#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 1.29 0.32 0.00 2.15 -1.26 -5.06 116.67 114.11 1l8c s ASP 2 Ca 0.00 -0.01 0.09 0.00 0.43 0.00 0.00 52.55 53.06 1l8c s ASP 2 Cb 0.00 -0.03 0.90 0.00 -0.30 0.00 0.00 42.92 43.48 1l8c s ASP 2 CO 0.00 -0.27 1.68 -0.65 -0.17 0.00 0.00 175.17 175.76 1l8c h PRO 3 N 8.41 0.35 -0.18 4.34 0.11 -2.06 -1.37 132.00 141.60 1l8c h PRO 3 Ca -0.13 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.97 1l8c h PRO 3 Cb 1.13 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1l8c h PRO 3 CO 0.18 0.23 0.10 0.93 -0.21 0.00 0.00 178.00 179.23 1l8c h GLU 4 N 0.36 0.20 -0.24 1.05 4.39 -2.01 -2.28 114.58 116.05 1l8c h GLU 4 Ca 0.64 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.33 1l8c h GLU 4 Cb 1.35 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.94 1l8c h GLU 4 CO -0.58 0.13 0.12 0.87 -1.16 0.00 0.00 179.01 178.39 1l8c h LYS 5 N 0.20 0.33 -0.75 2.33 1.57 -1.71 -1.70 116.57 116.85 1l8c h LYS 5 Ca 0.07 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 1l8c h LYS 5 Cb 0.00 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 1l8c h LYS 5 CO -0.04 0.26 0.33 0.00 -0.57 0.00 0.00 179.45 179.43 1l8c h ARG 6 N 0.34 1.09 -0.22 3.15 3.08 -0.85 -0.73 114.38 120.24 1l8c h ARG 6 Ca 0.09 -0.17 0.02 0.00 0.07 0.00 0.00 59.98 59.99 1l8c h ARG 6 Cb 0.03 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 1l8c h ARG 6 CO -0.01 0.86 0.07 0.87 -1.07 0.00 0.00 179.97 180.69 1l8c h LYS 7 N 1.07 0.17 -0.14 0.04 1.57 -0.92 0.92 116.57 119.28 1l8c h LYS 7 Ca 0.25 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.06 1l8c h LYS 7 Cb 0.16 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 1l8c h LYS 7 CO -0.03 0.11 -0.09 -0.07 -0.57 0.00 0.00 179.45 178.80 1l8c h LEU 8 N 0.17 -0.30 0.10 2.94 3.38 -1.19 -2.04 115.31 118.37 1l8c h LEU 8 Ca 0.10 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1l8c h LEU 8 Cb 0.07 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1l8c h LEU 8 CO -0.10 -0.13 -0.08 0.40 0.09 0.00 0.00 178.44 178.62 1l8c h ILE 9 N -0.10 0.83 -0.45 1.22 2.04 -0.91 -1.56 117.51 118.58 1l8c h ILE 9 Ca 0.09 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.04 1l8c h ILE 9 Cb 0.22 0.83 -0.09 0.00 -0.74 0.00 0.00 36.82 37.04 1l8c h ILE 9 CO -0.20 0.00 -0.20 1.56 0.00 0.00 0.00 178.15 179.31 1l8c h GLN 10 N -0.18 -0.10 0.56 2.37 4.20 -0.66 0.79 115.11 122.09 1l8c h GLN 10 Ca -0.00 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 1l8c h GLN 10 Cb 0.16 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1l8c h GLN 10 CO -0.01 -0.07 -0.43 0.37 -0.67 0.00 0.00 178.83 178.02 1l8c h GLN 11 N -0.11 -0.93 -0.67 1.46 4.15 -1.24 -2.27 115.11 115.49 1l8c h GLN 11 Ca 0.21 0.06 0.14 0.00 0.77 0.00 0.00 58.65 59.84 1l8c h GLN 11 Cb 0.44 0.21 -0.10 0.00 0.21 0.00 0.00 27.48 28.24 1l8c h GLN 11 CO -0.52 -0.62 0.13 1.96 -1.93 0.00 0.00 178.83 177.85 1l8c h GLN 12 N -0.96 0.23 0.40 1.69 1.08 -0.79 0.64 115.11 