#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cg8 s LEU 2 N 0.00 0.97 0.56 7.52 2.96 -1.26 -5.01 118.68 124.42 1cg8 s LEU 2 Ca 0.00 0.54 -0.19 0.00 -0.22 0.00 0.00 54.13 54.26 1cg8 s LEU 2 Cb 0.00 0.92 -0.05 0.00 0.50 0.00 0.00 46.19 47.56 1cg8 s LEU 2 CO 0.00 -0.09 1.13 -0.94 -1.32 0.00 0.00 176.35 175.12 1cg8 s SER 3 N 0.15 5.64 0.21 3.68 1.04 -1.26 -4.73 113.70 118.43 1cg8 s SER 3 Ca -0.00 2.16 -0.13 0.00 0.48 0.00 0.00 55.95 58.46 1cg8 s SER 3 Cb -0.02 -2.58 0.25 0.00 0.10 0.00 0.00 66.02 63.77 1cg8 s SER 3 CO 0.00 -1.27 1.63 0.77 0.98 0.00 0.00 173.24 175.35 1cg8 h SER 4 N 1.05 -0.53 -0.46 7.02 4.64 -2.01 0.83 113.55 124.10 1cg8 h SER 4 Ca -0.50 0.18 0.04 0.00 -0.47 0.00 0.00 61.79 61.05 1cg8 h SER 4 Cb 1.26 0.37 -0.04 0.00 -0.31 0.00 0.00 62.40 63.68 1cg8 h SER 4 CO 0.57 -0.19 0.22 1.56 -0.87 0.00 0.00 176.83 178.11 1cg8 h GLN 5 N 0.02 0.42 -0.07 4.77 7.50 -2.01 -1.70 115.11 124.04 1cg8 h GLN 5 Ca 0.31 -0.03 -0.13 0.00 0.50 0.00 0.00 58.65 59.30 1cg8 h GLN 5 Cb 0.48 -0.10 -0.01 0.00 0.05 0.00 0.00 27.48 27.90 1cg8 h GLN 5 CO -0.63 0.28 -0.53 -0.91 -1.50 0.00 0.00 178.83 175.54 1cg8 h ASN 6 N 0.44 0.21 -0.24 1.46 2.35 -1.40 -3.24 115.58 115.16 1cg8 h ASN 6 Ca 0.20 -0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 1cg8 h ASN 6 Cb 0.13 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 1cg8 h ASN 6 CO -0.15 0.71 0.06 0.50 -1.65 0.00 0.00 177.43 176.89 1cg8 h LYS 7 N 0.15 0.38 -0.10 0.81 3.64 0.14 -3.01 116.57 118.58 1cg8 h LYS 7 Ca 0.00 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 59.32 1cg8 h LYS 7 Cb 0.99 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.73 1cg8 h LYS 7 CO 0.08 0.48 -0.07 0.87 -2.27 0.00 0.00 179.45 178.54 1cg8 h LYS 8 N 0.21 -0.08 -0.94 1.90 1.57 -1.37 -1.91 116.57 115.96 1cg8 h LYS 8 Ca 0.08 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.91 1cg8 h LYS 8 Cb 0.27 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.55 1cg8 h LYS 8 CO 0.00 -0.05 0.61 0.00 -0.57 0.00 0.00 179.45 179.44 1cg8 h ALA 9 N 1.00 1.43 -0.32 3.86 0.00 -1.59 -2.88 119.26 120.76 1cg8 h ALA 9 Ca 0.06 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1cg8 h ALA 9 Cb 0.18 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1cg8 h ALA 9 CO -0.15 0.47 -0.19 0.82 0.00 0.00 0.00 179.25 180.20 1cg8 h ILE 10 N 1.15 1.29 -0.70 0.00 1.08 -1.33 -2.64 117.51 116.35 1cg8 h ILE 10 Ca 0.38 -1.31 0.14 0.00 -0.39 0.00 0.00 64.86 63.68 1cg8 h ILE 10 Cb 0.07 1.45 -0.09 0.00 -3.07 0.00 0.00 36.82 35.18 1cg8 h ILE 10 CO -0.13 0.42 0.22 -0.33 -0.69 0.00 0.00 178.15 177.65 1cg8 h GLU 11 N 0.45 0.34 0.00 2.37 4.39 -1.13 -2.39 114.58 118.61 1cg8 h GLU 11 Ca 0.07 -0.02 -0.21 0.00 0.34 0.00 0.00 59.36 59.53 1cg8 h GLU 11 Cb 0.73 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1cg8 h GLU 11 CO 0.05 0.23 -0.92 1.05 -1.16 0.00 0.00 179.01 178.26 1cg8 h GLU 12 N 0.35 0.31 0.00 2.33 4.11 -1.53 -3.28 114.58 116.87 1cg8 h GLU 12 Ca 0.38 -0.34 -0.01 0.00 0.07 0.00 0.00 59.36 59.46 1cg8 h GLU 12 Cb 0.59 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 1cg8 h GLU 12 CO -0.42 1.04 -0.07 1.25 0.07 0.00 0.00 179.01 180.88 1cg8 h LEU 13 N 0.17 0.00 -1.65 3.06 7.12 -1.05 -2.77 115.31 120.19 1cg8 h LEU 13 Ca -0.06 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.93 1cg8 h LEU 13 Cb 1.55 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.67 1cg8 h LEU 13 CO 0.15 0.07 0.08 1.23 -0.13 0.00 0.00 178.44 179.83 1cg8 h GLY 14 N 0.24 0.32 1.04 3.75 0.00 -1.57 -1.92 103.07 104.93 1cg8 h GLY 14 Ca -0.00 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.13 1cg8 h GLY 14 CO 0.01 0.14 0.18 3.43 0.00 0.00 0.00 176.54 180.30 1cg8 h ASN 15 N 0.31 1.01 -0.28 0.19 4.21 -1.69 -1.65 115.58 117.66 1cg8 h ASN 15 Ca 0.08 -0.22 -0.12 0.00 1.21 0.00 0.00 56.30 57.25 1cg8 h ASN 15 Cb 0.08 -0.26 -0.00 0.00 -1.12 0.00 0.00 38.32 37.01 1cg8 h ASN 15 CO -0.01 0.97 -0.27 -0.07 -1.29 0.00 0.00 177.43 176.75 1cg8 h LEU 16 N 1.00 0.73 -0.01 1.61 3.38 -1.55 -3.05 115.31 117.42 1cg8 h LEU 16 Ca 0.21 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 1cg8 h LEU 16 Cb 0.34 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1cg8 h LEU 16 CO -0.00 1.05 0.00 0.40 0.09 0.00 0.00 178.44 179.98 1cg8 h ILE 17 N 0.42 1.05 -0.75 1.22 2.04 -1.24 -2.35 117.51 117.90 1cg8 h ILE 17 Ca 0.05 -0.15 0.11 0.00 1.00 0.00 0.00 64.86 65.86 1cg8 h ILE 17 Cb 0.84 1.14 -0.08 0.00 -0.74 0.00 0.00 36.82 37.98 1cg8 h ILE 17 CO 0.07 0.04 0.37 0.50 0.00 0.00 0.00 178.15 179.13 1cg8 h LYS 18 N -0.05 0.58 -0.17 2.37 3.64 -1.36 0.30 116.57 121.88 1cg8 h LYS 18 Ca 0.00 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 1cg8 h LYS 18 Cb 0.06 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1cg8 h LYS 18 CO -0.00 0.38 -0.29 0.00 -2.27 0.00 0.00 179.45 177.27 