#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 -0.06 0.16 0.00 -1.08 -1.26 -5.09 116.67 109.34 1l8c s ASP 2 Ca 0.00 0.19 -0.15 0.00 -0.52 0.00 0.00 52.55 52.07 1l8c s ASP 2 Cb 0.00 0.13 0.04 0.00 -1.46 0.00 0.00 42.92 41.63 1l8c s ASP 2 CO 0.00 -0.09 1.78 1.55 0.52 0.00 0.00 175.17 178.93 1l8c h PRO 3 N 6.73 0.65 -0.67 4.34 0.13 -2.06 -1.68 132.00 139.44 1l8c h PRO 3 Ca -0.36 -0.06 -0.07 0.00 -0.87 0.00 0.00 66.00 64.64 1l8c h PRO 3 Cb 1.16 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 32.13 1l8c h PRO 3 CO 0.45 0.49 0.16 0.93 -0.23 0.00 0.00 178.00 179.79 1l8c h GLU 4 N 0.63 1.07 -0.67 0.86 3.07 -1.99 -1.23 114.58 116.33 1l8c h GLU 4 Ca 0.17 -0.26 0.04 0.00 -0.50 0.00 0.00 59.36 58.81 1l8c h GLU 4 Cb 0.01 -0.14 -0.04 0.00 -0.84 0.00 0.00 28.75 27.74 1l8c h GLU 4 CO -0.03 0.96 0.44 0.87 -1.40 0.00 0.00 179.01 179.85 1l8c h LYS 5 N 0.99 0.77 -0.32 2.33 1.57 -1.96 -0.87 116.57 119.08 1l8c h LYS 5 Ca 0.21 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 1l8c h LYS 5 Cb 0.37 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1l8c h LYS 5 CO 0.00 0.51 0.14 -0.09 -0.57 0.00 0.00 179.45 179.44 1l8c h ARG 6 N 0.79 0.47 -0.33 3.15 1.12 -0.54 -1.02 114.38 118.02 1l8c h ARG 6 Ca 0.27 -0.08 0.05 0.00 -1.11 0.00 0.00 59.98 59.11 1l8c h ARG 6 Cb 0.09 -0.08 -0.04 0.00 -0.01 0.00 0.00 29.97 29.92 1l8c h ARG 6 CO -0.08 0.46 0.06 0.87 -3.11 0.00 0.00 179.97 178.18 1l8c h LYS 7 N 0.38 0.17 -0.64 0.20 1.57 -0.53 -0.73 116.57 116.99 1l8c h LYS 7 Ca 0.11 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.93 1l8c h LYS 7 Cb 0.15 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.38 1l8c h LYS 7 CO -0.01 0.11 0.36 -0.07 -0.57 0.00 0.00 179.45 179.28 1l8c h LEU 8 N 0.18 0.56 -0.08 2.94 3.38 -0.99 -0.89 115.31 120.40 1l8c h LEU 8 Ca 0.16 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1l8c h LEU 8 Cb 0.17 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1l8c h LEU 8 CO -0.21 0.37 0.05 0.40 0.09 0.00 0.00 178.44 179.14 1l8c h ILE 9 N 0.69 1.01 -0.29 1.22 2.04 -0.68 -1.12 117.51 120.37 1l8c h ILE 9 Ca 0.28 -0.03 0.07 0.00 1.00 0.00 0.00 64.86 66.17 1l8c h ILE 9 Cb 0.13 0.90 -0.07 0.00 -0.74 0.00 0.00 36.82 37.03 1l8c h ILE 9 CO -0.15 0.02 -0.20 1.56 0.00 0.00 0.00 178.15 179.37 1l8c h GLN 10 N 0.10 -0.17 0.24 2.37 4.20 -0.64 -0.56 115.11 120.64 1l8c h GLN 10 Ca 0.03 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.76 1l8c h GLN 10 Cb -0.00 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.77 1l8c h GLN 10 CO -0.02 -0.11 -0.51 0.37 -0.67 0.00 0.00 178.83 177.90 1l8c h GLN 11 N -0.18 -0.79 -0.92 1.46 4.15 -1.02 -2.07 115.11 115.75 1l8c h GLN 11 Ca 0.16 0.05 0.06 0.00 0.77 0.00 0.00 58.65 59.69 1l8c h GLN 11 Cb 0.41 0.18 -0.06 0.00 0.21 0.00 0.00 27.48 28.23 1l8c h GLN 11 CO -0.40 -0.53 0.60 1.96 -1.93 0.00 0.00 178.83 178.53 1l8c h GLN 12 N -0.82 1.03 0.27 1.69 1.08 -0.95 -0.19 115.11 117.23 1l8c h GLN 12 Ca -0.02 