#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bod n LYS 1 N 0.00 -0.93 -4.10 0.03 2.85 -1.26 -4.90 118.16 109.85 1bod n LYS 1 Ca 0.00 0.09 -0.11 0.00 -1.05 0.00 0.00 58.31 57.24 1bod n LYS 1 Cb 0.00 -3.43 -0.11 0.00 -0.65 0.00 0.00 35.03 30.85 1bod n LYS 1 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1bod s SER 2 N -4.19 0.84 0.54 -5.58 1.04 -1.26 -5.02 113.70 100.07 1bod s SER 2 Ca 0.07 -0.78 0.29 0.00 0.48 0.00 0.00 55.95 56.01 1bod s SER 2 Cb -0.04 0.09 1.51 0.00 0.10 0.00 0.00 66.02 67.68 1bod s SER 2 CO 0.93 -0.37 2.09 1.55 0.98 0.00 0.00 173.24 178.42 1bod h PRO 3 N 3.74 0.00 -0.04 4.02 0.13 -2.05 -1.41 132.00 136.40 1bod h PRO 3 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1bod h PRO 3 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1bod h PRO 3 CO 0.53 0.10 0.00 -0.85 -0.23 0.00 0.00 178.00 177.55 1bod n GLU 4 N -3.54 1.14 0.00 0.86 -0.00 -1.26 -3.35 120.64 114.49 1bod n GLU 4 Ca -0.02 -0.21 0.12 0.00 -0.00 0.00 0.00 57.16 57.05 1bod n GLU 4 Cb 0.23 -1.25 0.55 0.00 -0.00 0.00 0.00 31.44 30.97 1bod n GLU 4 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1bod n GLU 5 N -0.52 0.03 -0.02 3.44 2.13 -0.53 -0.85 120.64 124.32 1bod n GLU 5 Ca 0.12 0.06 -0.00 0.00 0.66 0.00 0.00 57.16 57.99 1bod n GLU 5 Cb 0.10 -1.50 -0.00 0.00 0.27 0.00 0.00 31.44 30.31 1bod n GLU 5 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1bod h LEU 6 N 0.00 0.00 -0.11 4.31 3.38 -1.78 -3.33 115.31 117.79 1bod h LEU 6 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1bod h LEU 6 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1bod h LEU 6 CO 0.00 0.16 0.00 1.17 0.09 0.00 0.00 178.44 179.86 1bod n LYS 7 N -2.79 0.02 0.00 1.13 0.00 -1.25 -1.64 118.16 113.63 1bod n LYS 7 Ca -0.01 0.41 0.13 0.00 0.00 0.00 0.00 58.31 58.84 1bod n LYS 7 Cb 0.03 -1.54 0.76 0.00 0.00 0.00 0.00 35.03 34.28 1bod n LYS 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1bod n GLY 8 N -0.85 -0.88 1.39 3.14 0.00 -0.03 -3.29 105.19 104.67 1bod n GLY 8 Ca 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1bod n GLY 8 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1bod n ILE 9 N -0.96 0.49 0.00 -0.61 -6.64 -0.65 -4.67 119.36 106.33 1bod n ILE 9 Ca 0.19 0.16 -0.10 0.00 -1.77 0.00 0.00 62.75 61.23 1bod n ILE 9 Cb 0.09 -1.17 -0.07 0.00 -1.44 0.00 0.00 39.64 37.05 1bod n ILE 9 CO 0.00 0.00 0.00 0.15 -1.77 0.00 0.00 176.55 174.93 1bod h PHE 10 N 0.00 -1.05 -0.96 4.28 3.57 -1.69 -1.02 116.94 120.06 1bod h PHE 10 Ca 0.00 0.04 0.28 0.00 3.53 0.00 0.00 57.97 61.82 1bod h PHE 10 Cb 0.24 0.47 -0.18 0.00 2.79 0.00 0.00 35.95 39.27 1bod h PHE 10 CO 0.00 -0.36 0.11 1.49 -2.23 0.00 0.00 178.31 177.32 1bod h GLU 11 N -0.40 0.04 -0.74 1.11 4.81 -1.82 0.97 114.58 118.55 1bod h GLU 11 Ca 0.02 