#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 -3.62 1.09 4.27 -1.26 -4.90 117.44 113.02 2oyy n TRP 2 Ca 0.00 0.00 -0.27 0.00 -3.89 0.00 0.00 57.50 53.34 2oyy n TRP 2 Cb 0.00 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 29.85 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 -1.34 1.99 -0.06 5.67 7.94 -1.26 -4.96 117.00 124.98 2oyy n LEU 3 Ca 0.00 -4.99 -0.11 0.00 -1.11 0.00 0.00 56.01 49.79 2oyy n LEU 3 Cb 0.09 -0.27 -0.05 0.00 0.53 0.00 0.00 43.42 43.72 2oyy n LEU 3 CO 0.00 1.87 0.78 1.55 -1.11 0.00 0.00 177.39 180.48 2oyy h PRO 4 N 5.09 0.30 -4.55 1.96 0.13 -2.03 -3.47 132.00 129.43 2oyy h PRO 4 Ca 0.18 -0.08 -0.23 0.00 -0.87 0.00 0.00 66.00 65.00 2oyy h PRO 4 Cb 0.79 -0.03 -0.15 0.00 0.13 0.00 0.00 31.00 31.74 2oyy h PRO 4 CO 0.63 0.48 -0.61 0.95 -0.23 0.00 0.00 178.00 179.21 2oyy s THR 5 N -5.13 0.01 -0.43 1.56 -4.23 -1.26 -5.00 115.64 101.16 2oyy s THR 5 Ca -0.14 -1.98 0.15 0.00 -1.18 0.00 0.00 61.69 58.55 2oyy s THR 5 Cb 0.06 -2.45 -0.19 0.00 1.34 0.00 0.00 72.50 71.26 2oyy s THR 5 CO 0.72 -0.04 0.52 0.18 -0.54 0.00 0.00 174.62 175.45 2oyy n LEU 6 N -0.26 0.42 -4.59 4.79 4.77 -1.26 -4.94 117.00 115.93 2oyy n LEU 6 Ca 0.01 -0.30 -0.42 0.00 -0.03 0.00 0.00 56.01 55.28 2oyy n LEU 6 Cb 0.66 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.72 2oyy n LEU 6 CO 0.33 0.11 1.62 -0.69 -1.33 0.00 0.00 177.39 177.42 2oyy s VAL 7 N -2.68 3.36 0.13 4.08 1.01 -1.26 -4.78 120.40 120.26 2oyy s VAL 7 Ca 0.01 0.35 0.08 0.00 0.00 0.00 0.00 61.98 62.41 2oyy s VAL 7 Cb 0.11 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 2oyy s VAL 7 CO 0.63 -0.39 -0.11 -0.89 0.00 0.00 0.00 175.10 174.33 2oyy s THR 8 N 7.74 3.23 0.27 3.92 2.01 -1.26 -5.05 115.64 126.50 2oyy s THR 8 Ca 0.82 -1.41 0.05 0.00 0.31 0.00 0.00 61.69 61.47 2oyy s THR 8 Cb -0.22 -2.53 0.01 0.00 0.01 0.00 0.00 72.50 69.77 2oyy s THR 8 CO 0.32 0.05 1.65 0.00 -0.69 0.00 0.00 174.62 175.95 2oyy h ALA 9 N 3.45 1.01 -2.60 7.40 0.00 -1.96 -3.47 119.26 123.10 2oyy h ALA 9 Ca -0.49 -0.45 -0.12 0.00 0.00 0.00 0.00 54.91 53.85 2oyy h ALA 9 Cb 1.18 -0.09 -0.21 0.00 0.00 0.00 0.00 17.79 18.67 2oyy h ALA 9 CO 0.51 0.63 -0.31 0.95 0.00 0.00 0.00 179.25 181.04 2oyy s THR 10 N -4.05 0.05 0.32 0.00 -4.23 -1.26 -5.05 115.64 101.43 2oyy s THR 10 Ca -0.05 -0.45 0.05 0.00 -1.18 0.00 0.00 61.69 60.06 2oyy s THR 10 Cb 0.13 -0.57 0.41 0.00 1.34 0.00 0.00 72.50 73.81 2oyy s THR 10 CO 0.78 -0.25 1.57 -2.65 -0.54 0.00 0.00 174.62 173.53 2oyy n PRO 11 N 1.49 -0.08 -0.28 3.99 -0.02 -1.26 -1.11 135.00 137.73 2oyy n PRO 11 Ca -0.21 1.48 -0.06 0.00 -2.02 0.00 0.00 63.50 62.69 2oyy n PRO 11 Cb 0.56 -2.39 0.06 0.00 -0.02 0.00 0.00 33.50 31.71 2oyy n PRO 11 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2oyy h GLN 12 N 0.00 1.14 -0.66 -0.52 4.15 -2.00 -1.14 115.11 116.08 2oyy h GLN 12 Ca 0.64 -0.20 -0.04 0.00 0.77 0.00 0.00 58.65 59.82 2oyy h GLN 12 Cb 1.38 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 28.86 2oyy h GLN 12 CO -0.92 0.93 0.26 0.93 -1.93 0.00 0.00 178.83 178.10 2oyy h GLU 13 N 1.10 0.99 -0.60 1.69 5.08 -1.56 -2.68 114.58 118.61 2oyy h GLU 13 Ca 0.26 -0.18 0.12 0.00 -1.00 0.00 0.00 59.36 58.56 2oyy h GLU 13 Cb 0.21 -0.16 -0.10 0.00 0.50 0.00 0.00 28.75 29.20 2oyy h GLU 13 CO -0.02 0.83 0.03 0.78 -1.00 0.00 0.00 179.01 179.62 2oyy h GLY 14 N 0.93 0.66 1.03 -3.84 0.00 -0.06 0.18 103.07 101.98 2oyy h GLY 14 Ca 0.22 0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.54 2oyy h GLY 14 CO -0.02 -0.18 0.12 -2.75 0.00 0.00 0.00 176.54 173.71 2oyy h PHE 15 N 0.14 1.06 -0.49 5.60 3.57 -1.13 -0.42 116.94 125.28 2oyy h PHE 15 Ca 0.31 -0.14 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 2oyy h PHE 15 Cb 0.50 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 2oyy h PHE 15 CO -0.34 0.91 0.26 -0.44 -2.23 0.00 0.00 178.31 176.47 2oyy h ASP 16 N 0.91 0.62 -0.65 0.41 3.32 -0.94 0.16 116.42 120.25 2oyy h ASP 16 Ca 0.19 -0.11 0.03 0.00 0.02 0.00 0.00 57.03 57.16 2oyy h ASP 16 Cb 0.40 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.76 2oyy h ASP 16 CO 0.01 0.55 0.43 0.25 -1.72 0.00 0.00 179.24 178.76 2oyy h LEU 17 N 0.65 0.67 -0.89 1.55 5.85 -0.46 -0.08 115.31 122.61 2oyy h LEU 17 Ca 0.17 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.79 2oyy h LEU 17 Cb 0.08 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 2oyy h LEU 17 CO -0.03 0.47 -0.43 0.00 -0.34 0.00 0.00 178.44 178.11 2oyy h ALA 18 N 1.62 0.99 0.00 1.25 0.00 0.21 -1.73 119.26 121.60 2oyy h ALA 18 Ca 0.26 -0.39 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 2oyy h ALA 18 Cb 0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2oyy h ALA 18 CO -0.07 0.54 -0.85 0.28 0.00 0.00 0.00 179.25 179.15 2oyy h VAL 19 N 0.00 1.56 0.54 0.00 2.07 0.29 -2.87 116.25 117.86 2oyy h VAL 19 Ca -0.00 -2.77 -0.03 0.00 0.82 0.00 0.00 66.70 64.72 2oyy h VAL 19 Cb 0.94 2.52 0.01 0.00 -1.52 0.00 0.00 31.29 33.24 2oyy h VAL 19 CO 0.06 0.80 -0.26 0.50 0.02 0.00 0.00 177.57 178.68 2oyy h LYS 20 N 0.03 -0.70 -1.01 1.57 3.64 -0.70 -2.54 116.57 116.87 2oyy h LYS 20 Ca -0.02 0.05 0.23 0.00 -1.27 0.00 0.00 60.65 59.64 2oyy h LYS 20 Cb 1.48 0.16 -0.12 0.00 -0.41 0.00 0.00 32.23 33.35 2oyy h LYS 20 CO 0.12 -0.44 0.60 -0.07 -2.27 0.00 0.00 179.45 177.39 2oyy h LEU 21 N -1.16 0.69 0.05 5.20 3.38 -1.44 0.27 115.31 122.30 2oyy h LEU 21 Ca -0.07 0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.05 2oyy h LEU 21 Cb 0.59 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.31 2oyy h LEU 21 CO 0.12 0.14 -0.33 0.28 0.09 0.00 0.00 178.44 178.74 2oyy