#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l8c s ASP 2 N 0.00 1.32 0.29 0.00 2.15 -1.26 -5.06 116.67 114.11 1l8c s ASP 2 Ca 0.00 -0.03 0.02 0.00 0.43 0.00 0.00 52.55 52.97 1l8c s ASP 2 Cb 0.00 -0.05 0.70 0.00 -0.30 0.00 0.00 42.92 43.28 1l8c s ASP 2 CO 0.00 -0.27 1.66 -0.65 -0.17 0.00 0.00 175.17 175.73 1l8c h PRO 3 N 8.41 0.23 -0.63 4.34 0.11 -2.06 -1.41 132.00 140.99 1l8c h PRO 3 Ca -0.13 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.98 1l8c h PRO 3 Cb 1.13 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 1l8c h PRO 3 CO 0.18 0.15 0.40 0.93 -0.21 0.00 0.00 178.00 179.46 1l8c h GLU 4 N 0.24 0.78 -0.68 1.05 5.08 -2.00 -2.11 114.58 116.93 1l8c h GLU 4 Ca 0.55 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.86 1l8c h GLU 4 Cb 1.09 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 1l8c h GLU 4 CO -0.63 0.52 0.43 0.87 -1.00 0.00 0.00 179.01 179.20 1l8c h LYS 5 N 0.81 0.92 -0.49 2.33 1.57 -1.70 -2.24 116.57 117.76 1l8c h LYS 5 Ca 0.24 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1l8c h LYS 5 Cb -0.04 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.05 1l8c h LYS 5 CO -0.08 0.63 0.29 0.00 -0.57 0.00 0.00 179.45 179.73 1l8c h ARG 6 N 0.94 0.67 -0.56 3.15 3.08 -1.02 0.50 114.38 121.15 1l8c h ARG 6 Ca 0.25 -0.07 0.08 0.00 0.07 0.00 0.00 59.98 60.31 1l8c h ARG 6 Cb -0.06 -0.14 -0.07 0.00 0.08 0.00 0.00 29.97 29.78 1l8c h ARG 6 CO -0.05 0.50 0.20 0.87 -1.07 0.00 0.00 179.97 180.42 1l8c h LYS 7 N 0.66 0.37 -0.01 0.04 1.57 -0.93 0.03 116.57 118.30 1l8c h LYS 7 Ca 0.18 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1l8c h LYS 7 Cb 0.01 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 1l8c h LYS 7 CO -0.03 0.24 0.00 -0.07 -0.57 0.00 0.00 179.45 179.02 1l8c h LEU 8 N 0.38 0.02 -0.42 2.94 3.38 -1.13 -2.57 115.31 117.91 1l8c h LEU 8 Ca 0.27 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 58.10 1l8c h LEU 8 Cb 0.32 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 1l8c h LEU 8 CO -0.28 0.23 0.04 0.40 0.09 0.00 0.00 178.44 178.91 1l8c h ILE 9 N -0.19 0.73 -0.26 1.22 2.04 -0.56 -1.35 117.51 119.14 1l8c h ILE 9 Ca 0.00 -0.05 0.06 0.00 1.00 0.00 0.00 64.86 65.87 1l8c h ILE 9 Cb 0.22 0.56 -0.07 0.00 -0.74 0.00 0.00 36.82 36.78 1l8c h ILE 9 CO -0.00 0.03 -0.23 1.56 0.00 0.00 0.00 178.15 179.51 1l8c h GLN 10 N 0.15 -0.22 0.11 2.37 4.20 -0.95 -0.24 115.11 120.53 1l8c h GLN 10 Ca 0.20 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.95 1l8c h GLN 10 Cb 0.28 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.06 1l8c h GLN 10 CO -0.31 -0.15 -0.35 0.37 -0.67 0.00 0.00 178.83 177.73 1l8c h GLN 11 N -0.23 -0.55 -0.99 1.46 4.15 -1.02 -2.51 115.11 115.42 1l8c h GLN 11 Ca 0.14 0.04 0.06 0.00 0.77 0.00 0.00 58.65 59.66 1l8c h GLN 11 Cb 0.44 0.12 -0.07 0.00 0.21 0.00 0.00 27.48 28.19 1l8c h GLN 11 CO -0.39 -0.37 0.64 1.96 -1.93 0.00 0.00 178.83 178.75 1l8c h GLN 12 N -0.57 1.13 0.32 1.69 1.08 -0.87 0.08 115.11 117.97 1l8c h GLN 12 Ca 