#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 -1.45 -4.47 2.12 4.81 -1.26 -5.05 118.16 112.86 1bod n LYS 1 Ca 0.00 1.42 -0.30 0.00 -0.87 0.00 0.00 58.31 58.56 1bod n LYS 1 Cb 0.00 -1.75 -0.12 0.00 0.02 0.00 0.00 35.03 33.19 1bod n LYS 1 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1bod s SER 2 N -0.17 3.90 0.45 3.14 1.04 -1.26 -5.01 113.70 115.78 1bod s SER 2 Ca -0.01 -0.47 0.14 0.00 0.48 0.00 0.00 55.95 56.09 1bod s SER 2 Cb 0.00 -0.61 1.00 0.00 0.10 0.00 0.00 66.02 66.51 1bod s SER 2 CO 0.02 0.22 1.99 1.55 0.98 0.00 0.00 173.24 178.00 1bod h PRO 3 N 4.13 0.01 -0.21 4.02 0.13 -2.06 -1.54 132.00 136.47 1bod h PRO 3 Ca -0.49 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1bod h PRO 3 Cb 1.16 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1bod h PRO 3 CO 0.47 0.19 0.00 -0.85 -0.23 0.00 0.00 178.00 177.58 1bod n GLU 4 N -4.32 1.22 0.00 0.86 0.00 -1.26 -3.57 120.64 113.57 1bod n GLU 4 Ca -0.02 -0.30 0.13 0.00 0.00 0.00 0.00 57.16 56.97 1bod n GLU 4 Cb 0.24 -1.14 0.76 0.00 0.00 0.00 0.00 31.44 31.31 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 -0.22 0.84 0.09 3.44 4.07 -0.58 -2.68 120.64 125.60 1bod n GLU 5 Ca 0.03 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.10 1bod n GLU 5 Cb 0.11 -1.48 -0.06 0.00 -0.06 0.00 0.00 31.44 29.95 1bod n GLU 5 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1bod h LEU 6 N 0.00 0.00 -1.59 4.31 3.38 -1.81 -3.00 115.31 116.60 1bod h LEU 6 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1bod h LEU 6 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1bod h LEU 6 CO 0.00 0.77 -0.20 0.50 0.09 0.00 0.00 178.44 179.60 1bod h LYS 7 N 0.00 0.01 -4.79 1.13 3.11 -1.81 -3.32 116.57 110.90 1bod h LYS 7 Ca -0.03 -0.00 -0.71 0.00 -2.81 0.00 0.00 60.65 57.10 1bod h LYS 7 Cb 1.61 -0.00 -0.09 0.00 -1.00 0.00 0.00 32.23 32.75 1bod h LYS 7 CO 0.10 0.21 2.37 0.41 -2.81 0.00 0.00 179.45 179.73 1bod n GLY 8 N -0.95 3.58 0.00 5.01 0.00 -1.13 -3.84 105.19 107.86 1bod n GLY 8 Ca -0.02 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.33 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 5.32 0.00 -0.05 -0.61 0.13 -1.25 -4.97 119.36 117.94 1bod n ILE 9 Ca 0.47 0.00 -0.01 0.00 -1.10 0.00 0.00 62.75 62.11 1bod n ILE 9 Cb 0.42 0.00 -0.01 0.00 -0.84 0.00 0.00 39.64 39.21 1bod n ILE 9 CO 0.00 0.00 0.00 0.33 2.80 0.00 0.00 176.55 179.68 1bod n PHE 10 N 0.00 -0.05 -0.32 9.51 7.35 -1.25 0.46 117.46 133.16 1bod n PHE 10 Ca 0.00 0.14 0.24 0.00 -0.76 0.00 0.00 57.45 57.07 1bod n PHE 10 Cb 0.00 -0.50 0.47 0.00 0.35 0.00 0.00 39.48 39.80 1bod n PHE 10 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 1bod h GLU 11 N 0.00 0.14 -0.65 -4.13 4.57 -1.85 0.66 114.58 113.32 1bod h