117.40 1l8c h GLN 12 Ca -0.07 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.12 1l8c h GLN 12 Cb 0.81 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.17 1l8c h GLN 12 CO 0.01 0.15 -0.41 1.25 -0.95 0.00 0.00 178.83 178.89 1l8c h LEU 13 N 0.24 -1.12 -0.33 1.46 6.46 -0.75 -0.52 115.31 120.75 1l8c h LEU 13 Ca 0.37 0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 58.21 1l8c h LEU 13 Cb 0.60 0.38 -0.02 0.00 -0.73 0.00 0.00 40.66 40.89 1l8c h LEU 13 CO -0.48 -0.56 0.17 0.58 -0.62 0.00 0.00 178.44 177.53 1l8c h VAL 14 N -0.83 1.15 -0.51 1.05 2.07 -1.04 -2.38 116.25 115.76 1l8c h VAL 14 Ca -0.03 -0.41 0.02 0.00 0.82 0.00 0.00 66.70 67.10 1l8c h VAL 14 Cb 0.74 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1l8c h VAL 14 CO -0.07 0.15 0.31 -0.07 0.02 0.00 0.00 177.57 177.91 1l8c h LEU 15 N 0.40 0.50 -0.56 2.57 3.38 -0.81 0.14 115.31 120.93 1l8c h LEU 15 Ca 0.11 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.10 1l8c h LEU 15 Cb 0.09 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1l8c h LEU 15 CO -0.02 0.35 0.36 0.25 0.09 0.00 0.00 178.44 179.47 1l8c h LEU 16 N 0.61 0.60 -0.19 1.67 5.85 -0.99 0.07 115.31 122.93 1l8c h LEU 16 Ca 0.20 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 1l8c h LEU 16 Cb 0.01 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1l8c h LEU 16 CO -0.09 0.43 0.07 -0.07 -0.34 0.00 0.00 178.44 178.44 1l8c h LEU 17 N 0.72 0.27 -0.32 2.25 3.38 -1.19 -3.10 115.31 117.32 1l8c h LEU 17 Ca 0.22 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 58.07 1l8c h LEU 17 Cb -0.04 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 1l8c h LEU 17 CO -0.07 0.38 -0.09 -0.74 0.09 0.00 0.00 178.44 178.02 1l8c h HIS 18 N 0.15 -0.18 -0.73 1.13 2.76 -0.65 -2.04 115.15 115.58 1l8c h HIS 18 Ca 0.06 0.03 0.11 0.00 -2.20 0.00 0.00 60.37 58.37 1l8c h HIS 18 Cb 0.20 0.13 -0.12 0.00 1.55 0.00 0.00 27.41 29.17 1l8c h HIS 18 CO -0.01 -0.14 -0.41 0.00 -1.30 0.00 0.00 177.93 176.07 1l8c h ALA 19 N 1.31 -0.15 -0.00 5.26 0.00 -0.91 0.20 119.26 124.97 1l8c h ALA 19 Ca 0.16 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1l8c h ALA 19 Cb 0.24 0.97 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1l8c h ALA 19 CO -0.34 -0.75 0.00 1.25 0.00 0.00 0.00 179.25 179.42 1l8c h HIS 20 N -0.13 0.00 -0.46 0.00 6.17 -1.54 -1.65 115.15 117.55 1l8c h HIS 20 Ca 0.24 -0.00 0.09 0.00 0.71 0.00 0.00 60.37 61.41 1l8c h HIS 20 Cb 0.56 -0.00 -0.09 0.00 2.52 0.00 0.00 27.41 30.39 1l8c h HIS 20 CO -0.77 0.26 -0.20 -0.22 0.71 0.00 0.00 177.93 177.71 1l8c h LYS 21 N -0.25 -0.10 0.63 5.26 3.64 -0.62 -0.07 116.57 125.06 1l8c h LYS 21 Ca 0.00 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1l8c h LYS 21 Cb 0.26 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1l8c h LYS 21 CO 0.00 -0.07 -0.31 0.00 -2.27 0.00 0.00 179.45 176.81 1l8c h GLN 23 N -0.85 0.32 0.71 0.00 5.75 -0.98 -0.00 115.11 120.06 1l8c h GLN 23 Ca -0.09 