#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bod h LYS 1 N 0.00 -0.32 -3.67 0.03 1.63 -2.05 -3.47 116.57 108.72 1bod h LYS 1 Ca 0.00 0.02 -0.21 0.00 -0.85 0.00 0.00 60.65 59.61 1bod h LYS 1 Cb 0.00 0.07 -0.26 0.00 -0.60 0.00 0.00 32.23 31.44 1bod h LYS 1 CO 0.00 -0.21 -0.67 -1.54 -3.45 0.00 0.00 179.45 173.58 1bod s SER 2 N -4.46 -0.00 0.22 4.20 1.04 -1.26 -5.04 113.70 108.40 1bod s SER 2 Ca -0.05 -0.00 -0.06 0.00 0.48 0.00 0.00 55.95 56.32 1bod s SER 2 Cb 0.00 0.09 0.20 0.00 0.10 0.00 0.00 66.02 66.42 1bod s SER 2 CO 0.15 -0.07 1.77 1.55 0.98 0.00 0.00 173.24 177.62 1bod h PRO 3 N 5.82 1.10 -0.96 4.02 0.13 -2.07 -2.35 132.00 137.70 1bod h PRO 3 Ca -0.26 -0.23 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 1bod h PRO 3 Cb 1.21 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 1bod h PRO 3 CO 0.47 0.94 0.03 0.39 -0.23 0.00 0.00 178.00 179.59 1bod n GLU 4 N -4.26 1.45 0.00 0.86 1.02 -1.26 -4.10 120.64 114.35 1bod n GLU 4 Ca 0.06 -0.45 0.07 0.00 -0.02 0.00 0.00 57.16 56.82 1bod n GLU 4 Cb 0.22 -1.48 0.40 0.00 -0.02 0.00 0.00 31.44 30.57 1bod n GLU 4 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1bod n GLU 5 N 0.14 0.30 0.05 3.49 0.00 -0.89 -2.81 120.64 120.92 1bod n GLU 5 Ca 0.05 0.10 -0.22 0.00 0.00 0.00 0.00 57.16 57.09 1bod n GLU 5 Cb 0.47 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 30.27 1bod n GLU 5 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1bod h LEU 6 N 0.00 0.51 -1.98 4.31 -0.00 -1.85 -3.26 115.31 113.05 1bod h LEU 6 Ca 0.00 -0.90 0.19 0.00 -0.00 0.00 0.00 57.88 57.16 1bod h LEU 6 Cb 0.10 -0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 40.56 1bod h LEU 6 CO 0.00 1.61 0.47 0.50 -0.00 0.00 0.00 178.44 181.02 1bod h LYS 7 N -0.19 0.02 -4.78 1.13 3.11 -1.86 -3.25 116.57 110.75 1bod h LYS 7 Ca -0.26 -0.00 -0.71 0.00 -2.81 0.00 0.00 60.65 56.87 1bod h LYS 7 Cb 1.85 -0.00 -0.09 0.00 -1.00 0.00 0.00 32.23 32.98 1bod h LYS 7 CO 0.13 0.01 2.36 0.41 -2.81 0.00 0.00 179.45 179.55 1bod n GLY 8 N -1.66 3.58 0.00 5.01 0.00 -1.23 -4.06 105.19 106.83 1bod n GLY 8 Ca 0.13 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1bod n GLY 8 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1bod n ILE 9 N 5.30 0.00 -0.01 -0.61 3.06 -1.22 -4.99 119.36 120.88 1bod n ILE 9 Ca 0.47 0.00 -0.00 0.00 -2.50 0.00 0.00 62.75 60.71 1bod n ILE 9 Cb 0.42 0.00 -0.00 0.00 0.54 0.00 0.00 39.64 40.60 1bod n ILE 9 CO 0.00 0.00 0.00 0.15 -2.50 0.00 0.00 176.55 174.20 1bod h PHE 10 N 0.00 -0.07 -0.97 9.51 3.04 -1.74 0.21 116.94 126.92 1bod h PHE 10 Ca 0.00 0.00 0.34 0.00 3.98 0.00 0.00 57.97 62.30 1bod h PHE 10 Cb 0.00 0.03 -0.18 0.00 2.56 0.00 0.00 35.95 38.37 1bod h PHE 10 CO 0.00 -0.01 0.29 0.39 -2.02 0.00 0.00 178.31 176.96 1bod n GLU 11 N -3.02 -0.07 -0.13 1.11 1.02 -1.26 0.13 120.64 118.43 1bod n GLU 11 Ca 0.00 