.25 -0.09 0.00 0.03 0.00 0.00 46.19 44.00 1ilu s LEU 102 CO 0.56 -0.83 0.85 -1.59 0.23 0.00 0.00 176.35 175.57 1ilu s LYS 103 N 1.94 4.51 0.46 1.70 -2.85 -1.26 -5.03 119.74 119.20 1ilu s LYS 103 Ca 0.06 1.18 -0.24 0.00 -1.00 0.00 0.00 55.97 55.97 1ilu s LYS 103 Cb -0.26 -2.93 -0.07 0.00 -2.06 0.00 0.00 37.83 32.51 1ilu s LYS 103 CO 0.06 0.38 1.32 -2.00 0.10 0.00 0.00 175.35 175.21 1ilu s GLU 104 N -1.82 3.63 0.00 1.78 2.56 -1.26 -3.58 118.70 120.01 1ilu s GLU 104 Ca 0.45 2.17 0.00 0.00 0.00 0.00 0.00 54.97 57.59 1ilu s GLU 104 Cb -0.19 -2.53 0.00 0.00 2.00 0.00 0.00 34.13 33.41 1ilu s GLU 104 CO 0.24 -0.77 0.00 0.41 -0.56 0.00 0.00 175.26 174.58 1ilu n GLY 105 N 0.63 0.46 2.98 -1.50 0.00 -1.26 -5.04 105.19 101.46 1ilu n GLY 105 Ca 0.06 -0.86 -0.14 0.00 0.00 0.00 0.00 46.02 45.09 1ilu n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ilu s GLU 106 N -3.60 0.38 -0.22 1.61 2.56 -1.23 -5.14 118.70 113.06 1ilu s GLU 106 Ca 0.00 -0.38 -0.10 0.00 0.00 0.00 0.00 54.97 54.49 1ilu s GLU 106 Cb 0.00 -0.27 -0.05 0.00 2.00 0.00 0.00 34.13 35.82 1ilu s GLU 106 CO 0.00 0.06 0.14 -0.65 -0.56 0.00 0.00 175.26 174.26 1ilu s GLN 107 N -0.68 4.10 0.20 4.30 -1.52 -1.26 -4.99 119.66 119.81 1ilu s GLN 107 Ca -0.04 -0.26 0.11 0.00 -1.95 0.00 0.00 55.36 53.22 1ilu s GLN 107 Cb -0.05 -3.48 -0.04 0.00 -0.22 0.00 0.00 33.01 29.21 1ilu s GLN 107 CO -0.00 0.14 -0.19 0.71 -0.25 0.00 0.00 175.29 175.71 1ilu s TYR 108 N 0.81 2.40 -0.04 0.91 2.02 -1.26 -0.27 117.35 121.93 1ilu s TYR 108 Ca 0.07 -0.31 0.02 0.00 -0.37 0.00 0.00 57.07 56.48 1ilu s TYR 108 Cb -0.13 -1.16 0.01 0.00 -0.40 0.00 0.00 41.96 40.28 1ilu s TYR 108 CO 0.02 0.53 -0.08 -1.64 -1.57 0.00 0.00 175.55 172.82 1ilu s MET 109 N -2.85 1.03 0.11 -0.62 -1.94 -0.09 -3.13 119.30 111.80 1ilu s MET 109 Ca 0.23 -0.25 0.03 0.00 -1.71 0.00 0.00 55.69 53.99 1ilu s MET 109 Cb -0.08 -0.95 -0.04 0.00 2.01 0.00 0.00 34.83 35.78 1ilu s MET 109 CO 0.12 0.03 0.12 -1.54 -0.01 0.00 0.00 175.02 173.75 1ilu s SER 110 N 0.50 5.65 0.23 3.03 1.04 -0.16 -2.32 113.70 121.68 1ilu s SER 110 Ca -0.08 -0.01 -0.21 0.00 0.48 0.00 0.00 55.95 56.13 1ilu s SER 110 Cb -0.12 -1.54 0.06 0.00 0.10 0.00 0.00 66.02 64.52 1ilu s SER 110 CO 0.01 0.14 0.91 0.72 0.98 0.00 0.00 173.24 176.00 1ilu s PHE 111 N -1.52 -0.02 -0.14 5.02 -0.12 -0.85 -0.58 117.98 119.77 1ilu s PHE 111 Ca 0.31 -0.42 -0.03 0.00 -0.05 0.00 0.00 56.93 56.74 1ilu s PHE 111 Cb -0.12 0.71 -0.03 0.00 -0.63 0.00 0.00 43.02 42.96 1ilu s PHE 111 CO 0.23 -1.08 -0.05 0.00 -0.05 0.00 0.00 175.22 174.27 1ilu n THR 113 N 3.38 0.00 -1.73 0.00 -2.24 -1.26 -2.94 114.28 109.48 1ilu n THR 113 Ca -0.18 -0.28 -0.42 0.00 -2.27 0.00 0.00 64.05 60.91 1ilu n THR 113 Cb 0.53 0.96 -0.02 0.00 -2.10 0.00 0.00 70.33 69.69 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 0.15 2.80 -1.63 4.78 -0.00 -1.26 -4.51 117.46 117.79 1ilu n PHE 114 Ca 0.13 0.12 -0.51 0.00 -0.00 0.00 0.00 57.45 57.18 1ilu n PHE 114 Cb 0.45 -2.65 -0.06 0.00 -0.00 0.00 0.00 39.48 37.22 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 3.25 1.39 0.00 -7.13 -0.04 -1.26 -1.19 135.00 130.02 1ilu n PRO 115 Ca 0.13 0.50 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 1ilu n PRO 115 Cb 0.36 -2.18 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 