#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 0.00 -3.46 1.09 4.27 -1.26 -4.72 117.44 113.37 2oyy n TRP 2 Ca 0.00 0.00 -0.36 0.00 -3.89 0.00 0.00 57.50 53.25 2oyy n TRP 2 Cb 0.00 -0.89 -0.05 0.00 -1.36 0.00 0.00 31.31 29.01 2oyy n TRP 2 CO 0.00 0.00 0.00 -0.11 -2.29 0.00 0.00 177.69 175.29 2oyy n LEU 3 N -2.81 4.62 -0.13 5.67 7.94 -1.26 -4.92 117.00 126.10 2oyy n LEU 3 Ca -0.33 -5.21 -0.11 0.00 -1.11 0.00 0.00 56.01 49.25 2oyy n LEU 3 Cb 1.05 -1.06 -0.02 0.00 0.53 0.00 0.00 43.42 43.92 2oyy n LEU 3 CO 0.34 1.68 0.69 1.55 -1.11 0.00 0.00 177.39 180.55 2oyy h PRO 4 N 5.52 0.77 -3.44 1.96 0.13 -2.03 -3.47 132.00 131.44 2oyy h PRO 4 Ca 0.18 -0.31 -0.06 0.00 -0.87 0.00 0.00 66.00 64.94 2oyy h PRO 4 Cb 0.74 -0.03 -0.13 0.00 0.13 0.00 0.00 31.00 31.70 2oyy h PRO 4 CO 0.96 0.93 -0.13 0.95 -0.23 0.00 0.00 178.00 180.48 2oyy s THR 5 N -4.72 0.08 -0.84 1.56 -4.23 -1.26 -5.02 115.64 101.21 2oyy s THR 5 Ca -0.12 -0.67 0.22 0.00 -1.18 0.00 0.00 61.69 59.94 2oyy s THR 5 Cb 0.10 -1.18 -0.16 0.00 1.34 0.00 0.00 72.50 72.60 2oyy s THR 5 CO 0.82 -0.37 1.01 0.18 -0.54 0.00 0.00 174.62 175.72 2oyy n LEU 6 N -0.15 0.73 -4.72 4.79 4.77 -1.26 -4.93 117.00 116.24 2oyy n LEU 6 Ca -0.16 -0.24 -0.42 0.00 -0.03 0.00 0.00 56.01 55.16 2oyy n LEU 6 Cb 0.63 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.61 2oyy n LEU 6 CO 0.18 0.16 1.09 -0.69 -1.33 0.00 0.00 177.39 176.80 2oyy s VAL 7 N -3.08 3.18 -0.01 4.08 1.01 -1.26 -4.74 120.40 119.58 2oyy s VAL 7 Ca 0.07 0.85 0.01 0.00 0.00 0.00 0.00 61.98 62.91 2oyy s VAL 7 Cb 0.16 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 33.00 2oyy s VAL 7 CO 0.82 0.07 -0.04 -0.89 0.00 0.00 0.00 175.10 175.05 2oyy s THR 8 N 1.09 0.40 0.08 3.92 2.01 -1.26 -5.08 115.64 116.79 2oyy s THR 8 Ca 0.65 -0.17 -0.35 0.00 0.31 0.00 0.00 61.69 62.14 2oyy s THR 8 Cb -0.38 -0.37 -0.18 0.00 0.01 0.00 0.00 72.50 71.58 2oyy s THR 8 CO 0.31 0.13 1.59 0.00 -0.69 0.00 0.00 174.62 175.96 2oyy h ALA 9 N 6.33 -1.06 -2.10 7.40 0.00 -1.94 -3.45 119.26 124.43 2oyy h ALA 9 Ca -0.31 -0.21 -0.60 0.00 0.00 0.00 0.00 54.91 53.79 2oyy h ALA 9 Cb 1.18 0.52 -0.12 0.00 0.00 0.00 0.00 17.79 19.36 2oyy h ALA 9 CO 0.50 -1.11 -0.69 0.95 0.00 0.00 0.00 179.25 178.89 2oyy s THR 10 N -5.99 2.66 0.47 0.00 -4.23 -1.26 -5.02 115.64 102.27 2oyy s THR 10 Ca -0.18 -2.19 0.18 0.00 -1.18 0.00 0.00 61.69 58.32 2oyy s THR 10 Cb 0.04 -2.57 0.35 0.00 1.34 0.00 0.00 72.50 71.66 2oyy s THR 10 CO 0.61 -0.32 1.99 -0.65 -0.54 0.00 0.00 174.62 175.71 2oyy h PRO 11 N 2.06 0.25 0.15 3.99 0.11 -1.95 -1.88 132.00 134.73 2oyy h PRO 11 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2oyy h PRO 11 Cb 1.25 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2oyy h PRO 11 CO 0.63 0.16 -0.14 0.37 -0.21 0.00 0.00 178.00 178.82 2oyy h