#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ag0 n ALA 2 N nan 0.00 0.00 0.00 0.00 -1.26 -3.95 120.51 nan 1ag0 n ALA 2 Ca nan 0.00 0.00 0.00 0.00 0.00 0.00 53.44 nan 1ag0 n ALA 2 Cb nan 0.00 0.00 0.00 0.00 0.00 0.00 19.45 nan 1ag0 n ALA 2 CO nan 0.00 0.00 0.39 0.00 0.00 0.00 177.50 nan 1ag0 n GLU 3 N 0.00 0.00 -1.38 0.00 -0.58 -1.26 -5.64 120.64 111.78 1ag0 n GLU 3 Ca 0.00 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.77 1ag0 n GLU 3 Cb 0.00 0.00 0.08 0.00 -0.57 0.00 0.00 31.44 30.95 1ag0 n GLU 3 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ag0 s SER 5 N -2.57 0.19 -0.10 0.00 1.04 -1.26 -1.33 113.70 109.67 1ag0 s SER 5 Ca 0.35 -0.43 -0.10 0.00 0.48 0.00 0.00 55.95 56.25 1ag0 s SER 5 Cb 0.38 0.12 0.03 0.00 0.10 0.00 0.00 66.02 66.65 1ag0 s SER 5 CO -0.12 -0.31 0.28 0.54 0.98 0.00 0.00 173.24 174.61 1ag0 s VAL 6 N -1.43 0.00 -0.55 5.02 0.11 -0.68 -4.98 120.40 117.89 1ag0 s VAL 6 Ca -0.16 -0.04 -0.12 0.00 -2.93 0.00 0.00 61.98 58.73 1ag0 s VAL 6 Cb -0.09 -0.41 0.14 0.00 -1.53 0.00 0.00 36.38 34.48 1ag0 s VAL 6 CO -0.00 -0.02 0.47 -1.81 -3.33 0.00 0.00 175.10 170.40 1ag0 s ASP 7 N 0.05 6.02 -0.17 3.54 1.11 -1.26 -0.75 116.67 125.21 1ag0 s ASP 7 Ca -0.01 -2.00 -0.17 0.00 0.18 0.00 0.00 52.55 50.56 1ag0 s ASP 7 Cb -0.02 -2.11 -0.04 0.00 1.07 0.00 0.00 42.92 41.81 1ag0 s ASP 7 CO 0.01 -0.74 0.43 -0.63 1.18 0.00 0.00 175.17 175.42 1ag0 s ILE 8 N 1.26 5.19 0.19 0.77 -1.09 -0.25 -4.95 121.20 122.32 1ag0 s ILE 8 Ca 0.06 0.81 0.08 0.00 -2.23 0.00 0.00 60.65 59.37 1ag0 s ILE 8 Cb -0.26 -3.77 -0.04 0.00 -1.58 0.00 0.00 42.46 36.82 1ag0 s ILE 8 CO -0.00 0.27 0.02 -1.10 -1.23 0.00 0.00 174.94 172.90 1ag0 s GLN 9 N 1.08 2.45 -0.04 2.79 -0.21 -1.26 -3.04 119.66 121.43 1ag0 s GLN 9 Ca 0.22 -1.15 -0.01 0.00 0.02 0.00 0.00 55.36 54.45 1ag0 s GLN 9 Cb -0.15 -2.35 0.03 0.00 1.00 0.00 0.00 33.01 31.54 1ag0 s GLN 9 CO 0.08 0.44 0.02 0.20 -2.12 0.00 0.00 175.29 173.91 1ag0 s GLY 10 N -3.14 0.27 0.49 3.09 0.00 -0.90 -1.91 107.32 105.23 1ag0 s GLY 10 Ca 0.29 0.12 0.03 0.00 0.00 0.00 0.00 44.72 45.16 1ag0 s GLY 10 CO 0.19 0.98 0.27 1.16 0.00 0.00 0.00 173.10 175.70 1ag0 n ASN 11 N 4.73 2.80 0.10 1.64 6.94 -1.11 -2.92 115.26 127.45 1ag0 n ASN 11 Ca -0.15 -2.82 0.10 0.00 -0.02 0.00 0.00 54.58 51.69 1ag0 n ASN 11 Cb 0.50 0.06 0.44 0.00 -2.36 0.00 0.00 39.78 38.43 1ag0 n ASN 11 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1ag0 n ASP 12 N -1.69 0.48 -0.66 0.53 8.00 -1.26 -1.63 116.55 120.31 1ag0 n ASP 12 Ca -0.07 0.65 0.06 0.00 0.71 0.00 0.00 54.79 56.14 1ag0 n ASP 12 Cb 0.58 -0.74 0.17 0.00 -0.02 0.00 0.00 41.12 41.11 1ag0 n ASP 12 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ag0 n GLN 13 N -2.06 1.83 -3.47 -1.24 3.00 -1.26 -4.92 117.38 109.26 1ag0 n GLN 13 Ca 0.01 -1.29 -0.18 0.00 -0.01 0.00 0.00 57.00 55.53 1ag0 n GLN 13 Cb 0.16 -1.29 0.09 0.00 0.00 0.00 0.00 30.24 29.19 1ag0 n GLN 13 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 1ag0 n MET 14 N 0.55 -6.75 -3.78 -1.09 1.56 -0.65 -5.02 117.12 101.94 1ag0 n MET 14 Ca 0.12 0.83 -0.13 0.00 -0.27 0.00 0.00 57.70 58.26 1ag0 n MET 14 Cb 0.31 -5.84 -0.10 0.00 2.15 0.00 0.00 33.22 29.74 1ag0 n MET 14 CO 0.00 0.00 0.00 1.14 -0.73 0.00 0.00 175.97 176.38 1ag0 s GLN 15 N -5.54 0.49 0.42 2.12 -2.07 -1.26 -4.54 119.66 109.27 1ag0 s GLN 15 Ca 0.10 0.09 -0.21 0.00 -1.82 0.00 0.00 55.36 53.52 1ag0 s GLN 15 Cb -0.04 0.22 -0.11 0.00 -1.09 0.00 0.00 33.01 31.99 1ag0 s GLN 15 CO 0.73 -0.11 0.93 -0.06 -1.32 0.00 0.00 175.29 175.47 1ag0 s PHE 16 N -0.60 3.33 -1.26 9.60 0.08 -1.26 -2.73 117.98 125.14 1ag0 s PHE 16 Ca -0.07 1.59 0.27 0.00 0.12 0.00 0.00 56.93 58.84 1ag0 s PHE 16 Cb -0.04 -2.83 1.29 0.00 -0.57 0.00 0.00 43.02 40.87 1ag0 s PHE 16 CO 0.02 -0.09 1.91 0.27 -0.10 0.00 0.00 175.22 177.23 1ag0 n ASN 17 N -0.58 0.00 -3.98 1.36 6.94 -0.80 -4.82 115.26 113.38 1ag0 n ASN 17 Ca 0.07 0.13 -0.09 0.00 -0.02 0.00 0.00 54.58 54.67 1ag0 n ASN 17 Cb 0.54 -0.37 -0.08 0.00 -2.36 0.00 0.00 39.78 37.51 1ag0 n ASN 17 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1ag0 s THR 18 N -2.74 0.13 -0.02 5.53 -1.32 -1.26 -4.97 115.64 110.99 1ag0 s THR 18 Ca 0.21 -1.49 0.02 0.00 -1.21 0.00 0.00 61.69 59.23 1ag0 s THR 18 Cb 0.18 -1.64 0.04 0.00 -1.51 0.00 0.00 72.50 