#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sb0 n VAL 2 N 0.00 3.24 -0.37 1.61 0.24 -1.26 -4.80 118.33 116.99 1sb0 n VAL 2 Ca 0.00 -1.86 -0.06 0.00 -2.04 0.00 0.00 64.34 60.38 1sb0 n VAL 2 Cb 0.00 -2.27 -0.04 0.00 -1.47 0.00 0.00 33.84 30.06 1sb0 n VAL 2 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1sb0 n ARG 3 N 3.46 -0.32 -0.26 7.34 0.63 -1.26 -0.60 116.66 125.64 1sb0 n ARG 3 Ca 0.56 1.38 0.09 0.00 -0.92 0.00 0.00 57.85 58.96 1sb0 n ARG 3 Cb 0.36 -2.03 0.24 0.00 0.45 0.00 0.00 32.46 31.48 1sb0 n ARG 3 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1sb0 n LYS 4 N -5.21 2.24 0.00 -0.14 3.00 -1.26 -4.98 118.16 111.81 1sb0 n LYS 4 Ca 0.05 -1.93 0.00 0.00 -0.00 0.00 0.00 58.31 56.43 1sb0 n LYS 4 Cb 0.29 -1.42 0.00 0.00 0.00 0.00 0.00 35.03 33.90 1sb0 n LYS 4 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1sb0 n GLY 5 N 1.36 1.24 0.42 3.14 0.00 0.23 -4.02 105.19 107.55 1sb0 n GLY 5 Ca 0.18 0.26 0.22 0.00 0.00 0.00 0.00 46.02 46.68 1sb0 n GLY 5 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1sb0 h TRP 6 N 0.00 0.53 -0.61 1.61 5.08 -1.94 -0.21 115.95 120.42 1sb0 h TRP 6 Ca 0.00 0.02 0.19 0.00 1.08 0.00 0.00 58.89 60.17 1sb0 h TRP 6 Cb 0.00 -0.16 -0.11 0.00 -3.00 0.00 0.00 29.16 25.89 1sb0 h TRP 6 CO 0.00 0.10 0.08 1.58 -1.28 0.00 0.00 178.44 178.92 1sb0 n HIS 7 N -4.52 0.46 -0.32 0.12 -0.00 -1.26 -1.01 115.22 108.70 1sb0 n HIS 7 Ca 0.22 0.73 0.19 0.00 0.46 0.00 0.00 57.72 59.32 1sb0 n HIS 7 Cb 0.82 -1.00 0.45 0.00 -0.12 0.00 0.00 29.99 30.13 1sb0 n HIS 7 CO 0.00 0.00 0.00 1.05 0.46 0.00 0.00 176.34 177.85 1sb0 h GLU 8 N 0.00 0.50 0.02 1.57 4.11 -1.32 -1.44 114.58 118.02 1sb0 h GLU 8 Ca 0.40 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.80 1sb0 h GLU 8 Cb 0.90 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1sb0 h GLU 8 CO -0.55 0.33 -0.01 0.45 0.07 0.00 0.00 179.01 179.30 1sb0 h HIS 9 N 0.51 -0.03 -0.61 2.06 3.86 -1.30 -3.40 115.15 116.24 1sb0 h HIS 9 Ca 0.57 -0.00 -0.64 0.00 -1.16 0.00 0.00 60.37 59.15 1sb0 h HIS 9 Cb 1.25 0.01 -0.06 0.00 1.06 0.00 0.00 27.41 29.67 1sb0 h HIS 9 CO -0.00 0.64 2.22 0.28 0.86 0.00 0.00 177.93 181.93 1sb0 n VAL 10 N -4.71 3.48 -1.57 2.45 0.31 -0.54 -4.93 118.33 112.82 1sb0 n VAL 10 Ca -0.07 -3.51 -0.30 0.00 -0.01 0.00 0.00 64.34 60.44 1sb0 n VAL 10 Cb 0.33 -2.37 0.07 0.00 -0.91 0.00 0.00 33.84 30.97 1sb0 n VAL 10 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1sb0 s THR 11 N 5.04 3.45 0.38 2.52 -4.23 -1.25 -4.74 115.64 116.81 1sb0 s THR 11 Ca 0.55 0.47 0.15 0.00 -1.18 0.00 0.00 61.69 61.68 1sb0 s THR 11 Cb 0.06 -3.22 0.37 0.00 1.34 0.00 0.00 72.50 71.04 1sb0 s THR 11 CO 0.06 -0.61 1.79 -0.61 -0.54 0.00 0.00 174.62 174.70 1sb0 h GLN 12 N -0.94 0.47 -0.27 3.99 5.75 -1.93 0.23 115.11 122.41 1sb0 h GLN 12 Ca -0.46 -0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.04 1sb0 h GLN 12 Cb 1.25 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 29.66 1sb0 h GLN 12 CO 0.58 0.31 0.10 -0.44 -2.65 0.00 0.00 178.83 176.73 1sb0 h ASP 13 N 0.48 