0.03 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1l8c h GLN 12 Cb 0.61 -0.26 -0.02 0.00 -0.05 0.00 0.00 27.48 27.76 1l8c h GLN 12 CO -0.21 0.75 -0.34 1.25 -0.95 0.00 0.00 178.83 179.33 1l8c h LEU 13 N 1.17 -0.93 -0.01 1.46 6.46 -0.84 -0.34 115.31 122.28 1l8c h LEU 13 Ca 0.43 0.08 0.01 0.00 -0.12 0.00 0.00 57.88 58.28 1l8c h LEU 13 Cb 0.16 0.32 -0.01 0.00 -0.73 0.00 0.00 40.66 40.39 1l8c h LEU 13 CO -0.17 -0.47 -0.06 0.58 -0.62 0.00 0.00 178.44 177.70 1l8c h VAL 14 N -0.69 0.85 -0.53 1.05 2.07 -1.12 -2.33 116.25 115.55 1l8c h VAL 14 Ca -0.02 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.54 1l8c h VAL 14 Cb 0.64 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1l8c h VAL 14 CO -0.08 0.00 0.29 -0.07 0.02 0.00 0.00 177.57 177.74 1l8c h LEU 15 N -0.09 0.44 -0.42 2.57 3.38 -0.89 -1.24 115.31 119.06 1l8c h LEU 15 Ca 0.03 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1l8c h LEU 15 Cb 0.13 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1l8c h LEU 15 CO -0.07 0.31 0.27 0.25 0.09 0.00 0.00 178.44 179.29 1l8c h LEU 16 N 0.57 0.49 0.02 1.67 5.85 -0.94 0.11 115.31 123.08 1l8c h LEU 16 Ca 0.22 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 1l8c h LEU 16 Cb 0.09 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1l8c h LEU 16 CO -0.13 0.37 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.26 1l8c h LEU 17 N 0.57 -0.02 -0.06 2.25 3.38 -1.25 -3.01 115.31 117.17 1l8c h LEU 17 Ca 0.15 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.15 1l8c h LEU 17 Cb -0.05 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1l8c h LEU 17 CO -0.03 -0.01 -0.12 -0.74 0.09 0.00 0.00 178.44 177.62 1l8c h HIS 18 N -0.02 -0.31 -0.84 1.13 2.76 -1.02 -3.10 115.15 113.75 1l8c h HIS 18 Ca -0.00 0.01 0.16 0.00 -2.20 0.00 0.00 60.37 58.34 1l8c h HIS 18 Cb 0.02 0.15 -0.16 0.00 1.55 0.00 0.00 27.41 28.97 1l8c h HIS 18 CO -0.08 -0.19 -0.25 0.00 -1.30 0.00 0.00 177.93 176.12 1l8c h ALA 19 N 0.83 0.45 -0.29 5.26 0.00 -0.65 0.26 119.26 125.13 1l8c h ALA 19 Ca 0.06 0.31 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 1l8c h ALA 19 Cb 0.27 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1l8c h ALA 19 CO -0.16 -0.45 0.02 1.25 0.00 0.00 0.00 179.25 179.90 1l8c h HIS 20 N -0.02 0.54 -0.79 0.00 6.17 -1.51 -2.72 115.15 116.82 1l8c h HIS 20 Ca 0.38 -0.09 0.08 0.00 0.71 0.00 0.00 60.37 61.45 1l8c h HIS 20 Cb 0.61 -0.14 -0.07 0.00 2.52 0.00 0.00 27.41 30.33 1l8c h HIS 20 CO -0.69 0.62 0.45 0.87 0.71 0.00 0.00 177.93 179.90 1l8c h LYS 21 N 0.30 0.77 -0.43 5.26 6.56 -1.13 -2.77 116.57 125.13 1l8c h LYS 21 Ca 0.08 -0.05 0.08 0.00 -1.06 0.00 0.00 60.65 59.71 1l8c h LYS 21 Cb 0.40 -0.17 -0.07 0.00 -0.57 0.00 0.00 32.23 31.82 1l8c h LYS 21 CO 0.01 0.51 0.00 0.00 -2.06 0.00 0.00 179.45 177.91 1l8c h GLN 23 N 0.11 -0.24 0.15 0.00 4.20 -1.19 0.12 115.11 118.26 1l8c h GLN 23 Ca 0.21 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.93 1l8c h GLN 23 Cb 0.31 