#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 2.71 -0.06 1.61 0.24 -1.26 -4.47 118.33 117.10 1sb0 n VAL 2 Ca 0.00 -1.58 -0.20 0.00 -2.04 0.00 0.00 64.34 60.52 1sb0 n VAL 2 Cb 0.00 -2.16 -0.13 0.00 -1.47 0.00 0.00 33.84 30.08 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 5.57 0.07 -5.99 7.34 0.11 -2.02 -3.44 114.38 116.03 1sb0 h ARG 3 Ca 0.49 -0.12 -0.59 0.00 0.10 0.00 0.00 59.98 59.86 1sb0 h ARG 3 Cb 0.36 0.05 -0.06 0.00 1.11 0.00 0.00 29.97 31.43 1sb0 h ARG 3 CO 1.28 1.06 -0.14 0.15 0.10 0.00 0.00 179.97 182.42 1sb0 s LYS 4 N -2.36 4.12 0.24 0.08 -0.14 -1.26 -4.99 119.74 115.43 1sb0 s LYS 4 Ca -0.24 0.51 -0.06 0.00 -1.36 0.00 0.00 55.97 54.82 1sb0 s LYS 4 Cb 0.03 -3.29 0.43 0.00 -1.68 0.00 0.00 37.83 33.32 1sb0 s LYS 4 CO 0.67 0.51 1.66 0.78 -0.76 0.00 0.00 175.35 178.21 1sb0 h GLY 5 N 5.28 0.91 2.00 -3.33 0.00 -1.92 0.38 103.07 106.39 1sb0 h GLY 5 Ca -0.48 0.03 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1sb0 h GLY 5 CO 0.66 -0.23 0.00 -2.67 0.00 0.00 0.00 176.54 174.30 1sb0 n TRP 6 N -5.24 0.40 0.13 5.60 4.27 -1.26 -1.13 117.44 120.21 1sb0 n TRP 6 Ca 0.13 0.20 0.14 0.00 -3.89 0.00 0.00 57.50 54.09 1sb0 n TRP 6 Cb 0.45 -0.82 0.66 0.00 -1.36 0.00 0.00 31.31 30.25 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 0.00 -1.13 -2.67 2.76 -1.17 0.12 115.15 113.06 1sb0 h HIS 7 Ca 0.00 0.00 0.32 0.00 -2.20 0.00 0.00 60.37 58.49 1sb0 h HIS 7 Cb 0.03 -0.00 -0.10 0.00 1.55 0.00 0.00 27.41 28.89 1sb0 h HIS 7 CO 0.00 0.00 0.73 1.49 -1.30 0.00 0.00 177.93 178.85 1sb0 h GLU 8 N 0.00 0.27 0.00 5.26 4.81 -1.31 -2.80 114.58 120.81 1sb0 h GLU 8 Ca 0.13 -0.02 -0.38 0.00 -0.13 0.00 0.00 59.36 58.96 1sb0 h GLU 8 Cb 0.51 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.76 1sb0 h GLU 8 CO -0.00 0.18 -2.45 0.72 -0.73 0.00 0.00 179.01 176.73 1sb0 n HIS 9 N -4.62 0.00 -3.00 0.92 8.25 0.22 -4.75 115.22 112.25 1sb0 n HIS 9 Ca 0.29 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.30 1sb0 n HIS 9 Cb 1.06 -0.98 -0.02 0.00 1.12 0.00 0.00 29.99 31.17 1sb0 n HIS 9 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1sb0 s VAL 10 N -2.51 4.88 0.75 1.59 1.01 -0.07 -5.02 120.40 121.03 1sb0 s VAL 10 Ca -0.33 -1.74 -0.11 0.00 0.00 0.00 0.00 61.98 59.80 1sb0 s VAL 10 Cb 0.09 -4.73 0.04 0.00 0.00 0.00 0.00 36.38 31.78 1sb0 s VAL 10 CO 0.60 -1.43 1.08 0.42 0.00 0.00 0.00 175.10 175.77 1sb0 s THR 11 N 2.24 3.57 0.32 3.92 -4.23 -1.25 -4.60 115.64 115.61 1sb0 s THR 11 Ca 0.30 0.51 0.08 0.00 -1.18 0.00 0.00 61.69 61.40 1sb0 s THR 11 Cb -0.06 -3.10 0.31 0.00 1.34 0.00 0.00 72.50 71.00 1sb0 s THR 11 CO -0.09 -0.67 1.80 1.56 -0.54 0.00 0.00 174.62 176.67 1sb0 h GLN 12 N -0.98 0.70 -0.15 3.99 1.08 -1.96 -0.00 115.11 117.79 1sb0 h GLN 12 Ca -0.44 -0.04 0.05 0.00 -1.45 0.00 0.00 58.65 56.76 1sb0 h GLN 12 Cb 1.23 -0.16 -0.07 0.00 -0.05 0.00 0.00 27.48 28.43 1sb0 h GLN 12 CO 0.54 0.47 -0.41 -0.44 -0.95 0.00 0.00 178.83 178.04 1sb0 h ASP 13 N 0.73 -1.28 -0.42 1.46 5.19 -1.99 0.16 116.42 120.27 