0.12 -0.38 -0.69 5.19 -1.97 0.26 116.42 119.42 1sb0 h ASP 13 Ca 0.56 0.03 -0.07 0.00 -0.62 0.00 0.00 57.03 56.93 1sb0 h ASP 13 Cb 1.30 0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.80 1sb0 h ASP 13 CO -0.29 0.10 -0.05 0.25 -3.12 0.00 0.00 179.24 176.13 1sb0 h LEU 14 N 0.22 0.69 -0.50 1.55 5.85 -1.35 0.41 115.31 122.18 1sb0 h LEU 14 Ca 0.12 -0.34 0.10 0.00 0.84 0.00 0.00 57.88 58.60 1sb0 h LEU 14 Cb 0.08 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 40.84 1sb0 h LEU 14 CO -0.11 0.87 0.00 0.03 -0.34 0.00 0.00 178.44 178.88 1sb0 h ARG 15 N 0.51 0.11 -0.28 1.25 3.08 -0.86 0.14 114.38 118.34 1sb0 h ARG 15 Ca 0.10 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.15 1sb0 h ARG 15 Cb 0.54 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 1sb0 h ARG 15 CO 0.03 0.07 0.18 0.77 -1.07 0.00 0.00 179.97 179.95 1sb0 h SER 16 N 0.12 0.31 -0.50 7.04 0.02 -0.23 0.10 113.55 120.41 1sb0 h SER 16 Ca 0.25 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.22 1sb0 h SER 16 Cb 0.38 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 1sb0 h SER 16 CO -0.42 0.22 0.29 -0.74 -1.14 0.00 0.00 176.83 175.05 1sb0 h HIS 17 N 0.37 0.55 -0.37 3.45 6.17 -0.15 0.46 115.15 125.63 1sb0 h HIS 17 Ca 0.10 0.02 -0.02 0.00 0.71 0.00 0.00 60.37 61.18 1sb0 h HIS 17 Cb -0.03 -0.18 -0.02 0.00 2.52 0.00 0.00 27.41 29.71 1sb0 h HIS 17 CO -0.06 0.31 0.15 -0.07 0.71 0.00 0.00 177.93 178.97 1sb0 h LEU 18 N 0.59 0.50 -0.45 0.26 3.38 -0.34 0.54 115.31 119.78 1sb0 h LEU 18 Ca 0.20 -0.16 0.09 0.00 0.09 0.00 0.00 57.88 58.10 1sb0 h LEU 18 Cb 0.03 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 40.56 1sb0 h LEU 18 CO -0.09 0.52 -0.11 0.58 0.09 0.00 0.00 178.44 179.42 1sb0 h VAL 19 N 0.45 0.55 -0.36 1.22 2.07 -0.49 0.21 116.25 119.89 1sb0 h VAL 19 Ca 0.12 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.70 1sb0 h VAL 19 Cb 0.17 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 1sb0 h VAL 19 CO -0.01 0.00 0.03 -0.74 0.02 0.00 0.00 177.57 176.87 1sb0 h HIS 20 N -0.00 0.03 -0.91 1.57 -0.00 -0.31 -0.54 115.15 114.99 1sb0 h HIS 20 Ca 0.22 0.02 0.09 0.00 -0.00 0.00 0.00 60.37 60.70 1sb0 h HIS 20 Cb 0.33 0.04 -0.07 0.00 -0.00 0.00 0.00 27.41 27.71 1sb0 h HIS 20 CO -0.39 -0.04 0.56 0.87 -0.00 0.00 0.00 177.93 178.93 1sb0 h LYS 21 N 0.13 0.94 0.06 5.26 1.79 0.18 0.94 116.57 125.87 1sb0 h LYS 21 Ca 0.17 -0.06 0.02 0.00 -2.18 0.00 0.00 60.65 58.61 1sb0 h LYS 21 Cb 0.23 -0.21 -0.04 0.00 -1.58 0.00 0.00 32.23 30.63 1sb0 h LYS 21 CO -0.27 0.62 -0.25 -0.07 -1.08 0.00 0.00 179.45 178.41 1sb0 h LEU 22 N 0.96 -0.71 -0.12 2.94 3.38 0.53 0.21 115.31 122.50 1sb0 h LEU 22 Ca 0.42 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.53 1sb0 h LEU 22 Cb 0.30 0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 1sb0 h LEU 22 CO -0.22 -0.32 -0.21 0.58 0.09 0.00 0.00 178.44 178.36 1sb0 h VAL 23 N -0.42 0.48 0.08 1.22 2.07 -0.06 -0.95 116.25 118.68 1sb0 h VAL 23 Ca 0.05 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.57 1sb0 h VAL 23 Cb 0.47 