GLU 11 Ca 0.02 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.14 1bod h GLU 11 Cb 0.04 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 1bod h GLU 11 CO -0.10 0.09 0.22 1.57 -1.18 0.00 0.00 179.01 179.61 1bod h LYS 12 N 0.14 1.00 0.00 1.92 5.09 -0.24 -1.06 116.57 123.42 1bod h LYS 12 Ca 0.74 -0.21 0.00 0.00 0.09 0.00 0.00 60.65 61.27 1bod h LYS 12 Cb 1.76 -0.15 0.00 0.00 0.10 0.00 0.00 32.23 33.94 1bod h LYS 12 CO -0.72 0.86 0.00 0.66 -2.09 0.00 0.00 179.45 178.17 1bod n TYR 13 N -4.37 0.00 -1.07 0.07 4.01 0.23 -3.30 117.16 112.73 1bod n TYR 13 Ca 0.04 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.62 1bod n TYR 13 Cb 0.20 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.19 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 -0.81 6.03 0.00 7.72 -0.08 -0.40 -4.43 116.55 124.58 1bod n ASP 15 Ca 0.07 -2.89 0.07 0.00 -1.51 0.00 0.00 54.79 50.54 1bod n ASP 15 Cb 0.03 -1.21 0.44 0.00 2.34 0.00 0.00 41.12 42.73 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 1.18 0.85 0.02 -0.67 5.02 -1.21 -3.09 118.16 120.27 1bod n LYS 16 Ca 0.35 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.42 1bod n LYS 16 Cb 0.64 -1.27 -0.14 0.00 -0.02 0.00 0.00 35.03 34.23 1bod n LYS 16 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1bod h GLU 17 N 0.00 0.30 0.00 1.97 4.81 -1.92 -3.49 114.58 116.24 1bod h GLU 17 Ca 0.00 -0.50 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1bod h GLU 17 Cb 0.00 0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1bod h GLU 17 CO 0.00 1.24 0.00 0.41 -0.73 0.00 0.00 179.01 179.93 1bod n GLY 18 N 1.89 0.56 0.00 1.92 0.00 -1.18 -5.04 105.19 103.34 1bod n GLY 18 Ca -0.29 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 0.31 0.00 1.61 9.92 -1.26 -5.00 116.55 122.13 1bod n ASP 19 Ca 0.00 -0.98 0.00 0.00 -0.53 0.00 0.00 54.79 53.28 1bod n ASP 19 Cb 0.00 0.01 0.00 0.00 -0.64 0.00 0.00 41.12 40.49 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 0.01 2.08 0.76 0.44 0.00 -1.26 -4.90 105.19 102.32 1bod n GLY 20 Ca 0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 46.02 45.74 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 1.00 -5.15 1.61 -0.00 -1.26 -4.21 117.38 109.37 1bod n GLN 22 Ca 0.00 -0.78 -0.30 0.00 -0.00 0.00 0.00 57.00 55.92 1bod n GLN 22 Cb 0.00 0.39 -0.16 0.00 -0.00 0.00 0.00 30.24 30.47 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 2.07 0.64 2.61 1.43 -0.47 -4.85 118.68 120.11 1bod s LEU 23 Ca 0.04 -0.47 -0.04 0.00 -1.03 0.00 0.00 54.13 52.64 1bod s LEU 23 Cb 0.00 -1.25 0.05 0.00 0.03 0.00 0.00 46.19 45.02 1bod s LEU 23 CO 0.03 0.29 0.92 -0.94 0.23 0.00 0.00 176.35 176.87 1bod s SER 24 N -0.70 5.00 0.20 2.29 1.04 -1.26 -2.74 113.70 117.54 1bod s