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 1bod h GLU 11 Cb 0.45 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 1bod h GLU 11 CO -0.27 0.02 0.23 1.57 -0.73 0.00 0.00 179.01 179.83 1bod h LYS 12 N 0.04 1.15 0.00 1.92 5.09 -1.45 -1.11 116.57 122.20 1bod h LYS 12 Ca 0.61 -0.25 0.00 0.00 0.09 0.00 0.00 60.65 61.10 1bod h LYS 12 Cb 1.30 -0.17 0.00 0.00 0.10 0.00 0.00 32.23 33.47 1bod h LYS 12 CO -0.86 0.98 0.00 0.66 -2.09 0.00 0.00 179.45 178.14 1bod n TYR 13 N -4.26 0.00 -0.49 0.07 4.01 0.33 -3.58 117.16 113.24 1bod n TYR 13 Ca 0.06 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.73 1bod n TYR 13 Cb 0.23 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.28 1bod n TYR 13 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1bod n ASP 15 N -0.54 5.44 -1.85 7.72 2.03 -0.42 -4.58 116.55 124.35 1bod n ASP 15 Ca 0.01 -2.65 -0.09 0.00 0.52 0.00 0.00 54.79 52.58 1bod n ASP 15 Cb 0.01 -1.02 -0.08 0.00 -0.72 0.00 0.00 41.12 39.31 1bod n ASP 15 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1bod n LYS 16 N 0.85 1.65 0.00 -0.67 5.02 -1.23 -3.72 118.16 120.06 1bod n LYS 16 Ca 0.14 -0.79 0.00 0.00 -2.02 0.00 0.00 58.31 55.64 1bod n LYS 16 Cb 0.57 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 1bod n LYS 16 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1bod n GLU 17 N 1.85 0.68 -0.09 1.97 4.71 -1.26 -5.06 120.64 123.43 1bod n GLU 17 Ca 0.27 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.42 1bod n GLU 17 Cb 0.71 -0.90 0.00 0.00 -1.01 0.00 0.00 31.44 30.24 1bod n GLU 17 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1bod n GLY 18 N 2.96 0.93 0.61 0.62 0.00 -1.24 -5.01 105.19 104.06 1bod n GLY 18 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1bod n GLY 18 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bod n ASP 19 N 0.04 0.00 0.00 1.61 5.75 -1.26 -5.06 116.55 117.64 1bod n ASP 19 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1bod n ASP 19 Cb 0.02 0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 1bod n ASP 19 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bod n GLY 20 N 0.65 1.27 3.55 6.12 0.00 -1.26 -5.12 105.19 110.40 1bod n GLY 20 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1bod n GLY 20 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1bod s GLN 22 N 0.00 1.90 -0.12 1.61 -2.07 -1.26 -4.39 119.66 115.33 1bod s GLN 22 Ca 0.00 -2.13 -0.02 0.00 -1.82 0.00 0.00 55.36 51.39 1bod s GLN 22 Cb 0.00 -0.94 -0.03 0.00 -1.09 0.00 0.00 33.01 30.95 1bod s GLN 22 CO 0.00 -0.33 -0.04 -0.51 -1.32 0.00 0.00 175.29 173.09 1bod s LEU 23 N -3.63 3.28 0.71 2.60 1.43 -0.59 -4.74 118.68 117.75 1bod s LEU 23 Ca 0.25 -0.05 -0.11 0.00 -1.03 0.00 0.00 54.13 53.19 1bod s LEU 23 Cb 0.05 -1.76 0.02 0.00 0.03 0.00 0.00 46.19 44.53 1bod s LEU 23 CO 0.13 0.26 1.10 -0.55 