h SER 22 N 0.61 -0.98 -0.05 -0.43 0.02 -1.47 -3.17 113.55 108.08 2oyy h SER 22 Ca 0.63 0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.69 2oyy h SER 22 Cb 1.17 0.38 -0.00 0.00 0.14 0.00 0.00 62.40 64.09 2oyy h SER 22 CO -0.45 -0.41 -0.02 0.03 -1.14 0.00 0.00 176.83 174.85 2oyy h ARG 23 N -0.52 0.09 -0.16 3.45 3.08 -0.18 -3.27 114.38 116.88 2oyy h ARG 23 Ca 0.05 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.10 2oyy h ARG 23 Cb 0.58 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 2oyy h ARG 23 CO -0.24 0.45 0.13 -0.84 -1.07 0.00 0.00 179.97 178.40 2oyy h ILE 24 N -0.28 0.75 -0.54 2.04 -0.00 -0.71 1.90 117.51 120.68 2oyy h ILE 24 Ca 0.01 0.00 0.02 0.00 -0.00 0.00 0.00 64.86 64.89 2oyy h ILE 24 Cb 0.42 0.91 -0.03 0.00 -0.00 0.00 0.00 36.82 38.12 2oyy h ILE 24 CO 0.01 0.00 0.36 0.00 -0.00 0.00 0.00 178.15 178.52 2oyy h ALA 25 N 1.89 1.67 -0.04 0.16 0.00 -1.59 0.21 119.26 121.56 2oyy h ALA 25 Ca 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2oyy h ALA 25 Cb 0.33 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2oyy h ALA 25 CO -0.00 0.28 -0.04 0.28 0.00 0.00 0.00 179.25 179.77 2oyy h VAL 26 N 0.68 1.39 -0.16 0.00 2.07 0.28 -1.74 116.25 118.76 2oyy h VAL 26 Ca 0.21 -1.21 0.01 0.00 0.82 0.00 0.00 66.70 66.53 2oyy h VAL 26 Cb 0.01 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 2oyy h VAL 26 CO -0.05 0.33 0.11 0.50 0.02 0.00 0.00 177.57 178.47 2oyy h LYS 27 N -0.38 0.16 0.21 1.57 3.64 -0.79 0.31 116.57 121.29 2oyy h LYS 27 Ca 0.01 -0.01 -0.32 0.00 -1.27 0.00 0.00 60.65 59.06 2oyy h LYS 27 Cb 0.55 -0.04 0.02 0.00 -0.41 0.00 0.00 32.23 32.36 2oyy h LYS 27 CO 0.01 0.11 -1.44 0.87 -2.27 0.00 0.00 179.45 176.73 2oyy h LYS 28 N 0.16 0.44 0.00 1.90 1.57 -0.51 -2.68 116.57 117.46 2oyy h LYS 28 Ca 0.06 -0.75 -0.00 0.00 -1.87 0.00 0.00 60.65 58.09 2oyy h LYS 28 Cb 0.06 0.28 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 2oyy h LYS 28 CO -0.01 1.36 -0.13 1.79 -0.57 0.00 0.00 179.45 181.89 2oyy h THR 29 N 0.12 0.03 -2.45 -0.16 1.35 -0.95 -3.37 112.91 107.47 2oyy h THR 29 Ca -0.23 -1.04 -0.59 0.00 -0.55 0.00 0.00 66.41 64.01 2oyy h THR 29 Cb 2.10 1.96 -0.38 0.00 -1.73 0.00 0.00 68.15 70.10 2oyy h THR 29 CO 0.24 0.01 -0.93 -1.58 -0.25 0.00 0.00 175.52 173.02 2oyy s GLN 30 N -3.22 0.93 0.00 4.72 2.00 0.07 -4.98 119.66 119.17 2oyy s GLN 30 Ca 0.06 -2.03 0.23 0.00 -2.00 0.00 0.00 55.36 51.62 2oyy s GLN 30 Cb 0.06 -1.52 1.00 0.00 0.80 0.00 0.00 33.01 33.35 2oyy s GLN 30 CO 0.69 -1.35 1.74 -0.35 -0.50 0.00 0.00 175.29 175.52 2oyy n PRO 31 N 3.03 0.01 -2.18 1.67 -0.04 -1.01 -4.42 135.00 132.07 2oyy n PRO 31 Ca 0.26 0.10 -0.32 0.00 -0.04 0.00 0.00 63.50 63.49 2oyy n PRO 31 Cb 0.45 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.37 2oyy n PRO 31 