#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 2.64 -1.36 1.61 0.31 -1.26 -4.85 118.33 115.43 1sb0 n VAL 2 Ca 0.00 -2.45 -0.43 0.00 -0.01 0.00 0.00 64.34 61.46 1sb0 n VAL 2 Cb 0.00 -2.39 -0.04 0.00 -0.91 0.00 0.00 33.84 30.50 1sb0 n VAL 2 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1sb0 n ARG 3 N 7.11 1.94 -0.09 5.55 5.12 -1.26 -4.65 116.66 130.38 1sb0 n ARG 3 Ca 0.50 -2.10 0.03 0.00 -1.93 0.00 0.00 57.85 54.34 1sb0 n ARG 3 Cb 0.42 -3.05 0.07 0.00 -1.16 0.00 0.00 32.46 28.74 1sb0 n ARG 3 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1sb0 n LYS 4 N 6.74 1.41 0.00 5.56 3.00 -1.26 -4.94 118.16 128.67 1sb0 n LYS 4 Ca 0.50 -0.61 0.00 0.00 -0.00 0.00 0.00 58.31 58.20 1sb0 n LYS 4 Cb 0.40 -1.15 0.00 0.00 0.00 0.00 0.00 35.03 34.28 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 0.75 1.92 0.26 3.14 0.00 -1.26 -4.12 105.19 105.87 1sb0 n GLY 5 Ca 0.06 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 -0.99 1.61 5.08 -1.92 -3.25 115.95 116.48 1sb0 h TRP 6 Ca 0.00 0.00 0.26 0.00 1.08 0.00 0.00 58.89 60.23 1sb0 h TRP 6 Cb 0.00 0.00 -0.18 0.00 -3.00 0.00 0.00 29.16 25.98 1sb0 h TRP 6 CO 0.00 0.13 -0.03 -2.39 -1.28 0.00 0.00 178.44 174.87 1sb0 n HIS 7 N -3.73 0.58 -0.34 0.12 1.44 -1.26 -0.44 115.22 111.58 1sb0 n HIS 7 Ca -0.02 1.19 0.24 0.00 -2.01 0.00 0.00 57.72 57.13 1sb0 n HIS 7 Cb 0.24 -1.21 0.51 0.00 0.12 0.00 0.00 29.99 29.65 1sb0 n HIS 7 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 1sb0 h GLU 8 N 0.00 0.36 0.00 -1.40 4.57 -1.90 0.97 114.58 117.18 1sb0 h GLU 8 Ca 0.57 -0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.67 1sb0 h GLU 8 Cb 1.13 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.63 1sb0 h GLU 8 CO -0.95 0.24 -0.32 0.45 -1.18 0.00 0.00 179.01 177.25 1sb0 h HIS 9 N 0.37 0.00 -3.51 0.92 3.86 -1.02 -3.39 115.15 112.38 1sb0 h HIS 9 Ca 0.64 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 59.18 1sb0 h HIS 9 Cb 1.64 0.00 -0.38 0.00 1.06 0.00 0.00 27.41 29.73 1sb0 h HIS 9 CO -0.00 0.32 -0.55 0.08 0.86 0.00 0.00 177.93 178.63 1sb0 s VAL 10 N -3.90 3.00 0.71 2.45 1.01 0.34 -5.04 120.40 118.97 1sb0 s VAL 10 Ca -0.01 -2.75 -0.10 0.00 0.00 0.00 0.00 61.98 59.12 1sb0 s VAL 10 Cb 0.12 -3.06 0.04 0.00 0.00 0.00 0.00 36.38 33.48 1sb0 s VAL 10 CO 0.67 -0.76 1.06 0.42 0.00 0.00 0.00 175.10 176.50 1sb0 s THR 11 N 0.32 2.93 0.32 3.92 -4.23 -1.26 -4.81 115.64 112.83 1sb0 s THR 11 Ca 0.14 0.13 0.09 0.00 -1.18 0.00 0.00 61.69 60.86 1sb0 s THR 11 Cb -0.22 -3.27 0.32 0.00 1.34 0.00 0.00 72.50 70.67 1sb0 s THR 11 CO -0.04 -0.33 1.67 1.56 -0.54 0.00 0.00 174.62 176.95 1sb0 h GLN 12 N -0.65 0.31 -0.21 3.99 4.20 -1.98 0.47 115.11 121.24 1sb0 h GLN 12 Ca -0.45 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.24 1sb0 h GLN 12 Cb 1.28 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.99 1sb0 h GLN 12 CO 0.63 0.20 0.13 -0.44 -0.67 0.00 0.00 178.83 178.69 1sb0 h ASP 13 N 0.31 0.24 -0.50 1.46 5.19 -1.98 0.18 116.42 121.32 1sb0 h ASP 13 Ca 0.65 -0.02 -0.11 0.00 -0.62 