GLN 12 N 0.25 -0.30 0.00 1.05 4.15 -1.99 -0.45 115.11 117.83 2oyy h GLN 12 Ca 0.26 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.70 2oyy h GLN 12 Cb 0.70 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.46 2oyy h GLN 12 CO -0.05 -0.20 0.00 0.39 -1.93 0.00 0.00 178.83 177.04 2oyy n GLU 13 N -5.26 0.10 0.02 1.69 1.02 -1.01 -1.41 120.64 115.79 2oyy n GLU 13 Ca -0.08 0.34 -0.15 0.00 -0.02 0.00 0.00 57.16 57.25 2oyy n GLU 13 Cb 0.18 -1.68 -0.04 0.00 -0.02 0.00 0.00 31.44 29.87 2oyy n GLU 13 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2oyy h GLY 14 N 2.36 0.67 1.55 0.62 0.00 -0.34 -2.87 103.07 105.07 2oyy h GLY 14 Ca 0.00 -1.03 -0.25 0.00 0.00 0.00 0.00 47.33 46.05 2oyy h GLY 14 CO 0.00 0.91 -1.09 -2.75 0.00 0.00 0.00 176.54 173.61 2oyy h PHE 15 N 0.39 0.60 -0.25 5.60 3.57 0.07 -1.17 116.94 125.76 2oyy h PHE 15 Ca -0.06 -0.37 -0.03 0.00 3.53 0.00 0.00 57.97 61.03 2oyy h PHE 15 Cb 1.46 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 40.14 2oyy h PHE 15 CO 0.07 1.23 0.03 -0.44 -2.23 0.00 0.00 178.31 176.97 2oyy h ASP 16 N 0.17 0.41 -0.60 0.41 3.32 -1.42 -0.56 116.42 118.14 2oyy h ASP 16 Ca -0.11 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 56.66 2oyy h ASP 16 Cb 1.76 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 41.17 2oyy h ASP 16 CO 0.19 0.58 0.37 0.25 -1.72 0.00 0.00 179.24 178.90 2oyy h LEU 17 N 0.22 0.72 -0.19 1.55 5.85 -1.52 0.01 115.31 121.97 2oyy h LEU 17 Ca 0.07 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.78 2oyy h LEU 17 Cb 0.35 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 2oyy h LEU 17 CO 0.01 0.56 -0.09 0.00 -0.34 0.00 0.00 178.44 178.58 2oyy h ALA 18 N 1.19 0.07 -0.46 1.25 0.00 -0.91 0.21 119.26 120.61 2oyy h ALA 18 Ca 0.22 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.27 2oyy h ALA 18 Cb -0.03 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 2oyy h ALA 18 CO -0.04 -0.52 0.11 0.28 0.00 0.00 0.00 179.25 179.08 2oyy h VAL 19 N -0.07 0.77 0.24 0.00 2.07 -0.72 -1.00 116.25 117.54 2oyy h VAL 19 Ca 0.10 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 2oyy h VAL 19 Cb 0.22 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 2oyy h VAL 19 CO -0.23 0.05 -0.17 0.50 0.02 0.00 0.00 177.57 177.74 2oyy h LYS 20 N 0.25 -0.39 -0.96 1.57 3.64 -0.02 -1.31 116.57 119.35 2oyy h LYS 20 Ca 0.22 0.03 0.20 0.00 -1.27 0.00 0.00 60.65 59.83 2oyy h LYS 20 Cb 0.27 0.09 -0.11 0.00 -0.41 0.00 0.00 32.23 32.07 2oyy h LYS 20 CO -0.28 -0.26 0.55 -0.07 -2.27 0.00 0.00 179.45 177.12 2oyy h LEU 21 N -0.41 0.66 -0.69 5.20 3.38 -0.31 0.27 115.31 123.40 2oyy h LEU 21 Ca -0.02 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.07 2oyy h LEU 21 Cb 0.35 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 2oyy h LEU 21 CO 0.01 0.19 0.46 0.28 