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.36 1l8c h GLN 23 Cb 0.66 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.14 1l8c h GLN 23 CO 0.14 0.21 -0.37 -0.09 -2.65 0.00 0.00 178.83 176.07 1l8c h ARG 24 N 0.33 -0.96 -0.27 1.69 2.43 -0.94 -2.19 114.38 114.47 1l8c h ARG 24 Ca 0.32 0.07 0.06 0.00 -0.81 0.00 0.00 59.98 59.63 1l8c h ARG 24 Cb 0.46 0.22 -0.07 0.00 -0.42 0.00 0.00 29.97 30.15 1l8c h ARG 24 CO -0.37 -0.64 -0.25 -0.09 -1.51 0.00 0.00 179.97 177.11 1l8c h ARG 25 N -1.00 -0.24 -0.25 0.20 1.12 -0.80 -0.86 114.38 112.56 1l8c h ARG 25 Ca -0.09 0.02 0.02 0.00 -1.11 0.00 0.00 59.98 58.82 1l8c h ARG 25 Cb 0.78 0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 30.77 1l8c h ARG 25 CO 0.14 -0.16 0.09 1.49 -3.11 0.00 0.00 179.97 178.42 1l8c h GLU 26 N -0.25 0.21 -0.26 0.20 4.57 -1.03 -0.73 114.58 117.29 1l8c h GLU 26 Ca 0.14 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.30 1l8c h GLU 26 Cb 0.47 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 1l8c h GLU 26 CO -0.41 0.14 0.12 1.96 -1.18 0.00 0.00 179.01 179.64 1l8c h GLN 27 N 0.21 0.38 0.03 1.92 4.20 -1.18 -3.35 115.11 117.31 1l8c h GLN 27 Ca 0.11 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 1l8c h GLN 27 Cb 0.06 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1l8c h GLN 27 CO -0.10 0.38 -0.01 0.00 -0.67 0.00 0.00 178.83 178.42 1l8c h ALA 28 N 0.98 -0.92 -0.83 3.87 0.00 -1.01 -3.47 119.26 117.88 1l8c h ALA 28 Ca 0.09 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.18 1l8c h ALA 28 Cb 0.13 0.01 -0.24 0.00 0.00 0.00 0.00 17.79 17.69 1l8c h ALA 28 CO -0.01 -0.91 0.23 1.21 0.00 0.00 0.00 179.25 179.76 1l8c s ASN 29 N -2.15 -0.54 -1.12 0.00 3.84 -0.29 -5.10 114.94 109.58 1l8c s ASN 29 Ca -0.01 0.66 -0.17 0.00 0.21 0.00 0.00 52.86 53.56 1l8c s ASN 29 Cb 0.00 1.58 0.13 0.00 -0.55 0.00 0.00 41.25 42.41 1l8c s ASN 29 CO 0.02 -0.10 1.40 -0.83 -2.79 0.00 0.00 177.10 174.80 1l8c s GLY 30 N 2.49 2.00 0.10 1.21 0.00 -1.24 -4.67 107.32 107.22 1l8c s GLY 30 Ca -0.01 -2.99 -0.34 0.00 0.00 0.00 0.00 44.72 41.38 1l8c s GLY 30 CO -0.17 2.24 1.58 0.83 0.00 0.00 0.00 173.10 177.58 1l8c h GLU 31 N 8.01 -0.82 -3.58 2.90 5.08 -1.97 -3.44 114.58 120.75 1l8c h GLU 31 Ca 0.28 0.06 -0.22 0.00 -1.00 0.00 0.00 59.36 58.48 1l8c h GLU 31 Cb 0.93 0.19 -0.28 0.00 0.50 0.00 0.00 28.75 30.09 1l8c h GLU 31 CO 1.27 -0.55 -0.65 0.08 -1.00 0.00 0.00 179.01 178.16 1l8c s VAL 32 N -5.90 -0.00 0.06 3.13 1.01 -1.26 -5.13 120.40 112.31 1l8c s VAL 32 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 61.98 61.48 1l8c s VAL 32 Cb 0.05 -0.09 -0.12 0.00 0.00 0.00 0.00 36.38 36.22 1l8c s VAL 32 CO 0.62 0.00 1.77 -2.11 0.00 0.00 0.00 175.10 175.38 1l8c n ARG 33 N 3.07 2.37 -0.04 2.72 -4.01 -1.26 -4.88 116.66 114.63 1l8c n ARG 33 Ca -0.13 0.86 -0.05 0.00 -1.04 0.00 0.00 57.85 57.49 1l8c n ARG 33 Cb 0.59 -2.70 -0.04 0.00 -3.04 0.00 0.00 32.46 27.27 1l8c n ARG 33 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1l8c