69.56 1ag0 s THR 18 CO 0.44 -0.58 0.81 -0.46 -2.21 0.00 0.00 174.62 172.62 1ag0 n ASN 19 N -0.08 0.66 -3.64 8.08 0.23 -1.26 -4.94 115.26 114.31 1ag0 n ASN 19 Ca -0.11 -1.71 -0.12 0.00 -0.53 0.00 0.00 54.58 52.11 1ag0 n ASN 19 Cb 0.63 -0.11 -0.07 0.00 -2.08 0.00 0.00 39.78 38.14 1ag0 n ASN 19 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ag0 s ALA 20 N -0.54 -1.71 -0.02 -2.53 0.00 -1.26 -2.43 121.76 113.26 1ag0 s ALA 20 Ca 0.04 2.05 0.03 0.00 0.00 0.00 0.00 51.96 54.08 1ag0 s ALA 20 Cb 0.03 -1.20 -0.00 0.00 0.00 0.00 0.00 23.12 21.96 1ag0 s ALA 20 CO 0.00 -0.34 -0.10 0.42 0.00 0.00 0.00 175.76 175.75 1ag0 s ILE 21 N 0.77 0.86 -0.12 0.00 1.01 0.82 -4.95 121.20 119.59 1ag0 s ILE 21 Ca -0.03 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.22 1ag0 s ILE 21 Cb -0.05 -0.75 0.01 0.00 0.01 0.00 0.00 42.46 41.68 1ag0 s ILE 21 CO -0.06 0.26 -0.20 0.42 0.00 0.00 0.00 174.94 175.36 1ag0 s THR 22 N 0.04 1.89 -0.22 2.92 -4.23 -1.25 0.24 115.64 115.02 1ag0 s THR 22 Ca -0.01 -0.89 -0.07 0.00 -1.18 0.00 0.00 61.69 59.54 1ag0 s THR 22 Cb -0.07 -1.67 -0.03 0.00 1.34 0.00 0.00 72.50 72.06 1ag0 s THR 22 CO 0.00 0.52 0.07 0.68 -0.54 0.00 0.00 174.62 175.35 1ag0 s VAL 23 N 0.76 4.46 -0.08 2.29 -7.23 0.68 -4.88 120.40 116.39 1ag0 s VAL 23 Ca -0.10 -0.13 -0.29 0.00 -1.81 0.00 0.00 61.98 59.65 1ag0 s VAL 23 Cb -0.16 -3.06 -0.06 0.00 0.56 0.00 0.00 36.38 33.67 1ag0 s VAL 23 CO 0.00 0.38 1.75 -0.62 -0.31 0.00 0.00 175.10 176.31 1ag0 s ASP 24 N 1.18 6.47 0.57 4.85 -1.08 -1.26 -1.53 116.67 125.86 1ag0 s ASP 24 Ca 0.04 2.17 0.30 0.00 -0.52 0.00 0.00 52.55 54.54 1ag0 s ASP 24 Cb -0.14 -2.53 1.46 0.00 -1.46 0.00 0.00 42.92 40.24 1ag0 s ASP 24 CO 0.03 -1.10 1.87 0.11 0.52 0.00 0.00 175.17 176.60 1ag0 h LYS 25 N 10.44 0.00 0.00 4.34 1.57 -1.90 0.48 116.57 131.50 1ag0 h LYS 25 Ca -0.40 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.37 1ag0 h LYS 25 Cb 1.19 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.50 1ag0 h LYS 25 CO 0.96 0.00 -0.05 0.66 -0.57 0.00 0.00 179.45 180.45 1ag0 h SER 26 N 0.00 0.00 -3.83 0.86 4.64 -1.97 -3.43 113.55 109.82 1ag0 h SER 26 Ca 0.31 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.10 1ag0 h SER 26 Cb 1.45 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 63.63 1ag0 h SER 26 CO -0.00 0.05 0.72 0.00 -0.87 0.00 0.00 176.83 176.73 1ag0 n LYS 28 N 0.86 0.67 -4.32 0.00 0.00 -1.26 -4.71 118.16 109.41 1ag0 n LYS 28 Ca 0.01 0.29 -0.18 0.00 -0.00 0.00 0.00 58.31 58.43 1ag0 n LYS 28 Cb 0.40 -1.77 -0.09 0.00 -0.00 0.00 0.00 35.03 33.57 1ag0 n LYS 28 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 1ag0 s GLN 29 N -2.59 1.55 -0.22 -1.58 -2.07 -1.26 -2.26 119.66 111.23 1ag0 s GLN 29 Ca -0.10 -1.88 -0.14 0.00 -1.82 0.00 0.00 55.36 51.42 1ag0 s GLN 29 Cb 0.08 -0.05 0.06 0.00 -1.09 0.00 0.00 33.01 32.01 1ag0 s GLN 29 CO 0.81 -0.44 0.54 0.12 -1.32 0.00 0.00 175.29 175.00 1ag0 s PHE 30 N -3.66 -0.77 0.06 9.60 5.36 -0.01 -4.71 117.98 123.85 1ag0 s PHE 30 Ca 0.36 1.63 0.07 0.00 -0.96 0.00 0.00 56.93 58.04 1ag0 s PHE 30 Cb 0.05 0.38 -0.03 0.00 -0.34 0.00 0.00 43.02 43.08 1ag0 s PHE 30 CO 0.17 -0.39 -0.20 0.95 -1.46 0.00 0.00 175.22 174.28 1ag0 s THR 31 N 1.20 1.66 -0.03 0.12 -4.23 -0.45 -1.56 115.64 112.35 1ag0 s THR 31 Ca -0.07 -1.31 0.06 0.00 -1.18 0.00 0.00 61.69 59.19 1ag0 s THR 31 Cb -0.06 -1.47 -0.01 0.00 1.34 0.00 0.00 72.50 72.30 1ag0 s THR 31 CO -0.12 0.10 -0.22 0.54 -0.54 0.00 0.00 174.62 174.39 1ag0 s VAL 32 N -0.93 1.73 -0.20 2.29 0.11 -0.79 -1.68 120.40 120.92 1ag0 s VAL 32 Ca 0.07 -0.92 -0.04 0.00 -2.93 0.00 0.00 61.98 58.16 1ag0 s VAL 32 Cb -0.09 -1.44 -0.01 0.00 -1.53 0.00 0.00 36.38 33.30 1ag0 s VAL 32 CO 0.03 0.49 -0.04 0.20 -3.33 0.00 0.00 175.10 172.44 1ag0 s ASN 33 N -0.38 4.44 -0.17 3.54 0.01 0.07 -1.76 114.94 120.70 1ag0 s ASN 33 Ca 0.05 -0.32 -0.03 0.00 -0.71 0.00 0.00 52.86 51.85 1ag0 s ASN 33 Cb -0.10 -1.75 -0.02 0.00 0.41 0.00 0.00 41.25 39.79 1ag0 s ASN 33 CO 0.00 0.03 -0.06 -0.22 -1.51 0.00 0.00 177.10 175.35 1ag0 s LEU 34 N 1.16 2.99 0.23 0.60 2.96 0.55 -1.09 118.68 126.09 1ag0 s LEU 34 Ca 0.02 -0.27 0.06 0.00 -0.22 0.00 0.00 54.13 53.72 1ag0 s LEU 34 Cb -0.14 -1.73 -0.05 0.00 0.50 0.00 0.00 46.19 44.77 1ag0 s LEU 34 CO -0.00 0.10 -0.08 -0.94 -1.32 0.00 0.00 176.35 