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1l8c h GLN 12 Cb 0.79 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 27.96 1l8c h GLN 12 CO -0.21 0.68 -0.29 1.25 -0.95 0.00 0.00 178.83 179.30 1l8c h LEU 13 N 1.06 -0.80 0.02 1.46 6.46 -0.87 -0.48 115.31 122.17 1l8c h LEU 13 Ca 0.39 0.07 0.02 0.00 -0.12 0.00 0.00 57.88 58.24 1l8c h LEU 13 Cb 0.17 0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.35 1l8c h LEU 13 CO -0.14 -0.42 -0.11 0.58 -0.62 0.00 0.00 178.44 177.72 1l8c h VAL 14 N -0.61 0.72 -0.45 1.05 2.07 -0.99 -2.13 116.25 115.91 1l8c h VAL 14 Ca -0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1l8c h VAL 14 Cb 0.57 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 1l8c h VAL 14 CO -0.07 0.00 0.17 -0.07 0.02 0.00 0.00 177.57 177.61 1l8c h LEU 15 N -0.20 0.18 -0.32 2.57 3.38 -0.91 -0.97 115.31 119.04 1l8c h LEU 15 Ca 0.04 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1l8c h LEU 15 Cb 0.25 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1l8c h LEU 15 CO -0.10 0.14 0.18 0.25 0.09 0.00 0.00 178.44 179.00 1l8c h LEU 16 N 0.34 0.39 0.33 1.67 5.85 -0.96 0.13 115.31 123.07 1l8c h LEU 16 Ca 0.21 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1l8c h LEU 16 Cb 0.19 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 1l8c h LEU 16 CO -0.20 0.35 -0.18 -0.07 -0.34 0.00 0.00 178.44 178.00 1l8c h LEU 17 N 0.40 -0.43 -0.22 2.25 3.38 -1.23 -3.04 115.31 116.42 1l8c h LEU 17 Ca 0.11 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.15 1l8c h LEU 17 Cb 0.04 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 1l8c h LEU 17 CO -0.02 -0.29 -0.10 -0.74 0.09 0.00 0.00 178.44 177.38 1l8c h HIS 18 N -0.47 -0.23 -0.62 1.13 2.76 -1.10 -2.90 115.15 113.72 1l8c h HIS 18 Ca -0.04 0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.22 1l8c h HIS 18 Cb 0.38 0.14 -0.09 0.00 1.55 0.00 0.00 27.41 29.38 1l8c h HIS 18 CO -0.07 -0.15 -0.56 0.00 -1.30 0.00 0.00 177.93 175.85 1l8c h ALA 19 N 1.12 -0.69 -0.66 5.26 0.00 -0.62 0.29 119.26 123.97 1l8c h ALA 19 Ca 0.12 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1l8c h ALA 19 Cb 0.24 1.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 1l8c h ALA 19 CO -0.26 -1.01 0.38 1.25 0.00 0.00 0.00 179.25 179.61 1l8c h HIS 20 N -0.24 0.90 -0.71 0.00 6.17 -1.55 -1.61 115.15 118.10 1l8c h HIS 20 Ca 0.10 -0.01 0.06 0.00 0.71 0.00 0.00 60.37 61.23 1l8c h HIS 20 Cb 0.51 -0.29 -0.06 0.00 2.52 0.00 0.00 27.41 30.10 1l8c h HIS 20 CO -0.84 0.63 0.41 -0.22 0.71 0.00 0.00 177.93 178.62 1l8c h LYS 21 N 0.90 0.74 -0.13 5.26 1.63 -1.09 -2.52 116.57 121.36 1l8c h LYS 21 Ca 0.24 -0.04 -0.08 0.00 -0.85 0.00 0.00 60.65 59.91 1l8c h LYS 21 Cb 0.02 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.47 1l8c h LYS 21 CO -0.04 0.49 -0.29 0.00 -3.45 0.00 0.00 179.45 176.16 1l8c h GLN 23 N 0.21 0.21 -0.27 0.00 4.20 -0.83 0.28 115.11 118.91 1l8c h GLN 23 Ca 0.03 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1l8c