n ALA 34 N 5.28 1.82 -1.60 2.89 0.00 -1.26 -5.01 120.51 122.64 1l8c n ALA 34 Ca 0.19 -0.38 -0.48 0.00 0.00 0.00 0.00 53.44 52.77 1l8c n ALA 34 Cb 0.32 0.26 -0.05 0.00 0.00 0.00 0.00 19.45 19.97 1l8c n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l8c n SER 36 N 8.52 1.19 -3.90 0.00 7.64 -1.26 -5.05 113.62 120.76 1l8c n SER 36 Ca 0.29 -2.47 -0.27 0.00 1.01 0.00 0.00 58.87 57.44 1l8c n SER 36 Cb 0.30 -0.36 -0.17 0.00 -1.01 0.00 0.00 64.21 62.98 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 -0.83 1.19 0.19 -3.43 1.43 -1.26 -5.05 118.68 110.92 1l8c s LEU 37 Ca 0.35 -0.32 -0.08 0.00 -1.03 0.00 0.00 54.13 53.04 1l8c s LEU 37 Cb 0.38 -0.83 0.10 0.00 0.03 0.00 0.00 46.19 45.88 1l8c s LEU 37 CO -0.14 -0.13 1.67 1.55 0.23 0.00 0.00 176.35 179.53 1l8c h PRO 38 N 8.18 1.08 0.00 1.29 0.13 -2.05 -3.06 132.00 137.58 1l8c h PRO 38 Ca -0.29 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 1l8c h PRO 38 Cb 1.13 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1l8c h PRO 38 CO 0.40 1.02 0.00 0.72 -0.23 0.00 0.00 178.00 179.91 1l8c n HIS 39 N -4.19 0.00 -0.05 1.56 8.25 -1.26 -3.75 115.22 115.78 1l8c n HIS 39 Ca 0.04 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.41 1l8c n HIS 39 Cb 0.32 -0.32 -0.02 0.00 1.12 0.00 0.00 29.99 31.10 1l8c n HIS 39 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1l8c h ARG 41 N -0.26 0.76 0.04 0.00 2.43 -1.82 0.19 114.38 115.72 1l8c h ARG 41 Ca 0.14 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1l8c h ARG 41 Cb 0.47 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1l8c h ARG 41 CO -0.39 0.50 -0.02 1.15 -1.51 0.00 0.00 179.97 179.70 1l8c h THR 42 N 0.78 0.95 -0.65 0.20 2.02 -1.58 -1.87 112.91 112.77 1l8c h THR 42 Ca 0.41 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.57 1l8c h THR 42 Cb 0.40 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 1l8c h THR 42 CO -0.26 0.00 0.33 0.24 0.37 0.00 0.00 175.52 176.20 1l8c h MET 43 N -0.06 0.90 -0.83 6.66 2.86 -0.48 -1.81 114.93 122.17 1l8c h MET 43 Ca -0.00 -0.11 0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1l8c h MET 43 Cb 0.05 -0.18 -0.05 0.00 0.06 0.00 0.00 31.60 31.49 1l8c h MET 43 CO 0.01 0.68 0.54 0.87 1.06 0.00 0.00 176.91 180.07 1l8c h LYS 44 N 0.91 1.05 -0.13 1.72 1.57 -0.67 0.14 116.57 121.17 1l8c h LYS 44 Ca 0.23 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1l8c h LYS 44 Cb 0.06 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 1l8c h LYS 44 CO -0.03 0.70 0.06 -0.91 -0.57 0.00 0.00 179.45 178.69 1l8c h ASN 45 N 1.08 0.17 0.20 0.86 2.35 -0.92 -1.50 115.58 117.83 1l8c h ASN 45 Ca 0.32 -0.12 0.01 0.00 -0.55 0.00 0.00 56.30 55.96 1l8c h ASN 45 Cb -0.06 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 1l8c h ASN 45 CO -0.09 0.24 -0.35 0.58 -1.65 0.00 0.00 177.43 176.16 1l8c h VAL 46 N 0.08 0.27 -0.45 2.81 2.07 -0.97 -2.30 116.25 117.76 1l8c h VAL 46 Ca 0.04 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.64 