174.11 1ag0 s SER 35 N 0.75 2.44 -0.50 3.68 1.04 -1.17 0.96 113.70 120.91 1ag0 s SER 35 Ca -0.03 -1.12 0.03 0.00 0.48 0.00 0.00 55.95 55.32 1ag0 s SER 35 Cb -0.15 -0.11 0.13 0.00 0.10 0.00 0.00 66.02 65.99 1ag0 s SER 35 CO 0.02 -0.31 0.26 -2.28 0.98 0.00 0.00 173.24 171.90 1ag0 s HIS 36 N -3.10 2.82 -0.08 5.02 2.46 -0.46 -2.11 115.29 119.84 1ag0 s HIS 36 Ca 0.26 -2.95 -0.05 0.00 0.47 0.00 0.00 55.06 52.79 1ag0 s HIS 36 Cb 0.02 -2.53 -0.18 0.00 -0.13 0.00 0.00 32.58 29.77 1ag0 s HIS 36 CO 0.09 -0.75 3.27 -0.35 -2.47 0.00 0.00 174.74 174.52 1ag0 n PRO 37 N 3.22 1.94 0.00 2.88 -0.04 -1.15 -0.86 135.00 140.99 1ag0 n PRO 37 Ca 0.06 -1.10 0.00 0.00 -0.04 0.00 0.00 63.50 62.42 1ag0 n PRO 37 Cb 0.33 -1.90 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 1ag0 n PRO 37 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ag0 n GLY 38 N 2.08 3.08 0.00 0.55 0.00 -1.26 -4.52 105.19 105.12 1ag0 n GLY 38 Ca 0.39 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.63 1ag0 n GLY 38 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ag0 n ASN 39 N 0.00 0.00 -4.70 1.61 4.13 -1.26 -4.69 115.26 110.35 1ag0 n ASN 39 Ca 0.00 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.85 1ag0 n ASN 39 Cb 0.00 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.21 1ag0 n ASN 39 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1ag0 s LEU 40 N 0.00 4.30 1.06 3.41 1.43 -1.26 -4.86 118.68 122.75 1ag0 s LEU 40 Ca 0.00 1.44 -0.16 0.00 -1.03 0.00 0.00 54.13 54.39 1ag0 s LEU 40 Cb 0.00 -3.40 0.10 0.00 0.03 0.00 0.00 46.19 42.93 1ag0 s LEU 40 CO 0.00 -0.29 0.31 -0.81 0.23 0.00 0.00 176.35 175.79 1ag0 n PRO 41 N 4.33 -1.17 0.33 1.29 -0.04 -1.26 -2.48 135.00 136.00 1ag0 n PRO 41 Ca 0.05 -0.31 0.21 0.00 -0.04 0.00 0.00 63.50 63.40 1ag0 n PRO 41 Cb 0.50 -1.84 1.13 0.00 -0.04 0.00 0.00 33.50 33.25 1ag0 n PRO 41 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1ag0 h LYS 42 N -1.95 0.00 0.00 0.54 3.64 -1.84 -0.26 116.57 116.70 1ag0 h LYS 42 Ca -0.50 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 58.76 1ag0 h LYS 42 Cb 1.33 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.13 1ag0 h LYS 42 CO 0.38 0.00 -1.06 -2.95 -2.27 0.00 0.00 179.45 173.55 1ag0 h ASN 43 N 0.00 0.00 0.00 4.20 -0.00 -1.94 -3.17 115.58 114.67 1ag0 h ASN 43 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1ag0 h ASN 43 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.33 1ag0 h ASN 43 CO 0.00 0.43 0.00 0.52 -0.00 0.00 0.00 177.43 178.38 1ag0 n VAL 44 N -2.94 0.00 -2.94 6.14 0.31 -0.84 -4.66 118.33 113.41 1ag0 n VAL 44 Ca -0.04 0.47 -0.43 0.00 -0.01 0.00 0.00 64.34 64.33 1ag0 n VAL 44 Cb 0.75 -1.44 0.01 0.00 -0.91 0.00 0.00 33.84 32.25 1ag0 n VAL 44 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1ag0 n MET 45 N -2.16 4.59 -2.62 5.55 2.81 -0.17 -5.01 117.12 120.11 1ag0 n MET 45 Ca 0.00 -4.54 -0.43 0.00 -1.81 0.00 0.00 57.70 50.92 1ag0 n MET 45 Cb 0.00 -2.52 -0.02 0.00 -0.71 0.00 0.00 33.22 29.97 1ag0 n MET 45 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1ag0 s GLY 46 N -1.68 1.33 -0.13 3.03 0.00 -1.20 -4.58 107.32 104.09 1ag0 s GLY 46 Ca 0.32 -0.47 0.01 0.00 0.00 0.00 0.00 44.72 44.58 1ag0 s GLY 46 CO 0.08 2.38 -0.16 0.30 0.00 0.00 0.00 173.10 175.70 1ag0 s HIS 47 N 4.35 2.75 0.30 1.90 3.76 -0.54 -4.46 115.29 123.35 1ag0 s HIS 47 Ca 0.47 -0.78 0.05 0.00 -0.15 0.00 0.00 55.06 54.65 1ag0 s HIS 47 Cb -0.08 -1.82 -0.03 0.00 1.11 0.00 0.00 32.58 31.76 1ag0 s HIS 47 CO 0.30 -0.29 0.23 0.54 -0.85 0.00 0.00 174.74 174.67 1ag0 s ASN 48 N 0.40 1.33 -0.13 1.40 4.22 -1.26 0.23 114.94 121.12 1ag0 s ASN 48 Ca -0.12 -1.65 -0.01 0.00 -2.14 0.00 0.00 52.86 48.94 1ag0 s ASN 48 Cb -0.16 0.50 0.03 0.00 1.28 0.00 0.00 41.25 42.90 1ag0 s ASN 48 CO 0.06 -0.99 -0.04 0.86 -2.04 0.00 0.00 177.10 174.95 1ag0 s TRP 49 N -3.63 1.37 0.03 1.54 -0.00 -1.26 -4.36 118.94 112.63 1ag0 s TRP 49 Ca 0.39 -0.77 0.09 0.00 -0.00 0.00 0.00 56.10 55.81 1ag0 s TRP 49 Cb 0.04 -1.16 -0.03 0.00 -0.00 0.00 0.00 33.47 32.32 1ag0 s TRP 49 CO 0.22 -0.53 -0.26 0.08 -0.00 0.00 0.00 176.95 176.47 1ag0 s VAL 50 N 1.74 2.12 0.07 5.86 1.01 0.37 -0.26 120.40 131.31 1ag0 s VAL 50 Ca 0.03 -1.33 0.09 0.00 0.00 0.00 0.00 61.98 60.77 1ag0 s VAL 50 Cb -0.14 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 