h GLN 23 Cb 0.62 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 1l8c h GLN 23 CO 0.04 0.14 0.18 -0.09 -0.67 0.00 0.00 178.83 178.43 1l8c h ARG 24 N 0.22 0.35 0.39 1.46 2.43 -1.58 -1.94 114.38 115.70 1l8c h ARG 24 Ca 0.25 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 1l8c h ARG 24 Cb 0.35 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1l8c h ARG 24 CO -0.34 0.23 -0.44 -0.09 -1.51 0.00 0.00 179.97 177.82 1l8c h ARG 25 N 0.36 -0.81 -0.53 0.20 2.43 -1.27 -2.04 114.38 112.72 1l8c h ARG 25 Ca 0.10 0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1l8c h ARG 25 Cb -0.04 0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 1l8c h ARG 25 CO -0.02 -0.54 0.35 1.05 -1.51 0.00 0.00 179.97 179.30 1l8c h GLU 26 N -0.84 0.70 -0.31 0.20 4.11 -0.99 -1.11 114.58 116.34 1l8c h GLU 26 Ca -0.05 -0.04 -0.06 0.00 0.07 0.00 0.00 59.36 59.28 1l8c h GLU 26 Cb 0.74 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1l8c h GLU 26 CO -0.08 0.46 -0.05 -0.56 0.07 0.00 0.00 179.01 178.85 1l8c h GLN 27 N 0.72 0.50 0.26 1.06 -0.00 -1.36 -2.79 115.11 113.50 1l8c h GLN 27 Ca 0.20 -0.12 -0.01 0.00 -0.00 0.00 0.00 58.65 58.71 1l8c h GLN 27 Cb -0.08 -0.07 0.00 0.00 -0.00 0.00 0.00 27.48 27.33 1l8c h GLN 27 CO -0.04 0.57 -0.12 0.00 -0.00 0.00 0.00 178.83 179.23 1l8c h ALA 28 N 1.47 -0.34 -2.43 0.06 0.00 -1.14 -3.45 119.26 113.43 1l8c h ALA 28 Ca 0.10 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 1l8c h ALA 28 Cb 0.39 0.13 -0.30 0.00 0.00 0.00 0.00 17.79 18.01 1l8c h ALA 28 CO 0.02 -0.46 -0.48 1.21 0.00 0.00 0.00 179.25 179.54 1l8c s ASN 29 N -5.22 0.24 0.00 0.00 3.84 -0.44 -5.11 114.94 108.25 1l8c s ASN 29 Ca -0.13 0.52 0.00 0.00 0.21 0.00 0.00 52.86 53.46 1l8c s ASN 29 Cb 0.01 0.99 0.00 0.00 -0.55 0.00 0.00 41.25 41.71 1l8c s ASN 29 CO 0.51 -0.26 0.00 0.61 -2.79 0.00 0.00 177.10 175.16 1l8c n GLY 30 N 5.36 -1.13 0.08 1.21 0.00 -1.06 -4.13 105.19 105.52 1l8c n GLY 30 Ca -0.06 -0.96 -0.01 0.00 0.00 0.00 0.00 46.02 44.99 1l8c n GLY 30 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1l8c n GLU 31 N -0.01 1.59 -0.33 1.61 4.71 -1.26 -4.98 120.64 121.98 1l8c n GLU 31 Ca 0.00 -0.08 0.12 0.00 -0.01 0.00 0.00 57.16 57.19 1l8c n GLU 31 Cb 0.00 0.03 0.30 0.00 -1.01 0.00 0.00 31.44 30.76 1l8c n GLU 31 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1l8c h VAL 32 N 1.01 0.67 -2.24 2.62 2.07 -2.03 -3.06 116.25 115.28 1l8c h VAL 32 Ca -0.01 -0.23 -0.58 0.00 0.82 0.00 0.00 66.70 66.70 1l8c h VAL 32 Cb 0.03 -0.06 -0.40 0.00 -1.52 0.00 0.00 31.29 29.34 1l8c h VAL 32 CO 0.01 0.12 -0.88 -1.14 0.02 0.00 0.00 177.57 175.70 1l8c n ARG 33 N -4.84 1.25 0.28 1.57 3.00 -1.26 -5.01 116.66 111.66 1l8c n ARG 33 Ca 0.22 -3.76 -0.17 0.00 -0.00 0.00 0.00 57.85 54.14 1l8c n ARG 33 Cb 0.56 -1.71 -0.08 0.00 0.00 0.00 0.00 32.46 31.23 1l8c n ARG 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1l8c h ALA 34 N 4.50 -0.89 -2.62 5.13 0.00 -1.91 -3.44 119.26 120.03 1l8c h