#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 -0.24 0.36 0.00 2.15 -1.26 -5.07 116.67 112.61 1l8c s ASP 2 Ca 0.00 0.48 0.05 0.00 0.43 0.00 0.00 52.55 53.51 1l8c s ASP 2 Cb 0.00 0.42 0.73 0.00 -0.30 0.00 0.00 42.92 43.77 1l8c s ASP 2 CO 0.00 -0.12 1.98 1.55 -0.17 0.00 0.00 175.17 178.40 1l8c h PRO 3 N 6.55 0.74 0.58 4.34 0.13 -2.06 -0.58 132.00 141.71 1l8c h PRO 3 Ca -0.34 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.72 1l8c h PRO 3 Cb 1.17 -0.17 0.01 0.00 0.13 0.00 0.00 31.00 32.14 1l8c h PRO 3 CO 0.37 0.49 -0.28 1.49 -0.23 0.00 0.00 178.00 179.85 1l8c h GLU 4 N 0.76 -0.75 -0.88 0.86 4.81 -1.99 -0.91 114.58 116.48 1l8c h GLU 4 Ca 0.29 0.05 0.13 0.00 -0.13 0.00 0.00 59.36 59.70 1l8c h GLU 4 Cb 0.17 0.17 -0.09 0.00 0.63 0.00 0.00 28.75 29.64 1l8c h GLU 4 CO -0.09 -0.45 0.50 0.87 -0.73 0.00 0.00 179.01 179.12 1l8c h LYS 5 N -0.95 0.74 0.25 1.92 1.57 -1.95 -0.64 116.57 117.51 1l8c h LYS 5 Ca -0.08 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1l8c h LYS 5 Cb 0.65 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1l8c h LYS 5 CO 0.13 0.49 -0.29 -0.09 -0.57 0.00 0.00 179.45 179.13 1l8c h ARG 6 N 0.77 -0.56 -0.43 3.15 2.43 -0.96 0.09 114.38 118.87 1l8c h ARG 6 Ca 0.46 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.66 1l8c h ARG 6 Cb 0.54 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 1l8c h ARG 6 CO -0.31 -0.37 0.22 1.57 -1.51 0.00 0.00 179.97 179.57 1l8c h LYS 7 N -0.58 0.58 -0.56 0.20 5.09 -0.57 -0.59 116.57 120.14 1l8c h LYS 7 Ca -0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 60.65 60.67 1l8c h LYS 7 Cb 0.55 -0.12 -0.03 0.00 0.10 0.00 0.00 32.23 32.73 1l8c h LYS 7 CO -0.08 0.44 0.31 -0.07 -2.09 0.00 0.00 179.45 177.96 1l8c h LEU 8 N 0.59 0.70 -0.06 7.07 3.38 -0.86 -1.53 115.31 124.60 1l8c h LEU 8 Ca 0.15 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1l8c h LEU 8 Cb 0.04 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1l8c h LEU 8 CO -0.02 0.58 0.04 0.40 0.09 0.00 0.00 178.44 179.53 1l8c h ILE 9 N 0.75 1.05 -0.49 1.22 2.04 -0.22 -1.22 117.51 120.64 1l8c h ILE 9 Ca 0.20 -0.15 0.10 0.00 1.00 0.00 0.00 64.86 66.01 1l8c h ILE 9 Cb 0.04 1.04 -0.09 0.00 -0.74 0.00 0.00 36.82 37.07 1l8c h ILE 9 CO -0.03 0.05 -0.12 1.56 0.00 0.00 0.00 178.15 179.61 1l8c h GLN 10 N 0.04 0.01 0.60 2.37 4.20 -0.92 -0.34 115.11 121.07 1l8c h GLN 10 Ca 0.02 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 1l8c h GLN 10 Cb 0.04 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1l8c h GLN 10 CO -0.00 0.00 -0.48 0.37 -0.67 0.00 0.00 178.83 178.05 1l8c h GLN 11 N 0.01 -1.01 -0.78 1.46 4.15 -1.08 -2.21 115.11 115.64 1l8c h GLN 11 Ca 0.24 0.07 0.12 0.00 0.77 0.00 0.00 58.65 59.85 1l8c h GLN 11 Cb 0.36 0.23 -0.08 0.00 0.21 0.00 0.00 27.48 28.20 1l8c h GLN 11 CO -0.50 -0.68 0.39 1.96 -1.93 0.00 0.00 178.83 178.07 1l8c h GLN 12 N -1.05 0.58 0.29 1.69 4.20 -0.88 -0.79 115.11 119.15 1l8c h GLN 