#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 -0.16 0.26 0.00 -1.08 -1.26 -5.08 116.67 109.36 1l8c s ASP 2 Ca 0.00 0.32 -0.05 0.00 -0.52 0.00 0.00 52.55 52.31 1l8c s ASP 2 Cb 0.00 0.31 0.32 0.00 -1.46 0.00 0.00 42.92 42.09 1l8c s ASP 2 CO 0.00 -0.07 1.93 1.55 0.52 0.00 0.00 175.17 179.10 1l8c h PRO 3 N 6.10 1.22 -0.18 4.34 0.13 -2.06 -2.17 132.00 139.38 1l8c h PRO 3 Ca -0.28 -0.09 -0.12 0.00 -0.87 0.00 0.00 66.00 64.65 1l8c h PRO 3 Cb 1.19 -0.27 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 1l8c h PRO 3 CO 0.41 0.83 -0.39 0.93 -0.23 0.00 0.00 178.00 179.56 1l8c h GLU 4 N 1.25 0.41 -0.79 0.86 5.08 -1.99 -1.48 114.58 117.92 1l8c h GLU 4 Ca 0.33 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1l8c h GLU 4 Cb -0.10 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 1l8c h GLU 4 CO -0.07 0.73 0.47 0.87 -1.00 0.00 0.00 179.01 180.02 1l8c h LYS 5 N 0.34 1.07 -0.62 2.33 1.57 -1.89 -1.09 116.57 118.28 1l8c h LYS 5 Ca 0.03 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1l8c h LYS 5 Cb 0.83 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.88 1l8c h LYS 5 CO 0.07 0.76 0.39 0.00 -0.57 0.00 0.00 179.45 180.10 1l8c h ARG 6 N 1.08 0.76 -0.35 3.15 3.08 -0.95 0.16 114.38 121.31 1l8c h ARG 6 Ca 0.28 -0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.35 1l8c h ARG 6 Cb -0.03 -0.17 -0.06 0.00 0.08 0.00 0.00 29.97 29.79 1l8c h ARG 6 CO -0.05 0.50 -0.03 0.87 -1.07 0.00 0.00 179.97 180.19 1l8c h LYS 7 N 0.79 0.06 -0.73 0.04 6.56 -0.73 -0.28 116.57 122.27 1l8c h LYS 7 Ca 0.24 -0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.83 1l8c h LYS 7 Cb -0.02 -0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 31.59 1l8c h LYS 7 CO -0.09 0.04 0.45 -0.07 -2.06 0.00 0.00 179.45 177.72 1l8c h LEU 8 N 0.06 0.87 -0.32 2.94 3.38 -0.80 -2.77 115.31 118.66 1l8c h LEU 8 Ca 0.17 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1l8c h LEU 8 Cb 0.25 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1l8c h LEU 8 CO -0.31 0.67 0.20 0.40 0.09 0.00 0.00 178.44 179.49 1l8c h ILE 9 N 0.99 1.10 -0.09 1.22 2.04 -0.45 -2.75 117.51 119.58 1l8c h ILE 9 Ca 0.26 -0.21 0.04 0.00 1.00 0.00 0.00 64.86 65.95 1l8c h ILE 9 Cb -0.05 0.66 -0.06 0.00 -0.74 0.00 0.00 36.82 36.63 1l8c h ILE 9 CO -0.05 0.10 -0.39 1.56 0.00 0.00 0.00 178.15 179.37 1l8c h GLN 10 N 0.43 -0.47 -0.50 2.37 4.20 -0.79 -0.32 115.11 120.03 1l8c h GLN 10 Ca 0.12 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1l8c h GLN 10 Cb -0.02 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 1l8c h GLN 10 CO -0.02 -0.31 0.33 -0.56 -0.67 0.00 0.00 178.83 177.59 1l8c h GLN 11 N -0.49 0.67 -0.58 1.46 -0.00 -1.53 -2.30 115.11 112.33 1l8c h GLN 11 Ca 0.07 -0.05 0.07 0.00 -0.00 0.00 0.00 58.65 58.75 1l8c h GLN 11 Cb 0.61 -0.15 -0.06 0.00 -0.00 0.00 0.00 27.48 27.88 1l8c h GLN 11 CO -0.36 0.46 0.25 1.96 -0.00 0.00 0.00 178.83 181.14 1l8c h GLN 12 N 0.68 0.46 0.29 0.06 