1sb0 h ASP 13 Ca 0.55 0.17 -0.01 0.00 -0.62 0.00 0.00 57.03 57.13 1sb0 h ASP 13 Cb 0.91 0.53 -0.02 0.00 0.18 0.00 0.00 39.33 40.93 1sb0 h ASP 13 CO -0.33 -0.41 0.24 0.25 -3.12 0.00 0.00 179.24 175.86 1sb0 h LEU 14 N -0.47 0.51 -0.31 1.55 5.85 -1.43 0.32 115.31 121.34 1sb0 h LEU 14 Ca 0.08 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.79 1sb0 h LEU 14 Cb 0.61 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.45 1sb0 h LEU 14 CO -0.40 0.43 -0.07 0.03 -0.34 0.00 0.00 178.44 178.09 1sb0 h ARG 15 N 0.54 0.00 -0.44 1.25 3.08 -0.65 0.17 114.38 118.34 1sb0 h ARG 15 Ca 0.15 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 1sb0 h ARG 15 Cb 0.03 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1sb0 h ARG 15 CO -0.03 0.00 0.26 1.03 -1.07 0.00 0.00 179.97 180.17 1sb0 h SER 16 N 0.01 0.53 -0.10 7.04 0.87 -0.38 0.64 113.55 122.15 1sb0 h SER 16 Ca 0.15 -0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.67 1sb0 h SER 16 Cb 0.23 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 1sb0 h SER 16 CO -0.32 0.43 -0.04 -0.74 -0.53 0.00 0.00 176.83 175.64 1sb0 h HIS 17 N 0.58 -0.10 -0.59 2.24 -0.00 -0.39 -0.71 115.15 116.18 1sb0 h HIS 17 Ca 0.16 0.01 0.06 0.00 -0.00 0.00 0.00 60.37 60.59 1sb0 h HIS 17 Cb 0.01 0.06 -0.05 0.00 -0.00 0.00 0.00 27.41 27.43 1sb0 h HIS 17 CO -0.03 -0.07 0.30 -0.07 -0.00 0.00 0.00 177.93 178.06 1sb0 h LEU 18 N -0.03 0.44 -0.41 0.26 3.38 -0.26 0.16 115.31 118.85 1sb0 h LEU 18 Ca 0.06 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.14 1sb0 h LEU 18 Cb 0.11 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 40.73 1sb0 h LEU 18 CO -0.12 0.29 -0.17 0.58 0.09 0.00 0.00 178.44 179.10 1sb0 h VAL 19 N 0.57 0.46 -0.22 1.22 2.07 -0.47 0.26 116.25 120.14 1sb0 h VAL 19 Ca 0.27 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.83 1sb0 h VAL 19 Cb 0.18 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 1sb0 h VAL 19 CO -0.18 0.00 -0.07 -0.74 0.02 0.00 0.00 177.57 176.59 1sb0 h HIS 20 N -0.09 -0.17 -0.76 1.57 -0.00 0.29 -1.63 115.15 114.36 1sb0 h HIS 20 Ca 0.20 0.02 0.14 0.00 -0.00 0.00 0.00 60.37 60.73 1sb0 h HIS 20 Cb 0.40 0.11 -0.09 0.00 -0.00 0.00 0.00 27.41 27.82 1sb0 h HIS 20 CO -0.42 -0.12 0.31 0.87 -0.00 0.00 0.00 177.93 178.57 1sb0 h LYS 21 N -0.03 0.45 0.10 5.26 1.79 0.35 0.50 116.57 125.00 1sb0 h LYS 21 Ca 0.11 -0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.57 1sb0 h LYS 21 Cb 0.20 -0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 30.70 1sb0 h LYS 21 CO -0.24 0.30 -0.38 -0.07 -1.08 0.00 0.00 179.45 177.98 1sb0 h LEU 22 N 0.46 -1.11 0.36 2.94 3.38 0.12 0.21 115.31 121.68 1sb0 h LEU 22 Ca 0.42 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.51 1sb0 h LEU 22 Cb 0.62 0.42 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 1sb0 h LEU 22 CO -0.40 -0.45 -0.51 0.58 0.09 0.00 0.00 178.44 177.75 1sb0 h VAL 23 N -0.60 0.01 -0.63 1.22 2.07 -0.10 -0.13 116.25 118.10 1sb0 h VAL 23 Ca 0.03 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 