ALA 34 Ca 0.15 -0.16 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 1l8c h ALA 34 Cb 0.81 0.51 0.05 0.00 0.00 0.00 0.00 17.79 19.16 1l8c h ALA 34 CO 0.58 -1.03 0.46 0.00 0.00 0.00 0.00 179.25 179.26 1l8c h SER 36 N 2.25 0.94 -2.87 0.00 0.02 -2.06 -3.43 113.55 108.40 1l8c h SER 36 Ca -0.49 -0.36 -0.57 0.00 -0.84 0.00 0.00 61.79 59.54 1l8c h SER 36 Cb 1.23 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 63.48 1l8c h SER 36 CO 0.61 1.07 0.93 -0.76 -1.14 0.00 0.00 176.83 177.54 1l8c s LEU 37 N -9.23 4.20 0.32 5.07 1.02 -1.26 -4.93 118.68 113.88 1l8c s LEU 37 Ca -0.12 1.77 0.05 0.00 0.02 0.00 0.00 54.13 55.85 1l8c s LEU 37 Cb 0.12 -3.54 0.56 0.00 0.02 0.00 0.00 46.19 43.35 1l8c s LEU 37 CO 0.85 -0.78 1.80 1.55 0.02 0.00 0.00 176.35 179.78 1l8c h PRO 38 N 8.38 0.38 0.00 1.29 0.13 -2.01 -2.89 132.00 137.28 1l8c h PRO 38 Ca -0.28 -0.12 -0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1l8c h PRO 38 Cb 1.11 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 1l8c h PRO 38 CO 0.97 0.57 -0.01 0.45 -0.23 0.00 0.00 178.00 179.74 1l8c h HIS 39 N 0.35 0.00 -0.45 1.56 3.86 -1.98 -2.65 115.15 115.85 1l8c h HIS 39 Ca 0.06 0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.35 1l8c h HIS 39 Cb 0.54 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.95 1l8c h HIS 39 CO 0.01 0.01 0.06 0.00 0.86 0.00 0.00 177.93 178.88 1l8c h ARG 41 N 0.19 0.97 0.26 0.00 2.43 -1.66 -0.31 114.38 116.26 1l8c h ARG 41 Ca 0.22 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1l8c h ARG 41 Cb 0.30 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1l8c h ARG 41 CO -0.32 0.64 -0.12 1.15 -1.51 0.00 0.00 179.97 179.81 1l8c h THR 42 N 1.00 0.78 -0.94 0.20 2.02 -1.38 -0.93 112.91 113.66 1l8c h THR 42 Ca 0.37 -0.24 0.07 0.00 0.77 0.00 0.00 66.41 67.38 1l8c h THR 42 Cb 0.18 0.92 -0.06 0.00 -1.74 0.00 0.00 68.15 67.44 1l8c h THR 42 CO -0.13 0.05 0.61 0.24 0.37 0.00 0.00 175.52 176.66 1l8c h MET 43 N -0.47 1.03 -0.51 6.66 2.86 -0.92 -0.74 114.93 122.83 1l8c h MET 43 Ca -0.04 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1l8c h MET 43 Cb 0.36 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 1l8c h MET 43 CO 0.06 0.68 0.26 0.87 1.06 0.00 0.00 176.91 179.84 1l8c h LYS 44 N 1.07 0.73 -0.09 1.72 1.57 -0.87 0.10 116.57 120.80 1l8c h LYS 44 Ca 0.41 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1l8c h LYS 44 Cb 0.21 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 1l8c h LYS 44 CO -0.16 0.59 0.06 -0.91 -0.57 0.00 0.00 179.45 178.46 1l8c h ASN 45 N 0.68 0.11 -0.03 0.86 2.35 -0.63 -1.14 115.58 117.78 1l8c h ASN 45 Ca 0.18 -0.04 0.04 0.00 -0.55 0.00 0.00 56.30 55.92 1l8c h ASN 45 Cb 0.09 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.38 1l8c h ASN 45 CO -0.03 0.12 -0.28 0.58 -1.65 0.00 0.00 177.43 176.18 1l8c h VAL 46 N 0.10 0.38 -0.19 2.81 2.07 -0.98 -1.97 116.25 118.46 1l8c h VAL 46 Ca 0.03 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.61 