#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 0.23 -3.52 0.03 5.02 -1.26 -4.97 118.16 113.68 1bod n LYS 1 Ca 0.00 -0.02 -0.10 0.00 -2.02 0.00 0.00 58.31 56.17 1bod n LYS 1 Cb 0.00 -1.56 -0.03 0.00 -0.02 0.00 0.00 35.03 33.42 1bod n LYS 1 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1bod s SER 2 N -3.69 -0.40 0.51 4.39 1.04 -1.26 -5.02 113.70 109.27 1bod s SER 2 Ca 0.04 0.20 0.28 0.00 0.48 0.00 0.00 55.95 56.95 1bod s SER 2 Cb 0.15 0.38 1.36 0.00 0.10 0.00 0.00 66.02 68.01 1bod s SER 2 CO 0.81 -0.55 2.02 1.55 0.98 0.00 0.00 173.24 178.05 1bod h PRO 3 N 2.27 0.00 -0.03 4.02 0.13 -2.05 -1.44 132.00 134.91 1bod h PRO 3 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1bod h PRO 3 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1bod h PRO 3 CO 0.32 0.14 0.00 0.39 -0.23 0.00 0.00 178.00 178.62 1bod n GLU 4 N -3.53 1.17 0.00 0.86 1.02 -1.26 -3.46 120.64 115.44 1bod n GLU 4 Ca -0.01 -0.26 0.14 0.00 -0.02 0.00 0.00 57.16 57.01 1bod n GLU 4 Cb 0.28 -1.37 0.84 0.00 -0.02 0.00 0.00 31.44 31.17 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 -0.57 0.90 -0.06 3.49 0.00 -0.54 -2.13 120.64 121.73 1bod n GLU 5 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 57.28 1bod n GLU 5 Cb 0.14 -1.49 -0.03 0.00 0.00 0.00 0.00 31.44 30.06 1bod n GLU 5 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.13 178.50 1bod h LEU 6 N 0.00 0.00 -0.23 4.31 -0.00 -1.78 -3.26 115.31 114.35 1bod h LEU 6 Ca 0.00 -0.17 0.00 0.00 -0.00 0.00 0.00 57.88 57.71 1bod h LEU 6 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1bod h LEU 6 CO 0.00 0.70 0.00 1.17 -0.00 0.00 0.00 178.44 180.31 1bod n LYS 7 N -4.69 0.04 -3.52 0.17 0.00 -1.22 -3.48 118.16 105.46 1bod n LYS 7 Ca -0.05 0.37 -0.28 0.00 0.00 0.00 0.00 58.31 58.35 1bod n LYS 7 Cb 0.18 -1.60 -0.09 0.00 0.00 0.00 0.00 35.03 33.52 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 -0.46 4.65 0.00 3.14 0.00 -0.90 -4.27 105.19 107.34 1bod n GLY 8 Ca 0.02 -2.73 0.00 0.00 0.00 0.00 0.00 46.02 43.31 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 1.13 0.00 -0.01 -0.61 0.00 -1.23 -4.68 119.36 113.97 1bod n ILE 9 Ca 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 62.75 63.02 1bod n ILE 9 Cb 0.39 0.00 -0.00 0.00 0.00 0.00 0.00 39.64 40.03 1bod n ILE 9 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 1bod h PHE 10 N 0.00 -0.00 -0.96 9.51 3.04 -1.81 -2.91 116.94 123.81 1bod h PHE 10 Ca 0.00 -0.00 0.30 0.00 3.98 0.00 0.00 57.97 62.25 1bod h PHE 10 Cb 0.00 0.00 -0.16 0.00 2.56 0.00 0.00 35.95 38.35 1bod h PHE 10 CO 0.00 -0.00 0.33 1.49 -2.02 0.00 0.00 178.31 178.11 1bod h GLU 11 N -0.19 0.14 -0.51 1.11 4.57 -1.81 0.98 114.58 118.86 1bod h GLU 11 Ca -0.00 