1sb0 h VAL 23 Cb 0.64 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1sb0 h VAL 23 CO -0.23 0.00 0.26 0.06 0.02 0.00 0.00 177.57 177.67 1sb0 h GLN 24 N -0.92 0.91 -0.34 1.57 3.07 -0.91 0.30 115.11 118.80 1sb0 h GLN 24 Ca -0.04 -0.14 -0.04 0.00 0.09 0.00 0.00 58.65 58.52 1sb0 h GLN 24 Cb 0.84 -0.16 -0.01 0.00 0.08 0.00 0.00 27.48 28.22 1sb0 h GLN 24 CO -0.15 0.74 0.06 0.00 0.09 0.00 0.00 178.83 179.58 1sb0 h ALA 25 N 1.38 0.45 -0.13 0.06 0.00 -0.30 -1.34 119.26 119.38 1sb0 h ALA 25 Ca 0.21 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1sb0 h ALA 25 Cb 0.17 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1sb0 h ALA 25 CO -0.02 0.13 -0.08 0.82 0.00 0.00 0.00 179.25 180.11 1sb0 h ILE 26 N 0.39 1.32 -2.07 0.00 2.04 -0.76 -3.43 117.51 115.00 1sb0 h ILE 26 Ca 0.10 -1.14 -0.39 0.00 1.00 0.00 0.00 64.86 64.43 1sb0 h ILE 26 Cb 0.33 1.79 -0.33 0.00 -0.74 0.00 0.00 36.82 37.88 1sb0 h ILE 26 CO 0.00 0.33 -0.70 0.12 0.00 0.00 0.00 178.15 177.90 1sb0 s PHE 27 N -4.51 -0.17 -0.29 1.37 2.19 0.10 -4.95 117.98 111.72 1sb0 s PHE 27 Ca -0.14 -0.85 -0.40 0.00 0.33 0.00 0.00 56.93 55.86 1sb0 s PHE 27 Cb 0.05 -0.49 -0.16 0.00 -1.31 0.00 0.00 43.02 41.11 1sb0 s PHE 27 CO 0.73 -0.94 1.75 -2.30 1.83 0.00 0.00 175.22 176.29 1sb0 n PRO 28 N 4.37 1.11 -2.30 10.12 -0.02 -0.51 -3.81 135.00 143.96 1sb0 n PRO 28 Ca 0.09 0.41 -0.43 0.00 -2.02 0.00 0.00 63.50 61.55 1sb0 n PRO 28 Cb 0.44 -2.08 -0.02 0.00 -0.02 0.00 0.00 33.50 31.81 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 3.58 4.04 0.21 3.45 -4.23 -1.26 -4.94 115.64 116.48 1sb0 s THR 29 Ca 0.99 1.29 -0.09 0.00 -1.18 0.00 0.00 61.69 62.70 1sb0 s THR 29 Cb -1.09 -3.83 0.15 0.00 1.34 0.00 0.00 72.50 69.07 1sb0 s THR 29 CO 0.67 -0.09 1.75 -0.65 -0.54 0.00 0.00 174.62 175.76 1sb0 h PRO 30 N 8.41 0.44 -1.72 3.99 0.11 -1.99 -3.46 132.00 137.79 1sb0 h PRO 30 Ca -0.32 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.80 1sb0 h PRO 30 Cb 1.14 -0.10 -0.22 0.00 0.11 0.00 0.00 31.00 31.93 1sb0 h PRO 30 CO 0.95 0.29 0.41 0.34 -0.21 0.00 0.00 178.00 179.78 1sb0 s ASP 31 N -5.42 -0.48 0.30 -2.05 -1.08 -1.26 -5.02 116.67 101.65 1sb0 s ASP 31 Ca -0.13 0.60 0.04 0.00 -0.52 0.00 0.00 52.55 52.54 1sb0 s ASP 31 Cb 0.17 0.49 0.76 0.00 -1.46 0.00 0.00 42.92 42.88 1sb0 s ASP 31 CO 0.75 -0.40 1.65 -0.65 0.52 0.00 0.00 175.17 177.04 1sb0 h PRO 32 N 2.98 0.23 -0.16 4.34 0.11 -2.04 0.12 132.00 137.57 1sb0 h PRO 32 Ca -0.22 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.92 1sb0 h PRO 32 Cb 1.16 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1sb0 h PRO 32 CO 0.30 0.15 0.24 0.00 -0.21 0.00 0.00 178.00 178.48 1sb0 h ALA 33 N 1.79 1.68 0.00 -0.75 0.00 -2.01 -0.28 119.26 119.69 1sb0 h ALA 33 Ca 0.58 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.45 1sb0 h ALA 33 Cb 1.18 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1sb0 h ALA 33 CO -0.64 -0.32 -0.14 0.00 0.00 0.00 0.00 179.25 178.15 1sb0 h ALA 34 N 1.68 1.27 -0.62 0.00 