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1l8c h GLN 23 CO -0.35 -0.16 -0.07 -0.09 -0.67 0.00 0.00 178.83 177.49 1l8c h ARG 24 N -0.25 -0.19 -0.48 1.46 9.65 -1.40 -2.37 114.38 120.79 1l8c h ARG 24 Ca 0.14 0.01 0.08 0.00 -1.10 0.00 0.00 59.98 59.11 1l8c h ARG 24 Cb 0.46 0.04 -0.07 0.00 -1.39 0.00 0.00 29.97 29.01 1l8c h ARG 24 CO -0.38 -0.07 0.09 -0.09 2.80 0.00 0.00 179.97 182.32 1l8c h ARG 25 N -0.27 0.21 0.29 0.20 1.12 -0.62 0.04 114.38 115.36 1l8c h ARG 25 Ca -0.02 -0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 58.84 1l8c h ARG 25 Cb 0.21 -0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 30.10 1l8c h ARG 25 CO 0.03 0.14 -0.27 1.49 -3.11 0.00 0.00 179.97 178.25 1l8c h GLU 26 N 0.22 -0.57 -0.32 0.20 4.22 -0.74 -0.55 114.58 117.05 1l8c h GLU 26 Ca 0.24 0.04 0.01 0.00 0.08 0.00 0.00 59.36 59.73 1l8c h GLU 26 Cb 0.32 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1l8c h GLU 26 CO -0.32 -0.38 0.19 1.96 -2.18 0.00 0.00 179.01 178.29 1l8c h GLN 27 N -0.59 0.39 0.12 1.92 1.08 -1.17 -0.55 115.11 116.32 1l8c h GLN 27 Ca -0.01 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1l8c h GLN 27 Cb 0.53 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 1l8c h GLN 27 CO -0.05 0.25 -0.06 0.00 -0.95 0.00 0.00 178.83 178.03 1l8c h ALA 28 N 1.13 -0.16 -0.15 3.87 0.00 -0.92 -3.22 119.26 119.80 1l8c h ALA 28 Ca 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1l8c h ALA 28 Cb -0.02 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1l8c h ALA 28 CO -0.04 -0.59 0.05 -0.97 0.00 0.00 0.00 179.25 177.69 1l8c h ASN 29 N -0.17 0.22 -2.02 0.00 -1.24 -1.05 -3.49 115.58 107.82 1l8c h ASN 29 Ca -0.02 -0.20 0.00 0.00 0.71 0.00 0.00 56.30 56.80 1l8c h ASN 29 Cb 0.13 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.12 1l8c h ASN 29 CO 0.03 0.36 0.00 0.61 -1.29 0.00 0.00 177.43 177.13 1l8c n GLY 30 N -0.60 0.21 3.09 1.57 0.00 -0.22 -5.10 105.19 104.14 1l8c n GLY 30 Ca -0.05 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.47 1l8c n GLY 30 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1l8c s GLU 31 N -2.67 0.40 0.15 1.61 2.56 -1.24 -5.07 118.70 114.43 1l8c s GLU 31 Ca 0.00 -0.21 -0.17 0.00 0.00 0.00 0.00 54.97 54.59 1l8c s GLU 31 Cb 0.00 0.17 0.03 0.00 2.00 0.00 0.00 34.13 36.33 1l8c s GLU 31 CO 0.00 -0.09 1.78 0.28 -0.56 0.00 0.00 175.26 176.67 1l8c h VAL 32 N 4.45 1.01 -2.51 3.70 2.07 -2.01 -3.36 116.25 119.61 1l8c h VAL 32 Ca -0.29 -0.13 -0.60 0.00 0.82 0.00 0.00 66.70 66.50 1l8c h VAL 32 Cb 1.19 0.58 -0.39 0.00 -1.52 0.00 0.00 31.29 31.16 1l8c h VAL 32 CO 0.40 0.07 -0.89 -2.11 0.02 0.00 0.00 177.57 175.06 1l8c n ARG 33 N -4.91 0.56 -0.21 1.57 1.85 -1.26 -5.00 116.66 109.26 1l8c n ARG 33 Ca 0.00 -3.46 -0.08 0.00 -1.00 0.00 0.00 57.85 53.31 1l8c n ARG 33 Cb 0.07 -1.80 0.02 0.00 -1.05 0.00 0.00 32.46 29.71 1l8c n ARG 33 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1l8c h ALA 34 N 5.54 0.76 -3.61 2.89 0.00 -1.93 -3.45 119.26 119.46 1l8c h ALA 34 Ca 0.24 -0.22 -0.41 