0.00 0.00 57.03 56.92 1sb0 h ASP 13 Cb 1.37 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 40.81 1sb0 h ASP 13 CO -0.61 0.19 -0.14 0.25 -3.12 0.00 0.00 179.24 175.81 1sb0 h LEU 14 N 0.27 0.98 -0.26 1.55 5.85 -1.35 0.77 115.31 123.12 1sb0 h LEU 14 Ca 0.07 -0.37 0.06 0.00 0.84 0.00 0.00 57.88 58.49 1sb0 h LEU 14 Cb -0.02 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.69 1sb0 h LEU 14 CO -0.02 1.12 -0.12 0.03 -0.34 0.00 0.00 178.44 179.12 1sb0 h ARG 15 N 0.83 -0.08 -0.29 1.25 3.08 -0.79 0.13 114.38 118.50 1sb0 h ARG 15 Ca 0.12 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.23 1sb0 h ARG 15 Cb 0.70 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.72 1sb0 h ARG 15 CO 0.05 -0.06 -0.01 0.77 -1.07 0.00 0.00 179.97 179.66 1sb0 h SER 16 N -0.09 -0.13 -0.08 7.04 0.02 -0.35 0.11 113.55 120.07 1sb0 h SER 16 Ca 0.14 0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.18 1sb0 h SER 16 Cb 0.29 0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 1sb0 h SER 16 CO -0.31 -0.03 -0.06 -0.74 -1.14 0.00 0.00 176.83 174.55 1sb0 h HIS 17 N 0.08 -0.14 -0.38 3.45 6.17 -0.26 0.56 115.15 124.63 1sb0 h HIS 17 Ca 0.14 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.22 1sb0 h HIS 17 Cb 0.19 0.07 -0.02 0.00 2.52 0.00 0.00 27.41 30.18 1sb0 h HIS 17 CO -0.22 -0.09 0.20 -0.07 0.71 0.00 0.00 177.93 178.46 1sb0 h LEU 18 N -0.07 0.48 -0.42 0.26 3.38 -0.43 0.25 115.31 118.76 1sb0 h LEU 18 Ca 0.05 -0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.01 1sb0 h LEU 18 Cb 0.14 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.69 1sb0 h LEU 18 CO -0.12 0.44 -0.14 0.58 0.09 0.00 0.00 178.44 179.29 1sb0 h VAL 19 N 0.49 0.51 -0.38 1.22 2.07 -0.55 0.23 116.25 119.84 1sb0 h VAL 19 Ca 0.13 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.71 1sb0 h VAL 19 Cb 0.07 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 1sb0 h VAL 19 CO -0.02 0.00 0.07 -0.74 0.02 0.00 0.00 177.57 176.90 1sb0 h HIS 20 N -0.05 0.12 -0.88 1.57 -0.00 -0.18 -0.03 115.15 115.71 1sb0 h HIS 20 Ca 0.21 0.02 0.07 0.00 -0.00 0.00 0.00 60.37 60.67 1sb0 h HIS 20 Cb 0.36 0.00 -0.07 0.00 -0.00 0.00 0.00 27.41 27.71 1sb0 h HIS 20 CO -0.40 0.01 0.54 0.87 -0.00 0.00 0.00 177.93 178.95 1sb0 h LYS 21 N 0.20 0.93 0.07 5.26 1.79 0.13 0.87 116.57 125.81 1sb0 h LYS 21 Ca 0.18 -0.06 0.02 0.00 -2.18 0.00 0.00 60.65 58.62 1sb0 h LYS 21 Cb 0.21 -0.21 -0.04 0.00 -1.58 0.00 0.00 32.23 30.61 1sb0 h LYS 21 CO -0.24 0.61 -0.28 -0.07 -1.08 0.00 0.00 179.45 178.40 1sb0 h LEU 22 N 0.96 -0.80 -0.17 2.94 3.38 0.54 0.15 115.31 122.30 1sb0 h LEU 22 Ca 0.39 0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.51 1sb0 h LEU 22 Cb 0.23 0.31 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 1sb0 h LEU 22 CO -0.19 -0.36 -0.16 0.58 0.09 0.00 0.00 178.44 178.40 1sb0 h VAL 23 N -0.46 0.56 -0.25 1.22 2.07 -0.00 -0.03 116.25 119.36 1sb0 h VAL 23 Ca 0.04 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.57 1sb0 h VAL 23 Cb 0.51 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1sb0 