SER 24 Ca 0.10 0.28 0.12 0.00 0.48 0.00 0.00 55.95 56.93 1bod s SER 24 Cb -0.09 -1.02 0.65 0.00 0.10 0.00 0.00 66.02 65.65 1bod s SER 24 CO -0.00 -1.41 1.32 0.29 0.98 0.00 0.00 173.24 174.42 1bod n LYS 25 N -2.69 0.08 -0.19 4.02 4.76 -1.26 -1.12 118.16 121.75 1bod n LYS 25 Ca 0.08 0.55 -0.01 0.00 -2.87 0.00 0.00 58.31 56.06 1bod n LYS 25 Cb 0.60 -1.84 0.21 0.00 -1.84 0.00 0.00 35.03 32.16 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 0.94 0.00 1.97 5.08 -1.99 -1.77 114.58 118.81 1bod h GLU 26 Ca 0.00 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1bod h GLU 26 Cb 0.16 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1bod h GLU 26 CO 0.00 0.72 -1.69 0.39 -1.00 0.00 0.00 179.01 177.43 1bod n GLU 27 N -4.35 0.56 -0.06 2.33 -0.58 -0.28 -4.30 120.64 113.97 1bod n GLU 27 Ca 0.06 -0.12 -0.03 0.00 -0.42 0.00 0.00 57.16 56.65 1bod n GLU 27 Cb 0.13 -1.56 -0.03 0.00 -0.57 0.00 0.00 31.44 29.40 1bod n GLU 27 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1bod h LEU 28 N 0.00 0.00 -1.60 -4.62 6.46 -1.28 -2.71 115.31 111.56 1bod h LEU 28 Ca 0.00 -0.19 0.27 0.00 -0.12 0.00 0.00 57.88 57.84 1bod h LEU 28 Cb 0.93 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.82 1bod h LEU 28 CO 0.00 0.63 0.92 0.50 -0.62 0.00 0.00 178.44 179.87 1bod h LYS 29 N -1.00 0.00 0.05 1.25 3.64 -1.56 1.05 116.57 120.00 1bod h LYS 29 Ca -0.01 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.23 1bod h LYS 29 Cb 0.24 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1bod h LYS 29 CO -0.00 0.00 -0.59 -0.07 -2.27 0.00 0.00 179.45 176.52 1bod h LEU 30 N 0.00 0.43 -1.17 5.20 3.38 -1.74 -2.55 115.31 118.86 1bod h LEU 30 Ca 0.44 -0.85 0.14 0.00 0.09 0.00 0.00 57.88 57.70 1bod h LEU 30 Cb 2.28 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 42.82 1bod h LEU 30 CO -0.00 1.23 0.60 0.25 0.09 0.00 0.00 178.44 180.61 1bod h LEU 31 N -0.32 0.76 0.00 1.67 5.85 0.14 -1.65 115.31 121.77 1bod h LEU 31 Ca -0.09 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1bod h LEU 31 Cb 1.37 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.30 1bod h LEU 31 CO 0.11 0.38 0.00 0.18 -0.34 0.00 0.00 178.44 178.78 1bod n LEU 32 N -4.60 0.09 -0.32 2.25 4.77 -0.58 -3.41 117.00 115.20 1bod n LEU 32 Ca 0.18 0.70 0.26 0.00 -0.03 0.00 0.00 56.01 57.13 1bod n LEU 32 Cb 0.44 -0.47 0.48 0.00 -2.33 0.00 0.00 43.42 41.54 1bod n LEU 32 CO 0.28 -0.47 0.95 0.00 -1.33 0.00 0.00 177.39 176.82 1bod n GLN 33 N -1.91 -0.07 -4.48 3.23 10.64 -0.96 -1.48 117.38 122.34 1bod n GLN 33 Ca 0.00 1.39 -0.34 0.00 -1.83 0.00 0.00 57.00 56.22 1bod n GLN 33 Cb 0.00 -2.40 -0.12 0.00 -0.86 0.00 0.00 30.24 26.86 1bod n GLN 33 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1bod s THR 34 