1.08 -1.16 0.62 115.11 117.14 1l8c h GLN 12 Ca 0.18 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 1l8c h GLN 12 Cb -0.06 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.25 1l8c h GLN 12 CO -0.04 0.30 -0.29 1.25 -0.95 0.00 0.00 178.83 179.10 1l8c h LEU 13 N 0.47 -0.79 0.12 1.46 6.46 -0.80 -1.09 115.31 121.14 1l8c h LEU 13 Ca 0.28 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 58.10 1l8c h LEU 13 Cb 0.28 0.27 0.00 0.00 -0.73 0.00 0.00 40.66 40.48 1l8c h LEU 13 CO -0.24 -0.42 -0.06 0.58 -0.62 0.00 0.00 178.44 177.68 1l8c h VAL 14 N -0.62 0.90 -0.42 1.05 2.07 -1.16 -2.33 116.25 115.74 1l8c h VAL 14 Ca -0.01 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.51 1l8c h VAL 14 Cb 0.56 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 1l8c h VAL 14 CO -0.06 0.01 0.15 -0.07 0.02 0.00 0.00 177.57 177.62 1l8c h LEU 15 N -0.19 0.16 -0.16 2.57 3.38 -0.83 -0.78 115.31 119.46 1l8c h LEU 15 Ca -0.02 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1l8c h LEU 15 Cb 0.14 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1l8c h LEU 15 CO 0.03 0.13 0.07 0.25 0.09 0.00 0.00 178.44 179.00 1l8c h LEU 16 N 0.32 0.09 0.10 1.67 5.85 -1.13 0.22 115.31 122.43 1l8c h LEU 16 Ca 0.19 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.94 1l8c h LEU 16 Cb 0.18 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1l8c h LEU 16 CO -0.20 0.08 -0.20 -0.07 -0.34 0.00 0.00 178.44 177.71 1l8c h LEU 17 N 0.15 -0.55 -0.28 2.25 3.38 -1.21 -2.94 115.31 116.11 1l8c h LEU 17 Ca 0.07 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.16 1l8c h LEU 17 Cb 0.03 0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 1l8c h LEU 17 CO -0.06 -0.28 -0.07 -0.74 0.09 0.00 0.00 178.44 177.38 1l8c h HIS 18 N -0.38 -0.14 -0.85 1.13 2.76 -0.97 -2.71 115.15 113.99 1l8c h HIS 18 Ca 0.03 0.02 0.21 0.00 -2.20 0.00 0.00 60.37 58.43 1l8c h HIS 18 Cb 0.40 0.11 -0.15 0.00 1.55 0.00 0.00 27.41 29.31 1l8c h HIS 18 CO -0.19 -0.12 0.02 0.00 -1.30 0.00 0.00 177.93 176.34 1l8c h ALA 19 N 1.28 0.94 -0.10 5.26 0.00 -0.76 0.27 119.26 126.15 1l8c h ALA 19 Ca 0.13 0.28 -0.07 0.00 0.00 0.00 0.00 54.91 55.25 1l8c h ALA 19 Cb 0.20 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1l8c h ALA 19 CO -0.29 -0.47 -0.21 1.25 0.00 0.00 0.00 179.25 179.54 1l8c h HIS 20 N 0.08 0.40 -0.93 0.00 6.17 -1.54 -3.28 115.15 116.06 1l8c h HIS 20 Ca 0.48 -0.15 0.14 0.00 0.71 0.00 0.00 60.37 61.56 1l8c h HIS 20 Cb 0.91 -0.07 -0.09 0.00 2.52 0.00 0.00 27.41 30.68 1l8c h HIS 20 CO -0.45 0.82 0.54 -0.22 0.71 0.00 0.00 177.93 179.34 1l8c h LYS 21 N -0.13 0.78 -0.57 5.26 3.64 -0.84 -2.41 116.57 122.29 1l8c h LYS 21 Ca 0.00 -0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.43 1l8c h LYS 21 Cb 0.80 -0.17 -0.07 0.00 -0.41 0.00 0.00 32.23 32.37 1l8c h LYS 21 CO 0.05 0.51 0.16 0.00 -2.27 0.00 0.00 179.45 177.90 1l8c h GLN 23 N 0.32 -0.12 0.09 0.00 4.20 -1.50 0.16 115.11 118.26 