1ag0 s VAL 50 CO -0.07 0.41 -0.25 -0.22 0.00 0.00 0.00 175.10 174.97 1ag0 s LEU 51 N -1.10 2.29 0.00 3.92 0.20 0.48 -0.52 118.68 123.95 1ag0 s LEU 51 Ca 0.11 -0.61 0.00 0.00 0.69 0.00 0.00 54.13 54.33 1ag0 s LEU 51 Cb -0.10 -1.31 0.00 0.00 -0.43 0.00 0.00 46.19 44.35 1ag0 s LEU 51 CO 0.01 0.24 0.00 -1.54 -0.29 0.00 0.00 176.35 174.77 1ag0 n SER 52 N 1.48 0.00 -4.70 3.68 3.41 -0.90 -1.79 113.62 114.80 1ag0 n SER 52 Ca -0.17 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.14 1ag0 n SER 52 Cb 0.52 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.62 1ag0 n SER 52 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1ag0 s THR 53 N -2.00 2.56 0.24 6.66 -4.23 -1.26 -0.63 115.64 116.98 1ag0 s THR 53 Ca 0.00 0.18 -0.02 0.00 -1.18 0.00 0.00 61.69 60.67 1ag0 s THR 53 Cb 0.00 -2.62 0.06 0.00 1.34 0.00 0.00 72.50 71.28 1ag0 s THR 53 CO 0.00 -0.24 1.69 0.00 -0.54 0.00 0.00 174.62 175.53 1ag0 h ALA 54 N -1.65 1.00 -0.97 3.99 0.00 -1.81 -2.11 119.26 117.71 1ag0 h ALA 54 Ca -0.50 -0.34 0.18 0.00 0.00 0.00 0.00 54.91 54.25 1ag0 h ALA 54 Cb 1.29 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 1ag0 h ALA 54 CO 0.54 0.59 0.61 0.00 0.00 0.00 0.00 179.25 180.99 1ag0 h ALA 55 N 1.19 1.79 -0.03 0.00 0.00 -1.92 -1.29 119.26 119.00 1ag0 h ALA 55 Ca 0.09 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ag0 h ALA 55 Cb 0.65 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ag0 h ALA 55 CO 0.05 -0.11 -0.08 -0.25 0.00 0.00 0.00 179.25 178.86 1ag0 n ASP 56 N -4.66 2.84 -0.26 0.00 8.00 -1.11 -4.42 116.55 116.93 1ag0 n ASP 56 Ca 0.21 -1.92 0.20 0.00 0.71 0.00 0.00 54.79 53.99 1ag0 n ASP 56 Cb 0.56 0.08 0.52 0.00 -0.02 0.00 0.00 41.12 42.25 1ag0 n ASP 56 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1ag0 h MET 57 N 4.33 0.38 0.00 -1.24 1.85 -0.53 -2.51 114.93 117.21 1ag0 h MET 57 Ca 0.00 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.07 1ag0 h MET 57 Cb 0.96 -0.09 0.00 0.00 0.43 0.00 0.00 31.60 32.90 1ag0 h MET 57 CO 0.00 0.25 0.00 0.94 -0.40 0.00 0.00 176.91 177.70 1ag0 n GLN 58 N -4.52 0.00 -0.28 0.39 -0.06 -1.26 -2.90 117.38 108.75 1ag0 n GLN 58 Ca 0.21 0.37 -0.10 0.00 -2.00 0.00 0.00 57.00 55.48 1ag0 n GLN 58 Cb 0.75 -1.16 -0.08 0.00 -4.06 0.00 0.00 30.24 25.69 1ag0 n GLN 58 CO 0.00 0.00 0.00 0.78 -0.20 0.00 0.00 177.06 177.64 1ag0 h GLY 59 N 0.00 -1.20 -0.71 1.69 0.00 -1.83 0.45 103.07 101.48 1ag0 h GLY 59 Ca 0.00 0.84 0.36 0.00 0.00 0.00 0.00 47.33 48.53 1ag0 h GLY 59 CO 0.00 -0.18 0.57 -2.08 0.00 0.00 0.00 176.54 174.85 1ag0 h VAL 60 N -0.09 0.19 -0.29 4.60 2.07 -1.61 0.72 116.25 121.84 1ag0 h VAL 60 Ca 0.11 -0.07 -0.13 0.00 0.82 0.00 0.00 66.70 67.43 1ag0 h VAL 60 Cb 0.37 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1ag0 h VAL 60 CO -0.69 0.04 -0.32 0.58 0.02 0.00 0.00 177.57 177.20 1ag0 h VAL 61 N 0.20 1.30 0.12 2.57 2.07 -0.05 -2.29 116.25 120.18 1ag0 h VAL 61 Ca 0.78 -1.50 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1ag0 h VAL 61 Cb 1.91 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 33.26 1ag0 h VAL 61 CO -0.66 0.48 -0.06 0.74 0.02 0.00 0.00 177.57 178.09 1ag0 h THR 62 N 0.48 0.00 -1.05 2.57 2.02 0.21 -2.28 112.91 114.87 1ag0 h THR 62 Ca 0.04 -0.04 0.30 0.00 0.77 0.00 0.00 66.41 67.49 1ag0 h THR 62 Cb 0.90 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 1ag0 h THR 62 CO 0.08 0.00 0.87 0.44 0.37 0.00 0.00 175.52 177.27 1ag0 h ASP 63 N -0.21 0.00 0.85 4.18 5.19 -1.04 2.03 116.42 127.44 1ag0 h ASP 63 Ca -0.02 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.29 1ag0 h ASP 63 Cb 0.13 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.62 1ag0 h ASP 63 CO 0.03 0.00 -0.50 1.23 -3.12 0.00 0.00 179.24 176.88 1ag0 h GLY 64 N 0.00 0.00 1.00 2.75 0.00 -1.32 -2.21 103.07 103.28 1ag0 h GLY 64 Ca 0.50 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.62 1ag0 h GLY 64 CO -0.01 0.00 -0.78 1.98 0.00 0.00 0.00 176.54 177.73 1ag0 h MET 65 N 0.00 0.57 -0.25 4.80 -1.53 0.38 -3.29 114.93 115.61 1ag0 h MET 65 Ca -0.00 -0.58 0.04 0.00 -3.44 0.00 0.00 59.70 55.71 1ag0 h MET 65 Cb 1.06 0.16 -0.07 0.00 -0.55 0.00 0.00 31.60 32.20 1ag0 h MET 65 CO 0.06 1.20 -0.50 0.00 0.14 0.00 0.00 176.91 177.82 1ag0 h ALA 66 N 0.39 -0.79 -3.00 0.39 0.00 -0.76 -3.40 