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 1bod h GLU 11 Cb 0.00 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 1bod h GLU 11 CO 0.00 0.09 0.14 1.57 -1.18 0.00 0.00 179.01 179.63 1bod h LYS 12 N 0.14 0.81 0.00 1.92 5.09 -1.81 -0.95 116.57 121.77 1bod h LYS 12 Ca 0.67 -0.18 0.00 0.00 0.09 0.00 0.00 60.65 61.23 1bod h LYS 12 Cb 1.53 -0.11 0.00 0.00 0.10 0.00 0.00 32.23 33.74 1bod h LYS 12 CO -0.73 0.76 0.00 0.66 -2.09 0.00 0.00 179.45 178.05 1bod n TYR 13 N -4.47 0.00 -1.34 0.07 4.02 0.33 -3.23 117.16 112.54 1bod n TYR 13 Ca 0.02 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.68 1bod n TYR 13 Cb 0.21 -0.07 -0.09 0.00 -0.02 0.00 0.00 39.34 39.36 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 -1.07 6.13 0.00 7.72 -0.08 -0.36 -4.51 116.55 124.37 1bod n ASP 15 Ca 0.08 -2.95 0.06 0.00 -1.51 0.00 0.00 54.79 50.47 1bod n ASP 15 Cb 0.06 -1.30 0.35 0.00 2.34 0.00 0.00 41.12 42.57 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 1.49 0.85 0.15 -0.67 4.01 -1.20 -2.84 118.16 119.95 1bod n LYS 16 Ca 0.48 0.00 0.12 0.00 -0.51 0.00 0.00 58.31 58.40 1bod n LYS 16 Cb 0.66 -1.22 0.18 0.00 -0.51 0.00 0.00 35.03 34.14 1bod n LYS 16 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 1bod h GLU 17 N 0.00 0.00 -1.08 1.97 4.22 -1.90 -3.47 114.58 114.31 1bod h GLU 17 Ca 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.39 1bod h GLU 17 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1bod h GLU 17 CO 0.00 0.00 -0.07 0.41 -2.18 0.00 0.00 179.01 177.17 1bod n GLY 18 N 1.18 0.58 0.00 1.92 0.00 -1.13 -4.95 105.19 102.80 1bod n GLY 18 Ca 0.03 -0.66 0.01 0.00 0.00 0.00 0.00 46.02 45.40 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 1.19 3.15 0.00 1.61 5.75 -1.26 -5.01 116.55 121.98 1bod n ASP 19 Ca -0.01 -0.18 0.00 0.00 -0.01 0.00 0.00 54.79 54.59 1bod n ASP 19 Cb 0.51 1.04 0.00 0.00 -1.03 0.00 0.00 41.12 41.65 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 1.96 3.02 0.89 6.12 0.00 -1.26 -4.99 105.19 110.92 1bod n GLY 20 Ca -0.00 -0.62 -0.07 0.00 0.00 0.00 0.00 46.02 45.32 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 1.30 -4.93 1.61 10.64 -1.26 -4.08 117.38 120.66 1bod n GLN 22 Ca 0.00 -0.91 -0.28 0.00 -1.83 0.00 0.00 57.00 53.98 1bod n GLN 22 Cb 0.00 0.35 -0.15 0.00 -0.86 0.00 0.00 30.24 29.58 1bod n GLN 22 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1bod s LEU 23 N 0.00 2.11 0.56 2.61 1.43 -0.74 -4.84 118.68 119.82 1bod s LEU 23 Ca 0.02 -0.49 -0.04 0.00 -1.03 0.00 0.00 54.13 52.59 1bod s LEU 23 Cb 0.00 -1.15 0.01 0.00 0.03 0.00 0.00 46.19 45.08 1bod s LEU 23 CO 0.02 0.24 0.84 -0.55 0.23 0.00 0.00 176.35 177.13 1bod s SER 24 N -0.91 5.58 0.48 2.29 0.15 -1.26 -2.77 