#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ipg n ALA 2 N 0.00 -2.72 -2.78 4.61 0.00 -1.26 -5.01 120.51 113.34 1ipg n ALA 2 Ca 0.00 1.40 -0.10 0.00 0.00 0.00 0.00 53.44 54.74 1ipg n ALA 2 Cb 0.00 -3.00 0.07 0.00 0.00 0.00 0.00 19.45 16.52 1ipg n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ipg n MET 3 N 1.84 0.97 0.00 0.00 -0.00 -1.26 -4.92 117.12 113.76 1ipg n MET 3 Ca -0.21 -2.06 0.00 0.00 -0.00 0.00 0.00 57.70 55.43 1ipg n MET 3 Cb 0.32 -1.16 0.00 0.00 -0.00 0.00 0.00 33.22 32.37 1ipg n MET 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ipg n GLY 4 N 0.56 2.89 0.48 3.17 0.00 -1.26 -4.32 105.19 106.72 1ipg n GLY 4 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1ipg n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ipg n SER 5 N 0.00 -0.83 -3.48 1.61 3.41 -1.26 -5.05 113.62 108.02 1ipg n SER 5 Ca 0.00 0.51 -0.29 0.00 -0.26 0.00 0.00 58.87 58.83 1ipg n SER 5 Cb 0.00 1.11 0.02 0.00 -0.26 0.00 0.00 64.21 65.09 1ipg n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ipg n SER 6 N -2.96 -5.76 -3.21 4.04 3.41 -1.26 -3.31 113.62 104.57 1ipg n SER 6 Ca 0.00 -0.31 -0.09 0.00 -0.26 0.00 0.00 58.87 58.21 1ipg n SER 6 Cb 0.00 -2.35 0.00 0.00 -0.26 0.00 0.00 64.21 61.60 1ipg n SER 6 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ipg n THR 7 N -1.03 -8.45 -0.19 6.66 -2.24 -1.26 -4.82 114.28 102.96 1ipg n THR 7 Ca -0.13 0.03 -0.11 0.00 -2.27 0.00 0.00 64.05 61.57 1ipg n THR 7 Cb 0.65 -5.91 -0.07 0.00 -2.10 0.00 0.00 70.33 62.90 1ipg n THR 7 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1ipg h SER 8 N 0.68 -1.72 -1.25 3.42 0.87 -1.93 -2.77 113.55 110.84 1ipg h SER 8 Ca -0.18 0.25 -0.71 0.00 -1.23 0.00 0.00 61.79 59.92 1ipg h SER 8 Cb 1.12 0.74 -0.12 0.00 -0.44 0.00 0.00 62.40 63.70 1ipg h SER 8 CO 0.29 -0.36 2.02 0.61 -0.53 0.00 0.00 176.83 178.87 1ipg n GLY 9 N -1.38 3.36 5.28 5.77 0.00 -1.26 -4.96 105.19 112.00 1ipg n GLY 9 Ca -0.01 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.27 1ipg n GLY 9 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ipg n LEU 10 N 6.61 0.00 0.00 0.99 7.99 -1.05 -4.66 117.00 126.88 1ipg n LEU 10 Ca 0.44 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.44 1ipg n LEU 10 Cb 0.43 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.74 1ipg n LEU 10 CO 0.74 0.00 0.00 0.29 -1.51 0.00 0.00 177.39 176.91 1ipg n LYS 11 N 4.06 1.56 -1.62 3.23 4.76 -1.26 -4.70 118.16 124.19 1ipg n LYS 11 Ca 0.00 0.00 -0.48 0.00 -2.87 0.00 0.00 58.31 54.96 1ipg n LYS 11 Cb 0.00 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.15 1ipg n LYS 11 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1ipg n THR 12 N -0.62 0.48 -2.81 -0.18 -2.24 -1.26 -4.89 114.28 102.76 1ipg n THR 12 Ca 0.00 -0.12 -0.42 0.00 -2.27 0.00 0.00 64.05 61.25 1ipg n THR 12 Cb 0.00 -1.12 -0.03 0.00 -2.10 0.00 0.00 70.33 67.07 