0.09 0.00 0.00 178.44 179.46 2oyy h SER 22 N 0.65 0.80 0.05 -0.43 0.02 -0.07 -2.93 113.55 111.63 2oyy h SER 22 Ca 0.57 -0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 61.34 2oyy h SER 22 Cb 0.96 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 2oyy h SER 22 CO -0.42 0.58 -0.55 0.03 -1.14 0.00 0.00 176.83 175.32 2oyy h ARG 23 N 0.94 0.53 0.00 3.45 3.08 0.12 -3.16 114.38 119.34 2oyy h ARG 23 Ca 0.25 -0.34 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 2oyy h ARG 23 Cb -0.11 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 2oyy h ARG 23 CO -0.05 0.94 -0.27 -0.84 -1.07 0.00 0.00 179.97 178.68 2oyy h ILE 24 N 0.41 1.15 -0.88 2.04 -0.00 -0.72 -2.01 117.51 117.50 2oyy h ILE 24 Ca 0.01 -0.92 0.01 0.00 -0.00 0.00 0.00 64.86 63.96 2oyy h ILE 24 Cb 1.09 1.50 -0.04 0.00 -0.00 0.00 0.00 36.82 39.37 2oyy h ILE 24 CO 0.10 0.26 0.58 0.00 -0.00 0.00 0.00 178.15 179.10 2oyy h ALA 25 N 1.73 1.12 0.00 0.16 0.00 -1.51 0.58 119.26 121.35 2oyy h ALA 25 Ca -0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 2oyy h ALA 25 Cb 0.48 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2oyy h ALA 25 CO 0.03 0.51 -0.70 0.28 0.00 0.00 0.00 179.25 179.38 2oyy h VAL 26 N 1.19 1.33 -0.29 0.00 2.07 -1.55 -2.53 116.25 116.47 2oyy h VAL 26 Ca 0.33 -2.54 -0.13 0.00 0.82 0.00 0.00 66.70 65.18 2oyy h VAL 26 Cb -0.13 2.44 -0.00 0.00 -1.52 0.00 0.00 31.29 32.08 2oyy h VAL 26 CO -0.07 0.68 -0.33 0.50 0.02 0.00 0.00 177.57 178.37 2oyy h LYS 27 N 0.00 0.74 -0.37 1.57 3.64 -1.07 0.10 116.57 121.18 2oyy h LYS 27 Ca -0.01 -0.40 -0.06 0.00 -1.27 0.00 0.00 60.65 58.91 2oyy h LYS 27 Cb 1.38 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.21 2oyy h LYS 27 CO 0.09 1.03 -0.01 0.87 -2.27 0.00 0.00 179.45 179.16 2oyy h LYS 28 N 0.49 0.66 -0.09 1.90 1.57 -0.86 -2.92 116.57 117.32 2oyy h LYS 28 Ca 0.04 -0.22 -0.08 0.00 -1.87 0.00 0.00 60.65 58.53 2oyy h LYS 28 Cb 0.91 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.16 2oyy h LYS 28 CO 0.08 0.77 -0.24 1.79 -0.57 0.00 0.00 179.45 181.28 2oyy h THR 29 N 0.48 1.40 -3.50 -0.16 1.35 -1.42 -3.38 112.91 107.68 2oyy h THR 29 Ca 0.10 -1.56 -0.68 0.00 -0.55 0.00 0.00 66.41 63.72 2oyy h THR 29 Cb 0.48 2.18 -0.37 0.00 -1.73 0.00 0.00 68.15 68.70 2oyy h THR 29 CO 0.02 0.45 -0.50 -1.58 -0.25 0.00 0.00 175.52 173.66 2oyy s GLN 30 N -3.88 2.20 0.33 4.72 2.00 0.36 -4.97 119.66 120.42 2oyy s GLN 30 Ca -0.14 -2.36 0.19 0.00 -2.00 0.00 0.00 55.36 51.04 2oyy s GLN 30 Cb 0.04 -3.55 0.16 0.00 0.80 0.00 0.00 33.01 30.47 2oyy s GLN 30 CO 0.76 -1.12 1.44 -1.00 -0.50 0.00 0.00 175.29 174.88 2oyy h PRO 31 N 7.13 0.00 -5.39 1.67 0.13 -1.70 -3.38 132.00 130.46 2oyy h PRO 31 Ca -0.06 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.98 2oyy h PRO 31 Cb 0.96 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 