h VAL 23 CO -0.19 0.00 0.15 1.56 0.02 0.00 0.00 177.57 179.11 1sb0 h GLN 24 N -0.18 0.30 -0.70 1.57 1.08 -0.65 0.42 115.11 116.95 1sb0 h GLN 24 Ca 0.11 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.29 1sb0 h GLN 24 Cb 0.34 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.67 1sb0 h GLN 24 CO -0.28 0.20 0.42 0.00 -0.95 0.00 0.00 178.83 178.22 1sb0 h ALA 25 N 1.10 0.90 -0.08 3.87 0.00 -0.20 -1.03 119.26 123.82 1sb0 h ALA 25 Ca 0.09 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 1sb0 h ALA 25 Cb -0.02 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.50 1sb0 h ALA 25 CO -0.04 0.37 -0.67 0.82 0.00 0.00 0.00 179.25 179.73 1sb0 h ILE 26 N 0.96 1.34 -1.72 0.00 2.04 -0.83 -3.44 117.51 115.86 1sb0 h ILE 26 Ca 0.25 -1.97 -0.31 0.00 1.00 0.00 0.00 64.86 63.84 1sb0 h ILE 26 Cb -0.03 2.24 -0.28 0.00 -0.74 0.00 0.00 36.82 38.01 1sb0 h ILE 26 CO -0.05 0.60 -0.64 0.12 0.00 0.00 0.00 178.15 178.18 1sb0 s PHE 27 N -3.56 -0.59 -0.23 1.37 2.19 0.15 -5.05 117.98 112.26 1sb0 s PHE 27 Ca -0.12 -0.70 -0.35 0.00 0.33 0.00 0.00 56.93 56.10 1sb0 s PHE 27 Cb 0.06 -0.24 -0.11 0.00 -1.31 0.00 0.00 43.02 41.42 1sb0 s PHE 27 CO 0.86 -1.03 2.03 -2.30 1.83 0.00 0.00 175.22 176.61 1sb0 n PRO 28 N 4.09 1.57 -2.98 10.12 -0.02 -0.41 -3.90 135.00 143.47 1sb0 n PRO 28 Ca 0.13 0.51 -0.40 0.00 -2.02 0.00 0.00 63.50 61.72 1sb0 n PRO 28 Cb 0.48 -2.57 -0.04 0.00 -0.02 0.00 0.00 33.50 31.35 1sb0 n PRO 28 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1sb0 s THR 29 N 5.80 4.98 0.21 3.45 2.01 -1.26 -4.97 115.64 125.85 1sb0 s THR 29 Ca 1.01 1.52 -0.11 0.00 0.31 0.00 0.00 61.69 64.42 1sb0 s THR 29 Cb -0.77 -4.08 0.20 0.00 0.01 0.00 0.00 72.50 67.86 1sb0 s THR 29 CO 0.51 0.15 1.66 -0.65 -0.69 0.00 0.00 174.62 175.60 1sb0 h PRO 30 N 7.04 0.11 -2.28 4.92 0.11 -1.99 -3.44 132.00 136.46 1sb0 h PRO 30 Ca -0.36 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.67 1sb0 h PRO 30 Cb 1.17 -0.02 -0.21 0.00 0.11 0.00 0.00 31.00 32.04 1sb0 h PRO 30 CO 0.78 0.07 0.01 0.34 -0.21 0.00 0.00 178.00 179.00 1sb0 s ASP 31 N -5.24 -0.60 0.31 -2.05 -1.08 -1.26 -5.04 116.67 101.72 1sb0 s ASP 31 Ca -0.14 1.01 0.06 0.00 -0.52 0.00 0.00 52.55 52.96 1sb0 s ASP 31 Cb 0.19 1.00 0.86 0.00 -1.46 0.00 0.00 42.92 43.50 1sb0 s ASP 31 CO 0.74 -0.32 1.61 -0.65 0.52 0.00 0.00 175.17 177.07 1sb0 h PRO 32 N 4.58 0.11 -0.78 4.34 0.11 -2.04 0.15 132.00 138.47 1sb0 h PRO 32 Ca -0.28 -0.01 0.17 0.00 0.11 0.00 0.00 66.00 66.00 1sb0 h PRO 32 Cb 1.16 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.20 1sb0 h PRO 32 CO 0.21 0.07 0.53 0.00 -0.21 0.00 0.00 178.00 178.59 1sb0 h ALA 33 N 1.89 2.25 -0.13 -0.75 0.00 -2.00 -0.77 119.26 119.76 1sb0 h ALA 33 Ca 0.63 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.58 1sb0 h ALA 33 Cb 1.38 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1sb0 h ALA 33 CO -0.76 -0.47 0.15 0.00 0.00 0.00 0.00 179.25 178.16 1sb0 h ALA 34 N 1.64 1.72 0.00 0.00 0.00 -1.10 -0.39 119.26 121.13 1sb0 h ALA 34 Ca 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1sb0 h ALA 34 Cb 1.