1cg8 h ALA 19 N 1.47 1.20 -0.22 5.00 0.00 -1.40 -3.14 119.26 122.17 1cg8 h ALA 19 Ca 0.38 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1cg8 h ALA 19 Cb 0.46 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1cg8 h ALA 19 CO -0.31 0.52 -0.06 0.09 0.00 0.00 0.00 179.25 179.50 1cg8 n ASN 20 N -4.12 2.99 -0.25 0.00 3.02 -0.89 -4.86 115.26 111.16 1cg8 n ASN 20 Ca -0.01 -3.33 -0.09 0.00 -0.03 0.00 0.00 54.58 51.12 1cg8 n ASN 20 Cb 0.40 -0.55 -0.05 0.00 -0.61 0.00 0.00 39.78 38.97 1cg8 n ASN 20 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cg8 h ALA 21 N 1.13 -0.39 0.35 5.41 0.00 -0.36 -0.96 119.26 124.44 1cg8 h ALA 21 Ca 0.07 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1cg8 h ALA 21 Cb 1.40 1.07 0.00 0.00 0.00 0.00 0.00 17.79 20.26 1cg8 h ALA 21 CO 0.22 -0.87 -0.17 1.49 0.00 0.00 0.00 179.25 179.92 1cg8 h GLU 22 N -0.19 -0.46 -0.49 0.00 4.81 -1.83 0.33 114.58 116.74 1cg8 h GLU 22 Ca 0.18 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.45 1cg8 h GLU 22 Cb 0.55 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.00 1cg8 h GLU 22 CO -0.75 -0.26 0.32 0.00 -0.73 0.00 0.00 179.01 177.59 1cg8 h ALA 23 N 0.08 0.63 -0.09 2.92 0.00 -1.88 0.37 119.26 121.30 1cg8 h ALA 23 Ca -0.05 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1cg8 h ALA 23 Cb 0.41 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1cg8 h ALA 23 CO 0.08 0.04 -0.28 -1.49 0.00 0.00 0.00 179.25 177.60 1cg8 h TRP 24 N 0.64 0.45 -0.51 0.00 4.06 -1.18 -2.40 115.95 117.01 1cg8 h TRP 24 Ca 0.19 -0.18 0.04 0.00 2.06 0.00 0.00 58.89 60.99 1cg8 h TRP 24 Cb -0.04 -0.08 -0.04 0.00 -1.00 0.00 0.00 29.16 28.00 1cg8 h TRP 24 CO -0.05 0.90 0.27 0.78 -3.56 0.00 0.00 178.44 176.77 1cg8 h GLY 25 N -0.12 0.71 1.31 1.49 0.00 -0.27 0.21 103.07 106.40 1cg8 h GLY 25 Ca -0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 1cg8 h GLY 25 CO 0.06 0.13 0.18 0.00 0.00 0.00 0.00 176.54 176.91 1cg8 h ALA 26 N 1.26 1.22 -0.26 3.60 0.00 -0.97 -1.35 119.26 122.76 1cg8 h ALA 26 Ca 0.22 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1cg8 h ALA 26 Cb 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1cg8 h ALA 26 CO -0.14 0.55 -0.10 0.22 0.00 0.00 0.00 179.25 179.78 1cg8 h ASP 27 N 0.85 0.54 -0.31 0.00 3.58 -0.79 -2.18 116.42 118.11 1cg8 h ASP 27 Ca 0.19 -0.39 0.01 0.00 0.42 0.00 0.00 57.03 57.26 1cg8 h ASP 27 Cb 0.25 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 1cg8 h ASP 27 CO -0.01 0.81 0.20 0.00 -2.88 0.00 0.00 179.24 177.36 1cg8 h ALA 28 N 0.74 0.39 -0.54 -0.78 0.00 -0.27 -2.39 119.26 116.42 1cg8 h ALA 28 Ca 0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1cg8 h ALA 28 Cb 0.59 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1cg8 h ALA 28 CO 0.03 -0.16 0.22 -0.07 0.00 0.00 0.00 179.25 179.27 1cg8 h LEU 29 N 0.40 0.74 -1.19 0.00 3.38 -1.27 -2.31 115.31 115.06 1cg8 h LEU 29 Ca 0.12 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 57.96 1cg8 h LEU 29 Cb -0.03 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 1cg8 h LEU 29 CO -0.04 0.70 0.56 0.00 0.09 0.00 0.00 178.44 179.75 1cg8 h ALA 30 N 1.06 1.50 -0.42 1.53 0.00 -1.17 -0.67 119.26 121.09 1cg8 h ALA 30 Ca 0.18 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1cg8 h ALA 30 Cb 0.19 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1cg8 h ALA 30 CO -0.02 0.41 -0.13 0.00 0.00 0.00 0.00 179.25 179.52 1cg8 h ARG 31 N 1.03 0.83 -0.10 0.00 3.08 -1.21 -0.71 114.38 117.30 1cg8 h ARG 31 Ca 0.34 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1cg8 h ARG 31 Cb 0.07 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1cg8 h ARG 31 CO -0.11 0.96 0.05 1.25 -1.07 0.00 0.00 179.97 181.05 1cg8 h LEU 32 N 0.65 0.08 -1.05 3.04 5.85 -0.78 0.29 115.31 123.39 1cg8 h LEU 32 Ca 0.10 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 1cg8 h LEU 32 Cb 0.67 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1cg8 h LEU 32 CO 0.05 0.06 -0.18 -0.26 -0.34 0.00 0.00 178.44 177.77 1cg8 h PHE 33 N 0.11 0.52 0.03 1.25 0.04 -1.12 0.10 116.94 117.86 1cg8 h PHE 33 Ca 0.04 -0.09 -0.00 0.00 2.80 0.00 0.00 57.97 60.72 1cg8 h PHE 33 Cb 0.00 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.02 1cg8 h PHE 33 CO -0.08 0.63 -0.01 1.49 -0.60 0.00 0.00 178.31 179.73 1cg8 h GLU 34 N 0.43 -0.03 -0.25 1.51 4.57 -0.71 -2.82 114.58 117.27 1cg8 h GLU 34 Ca 0.07 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.10 1cg8 h GLU 34 Cb 0.56 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.15 1cg8 h GLU 34 CO 0.04 0.59 -0.47 -0.07 -1.18 0.00 0.00 179.01 177.91 1cg8 h LEU 35 N -0.69 0.72 -6.43 1.64 4.07 -0.41 -3.38 115.31 110.82 1cg8 h LEU 35 Ca -0.00 -0.35 -0.59 0.00 0.08 0.00 0.00 57.88 57.01 1cg8 h LEU 35 Cb 0.63 -0.20 -0.40 0.00 1.08 0.00 0.00 40.66 41.77 1cg8 h LEU 35 CO 0.01 1.07 -0.81 1.41 -1.08 0.00 0.00 178.44 179.04 1cg8 n HIS 36 N -4.00 1.36 0.27 1.13 8.25 0.34 -4.98 115.22 117.58 1cg8 n HIS 36 Ca -0.03 -3.83 0.16 0.00 -0.26 0.00 0.00 57.72 53.77 1cg8 n HIS 36 Cb 0.57 -0.30 0.78 0.00 1.12 0.00 0.00 29.99 32.16 1cg8 n HIS 36 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1cg8 h PRO 37 N 4.85 0.00 0.00 -0.41 0.13 -1.68 -1.15 132.00 133.75 1cg8 h PRO 37 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1cg8 h PRO 37 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1cg8 h PRO 37 CO 0.59 0.00 0.00 -0.56 -0.23 0.00 0.00 178.00 177.80 1cg8 h GLN 38 N 0.00 0.00 0.00 0.86 -0.00 -1.92 -2.12 115.11 111.93 1cg8 h GLN 38 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.70 1cg8 h GLN 38 Cb 0.81 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.29 1cg8 h GLN 38 CO -0.00 0.00 0.00 0.25 -0.00 0.00 0.00 178.83 179.08 1cg8 n THR 39 N -2.83 0.73 0.27 1.86 -2.24 -0.43 -2.86 114.28 108.77 1cg8 n THR 39 Ca 0.00 0.03 0.14 0.00 -2.27 0.00 0.00 64.05 61.95 1cg8 n THR 39 Cb 0.22 -0.93 0.71 0.00 -2.10 0.00 0.00 70.33 68.23 1cg8 n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1cg8 h LYS 40 N 0.00 0.00 0.00 -0.78 1.57 -1.58 -2.73 116.57 113.05 1cg8 h LYS 40 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1cg8 h LYS 40 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 1cg8 h LYS 40 CO 0.00 0.10 -0.01 1.79 -0.57 0.00 0.00 179.45 180.77 1cg8 h THR 41 N 0.00 0.10 0.00 -0.16 1.35 -1.73 -1.04 112.91 111.43 1cg8 h THR 41 Ca -0.00 -0.10 -0.10 0.00 -0.55 0.00 0.00 66.41 65.66 1cg8 h THR 41 Cb 0.44 1.09 -0.01 0.00 -1.73 0.00 0.00 68.15 67.93 1cg8 h THR 41 CO 0.01 0.01 -0.47 1.88 -0.25 0.00 0.00 175.52 176.70 1cg8 h TYR 42 N 0.00 0.00 -2.59 4.73 0.05 -1.73 -3.35 116.97 114.07 1cg8 h TYR 42 Ca -0.00 0.00 -0.75 0.00 0.05 0.00 0.00 58.73 58.03 1cg8 h TYR 42 Cb 0.09 0.00 -0.31 0.00 1.01 0.00 0.00 36.73 37.51 1cg8 h TYR 42 CO 0.00 0.47 0.48 1.19 -1.05 0.00 0.00 178.16 179.25 1cg8 n PHE 43 N -3.29 2.73 0.25 4.88 3.01 -0.39 -4.82 117.46 119.83 1cg8 n PHE 43 Ca 0.01 -2.96 0.08 0.00 1.01 0.00 0.00 57.45 55.59 1cg8 n PHE 43 Cb 0.68 -1.06 0.62 0.00 -0.01 0.00 0.00 39.48 39.72 1cg8 n PHE 43 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1cg8 h SER 44 N 4.76 0.00 0.79 4.37 4.64 -1.73 -2.91 113.55 123.47 1cg8 h SER 44 Ca 0.27 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.39 1cg8 h SER 44 Cb 0.55 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.62 1cg8 h SER 44 CO 1.18 0.10 -0.91 0.07 -0.87 0.00 0.00 176.83 176.40 1cg8 h LYS 45 N 0.00 0.07 -6.81 4.77 2.10 -1.94 -3.47 116.57 111.30 1cg8 h LYS 45 Ca -0.00 -0.09 -0.57 0.00 -2.00 0.00 0.00 60.65 57.99 1cg8 h LYS 45 Cb 0.19 0.03 0.15 0.00 -0.90 0.00 0.00 32.23 31.69 1cg8 h LYS 45 CO 0.01 0.92 0.20 1.19 -2.00 0.00 0.00 179.45 179.78 1cg8 n PHE 46 N -3.54 1.12 -0.04 0.07 3.01 -1.10 -4.95 117.46 112.03 1cg8 n PHE 46 Ca -0.02 0.47 -0.00 0.00 1.01 0.00 0.00 57.45 58.91 1cg8 n PHE 46 Cb 0.84 -2.20 -0.12 0.00 -0.01 0.00 0.00 39.48 37.99 1cg8 n PHE 46 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1cg8 n SER 47 N -0.42 1.25 -4.00 4.37 3.41 -1.26 -5.02 113.62 111.94 1cg8 n SER 47 Ca 0.12 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.63 1cg8 n SER 47 Cb 0.45 1.29 -0.08 0.00 -0.26 0.00 0.00 64.21 65.60 1cg8 n SER 47 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1cg8 s GLY 48 N -4.41 0.57 -0.02 5.00 0.00 -1.26 -5.08 107.32 102.13 1cg8 s GLY 48 Ca -0.07 -1.03 0.02 0.00 0.00 0.00 0.00 44.72 43.65 1cg8 s GLY 48 CO 0.65 -0.99 0.88 0.69 0.00 0.00 0.00 173.10 174.33 1cg8 n PHE 49 N -0.15 0.00 -1.90 1.90 3.72 -1.26 -4.74 117.46 115.03 1cg8 n PHE 49 Ca -0.08 -0.40 -0.31 0.00 -0.05 0.00 0.00 57.45 56.61 1cg8 n PHE 49 Cb 0.63 -0.05 0.01 0.00 -0.94 0.00 0.00 39.48 39.13 1cg8 n PHE 49 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1cg8 s GLU 50 N -0.89 3.48 0.27 -1.08 0.41 -1.26 -4.52 118.70 115.12 1cg8 s GLU 50 Ca 0.04 0.86 0.23 0.00 -0.41 0.00 0.00 54.97 55.69 1cg8 s GLU 50 Cb 0.03 -2.07 1.02 0.00 -1.78 0.00 0.00 34.13 31.34 1cg8 s GLU 50 CO 0.00 -0.66 1.69 0.00 -0.49 0.00 0.00 175.26 175.80 1cg8 n ALA 51 N -2.59 1.48 0.45 5.21 0.00 -1.26 -2.02 120.51 121.78 1cg8 n ALA 51 Ca 0.07 0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.74 1cg8 n ALA 51 Cb 0.54 -1.36 0.14 0.00 0.00 0.00 0.00 19.45 18.77 1cg8 n ALA 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cg8 s ASN 53 N -4.59 6.55 0.40 0.00 3.84 -0.86 -4.90 114.94 115.38 1cg8 s ASN 53 Ca 0.05 2.57 0.12 0.00 0.21 0.00 0.00 52.86 55.80 1cg8 s ASN 53 Cb 0.12 -2.57 0.93 0.00 -0.55 0.00 0.00 41.25 39.18 1cg8 s ASN 53 CO 0.73 -0.91 1.93 -0.33 -2.79 0.00 0.00 177.10 175.72 1cg8 h GLU 54 N 8.31 0.53 -0.34 0.43 3.07 -1.89 -0.31 114.58 124.38 1cg8 h GLU 54 Ca -0.43 -0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 