12 Ca -0.07 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1l8c h GLN 12 Cb 0.89 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.50 1l8c h GLN 12 CO 0.00 0.38 -0.41 1.25 -0.67 0.00 0.00 178.83 179.38 1l8c h LEU 13 N 0.60 -1.16 -0.21 1.46 6.46 -0.90 0.63 115.31 122.19 1l8c h LEU 13 Ca 0.41 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 58.28 1l8c h LEU 13 Cb 0.53 0.41 -0.01 0.00 -0.73 0.00 0.00 40.66 40.86 1l8c h LEU 13 CO -0.33 -0.53 0.13 0.58 -0.62 0.00 0.00 178.44 177.67 1l8c h VAL 14 N -0.76 1.07 -0.38 1.05 2.07 -1.11 -2.02 116.25 116.16 1l8c h VAL 14 Ca -0.01 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.41 1l8c h VAL 14 Cb 0.72 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 1l8c h VAL 14 CO -0.14 0.06 0.13 -0.07 0.02 0.00 0.00 177.57 177.57 1l8c h LEU 15 N 0.27 0.13 -0.08 2.57 3.38 -1.02 -1.21 115.31 119.35 1l8c h LEU 15 Ca 0.08 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1l8c h LEU 15 Cb -0.01 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1l8c h LEU 15 CO -0.02 0.11 0.04 0.25 0.09 0.00 0.00 178.44 178.91 1l8c h LEU 16 N 0.28 0.11 -0.16 1.67 5.85 -0.71 0.12 115.31 122.47 1l8c h LEU 16 Ca 0.18 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.84 1l8c h LEU 16 Cb 0.16 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 1l8c h LEU 16 CO -0.19 0.18 -0.13 -0.07 -0.34 0.00 0.00 178.44 177.89 1l8c h LEU 17 N 0.02 -0.43 -0.44 2.25 4.07 -1.29 -2.72 115.31 116.78 1l8c h LEU 17 Ca 0.03 0.09 0.03 0.00 0.08 0.00 0.00 57.88 58.11 1l8c h LEU 17 Cb 0.10 0.21 -0.03 0.00 1.08 0.00 0.00 40.66 42.02 1l8c h LEU 17 CO -0.00 -0.18 0.23 -0.74 -1.08 0.00 0.00 178.44 176.67 1l8c h HIS 18 N -0.15 0.43 -0.91 1.13 2.76 -1.05 -2.84 115.15 114.52 1l8c h HIS 18 Ca 0.10 0.02 0.25 0.00 -2.20 0.00 0.00 60.37 58.53 1l8c h HIS 18 Cb 0.30 -0.13 -0.14 0.00 1.55 0.00 0.00 27.41 28.99 1l8c h HIS 18 CO -0.27 0.23 0.34 0.00 -1.30 0.00 0.00 177.93 176.93 1l8c h ALA 19 N 1.22 1.44 0.05 5.26 0.00 -0.42 0.24 119.26 127.05 1l8c h ALA 19 Ca 0.18 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 1l8c h ALA 19 Cb 0.07 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1l8c h ALA 19 CO -0.12 -0.45 -0.02 1.25 0.00 0.00 0.00 179.25 179.91 1l8c h HIS 20 N 0.28 -0.06 -0.71 0.00 6.17 -1.50 -3.33 115.15 116.00 1l8c h HIS 20 Ca 0.59 -0.00 0.14 0.00 0.71 0.00 0.00 60.37 61.80 1l8c h HIS 20 Cb 1.20 0.02 -0.09 0.00 2.52 0.00 0.00 27.41 31.06 1l8c h HIS 20 CO -0.19 0.45 0.23 -0.22 0.71 0.00 0.00 177.93 178.92 1l8c h LYS 21 N -0.63 0.35 -0.73 5.26 3.64 -0.86 -2.78 116.57 120.83 1l8c h LYS 21 Ca -0.01 -0.02 0.15 0.00 -1.27 0.00 0.00 60.65 59.50 1l8c h LYS 21 Cb 0.55 -0.08 -0.14 0.00 -0.41 0.00 0.00 32.23 32.15 1l8c h LYS 21 CO 0.01 0.23 -0.13 0.00 -2.27 0.00 0.00 179.45 177.30 1l8c h GLN 23 N 0.03 0.02 -0.45 0.00 4.20 -1.61 -0.21 115.11 117.08 1l8c h GLN 23 Ca 0.37 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.03 