#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 0.03 0.25 0.00 -1.08 -1.26 -5.08 116.67 109.54 1l8c s ASP 2 Ca 0.00 0.05 -0.04 0.00 -0.52 0.00 0.00 52.55 52.04 1l8c s ASP 2 Cb 0.00 -0.03 0.49 0.00 -1.46 0.00 0.00 42.92 41.93 1l8c s ASP 2 CO 0.00 -0.09 1.68 -0.65 0.52 0.00 0.00 175.17 176.63 1l8c h PRO 3 N 6.91 0.25 -0.60 4.34 0.11 -2.06 -2.14 132.00 138.81 1l8c h PRO 3 Ca -0.39 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 1l8c h PRO 3 Cb 1.15 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 1l8c h PRO 3 CO 0.48 0.17 0.35 0.93 -0.21 0.00 0.00 178.00 179.72 1l8c h GLU 4 N 0.26 0.82 -0.06 1.05 5.08 -2.00 -2.07 114.58 117.66 1l8c h GLU 4 Ca 0.43 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.68 1l8c h GLU 4 Cb 0.76 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1l8c h GLU 4 CO -0.53 0.60 -0.11 0.87 -1.00 0.00 0.00 179.01 178.84 1l8c h LYS 5 N 0.81 0.08 -0.65 2.33 1.57 -1.84 -1.51 116.57 117.36 1l8c h LYS 5 Ca 0.21 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.90 1l8c h LYS 5 Cb 0.00 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1l8c h LYS 5 CO -0.04 0.20 0.10 -0.09 -0.57 0.00 0.00 179.45 179.05 1l8c h ARG 6 N 0.08 1.08 -0.62 3.15 2.43 -0.89 -1.12 114.38 118.49 1l8c h ARG 6 Ca 0.02 -0.29 0.02 0.00 -0.81 0.00 0.00 59.98 58.92 1l8c h ARG 6 Cb 0.25 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 1l8c h ARG 6 CO 0.02 1.00 0.39 0.87 -1.51 0.00 0.00 179.97 180.73 1l8c h LYS 7 N 1.00 0.76 0.10 0.20 1.57 -0.80 0.03 116.57 119.42 1l8c h LYS 7 Ca 0.20 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1l8c h LYS 7 Cb 0.44 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1l8c h LYS 7 CO 0.01 0.50 -0.12 -0.07 -0.57 0.00 0.00 179.45 179.20 1l8c h LEU 8 N 0.78 -0.32 -0.09 2.94 3.38 -1.05 -0.75 115.31 120.20 1l8c h LEU 8 Ca 0.24 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.28 1l8c h LEU 8 Cb -0.02 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1l8c h LEU 8 CO -0.09 -0.18 -0.15 0.40 0.09 0.00 0.00 178.44 178.51 1l8c h ILE 9 N -0.26 0.60 -0.45 1.22 2.04 -0.95 -1.25 117.51 118.47 1l8c h ILE 9 Ca 0.01 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.96 1l8c h ILE 9 Cb 0.25 0.60 -0.10 0.00 -0.74 0.00 0.00 36.82 36.84 1l8c h ILE 9 CO -0.04 0.00 -0.30 1.56 0.00 0.00 0.00 178.15 179.36 1l8c h GLN 10 N -0.21 -0.20 0.32 2.37 4.20 -0.83 -0.21 115.11 120.55 1l8c h GLN 10 Ca 0.08 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1l8c h GLN 10 Cb 0.32 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 1l8c h GLN 10 CO -0.21 -0.13 -0.48 0.37 -0.67 0.00 0.00 178.83 177.71 1l8c h GLN 11 N -0.21 -0.82 -0.94 1.46 4.15 -0.78 -2.46 115.11 115.52 1l8c h GLN 11 Ca 0.19 0.06 0.12 0.00 0.77 0.00 0.00 58.65 59.79 1l8c h GLN 11 Cb 0.53 0.19 -0.07 0.00 0.21 0.00 0.00 27.48 28.33 1l8c h GLN 11 CO -0.57 -0.54 0.60 1.96 -1.93 0.00 0.00 178.83 178.35 1l8c h GLN 12 N -0.85 0.87 0.45 1.69 1.08 -0.82 -0.27 115.11 117.26 1l8c h GLN 12 Ca -0.03 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 1l8c h GLN 12 Cb 0.79 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 28.00 1l8c h GLN 12 CO -0.16 0.58 -0.47 1.25 -0.95 0.00 0.00 178.83 179.08 1l8c h LEU 13 N 0.90 -1.28 -0.47 1.46 6.46 -0.80 0.04 115.31 121.62 1l8c h LEU 13 Ca 0.46 0.11 0.01 0.00 -0.12 0.00 0.00 57.88 58.33 1l8c h LEU 13 Cb 0.50 0.43 -0.03 0.00 -0.73 0.00 0.00 40.66 40.84 1l8c h LEU 13 CO -0.22 -0.62 0.30 0.58 -0.62 0.00 0.00 178.44 177.86 1l8c h VAL 14 N -0.93 1.09 -0.26 1.05 2.07 -1.00 -2.17 116.25 116.09 1l8c h VAL 14 Ca -0.05 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.29 1l8c h VAL 14 Cb 0.82 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1l8c h VAL 14 CO -0.07 0.11 0.09 -0.07 0.02 0.00 0.00 177.57 177.65 1l8c h LEU 15 N 0.61 0.11 -0.45 2.57 3.38 -0.93 -1.34 115.31 119.26 1l8c h LEU 15 Ca 0.18 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1l8c h LEU 15 Cb -0.03 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1l8c h LEU 15 CO -0.06 0.10 0.29 0.25 0.09 0.00 0.00 178.44 179.10 1l8c h LEU 16 N 0.22 0.52 -0.17 1.67 5.85 -0.82 -0.38 115.31 122.19 1l8c h LEU 16 Ca 0.11 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.82 1l8c h LEU 16 Cb 0.08 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1l8c h LEU 16 CO -0.11 0.39 0.06 -0.07 -0.34 0.00 0.00 178.44 178.37 1l8c h LEU 17 N 0.60 0.07 -0.17 2.25 4.07 -1.27 -2.91 115.31 117.95 1l8c h LEU 17 Ca 0.16 0.02 0.05 0.00 0.08 0.00 0.00 57.88 58.19 1l8c h LEU 17 Cb -0.05 0.01 -0.06 0.00 1.08 0.00 0.00 40.66 41.64 1l8c h LEU 17 CO -0.03 0.07 -0.18 -0.74 -1.08 0.00 0.00 178.44 176.47 1l8c h HIS 18 N 0.15 -0.48 -0.96 1.13 2.76 -0.90 -2.25 115.15 114.60 1l8c h HIS 18 Ca 0.07 0.03 0.24 0.00 -2.20 0.00 0.00 60.37 58.51 1l8c h HIS 18 Cb 0.04 0.24 -0.18 0.00 1.55 0.00 0.00 27.41 29.06 1l8c h HIS 18 CO -0.11 -0.26 -0.05 0.00 -1.30 0.00 0.00 177.93 176.21 1l8c h ALA 19 N 0.84 0.98 0.06 5.26 0.00 -0.87 0.16 119.26 125.69 1l8c h ALA 19 Ca 0.11 0.34 -0.11 0.00 0.00 0.00 0.00 54.91 55.26 1l8c h ALA 19 Cb 0.38 0.62 0.01 0.00 0.00 0.00 0.00 17.79 18.80 1l8c h ALA 19 CO -0.30 -0.50 -0.45 1.25 0.00 0.00 0.00 179.25 179.25 1l8c h HIS 20 N 0.02 0.34 -0.38 0.00 6.17 -1.55 -3.24 115.15 116.50 1l8c h HIS 20 Ca 0.54 -0.23 0.08 0.00 0.71 0.00 0.00 60.37 61.48 1l8c h HIS 20 Cb 1.03 -0.02 -0.08 0.00 2.52 0.00 0.00 27.41 30.86 1l8c h HIS 20 CO -0.56 1.13 -0.16 -0.22 0.71 0.00 0.00 177.93 178.82 1l8c h LYS 21 N -0.54 -0.09 -0.29 5.26 3.64 -0.68 -1.84 116.57 122.03 1l8c h LYS 21 Ca -0.07 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.37 1l8c h LYS 21 Cb 1.30 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 33.06 1l8c h LYS 21 CO 0.09 -0.06 -0.41 0.00 -2.27 0.00 0.00 179.45 176.80 1l8c h GLN 23 N -0.38 -0.13 -0.21 0.00 4.20 -1.50 -1.47 115.11 115.61 1l8c h GLN 23 Ca 0.12 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.88 