1l8c h VAL 46 Cb 0.12 0.27 -0.10 0.00 -1.52 0.00 0.00 31.29 30.07 1l8c h VAL 46 CO -0.01 0.00 -0.39 0.25 0.02 0.00 0.00 177.57 177.44 1l8c h LEU 47 N -0.63 -1.31 -0.02 2.57 7.12 -0.68 0.11 115.31 122.47 1l8c h LEU 47 Ca 0.01 0.22 0.03 0.00 0.13 0.00 0.00 57.88 58.27 1l8c h LEU 47 Cb 0.62 0.60 -0.05 0.00 -0.53 0.00 0.00 40.66 41.30 1l8c h LEU 47 CO -0.15 -0.34 -0.35 -1.13 -0.13 0.00 0.00 178.44 176.33 1l8c h ASN 48 N -0.27 -1.05 -0.35 1.25 -1.24 -1.17 -2.42 115.58 110.32 1l8c h ASN 48 Ca 0.17 0.14 0.06 0.00 0.71 0.00 0.00 56.30 57.37 1l8c h ASN 48 Cb 0.57 0.42 -0.05 0.00 0.73 0.00 0.00 38.32 39.99 1l8c h ASN 48 CO -0.60 -0.40 0.04 -0.74 -1.29 0.00 0.00 177.43 174.45 1l8c h HIS 49 N -0.49 0.06 -0.77 0.67 2.76 -0.95 -2.97 115.15 113.47 1l8c h HIS 49 Ca 0.06 0.02 0.18 0.00 -2.20 0.00 0.00 60.37 58.43 1l8c h HIS 49 Cb 0.59 0.02 -0.12 0.00 1.55 0.00 0.00 27.41 29.45 1l8c h HIS 49 CO -0.38 -0.01 0.15 1.98 -1.30 0.00 0.00 177.93 178.37 1l8c h MET 50 N 0.15 0.21 -0.61 5.26 4.05 -0.36 -0.03 114.93 123.61 1l8c h MET 50 Ca 0.17 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.54 1l8c h MET 50 Cb 0.20 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 30.93 1l8c h MET 50 CO -0.24 0.14 0.27 1.79 0.23 0.00 0.00 176.91 179.10 1l8c h THR 51 N 0.22 1.22 0.02 -0.77 1.35 -1.28 -3.29 112.91 110.38 1l8c h THR 51 Ca 0.44 -0.66 -0.00 0.00 -0.55 0.00 0.00 66.41 65.63 1l8c h THR 51 Cb 0.79 0.53 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 1l8c h THR 51 CO -0.57 0.26 -0.01 0.45 -0.25 0.00 0.00 175.52 175.40 1l8c h HIS 52 N 0.84 -0.03 -3.89 4.73 3.86 -1.34 -3.46 115.15 115.87 1l8c h HIS 52 Ca 0.21 -0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.89 1l8c h HIS 52 Cb 0.16 0.01 0.07 0.00 1.06 0.00 0.00 27.41 28.71 1l8c h HIS 52 CO 0.01 0.59 0.65 0.00 0.86 0.00 0.00 177.93 180.04 1l8c n GLN 54 N 0.75 2.78 0.04 0.00 6.02 -1.26 -4.83 117.38 120.87 1l8c n GLN 54 Ca 0.00 -0.14 -0.13 0.00 -0.01 0.00 0.00 57.00 56.72 1l8c n GLN 54 Cb 0.41 -0.56 -0.09 0.00 1.02 0.00 0.00 30.24 31.03 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 -0.09 -0.66 -1.58 0.00 -1.97 -3.47 119.26 111.49 1l8c h ALA 55 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1l8c h ALA 55 Cb 0.05 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1l8c h ALA 55 CO 0.00 -0.40 0.00 0.41 0.00 0.00 0.00 179.25 179.26 1l8c n GLY 56 N -0.29 0.92 0.12 0.00 0.00 -1.26 -3.78 105.19 100.89 1l8c n GLY 56 Ca -0.08 0.47 -0.09 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.03 0.00 1.61 1.79 -1.91 -2.99 116.57 115.05 1l8c h LYS 57 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1l8c h LYS 57 Cb 0.00 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 1l8c h LYS 57 CO 0.00 -0.02 0.00 0.00 -1.08 0.00 0.00 179.45 178.35 1l8c h ALA 58 N 1.15 1.00 -2.56 3.86 0.00 -1.98 -3.46 119.26 117.26 1l8c h ALA 58 Ca 0.09 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.48 1l8c h ALA 58 Cb 0.17 