113.70 117.25 1bod s SER 24 Ca 0.09 0.54 0.20 0.00 0.70 0.00 0.00 55.95 57.48 1bod s SER 24 Cb -0.09 -1.57 1.09 0.00 -1.71 0.00 0.00 66.02 63.74 1bod s SER 24 CO 0.01 -1.02 1.56 0.11 1.20 0.00 0.00 173.24 175.10 1bod h LYS 25 N -0.05 0.00 -0.95 5.44 1.79 -1.99 -0.50 116.57 120.31 1bod h LYS 25 Ca -0.45 0.00 0.12 0.00 -2.18 0.00 0.00 60.65 58.13 1bod h LYS 25 Cb 1.26 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.83 1bod h LYS 25 CO 0.59 0.00 0.58 0.93 -1.08 0.00 0.00 179.45 180.48 1bod h GLU 26 N 0.00 0.90 0.00 3.15 3.07 -1.99 -0.89 114.58 118.81 1bod h GLU 26 Ca 0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1bod h GLU 26 Cb 0.66 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 1bod h GLU 26 CO 0.00 0.59 -1.52 0.39 -1.40 0.00 0.00 179.01 177.07 1bod n GLU 27 N -4.66 0.58 -0.06 2.33 4.71 -0.21 -4.19 120.64 119.13 1bod n GLU 27 Ca 0.18 -0.06 -0.07 0.00 -0.01 0.00 0.00 57.16 57.19 1bod n GLU 27 Cb 0.34 -1.63 -0.05 0.00 -1.01 0.00 0.00 31.44 29.09 1bod n GLU 27 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1bod h LEU 28 N 0.00 0.00 -0.89 -4.62 6.46 -1.27 -1.85 115.31 113.13 1bod h LEU 28 Ca 0.00 -0.37 0.24 0.00 -0.12 0.00 0.00 57.88 57.63 1bod h LEU 28 Cb 0.95 0.00 -0.14 0.00 -0.73 0.00 0.00 40.66 40.74 1bod h LEU 28 CO 0.00 0.78 0.24 0.50 -0.62 0.00 0.00 178.44 179.34 1bod h LYS 29 N -1.00 0.19 -0.38 1.25 3.64 -1.41 1.07 116.57 119.94 1bod h LYS 29 Ca -0.03 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.18 1bod h LYS 29 Cb 0.50 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1bod h LYS 29 CO -0.02 0.13 -0.39 -0.07 -2.27 0.00 0.00 179.45 176.83 1bod h LEU 30 N 0.20 0.99 -0.75 5.20 3.38 -1.73 -2.62 115.31 119.97 1bod h LEU 30 Ca 0.57 -0.45 0.17 0.00 0.09 0.00 0.00 57.88 58.25 1bod h LEU 30 Cb 1.17 -0.28 -0.11 0.00 0.09 0.00 0.00 40.66 41.53 1bod h LEU 30 CO -0.67 1.25 0.19 0.25 0.09 0.00 0.00 178.44 179.55 1bod h LEU 31 N 0.75 0.03 0.01 1.67 7.12 0.20 -1.29 115.31 123.80 1bod h LEU 31 Ca 0.06 0.15 -0.00 0.00 0.13 0.00 0.00 57.88 58.22 1bod h LEU 31 Cb 0.98 0.20 0.00 0.00 -0.53 0.00 0.00 40.66 41.31 1bod h LEU 31 CO 0.10 -0.04 -0.00 -0.07 -0.13 0.00 0.00 178.44 178.29 1bod h LEU 32 N 0.27 -0.01 -1.85 2.25 4.07 -1.16 -2.24 115.31 116.64 1bod h LEU 32 Ca 0.43 0.00 0.54 0.00 0.08 0.00 0.00 57.88 58.93 1bod h LEU 32 Cb 0.74 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 42.40 1bod h LEU 32 CO -0.52 0.07 1.31 0.00 -1.08 0.00 0.00 178.44 178.22 1bod n GLN 33 N -2.47 -0.00 0.00 1.13 10.64 -1.00 0.15 117.38 125.83 1bod n GLN 33 Ca -0.00 1.07 0.00 0.00 -1.83 0.00 0.00 57.00 56.24 1bod n GLN 33 Cb 0.01 -2.42 0.00 0.00 -0.86 0.00 0.00 30.24 26.97 1bod n GLN 33 