#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 3.00 0.20 1.61 0.24 -1.26 -4.76 118.33 117.37 1sb0 n VAL 2 Ca 0.00 -2.26 0.06 0.00 -2.04 0.00 0.00 64.34 60.11 1sb0 n VAL 2 Cb 0.00 -2.45 0.57 0.00 -1.47 0.00 0.00 33.84 30.49 1sb0 n VAL 2 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 1sb0 h ARG 3 N 6.36 0.10 -6.28 7.34 0.11 -2.01 -3.41 114.38 116.60 1sb0 h ARG 3 Ca 0.58 -0.01 -0.67 0.00 0.10 0.00 0.00 59.98 59.98 1sb0 h ARG 3 Cb 0.49 -0.02 -0.16 0.00 1.11 0.00 0.00 29.97 31.39 1sb0 h ARG 3 CO 1.81 0.11 -0.69 0.15 0.10 0.00 0.00 179.97 181.45 1sb0 s LYS 4 N -5.03 2.58 0.29 0.08 -0.14 -1.26 -5.02 119.74 111.23 1sb0 s LYS 4 Ca -0.05 -0.72 0.03 0.00 -1.36 0.00 0.00 55.97 53.87 1sb0 s LYS 4 Cb 0.17 -2.53 0.65 0.00 -1.68 0.00 0.00 37.83 34.44 1sb0 s LYS 4 CO 0.69 0.60 1.78 0.78 -0.76 0.00 0.00 175.35 178.43 1sb0 h GLY 5 N 4.38 1.64 1.96 -3.33 0.00 -1.96 0.33 103.07 106.10 1sb0 h GLY 5 Ca -0.48 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.52 1sb0 h GLY 5 CO 0.55 -0.04 0.00 -2.67 0.00 0.00 0.00 176.54 174.38 1sb0 n TRP 6 N -4.79 0.00 -0.22 5.60 4.27 -1.26 -3.80 117.44 117.24 1sb0 n TRP 6 Ca 0.21 0.00 0.03 0.00 -3.89 0.00 0.00 57.50 53.85 1sb0 n TRP 6 Cb 0.51 -0.48 0.14 0.00 -1.36 0.00 0.00 31.31 30.12 1sb0 n TRP 6 CO 0.00 0.00 0.00 1.25 -2.29 0.00 0.00 177.69 176.65 1sb0 h HIS 7 N 0.00 0.22 -0.92 -2.67 2.76 -1.24 0.51 115.15 113.81 1sb0 h HIS 7 Ca 0.00 0.04 0.26 0.00 -2.20 0.00 0.00 60.37 58.47 1sb0 h HIS 7 Cb 0.40 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.32 1sb0 h HIS 7 CO 0.00 -0.06 0.66 1.05 -1.30 0.00 0.00 177.93 178.27 1sb0 h GLU 8 N 0.26 0.04 0.13 5.26 4.11 -1.74 -0.24 114.58 122.39 1sb0 h GLU 8 Ca 0.36 -0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.56 1sb0 h GLU 8 Cb 0.59 -0.01 0.03 0.00 0.50 0.00 0.00 28.75 29.85 1sb0 h GLU 8 CO -0.46 0.03 -0.99 0.45 0.07 0.00 0.00 179.01 178.11 1sb0 h HIS 9 N 0.04 0.74 -3.60 2.06 3.86 -1.17 -3.40 115.15 113.68 1sb0 h HIS 9 Ca 0.44 -0.50 -0.78 0.00 -1.16 0.00 0.00 60.37 58.38 1sb0 h HIS 9 Cb 1.71 -0.05 -0.25 0.00 1.06 0.00 0.00 27.41 29.88 1sb0 h HIS 9 CO -0.00 1.36 0.23 0.08 0.86 0.00 0.00 177.93 180.46 1sb0 s VAL 10 N -2.72 5.50 1.09 2.45 1.01 -0.10 -5.04 120.40 122.59 1sb0 s VAL 10 Ca -0.12 -2.38 -0.12 0.00 0.00 0.00 0.00 61.98 59.36 1sb0 s VAL 10 Cb 0.03 -4.52 0.23 0.00 0.00 0.00 0.00 36.38 32.12 1sb0 s VAL 10 CO 0.87 -1.11 1.00 0.35 0.00 0.00 0.00 175.10 176.21 1sb0 n THR 11 N 4.15 0.00 -0.07 3.92 -2.24 -1.25 -4.70 114.28 114.10 1sb0 n THR 11 Ca 0.16 -0.30 -0.08 0.00 -2.27 0.00 0.00 64.05 61.56 1sb0 n THR 11 Cb 0.47 -0.97 -0.01 0.00 -2.10 0.00 0.00 70.33 67.71 1sb0 n THR 11 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1sb0 h GLN 12 N -2.40 0.22 -0.39 -0.78 1.08 -1.97 0.41 115.11 111.28 1sb0 h GLN 12 Ca -0.55 -0.01 0.05 0.00 -1.45 0.00 0.00 58.65 56.69 1sb0 h GLN 12 Cb 1.31 -0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 28.65 1sb0 h GLN 12 CO 0.46 0.15 0.11 0.38 -0.95 0.00 0.00 178.83 178.98 