#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dxm s ASN 2 N 0.00 7.41 -0.20 6.43 -0.87 -1.26 -4.98 114.94 121.46 1dxm s ASN 2 Ca 0.00 2.07 -0.04 0.00 -1.57 0.00 0.00 52.86 53.32 1dxm s ASN 2 Cb 0.00 -2.61 0.07 0.00 -0.02 0.00 0.00 41.25 38.69 1dxm s ASN 2 CO 0.00 -0.03 0.07 -0.69 -2.57 0.00 0.00 177.10 173.88 1dxm s VAL 3 N -1.25 0.25 0.34 1.60 1.01 -1.26 -4.42 120.40 116.67 1dxm s VAL 3 Ca 0.44 -0.48 -0.28 0.00 0.00 0.00 0.00 61.98 61.67 1dxm s VAL 3 Cb -0.27 -0.89 -0.10 0.00 0.00 0.00 0.00 36.38 35.12 1dxm s VAL 3 CO 0.34 -0.32 1.23 -0.76 0.00 0.00 0.00 175.10 175.59 1dxm s LEU 4 N 1.98 4.38 0.33 3.92 1.02 -1.26 -4.98 118.68 124.07 1dxm s LEU 4 Ca 0.02 2.51 0.13 0.00 0.02 0.00 0.00 54.13 56.81 1dxm s LEU 4 Cb -0.17 -3.76 0.56 0.00 0.02 0.00 0.00 46.19 42.85 1dxm s LEU 4 CO -0.13 -0.51 1.72 0.44 0.02 0.00 0.00 176.35 177.90 1dxm h ASP 5 N 3.24 0.00 -0.22 2.29 3.45 -2.00 -3.27 116.42 119.91 1dxm h ASP 5 Ca -0.48 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.98 1dxm h ASP 5 Cb 1.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.00 1dxm h ASP 5 CO 0.65 0.48 0.00 0.61 -1.57 0.00 0.00 179.24 179.41 1dxm n GLY 6 N -0.06 0.51 3.82 2.75 0.00 -1.26 -4.66 105.19 106.30 1dxm n GLY 6 Ca -0.01 -0.46 -0.27 0.00 0.00 0.00 0.00 46.02 45.28 1dxm n GLY 6 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dxm s LEU 7 N -1.49 3.90 0.16 0.99 1.43 -1.23 -4.78 118.68 117.65 1dxm s LEU 7 Ca 0.32 -0.06 0.05 0.00 -1.03 0.00 0.00 54.13 53.41 1dxm s LEU 7 Cb 0.18 -2.51 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 1dxm s LEU 7 CO 0.26 0.08 0.16 -0.54 0.23 0.00 0.00 176.35 176.54 1dxm s LYS 8 N -3.02 2.98 0.06 1.70 -0.14 -1.07 -3.99 119.74 116.26 1dxm s LYS 8 Ca 0.31 -0.83 0.05 0.00 -1.36 0.00 0.00 55.97 54.14 1dxm s LYS 8 Cb -0.11 -2.69 -0.03 0.00 -1.68 0.00 0.00 37.83 33.33 1dxm s LYS 8 CO 0.24 0.49 -0.13 0.71 -0.76 0.00 0.00 175.35 175.89 1dxm s TYR 9 N -1.75 1.16 -0.11 3.18 1.51 0.18 -1.37 117.35 120.15 1dxm s TYR 9 Ca 0.31 -0.42 -0.06 0.00 -1.01 0.00 0.00 57.07 55.89 1dxm s TYR 9 Cb -0.10 -0.67 -0.04 0.00 -0.11 0.00 0.00 41.96 41.04 1dxm s TYR 9 CO 0.24 0.04 0.12 0.00 -1.11 0.00 0.00 175.55 174.84 1dxm s ALA 10 N -1.13 3.80 0.64 3.71 0.00 -0.33 0.51 121.76 128.97 1dxm s ALA 10 Ca -0.01 -0.67 0.32 0.00 0.00 0.00 0.00 51.96 51.59 1dxm s ALA 10 Cb -0.09 -1.89 1.76 0.00 0.00 0.00 0.00 23.12 22.90 1dxm s ALA 10 CO 0.02 0.63 2.04 -1.00 0.00 0.00 0.00 175.76 177.44 1dxm h PRO 11 N 4.90 0.00 0.00 0.00 0.13 -1.97 0.23 132.00 135.29 1dxm h PRO 11 Ca -0.54 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1dxm h PRO 11 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1dxm h PRO 11 CO 0.58 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.22 1dxm n SER 12 N -3.22 0.00 -1.41 1.44 3.41 -1.26 -4.86 113.62 107.72 1dxm n SER 12 Ca -0.00 -1.49 -0.09 0.00 -0.26 0.00 0.00 58.87 57.03 1dxm n SER 12 Cb 0.35 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.32 1dxm n SER 12 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1dxm n HIS 13 N -0.57 -0.84 -4.30 7.33 8.25 0.82 -4.93 115.22 120.98 1dxm n HIS 13 Ca 0.03 0.24 -0.30 0.00 -0.26 0.00 0.00 57.72 57.42 1dxm n HIS 13 Cb 0.01 -2.42 -0.10 0.00 1.12 0.00 0.00 29.99 28.60 1dxm n HIS 13 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1dxm s GLU 14 N -5.08 2.25 0.26 -0.41 8.01 -1.23 -1.87 118.70 120.64 1dxm s GLU 14 Ca 0.14 -0.94 0.10 0.00 0.01 0.00 0.00 54.97 54.28 1dxm s GLU 14 Cb -0.06 -2.36 -0.04 0.00 -4.31 0.00 0.00 34.13 27.36 1dxm s GLU 14 CO 0.17 0.53 -0.02 1.67 0.01 0.00 0.00 175.26 177.63 1dxm s TRP 15 N -1.16 2.68 -0.06 1.61 1.48 -0.52 -1.18 118.94 121.79 1dxm s TRP 15 Ca 0.20 -0.23 -0.01 0.00 -1.06 0.00 0.00 56.10 55.01 1dxm s TRP 15 Cb -0.11 -1.19 0.03 0.00 -1.16 0.00 0.00 33.47 31.04 1dxm s TRP 15 CO 0.12 0.62 0.00 0.08 -4.06 0.00 0.00 176.95 173.72 1dxm s VAL 16 N -2.32 0.31 -0.38 -0.66 1.01 -0.47 -3.09 120.40 114.81 1dxm s VAL 16 Ca 0.31 0.12 -0.09 0.00 0.00 0.00 0.00 61.98 62.32 1dxm s VAL 16 Cb -0.06 -0.45 0.05 0.00 0.00 0.00 0.00 36.38 35.91 1dxm s VAL 16 CO 0.20 0.23 0.19 -0.75 0.00 0.00 0.00 175.10 174.97 1dxm s LYS 17 N 1.71 2.70 -0.39 2.72 2.20 -0.38 -2.61 119.74 125.70 1dxm s LYS 17 Ca 0.01 -1.22 -0.15 0.00 -0.36 0.00 0.00 55.97 54.25 1dxm s LYS 17 Cb -0.13 -3.67 0.01 0.00 -1.51 0.00 0.00 37.83 32.53 1dxm s LYS 17 CO -0.04 -0.76 0.34 -1.58 -0.36 0.00 0.00 175.35 172.95 1dxm s HIS 18 N 1.48 3.21 -0.08 4.03 5.65 -1.26 -1.01 115.29 127.31 1dxm s HIS 18 Ca 0.01 -0.34 -0.01 0.00 0.25 0.00 0.00 55.06 54.97 1dxm s HIS 18 Cb -0.20 -2.67 0.03 0.00 -1.18 0.00 0.00 32.58 28.55 1dxm s HIS 18 CO 0.04 -0.55 -0.03 -1.21 -0.65 0.00 0.00 174.74 172.34 1dxm s GLU 19 N 1.89 0.95 5.15 2.88 2.02 -0.63 -5.03 118.70 125.93 1dxm s GLU 19 Ca 0.09 -0.05 0.00 0.00 0.02 0.00 0.00 54.97 55.03 1dxm s GLU 19 Cb -0.18 -1.16 0.00 0.00 0.10 0.00 0.00 34.13 32.90 1dxm s GLU 19 CO 0.11 -0.25 0.00 0.41 0.02 0.00 0.00 175.26 175.55 1dxm n GLY 20 N 4.90 2.01 1.72 -1.39 0.00 -1.26 -1.98 105.19 109.20 1dxm n GLY 20 Ca -0.11 -0.55 0.06 0.00 0.00 0.00 0.00 46.02 45.41 1dxm n GLY 20 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1dxm n SER 21 N 1.00 5.12 -4.29 1.61 3.41 -1.26 -4.88 113.62 114.33 1dxm n SER 21 Ca 0.00 -2.82 -0.32 0.00 -0.26 0.00 0.00 58.87 55.47 1dxm n SER 21 Cb 0.00 -0.67 -0.16 0.00 -0.26 0.00 0.00 64.21 63.12 1dxm n SER 21 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1dxm s VAL 22 N -2.54 2.30 -0.11 -3.33 1.01 -0.84 -4.16 120.40 112.74 1dxm s VAL 22 Ca 0.48 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1dxm s VAL 22 Cb 0.36 -1.88 -0.00 0.00 0.00 0.00 0.00 36.38 34.86 1dxm s VAL 22 CO 0.14 0.56 -0.22 0.00 0.00 0.00 0.00 175.10 175.58 1dxm s ALA 23 N 0.04 2.26 -0.17 5.51 0.00 0.56 -1.61 121.76 128.34 1dxm s ALA 23 Ca -0.09 -0.97 -0.08 0.00 0.00 0.00 0.00 51.96 50.83 1dxm s ALA 23 Cb -0.15 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.02 1dxm s ALA 23 CO 0.05 0.24 0.08 0.99 0.00 0.00 0.00 175.76 177.13 1dxm s THR 24 N 0.40 4.95 -0.00 0.00 2.01 -0.18 -0.11 115.64 122.71 1dxm s THR 24 Ca -0.16 0.02 0.08 0.00 0.31 0.00 0.00 61.69 61.93 1dxm s THR 24 Cb -0.17 -3.22 -0.02 0.00 0.01 0.00 0.00 72.50 69.09 1dxm s THR 24 CO 0.07 0.48 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.62 1dxm s ILE 25 N 0.15 2.31 0.27 1.82 1.09 0.01 -1.25 121.20 125.60 1dxm s ILE 25 Ca 0.06 -1.13 -0.07 0.00 -1.10 0.00 0.00 60.65 58.41 1dxm s ILE 25 Cb -0.12 -1.86 0.03 0.00 -1.06 0.00 0.00 42.46 39.45 1dxm s ILE 25 CO 0.00 0.50 0.48 0.61 -0.10 0.00 0.00 174.94 176.44 1dxm n GLY 26 N 2.16 1.65 3.87 6.18 0.00 -1.18 -0.57 105.19 117.30 1dxm n GLY 26 Ca -0.16 -1.30 -0.34 0.00 0.00 0.00 0.00 46.02 44.21 1dxm n GLY 26 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dxm s ILE 27 N -2.48 5.12 0.96 -0.61 1.09 -1.26 -1.44 121.20 122.57 1dxm s ILE 27 Ca 0.14 0.39 -0.14 0.00 -1.10 0.00 0.00 60.65 59.94 1dxm s ILE 27 Cb -0.03 -3.64 0.17 0.00 -1.06 0.00 0.00 42.46 37.91 1dxm s ILE 27 CO 0.10 0.27 1.17 0.42 -0.10 0.00 0.00 174.94 176.80 1dxm s THR 28 N -1.42 1.94 0.17 2.92 -4.23 -0.78 -4.58 115.64 109.67 1dxm s THR 28 Ca 0.33 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.75 1dxm s THR 28 Cb -0.14 -2.77 0.03 0.00 1.34 0.00 0.00 72.50 70.96 1dxm s THR 28 CO 0.18 0.00 1.58 -0.78 -0.54 0.00 0.00 174.62 175.07 1dxm h ASP 29 N -1.66 1.03 -0.35 3.99 -0.00 -1.92 -2.03 116.42 115.47 1dxm h ASP 29 Ca -0.48 -0.36 0.02 0.00 -0.00 0.00 0.00 57.03 56.20 1dxm h ASP 29 Cb 1.31 -0.28 -0.02 0.00 -0.00 0.00 0.00 39.33 40.33 1dxm h ASP 29 CO 0.54 1.16 0.21 -0.74 -0.00 0.00 0.00 179.24 180.40 1dxm h HIS 30 N 0.89 0.39 -0.22 0.28 2.76 -1.93 -1.02 115.15 116.30 1dxm h HIS 30 Ca 0.13 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 1dxm h HIS 30 Cb 0.72 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.55 1dxm h HIS 30 CO 0.05 0.23 0.14 0.00 -1.30 0.00 0.00 177.93 177.05 1dxm h ALA 31 N 1.16 0.28 -0.57 5.26 0.00 -1.79 -1.04 119.26 122.56 1dxm h ALA 31 Ca 0.14 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1dxm h ALA 31 Cb 0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1dxm h ALA 31 CO -0.07 -0.25 -0.02 -0.56 0.00 0.00 0.00 179.25 178.35 1dxm h GLN 32 N 0.29 1.01 -0.34 0.00 -0.00 -1.18 -1.92 115.11 112.97 1dxm h GLN 32 Ca 0.08 -0.32 -0.00 0.00 -0.00 0.00 0.00 58.65 58.40 1dxm h GLN 32 Cb -0.03 -0.09 -0.02 0.00 -0.00 0.00 0.00 27.48 27.34 1dxm h GLN 32 CO -0.02 1.00 0.19 0.22 -0.00 0.00 0.00 178.83 180.22 1dxm h ASP 33 N 0.92 0.42 1.46 0.06 3.58 -0.94 -2.08 116.42 119.84 1dxm h ASP 33 Ca 0.16 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.54 1dxm h ASP 33 Cb 0.56 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.51 1dxm h ASP 33 CO 0.03 0.37 0.00 0.45 -2.88 0.00 