58.33 1cg8 h GLU 54 Cb 1.21 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.98 1cg8 h GLU 54 CO 0.93 0.35 -0.05 1.96 -1.40 0.00 0.00 179.01 180.81 1cg8 h GLN 55 N 0.55 0.63 -0.65 2.33 4.20 -1.92 -0.59 115.11 119.65 1cg8 h GLN 55 Ca 0.36 -0.22 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 1cg8 h GLN 55 Cb 0.64 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.34 1cg8 h GLN 55 CO -0.13 0.78 0.27 0.28 -0.67 0.00 0.00 178.83 179.36 1cg8 h VAL 56 N 0.42 1.22 -0.37 -0.54 2.07 -1.57 -0.84 116.25 116.65 1cg8 h VAL 56 Ca 0.09 -0.69 -0.14 0.00 0.82 0.00 0.00 66.70 66.77 1cg8 h VAL 56 Cb 0.53 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1cg8 h VAL 56 CO 0.03 0.28 -0.34 0.11 0.02 0.00 0.00 177.57 177.66 1cg8 h LYS 57 N 0.94 0.84 -0.30 1.57 1.57 -0.86 0.13 116.57 120.46 1cg8 h LYS 57 Ca 0.22 -0.41 -0.13 0.00 -1.87 0.00 0.00 60.65 58.46 1cg8 h LYS 57 Cb 0.17 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1cg8 h LYS 57 CO -0.02 1.05 -0.34 -0.22 -0.57 0.00 0.00 179.45 179.35 1cg8 h LYS 58 N 0.70 0.76 -0.17 3.15 3.64 -0.74 -2.30 116.57 121.60 1cg8 h LYS 58 Ca 0.07 -0.42 -0.19 0.00 -1.27 0.00 0.00 60.65 58.85 1cg8 h LYS 58 Cb 0.90 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.75 1cg8 h LYS 58 CO 0.08 1.04 -0.62 1.25 -2.27 0.00 0.00 179.45 178.93 1cg8 h HIS 59 N 0.51 0.96 -0.57 1.91 2.76 -1.14 -3.03 115.15 116.55 1cg8 h HIS 59 Ca 0.04 -0.40 -0.02 0.00 -2.20 0.00 0.00 60.37 57.80 1cg8 h HIS 59 Cb 0.92 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 29.70 1cg8 h HIS 59 CO 0.07 1.21 0.29 0.78 -1.30 0.00 0.00 177.93 178.98 1cg8 h GLY 60 N 0.44 0.85 1.03 5.26 0.00 -0.76 -1.75 103.07 108.14 1cg8 h GLY 60 Ca -0.03 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 46.85 1cg8 h GLY 60 CO 0.13 0.36 0.08 1.70 0.00 0.00 0.00 176.54 178.82 1cg8 h LYS 61 N 0.80 0.98 -0.39 4.80 3.64 -1.41 -2.27 116.57 122.72 1cg8 h LYS 61 Ca 0.20 -0.27 -0.09 0.00 -1.27 0.00 0.00 60.65 59.22 1cg8 h LYS 61 Cb 0.06 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1cg8 h LYS 61 CO -0.03 0.93 -0.12 0.00 -2.27 0.00 0.00 179.45 177.96 1cg8 h ARG 62 N 0.88 0.70 0.08 1.90 3.08 -1.30 0.04 114.38 119.76 1cg8 h ARG 62 Ca 0.18 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1cg8 h ARG 62 Cb 0.44 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1cg8 h ARG 62 CO 0.01 0.80 -0.04 0.28 -1.07 0.00 0.00 179.97 179.95 1cg8 h VAL 63 N 0.63 1.09 -0.50 2.04 2.07 -1.19 -1.75 116.25 118.63 1cg8 h VAL 63 Ca 0.11 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 66.97 1cg8 h VAL 63 Cb 0.58 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1cg8 h VAL 63 CO 0.04 0.15 0.10 0.24 0.02 0.00 0.00 177.57 178.12 1cg8 h MET 64 N -0.39 0.77 -0.35 1.57 2.86 -1.34 -0.55 114.93 117.50 1cg8 h MET 64 Ca -0.01 -0.16 -0.08 0.00 -2.06 0.00 0.00 59.70 57.39 1cg8 h MET 64 Cb 0.33 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 1cg8 h MET 64 CO 0.02 0.71 -0.12 -0.91 1.06 0.00 0.00 176.91 177.67 1cg8 h ASN 65 N 0.74 0.60 -0.37 1.22 -0.26 -0.94 -0.62 115.58 115.95 1cg8 h ASN 65 Ca 0.16 -0.17 -0.10 0.00 -0.56 0.00 0.00 56.30 55.64 1cg8 h ASN 65 Cb 0.30 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.39 1cg8 h ASN 65 CO 0.00 0.75 -0.16 0.00 -1.06 0.00 0.00 177.43 176.96 1cg8 h ALA 66 N 1.31 0.52 -0.46 -0.83 0.00 -0.50 -2.21 119.26 117.08 1cg8 h ALA 66 Ca 0.10 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1cg8 h ALA 66 Cb 0.54 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1cg8 h ALA 66 CO 0.03 0.44 0.15 -0.07 0.00 0.00 0.00 179.25 179.80 1cg8 h LEU 67 N 0.56 0.67 -0.90 0.00 3.38 -0.83 -1.75 115.31 116.44 1cg8 h LEU 67 Ca 0.08 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1cg8 h LEU 67 Cb 0.70 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1cg8 h LEU 67 CO 0.05 0.70 0.53 0.00 0.09 0.00 0.00 178.44 179.80 1cg8 h ALA 68 N 1.00 1.15 -0.12 1.53 0.00 -1.09 -2.51 119.26 119.22 1cg8 h ALA 68 Ca 0.15 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1cg8 h ALA 68 Cb 0.26 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1cg8 h ALA 68 CO -0.01 0.63 0.04 -0.44 0.00 0.00 0.00 179.25 179.48 1cg8 h ASP 69 N 1.25 0.05 -0.33 0.00 3.32 -1.15 -2.72 116.42 116.84 1cg8 h ASP 69 Ca 0.32 0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.45 1cg8 h ASP 69 Cb -0.02 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1cg8 h ASP 69 CO -0.06 0.05 0.23 0.00 -1.72 0.00 0.00 179.24 177.74 1cg8 h ALA 70 N 1.07 2.11 0.00 3.45 0.00 -0.92 -1.50 119.26 123.48 1cg8 h ALA 70 Ca 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1cg8 h ALA 70 Cb 0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1cg8 h ALA 70 CO -0.05 -0.19 -0.05 1.79 0.00 0.00 0.00 179.25 180.76 1cg8 h THR 71 N 0.16 0.30 -0.19 0.00 1.35 -1.12 -0.94 112.91 112.46 1cg8 h THR 71 Ca 0.15 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1cg8 h THR 71 Cb 0.40 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 1cg8 h THR 71 CO -0.02 0.05 0.00 1.41 -0.25 0.00 0.00 175.52 176.71 1cg8 n HIS 72 N -3.41 0.24 -2.66 4.73 -0.00 -0.56 -4.25 115.22 109.31 1cg8 n HIS 72 Ca -0.02 -0.12 -0.10 0.00 -0.00 0.00 0.00 57.72 57.49 1cg8 n HIS 72 Cb 0.18 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.20 1cg8 n HIS 72 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1cg8 n HIS 73 N 0.64 1.33 0.24 4.41 8.25 -0.36 -4.93 115.22 124.80 1cg8 n HIS 73 Ca 0.17 -2.76 0.13 0.00 -0.26 0.00 0.00 57.72 55.00 1cg8 n HIS 73 Cb 0.41 -0.35 0.50 0.00 1.12 0.00 0.00 29.99 31.68 1cg8 n HIS 73 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1cg8 h LEU 74 N 2.94 0.00 -0.52 2.41 3.38 -1.73 -3.05 115.31 118.74 1cg8 h LEU 74 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1cg8 h LEU 74 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1cg8 h LEU 74 CO 0.50 0.11 -0.15 0.47 0.09 0.00 0.00 178.44 179.46 1cg8 n ASP 75 N -3.22 0.95 -2.81 -0.43 8.00 -1.26 -4.27 116.55 113.51 1cg8 n ASP 75 Ca 0.01 -0.95 -0.10 0.00 0.71 0.00 0.00 54.79 54.45 1cg8 n ASP 75 Cb 0.40 0.05 0.06 0.00 -0.02 0.00 0.00 41.12 41.61 1cg8 n ASP 75 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1cg8 n ASN 76 N -0.55 -1.12 0.23 -2.24 2.85 -1.20 -4.98 115.26 108.24 1cg8 n ASN 76 Ca 0.15 -3.15 0.07 0.00 -0.11 0.00 0.00 54.58 51.54 1cg8 n ASN 76 Cb 0.32 0.88 0.54 0.00 1.24 0.00 0.00 39.78 42.77 1cg8 n ASN 76 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1cg8 h LEU 77 N 2.77 0.00 0.27 1.20 5.85 -1.71 -2.79 115.31 120.89 1cg8 h LEU 77 Ca -0.10 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1cg8 h LEU 77 Cb 1.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1cg8 h LEU 77 CO 0.21 0.21 -0.13 -0.74 -0.34 0.00 0.00 178.44 177.65 1cg8 h HIS 78 N 0.00 -0.33 -0.96 1.25 2.76 -1.94 -0.68 115.15 115.24 1cg8 h HIS 78 Ca -0.00 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1cg8 h HIS 78 Cb 0.44 0.11 -0.05 0.00 1.55 0.00 0.00 27.41 29.46 1cg8 h HIS 78 CO 0.00 -0.10 0.61 1.25 -1.30 0.00 0.00 177.93 178.40 1cg8 h LEU 79 N -0.52 1.12 -0.31 0.26 5.85 -1.96 -1.34 115.31 118.41 1cg8 h LEU 79 Ca -0.04 -0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.52 1cg8 h LEU 79 Cb 0.39 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1cg8 h LEU 79 CO 0.06 0.83 -0.28 -0.74 -0.34 0.00 0.00 178.44 177.97 1cg8 h HIS 80 N 1.31 0.89 -0.02 1.25 2.76 -1.41 -3.27 115.15 116.66 1cg8 h HIS 80 Ca 0.35 -0.26 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 1cg8 h HIS 80 Cb -0.11 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 28.66 1cg8 h HIS 80 CO 0.00 1.02 -0.01 1.28 -1.30 0.00 0.00 177.93 178.92 1cg8 n LEU 81 N -4.24 1.55 -0.23 0.26 4.77 -0.27 -4.57 117.00 114.27 1cg8 n LEU 81 Ca -0.03 -0.51 -0.01 0.00 -0.03 0.00 0.00 56.01 55.42 1cg8 n LEU 81 Cb 0.47 -0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.61 1cg8 n LEU 81 CO 0.45 0.26 0.70 -0.08 -1.33 0.00 0.00 177.39 177.39 1cg8 h GLU 82 N 2.41 -0.04 -0.53 3.23 4.81 -1.30 -0.70 114.58 122.45 1cg8 h GLU 82 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1cg8 h GLU 82 Cb 0.52 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 1cg8 h GLU 82 CO 0.00 -0.03 0.17 -0.44 -0.73 0.00 0.00 179.01 177.98 1cg8 h ASP 83 N -0.05 0.77 0.29 1.04 5.19 -1.85 -2.13 116.42 119.68 1cg8 h ASP 83 Ca 0.31 -0.20 -0.07 0.00 -0.62 0.00 0.00 57.03 56.44 1cg8 h ASP 83 Cb 0.52 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.82 1cg8 h ASP 83 CO -0.71 0.77 -0.31 -0.07 -3.12 0.00 0.00 179.24 175.80 1cg8 h LEU 84 N 0.73 0.04 -0.13 1.55 3.38 -1.73 -0.21 115.31 118.94 1cg8 h LEU 84 Ca 0.17 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1cg8 h LEU 84 Cb 0.27 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1cg8 h LEU 84 CO -0.01 0.36 0.01 0.00 0.09 0.00 0.00 178.44 178.89 1cg8 h ALA 85 N 1.65 0.17 -0.46 1.53 0.00 -0.80 -0.24 119.26 121.11 1cg8 h ALA 85 Ca 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1cg8 h ALA 85 Cb 0.58 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1cg8 h ALA 85 CO 0.04 -0.15 0.29 -0.09 0.00 0.00 0.00 179.25 179.34 1cg8 h ARG 86 N -0.02 0.62 0.31 0.00 2.43 -1.01 0.96 114.38 117.67 1cg8 h ARG 86 Ca 0.04 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1cg8 h ARG 86 Cb 0.32 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 1cg8 h ARG 86 CO 0.00 0.44 -0.27 -0.22 -1.51 0.00 0.00 179.97 178.41 1cg8 h LYS 87 N 0.62 -0.57 -0.12 0.20 1.63 -0.94 -0.73 116.57 116.65 1cg8 h LYS 87 Ca 0.17 0.04 -0.20 0.00 -0.85 0.00 0.00 60.65 59.80 1cg8 h LYS 87 Cb -0.03 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 1cg8 h LYS 87 CO -0.03 -0.38 -0.75 0.45 -3.45 0.00 0.00 179.45 175.29 1cg8 h HIS 88 N -0.60 0.82 0.00 1.91 3.86 -0.80 -1.44 115.15 118.90 1cg8 h HIS 88 Ca -0.02 -0.36 -0.01 0.00 -1.16 0.00 0.00 60.37 58.83 1cg8 h HIS 88 Cb 0.53 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 28.88 1cg8 h HIS 88 CO -0.16 1.15 -0.17 0.78 0.86 0.00 0.00 177.93 180.39 1cg8 h GLY 89 N 0.92 0.00 0.38 2.45 0.00 0.97 0.80 103.07 108.59 1cg8 h GLY 89 Ca -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 1cg8 h GLY 89 CO 0.14 0.00 -0.07 0.83 0.00 0.00 0.00 176.54 177.44 1cg8 h GLU 90 N -1.00 0.07 0.19 4.80 5.08 -1.28 -3.17 114.58 119.27 1cg8 h GLU 90 Ca -0.01 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1cg8 h GLU 90 Cb 0.27 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1cg8 h GLU 90 CO -0.01 0.75 -0.09 -0.91 -1.00 0.00 0.00 179.01 177.75 1cg8 h ASN 91 N -0.59 -0.22 1.22 1.42 2.35 -1.29 -3.38 115.58 115.09 1cg8 h ASN 91 Ca -0.01 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1cg8 h ASN 91 Cb 0.77 0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.19 1cg8 h ASN 91 CO 0.01 0.24 -0.20 0.18 -1.65 0.00 0.00 177.43 176.02 1cg8 n LEU 92 N -4.91 0.69 -3.67 1.61 4.77 -0.55 -4.96 117.00 109.98 1cg8 n LEU 92 Ca -0.03 0.45 -0.21 0.00 -0.03 0.00 0.00 56.01 56.19 1cg8 n LEU 92 Cb 0.10 -0.29 0.04 0.00 -2.33 0.00 0.00 43.42 40.94 1cg8 n LEU 92 CO 0.08 -0.12 -0.05 0.18 -1.33 0.00 0.00 177.39 176.15 1cg8 n LEU 93 N -2.12 -3.21 -4.66 2.23 4.77 -0.91 -4.90 117.00 108.20 1cg8 n LEU 93 Ca 0.05 -0.80 -0.43 0.00 -0.03 0.00 0.00 56.01 54.81 1cg8 n LEU 93 Cb 0.42 -2.72 -0.02 0.00 -2.33 0.00 0.00 43.42 38.77 1cg8 n LEU 93 CO 0.32 0.40 1.04 -0.69 -1.33 0.00 0.00 177.39 177.14 1cg8 s VAL 94 N -3.64 4.34 0.00 4.08 1.01 0.23 -4.96 120.40 121.46 1cg8 s VAL 94 Ca 0.00 1.63 -0.32 0.00 0.00 0.00 0.00 61.98 63.29 1cg8 s VAL 94 Cb -0.00 -4.05 -0.10 0.00 0.00 0.00 0.00 36.38 32.23 1cg8 s VAL 94 CO 0.80 -0.13 1.91 -0.67 0.00 0.00 0.00 175.10 177.02 1cg8 n ASP 95 N 6.40 3.85 -0.34 3.32 -0.08 -1.26 -4.83 116.55 123.61 1cg8 n ASP 95 Ca 0.13 0.94 0.26 0.00 -1.51 0.00 0.00 54.79 54.61 1cg8 n ASP 95 Cb 0.45 -1.47 0.54 0.00 2.34 0.00 0.00 41.12 42.99 1cg8 n ASP 95 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1cg8 h PRO 96 N 9.67 0.31 -0.28 -0.67 0.11 -1.97 0.17 132.00 139.35 1cg8 h PRO 96 Ca -0.49 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 1cg8 h PRO 96 Cb 1.25 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1cg8 h PRO 96 CO 0.94 0.21 0.17 1.25 -0.21 0.00 0.00 178.00 180.36 1cg8 h HIS 97 N 0.32 0.35 -0.40 0.65 2.76 -1.99 -2.27 115.15 114.57 1cg8 h HIS 97 Ca 0.63 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.79 1cg8 h HIS 97 Cb 1.71 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 30.53 1cg8 h HIS 97 CO -0.00 0.23 0.20 -0.91 -1.30 0.00 0.00 177.93 176.15 1cg8 h ASN 98 N 0.38 0.49 -0.65 3.26 2.35 -1.02 -1.80 115.58 118.60 1cg8 h ASN 98 Ca 0.10 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.78 1cg8 h ASN 98 Cb -0.02 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 1cg8 h ASN 98 CO -0.02 0.42 0.29 -0.26 -1.65 0.00 0.00 177.43 176.21 1cg8 h PHE 99 N 0.56 0.98 -0.20 1.19 0.04 -1.51 -1.00 116.94 117.01 1cg8 h PHE 99 Ca 0.14 -0.05 -0.17 0.00 2.80 0.00 0.00 57.97 60.69 1cg8 h PHE 99 Cb 0.06 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 37.91 1cg8 h PHE 99 CO 0.00 0.74 -0.54 1.25 -0.60 0.00 0.00 178.31 179.16 1cg8 h HIS 100 N 0.96 0.93 -1.00 -0.55 2.76 -1.44 -0.63 115.15 116.18 1cg8 h HIS 100 Ca 0.23 -0.36 0.01 0.00 -2.20 0.00 0.00 60.37 58.05 1cg8 h HIS 100 Cb 0.15 -0.16 -0.05 0.00 1.55 0.00 0.00 27.41 28.90 1cg8 h HIS 100 CO 0.01 1.16 0.66 -0.07 -1.30 0.00 0.00 177.93 178.40 1cg8 h LEU 101 N 0.42 1.14 -0.34 0.26 3.38 -1.17 -1.94 115.31 117.08 1cg8 h LEU 101 Ca -0.01 -0.03 -0.18 0.00 0.09 0.00 0.00 57.88 57.75 1cg8 h LEU 101 Cb 1.16 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 1cg8 h LEU 101 CO 0.12 0.82 -0.49 0.15 0.09 0.00 0.00 178.44 179.13 1cg8 h PHE 102 N 1.35 1.11 -0.90 1.13 3.57 -1.13 -2.97 116.94 119.09 1cg8 h PHE 102 Ca 0.37 -0.37 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1cg8 h PHE 102 Cb -0.14 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 38.34 1cg8 h PHE 102 CO -0.00 1.20 0.60 0.00 -2.23 0.00 0.00 178.31 177.88 1cg8 h ALA 103 N 0.72 1.16 0.00 2.41 0.00 -0.76 -0.61 119.26 122.18 1cg8 h ALA 103 Ca 0.03 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1cg8 h ALA 103 Cb 1.09 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1cg8 h ALA 103 CO 0.11 0.52 -0.16 -0.44 0.00 0.00 0.00 179.25 179.28 1cg8 h ASP 104 N 1.20 0.00 0.11 0.00 3.32 -1.27 -1.96 116.42 117.82 1cg8 h ASP 104 Ca 0.34 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.15 1cg8 h ASP 104 Cb -0.10 