1.39 -0.10 0.00 -0.02 0.00 0.00 57.16 58.43 1bod n GLU 11 Cb 0.01 -2.36 -0.01 0.00 -0.02 0.00 0.00 31.44 29.06 1bod n GLU 11 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 1bod h LYS 12 N 0.00 0.62 0.00 3.49 5.09 -0.92 -1.42 116.57 123.43 1bod h LYS 12 Ca 0.72 -0.15 0.00 0.00 0.09 0.00 0.00 60.65 61.30 1bod h LYS 12 Cb 1.74 -0.08 0.00 0.00 0.10 0.00 0.00 32.23 33.99 1bod h LYS 12 CO -0.82 0.66 0.00 0.66 -2.09 0.00 0.00 179.45 177.86 1bod n TYR 13 N -4.57 0.00 -1.12 0.07 4.02 0.35 -3.27 117.16 112.65 1bod n TYR 13 Ca -0.01 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.71 1bod n TYR 13 Cb 0.21 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.47 1bod n TYR 13 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1bod n ASP 15 N -0.96 5.99 -1.39 7.72 -0.08 -0.54 -4.63 116.55 122.66 1bod n ASP 15 Ca 0.08 -2.88 0.00 0.00 -1.51 0.00 0.00 54.79 50.48 1bod n ASP 15 Cb 0.04 -1.24 0.00 0.00 2.34 0.00 0.00 41.12 42.26 1bod n ASP 15 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1bod n LYS 16 N 1.31 0.98 0.00 -0.67 5.02 -1.20 -3.53 118.16 120.07 1bod n LYS 16 Ca 0.38 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 1bod n LYS 16 Cb 0.66 -1.01 0.00 0.00 -0.02 0.00 0.00 35.03 34.66 1bod n LYS 16 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1bod n GLU 17 N 1.28 0.12 -0.29 1.97 2.13 -1.26 -5.06 120.64 119.53 1bod n GLU 17 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1bod n GLU 17 Cb 0.49 -0.93 0.00 0.00 0.27 0.00 0.00 31.44 31.27 1bod n GLU 17 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1bod n GLY 18 N 3.19 0.76 0.00 8.31 0.00 -1.23 -5.02 105.19 111.19 1bod n GLY 18 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1bod n GLY 18 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bod n ASP 19 N 0.04 0.56 0.00 1.61 9.92 -1.26 -5.00 116.55 122.42 1bod n ASP 19 Ca 0.00 -1.04 0.00 0.00 -0.53 0.00 0.00 54.79 53.22 1bod n ASP 19 Cb 0.06 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.54 1bod n ASP 19 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1bod n GLY 20 N -0.02 2.26 0.44 0.44 0.00 -1.26 -4.92 105.19 102.13 1bod n GLY 20 Ca 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 46.02 45.81 1bod n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bod n GLN 22 N 0.00 1.15 -5.18 1.61 -0.00 -1.26 -4.26 117.38 109.44 1bod n GLN 22 Ca 0.00 -0.45 -0.31 0.00 -0.00 0.00 0.00 57.00 56.24 1bod n GLN 22 Cb 0.00 0.21 -0.17 0.00 -0.00 0.00 0.00 30.24 30.28 1bod n GLN 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1bod s LEU 23 N 0.00 2.04 0.64 2.61 1.43 -0.24 -4.87 118.68 120.30 1bod s LEU 23 Ca 0.02 -0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 52.50 1bod s LEU 23 Cb 0.00 -1.33 -0.03 0.00 0.03 0.00 0.00 46.19 44.86 1bod s LEU 23 CO 0.01 0.18 1.04 -0.55 0.23 0.00 0.00 176.35 177.27 1bod