1l8c h GLN 23 Cb 0.59 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.36 1l8c h GLN 23 CO -0.49 -0.09 -0.08 -0.09 -0.67 0.00 0.00 178.83 177.41 1l8c h ARG 24 N -0.14 -0.05 0.02 1.46 9.65 -0.70 -0.87 114.38 123.77 1l8c h ARG 24 Ca 0.12 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 59.02 1l8c h ARG 24 Cb 0.32 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.89 1l8c h ARG 24 CO -0.30 -0.03 -0.11 0.00 2.80 0.00 0.00 179.97 182.33 1l8c h ARG 25 N -0.05 -0.19 -0.42 0.20 2.47 -0.64 -0.11 114.38 115.65 1l8c h ARG 25 Ca 0.11 0.01 0.04 0.00 -1.26 0.00 0.00 59.98 58.88 1l8c h ARG 25 Cb 0.21 0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 28.54 1l8c h ARG 25 CO -0.25 -0.13 0.19 1.49 0.56 0.00 0.00 179.97 181.83 1l8c h GLU 26 N -0.20 0.37 -0.25 0.04 4.57 -1.11 -0.94 114.58 117.06 1l8c h GLU 26 Ca 0.03 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 1l8c h GLU 26 Cb 0.24 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 1l8c h GLU 26 CO -0.09 0.25 0.07 1.96 -1.18 0.00 0.00 179.01 180.01 1l8c h GLN 27 N 0.38 0.39 -0.08 1.92 1.08 -1.03 -2.69 115.11 115.09 1l8c h GLN 27 Ca 0.18 -0.09 0.02 0.00 -1.45 0.00 0.00 58.65 57.31 1l8c h GLN 27 Cb 0.12 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 1l8c h GLN 27 CO -0.15 0.48 -0.02 0.00 -0.95 0.00 0.00 178.83 178.19 1l8c h ALA 28 N 0.90 0.05 -2.80 3.87 0.00 -0.77 -3.40 119.26 117.11 1l8c h ALA 28 Ca 0.08 0.03 -0.55 0.00 0.00 0.00 0.00 54.91 54.47 1l8c h ALA 28 Cb 0.25 0.06 -0.40 0.00 0.00 0.00 0.00 17.79 17.70 1l8c h ALA 28 CO -0.00 -0.49 -0.79 1.21 0.00 0.00 0.00 179.25 179.18 1l8c s ASN 29 N -5.20 3.48 -1.30 0.00 2.47 -0.38 -5.07 114.94 108.94 1l8c s ASN 29 Ca -0.13 -1.60 -0.14 0.00 0.42 0.00 0.00 52.86 51.41 1l8c s ASN 29 Cb 0.08 -0.46 0.11 0.00 -1.45 0.00 0.00 41.25 39.53 1l8c s ASN 29 CO 0.67 -0.40 1.77 0.61 -3.72 0.00 0.00 177.10 176.03 1l8c n GLY 30 N 4.84 3.61 0.03 1.21 0.00 -1.02 -4.46 105.19 109.41 1l8c n GLY 30 Ca -0.01 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1l8c n GLY 30 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1l8c n GLU 31 N 6.22 0.00 -2.76 1.61 2.13 -1.26 -5.08 120.64 121.50 1l8c n GLU 31 Ca 0.44 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.84 1l8c n GLU 31 Cb 0.42 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.10 1l8c n GLU 31 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1l8c s VAL 32 N -0.01 4.86 -0.05 6.31 1.01 -1.26 -4.99 120.40 126.27 1l8c s VAL 32 Ca 0.00 1.94 -0.34 0.00 0.00 0.00 0.00 61.98 63.58 1l8c s VAL 32 Cb 0.00 -4.27 -0.12 0.00 0.00 0.00 0.00 36.38 32.00 1l8c s VAL 32 CO 0.00 0.11 1.86 -1.14 0.00 0.00 0.00 175.10 175.93 1l8c n ARG 33 N 4.38 2.24 0.01 2.72 0.63 -1.26 -4.90 116.66 120.48 1l8c n ARG 33 Ca 0.06 0.82 -0.12 0.00 -0.92 0.00 0.00 57.85 57.69 1l8c n ARG 33 Cb 0.50 -2.67 -0.07 0.00 0.45 0.00 0.00 32.46 30.67 1l8c n ARG 33 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1l8c