0.00 0.00 0.00 0.00 54.91 54.52 1l8c h ALA 34 Cb 0.87 -0.22 0.19 0.00 0.00 0.00 0.00 17.79 18.63 1l8c h ALA 34 CO 0.45 0.46 0.25 0.00 0.00 0.00 0.00 179.25 180.41 1l8c n SER 36 N -4.39 1.59 -4.69 0.00 7.64 -1.26 -5.07 113.62 107.43 1l8c n SER 36 Ca 0.16 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.62 1l8c n SER 36 Cb 0.58 0.11 -0.03 0.00 -1.01 0.00 0.00 64.21 63.86 1l8c n SER 36 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1l8c s LEU 37 N -2.60 4.35 0.21 -3.43 1.02 -1.26 -4.93 118.68 112.03 1l8c s LEU 37 Ca 0.00 2.34 -0.05 0.00 0.02 0.00 0.00 54.13 56.44 1l8c s LEU 37 Cb 0.00 -3.56 0.17 0.00 0.02 0.00 0.00 46.19 42.82 1l8c s LEU 37 CO 0.00 -0.81 1.63 1.55 0.02 0.00 0.00 176.35 178.75 1l8c h PRO 38 N 7.97 0.82 -0.38 1.29 0.13 -2.04 -3.08 132.00 136.72 1l8c h PRO 38 Ca -0.41 -0.32 0.07 0.00 -0.87 0.00 0.00 66.00 64.48 1l8c h PRO 38 Cb 1.19 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 1l8c h PRO 38 CO 0.91 0.94 0.26 0.45 -0.23 0.00 0.00 178.00 180.34 1l8c h HIS 39 N 0.72 0.19 -0.83 1.56 3.86 -2.02 -2.88 115.15 115.75 1l8c h HIS 39 Ca 0.11 0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.46 1l8c h HIS 39 Cb 0.71 -0.06 -0.09 0.00 1.06 0.00 0.00 27.41 29.02 1l8c h HIS 39 CO 0.04 0.10 0.43 0.00 0.86 0.00 0.00 177.93 179.35 1l8c h ARG 41 N 0.63 0.03 0.42 0.00 2.43 -1.69 -0.10 114.38 116.10 1l8c h ARG 41 Ca 0.44 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.60 1l8c h ARG 41 Cb 0.59 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1l8c h ARG 41 CO -0.34 0.02 -0.32 1.15 -1.51 0.00 0.00 179.97 178.96 1l8c h THR 42 N 0.03 0.33 -0.83 0.20 2.02 -1.52 -1.45 112.91 111.70 1l8c h THR 42 Ca 0.20 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.45 1l8c h THR 42 Cb 0.30 0.33 -0.06 0.00 -1.74 0.00 0.00 68.15 66.98 1l8c h THR 42 CO -0.39 0.00 0.50 0.24 0.37 0.00 0.00 175.52 176.24 1l8c h MET 43 N -0.74 0.87 -0.45 6.66 2.86 -1.11 -0.22 114.93 122.80 1l8c h MET 43 Ca -0.04 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 1l8c h MET 43 Cb 0.63 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 1l8c h MET 43 CO -0.00 0.57 0.20 0.87 1.06 0.00 0.00 176.91 179.61 1l8c h LYS 44 N 0.90 0.66 -0.26 1.72 1.57 -0.89 0.72 116.57 121.00 1l8c h LYS 44 Ca 0.38 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1l8c h LYS 44 Cb 0.23 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1l8c h LYS 44 CO -0.20 0.59 0.17 -0.91 -0.57 0.00 0.00 179.45 178.53 1l8c h ASN 45 N 0.59 0.30 0.30 0.86 2.35 -0.83 -1.29 115.58 117.86 1l8c h ASN 45 Ca 0.15 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1l8c h ASN 45 Cb 0.16 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.43 1l8c h ASN 45 CO -0.02 0.23 -0.42 0.58 -1.65 0.00 0.00 177.43 176.15 1l8c h VAL 46 N 0.34 0.16 -0.46 2.81 2.07 -0.89 -2.28 116.25 117.99 1l8c h VAL 46 Ca 0.09 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.70 1l8c h VAL 46 Cb -0.03 0.16 -0.10 0.00 -1.52 0.00 0.00 31.29 29.80 1l8c