0.00 179.24 177.21 1dxm h HIS 34 N 0.43 0.00 0.02 0.28 3.86 -1.12 -3.29 115.15 115.33 1dxm h HIS 34 Ca 0.12 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 59.05 1dxm h HIS 34 Cb 0.04 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.47 1dxm h HIS 34 CO -0.03 0.00 -1.55 1.25 0.86 0.00 0.00 177.93 178.46 1dxm h LEU 35 N 0.00 0.07 0.00 2.43 5.85 -1.04 -3.50 115.31 119.13 1dxm h LEU 35 Ca 0.00 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1dxm h LEU 35 Cb 0.73 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.74 1dxm h LEU 35 CO 0.00 1.11 0.00 0.61 -0.34 0.00 0.00 178.44 179.82 1dxm n GLY 36 N 1.55 0.39 3.68 3.75 0.00 -0.81 -4.22 105.19 109.54 1dxm n GLY 36 Ca -0.14 -1.99 -0.50 0.00 0.00 0.00 0.00 46.02 43.39 1dxm n GLY 36 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1dxm n GLU 37 N 0.36 2.03 -2.49 1.61 2.13 -1.26 -4.86 120.64 118.17 1dxm n GLU 37 Ca 0.00 0.74 -0.42 0.00 0.66 0.00 0.00 57.16 58.14 1dxm n GLU 37 Cb 0.00 -2.58 -0.03 0.00 0.27 0.00 0.00 31.44 29.10 1dxm n GLU 37 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1dxm s VAL 38 N 4.11 4.31 -0.06 6.31 1.01 -1.26 -4.00 120.40 130.81 1dxm s VAL 38 Ca 0.94 1.63 0.13 0.00 0.00 0.00 0.00 61.98 64.68 1dxm s VAL 38 Cb -0.74 -4.05 -0.20 0.00 0.00 0.00 0.00 36.38 31.39 1dxm s VAL 38 CO 0.54 0.02 0.20 1.33 0.00 0.00 0.00 175.10 177.18 1dxm n VAL 39 N 4.51 0.37 -3.83 2.92 0.24 0.21 -3.75 118.33 119.01 1dxm n VAL 39 Ca 0.10 -0.42 -0.12 0.00 -2.04 0.00 0.00 64.34 61.86 1dxm n VAL 39 Cb 0.47 -0.17 -0.12 0.00 -1.47 0.00 0.00 33.84 32.55 1dxm n VAL 39 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1dxm s PHE 40 N -2.71 -0.13 -0.06 6.34 5.36 -0.82 -4.83 117.98 121.13 1dxm s PHE 40 Ca -0.06 0.32 -0.00 0.00 -0.96 0.00 0.00 56.93 56.23 1dxm s PHE 40 Cb 0.07 0.04 0.02 0.00 -0.34 0.00 0.00 43.02 42.81 1dxm s PHE 40 CO 0.57 -0.14 -0.03 0.08 -1.46 0.00 0.00 175.22 174.25 1dxm s VAL 41 N -0.26 0.51 -0.24 3.12 1.01 -1.26 -0.59 120.40 122.69 1dxm s VAL 41 Ca -0.03 -0.03 -0.07 0.00 0.00 0.00 0.00 61.98 61.85 1dxm s VAL 41 Cb -0.03 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 1dxm s VAL 41 CO 0.01 0.26 0.07 -0.70 0.00 0.00 0.00 175.10 174.73 1dxm s GLU 42 N 1.48 3.68 0.28 2.72 2.12 -0.19 -4.77 118.70 124.02 1dxm s GLU 42 Ca -0.02 -0.47 0.11 0.00 0.36 0.00 0.00 54.97 54.95 1dxm s GLU 42 Cb -0.13 -3.30 -0.05 0.00 0.26 0.00 0.00 34.13 30.91 1dxm s GLU 42 CO -0.03 -0.13 -0.14 -0.51 -0.54 0.00 0.00 175.26 173.90 1dxm s LEU 43 N 1.46 2.76 0.00 2.70 1.02 -1.26 -1.63 118.68 123.74 1dxm s LEU 43 Ca 0.06 -0.92 0.00 0.00 0.02 0.00 0.00 54.13 53.29 1dxm s LEU 43 Cb -0.15 -1.28 0.00 0.00 0.02 0.00 0.00 46.19 44.78 1dxm s LEU 43 CO 0.03 0.03 0.00 -2.65 0.02 0.00 0.00 176.35 173.78 1dxm n PRO 44 N -0.70 0.44 -4.35 1.29 -0.02 -1.25 -4.96 135.00 125.45 1dxm n PRO 44 Ca -0.05 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.22 1dxm n PRO 44 Cb 0.60 0.00 -0.13 0.00 -0.02 0.00 0.00 33.50 33.95 1dxm n PRO 44 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1dxm s GLU 45 N -1.32 1.00 0.40 -0.52 2.12 -1.26 -4.97 118.70 114.15 1dxm s GLU 45 Ca 0.00 -0.88 -0.26 0.00 0.36 0.00 0.00 54.97 54.19 1dxm s GLU 45 Cb 0.00 -1.06 -0.09 0.00 0.26 0.00 0.00 34.13 33.24 1dxm s GLU 45 CO 0.00 0.26 1.32 -2.14 -0.54 0.00 0.00 175.26 174.15 1dxm s PRO 46 N -1.38 4.00 0.00 4.30 0.02 -1.26 -2.85 135.00 137.83 1dxm s PRO 46 Ca 0.02 2.19 0.00 0.00 0.02 0.00 0.00 61.00 63.24 1dxm s PRO 46 Cb -0.09 -2.79 0.00 0.00 0.02 0.00 0.00 34.50 31.64 1dxm s PRO 46 CO 0.02 -0.48 0.00 0.41 -0.33 0.00 0.00 177.00 176.62 1dxm n GLY 47 N 0.67 2.73 3.85 0.52 0.00 -0.32 -5.02 105.19 107.62 1dxm n GLY 47 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1dxm n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dxm s VAL 48 N -2.68 4.81 0.33 1.61 1.01 -1.13 -4.84 120.40 119.51 1dxm s VAL 48 Ca 0.00 0.81 -0.02 0.00 0.00 0.00 0.00 61.98 62.77 1dxm s VAL 48 Cb 0.00 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1dxm s VAL 48 CO 0.00 0.09 0.56 -0.94 0.00 0.00 0.00 175.10 174.81 1dxm s SER 49 N -1.96 6.35 0.07 3.32 1.04 -1.26 -0.52 113.70 120.74 1dxm s SER 49 Ca 0.43 0.57 0.07 0.00 0.48 0.00 0.00 55.95 57.50 1dxm s SER 49 Cb -0.13 -2.08 -0.03 0.00 0.10 0.00 0.00 66.02 63.87 1dxm s SER 49 CO 0.20 -0.27 -0.18 0.68 0.98 0.00 0.00 173.24 174.65 1dxm s VAL 50 N -2.24 1.44 -0.03 5.02 -7.23 0.89 -4.86 120.40 113.38 1dxm s VAL 50 Ca 0.42 -1.30 0.06 0.00 -1.81 0.00 0.00 61.98 59.35 1dxm s VAL 50 Cb -0.10 -1.31 -0.01 0.00 0.56 0.00 0.00 36.38 35.52 1dxm s VAL 50 CO 0.34 -0.03 -0.21 -0.89 -0.31 0.00 0.00 175.10 174.01 1dxm s THR 51 N -1.04 1.67 0.04 5.32 2.01 -1.26 -0.94 115.64 121.43 1dxm s THR 51 Ca 0.04 -0.89 -0.35 0.00 0.31 0.00 0.00 61.69 60.80 1dxm s THR 51 Cb -0.09 -1.40 -0.14 0.00 0.01 0.00 0.00 72.50 70.88 1dxm s THR 51 CO 0.03 0.47 1.63 1.17 -0.69 0.00 0.00 174.62 177.23 1dxm n LYS 52 N 2.73 1.90 0.00 4.92 4.81 -1.20 -1.11 118.16 130.21 1dxm n LYS 52 Ca -0.16 0.69 0.00 0.00 -0.87 0.00 0.00 58.31 57.97 1dxm n LYS 52 Cb 0.53 -2.45 0.00 0.00 0.02 0.00 0.00 35.03 33.13 1dxm n LYS 52 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1dxm n GLY 53 N 3.60 2.27 3.82 3.14 0.00 -0.12 -4.96 105.19 112.93 1dxm n GLY 53 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1dxm n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dxm s LYS 54 N -0.47 3.88 0.49 1.61 -0.14 -0.26 -4.84 119.74 120.01 1dxm s LYS 54 Ca 0.00 0.17 -0.22 0.00 -1.36 0.00 0.00 55.97 54.56 1dxm s LYS 54 Cb 0.00 -3.27 -0.06 0.00 -1.68 0.00 0.00 37.83 32.82 1dxm s LYS 54 CO 0.00 0.59 1.22 0.20 -0.76 0.00 0.00 175.35 176.60 1dxm s GLY 55 N -0.62 2.80 0.00 -3.33 0.00 -1.26 -1.68 107.32 103.22 1dxm s GLY 55 Ca 0.19 1.04 0.00 0.00 0.00 0.00 0.00 44.72 45.95 1dxm s GLY 55 CO 0.08 1.51 0.00 1.97 0.00 0.00 0.00 173.10 176.66 1dxm n PHE 56 N -0.74 0.00 -2.22 1.90 1.16 0.76 -4.86 117.46 113.46 1dxm n PHE 56 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.67 1dxm n PHE 56 Cb 0.47 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.34 1dxm n PHE 56 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1dxm n GLY 57 N 2.11 4.96 3.65 4.97 0.00 -1.12 -3.87 105.19 115.89 1dxm n GLY 57 Ca 0.00 -1.13 -0.04 0.00 0.00 0.00 0.00 46.02 44.85 1dxm n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dxm s ALA 58 N -1.82 -2.20 -0.11 4.61 0.00 -0.65 -2.71 121.76 118.89 1dxm s ALA 58 Ca 0.00 1.75 -0.01 0.00 0.00 0.00 0.00 51.96 53.70 1dxm s ALA 58 Cb 0.00 -1.72 -0.02 0.00 0.00 0.00 0.00 23.12 21.38 1dxm s ALA 58 CO 0.00 -0.15 -0.08 0.14 0.00 0.00 0.00 175.76 175.68 1dxm s VAL 59 N 0.15 3.57 -0.08 0.00 -7.23 -0.54 -1.02 120.40 115.25 1dxm s VAL 59 Ca 0.05 -0.50 0.05 0.00 -1.81 0.00 0.00 61.98 59.77 1dxm s VAL 59 Cb -0.05 -2.50 -0.01 0.00 0.56 0.00 0.00 36.38 34.38 1dxm s VAL 59 CO -0.13 0.54 -0.23 -0.70 -0.31 0.00 0.00 175.10 174.27 1dxm s GLU 60 N -0.11 2.79 0.41 4.82 2.12 0.24 -0.72 118.70 128.25 1dxm s GLU 60 Ca 0.01 -0.86 0.03 0.00 0.36 0.00 0.00 54.97 54.51 1dxm s GLU 60 Cb -0.13 -2.27 -0.04 0.00 0.26 0.00 0.00 34.13 31.95 1dxm s GLU 60 CO 0.03 0.32 0.07 -1.54 -0.54 0.00 0.00 175.26 173.59 1dxm s SER 61 N 0.01 3.14 0.49 -1.70 1.04 0.14 -0.62 113.70 116.19 1dxm s SER 61 Ca -0.08 -1.56 0.28 0.00 0.48 0.00 0.00 55.95 55.07 1dxm s SER 61 Cb -0.15 0.27 1.07 0.00 0.10 0.00 0.00 66.02 67.31 1dxm s SER 61 CO 0.05 -0.78 1.88 0.58 0.98 0.00 0.00 173.24 175.95 1dxm h VAL 62 N 1.76 0.27 0.18 5.02 2.07 -1.86 -3.15 116.25 120.53 1dxm h VAL 62 Ca -0.40 -0.85 -0.30 0.00 0.82 0.00 0.00 66.70 65.97 1dxm h VAL 62 Cb 1.27 1.67 0.02 0.00 -1.52 0.00 0.00 31.29 32.73 1dxm h VAL 62 CO 0.67 0.11 -1.42 0.50 0.02 0.00 0.00 177.57 177.45 1dxm h LYS 63 N 0.00 0.38 -2.72 1.57 3.64 -1.89 -3.49 116.57 114.06 1dxm h LYS 63 Ca -0.00 -0.65 0.10 0.00 -1.27 0.00 0.00 60.65 58.83 1dxm h LYS 63 Cb 0.66 0.24 -0.05 0.00 -0.41 0.00 0.00 32.23 32.67 1dxm h LYS 63 CO 0.01 1.31 0.36 0.00 -2.27 0.00 0.00 179.45 178.87 1dxm s ALA 64 N -2.53 -1.34 -0.14 5.00 0.00 -1.19 -5.12 121.76 116.43 1dxm s ALA 64 Ca -0.15 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 51.61 1dxm s ALA 64 Cb 0.04 0.74 0.02 0.00 0.00 0.00 0.00 23.12 23.92 1dxm s ALA 64 CO 0.85 -1.04 -0.19 0.99 0.00 0.00 0.00 175.76 176.38 1dxm s THR 65 N -3.31 1.87 -0.08 0.00 2.01 -1.26 0.23 115.64 115.10 1dxm s THR 65 Ca 0.13 -0.85 0.03 0.00 0.31 0.00 0.00 61.69 61.32 1dxm s THR 65 Cb -0.04 -1.68 0.00 0.00 0.01 0.00 0.00 72.50 70.79 1dxm s THR 65 CO 0.06 0.51 -0.18 -0.55 -0.69 0.00 0.00 174.62 173.77 1dxm s SER 66 N 1.07 2.42 0.23 3.53 0.15 0.10 -5.00 113.70 116.20 1dxm s SER 66 Ca -0.02 -0.42 -0.30 0.00 0.70 0.00 0.00 55.95 55.91 1dxm s SER 66 Cb -0.14 -1.04 -0.09 0.00 -1.71 0.00 0.00 66.02 63.04 1dxm s SER 66 CO -0.06 0.11 1.21 -1.81 