h ALA 34 N 9.00 0.05 -2.90 5.13 0.00 -1.92 -3.46 119.26 125.17 1l8c h ALA 34 Ca -0.48 -0.08 -0.53 0.00 0.00 0.00 0.00 54.91 53.81 1l8c h ALA 34 Cb 1.27 -0.02 0.11 0.00 0.00 0.00 0.00 17.79 19.15 1l8c h ALA 34 CO 0.94 -0.37 0.56 0.00 0.00 0.00 0.00 179.25 180.39 1l8c n SER 36 N -0.79 0.08 -4.77 0.00 3.41 -1.26 -5.11 113.62 105.18 1l8c n SER 36 Ca 0.09 0.38 -0.41 0.00 -0.26 0.00 0.00 58.87 58.67 1l8c n SER 36 Cb 0.46 0.24 -0.01 0.00 -0.26 0.00 0.00 64.21 64.64 1l8c n SER 36 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1l8c s LEU 37 N -6.80 4.34 0.01 1.04 1.43 -1.26 -4.99 118.68 112.45 1l8c s LEU 37 Ca 0.00 2.98 -0.25 0.00 -1.03 0.00 0.00 54.13 55.83 1l8c s LEU 37 Cb 0.00 -3.66 -0.16 0.00 0.03 0.00 0.00 46.19 42.40 1l8c s LEU 37 CO 0.00 -0.85 1.25 1.55 0.23 0.00 0.00 176.35 178.52 1l8c h PRO 38 N 3.63 -0.45 0.00 1.29 0.13 -2.04 -3.27 132.00 131.28 1l8c h PRO 38 Ca -0.49 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1l8c h PRO 38 Cb 1.23 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1l8c h PRO 38 CO 0.69 -0.14 0.00 0.72 -0.23 0.00 0.00 178.00 179.04 1l8c n HIS 39 N -5.17 0.00 -0.19 1.56 8.25 -1.26 -3.85 115.22 114.57 1l8c n HIS 39 Ca -0.10 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.36 1l8c n HIS 39 Cb 0.27 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.47 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 0.13 0.58 0.53 0.00 0.11 -1.85 0.11 114.38 113.99 1l8c h ARG 41 Ca 0.29 -0.03 -0.02 0.00 0.10 0.00 0.00 59.98 60.32 1l8c h ARG 41 Cb 0.46 -0.13 -0.00 0.00 1.11 0.00 0.00 29.97 31.41 1l8c h ARG 41 CO -0.48 0.38 -0.31 1.15 0.10 0.00 0.00 179.97 180.82 1l8c h THR 42 N 0.60 0.36 -0.68 0.08 2.02 -1.50 -2.17 112.91 111.61 1l8c h THR 42 Ca 0.53 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.76 1l8c h THR 42 Cb 0.87 0.36 -0.04 0.00 -1.74 0.00 0.00 68.15 67.60 1l8c h THR 42 CO -0.42 0.00 0.45 0.24 0.37 0.00 0.00 175.52 176.16 1l8c h MET 43 N -0.80 0.76 -0.27 6.66 2.86 -0.78 -1.92 114.93 121.44 1l8c h MET 43 Ca -0.06 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 1l8c h MET 43 Cb 0.64 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1l8c h MET 43 CO 0.07 0.50 0.10 0.87 1.06 0.00 0.00 176.91 179.51 1l8c h LYS 44 N 0.78 0.41 -0.34 1.72 1.57 -0.62 0.15 116.57 120.23 1l8c h LYS 44 Ca 0.28 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 59.01 1l8c h LYS 44 Cb 0.13 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1l8c h LYS 44 CO -0.08 0.45 0.14 -0.91 -0.57 0.00 0.00 179.45 178.48 1l8c h ASN 45 N 0.28 0.19 0.54 0.86 2.35 -1.06 -1.25 115.58 117.50 1l8c h ASN 45 Ca 0.09 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 1l8c h ASN 45 Cb 0.20 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 1l8c h ASN 45 CO -0.01 0.15 -0.44 0.58 -1.65 0.00 0.00 177.43 176.06 1l8c h VAL 46 N 0.31 0.12 -0.66 2.81 2.07 -1.24 -2.65 116.25 117.01 1l8c h VAL 46 Ca 0.15 