119.26 112.08 1ag0 h ALA 66 Ca -0.09 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.54 1ag0 h ALA 66 Cb 1.46 1.03 0.15 0.00 0.00 0.00 0.00 17.79 20.43 1ag0 h ALA 66 CO 0.16 -1.01 -0.10 0.43 0.00 0.00 0.00 179.25 178.73 1ag0 n SER 67 N -5.13 -3.30 -1.07 0.00 7.64 -0.86 -5.05 113.62 105.85 1ag0 n SER 67 Ca -0.04 -0.64 -0.01 0.00 1.01 0.00 0.00 58.87 59.19 1ag0 n SER 67 Cb 0.32 -0.68 -0.00 0.00 -1.01 0.00 0.00 64.21 62.85 1ag0 n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ag0 n GLY 68 N -3.78 3.74 0.31 0.23 0.00 -1.26 -4.77 105.19 99.67 1ag0 n GLY 68 Ca 0.09 -1.59 0.21 0.00 0.00 0.00 0.00 46.02 44.74 1ag0 n GLY 68 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ag0 n LEU 69 N 0.00 0.09 0.04 0.99 7.94 -1.26 0.22 117.00 125.03 1ag0 n LEU 69 Ca 0.00 1.57 0.10 0.00 -1.11 0.00 0.00 56.01 56.57 1ag0 n LEU 69 Cb 0.02 -0.66 0.42 0.00 0.53 0.00 0.00 43.42 43.73 1ag0 n LEU 69 CO 0.01 -1.67 0.82 -0.90 -1.11 0.00 0.00 177.39 174.53 1ag0 n ASP 70 N -5.26 0.25 -0.78 1.96 5.75 -1.26 -2.11 116.55 115.10 1ag0 n ASP 70 Ca 0.28 0.55 0.08 0.00 -0.01 0.00 0.00 54.79 55.70 1ag0 n ASP 70 Cb 0.95 -0.61 0.14 0.00 -1.03 0.00 0.00 41.12 40.57 1ag0 n ASP 70 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1ag0 n LYS 71 N -1.77 1.97 -1.39 0.11 3.00 0.59 -4.93 118.16 115.74 1ag0 n LYS 71 Ca 0.04 -1.85 -0.12 0.00 -0.00 0.00 0.00 58.31 56.37 1ag0 n LYS 71 Cb 0.24 -1.35 -0.05 0.00 0.00 0.00 0.00 35.03 33.87 1ag0 n LYS 71 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1ag0 n ASP 72 N 0.95 -4.48 -3.16 3.14 9.92 -0.89 -2.31 116.55 119.72 1ag0 n ASP 72 Ca 0.13 0.30 -0.23 0.00 -0.53 0.00 0.00 54.79 54.46 1ag0 n ASP 72 Cb 0.45 -3.09 0.02 0.00 -0.64 0.00 0.00 41.12 37.86 1ag0 n ASP 72 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1ag0 n TYR 73 N -2.69 -1.95 -4.00 1.24 4.01 -0.96 -4.68 117.16 108.14 1ag0 n TYR 73 Ca -0.13 0.52 -0.19 0.00 -0.16 0.00 0.00 57.90 57.94 1ag0 n TYR 73 Cb 0.42 -4.00 -0.17 0.00 -0.31 0.00 0.00 39.34 35.28 1ag0 n TYR 73 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1ag0 s LEU 74 N -6.65 1.11 0.36 7.72 0.20 -0.98 -4.27 118.68 116.17 1ag0 s LEU 74 Ca 0.35 -0.08 -0.28 0.00 0.69 0.00 0.00 54.13 54.80 1ag0 s LEU 74 Cb -0.17 -0.36 -0.11 0.00 -0.43 0.00 0.00 46.19 45.13 1ag0 s LEU 74 CO 0.43 -0.10 1.41 -0.75 -0.29 0.00 0.00 176.35 177.05 1ag0 s LYS 75 N 1.17 4.21 0.29 1.98 2.20 -1.26 -4.85 119.74 123.48 1ag0 s LYS 75 Ca -0.07 2.43 -0.29 0.00 -0.36 0.00 0.00 55.97 57.67 1ag0 s LYS 75 Cb -0.14 -3.01 -0.09 0.00 -1.51 0.00 0.00 37.83 33.08 1ag0 s LYS 75 CO -0.02 -0.39 1.08 -2.14 -0.36 0.00 0.00 175.35 173.52 1ag0 s PRO 76 N -1.95 4.62 -1.07 4.03 0.02 -1.26 -3.70 135.00 135.69 1ag0 s PRO 76 Ca 0.51 1.75 -0.03 0.00 0.02 0.00 0.00 61.00 63.25 1ag0 s PRO 76 Cb -0.44 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 30.95 1ag0 s PRO 76 CO 0.59 0.21 0.91 -0.25 -0.33 0.00 0.00 177.00 178.13 1ag0 n ASP 77 N 1.11 -3.43 -4.43 2.53 8.00 -1.26 -4.97 116.55 114.09 1ag0 n ASP 77 Ca -0.01 -0.50 -0.44 0.00 0.71 0.00 0.00 54.79 54.56 1ag0 n ASP 77 Cb 0.45 -4.40 -0.05 0.00 -0.02 0.00 0.00 41.12 37.11 1ag0 n ASP 77 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ag0 s ASP 78 N -3.82 6.20 0.00 -2.24 -1.08 -1.24 -4.88 116.67 109.61 1ag0 s ASP 78 Ca 0.19 -1.08 0.19 0.00 -0.52 0.00 0.00 52.55 51.33 1ag0 s ASP 78 Cb -0.08 -2.35 0.83 0.00 -1.46 0.00 0.00 42.92 39.86 1ag0 s ASP 78 CO 0.62 -1.18 1.59 -1.54 0.52 0.00 0.00 175.17 175.18 1ag0 n SER 79 N 6.83 0.00 0.15 -0.34 3.41 -1.26 -2.86 113.62 119.55 1ag0 n SER 79 Ca -0.06 0.38 0.01 0.00 -0.26 0.00 0.00 58.87 58.94 1ag0 n SER 79 Cb 0.44 -0.45 0.22 0.00 -0.26 0.00 0.00 64.21 64.17 1ag0 n SER 79 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1ag0 h ARG 80 N 0.00 0.00 -5.78 4.33 -0.00 -1.97 -3.43 114.38 107.52 1ag0 h ARG 80 Ca 0.00 0.00 -0.58 0.00 -0.50 0.00 0.00 59.98 58.90 1ag0 h ARG 80 Cb 0.28 0.00 -0.08 0.00 0.00 0.00 0.00 29.97 30.17 1ag0 h ARG 80 CO 0.00 0.54 0.17 0.54 0.00 0.00 0.00 179.97 181.22 1ag0 s VAL 81 N -3.61 5.00 0.09 2.04 0.11 -1.13 -4.47 120.40 118.42 1ag0 s VAL 81 Ca -0.01 1.32 0.07 0.00 -2.93 0.00 0.00 61.98 60.43 1ag0 s VAL 81 Cb 0.12 -4.00 -0.22 0.00 -1.53 0.00 0.00 36.38 30.75 1ag0 s VAL 81 CO 0.74 0.12 1.18 0.40 -3.33 0.00 0.00 