#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ag0 s ALA 2 N nan 3.37 0.00 0.00 0.00 -1.26 -3.94 121.76 nan 1ag0 s ALA 2 Ca nan -1.59 0.00 0.00 0.00 0.00 0.00 51.96 nan 1ag0 s ALA 2 Cb nan -3.34 0.00 0.00 0.00 0.00 0.00 23.12 nan 1ag0 s ALA 2 CO nan -1.95 0.00 0.39 0.00 0.00 0.00 175.76 nan 1ag0 n GLU 3 N 6.21 0.00 -1.22 0.00 -0.58 -1.26 -5.65 120.64 118.14 1ag0 n GLU 3 Ca -0.05 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.73 1ag0 n GLU 3 Cb 0.46 0.00 0.08 0.00 -0.57 0.00 0.00 31.44 31.41 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 -2.39 0.20 -0.11 0.00 1.04 -1.26 -1.35 113.70 109.84 1ag0 s SER 5 Ca 0.35 -0.44 -0.10 0.00 0.48 0.00 0.00 55.95 56.24 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 -0.14 -0.31 0.29 0.54 0.98 0.00 0.00 173.24 174.60 1ag0 s VAL 6 N -1.42 -0.00 -0.59 5.02 0.11 -0.74 -4.99 120.40 117.79 1ag0 s VAL 6 Ca -0.16 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 58.77 1ag0 s VAL 6 Cb -0.09 -0.40 0.15 0.00 -1.53 0.00 0.00 36.38 34.50 1ag0 s VAL 6 CO -0.01 0.00 0.50 -1.81 -3.33 0.00 0.00 175.10 170.46 1ag0 s ASP 7 N 0.16 6.07 -0.18 3.54 1.11 -1.26 -0.58 116.67 125.53 1ag0 s ASP 7 Ca -0.00 -2.12 -0.17 0.00 0.18 0.00 0.00 52.55 50.43 1ag0 s ASP 7 Cb -0.02 -2.11 -0.04 0.00 1.07 0.00 0.00 42.92 41.82 1ag0 s ASP 7 CO 0.00 -0.70 0.46 -0.63 1.18 0.00 0.00 175.17 175.49 1ag0 s ILE 8 N 1.06 5.16 0.20 0.77 -1.09 -0.15 -4.95 121.20 122.21 1ag0 s ILE 8 Ca 0.08 0.86 0.07 0.00 -2.23 0.00 0.00 60.65 59.44 1ag0 s ILE 8 Cb -0.24 -3.79 -0.04 0.00 -1.58 0.00 0.00 42.46 36.81 1ag0 s ILE 8 CO -0.01 0.25 0.06 -1.10 -1.23 0.00 0.00 174.94 172.91 1ag0 s GLN 9 N 1.23 2.59 -0.04 2.79 -0.21 -1.26 -3.01 119.66 121.75 1ag0 s GLN 9 Ca 0.23 -1.10 -0.00 0.00 0.02 0.00 0.00 55.36 54.50 1ag0 s GLN 9 Cb -0.15 -2.42 0.03 0.00 1.00 0.00 0.00 33.01 31.47 1ag0 s GLN 9 CO 0.09 0.43 0.01 0.20 -2.12 0.00 0.00 175.29 173.90 1ag0 s GLY 10 N -3.28 0.28 0.34 3.09 0.00 -0.92 -1.95 107.32 104.88 1ag0 s GLY 10 Ca 0.30 0.11 0.02 0.00 0.00 0.00 0.00 44.72 45.15 1ag0 s GLY 10 CO 0.21 0.81 0.13 1.16 0.00 0.00 0.00 173.10 175.41 1ag0 n ASN 11 N 4.49 2.55 0.05 1.64 6.94 -1.08 -2.83 115.26 127.01 1ag0 n ASN 11 Ca -0.19 -2.35 0.08 0.00 -0.02 0.00 0.00 54.58 52.10 1ag0 n ASN 11 Cb 0.50 0.11 0.36 0.00 -2.36 0.00 0.00 39.78 38.39 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 -1.53 0.23 -1.06 0.53 8.00 -1.26 -1.98 116.55 119.49 1ag0 n ASP 12 Ca -0.08 0.56 0.07 0.00 0.71 0.00 0.00 54.79 56.05 1ag0 n ASP 12 Cb 0.41 -0.61 0.23 0.00 -0.02 0.00 0.00 41.12 41.13 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 -1.76 2.57 -3.59 -1.24 3.00 -1.26 -4.93 117.38 110.17 1ag0 n GLN 13 Ca 0.03 -1.85 -0.21 0.00 -0.01 0.00 0.00 57.00 54.96 1ag0 n GLN 13 Cb 0.18 -1.57 0.06 0.00 0.00 0.00 0.00 30.24 28.91 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 0.77 -6.18 -3.79 -1.09 1.56 -0.84 -5.01 117.12 102.53 1ag0 n MET 14 Ca 0.17 0.75 -0.13 0.00 -0.27 0.00 0.00 57.70 58.22 1ag0 n MET 14 Cb 0.55 -5.61 -0.10 0.00 2.15 0.00 0.00 33.22 30.21 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 -5.83 0.44 0.47 2.12 -2.07 -1.26 -4.54 119.66 108.99 1ag0 s GLN 15 Ca 0.15 0.06 -0.19 0.00 -1.82 0.00 0.00 55.36 53.57 1ag0 s GLN 15 Cb -0.07 0.20 -0.09 0.00 -1.09 0.00 0.00 33.01 31.95 1ag0 s GLN 15 CO 0.77 -0.09 0.96 -0.06 -1.32 0.00 0.00 175.29 175.55 1ag0 s PHE 16 N -0.57 3.38 -1.31 9.60 0.08 -1.26 -2.63 117.98 125.28 1ag0 s PHE 16 Ca -0.07 1.53 0.30 0.00 0.12 0.00 0.00 56.93 58.81 1ag0 s PHE 16 Cb -0.04 -2.81 1.38 0.00 -0.57 0.00 0.00 43.02 40.97 1ag0 s PHE 16 CO 0.02 -0.24 1.98 0.27 -0.10 0.00 0.00 175.22 177.15 1ag0 n ASN 17 N -1.12 0.06 -3.91 1.36 6.94 -0.82 -4.83 115.26 112.94 1ag0 n ASN 17 Ca 0.07 0.01 -0.09 0.00 -0.02 0.00 0.00 54.58 54.55 1ag0 n ASN 17 Cb 0.54 -0.31 -0.08 0.00 -2.36 0.00 0.00 39.78 37.57 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 -2.71 0.15 -0.01 5.53 -1.32 -1.26 -4.97 115.64 111.05 1ag0 s THR 18 Ca 0.24 -1.26 0.02 0.00 -1.21 0.00 0.00 61.69 59.48 1ag0 s THR 18 Cb 0.20 -1.25 0.03 0.00 -1.51 0.00 0.00 72.50 69.97 1ag0 s THR 18 CO 0.49 -0.69 0.83 -0.46 -2.21 0.00 0.00 174.62 172.58 1ag0 n ASN 19 N 0.19 1.08 -3.66 8.08 0.23 -1.26 -4.94 115.26 114.99 1ag0 n ASN 19 Ca -0.16 -1.75 -0.12 0.00 -0.53 0.00 0.00 54.58 52.02 1ag0 n ASN 19 Cb 0.61 -0.07 -0.08 0.00 -2.08 0.00 0.00 39.78 38.16 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 -0.73 -1.56 -0.02 -2.53 0.00 -1.26 -2.36 121.76 113.29 1ag0 s ALA 20 Ca 0.04 1.86 0.03 0.00 0.00 0.00 0.00 51.96 53.88 1ag0 s ALA 20 Cb 0.03 -1.09 0.00 0.00 0.00 0.00 0.00 23.12 22.07 1ag0 s ALA 20 CO 0.00 -0.31 -0.09 0.42 0.00 0.00 0.00 175.76 175.78 1ag0 s ILE 21 N 0.65 0.80 -0.11 0.00 1.01 0.67 -4.96 121.20 119.25 1ag0 s ILE 21 Ca -0.03 -0.38 0.03 0.00 0.00 0.00 0.00 60.65 60.28 1ag0 s ILE 21 Cb -0.05 -0.71 0.01 0.00 0.01 0.00 0.00 42.46 41.72 1ag0 s ILE 21 CO -0.04 0.25 -0.21 0.42 0.00 0.00 0.00 174.94 175.36 1ag0 s THR 22 N 0.14 1.90 -0.21 2.92 -4.23 -1.25 0.22 115.64 115.12 1ag0 s THR 22 Ca -0.02 -0.90 -0.06 0.00 -1.18 0.00 0.00 61.69 59.52 1ag0 s THR 22 Cb -0.08 -1.68 -0.03 0.00 1.34 0.00 0.00 72.50 72.05 1ag0 s THR 22 CO 0.00 0.52 0.04 0.68 -0.54 0.00 0.00 174.62 175.32 1ag0 s VAL 23 N 0.66 4.27 -0.10 2.29 -7.23 0.75 -4.88 120.40 116.15 1ag0 s VAL 23 Ca -0.12 -0.20 -0.29 0.00 -1.81 0.00 0.00 61.98 59.55 1ag0 s VAL 23 Cb -0.16 -2.95 -0.05 0.00 0.56 0.00 0.00 36.38 33.78 1ag0 s VAL 23 CO 0.03 0.41 1.63 -0.62 -0.31 0.00 0.00 175.10 176.24 1ag0 s ASP 24 N 1.02 6.60 0.59 4.85 -1.08 -1.26 -1.36 116.67 126.03 1ag0 s ASP 24 Ca 0.03 2.07 0.29 0.00 -0.52 0.00 0.00 52.55 54.42 1ag0 s ASP 24 Cb -0.14 -2.53 1.48 0.00 -1.46 0.00 0.00 42.92 40.27 1ag0 s ASP 24 CO 0.02 -1.01 1.90 0.11 0.52 0.00 0.00 175.17 176.72 1ag0 h LYS 25 N 9.82 0.00 0.00 4.34 1.57 -1.90 0.50 116.57 130.90 1ag0 h LYS 25 Ca -0.37 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.38 1ag0 h LYS 25 Cb 1.17 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.48 1ag0 h LYS 25 CO 0.96 0.00 -0.11 0.66 -0.57 0.00 0.00 179.45 180.40 1ag0 h SER 26 N 0.00 0.00 -3.92 0.86 4.64 -1.97 -3.43 113.55 109.73 1ag0 h SER 26 Ca 0.21 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.00 1ag0 h SER 26 Cb 1.16 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 63.33 1ag0 h SER 26 CO -0.00 0.11 0.66 0.00 -0.87 0.00 0.00 176.83 176.72 1ag0 n LYS 28 N 0.42 0.66 -4.27 0.00 0.00 -1.26 -4.72 118.16 108.98 1ag0 n LYS 28 Ca 0.02 0.24 -0.16 0.00 -0.00 0.00 0.00 58.31 58.41 1ag0 n LYS 28 Cb 0.42 -1.73 -0.09 0.00 -0.00 0.00 0.00 35.03 33.63 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 -2.57 1.44 -0.21 -1.58 -2.07 -1.26 -2.51 119.66 110.89 1ag0 s GLN 29 Ca -0.09 -1.80 -0.13 0.00 -1.82 0.00 0.00 55.36 51.53 1ag0 s GLN 29 Cb 0.07 0.08 0.07 0.00 -1.09 0.00 0.00 33.01 32.14 1ag0 s GLN 29 CO 0.81 -0.43 0.53 0.12 -1.32 0.00 0.00 175.29 174.99 1ag0 s PHE 30 N -3.82 -0.78 0.04 9.60 5.36 -0.04 -4.73 117.98 123.61 1ag0 s PHE 30 Ca 0.38 1.62 0.08 0.00 -0.96 0.00 0.00 56.93 58.05 1ag0 s PHE 30 Cb 0.06 0.40 -0.03 0.00 -0.34 0.00 0.00 43.02 43.11 1ag0 s PHE 30 CO 0.16 -0.41 -0.23 0.95 -1.46 0.00 0.00 175.22 174.23 1ag0 s THR 31 N 1.40 1.86 -0.04 0.12 -4.23 -0.45 -1.35 115.64 112.96 1ag0 s THR 31 Ca -0.09 -1.27 0.07 0.00 -1.18 0.00 0.00 61.69 59.22 1ag0 s THR 31 Cb -0.07 -1.60 -0.01 0.00 1.34 0.00 0.00 72.50 72.15 1ag0 s THR 31 CO -0.14 0.28 -0.25 0.54 -0.54 0.00 0.00 174.62 174.51 1ag0 s VAL 32 N -0.79 1.98 -0.19 2.29 0.11 -0.64 -1.79 120.40 121.36 1ag0 s VAL 32 Ca 0.09 -1.05 -0.04 0.00 -2.93 0.00 0.00 61.98 58.05 1ag0 s VAL 32 Cb -0.09 -1.66 -0.02 0.00 -1.53 0.00 0.00 36.38 33.08 1ag0 s VAL 32 CO 0.02 0.56 -0.02 0.20 -3.33 0.00 0.00 175.10 172.53 1ag0 s ASN 33 N -0.38 4.71 -0.15 3.54 0.01 0.25 -1.71 114.94 121.21 1ag0 s ASN 33 Ca 0.03 -0.23 -0.01 0.00 -0.71 0.00 0.00 52.86 51.94 1ag0 s ASN 33 Cb -0.11 -1.80 -0.02 0.00 0.41 0.00 0.00 41.25 39.73 1ag0 s ASN 33 CO 0.01 0.07 -0.10 -0.22 -1.51 0.00 0.00 177.10 175.35 1ag0 s LEU 34 N 0.97 2.83 0.25 0.60 2.96 0.46 -0.98 118.68 125.77 1ag0 s LEU 