1sb0 h ASP 13 N 0.23 0.09 -0.11 1.46 2.03 -1.98 0.43 116.42 118.56 1sb0 h ASP 13 Ca 0.11 0.05 -0.00 0.00 -0.73 0.00 0.00 57.03 56.46 1sb0 h ASP 13 Cb 0.06 0.05 -0.01 0.00 -0.83 0.00 0.00 39.33 38.61 1sb0 h ASP 13 CO -0.10 0.09 0.06 0.25 -1.03 0.00 0.00 179.24 178.51 1sb0 h LEU 14 N 0.26 0.14 -1.44 0.15 5.85 -1.73 0.44 115.31 118.97 1sb0 h LEU 14 Ca 0.18 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1sb0 h LEU 14 Cb 0.19 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1sb0 h LEU 14 CO -0.21 0.17 0.26 0.08 -0.34 0.00 0.00 178.44 178.39 1sb0 h ARG 15 N 0.09 0.64 -0.29 1.25 0.11 -0.75 0.17 114.38 115.61 1sb0 h ARG 15 Ca 0.04 -0.06 0.02 0.00 0.10 0.00 0.00 59.98 60.08 1sb0 h ARG 15 Cb 0.06 -0.13 -0.02 0.00 1.11 0.00 0.00 29.97 30.98 1sb0 h ARG 15 CO -0.01 0.47 0.13 0.77 0.10 0.00 0.00 179.97 181.43 1sb0 h SER 16 N 0.65 0.19 -0.83 0.08 0.02 -0.39 0.14 113.55 113.41 1sb0 h SER 16 Ca 0.17 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.11 1sb0 h SER 16 Cb 0.02 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 1sb0 h SER 16 CO -0.03 0.15 0.41 -0.74 -1.14 0.00 0.00 176.83 175.48 1sb0 h HIS 17 N 0.28 1.19 -0.21 3.45 -0.00 0.34 0.04 115.15 120.25 1sb0 h HIS 17 Ca 0.12 -0.05 -0.02 0.00 -0.00 0.00 0.00 60.37 60.42 1sb0 h HIS 17 Cb 0.05 -0.37 -0.01 0.00 -0.00 0.00 0.00 27.41 27.08 1sb0 h HIS 17 CO -0.10 0.86 0.05 -0.07 -0.00 0.00 0.00 177.93 178.67 1sb0 h LEU 18 N 1.19 0.31 -0.50 0.26 3.38 -0.40 0.76 115.31 120.31 1sb0 h LEU 18 Ca 0.29 -0.22 0.10 0.00 0.09 0.00 0.00 57.88 58.13 1sb0 h LEU 18 Cb 0.10 -0.08 -0.10 0.00 0.09 0.00 0.00 40.66 40.67 1sb0 h LEU 18 CO -0.04 0.46 -0.21 0.58 0.09 0.00 0.00 178.44 179.32 1sb0 h VAL 19 N 0.16 0.35 -0.24 1.22 2.07 -0.39 0.88 116.25 120.29 1sb0 h VAL 19 Ca 0.07 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.65 1sb0 h VAL 19 Cb 0.26 0.35 -0.07 0.00 -1.52 0.00 0.00 31.29 30.31 1sb0 h VAL 19 CO 0.00 0.00 -0.24 -0.74 0.02 0.00 0.00 177.57 176.61 1sb0 h HIS 20 N -0.10 -0.65 -0.81 1.57 -0.00 -0.62 -1.20 115.15 113.34 1sb0 h HIS 20 Ca 0.23 0.04 0.14 0.00 -0.00 0.00 0.00 60.37 60.79 1sb0 h HIS 20 Cb 0.46 0.32 -0.09 0.00 -0.00 0.00 0.00 27.41 28.10 1sb0 h HIS 20 CO -0.50 -0.32 0.39 0.87 -0.00 0.00 0.00 177.93 178.37 1sb0 h LYS 21 N -0.25 0.54 0.09 5.26 1.79 0.37 0.48 116.57 124.84 1sb0 h LYS 21 Ca 0.14 -0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.59 1sb0 h LYS 21 Cb 0.46 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.96 1sb0 h LYS 21 CO -0.39 0.36 -0.22 -0.07 -1.08 0.00 0.00 179.45 178.05 1sb0 h LEU 22 N 0.55 -0.61 -0.18 2.94 3.38 0.23 0.13 115.31 121.75 1sb0 h LEU 22 Ca 0.44 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.54 1sb0 h LEU 22 Cb 0.64 0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.57 1sb0 h LEU 22 CO -0.38 -0.30 -0.20 0.58 0.09 0.00 0.00 178.44 178.23 1sb0 h VAL 23 N -0.40 0.48 -0.30 1.22 2.07 -0.12 0.16 116.25 119.37 1sb0 h VAL 23 Ca 0.03 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.61 1sb0 h VAL 