0.00 -1.16 -3.31 119.26 117.13 1sb0 h ALA 34 Ca 0.08 -0.13 0.15 0.00 0.00 0.00 0.00 54.91 55.02 1sb0 h ALA 34 Cb 0.55 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1sb0 h ALA 34 CO -0.00 0.17 0.43 -0.07 0.00 0.00 0.00 179.25 179.79 1sb0 h LEU 35 N 0.00 0.14 -1.88 0.00 3.38 -1.17 0.30 115.31 116.09 1sb0 h LEU 35 Ca -0.00 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sb0 h LEU 35 Cb 0.38 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1sb0 h LEU 35 CO 0.02 0.07 -0.01 0.07 0.09 0.00 0.00 178.44 178.68 1sb0 h LYS 36 N 0.15 0.00 -6.46 1.13 2.10 -1.80 -3.09 116.57 108.60 1sb0 h LYS 36 Ca 0.30 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 58.34 1sb0 h LYS 36 Cb 0.97 0.00 0.07 0.00 -0.90 0.00 0.00 32.23 32.37 1sb0 h LYS 36 CO -0.04 0.01 0.61 -3.47 -2.00 0.00 0.00 179.45 174.56 1sb0 n ASP 37 N -3.13 2.48 -0.15 7.07 -0.08 0.09 -4.72 116.55 118.12 1sb0 n ASP 37 Ca -0.01 1.11 -0.03 0.00 -1.51 0.00 0.00 54.79 54.36 1sb0 n ASP 37 Cb 0.24 -1.35 0.06 0.00 2.34 0.00 0.00 41.12 42.41 1sb0 n ASP 37 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 1sb0 h ARG 38 N 4.84 0.21 -0.04 -0.67 9.65 -1.89 0.25 114.38 126.73 1sb0 h ARG 38 Ca -0.45 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.42 1sb0 h ARG 38 Cb 1.29 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 29.82 1sb0 h ARG 38 CO 0.80 0.14 0.02 -0.09 2.80 0.00 0.00 179.97 183.65 1sb0 h ARG 39 N 0.21 0.05 -0.40 0.20 2.43 -1.94 -0.14 114.38 114.79 1sb0 h ARG 39 Ca 0.24 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.43 1sb0 h ARG 39 Cb 0.33 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 1sb0 h ARG 39 CO -0.33 0.04 0.23 1.98 -1.51 0.00 0.00 179.97 180.37 1sb0 h MET 40 N 0.04 0.44 -0.55 0.20 4.05 -1.56 -0.02 114.93 117.54 1sb0 h MET 40 Ca 0.01 -0.03 0.10 0.00 -0.28 0.00 0.00 59.70 59.50 1sb0 h MET 40 Cb -0.00 -0.10 -0.08 0.00 -0.80 0.00 0.00 31.60 30.62 1sb0 h MET 40 CO -0.00 0.29 0.13 1.49 0.23 0.00 0.00 176.91 179.05 1sb0 h GLU 41 N 0.46 0.26 -0.67 0.39 4.81 -0.31 0.34 114.58 119.85 1sb0 h GLU 41 Ca 0.16 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1sb0 h GLU 41 Cb 0.03 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1sb0 h GLU 41 CO -0.09 0.17 0.39 -0.91 -0.73 0.00 0.00 179.01 177.85 1sb0 h ASN 42 N 0.26 0.82 -0.64 1.04 2.35 -0.35 0.80 115.58 119.86 1sb0 h ASN 42 Ca 0.28 -0.07 -0.07 0.00 -0.55 0.00 0.00 56.30 55.89 1sb0 h ASN 42 Cb 0.39 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 1sb0 h ASN 42 CO -0.36 0.65 0.12 0.25 -1.65 0.00 0.00 177.43 176.45 1sb0 h LEU 43 N 0.92 1.01 0.00 1.61 5.85 0.48 0.85 115.31 126.03 1sb0 h LEU 43 Ca 0.24 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.74 1sb0 h LEU 43 Cb -0.01 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 1sb0 h LEU 43 CO -0.04 1.00 -0.06 0.58 -0.34 0.00 0.00 178.44 179.58 1sb0 h VAL 44 N 1.00 0.85 -0.29 1.05 2.07 -0.10 0.12 116.25 120.95 1sb0 h VAL 44 Ca 0.20 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.77 