1ipg n THR 12 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ipg s THR 13 N 0.25 4.88 -0.46 4.28 2.01 -0.62 -4.75 115.64 121.23 1ipg s THR 13 Ca 0.76 1.85 -0.22 0.00 0.31 0.00 0.00 61.69 64.39 1ipg s THR 13 Cb -0.80 -4.23 0.03 0.00 0.01 0.00 0.00 72.50 67.51 1ipg s THR 13 CO 0.47 0.11 0.77 -0.75 -0.69 0.00 0.00 174.62 174.53 1ipg s LYS 14 N 1.46 3.35 -0.26 4.92 2.20 -1.26 -2.41 119.74 127.74 1ipg s LYS 14 Ca 0.45 -0.23 -0.00 0.00 -0.36 0.00 0.00 55.97 55.83 1ipg s LYS 14 Cb -0.19 -3.97 0.04 0.00 -1.51 0.00 0.00 37.83 32.21 1ipg s LYS 14 CO 0.20 -1.15 -0.07 0.42 -0.36 0.00 0.00 175.35 174.39 1ipg s ILE 15 N 3.24 2.68 -0.36 5.43 1.01 -0.78 -4.79 121.20 127.62 1ipg s ILE 15 Ca 0.28 -1.25 -0.26 0.00 0.00 0.00 0.00 60.65 59.41 1ipg s ILE 15 Cb -0.13 -2.44 0.02 0.00 0.01 0.00 0.00 42.46 39.92 1ipg s ILE 15 CO 0.21 0.09 0.95 -0.54 0.00 0.00 0.00 174.94 175.65 1ipg s LYS 16 N 1.25 3.87 0.64 2.79 -0.14 -1.26 -1.46 119.74 125.44 1ipg s LYS 16 Ca -0.03 0.64 -0.10 0.00 -1.36 0.00 0.00 55.97 55.13 1ipg s LYS 16 Cb -0.18 -3.79 -0.00 0.00 -1.68 0.00 0.00 37.83 32.18 1ipg s LYS 16 CO -0.04 -0.95 1.01 -0.06 -0.76 0.00 0.00 175.35 174.55 1ipg s PHE 17 N 3.51 3.38 -0.52 3.18 0.40 0.07 -0.88 117.98 127.12 1ipg s PHE 17 Ca 0.39 0.98 0.06 0.00 -0.60 0.00 0.00 56.93 57.76 1ipg s PHE 17 Cb -0.12 -2.87 0.23 0.00 0.51 0.00 0.00 43.02 40.78 1ipg s PHE 17 CO 0.18 -0.93 0.58 0.66 0.70 0.00 0.00 175.22 176.41 1ipg n TYR 18 N -2.80 1.41 -2.45 0.36 4.02 0.41 -2.67 117.16 115.45 1ipg n TYR 18 Ca 0.06 -3.83 -0.43 0.00 -0.01 0.00 0.00 57.90 53.69 1ipg n TYR 18 Cb 0.57 -0.38 -0.02 0.00 -0.02 0.00 0.00 39.34 39.48 1ipg n TYR 18 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 1ipg s TYR 19 N -1.53 2.66 0.00 -0.72 5.04 -0.17 -1.53 117.35 121.10 1ipg s TYR 19 Ca 0.35 0.82 0.00 0.00 -2.44 0.00 0.00 57.07 55.80 1ipg s TYR 19 Cb 0.12 -4.09 0.00 0.00 0.35 0.00 0.00 41.96 38.35 1ipg s TYR 19 CO -0.09 -1.65 0.00 1.63 -1.34 0.00 0.00 175.55 174.10 1ipg n LYS 20 N 7.58 0.00 0.00 4.97 5.02 -1.01 -0.66 118.16 134.06 1ipg n LYS 20 Ca 0.15 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.57 1ipg n LYS 20 Cb 0.47 0.00 0.52 0.00 -0.02 0.00 0.00 35.03 36.00 1ipg n LYS 20 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1ipg n ASP 21 N 1.48 0.64 -4.92 4.39 9.92 -1.26 -4.85 116.55 121.96 1ipg n ASP 21 Ca 0.00 -0.62 -0.30 0.00 -0.53 0.00 0.00 54.79 53.34 1ipg n ASP 21 Cb 0.00 -0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.44 1ipg n ASP 21 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1ipg s ASP 22 N -2.53 6.41 0.02 -2.24 1.11 0.17 -5.11 116.67 114.51 1ipg s ASP 22 Ca 0.26 0.41 0.01 0.00 0.18 0.00 0.00 52.55 53.41 1ipg s ASP 22 Cb 0.20 -2.02 -0.02 0.00 1.07 0.00 0.00 42.92 42.15 1ipg s ASP 22 CO 0.50 0.07 -0.04 -0.63 1.18 0.00 0.00 175.17 176.25 1ipg s ILE 23 N -1.67 0.25 