23 Cb 0.43 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 1sb0 h VAL 23 CO -0.13 0.00 -0.05 1.56 0.02 0.00 0.00 177.57 178.97 1sb0 h GLN 24 N -0.23 0.03 -0.55 1.57 1.08 -0.61 0.26 115.11 116.66 1sb0 h GLN 24 Ca 0.12 -0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.26 1sb0 h GLN 24 Cb 0.41 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.81 1sb0 h GLN 24 CO -0.32 0.02 0.09 0.00 -0.95 0.00 0.00 178.83 177.67 1sb0 h ALA 25 N 1.28 1.14 -0.20 3.87 0.00 -0.19 -1.77 119.26 123.40 1sb0 h ALA 25 Ca 0.14 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1sb0 h ALA 25 Cb 0.21 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1sb0 h ALA 25 CO -0.28 0.57 -0.35 0.82 0.00 0.00 0.00 179.25 180.01 1sb0 h ILE 26 N 0.82 1.33 -0.69 0.00 2.04 -0.64 -3.46 117.51 116.91 1sb0 h ILE 26 Ca 0.17 -1.57 0.11 0.00 1.00 0.00 0.00 64.86 64.57 1sb0 h ILE 26 Cb 0.36 1.85 -0.20 0.00 -0.74 0.00 0.00 36.82 38.09 1sb0 h ILE 26 CO 0.01 0.48 -0.23 0.12 0.00 0.00 0.00 178.15 178.53 1sb0 s PHE 27 N -4.10 -1.29 0.02 1.37 5.36 0.89 -5.08 117.98 115.15 1sb0 s PHE 27 Ca -0.13 0.75 -0.36 0.00 -0.96 0.00 0.00 56.93 56.23 1sb0 s PHE 27 Cb 0.07 0.22 -0.15 0.00 -0.34 0.00 0.00 43.02 42.82 1sb0 s PHE 27 CO 0.82 -0.75 1.53 -2.30 -1.46 0.00 0.00 175.22 173.06 1sb0 n PRO 28 N 5.29 1.51 -2.06 10.12 -0.02 -0.71 -4.06 135.00 145.08 1sb0 n PRO 28 Ca 0.07 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.67 1sb0 n PRO 28 Cb 0.56 -2.25 -0.03 0.00 -0.02 0.00 0.00 33.50 31.76 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 1.50 3.55 0.27 3.45 -4.23 -1.26 -4.91 115.64 114.01 1sb0 s THR 29 Ca 0.86 0.79 -0.00 0.00 -1.18 0.00 0.00 61.69 62.16 1sb0 s THR 29 Cb -0.88 -3.51 0.25 0.00 1.34 0.00 0.00 72.50 69.70 1sb0 s THR 29 CO 0.48 -0.05 1.74 -0.65 -0.54 0.00 0.00 174.62 175.61 1sb0 h PRO 30 N 8.92 0.52 -1.91 3.99 0.11 -1.99 -3.44 132.00 138.20 1sb0 h PRO 30 Ca -0.39 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 1sb0 h PRO 30 Cb 1.18 -0.12 -0.21 0.00 0.11 0.00 0.00 31.00 31.96 1sb0 h PRO 30 CO 0.94 0.35 0.23 0.34 -0.21 0.00 0.00 178.00 179.65 1sb0 s ASP 31 N -5.35 -0.65 0.29 -2.05 -1.08 -1.26 -5.03 116.67 101.55 1sb0 s ASP 31 Ca -0.12 1.01 0.02 0.00 -0.52 0.00 0.00 52.55 52.94 1sb0 s ASP 31 Cb 0.22 0.95 0.73 0.00 -1.46 0.00 0.00 42.92 43.36 1sb0 s ASP 31 CO 0.78 -0.38 1.62 -0.65 0.52 0.00 0.00 175.17 177.06 1sb0 h PRO 32 N 3.93 0.12 -0.82 4.34 0.11 -2.03 0.12 132.00 137.77 1sb0 h PRO 32 Ca -0.27 -0.01 0.17 0.00 0.11 0.00 0.00 66.00 66.00 1sb0 h PRO 32 Cb 1.15 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 1sb0 h PRO 32 CO 0.21 0.08 0.54 0.00 -0.21 0.00 0.00 178.00 178.62 1sb0 h ALA 33 N 1.84 2.15 -0.49 -0.75 0.00 -2.00 -0.97 119.26 119.05 1sb0 h ALA 33 Ca 0.57 0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.63 1sb0 h ALA 33 Cb 1.17 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1sb0 h ALA 33 CO -0.74 -0.39 0.36 0.00 0.00 0.00 0.00 179.25 178.48 1sb0 h ALA 34 N 1.63 2.46 -0.35 0.00 0.00 -1.16 -1.20 