s SER 24 N 0.15 6.00 0.57 2.29 0.15 -1.26 -2.35 113.70 119.26 1bod s SER 24 Ca -0.12 1.47 0.20 0.00 0.70 0.00 0.00 55.95 58.21 1bod s SER 24 Cb -0.16 -2.48 1.10 0.00 -1.71 0.00 0.00 66.02 62.78 1bod s SER 24 CO 0.06 -1.02 1.59 0.11 1.20 0.00 0.00 173.24 175.18 1bod h LYS 25 N -0.42 0.00 -0.79 5.44 1.57 -1.98 0.97 116.57 121.36 1bod h LYS 25 Ca -0.44 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.44 1bod h LYS 25 Cb 1.20 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.43 1bod h LYS 25 CO 0.61 0.00 0.43 0.93 -0.57 0.00 0.00 179.45 180.85 1bod h GLU 26 N 0.00 0.69 0.00 3.15 5.08 -1.99 -0.68 114.58 120.82 1bod h GLU 26 Ca 0.00 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1bod h GLU 26 Cb 0.89 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1bod h GLU 26 CO 0.00 0.45 -0.98 0.93 -1.00 0.00 0.00 179.01 178.41 1bod h GLU 27 N 0.71 0.00 0.00 2.33 5.08 -1.11 -3.37 114.58 118.21 1bod h GLU 27 Ca 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 1bod h GLU 27 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1bod h GLU 27 CO -0.27 0.07 -0.04 1.25 -1.00 0.00 0.00 179.01 179.02 1bod h LEU 28 N 0.00 0.00 -1.35 1.33 5.85 -1.12 -2.99 115.31 117.02 1bod h LEU 28 Ca -0.03 0.00 0.34 0.00 0.84 0.00 0.00 57.88 59.02 1bod h LEU 28 Cb 1.13 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.12 1bod h LEU 28 CO 0.01 0.47 1.18 0.50 -0.34 0.00 0.00 178.44 180.25 1bod h LYS 29 N -0.89 0.00 0.06 1.25 3.64 -1.37 0.91 116.57 120.17 1bod h LYS 29 Ca 0.00 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 1bod h LYS 29 Cb 0.04 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1bod h LYS 29 CO 0.00 0.00 -0.41 -0.07 -2.27 0.00 0.00 179.45 176.70 1bod h LEU 30 N 0.00 0.26 -1.46 5.20 3.38 -1.73 -2.97 115.31 117.99 1bod h LEU 30 Ca 0.55 -0.93 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 1bod h LEU 30 Cb 2.90 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 43.54 1bod h LEU 30 CO -0.01 1.17 0.24 0.25 0.09 0.00 0.00 178.44 180.18 1bod h LEU 31 N -0.61 0.54 -0.15 1.67 6.46 0.97 -2.58 115.31 121.61 1bod h LEU 31 Ca -0.07 -0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 57.61 1bod h LEU 31 Cb 1.28 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 41.07 1bod h LEU 31 CO 0.08 0.44 -0.10 -0.07 -0.62 0.00 0.00 178.44 178.17 1bod h LEU 32 N 0.62 0.34-10.20 2.25 4.07 -1.35 -3.23 115.31 107.81 1bod h LEU 32 Ca 0.16 -0.44 -0.47 0.00 0.08 0.00 0.00 57.88 57.20 1bod h LEU 32 Cb 0.02 -0.10 0.02 0.00 1.08 0.00 0.00 40.66 41.68 1bod h LEU 32 CO -0.03 0.71 0.38 0.00 -1.08 0.00 0.00 178.44 178.42 1bod s GLN 33 N -4.45 3.92 0.00 1.13 -2.07 -0.97 -1.44 119.66 115.78 1bod s GLN 33 Ca -0.14 0.95 0.00 0.00 -1.82 0.00 0.00 55.36 54.35 1bod s GLN 33 Cb 0.05 -2.13 0.00 0.00 -1.09 0.00 0.00 33.01 29.84 1bod s GLN 33 CO 0.74 -0.29 0.00 2.41 -1.32 0.00 0.00 175.29 176.83 1bod n THR 34 N -1.65 0.00 -0.06 3.63 -1.04 -1.26 -4.27 114.28 109.63 1bod n THR 34 Ca 0.07 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.91 1bod n THR 34 Cb 0.54 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.91 1bod n THR 34 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1bod n GLU 35 N 0.00 0.69 -3.03 -2.82 4.71 -1.26 -4.56 120.64 114.37 1bod n GLU 35 Ca 0.00 0.19 -0.29 0.00 -0.01 0.00 0.00 57.16 57.05 1bod n GLU 35 Cb 0.00 -1.63 -0.04 0.00 -1.01 0.00 0.00 31.44 28.76 1bod n GLU 35 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 1bod n PHE 36 N -3.24 3.80 -0.01 -0.32 3.72 -0.52 -4.85 117.46 116.04 1bod n PHE 36 Ca -0.35 -3.87 -0.13 0.00 -0.05 0.00 0.00 57.45 53.05 1bod n PHE 36 Cb 1.04 -0.59 -0.10 0.00 -0.94 0.00 0.00 39.48 38.89 1bod n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1bod h PRO 37 N 3.45 -0.02 -0.92 -1.08 0.13 -1.71 -3.06 132.00 128.79 1bod h PRO 37 Ca 0.18 0.00 0.37 0.00 -0.87 0.00 0.00 66.00 65.69 1bod h PRO 37 Cb 0.53 0.01 -0.17 0.00 0.13 0.00 0.00 31.00 31.50 1bod h PRO 37 CO 0.87 0.48 0.45 0.43 -0.23 0.00 0.00 178.00 180.00 1bod n SER 38 N -4.86 0.28 -0.07 1.44 7.64 -1.26 0.18 113.62 116.97 1bod n SER 38 Ca -0.09 1.53 -0.14 0.00 1.01 0.00 0.00 58.87 61.18 1bod n SER 38 Cb 0.26 -0.73 -0.12 0.00 -1.01 0.00 0.00 64.21 62.61 1bod n SER 38 CO 0.00 0.00 0.00 0.17 -3.01 0.00 0.00 175.04 172.20 1bod h LEU 39 N 0.00 0.00 -3.24 -3.43 -0.00 -1.90 -3.31 115.31 103.43 1bod h LEU 39 Ca 0.76 -0.86 -0.29 0.00 -0.00 0.00 0.00 57.88 57.48 1bod h LEU 39 Cb 1.99 0.00 -0.15 0.00 -0.00 0.00 0.00 40.66 42.50 1bod h LEU 39 CO -0.72 1.04 0.38 -0.11 -0.00 0.00 0.00 178.44 179.03 1bod n LEU 40 N -4.59 5.70 -3.07 0.17 7.94 0.52 -4.01 117.00 119.66 1bod n LEU 40 Ca -0.13 -2.94 -0.27 0.00 -1.11 0.00 0.00 56.01 51.56 1bod n LEU 40 Cb 0.48 -0.87 -0.05 0.00 0.53 0.00 0.00 43.42 43.51 1bod n LEU 40 CO 0.30 1.01 0.13 1.17 -1.11 0.00 0.00 177.39 178.89 1bod n LYS 41 N 0.03 3.04 0.00 1.96 4.81 0.49 -4.82 118.16 123.67 1bod n LYS 41 Ca 0.30 -4.80 0.00 0.00 -0.87 0.00 0.00 58.31 52.93 1bod n LYS 41 Cb 0.81 -2.24 0.00 0.00 0.02 0.00 0.00 35.03 33.62 1bod n LYS 41 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1bod n GLY 42 N 0.04 3.19 3.10 3.14 0.00 -1.26 -4.92 105.19 108.46 1bod n GLY 42 Ca 0.31 -0.64 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 1bod n GLY 42 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1bod n MET 43 N 0.00 0.86 -3.30 1.61 0.00 -1.26 -4.83 117.12 110.20 1bod n MET 43 Ca 0.00 -2.88 -0.13 0.00 0.00 0.00 0.00 57.70 54.69 1bod n MET 43 Cb 0.00 0.42 0.01 0.00 0.00 0.00 0.00 33.22 33.65 1bod n MET 43 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1bod n SER 44 N -1.72 -6.67 -4.83 3.17 2.88 -1.26 -4.21 113.62 100.98 1bod n SER 44 Ca -0.05 -0.27 -0.36 0.00 -1.33 0.00 0.00 58.87 56.86 1bod n SER 44 Cb 0.52 -3.81 -0.07 0.00 -0.75 0.00 0.00 64.21 60.10 1bod n SER 44 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1bod s THR 45 N -2.77 5.35 0.00 2.46 -4.23 -1.11 -4.45 115.64 110.88 1bod s THR 45 Ca 0.08 0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.74 1bod s THR 45 Cb -0.01 -3.34 0.00 0.00 1.34 0.00 0.00 72.50 70.49 1bod s THR 45 CO 0.81 0.59 0.00 0.18 -0.54 0.00 0.00 174.62 175.66 1bod n LEU 46 N 2.26 0.00 -1.42 4.79 4.32 -1.26 0.20 117.00 125.89 1bod n LEU 46 Ca -0.19 0.00 -0.07 0.00 -0.02 0.00 0.00 56.01 55.73 1bod n LEU 46 Cb 0.54 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 42.38 1bod n LEU 46 CO 0.32 0.00 0.82 0.47 -1.22 0.00 0.00 177.39 177.77 1bod n ASP 47 N 0.05 3.97 -3.09 -1.43 8.00 -1.26 -3.85 116.55 118.93 1bod n ASP 47 Ca 0.00 -2.51 -0.18 0.00 0.71 0.00 0.00 54.79 52.81 1bod n ASP 47 Cb 0.00 -0.73 -0.02 0.00 -0.02 0.00 0.00 41.12 40.35 1bod n ASP 47 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1bod n GLU 48 N 0.31 0.87 0.00 -1.24 -0.58 0.53 -4.48 120.64 116.05 1bod n GLU 48 Ca 0.15 -3.00 0.00 0.00 -0.42 0.00 0.00 57.16 53.89 1bod n GLU 48 Cb 0.73 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 30.15 1bod n GLU 48 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 1bod n LEU 49 N 0.78 0.00 -0.07 -4.62 -0.00 -1.26 -2.73 117.00 109.11 1bod n LEU 49 Ca 0.20 0.00 -0.15 0.00 -0.00 0.00 0.00 56.01 56.06 1bod n LEU 49 Cb 0.62 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.91 1bod n LEU 49 CO 0.16 0.00 0.25 0.15 -0.00 0.00 0.00 177.39 177.95 1bod h PHE 50 N 0.00 0.03 0.00 1.47 3.57 -1.86 -3.24 116.94 116.92 1bod h PHE 50 Ca 0.00 -0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.35 1bod h PHE 50 Cb 0.00 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 1bod h PHE 50 CO 0.00 1.08 -0.73 1.05 -2.23 0.00 0.00 178.31 177.48 1bod h GLU 51 N -0.96 0.00 -0.08 1.11 4.11 -1.84 -1.81 114.58 115.11 1bod h GLU 51 Ca -0.05 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.35 1bod h GLU 51 Cb 1.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1bod h GLU 51 CO -0.02 0.50 -0.05 0.93 0.07 0.00 0.00 179.01 180.44 1bod h GLU 52 N 0.00 0.11 0.00 1.06 4.39 -1.80 -3.31 114.58 115.03 1bod h GLU 52 Ca -0.04 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1bod h GLU 52 Cb 1.46 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.09 1bod h GLU 52 CO 0.07 0.18 -0.02 -0.11 -1.16 0.00 0.00 179.01 177.96 1bod n LEU 53 N -4.41 0.00 0.00 1.33 -0.00 -1.22 -4.90 117.00 107.79 1bod n LEU 53 Ca -0.02 -0.06 0.00 0.00 -0.00 0.00 0.00 56.01 55.93 1bod n LEU 53 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.59 1bod n LEU 53 CO 0.36 0.00 0.07 -0.67 -0.00 0.00 0.00 177.39 177.15 1bod n ASP 54 N -0.16 0.29 -3.71 1.96 -0.08 -0.71 -4.88 116.55 109.26 1bod n ASP 54 