1l8c h VAL 46 Cb 0.03 0.38 -0.07 0.00 -1.52 0.00 0.00 31.29 30.10 1l8c h VAL 46 CO -0.01 0.00 -0.34 0.25 0.02 0.00 0.00 177.57 177.49 1l8c h LEU 47 N -0.40 -1.08 -0.78 2.57 7.12 -0.68 0.11 115.31 122.17 1l8c h LEU 47 Ca 0.07 0.16 0.09 0.00 0.13 0.00 0.00 57.88 58.33 1l8c h LEU 47 Cb 0.50 0.46 -0.07 0.00 -0.53 0.00 0.00 40.66 41.03 1l8c h LEU 47 CO -0.26 -0.36 0.43 -1.13 -0.13 0.00 0.00 178.44 176.99 1l8c h ASN 48 N -0.38 0.60 -0.09 1.25 -1.24 -1.05 -2.46 115.58 112.21 1l8c h ASN 48 Ca 0.11 0.05 -0.02 0.00 0.71 0.00 0.00 56.30 57.15 1l8c h ASN 48 Cb 0.56 -0.06 -0.00 0.00 0.73 0.00 0.00 38.32 39.55 1l8c h ASN 48 CO -0.40 0.34 -0.04 -0.74 -1.29 0.00 0.00 177.43 175.30 1l8c h HIS 49 N 0.72 0.21 -0.85 0.67 2.76 -0.92 -3.35 115.15 114.39 1l8c h HIS 49 Ca 0.38 -0.05 0.19 0.00 -2.20 0.00 0.00 60.37 58.68 1l8c h HIS 49 Cb 0.36 -0.05 -0.16 0.00 1.55 0.00 0.00 27.41 29.11 1l8c h HIS 49 CO -0.08 0.53 -0.12 1.98 -1.30 0.00 0.00 177.93 178.94 1l8c h MET 50 N -0.18 0.03 -0.12 5.26 4.05 -0.32 0.14 114.93 123.79 1l8c h MET 50 Ca 0.02 -0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.44 1l8c h MET 50 Cb 0.47 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.26 1l8c h MET 50 CO 0.01 0.02 0.07 1.79 0.23 0.00 0.00 176.91 179.03 1l8c h THR 51 N 0.03 1.07 0.04 -0.77 1.35 -1.64 -3.29 112.91 109.70 1l8c h THR 51 Ca 0.44 -0.18 -0.00 0.00 -0.55 0.00 0.00 66.41 66.12 1l8c h THR 51 Cb 0.74 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 1l8c h THR 51 CO -0.83 0.06 -0.02 0.45 -0.25 0.00 0.00 175.52 174.93 1l8c h HIS 52 N 0.11 -0.05 -2.87 4.73 3.86 -1.55 -3.45 115.15 115.93 1l8c h HIS 52 Ca 0.04 -0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.69 1l8c h HIS 52 Cb 0.04 0.02 0.08 0.00 1.06 0.00 0.00 27.41 28.61 1l8c h HIS 52 CO -0.05 0.41 0.73 0.00 0.86 0.00 0.00 177.93 179.88 1l8c n GLN 54 N 2.21 3.13 -0.04 0.00 1.13 -1.26 -4.77 117.38 117.79 1l8c n GLN 54 Ca 0.11 -0.31 -0.14 0.00 -1.94 0.00 0.00 57.00 54.72 1l8c n GLN 54 Cb 0.33 -0.83 -0.08 0.00 0.11 0.00 0.00 30.24 29.77 1l8c n GLN 54 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1l8c h ALA 55 N 0.53 0.16 -0.91 -1.58 0.00 -1.97 -3.48 119.26 112.01 1l8c h ALA 55 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1l8c h ALA 55 Cb 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1l8c h ALA 55 CO 0.00 0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.74 1l8c n GLY 56 N 0.40 0.32 0.36 0.00 0.00 -1.26 -2.21 105.19 102.79 1l8c n GLY 56 Ca -0.07 0.67 0.03 0.00 0.00 0.00 0.00 46.02 46.65 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 1.05 0.00 1.61 1.79 -1.93 -2.61 116.57 116.48 1l8c h LYS 57 Ca 0.00 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1l8c h LYS 57 Cb 0.00 -0.24 0.00 0.00 -1.58 0.00 0.00 32.23 30.41 1l8c h LYS 57 CO 0.00 0.69 0.00 0.00 -1.08 0.00 0.00 179.45 179.06 1l8c h ALA 58 N 1.46 1.00 -2.72 3.86 0.00 -1.84 -3.46 119.26 117.56 1l8c h ALA 58 Ca 0.43 