119.26 120.64 1sb0 h ALA 34 Ca 0.41 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.41 1sb0 h ALA 34 Cb 0.98 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1sb0 h ALA 34 CO -0.14 -0.61 0.44 -0.07 0.00 0.00 0.00 179.25 178.87 1sb0 h LEU 35 N 0.00 0.00 -1.26 0.00 3.38 -1.28 0.18 115.31 116.33 1sb0 h LEU 35 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1sb0 h LEU 35 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1sb0 h LEU 35 CO -0.00 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.64 1sb0 h LYS 36 N 0.00 0.00 -5.91 1.13 1.57 -1.42 -3.36 116.57 108.59 1sb0 h LYS 36 Ca 0.17 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.32 1sb0 h LYS 36 Cb 1.04 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.29 1sb0 h LYS 36 CO -0.00 0.00 -0.26 0.34 -0.57 0.00 0.00 179.45 178.95 1sb0 s ASP 37 N -5.06 6.70 0.12 0.86 -1.08 0.05 -4.91 116.67 113.35 1sb0 s ASP 37 Ca 0.02 0.84 -0.08 0.00 -0.52 0.00 0.00 52.55 52.80 1sb0 s ASP 37 Cb 0.09 -2.21 0.13 0.00 -1.46 0.00 0.00 42.92 39.47 1sb0 s ASP 37 CO 0.47 0.33 0.78 0.54 0.52 0.00 0.00 175.17 177.80 1sb0 n ARG 38 N 1.97 -0.11 -0.32 4.34 5.12 -1.26 -0.38 116.66 126.01 1sb0 n ARG 38 Ca -0.15 0.77 0.06 0.00 -1.93 0.00 0.00 57.85 56.61 1sb0 n ARG 38 Cb 0.53 -1.15 0.22 0.00 -1.16 0.00 0.00 32.46 30.90 1sb0 n ARG 38 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 1sb0 h ARG 39 N 0.00 0.79 0.08 5.56 9.65 -1.94 -1.06 114.38 127.46 1sb0 h ARG 39 Ca 0.18 -0.05 -0.12 0.00 -1.10 0.00 0.00 59.98 58.90 1sb0 h ARG 39 Cb 0.31 -0.18 0.01 0.00 -1.39 0.00 0.00 29.97 28.72 1sb0 h ARG 39 CO -0.50 0.52 -0.53 0.52 2.80 0.00 0.00 179.97 182.78 1sb0 h MET 40 N 0.82 0.16 -1.03 0.20 2.86 -0.95 -3.38 114.93 113.62 1sb0 h MET 40 Ca 0.47 -0.28 0.26 0.00 -2.06 0.00 0.00 59.70 58.09 1sb0 h MET 40 Cb 0.53 0.10 -0.11 0.00 0.06 0.00 0.00 31.60 32.18 1sb0 h MET 40 CO -0.30 1.13 0.63 0.93 1.06 0.00 0.00 176.91 180.37 1sb0 h GLU 41 N -0.65 0.47 -0.35 1.72 5.08 -0.31 0.41 114.58 120.95 1sb0 h GLU 41 Ca -0.10 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.28 1sb0 h GLU 41 Cb 1.37 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.47 1sb0 h GLU 41 CO 0.07 0.31 0.09 -0.91 -1.00 0.00 0.00 179.01 177.57 1sb0 h ASN 42 N 0.48 0.06 -0.32 1.42 2.35 -1.39 0.17 115.58 118.35 1sb0 h ASN 42 Ca 0.64 0.05 -0.13 0.00 -0.55 0.00 0.00 56.30 56.31 1sb0 h ASN 42 Cb 1.40 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.82 1sb0 h ASN 42 CO -0.41 0.07 -0.31 -0.07 -1.65 0.00 0.00 177.43 175.05 1sb0 h LEU 43 N 0.22 0.83 -0.18 1.61 4.07 -0.46 0.18 115.31 121.58 1sb0 h LEU 43 Ca 0.16 -0.47 0.05 0.00 0.08 0.00 0.00 57.88 57.71 1sb0 h LEU 43 Cb 0.17 -0.23 -0.05 0.00 1.08 0.00 0.00 40.66 41.63 1sb0 h LEU 43 CO -0.20 1.13 -0.14 0.58 -1.08 0.00 0.00 178.44 178.73 1sb0 h VAL 44 N 0.55 0.60 0.25 1.22 2.07 -0.79 0.19 116.25 120.34 1sb0 h VAL 44 Ca 0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 1sb0 h VAL 44 Cb 0.89 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1sb0 