1.20 0.00 0.00 173.24 173.89 1dxm s ASP 67 N 0.42 7.05 -0.29 5.45 1.01 -1.26 -1.47 116.67 127.58 1dxm s ASP 67 Ca -0.15 2.34 -0.04 0.00 0.71 0.00 0.00 52.55 55.41 1dxm s ASP 67 Cb -0.16 -2.62 0.03 0.00 1.01 0.00 0.00 42.92 41.18 1dxm s ASP 67 CO 0.06 -0.37 0.03 -0.69 0.21 0.00 0.00 175.17 174.40 1dxm s VAL 68 N -0.43 3.44 0.07 -1.27 1.01 -1.10 -4.91 120.40 117.21 1dxm s VAL 68 Ca 0.51 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.52 1dxm s VAL 68 Cb -0.34 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 1dxm s VAL 68 CO 0.40 0.05 0.20 0.20 0.00 0.00 0.00 175.10 175.95 1dxm s ASN 69 N 1.39 6.24 -0.13 3.32 0.01 -1.26 -0.17 114.94 124.34 1dxm s ASN 69 Ca -0.00 0.22 -0.28 0.00 -0.71 0.00 0.00 52.86 52.10 1dxm s ASN 69 Cb -0.18 -1.89 -0.01 0.00 0.41 0.00 0.00 41.25 39.58 1dxm s ASN 69 CO -0.00 0.16 0.94 -0.55 -1.51 0.00 0.00 177.10 176.14 1dxm s SER 70 N -2.54 7.13 0.55 -1.22 0.15 -0.68 -4.89 113.70 112.21 1dxm s SER 70 Ca 0.34 1.39 0.27 0.00 0.70 0.00 0.00 55.95 58.65 1dxm s SER 70 Cb -0.13 -2.51 1.60 0.00 -1.71 0.00 0.00 66.02 63.26 1dxm s SER 70 CO 0.27 -0.43 2.16 -0.65 1.20 0.00 0.00 173.24 175.80 1dxm h PRO 71 N 7.18 0.00 -4.53 5.44 0.11 -1.91 -0.30 132.00 137.98 1dxm h PRO 71 Ca -0.30 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.51 1dxm h PRO 71 Cb 1.14 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.12 1dxm h PRO 71 CO 0.85 0.06 -0.47 0.96 -0.21 0.00 0.00 178.00 179.19 1dxm s ILE 72 N -4.49 0.00 0.15 4.15 -4.36 -1.26 -4.64 121.20 110.74 1dxm s ILE 72 Ca -0.04 -1.88 0.03 0.00 -0.26 0.00 0.00 60.65 58.50 1dxm s ILE 72 Cb 0.15 -2.49 -0.04 0.00 1.25 0.00 0.00 42.46 41.33 1dxm s ILE 72 CO 0.58 0.00 0.23 -0.44 0.24 0.00 0.00 174.94 175.55 1dxm s SER 73 N -3.22 6.08 0.00 4.36 0.01 -1.26 -3.24 113.70 116.43 1dxm s SER 73 Ca 0.37 0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.71 1dxm s SER 73 Cb 0.04 -1.76 0.00 0.00 0.21 0.00 0.00 66.02 64.50 1dxm s SER 73 CO 0.18 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.50 1dxm n GLY 74 N -0.43 -2.14 3.66 3.44 0.00 -0.12 -1.55 105.19 108.05 1dxm n GLY 74 Ca -0.07 -1.36 -0.35 0.00 0.00 0.00 0.00 46.02 44.24 1dxm n GLY 74 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1dxm s GLU 75 N -1.94 3.80 0.06 1.61 2.12 -1.06 -0.08 118.70 123.21 1dxm s GLU 75 Ca 0.00 -0.34 -0.30 0.00 0.36 0.00 0.00 54.97 54.69 1dxm s GLU 75 Cb 0.00 -3.15 -0.08 0.00 0.26 0.00 0.00 34.13 31.16 1dxm s GLU 75 CO 0.00 0.37 1.73 0.08 -0.54 0.00 0.00 175.26 176.90 1dxm s VAL 76 N 0.09 3.03 -0.02 3.70 1.01 0.33 -2.16 120.40 126.38 1dxm s VAL 76 Ca 0.05 0.38 0.12 0.00 0.00 0.00 0.00 61.98 62.53 1dxm s VAL 76 Cb -0.12 -3.25 -0.18 0.00 0.00 0.00 0.00 36.38 32.83 1dxm s VAL 76 CO 0.01 -0.01 0.25 2.30 0.00 0.00 0.00 175.10 177.65 1dxm n ILE 77 N 4.95 0.05 -3.59 2.22 -5.35 -0.20 -1.17 119.36 116.26 1dxm n ILE 77 Ca 0.17 -0.29 -0.17 0.00 -0.27 0.00 0.00 62.75 62.20 1dxm n ILE 77 Cb 0.40 0.17 -0.07 0.00 -1.74 0.00 0.00 39.64 38.40 1dxm n ILE 77 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1dxm s GLU 78 N -2.80 0.95 0.06 6.28 2.12 -1.13 -4.86 118.70 119.33 1dxm s GLU 78 Ca -0.04 0.13 0.04 0.00 0.36 0.00 0.00 54.97 55.45 1dxm s GLU 78 Cb 0.07 0.44 -0.03 0.00 0.26 0.00 0.00 34.13 34.88 1dxm s GLU 78 CO 0.50 -0.29 -0.11 0.14 -0.54 0.00 0.00 175.26 174.96 1dxm s VAL 79 N -1.23 0.85 -1.11 3.70 -7.23 -1.26 -0.97 120.40 113.15 1dxm s VAL 79 Ca -0.12 -1.27 -0.19 0.00 -1.81 0.00 0.00 61.98 58.60 1dxm s VAL 79 Cb -0.02 -0.93 0.10 0.00 0.56 0.00 0.00 36.38 36.09 1dxm s VAL 79 CO 0.08 -0.34 1.45 0.21 -0.31 0.00 0.00 175.10 176.19 1dxm s ASN 80 N -1.79 6.72 0.55 4.85 3.84 -0.50 -4.85 114.94 123.77 1dxm s ASN 80 Ca -0.04 -2.13 0.23 0.00 0.21 0.00 0.00 52.86 51.13 1dxm s ASN 80 Cb -0.09 -2.50 1.54 0.00 -0.55 0.00 0.00 41.25 39.65 1dxm s ASN 80 CO 0.01 -1.18 2.20 0.71 -2.79 0.00 0.00 177.10 176.05 1dxm h THR 81 N 5.87 0.76 0.00 -5.21 1.35 -1.94 -1.44 112.91 112.29 1dxm h THR 81 Ca 0.28 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 66.10 1dxm h THR 81 Cb 0.95 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1dxm h THR 81 CO 1.33 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 177.22 1dxm n GLY 82 N -1.39 -0.83 0.15 5.82 0.00 -1.26 -3.44 105.19 104.23 1dxm n GLY 82 Ca -0.03 -0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.70 1dxm n GLY 82 