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1sb0 h ALA 34 CO -0.11 -0.21 0.10 -0.07 0.00 0.00 0.00 179.25 178.96 1sb0 h LEU 35 N 0.00 0.00 -2.19 0.00 3.38 -1.26 -0.38 115.31 114.86 1sb0 h LEU 35 Ca 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1sb0 h LEU 35 Cb 0.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1sb0 h LEU 35 CO -0.00 0.00 -0.01 0.11 0.09 0.00 0.00 178.44 178.63 1sb0 h LYS 36 N 0.00 0.00 -7.00 1.13 1.79 -1.27 -3.30 116.57 107.93 1sb0 h LYS 36 Ca 0.00 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.94 1sb0 h LYS 36 Cb 0.21 0.00 0.10 0.00 -1.58 0.00 0.00 32.23 30.95 1sb0 h LYS 36 CO 0.00 0.01 0.58 0.34 -1.08 0.00 0.00 179.45 179.30 1sb0 s ASP 37 N -5.48 5.92 0.11 0.86 2.15 -0.15 -4.87 116.67 115.21 1sb0 s ASP 37 Ca -0.02 2.62 -0.13 0.00 0.43 0.00 0.00 52.55 55.45 1sb0 s ASP 37 Cb 0.11 -2.63 -0.09 0.00 -0.30 0.00 0.00 42.92 40.01 1sb0 s ASP 37 CO 0.49 -1.12 1.40 -0.09 -0.17 0.00 0.00 175.17 175.68 1sb0 h ARG 38 N 2.11 0.81 -0.40 4.34 9.65 -1.89 0.18 114.38 129.19 1sb0 h ARG 38 Ca -0.50 -0.49 -0.04 0.00 -1.10 0.00 0.00 59.98 57.85 1sb0 h ARG 38 Cb 1.26 0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.88 1sb0 h ARG 38 CO 0.60 1.13 0.10 0.00 2.80 0.00 0.00 179.97 184.59 1sb0 h ARG 39 N 0.58 0.63 -0.35 0.20 3.08 -1.95 0.66 114.38 117.23 1sb0 h ARG 39 Ca 0.02 -0.15 0.05 0.00 0.07 0.00 0.00 59.98 59.97 1sb0 h ARG 39 Cb 1.06 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.98 1sb0 h ARG 39 CO 0.10 0.66 0.09 1.98 -1.07 0.00 0.00 179.97 181.73 1sb0 h MET 40 N 0.50 0.22 -0.76 0.04 4.05 -1.84 0.39 114.93 117.52 1sb0 h MET 40 Ca 0.12 -0.01 0.09 0.00 -0.28 0.00 0.00 59.70 59.62 1sb0 h MET 40 Cb 0.31 -0.05 -0.07 0.00 -0.80 0.00 0.00 31.60 30.99 1sb0 h MET 40 CO 0.00 0.14 0.41 1.49 0.23 0.00 0.00 176.91 179.18 1sb0 h GLU 41 N 0.22 0.67 -0.74 0.39 4.81 -0.34 0.13 114.58 119.72 1sb0 h GLU 41 Ca 0.16 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1sb0 h GLU 41 Cb 0.16 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 1sb0 h GLU 41 CO -0.19 0.44 0.44 -0.91 -0.73 0.00 0.00 179.01 178.06 1sb0 h ASN 42 N 0.69 0.90 -0.52 1.04 2.35 0.16 0.15 115.58 120.35 1sb0 h ASN 42 Ca 0.37 -0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 56.00 1sb0 h ASN 42 Cb 0.35 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 1sb0 h ASN 42 CO -0.25 0.71 0.17 0.25 -1.65 0.00 0.00 177.43 176.66 1sb0 h LEU 43 N 1.02 0.75 -0.31 1.61 5.85 0.31 0.55 115.31 125.08 1sb0 h LEU 43 Ca 0.26 -0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.84 1sb0 h LEU 43 Cb -0.02 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.76 1sb0 h LEU 43 CO -0.05 0.75 -0.02 0.58 -0.34 0.00 0.00 178.44 179.36 1sb0 h VAL 44 N 0.71 0.75 -0.22 1.05 2.07 -0.46 0.83 116.25 120.98 1sb0 h VAL 44 Ca 0.17 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.70 1sb0 h VAL 44 Cb 0.26 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1sb0 