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 1bod n THR 34 N -3.96 0.00 0.13 -0.39 -1.04 -0.49 -4.30 114.28 104.24 1bod n THR 34 Ca 0.43 0.37 -0.24 0.00 -2.04 0.00 0.00 64.05 62.56 1bod n THR 34 Cb 1.90 -1.19 -0.16 0.00 -1.82 0.00 0.00 70.33 69.06 1bod n THR 34 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1bod h GLU 35 N 0.00 0.51 -3.22 -2.82 4.39 -0.97 -3.38 114.58 109.09 1bod h GLU 35 Ca 0.00 -0.87 -0.72 0.00 0.34 0.00 0.00 59.36 58.10 1bod h GLU 35 Cb 0.00 0.32 -0.34 0.00 -0.10 0.00 0.00 28.75 28.64 1bod h GLU 35 CO 0.00 1.42 0.06 1.19 -1.16 0.00 0.00 179.01 180.51 1bod n PHE 36 N -3.69 4.14 -0.06 4.33 3.72 0.40 -4.85 117.46 121.45 1bod n PHE 36 Ca -0.18 -3.93 -0.15 0.00 -0.05 0.00 0.00 57.45 53.14 1bod n PHE 36 Cb 1.10 -1.20 -0.06 0.00 -0.94 0.00 0.00 39.48 38.38 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 5.87 0.61 -0.43 -1.08 0.13 -1.55 -3.16 132.00 132.40 1bod h PRO 37 Ca 0.17 -0.39 0.05 0.00 -0.87 0.00 0.00 66.00 64.96 1bod h PRO 37 Cb 0.78 0.05 -0.07 0.00 0.13 0.00 0.00 31.00 31.89 1bod h PRO 37 CO 0.94 1.01 -0.46 0.66 -0.23 0.00 0.00 178.00 179.91 1bod h SER 38 N 0.29 -1.58 0.36 1.44 4.64 -1.89 1.17 113.55 117.98 1bod h SER 38 Ca 0.01 0.21 -0.01 0.00 -0.47 0.00 0.00 61.79 61.53 1bod h SER 38 Cb 0.99 0.66 -0.01 0.00 -0.31 0.00 0.00 62.40 63.72 1bod h SER 38 CO 0.09 -0.30 -0.30 -0.07 -0.87 0.00 0.00 176.83 175.37 1bod h LEU 39 N -0.26 -0.82 -2.07 5.97 3.38 -1.92 -0.80 115.31 118.79 1bod h LEU 39 Ca 0.07 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1bod h LEU 39 Cb 0.46 0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 1bod h LEU 39 CO -0.54 -0.42 0.31 0.25 0.09 0.00 0.00 178.44 178.13 1bod h LEU 40 N -0.65 0.00 -3.32 1.67 7.12 -1.59 -1.16 115.31 117.38 1bod h LEU 40 Ca -0.05 0.00 -0.28 0.00 0.13 0.00 0.00 57.88 57.68 1bod h LEU 40 Cb 0.55 0.00 -0.13 0.00 -0.53 0.00 0.00 40.66 40.55 1bod h LEU 40 CO -0.01 0.00 0.37 1.17 -0.13 0.00 0.00 178.44 179.84 1bod n LYS 41 N -2.93 1.70 0.00 1.25 3.00 0.40 -4.12 118.16 117.46 1bod n LYS 41 Ca -0.02 -1.42 0.00 0.00 -0.00 0.00 0.00 58.31 56.87 1bod n LYS 41 Cb 0.36 -1.56 0.00 0.00 0.00 0.00 0.00 35.03 33.84 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 0.30 0.00 7.00 3.14 0.00 -0.44 -4.92 105.19 110.27 1bod n GLY 42 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.34 1.61 2.81 -1.25 -4.81 117.12 115.15 1bod n MET 43 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1bod n MET 43 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 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 -3.75 0.00 0.00 7.83 7.64 -1.26 -4.60 113.62 119.48 1bod n SER 44 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1bod n SER 44 