h VAL 44 CO 0.08 0.00 -0.19 0.00 0.02 0.00 0.00 177.57 177.48 1sb0 h ALA 45 N 0.97 -0.43 -0.40 1.67 0.00 -0.52 0.63 119.26 121.19 1sb0 h ALA 45 Ca 0.11 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.02 1sb0 h ALA 45 Cb 0.31 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 1sb0 h ALA 45 CO -0.27 -0.76 -0.03 -0.92 0.00 0.00 0.00 179.25 177.27 1sb0 h TYR 46 N -0.45 -0.08 -0.29 0.00 3.20 -0.75 0.67 116.97 119.27 1sb0 h TYR 46 Ca -0.02 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.89 1sb0 h TYR 46 Cb 0.39 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 1sb0 h TYR 46 CO -0.11 -0.11 0.18 0.00 -1.64 0.00 0.00 178.16 176.48 1sb0 h ALA 47 N 1.37 0.37 -0.02 1.82 0.00 -0.35 0.13 119.26 122.58 1sb0 h ALA 47 Ca 0.20 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1sb0 h ALA 47 Cb 0.29 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1sb0 h ALA 47 CO -0.35 -0.18 -0.20 0.87 0.00 0.00 0.00 179.25 179.38 1sb0 h LYS 48 N 0.37 -0.30 0.04 0.00 1.57 -0.37 0.12 116.57 118.01 1sb0 h LYS 48 Ca 0.11 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.94 1sb0 h LYS 48 Cb -0.02 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 1sb0 h LYS 48 CO -0.04 -0.20 -0.34 0.87 -0.57 0.00 0.00 179.45 179.17 1sb0 h LYS 49 N -0.31 -0.50 -0.33 3.15 1.57 -0.50 0.12 116.57 119.77 1sb0 h LYS 49 Ca 0.06 0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.83 1sb0 h LYS 49 Cb 0.39 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1sb0 h LYS 49 CO -0.20 -0.33 0.01 -0.24 -0.57 0.00 0.00 179.45 178.12 1sb0 h VAL 50 N -0.52 1.26 -0.44 0.50 3.04 -0.60 0.42 116.25 119.91 1sb0 h VAL 50 Ca 0.05 -0.94 0.05 0.00 -1.01 0.00 0.00 66.70 64.85 1sb0 h VAL 50 Cb 0.59 1.23 -0.04 0.00 -2.01 0.00 0.00 31.29 31.05 1sb0 h VAL 50 CO -0.25 0.31 0.18 -0.08 -1.01 0.00 0.00 177.57 176.72 1sb0 h GLU 51 N 0.38 0.35 -0.15 4.17 4.22 -0.68 -0.34 114.58 122.53 1sb0 h GLU 51 Ca 0.09 -0.02 0.04 0.00 0.08 0.00 0.00 59.36 59.55 1sb0 h GLU 51 Cb 0.43 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.54 1sb0 h GLU 51 CO 0.02 0.23 -0.48 0.78 -2.18 0.00 0.00 179.01 177.38 1sb0 h GLY 52 N 0.37 -0.86 -0.11 1.92 0.00 -0.28 0.17 103.07 104.27 1sb0 h GLY 52 Ca 0.20 0.59 0.10 0.00 0.00 0.00 0.00 47.33 48.22 1sb0 h GLY 52 CO -0.18 -0.21 -0.19 -1.80 0.00 0.00 0.00 176.54 174.16 1sb0 h ASP 53 N -0.52 -0.67 -0.58 0.19 3.58 -0.34 0.17 116.42 118.25 1sb0 h ASP 53 Ca 0.06 0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.68 1sb0 h ASP 53 Cb 0.65 0.39 -0.03 0.00 1.72 0.00 0.00 39.33 42.06 1sb0 h ASP 53 CO -0.43 -0.22 0.33 0.24 -2.88 0.00 0.00 179.24 176.28 1sb0 h MET 54 N -0.08 0.79 -0.50 0.28 2.86 -0.60 0.54 114.93 118.21 1sb0 h MET 54 Ca 0.24 -0.08 0.03 0.00 -2.06 0.00 0.00 59.70 57.83 1sb0 h MET 54 Cb 0.44 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.90 1sb0 h MET 54 CO -0.55 0.59 0.28 -0.92 1.06 0.00 0.00 176.91 177.36 1sb0 h TYR 55 N 0.78 0.51 -0.39 -0.22 5.03 0.64 0.24 116.97 123.55 1sb0 h TYR 55 Ca 0.20 0.02 -0.13 0.00 