0.00 0.77 1.01 -1.26 -0.99 121.20 119.31 1ipg s ILE 23 Ca 0.38 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 60.24 1ipg s ILE 23 Cb -0.12 -0.34 0.00 0.00 0.01 0.00 0.00 42.46 42.01 1ipg s ILE 23 CO 0.27 -0.35 0.00 2.22 0.00 0.00 0.00 174.94 177.08 1ipg n PHE 24 N 1.86 0.00 -3.82 3.97 -1.74 -1.09 -4.94 117.46 111.71 1ipg n PHE 24 Ca -0.21 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.56 1ipg n PHE 24 Cb 0.56 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.44 1ipg n PHE 24 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1ipg s ALA 25 N -2.00 -0.46 0.03 1.98 0.00 -1.26 -0.75 121.76 119.30 1ipg s ALA 25 Ca 0.00 0.37 0.08 0.00 0.00 0.00 0.00 51.96 52.41 1ipg s ALA 25 Cb 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 1ipg s ALA 25 CO 0.00 -0.13 -0.23 -1.17 0.00 0.00 0.00 175.76 174.23 1ipg s LEU 26 N -0.34 2.13 -0.38 0.00 2.96 -0.54 -4.91 118.68 117.61 1ipg s LEU 26 Ca -0.04 -0.51 -0.06 0.00 -0.22 0.00 0.00 54.13 53.29 1ipg s LEU 26 Cb -0.03 -1.14 0.07 0.00 0.50 0.00 0.00 46.19 45.59 1ipg s LEU 26 CO 0.01 0.23 0.17 -0.04 -1.32 0.00 0.00 176.35 175.40 1ipg s MET 27 N -1.02 2.48 -0.22 1.98 -1.94 -1.25 -1.87 119.30 117.47 1ipg s MET 27 Ca 0.09 -1.41 -0.20 0.00 -1.71 0.00 0.00 55.69 52.47 1ipg s MET 27 Cb -0.09 -3.57 -0.03 0.00 2.01 0.00 0.00 34.83 33.15 1ipg s MET 27 CO 0.01 -0.84 0.60 -0.51 -0.01 0.00 0.00 175.02 174.27 1ipg s LEU 28 N 1.35 4.12 0.00 -0.03 2.01 -1.01 -4.75 118.68 120.37 1ipg s LEU 28 Ca 0.01 0.75 0.25 0.00 0.01 0.00 0.00 54.13 55.15 1ipg s LEU 28 Cb -0.21 -2.83 1.41 0.00 0.01 0.00 0.00 46.19 44.57 1ipg s LEU 28 CO 0.01 -0.28 1.84 1.17 1.01 0.00 0.00 176.35 180.09 1ipg n LYS 29 N 5.19 0.66 0.00 1.70 4.81 -1.26 -1.59 118.16 127.66 1ipg n LYS 29 Ca -0.02 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1ipg n LYS 29 Cb 0.50 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.05 1ipg n LYS 29 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ipg n GLY 30 N 0.61 2.24 0.01 3.14 0.00 -1.26 -4.88 105.19 105.05 1ipg n GLY 30 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 1ipg n GLY 30 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ipg n ASP 31 N 0.00 0.24 -4.53 1.61 5.68 -1.26 -4.97 116.55 113.32 1ipg n ASP 31 Ca 0.00 -0.19 -0.55 0.00 -0.50 0.00 0.00 54.79 53.54 1ipg n ASP 31 Cb 0.00 1.80 -0.07 0.00 -1.14 0.00 0.00 41.12 41.71 1ipg n ASP 31 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 1ipg n THR 32 N -2.10 0.22 -3.46 2.12 -1.04 -1.26 -4.95 114.28 103.81 1ipg n THR 32 Ca -0.02 -0.06 -0.09 0.00 -2.04 0.00 0.00 64.05 61.84 1ipg n THR 32 Cb 0.52 -0.33 0.01 0.00 -1.82 0.00 0.00 70.33 68.70 1ipg n THR 32 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1ipg n THR 33 N 1.71 0.00 0.07 12.58 -2.24 -1.26 -4.57 114.28 120.57 1ipg n THR 33 Ca 0.19 -0.81 -0.17 0.00 -2.27 0.00 0.00 64.05 60.99 1ipg