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1sb0 h VAL 23 CO -0.18 0.00 -0.11 1.56 0.02 0.00 0.00 177.57 178.86 1sb0 h GLN 24 N -0.27 -0.22 -0.52 1.57 1.08 -0.61 0.37 115.11 116.51 1sb0 h GLN 24 Ca 0.10 0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.28 1sb0 h GLN 24 Cb 0.41 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.86 1sb0 h GLN 24 CO -0.28 -0.14 0.19 0.00 -0.95 0.00 0.00 178.83 177.65 1sb0 h ALA 25 N 0.67 1.35 0.04 3.87 0.00 -0.28 -0.43 119.26 124.49 1sb0 h ALA 25 Ca 0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1sb0 h ALA 25 Cb 0.23 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1sb0 h ALA 25 CO -0.05 0.48 -0.02 0.82 0.00 0.00 0.00 179.25 180.48 1sb0 h ILE 26 N 0.75 1.33 -2.49 0.00 2.04 -1.09 -3.45 117.51 114.60 1sb0 h ILE 26 Ca 0.18 -1.54 -0.54 0.00 1.00 0.00 0.00 64.86 63.95 1sb0 h ILE 26 Cb 0.18 2.31 -0.38 0.00 -0.74 0.00 0.00 36.82 38.19 1sb0 h ILE 26 CO -0.01 0.37 -0.82 0.12 0.00 0.00 0.00 178.15 177.81 1sb0 s PHE 27 N -3.25 0.52 0.06 1.37 2.19 0.13 -5.06 117.98 113.93 1sb0 s PHE 27 Ca -0.16 -1.44 -0.32 0.00 0.33 0.00 0.00 56.93 55.34 1sb0 s PHE 27 Cb -0.00 -0.82 -0.11 0.00 -1.31 0.00 0.00 43.02 40.77 1sb0 s PHE 27 CO 0.60 -0.85 1.83 -2.30 1.83 0.00 0.00 175.22 176.33 1sb0 n PRO 28 N 4.15 2.53 -3.21 10.12 -0.02 -0.22 -3.83 135.00 144.52 1sb0 n PRO 28 Ca 0.11 0.92 -0.40 0.00 -2.02 0.00 0.00 63.50 62.11 1sb0 n PRO 28 Cb 0.39 -2.79 -0.07 0.00 -0.02 0.00 0.00 33.50 31.00 1sb0 n PRO 28 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1sb0 s THR 29 N 3.06 5.06 0.31 3.45 -4.23 -1.26 -4.97 115.64 117.05 1sb0 s THR 29 Ca 0.85 0.92 0.07 0.00 -1.18 0.00 0.00 61.69 62.36 1sb0 s THR 29 Cb -0.57 -3.85 0.30 0.00 1.34 0.00 0.00 72.50 69.73 1sb0 s THR 29 CO 0.42 0.08 1.73 -0.65 -0.54 0.00 0.00 174.62 175.66 1sb0 h PRO 30 N 8.00 0.57 -3.20 3.99 0.11 -2.01 -3.41 132.00 136.05 1sb0 h PRO 30 Ca -0.29 -0.03 -0.20 0.00 0.11 0.00 0.00 66.00 65.59 1sb0 h PRO 30 Cb 1.14 -0.13 -0.29 0.00 0.11 0.00 0.00 31.00 31.83 1sb0 h PRO 30 CO 0.72 0.38 -0.52 0.34 -0.21 0.00 0.00 178.00 178.71 1sb0 s ASP 31 N -5.25 -0.19 0.32 -2.05 -1.08 -1.26 -5.05 116.67 102.10 1sb0 s ASP 31 Ca -0.11 0.40 0.08 0.00 -0.52 0.00 0.00 52.55 52.40 1sb0 s ASP 31 Cb 0.26 0.34 0.90 0.00 -1.46 0.00 0.00 42.92 42.96 1sb0 s ASP 31 CO 0.79 -0.12 1.64 -0.65 0.52 0.00 0.00 175.17 177.36 1sb0 h PRO 32 N 6.61 0.22 -0.75 4.34 0.11 -2.04 0.57 132.00 141.07 1sb0 h PRO 32 Ca -0.34 -0.01 0.17 0.00 0.11 0.00 0.00 66.00 65.93 1sb0 h PRO 32 Cb 1.17 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 1sb0 h PRO 32 CO 0.39 0.14 0.51 0.00 -0.21 0.00 0.00 178.00 178.84 1sb0 h ALA 33 N 1.84 2.32 -0.22 -0.75 0.00 -1.98 -0.08 119.26 120.39 1sb0 h ALA 33 Ca 0.65 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.61 1sb0 h ALA 33 Cb 1.41 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1sb0 h ALA 33 CO -0.67 -0.53 0.23 0.00 0.00 0.00 0.00 179.25 178.28 1sb0 h ALA 34 N 1.65 1.89 -0.49 0.00 0.00 -1.30 -0.96 119.26 120.05 1sb0 h ALA 34 Ca 0.37 