1l8c h GLN 23 Ca 0.29 0.01 0.01 0.00 0.06 0.00 0.00 58.65 59.02 1l8c h GLN 23 Cb 0.39 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 1l8c h GLN 23 CO -0.34 -0.08 -0.14 -0.09 -0.67 0.00 0.00 178.83 177.51 1l8c h ARG 24 N -0.13 -0.27 -0.31 1.46 2.43 -1.46 -1.61 114.38 114.49 1l8c h ARG 24 Ca 0.09 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.34 1l8c h ARG 24 Cb 0.26 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.82 1l8c h ARG 24 CO -0.22 -0.18 -0.03 -0.09 -1.51 0.00 0.00 179.97 177.94 1l8c h ARG 25 N -0.28 0.05 -0.03 0.20 1.12 -0.87 -0.87 114.38 113.71 1l8c h ARG 25 Ca 0.02 -0.00 0.02 0.00 -1.11 0.00 0.00 59.98 58.91 1l8c h ARG 25 Cb 0.29 -0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 30.21 1l8c h ARG 25 CO -0.07 0.03 -0.10 1.49 -3.11 0.00 0.00 179.97 178.21 1l8c h GLU 26 N 0.05 -0.15 -0.64 0.20 4.81 -0.59 0.25 114.58 118.51 1l8c h GLU 26 Ca 0.15 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.40 1l8c h GLU 26 Cb 0.21 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 1l8c h GLU 26 CO -0.28 -0.10 0.42 1.96 -0.73 0.00 0.00 179.01 180.28 1l8c h GLN 27 N -0.16 0.82 0.30 1.92 1.08 -1.06 -2.82 115.11 115.19 1l8c h GLN 27 Ca 0.05 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 1l8c h GLN 27 Cb 0.22 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 1l8c h GLN 27 CO -0.12 0.54 -0.15 0.00 -0.95 0.00 0.00 178.83 178.15 1l8c h ALA 28 N 1.25 -0.41 -2.46 3.87 0.00 -0.94 -3.44 119.26 117.13 1l8c h ALA 28 Ca 0.24 -0.13 -0.26 0.00 0.00 0.00 0.00 54.91 54.76 1l8c h ALA 28 Cb -0.07 0.16 -0.34 0.00 0.00 0.00 0.00 17.79 17.54 1l8c h ALA 28 CO -0.07 -0.66 -0.57 1.21 0.00 0.00 0.00 179.25 179.16 1l8c s ASN 29 N -4.94 0.90 -0.30 0.00 2.47 0.06 -5.10 114.94 108.02 1l8c s ASN 29 Ca -0.15 0.06 -0.25 0.00 0.42 0.00 0.00 52.86 52.94 1l8c s ASN 29 Cb 0.04 0.61 0.19 0.00 -1.45 0.00 0.00 41.25 40.65 1l8c s ASN 29 CO 0.61 -0.30 1.46 -0.83 -3.72 0.00 0.00 177.10 174.32 1l8c s GLY 30 N 2.40 0.38 0.00 1.21 0.00 -1.07 -4.19 107.32 106.05 1l8c s GLY 30 Ca 0.07 3.56 0.00 0.00 0.00 0.00 0.00 44.72 48.35 1l8c s GLY 30 CO -0.12 1.94 0.00 -2.21 0.00 0.00 0.00 173.10 172.71 1l8c n GLU 31 N 1.55 0.00 -0.03 2.90 4.07 -1.26 -4.96 120.64 122.91 1l8c n GLU 31 Ca -0.10 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.87 1l8c n GLU 31 Cb 0.57 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.86 1l8c n GLU 31 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1l8c h VAL 32 N 0.00 1.39 -3.67 6.31 2.07 -2.03 -3.47 116.25 116.86 1l8c h VAL 32 Ca 0.00 -1.25 -0.10 0.00 0.82 0.00 0.00 66.70 66.17 1l8c h VAL 32 Cb 0.00 2.10 -0.16 0.00 -1.52 0.00 0.00 31.29 31.71 1l8c h VAL 32 CO 0.00 0.34 -0.39 -0.60 0.02 0.00 0.00 177.57 176.94 1l8c s ARG 33 N -4.20 0.74 0.15 1.57 3.52 -1.26 -5.10 118.95 114.36 1l8c s ARG 33 Ca -0.15 -0.76 0.00 0.00 -0.13 0.00 0.00 55.73 54.69 1l8c s ARG 33 Cb 0.03 0.30 0.00 0.00 -1.56 0.00 0.00 34.95 