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1dxm h LEU 83 N 0.00 0.66 -0.07 0.99 5.85 -1.54 -2.77 115.31 118.43 1dxm h LEU 83 Ca 0.00 -0.62 0.00 0.00 0.84 0.00 0.00 57.88 58.10 1dxm h LEU 83 Cb 0.11 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.93 1dxm h LEU 83 CO 0.00 1.44 0.00 0.35 -0.34 0.00 0.00 178.44 179.89 1dxm n THR 84 N -3.70 1.14 -0.01 1.05 -2.24 -1.22 -0.54 114.28 108.75 1dxm n THR 84 Ca -0.11 0.29 0.05 0.00 -2.27 0.00 0.00 64.05 62.02 1dxm n THR 84 Cb 0.96 -1.10 -0.08 0.00 -2.10 0.00 0.00 70.33 68.01 1dxm n THR 84 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dxm n GLY 85 N -0.25 -0.50 2.41 3.38 0.00 -1.24 -4.70 105.19 104.29 1dxm n GLY 85 Ca 0.03 -0.25 -0.20 0.00 0.00 0.00 0.00 46.02 45.59 1dxm n GLY 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1dxm n LYS 86 N -1.91 1.60 -0.01 1.61 0.00 -0.89 -4.94 118.16 113.62 1dxm n LYS 86 Ca -0.03 -3.77 0.22 0.00 0.00 0.00 0.00 58.31 54.73 1dxm n LYS 86 Cb 0.32 -1.83 0.71 0.00 0.00 0.00 0.00 35.03 34.23 1dxm n LYS 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 1dxm h PRO 87 N 2.99 0.00 0.00 1.64 0.11 -1.09 -0.56 132.00 135.09 1dxm h PRO 87 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1dxm h PRO 87 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1dxm h PRO 87 CO 0.59 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 179.16 1dxm h GLY 88 N 0.00 0.00 0.90 -0.55 0.00 -1.85 -2.52 103.07 99.05 1dxm h GLY 88 Ca 0.27 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.72 1dxm h GLY 88 CO -0.00 0.00 0.43 1.41 0.00 0.00 0.00 176.54 178.38 1dxm h LEU 89 N 0.00 0.32 -1.24 3.11 3.38 -1.45 0.25 115.31 119.67 1dxm h LEU 89 Ca 0.00 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1dxm h LEU 89 Cb 0.03 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1dxm h LEU 89 CO 0.00 0.18 -0.14 0.40 0.09 0.00 0.00 178.44 178.97 1dxm h ILE 90 N 0.34 1.21 0.04 1.22 2.04 -1.68 0.60 117.51 121.28 1dxm h ILE 90 Ca 0.31 -0.92 -0.10 0.00 1.00 0.00 0.00 64.86 65.14 1dxm h ILE 90 Cb 0.73 1.20 0.01 0.00 -0.74 0.00 0.00 36.82 38.02 1dxm h ILE 90 CO -0.08 0.29 -0.41 0.78 0.00 0.00 0.00 178.15 178.74 1dxm h ASN 91 N 0.33 0.29 0.13 1.72 4.21 -0.78 -3.19 115.58 118.29 1dxm h ASN 91 Ca 0.06 -0.86 -0.28 0.00 1.21 0.00 0.00 56.30 56.42 1dxm h ASN 91 Cb 0.45 -0.09 0.03 0.00 -1.12 0.00 0.00 38.32 37.58 1dxm h ASN 91 CO 0.03 1.13 -1.19 0.77 -1.29 0.00 0.00 177.43 176.87 1dxm h SER 92 N -0.50 0.82 -1.80 5.81 4.64 -0.82 -3.40 113.55 118.30 1dxm h SER 92 Ca -0.06 -0.84 -0.50 0.00 -0.47 0.00 0.00 61.79 59.92 1dxm h SER 92 Cb 1.22 -0.26 -0.41 0.00 -0.31 0.00 0.00 62.40 62.64 1dxm h SER 92 CO 0.08 1.58 -1.00 -0.24 -0.87 0.00 0.00 176.83 176.38 1dxm n SER 93 N -3.85 2.33 -0.43 4.97 2.88 0.21 -4.98 113.62 114.76 1dxm n SER 93 Ca -0.14 -3.20 0.35 0.00 -1.33 0.00 0.00 58.87 54.55 1dxm n SER 93 Cb 0.97 -0.57 0.64 0.00 -0.75 0.00 0.00 64.21 64.49 1dxm n SER 93 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1dxm h PRO 94 N 2.94 0.12 0.00 -1.46 0.13 -1.57 0.14 132.00 132.30 1dxm h PRO 94 Ca 0.09 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 65.12 1dxm h PRO 94 Cb 0.89 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.98 1dxm h PRO 94 CO 0.62 0.08 -1.77 0.66 -0.23 0.00 0.00 178.00 177.36 1dxm n TYR 95 N -4.65 0.36 0.00 1.56 4.02 -1.26 -4.08 117.16 113.11 1dxm n TYR 95 Ca 0.35 0.11 0.00 0.00 -0.01 0.00 0.00 57.90 58.36 1dxm n TYR 95 Cb 1.36 -0.78 0.00 0.00 -0.02 0.00 0.00 39.34 39.90 1dxm n TYR 95 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1dxm n GLU 96 N -2.54 0.00 0.15 -0.72 -0.58 -0.76 -4.65 120.64 111.55 1dxm n GLU 96 Ca -0.09 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.78 1dxm n GLU 96 Cb 0.72 0.00 0.48 0.00 -0.57 0.00 0.00 31.44 32.07 1dxm n GLU 96 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1dxm h ASP 97 N 0.00 0.00 -0.01 1.62 3.32 -1.88 -2.90 116.42 116.58 1dxm h ASP 97 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1dxm h ASP 97 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1dxm h ASP 97 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 1dxm n GLY 98 N 0.36 -0.49 3.65 2.75 0.00 0.40 -4.85 105.19 107.02 1dxm n GLY 98 Ca 0.03 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 1dxm n GLY 98 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1dxm n TRP 99 N -0.40 1.79 -0.12 1.61 4.27 -1.10 -4.67 117.44 118.83 1dxm