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.41 1sb0 h ALA 34 Cb 1.06 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1sb0 h ALA 34 CO -0.09 -0.34 0.48 -0.07 0.00 0.00 0.00 179.25 179.22 1sb0 h LEU 35 N 0.00 0.00 -1.74 0.00 3.38 -1.14 -0.06 115.31 115.75 1sb0 h LEU 35 Ca 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1sb0 h LEU 35 Cb 0.56 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1sb0 h LEU 35 CO -0.00 0.00 -0.07 0.11 0.09 0.00 0.00 178.44 178.57 1sb0 h LYS 36 N 0.00 0.00 -6.75 1.13 1.57 -1.37 -3.17 116.57 107.98 1sb0 h LYS 36 Ca 0.23 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.49 1sb0 h LYS 36 Cb 1.18 0.00 0.07 0.00 0.08 0.00 0.00 32.23 33.56 1sb0 h LYS 36 CO -0.00 0.07 0.89 0.34 -0.57 0.00 0.00 179.45 180.18 1sb0 s ASP 37 N -5.81 6.43 0.28 0.86 -1.08 -0.04 -4.70 116.67 112.61 1sb0 s ASP 37 Ca -0.01 2.86 0.01 0.00 -0.52 0.00 0.00 52.55 54.90 1sb0 s ASP 37 Cb 0.11 -2.62 0.67 0.00 -1.46 0.00 0.00 42.92 39.61 1sb0 s ASP 37 CO 0.55 -0.89 1.68 -0.09 0.52 0.00 0.00 175.17 176.94 1sb0 h ARG 38 N 5.47 0.30 -0.47 4.34 9.65 -1.89 0.33 114.38 132.10 1sb0 h ARG 38 Ca -0.46 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.39 1sb0 h ARG 38 Cb 1.21 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.71 1sb0 h ARG 38 CO 0.84 0.20 0.24 0.00 2.80 0.00 0.00 179.97 184.04 1sb0 h ARG 39 N 0.31 0.67 -0.46 0.20 -0.00 -1.94 -0.58 114.38 112.59 1sb0 h ARG 39 Ca 0.53 -0.09 -0.03 0.00 -0.50 0.00 0.00 59.98 59.88 1sb0 h ARG 39 Cb 1.01 -0.12 -0.02 0.00 0.00 0.00 0.00 29.97 30.83 1sb0 h ARG 39 CO -0.57 0.56 0.16 0.52 0.00 0.00 0.00 179.97 180.64 1sb0 h MET 40 N 0.62 0.70 -0.89 0.04 2.86 -0.77 -0.56 114.93 116.92 1sb0 h MET 40 Ca 0.16 -0.14 0.12 0.00 -2.06 0.00 0.00 59.70 57.78 1sb0 h MET 40 Cb 0.10 -0.11 -0.08 0.00 0.06 0.00 0.00 31.60 31.57 1sb0 h MET 40 CO -0.02 0.65 0.52 0.93 1.06 0.00 0.00 176.91 180.05 1sb0 h GLU 41 N 0.60 0.79 -0.11 1.72 5.08 -0.33 0.33 114.58 122.66 1sb0 h GLU 41 Ca 0.15 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1sb0 h GLU 41 Cb 0.23 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1sb0 h GLU 41 CO -0.01 0.52 0.07 -0.91 -1.00 0.00 0.00 179.01 177.68 1sb0 h ASN 42 N 0.82 0.14 -0.82 1.42 2.35 -0.66 0.60 115.58 119.43 1sb0 h ASN 42 Ca 0.45 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 56.12 1sb0 h ASN 42 Cb 0.49 -0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.78 1sb0 h ASN 42 CO -0.28 0.16 0.43 0.25 -1.65 0.00 0.00 177.43 176.34 1sb0 h LEU 43 N 0.10 1.03 -0.02 1.61 5.85 0.43 0.90 115.31 125.22 1sb0 h LEU 43 Ca 0.04 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.67 1sb0 h LEU 43 Cb 0.05 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 1sb0 h LEU 43 CO -0.01 0.84 -0.08 0.58 -0.34 0.00 0.00 178.44 179.44 1sb0 h VAL 44 N 1.14 0.79 -0.39 1.05 2.07 -0.35 0.11 116.25 120.67 1sb0 h VAL 44 Ca 0.29 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.86 1sb0 h VAL 44 Cb 0.05 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 1sb0 h VAL 