N -5.65 3.77 0.00 -0.39 2.01 -0.63 -4.09 115.64 110.66 1bod s THR 34 Ca -0.10 -0.41 0.00 0.00 0.31 0.00 0.00 61.69 61.49 1bod s THR 34 Cb 0.32 -2.63 0.00 0.00 0.01 0.00 0.00 72.50 70.20 1bod s THR 34 CO 0.76 0.51 0.00 -0.62 -0.69 0.00 0.00 174.62 174.59 1bod n GLU 35 N 3.32 0.00 -2.99 4.92 -0.58 -1.26 -4.55 120.64 119.51 1bod n GLU 35 Ca -0.18 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.40 1bod n GLU 35 Cb 0.53 -0.87 -0.01 0.00 -0.57 0.00 0.00 31.44 30.52 1bod n GLU 35 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1bod n PHE 36 N -1.99 -1.71 0.23 -0.32 3.01 -0.55 -5.00 117.46 111.14 1bod n PHE 36 Ca 0.00 -2.75 -0.11 0.00 1.01 0.00 0.00 57.45 55.60 1bod n PHE 36 Cb 0.00 0.53 -0.06 0.00 -0.01 0.00 0.00 39.48 39.95 1bod n PHE 36 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1bod h PRO 37 N 3.93 -0.62 -1.27 -1.08 0.13 -1.63 -3.23 132.00 128.23 1bod h PRO 37 Ca -0.03 0.04 0.43 0.00 -0.87 0.00 0.00 66.00 65.57 1bod h PRO 37 Cb 0.95 0.14 -0.12 0.00 0.13 0.00 0.00 31.00 32.11 1bod h PRO 37 CO 0.40 -0.37 0.83 0.45 -0.23 0.00 0.00 178.00 179.07 1bod n SER 38 N -5.21 0.17 -0.16 1.44 2.88 -1.26 -0.06 113.62 111.41 1bod n SER 38 Ca -0.09 1.19 -0.08 0.00 -1.33 0.00 0.00 58.87 58.57 1bod n SER 38 Cb 0.27 -0.59 -0.02 0.00 -0.75 0.00 0.00 64.21 63.12 1bod n SER 38 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1bod h LEU 39 N 0.00 -1.30 0.02 2.46 3.38 -1.89 -0.94 115.31 117.04 1bod h LEU 39 Ca 0.78 0.22 -0.23 0.00 0.09 0.00 0.00 57.88 58.74 1bod h LEU 39 Cb 2.59 0.60 -0.03 0.00 0.09 0.00 0.00 40.66 43.91 1bod h LEU 39 CO -0.37 -0.33 -1.15 -0.07 0.09 0.00 0.00 178.44 176.60 1bod h LEU 40 N -0.25 0.07 -4.25 1.67 -0.00 -0.68 -3.34 115.31 108.54 1bod h LEU 40 Ca 0.18 -0.08 -0.32 0.00 -0.00 0.00 0.00 57.88 57.66 1bod h LEU 40 Cb 0.56 -0.02 -0.10 0.00 -0.00 0.00 0.00 40.66 41.10 1bod h LEU 40 CO -0.62 1.06 0.13 1.17 -0.00 0.00 0.00 178.44 180.18 1bod n LYS 41 N -3.34 2.27 0.00 1.13 4.81 -0.39 -3.94 118.16 118.70 1bod n LYS 41 Ca -0.04 -1.51 0.00 0.00 -0.87 0.00 0.00 58.31 55.89 1bod n LYS 41 Cb 0.97 -2.10 0.00 0.00 0.02 0.00 0.00 35.03 33.92 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 2.07 -0.13 0.00 3.14 0.00 -0.99 -4.71 105.19 104.57 1bod n GLY 42 Ca 0.47 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 -0.15 -2.46 1.61 2.81 -1.25 -4.90 117.12 112.78 1bod n MET 43 Ca 0.00 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.82 1bod n MET 43 Cb 0.00 0.00 0.04 0.00 -0.71 0.00 0.00 33.22 32.55 1bod n MET 43 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1bod n SER 44 N 0.21 2.58 -0.32 7.83 7.64 -1.26 -4.88 113.62 125.42 1bod n SER 44 Ca 0.00 -2.60 0.28 0.00 1.01 0.00 0.00 58.87 57.56 1bod n SER 44 Cb 