33.72 1l8c s ARG 33 CO 0.71 -0.22 0.00 0.00 -0.81 0.00 0.00 175.30 174.97 1l8c n ALA 34 N 0.41 3.00 -1.92 6.12 0.00 -1.26 -4.76 120.51 122.10 1l8c n ALA 34 Ca -0.17 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 52.99 1l8c n ALA 34 Cb 0.60 0.06 0.09 0.00 0.00 0.00 0.00 19.45 20.20 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 -3.22 1.64 -4.72 0.00 7.64 -1.26 -5.08 113.62 108.61 1l8c n SER 36 Ca 0.09 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.55 1l8c n SER 36 Cb 0.61 0.16 -0.03 0.00 -1.01 0.00 0.00 64.21 63.93 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 -2.09 4.37 -0.00 -3.43 1.43 -1.26 -4.97 118.68 112.73 1l8c s LEU 37 Ca 0.00 2.53 -0.25 0.00 -1.03 0.00 0.00 54.13 55.38 1l8c s LEU 37 Cb 0.00 -3.59 -0.18 0.00 0.03 0.00 0.00 46.19 42.45 1l8c s LEU 37 CO 0.00 -0.76 1.24 1.55 0.23 0.00 0.00 176.35 178.61 1l8c h PRO 38 N 6.71 -0.19 0.00 1.29 0.13 -2.05 -3.25 132.00 134.63 1l8c h PRO 38 Ca -0.43 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1l8c h PRO 38 Cb 1.21 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1l8c h PRO 38 CO 0.89 0.18 0.00 0.72 -0.23 0.00 0.00 178.00 179.56 1l8c n HIS 39 N -5.00 0.00 -0.08 1.56 8.25 -1.26 -3.83 115.22 114.86 1l8c n HIS 39 Ca -0.09 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.31 1l8c n HIS 39 Cb 0.24 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.35 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 -0.04 0.35 -0.08 0.00 1.12 -1.82 0.24 114.38 114.15 1l8c h ARG 41 Ca 0.15 -0.02 0.04 0.00 -1.11 0.00 0.00 59.98 59.04 1l8c h ARG 41 Cb 0.28 -0.08 -0.04 0.00 -0.01 0.00 0.00 29.97 30.11 1l8c h ARG 41 CO -0.34 0.23 -0.18 1.15 -3.11 0.00 0.00 179.97 177.73 1l8c h THR 42 N 0.36 0.56 -0.63 0.20 2.02 -1.59 -1.53 112.91 112.31 1l8c h THR 42 Ca 0.26 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.42 1l8c h THR 42 Cb 0.30 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 1l8c h THR 42 CO -0.27 0.00 0.31 0.24 0.37 0.00 0.00 175.52 176.17 1l8c h MET 43 N -0.24 0.87 -0.90 6.66 2.86 -0.60 -2.51 114.93 121.08 1l8c h MET 43 Ca 0.08 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1l8c h MET 43 Cb 0.36 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 1l8c h MET 43 CO -0.22 0.67 0.56 0.87 1.06 0.00 0.00 176.91 179.85 1l8c h LYS 44 N 0.88 1.21 -0.14 1.72 1.57 -0.36 0.12 116.57 121.57 1l8c h LYS 44 Ca 0.22 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.92 1l8c h LYS 44 Cb 0.07 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 1l8c h LYS 44 CO -0.03 0.83 0.03 -0.91 -0.57 0.00 0.00 179.45 178.80 1l8c h ASN 45 N 1.23 0.02 -0.21 0.86 2.35 -0.91 -1.98 115.58 116.94 1l8c h ASN 45 Ca 0.33 0.02 0.03 0.00 -0.55 0.00 0.00 56.30 56.12 1l8c h ASN 45 Cb -0.09 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 1l8c h ASN 45 CO -0.06 0.03 0.04 0.58 -1.65 0.00 0.00 177.43 176.37 1l8c h VAL 46 N 0.10 0.90 -0.34 2.81 2.07 -1.07 -2.31 