175.10 174.21 1ag0 h ILE 82 N 5.11 1.58 -2.24 7.04 2.04 -1.63 -3.48 117.51 125.94 1ag0 h ILE 82 Ca -0.33 -3.30 0.07 0.00 1.00 0.00 0.00 64.86 62.30 1ag0 h ILE 82 Cb 1.15 2.80 -0.16 0.00 -0.74 0.00 0.00 36.82 39.86 1ag0 h ILE 82 CO 0.79 0.91 0.43 0.00 0.00 0.00 0.00 178.15 180.28 1ag0 s ALA 83 N -2.69 -1.80 -0.10 1.87 0.00 -1.23 -5.00 121.76 112.80 1ag0 s ALA 83 Ca -0.00 1.06 -0.30 0.00 0.00 0.00 0.00 51.96 52.72 1ag0 s ALA 83 Cb 0.10 0.26 0.11 0.00 0.00 0.00 0.00 23.12 23.58 1ag0 s ALA 83 CO 0.82 -0.61 0.90 -3.38 0.00 0.00 0.00 175.76 173.50 1ag0 s HIS 84 N -2.70 -0.43 0.37 0.00 -3.43 -1.26 -0.39 115.29 107.46 1ag0 s HIS 84 Ca 0.02 0.64 0.01 0.00 -0.80 0.00 0.00 55.06 54.93 1ag0 s HIS 84 Cb -0.01 0.46 0.07 0.00 -1.43 0.00 0.00 32.58 31.68 1ag0 s HIS 84 CO -0.06 -0.45 0.51 -2.37 -2.00 0.00 0.00 174.74 170.37 1ag0 n THR 85 N 0.54 0.00 -4.58 -5.38 5.66 0.64 -4.79 114.28 106.37 1ag0 n THR 85 Ca -0.12 -0.85 -0.34 0.00 -3.05 0.00 0.00 64.05 59.69 1ag0 n THR 85 Cb 0.59 -1.07 -0.11 0.00 -1.55 0.00 0.00 70.33 68.18 1ag0 n THR 85 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1ag0 s LYS 86 N -3.75 2.76 0.00 1.09 -2.85 -1.26 -4.66 119.74 111.07 1ag0 s LYS 86 Ca 0.34 -0.55 -0.35 0.00 -1.00 0.00 0.00 55.97 54.42 1ag0 s LYS 86 Cb -0.02 -2.61 -0.13 0.00 -2.06 0.00 0.00 37.83 33.01 1ag0 s LYS 86 CO 0.23 0.66 1.70 -0.11 0.10 0.00 0.00 175.35 177.93 1ag0 n LEU 87 N 2.15 3.01 -4.35 2.77 7.94 -1.26 -4.67 117.00 122.59 1ag0 n LEU 87 Ca -0.18 1.04 -0.20 0.00 -1.11 0.00 0.00 56.01 55.56 1ag0 n LEU 87 Cb 0.53 -1.35 -0.10 0.00 0.53 0.00 0.00 43.42 43.03 1ag0 n LEU 87 CO 0.27 -0.29 -0.46 0.27 -1.11 0.00 0.00 177.39 176.08 1ag0 s ILE 88 N 2.45 1.80 0.36 1.96 -4.36 0.14 -4.90 121.20 118.64 1ag0 s ILE 88 Ca 0.87 -2.11 0.08 0.00 -0.26 0.00 0.00 60.65 59.23 1ag0 s ILE 88 Cb -0.75 -1.98 -0.04 0.00 1.25 0.00 0.00 42.46 40.94 1ag0 s ILE 88 CO 0.47 -0.49 0.17 -0.83 0.24 0.00 0.00 174.94 174.51 1ag0 s GLY 89 N -3.09 2.03 0.21 6.27 0.00 -1.26 -1.47 107.32 110.01 1ag0 s GLY 89 Ca 0.20 -1.88 -0.28 0.00 0.00 0.00 0.00 44.72 42.76 1ag0 s GLY 89 CO 0.07 -1.78 0.64 -1.26 0.00 0.00 0.00 173.10 170.77 1ag0 n SER 90 N -1.20 -0.68 0.00 1.64 2.88 -1.03 -0.99 113.62 114.24 1ag0 n SER 90 Ca -0.02 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 1ag0 n SER 90 Cb 0.62 -1.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.06 1ag0 n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ag0 n GLY 91 N 1.83 3.17 3.92 0.46 0.00 -0.04 -4.92 105.19 109.61 1ag0 n GLY 91 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 1ag0 n GLY 91 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ag0 s GLU 92 N -0.43 2.64 0.09 1.61 2.02 -0.16 -4.86 118.70 119.61 1ag0 s GLU 92 Ca 0.00 -0.06 -0.12 0.00 0.02 0.00 0.00 54.97 54.80 1ag0 s GLU 92 Cb 0.00 -2.21 0.02 0.00 0.10 0.00 0.00 34.13 32.03 1ag0 s GLU 92 CO 0.00 -0.93 0.29 0.15 0.02 0.00 0.00 175.26 174.78 1ag0 s LYS 93 N -5.12 0.92 0.13 1.61 1.02 -1.26 -1.35 119.74 115.69 1ag0 s LYS 93 Ca 0.57 -0.79 -0.25 0.00 0.02 0.00 0.00 55.97 55.52 1ag0 s LYS 93 Cb -0.11 0.39 0.07 0.00 -0.52 0.00 0.00 37.83 37.67 1ag0 s LYS 93 CO 0.45 -0.32 0.75 0.34 -0.92 0.00 0.00 175.35 175.65 1ag0 s ASP 94 N -2.70 -0.41 -0.20 2.83 2.15 0.27 -4.96 116.67 113.65 1ag0 s ASP 94 Ca 0.02 -0.14 -0.16 0.00 0.43 0.00 0.00 52.55 52.70 1ag0 s ASP 94 Cb 0.03 0.54 0.05 0.00 -0.30 0.00 0.00 42.92 43.24 1ag0 s ASP 94 CO -0.10 -0.91 0.51 -0.44 -0.17 0.00 0.00 175.17 174.06 1ag0 s SER 95 N -2.72 -0.57 -0.04 -0.34 0.01 -1.26 0.21 113.70 108.99 1ag0 s SER 95 Ca 0.05 1.05 0.07 0.00 1.31 0.00 0.00 55.95 58.43 1ag0 s SER 95 Cb -0.02 1.03 -0.01 0.00 0.21 0.00 0.00 66.02 67.23 1ag0 s SER 95 CO -0.07 -0.19 -0.25 0.54 0.41 0.00 0.00 173.24 173.68 1ag0 s VAL 96 N 0.59 2.09 -0.31 3.43 0.11 -0.72 -4.95 120.40 120.64 1ag0 s VAL 96 Ca -0.03 -1.07 0.01 0.00 -2.93 0.00 0.00 61.98 57.97 1ag0 s VAL 96 Cb -0.05 -1.74 0.08 0.00 -1.53 0.00 0.00 36.38 33.14 1ag0 s VAL 96 CO -0.03 0.57 0.01 -0.89 -3.33 0.00 0.00 175.10 171.43 1ag0 s THR 97 N -0.34 2.56 0.38 5.04 2.01 -1.26 -1.89 115.64 122.14 1ag0 s THR 97 Ca 0.02 -1.83 0.08 0.00 0.31 0.00 0.00 61.69 60.26 1ag0 s THR 97 Cb -0.12 -2.64 -0.03 0.00 0.01 0.00 0.00 72.50 69.72 1ag0 s THR 97 CO 0.02 -0.30 0.30 0.72 -0.69 