1l8c h GLN 23 Cb 0.59 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 1l8c h GLN 23 CO -0.72 0.01 0.09 -0.09 -0.67 0.00 0.00 178.83 177.45 1l8c h ARG 24 N 0.02 0.74 -0.34 1.46 9.65 -1.34 -3.10 114.38 121.47 1l8c h ARG 24 Ca 0.08 -0.19 0.04 0.00 -1.10 0.00 0.00 59.98 58.81 1l8c h ARG 24 Cb 0.11 -0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 28.56 1l8c h ARG 24 CO -0.15 0.75 0.12 -0.09 2.80 0.00 0.00 179.97 183.39 1l8c h ARG 25 N 0.61 0.26 -0.34 0.20 1.12 -0.52 -0.94 114.38 114.76 1l8c h ARG 25 Ca 0.14 -0.02 0.07 0.00 -1.11 0.00 0.00 59.98 59.06 1l8c h ARG 25 Cb 0.35 -0.06 -0.07 0.00 -0.01 0.00 0.00 29.97 30.19 1l8c h ARG 25 CO 0.01 0.17 -0.09 1.49 -3.11 0.00 0.00 179.97 178.43 1l8c h GLU 26 N 0.26 -0.01 -0.63 0.20 4.57 -1.04 0.41 114.58 118.35 1l8c h GLU 26 Ca 0.15 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.31 1l8c h GLU 26 Cb 0.12 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 1l8c h GLU 26 CO -0.16 -0.01 0.32 1.96 -1.18 0.00 0.00 179.01 179.95 1l8c h GLN 27 N -0.01 0.90 0.81 1.92 1.08 -1.42 -3.30 115.11 115.09 1l8c h GLN 27 Ca 0.17 -0.12 -0.04 0.00 -1.45 0.00 0.00 58.65 57.20 1l8c h GLN 27 Cb 0.26 -0.17 0.01 0.00 -0.05 0.00 0.00 27.48 27.54 1l8c h GLN 27 CO -0.36 0.71 -0.39 0.00 -0.95 0.00 0.00 178.83 177.84 1l8c h ALA 28 N 1.14 -1.15 -2.52 3.87 0.00 -0.57 -3.46 119.26 116.56 1l8c h ALA 28 Ca 0.22 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1l8c h ALA 28 Cb 0.09 0.42 -0.25 0.00 0.00 0.00 0.00 17.79 18.05 1l8c h ALA 28 CO -0.03 -1.07 -0.22 1.21 0.00 0.00 0.00 179.25 179.13 1l8c s ASN 29 N -4.06 -0.59 -0.28 0.00 2.47 0.08 -5.09 114.94 107.47 1l8c s ASN 29 Ca -0.16 1.01 -0.22 0.00 0.42 0.00 0.00 52.86 53.92 1l8c s ASN 29 Cb 0.02 0.91 0.08 0.00 -1.45 0.00 0.00 41.25 40.81 1l8c s ASN 29 CO 0.48 -0.20 0.76 -0.83 -3.72 0.00 0.00 177.10 173.59 1l8c s GLY 30 N 1.29 -0.49 0.00 1.21 0.00 -1.26 -4.34 107.32 103.73 1l8c s GLY 30 Ca -0.08 2.30 0.00 0.00 0.00 0.00 0.00 44.72 46.93 1l8c s GLY 30 CO -0.12 2.01 0.00 -2.21 0.00 0.00 0.00 173.10 172.78 1l8c n GLU 31 N 3.20 0.00 -0.15 2.90 2.13 -1.26 -4.98 120.64 122.47 1l8c n GLU 31 Ca -0.16 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.55 1l8c n GLU 31 Cb 0.56 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.27 1l8c n GLU 31 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1l8c h VAL 32 N 0.00 1.27 -4.20 6.31 2.07 -2.06 -3.46 116.25 116.19 1l8c h VAL 32 Ca 0.00 -1.29 -0.14 0.00 0.82 0.00 0.00 66.70 66.09 1l8c h VAL 32 Cb 0.00 1.15 -0.14 0.00 -1.52 0.00 0.00 31.29 30.78 1l8c h VAL 32 CO 0.00 0.44 -0.54 -0.60 0.02 0.00 0.00 177.57 176.89 1l8c s ARG 33 N -4.74 0.94 0.09 1.57 6.06 -1.26 -5.11 118.95 116.51 1l8c s ARG 33 Ca -0.12 -1.29 0.00 0.00 -2.50 0.00 0.00 55.73 51.82 1l8c s ARG 33 Cb 0.11 0.28 0.00 0.00 0.06 0.00 0.00 34.95 35.41 1l8c s ARG 33 CO 0.85 -0.29 0.00 0.00 -2.50 0.00 0.00 175.30 173.36 1l8c n ALA 34 N -0.10 3.00 -2.55 6.12 0.00 -1.26 -4.75 120.51 120.98 1l8c n ALA 34 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.09 1l8c n ALA 34 Cb 0.63 0.05 -0.10 0.00 0.00 0.00 0.00 19.45 20.03 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 0.22 0.62 -4.68 0.00 7.64 -1.26 -5.06 113.62 111.10 1l8c n SER 36 Ca -0.12 -0.13 -0.42 0.00 1.01 0.00 0.00 58.87 59.21 1l8c n SER 36 Cb 0.55 0.38 -0.03 0.00 -1.01 0.00 0.00 64.21 64.10 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 -0.89 4.29 -0.00 -3.43 1.43 -1.26 -4.96 118.68 113.86 1l8c s LEU 37 Ca 0.00 2.04 -0.25 0.00 -1.03 0.00 0.00 54.13 54.89 1l8c s LEU 37 Cb 0.00 -3.55 -0.18 0.00 0.03 0.00 0.00 46.19 42.49 1l8c s LEU 37 CO 0.00 -0.75 1.29 1.55 0.23 0.00 0.00 176.35 178.67 1l8c h PRO 38 N 8.14 -0.15 0.00 1.29 0.13 -2.04 -3.26 132.00 136.11 1l8c h PRO 38 Ca -0.36 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1l8c h PRO 38 Cb 1.16 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1l8c h PRO 38 CO 0.92 0.22 0.00 0.72 -0.23 0.00 0.00 178.00 179.63 1l8c n HIS 39 N -4.98 0.00 -0.12 1.56 8.25 -1.26 -3.14 115.22 115.52 1l8c n HIS 39 Ca -0.09 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.32 1l8c n HIS 39 Cb 0.23 -0.48 0.03 0.00 1.12 0.00 0.00 29.99 30.89 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 0.35 0.56 -0.04 0.00 -0.00 -1.75 -0.64 114.38 112.86 1l8c h ARG 41 Ca 0.18 -0.03 0.01 0.00 -0.50 0.00 0.00 59.98 59.64 1l8c h ARG 41 Cb 0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 29.97 29.96 1l8c h ARG 41 CO -0.16 0.37 -0.03 1.15 0.00 0.00 0.00 179.97 181.29 1l8c h THR 42 N 0.57 0.90 -0.81 2.04 2.02 -1.56 -2.25 112.91 113.81 1l8c h THR 42 Ca 0.29 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.53 1l8c h THR 42 Cb 0.24 0.90 -0.05 0.00 -1.74 0.00 0.00 68.15 67.49 1l8c h THR 42 CO -0.21 0.00 0.53 0.24 0.37 0.00 0.00 175.52 176.45 1l8c h MET 43 N -0.05 0.88 -0.59 6.66 2.86 -0.54 -1.57 114.93 122.59 1l8c h MET 43 Ca 0.03 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1l8c h MET 43 Cb 0.09 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 1l8c h MET 43 CO -0.07 0.59 0.35 0.87 1.06 0.00 0.00 176.91 179.71 1l8c h LYS 44 N 0.91 0.80 -0.34 1.72 1.57 -0.71 0.15 116.57 120.67 1l8c h LYS 44 Ca 0.34 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1l8c h LYS 44 Cb 0.19 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1l8c h LYS 44 CO -0.12 0.58 0.22 -0.91 -0.57 0.00 0.00 179.45 178.66 1l8c h ASN 45 N 0.80 0.40 0.13 0.86 2.35 -0.84 -1.36 115.58 117.91 1l8c h ASN 45 Ca 0.21 -0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.95 1l8c h ASN 45 Cb -0.01 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 1l8c h ASN 45 CO -0.04 0.30 -0.16 0.58 -1.65 0.00 0.00 177.43 176.46 1l8c h VAL 46 N 0.46 0.64 -0.47 2.81 2.07 -1.05 -2.73 116.25 117.98 1l8c h VAL 46 Ca 0.12 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.74 1l8c h VAL 46 Cb -0.04 