h VAL 44 CO -0.01 0.01 0.02 0.00 0.02 0.00 0.00 177.57 177.62 1sb0 h ALA 45 N 1.28 0.21 -0.28 1.67 0.00 -0.18 0.12 119.26 122.07 1sb0 h ALA 45 Ca 0.15 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.17 1sb0 h ALA 45 Cb 0.21 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 1sb0 h ALA 45 CO -0.27 -0.40 -0.15 -0.92 0.00 0.00 0.00 179.25 177.50 1sb0 h TYR 46 N 0.10 -0.37 -0.31 0.00 3.20 -0.57 0.48 116.97 119.49 1sb0 h TYR 46 Ca 0.10 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.02 1sb0 h TYR 46 Cb 0.11 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 1sb0 h TYR 46 CO -0.16 -0.22 0.16 0.00 -1.64 0.00 0.00 178.16 176.30 1sb0 h ALA 47 N 1.09 0.38 -0.03 1.82 0.00 -0.07 0.13 119.26 122.58 1sb0 h ALA 47 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1sb0 h ALA 47 Cb 0.34 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1sb0 h ALA 47 CO -0.35 -0.21 -0.23 0.87 0.00 0.00 0.00 179.25 179.33 1sb0 h LYS 48 N 0.34 -0.33 0.04 0.00 1.57 -0.50 0.26 116.57 117.95 1sb0 h LYS 48 Ca 0.13 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.96 1sb0 h LYS 48 Cb 0.03 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 1sb0 h LYS 48 CO -0.08 -0.22 -0.25 -0.22 -0.57 0.00 0.00 179.45 178.11 1sb0 h LYS 49 N -0.34 -0.40 -0.40 3.15 3.64 -0.36 0.84 116.57 122.70 1sb0 h LYS 49 Ca 0.07 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1sb0 h LYS 49 Cb 0.44 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 1sb0 h LYS 49 CO -0.23 -0.27 0.19 -0.24 -2.27 0.00 0.00 179.45 176.64 1sb0 h VAL 50 N -0.41 1.17 -0.49 2.00 3.04 -0.62 0.10 116.25 121.05 1sb0 h VAL 50 Ca 0.05 -0.50 0.06 0.00 -1.01 0.00 0.00 66.70 65.30 1sb0 h VAL 50 Cb 0.48 0.76 -0.05 0.00 -2.01 0.00 0.00 31.29 30.46 1sb0 h VAL 50 CO -0.20 0.19 0.19 -0.08 -1.01 0.00 0.00 177.57 176.66 1sb0 h GLU 51 N 0.51 0.36 -0.25 4.17 4.22 -0.72 0.15 114.58 123.03 1sb0 h GLU 51 Ca 0.14 -0.02 0.06 0.00 0.08 0.00 0.00 59.36 59.62 1sb0 h GLU 51 Cb 0.12 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.23 1sb0 h GLU 51 CO -0.02 0.24 -0.16 0.78 -2.18 0.00 0.00 179.01 177.67 1sb0 h GLY 52 N 0.38 0.01 0.38 1.92 0.00 -0.15 0.11 103.07 105.72 1sb0 h GLY 52 Ca 0.23 0.21 0.08 0.00 0.00 0.00 0.00 47.33 47.84 1sb0 h GLY 52 CO -0.22 -0.17 0.04 -1.80 0.00 0.00 0.00 176.54 174.40 1sb0 h ASP 53 N -0.15 -0.09 -0.49 0.19 3.58 -0.08 0.32 116.42 119.70 1sb0 h ASP 53 Ca 0.14 0.09 0.01 0.00 0.42 0.00 0.00 57.03 57.68 1sb0 h ASP 53 Cb 0.36 0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.52 1sb0 h ASP 53 CO -0.34 -0.01 0.32 0.24 -2.88 0.00 0.00 179.24 176.57 1sb0 h MET 54 N 0.16 0.63 -0.52 0.28 2.86 -0.45 0.11 114.93 118.00 1sb0 h MET 54 Ca 0.21 -0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.88 1sb0 h MET 54 Cb 0.29 -0.14 -0.06 0.00 0.06 0.00 0.00 31.60 31.75 1sb0 h MET 54 CO -0.32 0.42 0.22 -0.92 1.06 0.00 0.00 176.91 177.37 1sb0 h TYR 55 N 0.65 0.38 -0.54 -0.22 5.03 0.23 0.17 116.97 122.68 1sb0 h TYR 55 Ca 0.18 0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.43 