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1bod n SER 44 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1bod n THR 45 N -2.00 0.00 0.00 0.44 5.66 -1.26 -4.43 114.28 112.69 1bod n THR 45 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1bod n THR 45 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1bod n THR 45 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1bod n LEU 46 N 0.00 0.00 -2.36 1.09 -0.00 -1.26 -0.38 117.00 114.09 1bod n LEU 46 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.77 1bod n LEU 46 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 1bod n LEU 46 CO 0.00 0.00 1.52 0.47 -0.00 0.00 0.00 177.39 179.38 1bod n ASP 47 N 5.45 6.43 0.07 1.96 8.00 -1.26 -3.74 116.55 133.46 1bod n ASP 47 Ca 0.00 -3.16 0.00 0.00 0.71 0.00 0.00 54.79 52.34 1bod n ASP 47 Cb 0.00 -1.21 0.00 0.00 -0.02 0.00 0.00 41.12 39.89 1bod n ASP 47 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1bod n GLU 48 N 0.83 0.00 0.24 -1.24 0.00 0.49 -4.14 120.64 116.82 1bod n GLU 48 Ca 0.45 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.72 1bod n GLU 48 Cb 0.57 -0.09 0.70 0.00 0.00 0.00 0.00 31.44 32.62 1bod n GLU 48 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.13 178.50 1bod h LEU 49 N 0.00 0.00 0.00 4.31 8.10 -1.72 0.36 115.31 126.36 1bod h LEU 49 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.99 1bod h LEU 49 Cb 0.00 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.22 1bod h LEU 49 CO 0.00 0.00 -0.21 0.15 -4.11 0.00 0.00 178.44 174.27 1bod h PHE 50 N 0.00 0.00 -0.51 0.17 3.57 -1.85 -3.29 116.94 115.03 1bod h PHE 50 Ca 0.03 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.67 1bod h PHE 50 Cb 0.11 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 1bod h PHE 50 CO 0.00 0.04 0.78 1.05 -2.23 0.00 0.00 178.31 177.95 1bod h GLU 51 N -1.00 0.00 -0.50 1.11 -0.00 -1.68 0.40 114.58 112.91 1bod h GLU 51 Ca -0.00 0.00 0.10 0.00 -0.00 0.00 0.00 59.36 59.46 1bod h GLU 51 Cb 0.23 0.00 -0.09 0.00 -0.00 0.00 0.00 28.75 28.90 1bod h GLU 51 CO -0.00 0.00 -0.06 0.93 -0.00 0.00 0.00 179.01 179.88 1bod h GLU 52 N 0.00 0.06 0.00 1.06 4.39 -0.99 -2.94 114.58 116.16 1bod h GLU 52 Ca 0.24 -0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.87 1bod h GLU 52 Cb 1.81 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.43 1bod h GLU 52 CO -0.00 0.04 -1.47 1.28 -1.16 0.00 0.00 179.01 177.70 1bod n LEU 53 N -5.29 0.00 0.00 1.33 4.32 0.06 -4.46 117.00 112.96 1bod n LEU 53 Ca 0.05 0.00 0.01 0.00 -0.02 0.00 0.00 56.01 56.05 1bod n LEU 53 Cb 0.27 0.09 0.07 0.00 -1.62 0.00 0.00 43.42 42.24 1bod n LEU 53 CO 0.13 0.09 0.24 -0.67 -1.22 0.00 0.00 177.39 175.96 1bod n ASP 54 N -2.04 0.00 0.00 -1.43 2.03 0.12 -2.17 116.55 