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.48 1cg8 h ASP 104 CO -0.09 0.16 -1.01 0.00 -1.72 0.00 0.00 179.24 176.58 1cg8 h ILE 106 N 0.01 1.24 -0.82 0.00 2.04 -0.80 -1.92 117.51 117.25 1cg8 h ILE 106 Ca -0.16 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 1cg8 h ILE 106 Cb 1.74 -0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 1cg8 h ILE 106 CO 0.19 0.24 0.46 0.58 0.00 0.00 0.00 178.15 179.62 1cg8 h VAL 107 N 1.20 1.24 -0.30 1.67 2.07 -1.45 -1.47 116.25 119.20 1cg8 h VAL 107 Ca 0.32 -0.58 -0.15 0.00 0.82 0.00 0.00 66.70 67.12 1cg8 h VAL 107 Cb -0.08 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 1cg8 h VAL 107 CO -0.06 0.26 -0.40 0.58 0.02 0.00 0.00 177.57 177.97 1cg8 h VAL 108 N 1.14 1.29 -0.78 2.57 2.07 -1.42 -1.17 116.25 119.95 1cg8 h VAL 108 Ca 0.29 -1.58 0.02 0.00 0.82 0.00 0.00 66.70 66.25 1cg8 h VAL 108 Cb 0.01 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 1cg8 h VAL 108 CO -0.05 0.51 0.51 0.74 0.02 0.00 0.00 177.57 179.30 1cg8 h THR 109 N 0.60 1.16 -0.45 2.57 2.02 -0.88 -0.77 112.91 117.16 1cg8 h THR 109 Ca 0.05 -0.35 -0.13 0.00 0.77 0.00 0.00 66.41 66.75 1cg8 h THR 109 Cb 0.95 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1cg8 h THR 109 CO 0.09 0.19 -0.22 -0.07 0.37 0.00 0.00 175.52 175.87 1cg8 h LEU 110 N 1.02 0.95 -1.17 2.58 4.07 -1.07 -2.42 115.31 119.27 1cg8 h LEU 110 Ca 0.30 -0.36 -0.07 0.00 0.08 0.00 0.00 57.88 57.83 1cg8 h LEU 110 Cb -0.06 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.40 1cg8 h LEU 110 CO -0.08 1.13 -0.15 0.00 -1.08 0.00 0.00 178.44 178.25 1cg8 h ALA 111 N 0.93 1.31 0.00 1.53 0.00 -0.54 0.14 119.26 122.63 1cg8 h ALA 111 Ca 0.10 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 1cg8 h ALA 111 Cb 0.78 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1cg8 h ALA 111 CO 0.06 0.46 -0.59 0.28 0.00 0.00 0.00 179.25 179.46 1cg8 h VAL 112 N 0.36 1.05 0.00 0.00 2.07 -1.06 -3.38 116.25 115.30 1cg8 h VAL 112 Ca 0.07 -2.39 -0.13 0.00 0.82 0.00 0.00 66.70 65.06 1cg8 h VAL 112 Cb 0.49 2.45 -0.03 0.00 -1.52 0.00 0.00 31.29 32.69 1cg8 h VAL 112 CO 0.03 0.58 -1.87 0.59 0.02 0.00 0.00 177.57 176.92 1cg8 n ASN 113 N -3.29 1.35 -4.80 0.57 3.02 -0.92 -5.00 115.26 106.18 1cg8 n ASN 113 Ca 0.01 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.22 1cg8 n ASN 113 Cb 0.75 1.30 -0.06 0.00 -0.61 0.00 0.00 39.78 41.16 1cg8 n ASN 113 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1cg8 s LEU 114 N -4.60 4.05 0.22 3.41 1.43 0.48 -4.96 118.68 118.72 1cg8 s LEU 114 Ca -0.07 1.81 -0.08 0.00 -1.03 0.00 0.00 54.13 54.77 1cg8 s LEU 114 Cb 0.07 -4.37 0.24 0.00 0.03 0.00 0.00 46.19 42.16 1cg8 s LEU 114 CO 0.64 -0.38 1.86 -0.61 0.23 0.00 0.00 176.35 178.09 1cg8 h GLN 115 N 2.24 0.91 -3.63 1.70 5.75 -1.92 -3.43 115.11 116.73 1cg8 h GLN 115 Ca -0.48 -0.05 -0.18 0.00 -0.15 0.00 0.00 58.65 57.78 1cg8 h GLN 115 Cb 1.19 -0.21 -0.24 0.00 1.07 0.00 0.00 27.48 29.30 1cg8 h GLN 115 CO 0.62 0.60 -0.60 0.00 -2.65 0.00 0.00 178.83 176.80 1cg8 s ALA 116 N -6.10 -0.17 -0.42 3.38 0.00 -1.26 -5.10 121.76 112.08 1cg8 s ALA 116 Ca -0.13 -0.07 0.06 0.00 0.00 0.00 0.00 51.96 51.82 1cg8 s ALA 116 Cb 0.16 0.00 0.20 0.00 0.00 0.00 0.00 23.12 23.49 1cg8 s ALA 116 CO 0.78 -0.12 0.47 0.34 0.00 0.00 0.00 175.76 177.23 1cg8 n PHE 117 N 2.21 -1.23 -1.28 0.00 7.35 -1.26 -5.04 117.46 118.20 1cg8 n PHE 117 Ca -0.18 -3.07 -0.30 0.00 -0.76 0.00 0.00 57.45 53.13 1cg8 n PHE 117 Cb 0.57 0.29 0.11 0.00 0.35 0.00 0.00 39.48 40.80 1cg8 n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1cg8 s THR 118 N -0.20 3.00 0.38 -2.13 -4.23 -1.26 -4.76 115.64 106.43 1cg8 s THR 118 Ca 0.33 0.33 0.10 0.00 -1.18 0.00 0.00 61.69 61.26 1cg8 s THR 118 Cb 0.09 -2.85 0.32 0.00 1.34 0.00 0.00 72.50 71.39 1cg8 s THR 118 CO -0.16 -0.42 1.91 -0.65 -0.54 0.00 0.00 174.62 174.76 1cg8 h PRO 119 N -1.31 0.62 -0.45 3.99 0.11 -2.00 -0.40 132.00 132.55 1cg8 h PRO 119 Ca -0.47 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 1cg8 h PRO 119 Cb 1.26 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1cg8 h PRO 119 CO 0.54 0.41 0.03 0.28 -0.21 0.00 0.00 178.00 179.05 1cg8 h VAL 120 N 0.64 1.26 -0.26 3.15 2.07 -1.99 0.11 116.25 121.22 1cg8 h VAL 120 Ca 0.38 -0.99 -0.08 0.00 0.82 0.00 0.00 66.70 66.83 1cg8 h VAL 120 Cb 0.59 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1cg8 h VAL 120 CO -0.15 0.34 -0.15 0.74 0.02 0.00 0.00 177.57 178.38 1cg8 h THR 121 N 0.63 1.30 -0.79 2.57 2.02 -1.77 -2.45 112.91 114.41 1cg8 h THR 121 Ca 0.13 -1.25 0.05 0.00 0.77 0.00 0.00 66.41 66.12 1cg8 h THR 121 Cb 0.45 1.55 -0.06 0.00 -1.74 0.00 0.00 68.15 68.35 1cg8 h THR 121 CO 0.02 0.39 0.48 -0.74 0.37 0.00 0.00 175.52 176.04 1cg8 h HIS 122 N 0.30 0.90 -0.22 3.16 6.17 -0.96 -1.69 115.15 122.81 1cg8 h HIS 122 Ca 0.06 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.17 