2oyy h PRO 31 CO 0.69 0.23 0.24 0.34 -0.23 0.00 0.00 178.00 179.27 2oyy s ASP 32 N -6.22 4.13 0.58 1.44 3.68 -1.26 -4.77 116.67 114.25 2oyy s ASP 32 Ca 0.04 -0.41 0.30 0.00 2.13 0.00 0.00 52.55 54.61 2oyy s ASP 32 Cb 0.07 -2.56 1.42 0.00 -1.45 0.00 0.00 42.92 40.39 2oyy s ASP 32 CO 0.72 -3.77 1.80 0.00 0.13 0.00 0.00 175.17 174.05 2oyy h ALA 33 N 11.99 2.48 -0.03 3.66 0.00 -1.98 -0.54 119.26 134.84 2oyy h ALA 33 Ca 0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2oyy h ALA 33 Cb 1.00 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2oyy h ALA 33 CO 1.06 -1.00 0.00 0.37 0.00 0.00 0.00 179.25 179.69 2oyy h GLN 34 N 0.00 0.05 -0.14 0.00 4.15 -1.98 -1.70 115.11 115.48 2oyy h GLN 34 Ca 0.32 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.63 2oyy h GLN 34 Cb 1.61 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.29 2oyy h GLN 34 CO -0.00 0.34 -0.32 -0.39 -1.93 0.00 0.00 178.83 176.53 2oyy h VAL 35 N -0.25 1.27 -0.84 2.39 -1.51 -1.51 -0.98 116.25 114.83 2oyy h VAL 35 Ca 0.01 -1.31 0.08 0.00 -1.23 0.00 0.00 66.70 64.25 2oyy h VAL 35 Cb 0.32 1.52 -0.06 0.00 -2.13 0.00 0.00 31.29 30.94 2oyy h VAL 35 CO 0.00 0.40 0.55 0.03 -1.23 0.00 0.00 177.57 177.31 2oyy h ARG 36 N 0.25 0.84 -0.54 5.19 3.08 -1.35 -0.09 114.38 121.75 2oyy h ARG 36 Ca 0.03 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 2oyy h ARG 36 Cb 0.69 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 2oyy h ARG 36 CO 0.05 0.56 0.14 -0.44 -1.07 0.00 0.00 179.97 179.21 2oyy h ASP 37 N 0.87 0.81 -0.76 7.04 3.32 -0.23 -2.18 116.42 125.29 2oyy h ASP 37 Ca 0.37 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2oyy h ASP 37 Cb 0.32 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 2oyy h ASP 37 CO -0.14 0.83 0.49 0.74 -1.72 0.00 0.00 179.24 179.44 2oyy h THR 38 N 0.76 1.20 0.00 0.35 2.02 -0.55 -2.91 112.91 113.78 2oyy h THR 38 Ca 0.17 -0.39 -0.12 0.00 0.77 0.00 0.00 66.41 66.84 2oyy h THR 38 Cb 0.33 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 2oyy h THR 38 CO 0.00 0.20 -0.59 -0.07 0.37 0.00 0.00 175.52 175.43 2oyy h LEU 39 N 1.03 0.00 -0.55 2.58 3.38 -1.22 -2.95 115.31 117.59 2oyy h LEU 39 Ca 0.28 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.32 2oyy h LEU 39 Cb -0.09 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 2oyy h LEU 39 CO -0.06 0.56 0.23 -0.09 0.09 0.00 0.00 178.44 179.18 2oyy h ARG 40 N 0.00 0.42 0.00 1.13 9.65 -1.20 -0.62 114.38 123.77 2oyy h ARG 40 Ca -0.01 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 2oyy h ARG 40 Cb 1.44 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.92 2oyy h ARG 40 CO 0.07 0.28 0.00 0.00 2.80 0.00 0.00 179.97 183.12 2oyy h ALA 41 N 1.35 1.00 0.02 2.80 0.00 -1.43 -1.18 119.26 121.82 2oyy h ALA 41 Ca 0.27 