n TRP 99 Ca 0.21 0.58 -0.22 0.00 -3.89 0.00 0.00 57.50 54.18 1dxm n TRP 99 Cb 0.23 -2.33 -0.08 0.00 -1.36 0.00 0.00 31.31 27.77 1dxm n TRP 99 CO 0.00 0.00 0.00 -1.33 -2.29 0.00 0.00 177.69 174.07 1dxm n MET 100 N 0.43 0.57 -4.16 -2.67 2.81 0.26 -4.58 117.12 109.77 1dxm n MET 100 Ca 0.07 0.29 -0.10 0.00 -1.81 0.00 0.00 57.70 56.15 1dxm n MET 100 Cb 0.36 -1.51 -0.10 0.00 -0.71 0.00 0.00 33.22 31.27 1dxm n MET 100 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 1dxm s ILE 101 N -2.59 0.17 -0.05 2.02 -4.36 -0.95 -1.41 121.20 114.03 1dxm s ILE 101 Ca -0.34 -1.92 0.02 0.00 -0.26 0.00 0.00 60.65 58.15 1dxm s ILE 101 Cb 0.11 -2.04 0.01 0.00 1.25 0.00 0.00 42.46 41.79 1dxm s ILE 101 CO 0.47 -0.48 -0.10 -0.54 0.24 0.00 0.00 174.94 174.53 1dxm s LYS 102 N -4.03 1.30 0.26 0.37 1.02 -0.14 -0.81 119.74 117.71 1dxm s LYS 102 Ca 0.24 -0.32 0.03 0.00 0.02 0.00 0.00 55.97 55.93 1dxm s LYS 102 Cb 0.07 -1.14 -0.05 0.00 -0.52 0.00 0.00 37.83 36.19 1dxm s LYS 102 CO 0.02 0.04 0.05 0.96 -0.92 0.00 0.00 175.35 175.49 1dxm s ILE 103 N 0.56 0.89 -0.35 2.17 -4.36 0.85 -1.04 121.20 119.92 1dxm s ILE 103 Ca -0.10 -2.01 -0.07 0.00 -0.26 0.00 0.00 60.65 58.21 1dxm s ILE 103 Cb -0.13 -2.56 0.04 0.00 1.25 0.00 0.00 42.46 41.05 1dxm s ILE 103 CO 0.02 -0.13 0.13 -0.75 0.24 0.00 0.00 174.94 174.45 1dxm s LYS 104 N -3.93 2.64 0.44 0.37 2.20 -0.92 -0.33 119.74 120.21 1dxm s LYS 104 Ca 0.34 -1.19 -0.24 0.00 -0.36 0.00 0.00 55.97 54.52 1dxm s LYS 104 Cb 0.07 -3.52 -0.10 0.00 -1.51 0.00 0.00 37.83 32.78 1dxm s LYS 104 CO 0.12 -0.69 1.06 -2.30 -0.36 0.00 0.00 175.35 173.18 1dxm n PRO 105 N 4.84 1.43 -0.11 4.03 -0.02 -1.26 -2.56 135.00 141.35 1dxm n PRO 105 Ca -0.12 0.51 -0.13 0.00 -2.02 0.00 0.00 63.50 61.74 1dxm n PRO 105 Cb 0.45 -2.13 -0.13 0.00 -0.02 0.00 0.00 33.50 31.67 1dxm n PRO 105 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1dxm n THR 106 N -0.55 1.36 -3.41 3.45 -1.04 -0.60 -4.79 114.28 108.70 1dxm n THR 106 Ca 0.09 -0.66 -0.27 0.00 -2.04 0.00 0.00 64.05 61.17 1dxm n THR 106 Cb 0.40 -0.96 -0.10 0.00 -1.82 0.00 0.00 70.33 67.85 1dxm n THR 106 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1dxm n SER 107 N -2.98 -0.36 0.28 8.00 2.88 -1.26 -5.00 113.62 115.18 1dxm n SER 107 Ca -0.38 -2.40 0.10 0.00 -1.33 0.00 0.00 58.87 54.86 1dxm n SER 107 Cb 1.03 -0.56 0.46 0.00 -0.75 0.00 0.00 64.21 64.39 1dxm n SER 107 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1dxm h PRO 108 N 5.60 0.00 0.00 -1.46 0.11 -1.92 -0.35 132.00 133.99 1dxm h PRO 108 Ca 0.26 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.36 1dxm h PRO 108 Cb 0.90 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 1dxm h PRO 108 CO 0.38 0.00 -0.08 -0.44 -0.21 0.00 0.00 178.00 177.65 1dxm h ASP 109 N 0.00 0.00 0.26 -2.05 3.45 -2.02 -2.41 116.42 113.65 1dxm h ASP 109 Ca 0.04 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.49 1dxm h ASP 109 Cb 1.38 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 40.15 1dxm h ASP 109 CO -0.00 0.08 -0.06 -0.33 -1.57 0.00 0.00 179.24 177.37 1dxm h GLU 110 N 0.00 0.00 0.00 3.56 5.08 -1.46 -1.57 114.58 120.19 1dxm h GLU 110 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1dxm h GLU 110 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1dxm h GLU 110 CO 0.01 0.06 0.00 1.28 -1.00 0.00 0.00 179.01 179.36 1dxm n LEU 111 N -3.54 0.00 0.02 1.33 4.77 -0.91 -2.44 117.00 116.23 1dxm n LEU 111 Ca -0.02 0.33 -0.11 0.00 -0.03 0.00 0.00 56.01 56.17 1dxm n LEU 111 Cb 0.17 -0.33 -0.14 0.00 -2.33 0.00 0.00 43.42 40.80 1dxm n LEU 111 CO 0.27 -0.23 -0.38 -0.33 -1.33 0.00 0.00 177.39 175.39 1dxm h GLU 112 N 0.00 0.08 0.00 3.23 5.08 -1.50 -3.33 114.58 118.14 1dxm h GLU 112 Ca 0.00 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1dxm h GLU 112 Cb 0.10 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1dxm h GLU 112 CO 0.00 0.80 0.00 0.66 -1.00 0.00 0.00 179.01 179.47 1dxm h SER 113 N 0.02 0.00 -3.79 1.42 4.64 -1.66 -3.45 113.55 110.72 1dxm h SER 113 Ca -0.24 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.62 1dxm h SER 113 Cb 1.97 0.00 0.18 0.00 -0.31 0.00 0.00 62.40 64.24 1dxm h SER 113 CO 0.11 0.00 0.16 -0.76 -0.87 0.00 0.00 176.83 175.47 1dxm s LEU 114 N -5.89 1.72 0.12 5.97 1.43 -1.24 -5.01 118.68 115.79 1dxm s LEU 114 Ca 0.06 1.52 -0.13 0.00 -1.03 0.00 0.00 54.13 54.55 1dxm s LEU 114 Cb 0.07 -3.72 -0.07 0.00 0.03 0.00 