116.25 118.41 1l8c h VAL 46 Ca 0.06 -0.04 0.07 0.00 0.82 0.00 0.00 66.70 67.61 1l8c h VAL 46 Cb 0.05 0.77 -0.08 0.00 -1.52 0.00 0.00 31.29 30.51 1l8c h VAL 46 CO -0.08 0.02 -0.17 0.25 0.02 0.00 0.00 177.57 177.61 1l8c h LEU 47 N 0.12 -0.59 -0.58 2.57 7.12 -0.58 -0.14 115.31 123.24 1l8c h LEU 47 Ca 0.10 0.13 0.05 0.00 0.13 0.00 0.00 57.88 58.29 1l8c h LEU 47 Cb 0.10 0.32 -0.05 0.00 -0.53 0.00 0.00 40.66 40.50 1l8c h LEU 47 CO -0.13 -0.21 0.31 -1.13 -0.13 0.00 0.00 178.44 177.15 1l8c h ASN 48 N -0.12 0.46 0.18 1.25 -1.24 -1.21 -3.03 115.58 111.86 1l8c h ASN 48 Ca 0.17 0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.20 1l8c h ASN 48 Cb 0.39 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.37 1l8c h ASN 48 CO -0.41 0.31 -0.09 -0.74 -1.29 0.00 0.00 177.43 175.21 1l8c h HIS 49 N 0.60 -0.22 -0.89 0.67 2.76 -0.82 -3.31 115.15 113.94 1l8c h HIS 49 Ca 0.25 -0.01 0.17 0.00 -2.20 0.00 0.00 60.37 58.59 1l8c h HIS 49 Cb 0.14 0.07 -0.16 0.00 1.55 0.00 0.00 27.41 29.00 1l8c h HIS 49 CO -0.09 0.04 -0.26 0.52 -1.30 0.00 0.00 177.93 176.84 1l8c h MET 50 N -0.47 -0.01 -0.36 5.26 2.86 -0.93 0.03 114.93 121.31 1l8c h MET 50 Ca -0.02 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1l8c h MET 50 Cb 0.36 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 1l8c h MET 50 CO 0.04 -0.01 0.19 1.79 1.06 0.00 0.00 176.91 179.99 1l8c h THR 51 N -0.01 1.14 -0.05 2.22 1.35 -1.65 -3.16 112.91 112.75 1l8c h THR 51 Ca 0.40 -0.37 -0.16 0.00 -0.55 0.00 0.00 66.41 65.73 1l8c h THR 51 Cb 0.64 0.74 -0.01 0.00 -1.73 0.00 0.00 68.15 67.79 1l8c h THR 51 CO -0.92 0.15 -0.69 0.45 -0.25 0.00 0.00 175.52 174.26 1l8c h HIS 52 N 0.45 0.31 -3.83 4.73 3.86 -1.47 -3.46 115.15 115.74 1l8c h HIS 52 Ca 0.12 -0.13 -0.55 0.00 -1.16 0.00 0.00 60.37 58.65 1l8c h HIS 52 Cb 0.06 -0.05 0.12 0.00 1.06 0.00 0.00 27.41 28.60 1l8c h HIS 52 CO -0.03 0.84 0.69 0.00 0.86 0.00 0.00 177.93 180.29 1l8c n GLN 54 N 0.16 2.70 -0.05 0.00 6.02 -1.26 -4.84 117.38 120.11 1l8c n GLN 54 Ca 0.04 -0.01 -0.06 0.00 -0.01 0.00 0.00 57.00 56.96 1l8c n GLN 54 Cb 0.40 -0.23 0.14 0.00 1.02 0.00 0.00 30.24 31.57 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 0.98 -0.90 -1.58 0.00 -1.96 -3.48 119.26 112.32 1l8c h ALA 55 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1l8c h ALA 55 Cb 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1l8c h ALA 55 CO 0.00 0.60 0.00 0.41 0.00 0.00 0.00 179.25 180.26 1l8c n GLY 56 N -0.33 1.26 0.36 0.00 0.00 -1.26 -2.32 105.19 102.90 1l8c n GLY 56 Ca 0.00 0.36 0.01 0.00 0.00 0.00 0.00 46.02 46.40 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 1.08 0.00 1.61 1.79 -1.98 -2.77 116.57 116.30 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 0.71 0.00 0.00 -1.08 0.00 0.00 179.45 179.08 1l8c h ALA 58 N 1.48 1.00 -2.25 3.86 0.00 -1.86 -3.45 119.26 118.04 1l8c h ALA 58 Ca 0.35 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.71 1l8c h