h VAL 46 CO -0.02 0.00 -0.32 0.25 0.02 0.00 0.00 177.57 177.50 1l8c h LEU 47 N -0.77 -1.07 -0.85 2.57 7.12 -0.76 0.16 115.31 121.70 1l8c h LEU 47 Ca -0.02 0.20 0.11 0.00 0.13 0.00 0.00 57.88 58.30 1l8c h LEU 47 Cb 0.72 0.52 -0.08 0.00 -0.53 0.00 0.00 40.66 41.29 1l8c h LEU 47 CO -0.13 -0.31 0.49 -1.13 -0.13 0.00 0.00 178.44 177.22 1l8c h ASN 48 N -0.21 0.68 -0.05 1.25 -1.24 -1.11 -2.47 115.58 112.44 1l8c h ASN 48 Ca 0.20 0.06 -0.03 0.00 0.71 0.00 0.00 56.30 57.23 1l8c h ASN 48 Cb 0.53 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.51 1l8c h ASN 48 CO -0.58 0.37 -0.09 -0.74 -1.29 0.00 0.00 177.43 175.10 1l8c h HIS 49 N 0.79 0.18 -0.92 0.67 2.76 -0.78 -3.36 115.15 114.49 1l8c h HIS 49 Ca 0.42 -0.07 0.26 0.00 -2.20 0.00 0.00 60.37 58.79 1l8c h HIS 49 Cb 0.43 -0.03 -0.16 0.00 1.55 0.00 0.00 27.41 29.20 1l8c h HIS 49 CO -0.06 0.68 0.22 1.98 -1.30 0.00 0.00 177.93 179.45 1l8c h MET 50 N -0.37 0.13 0.02 5.26 4.05 -0.25 0.48 114.93 124.25 1l8c h MET 50 Ca 0.00 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1l8c h MET 50 Cb 0.67 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.44 1l8c h MET 50 CO 0.02 0.09 -0.01 1.79 0.23 0.00 0.00 176.91 179.02 1l8c h THR 51 N 0.13 1.09 -0.14 -0.77 1.35 -1.64 -3.22 112.91 109.71 1l8c h THR 51 Ca 0.60 -0.36 -0.13 0.00 -0.55 0.00 0.00 66.41 65.97 1l8c h THR 51 Cb 1.27 1.34 -0.01 0.00 -1.73 0.00 0.00 68.15 69.02 1l8c h THR 51 CO -0.74 0.09 -0.46 0.45 -0.25 0.00 0.00 175.52 174.61 1l8c h HIS 52 N -0.19 0.42 -3.69 4.73 3.86 -1.46 -3.46 115.15 115.37 1l8c h HIS 52 Ca -0.00 -0.13 -0.55 0.00 -1.16 0.00 0.00 60.37 58.53 1l8c h HIS 52 Cb 0.18 -0.09 0.11 0.00 1.06 0.00 0.00 27.41 28.67 1l8c h HIS 52 CO -0.02 0.75 0.65 0.00 0.86 0.00 0.00 177.93 180.17 1l8c n GLN 54 N 0.39 2.85 0.09 0.00 6.02 -1.26 -4.83 117.38 120.64 1l8c n GLN 54 Ca 0.03 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 1l8c n GLN 54 Cb 0.38 -0.24 0.32 0.00 1.02 0.00 0.00 30.24 31.72 1l8c n GLN 54 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1l8c h ALA 55 N 0.00 1.35 -0.58 -1.58 0.00 -1.96 -3.48 119.26 113.01 1l8c h ALA 55 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1l8c h ALA 55 Cb 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1l8c h ALA 55 CO 0.00 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.10 1l8c n GLY 56 N -0.64 1.64 0.30 0.00 0.00 -1.26 -2.69 105.19 102.54 1l8c n GLY 56 Ca -0.01 0.10 -0.06 0.00 0.00 0.00 0.00 46.02 46.05 1l8c n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1l8c h LYS 57 N 0.00 0.95 0.00 1.61 1.79 -1.92 -3.18 116.57 115.82 1l8c h LYS 57 Ca 0.00 -0.26 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 1l8c h LYS 57 Cb 0.00 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.54 1l8c h LYS 57 CO 0.00 0.91 0.00 0.00 -1.08 0.00 0.00 179.45 179.28 1l8c n ALA 58 N -2.47 1.67 -1.73 3.86 0.00 -1.09 -4.85 120.51 115.90 1l8c n ALA 58 Ca 0.03 0.08 -0.42 0.00 0.00 0.00 0.00 53.44 53.13 1l8c n ALA 58 Cb 0.30 