0.00 -0.43 0.53 0.00 -1.01 0.00 0.00 64.21 63.30 1bod n SER 44 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1bod h THR 45 N 4.50 0.07 0.00 0.44 2.02 -1.91 -3.36 112.91 114.67 1bod h THR 45 Ca 0.02 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1bod h THR 45 Cb 1.38 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1bod h THR 45 CO 0.35 0.01 0.00 0.18 0.37 0.00 0.00 175.52 176.43 1bod n LEU 46 N -5.24 0.00 0.14 2.58 4.77 -1.26 0.28 117.00 118.26 1bod n LEU 46 Ca 0.35 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.42 1bod n LEU 46 Cb 1.16 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 42.30 1bod n LEU 46 CO 0.02 0.00 0.31 0.44 -1.33 0.00 0.00 177.39 176.83 1bod h ASP 47 N 0.00 0.00 -0.12 -1.43 3.32 -2.01 -3.38 116.42 112.80 1bod h ASP 47 Ca 0.00 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.07 1bod h ASP 47 Cb 0.00 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1bod h ASP 47 CO 0.00 0.16 -0.31 -0.33 -1.72 0.00 0.00 179.24 177.03 1bod h GLU 48 N 0.00 -0.30 -1.28 3.56 5.08 0.38 1.21 114.58 123.24 1bod h GLU 48 Ca -0.02 0.02 0.37 0.00 -1.00 0.00 0.00 59.36 58.73 1bod h GLU 48 Cb 1.14 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.41 1bod h GLU 48 CO 0.02 -0.20 1.12 1.37 -1.00 0.00 0.00 179.01 180.32 1bod h LEU 49 N -0.31 0.00 0.03 1.33 -0.00 -1.16 2.21 115.31 117.41 1bod h LEU 49 Ca 0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.79 1bod h LEU 49 Cb 0.38 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.03 1bod h LEU 49 CO -0.27 0.00 -0.57 0.15 -0.00 0.00 0.00 178.44 177.74 1bod h PHE 50 N 0.00 0.11 0.38 0.17 3.57 -0.18 -3.27 116.94 117.72 1bod h PHE 50 Ca 0.61 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 62.01 1bod h PHE 50 Cb 2.85 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 41.59 1bod h PHE 50 CO 0.00 1.22 -0.18 0.93 -2.23 0.00 0.00 178.31 178.05 1bod h GLU 51 N -0.86 -0.49 -1.89 1.11 4.39 1.01 0.95 114.58 118.80 1bod h GLU 51 Ca -0.14 0.03 0.55 0.00 0.34 0.00 0.00 59.36 60.14 1bod h GLU 51 Cb 1.23 0.11 -0.08 0.00 -0.10 0.00 0.00 28.75 29.91 1bod h GLU 51 CO -0.03 -0.31 1.36 0.39 -1.16 0.00 0.00 179.01 179.26 1bod n GLU 52 N -5.11 -0.00 -0.01 2.33 -0.58 0.65 0.14 120.64 118.06 1bod n GLU 52 Ca -0.07 1.05 0.06 0.00 -0.42 0.00 0.00 57.16 57.79 1bod n GLU 52 Cb 0.21 -2.41 -0.09 0.00 -0.57 0.00 0.00 31.44 28.58 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 -3.88 0.05 -1.06 -4.62 4.77 -1.18 -4.29 117.00 106.79 1bod n LEU 53 Ca 0.43 -0.05 0.05 0.00 -0.03 0.00 0.00 56.01 56.41 1bod n LEU 53 Cb 1.94 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 43.24 1bod n LEU 53 CO 0.42 0.01 0.63 -0.67 -1.33 0.00 0.00 177.39 176.45 1bod n ASP 54 N -1.86 