n THR 33 Cb 0.14 -0.47 -0.09 0.00 -2.10 0.00 0.00 70.33 67.82 1ipg n THR 33 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1ipg h TYR 34 N 0.41 0.78 -0.07 4.78 3.20 -1.82 -1.58 116.97 122.67 1ipg h TYR 34 Ca -0.12 -0.45 -0.22 0.00 3.14 0.00 0.00 58.73 61.07 1ipg h TYR 34 Cb 0.49 -0.08 0.01 0.00 1.54 0.00 0.00 36.73 38.69 1ipg h TYR 34 CO 0.00 1.29 -0.86 0.87 -1.64 0.00 0.00 178.16 177.82 1ipg h LYS 35 N 0.26 0.59 -0.42 1.82 1.57 -1.95 -1.11 116.57 117.33 1ipg h LYS 35 Ca -0.12 -0.55 -0.00 0.00 -1.87 0.00 0.00 60.65 58.11 1ipg h LYS 35 Cb 1.73 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 34.15 1ipg h LYS 35 CO 0.19 1.17 0.25 1.49 -0.57 0.00 0.00 179.45 181.98 1ipg h GLU 36 N 0.37 0.57 -0.87 3.15 4.57 -1.93 -1.24 114.58 119.21 1ipg h GLU 36 Ca -0.07 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.05 1ipg h GLU 36 Cb 1.49 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 29.92 1ipg h GLU 36 CO 0.16 0.43 0.52 1.25 -1.18 0.00 0.00 179.01 180.19 1ipg h LEU 37 N 0.55 1.05 -0.78 1.64 6.46 -1.22 -1.04 115.31 121.97 1ipg h LEU 37 Ca 0.15 -0.07 0.07 0.00 -0.12 0.00 0.00 57.88 57.91 1ipg h LEU 37 Cb 0.01 -0.26 -0.06 0.00 -0.73 0.00 0.00 40.66 39.61 1ipg h LEU 37 CO -0.03 0.81 0.46 -0.09 -0.62 0.00 0.00 178.44 178.97 1ipg h ARG 38 N 1.19 0.79 0.00 1.25 2.43 -0.16 0.13 114.38 120.01 1ipg h ARG 38 Ca 0.31 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1ipg h ARG 38 Cb -0.04 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.33 1ipg h ARG 38 CO -0.06 0.52 0.00 0.45 -1.51 0.00 0.00 179.97 179.38 1ipg n SER 39 N -4.72 0.68 0.08 -3.80 2.88 -0.57 -1.42 113.62 106.76 1ipg n SER 39 Ca 0.11 0.57 0.12 0.00 -1.33 0.00 0.00 58.87 58.34 1ipg n SER 39 Cb 0.20 -0.75 0.04 0.00 -0.75 0.00 0.00 64.21 62.96 1ipg n SER 39 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1ipg n LYS 40 N -2.15 0.49 -0.10 -1.46 5.02 0.19 -4.24 118.16 115.91 1ipg n LYS 40 Ca 0.05 0.10 -0.13 0.00 -2.02 0.00 0.00 58.31 56.31 1ipg n LYS 40 Cb 0.40 -1.76 -0.12 0.00 -0.02 0.00 0.00 35.03 33.53 1ipg n LYS 40 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1ipg n ILE 41 N -2.45 1.26 -0.30 -0.18 5.41 0.21 -4.19 119.36 119.12 1ipg n ILE 41 Ca 0.01 -0.58 0.02 0.00 1.00 0.00 0.00 62.75 63.20 1ipg n ILE 41 Cb 0.51 -1.02 0.09 0.00 -0.71 0.00 0.00 39.64 38.51 1ipg n ILE 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ipg h ALA 42 N 0.31 0.46 0.00 -1.39 0.00 -1.42 0.94 119.26 118.17 1ipg h ALA 42 Ca -0.49 0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 1ipg h ALA 42 Cb 1.89 0.70 -0.02 0.00 0.00 0.00 0.00 17.79 20.36 1ipg h ALA 42 CO -0.04 -0.45 -0.52 -1.00 0.00 0.00 0.00 179.25 177.24 1ipg h PRO 43 N -0.02 0.00 -0.00 0.00 0.13 -1.78 -1.47 132.00 128.86 1ipg h PRO 43 Ca 0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.52 1ipg h PRO 43 Cb 