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2oyy s ASP 32 N -2.98 5.51 0.64 3.54 3.68 -1.26 -4.83 116.67 120.96 2oyy s ASP 32 Ca 0.12 -0.66 0.32 0.00 2.13 0.00 0.00 52.55 54.46 2oyy s ASP 32 Cb 0.15 -2.56 1.74 0.00 -1.45 0.00 0.00 42.92 40.81 2oyy s ASP 32 CO 0.42 -2.38 2.03 0.00 0.13 0.00 0.00 175.17 175.38 2oyy h ALA 33 N 11.50 1.53 -0.16 3.66 0.00 -1.96 -1.60 119.26 132.23 2oyy h ALA 33 Ca 0.04 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2oyy h ALA 33 Cb 1.03 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2oyy h ALA 33 CO 1.26 -0.33 -0.22 0.37 0.00 0.00 0.00 179.25 180.33 2oyy h GLN 34 N 0.00 0.43 -0.07 0.00 4.15 -1.96 -2.74 115.11 114.92 2oyy h GLN 34 Ca 0.05 -0.25 -0.11 0.00 0.77 0.00 0.00 58.65 59.12 2oyy h GLN 34 Cb 0.60 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.29 2oyy h GLN 34 CO -0.00 0.83 -0.45 -0.39 -1.93 0.00 0.00 178.83 176.90 2oyy h VAL 35 N 0.07 1.33 0.00 2.39 -1.51 -1.71 -2.18 116.25 114.64 2oyy h VAL 35 Ca 0.02 -1.59 -0.02 0.00 -1.23 0.00 0.00 66.70 63.88 2oyy h VAL 35 Cb 0.78 1.77 -0.00 0.00 -2.13 0.00 0.00 31.29 31.71 2oyy h VAL 35 CO 0.05 0.47 -0.09 0.03 -1.23 0.00 0.00 177.57 176.80 2oyy h ARG 36 N 0.14 0.00 0.05 5.19 3.08 -1.51 0.21 114.38 121.54 2oyy h ARG 36 Ca 0.01 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.79 2oyy h ARG 36 Cb 0.85 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.91 2oyy h ARG 36 CO 0.07 0.09 -1.11 -0.44 -1.07 0.00 0.00 179.97 177.50 2oyy h ASP 37 N 0.00 0.78 0.23 7.04 3.32 -1.09 -0.19 116.42 126.51 2oyy h ASP 37 Ca -0.00 -0.67 -0.11 0.00 0.02 0.00 0.00 57.03 56.27 2oyy h ASP 37 Cb 0.29 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 2oyy h ASP 37 CO 0.01 1.48 -0.42 0.74 -1.72 0.00 0.00 179.24 179.33 2oyy h THR 38 N 0.29 1.31 0.19 0.35 2.02 -0.86 -3.01 112.91 113.19 2oyy h THR 38 Ca -0.14 -1.54 -0.33 0.00 0.77 0.00 0.00 66.41 65.18 2oyy h THR 38 Cb 1.77 1.69 0.01 0.00 -1.74 0.00 0.00 68.15 69.89 2oyy h THR 38 CO 0.21 0.46 -1.57 -0.07 0.37 0.00 0.00 175.52 174.92 2oyy h LEU 39 N 0.20 0.62 -0.31 2.58 3.38 -0.70 -3.30 115.31 117.79 2oyy h LEU 39 Ca 0.02 -0.79 0.07 0.00 0.09 0.00 0.00 57.88 57.27 2oyy h LEU 39 Cb 0.83 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.29 2oyy h LEU 39 CO 0.06 1.64 -0.30 -0.09 0.09 0.00 0.00 178.44 179.85 2oyy h ARG 40 N 0.11 -0.27 -0.14 1.13 9.65 -1.04 0.15 114.38 123.97 2oyy h ARG 40 Ca -0.27 0.02 0.04 0.00 -1.10 0.00 0.00 59.98 58.67 2oyy h ARG 40 Cb 2.09 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 30.73 2oyy h ARG 40 CO 0.21 -0.18 0.51 0.00 2.80 0.00 0.00 179.97 183.31 2oyy h ALA 41 N 0.72 1.69 0.00 2.80 0.00 -1.62 -0.67 119.26 122.18 2oyy h ALA 41 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2oyy h ALA 41 Cb 0.52 