Ca 0.00 -0.62 -0.42 0.00 -1.51 0.00 0.00 54.79 52.24 1bod n ASP 54 Cb 0.00 0.51 -0.01 0.00 2.34 0.00 0.00 41.12 43.96 1bod n ASP 54 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1bod n LYS 55 N -0.51 2.65 0.00 -0.67 4.76 -1.03 -4.46 118.16 118.91 1bod n LYS 55 Ca 0.00 -2.49 0.15 0.00 -2.87 0.00 0.00 58.31 53.10 1bod n LYS 55 Cb 0.02 -3.23 0.89 0.00 -1.84 0.00 0.00 35.03 30.86 1bod n LYS 55 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1bod n ASN 56 N 6.30 0.00 0.00 4.39 3.02 -1.26 -4.79 115.26 122.92 1bod n ASN 56 Ca 0.52 -0.98 0.00 0.00 -0.03 0.00 0.00 54.58 54.09 1bod n ASN 56 Cb 0.39 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.56 1bod n ASN 56 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bod n GLY 57 N 0.90 0.69 1.16 7.41 0.00 -1.26 -5.06 105.19 109.03 1bod n GLY 57 Ca 0.22 -0.44 -0.02 0.00 0.00 0.00 0.00 46.02 45.79 1bod n GLY 57 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1bod n ASP 58 N 0.00 -0.05 -1.69 1.61 2.03 -1.26 -5.00 116.55 112.19 1bod n ASP 58 Ca 0.00 -1.95 -0.03 0.00 0.52 0.00 0.00 54.79 53.33 1bod n ASP 58 Cb 0.00 0.01 -0.01 0.00 -0.72 0.00 0.00 41.12 40.40 1bod n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1bod n GLY 59 N 0.21 -0.23 3.29 0.27 0.00 -1.26 -4.78 105.19 102.70 1bod n GLY 59 Ca -0.11 0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 1bod n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bod s GLU 60 N -2.61 0.96 -0.30 1.61 2.02 -1.26 -4.68 118.70 114.44 1bod s GLU 60 Ca 0.07 -0.61 -0.03 0.00 0.02 0.00 0.00 54.97 54.42 1bod s GLU 60 Cb -0.04 0.42 0.10 0.00 0.10 0.00 0.00 34.13 34.71 1bod s GLU 60 CO 0.08 -0.35 0.13 0.08 0.02 0.00 0.00 175.26 175.23 1bod s VAL 61 N -3.25 0.09 0.00 2.63 1.01 -0.99 -4.77 120.40 115.12 1bod s VAL 61 Ca -0.00 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.03 1bod s VAL 61 Cb 0.01 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 35.30 1bod s VAL 61 CO -0.08 -0.75 0.00 -1.54 0.00 0.00 0.00 175.10 172.73 1bod n SER 62 N 5.07 -0.26 0.08 3.32 3.41 -1.26 -1.08 113.62 122.90 1bod n SER 62 Ca -0.04 -0.49 -0.22 0.00 -0.26 0.00 0.00 58.87 57.87 1bod n SER 62 Cb 0.41 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.22 1bod n SER 62 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1bod h PHE 63 N -0.83 0.79 0.00 7.33 3.57 -1.94 -2.28 116.94 123.58 1bod h PHE 63 Ca 0.00 -0.53 -0.10 0.00 3.53 0.00 0.00 57.97 60.86 1bod h PHE 63 Cb 0.00 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1bod h PHE 63 CO 0.00 1.40 -0.49 0.93 -2.23 0.00 0.00 178.31 177.92 1bod h GLU 64 N -0.04 0.00 -0.44 1.11 5.08 -1.95 3.65 114.58 121.98 1bod h GLU 64 Ca -0.17 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.07 1bod h GLU 64 Cb 1.80 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.04 1bod h GLU 64 CO 0.20 0.49 -0.18 0.93 -1.00 