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 1ipg h PRO 43 CO -0.87 0.52 -0.08 0.54 -0.23 0.00 0.00 178.00 177.88 1ipg n ARG 44 N -3.72 0.70 -0.09 0.86 5.12 0.22 -3.61 116.66 116.14 1ipg n ARG 44 Ca -0.01 -0.19 -0.11 0.00 -1.93 0.00 0.00 57.85 55.61 1ipg n ARG 44 Cb 0.57 -1.50 -0.12 0.00 -1.16 0.00 0.00 32.46 30.25 1ipg n ARG 44 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1ipg n ILE 45 N -0.99 1.21 -0.41 0.55 5.41 0.26 -4.98 119.36 120.41 1ipg n ILE 45 Ca 0.15 -0.64 0.00 0.00 1.00 0.00 0.00 62.75 63.26 1ipg n ILE 45 Cb 0.26 -0.80 0.00 0.00 -0.71 0.00 0.00 39.64 38.38 1ipg n ILE 45 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1ipg n ASP 46 N -2.82 -1.04 -3.86 4.38 8.00 -0.61 -5.04 116.55 115.57 1ipg n ASP 46 Ca -0.32 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.04 1ipg n ASP 46 Cb 1.01 -0.17 -0.08 0.00 -0.02 0.00 0.00 41.12 41.85 1ipg n ASP 46 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1ipg s THR 47 N -2.14 0.00 -0.64 -3.53 -1.32 -1.14 -5.05 115.64 101.82 1ipg s THR 47 Ca 0.00 -1.88 0.10 0.00 -1.21 0.00 0.00 61.69 58.70 1ipg s THR 47 Cb 0.00 -2.48 -0.07 0.00 -1.51 0.00 0.00 72.50 68.44 1ipg s THR 47 CO 0.00 0.00 0.50 -0.90 -2.21 0.00 0.00 174.62 172.01 1ipg n ASP 48 N -0.73 0.74 -4.04 8.08 5.75 -1.26 -4.47 116.55 120.62 1ipg n ASP 48 Ca 0.03 -0.87 -0.32 0.00 -0.01 0.00 0.00 54.79 53.62 1ipg n ASP 48 Cb 0.64 0.82 -0.15 0.00 -1.03 0.00 0.00 41.12 41.40 1ipg n ASP 48 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1ipg s ASN 49 N -1.76 4.34 0.24 -1.12 0.02 -1.26 -5.01 114.94 110.39 1ipg s ASN 49 Ca 0.06 -1.37 -0.11 0.00 -1.02 0.00 0.00 52.86 50.42 1ipg s ASN 49 Cb 0.08 -1.48 -0.01 0.00 0.02 0.00 0.00 41.25 39.86 1ipg s ASN 49 CO 0.36 -0.20 0.43 0.72 0.02 0.00 0.00 177.10 178.43 1ipg s PHE 50 N 1.15 0.49 0.03 2.20 -0.71 -1.26 -1.62 117.98 118.26 1ipg s PHE 50 Ca -0.08 -0.83 0.06 0.00 -1.04 0.00 0.00 56.93 55.04 1ipg s PHE 50 Cb -0.20 0.07 -0.02 0.00 -1.21 0.00 0.00 43.02 41.66 1ipg s PHE 50 CO -0.05 -0.94 -0.19 -1.59 -1.34 0.00 0.00 175.22 171.10 1ipg s LYS 51 N -4.02 1.36 -0.07 1.99 -2.85 -0.55 -4.83 119.74 110.77 1ipg s LYS 51 Ca 0.25 -0.83 0.05 0.00 -1.00 0.00 0.00 55.97 54.44 1ipg s LYS 51 Cb 0.00 -1.41 -0.01 0.00 -2.06 0.00 0.00 37.83 34.35 1ipg s LYS 51 CO 0.10 0.37 -0.24 -0.51 0.10 0.00 0.00 175.35 175.17 1ipg s LEU 52 N -0.95 2.14 0.32 2.77 1.43 -1.26 -1.57 118.68 121.57 1ipg s LEU 52 Ca 0.07 -0.50 0.03 0.00 -1.03 0.00 0.00 54.13 52.69 1ipg s LEU 52 Cb -0.08 -1.41 -0.05 0.00 0.03 0.00 0.00 46.19 44.69 1ipg s LEU 52 CO 0.01 0.22 0.11 -1.10 0.23 0.00 0.00 176.35 175.81 1ipg s GLN 53 N 0.00 1.64 -1.22 1.70 1.11 -0.62 -0.49 119.66 121.79 1ipg s GLN 53 Ca -0.08 -1.94 -0.17 0.00 0.01 0.00 0.00 55.36 53.18 1ipg s GLN 53 Cb -0.15 -0.49 0.11 0.00 -1.01 0.00 0.00 33.01 31.47 1ipg s GLN 53 CO 0.05 -0.34 1.56 0.95 0.01 0.00 0.00 175.29 