0.64 -0.10 0.00 -1.52 0.00 0.00 31.29 30.28 1l8c h VAL 46 CO -0.03 0.00 -0.19 0.25 0.02 0.00 0.00 177.57 177.62 1l8c h LEU 47 N -0.33 -0.67 0.01 2.57 7.12 -0.54 0.32 115.31 123.79 1l8c h LEU 47 Ca 0.01 0.16 0.03 0.00 0.13 0.00 0.00 57.88 58.22 1l8c h LEU 47 Cb 0.33 0.38 -0.05 0.00 -0.53 0.00 0.00 40.66 40.79 1l8c h LEU 47 CO -0.06 -0.22 -0.29 -1.13 -0.13 0.00 0.00 178.44 176.60 1l8c h ASN 48 N -0.09 -0.87 -0.23 1.25 -1.24 -1.15 -2.30 115.58 110.94 1l8c h ASN 48 Ca 0.22 0.11 0.04 0.00 0.71 0.00 0.00 56.30 57.39 1l8c h ASN 48 Cb 0.43 0.35 -0.04 0.00 0.73 0.00 0.00 38.32 39.80 1l8c h ASN 48 CO -0.53 -0.36 -0.00 -0.74 -1.29 0.00 0.00 177.43 174.51 1l8c h HIS 49 N -0.45 -0.01 -0.75 0.67 2.76 -1.14 -3.01 115.15 113.22 1l8c h HIS 49 Ca 0.06 0.02 0.16 0.00 -2.20 0.00 0.00 60.37 58.41 1l8c h HIS 49 Cb 0.53 0.04 -0.14 0.00 1.55 0.00 0.00 27.41 29.39 1l8c h HIS 49 CO -0.32 -0.04 -0.08 1.98 -1.30 0.00 0.00 177.93 178.18 1l8c h MET 50 N 0.07 0.05 -0.59 5.26 4.05 -0.55 0.97 114.93 124.19 1l8c h MET 50 Ca 0.11 -0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.46 1l8c h MET 50 Cb 0.14 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.91 1l8c h MET 50 CO -0.19 0.03 0.09 1.79 0.23 0.00 0.00 176.91 178.87 1l8c h THR 51 N 0.05 1.26 -0.46 -0.77 1.35 -1.30 -3.17 112.91 109.87 1l8c h THR 51 Ca 0.39 -1.00 -0.14 0.00 -0.55 0.00 0.00 66.41 65.11 1l8c h THR 51 Cb 0.66 0.75 -0.01 0.00 -1.73 0.00 0.00 68.15 67.83 1l8c h THR 51 CO -0.71 0.37 -0.25 0.45 -0.25 0.00 0.00 175.52 175.13 1l8c h HIS 52 N 0.89 1.14 -3.90 4.73 3.86 -1.16 -3.45 115.15 117.26 1l8c h HIS 52 Ca 0.18 -0.29 -0.54 0.00 -1.16 0.00 0.00 60.37 58.56 1l8c h HIS 52 Cb 0.43 -0.26 0.11 0.00 1.06 0.00 0.00 27.41 28.75 1l8c h HIS 52 CO 0.03 1.12 0.79 0.00 0.86 0.00 0.00 177.93 180.73 1l8c n GLN 54 N 0.57 1.20 -2.85 0.00 1.13 -1.26 -4.95 117.38 111.23 1l8c n GLN 54 Ca 0.02 -1.02 -0.25 0.00 -1.94 0.00 0.00 57.00 53.80 1l8c n GLN 54 Cb 0.39 -0.74 0.00 0.00 0.11 0.00 0.00 30.24 30.00 1l8c n GLN 54 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1l8c s ALA 55 N -0.52 3.53 0.00 -1.58 0.00 -1.26 -5.11 121.76 116.81 1l8c s ALA 55 Ca 0.02 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1l8c s ALA 55 Cb 0.01 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 20.75 1l8c s ALA 55 CO 0.00 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.82 1l8c n GLY 56 N -2.16 0.58 0.23 0.00 0.00 -1.26 -4.86 105.19 97.72 1l8c n GLY 56 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 -0.41 1.61 1.79 -1.99 -3.33 116.57 114.24 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 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 1l8c h LYS 57 CO 0.00 0.00 0.26 0.00 -1.08 0.00 0.00 179.45 178.63 1l8c h ALA 58 N 2.09 1.69 -2.15 3.86 0.00 -2.02 -3.43 119.26 119.29 1l8c h ALA 58 Ca 0.00 -0.04 -0.56 0.00 0.00 0.00 0.00 54.91 54.31 1l8c h ALA 58 Cb 0.55 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1l8c