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.00 1l8c h ALA 58 CO -0.21 0.00 0.97 0.00 0.00 0.00 0.00 179.25 180.01 1l8c h GLN 60 N 7.47 0.30 -6.26 0.00 4.20 -1.89 -3.43 115.11 115.50 1l8c h GLN 60 Ca -0.43 -0.05 -0.56 0.00 0.06 0.00 0.00 58.65 57.67 1l8c h GLN 60 Cb 1.21 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 1l8c h GLN 60 CO 0.93 0.36 1.15 0.08 -0.67 0.00 0.00 178.83 180.68 1l8c s VAL 61 N -4.92 3.55 0.14 -0.54 1.01 -1.26 -4.93 120.40 113.45 1l8c s VAL 61 Ca -0.06 0.64 -0.27 0.00 0.00 0.00 0.00 61.98 62.28 1l8c s VAL 61 Cb 0.16 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 1l8c s VAL 61 CO 0.73 -0.15 1.59 0.00 0.00 0.00 0.00 175.10 177.26 1l8c h ALA 62 N 10.57 -0.46 -0.64 5.51 0.00 -2.00 -2.71 119.26 129.53 1l8c h ALA 62 Ca -0.38 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.60 1l8c h ALA 62 Cb 1.18 0.78 -0.05 0.00 0.00 0.00 0.00 17.79 19.70 1l8c h ALA 62 CO 0.97 -0.86 0.38 0.45 0.00 0.00 0.00 179.25 180.19 1l8c h HIS 63 N -0.40 0.70 -0.09 0.00 3.86 -1.96 -1.82 115.15 115.44 1l8c h HIS 63 Ca 0.11 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.38 1l8c h HIS 63 Cb 0.59 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.80 1l8c h HIS 63 CO -0.52 0.37 -0.17 0.00 0.86 0.00 0.00 177.93 178.48 1l8c h ALA 65 N 0.77 -1.03 0.38 0.00 0.00 -1.29 -3.30 119.26 114.79 1l8c h ALA 65 Ca 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1l8c h ALA 65 Cb 0.35 0.70 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1l8c h ALA 65 CO -0.22 -1.13 -0.23 0.77 0.00 0.00 0.00 179.25 178.44 1l8c h SER 66 N -0.92 -0.57 -1.06 0.00 0.02 -1.16 -3.30 113.55 106.57 1l8c h SER 66 Ca -0.04 0.03 0.28 0.00 -0.84 0.00 0.00 61.79 61.22 1l8c h SER 66 Cb 0.82 0.17 -0.08 0.00 0.14 0.00 0.00 62.40 63.45 1l8c h SER 66 CO -0.10 -0.37 0.71 0.77 -1.14 0.00 0.00 176.83 176.71 1l8c h SER 67 N -0.58 0.30 -0.80 3.07 4.64 -0.89 -1.08 113.55 118.22 1l8c h SER 67 Ca -0.04 0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.29 1l8c h SER 67 Cb 0.48 0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 62.54 1l8c h SER 67 CO 0.05 0.06 0.33 0.03 -0.87 0.00 0.00 176.83 176.42 1l8c h ARG 68 N 0.27 1.19 0.09 4.77 3.08 -1.64 -3.07 114.38 119.07 1l8c h ARG 68 Ca 0.57 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 60.41 1l8c h ARG 68 Cb 1.70 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.55 1l8c h ARG 68 CO -0.20 0.95 -0.04 1.96 -1.07 0.00 0.00 179.97 181.57 1l8c h GLN 69 N 1.16 -0.11 -0.84 0.04 7.50 -1.37 -2.33 115.11 119.16 1l8c h GLN 69 Ca 0.27 0.01 0.14 0.00 0.50 0.00 0.00 58.65 59.57 1l8c h GLN 69 Cb 0.20 0.03 -0.09 0.00 0.05 0.00 0.00 27.48 27.67 1l8c h GLN 69 CO -0.02 0.21 0.43 -0.84 -1.50 0.00 0.00 178.83 177.10 1l8c h ILE 70 N -0.44 0.73 -0.20 2.54 3.07 -1.53 0.11 117.51 121.78 1l8c h ILE 70 Ca -0.01 -0.21 -0.08 0.00 1.55 0.00 0.00 64.86 66.11 1l8c h ILE 70 Cb 0.38 0.06 -0.00 0.00 -0.27 0.00 0.00 36.82 36.99 1l8c h ILE 70 CO 