177.53 1ipg s THR 54 N -3.46 4.48 -0.51 -0.19 -4.23 0.11 -1.38 115.64 110.45 1ipg s THR 54 Ca 0.34 -2.06 -0.30 0.00 -1.18 0.00 0.00 61.69 58.49 1ipg s THR 54 Cb 0.06 -5.05 -0.15 0.00 1.34 0.00 0.00 72.50 68.70 1ipg s THR 54 CO 0.15 -1.84 1.78 1.17 -0.54 0.00 0.00 174.62 175.34 1ipg n LYS 55 N 7.31 0.00 0.00 3.99 0.00 0.78 -2.19 118.16 128.06 1ipg n LYS 55 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.72 1ipg n LYS 55 Cb 0.45 -1.14 0.00 0.00 0.00 0.00 0.00 35.03 34.34 1ipg n LYS 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1ipg n LEU 56 N 6.51 0.51 0.00 3.14 4.77 -1.26 -4.15 117.00 126.52 1ipg n LEU 56 Ca 0.45 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1ipg n LEU 56 Cb -0.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1ipg n LEU 56 CO 0.69 0.00 0.00 2.22 -1.33 0.00 0.00 177.39 178.97 1ipg n PHE 57 N -0.56 0.00 0.02 -1.77 1.16 -1.26 -4.94 117.46 110.11 1ipg n PHE 57 Ca 0.00 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.39 1ipg n PHE 57 Cb 0.00 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 37.76 1ipg n PHE 57 CO 0.00 0.00 0.00 0.38 -1.87 0.00 0.00 176.76 175.27 1ipg h ASP 58 N 0.00 0.66 0.00 5.98 2.03 -1.99 -3.47 116.42 119.63 1ipg h ASP 58 Ca 0.00 -0.77 0.00 0.00 -0.73 0.00 0.00 57.03 55.53 1ipg h ASP 58 Cb 0.00 -0.20 0.00 0.00 -0.83 0.00 0.00 39.33 38.30 1ipg h ASP 58 CO 0.00 1.35 0.00 0.61 -1.03 0.00 0.00 179.24 180.17 1ipg n GLY 59 N 1.13 -1.10 3.83 7.15 0.00 -1.26 -5.17 105.19 109.77 1ipg n GLY 59 Ca -0.11 0.26 -0.06 0.00 0.00 0.00 0.00 46.02 46.11 1ipg n GLY 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ipg s SER 60 N -2.00 -0.07 0.00 1.61 1.04 -1.26 -4.57 113.70 108.45 1ipg s SER 60 Ca 0.00 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 55.59 1ipg s SER 60 Cb 0.00 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.82 1ipg s SER 60 CO 0.00 -1.37 0.00 0.61 0.98 0.00 0.00 173.24 173.46 1ipg n GLY 61 N -0.55 5.48 3.72 7.32 0.00 -0.93 -4.38 105.19 115.86 1ipg n GLY 61 Ca -0.06 -1.16 -0.62 0.00 0.00 0.00 0.00 46.02 44.18 1ipg n GLY 61 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ipg n GLU 62 N 0.00 0.66 -2.16 1.61 1.02 -1.26 -3.83 120.64 116.68 1ipg n GLU 62 Ca 0.00 0.24 -0.32 0.00 -0.02 0.00 0.00 57.16 57.06 1ipg n GLU 62 Cb 0.00 -1.85 -0.04 0.00 -0.02 0.00 0.00 31.44 29.53 1ipg n GLU 62 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1ipg s GLU 63 N 3.39 2.79 -0.24 3.49 2.12 -1.26 -0.71 118.70 128.27 1ipg s GLU 63 Ca 1.02 -0.30 -0.42 0.00 0.36 0.00 0.00 54.97 55.63 1ipg s GLU 63 Cb -1.25 -4.97 -0.18 0.00 0.26 0.00 0.00 34.13 27.98 1ipg s GLU 63 CO 0.73 -3.00 1.47 -0.89 -0.54 0.00 0.00 175.26 173.02 1ipg n ILE 64 N 7.52 0.07 -1.63 -3.70 -0.00 0.35 -4.78 119.36 117.20 1ipg n ILE 64 Ca 0.34 -0.01 0.00 0.00 -0.00 0.00 0.00 62.75 63.08 1ipg n ILE 64 Cb 0.49 -0.60 0.00 0.00 -0.00 