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.77 1l8c h VAL 46 Cb 0.09 0.12 -0.11 0.00 -1.52 0.00 0.00 31.29 29.87 1l8c h VAL 46 CO -0.13 0.00 -0.43 0.25 0.02 0.00 0.00 177.57 177.28 1l8c h LEU 47 N -0.96 -1.49 0.04 2.57 7.12 -0.54 0.16 115.31 122.21 1l8c h LEU 47 Ca -0.06 0.26 0.03 0.00 0.13 0.00 0.00 57.88 58.23 1l8c h LEU 47 Cb 0.82 0.70 -0.05 0.00 -0.53 0.00 0.00 40.66 41.59 1l8c h LEU 47 CO -0.00 -0.32 -0.44 -1.13 -0.13 0.00 0.00 178.44 176.41 1l8c h ASN 48 N -0.18 -1.33 -0.43 1.25 -1.24 -1.20 -2.42 115.58 110.03 1l8c h ASN 48 Ca 0.20 0.15 0.04 0.00 0.71 0.00 0.00 56.30 57.41 1l8c h ASN 48 Cb 0.56 0.51 -0.04 0.00 0.73 0.00 0.00 38.32 40.08 1l8c h ASN 48 CO -0.74 -0.48 0.19 -0.74 -1.29 0.00 0.00 177.43 174.37 1l8c h HIS 49 N -0.62 0.34 -0.81 0.67 2.76 -1.06 -2.96 115.15 113.47 1l8c h HIS 49 Ca 0.03 0.02 0.20 0.00 -2.20 0.00 0.00 60.37 58.42 1l8c h HIS 49 Cb 0.68 -0.09 -0.13 0.00 1.55 0.00 0.00 27.41 29.42 1l8c h HIS 49 CO -0.42 0.16 0.14 1.98 -1.30 0.00 0.00 177.93 178.49 1l8c h MET 50 N 0.38 0.18 -0.49 5.26 4.05 -0.27 0.10 114.93 124.14 1l8c h MET 50 Ca 0.19 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.57 1l8c h MET 50 Cb 0.13 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 30.87 1l8c h MET 50 CO -0.16 0.12 0.18 1.79 0.23 0.00 0.00 176.91 179.06 1l8c h THR 51 N 0.18 1.22 -0.21 -0.77 1.35 -1.28 -3.23 112.91 110.18 1l8c h THR 51 Ca 0.47 -0.71 -0.17 0.00 -0.55 0.00 0.00 66.41 65.46 1l8c h THR 51 Cb 0.89 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 1l8c h THR 51 CO -0.63 0.26 -0.52 0.45 -0.25 0.00 0.00 175.52 174.83 1l8c h HIS 52 N 0.66 0.92 -4.06 4.73 3.86 -1.26 -3.46 115.15 116.54 1l8c h HIS 52 Ca 0.16 -0.35 -0.55 0.00 -1.16 0.00 0.00 60.37 58.47 1l8c h HIS 52 Cb 0.23 -0.16 0.14 0.00 1.06 0.00 0.00 27.41 28.68 1l8c h HIS 52 CO 0.01 1.15 0.60 0.00 0.86 0.00 0.00 177.93 180.55 1l8c n GLN 54 N -1.16 -0.04 -0.00 0.00 6.02 -1.26 -4.93 117.38 116.02 1l8c n GLN 54 Ca 0.11 -0.18 -0.00 0.00 -0.01 0.00 0.00 57.00 56.92 1l8c n GLN 54 Cb 0.45 -0.65 -0.00 0.00 1.02 0.00 0.00 30.24 31.07 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 0.00 -0.09 -1.58 0.00 -1.97 -3.48 119.26 112.14 1l8c h ALA 55 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1l8c h ALA 55 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1l8c h ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1l8c n GLY 56 N 1.93 1.53 0.23 0.00 0.00 -1.26 -4.16 105.19 103.47 1l8c n GLY 56 Ca -0.00 0.07 -0.03 0.00 0.00 0.00 0.00 46.02 46.07 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 0.57 -0.01 1.61 1.79 -1.92 -3.22 116.57 115.38 1l8c h LYS 57 Ca 0.00 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1l8c h LYS 57 Cb 0.00 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.52 1l8c h LYS 57 CO 0.00 0.37 -0.49 0.00 -1.08 0.00 0.00 179.45 178.25 1l8c n ALA 58 N -2.35 3.57 -2.02 3.86 0.00 -1.26 -4.98 120.51 117.33 1l8c n ALA 58 Ca 0.07 -0.59 -0.42 0.00 