#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oyy n TRP 2 N 0.00 0.77 -3.82 4.78 4.27 -1.26 -4.62 117.44 117.57 2oyy n TRP 2 Ca 0.00 0.23 -0.32 0.00 -3.89 0.00 0.00 57.50 53.52 2oyy n TRP 2 Cb 0.00 -0.90 -0.11 0.00 -1.36 0.00 0.00 31.31 28.95 2oyy n TRP 2 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 2oyy s LEU 3 N -5.27 4.97 0.08 5.67 2.96 -1.26 -4.95 118.68 120.88 2oyy s LEU 3 Ca -0.02 -3.49 -0.19 0.00 -0.22 0.00 0.00 54.13 50.20 2oyy s LEU 3 Cb 0.10 -1.74 -0.09 0.00 0.50 0.00 0.00 46.19 44.96 2oyy s LEU 3 CO 0.82 -0.18 1.53 1.55 -1.32 0.00 0.00 176.35 178.74 2oyy h PRO 4 N 6.04 0.39 -3.59 0.98 0.13 -2.02 -3.48 132.00 130.46 2oyy h PRO 4 Ca 0.08 -0.12 -0.15 0.00 -0.87 0.00 0.00 66.00 64.94 2oyy h PRO 4 Cb 0.83 -0.04 -0.04 0.00 0.13 0.00 0.00 31.00 31.88 2oyy h PRO 4 CO 0.74 0.56 0.03 0.95 -0.23 0.00 0.00 178.00 180.05 2oyy s THR 5 N -5.07 0.00 -0.18 1.56 -4.23 -1.26 -5.04 115.64 101.41 2oyy s THR 5 Ca -0.14 -1.31 0.13 0.00 -1.18 0.00 0.00 61.69 59.19 2oyy s THR 5 Cb 0.07 -2.73 -0.18 0.00 1.34 0.00 0.00 72.50 71.00 2oyy s THR 5 CO 0.74 0.00 0.36 0.18 -0.54 0.00 0.00 174.62 175.35 2oyy n LEU 6 N -0.55 0.17 -4.76 4.79 4.77 -1.26 -4.99 117.00 115.17 2oyy n LEU 6 Ca -0.03 -0.15 -0.41 0.00 -0.03 0.00 0.00 56.01 55.39 2oyy n LEU 6 Cb 0.61 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.69 2oyy n LEU 6 CO 0.28 0.04 1.17 -0.69 -1.33 0.00 0.00 177.39 176.86 2oyy s VAL 7 N -2.69 2.16 0.02 4.08 1.01 -1.26 -4.76 120.40 118.96 2oyy s VAL 7 Ca -0.02 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.11 2oyy s VAL 7 Cb 0.09 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 2oyy s VAL 7 CO 0.53 0.03 -0.04 -0.89 0.00 0.00 0.00 175.10 174.73 2oyy s THR 8 N -0.57 0.23 0.15 3.92 2.01 -1.26 -5.07 115.64 115.05 2oyy s THR 8 Ca 0.57 -0.91 -0.14 0.00 0.31 0.00 0.00 61.69 61.53 2oyy s THR 8 Cb -0.46 -0.35 0.03 0.00 0.01 0.00 0.00 72.50 71.73 2oyy s THR 8 CO 0.55 -0.43 1.69 0.00 -0.69 0.00 0.00 174.62 175.73 2oyy h ALA 9 N 4.70 0.64 -3.35 7.40 0.00 -1.95 -3.46 119.26 123.23 2oyy h ALA 9 Ca -0.33 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.22 2oyy h ALA 9 Cb 1.21 -0.19 -0.25 0.00 0.00 0.00 0.00 17.79 18.56 2oyy h ALA 9 CO 0.41 0.26 -0.65 0.95 0.00 0.00 0.00 179.25 180.22 2oyy s THR 10 N -5.49 0.04 0.36 0.00 -4.23 -1.26 -5.02 115.64 100.03 2oyy s THR 10 Ca -0.13 -0.32 0.18 0.00 -1.18 0.00 0.00 61.69 60.25 2oyy s THR 10 Cb 0.11 -0.16 0.34 0.00 1.34 0.00 0.00 72.50 74.13 2oyy s THR 10 CO 0.78 -0.17 1.61 -0.65 -0.54 0.00 0.00 174.62 175.64 2oyy h PRO 11 N 5.50 0.12 -0.04 3.99 0.11 -1.94 0.48 132.00 140.23 2oyy h PRO 11 Ca -0.27 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.86 2oyy h PRO 11 Cb 1.21 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 2oyy h PRO 11 CO 0.45 0.08 -0.16 0.37 -0.21 0.00 0.00 178.00 178.53 2oyy h GLN 12 N 0.12 -0.23 -0.09 1.05 4.15 -2.00 0.16 115.11 118.28 2oyy h GLN 12 Ca 0.80 0.02 0.03 0.00 0.77 0.00 0.00 58.65 60.26 2oyy h GLN 12 Cb 2.02 0.05 -0.00 0.00 0.21 0.00 0.00 27.48 29.76 2oyy h GLN 12 CO -0.71 -0.16 0.12 0.93 -1.93 0.00 0.00 178.83 177.08 2oyy h GLU 13 N -0.24 0.00 -0.17 1.69 5.08 -0.49 -1.52 114.58 118.92 2oyy h GLU 13 Ca 0.06 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2oyy h GLU 13 Cb 0.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2oyy h GLU 13 CO -0.18 0.00 0.01 0.78 -1.00 0.00 0.00 179.01 178.63 2oyy h GLY 14 N 0.00 0.32 0.90 -3.84 0.00 0.53 -2.68 103.07 98.29 2oyy h GLY 14 Ca 0.04 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 2oyy h GLY 14 CO -0.00 0.21 -0.11 -2.75 0.00 0.00 0.00 176.54 173.88 2oyy h PHE 15 N 0.06 -0.29 -0.56 5.60 3.57 -0.38 -1.84 116.94 123.11 2oyy h PHE 15 Ca 0.05 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.68 2oyy h PHE 15 Cb 0.35 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 2oyy h PHE 15 CO 0.03 -0.18 0.39 -0.44 -2.23 0.00 0.00 178.31 175.88 2oyy h ASP 16 N -0.27 0.19 -0.20 0.41 3.32 -1.46 0.39 116.42 118.81 2oyy h ASP 16 Ca -0.01 0.01 -0.20 0.00 0.02 0.00 0.00 57.03 56.85 2oyy h ASP 16 Cb 0.24 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.76 2oyy h ASP 16 CO -0.01 0.11 -0.64 0.25 -1.72 0.00 0.00 179.24 177.23 2oyy h LEU 17 N 0.21 0.93 -0.62 1.55 5.85 -1.11 -1.32 115.31 120.80 2oyy h LEU 17 Ca 0.27 -0.54 -0.03 0.00 0.84 0.00 0.00 57.88 58.42 2oyy h LEU 17 Cb 0.77 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 2oyy h LEU 17 CO -0.05 1.33 0.27 0.00 -0.34 0.00 0.00 178.44 179.66 2oyy h ALA 18 N 0.67 0.80 -0.63 1.25 0.00 0.51 0.23 119.26 122.08 2oyy h ALA 18 Ca -0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2oyy h ALA 18 Cb 1.25 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 2oyy h ALA 18 CO 0.14 0.39 0.25 0.28 0.00 0.00 0.00 179.25 180.30 2oyy h VAL 19 N 0.85 1.22 -0.10 0.00 2.07 -0.95 0.47 116.25 119.81 2oyy h VAL 19 Ca 0.21 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 2oyy h VAL 19 Cb 0.16 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2oyy h VAL 19 CO -0.02 0.28 0.02 0.50 0.02 0.00 0.00 177.57 178.37 2oyy h LYS 20 N 0.91 0.17 -0.61 1.57 3.64 0.02 -2.33 116.57 119.94 2oyy h LYS 20 Ca 0.21 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2oyy h LYS 20 Cb 0.18 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 2oyy h LYS 20 CO -0.02 0.37 0.34 -0.07 -2.27 0.00 0.00 179.45 177.80 2oyy h LEU 21 N -0.05 0.75 -1.30 5.20 3.38 -0.49 -0.78 115.31 122.02 2oyy h LEU 21 Ca 0.03 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 2oyy h LEU 21 Cb 0.28 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2oyy h LEU 21 CO 