ALA 58 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1l8c h ALA 58 CO -0.10 0.00 1.20 0.00 0.00 0.00 0.00 179.25 180.35 1l8c h GLN 60 N 10.72 0.00 -6.26 0.00 1.08 -1.90 -3.44 115.11 115.31 1l8c h GLN 60 Ca -0.43 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.21 1l8c h GLN 60 Cb 1.21 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.63 1l8c h GLN 60 CO 0.95 0.12 1.14 0.08 -0.95 0.00 0.00 178.83 180.18 1l8c s VAL 61 N -3.63 3.55 0.15 -0.54 1.01 -1.26 -4.93 120.40 114.74 1l8c s VAL 61 Ca 0.01 0.64 -0.27 0.00 0.00 0.00 0.00 61.98 62.37 1l8c s VAL 61 Cb 0.09 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 1l8c s VAL 61 CO 0.60 -0.13 1.58 0.00 0.00 0.00 0.00 175.10 177.15 1l8c h ALA 62 N 10.36 -0.43 -0.17 5.51 0.00 -2.01 -2.68 119.26 129.85 1l8c h ALA 62 Ca -0.38 0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.62 1l8c h ALA 62 Cb 1.18 0.80 -0.05 0.00 0.00 0.00 0.00 17.79 19.72 1l8c h ALA 62 CO 0.97 -0.85 -0.13 0.45 0.00 0.00 0.00 179.25 179.68 1l8c h HIS 63 N -0.37 -0.34 0.34 0.00 3.86 -1.98 -1.70 115.15 114.96 1l8c h HIS 63 Ca 0.12 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.35 1l8c h HIS 63 Cb 0.59 0.17 -0.03 0.00 1.06 0.00 0.00 27.41 29.20 1l8c h HIS 63 CO -0.55 -0.20 -0.39 0.00 0.86 0.00 0.00 177.93 177.65 1l8c h ALA 65 N -0.36 0.80 0.53 0.00 0.00 -1.43 -2.29 119.26 116.51 1l8c h ALA 65 Ca -0.02 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1l8c h ALA 65 Cb 0.71 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.56 1l8c h ALA 65 CO -0.10 -0.19 -0.25 0.77 0.00 0.00 0.00 179.25 179.48 1l8c h SER 66 N 0.41 -0.60 -0.65 0.00 0.02 -1.12 -3.18 113.55 108.44 1l8c h SER 66 Ca 0.31 -0.06 0.12 0.00 -0.84 0.00 0.00 61.79 61.32 1l8c h SER 66 Cb 0.39 0.15 -0.09 0.00 0.14 0.00 0.00 62.40 63.00 1l8c h SER 66 CO -0.31 -0.23 0.20 0.77 -1.14 0.00 0.00 176.83 176.11 1l8c h SER 67 N -1.02 0.14 -0.68 3.07 4.64 -0.71 -1.04 113.55 117.94 1l8c h SER 67 Ca -0.07 0.10 0.04 0.00 -0.47 0.00 0.00 61.79 61.39 1l8c h SER 67 Cb 0.62 0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 62.78 1l8c h SER 67 CO 0.12 0.07 0.41 0.03 -0.87 0.00 0.00 176.83 176.59 1l8c h ARG 68 N 0.35 0.78 0.64 4.77 3.08 -1.53 -2.73 114.38 119.74 1l8c h ARG 68 Ca 0.34 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.31 1l8c h ARG 68 Cb 0.49 -0.18 0.01 0.00 0.08 0.00 0.00 29.97 30.37 1l8c h ARG 68 CO -0.38 0.52 -0.31 0.37 -1.07 0.00 0.00 179.97 179.10 1l8c h GLN 69 N 0.80 -0.83 -0.66 0.04 -0.00 -1.22 -1.16 115.11 112.08 1l8c h GLN 69 Ca 0.28 0.06 0.11 0.00 -0.00 0.00 0.00 58.65 59.10 1l8c h GLN 69 Cb 0.05 0.19 -0.08 0.00 0.00 0.00 0.00 27.48 27.64 1l8c h GLN 69 CO -0.12 -0.54 0.23 -0.84 0.00 0.00 0.00 178.83 177.56 1l8c h ILE 70 N -0.89 0.70 -0.41 2.39 3.07 -1.18 -0.90 117.51 120.28 1l8c h ILE 70 Ca -0.09 -0.13 -0.12 0.00 1.55 0.00 0.00 64.86 66.07 1l8c h ILE 70 Cb 0.67 0.28 -0.01 0.00 -0.27 0.00 0.00 36.82 37.49 1l8c h ILE 