0.00 0.00 179.01 179.44 1bod h GLU 65 N 0.00 0.91 0.00 2.33 4.39 -1.93 -0.30 114.58 119.99 1bod h GLU 65 Ca -0.00 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1bod h GLU 65 Cb 1.31 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1bod h GLU 65 CO 0.06 1.04 0.00 0.34 -1.16 0.00 0.00 179.01 179.29 1bod n PHE 66 N -4.19 0.47 0.00 4.33 -0.00 -0.86 -4.23 117.46 112.99 1bod n PHE 66 Ca -0.01 0.16 0.00 0.00 -0.00 0.00 0.00 57.45 57.61 1bod n PHE 66 Cb 0.43 -0.77 0.00 0.00 -0.00 0.00 0.00 39.48 39.14 1bod n PHE 66 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.76 177.70 1bod n GLN 67 N -1.91 0.00 0.32 -4.13 0.00 1.20 0.12 117.38 112.98 1bod n GLN 67 Ca 0.04 0.28 0.11 0.00 -0.00 0.00 0.00 57.00 57.44 1bod n GLN 67 Cb 0.28 -0.87 0.61 0.00 0.00 0.00 0.00 30.24 30.26 1bod n GLN 67 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.06 176.67 1bod h VAL 68 N 0.00 0.00 -0.15 1.69 -1.51 -1.74 -1.04 116.25 113.50 1bod h VAL 68 Ca 0.00 0.00 0.04 0.00 -1.23 0.00 0.00 66.70 65.51 1bod h VAL 68 Cb 0.00 0.50 -0.07 0.00 -2.13 0.00 0.00 31.29 29.59 1bod h VAL 68 CO 0.00 0.00 -0.44 0.25 -1.23 0.00 0.00 177.57 176.15 1bod h LEU 69 N 0.00 -1.39 -0.80 4.19 5.85 -0.49 0.48 115.31 123.14 1bod h LEU 69 Ca 0.00 0.18 0.09 0.00 0.84 0.00 0.00 57.88 58.99 1bod h LEU 69 Cb 0.91 0.56 -0.07 0.00 0.37 0.00 0.00 40.66 42.44 1bod h LEU 69 CO 0.00 -0.43 0.46 -0.37 -0.34 0.00 0.00 178.44 177.75 1bod h VAL 70 N -0.50 0.91 0.00 1.05 -1.51 -0.83 0.19 116.25 115.57 1bod h VAL 70 Ca 0.07 -0.26 -0.01 0.00 -1.23 0.00 0.00 66.70 65.27 1bod h VAL 70 Cb 0.63 0.07 -0.00 0.00 -2.13 0.00 0.00 31.29 29.87 1bod h VAL 70 CO -0.42 0.14 -0.04 0.11 -1.23 0.00 0.00 177.57 176.14 1bod h LYS 71 N 0.77 0.00 0.00 5.19 1.57 -1.17 -1.46 116.57 121.47 1bod h LYS 71 Ca 0.39 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.12 1bod h LYS 71 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1bod h LYS 71 CO -0.24 0.04 -0.21 -0.22 -0.57 0.00 0.00 179.45 178.25 1bod h LYS 72 N 0.00 0.00 -1.89 3.15 1.63 0.29 -3.25 116.57 116.50 1bod h LYS 72 Ca -0.00 0.00 -0.20 0.00 -0.85 0.00 0.00 60.65 59.60 1bod h LYS 72 Cb 0.50 0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 32.05 1bod h LYS 72 CO 0.00 0.21 0.04 -0.89 -3.45 0.00 0.00 179.45 175.37 1bod n ILE 73 N -3.16 2.65 -2.33 2.00 5.41 -0.55 -4.81 119.36 118.57 1bod n ILE 73 Ca 0.03 -1.40 0.00 0.00 1.00 0.00 0.00 62.75 62.38 1bod n ILE 73 Cb 0.60 -1.62 0.00 0.00 -0.71 0.00 0.00 39.64 37.91 1bod n ILE 73 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1bod n SER 74 N 1.43 0.00 0.00 4.38 2.88 -1.23 -5.05 113.62 116.03 1bod n SER 74 Ca 0.26 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1bod n SER 74 Cb 0.64 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 1bod n SER 74 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81