0.00 0.60 -0.02 0.28 0.09 0.00 0.00 178.44 179.39 2oyy h SER 22 N 0.85 0.41 0.58 -0.43 0.02 -0.73 -3.25 113.55 111.01 2oyy h SER 22 Ca 0.22 -0.07 -0.28 0.00 -0.84 0.00 0.00 61.79 60.81 2oyy h SER 22 Cb 0.02 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 2oyy h SER 22 CO -0.04 0.49 -1.41 0.03 -1.14 0.00 0.00 176.83 174.77 2oyy h ARG 23 N 0.43 0.19 -0.05 3.45 3.08 -0.63 -3.35 114.38 117.49 2oyy h ARG 23 Ca 0.09 -0.32 -0.13 0.00 0.07 0.00 0.00 59.98 59.69 2oyy h ARG 23 Cb 0.31 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 2oyy h ARG 23 CO 0.01 1.06 -0.56 -0.84 -1.07 0.00 0.00 179.97 178.57 2oyy h ILE 24 N 0.05 1.38 -0.02 2.04 -0.00 -1.27 -0.75 117.51 118.94 2oyy h ILE 24 Ca -0.19 -1.89 -0.01 0.00 -0.00 0.00 0.00 64.86 62.77 2oyy h ILE 24 Cb 1.97 1.96 -0.00 0.00 -0.00 0.00 0.00 36.82 40.75 2oyy h ILE 24 CO 0.16 0.55 -0.02 0.00 -0.00 0.00 0.00 178.15 178.84 2oyy h ALA 25 N 1.30 1.93 0.46 0.16 0.00 -1.69 0.17 119.26 121.58 2oyy h ALA 25 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2oyy h ALA 25 Cb 1.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2oyy h ALA 25 CO 0.08 0.06 -0.22 0.28 0.00 0.00 0.00 179.25 179.45 2oyy h VAL 26 N 0.03 0.33 -0.81 0.00 2.07 -1.29 -2.94 116.25 113.63 2oyy h VAL 26 Ca 0.01 -0.54 0.18 0.00 0.82 0.00 0.00 66.70 67.17 2oyy h VAL 26 Cb 0.06 0.49 -0.11 0.00 -1.52 0.00 0.00 31.29 30.20 2oyy h VAL 26 CO 0.00 0.06 0.28 0.50 0.02 0.00 0.00 177.57 178.43 2oyy h LYS 27 N -1.02 0.33 -0.42 1.57 3.64 -0.73 0.31 116.57 120.25 2oyy h LYS 27 Ca -0.06 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.15 2oyy h LYS 27 Cb 0.57 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 2oyy h LYS 27 CO 0.10 0.22 -0.30 0.87 -2.27 0.00 0.00 179.45 178.08 2oyy h LYS 28 N 0.34 0.94 0.00 1.90 1.57 -0.77 -1.54 116.57 119.00 2oyy h LYS 28 Ca 0.47 -0.44 -0.14 0.00 -1.87 0.00 0.00 60.65 58.67 2oyy h LYS 28 Cb 0.84 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 2oyy h LYS 28 CO -0.51 1.10 -0.88 1.79 -0.57 0.00 0.00 179.45 180.38 2oyy h THR 29 N 0.79 0.87 -2.84 -0.16 1.35 -1.14 -3.38 112.91 108.39 2oyy h THR 29 Ca 0.09 -2.32 -0.61 0.00 -0.55 0.00 0.00 66.41 63.01 2oyy h THR 29 Cb 0.87 2.36 -0.40 0.00 -1.73 0.00 0.00 68.15 69.25 2oyy h THR 29 CO 0.08 0.49 -0.75 -1.58 -0.25 0.00 0.00 175.52 173.52 2oyy s GLN 30 N -2.91 1.62 0.49 4.72 2.00 0.10 -4.98 119.66 120.71 2oyy s GLN 30 Ca 0.01 -2.55 0.28 0.00 -2.00 0.00 0.00 55.36 51.10 2oyy s GLN 30 Cb 0.08 -2.48 1.14 0.00 0.80 0.00 0.00 33.01 32.55 2oyy s GLN 30 CO 0.78 -1.27 1.91 -1.00 -0.50 0.00 0.00 175.29 175.20 2oyy h PRO 31 N 5.90 0.00 -5.70 1.67 0.13 -1.47 -3.40 132.00 129.13 2oyy h PRO 31 Ca 0.13 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.96 2oyy h PRO 31 Cb 0.86 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.94 