44 CO -0.04 0.00 0.10 0.00 0.02 0.00 0.00 177.57 177.64 1sb0 h ALA 45 N 0.88 0.43 -0.11 1.67 0.00 -0.17 0.14 119.26 122.10 1sb0 h ALA 45 Ca 0.04 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1sb0 h ALA 45 Cb 0.18 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1sb0 h ALA 45 CO -0.10 -0.30 -0.14 -0.92 0.00 0.00 0.00 179.25 177.79 1sb0 h TYR 46 N 0.23 -0.37 -0.48 0.00 3.20 -0.56 0.39 116.97 119.40 1sb0 h TYR 46 Ca 0.18 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.13 1sb0 h TYR 46 Cb 0.20 0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.60 1sb0 h TYR 46 CO -0.18 -0.21 0.21 0.00 -1.64 0.00 0.00 178.16 176.34 1sb0 h ALA 47 N 0.86 0.59 0.22 1.82 0.00 -0.10 0.13 119.26 122.78 1sb0 h ALA 47 Ca 0.09 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1sb0 h ALA 47 Cb 0.31 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1sb0 h ALA 47 CO -0.22 -0.17 -0.23 0.87 0.00 0.00 0.00 179.25 179.51 1sb0 h LYS 48 N 0.41 -0.46 -0.08 0.00 1.57 -0.45 0.70 116.57 118.25 1sb0 h LYS 48 Ca 0.22 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 59.07 1sb0 h LYS 48 Cb 0.18 0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.54 1sb0 h LYS 48 CO -0.19 -0.31 -0.27 -0.22 -0.57 0.00 0.00 179.45 177.89 1sb0 h LYS 49 N -0.48 -0.36 -0.30 3.15 3.64 -0.41 0.12 116.57 121.92 1sb0 h LYS 49 Ca 0.00 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1sb0 h LYS 49 Cb 0.46 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1sb0 h LYS 49 CO -0.06 -0.24 0.14 -0.24 -2.27 0.00 0.00 179.45 176.78 1sb0 h VAL 50 N -0.37 1.16 -0.77 2.00 3.04 -0.67 0.58 116.25 121.23 1sb0 h VAL 50 Ca 0.09 -0.47 0.09 0.00 -1.01 0.00 0.00 66.70 65.39 1sb0 h VAL 50 Cb 0.49 0.92 -0.07 0.00 -2.01 0.00 0.00 31.29 30.62 1sb0 h VAL 50 CO -0.29 0.17 0.42 -0.08 -1.01 0.00 0.00 177.57 176.78 1sb0 h GLU 51 N 0.35 0.70 -0.04 4.17 4.22 -0.57 0.10 114.58 123.51 1sb0 h GLU 51 Ca 0.10 -0.04 0.04 0.00 0.08 0.00 0.00 59.36 59.54 1sb0 h GLU 51 Cb 0.14 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 1sb0 h GLU 51 CO -0.01 0.47 -0.29 0.78 -2.18 0.00 0.00 179.01 177.77 1sb0 h GLY 52 N 0.73 -0.44 0.20 1.92 0.00 -0.00 0.17 103.07 105.65 1sb0 h GLY 52 Ca 0.37 0.35 0.10 0.00 0.00 0.00 0.00 47.33 48.15 1sb0 h GLY 52 CO -0.24 -0.22 0.07 -1.80 0.00 0.00 0.00 176.54 174.35 1sb0 h ASP 53 N -0.42 -0.09 -0.22 0.19 3.58 0.09 -1.16 116.42 118.39 1sb0 h ASP 53 Ca 0.07 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.64 1sb0 h ASP 53 Cb 0.52 0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.73 1sb0 h ASP 53 CO -0.27 -0.02 0.15 0.24 -2.88 0.00 0.00 179.24 176.45 1sb0 h MET 54 N 0.19 0.30 -0.70 0.28 2.86 -0.40 0.15 114.93 117.62 1sb0 h MET 54 Ca 0.28 -0.02 0.11 0.00 -2.06 0.00 0.00 59.70 58.01 1sb0 h MET 54 Cb 0.41 -0.07 -0.08 0.00 0.06 0.00 0.00 31.60 31.92 1sb0 h MET 54 CO -0.40 0.21 0.29 -0.92 1.06 0.00 0.00 176.91 177.15 1sb0 h TYR 55 N 0.30 0.51 -0.16 -0.22 3.20 0.19 0.16 116.97 120.95 1sb0 h TYR 55 Ca 0.08 0.03 -0.18 0.00 3.14 0.00 0.00 58.73 61.80 1sb0 h