34 Ca 0.01 -0.31 0.06 0.00 -0.22 0.00 0.00 54.13 53.67 1ag0 s LEU 34 Cb -0.14 -1.66 -0.05 0.00 0.50 0.00 0.00 46.19 44.83 1ag0 s LEU 34 CO 0.01 0.14 -0.07 -0.94 -1.32 0.00 0.00 176.35 174.17 1ag0 s SER 35 N 0.53 2.48 -0.47 3.68 1.04 -1.16 0.78 113.70 120.57 1ag0 s SER 35 Ca -0.07 -1.15 0.03 0.00 0.48 0.00 0.00 55.95 55.24 1ag0 s SER 35 Cb -0.15 -0.12 0.13 0.00 0.10 0.00 0.00 66.02 65.98 1ag0 s SER 35 CO 0.04 -0.34 0.24 -2.28 0.98 0.00 0.00 173.24 171.87 1ag0 s HIS 36 N -3.10 2.61 -0.04 5.02 2.46 -0.65 -2.17 115.29 119.42 1ag0 s HIS 36 Ca 0.27 -2.79 -0.04 0.00 0.47 0.00 0.00 55.06 52.97 1ag0 s HIS 36 Cb 0.03 -2.37 -0.14 0.00 -0.13 0.00 0.00 32.58 29.97 1ag0 s HIS 36 CO 0.10 -0.77 2.96 -0.35 -2.47 0.00 0.00 174.74 174.20 1ag0 n PRO 37 N 3.39 1.68 0.00 2.88 -0.04 -1.13 -0.82 135.00 140.95 1ag0 n PRO 37 Ca 0.06 -0.76 0.00 0.00 -0.04 0.00 0.00 63.50 62.76 1ag0 n PRO 37 Cb 0.34 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 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 1.97 2.98 0.00 0.55 0.00 -1.26 -4.53 105.19 104.90 1ag0 n GLY 38 Ca 0.28 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 -4.69 1.61 4.13 -1.26 -4.67 115.26 110.38 1ag0 n ASN 39 Ca 0.00 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.84 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 -0.02 4.27 1.06 3.41 1.43 -1.26 -4.85 118.68 122.71 1ag0 s LEU 40 Ca 0.00 1.46 -0.16 0.00 -1.03 0.00 0.00 54.13 54.40 1ag0 s LEU 40 Cb 0.00 -3.45 0.09 0.00 0.03 0.00 0.00 46.19 42.86 1ag0 s LEU 40 CO 0.00 -0.35 0.23 -0.81 0.23 0.00 0.00 176.35 175.65 1ag0 n PRO 41 N 4.62 -1.13 0.33 1.29 -0.04 -1.26 -2.41 135.00 136.40 1ag0 n PRO 41 Ca 0.06 -0.30 0.21 0.00 -0.04 0.00 0.00 63.50 63.43 1ag0 n PRO 41 Cb 0.50 -1.79 1.16 0.00 -0.04 0.00 0.00 33.50 33.32 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 -1.91 0.00 0.00 0.54 3.64 -1.85 -0.22 116.57 116.77 1ag0 h LYS 42 Ca -0.50 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 58.79 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 0.37 0.00 -1.11 -2.95 -2.27 0.00 0.00 179.45 173.49 1ag0 h ASN 43 N 0.00 0.00 0.00 4.20 -0.00 -1.94 -3.16 115.58 114.68 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 0.33 -0.04 0.52 -0.00 0.00 0.00 177.43 178.24 1ag0 n VAL 44 N -2.85 0.12 -2.92 6.14 0.31 -0.85 -4.65 118.33 113.62 1ag0 n VAL 44 Ca -0.04 0.48 -0.42 0.00 -0.01 0.00 0.00 64.34 64.34 1ag0 n VAL 44 Cb 0.71 -1.57 0.01 0.00 -0.91 0.00 0.00 33.84 32.07 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 -2.46 4.67 -2.57 5.55 2.81 -0.15 -5.01 117.12 119.95 1ag0 n MET 45 Ca -0.01 -4.59 -0.43 0.00 -1.81 0.00 0.00 57.70 50.86 1ag0 n MET 45 Cb 0.02 -2.49 -0.02 0.00 -0.71 0.00 0.00 33.22 30.02 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 -1.74 1.23 -0.13 3.03 0.00 -1.19 -4.58 107.32 103.94 1ag0 s GLY 46 Ca 0.33 -0.54 -0.00 0.00 0.00 0.00 0.00 44.72 44.51 1ag0 s GLY 46 CO 0.05 2.48 -0.12 0.30 0.00 0.00 0.00 173.10 175.80 1ag0 s HIS 47 N 4.69 2.82 0.31 1.90 3.76 -0.31 -4.43 115.29 124.04 1ag0 s HIS 47 Ca 0.48 -0.58 0.05 0.00 -0.15 0.00 0.00 55.06 54.86 1ag0 s HIS 47 Cb -0.08 -1.84 -0.03 0.00 1.11 0.00 0.00 32.58 31.74 1ag0 s HIS 47 CO 0.30 -0.17 0.23 0.54 -0.85 0.00 0.00 174.74 174.80 1ag0 s ASN 48 N 0.27 1.49 -0.13 1.40 4.22 -1.26 0.30 114.94 121.22 1ag0 s ASN 48 Ca -0.09 -1.67 -0.01 0.00 -2.14 0.00 0.00 52.86 48.95 1ag0 s ASN 48 Cb -0.15 0.51 0.04 0.00 1.28 0.00 0.00 41.25 42.92 1ag0 s ASN 48 CO 0.05 -1.00 -0.03 0.86 -2.04 0.00 0.00 177.10 174.95 1ag0 s TRP 49 N -3.57 1.22 0.02 1.54 -0.00 -1.26 -4.34 118.94 112.55 1ag0 s TRP 49 Ca 0.39 -0.67 0.08 0.00 -0.00 0.00 0.00 56.10 55.90 1ag0 s TRP 49 Cb 0.03 -1.09 -0.02 0.00 -0.00 0.00 0.00 33.47 32.39 1ag0 s TRP 49 CO 0.23 -0.50 -0.25 0.08 -0.00 0.00 0.00 176.95 176.51 1ag0 s VAL 50 N 1.79 1.99 0.09 5.86 1.01 0.32 0.15 120.40 131.62 1ag0 s VAL 50 Ca 0.03 -1.22 0.08 0.00 0.00 0.00 0.00 61.98 60.87 1ag0 s VAL 50 Cb -0.14 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 1ag0 s VAL 50 CO -0.07 0.42 -0.14 -0.22 0.00 0.00 