1sb0 h VAL 44 Cb 0.40 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 1sb0 h VAL 44 CO 0.01 0.00 0.05 0.00 0.02 0.00 0.00 177.57 177.65 1sb0 h ALA 45 N 0.88 0.30 -0.08 1.67 0.00 -0.41 0.12 119.26 121.75 1sb0 h ALA 45 Ca 0.02 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1sb0 h ALA 45 Cb 0.13 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1sb0 h ALA 45 CO -0.06 -0.36 -0.23 -0.92 0.00 0.00 0.00 179.25 177.68 1sb0 h TYR 46 N 0.16 -0.61 -0.58 0.00 5.03 -0.64 0.16 116.97 120.48 1sb0 h TYR 46 Ca 0.14 0.03 0.07 0.00 2.58 0.00 0.00 58.73 61.54 1sb0 h TYR 46 Cb 0.15 0.28 -0.06 0.00 1.55 0.00 0.00 36.73 38.65 1sb0 h TYR 46 CO -0.18 -0.31 0.27 0.00 -1.32 0.00 0.00 178.16 176.62 1sb0 h ALA 47 N 0.61 0.76 0.09 1.82 0.00 -0.14 0.16 119.26 122.56 1sb0 h ALA 47 Ca 0.09 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1sb0 h ALA 47 Cb 0.44 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1sb0 h ALA 47 CO -0.26 -0.11 -0.17 0.87 0.00 0.00 0.00 179.25 179.58 1sb0 h LYS 48 N 0.50 -0.32 -0.00 0.00 1.57 -0.42 0.13 116.57 118.03 1sb0 h LYS 48 Ca 0.27 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 59.11 1sb0 h LYS 48 Cb 0.25 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 1sb0 h LYS 48 CO -0.22 -0.21 -0.23 -0.22 -0.57 0.00 0.00 179.45 177.99 1sb0 h LYS 49 N -0.33 -0.35 -0.01 3.15 3.64 -0.21 0.86 116.57 123.32 1sb0 h LYS 49 Ca 0.03 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1sb0 h LYS 49 Cb 0.35 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1sb0 h LYS 49 CO -0.10 -0.23 -0.09 0.28 -2.27 0.00 0.00 179.45 177.04 1sb0 h VAL 50 N -0.36 0.76 -0.53 2.00 2.07 -0.62 0.48 116.25 120.05 1sb0 h VAL 50 Ca 0.06 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.67 1sb0 h VAL 50 Cb 0.45 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 30.91 1sb0 h VAL 50 CO -0.21 0.00 0.13 -0.08 0.02 0.00 0.00 177.57 177.43 1sb0 h GLU 51 N -0.16 0.27 0.17 1.57 4.22 -0.41 0.83 114.58 121.07 1sb0 h GLU 51 Ca 0.04 -0.02 0.01 0.00 0.08 0.00 0.00 59.36 59.48 1sb0 h GLU 51 Cb 0.20 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1sb0 h GLU 51 CO -0.10 0.18 -0.47 0.78 -2.18 0.00 0.00 179.01 177.22 1sb0 h GLY 52 N 0.28 -1.00 0.00 1.92 0.00 -0.30 0.15 103.07 104.11 1sb0 h GLY 52 Ca 0.27 0.56 0.09 0.00 0.00 0.00 0.00 47.33 48.24 1sb0 h GLY 52 CO -0.32 -0.28 -0.19 -1.80 0.00 0.00 0.00 176.54 173.95 1sb0 h ASP 53 N -0.73 -0.65 -0.71 0.19 3.58 -0.18 -0.14 116.42 117.79 1sb0 h ASP 53 Ca 0.00 0.16 0.05 0.00 0.42 0.00 0.00 57.03 57.66 1sb0 h ASP 53 Cb 0.73 0.36 -0.05 0.00 1.72 0.00 0.00 39.33 42.09 1sb0 h ASP 53 CO -0.24 -0.22 0.42 0.24 -2.88 0.00 0.00 179.24 176.56 1sb0 h MET 54 N -0.10 0.78 0.13 0.28 2.86 -0.61 0.39 114.93 118.65 1sb0 h MET 54 Ca 0.21 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.81 1sb0 h MET 54 Cb 0.42 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 1sb0 h MET 54 CO -0.49 0.51 -0.16 -0.92 1.06 0.00 0.00 176.91 176.91 1sb0 h TYR 55 N 0.80 -0.41 -0.84 -0.22 5.03 0.96 0.17 116.97 122.46 1sb0 h TYR 55 Ca 0.30 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.61 1sb0 h TYR 55 Cb 0.12 0.16 -0.04 0.00 1.55 0.00 0.00 36.73 38.52 1sb0 h TYR 55 CO -0.06 -0.24 0.49 0.93 -1.32 0.00 0.00 178.16 177.97 1sb0 h GLU 56 N -0.33 1.16 -0.07 1.82 4.39 -0.76 -3.06 114.58 117.72 1sb0 h GLU 56 Ca 0.01 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 1sb0 h GLU 56 Cb 0.33 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1sb0 h GLU 56 CO -0.06 0.83 0.02 1.03 -1.16 0.00 0.00 179.01 179.67 1sb0 h SER 57 N 1.16 0.11 -2.55 1.42 0.87 -0.60 -3.44 113.55 110.53 1sb0 h SER 57 Ca 0.30 -0.20 -0.57 0.00 -1.23 0.00 0.00 61.79 60.09 1sb0 h SER 57 Cb -0.01 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 1sb0 h SER 57 CO -0.05 0.28 1.28 0.00 -0.53 0.00 0.00 176.83 177.80 1sb0 s ALA 58 N -5.41 2.99 0.46 6.23 0.00 0.57 -4.88 121.76 121.72 1sb0 s ALA 58 Ca -0.14 0.48 0.17 0.00 0.00 0.00 0.00 51.96 52.47 1sb0 s ALA 58 Cb 0.05 -3.97 1.13 0.00 0.00 0.00 0.00 23.12 20.33 1sb0 s ALA 58 CO 0.68 -2.42 1.98 -2.95 0.00 0.00 0.00 175.76 173.05 1sb0 h ASN 59 N 12.58 0.27 -5.02 0.00 -1.07 -1.86 -3.46 115.58 117.02 1sb0 h ASN 59 Ca -0.36 0.01 -0.07 0.00 0.07 0.00 0.00 56.30 55.95 1sb0 h ASN 59 Cb 1.18 -0.05 -0.17 0.00 -2.07 0.00 0.00 38.32 37.22 1sb0 h ASN 59 CO 1.00 0.16 -0.02 -0.44 0.07 0.00 0.00 177.43 178.20 1sb0 s SER 60 N -6.20 -0.38 0.25 6.14 0.01 -1.26 -4.89 113.70 107.37 1sb0 s SER 60 Ca -0.07 0.13 -0.03 0.00 1.31 0.00 0.00 55.95 57.28 1sb0 s SER 60 Cb 0.20 0.46 0.51 0.00 0.21 0.00 0.00 66.02 67.40 1sb0 s SER 60 CO 0.75 -0.69 1.68 -0.09 0.41 0.00 0.00 173.24 175.30 1sb0 h ARG 61 N 2.91 0.27 -0.43 12.44 2.43 -1.92 0.18 114.38 130.27 1sb0 h ARG 61 Ca -0.31 -0.02 0.08 0.00 -0.81 0.00 0.00 59.98 58.93 1sb0 h ARG 61 Cb 1.21 -0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 30.62 1sb0 h ARG 61 CO 0.42 0.18 -0.05 0.38 -1.51 0.00 0.00 179.97 179.39 1sb0 h ASP 62 N 0.27 -0.28 -0.14 -3.80 2.03 -1.99 0.66 116.42 113.18 1sb0 h ASP 62 Ca 0.45 0.11 -0.01 0.00 -0.73 0.00 0.00 57.03 56.85 1sb0 h ASP 62 Cb 0.79 0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 39.50 1sb0 h ASP 62 CO -0.53 -0.10 0.05 -0.08 -1.03 0.00 0.00 179.24 177.55 1sb0 h GLU 63 N 0.06 0.21 -0.31 4.15 4.57 -1.14 -0.41 114.58 121.71 1sb0 h GLU 63 Ca 0.21 -0.04 0.07 0.00 -1.18 0.00 0.00 59.36 58.42 1sb0 h GLU 63 Cb 0.31 -0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 28.79 1sb0 h GLU 63 CO -0.39 0.32 -0.22 -0.92 -1.18 0.00 0.00 179.01 176.61 1sb0 h TYR 64 N 0.06 -0.57 -0.05 0.92 3.20 -0.53 0.22 116.97 120.22 1sb0 h TYR 64 Ca 0.05 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.98 1sb0 h TYR 64 Cb 0.19 0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.73 1sb0 h TYR 64 CO -0.01 -0.30 -0.09 1.88 -1.64 0.00 0.00 178.16 178.00 1sb0 h TYR 65 N -0.19 -0.23 0.27 -3.82 -1.99 -0.78 -2.09 116.97 108.14 1sb0 h TYR 65 Ca 0.16 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.90 