0.23 0.00 0.00 176.35 177.52 1bod s SER 24 N -0.20 5.39 0.00 2.29 0.15 -1.26 -0.05 113.70 120.02 1bod s SER 24 Ca 0.04 1.13 0.00 0.00 0.70 0.00 0.00 55.95 57.82 1bod s SER 24 Cb -0.13 -1.92 0.00 0.00 -1.71 0.00 0.00 66.02 62.26 1bod s SER 24 CO 0.02 -1.38 0.92 0.29 1.20 0.00 0.00 173.24 174.30 1bod n LYS 25 N -3.03 0.00 -0.17 5.44 4.76 -1.26 -0.93 118.16 122.96 1bod n LYS 25 Ca 0.07 0.42 -0.03 0.00 -2.87 0.00 0.00 58.31 55.89 1bod n LYS 25 Cb 0.57 -1.58 0.16 0.00 -1.84 0.00 0.00 35.03 32.34 1bod n LYS 25 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1bod h GLU 26 N 0.00 0.93 0.00 1.97 4.39 -1.95 -0.50 114.58 119.41 1bod h GLU 26 Ca 0.00 -0.18 -0.09 0.00 0.34 0.00 0.00 59.36 59.43 1bod h GLU 26 Cb 0.16 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 1bod h GLU 26 CO 0.00 0.80 -1.21 0.93 -1.16 0.00 0.00 179.01 178.37 1bod h GLU 27 N 0.90 0.00 0.00 2.33 3.07 -1.36 -3.36 114.58 116.16 1bod h GLU 27 Ca 0.20 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.06 1bod h GLU 27 Cb 0.26 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1bod h GLU 27 CO -0.01 0.17 -0.05 1.25 -1.40 0.00 0.00 179.01 178.97 1bod h LEU 28 N 0.00 0.00 -1.96 1.33 6.46 -1.34 -2.79 115.31 117.01 1bod h LEU 28 Ca -0.09 -0.11 0.57 0.00 -0.12 0.00 0.00 57.88 58.13 1bod h LEU 28 Cb 1.33 0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 41.18 1bod h LEU 28 CO 0.03 0.58 1.43 1.17 -0.62 0.00 0.00 178.44 181.03 1bod n LYS 29 N -4.75 0.00 -0.04 1.25 4.81 -0.22 0.21 118.16 119.42 1bod n LYS 29 Ca -0.02 1.09 -0.14 0.00 -0.87 0.00 0.00 58.31 58.37 1bod n LYS 29 Cb 0.08 -2.52 -0.12 0.00 0.02 0.00 0.00 35.03 32.49 1bod n LYS 29 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1bod h LEU 30 N 0.00 0.06 -0.89 3.14 3.38 -1.71 -3.26 115.31 116.02 1bod h LEU 30 Ca 0.93 -0.83 0.19 0.00 0.09 0.00 0.00 57.88 58.26 1bod h LEU 30 Cb 3.79 -0.02 -0.17 0.00 0.09 0.00 0.00 40.66 44.35 1bod h LEU 30 CO -0.01 0.88 -0.18 0.25 0.09 0.00 0.00 178.44 179.46 1bod h LEU 31 N -0.76 -0.77 -0.57 1.67 7.12 0.27 0.61 115.31 122.88 1bod h LEU 31 Ca -0.01 0.26 0.12 0.00 0.13 0.00 0.00 57.88 58.38 1bod h LEU 31 Cb 0.89 0.53 -0.10 0.00 -0.53 0.00 0.00 40.66 41.45 1bod h LEU 31 CO 0.01 -0.29 -0.06 0.17 -0.13 0.00 0.00 178.44 178.14 1bod h LEU 32 N 0.01 -0.36 0.00 2.25 8.10 -1.47 -3.12 115.31 120.71 1bod h LEU 32 Ca 0.44 0.15 0.00 0.00 0.11 0.00 0.00 57.88 58.59 1bod h LEU 32 Cb 0.71 0.29 0.00 0.00 -0.44 0.00 0.00 40.66 41.23 1bod h LEU 32 CO -0.90 -0.14 0.00 0.00 -4.11 0.00 0.00 178.44 173.29 1bod n GLN 33 N -5.32 0.00 -3.81 0.17 6.02 0.21 -3.23 117.38 111.42 1bod n GLN 33 Ca 0.07 0.28 -0.32 0.00 -0.01 0.00 0.00 57.00 57.02 1bod n GLN 33 Cb 0.32 -0.84 -0.05 0.00 1.02 0.00 0.00 30.24 30.70 1bod n GLN 33 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1bod