TYR 55 Cb -0.02 -0.12 0.01 0.00 1.54 0.00 0.00 36.73 38.13 1sb0 h TYR 55 CO -0.06 0.12 -0.62 0.93 -1.64 0.00 0.00 178.16 176.89 1sb0 h GLU 56 N 0.48 0.70 -0.56 1.82 4.39 -1.00 -3.31 114.58 117.09 1sb0 h GLU 56 Ca 0.36 -0.54 -0.07 0.00 0.34 0.00 0.00 59.36 59.46 1sb0 h GLU 56 Cb 0.48 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 1sb0 h GLU 56 CO -0.34 1.16 0.09 0.77 -1.16 0.00 0.00 179.01 179.53 1sb0 h SER 57 N 0.40 0.89 -2.26 1.42 0.02 0.04 -3.41 113.55 110.65 1sb0 h SER 57 Ca -0.03 -0.26 -0.55 0.00 -0.84 0.00 0.00 61.79 60.11 1sb0 h SER 57 Cb 1.25 -0.24 -0.09 0.00 0.14 0.00 0.00 62.40 63.46 1sb0 h SER 57 CO 0.13 0.92 1.07 0.00 -1.14 0.00 0.00 176.83 177.81 1sb0 s ALA 58 N -5.20 2.77 0.00 3.77 0.00 0.49 -4.88 121.76 118.71 1sb0 s ALA 58 Ca -0.12 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 50.35 1sb0 s ALA 58 Cb 0.12 -4.26 0.00 0.00 0.00 0.00 0.00 23.12 18.99 1sb0 s ALA 58 CO 0.82 -3.29 1.53 -1.71 0.00 0.00 0.00 175.76 173.11 1sb0 n ASN 59 N 9.22 4.17 -3.60 0.00 5.15 -1.26 -4.70 115.26 124.24 1sb0 n ASN 59 Ca 0.05 -2.12 -0.06 0.00 -0.60 0.00 0.00 54.58 51.86 1sb0 n ASN 59 Cb 0.49 -0.85 -0.04 0.00 -0.53 0.00 0.00 39.78 38.85 1sb0 n ASN 59 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1sb0 s SER 60 N 1.73 -0.20 0.21 1.20 1.04 -1.26 -4.98 113.70 111.44 1sb0 s SER 60 Ca 0.00 0.17 -0.10 0.00 0.48 0.00 0.00 55.95 56.51 1sb0 s SER 60 Cb 0.00 0.17 0.18 0.00 0.10 0.00 0.00 66.02 66.47 1sb0 s SER 60 CO 0.00 -0.21 1.88 -0.09 0.98 0.00 0.00 173.24 175.79 1sb0 h ARG 61 N 2.24 0.97 0.15 4.02 2.43 -1.92 0.14 114.38 122.42 1sb0 h ARG 61 Ca -0.13 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.00 1sb0 h ARG 61 Cb 1.18 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 30.46 1sb0 h ARG 61 CO 0.26 0.64 -0.40 -0.44 -1.51 0.00 0.00 179.97 178.52 1sb0 h ASP 62 N 1.00 -1.17 -0.29 -3.80 5.19 -1.96 -0.00 116.42 115.39 1sb0 h ASP 62 Ca 0.29 0.13 0.04 0.00 -0.62 0.00 0.00 57.03 56.86 1sb0 h ASP 62 Cb -0.08 0.43 -0.04 0.00 0.18 0.00 0.00 39.33 39.83 1sb0 h ASP 62 CO -0.08 -0.48 0.07 -0.08 -3.12 0.00 0.00 179.24 175.55 1sb0 h GLU 63 N -0.66 0.18 -0.35 3.56 4.57 -1.89 -0.61 114.58 119.40 1sb0 h GLU 63 Ca 0.02 -0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.26 1sb0 h GLU 63 Cb 0.67 -0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 29.15 1sb0 h GLU 63 CO -0.21 0.12 -0.15 -0.92 -1.18 0.00 0.00 179.01 176.67 1sb0 h TYR 64 N 0.19 -0.35 -0.02 0.92 3.20 -0.45 0.24 116.97 120.70 1sb0 h TYR 64 Ca 0.13 0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.05 1sb0 h TYR 64 Cb 0.13 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 1sb0 h TYR 64 CO -0.16 -0.22 -0.05 1.88 -1.64 0.00 0.00 178.16 177.97 1sb0 h TYR 65 N -0.08 -0.12 0.22 -3.82 0.05 -0.79 -2.21 116.97 110.22 1sb0 h TYR 65 Ca 0.17 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.96 1sb0 h TYR 65 Cb 0.35 0.06 -0.03 0.00 1.01 0.00 0.00 36.73 38.12 1sb0 h TYR 65 CO -0.37 -0.08 -0.42 1.25 -1.05 0.00 0.00 178.16 177.49 1sb0 h HIS 66 N -0.08 -1.21 