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2oyy h ALA 41 CO -0.46 -0.58 -0.02 0.28 0.00 0.00 0.00 179.25 178.46 2oyy h VAL 42 N 0.00 0.00 -0.39 0.00 2.07 -0.82 -3.41 116.25 113.70 2oyy h VAL 42 Ca 0.07 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.58 2oyy h VAL 42 Cb 1.09 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 2oyy h VAL 42 CO -0.00 0.00 0.27 0.10 0.02 0.00 0.00 177.57 177.96 2oyy h TYR 43 N -0.07 0.28 -0.18 1.57 -0.00 -0.88 -2.27 116.97 115.41 2oyy h TYR 43 Ca 0.00 0.01 0.05 0.00 -0.00 0.00 0.00 58.73 58.79 2oyy h TYR 43 Cb 0.02 -0.09 -0.01 0.00 -0.00 0.00 0.00 36.73 36.65 2oyy h TYR 43 CO -0.01 0.15 0.15 1.05 -0.00 0.00 0.00 178.16 179.50 2oyy h GLU 44 N 0.28 0.00 -0.42 0.10 4.11 -1.37 -0.67 114.58 116.61 2oyy h GLU 44 Ca 0.17 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.48 2oyy h GLU 44 Cb 0.34 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.51 2oyy h GLU 44 CO -0.04 0.00 0.06 0.36 0.07 0.00 0.00 179.01 179.46 2oyy n LYS 45 N -4.21 2.68 -4.08 1.06 2.85 -0.86 -4.93 118.16 110.67 2oyy n LYS 45 Ca 0.01 -3.01 -0.32 0.00 -1.05 0.00 0.00 58.31 53.94 2oyy n LYS 45 Cb 0.28 -1.92 -0.16 0.00 -0.65 0.00 0.00 35.03 32.58 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 3.14 0.04 -5.58 -1.08 -0.26 -5.03 116.67 105.98 2oyy s ASP 46 Ca 0.46 -0.69 -0.23 0.00 -0.52 0.00 0.00 52.55 51.57 2oyy s ASP 46 Cb 0.39 -1.38 -0.16 0.00 -1.46 0.00 0.00 42.92 40.31 2oyy s ASP 46 CO 0.07 -0.04 1.52 0.00 0.52 0.00 0.00 175.17 177.23 2oyy h ALA 47 N 7.96 0.06 -0.23 3.66 0.00 -1.92 -1.69 119.26 127.09 2oyy h ALA 47 Ca -0.40 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.44 2oyy h ALA 47 Cb 1.13 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 2oyy h ALA 47 CO 0.58 -0.32 -0.18 -0.91 0.00 0.00 0.00 179.25 178.42 2oyy h ASN 48 N -0.16 -0.59 -0.66 0.00 -0.26 -1.95 -0.94 115.58 111.02 2oyy h ASN 48 Ca 0.01 0.12 0.07 0.00 -0.56 0.00 0.00 56.30 55.94 2oyy h ASN 48 Cb 0.25 0.29 -0.06 0.00 -1.06 0.00 0.00 38.32 37.74 2oyy h ASN 48 CO 0.00 -0.22 0.34 0.00 -1.06 0.00 0.00 177.43 176.48 2oyy h ALA 49 N 0.94 0.89 -0.33 -0.83 0.00 -1.84 0.18 119.26 118.26 2oyy h ALA 49 Ca 0.13 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 2oyy h ALA 49 Cb 0.38 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2oyy h ALA 49 CO -0.34 -0.03 -0.30 -0.07 0.00 0.00 0.00 179.25 178.51 2oyy h LEU 50 N 0.60 0.72 0.26 0.00 3.38 -0.82 0.24 115.31 119.70 2oyy h LEU 50 Ca 0.31 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2oyy h LEU 50 Cb 0.27 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2oyy h LEU 50 CO -0.22 0.97 -0.13 0.40 0.09 0.00 0.00 178.44 179.55 2oyy h ILE 51 N 0.59 0.77 0.00 1.22 2.04 -0.60 -1.60 117.51 119.94 2oyy h ILE 51 Ca 0.07 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 