0.00 0.00 0.00 53.44 52.49 1l8c n ALA 58 Cb 0.16 -0.70 -0.03 0.00 0.00 0.00 0.00 19.45 18.88 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 8.21 0.08 -6.24 0.00 4.20 -1.93 -3.42 115.11 116.01 1l8c h GLN 60 Ca -0.41 -0.02 -0.57 0.00 0.06 0.00 0.00 58.65 57.72 1l8c h GLN 60 Cb 1.19 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.95 1l8c h GLN 60 CO 0.92 0.24 1.23 0.08 -0.67 0.00 0.00 178.83 180.64 1l8c s VAL 61 N -4.69 3.44 0.16 -0.54 1.01 -1.26 -4.92 120.40 113.60 1l8c s VAL 61 Ca -0.04 0.49 -0.26 0.00 0.00 0.00 0.00 61.98 62.17 1l8c s VAL 61 Cb 0.16 -3.47 0.02 0.00 0.00 0.00 0.00 36.38 33.09 1l8c s VAL 61 CO 0.71 -0.22 1.58 0.00 0.00 0.00 0.00 175.10 177.17 1l8c h ALA 62 N 11.83 -0.35 -0.48 5.51 0.00 -2.00 -2.15 119.26 131.61 1l8c h ALA 62 Ca -0.37 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1l8c h ALA 62 Cb 1.18 0.86 -0.02 0.00 0.00 0.00 0.00 17.79 19.81 1l8c h ALA 62 CO 0.99 -0.83 0.27 0.45 0.00 0.00 0.00 179.25 180.13 1l8c h HIS 63 N -0.30 0.66 -0.13 0.00 3.86 -1.96 -1.78 115.15 115.50 1l8c h HIS 63 Ca 0.15 -0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.38 1l8c h HIS 63 Cb 0.57 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.80 1l8c h HIS 63 CO -0.61 0.49 -0.08 0.00 0.86 0.00 0.00 177.93 178.59 1l8c h ALA 65 N 1.04 -0.82 0.04 0.00 0.00 -1.32 -3.29 119.26 114.90 1l8c h ALA 65 Ca 0.08 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1l8c h ALA 65 Cb 0.19 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1l8c h ALA 65 CO -0.18 -1.00 -0.11 0.77 0.00 0.00 0.00 179.25 178.73 1l8c h SER 66 N -0.78 -0.32 -0.67 0.00 0.02 -1.13 -3.25 113.55 107.42 1l8c h SER 66 Ca -0.03 0.04 0.19 0.00 -0.84 0.00 0.00 61.79 61.16 1l8c h SER 66 Cb 0.70 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.34 1l8c h SER 66 CO -0.06 -0.17 0.48 0.77 -1.14 0.00 0.00 176.83 176.71 1l8c h SER 67 N -0.21 0.02 0.43 3.07 4.64 -1.00 -2.29 113.55 118.21 1l8c h SER 67 Ca 0.03 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.33 1l8c h SER 67 Cb 0.25 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1l8c h SER 67 CO -0.09 0.01 -0.22 0.03 -0.87 0.00 0.00 176.83 175.69 1l8c h ARG 68 N 0.02 -0.57 -0.40 4.77 3.08 -1.64 -3.19 114.38 116.46 1l8c h ARG 68 Ca 0.32 0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.48 1l8c h ARG 68 Cb 1.25 0.13 -0.06 0.00 0.08 0.00 0.00 29.97 31.37 1l8c h ARG 68 CO -0.01 -0.38 0.02 1.96 -1.07 0.00 0.00 179.97 180.49 1l8c h GLN 69 N -0.59 0.13 -0.68 0.04 7.50 -1.59 0.15 115.11 120.06 1l8c h GLN 69 Ca -0.06 -0.01 0.10 0.00 0.50 0.00 0.00 58.65 59.19 1l8c h GLN 69 Cb 0.46 -0.03 -0.08 0.00 0.05 0.00 0.00 27.48 27.89 1l8c h GLN 69 CO 0.09 0.08 0.30 -0.84 -1.50 0.00 0.00 178.83 176.96 1l8c h ILE 70 N 0.13 0.78 -0.12 2.54 3.07 -1.59 0.83 117.51 123.15 1l8c h ILE 70 Ca 0.19 -0.17 -0.18 0.00 1.55 0.00 0.00 64.86 66.25 1l8c h ILE 70 Cb 0.27 0.24 0.01 0.00 -0.27 0.00 0.00 36.82 37.06 1l8c h ILE 70 CO -0.31 