2.58 0.00 0.00 58.73 61.40 1sb0 h TYR 55 Cb 0.01 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.12 1sb0 h TYR 55 CO -0.02 0.27 -0.29 0.93 -1.32 0.00 0.00 178.16 177.73 1sb0 h GLU 56 N 0.54 0.85 -0.08 1.82 4.39 -0.77 -3.29 114.58 118.04 1sb0 h GLU 56 Ca 0.21 -0.39 -0.08 0.00 0.34 0.00 0.00 59.36 59.44 1sb0 h GLU 56 Cb 0.08 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1sb0 h GLU 56 CO -0.12 1.03 -0.27 0.77 -1.16 0.00 0.00 179.01 179.26 1sb0 h SER 57 N 0.72 0.37 -2.48 1.42 0.02 -0.40 -3.45 113.55 109.74 1sb0 h SER 57 Ca 0.08 -0.62 -0.56 0.00 -0.84 0.00 0.00 61.79 59.85 1sb0 h SER 57 Cb 0.84 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 1sb0 h SER 57 CO 0.07 0.93 1.23 0.00 -1.14 0.00 0.00 176.83 177.92 1sb0 s ALA 58 N -3.74 3.28 -0.65 3.77 0.00 0.79 -4.87 121.76 120.34 1sb0 s ALA 58 Ca -0.14 0.81 0.06 0.00 0.00 0.00 0.00 51.96 52.69 1sb0 s ALA 58 Cb 0.04 -3.88 0.36 0.00 0.00 0.00 0.00 23.12 19.63 1sb0 s ALA 58 CO 0.76 -1.96 1.07 0.09 0.00 0.00 0.00 175.76 175.72 1sb0 n ASN 59 N 8.74 3.12 -3.57 0.00 3.02 -1.26 -4.81 115.26 120.50 1sb0 n ASN 59 Ca 0.21 -2.42 -0.11 0.00 -0.03 0.00 0.00 54.58 52.22 1sb0 n ASN 59 Cb 0.44 -0.59 -0.05 0.00 -0.61 0.00 0.00 39.78 38.97 1sb0 n ASN 59 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1sb0 s SER 60 N -0.33 -0.40 0.25 6.41 0.15 -1.26 -4.98 113.70 113.53 1sb0 s SER 60 Ca 0.24 0.42 -0.04 0.00 0.70 0.00 0.00 55.95 57.28 1sb0 s SER 60 Cb 0.19 0.33 0.40 0.00 -1.71 0.00 0.00 66.02 65.23 1sb0 s SER 60 CO 0.07 -0.39 1.84 -0.09 1.20 0.00 0.00 173.24 175.87 1sb0 h ARG 61 N 2.59 0.90 -0.19 5.44 2.43 -1.90 0.32 114.38 123.97 1sb0 h ARG 61 Ca -0.19 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 58.95 1sb0 h ARG 61 Cb 1.16 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.48 1sb0 h ARG 61 CO 0.32 0.59 -0.00 0.22 -1.51 0.00 0.00 179.97 179.59 1sb0 h ASP 62 N 0.92 -0.07 0.27 -3.80 3.58 -1.99 0.56 116.42 115.90 1sb0 h ASP 62 Ca 0.41 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.90 1sb0 h ASP 62 Cb 0.29 0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.40 1sb0 h ASP 62 CO -0.22 -0.01 -0.26 -0.08 -2.88 0.00 0.00 179.24 175.79 1sb0 h GLU 63 N 0.06 -0.54 -0.56 0.28 4.81 -1.82 -0.12 114.58 116.69 1sb0 h GLU 63 Ca 0.09 0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.46 1sb0 h GLU 63 Cb 0.11 0.12 -0.11 0.00 0.63 0.00 0.00 28.75 29.50 1sb0 h GLU 63 CO -0.15 -0.36 -0.24 -0.92 -0.73 0.00 0.00 179.01 176.61 1sb0 h TYR 64 N -0.56 -0.60 0.32 0.92 3.20 -0.54 0.19 116.97 119.90 1sb0 h TYR 64 Ca -0.01 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 1sb0 h TYR 64 Cb 0.52 0.35 -0.00 0.00 1.54 0.00 0.00 36.73 39.13 1sb0 h TYR 64 CO -0.17 -0.32 -0.18 1.88 -1.64 0.00 0.00 178.16 177.73 1sb0 h TYR 65 N -0.10 -0.47 0.16 -3.82 0.05 -0.75 -2.39 116.97 109.65 1sb0 h TYR 65 Ca 0.25 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.03 1sb0 h TYR 65 Cb 0.50 0.17 -0.03 0.00 1.01 0.00 0.00 36.73 38.38 1sb0 h TYR 65 CO -0.54 -0.29 -0.35 