0.00 4.88 2.76 0.49 -0.55 115.15 121.44 1sb0 h HIS 66 Ca 0.03 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.17 1sb0 h HIS 66 Cb 0.12 0.50 -0.01 0.00 1.55 0.00 0.00 27.41 29.57 1sb0 h HIS 66 CO -0.13 -0.51 -0.27 1.37 -1.30 0.00 0.00 177.93 177.09 1sb0 h LEU 67 N -0.69 0.00 0.24 0.26 8.10 -0.63 0.17 115.31 122.75 1sb0 h LEU 67 Ca -0.02 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.95 1sb0 h LEU 67 Cb 0.65 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.88 1sb0 h LEU 67 CO -0.16 0.27 -0.12 -0.07 -4.11 0.00 0.00 178.44 174.25 1sb0 h LEU 68 N 0.00 -0.27 -0.43 0.17 3.38 -1.19 0.12 115.31 117.09 1sb0 h LEU 68 Ca -0.00 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 57.87 1sb0 h LEU 68 Cb 0.52 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 1sb0 h LEU 68 CO 0.04 -0.01 0.15 0.00 0.09 0.00 0.00 178.44 178.71 1sb0 h ALA 69 N 0.15 0.51 -0.58 1.53 0.00 -0.64 -0.97 119.26 119.26 1sb0 h ALA 69 Ca -0.03 0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1sb0 h ALA 69 Cb 0.40 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1sb0 h ALA 69 CO 0.05 -0.23 0.31 1.49 0.00 0.00 0.00 179.25 180.87 1sb0 h GLU 70 N 0.32 0.58 0.06 0.00 4.81 -0.63 0.50 114.58 120.22 1sb0 h GLU 70 Ca 0.20 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.41 1sb0 h GLU 70 Cb 0.18 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1sb0 h GLU 70 CO -0.20 0.38 -0.16 -0.22 -0.73 0.00 0.00 179.01 178.09 1sb0 h LYS 71 N 0.60 -0.28 -0.17 1.92 1.63 -0.06 0.16 116.57 120.36 1sb0 h LYS 71 Ca 0.25 0.02 0.05 0.00 -0.85 0.00 0.00 60.65 60.12 1sb0 h LYS 71 Cb 0.13 0.06 -0.07 0.00 -0.60 0.00 0.00 32.23 31.76 1sb0 h LYS 71 CO -0.16 -0.19 -0.31 0.82 -3.45 0.00 0.00 179.45 176.16 1sb0 h ILE 72 N -0.29 0.29 -0.22 2.00 2.04 -0.79 0.28 117.51 120.82 1sb0 h ILE 72 Ca 0.03 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.95 1sb0 h ILE 72 Cb 0.32 0.29 -0.07 0.00 -0.74 0.00 0.00 36.82 36.62 1sb0 h ILE 72 CO -0.11 0.00 -0.31 0.22 0.00 0.00 0.00 178.15 177.95 1sb0 h TYR 73 N -0.36 -0.86 0.13 1.37 5.03 -0.51 -0.30 116.97 121.47 1sb0 h TYR 73 Ca 0.11 0.04 0.01 0.00 2.58 0.00 0.00 58.73 61.47 1sb0 h TYR 73 Cb 0.53 0.41 -0.02 0.00 1.55 0.00 0.00 36.73 39.21 1sb0 h TYR 73 CO -0.42 -0.38 -0.16 0.87 -1.32 0.00 0.00 178.16 176.75 1sb0 h LYS 74 N -0.33 -0.32 -0.21 1.82 1.79 -0.38 -0.17 116.57 118.76 1sb0 h LYS 74 Ca 0.12 0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.65 1sb0 h LYS 74 Cb 0.53 0.07 -0.07 0.00 -1.58 0.00 0.00 32.23 31.18 1sb0 h LYS 74 CO -0.41 -0.21 -0.55 0.82 -1.08 0.00 0.00 179.45 178.02 1sb0 h ILE 75 N -0.33 0.00 -0.06 1.86 2.04 -0.39 0.28 117.51 120.91 1sb0 h ILE 75 Ca 0.01 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.91 1sb0 h ILE 75 Cb 0.33 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.36 1sb0 h ILE 75 CO -0.06 0.00 -0.32 1.56 0.00 0.00 0.00 178.15 179.33 1sb0 h GLN 76 N -0.54 -0.42 0.70 2.37 1.08 -0.83 0.53 115.11 118.02 1sb0 h GLN 76 Ca 0.04 0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.24 