0.09 -0.63 0.40 -1.05 0.00 0.00 178.15 176.66 1l8c h ILE 71 N 0.50 1.33 -0.21 0.16 1.08 -1.48 -2.43 117.51 116.45 1l8c h ILE 71 Ca 0.35 -1.90 0.06 0.00 -0.39 0.00 0.00 64.86 62.98 1l8c h ILE 71 Cb 0.42 2.11 -0.06 0.00 -3.07 0.00 0.00 36.82 36.23 1l8c h ILE 71 CO -0.31 0.58 -0.20 0.28 -0.69 0.00 0.00 178.15 177.82 1l8c h SER 72 N 0.30 -0.63 0.83 1.72 0.02 -0.45 -0.84 113.55 114.50 1l8c h SER 72 Ca -0.04 0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 1l8c h SER 72 Cb 1.27 0.30 0.00 0.00 0.14 0.00 0.00 62.40 64.11 1l8c h SER 72 CO 0.13 -0.24 -0.45 -0.74 -1.14 0.00 0.00 176.83 174.39 1l8c h HIS 73 N -0.21 -1.19 -0.71 3.45 -0.00 -0.92 -2.43 115.15 113.13 1l8c h HIS 73 Ca 0.13 -0.02 0.16 0.00 -0.00 0.00 0.00 60.37 60.63 1l8c h HIS 73 Cb 0.40 0.41 -0.11 0.00 -0.00 0.00 0.00 27.41 28.11 1l8c h HIS 73 CO -0.34 -0.70 0.11 2.35 -0.00 0.00 0.00 177.93 179.34 1l8c h TRP 74 N -1.18 0.14 -0.15 5.26 7.01 -1.20 0.90 115.95 126.74 1l8c h TRP 74 Ca -0.11 0.05 -0.02 0.00 2.11 0.00 0.00 58.89 60.92 1l8c h TRP 74 Cb 0.93 0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 28.03 1l8c h TRP 74 CO -0.03 -0.14 0.03 -0.22 -2.79 0.00 0.00 178.44 175.29 1l8c h LYS 75 N 0.20 0.25 -0.50 2.65 3.64 -1.18 -3.27 116.57 118.35 1l8c h LYS 75 Ca 0.40 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.61 1l8c h LYS 75 Cb 0.68 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 1l8c h LYS 75 CO -0.55 0.40 -0.10 -0.91 -2.27 0.00 0.00 179.45 176.03 1l8c h ASN 76 N 0.05 0.96 -2.77 4.20 2.35 -0.89 -3.46 115.58 116.01 1l8c h ASN 76 Ca 0.05 -0.35 -0.56 0.00 -0.55 0.00 0.00 56.30 54.89 1l8c h ASN 76 Cb 0.27 -0.26 0.07 0.00 0.05 0.00 0.00 38.32 38.45 1l8c h ASN 76 CO 0.00 1.09 0.81 0.00 -1.65 0.00 0.00 177.43 177.68 1l8c n THR 78 N 2.68 0.20 -1.66 0.00 -2.24 -1.26 -4.98 114.28 107.02 1l8c n THR 78 Ca 0.13 -0.31 -0.42 0.00 -2.27 0.00 0.00 64.05 61.17 1l8c n THR 78 Cb 0.33 1.21 -0.03 0.00 -2.10 0.00 0.00 70.33 69.74 1l8c n THR 78 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1l8c n ARG 79 N -0.10 2.86 0.00 -0.78 0.63 -1.26 -4.88 116.66 113.14 1l8c n ARG 79 Ca 0.00 1.05 0.06 0.00 -0.92 0.00 0.00 57.85 58.04 1l8c n ARG 79 Cb 0.26 -3.00 0.32 0.00 0.45 0.00 0.00 32.46 30.49 1l8c n ARG 79 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1l8c n HIS 80 N 7.38 0.00 -2.15 -0.14 8.25 -1.26 -3.22 115.22 124.07 1l8c n HIS 80 Ca 0.20 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.67 1l8c n HIS 80 Cb 0.40 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.37 1l8c n HIS 80 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1l8c n ASP 81 N -1.14 0.23 -4.76 0.41 5.75 -1.26 -4.93 116.55 110.85 1l8c n ASP 81 Ca 0.07 -1.87 -0.41 0.00 -0.01 0.00 0.00 54.79 52.57 1l8c n ASP 81 Cb 0.07 -0.17 -0.01 0.00 -1.03 0.00 0.00 41.12 39.98 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 4.38 0.00 0.00 0.00 0.13 -1.99 -2.90 132.00 131.61 1l8c h PRO 83 Ca -0.48 