s THR 34 N -0.67 5.31 0.00 5.09 -4.23 -1.18 -4.02 115.64 115.93 1bod s THR 34 Ca 0.00 -0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.40 1bod s THR 34 Cb 0.00 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 70.23 1bod s THR 34 CO 0.00 0.18 0.00 -0.62 -0.54 0.00 0.00 174.62 173.64 1bod n GLU 35 N 0.48 0.00 -3.05 3.99 1.02 -1.26 -4.65 120.64 117.16 1bod n GLU 35 Ca -0.06 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.92 1bod n GLU 35 Cb 0.52 -0.10 -0.00 0.00 -0.02 0.00 0.00 31.44 31.84 1bod n GLU 35 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1bod n PHE 36 N -0.41 -0.94 0.07 -0.32 3.72 -1.21 -4.96 117.46 113.40 1bod n PHE 36 Ca 0.00 -3.20 -0.03 0.00 -0.05 0.00 0.00 57.45 54.17 1bod n PHE 36 Cb 0.00 0.23 -0.02 0.00 -0.94 0.00 0.00 39.48 38.76 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 3.30 -0.21 -0.90 -1.08 0.13 -1.68 -2.21 132.00 129.34 1bod h PRO 37 Ca 0.03 0.01 0.21 0.00 -0.87 0.00 0.00 66.00 65.38 1bod h PRO 37 Cb 0.99 0.05 -0.07 0.00 0.13 0.00 0.00 31.00 32.10 1bod h PRO 37 CO 0.39 -0.14 0.60 0.66 -0.23 0.00 0.00 178.00 179.28 1bod h SER 38 N -0.64 0.40 0.39 1.44 4.64 -1.93 1.34 113.55 119.19 1bod h SER 38 Ca -0.02 0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.32 1bod h SER 38 Cb 0.17 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1bod h SER 38 CO 0.04 0.16 -0.19 0.25 -0.87 0.00 0.00 176.83 176.21 1bod h LEU 39 N 0.39 -0.45 -4.06 5.97 5.85 -1.94 -3.14 115.31 117.94 1bod h LEU 39 Ca 0.47 0.02 -0.55 0.00 0.84 0.00 0.00 57.88 58.66 1bod h LEU 39 Cb 1.19 0.12 -0.22 0.00 0.37 0.00 0.00 40.66 42.11 1bod h LEU 39 CO -0.17 -0.26 0.68 0.18 -0.34 0.00 0.00 178.44 178.53 1bod n LEU 40 N -3.76 7.10 -0.91 2.25 4.32 -0.83 -4.45 117.00 120.72 1bod n LEU 40 Ca -0.07 -4.02 0.05 0.00 -0.02 0.00 0.00 56.01 51.96 1bod n LEU 40 Cb 0.21 -1.06 0.19 0.00 -1.62 0.00 0.00 43.42 41.14 1bod n LEU 40 CO 0.16 1.47 0.62 1.17 -1.22 0.00 0.00 177.39 179.59 1bod n LYS 41 N -0.18 2.33 0.00 3.23 3.00 0.45 -4.85 118.16 122.15 1bod n LYS 41 Ca 0.49 -1.50 0.00 0.00 -0.00 0.00 0.00 58.31 57.30 1bod n LYS 41 Cb 0.55 -1.53 0.00 0.00 0.00 0.00 0.00 35.03 34.06 1bod n LYS 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1bod n GLY 42 N 0.83 1.97 0.00 3.14 0.00 -1.26 -5.01 105.19 104.86 1bod n GLY 42 Ca 0.14 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1bod n GLY 42 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1bod n MET 43 N 0.00 0.00 -3.40 1.61 2.81 -1.26 -5.05 117.12 111.83 1bod n MET 43 Ca 0.00 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.62 1bod n MET 43 Cb 0.00 0.00 -0.10 0.00 -0.71 0.00 0.00 33.22 32.41 1bod n MET 43 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1bod s SER 44 N -2.65 1.79 0.29 7.83 1.04 -1.26 -5.07 113.70 115.67 1bod