2oyy h ILE 51 Cb 0.81 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.77 2oyy h ILE 51 CO 0.07 0.04 -0.01 0.00 0.00 0.00 0.00 178.15 178.25 2oyy h ALA 52 N 0.27 1.57 0.14 1.87 0.00 -0.35 -0.06 119.26 122.70 2oyy h ALA 52 Ca -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2oyy h ALA 52 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2oyy h ALA 52 CO 0.06 0.01 -0.07 0.28 0.00 0.00 0.00 179.25 179.54 2oyy h VAL 53 N 0.00 1.02 -0.08 0.00 2.07 -0.20 -2.97 116.25 116.09 2oyy h VAL 53 Ca -0.00 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 66.82 2oyy h VAL 53 Cb 0.03 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2oyy h VAL 53 CO 0.00 0.17 0.08 -1.28 0.02 0.00 0.00 177.57 176.56 2oyy h SER 54 N -0.53 0.00 -0.12 0.57 0.87 -0.07 0.86 113.55 115.13 2oyy h SER 54 Ca -0.02 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2oyy h SER 54 Cb 0.42 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 2oyy h SER 54 CO 0.03 0.00 0.06 0.00 -0.53 0.00 0.00 176.83 176.39 2oyy h ALA 55 N 1.92 0.16 -0.76 6.23 0.00 -1.15 -1.66 119.26 123.99 2oyy h ALA 55 Ca 0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2oyy h ALA 55 Cb 0.19 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2oyy h ALA 55 CO -0.00 -0.29 0.31 0.28 0.00 0.00 0.00 179.25 179.54 2oyy h VAL 56 N 0.09 1.26 -0.40 0.00 2.07 -0.67 -2.21 116.25 116.38 2oyy h VAL 56 Ca 0.04 -0.81 -0.15 0.00 0.82 0.00 0.00 66.70 66.61 2oyy h VAL 56 Cb 0.10 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 2oyy h VAL 56 CO -0.01 0.33 -0.33 1.62 0.02 0.00 0.00 177.57 179.20 2oyy h VAL 57 N 1.10 1.27 -0.39 2.57 3.04 -1.48 -2.01 116.25 120.35 2oyy h VAL 57 Ca 0.25 -1.50 0.07 0.00 -1.01 0.00 0.00 66.70 64.51 2oyy h VAL 57 Cb 0.21 1.32 -0.09 0.00 -2.01 0.00 0.00 31.29 30.72 2oyy h VAL 57 CO -0.02 0.51 -0.38 0.00 -1.01 0.00 0.00 177.57 176.67 2oyy h ALA 58 N 0.85 -0.31 -0.12 3.17 0.00 -0.75 0.71 119.26 122.79 2oyy h ALA 58 Ca 0.07 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.09 2oyy h ALA 58 Cb 0.91 0.79 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 2oyy h ALA 58 CO 0.08 -0.80 -0.01 1.15 0.00 0.00 0.00 179.25 179.67 2oyy h THR 59 N -0.30 0.90 -0.35 0.00 2.02 -1.28 -1.33 112.91 112.56 2oyy h THR 59 Ca 0.15 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.32 2oyy h THR 59 Cb 0.57 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 2oyy h THR 59 CO -0.55 0.00 0.20 0.45 0.37 0.00 0.00 175.52 176.00 2oyy h HIS 60 N 0.03 0.47 -0.25 3.16 3.86 -0.76 -2.08 115.15 119.58 2oyy h HIS 60 Ca 0.06 -0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.29 2oyy h HIS 60 Cb 0.08 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 2oyy h HIS 60 CO -0.15 0.36 0.17 0.35 0.86 0.00 0.00 177.93 179.52 