113.06 1bod n ASP 54 Ca -0.07 -0.50 0.00 0.00 0.52 0.00 0.00 54.79 54.74 1bod n ASP 54 Cb 0.48 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 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 -0.63 0.00 -3.02 -0.67 2.85 -1.12 -3.07 118.16 112.50 1bod n LYS 55 Ca 0.02 0.33 -0.28 0.00 -1.05 0.00 0.00 58.31 57.33 1bod n LYS 55 Cb 0.01 -0.68 -0.04 0.00 -0.65 0.00 0.00 35.03 33.66 1bod n LYS 55 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1bod n ASN 56 N -0.80 4.54 -1.90 -5.58 3.02 -1.26 -4.81 115.26 108.46 1bod n ASN 56 Ca 0.00 -3.64 -0.05 0.00 -0.03 0.00 0.00 54.58 50.86 1bod n ASN 56 Cb 0.00 -0.63 0.03 0.00 -0.61 0.00 0.00 39.78 38.57 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 0.01 0.21 1.56 7.41 0.00 -1.18 -4.96 105.19 108.25 1bod n GLY 57 Ca 0.32 -0.17 -0.02 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.85 -0.13 -0.06 1.61 -0.08 -1.20 -4.91 116.55 109.93 1bod n ASP 58 Ca -0.06 -2.03 0.01 0.00 -1.51 0.00 0.00 54.79 51.20 1bod n ASP 58 Cb 0.55 0.07 0.05 0.00 2.34 0.00 0.00 41.12 44.12 1bod n ASP 58 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1bod n GLY 59 N -0.09 -0.84 3.60 0.27 0.00 -0.92 -3.02 105.19 104.19 1bod n GLY 59 Ca -0.12 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.96 3.71 -0.39 1.61 2.02 -1.26 -4.54 118.70 117.90 1bod s GLU 60 Ca 0.04 0.72 -0.09 0.00 0.02 0.00 0.00 54.97 55.66 1bod s GLU 60 Cb 0.02 -3.93 0.06 0.00 0.10 0.00 0.00 34.13 30.38 1bod s GLU 60 CO 0.03 -1.40 0.20 0.08 0.02 0.00 0.00 175.26 174.19 1bod s VAL 61 N 4.67 4.15 0.00 2.63 1.01 -1.12 -4.79 120.40 126.96 1bod s VAL 61 Ca 0.52 -1.22 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1bod s VAL 61 Cb -0.09 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.84 1bod s VAL 61 CO 0.31 -0.36 0.00 -1.54 0.00 0.00 0.00 175.10 173.51 1bod n SER 62 N 4.90 -0.15 0.00 3.32 3.41 -1.26 -1.79 113.62 122.05 1bod n SER 62 Ca -0.11 -0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.26 1bod n SER 62 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 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 -0.87 0.00 -0.41 7.33 7.35 -1.26 -1.70 117.46 127.91 1bod n PHE 63 Ca 0.00 0.00 0.35 0.00 -0.76 0.00 0.00 57.45 57.04 1bod n PHE 63 Cb 0.00 -0.19 0.54 0.00 0.35 0.00 0.00 39.48 40.18 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 -1.08 0.01 -0.06 -4.13 1.02 -1.26 0.29 120.64 115.43 1bod n GLU 64 Ca 0.00 0.87 -0.06 0.00 -0.02 0.00 0.00 57.16 57.95 1bod n GLU 64 Cb 0.00 -2.08 -0.05 0.00 -0.02 0.00 0.00 31.44 29.30 1bod n GLU 64 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1bod h GLU 65 N 0.00 0.00 -0.32 3.49 4.57 -1.93 -3.35 114.58 117.04 1bod h GLU 65 Ca 0.62 