h ALA 58 CO 0.00 0.28 1.33 0.00 0.00 0.00 0.00 179.25 180.86 1l8c h GLN 60 N 12.55 0.00 -6.21 0.00 4.20 -1.96 -3.43 115.11 120.26 1l8c h GLN 60 Ca -0.44 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 57.71 1l8c h GLN 60 Cb 1.23 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.00 1l8c h GLN 60 CO 0.96 0.14 1.27 0.08 -0.67 0.00 0.00 178.83 180.61 1l8c s VAL 61 N -3.78 3.28 0.12 -0.54 1.01 -1.26 -4.92 120.40 114.32 1l8c s VAL 61 Ca -0.00 0.32 -0.32 0.00 0.00 0.00 0.00 61.98 61.98 1l8c s VAL 61 Cb 0.11 -3.29 -0.10 0.00 0.00 0.00 0.00 36.38 33.09 1l8c s VAL 61 CO 0.59 -0.12 1.56 0.00 0.00 0.00 0.00 175.10 177.13 1l8c h ALA 62 N 12.04 -0.79 -0.62 5.51 0.00 -2.00 -2.29 119.26 131.11 1l8c h ALA 62 Ca -0.41 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.56 1l8c h ALA 62 Cb 1.20 0.97 -0.07 0.00 0.00 0.00 0.00 17.79 19.90 1l8c h ALA 62 CO 0.97 -1.04 0.26 0.45 0.00 0.00 0.00 179.25 179.89 1l8c h HIS 63 N -0.53 0.45 0.53 0.00 3.86 -1.98 -0.95 115.15 116.53 1l8c h HIS 63 Ca 0.05 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 1l8c h HIS 63 Cb 0.66 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 29.01 1l8c h HIS 63 CO -0.58 0.14 -0.35 0.00 0.86 0.00 0.00 177.93 178.00 1l8c h ALA 65 N -0.46 -0.03 0.17 0.00 0.00 -1.16 -1.84 119.26 115.94 1l8c h ALA 65 Ca -0.06 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1l8c h ALA 65 Cb 0.70 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1l8c h ALA 65 CO 0.05 -0.60 -0.08 0.66 0.00 0.00 0.00 179.25 179.28 1l8c h SER 66 N -0.18 -0.19 -0.75 0.00 4.64 -1.17 -3.11 113.55 112.80 1l8c h SER 66 Ca 0.14 -0.22 0.12 0.00 -0.47 0.00 0.00 61.79 61.35 1l8c h SER 66 Cb 0.39 0.05 -0.08 0.00 -0.31 0.00 0.00 62.40 62.45 1l8c h SER 66 CO -0.35 0.13 0.35 0.77 -0.87 0.00 0.00 176.83 176.86 1l8c h SER 67 N -0.52 0.41 -0.36 4.97 4.64 -0.81 -1.21 113.55 120.67 1l8c h SER 67 Ca -0.02 0.08 0.03 0.00 -0.47 0.00 0.00 61.79 61.40 1l8c h SER 67 Cb 0.40 0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.48 1l8c h SER 67 CO 0.04 0.20 0.18 0.03 -0.87 0.00 0.00 176.83 176.41 1l8c h ARG 68 N 0.55 0.35 0.21 4.77 3.08 -1.41 -2.90 114.38 119.03 1l8c h ARG 68 Ca 0.39 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.43 1l8c h ARG 68 Cb 0.50 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 1l8c h ARG 68 CO -0.33 0.23 -0.28 0.37 -1.07 0.00 0.00 179.97 178.90 1l8c h GLN 69 N 0.37 -0.53 -0.60 0.04 -0.00 -1.20 -1.30 115.11 111.89 1l8c h GLN 69 Ca 0.15 0.04 0.10 0.00 -0.00 0.00 0.00 58.65 58.93 1l8c h GLN 69 Cb 0.06 0.12 -0.07 0.00 0.00 0.00 0.00 27.48 27.59 1l8c h GLN 69 CO -0.11 -0.35 0.21 -0.84 0.00 0.00 0.00 178.83 177.74 1l8c h ILE 70 N -0.55 0.75 -0.53 2.39 3.07 -1.21 -0.71 117.51 120.72 1l8c h ILE 70 Ca 0.01 -0.13 -0.10 0.00 1.55 0.00 0.00 64.86 66.19 1l8c h ILE 70 Cb 0.53 0.34 -0.02 0.00 -0.27 0.00 0.00 36.82 37.41 1l8c h ILE 70 CO -0.10 0.07 -0.05 0.40 -1.05 