0.00 175.10 175.09 1ag0 s LEU 51 N -0.95 2.85 0.00 3.92 0.20 0.11 -0.78 118.68 124.04 1ag0 s LEU 51 Ca 0.10 -0.45 0.00 0.00 0.69 0.00 0.00 54.13 54.48 1ag0 s LEU 51 Cb -0.10 -1.67 0.00 0.00 -0.43 0.00 0.00 46.19 43.99 1ag0 s LEU 51 CO 0.01 0.20 0.00 -1.54 -0.29 0.00 0.00 176.35 174.72 1ag0 n SER 52 N 0.91 0.00 -4.77 3.68 3.41 -0.89 -2.12 113.62 113.83 1ag0 n SER 52 Ca -0.15 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.16 1ag0 n SER 52 Cb 0.52 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.58 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 3.01 0.24 6.66 -4.23 -1.26 -0.39 115.64 117.68 1ag0 s THR 53 Ca 0.00 0.33 -0.04 0.00 -1.18 0.00 0.00 61.69 60.80 1ag0 s THR 53 Cb 0.00 -2.97 0.10 0.00 1.34 0.00 0.00 72.50 70.97 1ag0 s THR 53 CO 0.00 -0.43 1.73 0.00 -0.54 0.00 0.00 174.62 175.39 1ag0 h ALA 54 N -1.22 1.04 -0.95 3.99 0.00 -1.80 -2.08 119.26 118.25 1ag0 h ALA 54 Ca -0.47 -0.27 0.19 0.00 0.00 0.00 0.00 54.91 54.35 1ag0 h ALA 54 Cb 1.27 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.77 1ag0 h ALA 54 CO 0.57 0.60 0.61 0.00 0.00 0.00 0.00 179.25 181.02 1ag0 h ALA 55 N 1.20 1.94 -0.02 0.00 0.00 -1.92 -1.09 119.26 119.37 1ag0 h ALA 55 Ca 0.16 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1ag0 h ALA 55 Cb 0.47 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ag0 h ALA 55 CO 0.02 -0.26 -0.16 -0.25 0.00 0.00 0.00 179.25 178.61 1ag0 n ASP 56 N -4.61 2.55 -0.26 0.00 8.00 -1.10 -4.44 116.55 116.69 1ag0 n ASP 56 Ca 0.21 -1.78 0.22 0.00 0.71 0.00 0.00 54.79 54.15 1ag0 n ASP 56 Cb 0.62 0.17 0.54 0.00 -0.02 0.00 0.00 41.12 42.42 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 3.68 0.34 0.00 -1.24 1.85 -0.48 -2.57 114.93 116.50 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 0.86 -0.08 0.00 0.00 0.43 0.00 0.00 31.60 32.81 1ag0 h MET 57 CO 0.00 0.22 0.00 0.94 -0.40 0.00 0.00 176.91 177.67 1ag0 n GLN 58 N -4.50 0.00 -0.23 0.39 -0.06 -1.26 -2.97 117.38 108.74 1ag0 n GLN 58 Ca 0.21 0.44 -0.11 0.00 -2.00 0.00 0.00 57.00 55.54 1ag0 n GLN 58 Cb 0.80 -1.20 -0.09 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 -1.07 -0.83 1.69 0.00 -1.83 0.40 103.07 101.42 1ag0 h GLY 59 Ca 0.00 0.78 0.34 0.00 0.00 0.00 0.00 47.33 48.44 1ag0 h GLY 59 CO 0.00 -0.13 0.37 -2.08 0.00 0.00 0.00 176.54 174.70 1ag0 h VAL 60 N -0.21 0.10 -0.40 4.60 2.07 -1.63 0.74 116.25 121.52 1ag0 h VAL 60 Ca 0.10 -0.03 -0.10 0.00 0.82 0.00 0.00 66.70 67.48 1ag0 h VAL 60 Cb 0.47 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1ag0 h VAL 60 CO -0.67 0.02 -0.15 0.58 0.02 0.00 0.00 177.57 177.37 1ag0 h VAL 61 N 0.09 1.28 0.27 2.57 2.07 -0.18 -1.79 116.25 120.55 1ag0 h VAL 61 Ca 0.72 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 1ag0 h VAL 61 Cb 1.72 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 1ag0 h VAL 61 CO -0.77 0.43 -0.13 0.74 0.02 0.00 0.00 177.57 177.86 1ag0 h THR 62 N 0.63 0.00 -0.90 2.57 2.02 0.20 -2.18 112.91 115.26 1ag0 h THR 62 Ca 0.10 -0.10 0.26 0.00 0.77 0.00 0.00 66.41 67.44 1ag0 h THR 62 Cb 0.70 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 1ag0 h THR 62 CO 0.05 0.00 0.74 0.44 0.37 0.00 0.00 175.52 177.12 1ag0 h ASP 63 N -0.46 0.00 0.76 4.18 5.19 -0.92 1.67 116.42 126.83 1ag0 h ASP 63 Ca -0.04 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.26 1ag0 h ASP 63 Cb 0.28 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.77 1ag0 h ASP 63 CO 0.06 0.00 -0.52 1.23 -3.12 0.00 0.00 179.24 176.89 1ag0 h GLY 64 N 0.00 0.00 0.92 2.75 0.00 -1.21 -2.02 103.07 103.51 1ag0 h GLY 64 Ca 0.43 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.58 1ag0 h GLY 64 CO -0.00 0.00 -0.66 1.98 0.00 0.00 0.00 176.54 177.86 1ag0 h MET 65 N 0.00 0.53 -0.31 4.80 4.05 0.31 -3.28 114.93 121.02 1ag0 h MET 65 Ca -0.01 -0.51 0.04 0.00 -0.28 0.00 0.00 59.70 58.95 1ag0 h MET 65 Cb 1.04 0.13 -0.07 0.00 -0.80 0.00 0.00 31.60 31.89 1ag0 h MET 65 CO 0.07 1.14 -0.55 0.00 0.23 0.00 0.00 176.91 177.80 1ag0 h ALA 66 N 0.40 -0.82 -3.00 0.39 0.00 -0.74 -3.40 119.26 112.09 1ag0 h ALA 66 Ca -0.07 