1sb0 h TYR 65 Cb 0.44 0.11 -0.02 0.00 2.00 0.00 0.00 36.73 39.26 1sb0 h TYR 65 CO -0.41 -0.14 -0.36 1.25 -0.00 0.00 0.00 178.16 178.50 1sb0 h HIS 66 N -0.14 -1.01 0.00 4.88 2.76 0.23 -0.05 115.15 121.82 1sb0 h HIS 66 Ca 0.05 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.19 1sb0 h HIS 66 Cb 0.21 0.40 -0.01 0.00 1.55 0.00 0.00 27.41 29.57 1sb0 h HIS 66 CO -0.18 -0.45 -0.23 1.37 -1.30 0.00 0.00 177.93 177.13 1sb0 h LEU 67 N -0.65 0.00 0.38 0.26 8.10 -0.68 0.12 115.31 122.84 1sb0 h LEU 67 Ca -0.03 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.94 1sb0 h LEU 67 Cb 0.58 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.81 1sb0 h LEU 67 CO -0.09 0.23 -0.18 -0.07 -4.11 0.00 0.00 178.44 174.22 1sb0 h LEU 68 N 0.00 -0.43 -0.56 0.17 3.38 -1.21 0.68 115.31 117.34 1sb0 h LEU 68 Ca -0.00 -0.09 0.09 0.00 0.09 0.00 0.00 57.88 57.96 1sb0 h LEU 68 Cb 0.43 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.23 1sb0 h LEU 68 CO 0.03 -0.15 0.18 0.00 0.09 0.00 0.00 178.44 178.59 1sb0 h ALA 69 N -0.18 0.69 -0.35 1.53 0.00 -0.50 0.10 119.26 120.55 1sb0 h ALA 69 Ca -0.05 0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1sb0 h ALA 69 Cb 0.50 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1sb0 h ALA 69 CO 0.09 -0.23 0.13 1.49 0.00 0.00 0.00 179.25 180.72 1sb0 h GLU 70 N 0.34 0.27 -0.28 0.00 4.57 -0.73 0.88 114.58 119.64 1sb0 h GLU 70 Ca 0.28 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.46 1sb0 h GLU 70 Cb 0.35 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 1sb0 h GLU 70 CO -0.31 0.18 0.14 -0.22 -1.18 0.00 0.00 179.01 177.62 1sb0 h LYS 71 N 0.28 0.29 -0.08 1.92 1.63 0.26 0.11 116.57 120.98 1sb0 h LYS 71 Ca 0.16 -0.02 0.04 0.00 -0.85 0.00 0.00 60.65 59.98 1sb0 h LYS 71 Cb 0.13 -0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 31.64 1sb0 h LYS 71 CO -0.16 0.19 -0.26 0.82 -3.45 0.00 0.00 179.45 176.59 1sb0 h ILE 72 N 0.29 0.40 -0.39 2.00 2.04 -0.67 0.67 117.51 121.86 1sb0 h ILE 72 Ca 0.11 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.05 1sb0 h ILE 72 Cb 0.03 0.40 -0.09 0.00 -0.74 0.00 0.00 36.82 36.42 1sb0 h ILE 72 CO -0.07 0.00 -0.24 0.22 0.00 0.00 0.00 178.15 178.06 1sb0 h TYR 73 N -0.36 -0.63 0.53 1.37 5.03 -0.25 0.11 116.97 122.78 1sb0 h TYR 73 Ca 0.08 0.05 -0.02 0.00 2.58 0.00 0.00 58.73 61.43 1sb0 h TYR 73 Cb 0.48 0.33 -0.02 0.00 1.55 0.00 0.00 36.73 39.08 1sb0 h TYR 73 CO -0.33 -0.32 -0.45 0.87 -1.32 0.00 0.00 178.16 176.62 1sb0 h LYS 74 N -0.18 -0.93 -0.43 1.82 1.57 -0.51 0.86 116.57 118.78 1sb0 h LYS 74 Ca 0.19 0.06 0.07 0.00 -1.87 0.00 0.00 60.65 59.10 1sb0 h LYS 74 Cb 0.47 0.21 -0.09 0.00 0.08 0.00 0.00 32.23 32.90 1sb0 h LYS 74 CO -0.49 -0.62 -0.44 0.82 -0.57 0.00 0.00 179.45 178.15 1sb0 h ILE 75 N -0.97 0.10 0.00 1.86 2.04 -0.12 0.22 117.51 120.65 1sb0 h ILE 75 Ca -0.06 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.83 1sb0 h ILE 75 Cb 0.82 0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 1sb0 h ILE 75 CO -0.01 0.00 -0.38 