0.02 0.11 -0.17 0.40 -1.05 0.00 0.00 178.15 177.46 1l8c h ILE 71 N 0.62 1.32 -0.38 0.16 1.08 -1.60 -2.16 117.51 116.55 1l8c h ILE 71 Ca 0.45 -1.32 0.08 0.00 -0.39 0.00 0.00 64.86 63.69 1l8c h ILE 71 Cb 0.63 1.73 -0.08 0.00 -3.07 0.00 0.00 36.82 36.03 1l8c h ILE 71 CO -0.36 0.40 -0.14 0.28 -0.69 0.00 0.00 178.15 177.64 1l8c h SER 72 N 0.16 -0.50 0.15 1.72 0.02 -0.71 -0.90 113.55 113.49 1l8c h SER 72 Ca 0.04 0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1l8c h SER 72 Cb 0.71 0.29 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 1l8c h SER 72 CO 0.04 -0.18 -0.16 -0.74 -1.14 0.00 0.00 176.83 174.66 1l8c h HIS 73 N -0.06 -0.45 -0.69 3.45 -0.00 -0.80 -2.36 115.15 114.24 1l8c h HIS 73 Ca 0.19 0.00 0.12 0.00 -0.00 0.00 0.00 60.37 60.68 1l8c h HIS 73 Cb 0.35 0.18 -0.08 0.00 -0.00 0.00 0.00 27.41 27.85 1l8c h HIS 73 CO -0.38 -0.21 0.27 2.35 -0.00 0.00 0.00 177.93 179.95 1l8c h TRP 74 N -0.31 0.46 -0.51 5.26 7.01 -1.26 0.48 115.95 127.09 1l8c h TRP 74 Ca -0.02 0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.06 1l8c h TRP 74 Cb 0.27 -0.10 -0.05 0.00 -2.10 0.00 0.00 29.16 27.19 1l8c h TRP 74 CO -0.15 0.08 0.25 -0.22 -2.79 0.00 0.00 178.44 175.61 1l8c h LYS 75 N 0.43 0.47 0.23 2.65 3.64 -1.17 -3.21 116.57 119.61 1l8c h LYS 75 Ca 0.37 -0.03 -0.30 0.00 -1.27 0.00 0.00 60.65 59.42 1l8c h LYS 75 Cb 0.51 -0.11 0.04 0.00 -0.41 0.00 0.00 32.23 32.26 1l8c h LYS 75 CO -0.36 0.31 -1.33 -0.91 -2.27 0.00 0.00 179.45 174.89 1l8c h ASN 76 N 0.48 0.77 -3.64 4.20 2.35 -0.89 -3.47 115.58 115.38 1l8c h ASN 76 Ca 0.23 -0.93 -0.55 0.00 -0.55 0.00 0.00 56.30 54.51 1l8c h ASN 76 Cb 0.16 -0.25 0.10 0.00 0.05 0.00 0.00 38.32 38.38 1l8c h ASN 76 CO -0.17 1.64 0.75 0.00 -1.65 0.00 0.00 177.43 178.00 1l8c n THR 78 N 0.85 0.30 -1.79 0.00 -2.24 -1.26 -4.95 114.28 105.18 1l8c n THR 78 Ca 0.04 -0.30 -0.42 0.00 -2.27 0.00 0.00 64.05 61.09 1l8c n THR 78 Cb 0.38 0.82 -0.03 0.00 -2.10 0.00 0.00 70.33 69.39 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 -0.32 4.16 0.35 -0.78 3.52 -1.26 -4.91 118.95 119.71 1l8c s ARG 79 Ca 0.01 2.52 0.25 0.00 -0.13 0.00 0.00 55.73 58.37 1l8c s ARG 79 Cb 0.01 -3.35 1.28 0.00 -1.56 0.00 0.00 34.95 31.33 1l8c s ARG 79 CO 0.00 -0.76 1.76 0.45 -0.81 0.00 0.00 175.30 175.94 1l8c h HIS 80 N 7.67 0.00 0.00 5.12 3.86 -2.00 -3.24 115.15 126.56 1l8c h HIS 80 Ca -0.44 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 58.62 1l8c h HIS 80 Cb 1.21 0.00 -0.30 0.00 1.06 0.00 0.00 27.41 29.38 1l8c h HIS 80 CO 0.72 0.00 -0.85 -0.40 0.86 0.00 0.00 177.93 178.25 1l8c n ASP 81 N -2.37 0.60 -4.77 2.45 5.75 -1.26 -4.88 116.55 112.07 1l8c n ASP 81 Ca -0.01 -1.98 -0.41 0.00 -0.01 0.00 0.00 54.79 52.38 1l8c n ASP 81 Cb 0.08 -0.20 -0.01 0.00 -1.03 0.00 0.00 41.12 39.95 1l8c n ASP 81 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1l8c n PRO 83 N 1.09 0.10 0.00 0.00 -0.04 -1.26 -2.80 135.00 132.09 1l8c n PRO 83 Ca 0.02 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1l8c