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.53 1ag0 h ALA 66 Cb 1.33 1.09 0.17 0.00 0.00 0.00 0.00 17.79 20.37 1ag0 h ALA 66 CO 0.13 -1.06 -0.11 0.43 0.00 0.00 0.00 179.25 178.64 1ag0 n SER 67 N -5.35 -3.52 -1.18 0.00 7.64 -0.79 -5.04 113.62 105.38 1ag0 n SER 67 Ca -0.04 -0.72 -0.02 0.00 1.01 0.00 0.00 58.87 59.10 1ag0 n SER 67 Cb 0.35 -0.77 -0.01 0.00 -1.01 0.00 0.00 64.21 62.77 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 -4.36 3.94 0.31 0.23 0.00 -1.26 -4.77 105.19 99.27 1ag0 n GLY 68 Ca 0.11 -1.68 0.24 0.00 0.00 0.00 0.00 46.02 44.69 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 0.17 0.06 0.99 7.94 -1.26 0.24 117.00 125.14 1ag0 n LEU 69 Ca 0.01 1.58 0.11 0.00 -1.11 0.00 0.00 56.01 56.60 1ag0 n LEU 69 Cb 0.05 -0.70 0.44 0.00 0.53 0.00 0.00 43.42 43.74 1ag0 n LEU 69 CO 0.02 -1.71 0.84 -0.90 -1.11 0.00 0.00 177.39 174.53 1ag0 n ASP 70 N -5.24 0.38 -0.86 1.96 5.75 -1.26 -2.15 116.55 115.12 1ag0 n ASP 70 Ca 0.31 0.57 0.09 0.00 -0.01 0.00 0.00 54.79 55.75 1ag0 n ASP 70 Cb 1.04 -0.66 0.14 0.00 -1.03 0.00 0.00 41.12 40.61 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 -1.89 2.03 -1.46 0.11 3.00 0.66 -4.92 118.16 115.69 1ag0 n LYS 71 Ca 0.04 -1.91 -0.12 0.00 -0.00 0.00 0.00 58.31 56.32 1ag0 n LYS 71 Cb 0.27 -1.39 -0.04 0.00 0.00 0.00 0.00 35.03 33.86 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 1.10 -4.31 -3.50 3.14 9.92 -0.86 -2.43 116.55 119.61 1ag0 n ASP 72 Ca 0.14 0.25 -0.26 0.00 -0.53 0.00 0.00 54.79 54.39 1ag0 n ASP 72 Cb 0.49 -2.92 0.02 0.00 -0.64 0.00 0.00 41.12 38.07 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 -2.85 -2.09 -3.94 1.24 4.01 -0.95 -4.69 117.16 107.90 1ag0 n TYR 73 Ca -0.12 0.68 -0.20 0.00 -0.16 0.00 0.00 57.90 58.10 1ag0 n TYR 73 Cb 0.41 -3.83 -0.17 0.00 -0.31 0.00 0.00 39.34 35.45 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 -6.89 0.98 0.38 7.72 0.20 -1.02 -4.32 118.68 115.74 1ag0 s LEU 74 Ca 0.49 -0.07 -0.28 0.00 0.69 0.00 0.00 54.13 54.96 1ag0 s LEU 74 Cb -0.24 -0.36 -0.11 0.00 -0.43 0.00 0.00 46.19 45.05 1ag0 s LEU 74 CO 0.60 -0.12 1.46 -0.75 -0.29 0.00 0.00 176.35 177.25 1ag0 s LYS 75 N 1.36 4.07 0.34 1.98 2.20 -1.26 -4.86 119.74 123.57 1ag0 s LYS 75 Ca -0.05 2.52 -0.27 0.00 -0.36 0.00 0.00 55.97 57.82 1ag0 s LYS 75 Cb -0.13 -2.93 -0.09 0.00 -1.51 0.00 0.00 37.83 33.16 1ag0 s LYS 75 CO -0.02 -0.54 1.06 -2.14 -0.36 0.00 0.00 175.35 173.34 1ag0 s PRO 76 N -2.12 4.42 -1.25 4.03 0.02 -1.26 -3.69 135.00 135.14 1ag0 s PRO 76 Ca 0.54 1.62 -0.03 0.00 0.02 0.00 0.00 61.00 63.15 1ag0 s PRO 76 Cb -0.46 -2.86 0.00 0.00 0.02 0.00 0.00 34.50 31.21 1ag0 s PRO 76 CO 0.61 0.06 1.06 -0.25 -0.33 0.00 0.00 177.00 178.15 1ag0 n ASP 77 N 0.56 -3.57 -4.43 2.53 8.00 -1.26 -4.96 116.55 113.42 1ag0 n ASP 77 Ca 0.02 -0.59 -0.44 0.00 0.71 0.00 0.00 54.79 54.49 1ag0 n ASP 77 Cb 0.47 -5.06 -0.05 0.00 -0.02 0.00 0.00 41.12 36.47 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 -3.99 6.20 0.00 -2.24 -1.08 -1.24 -4.89 116.67 109.44 1ag0 s ASP 78 Ca 0.21 -1.07 0.18 0.00 -0.52 0.00 0.00 52.55 51.35 1ag0 s ASP 78 Cb -0.09 -2.35 0.82 0.00 -1.46 0.00 0.00 42.92 39.83 1ag0 s ASP 78 CO 0.72 -1.19 1.57 -1.54 0.52 0.00 0.00 175.17 175.25 1ag0 n SER 79 N 6.88 0.00 0.15 -0.34 3.41 -1.26 -2.68 113.62 119.78 1ag0 n SER 79 Ca -0.06 0.36 0.01 0.00 -0.26 0.00 0.00 58.87 58.92 1ag0 n SER 79 Cb 0.44 -0.44 0.20 0.00 -0.26 0.00 0.00 64.21 64.16 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 -5.80 4.33 -0.00 -1.97 -3.43 114.38 107.51 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 0.27 0.00 -0.08 0.00 0.00 0.00 0.00 29.97 30.16 1ag0 h ARG 80 CO 0.00 0.55 0.08 0.54 0.00 0.00 0.00 179.97 181.14 1ag0 s VAL 81 N -3.52 5.05 0.07 2.04 0.11 -1.09 -4.50 120.40 118.56 1ag0 s VAL 81 Ca -0.00 1.25 0.04 0.00 -2.93 0.00 0.00 61.98 60.33 1ag0 s VAL 81 Cb 0.12 -3.96 -0.24 0.00 -1.53 0.00 0.00 36.38 30.77 1ag0 s VAL 81 CO 0.74 0.18 1.12 0.40 -3.33 0.00 0.00 175.10 174.21 1ag0 h ILE 82 N 4.98 1.49 -2.04 7.04 2.04 -1.70 -3.48 117.51 125.84 1ag0 h ILE 82 Ca -0.36 -3.18 0.07 0.00 1.00 0.00 0.00 64.86 62.39 1ag0 h ILE 82 Cb 1.16 2.81 -0.18 0.00 -0.74 0.00 0.00 36.82 39.87 1ag0 h ILE 82 CO 0.77 0.88 0.45 0.00 0.00 0.00 0.00 178.15 180.25 1ag0 s ALA 83 N -2.67 -1.84 -0.08 1.87 0.00 -1.24 -5.01 121.76 112.79 1ag0 s ALA 83 Ca -0.02 1.22 -0.30 0.00 0.00 0.00 0.00 51.96 52.86 1ag0 s ALA 83 Cb 0.09 0.00 0.10 0.00 0.00 0.00 0.00 23.12 23.31 1ag0 s ALA 83 CO 0.84 -0.52 0.82 -3.38 0.00 0.00 0.00 175.76 173.53 1ag0 s HIS 84 N -2.20 -0.51 0.25 0.00 -3.43 -1.26 0.08 115.29 108.22 1ag0 s HIS 84 Ca 0.00 0.83 -0.01 0.00 -0.80 0.00 0.00 55.06 55.08 1ag0 s HIS 84 Cb -0.01 0.44 0.05 0.00 -1.43 0.00 0.00 32.58 31.64 1ag0 s HIS 84 CO -0.03 -0.50 0.34 -2.37 -2.00 0.00 0.00 174.74 170.18 1ag0 n THR 85 N 0.71 0.00 -4.57 -5.38 5.66 0.12 -4.80 114.28 106.02 1ag0 n THR 85 Ca -0.15 -0.49 -0.32 0.00 -3.05 0.00 0.00 64.05 60.04 1ag0 n THR 85 Cb 0.58 -1.30 -0.11 0.00 -1.55 0.00 0.00 70.33 67.95 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 -3.36 2.54 0.02 1.09 -2.85 -1.26 -4.67 119.74 111.25 1ag0 s LYS 86 Ca 0.22 -0.71 -0.34 0.00 -1.00 0.00 0.00 55.97 54.15 1ag0 s LYS 86 Cb -0.01 -2.47 -0.12 0.00 -2.06 0.00 0.00 37.83 33.16 1ag0 s LYS 86 CO 0.15 0.61 1.78 -0.11 0.10 0.00 0.00 175.35 177.88 1ag0 n LEU 87 N 1.79 3.41 -4.36 2.77 7.94 -1.26 -4.65 117.00 122.64 1ag0 n LEU 87 Ca -0.16 1.01 -0.20 0.00 -1.11 0.00 0.00 56.01 55.54 1ag0 n LEU 87 Cb 0.53 -1.41 -0.10 0.00 0.53 0.00 0.00 43.42 42.96 1ag0 n LEU 87 CO 0.29 -0.10 -0.46 0.27 -1.11 0.00 0.00 177.39 176.27 1ag0 s ILE 88 N 2.89 1.90 0.39 1.96 -4.36 0.15 -4.90 121.20 119.23 1ag0 s ILE 88 Ca 0.87 -2.16 0.08 0.00 -0.26 0.00 0.00 60.65 59.18 1ag0 s ILE 88 Cb -0.66 -2.03 -0.05 0.00 1.25 0.00 0.00 42.46 40.98 1ag0 s ILE 88 CO 0.45 -0.47 0.17 -0.83 0.24 0.00 0.00 174.94 174.50 1ag0 s GLY 89 N -3.15 2.21 0.21 6.27 0.00 -1.26 -1.16 107.32 110.44 1ag0 s GLY 89 Ca 0.22 -2.02 -0.29 0.00 0.00 0.00 0.00 44.72 42.63 1ag0 s GLY 89 CO 0.08 -1.86 0.65 -1.26 0.00 0.00 0.00 173.10 170.71 1ag0 n SER 90 N -1.21 -0.65 0.00 1.64 2.88 -1.01 -1.30 113.62 113.96 1ag0 n SER 90 Ca -0.01 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 1ag0 n SER 90 Cb 0.63 -1.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.07 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 3.14 3.94 0.46 0.00 -0.00 -4.92 105.19 109.64 1ag0 n GLY 91 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.40 2.12 0.16 1.61 2.02 -0.42 -4.86 118.70 118.92 1ag0 s GLU 92 Ca 0.00 -0.34 -0.14 0.00 0.02 0.00 0.00 54.97 54.51 1ag0 s GLU 92 Cb 0.00 -2.18 0.02 0.00 0.10 0.00 0.00 34.13 32.06 1ag0 s GLU 92 CO 0.00 -1.27 0.40 0.15 0.02 0.00 0.00 175.26 174.56 1ag0 s LYS 93 N -5.24 1.18 0.06 1.61 1.02 -1.26 -1.63 119.74 115.48 1ag0 s LYS 93 Ca 0.61 -0.90 -0.27 0.00 0.02 0.00 0.00 55.97 55.43 1ag0 s LYS 93 Cb -0.10 0.45 0.09 0.00 -0.52 0.00 0.00 37.83 37.75 1ag0 s LYS 93 CO 0.45 -0.46 0.89 0.34 -0.92 0.00 0.00 175.35 175.65 1ag0 s ASP 94 N -2.87 -0.31 -0.19 2.83 2.15 0.23 -4.96 116.67 113.55 1ag0 s ASP 94 Ca 0.09 -0.14 -0.17 0.00 0.43 0.00 0.00 52.55 52.76 1ag0 s ASP 94 Cb 0.01 0.43 0.05 0.00 -0.30 0.00 0.00 42.92 43.12 1ag0 s ASP 94 CO -0.06 -0.74 0.50 -0.44 -0.17 0.00 0.00 175.17 174.27 1ag0 s SER 95 N -2.65 -0.53 -0.03 -0.34 0.01 -1.26 0.17 113.70 109.07 1ag0 s SER 95 Ca 0.07 1.01 0.07 0.00 1.31 0.00 0.00 55.95 58.42 1ag0 s SER 95 Cb -0.01 1.02 -0.02 0.00 0.21 0.00 0.00 66.02 67.22 1ag0 s SER 95 CO -0.05 -0.18 -0.25 0.54 0.41 0.00 0.00 173.24 173.71 1ag0 s VAL 96 N 0.33 1.98 -0.29 3.43 0.11 -0.69 -4.95 120.40 120.31 1ag0 s VAL 96 Ca -0.00 -1.05 0.02 0.00 -2.93 0.00 0.00 61.98 58.01 1ag0 s VAL 96 Cb -0.04 -1.65 0.07 0.00 -1.53 0.00 0.00 36.38 33.23 1ag0 s VAL 96 CO -0.00 0.56 -0.03 -0.89 -3.33 0.00 0.00 175.10 171.40 1ag0 s THR 97 N -0.42 2.43 0.36 5.04 2.01 -1.26 -1.63 115.64 122.17 1ag0 s THR 97 Ca 0.05 -1.77 0.08 0.00 0.31 0.00 0.00 61.69 60.35 1ag0 s THR 97 Cb -0.11 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.84 1ag0 s THR 97 CO 0.01 -0.21 0.22 0.72 -0.69 0.00 0.00 