3.05 -0.31 -1.43 2.03 0.37 -4.07 116.55 114.33 1bod n ASP 54 Ca -0.02 -2.29 0.03 0.00 0.52 0.00 0.00 54.79 53.04 1bod n ASP 54 Cb 0.31 -0.46 0.10 0.00 -0.72 0.00 0.00 41.12 40.34 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 0.53 -0.11 -2.69 -0.67 0.00 0.69 -1.98 118.16 113.94 1bod n LYS 55 Ca 0.15 1.30 -0.20 0.00 -0.00 0.00 0.00 58.31 59.56 1bod n LYS 55 Cb 0.59 -1.94 0.00 0.00 -0.00 0.00 0.00 35.03 33.68 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 -5.33 3.16 -1.88 -5.58 3.02 -1.26 -4.90 115.26 102.49 1bod n ASN 56 Ca 0.12 -3.30 -0.04 0.00 -0.03 0.00 0.00 54.58 51.33 1bod n ASN 56 Cb 0.40 -0.52 0.02 0.00 -0.61 0.00 0.00 39.78 39.07 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 -0.22 0.38 0.91 7.41 0.00 -0.84 -4.97 105.19 107.86 1bod n GLY 57 Ca 0.26 -0.11 0.03 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.86 0.81 -0.35 1.61 2.03 -1.25 -4.84 116.55 112.70 1bod n ASP 58 Ca -0.03 -2.29 0.36 0.00 0.52 0.00 0.00 54.79 53.35 1bod n ASP 58 Cb 0.53 -0.30 0.61 0.00 -0.72 0.00 0.00 41.12 41.24 1bod n ASP 58 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1bod h GLY 59 N 0.54 0.00 -6.74 0.27 0.00 -1.81 -3.30 103.07 92.04 1bod h GLY 59 Ca -0.10 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.61 1bod h GLY 59 CO 0.04 0.00 0.32 -1.83 0.00 0.00 0.00 176.54 175.07 1bod s GLU 60 N -4.62 3.69 -0.32 4.80 4.04 -1.26 -4.59 118.70 120.44 1bod s GLU 60 Ca -0.04 0.20 -0.06 0.00 0.04 0.00 0.00 54.97 55.11 1bod s GLU 60 Cb 0.19 -3.83 0.03 0.00 0.02 0.00 0.00 34.13 30.55 1bod s GLU 60 CO 0.63 -0.85 0.08 0.08 -1.84 0.00 0.00 175.26 173.35 1bod s VAL 61 N 3.02 3.67 0.30 1.83 1.01 -1.11 -4.82 120.40 124.31 1bod s VAL 61 Ca 0.29 -1.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.17 1bod s VAL 61 Cb -0.13 -3.03 0.07 0.00 0.00 0.00 0.00 36.38 33.29 1bod s VAL 61 CO 0.17 -0.09 0.41 -1.54 0.00 0.00 0.00 175.10 174.06 1bod n SER 62 N 4.79 0.12 -0.03 3.32 3.41 -1.26 -1.37 113.62 122.60 1bod n SER 62 Ca -0.13 -1.20 -0.15 0.00 -0.26 0.00 0.00 58.87 57.12 1bod n SER 62 Cb 0.45 -0.31 -0.12 0.00 -0.26 0.00 0.00 64.21 63.97 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 -1.09 0.20 -0.78 7.33 3.57 -1.98 -1.59 116.94 122.60 1bod h PHE 63 Ca -0.13 -0.13 0.20 0.00 3.53 0.00 0.00 57.97 61.44 1bod h PHE 63 Cb 0.39 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 1bod h PHE 63 CO 0.00 1.00 0.55 0.93 -2.23 0.00 0.00 178.31 178.56 1bod h GLU 64 N -0.66 0.14 -0.07 1.11 5.08 -1.95 -0.33 114.58 117.91 1bod h GLU 64 Ca -0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1bod h GLU 64 Cb 1.09 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1bod h GLU 64 CO 0.05 0.09 0.00 -0.85 -1.00 0.00 0.00 179.01 177.30 1bod n