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.60 1l8c h PRO 83 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1l8c h PRO 83 CO 0.75 0.00 -1.16 0.28 -0.23 0.00 0.00 178.00 177.63 1l8c n VAL 84 N -3.21 0.20 -0.08 1.56 0.31 -1.26 -4.74 118.33 111.11 1l8c n VAL 84 Ca -0.01 -0.04 -0.07 0.00 -0.01 0.00 0.00 64.34 64.21 1l8c n VAL 84 Cb 0.25 -1.55 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 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 0.13 -1.07 -0.89 0.00 7.12 -1.76 -0.37 115.31 118.47 1l8c h LEU 86 Ca 0.14 0.10 0.04 0.00 0.13 0.00 0.00 57.88 58.29 1l8c h LEU 86 Cb 0.17 0.37 -0.06 0.00 -0.53 0.00 0.00 40.66 40.62 1l8c h LEU 86 CO -0.21 -0.44 0.57 1.55 -0.13 0.00 0.00 178.44 179.78 1l8c h PRO 87 N -0.63 1.05 -0.60 5.25 0.13 -1.69 -0.18 132.00 135.33 1l8c h PRO 87 Ca -0.03 -0.06 0.02 0.00 -0.87 0.00 0.00 66.00 65.06 1l8c h PRO 87 Cb 0.58 -0.24 -0.04 0.00 0.13 0.00 0.00 31.00 31.44 1l8c h PRO 87 CO -0.12 0.70 0.38 -0.07 -0.23 0.00 0.00 178.00 178.65 1l8c h LEU 88 N 1.08 0.62 0.59 1.56 3.38 -1.37 -3.06 115.31 118.12 1l8c h LEU 88 Ca 0.37 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.31 1l8c h LEU 88 Cb 0.06 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.68 1l8c h LEU 88 CO -0.14 0.44 -0.28 0.50 0.09 0.00 0.00 178.44 179.05 1l8c h LYS 89 N 0.75 -0.77 -2.94 1.13 3.64 -0.58 -3.45 116.57 114.35 1l8c h LYS 89 Ca 0.24 0.05 -0.22 0.00 -1.27 0.00 0.00 60.65 59.45 1l8c h LYS 89 Cb -0.01 0.17 -0.32 0.00 -0.41 0.00 0.00 32.23 31.67 1l8c h LYS 89 CO -0.09 -0.46 -0.53 1.21 -2.27 0.00 0.00 179.45 177.31 1l8c s ASN 90 N -4.60 0.23 -0.12 4.20 2.47 -0.12 -5.10 114.94 111.90 1l8c s ASN 90 Ca -0.16 0.54 -0.02 0.00 0.42 0.00 0.00 52.86 53.64 1l8c s ASN 90 Cb 0.02 0.56 0.04 0.00 -1.45 0.00 0.00 41.25 40.43 1l8c s ASN 90 CO 0.54 -0.22 0.02 0.00 -3.72 0.00 0.00 177.10 173.72 1l8c s ALA 91 N 2.08 0.74 0.90 1.71 0.00 -1.16 -4.01 121.76 122.02 1l8c s ALA 91 Ca -0.02 -0.30 -0.11 0.00 0.00 0.00 0.00 51.96 51.54 1l8c s ALA 91 Cb -0.12 -0.90 0.13 0.00 0.00 0.00 0.00 23.12 22.24 1l8c s ALA 91 CO -0.08 -0.75 1.12 -1.12 0.00 0.00 0.00 175.76 174.93 1l8c s SER 92 N 1.96 3.18 -0.16 0.00 0.01 -1.26 -4.90 113.70 112.53 1l8c s SER 92 Ca 0.03 1.98 -0.28 0.00 1.31 0.00 0.00 55.95 58.98 1l8c s SER 92 Cb -0.14 -2.50 -0.06 0.00 0.21 0.00 0.00 66.02 63.53 1l8c s SER 92 CO -0.06 -2.90 2.16 -0.62 0.41 0.00 0.00 173.24 172.23 1l8c s ASP 93 N -2.90 5.68 0.03 2.44 2.15 -1.26 -4.96 116.67 117.85 1l8c s ASP 93 Ca 0.65 2.07 -0.03 0.00 0.43 0.00 0.00 52.55 55.67 1l8c s ASP 93 Cb -0.21 -2.51 -0.02 0.00 -0.30 0.00 0.00 42.92 39.87 1l8c s ASP 93 CO 0.58 -1.76 0.03 -0.54 -0.17 0.00 0.00 175.17 173.31 1l8c s LYS 94 N 5.93 0.49 0.00 4.34 1.02 -1.26 -5.37 119.74 124.88 1l8c s LYS 94 Ca 0.98 -0.77 0.00 0.00 0.02 0.00 0.00 55.97 56.20 1l8c s LYS 94 Cb -0.35 0.18 0.00 0.00 -0.52 0.00 0.00 37.83 37.14 1l8c s LYS 94 CO 0.37 -0.10 0.15 0.54 -0.92 0.00 0.00 175.35 175.38