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.80 2oyy h ALA 41 Cb 0.27 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 2oyy h ALA 41 CO -0.24 0.00 -2.15 0.28 0.00 0.00 0.00 179.25 177.14 2oyy n VAL 42 N -2.89 1.56 0.06 0.00 0.31 -0.38 -4.56 118.33 112.44 2oyy n VAL 42 Ca -0.02 -0.39 -0.09 0.00 -0.01 0.00 0.00 64.34 63.83 2oyy n VAL 42 Cb 0.11 -1.78 -0.12 0.00 -0.91 0.00 0.00 33.84 31.13 2oyy n VAL 42 CO 0.00 0.00 0.00 0.10 -1.32 0.00 0.00 176.83 175.61 2oyy h TYR 43 N -0.58 0.09 0.00 3.52 -0.00 -1.02 -3.20 116.97 115.77 2oyy h TYR 43 Ca -0.55 -0.06 0.00 0.00 -0.00 0.00 0.00 58.73 58.12 2oyy h TYR 43 Cb 1.68 -0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.41 2oyy h TYR 43 CO 0.01 1.05 0.00 1.05 -0.00 0.00 0.00 178.16 180.27 2oyy h GLU 44 N 0.01 0.00 -0.17 0.10 4.11 -1.45 0.28 114.58 117.46 2oyy h GLU 44 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.38 2oyy h GLU 44 Cb 1.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.07 2oyy h GLU 44 CO 0.14 0.00 0.00 0.36 0.07 0.00 0.00 179.01 179.58 2oyy n LYS 45 N -2.69 2.59 -4.22 1.06 2.85 -1.23 -4.97 118.16 111.56 2oyy n LYS 45 Ca -0.01 -2.22 -0.35 0.00 -1.05 0.00 0.00 58.31 54.68 2oyy n LYS 45 Cb 0.11 -1.39 -0.10 0.00 -0.65 0.00 0.00 35.03 33.00 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 -1.62 5.32 -0.08 -5.58 -1.08 0.09 -5.02 116.67 108.70 2oyy s ASP 46 Ca 0.24 0.07 -0.19 0.00 -0.52 0.00 0.00 52.55 52.15 2oyy s ASP 46 Cb 0.18 -1.76 -0.15 0.00 -1.46 0.00 0.00 42.92 39.72 2oyy s ASP 46 CO 0.07 0.25 0.70 0.00 0.52 0.00 0.00 175.17 176.72 2oyy h ALA 47 N 6.09 -0.13 -0.75 3.66 0.00 -1.93 -2.43 119.26 123.76 2oyy h ALA 47 Ca -0.41 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 54.34 2oyy h ALA 47 Cb 1.18 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 2oyy h ALA 47 CO 0.63 -0.18 0.49 -0.91 0.00 0.00 0.00 179.25 179.28 2oyy h ASN 48 N -0.91 0.62 -0.59 0.00 -0.26 -1.95 -1.45 115.58 111.04 2oyy h ASN 48 Ca -0.01 0.01 -0.08 0.00 -0.56 0.00 0.00 56.30 55.66 2oyy h ASN 48 Cb 0.54 -0.12 -0.03 0.00 -1.06 0.00 0.00 38.32 37.66 2oyy h ASN 48 CO 0.02 0.38 0.08 0.00 -1.06 0.00 0.00 177.43 176.85 2oyy h ALA 49 N 1.61 0.97 -0.24 -0.83 0.00 -1.85 -1.30 119.26 117.63 2oyy h ALA 49 Ca 0.34 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 2oyy h ALA 49 Cb 0.41 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2oyy h ALA 49 CO -0.12 0.64 -0.52 -0.07 0.00 0.00 0.00 179.25 179.18 2oyy h LEU 50 N 0.96 0.74 -0.32 0.00 3.38 -0.78 -0.94 115.31 118.34 2oyy h LEU 50 Ca 0.19 -0.38 -0.14 0.00 0.09 0.00 0.00 57.88 57.64 2oyy h LEU 50 Cb 0.44 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 2oyy h LEU 50 CO 0.01 1.12 -0.34 0.40 0.09 0.00 0.00 178.44 179.73 2oyy h ILE 51 N 0.52 1.29 0.00 1.22 2.04 -1.30 -0.69 117.51 120.60 2oyy h ILE 