2oyy h PHE 61 N 0.45 0.21 -0.57 2.45 3.57 0.70 0.24 116.94 123.98 2oyy h PHE 61 Ca 0.12 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 2oyy h PHE 61 Cb 0.03 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 2oyy h PHE 61 CO -0.03 0.12 0.23 0.37 -2.23 0.00 0.00 178.31 176.77 2oyy h GLN 62 N 0.22 0.86 0.44 1.11 4.15 -0.55 0.28 115.11 121.61 2oyy h GLN 62 Ca 0.11 -0.16 -0.02 0.00 0.77 0.00 0.00 58.65 59.35 2oyy h GLN 62 Cb 0.15 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.71 2oyy h GLN 62 CO -0.02 0.74 -0.21 1.15 -1.93 0.00 0.00 178.83 178.56 2oyy h THR 63 N 0.79 0.50 -0.37 2.39 2.02 -0.67 -2.74 112.91 114.83 2oyy h THR 63 Ca 0.19 -0.43 0.03 0.00 0.77 0.00 0.00 66.41 66.97 2oyy h THR 63 Cb 0.20 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 2oyy h THR 63 CO -0.02 0.07 0.25 -0.29 0.37 0.00 0.00 175.52 175.90 2oyy h ILE 64 N -0.86 1.03 -0.60 3.11 2.10 -1.24 -1.33 117.51 119.72 2oyy h ILE 64 Ca -0.06 -0.14 -0.04 0.00 1.08 0.00 0.00 64.86 65.70 2oyy h ILE 64 Cb 0.56 0.59 -0.03 0.00 -1.09 0.00 0.00 36.82 36.86 2oyy h ILE 64 CO 0.10 0.07 0.23 0.00 -1.08 0.00 0.00 178.15 177.47 2oyy h ALA 65 N 1.78 0.78 -0.36 0.18 0.00 -0.90 -1.94 119.26 118.80 2oyy h ALA 65 Ca 0.15 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 2oyy h ALA 65 Cb 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2oyy h ALA 65 CO -0.03 0.41 -0.29 0.00 0.00 0.00 0.00 179.25 179.34 2oyy h ALA 66 N 1.08 0.81 -0.94 0.00 0.00 -1.10 0.20 119.26 119.30 2oyy h ALA 66 Ca 0.20 -0.40 0.15 0.00 0.00 0.00 0.00 54.91 54.86 2oyy h ALA 66 Cb 0.23 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 17.78 2oyy h ALA 66 CO -0.01 0.64 0.55 0.00 0.00 0.00 0.00 179.25 180.43 2oyy h ALA 67 N 1.02 1.46 -0.56 0.00 0.00 -0.79 -1.41 119.26 118.98 2oyy h ALA 67 Ca 0.08 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2oyy h ALA 67 Cb 0.82 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2oyy h ALA 67 CO 0.07 0.03 0.00 0.09 0.00 0.00 0.00 179.25 179.44 2oyy n ASN 68 N -4.75 5.21 -1.78 0.00 4.13 -0.77 -4.90 115.26 112.40 2oyy n ASN 68 Ca 0.19 -2.75 -0.13 0.00 1.68 0.00 0.00 54.58 53.58 2oyy n ASN 68 Cb 0.44 -0.65 -0.04 0.00 -1.54 0.00 0.00 39.78 38.00 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 0.72 -3.63 0.00 6.41 4.64 -0.53 -0.58 116.55 123.59 2oyy n ASP 69 Ca 0.26 0.27 0.00 0.00 -1.38 0.00 0.00 54.79 53.93 2oyy n ASP 69 Cb 1.06 -3.27 0.00 0.00 -1.04 0.00 0.00 41.12 37.87 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 -2.45 0.00 -0.64 -0.67 4.01 0.65 -4.99 117.16 113.07 2oyy n TYR 70 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 2oyy n TYR 70 Cb 0.50 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 39.42 2oyy n TYR 70 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31