1sb0 h TYR 55 Cb -0.06 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 38.11 1sb0 h TYR 55 CO -0.05 0.14 -0.03 0.93 -1.32 0.00 0.00 178.16 177.84 1sb0 h GLU 56 N 0.42 0.97 -0.09 1.82 4.39 -0.63 -3.29 114.58 118.16 1sb0 h GLU 56 Ca 0.25 -0.32 -0.07 0.00 0.34 0.00 0.00 59.36 59.56 1sb0 h GLU 56 Cb 0.24 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1sb0 h GLU 56 CO -0.23 0.99 -0.21 1.03 -1.16 0.00 0.00 179.01 179.44 1sb0 h SER 57 N 0.84 0.34 -2.25 1.42 0.87 -0.15 -3.45 113.55 111.17 1sb0 h SER 57 Ca 0.15 -0.58 -0.57 0.00 -1.23 0.00 0.00 61.79 59.56 1sb0 h SER 57 Cb 0.57 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.43 1sb0 h SER 57 CO 0.03 0.85 1.36 0.00 -0.53 0.00 0.00 176.83 178.55 1sb0 s ALA 58 N -3.92 3.04 0.47 6.23 0.00 0.55 -4.89 121.76 123.23 1sb0 s ALA 58 Ca -0.14 0.85 0.13 0.00 0.00 0.00 0.00 51.96 52.80 1sb0 s ALA 58 Cb 0.04 -3.98 1.07 0.00 0.00 0.00 0.00 23.12 20.25 1sb0 s ALA 58 CO 0.75 -2.34 2.06 -2.95 0.00 0.00 0.00 175.76 173.28 1sb0 h ASN 59 N 13.11 0.10 -5.16 0.00 7.08 -1.89 -3.45 115.58 125.36 1sb0 h ASN 59 Ca -0.42 -0.01 -0.13 0.00 -3.08 0.00 0.00 56.30 52.66 1sb0 h ASN 59 Cb 1.22 -0.03 -0.17 0.00 -2.08 0.00 0.00 38.32 37.27 1sb0 h ASN 59 CO 0.97 0.15 -0.66 -0.44 -2.08 0.00 0.00 177.43 175.37 1sb0 s SER 60 N -6.97 0.39 0.14 6.14 0.01 -1.26 -4.85 113.70 107.30 1sb0 s SER 60 Ca -0.05 -0.83 -0.19 0.00 1.31 0.00 0.00 55.95 56.19 1sb0 s SER 60 Cb 0.16 0.18 0.01 0.00 0.21 0.00 0.00 66.02 66.59 1sb0 s SER 60 CO 0.70 -0.53 1.71 -0.09 0.41 0.00 0.00 173.24 175.44 1sb0 h ARG 61 N 3.53 0.05 -0.76 12.44 2.43 -1.89 0.78 114.38 130.95 1sb0 h ARG 61 Ca -0.33 -0.00 0.18 0.00 -0.81 0.00 0.00 59.98 59.01 1sb0 h ARG 61 Cb 1.16 -0.01 -0.12 0.00 -0.42 0.00 0.00 29.97 30.58 1sb0 h ARG 61 CO 0.58 0.03 0.10 -0.44 -1.51 0.00 0.00 179.97 178.73 1sb0 h ASP 62 N 0.05 -0.17 0.20 -3.80 5.19 -1.99 0.12 116.42 116.01 1sb0 h ASP 62 Ca 0.12 0.18 -0.01 0.00 -0.62 0.00 0.00 57.03 56.70 1sb0 h ASP 62 Cb 0.17 0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.96 1sb0 h ASP 62 CO -0.23 -0.13 -0.09 -0.08 -3.12 0.00 0.00 179.24 175.59 1sb0 h GLU 63 N 0.17 -0.25 -0.56 3.56 4.57 -1.58 0.21 114.58 120.69 1sb0 h GLU 63 Ca 0.43 0.02 0.11 0.00 -1.18 0.00 0.00 59.36 58.74 1sb0 h GLU 63 Cb 0.77 0.06 -0.09 0.00 -0.16 0.00 0.00 28.75 29.33 1sb0 h GLU 63 CO -0.61 -0.11 -0.01 -0.92 -1.18 0.00 0.00 179.01 176.19 1sb0 h TYR 64 N -0.34 -0.05 0.29 0.92 3.20 0.29 0.18 116.97 121.46 1sb0 h TYR 64 Ca -0.03 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1sb0 h TYR 64 Cb 0.26 0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1sb0 h TYR 64 CO -0.04 -0.15 -0.14 1.88 -1.64 0.00 0.00 178.16 178.07 1sb0 h TYR 65 N 0.11 -0.36 0.20 -3.82 -1.99 -0.69 -2.20 116.97 108.22 1sb0 h TYR 65 Ca 0.29 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 61.02 1sb0 h TYR 65 Cb 0.45 0.12 -0.04 0.00 2.00 0.00 0.00 36.73 39.27 1sb0 h TYR 65 CO -0.35 -0.19 -0.47 1.25 -0.00 0.00 0.00 178.16 178.41 1sb0 h HIS 66 N -0.45 -1.34 0.00 4.88 2.76 0.28 0.10 115.15 121.38 1sb0 h HIS 66 Ca -0.04 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.11 1sb0 h HIS 66 Cb 0.34 0.56 -0.01 0.00 1.55 0.00 0.00 27.41 29.85 1sb0 h HIS 66 CO -0.04 -0.55 -0.24 1.37 -1.30 0.00 0.00 177.93 177.16 1sb0 h LEU 67 N -0.73 0.00 0.13 0.26 8.10 -0.79 0.12 115.31 122.40 1sb0 h LEU 67 Ca -0.02 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.96 1sb0 h LEU 67 Cb 0.71 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.93 1sb0 h LEU 67 CO -0.21 0.24 -0.06 -0.07 -4.11 0.00 0.00 178.44 174.23 1sb0 h LEU 68 N 0.00 -0.15 -0.44 0.17 3.38 -1.05 0.17 115.31 117.39 1sb0 h LEU 68 Ca -0.00 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 57.80 1sb0 h LEU 68 Cb 0.51 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 1sb0 h LEU 68 CO 0.03 0.14 0.14 0.00 0.09 0.00 0.00 178.44 178.85 1sb0 h ALA 69 N 0.36 0.52 -0.66 1.53 0.00 -0.51 -0.04 119.26 120.45 1sb0 h ALA 69 Ca -0.02 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1sb0 h ALA 69 Cb 0.37 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1sb0 h ALA 69 CO 0.03 -0.25 0.44 1.49 0.00 0.00 0.00 179.25 180.96 1sb0 h GLU 70 N 0.30 0.88 0.02 0.00 4.57 -0.76 0.59 114.58 120.19 1sb0 h GLU 70 Ca 0.21 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.35 1sb0 h GLU 70 Cb 0.21 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 1sb0 h GLU 70 CO -0.22 0.59 -0.13 -0.22 -1.18 0.00 0.00 179.01 177.84 1sb0 h LYS 71 N 0.90 -0.22 -0.26 1.92 1.63 0.10 0.12 116.57 120.75 1sb0 h LYS 71 Ca 0.24 0.02 0.06 0.00 -0.85 0.00 0.00 60.65 60.12 1sb0 h LYS 71 Cb -0.10 0.05 -0.07 0.00 -0.60 0.00 0.00 32.23 31.51 1sb0 h LYS 71 CO -0.05 -0.15 -0.27 0.82 -3.45 0.00 0.00 179.45 176.35 1sb0 h ILE 72 N -0.23 0.35 -0.23 2.00 2.04 -0.67 0.43 117.51 121.20 1sb0 h ILE 72 Ca 0.04 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.95 1sb0 h ILE 72 Cb 0.28 0.35 -0.07 0.00 -0.74 0.00 0.00 36.82 36.63 1sb0 h ILE 72 CO -0.12 0.00 -0.41 0.22 0.00 0.00 0.00 178.15 177.84 1sb0 h TYR 73 N -0.26 -1.18 -0.21 1.37 5.03 -0.32 0.94 116.97 122.34 1sb0 h TYR 73 Ca 0.14 0.05 0.02 0.00 2.58 0.00 0.00 58.73 61.53 1sb0 h TYR 73 Cb 0.49 0.55 -0.02 0.00 1.55 0.00 0.00 36.73 39.29 1sb0 h TYR 73 CO -0.43 -0.46 0.06 0.87 -1.32 0.00 0.00 178.16 176.89 1sb0 h LYS 74 N -0.42 0.16 0.09 1.82 1.57 -0.46 0.10 116.57 119.42 1sb0 h LYS 74 Ca 0.10 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1sb0 h LYS 74 Cb 0.60 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.84 1sb0 h LYS 74 CO -0.46 0.10 -0.32 0.82 -0.57 0.00 0.00 179.45 179.02 1sb0 h ILE 75 N 0.16 0.31 -0.10 1.86 2.04 -0.24 0.13 117.51 121.67 1sb0 h ILE 75 Ca 0.09 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.00 1sb0 h ILE 75 Cb 0.07 0.31 -0.06 0.00 -0.74 0.00 0.00 36.82 36.40 1sb0 h ILE 75 CO -0.10 0.00 -0.30 1.56 0.00 0.00 0.00 178.15 179.31 1sb0 h GLN 76 N -0.53 -0.38 0.07 2.37 1.08 -0.55 0.17 115.11 117.35 1sb0 h GLN 76 Ca 0.04 0.03 0.02 0.00 -1.45 0.00 0.00 58.65 57.28 