2oyy h PRO 31 CO 0.54 0.14 0.78 0.34 -0.23 0.00 0.00 178.00 179.57 2oyy s ASP 32 N -6.01 5.16 0.54 1.44 3.68 -1.26 -4.81 116.67 115.40 2oyy s ASP 32 Ca 0.00 -0.79 0.35 0.00 2.13 0.00 0.00 52.55 54.24 2oyy s ASP 32 Cb 0.10 -2.56 1.52 0.00 -1.45 0.00 0.00 42.92 40.53 2oyy s ASP 32 CO 0.60 -2.75 1.82 0.00 0.13 0.00 0.00 175.17 174.97 2oyy h ALA 33 N 11.10 3.03 -0.64 3.66 0.00 -1.97 0.22 119.26 134.68 2oyy h ALA 33 Ca 0.11 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2oyy h ALA 33 Cb 1.00 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 2oyy h ALA 33 CO 1.22 -1.36 0.28 0.37 0.00 0.00 0.00 179.25 179.76 2oyy h GLN 34 N 0.02 0.93 -0.05 0.00 4.15 -1.96 -2.39 115.11 115.79 2oyy h GLN 34 Ca 0.54 -0.15 -0.18 0.00 0.77 0.00 0.00 58.65 59.63 2oyy h GLN 34 Cb 2.12 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 29.64 2oyy h GLN 34 CO -0.02 0.76 -0.74 -0.39 -1.93 0.00 0.00 178.83 176.51 2oyy h VAL 35 N 0.88 1.41 -0.29 2.39 -1.51 -0.95 -2.70 116.25 115.48 2oyy h VAL 35 Ca 0.22 -2.22 0.01 0.00 -1.23 0.00 0.00 66.70 63.47 2oyy h VAL 35 Cb 0.15 2.18 -0.01 0.00 -2.13 0.00 0.00 31.29 31.48 2oyy h VAL 35 CO -0.02 0.66 0.19 0.03 -1.23 0.00 0.00 177.57 177.20 2oyy h ARG 36 N 0.21 0.34 -0.27 5.19 3.08 -1.38 -0.30 114.38 121.26 2oyy h ARG 36 Ca -0.03 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 2oyy h ARG 36 Cb 1.32 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.28 2oyy h ARG 36 CO 0.12 0.23 0.00 -0.44 -1.07 0.00 0.00 179.97 178.81 2oyy h ASP 37 N 0.36 0.46 0.06 7.04 3.32 -1.11 -1.53 116.42 125.01 2oyy h ASP 37 Ca 0.11 -0.31 0.01 0.00 0.02 0.00 0.00 57.03 56.86 2oyy h ASP 37 Cb 0.02 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2oyy h ASP 37 CO -0.02 0.65 -0.08 0.74 -1.72 0.00 0.00 179.24 178.81 2oyy h THR 38 N 0.25 0.81 -0.40 0.35 2.02 -1.10 -2.83 112.91 112.01 2oyy h THR 38 Ca 0.08 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.19 2oyy h THR 38 Cb 0.42 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 2oyy h THR 38 CO 0.01 0.00 -0.01 -0.07 0.37 0.00 0.00 175.52 175.82 2oyy h LEU 39 N -0.17 0.61 -0.54 2.58 3.38 -1.12 -2.42 115.31 117.63 2oyy h LEU 39 Ca 0.01 -0.13 0.08 0.00 0.09 0.00 0.00 57.88 57.92 2oyy h LEU 39 Cb 0.18 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 2oyy h LEU 39 CO -0.04 0.69 0.20 -0.09 0.09 0.00 0.00 178.44 179.29 2oyy h ARG 40 N 0.61 0.37 -0.99 1.13 9.65 -1.11 -0.32 114.38 123.72 2oyy h ARG 40 Ca 0.12 -0.02 0.26 0.00 -1.10 0.00 0.00 59.98 59.24 2oyy h ARG 40 Cb 0.40 -0.08 -0.07 0.00 -1.39 0.00 0.00 29.97 28.83 2oyy h ARG 40 CO 0.02 0.25 0.67 0.00 2.80 0.00 0.00 179.97 183.70 2oyy h ALA 41 N 1.36 2.47 0.03 2.80 0.00 -1.19 -1.59 119.26 123.15 2oyy h ALA 41 Ca 0.26 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.02 2oyy h ALA 