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 1l8c n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l8c h GLN 60 N 8.65 0.11 -6.28 0.00 4.20 -1.93 -3.43 115.11 116.44 1l8c h GLN 60 Ca -0.46 -0.03 -0.57 0.00 0.06 0.00 0.00 58.65 57.66 1l8c h GLN 60 Cb 1.22 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.96 1l8c h GLN 60 CO 0.95 0.30 1.17 0.08 -0.67 0.00 0.00 178.83 180.66 1l8c s VAL 61 N -4.62 3.61 0.15 -0.54 1.01 -1.26 -4.93 120.40 113.82 1l8c s VAL 61 Ca -0.04 0.67 -0.27 0.00 0.00 0.00 0.00 61.98 62.34 1l8c s VAL 61 Cb 0.15 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 1l8c s VAL 61 CO 0.72 -0.31 1.58 0.00 0.00 0.00 0.00 175.10 177.09 1l8c h ALA 62 N 11.29 -0.43 -0.41 5.51 0.00 -2.00 -2.22 119.26 130.99 1l8c h ALA 62 Ca -0.34 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.65 1l8c h ALA 62 Cb 1.16 0.85 -0.03 0.00 0.00 0.00 0.00 17.79 19.76 1l8c h ALA 62 CO 1.01 -0.86 0.20 0.45 0.00 0.00 0.00 179.25 180.05 1l8c h HIS 63 N -0.35 0.38 0.61 0.00 3.86 -1.96 -1.88 115.15 115.79 1l8c h HIS 63 Ca 0.13 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.33 1l8c h HIS 63 Cb 0.59 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 1l8c h HIS 63 CO -0.58 0.19 -0.41 0.00 0.86 0.00 0.00 177.93 177.99 1l8c h ALA 65 N -0.70 0.58 0.29 0.00 0.00 -1.39 -3.11 119.26 114.92 1l8c h ALA 65 Ca -0.07 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1l8c h ALA 65 Cb 0.80 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1l8c h ALA 65 CO 0.05 -0.36 -0.14 0.77 0.00 0.00 0.00 179.25 179.57 1l8c h SER 66 N 0.16 -0.32 -0.89 0.00 0.02 -1.20 -3.34 113.55 107.98 1l8c h SER 66 Ca 0.29 -0.16 0.24 0.00 -0.84 0.00 0.00 61.79 61.32 1l8c h SER 66 Cb 0.44 0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.02 1l8c h SER 66 CO -0.43 -0.00 0.62 0.77 -1.14 0.00 0.00 176.83 176.65 1l8c h SER 67 N -0.67 0.10 -0.71 3.07 4.64 -0.80 -1.13 113.55 118.06 1l8c h SER 67 Ca -0.04 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1l8c h SER 67 Cb 0.47 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.52 1l8c h SER 67 CO 0.06 0.04 0.45 0.03 -0.87 0.00 0.00 176.83 176.54 1l8c h ARG 68 N 0.10 0.95 0.18 4.77 3.08 -1.67 -3.16 114.38 118.63 1l8c h ARG 68 Ca 0.43 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.40 1l8c h ARG 68 Cb 1.56 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.41 1l8c h ARG 68 CO -0.05 0.65 -0.09 1.96 -1.07 0.00 0.00 179.97 181.37 1l8c h GLN 69 N 0.96 -0.23 -0.79 0.04 7.50 -1.40 -1.87 115.11 119.32 1l8c h GLN 69 Ca 0.26 0.02 0.13 0.00 0.50 0.00 0.00 58.65 59.56 1l8c h GLN 69 Cb -0.07 0.05 -0.09 0.00 0.05 0.00 0.00 27.48 27.42 1l8c h GLN 69 CO -0.05 -0.08 0.38 -0.84 -1.50 0.00 0.00 178.83 176.74 1l8c h ILE 70 N -0.34 0.73 -0.16 2.54 3.07 -1.57 0.11 117.51 121.89 1l8c h ILE 70 Ca -0.02 -0.19 -0.16 0.00 1.55 0.00 0.00 64.86 66.03 1l8c h ILE 70 Cb 0.26 0.12 0.01 0.00 -0.27 0.00 0.00 36.82 36.93 1l8c h ILE 70 CO 0.04 0.10 -0.53 0.40 -1.05 0.00 0.00 178.15 177.11 