1.25 -1.05 0.00 0.00 178.16 177.17 1sb0 h HIS 66 N -0.47 -1.02 0.00 4.88 2.76 0.44 -0.62 115.15 121.13 1sb0 h HIS 66 Ca -0.04 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.12 1sb0 h HIS 66 Cb 0.38 0.42 -0.01 0.00 1.55 0.00 0.00 27.41 29.76 1sb0 h HIS 66 CO -0.08 -0.42 -0.18 1.37 -1.30 0.00 0.00 177.93 177.32 1sb0 h LEU 67 N -0.56 0.00 0.23 0.26 8.10 -0.78 0.11 115.31 122.67 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 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.76 1sb0 h LEU 67 CO -0.15 0.18 -0.11 -0.07 -4.11 0.00 0.00 178.44 174.18 1sb0 h LEU 68 N 0.00 -0.27 -0.60 0.17 3.38 -1.19 0.19 115.31 117.00 1sb0 h LEU 68 Ca -0.00 -0.19 0.08 0.00 0.09 0.00 0.00 57.88 57.86 1sb0 h LEU 68 Cb 0.49 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.25 1sb0 h LEU 68 CO 0.02 0.05 0.26 0.00 0.09 0.00 0.00 178.44 178.87 1sb0 h ALA 69 N 0.07 0.78 -0.72 1.53 0.00 -0.52 0.23 119.26 120.62 1sb0 h ALA 69 Ca -0.03 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1sb0 h ALA 69 Cb 0.44 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1sb0 h ALA 69 CO 0.05 -0.13 0.43 1.49 0.00 0.00 0.00 179.25 181.09 1sb0 h GLU 70 N 0.48 0.98 0.17 0.00 4.81 -0.78 0.26 114.58 120.50 1sb0 h GLU 70 Ca 0.29 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1sb0 h GLU 70 Cb 0.29 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1sb0 h GLU 70 CO -0.25 0.70 -0.13 -0.22 -0.73 0.00 0.00 179.01 178.38 1sb0 h LYS 71 N 0.98 -0.29 -0.20 1.92 1.63 0.44 0.16 116.57 121.20 1sb0 h LYS 71 Ca 0.26 0.02 0.06 0.00 -0.85 0.00 0.00 60.65 60.13 1sb0 h LYS 71 Cb -0.02 0.07 -0.07 0.00 -0.60 0.00 0.00 32.23 31.60 1sb0 h LYS 71 CO -0.05 -0.20 -0.32 0.82 -3.45 0.00 0.00 179.45 176.25 1sb0 h ILE 72 N -0.30 0.27 -0.29 2.00 2.04 -0.77 0.65 117.51 121.11 1sb0 h ILE 72 Ca -0.01 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.92 1sb0 h ILE 72 Cb 0.27 0.27 -0.08 0.00 -0.74 0.00 0.00 36.82 36.54 1sb0 h ILE 72 CO -0.00 0.00 -0.23 0.22 0.00 0.00 0.00 178.15 178.13 1sb0 h TYR 73 N -0.36 -0.62 -0.04 1.37 5.03 -0.65 -0.18 116.97 121.52 1sb0 h TYR 73 Ca 0.11 0.04 0.02 0.00 2.58 0.00 0.00 58.73 61.49 1sb0 h TYR 73 Cb 0.54 0.32 -0.02 0.00 1.55 0.00 0.00 36.73 39.12 1sb0 h TYR 73 CO -0.44 -0.31 -0.08 0.87 -1.32 0.00 0.00 178.16 176.87 1sb0 h LYS 74 N -0.21 -0.12 -0.04 1.82 1.79 -0.27 0.12 116.57 119.65 1sb0 h LYS 74 Ca 0.15 0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.66 1sb0 h LYS 74 Cb 0.45 0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 31.07 1sb0 h LYS 74 CO -0.42 -0.08 -0.45 0.82 -1.08 0.00 0.00 179.45 178.24 1sb0 h ILE 75 N -0.13 0.11 0.10 1.86 2.04 -0.18 0.28 117.51 121.59 1sb0 h ILE 75 Ca 0.05 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.92 1sb0 h ILE 75 Cb 0.19 0.11 -0.05 0.00 -0.74 0.00 0.00 36.82 36.33 1sb0 h ILE 75 CO -0.11 0.00 -0.47 1.56 0.00 0.00 0.00 178.15 179.12 1sb0 h GLN 76 N -0.58 -0.67 0.35 2.37 1.08 -0.78 0.69 115.11 117.58 1sb0 h GLN 76 Ca 0.05 0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.29 