0.00 0.00 174.62 174.67 1ag0 s PHE 98 N 1.09 2.77 -0.12 4.92 -0.71 -0.60 -4.89 117.98 120.43 1ag0 s PHE 98 Ca -0.00 -0.42 -0.22 0.00 -1.04 0.00 0.00 56.93 55.25 1ag0 s PHE 98 Cb -0.20 -1.97 -0.03 0.00 -1.21 0.00 0.00 43.02 39.61 1ag0 s PHE 98 CO -0.05 0.06 0.64 -0.51 -1.34 0.00 0.00 175.22 174.03 1ag0 s ASP 99 N -4.03 6.84 0.00 1.98 1.01 -1.26 -0.83 116.67 120.38 1ag0 s ASP 99 Ca 0.44 1.02 0.13 0.00 0.71 0.00 0.00 52.55 54.84 1ag0 s ASP 99 Cb -0.03 -2.37 0.75 0.00 1.01 0.00 0.00 42.92 42.28 1ag0 s ASP 99 CO 0.26 -0.15 1.18 1.33 0.21 0.00 0.00 175.17 178.00 1ag0 n VAL 100 N 4.05 0.00 0.53 -1.27 0.24 -0.96 -1.56 118.33 119.36 1ag0 n VAL 100 Ca -0.02 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.41 1ag0 n VAL 100 Cb 0.51 -0.75 0.33 0.00 -1.47 0.00 0.00 33.84 32.46 1ag0 n VAL 100 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1ag0 h SER 101 N 0.00 0.00 1.61 -1.34 0.02 -1.90 -2.98 113.55 108.96 1ag0 h SER 101 Ca 0.00 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1ag0 h SER 101 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 1ag0 h SER 101 CO 0.00 0.01 -0.10 0.11 -1.14 0.00 0.00 176.83 175.71 1ag0 h LYS 102 N 0.00 0.00 -7.01 3.45 1.57 -1.69 -3.44 116.57 109.45 1ag0 h LYS 102 Ca 0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 1ag0 h LYS 102 Cb 0.80 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.15 1ag0 h LYS 102 CO 0.00 0.10 0.14 -0.51 -0.57 0.00 0.00 179.45 178.61 1ag0 s LEU 103 N -6.30 3.48 0.01 2.94 1.02 -1.13 -5.10 118.68 113.60 1ag0 s LEU 103 Ca 0.05 0.87 0.01 0.00 0.02 0.00 0.00 54.13 55.08 1ag0 s LEU 103 Cb 0.07 -3.79 -0.01 0.00 0.02 0.00 0.00 46.19 42.48 1ag0 s LEU 103 CO 0.65 -0.75 -0.03 -0.54 0.02 0.00 0.00 176.35 175.71 1ag0 s LYS 104 N -4.84 0.22 0.30 1.70 1.02 -1.26 -5.03 119.74 111.85 1ag0 s LYS 104 Ca 0.50 -0.24 -0.29 0.00 0.02 0.00 0.00 55.97 55.96 1ag0 s LYS 104 Cb -0.10 -0.11 -0.10 0.00 -0.52 0.00 0.00 37.83 37.00 1ag0 s LYS 104 CO 0.45 0.02 1.13 -1.21 -0.92 0.00 0.00 175.35 174.83 1ag0 s GLU 105 N -0.46 4.54 0.00 1.68 8.01 -1.26 -3.18 118.70 128.03 1ag0 s GLU 105 Ca -0.03 1.86 0.00 0.00 0.01 0.00 0.00 54.97 56.80 1ag0 s GLU 105 Cb -0.03 -3.11 0.00 0.00 -4.31 0.00 0.00 34.13 26.68 1ag0 s GLU 105 CO -0.00 0.10 0.00 0.41 0.01 0.00 0.00 175.26 175.78 1ag0 n GLY 106 N 1.06 2.74 3.76 -1.39 0.00 -1.26 -5.02 105.19 105.08 1ag0 n GLY 106 Ca -0.00 -0.56 -0.39 0.00 0.00 0.00 0.00 46.02 45.07 1ag0 n GLY 106 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ag0 s GLU 107 N 0.00 4.66 -0.26 1.61 2.12 -1.19 -5.04 118.70 120.59 1ag0 s GLU 107 Ca 0.00 1.53 -0.10 0.00 0.36 0.00 0.00 54.97 56.75 1ag0 s GLU 107 Cb 0.00 -3.05 -0.05 0.00 0.26 0.00 0.00 34.13 31.29 1ag0 s GLU 107 CO 0.00 0.31 0.16 -1.14 -0.54 0.00 0.00 175.26 174.05 1ag0 s GLN 108 N -1.62 3.94 0.34 4.30 -0.44 -1.26 -4.84 119.66 120.08 1ag0 s GLN 108 Ca 0.46 -0.33 0.08 0.00 -2.50 0.00 0.00 55.36 53.06 1ag0 s GLN 108 Cb -0.25 -3.57 -0.03 0.00 -1.64 0.00 0.00 33.01 27.52 1ag0 s GLN 108 CO 0.32 -0.11 0.26 0.71 0.50 0.00 0.00 175.29 176.96 1ag0 s TYR 109 N 1.53 2.86 -0.04 1.67 2.02 -1.25 -2.70 117.35 121.45 1ag0 s TYR 109 Ca 0.07 -0.32 -0.07 0.00 -0.37 0.00 0.00 57.07 56.38 1ag0 s TYR 109 Cb -0.15 -1.76 0.01 0.00 -0.40 0.00 0.00 41.96 39.66 1ag0 s TYR 109 CO 0.08 0.22 0.17 -1.64 -1.57 0.00 0.00 175.55 172.81 1ag0 s MET 110 N -3.96 0.35 0.16 -0.62 -1.94 0.20 -2.41 119.30 111.09 1ag0 s MET 110 Ca 0.40 -0.05 0.09 0.00 -1.71 0.00 0.00 55.69 54.41 1ag0 s MET 110 Cb -0.05 0.16 -0.04 0.00 2.01 0.00 0.00 34.83 36.90 1ag0 s MET 110 CO 0.26 -0.07 -0.10 -0.59 -0.01 0.00 0.00 175.02 174.51 1ag0 s PHE 111 N -0.62 2.65 0.01 -0.03 -0.12 -1.13 -2.11 117.98 116.63 1ag0 s PHE 111 Ca -0.07 -0.21 -0.00 0.00 -0.05 0.00 0.00 56.93 56.59 1ag0 s PHE 111 Cb -0.04 -1.31 0.00 0.00 -0.63 0.00 0.00 43.02 41.03 1ag0 s PHE 111 CO 0.01 0.49 0.02 1.97 -0.05 0.00 0.00 175.22 177.66 1ag0 n PHE 112 N 0.18 -0.84 -4.76 3.49 -1.74 0.32 -1.65 117.46 112.47 1ag0 n PHE 112 Ca -0.11 -0.04 -0.29 0.00 -0.56 0.00 0.00 57.45 56.45 1ag0 n PHE 112 Cb 0.55 0.02 -0.17 0.00 1.52 0.00 0.00 39.48 41.40 1ag0 n PHE 112 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1ag0 s ASP 113 N -1.05 2.55 0.00 5.98 -1.08 -1.03 -0.48 116.67 121.55 1ag0 s ASP 113 Ca 0.00 -0.46 0.25 0.00 -0.52 0.00 0.00 52.55 51.83 1ag0 s ASP 113 Cb -0.00 -1.16 0.55 0.00 -1.46 0.00 0.00 42.92 40.85 1ag0 s ASP 113 CO 0.00 0.07 1.44 0.35 0.52 0.00 0.00 175.17 177.56 1ag0 n THR 114 N 3.87 0.00 -1.71 1.71 -2.24 -1.26 -3.11 114.28 111.54 1ag0 n THR 114 Ca -0.20 -0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.13 1ag0 n THR 114 Cb 0.52 0.25 -0.02 0.00 -2.10 0.00 0.00 70.33 68.99 1ag0 n THR 114 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1ag0 n PHE 115 N -1.40 2.47 -1.60 4.78 -0.00 -1.26 -4.44 117.46 116.00 1ag0 n PHE 115 Ca 0.06 0.41 -0.51 0.00 -0.00 0.00 0.00 57.45 57.41 1ag0 n PHE 115 Cb 0.34 -2.50 -0.06 0.00 -0.00 0.00 0.00 39.48 37.26 1ag0 n PHE 115 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1ag0 n PRO 116 N 1.62 1.28 -0.98 -7.13 -0.02 -1.26 -1.88 135.00 126.64 1ag0 n PRO 116 Ca 0.08 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1ag0 n PRO 116 Cb 0.35 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1ag0 n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ag0 n GLY 117 N 2.58 0.50 0.10 -1.23 0.00 -1.26 -4.89 105.19 101.00 1ag0 n GLY 117 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 1ag0 n GLY 117 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ag0 n HIS 118 N -2.61 0.00 0.32 1.61 8.25 -0.79 -4.48 115.22 117.52 1ag0 n HIS 118 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.49 1ag0 n HIS 118 Cb 0.07 -0.95 0.16 0.00 1.12 0.00 0.00 29.99 30.39 1ag0 n HIS 118 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1ag0 n SER 119 N -2.80 0.00 0.01 0.41 3.41 -1.18 -0.13 113.62 113.34 1ag0 n SER 119 Ca -0.34 0.11 -0.22 0.00 -0.26 0.00 0.00 58.87 58.17 1ag0 n SER 119 Cb 1.10 -0.23 -0.14 0.00 -0.26 0.00 0.00 64.21 64.69 1ag0 n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ag0 h ALA 120 N 2.32 0.36 -0.63 7.33 0.00 -1.90 -3.36 119.26 123.38 1ag0 h ALA 120 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 54.91 53.58 1ag0 h ALA 120 Cb 0.05 0.65 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1ag0 h ALA 120 CO 0.00 1.21 0.00 -0.11 0.00 0.00 0.00 179.25 180.35 1ag0 n LEU 121 N -3.56 3.78 -3.23 0.00 7.94 -0.75 -4.73 117.00 116.45 1ag0 n LEU 121 Ca -0.30 -2.04 -0.21 0.00 -1.11 0.00 0.00 56.01 52.35 1ag0 n LEU 121 Cb 1.03 -0.44 -0.07 0.00 0.53 0.00 0.00 43.42 44.48 1ag0 n LEU 121 CO 0.44 0.91 -0.21 -0.04 -1.11 0.00 0.00 177.39 177.39 1ag0 s MET 122 N -1.08 0.95 0.35 1.96 -1.94 0.82 -4.29 119.30 116.07 1ag0 s MET 122 Ca 0.43 -1.84 -0.02 0.00 -1.71 0.00 0.00 55.69 52.55 1ag0 s MET 122 Cb 0.23 -1.06 0.01 0.00 2.01 0.00 0.00 34.83 36.03 1ag0 s MET 122 CO 0.28 -1.37 0.51 0.36 -0.01 0.00 0.00 175.02 174.79 1ag0 n LYS 123 N 2.87 0.73 -3.10 2.03 2.85 -1.26 -2.48 118.16 119.80 1ag0 n LYS 123 Ca 0.27 -2.78 0.00 0.00 -1.05 0.00 0.00 58.31 54.75 1ag0 n LYS 123 Cb 0.50 2.71 0.00 0.00 -0.65 0.00 0.00 35.03 37.59 1ag0 n LYS 123 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ag0 n GLY 124 N -0.58 -1.26 3.23 2.58 0.00 -0.66 -4.77 105.19 103.73 1ag0 n GLY 124 Ca 0.00 -0.87 -0.27 0.00 0.00 0.00 0.00 46.02 44.88 1ag0 n GLY 124 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ag0 s THR 125 N -2.87 1.67 -0.13 2.61 -4.23 -1.02 -2.84 115.64 108.84 1ag0 s THR 125 Ca 0.00 -0.94 -0.02 0.00 -1.18 0.00 0.00 61.69 59.55 1ag0 s THR 125 Cb 0.00 -1.39 -0.03 0.00 1.34 0.00 0.00 72.50 72.42 1ag0 s THR 125 CO 0.00 0.43 -0.05 -0.22 -0.54 0.00 0.00 174.62 174.25 1ag0 s LEU 126 N -0.59 3.23 -0.10 4.79 0.20 -1.01 -0.13 118.68 125.07 1ag0 s LEU 126 Ca 0.08 -0.09 0.03 0.00 0.69 0.00 0.00 54.13 54.84 1ag0 s LEU 126 Cb -0.08 -1.75 0.00 0.00 -0.43 0.00 0.00 46.19 43.93 1ag0 s LEU 126 CO -0.00 0.23 -0.21 -0.89 -0.29 0.00 0.00 176.35 175.19 1ag0 s THR 127 N -0.04 1.87 -0.70 3.68 2.01 0.67 -3.75 115.64 119.39 1ag0 s THR 127 Ca 0.01 -0.90 -0.15 0.00 0.31 0.00 0.00 61.69 60.96 1ag0 s THR 127 Cb -0.13 -1.64 0.17 0.00 0.01 0.00 0.00 72.50 70.91 1ag0 s THR 127 CO 0.03 0.52 0.66 -0.22 -0.69 0.00 0.00 174.62 174.92 1ag0 s LEU 128 N 0.51 6.42 0.00 4.42 2.96 -1.26 0.25 118.68 131.97 1ag0 s LEU 128 Ca -0.16 -2.24 0.00 0.00 -0.22 0.00 0.00 54.13 51.51 1ag0 s LEU 128 Cb -0.17 -2.22 0.00 0.00 0.50 0.00 0.00 46.19 44.30 1ag0 s LEU 128 CO 0.06 -0.73 0.00 2.29 -1.32 0.00 0.00 176.35 176.65