0.00 0.00 39.64 39.52 1ipg n ILE 64 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 1ipg n LYS 65 N 3.53 0.00 -3.74 0.38 5.02 -1.26 -4.49 118.16 117.60 1ipg n LYS 65 Ca 0.25 -0.39 -0.14 0.00 -2.02 0.00 0.00 58.31 56.01 1ipg n LYS 65 Cb 0.05 -0.29 -0.09 0.00 -0.02 0.00 0.00 35.03 34.69 1ipg n LYS 65 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1ipg s THR 66 N 0.00 0.05 0.63 -0.18 -4.23 -1.26 -5.00 115.64 105.65 1ipg s THR 66 Ca 0.00 -0.39 0.23 0.00 -1.18 0.00 0.00 61.69 60.35 1ipg s THR 66 Cb 0.00 -0.64 0.27 0.00 1.34 0.00 0.00 72.50 73.48 1ipg s THR 66 CO 0.00 -0.22 1.62 0.44 -0.54 0.00 0.00 174.62 175.93 1ipg h ASP 67 N 3.95 0.00 0.20 3.99 3.32 -1.93 0.35 116.42 126.29 1ipg h ASP 67 Ca -0.29 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.49 1ipg h ASP 67 Cb 1.17 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.75 1ipg h ASP 67 CO 0.39 0.00 -1.21 -1.28 -1.72 0.00 0.00 179.24 175.42 1ipg h SER 68 N 0.00 0.65 -0.77 6.45 0.87 -1.95 -1.61 113.55 117.18 1ipg h SER 68 Ca 0.14 -0.93 -0.02 0.00 -1.23 0.00 0.00 61.79 59.75 1ipg h SER 68 Cb 1.45 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 63.16 1ipg h SER 68 CO -0.00 1.58 0.42 1.56 -0.53 0.00 0.00 176.83 179.85 1ipg h GLN 69 N -0.11 1.09 -0.01 2.24 1.08 -0.72 0.18 115.11 118.87 1ipg h GLN 69 Ca -0.22 -0.13 -0.01 0.00 -1.45 0.00 0.00 58.65 56.85 1ipg h GLN 69 Cb 1.92 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 29.13 1ipg h GLN 69 CO 0.20 0.80 -0.02 0.28 -0.95 0.00 0.00 178.83 179.15 1ipg h VAL 70 N 1.10 1.45 0.00 -0.54 2.07 -1.47 -0.73 116.25 118.13 1ipg h VAL 70 Ca 0.28 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.44 1ipg h VAL 70 Cb 0.04 2.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1ipg h VAL 70 CO -0.04 0.36 0.00 0.28 0.02 0.00 0.00 177.57 178.18 1ipg h SER 71 N -0.54 0.00 0.13 0.57 0.02 -1.02 0.38 113.55 113.09 1ipg h SER 71 Ca 0.00 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.71 1ipg h SER 71 Cb 0.59 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.14 1ipg h SER 71 CO 0.00 0.00 -1.16 -1.13 -1.14 0.00 0.00 176.83 173.41 1ipg h ASN 72 N 0.00 0.44 0.57 3.07 -1.24 -0.33 -0.78 115.58 117.32 1ipg h ASN 72 Ca 0.00 -0.90 0.00 0.00 0.71 0.00 0.00 56.30 56.11 1ipg h ASN 72 Cb 0.10 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.01 1ipg h ASN 72 CO 0.00 1.53 0.00 -0.38 -1.29 0.00 0.00 177.43 177.29 1ipg n ILE 73 N -4.00 0.90 0.05 2.57 -0.00 -0.30 -0.65 119.36 117.94 1ipg n ILE 73 Ca -0.20 0.32 -0.22 0.00 -0.00 0.00 0.00 62.75 62.65 1ipg n ILE 73 Cb 0.88 -1.25 -0.15 0.00 -0.00 0.00 0.00 39.64 39.12 1ipg n ILE 73 CO 0.00 0.00 0.00 0.40 -0.00 0.00 0.00 176.55 176.95 1ipg h ILE 74 N 0.00 1.04 0.00 1.39 2.04 -0.17 0.16 117.51 121.97 1ipg h ILE 74 Ca 0.00 -2.49 0.00 0.00 1.00 0.00 0.00 64.86 63.37 1ipg h ILE 74 Cb 0.29 2.80 0.00 0.00 -0.74 