41 Cb 0.29 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2oyy h ALA 41 CO -0.26 -0.80 -0.87 0.28 0.00 0.00 0.00 179.25 177.59 2oyy h VAL 42 N 0.26 1.25 0.00 0.00 2.07 -1.13 -3.38 116.25 115.33 2oyy h VAL 42 Ca 0.52 -2.30 -0.18 0.00 0.82 0.00 0.00 66.70 65.56 2oyy h VAL 42 Cb 1.55 2.76 -0.03 0.00 -1.52 0.00 0.00 31.29 34.06 2oyy h VAL 42 CO -0.16 0.52 -0.85 0.10 0.02 0.00 0.00 177.57 177.21 2oyy h TYR 43 N -0.80 0.00 0.00 1.57 -0.00 -1.16 -3.08 116.97 113.49 2oyy h TYR 43 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.51 2oyy h TYR 43 Cb 1.33 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.06 2oyy h TYR 43 CO 0.17 0.85 0.00 1.05 -0.00 0.00 0.00 178.16 180.22 2oyy h GLU 44 N 0.00 0.00 -0.01 0.10 4.11 -1.46 -0.13 114.58 117.19 2oyy h GLU 44 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2oyy h GLU 44 Cb 1.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.77 2oyy h GLU 44 CO 0.11 0.00 0.00 0.36 0.07 0.00 0.00 179.01 179.55 2oyy n LYS 45 N -2.79 2.15 -3.64 1.06 2.85 -1.17 -4.94 118.16 111.67 2oyy n LYS 45 Ca -0.02 -2.06 -0.39 0.00 -1.05 0.00 0.00 58.31 54.79 2oyy n LYS 45 Cb 0.10 -1.26 -0.12 0.00 -0.65 0.00 0.00 35.03 33.10 2oyy n LYS 45 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2oyy s ASP 46 N -1.94 5.59 0.20 -5.58 -1.08 -0.06 -4.98 116.67 108.81 2oyy s ASP 46 Ca 0.17 -0.90 -0.11 0.00 -0.52 0.00 0.00 52.55 51.19 2oyy s ASP 46 Cb 0.14 -1.99 0.24 0.00 -1.46 0.00 0.00 42.92 39.86 2oyy s ASP 46 CO 0.02 -0.32 1.73 0.00 0.52 0.00 0.00 175.17 177.11 2oyy h ALA 47 N 8.37 0.68 -0.45 3.66 0.00 -1.92 -1.45 119.26 128.14 2oyy h ALA 47 Ca -0.27 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2oyy h ALA 47 Cb 1.11 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 2oyy h ALA 47 CO 0.64 -0.25 0.22 -0.91 0.00 0.00 0.00 179.25 178.95 2oyy h ASN 48 N 0.32 0.59 0.21 0.00 -0.26 -1.93 -2.81 115.58 111.70 2oyy h ASN 48 Ca 0.28 -0.13 0.01 0.00 -0.56 0.00 0.00 56.30 55.90 2oyy h ASN 48 Cb 0.36 -0.15 -0.03 0.00 -1.06 0.00 0.00 38.32 37.44 2oyy h ASN 48 CO -0.32 0.55 -0.29 0.00 -1.06 0.00 0.00 177.43 176.32 2oyy h ALA 49 N 1.06 -0.55 -0.17 -0.83 0.00 -1.74 -2.31 119.26 114.72 2oyy h ALA 49 Ca 0.16 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.05 2oyy h ALA 49 Cb 0.12 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2oyy h ALA 49 CO -0.02 -0.85 0.16 -0.07 0.00 0.00 0.00 179.25 178.47 2oyy h LEU 50 N -0.56 0.00 0.03 0.00 3.38 -1.23 0.20 115.31 117.13 2oyy h LEU 50 Ca 0.01 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.76 2oyy h LEU 50 Cb 0.55 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.32 2oyy h LEU 50 CO -0.11 0.00 -0.89 0.40 0.09 0.00 0.00 178.44 177.92 2oyy h ILE 51 N 0.00 1.35 -0.41 1.22 2.04 -1.31 -2.64 117.51 117.76 2oyy h ILE 51 Ca 0.08 -2.24 -0.03 0.00 1.00 0.00 0.00 64.86 63.67 2oyy h ILE 51 Cb 0.41 2.58 -0.02 0.00 -0.74 0.00 0.00 36.82 39.05 2oyy h ILE 51 CO -0.00 0.67 0.12 0.00 0.00 0.00 0.00 178.15 178.94 2oyy h ALA 52 N 0.32 1.44 -0.09 1.87 0.00 -0.25 -0.90 119.26 121.66 2oyy h ALA 52 Ca -0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2oyy h ALA 52 Cb 1.59 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 2oyy h ALA 52 CO 0.17 0.41 -0.02 0.28 0.00 0.00 0.00 179.25 180.10 2oyy h VAL 53 N 0.59 1.29 -0.90 0.00 2.07 -0.76 -1.98 116.25 116.55 2oyy h VAL 53 Ca 0.14 -0.94 0.12 0.00 0.82 0.00 0.00 66.70 66.84 2oyy h VAL 53 Cb 0.20 1.73 -0.08 0.00 -1.52 0.00 0.00 31.29 31.62 2oyy h VAL 53 CO -0.01 0.26 0.53 -1.28 0.02 0.00 0.00 177.57 177.10 2oyy h SER 54 N -0.15 0.75 -0.84 0.57 0.87 -1.14 -1.79 113.55 111.82 2oyy h SER 54 Ca 0.02 0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.66 2oyy h SER 54 Cb 0.42 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.26 2oyy h SER 54 CO 0.01 0.39 0.55 0.00 -0.53 0.00 0.00 176.83 177.25 2oyy h ALA 55 N 1.52 1.07 0.87 6.23 0.00 -0.84 0.12 119.26 128.23 2oyy h ALA 55 Ca 0.46 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.27 2oyy h ALA 55 Cb 0.49 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.97 2oyy h ALA 55 CO -0.28 0.44 -0.42 0.28 0.00 0.00 0.00 179.25 179.26 2oyy h VAL 56 N 1.10 0.10 -0.41 0.00 2.07 -0.58 -2.63 116.25 115.90 2oyy h VAL 56 Ca 0.32 -0.06 0.12 0.00 0.82 0.00 0.00 66.70 67.89 2oyy h VAL 56 Cb -0.09 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.78 2oyy h VAL 56 CO -0.08 0.00 0.39 1.62 0.02 0.00 0.00 177.57 179.52 2oyy h VAL 57 N -1.22 0.49 -0.41 2.57 3.04 -1.20 0.56 116.25 120.07 2oyy h VAL 57 Ca -0.12 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.53 2oyy h VAL 57 Cb 0.90 0.70 -0.02 0.00 -2.01 0.00 0.00 31.29 30.87 2oyy h VAL 57 CO 0.20 0.00 0.08 0.00 -1.01 0.00 0.00 177.57 176.84 2oyy h ALA 58 N 1.61 0.54 -0.17 3.17 0.00 -0.41 0.79 119.26 124.79 2oyy h ALA 58 Ca 0.19 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2oyy h ALA 58 Cb 0.97 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2oyy h ALA 58 CO -0.00 0.24 0.07 1.15 0.00 0.00 0.00 179.25 180.71 2oyy h THR 59 N 0.53 1.17 -0.48 0.00 2.02 -0.62 -2.57 112.91 112.95 2oyy h THR 59 Ca 0.13 -0.50 -0.07 0.00 0.77 0.00 0.00 66.41 66.74 2oyy h THR 59 Cb 0.35 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 2oyy h THR 59 CO 0.00 0.16 0.04 0.45 0.37 0.00 0.00 175.52 176.54 2oyy h HIS 60 N 0.12 0.88 0.00 3.16 3.86 -1.32 -2.62 115.15 119.24 2oyy h HIS 60 Ca 0.06 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.12 2oyy h HIS 60 Cb 0.19 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.42 2oyy h HIS 60 CO -0.01 0.83 -0.03 0.35 0.86 0.00 0.00 177.93 179.93 2oyy h PHE 61 N 0.68 