0.00 0.00 178.15 177.41 1l8c h ILE 71 N 0.38 1.27 -0.35 0.16 1.08 -1.44 -1.38 117.51 117.22 1l8c h ILE 71 Ca 0.31 -1.18 0.07 0.00 -0.39 0.00 0.00 64.86 63.67 1l8c h ILE 71 Cb 0.39 0.96 -0.07 0.00 -3.07 0.00 0.00 36.82 35.04 1l8c h ILE 71 CO -0.32 0.42 -0.09 0.28 -0.69 0.00 0.00 178.15 177.74 1l8c h SER 72 N 0.83 -0.34 0.83 1.72 0.02 -0.55 -0.80 113.55 115.27 1l8c h SER 72 Ca 0.14 0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 61.16 1l8c h SER 72 Cb 0.60 0.23 0.01 0.00 0.14 0.00 0.00 62.40 63.37 1l8c h SER 72 CO 0.04 -0.12 -0.42 -0.74 -1.14 0.00 0.00 176.83 174.45 1l8c h HIS 73 N -0.01 -1.08 -0.86 3.45 -0.00 -0.98 -2.83 115.15 112.84 1l8c h HIS 73 Ca 0.17 -0.02 0.14 0.00 -0.00 0.00 0.00 60.37 60.66 1l8c h HIS 73 Cb 0.27 0.36 -0.09 0.00 -0.00 0.00 0.00 27.41 27.95 1l8c h HIS 73 CO -0.33 -0.66 0.46 2.35 -0.00 0.00 0.00 177.93 179.75 1l8c h TRP 74 N -1.14 0.81 -0.43 5.26 7.01 -1.07 0.76 115.95 127.15 1l8c h TRP 74 Ca -0.11 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.90 1l8c h TRP 74 Cb 0.88 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 27.69 1l8c h TRP 74 CO 0.02 0.22 0.19 -0.22 -2.79 0.00 0.00 178.44 175.86 1l8c h LYS 75 N 0.67 0.63 -0.02 2.65 3.64 -1.19 -3.29 116.57 119.66 1l8c h LYS 75 Ca 0.46 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.70 1l8c h LYS 75 Cb 0.61 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1l8c h LYS 75 CO -0.34 0.56 -0.13 -0.91 -2.27 0.00 0.00 179.45 176.36 1l8c h ASN 76 N 0.55 0.14 -2.54 4.20 2.35 -1.16 -3.46 115.58 115.67 1l8c h ASN 76 Ca 0.15 -0.70 -0.53 0.00 -0.55 0.00 0.00 56.30 54.66 1l8c h ASN 76 Cb 0.15 -0.04 0.02 0.00 0.05 0.00 0.00 38.32 38.49 1l8c h ASN 76 CO -0.02 0.82 1.11 0.00 -1.65 0.00 0.00 177.43 177.70 1l8c n THR 78 N 5.18 0.51 -1.64 0.00 -2.24 -1.26 -4.89 114.28 109.95 1l8c n THR 78 Ca 0.18 -0.72 -0.36 0.00 -2.27 0.00 0.00 64.05 60.88 1l8c n THR 78 Cb 0.41 0.35 0.08 0.00 -2.10 0.00 0.00 70.33 69.07 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 -0.77 2.39 0.47 -0.78 3.52 -1.26 -4.93 118.95 117.59 1l8c s ARG 79 Ca 0.12 2.02 0.17 0.00 -0.13 0.00 0.00 55.73 57.91 1l8c s ARG 79 Cb 0.11 -1.83 1.15 0.00 -1.56 0.00 0.00 34.95 32.82 1l8c s ARG 79 CO -0.01 -1.71 2.00 1.12 -0.81 0.00 0.00 175.30 175.89 1l8c h HIS 80 N 0.30 0.28 -2.65 5.12 2.07 -2.03 -3.42 115.15 114.82 1l8c h HIS 80 Ca -0.50 0.01 -0.11 0.00 -2.85 0.00 0.00 60.37 56.91 1l8c h HIS 80 Cb 1.33 -0.09 -0.25 0.00 2.57 0.00 0.00 27.41 30.97 1l8c h HIS 80 CO 0.42 0.13 -0.25 0.16 -3.07 0.00 0.00 177.93 175.32 1l8c s ASP 81 N -6.33 -0.50 -0.09 3.10 -4.77 -1.26 -4.95 116.67 101.88 1l8c s ASP 81 Ca -0.07 0.90 -0.11 0.00 -3.30 0.00 0.00 52.55 49.97 1l8c s ASP 81 Cb 0.19 0.83 0.03 0.00 -1.09 0.00 0.00 42.92 42.88 1l8c s ASP 81 CO 0.74 -0.17 0.29 0.00 0.70 0.00 0.00 175.17 176.73 1l8c n PRO 83 N 2.49 0.14 0.00 0.00 -0.04 -1.26 -2.89 135.00 133.44 1l8c n PRO 83 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1l8c