1l8c h ILE 71 N 0.56 1.32 -0.51 0.16 1.08 -1.57 -2.72 117.51 115.83 1l8c h ILE 71 Ca 0.43 -1.78 0.09 0.00 -0.39 0.00 0.00 64.86 63.21 1l8c h ILE 71 Cb 0.59 1.98 -0.08 0.00 -3.07 0.00 0.00 36.82 36.25 1l8c h ILE 71 CO -0.36 0.55 0.07 0.28 -0.69 0.00 0.00 178.15 178.00 1l8c h SER 72 N 0.33 -0.07 0.56 1.72 0.02 -0.52 -1.41 113.55 114.16 1l8c h SER 72 Ca -0.02 0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 1l8c h SER 72 Cb 1.16 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.85 1l8c h SER 72 CO 0.11 -0.01 -0.37 -0.74 -1.14 0.00 0.00 176.83 174.68 1l8c h HIS 73 N 0.19 -1.01 -0.97 3.45 -0.00 -0.82 -1.34 115.15 114.65 1l8c h HIS 73 Ca 0.26 -0.01 0.17 0.00 -0.00 0.00 0.00 60.37 60.80 1l8c h HIS 73 Cb 0.37 0.37 -0.10 0.00 -0.00 0.00 0.00 27.41 28.05 1l8c h HIS 73 CO -0.26 -0.55 0.57 2.35 -0.00 0.00 0.00 177.93 180.05 1l8c h TRP 74 N -0.88 1.01 0.40 5.26 7.01 -1.27 0.13 115.95 127.60 1l8c h TRP 74 Ca -0.07 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.94 1l8c h TRP 74 Cb 0.72 -0.30 0.00 0.00 -2.10 0.00 0.00 29.16 27.48 1l8c h TRP 74 CO -0.09 0.25 -0.19 -0.22 -2.79 0.00 0.00 178.44 175.41 1l8c h LYS 75 N 0.76 -0.51 -0.29 2.65 1.63 -1.20 -3.33 116.57 116.28 1l8c h LYS 75 Ca 0.54 0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 60.32 1l8c h LYS 75 Cb 0.78 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.52 1l8c h LYS 75 CO -0.36 -0.24 -0.02 -0.91 -3.45 0.00 0.00 179.45 174.46 1l8c h ASN 76 N -0.72 0.52 -3.07 4.20 4.21 -0.76 -3.46 115.58 116.52 1l8c h ASN 76 Ca -0.05 -0.33 -0.53 0.00 1.21 0.00 0.00 56.30 56.60 1l8c h ASN 76 Cb 0.50 -0.14 0.07 0.00 -1.12 0.00 0.00 38.32 37.64 1l8c h ASN 76 CO 0.09 0.72 0.94 0.00 -1.29 0.00 0.00 177.43 177.89 1l8c n THR 78 N 2.89 0.38 -1.85 0.00 -2.24 -1.26 -4.93 114.28 107.27 1l8c n THR 78 Ca 0.11 -0.43 -0.41 0.00 -2.27 0.00 0.00 64.05 61.04 1l8c n THR 78 Cb 0.36 0.53 -0.02 0.00 -2.10 0.00 0.00 70.33 69.11 1l8c n THR 78 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1l8c s ARG 79 N -0.52 4.17 0.49 -0.78 3.52 -1.26 -4.93 118.95 119.63 1l8c s ARG 79 Ca 0.05 2.49 0.18 0.00 -0.13 0.00 0.00 55.73 58.32 1l8c s ARG 79 Cb 0.04 -3.05 1.22 0.00 -1.56 0.00 0.00 34.95 31.60 1l8c s ARG 79 CO 0.00 -0.57 2.04 0.45 -0.81 0.00 0.00 175.30 176.41 1l8c h HIS 80 N 5.03 0.15 -0.37 5.12 3.86 -2.03 -3.32 115.15 123.60 1l8c h HIS 80 Ca -0.46 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 58.52 1l8c h HIS 80 Cb 1.22 -0.05 -0.35 0.00 1.06 0.00 0.00 27.41 29.28 1l8c h HIS 80 CO 0.59 0.08 -0.96 -0.40 0.86 0.00 0.00 177.93 178.10 1l8c n ASP 81 N -4.46 0.99 -4.76 2.45 5.75 -1.26 -4.91 116.55 110.35 1l8c n ASP 81 Ca 0.05 -2.08 -0.41 0.00 -0.01 0.00 0.00 54.79 52.34 1l8c n ASP 81 Cb 0.35 -0.26 -0.02 0.00 -1.03 0.00 0.00 41.12 40.16 1l8c n ASP 81 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1l8c h PRO 83 N 4.19 0.00 0.00 0.00 0.13 -1.99 -2.89 132.00 131.44 1l8c h PRO 83 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1l8c h