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 3.02 3.04 0.18 0.55 0.00 -1.26 -4.88 105.19 105.83 1ilu n GLY 116 Ca 0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 0.63 0.00 1.61 3.86 -1.42 -3.31 115.15 116.51 1ilu h HIS 117 Ca 0.00 -0.29 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 1ilu h HIS 117 Cb 0.00 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.38 1ilu h HIS 117 CO 0.00 1.07 0.30 0.66 0.86 0.00 0.00 177.93 180.82 1ilu h SER 118 N 0.30 0.00 -0.19 2.45 4.64 -1.68 0.11 113.55 119.18 1ilu h SER 118 Ca -0.04 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.09 1ilu h SER 118 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 1ilu h SER 118 CO 0.14 0.00 -0.61 0.00 -0.87 0.00 0.00 176.83 175.49 1ilu h ALA 119 N 1.38 0.47 0.00 5.18 0.00 -1.90 -3.36 119.26 121.03 1ilu h ALA 119 Ca 0.00 -0.54 -0.28 0.00 0.00 0.00 0.00 54.91 54.09 1ilu h ALA 119 Cb 0.60 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1ilu h ALA 119 CO 0.00 0.69 -2.29 1.28 0.00 0.00 0.00 179.25 178.93 1ilu n LEU 120 N -3.98 0.00 -4.28 0.00 7.99 -0.52 -4.74 117.00 111.48 1ilu n LEU 120 Ca -0.05 0.00 -0.43 0.00 -0.01 0.00 0.00 56.01 55.52 1ilu n LEU 120 Cb 0.66 0.37 -0.02 0.00 -0.11 0.00 0.00 43.42 44.32 1ilu n LEU 120 CO 0.50 0.37 0.59 -0.04 -1.51 0.00 0.00 177.39 177.31 1ilu s MET 121 N -2.75 3.83 0.06 3.23 -1.94 0.26 -4.75 119.30 117.24 1ilu s MET 121 Ca -0.09 -3.06 -0.11 0.00 -1.71 0.00 0.00 55.69 50.71 1ilu s MET 121 Cb 0.08 -4.37 0.01 0.00 2.01 0.00 0.00 34.83 32.56 1ilu s MET 121 CO 0.85 -1.25 0.24 -1.59 -0.01 0.00 0.00 175.02 173.26 1ilu s LYS 122 N -0.97 0.81 0.09 2.03 -2.85 -1.26 -1.77 119.74 115.82 1ilu s LYS 122 Ca 0.27 -0.71 -0.26 0.00 -1.00 0.00 0.00 55.97 54.27 1ilu s LYS 122 Cb -0.10 0.34 0.08 0.00 -2.06 0.00 0.00 37.83 36.09 1ilu s LYS 122 CO -0.09 -0.26 0.82 0.20 0.10 0.00 0.00 175.35 176.12 1ilu s GLY 123 N -2.40 -0.43 0.30 0.59 0.00 0.26 -4.73 107.32 100.91 1ilu s GLY 123 Ca -0.01 0.60 -0.00 0.00 0.00 0.00 0.00 44.72 45.31 1ilu s GLY 123 CO -0.07 0.19 0.50 -0.51 0.00 0.00 0.00 173.10 173.21 1ilu s THR 124 N -3.37 5.12 -0.05 0.90 -4.23 -0.95 -0.99 115.64 112.07 1ilu s THR 124 Ca 0.06 -0.38 0.04 0.00 -1.18 0.00 0.00 61.69 60.22 1ilu s THR 124 Cb -0.01 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 70.02 1ilu s THR 124 CO -0.06 -0.42 -0.15 -0.22 -0.54 0.00 0.00 174.62 173.23 1ilu s LEU 125 N -3.93 1.84 0.16 4.79 0.20 -1.18 -0.77 118.68 119.79 1ilu s LEU 125 Ca 0.40 -0.33 0.04 0.00 0.69 0.00 0.00 54.13 54.93 1ilu s LEU 125 Cb -0.10 -0.91 -0.05 0.00 -0.43 0.00 0.00 46.19 44.71 1ilu s LEU 125 CO 0.33 0.11 -0.08 0.28 -0.29 0.00 0.00 176.35 176.70 1ilu s THR 126 N 0.24 1.16 -0.02 3.68 -1.32 0.44 -4.34 115.64 115.48 1ilu s THR 126 Ca -0.07 -2.06 -0.05 0.00 -1.21 0.00 0.00 61.69 58.30 1ilu s THR 126 Cb -0.13 -1.94 -0.04 0.00 -1.51 0.00 0.00 72.50 68.88 1ilu s THR 126 CO 0.03 -0.67 0.21 -0.76 -2.21 0.00 0.00 174.62 171.22 1ilu s LEU 127 N -3.20 4.37 0.00 9.08 1.43 -1.26 -0.14 118.68 128.97 1ilu s LEU 127 Ca 0.19 0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.74 1ilu s LEU 127 Cb 0.03 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.68 1ilu s LEU 127 CO 0.02 0.28 0.27 1.17 0.23 0.00 0.00 176.35 178.31