GLU 65 N -4.38 1.01 -0.06 2.33 0.28 -1.25 -4.68 120.64 113.90 1bod n GLU 65 Ca 0.16 -1.35 -0.04 0.00 -0.16 0.00 0.00 57.16 55.77 1bod n GLU 65 Cb 0.75 -1.24 -0.03 0.00 1.43 0.00 0.00 31.44 32.35 1bod n GLU 65 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1bod h PHE 66 N 2.33 0.00 -0.27 -1.84 3.57 -0.00 -3.36 116.94 117.37 1bod h PHE 66 Ca 0.00 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.58 1bod h PHE 66 Cb 0.54 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1bod h PHE 66 CO 0.04 0.24 0.94 0.00 -2.23 0.00 0.00 178.31 177.29 1bod n GLN 67 N -4.73 0.02 0.05 1.11 0.00 -1.17 -0.72 117.38 111.95 1bod n GLN 67 Ca -0.03 0.85 0.02 0.00 0.00 0.00 0.00 57.00 57.84 1bod n GLN 67 Cb 0.13 -2.25 0.09 0.00 0.00 0.00 0.00 30.24 28.21 1bod n GLN 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1bod n VAL 68 N -2.47 0.78 0.01 -0.39 0.31 -1.26 0.12 118.33 115.42 1bod n VAL 68 Ca 0.06 0.58 -0.20 0.00 -0.01 0.00 0.00 64.34 64.77 1bod n VAL 68 Cb 1.02 -1.58 -0.14 0.00 -0.91 0.00 0.00 33.84 32.23 1bod n VAL 68 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1bod h LEU 69 N 0.00 0.35 -2.23 7.52 3.38 -1.25 0.49 115.31 123.58 1bod h LEU 69 Ca 0.00 -0.89 0.02 0.00 0.09 0.00 0.00 57.88 57.10 1bod h LEU 69 Cb 0.62 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1bod h LEU 69 CO 0.00 1.44 0.06 -0.37 0.09 0.00 0.00 178.44 179.67 1bod h VAL 70 N -0.46 0.70 0.11 1.22 -1.51 0.63 2.67 116.25 119.61 1bod h VAL 70 Ca -0.20 0.00 -0.27 0.00 -1.23 0.00 0.00 66.70 64.99 1bod h VAL 70 Cb 1.59 0.95 -0.00 0.00 -2.13 0.00 0.00 31.29 31.71 1bod h VAL 70 CO 0.07 0.00 -1.27 0.50 -1.23 0.00 0.00 177.57 175.64 1bod h LYS 71 N 0.00 0.24 -0.51 5.19 3.64 -1.21 -3.13 116.57 120.79 1bod h LYS 71 Ca 0.03 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1bod h LYS 71 Cb 0.16 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1bod h LYS 71 CO -0.00 1.17 0.00 1.17 -2.27 0.00 0.00 179.45 179.52 1bod n LYS 72 N -3.50 2.26 -0.47 1.90 0.00 0.17 -3.77 118.16 114.75 1bod n LYS 72 Ca -0.09 -1.80 0.09 0.00 0.00 0.00 0.00 58.31 56.50 1bod n LYS 72 Cb 1.02 -1.43 0.30 0.00 0.00 0.00 0.00 35.03 34.91 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 0.90 1.62 0.00 3.15 5.41 0.85 -4.97 119.36 126.32 1bod n ILE 73 Ca 0.17 -1.23 0.00 0.00 1.00 0.00 0.00 62.75 62.69 1bod n ILE 73 Cb 0.45 0.20 0.00 0.00 -0.71 0.00 0.00 39.64 39.58 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 0.82 -0.94 -0.90 4.38 2.88 -1.25 -5.02 113.62 113.60 1bod n SER 74 Ca 0.22 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.87 1bod n SER 74 Cb 0.76 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.31 1bod n SER 74 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81