0.00 -0.25 2.45 3.57 -0.71 0.12 116.94 122.80 2oyy h PHE 61 Ca 0.14 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.50 2oyy h PHE 61 Cb 0.45 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 2oyy h PHE 61 CO 0.03 0.03 -0.38 0.37 -2.23 0.00 0.00 178.31 176.14 2oyy h GLN 62 N 0.00 0.70 0.32 1.11 4.15 -1.09 -0.55 115.11 119.74 2oyy h GLN 62 Ca -0.00 -0.42 -0.02 0.00 0.77 0.00 0.00 58.65 58.99 2oyy h GLN 62 Cb 0.09 0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.82 2oyy h GLN 62 CO 0.00 1.04 -0.15 1.15 -1.93 0.00 0.00 178.83 178.94 2oyy h THR 63 N 0.42 0.71 -0.23 2.39 2.02 -0.81 -2.43 112.91 114.98 2oyy h THR 63 Ca 0.02 -0.42 -0.07 0.00 0.77 0.00 0.00 66.41 66.71 2oyy h THR 63 Cb 0.97 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 2oyy h THR 63 CO 0.09 0.08 -0.17 -0.29 0.37 0.00 0.00 175.52 175.60 2oyy h ILE 64 N -0.66 1.23 -0.80 3.11 2.10 -1.29 -1.87 117.51 119.33 2oyy h ILE 64 Ca -0.04 -1.05 0.04 0.00 1.08 0.00 0.00 64.86 64.89 2oyy h ILE 64 Cb 0.46 1.25 -0.05 0.00 -1.09 0.00 0.00 36.82 37.39 2oyy h ILE 64 CO 0.07 0.33 0.50 0.00 -1.08 0.00 0.00 178.15 177.97 2oyy h ALA 65 N 1.46 1.07 -0.28 0.18 0.00 -1.02 -1.58 119.26 119.09 2oyy h ALA 65 Ca 0.06 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 2oyy h ALA 65 Cb 0.52 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2oyy h ALA 65 CO 0.03 0.28 -0.48 0.00 0.00 0.00 0.00 179.25 179.07 2oyy h ALA 66 N 1.36 0.62 -0.55 0.00 0.00 -1.11 0.17 119.26 119.74 2oyy h ALA 66 Ca 0.33 -0.49 0.11 0.00 0.00 0.00 0.00 54.91 54.86 2oyy h ALA 66 Cb 0.08 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2oyy h ALA 66 CO -0.14 0.68 0.37 0.00 0.00 0.00 0.00 179.25 180.16 2oyy h ALA 67 N 0.85 2.13 -0.66 0.00 0.00 -0.49 -0.88 119.26 120.21 2oyy h ALA 67 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2oyy h ALA 67 Cb 1.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2oyy h ALA 67 CO 0.10 -0.26 0.00 0.09 0.00 0.00 0.00 179.25 179.18 2oyy n ASN 68 N -4.46 4.08 -4.27 0.00 4.13 -0.74 -4.80 115.26 109.21 2oyy n ASN 68 Ca 0.09 -2.19 -0.37 0.00 1.68 0.00 0.00 54.58 53.79 2oyy n ASN 68 Cb 0.41 -0.51 -0.04 0.00 -1.54 0.00 0.00 39.78 38.10 2oyy n ASN 68 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2oyy n ASP 69 N 1.31 -2.73 -0.17 6.41 4.64 -0.34 -0.95 116.55 124.73 2oyy n ASP 69 Ca 0.24 -1.06 -0.02 0.00 -1.38 0.00 0.00 54.79 52.56 2oyy n ASP 69 Cb 0.70 -2.54 -0.01 0.00 -1.04 0.00 0.00 41.12 38.23 2oyy n ASP 69 CO 0.00 0.00 0.00 -1.22 -0.82 0.00 0.00 177.20 175.16 2oyy n TYR 70 N -4.34 0.00 -0.54 -0.67 4.01 0.56 -5.03 117.16 111.16 2oyy n TYR 70 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 2oyy n TYR 70 Cb 0.50 -2.08 0.00 0.00 -0.31 0.00 0.00 39.34 37.45 2oyy n TYR 70 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31