n PRO 83 Cb 0.40 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 1l8c n PRO 83 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1l8c n VAL 84 N -1.19 0.00 -0.07 0.52 0.31 -1.26 -4.85 118.33 111.78 1l8c n VAL 84 Ca 0.03 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.29 1l8c n VAL 84 Cb 0.03 -0.80 -0.01 0.00 -0.91 0.00 0.00 33.84 32.16 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 0.10 -1.32 -0.75 0.00 7.12 -1.76 0.86 115.31 119.56 1l8c h LEU 86 Ca 0.13 0.13 0.05 0.00 0.13 0.00 0.00 57.88 58.31 1l8c h LEU 86 Cb 0.16 0.47 -0.05 0.00 -0.53 0.00 0.00 40.66 40.71 1l8c h LEU 86 CO -0.20 -0.51 0.46 1.55 -0.13 0.00 0.00 178.44 179.60 1l8c h PRO 87 N -0.72 0.84 -0.02 5.25 0.13 -1.81 -0.12 132.00 135.55 1l8c h PRO 87 Ca -0.02 -0.05 0.02 0.00 -0.87 0.00 0.00 66.00 65.08 1l8c h PRO 87 Cb 0.69 -0.19 -0.03 0.00 0.13 0.00 0.00 31.00 31.60 1l8c h PRO 87 CO -0.19 0.56 -0.11 -0.07 -0.23 0.00 0.00 178.00 177.96 1l8c h LEU 88 N 0.87 -0.31 -0.26 1.56 3.38 -1.35 -1.02 115.31 118.18 1l8c h LEU 88 Ca 0.32 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.34 1l8c h LEU 88 Cb 0.10 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1l8c h LEU 88 CO -0.15 -0.15 0.16 0.50 0.09 0.00 0.00 178.44 178.90 1l8c h LYS 89 N -0.17 0.32 -0.22 1.13 3.64 -0.54 -0.92 116.57 119.81 1l8c h LYS 89 Ca 0.05 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1l8c h LYS 89 Cb 0.23 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 1l8c h LYS 89 CO -0.12 0.21 0.01 -0.97 -2.27 0.00 0.00 179.45 176.31 1l8c h ASN 90 N 0.33 -0.07 0.03 4.20 -0.73 -0.89 -3.00 115.58 115.46 1l8c h ASN 90 Ca 0.10 0.05 -0.00 0.00 1.87 0.00 0.00 56.30 58.31 1l8c h ASN 90 Cb -0.03 0.08 0.00 0.00 0.27 0.00 0.00 38.32 38.64 1l8c h ASN 90 CO -0.03 -0.01 -0.01 0.00 -0.37 0.00 0.00 177.43 177.01 1l8c h ALA 91 N 1.19 -0.04 -0.58 1.57 0.00 -1.08 -3.40 119.26 116.92 1l8c h ALA 91 Ca 0.10 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.74 1l8c h ALA 91 Cb 0.13 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1l8c h ALA 91 CO -0.17 -0.48 0.59 -1.12 0.00 0.00 0.00 179.25 178.06 1l8c s SER 92 N -5.24 4.77 -0.28 0.00 0.01 -0.36 -4.90 113.70 107.70 1l8c s SER 92 Ca -0.14 -0.66 -0.03 0.00 1.31 0.00 0.00 55.95 56.44 1l8c s SER 92 Cb 0.05 -2.56 0.09 0.00 0.21 0.00 0.00 66.02 63.81 1l8c s SER 92 CO 0.66 -3.14 0.10 -0.62 0.41 0.00 0.00 173.24 170.66 1l8c s ASP 93 N 8.48 3.64 0.11 2.44 2.15 -1.26 -4.88 116.67 127.35 1l8c s ASP 93 Ca 0.75 -1.36 -0.31 0.00 0.43 0.00 0.00 52.55 52.06 1l8c s ASP 93 Cb -0.07 -0.60 -0.10 0.00 -0.30 0.00 0.00 42.92 41.85 1l8c s ASP 93 CO 0.04 -0.41 1.78 -0.54 -0.17 0.00 0.00 175.17 175.87 1l8c s LYS 94 N 1.87 4.15 0.00 4.34 1.02 -1.26 -5.23 119.74 124.62 1l8c s LYS 94 Ca 0.08 2.53 0.05 0.00 0.02 0.00 0.00 55.97 58.65 1l8c s LYS 94 Cb -0.17 -3.57 0.27 0.00 -0.52 0.00 0.00 37.83 33.84 1l8c s LYS 94 CO -0.28 -0.81 0.75 0.54 -0.92 0.00 0.00 175.35 174.63