s SER 44 Ca 0.00 -2.78 0.03 0.00 0.48 0.00 0.00 55.95 53.69 1bod s SER 44 Cb 0.00 -0.37 -0.01 0.00 0.10 0.00 0.00 66.02 65.74 1bod s SER 44 CO 0.00 -0.21 0.11 1.07 0.98 0.00 0.00 173.24 175.20 1bod n THR 45 N 3.21 0.00 0.00 2.02 5.66 -1.26 -3.84 114.28 120.06 1bod n THR 45 Ca 0.24 -1.73 0.00 0.00 -3.05 0.00 0.00 64.05 59.51 1bod n THR 45 Cb 0.45 0.64 0.00 0.00 -1.55 0.00 0.00 70.33 69.87 1bod n THR 45 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1bod n LEU 46 N 0.00 0.00 -0.11 1.09 4.77 -1.26 -1.46 117.00 120.03 1bod n LEU 46 Ca -0.03 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.08 1bod n LEU 46 Cb 0.44 0.00 0.48 0.00 -2.33 0.00 0.00 43.42 42.02 1bod n LEU 46 CO 0.23 0.00 0.74 0.47 -1.33 0.00 0.00 177.39 177.51 1bod n ASP 47 N 3.10 0.56 -0.06 -1.43 8.00 -1.26 -3.51 116.55 121.95 1bod n ASP 47 Ca 0.00 -0.46 -0.17 0.00 0.71 0.00 0.00 54.79 54.86 1bod n ASP 47 Cb 0.00 -0.01 -0.13 0.00 -0.02 0.00 0.00 41.12 40.96 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 -1.05 0.70 0.12 -1.24 -0.58 -0.53 -0.83 120.64 117.23 1bod n GLU 48 Ca 0.11 0.20 -0.00 0.00 -0.42 0.00 0.00 57.16 57.05 1bod n GLU 48 Cb 0.31 -1.63 0.28 0.00 -0.57 0.00 0.00 31.44 29.83 1bod n GLU 48 CO 0.00 0.00 0.00 1.37 -0.48 0.00 0.00 177.13 178.02 1bod h LEU 49 N 0.03 0.18 0.00 -4.62 8.10 -1.67 1.94 115.31 119.27 1bod h LEU 49 Ca -0.48 -0.07 -0.03 0.00 0.11 0.00 0.00 57.88 57.41 1bod h LEU 49 Cb 2.01 -0.05 -0.00 0.00 -0.44 0.00 0.00 40.66 42.17 1bod h LEU 49 CO 0.02 0.54 -0.33 0.15 -4.11 0.00 0.00 178.44 174.71 1bod h PHE 50 N 0.15 0.00 0.00 0.17 3.57 -1.69 -3.27 116.94 115.87 1bod h PHE 50 Ca 0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1bod h PHE 50 Cb 0.72 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.46 1bod h PHE 50 CO 0.01 0.38 0.00 1.05 -2.23 0.00 0.00 178.31 177.52 1bod h GLU 51 N -1.00 0.00 -0.97 1.11 -0.00 -1.00 -1.84 114.58 110.88 1bod h GLU 51 Ca -0.05 0.00 0.27 0.00 -0.00 0.00 0.00 59.36 59.58 1bod h GLU 51 Cb 0.50 0.00 -0.18 0.00 -0.00 0.00 0.00 28.75 29.07 1bod h GLU 51 CO -0.03 0.00 0.01 0.39 -0.00 0.00 0.00 179.01 179.38 1bod n GLU 52 N -2.71 -0.08 -0.06 1.06 -0.58 0.66 -1.33 120.64 117.60 1bod n GLU 52 Ca -0.02 1.46 -0.07 0.00 -0.42 0.00 0.00 57.16 58.12 1bod n GLU 52 Cb 0.09 -2.32 -0.09 0.00 -0.57 0.00 0.00 31.44 28.55 1bod n GLU 52 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1bod n LEU 53 N -5.46 0.46 -0.96 -4.62 4.77 -1.04 -4.93 117.00 105.21 1bod n LEU 53 Ca 0.23 -0.01 -0.05 0.00 -0.03 0.00 0.00 56.01 56.14 1bod n LEU 53 Cb 0.74 0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.98 1bod n LEU 53 CO -0.07 0.37 -0.05 -0.67 -1.33 0.00 0.00 177.39 175.64 1bod n ASP 54 N -2.52 -1.64 -3.04 -1.43 2.03 -0.44 -4.86 116.55 104.65 1bod n ASP 54 Ca -0.21 