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.82 1l8c h ALA 58 Cb 0.25 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.08 1l8c h ALA 58 CO -0.20 0.00 0.70 0.00 0.00 0.00 0.00 179.25 179.75 1l8c h GLN 60 N 5.12 0.58 -6.42 0.00 4.20 -1.89 -3.44 115.11 113.26 1l8c h GLN 60 Ca -0.45 -0.14 -0.54 0.00 0.06 0.00 0.00 58.65 57.58 1l8c h GLN 60 Cb 1.22 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 28.94 1l8c h GLN 60 CO 0.77 0.62 0.98 0.08 -0.67 0.00 0.00 178.83 180.61 1l8c s VAL 61 N -4.92 3.21 0.06 -0.54 1.01 -1.26 -4.96 120.40 113.00 1l8c s VAL 61 Ca -0.08 0.61 -0.29 0.00 0.00 0.00 0.00 61.98 62.22 1l8c s VAL 61 Cb 0.15 -3.39 -0.15 0.00 0.00 0.00 0.00 36.38 32.99 1l8c s VAL 61 CO 0.78 -0.01 1.45 0.00 0.00 0.00 0.00 175.10 177.32 1l8c h ALA 62 N 8.39 -1.17 -1.06 5.51 0.00 -1.99 -3.21 119.26 125.74 1l8c h ALA 62 Ca -0.41 -0.19 0.29 0.00 0.00 0.00 0.00 54.91 54.59 1l8c h ALA 62 Cb 1.20 0.55 -0.11 0.00 0.00 0.00 0.00 17.79 19.43 1l8c h ALA 62 CO 0.93 -1.15 0.67 0.45 0.00 0.00 0.00 179.25 180.14 1l8c h HIS 63 N -0.93 0.74 -0.31 0.00 3.86 -1.98 -2.08 115.15 114.46 1l8c h HIS 63 Ca -0.08 0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.21 1l8c h HIS 63 Cb 0.76 -0.21 -0.05 0.00 1.06 0.00 0.00 27.41 28.98 1l8c h HIS 63 CO -0.11 0.01 0.02 0.00 0.86 0.00 0.00 177.93 178.71 1l8c h ALA 65 N 1.26 0.08 0.29 0.00 0.00 -1.48 -3.25 119.26 116.15 1l8c h ALA 65 Ca 0.15 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1l8c h ALA 65 Cb 0.19 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1l8c h ALA 65 CO -0.23 -0.22 -0.50 0.77 0.00 0.00 0.00 179.25 179.07 1l8c h SER 66 N -0.23 -1.46 -0.88 0.00 0.02 -1.27 -3.02 113.55 106.70 1l8c h SER 66 Ca 0.01 0.14 0.18 0.00 -0.84 0.00 0.00 61.79 61.28 1l8c h SER 66 Cb 0.40 0.51 -0.11 0.00 0.14 0.00 0.00 62.40 63.34 1l8c h SER 66 CO 0.01 -0.59 0.44 0.77 -1.14 0.00 0.00 176.83 176.32 1l8c h SER 67 N -0.85 0.49 -0.00 3.07 4.64 -1.15 -1.45 113.55 118.30 1l8c h SER 67 Ca -0.03 0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1l8c h SER 67 Cb 0.79 0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1l8c h SER 67 CO -0.18 0.15 0.00 0.03 -0.87 0.00 0.00 176.83 175.96 1l8c h ARG 68 N 0.56 0.00 0.02 4.77 3.08 -1.58 -3.04 114.38 118.20 1l8c h ARG 68 Ca 0.51 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.59 1l8c h ARG 68 Cb 0.83 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.83 1l8c h ARG 68 CO -0.42 0.09 -0.27 0.37 -1.07 0.00 0.00 179.97 178.67 1l8c h GLN 69 N -0.09 -0.41 -0.90 0.04 -0.00 -1.17 -1.46 115.11 111.12 1l8c h GLN 69 Ca 0.00 0.03 0.09 0.00 -0.00 0.00 0.00 58.65 58.77 1l8c h GLN 69 Cb 0.09 0.09 -0.07 0.00 0.00 0.00 0.00 27.48 27.59 1l8c h GLN 69 CO -0.00 -0.27 0.55 -0.84 0.00 0.00 0.00 178.83 178.26 1l8c h ILE 70 N -0.43 0.95 -0.33 2.39 3.07 -1.39 -1.56 117.51 120.22 1l8c h ILE 70 Ca 0.06 -0.32 -0.14 0.00 1.55 0.00 0.00 64.86 66.01 1l8c h ILE 70 Cb 0.50 -0.05 -0.01 0.00 -0.27 0.00 0.00 36.82 