n PRO 83 Cb 0.57 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 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 -0.98 0.00 -0.03 0.52 0.31 -1.26 -4.89 118.33 112.01 1l8c n VAL 84 Ca 0.03 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.28 1l8c n VAL 84 Cb 0.01 -0.56 -0.02 0.00 -0.91 0.00 0.00 33.84 32.36 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 -0.25 -1.16 -1.63 0.00 7.12 -1.84 0.30 115.31 117.85 1l8c h LEU 86 Ca 0.12 0.11 0.08 0.00 0.13 0.00 0.00 57.88 58.32 1l8c h LEU 86 Cb 0.43 0.41 -0.03 0.00 -0.53 0.00 0.00 40.66 40.94 1l8c h LEU 86 CO -0.34 -0.47 0.38 1.55 -0.13 0.00 0.00 178.44 179.43 1l8c h PRO 87 N -0.68 0.43 -0.12 5.25 0.13 -1.71 0.61 132.00 135.91 1l8c h PRO 87 Ca -0.03 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 65.02 1l8c h PRO 87 Cb 0.63 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.66 1l8c h PRO 87 CO -0.14 0.28 -0.14 -0.07 -0.23 0.00 0.00 178.00 177.70 1l8c h LEU 88 N 0.44 0.34 0.53 1.56 3.38 -1.34 -2.45 115.31 117.77 1l8c h LEU 88 Ca 0.25 -0.49 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 1l8c h LEU 88 Cb 0.43 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.09 1l8c h LEU 88 CO -0.07 0.76 -0.25 0.50 0.09 0.00 0.00 178.44 179.47 1l8c h LYS 89 N -0.08 -0.68 -3.08 1.13 3.64 -0.45 -3.41 116.57 113.64 1l8c h LYS 89 Ca 0.02 0.05 -0.53 0.00 -1.27 0.00 0.00 60.65 58.91 1l8c h LYS 89 Cb 0.67 0.16 -0.40 0.00 -0.41 0.00 0.00 32.23 32.25 1l8c h LYS 89 CO 0.03 -0.45 -0.77 1.21 -2.27 0.00 0.00 179.45 177.21 1l8c s ASN 90 N -4.58 3.44 0.28 4.20 2.47 0.16 -5.03 114.94 115.89 1l8c s ASN 90 Ca -0.17 -1.24 -0.01 0.00 0.42 0.00 0.00 52.86 51.87 1l8c s ASN 90 Cb 0.04 -0.48 0.42 0.00 -1.45 0.00 0.00 41.25 39.78 1l8c s ASN 90 CO 0.62 -0.41 1.82 0.00 -3.72 0.00 0.00 177.10 175.42 1l8c h ALA 91 N 8.32 1.22 0.00 1.71 0.00 -1.63 -3.34 119.26 125.53 1l8c h ALA 91 Ca -0.17 -0.21 -0.63 0.00 0.00 0.00 0.00 54.91 53.89 1l8c h ALA 91 Cb 1.04 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.63 1l8c h ALA 91 CO 0.42 0.53 3.22 0.43 0.00 0.00 0.00 179.25 183.85 1l8c n SER 92 N -4.27 5.78 0.12 0.00 7.64 -1.26 -4.65 113.62 116.98 1l8c n SER 92 Ca 0.03 -2.63 0.03 0.00 1.01 0.00 0.00 58.87 57.32 1l8c n SER 92 Cb 0.24 -1.45 0.42 0.00 -1.01 0.00 0.00 64.21 62.41 1l8c n SER 92 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1l8c h ASP 93 N 5.91 0.24 -3.06 6.43 3.58 -1.96 -3.44 116.42 124.12 1l8c h ASP 93 Ca 0.66 -0.04 -0.47 0.00 0.42 0.00 0.00 57.03 57.60 1l8c h ASP 93 Cb 0.42 -0.06 -0.14 0.00 1.72 0.00 0.00 39.33 41.27 1l8c h ASP 93 CO 1.78 0.33 -0.72 -0.54 -2.88 0.00 0.00 179.24 177.22 1l8c s LYS 94 N -4.88 1.42 0.00 0.28 1.02 -1.26 -5.23 119.74 111.08 1l8c s LYS 94 Ca -0.06 -1.66 0.00 0.00 0.02 0.00 0.00 55.97 54.27 1l8c s LYS 94 Cb 0.16 -1.18 0.00 0.00 -0.52 0.00 0.00 37.83 36.29 1l8c s LYS 94 CO 0.73 0.15 0.15 0.54 -0.92 0.00 0.00 175.35 176.00