1sb0 h GLN 76 Cb 0.58 0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 28.04 1sb0 h GLN 76 CO -0.21 -0.25 -0.47 0.87 -0.95 0.00 0.00 178.83 177.82 1sb0 h LYS 77 N -0.39 -0.65 -0.06 1.46 1.79 -0.64 0.30 116.57 118.39 1sb0 h LYS 77 Ca 0.09 0.04 0.04 0.00 -2.18 0.00 0.00 60.65 58.64 1sb0 h LYS 77 Cb 0.53 0.15 -0.06 0.00 -1.58 0.00 0.00 32.23 31.27 1sb0 h LYS 77 CO -0.32 -0.43 -0.37 0.93 -1.08 0.00 0.00 179.45 178.17 1sb0 h GLU 78 N -0.67 -0.47 0.78 3.15 4.39 -0.43 0.06 114.58 121.38 1sb0 h GLU 78 Ca 0.02 0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.71 1sb0 h GLU 78 Cb 0.71 0.11 0.01 0.00 -0.10 0.00 0.00 28.75 29.48 1sb0 h GLU 78 CO -0.29 -0.32 -0.37 -0.07 -1.16 0.00 0.00 179.01 176.80 1sb0 h LEU 79 N -0.49 -0.88 -0.08 1.33 -0.00 -0.49 -2.25 115.31 112.44 1sb0 h LEU 79 Ca 0.07 0.03 0.03 0.00 -0.00 0.00 0.00 57.88 58.00 1sb0 h LEU 79 Cb 0.60 0.23 -0.06 0.00 -0.00 0.00 0.00 40.66 41.43 1sb0 h LEU 79 CO -0.33 -0.55 -0.52 -0.08 -0.00 0.00 0.00 178.44 176.96 1sb0 h GLU 80 N -1.20 -0.57 -0.19 1.13 4.81 -0.38 0.17 114.58 118.35 1sb0 h GLU 80 Ca -0.11 0.04 -0.21 0.00 -0.13 0.00 0.00 59.36 58.95 1sb0 h GLU 80 Cb 0.80 0.13 0.01 0.00 0.63 0.00 0.00 28.75 30.32 1sb0 h GLU 80 CO 0.17 -0.38 -0.71 0.93 -0.73 0.00 0.00 179.01 178.29 1sb0 h GLU 81 N -0.59 0.82 0.00 1.92 5.08 -1.08 0.22 114.58 120.95 1sb0 h GLU 81 Ca 0.02 -0.62 -0.46 0.00 -1.00 0.00 0.00 59.36 57.30 1sb0 h GLU 81 Cb 0.67 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.96 1sb0 h GLU 81 CO -0.39 1.24 -2.53 1.63 -1.00 0.00 0.00 179.01 177.96 1sb0 n LYS 82 N -3.95 0.58 -0.08 2.33 5.02 -0.85 -4.48 118.16 116.73 1sb0 n LYS 82 Ca -0.06 0.26 -0.13 0.00 -2.02 0.00 0.00 58.31 56.35 1sb0 n LYS 82 Cb 0.71 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 34.14 1sb0 n LYS 82 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sb0 h ARG 83 N -0.99 0.00 0.00 1.97 -0.00 -0.98 -3.42 114.38 110.96 1sb0 h ARG 83 Ca -0.70 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 58.78 1sb0 h ARG 83 Cb 1.61 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.58 1sb0 h ARG 83 CO -0.42 0.80 -0.09 0.00 0.00 0.00 0.00 179.97 180.26 1sb0 h ARG 84 N -1.00 0.00 0.00 0.04 3.08 -0.85 -3.47 114.38 112.18 1sb0 h ARG 84 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1sb0 h ARG 84 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.95 1sb0 h ARG 84 CO -0.05 0.00 0.00 0.45 -1.07 0.00 0.00 179.97 179.30 1sb0 n SER 85 N -4.59 0.00 0.09 7.04 2.88 0.77 -0.32 113.62 119.49 1sb0 n SER 85 Ca -0.01 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.60 1sb0 n SER 85 Cb 0.05 0.00 0.53 0.00 -0.75 0.00 0.00 64.21 64.04 1sb0 n SER 85 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1sb0 h ARG 86 N 0.00 0.28 0.00 -1.46 -0.00 -1.90 -3.50 114.38 107.80 1sb0 h ARG 86 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.46 1sb0 h ARG 86 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 29.97 29.91 1sb0 h ARG 86 CO 0.00 0.18 0.00 -0.11 0.00 0.00 0.00 179.97 180.04