1sb0 h GLN 76 Cb 0.67 0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 28.23 1sb0 h GLN 76 CO -0.35 -0.44 -0.30 0.87 -0.95 0.00 0.00 178.83 177.65 1sb0 h LYS 77 N -0.69 -0.64 0.02 1.46 1.79 -0.47 0.07 116.57 118.10 1sb0 h LYS 77 Ca 0.01 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1sb0 h LYS 77 Cb 0.72 0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 31.51 1sb0 h LYS 77 CO -0.28 -0.43 -0.02 0.93 -1.08 0.00 0.00 179.45 178.57 1sb0 h GLU 78 N -0.67 -0.05 -0.58 3.15 4.39 -0.41 0.16 114.58 120.57 1sb0 h GLU 78 Ca -0.03 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.59 1sb0 h GLU 78 Cb 0.59 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 1sb0 h GLU 78 CO -0.03 -0.03 0.03 1.25 -1.16 0.00 0.00 179.01 179.06 1sb0 h LEU 79 N -0.05 0.96 0.72 1.33 5.85 -0.76 -2.99 115.31 120.37 1sb0 h LEU 79 Ca 0.00 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 1sb0 h LEU 79 Cb 0.05 -0.26 0.01 0.00 0.37 0.00 0.00 40.66 40.83 1sb0 h LEU 79 CO -0.01 1.00 -0.35 -0.08 -0.34 0.00 0.00 178.44 178.66 1sb0 h GLU 80 N 0.92 -0.94 -3.18 1.25 4.81 -0.90 -3.37 114.58 113.18 1sb0 h GLU 80 Ca 0.17 0.06 -0.68 0.00 -0.13 0.00 0.00 59.36 58.78 1sb0 h GLU 80 Cb 0.50 0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1sb0 h GLU 80 CO 0.02 -0.62 3.59 0.39 -0.73 0.00 0.00 179.01 181.66 1sb0 n GLU 81 N -5.19 3.60 -0.26 1.92 1.02 0.56 -4.62 120.64 117.66 1sb0 n GLU 81 Ca -0.12 -2.39 0.19 0.00 -0.02 0.00 0.00 57.16 54.82 1sb0 n GLU 81 Cb 0.38 -2.89 0.50 0.00 -0.02 0.00 0.00 31.44 29.42 1sb0 n GLU 81 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1sb0 h LYS 82 N 5.18 0.42 -0.91 3.49 1.57 -1.73 0.13 116.57 124.71 1sb0 h LYS 82 Ca 0.80 -0.03 0.23 0.00 -1.87 0.00 0.00 60.65 59.79 1sb0 h LYS 82 Cb 0.36 -0.09 -0.17 0.00 0.08 0.00 0.00 32.23 32.40 1sb0 h LYS 82 CO 1.79 0.28 -0.05 -2.13 -0.57 0.00 0.00 179.45 178.76 1sb0 n ARG 83 N -4.53 -0.08 -0.06 3.15 0.63 -1.26 -0.36 116.66 114.15 1sb0 n ARG 83 Ca 0.20 1.38 -0.04 0.00 -0.92 0.00 0.00 57.85 58.48 1sb0 n ARG 83 Cb 0.71 -2.16 -0.02 0.00 0.45 0.00 0.00 32.46 31.44 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 0.00 -0.18 -0.14 3.08 -1.17 -3.35 114.38 112.61 1sb0 h ARG 84 Ca 0.52 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.63 1sb0 h ARG 84 Cb 1.02 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.06 1sb0 h ARG 84 CO -0.88 0.06 0.19 0.77 -1.07 0.00 0.00 179.97 179.04 1sb0 h SER 85 N -1.00 0.00 -0.38 7.04 0.02 -0.89 0.07 113.55 118.42 1sb0 h SER 85 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1sb0 h SER 85 Cb 0.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1sb0 h SER 85 CO -0.01 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.22 1sb0 n ARG 86 N -3.90 2.35 0.00 3.45 5.12 0.52 -5.03 116.66 119.17 1sb0 n ARG 86 Ca 0.02 -2.12 0.03 0.00 -1.93 0.00 0.00 57.85 53.84 1sb0 n ARG 86 Cb 0.31 -1.41 0.18 0.00 -1.16 0.00 0.00 32.46 30.38 1sb0 n ARG 86 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59