174.62 174.67 1ag0 s PHE 98 N 1.09 2.74 -0.07 4.92 -0.71 -0.46 -4.89 117.98 120.61 1ag0 s PHE 98 Ca -0.03 -0.40 -0.24 0.00 -1.04 0.00 0.00 56.93 55.22 1ag0 s PHE 98 Cb -0.20 -1.80 -0.04 0.00 -1.21 0.00 0.00 43.02 39.77 1ag0 s PHE 98 CO -0.05 0.21 0.71 -0.51 -1.34 0.00 0.00 175.22 174.24 1ag0 s ASP 99 N -3.93 6.99 0.00 1.98 1.01 -1.26 -0.86 116.67 120.59 1ag0 s ASP 99 Ca 0.41 1.20 0.14 0.00 0.71 0.00 0.00 52.55 55.00 1ag0 s ASP 99 Cb -0.03 -2.42 0.84 0.00 1.01 0.00 0.00 42.92 42.33 1ag0 s ASP 99 CO 0.24 -0.14 1.26 1.33 0.21 0.00 0.00 175.17 178.08 1ag0 n VAL 100 N 3.84 0.00 0.64 -1.27 0.24 -1.04 -1.61 118.33 119.13 1ag0 n VAL 100 Ca -0.01 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.42 1ag0 n VAL 100 Cb 0.51 -0.71 0.37 0.00 -1.47 0.00 0.00 33.84 32.54 1ag0 n VAL 100 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1ag0 n SER 101 N -0.95 0.74 0.19 -1.34 7.64 -1.26 -2.85 113.62 115.79 1ag0 n SER 101 Ca 0.11 0.47 0.08 0.00 1.01 0.00 0.00 58.87 60.53 1ag0 n SER 101 Cb 0.05 -0.57 0.19 0.00 -1.01 0.00 0.00 64.21 62.87 1ag0 n SER 101 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1ag0 h LYS 102 N 0.00 0.00 -7.14 1.43 1.57 -1.70 -3.44 116.57 107.29 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 0.72 0.00 0.05 0.00 0.08 0.00 0.00 32.23 33.09 1ag0 h LYS 102 CO 0.00 0.24 0.22 -0.51 -0.57 0.00 0.00 179.45 178.83 1ag0 s LEU 103 N -6.40 3.32 0.01 2.94 1.02 -1.13 -5.10 118.68 113.34 1ag0 s LEU 103 Ca 0.04 0.94 0.00 0.00 0.02 0.00 0.00 54.13 55.14 1ag0 s LEU 103 Cb 0.07 -3.84 -0.01 0.00 0.02 0.00 0.00 46.19 42.43 1ag0 s LEU 103 CO 0.69 -0.91 -0.02 -0.54 0.02 0.00 0.00 176.35 175.59 1ag0 s LYS 104 N -4.98 0.19 0.30 1.70 1.02 -1.26 -5.03 119.74 111.67 1ag0 s LYS 104 Ca 0.52 -0.29 -0.29 0.00 0.02 0.00 0.00 55.97 55.93 1ag0 s LYS 104 Cb -0.11 -0.02 -0.09 0.00 -0.52 0.00 0.00 37.83 37.09 1ag0 s LYS 104 CO 0.47 -0.00 1.10 -1.21 -0.92 0.00 0.00 175.35 174.79 1ag0 s GLU 105 N -0.66 4.57 0.00 1.68 8.01 -1.26 -3.32 118.70 127.72 1ag0 s GLU 105 Ca -0.06 1.80 0.00 0.00 0.01 0.00 0.00 54.97 56.71 1ag0 s GLU 105 Cb -0.05 -3.12 0.00 0.00 -4.31 0.00 0.00 34.13 26.66 1ag0 s GLU 105 CO -0.00 0.15 0.00 0.41 0.01 0.00 0.00 175.26 175.83 1ag0 n GLY 106 N 1.09 2.71 3.76 -1.39 0.00 -1.26 -5.02 105.19 105.08 1ag0 n GLY 106 Ca -0.00 -0.71 -0.39 0.00 0.00 0.00 0.00 46.02 44.92 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 4.60 -0.27 1.61 2.12 -1.21 -5.04 118.70 120.51 1ag0 s GLU 107 Ca 0.00 1.60 -0.10 0.00 0.36 0.00 0.00 54.97 56.82 1ag0 s GLU 107 Cb 0.00 -3.03 -0.05 0.00 0.26 0.00 0.00 34.13 31.31 1ag0 s GLU 107 CO 0.00 0.24 0.16 -1.14 -0.54 0.00 0.00 175.26 173.98 1ag0 s GLN 108 N -1.66 3.91 0.36 4.30 -0.44 -1.26 -4.84 119.66 120.02 1ag0 s GLN 108 Ca 0.47 -0.34 0.08 0.00 -2.50 0.00 0.00 55.36 53.06 1ag0 s GLN 108 Cb -0.27 -3.58 -0.03 0.00 -1.64 0.00 0.00 33.01 27.50 1ag0 s GLN 108 CO 0.34 -0.15 0.30 0.71 0.50 0.00 0.00 175.29 177.00 1ag0 s TYR 109 N 1.63 2.84 -0.08 1.67 2.02 -1.25 -2.68 117.35 121.50 1ag0 s TYR 109 Ca 0.07 -0.36 -0.10 0.00 -0.37 0.00 0.00 57.07 56.31 1ag0 s TYR 109 Cb -0.15 -1.89 0.02 0.00 -0.40 0.00 0.00 41.96 39.54 1ag0 s TYR 109 CO 0.09 0.11 0.26 -1.64 -1.57 0.00 0.00 175.55 172.80 1ag0 s MET 110 N -4.02 0.38 0.16 -0.62 -1.94 0.48 -2.52 119.30 111.22 1ag0 s MET 110 Ca 0.43 0.20 0.07 0.00 -1.71 0.00 0.00 55.69 54.68 1ag0 s MET 110 Cb -0.05 0.18 -0.04 0.00 2.01 0.00 0.00 34.83 36.93 1ag0 s MET 110 CO 0.27 -0.07 -0.02 -0.59 -0.01 0.00 0.00 175.02 174.60 1ag0 s PHE 111 N -0.23 2.83 0.04 -0.03 -0.12 -1.10 -2.10 117.98 117.26 1ag0 s PHE 111 Ca -0.04 -0.14 -0.02 0.00 -0.05 0.00 0.00 56.93 56.69 1ag0 s PHE 111 Cb -0.03 -1.39 0.01 0.00 -0.63 0.00 0.00 43.02 40.98 1ag0 s PHE 111 CO 0.01 0.51 0.10 1.97 -0.05 0.00 0.00 175.22 177.76 1ag0 n PHE 112 N 0.02 -1.01 -4.67 3.49 -1.74 0.04 -1.57 117.46 112.03 1ag0 n PHE 112 Ca -0.10 -0.20 -0.29 0.00 -0.56 0.00 0.00 57.45 56.30 1ag0 n PHE 112 Cb 0.55 0.10 -0.17 0.00 1.52 0.00 0.00 39.48 41.48 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 -1.25 2.57 0.01 5.98 -1.08 -1.05 -0.52 116.67 121.32 1ag0 s ASP 113 Ca 0.02 -0.46 0.25 0.00 -0.52 0.00 0.00 52.55 51.84 1ag0 s ASP 113 Cb -0.00 -1.17 0.59 0.00 -1.46 0.00 0.00 42.92 40.88 1ag0 s ASP 113 CO 0.01 0.06 1.48 0.35 0.52 0.00 0.00 175.17 177.59 1ag0 n THR 114 N 3.97 0.03 -1.69 1.71 -2.24 -1.26 -3.12 114.28 111.69 1ag0 n THR 114 Ca -0.20 -0.03 -0.43 0.00 -2.27 0.00 0.00 64.05 61.12 1ag0 n THR 114 Cb 0.52 0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.85 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 -1.56 2.22 -1.61 4.78 -0.00 -1.26 -4.43 117.46 115.60 1ag0 n PHE 115 Ca 0.05 0.50 -0.49 0.00 -0.00 0.00 0.00 57.45 57.51 1ag0 n PHE 115 Cb 0.35 -2.43 -0.05 0.00 -0.00 0.00 0.00 39.48 37.34 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 1.22 1.43 -0.93 -7.13 -0.02 -1.26 -2.04 135.00 126.27 1ag0 n PRO 116 Ca 0.08 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1ag0 n PRO 116 Cb 0.34 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 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 2.49 0.56 0.11 -1.23 0.00 -1.26 -4.88 105.19 100.97 1ag0 n GLY 117 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.34 0.42 0.12 1.61 8.25 -0.87 -4.42 115.22 118.00 1ag0 n HIS 118 Ca 0.00 0.13 0.01 0.00 -0.26 0.00 0.00 57.72 57.60 1ag0 n HIS 118 Cb 0.06 -1.07 0.07 0.00 1.12 0.00 0.00 29.99 30.17 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 -3.04 0.00 0.02 0.41 3.41 -1.18 -0.02 113.62 113.22 1ag0 n SER 119 Ca -0.32 0.24 -0.21 0.00 -0.26 0.00 0.00 58.87 58.32 1ag0 n SER 119 Cb 1.08 -0.28 -0.14 0.00 -0.26 0.00 0.00 64.21 64.61 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 2.12 0.41 -0.55 7.33 0.00 -1.90 -3.35 119.26 123.32 1ag0 h ALA 120 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 54.91 53.55 1ag0 h ALA 120 Cb 0.02 0.65 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1ag0 h ALA 120 CO 0.00 1.28 0.00 -0.11 0.00 0.00 0.00 179.25 180.42 1ag0 n LEU 121 N -3.48 3.81 -3.22 0.00 7.94 -0.57 -4.74 117.00 116.74 1ag0 n LEU 121 Ca -0.30 -2.19 -0.20 0.00 -1.11 0.00 0.00 56.01 52.22 1ag0 n LEU 121 Cb 1.05 -0.43 -0.07 0.00 0.53 0.00 0.00 43.42 44.50 1ag0 n LEU 121 CO 0.45 0.84 -0.19 -0.04 -1.11 0.00 0.00 177.39 177.34 1ag0 s MET 122 N -1.34 0.91 0.34 1.96 -1.94 0.98 -4.33 119.30 115.88 1ag0 s MET 122 Ca 0.41 -1.69 -0.07 0.00 -1.71 0.00 0.00 55.69 52.62 1ag0 s MET 122 Cb 0.24 -0.98 0.01 0.00 2.01 0.00 0.00 34.83 36.11 1ag0 s MET 122 CO 0.24 -1.35 0.54 -1.59 -0.01 0.00 0.00 175.02 172.85 1ag0 s LYS 123 N 0.43 1.94 -0.02 2.03 -2.85 -1.26 -2.54 119.74 117.46 1ag0 s LYS 123 Ca 0.30 -1.63 -0.08 0.00 -1.00 0.00 0.00 55.97 53.57 1ag0 s LYS 123 Cb 0.00 0.49 0.03 0.00 -2.06 0.00 0.00 37.83 36.29 1ag0 s LYS 123 CO -0.14 -0.83 0.36 0.41 0.10 0.00 0.00 175.35 175.26 1ag0 n GLY 124 N -0.53 0.34 3.28 0.59 0.00 -0.61 -4.78 105.19 103.48 1ag0 n GLY 124 Ca -0.01 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.02 1.88 -0.15 2.61 -4.23 -0.99 -2.71 115.64 110.03 1ag0 s THR 125 Ca 0.09 -1.08 -0.03 0.00 -1.18 0.00 0.00 61.69 59.49 1ag0 s THR 125 Cb -0.00 -1.58 -0.02 0.00 1.34 0.00 0.00 72.50 72.24 1ag0 s THR 125 CO -0.01 0.47 -0.06 -0.22 -0.54 0.00 0.00 174.62 174.26 1ag0 s LEU 126 N -0.72 3.09 -0.12 4.79 0.20 -1.05 -0.24 118.68 124.63 1ag0 s LEU 126 Ca 0.09 -0.19 0.03 0.00 0.69 0.00 0.00 54.13 54.75 1ag0 s LEU 126 Cb -0.09 -1.73 0.00 0.00 -0.43 0.00 0.00 46.19 43.94 1ag0 s LEU 126 CO -0.00 0.17 -0.21 -0.89 -0.29 0.00 0.00 176.35 175.13 1ag0 s THR 127 N 0.37 2.26 -0.72 3.68 2.01 0.59 -3.78 115.64 120.05 1ag0 s THR 127 Ca -0.06 -0.93 -0.15 0.00 0.31 0.00 0.00 61.69 60.86 1ag0 s THR 127 Cb -0.15 -1.90 0.18 0.00 0.01 0.00 0.00 72.50 70.64 1ag0 s THR 127 CO 0.04 0.55 0.69 -0.22 -0.69 0.00 0.00 174.62 174.98 1ag0 s LEU 128 N 0.54 6.38 0.00 4.42 2.96 -1.26 0.26 118.68 131.98 1ag0 s LEU 128 Ca -0.13 -2.26 0.00 0.00 -0.22 0.00 0.00 54.13 51.53 1ag0 s LEU 128 Cb -0.17 -2.23 0.00 0.00 0.50 0.00 0.00 46.19 44.30 1ag0 s LEU 128 CO 0.04 -0.74 0.00 2.29 -1.32 0.00 0.00 176.35 176.63