0.00 46.19 42.51 1dxm s LEU 114 CO 0.61 -3.32 0.50 -0.76 0.23 0.00 0.00 176.35 173.61 1dxm s LEU 115 N -6.65 4.34 0.72 1.79 1.43 0.18 -4.82 118.68 115.68 1dxm s LEU 115 Ca 0.66 0.98 -0.10 0.00 -1.03 0.00 0.00 54.13 54.63 1dxm s LEU 115 Cb -0.21 -3.18 0.04 0.00 0.03 0.00 0.00 46.19 42.87 1dxm s LEU 115 CO 0.60 0.12 1.08 -0.83 0.23 0.00 0.00 176.35 177.55 1dxm s GLY 116 N -1.74 1.62 0.24 -3.19 0.00 -1.26 0.47 107.32 103.46 1dxm s GLY 116 Ca 0.36 -0.57 -0.04 0.00 0.00 0.00 0.00 44.72 44.47 1dxm s GLY 116 CO 0.19 -0.18 1.78 0.00 0.00 0.00 0.00 173.10 174.89 1dxm h ALA 117 N -0.69 1.14 0.54 3.20 0.00 -1.83 -0.66 119.26 120.96 1dxm h ALA 117 Ca -0.45 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 1dxm h ALA 117 Cb 1.29 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.03 1dxm h ALA 117 CO 0.63 -0.03 -0.26 -0.22 0.00 0.00 0.00 179.25 179.38 1dxm h LYS 118 N 0.66 -0.70 -0.73 0.00 3.64 -1.93 -1.74 116.57 115.77 1dxm h LYS 118 Ca 0.41 0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.82 1dxm h LYS 118 Cb 0.47 0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.42 1dxm h LYS 118 CO -0.30 -0.45 0.42 0.93 -2.27 0.00 0.00 179.45 177.77 1dxm h GLU 119 N -0.76 0.99 -0.19 1.90 3.07 -1.87 -2.31 114.58 115.42 1dxm h GLU 119 Ca -0.07 -0.09 0.01 0.00 -0.50 0.00 0.00 59.36 58.70 1dxm h GLU 119 Cb 0.57 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 1dxm h GLU 119 CO 0.12 0.71 0.09 -0.92 -1.40 0.00 0.00 179.01 177.62 1dxm h TYR 120 N 1.00 0.17 -0.88 4.33 3.20 -0.95 0.19 116.97 124.04 1dxm h TYR 120 Ca 0.26 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.16 1dxm h TYR 120 Cb -0.01 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.16 1dxm h TYR 120 CO 0.01 0.10 0.58 1.15 -1.64 0.00 0.00 178.16 178.35 1dxm h THR 121 N 0.20 1.19 -0.01 1.81 2.02 -0.89 0.13 112.91 117.35 1dxm h THR 121 Ca 0.08 -0.39 -0.14 0.00 0.77 0.00 0.00 66.41 66.72 1dxm h THR 121 Cb 0.01 -0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.34 1dxm h THR 121 CO -0.05 0.21 -0.66 0.07 0.37 0.00 0.00 175.52 175.46 1dxm h LYS 122 N 1.15 0.05 -0.53 6.66 2.10 -1.08 -2.66 116.57 122.27 1dxm h LYS 122 Ca 0.33 -0.04 -0.11 0.00 -2.00 0.00 0.00 60.65 58.83 1dxm h LYS 122 Cb -0.07 0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 31.25 1dxm h LYS 122 CO -0.09 0.69 -0.12 0.35 -2.00 0.00 0.00 179.45 178.28 1dxm h PHE 123 N 0.03 1.11 0.00 0.07 3.57 0.27 -1.61 116.94 120.39 1dxm h PHE 123 Ca -0.01 -0.23 -0.03 0.00 3.53 0.00 0.00 57.97 61.23 1dxm h PHE 123 Cb 1.17 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.63 1dxm h PHE 123 CO 0.01 1.04 -0.17 0.00 -2.23 0.00 0.00 178.31 176.96 1dxm h GLU 125 N 0.00 0.07 -0.41 0.00 5.08 -1.03 -2.44 114.58 115.85 1dxm h GLU 125 Ca -0.00 -0.11 -0.11 0.00 -1.00 0.00 0.00 59.36 58.14 1dxm h GLU 125 Cb 0.57 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1dxm h GLU 125 CO 0.02 1.01 -0.18 1.49 -1.00 0.00 0.00 179.01 180.36 1dxm h GLU 126 N 0.02 0.85 -0.31 2.33 4.22 -0.84 -2.38 114.58 118.47 1dxm h GLU 126 Ca -0.04 -0.36 -0.15 0.00 0.08 0.00 0.00 59.36 58.89 1dxm h GLU 126 Cb 1.74 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.96 1dxm h GLU 126 CO 0.14 1.00 -0.43 0.93 -2.18 0.00 0.00 179.01 178.48 1dxm h GLU 127 N 0.67 0.78 0.00 1.92 5.08 -1.40 -3.17 114.58 118.46 1dxm h GLU 127 Ca 0.09 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1dxm h GLU 127 Cb 0.74 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1dxm h GLU 127 CO 0.06 1.05 0.00 -0.44 -1.00 0.00 0.00 179.01 178.68 1dxm h ASP 128 N 0.63 0.00 -4.28 1.42 3.32 -1.46 -3.46 116.42 112.58 1dxm h ASP 128 Ca 0.04 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.58 1dxm h ASP 128 Cb 0.99 0.00 0.15 0.00 0.22 0.00 0.00 39.33 40.69 1dxm h ASP 128 CO 0.09 0.00 0.30 0.00 -1.72 0.00 0.00 179.24 177.92 1dxm s ALA 129 N -3.17 2.07 0.39 3.45 0.00 -0.90 -4.99 121.76 118.62 1dxm s ALA 129 Ca 0.08 0.41 -0.25 0.00 0.00 0.00 0.00 51.96 52.21 1dxm s ALA 129 Cb 0.08 -3.33 -0.09 0.00 0.00 0.00 0.00 23.12 19.78 1dxm s ALA 129 CO 0.64 -1.97 1.06 0.00 0.00 0.00 0.00 175.76 175.49 1dxm s ALA 130 N -2.73 3.12 0.00 0.00 0.00 -1.26 -5.03 121.76 115.86 1dxm s ALA 130 Ca 0.64 0.74 0.00 0.00 0.00 0.00 0.00 51.96 53.34 1dxm s ALA 130 Cb -0.20 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1dxm s ALA 130 CO 0.54 -0.23 0.19 0.72 0.00 0.00 0.00 175.76 176.98