0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.23 1bod n ASP 54 Cb 0.88 -1.71 0.00 0.00 -0.72 0.00 0.00 41.12 39.57 1bod n ASP 54 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1bod n LYS 55 N -1.09 -0.92 -0.01 -0.67 0.00 -1.26 -4.79 118.16 109.41 1bod n LYS 55 Ca -0.05 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.39 1bod n LYS 55 Cb 0.19 0.00 0.68 0.00 -0.00 0.00 0.00 35.03 35.90 1bod n LYS 55 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1bod n ASN 56 N -2.16 0.58 -3.07 -5.58 5.03 -1.26 -3.84 115.26 104.95 1bod n ASN 56 Ca 0.00 -1.31 -0.34 0.00 0.87 0.00 0.00 54.58 53.79 1bod n ASN 56 Cb 0.00 -0.01 -0.03 0.00 -1.02 0.00 0.00 39.78 38.71 1bod n ASN 56 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1bod n GLY 57 N 1.01 4.73 0.00 7.41 0.00 -1.26 -4.57 105.19 112.51 1bod n GLY 57 Ca 0.19 -1.90 0.03 0.00 0.00 0.00 0.00 46.02 44.35 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 1.68 0.00 -0.01 1.61 2.03 -1.25 -2.62 116.55 117.99 1bod n ASP 58 Ca 0.59 -1.59 0.07 0.00 0.52 0.00 0.00 54.79 54.38 1bod n ASP 58 Cb 0.38 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.67 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 0.49 -0.65 3.83 0.27 0.00 -1.26 -4.97 105.19 102.90 1bod n GLY 59 Ca 0.05 -0.35 -0.07 0.00 0.00 0.00 0.00 46.02 45.65 1bod n GLY 59 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1bod s GLU 60 N -2.98 1.86 -0.27 1.61 1.03 -1.08 -4.25 118.70 114.62 1bod s GLU 60 Ca -0.05 -1.12 -0.01 0.00 0.03 0.00 0.00 54.97 53.82 1bod s GLU 60 Cb 0.09 0.57 0.13 0.00 -0.80 0.00 0.00 34.13 34.13 1bod s GLU 60 CO 0.61 -0.86 0.29 0.08 -1.33 0.00 0.00 175.26 174.05 1bod s VAL 61 N -3.04 -0.41 0.00 1.83 1.01 0.93 -4.75 120.40 115.96 1bod s VAL 61 Ca 0.14 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1bod s VAL 61 Cb -0.05 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.42 1bod s VAL 61 CO 0.08 -0.38 0.00 -1.54 0.00 0.00 0.00 175.10 173.26 1bod n SER 62 N 5.32 0.00 0.00 3.32 3.41 -1.26 -1.54 113.62 122.87 1bod n SER 62 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1bod n SER 62 Cb 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 1bod n SER 62 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1bod n PHE 63 N -0.82 0.00 -0.30 7.33 7.35 -1.26 -1.43 117.46 128.33 1bod n PHE 63 Ca 0.00 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.83 1bod n PHE 63 Cb 0.00 -0.20 0.28 0.00 0.35 0.00 0.00 39.48 39.90 1bod n PHE 63 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1bod n GLU 64 N -1.11 -0.07 -0.07 -4.13 1.02 -1.26 0.21 120.64 115.23 1bod n GLU 64 Ca 0.00 1.32 -0.11 0.00 -0.02 0.00 0.00 57.16 58.35 1bod n GLU 64 Cb 0.00 -2.11 -0.04 0.00 -0.02 0.00 0.00 31.44 29.27 1bod n GLU 64 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1bod h GLU 65 N 0.00 0.34 