1cg8 h HIS 122 Cb 0.67 -0.29 -0.01 0.00 2.52 0.00 0.00 27.41 30.30 1cg8 h HIS 122 CO 0.06 0.47 0.14 0.00 0.71 0.00 0.00 177.93 179.31 1cg8 h ALA 124 N 1.08 0.51 -0.57 0.00 0.00 -1.01 -1.83 119.26 117.44 1cg8 h ALA 124 Ca 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1cg8 h ALA 124 Cb -0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1cg8 h ALA 124 CO -0.02 -0.03 0.26 0.28 0.00 0.00 0.00 179.25 179.74 1cg8 h VAL 125 N 0.54 1.21 -0.48 0.00 2.07 -1.14 -1.37 116.25 117.08 1cg8 h VAL 125 Ca 0.15 -0.61 0.02 0.00 0.82 0.00 0.00 66.70 67.07 1cg8 h VAL 125 Cb -0.05 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 1cg8 h VAL 125 CO -0.03 0.24 0.29 -0.78 0.02 0.00 0.00 177.57 177.32 1cg8 h ASP 126 N 0.78 0.48 0.02 0.57 3.58 -0.89 0.51 116.42 121.47 1cg8 h ASP 126 Ca 0.20 -0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.54 1cg8 h ASP 126 Cb 0.14 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 1cg8 h ASP 126 CO -0.02 0.35 -0.33 0.11 -2.88 0.00 0.00 179.24 176.46 1cg8 h LYS 127 N 0.59 0.44 -0.30 0.28 1.79 -1.16 -0.62 116.57 117.58 1cg8 h LYS 127 Ca 0.19 -0.19 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 1cg8 h LYS 127 Cb -0.01 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 1cg8 h LYS 127 CO -0.07 0.72 0.03 0.35 -1.08 0.00 0.00 179.45 179.39 1cg8 h PHE 128 N 0.37 0.54 -0.14 -1.35 3.57 -0.74 -1.78 116.94 117.42 1cg8 h PHE 128 Ca 0.05 -0.08 -0.09 0.00 3.53 0.00 0.00 57.97 61.37 1cg8 h PHE 128 Cb 0.76 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 1cg8 h PHE 128 CO 0.02 0.61 -0.32 -0.07 -2.23 0.00 0.00 178.31 176.33 1cg8 h LEU 129 N 0.32 0.27 -1.01 0.59 3.38 -0.74 -1.94 115.31 116.18 1cg8 h LEU 129 Ca 0.09 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1cg8 h LEU 129 Cb 0.37 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1cg8 h LEU 129 CO 0.01 0.58 -0.04 -0.08 0.09 0.00 0.00 178.44 178.99 1cg8 h GLU 130 N 0.23 0.66 -0.36 1.13 4.81 -0.89 -0.10 114.58 120.06 1cg8 h GLU 130 Ca 0.03 -0.18 -0.10 0.00 -0.13 0.00 0.00 59.36 58.98 1cg8 h GLU 130 Cb 0.68 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1cg8 h GLU 130 CO 0.05 0.71 -0.16 -0.07 -0.73 0.00 0.00 179.01 178.81 1cg8 h LEU 131 N 0.62 0.78 -0.35 1.64 3.38 -0.76 -2.43 115.31 118.18 1cg8 h LEU 131 Ca 0.12 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 1cg8 h LEU 131 Cb 0.45 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1cg8 h LEU 131 CO 0.02 1.00 0.19 0.58 0.09 0.00 0.00 178.44 180.32 1cg8 h VAL 132 N 0.55 1.15 -0.65 1.22 2.07 -0.97 -1.65 116.25 117.95 1cg8 h VAL 132 Ca 0.08 -0.39 0.06 0.00 0.82 0.00 0.00 66.70 67.27 1cg8 h VAL 132 Cb 0.70 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 1cg8 h VAL 132 CO 0.05 0.15 0.36 0.00 0.02 0.00 0.00 177.57 178.15 1cg8 h ALA 133 N 1.05 0.87 -0.59 1.67 0.00 -0.96 -0.53 119.26 120.76 1cg8 h ALA 133 Ca 0.12 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1cg8 h ALA 133 Cb 0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1cg8 h ALA 133 CO -0.02 0.04 0.30 -0.92 0.00 0.00 0.00 179.25 178.65 1cg8 h TYR 134 N 0.67 0.84 -0.09 0.00 3.20 -1.17 -2.49 116.97 117.94 1cg8 h TYR 134 Ca 0.29 -0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.98 1cg8 h TYR 134 Cb 0.18 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 1cg8 h TYR 134 CO -0.08 0.63 -0.60 0.93 -1.64 0.00 0.00 178.16 177.40 1cg8 h GLU 135 N 0.81 0.30 0.00 1.82 4.39 -0.77 -2.92 114.58 118.20 1cg8 h GLU 135 Ca 0.21 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1cg8 h GLU 135 Cb 0.09 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1cg8 h GLU 135 CO -0.03 0.81 0.00 1.28 -1.16 0.00 0.00 179.01 179.91 1cg8 n LEU 136 N -3.89 0.10 -0.88 1.33 4.77 -0.25 -2.50 117.00 115.67 1cg8 n LEU 136 Ca -0.03 0.52 0.10 0.00 -0.03 0.00 0.00 56.01 56.57 1cg8 n LEU 136 Cb 0.62 -0.49 0.13 0.00 -2.33 0.00 0.00 43.42 41.34 1cg8 n LEU 136 CO 0.45 -0.15 0.60 -1.20 -1.33 0.00 0.00 177.39 175.76 1cg8 n SER 137 N -1.60 2.89 0.22 -1.43 7.64 -0.96 -4.30 113.62 116.09 1cg8 n SER 137 Ca 0.05 -1.87 0.15 0.00 1.01 0.00 0.00 58.87 58.21 1cg8 n SER 137 Cb 0.27 -0.10 0.81 0.00 -1.01 0.00 0.00 64.21 64.18 1cg8 n SER 137 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1cg8 h SER 138 N 3.85 0.00 0.47 6.43 4.64 -1.38 -2.08 113.55 125.47 1cg8 h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1cg8 h SER 138 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1cg8 h SER 138 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1cg8 n TYR 140 N -1.47 0.00 0.81 0.00 4.01 -0.78 -4.90 117.16 114.83 1cg8 n TYR 140 Ca 0.04 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.88 1cg8 n TYR 140 Cb 0.16 -0.08 0.08 0.00 -0.31 0.00 0.00 39.34 39.19 1cg8 n TYR 140 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94