51 Ca 0.02 -1.51 0.02 0.00 1.00 0.00 0.00 64.86 64.39 2oyy h ILE 51 Cb 1.08 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.65 2oyy h ILE 51 CO 0.10 0.49 -0.14 0.00 0.00 0.00 0.00 178.15 178.61 2oyy h ALA 52 N 0.72 -0.16 -0.42 1.87 0.00 -1.17 -1.70 119.26 118.40 2oyy h ALA 52 Ca 0.05 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.05 2oyy h ALA 52 Cb 0.92 0.24 -0.09 0.00 0.00 0.00 0.00 17.79 18.87 2oyy h ALA 52 CO 0.08 -0.63 -0.22 0.28 0.00 0.00 0.00 179.25 178.76 2oyy h VAL 53 N -0.24 0.38 -0.79 0.00 2.07 -0.99 0.22 116.25 116.90 2oyy h VAL 53 Ca 0.05 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.72 2oyy h VAL 53 Cb 0.30 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 2oyy h VAL 53 CO -0.14 0.00 0.52 -1.28 0.02 0.00 0.00 177.57 176.70 2oyy h SER 54 N -0.14 0.41 0.05 0.57 0.87 -0.79 -2.47 113.55 112.05 2oyy h SER 54 Ca 0.20 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.78 2oyy h SER 54 Cb 0.45 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2oyy h SER 54 CO -0.50 0.21 -0.02 0.00 -0.53 0.00 0.00 176.83 175.98 2oyy h ALA 55 N 1.64 -0.07 -0.46 6.23 0.00 -0.04 -1.07 119.26 125.50 2oyy h ALA 55 Ca 0.39 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.26 2oyy h ALA 55 Cb 0.88 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.62 2oyy h ALA 55 CO -0.13 -0.41 -0.10 0.28 0.00 0.00 0.00 179.25 178.89 2oyy h VAL 56 N -0.32 0.56 0.00 0.00 2.07 -0.96 -0.17 116.25 117.43 2oyy h VAL 56 Ca -0.01 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 2oyy h VAL 56 Cb 0.29 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 2oyy h VAL 56 CO 0.01 0.00 -0.23 -0.37 0.02 0.00 0.00 177.57 177.00 2oyy h VAL 57 N 0.02 0.87 -0.18 2.57 -1.51 -1.45 -1.22 116.25 115.35 2oyy h VAL 57 Ca 0.22 -0.89 -0.16 0.00 -1.23 0.00 0.00 66.70 64.64 2oyy h VAL 57 Cb 0.34 1.53 -0.01 0.00 -2.13 0.00 0.00 31.29 31.02 2oyy h VAL 57 CO -0.46 0.23 -0.54 0.00 -1.23 0.00 0.00 177.57 175.57 2oyy h ALA 58 N 1.77 0.73 -0.45 5.19 0.00 0.27 0.28 119.26 127.05 2oyy h ALA 58 Ca -0.00 -0.51 -0.09 0.00 0.00 0.00 0.00 54.91 54.31 2oyy h ALA 58 Cb 0.51 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2oyy h ALA 58 CO 0.03 0.69 -0.07 1.15 0.00 0.00 0.00 179.25 181.05 2oyy h THR 59 N 0.40 1.27 -0.17 0.00 2.02 -0.64 -2.77 112.91 113.03 2oyy h THR 59 Ca 0.01 -1.16 -0.05 0.00 0.77 0.00 0.00 66.41 65.97 2oyy h THR 59 Cb 1.07 1.12 -0.00 0.00 -1.74 0.00 0.00 68.15 68.59 2oyy h THR 59 CO 0.10 0.40 -0.10 0.45 0.37 0.00 0.00 175.52 176.74 2oyy h HIS 60 N 0.67 0.43 -0.68 3.16 3.86 -0.79 -2.90 115.15 118.90 2oyy h HIS 60 Ca 0.12 -0.11 0.09 0.00 -1.16 0.00 0.00 60.37 59.31 2oyy h HIS 60 Cb 0.60 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 28.93 2oyy h HIS 60 CO 0.05 0.69 0.45 0.35 0.86 0.00 0.00 177.93 