PRO 83 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1l8c h PRO 83 CO 0.72 0.00 -0.88 0.28 -0.23 0.00 0.00 178.00 177.89 1l8c n VAL 84 N -2.55 0.00 0.06 1.56 0.31 -1.26 -4.77 118.33 111.68 1l8c n VAL 84 Ca -0.02 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.20 1l8c n VAL 84 Cb 0.07 -1.23 -0.05 0.00 -0.91 0.00 0.00 33.84 31.72 1l8c n VAL 84 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1l8c h LEU 86 N -0.37 -1.44 -0.79 0.00 7.12 -1.79 0.16 115.31 118.20 1l8c h LEU 86 Ca 0.06 0.13 0.11 0.00 0.13 0.00 0.00 57.88 58.32 1l8c h LEU 86 Cb 0.44 0.50 -0.08 0.00 -0.53 0.00 0.00 40.66 41.00 1l8c h LEU 86 CO -0.20 -0.60 0.42 1.55 -0.13 0.00 0.00 178.44 179.48 1l8c h PRO 87 N -0.86 0.64 0.40 5.25 0.13 -1.78 0.57 132.00 136.35 1l8c h PRO 87 Ca -0.03 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.04 1l8c h PRO 87 Cb 0.79 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.78 1l8c h PRO 87 CO -0.17 0.43 -0.20 -0.07 -0.23 0.00 0.00 178.00 177.76 1l8c h LEU 88 N 0.66 -0.47 -0.07 1.56 3.38 -1.30 -1.70 115.31 117.37 1l8c h LEU 88 Ca 0.40 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.42 1l8c h LEU 88 Cb 0.47 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 1l8c h LEU 88 CO -0.30 -0.33 -0.13 0.11 0.09 0.00 0.00 178.44 177.88 1l8c h LYS 89 N -0.54 -0.18 -0.42 1.13 1.57 -0.55 -0.54 116.57 117.04 1l8c h LYS 89 Ca -0.05 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.81 1l8c h LYS 89 Cb 0.42 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.71 1l8c h LYS 89 CO 0.08 -0.12 0.06 -0.97 -0.57 0.00 0.00 179.45 177.94 1l8c h ASN 90 N -0.19 -0.03 -0.12 0.86 -0.73 -0.88 -0.15 115.58 114.33 1l8c h ASN 90 Ca 0.07 0.08 -0.01 0.00 1.87 0.00 0.00 56.30 58.31 1l8c h ASN 90 Cb 0.28 0.11 -0.01 0.00 0.27 0.00 0.00 38.32 38.98 1l8c h ASN 90 CO -0.18 0.02 0.04 0.00 -0.37 0.00 0.00 177.43 176.94 1l8c h ALA 91 N 1.33 0.16 -0.47 1.57 0.00 -1.15 -3.27 119.26 117.43 1l8c h ALA 91 Ca 0.20 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1l8c h ALA 91 Cb 0.26 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1l8c h ALA 91 CO -0.28 -0.24 0.23 0.77 0.00 0.00 0.00 179.25 179.73 1l8c h SER 92 N 0.02 0.33 -3.73 0.00 0.02 -0.69 -3.44 113.55 106.06 1l8c h SER 92 Ca 0.04 0.03 -0.55 0.00 -0.84 0.00 0.00 61.79 60.47 1l8c h SER 92 Cb 0.20 -0.03 0.11 0.00 0.14 0.00 0.00 62.40 62.82 1l8c h SER 92 CO -0.00 0.23 0.70 -0.67 -1.14 0.00 0.00 176.83 175.95 1l8c n ASP 93 N -4.90 3.51 0.01 3.07 2.03 -0.10 -4.96 116.55 115.20 1l8c n ASP 93 Ca 0.03 1.22 0.00 0.00 0.52 0.00 0.00 54.79 56.57 1l8c n ASP 93 Cb 0.13 -1.58 0.00 0.00 -0.72 0.00 0.00 41.12 38.94 1l8c n ASP 93 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1l8c n LYS 94 N 0.50 0.00 0.00 -0.67 4.76 -1.26 -4.98 118.16 116.51 1l8c n LYS 94 Ca 0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1l8c n LYS 94 Cb 0.38 -0.03 0.00 0.00 -1.84 0.00 0.00 35.03 33.54 1l8c n LYS 94 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57