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.65 1bod h GLU 65 Cb 2.82 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 31.40 1bod h GLU 65 CO -0.01 0.35 -0.39 0.35 -1.18 0.00 0.00 179.01 178.13 1bod h PHE 66 N -1.00 0.91 0.00 0.92 3.04 0.97 -3.04 116.94 118.74 1bod h PHE 66 Ca -0.03 -0.27 0.00 0.00 3.98 0.00 0.00 57.97 61.66 1bod h PHE 66 Cb 0.44 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.76 1bod h PHE 66 CO 0.05 1.03 0.06 -0.56 -2.02 0.00 0.00 178.31 176.87 1bod h GLN 67 N 0.62 0.00 0.01 1.11 -0.00 0.42 2.53 115.11 119.79 1bod h GLN 67 Ca 0.05 0.00 -0.24 0.00 -0.00 0.00 0.00 58.65 58.46 1bod h GLN 67 Cb 0.94 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 28.39 1bod h GLN 67 CO 0.09 0.00 -1.26 -0.24 -0.00 0.00 0.00 178.83 177.41 1bod h VAL 68 N 0.00 1.40 -0.39 1.86 3.04 -1.66 -3.24 116.25 117.25 1bod h VAL 68 Ca 0.00 -3.15 0.08 0.00 -1.01 0.00 0.00 66.70 62.61 1bod h VAL 68 Cb 0.12 2.70 -0.09 0.00 -2.01 0.00 0.00 31.29 32.01 1bod h VAL 68 CO 0.00 0.80 -0.37 0.25 -1.01 0.00 0.00 177.57 177.25 1bod h LEU 69 N 0.00 -1.22 -1.82 3.16 5.85 0.43 0.32 115.31 122.03 1bod h LEU 69 Ca -0.11 0.20 0.17 0.00 0.84 0.00 0.00 57.88 58.98 1bod h LEU 69 Cb 1.86 0.55 -0.04 0.00 0.37 0.00 0.00 40.66 43.41 1bod h LEU 69 CO 0.11 -0.34 0.47 1.62 -0.34 0.00 0.00 178.44 179.97 1bod h VAL 70 N -0.29 0.73 0.00 1.05 3.04 -1.21 0.24 116.25 119.81 1bod h VAL 70 Ca 0.16 -0.06 -0.18 0.00 -1.01 0.00 0.00 66.70 65.61 1bod h VAL 70 Cb 0.56 0.54 -0.03 0.00 -2.01 0.00 0.00 31.29 30.36 1bod h VAL 70 CO -0.55 0.03 -0.86 0.50 -1.01 0.00 0.00 177.57 175.68 1bod h LYS 71 N 0.17 0.00 0.00 4.17 3.64 -0.53 -3.03 116.57 120.98 1bod h LYS 71 Ca 0.33 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1bod h LYS 71 Cb 1.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1bod h LYS 71 CO -0.05 0.86 0.00 -0.22 -2.27 0.00 0.00 179.45 177.76 1bod h LYS 72 N 0.00 0.00 0.00 1.90 1.63 0.12 -2.92 116.57 117.30 1bod h LYS 72 Ca -0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1bod h LYS 72 Cb 1.61 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.24 1bod h LYS 72 CO 0.11 0.00 0.00 -0.89 -3.45 0.00 0.00 179.45 175.22 1bod n ILE 73 N -2.76 0.00 -3.60 2.00 5.41 -0.25 -4.18 119.36 115.98 1bod n ILE 73 Ca 0.04 0.00 -0.27 0.00 1.00 0.00 0.00 62.75 63.52 1bod n ILE 73 Cb 0.43 -0.28 -0.10 0.00 -0.71 0.00 0.00 39.64 38.98 1bod n ILE 73 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1bod n SER 74 N -0.77 1.63 0.00 4.38 3.41 -1.10 -5.07 113.62 116.09 1bod n SER 74 Ca 0.13 -2.90 0.14 0.00 -0.26 0.00 0.00 58.87 55.98 1bod n SER 74 Cb 0.06 -0.66 0.81 0.00 -0.26 0.00 0.00 64.21 64.16 1bod n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88