180.33 2oyy h PHE 61 N 0.04 0.60 -0.70 2.45 3.57 -0.53 -0.22 116.94 122.16 2oyy h PHE 61 Ca 0.04 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.57 2oyy h PHE 61 Cb 0.59 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.10 2oyy h PHE 61 CO 0.07 0.29 0.46 0.37 -2.23 0.00 0.00 178.31 177.27 2oyy h GLN 62 N 0.57 0.88 0.19 1.11 4.15 -1.29 0.14 115.11 120.86 2oyy h GLN 62 Ca 0.31 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.67 2oyy h GLN 62 Cb 0.46 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.95 2oyy h GLN 62 CO -0.10 0.58 -0.09 1.15 -1.93 0.00 0.00 178.83 178.44 2oyy h THR 63 N 0.91 0.66 -0.51 2.39 2.02 -0.93 -3.00 112.91 114.45 2oyy h THR 63 Ca 0.26 -1.06 -0.07 0.00 0.77 0.00 0.00 66.41 66.31 2oyy h THR 63 Cb -0.05 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 2oyy h THR 63 CO -0.06 0.18 0.03 -0.29 0.37 0.00 0.00 175.52 175.74 2oyy h ILE 64 N -0.93 1.26 -0.81 3.11 2.10 -1.37 -1.05 117.51 119.82 2oyy h ILE 64 Ca -0.03 -1.03 0.14 0.00 1.08 0.00 0.00 64.86 65.02 2oyy h ILE 64 Cb 0.49 0.93 -0.09 0.00 -1.09 0.00 0.00 36.82 37.06 2oyy h ILE 64 CO 0.04 0.36 0.41 0.00 -1.08 0.00 0.00 178.15 177.88 2oyy h ALA 65 N 0.95 1.20 -0.39 0.18 0.00 -0.85 0.31 119.26 120.65 2oyy h ALA 65 Ca 0.15 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 2oyy h ALA 65 Cb 0.48 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2oyy h ALA 65 CO 0.02 -0.09 -0.10 0.00 0.00 0.00 0.00 179.25 179.08 2oyy h ALA 66 N 1.53 1.10 0.00 0.00 0.00 -1.32 0.21 119.26 120.78 2oyy h ALA 66 Ca 0.44 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2oyy h ALA 66 Cb 0.59 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2oyy h ALA 66 CO -0.35 0.56 -0.18 0.00 0.00 0.00 0.00 179.25 179.28 2oyy h ALA 67 N 1.27 1.05 -0.41 0.00 0.00 0.77 -2.56 119.26 119.39 2oyy h ALA 67 Ca 0.11 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2oyy h ALA 67 Cb 0.53 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2oyy h ALA 67 CO 0.03 0.23 0.00 0.09 0.00 0.00 0.00 179.25 179.60 2oyy n ASN 68 N -3.38 3.28 -3.58 0.00 4.13 0.66 -4.82 115.26 111.55 2oyy n ASN 68 Ca -0.00 -1.97 -0.26 0.00 1.68 0.00 0.00 54.58 54.03 2oyy n ASN 68 Cb 0.39 -0.26 0.03 0.00 -1.54 0.00 0.00 39.78 38.40 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 1.36 -5.18 -0.29 6.41 4.64 -0.96 -3.09 116.55 119.44 2oyy n ASP 69 Ca 0.19 -0.57 -0.04 0.00 -1.38 0.00 0.00 54.79 53.00 2oyy n ASP 69 Cb 0.57 -4.15 -0.02 0.00 -1.04 0.00 0.00 41.12 36.48 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 -4.58 0.00 -0.31 -0.67 4.01 0.72 -5.03 117.16 111.30 2oyy n TYR 70 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2oyy n TYR 70 Cb 0.55 -1.79 0.00 0.00 -0.31 0.00 0.00 39.34 37.79 2oyy n TYR 70 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31