70 CO 0.14 0.07 -0.23 0.40 -1.05 0.00 0.00 178.15 177.49 1l8c h ILE 71 N 0.39 1.27 -0.11 0.16 1.08 -1.50 -1.81 117.51 117.00 1l8c h ILE 71 Ca 0.35 -1.36 0.04 0.00 -0.39 0.00 0.00 64.86 63.50 1l8c h ILE 71 Cb 0.48 1.20 -0.05 0.00 -3.07 0.00 0.00 36.82 35.38 1l8c h ILE 71 CO -0.36 0.46 -0.21 0.28 -0.69 0.00 0.00 178.15 177.63 1l8c h SER 72 N 0.72 -0.63 0.76 1.72 0.02 -0.12 -0.25 113.55 115.78 1l8c h SER 72 Ca 0.10 0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 1l8c h SER 72 Cb 0.76 0.28 -0.00 0.00 0.14 0.00 0.00 62.40 63.58 1l8c h SER 72 CO 0.06 -0.26 -0.48 -0.74 -1.14 0.00 0.00 176.83 174.28 1l8c h HIS 73 N -0.27 -1.27 -0.79 3.45 -0.00 -1.11 -1.72 115.15 113.43 1l8c h HIS 73 Ca 0.09 -0.01 0.13 0.00 -0.00 0.00 0.00 60.37 60.58 1l8c h HIS 73 Cb 0.41 0.46 -0.09 0.00 -0.00 0.00 0.00 27.41 28.19 1l8c h HIS 73 CO -0.30 -0.71 0.38 2.35 -0.00 0.00 0.00 177.93 179.65 1l8c h TRP 74 N -1.16 0.67 -0.41 5.26 7.01 -1.18 0.11 115.95 126.25 1l8c h TRP 74 Ca -0.10 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 60.90 1l8c h TRP 74 Cb 0.93 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 27.80 1l8c h TRP 74 CO -0.10 0.17 0.15 -0.22 -2.79 0.00 0.00 178.44 175.65 1l8c h LYS 75 N 0.58 0.62 -0.38 2.65 1.63 -1.04 -3.20 116.57 117.44 1l8c h LYS 75 Ca 0.42 -0.12 -0.06 0.00 -0.85 0.00 0.00 60.65 60.04 1l8c h LYS 75 Cb 0.55 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.07 1l8c h LYS 75 CO -0.34 0.59 0.01 -0.91 -3.45 0.00 0.00 179.45 175.35 1l8c h ASN 76 N 0.52 0.65 -2.01 4.20 2.35 -0.52 -3.46 115.58 117.32 1l8c h ASN 76 Ca 0.13 -0.30 -0.61 0.00 -0.55 0.00 0.00 56.30 54.97 1l8c h ASN 76 Cb 0.22 -0.17 0.01 0.00 0.05 0.00 0.00 38.32 38.43 1l8c h ASN 76 CO -0.01 0.79 1.16 0.00 -1.65 0.00 0.00 177.43 177.72 1l8c n THR 78 N 5.49 0.71 -1.75 0.00 -2.24 -1.26 -4.99 114.28 110.24 1l8c n THR 78 Ca 0.24 -0.74 -0.40 0.00 -2.27 0.00 0.00 64.05 60.88 1l8c n THR 78 Cb 0.31 0.59 0.03 0.00 -2.10 0.00 0.00 70.33 69.16 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 -0.40 2.05 -0.13 -0.78 0.63 -1.26 -4.95 116.66 111.82 1l8c n ARG 79 Ca 0.01 0.74 -0.04 0.00 -0.92 0.00 0.00 57.85 57.64 1l8c n ARG 79 Cb 0.39 -2.59 0.02 0.00 0.45 0.00 0.00 32.46 30.73 1l8c n ARG 79 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1l8c h HIS 80 N 2.00 -0.19 -2.89 -0.14 3.86 -2.05 -3.42 115.15 112.33 1l8c h HIS 80 Ca -0.51 0.04 -0.18 0.00 -1.16 0.00 0.00 60.37 58.56 1l8c h HIS 80 Cb 1.28 0.15 -0.30 0.00 1.06 0.00 0.00 27.41 29.61 1l8c h HIS 80 CO 0.48 -0.17 -0.45 0.16 0.86 0.00 0.00 177.93 178.81 1l8c s ASP 81 N -5.22 -0.17 0.02 2.45 -4.77 -1.26 -4.95 116.67 102.77 1l8c s ASP 81 Ca -0.14 0.64 0.04 0.00 -3.30 0.00 0.00 52.55 49.79 1l8c s ASP 81 Cb 0.15 0.60 -0.02 0.00 -1.09 0.00 0.00 42.92 42.56 1l8c s ASP 81 CO 0.71 -0.19 -0.13 0.00 0.70 0.00 0.00 175.17 176.25 1l8c n PRO 83 N 2.23 0.03 0.00 0.00 -0.04 -1.26 -3.08 135.00 132.89 1l8c n PRO 83 Ca -0.16 