1sb0 h GLN 76 Cb 0.66 0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 28.18 1sb0 h GLN 76 CO -0.48 -0.28 -0.42 0.87 -0.95 0.00 0.00 178.83 177.57 1sb0 h LYS 77 N -0.43 -1.01 -0.12 1.46 1.79 -0.58 0.13 116.57 117.81 1sb0 h LYS 77 Ca 0.08 0.07 0.05 0.00 -2.18 0.00 0.00 60.65 58.66 1sb0 h LYS 77 Cb 0.55 0.23 -0.06 0.00 -1.58 0.00 0.00 32.23 31.36 1sb0 h LYS 77 CO -0.30 -0.67 -0.32 0.93 -1.08 0.00 0.00 179.45 178.01 1sb0 h GLU 78 N -1.05 -0.38 -0.66 3.15 4.39 -0.43 0.92 114.58 120.51 1sb0 h GLU 78 Ca -0.09 0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 1sb0 h GLU 78 Cb 0.83 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.54 1sb0 h GLU 78 CO 0.10 -0.26 0.29 1.25 -1.16 0.00 0.00 179.01 179.24 1sb0 h LEU 79 N -0.40 0.89 0.37 1.33 5.85 -0.87 0.83 115.31 123.31 1sb0 h LEU 79 Ca 0.09 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1sb0 h LEU 79 Cb 0.54 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1sb0 h LEU 79 CO -0.34 0.80 -0.19 -0.08 -0.34 0.00 0.00 178.44 178.29 1sb0 h GLU 80 N 0.93 -0.49 -0.35 1.25 4.81 -0.37 0.13 114.58 120.48 1sb0 h GLU 80 Ca 0.22 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.47 1sb0 h GLU 80 Cb 0.16 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1sb0 h GLU 80 CO -0.02 -0.32 0.14 0.93 -0.73 0.00 0.00 179.01 179.00 1sb0 h GLU 81 N -0.51 0.53 0.09 1.92 5.08 -0.72 0.14 114.58 121.11 1sb0 h GLU 81 Ca -0.05 -0.10 -0.27 0.00 -1.00 0.00 0.00 59.36 57.94 1sb0 h GLU 81 Cb 0.39 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1sb0 h GLU 81 CO 0.08 0.52 -1.44 0.87 -1.00 0.00 0.00 179.01 178.03 1sb0 h LYS 82 N 0.43 0.18 0.00 2.33 1.57 -0.97 -3.40 116.57 116.70 1sb0 h LYS 82 Ca 0.12 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1sb0 h LYS 82 Cb 0.19 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1sb0 h LYS 82 CO -0.01 1.15 0.00 -2.13 -0.57 0.00 0.00 179.45 177.89 1sb0 n ARG 83 N -3.98 0.00 -0.18 3.15 0.63 -0.84 -4.50 116.66 110.94 1sb0 n ARG 83 Ca -0.27 0.06 0.09 0.00 -0.92 0.00 0.00 57.85 56.80 1sb0 n ARG 83 Cb 0.86 -0.40 0.39 0.00 0.45 0.00 0.00 32.46 33.77 1sb0 n ARG 83 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1sb0 h ARG 84 N 0.00 0.64 -0.96 -0.14 3.08 -0.69 0.16 114.38 116.48 1sb0 h ARG 84 Ca 0.00 -0.04 0.24 0.00 0.07 0.00 0.00 59.98 60.25 1sb0 h ARG 84 Cb 0.00 -0.14 -0.18 0.00 0.08 0.00 0.00 29.97 29.73 1sb0 h ARG 84 CO 0.00 0.42 -0.04 1.03 -1.07 0.00 0.00 179.97 180.31 1sb0 h SER 85 N 0.66 -0.57 0.00 7.04 0.87 -0.93 -2.66 113.55 117.96 1sb0 h SER 85 Ca 0.34 0.27 -0.01 0.00 -1.23 0.00 0.00 61.79 61.16 1sb0 h SER 85 Cb 0.44 0.50 -0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1sb0 h SER 85 CO -0.12 -0.32 -0.23 0.03 -0.53 0.00 0.00 176.83 175.66 1sb0 h ARG 86 N 0.02 0.00 0.00 2.24 3.08 -1.02 -3.52 114.38 115.18 1sb0 h ARG 86 Ca 0.54 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.59 1sb0 h ARG 86 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.08 1sb0 h ARG 86 CO -0.91 0.17 0.00 1.47 -1.07 0.00 0.00 179.97 179.63