0.35 3.49 4.39 -1.90 -3.24 114.58 118.02 1bod h GLU 65 Ca 0.55 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 60.16 1bod h GLU 65 Cb 1.16 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1bod h GLU 65 CO -0.82 0.42 -0.17 0.35 -1.16 0.00 0.00 179.01 177.63 1bod h PHE 66 N 0.20 -0.44 0.00 4.33 3.57 0.36 -3.26 116.94 121.70 1bod h PHE 66 Ca 0.07 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1bod h PHE 66 Cb 0.21 0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.09 1bod h PHE 66 CO -0.00 -0.12 0.00 0.00 -2.23 0.00 0.00 178.31 175.96 1bod n GLN 67 N -5.17 0.00 0.00 1.11 -0.00 0.37 -1.57 117.38 112.11 1bod n GLN 67 Ca -0.10 0.00 0.08 0.00 -0.00 0.00 0.00 57.00 56.98 1bod n GLN 67 Cb 0.27 -1.37 0.39 0.00 -0.00 0.00 0.00 30.24 29.53 1bod n GLN 67 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.06 178.61 1bod n VAL 68 N -0.87 0.52 -0.02 -0.39 3.14 -1.23 -1.84 118.33 117.64 1bod n VAL 68 Ca 0.00 0.13 -0.17 0.00 -2.96 0.00 0.00 64.34 61.34 1bod n VAL 68 Cb 0.00 -0.87 -0.14 0.00 -1.06 0.00 0.00 33.84 31.77 1bod n VAL 68 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1bod h LEU 69 N 0.00 0.21 -2.32 6.55 3.38 -1.58 0.71 115.31 122.26 1bod h LEU 69 Ca 0.00 -0.94 -0.00 0.00 0.09 0.00 0.00 57.88 57.02 1bod h LEU 69 Cb 0.13 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1bod h LEU 69 CO 0.00 1.22 -0.02 -0.37 0.09 0.00 0.00 178.44 179.36 1bod h VAL 70 N -0.71 0.61 0.10 1.22 -1.51 -1.59 2.75 116.25 117.12 1bod h VAL 70 Ca -0.10 -0.09 -0.26 0.00 -1.23 0.00 0.00 66.70 65.02 1bod h VAL 70 Cb 1.32 1.05 -0.00 0.00 -2.13 0.00 0.00 31.29 31.53 1bod h VAL 70 CO 0.05 0.02 -1.23 0.50 -1.23 0.00 0.00 177.57 175.68 1bod h LYS 71 N 0.00 0.21 -0.61 5.19 1.63 -1.37 -3.13 116.57 118.49 1bod h LYS 71 Ca -0.00 -0.36 0.00 0.00 -0.85 0.00 0.00 60.65 59.44 1bod h LYS 71 Cb 0.05 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.81 1bod h LYS 71 CO 0.00 1.16 0.00 1.17 -3.45 0.00 0.00 179.45 178.33 1bod n LYS 72 N -3.48 2.74 -0.41 1.90 3.00 0.14 -3.97 118.16 118.08 1bod n LYS 72 Ca -0.08 -2.24 0.08 0.00 -0.00 0.00 0.00 58.31 56.08 1bod n LYS 72 Cb 1.01 -1.60 0.27 0.00 0.00 0.00 0.00 35.03 34.72 1bod n LYS 72 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1bod n ILE 73 N 1.11 1.16 -2.93 3.15 5.41 0.88 -4.92 119.36 123.22 1bod n ILE 73 Ca 0.21 -0.87 -0.29 0.00 1.00 0.00 0.00 62.75 62.80 1bod n ILE 73 Cb 0.61 0.20 -0.02 0.00 -0.71 0.00 0.00 39.64 39.71 1bod n ILE 73 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1bod s SER 74 N -0.89 6.44 0.00 4.38 1.04 -1.26 -5.03 113.70 118.39 1bod s SER 74 Ca 0.40 0.98 0.00 0.00 0.48 0.00 0.00 55.95 57.81 1bod s SER 74 Cb 0.24 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 64.10 1bod s SER 74 CO 0.23 -0.39 0.00 0.00 0.98 0.00 0.00 173.24 174.06