0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1l8c n PRO 83 Cb 0.55 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.34 0.00 0.29 0.52 0.31 -1.26 -4.92 118.33 111.93 1l8c n VAL 84 Ca 0.01 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.18 1l8c n VAL 84 Cb 0.03 -0.34 -0.08 0.00 -0.91 0.00 0.00 33.84 32.53 1l8c n VAL 84 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1l8c n LEU 86 N -5.45 -0.82 -0.30 0.00 -0.00 -1.18 -0.33 117.00 108.92 1l8c n LEU 86 Ca -0.12 1.50 0.07 0.00 -0.00 0.00 0.00 56.01 57.46 1l8c n LEU 86 Cb 0.35 -0.24 0.28 0.00 -0.00 0.00 0.00 43.42 43.81 1l8c n LEU 86 CO 0.34 -1.18 1.24 1.55 -0.00 0.00 0.00 177.39 179.34 1l8c h PRO 87 N 0.00 0.89 0.09 1.96 0.13 -1.80 0.08 132.00 133.35 1l8c h PRO 87 Ca 0.12 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1l8c h PRO 87 Cb 0.32 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 31.25 1l8c h PRO 87 CO -0.72 0.59 -0.04 -0.07 -0.23 0.00 0.00 178.00 177.52 1l8c h LEU 88 N 0.92 -0.11 -0.29 1.56 3.38 -1.41 -2.98 115.31 116.39 1l8c h LEU 88 Ca 0.42 -0.48 0.06 0.00 0.09 0.00 0.00 57.88 57.97 1l8c h LEU 88 Cb 0.39 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 1l8c h LEU 88 CO -0.18 0.50 -0.10 0.50 0.09 0.00 0.00 178.44 179.24 1l8c h LYS 89 N -0.79 -0.05 -2.83 1.13 3.64 -0.52 -3.33 116.57 113.82 1l8c h LYS 89 Ca -0.01 0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 58.76 1l8c h LYS 89 Cb 0.58 0.01 -0.40 0.00 -0.41 0.00 0.00 32.23 32.01 1l8c h LYS 89 CO 0.02 -0.03 -0.74 1.21 -2.27 0.00 0.00 179.45 177.64 1l8c s ASN 90 N -5.17 3.46 -0.10 4.20 2.47 0.00 -4.98 114.94 114.82 1l8c s ASN 90 Ca -0.14 -3.37 -0.18 0.00 0.42 0.00 0.00 52.86 49.60 1l8c s ASN 90 Cb 0.12 -1.13 -0.15 0.00 -1.45 0.00 0.00 41.25 38.65 1l8c s ASN 90 CO 0.69 -0.15 0.59 0.00 -3.72 0.00 0.00 177.10 174.51 1l8c h ALA 91 N 5.72 -0.07 -2.97 1.71 0.00 -1.64 -3.41 119.26 118.60 1l8c h ALA 91 Ca 0.16 -0.26 -0.54 0.00 0.00 0.00 0.00 54.91 54.26 1l8c h ALA 91 Cb 0.84 0.03 0.12 0.00 0.00 0.00 0.00 17.79 18.78 1l8c h ALA 91 CO 0.56 -0.10 0.63 -1.12 0.00 0.00 0.00 179.25 179.21 1l8c s SER 92 N -5.77 5.62 0.44 0.00 0.01 -1.26 -4.99 113.70 107.75 1l8c s SER 92 Ca -0.11 2.76 -0.25 0.00 1.31 0.00 0.00 55.95 59.65 1l8c s SER 92 Cb -0.01 -2.64 -0.08 0.00 0.21 0.00 0.00 66.02 63.50 1l8c s SER 92 CO 0.42 -1.33 1.39 -0.62 0.41 0.00 0.00 173.24 173.51 1l8c s ASP 93 N -0.84 5.96 -0.06 2.44 2.15 -1.26 -5.05 116.67 120.01 1l8c s ASP 93 Ca 0.66 2.83 -0.01 0.00 0.43 0.00 0.00 52.55 56.47 1l8c s ASP 93 Cb -0.40 -2.65 0.03 0.00 -0.30 0.00 0.00 42.92 39.60 1l8c s ASP 93 CO 0.49 -1.11 -0.01 -0.54 -0.17 0.00 0.00 175.17 173.83 1l8c s LYS 94 N -2.43 0.64 0.00 4.34 -0.14 -1.26 -5.25 119.74 115.65 1l8c s LYS 94 Ca 0.61 0.06 0.12 0.00 -1.36 0.00 0.00 55.97 55.40 1l8c s LYS 94 Cb -0.42 -0.93 0.72 0.00 -1.68 0.00 0.00 37.83 35.53 1l8c s LYS 94 CO 0.54 -0.25 1.16 0.54 -0.76 0.00 0.00 175.35 176.57