0.00 0.00 36.82 39.17 1ipg h ILE 74 CO 0.00 0.79 -0.17 1.56 0.00 0.00 0.00 178.15 180.33 1ipg h GLN 75 N -0.08 0.00 -0.01 2.37 4.20 -0.49 -3.27 115.11 117.84 1ipg h GLN 75 Ca -0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.40 1ipg h GLN 75 Cb 1.95 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.73 1ipg h GLN 75 CO 0.14 0.00 -0.02 0.00 -0.67 0.00 0.00 178.83 178.28 1ipg n ALA 76 N -1.95 2.50 -3.31 3.87 0.00 0.18 -5.04 120.51 116.75 1ipg n ALA 76 Ca 0.04 -0.51 -0.27 0.00 0.00 0.00 0.00 53.44 52.70 1ipg n ALA 76 Cb 0.48 -0.17 0.03 0.00 0.00 0.00 0.00 19.45 19.79 1ipg n ALA 76 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ipg n LYS 77 N 0.17 -1.90 -4.37 0.00 4.81 0.48 -4.94 118.16 112.41 1ipg n LYS 77 Ca 0.03 1.55 -0.34 0.00 -0.87 0.00 0.00 58.31 58.67 1ipg n LYS 77 Cb 0.12 -2.80 -0.10 0.00 0.02 0.00 0.00 35.03 32.27 1ipg n LYS 77 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1ipg s LEU 78 N -2.29 3.49 0.16 3.14 2.01 -0.77 -5.01 118.68 119.40 1ipg s LEU 78 Ca 0.30 0.06 -0.31 0.00 0.01 0.00 0.00 54.13 54.18 1ipg s LEU 78 Cb -0.04 -1.81 -0.10 0.00 0.01 0.00 0.00 46.19 44.25 1ipg s LEU 78 CO 0.75 0.31 1.54 -0.54 1.01 0.00 0.00 176.35 179.42 1ipg s LYS 79 N -0.46 4.23 0.01 1.70 1.02 -1.26 -4.53 119.74 120.46 1ipg s LYS 79 Ca 0.08 2.31 -0.03 0.00 0.02 0.00 0.00 55.97 58.36 1ipg s LYS 79 Cb -0.12 -3.17 -0.04 0.00 -0.52 0.00 0.00 37.83 33.98 1ipg s LYS 79 CO 0.02 -0.58 0.20 0.42 -0.92 0.00 0.00 175.35 174.50 1ipg s ILE 80 N 1.12 5.40 -0.12 2.17 -1.09 -0.06 0.28 121.20 128.90 1ipg s ILE 80 Ca 0.69 -0.17 -0.00 0.00 -2.23 0.00 0.00 60.65 58.93 1ipg s ILE 80 Cb -0.43 -3.57 -0.02 0.00 -1.58 0.00 0.00 42.46 36.87 1ipg s ILE 80 CO 0.31 0.28 -0.11 -0.44 -1.23 0.00 0.00 174.94 173.75 1ipg s SER 81 N -2.06 4.22 -0.15 3.58 0.01 -0.48 0.16 113.70 118.98 1ipg s SER 81 Ca 0.29 -0.25 -0.01 0.00 1.31 0.00 0.00 55.95 57.30 1ipg s SER 81 Cb -0.13 -1.52 -0.01 0.00 0.21 0.00 0.00 66.02 64.57 1ipg s SER 81 CO 0.21 0.20 -0.11 -0.69 0.41 0.00 0.00 173.24 173.26 1ipg s VAL 82 N 0.14 3.11 0.26 3.43 1.01 -0.58 -1.59 120.40 126.18 1ipg s VAL 82 Ca -0.05 -0.63 0.11 0.00 0.00 0.00 0.00 61.98 61.41 1ipg s VAL 82 Cb -0.15 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 1ipg s VAL 82 CO 0.04 0.50 -0.14 -1.00 0.00 0.00 0.00 175.10 174.50 1ipg s HIS 83 N 0.63 2.43 -0.10 5.22 3.76 -0.61 -2.41 115.29 124.20 1ipg s HIS 83 Ca -0.06 -0.29 -0.18 0.00 -0.15 0.00 0.00 55.06 54.37 1ipg s HIS 83 Cb -0.15 -1.08 -0.04 0.00 1.11 0.00 0.00 32.58 32.41 1ipg s HIS 83 CO 0.03 0.66 0.48 -0.51 -0.85 0.00 0.00 174.74 174.55 1ipg s ASP 84 N -3.43 6.72 0.00 1.40 1.01 -1.26 -1.47 116.67 119.63 1ipg s ASP 84 Ca 0.29 0.85 0.00 0.00 0.71 0.00 0.00 52.55 54.40 1ipg s ASP 84 Cb -0.06 -2.29 0.00 0.00 1.01 0.00 0.00 42.92 41.58 1ipg s ASP 84 CO 0.16 0.03 0.09 2.30 0.21 0.00 0.00 175.17 177.96