37.00 1l8c h ILE 70 CO -0.22 0.17 -0.34 0.40 -1.05 0.00 0.00 178.15 177.10 1l8c h ILE 71 N 0.92 1.29 -0.59 0.16 1.08 -1.39 -2.39 117.51 116.60 1l8c h ILE 71 Ca 0.43 -1.51 0.11 0.00 -0.39 0.00 0.00 64.86 63.50 1l8c h ILE 71 Cb 0.35 1.49 -0.09 0.00 -3.07 0.00 0.00 36.82 35.50 1l8c h ILE 71 CO -0.23 0.49 0.10 0.28 -0.69 0.00 0.00 178.15 178.11 1l8c h SER 72 N 0.60 -0.04 0.28 1.72 0.02 -0.79 -1.25 113.55 114.09 1l8c h SER 72 Ca 0.05 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1l8c h SER 72 Cb 0.92 0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 1l8c h SER 72 CO 0.08 -0.01 -0.21 -0.74 -1.14 0.00 0.00 176.83 174.82 1l8c h HIS 73 N 0.23 -0.57 -0.83 3.45 -0.00 -1.17 -2.35 115.15 113.92 1l8c h HIS 73 Ca 0.31 -0.00 0.16 0.00 -0.00 0.00 0.00 60.37 60.83 1l8c h HIS 73 Cb 0.46 0.21 -0.10 0.00 -0.00 0.00 0.00 27.41 27.98 1l8c h HIS 73 CO -0.26 -0.30 0.39 2.35 -0.00 0.00 0.00 177.93 180.11 1l8c h TRP 74 N -0.47 0.67 0.21 5.26 7.01 -1.19 0.12 115.95 127.56 1l8c h TRP 74 Ca -0.04 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 60.99 1l8c h TRP 74 Cb 0.39 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 27.28 1l8c h TRP 74 CO -0.06 0.11 -0.10 -0.22 -2.79 0.00 0.00 178.44 175.38 1l8c h LYS 75 N 0.53 -0.27 -0.14 2.65 3.64 -1.25 -3.30 116.57 118.44 1l8c h LYS 75 Ca 0.46 0.02 -0.22 0.00 -1.27 0.00 0.00 60.65 59.64 1l8c h LYS 75 Cb 0.70 0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.60 1l8c h LYS 75 CO -0.40 -0.14 -0.79 -0.91 -2.27 0.00 0.00 179.45 174.95 1l8c h ASN 76 N -0.34 0.94 -2.11 4.20 4.21 -1.02 -3.46 115.58 118.00 1l8c h ASN 76 Ca -0.03 -0.64 -0.60 0.00 1.21 0.00 0.00 56.30 56.24 1l8c h ASN 76 Cb 0.26 -0.28 0.03 0.00 -1.12 0.00 0.00 38.32 37.21 1l8c h ASN 76 CO 0.05 1.42 0.99 0.00 -1.29 0.00 0.00 177.43 178.61 1l8c n THR 78 N 4.55 1.05 -2.02 0.00 5.66 -1.26 -4.94 114.28 117.32 1l8c n THR 78 Ca 0.21 -1.16 -0.42 0.00 -3.05 0.00 0.00 64.05 59.62 1l8c n THR 78 Cb 0.29 0.35 -0.03 0.00 -1.55 0.00 0.00 70.33 69.39 1l8c n THR 78 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1l8c s ARG 79 N -1.35 4.21 0.00 1.09 3.52 -1.26 -4.92 118.95 120.24 1l8c s ARG 79 Ca 0.10 2.19 0.13 0.00 -0.13 0.00 0.00 55.73 58.02 1l8c s ARG 79 Cb 0.08 -3.78 0.79 0.00 -1.56 0.00 0.00 34.95 30.48 1l8c s ARG 79 CO 0.01 -0.76 1.22 0.72 -0.81 0.00 0.00 175.30 175.68 1l8c n HIS 80 N 6.30 0.00 -2.00 5.12 8.25 -1.26 -3.51 115.22 128.12 1l8c n HIS 80 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 1l8c n HIS 80 Cb 0.42 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.53 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 -0.92 0.00 -4.76 0.41 5.75 -1.26 -4.92 116.55 110.85 1l8c n ASP 81 Ca 0.10 -1.64 -0.41 0.00 -0.01 0.00 0.00 54.79 52.82 1l8c n ASP 81 Cb 0.05 -0.13 -0.01 0.00 -1.03 0.00 0.00 41.12 40.00 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 4.11 0.03 0.00 0.00 0.13 -2.00 -2.59 132.00 131.68 1l8c h PRO 83 Ca -0.48 -0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.38 1l8c h PRO 83 Cb 1.23 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 1l8c h PRO 83 CO 0.73 0.02 -1.81 0.28 -0.23 0.00 0.00 178.00 176.99 1l8c n VAL 84 N -4.38 1.10 0.03 1.56 0.31 -1.26 -4.66 118.33 111.03 1l8c n VAL 84 Ca 0.10 -0.18 -0.10 0.00 -0.01 0.00 0.00 64.34 64.15 1l8c n VAL 84 Cb 0.62 -1.82 -0.04 0.00 -0.91 0.00 0.00 33.84 31.69 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 -0.26 -1.41 -0.81 0.00 7.12 -1.71 0.35 115.31 118.59 1l8c h LEU 86 Ca 0.07 0.14 0.07 0.00 0.13 0.00 0.00 57.88 58.30 1l8c h LEU 86 Cb 0.37 0.51 -0.06 0.00 -0.53 0.00 0.00 40.66 40.95 1l8c h LEU 86 CO -0.21 -0.52 0.49 1.55 -0.13 0.00 0.00 178.44 179.62 1l8c h PRO 87 N -0.71 0.85 -0.13 5.25 0.13 -1.78 -0.33 132.00 135.27 1l8c h PRO 87 Ca -0.01 -0.05 0.03 0.00 -0.87 0.00 0.00 66.00 65.10 1l8c h PRO 87 Cb 0.70 -0.19 -0.03 0.00 0.13 0.00 0.00 31.00 31.61 1l8c h PRO 87 CO -0.23 0.56 -0.05 -0.07 -0.23 0.00 0.00 178.00 177.98 1l8c h LEU 88 N 0.87 -0.18 0.05 1.56 3.38 -1.20 -0.64 115.31 119.15 1l8c h LEU 88 Ca 0.36 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.38 1l8c h LEU 88 Cb 0.21 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1l8c h LEU 88 CO -0.19 -0.07 -0.02 0.11 0.09 0.00 0.00 178.44 178.35 1l8c h LYS 89 N -0.03 -0.06 -0.78 1.13 1.57 -0.56 -3.24 116.57 114.59 1l8c h LYS 89 Ca 0.07 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1l8c h LYS 89 Cb 0.14 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 1l8c h LYS 89 CO -0.16 -0.00 0.38 -0.97 -0.57 0.00 0.00 179.45 178.13 1l8c h ASN 90 N -0.10 1.02 -1.92 0.86 -1.24 -0.96 -3.43 115.58 109.80 1l8c h ASN 90 Ca -0.01 -0.13 -0.60 0.00 0.71 0.00 0.00 56.30 56.28 1l8c h ASN 90 Cb 0.09 -0.26 -0.00 0.00 0.73 0.00 0.00 38.32 38.88 1l8c h ASN 90 CO 0.01 0.86 1.49 0.00 -1.29 0.00 0.00 177.43 178.50 1l8c n ALA 91 N -2.39 1.73 -3.72 1.57 0.00 -0.26 -4.97 120.51 112.47 1l8c n ALA 91 Ca 0.07 -0.23 -0.27 0.00 0.00 0.00 0.00 53.44 53.01 1l8c n ALA 91 Cb 0.13 -2.89 -0.17 0.00 0.00 0.00 0.00 19.45 16.52 1l8c n ALA 91 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1l8c s SER 92 N 8.21 2.73 -0.13 0.00 0.01 -1.26 -4.99 113.70 118.27 1l8c s SER 92 Ca 1.01 -0.74 -0.11 0.00 1.31 0.00 0.00 55.95 57.43 1l8c s SER 92 Cb -0.38 -0.54 0.04 0.00 0.21 0.00 0.00 66.02 65.35 1l8c s SER 92 CO 0.36 -0.30 0.34 -0.62 0.41 0.00 0.00 173.24 173.43 1l8c s ASP 93 N 1.90 -0.36 -0.22 2.44 2.15 -1.26 -5.15 116.67 116.16 1l8c s ASP 93 Ca -0.00 0.69 -0.01 0.00 0.43 0.00 0.00 52.55 53.66 1l8c s ASP 93 Cb -0.17 0.67 0.06 0.00 -0.30 0.00 0.00 42.92 43.19 1l8c s ASP 93 CO -0.08 -0.13 0.01 -0.54 -0.17 0.00 0.00 175.17 174.26 1l8c s LYS 94 N 0.44 1.00 0.00 4.34 -0.14 -1.26 -5.33 119.74 118.80 1l8c s LYS 94 Ca -0.02 -0.71 0.11 0.00 -1.36 0.00 0.00 55.97 53.99 1l8c s LYS 94 Cb -0.04 -2.28 0.66 0.00 -1.68 0.00 0.00 37.83 34.49 1l8c s LYS 94 CO -0.02 -0.67 1.10 0.54 -0.76 0.00 0.00 175.35 175.54