1.56 0.00 0.00 0.00 178.15 179.32 1sb0 h GLN 76 N -0.32 -0.52 0.40 2.37 1.08 -0.73 0.77 115.11 118.16 1sb0 h GLN 76 Ca 0.14 0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.37 1sb0 h GLN 76 Cb 0.58 0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 28.11 1sb0 h GLN 76 CO -0.59 -0.34 -0.36 0.87 -0.95 0.00 0.00 178.83 177.45 1sb0 h LYS 77 N -0.54 -0.75 -0.31 1.46 1.79 0.42 0.35 116.57 119.00 1sb0 h LYS 77 Ca 0.05 0.05 0.06 0.00 -2.18 0.00 0.00 60.65 58.63 1sb0 h LYS 77 Cb 0.62 0.17 -0.06 0.00 -1.58 0.00 0.00 32.23 31.38 1sb0 h LYS 77 CO -0.29 -0.50 -0.06 0.93 -1.08 0.00 0.00 179.45 178.45 1sb0 h GLU 78 N -0.77 0.02 -0.08 3.15 5.08 -0.56 -2.94 114.58 118.48 1sb0 h GLU 78 Ca -0.03 -0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.09 1sb0 h GLU 78 Cb 0.68 -0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.95 1sb0 h GLU 78 CO -0.04 0.01 -0.89 1.25 -1.00 0.00 0.00 179.01 178.34 1sb0 h LEU 79 N 0.02 0.92 -0.68 1.33 5.85 -0.66 -3.20 115.31 118.89 1sb0 h LEU 79 Ca 0.15 -0.68 0.14 0.00 0.84 0.00 0.00 57.88 58.33 1sb0 h LEU 79 Cb 0.22 -0.28 -0.12 0.00 0.37 0.00 0.00 40.66 40.85 1sb0 h LEU 79 CO -0.30 1.47 -0.11 -0.08 -0.34 0.00 0.00 178.44 179.07 1sb0 h GLU 80 N 0.45 0.03 -0.97 1.25 4.81 -0.20 0.20 114.58 120.15 1sb0 h GLU 80 Ca -0.09 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.17 1sb0 h GLU 80 Cb 1.53 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.85 1sb0 h GLU 80 CO 0.18 0.02 0.63 0.93 -0.73 0.00 0.00 179.01 180.04 1sb0 h GLU 81 N 0.04 1.19 -0.15 1.92 4.39 -1.51 0.68 114.58 121.14 1sb0 h GLU 81 Ca 0.34 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.95 1sb0 h GLU 81 Cb 0.55 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1sb0 h GLU 81 CO -0.66 0.78 -0.00 0.87 -1.16 0.00 0.00 179.01 178.84 1sb0 h LYS 82 N 1.22 0.26 -0.44 2.33 1.79 -0.87 0.58 116.57 121.44 1sb0 h LYS 82 Ca 0.39 -0.08 0.08 0.00 -2.18 0.00 0.00 60.65 58.86 1sb0 h LYS 82 Cb 0.00 -0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 30.56 1sb0 h LYS 82 CO -0.12 0.49 0.01 0.00 -1.08 0.00 0.00 179.45 178.74 1sb0 h ARG 83 N -0.00 0.12 -0.07 3.15 3.08 -0.32 -1.34 114.38 118.99 1sb0 h ARG 83 Ca 0.04 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.10 1sb0 h ARG 83 Cb 0.37 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1sb0 h ARG 83 CO 0.01 0.08 -0.02 0.00 -1.07 0.00 0.00 179.97 178.96 1sb0 h ARG 84 N 0.12 -0.00 -2.12 0.04 3.08 -0.79 -3.16 114.38 111.54 1sb0 h ARG 84 Ca 0.22 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.19 1sb0 h ARG 84 Cb 0.32 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 1sb0 h ARG 84 CO -0.36 -0.00 -0.11 0.43 -1.07 0.00 0.00 179.97 178.86 1sb0 n SER 85 N -5.13 4.11 -3.35 7.04 7.64 0.19 -4.73 113.62 119.39 1sb0 n SER 85 Ca -0.05 -2.19 -0.36 0.00 1.01 0.00 0.00 58.87 57.27 1sb0 n SER 85 Cb 0.07 -1.00 -0.02 0.00 -1.01 0.00 0.00 64.21 62.24 1sb0 n SER 85 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1sb0 n ARG 86 N 2.17 3.25 0.00 1.43 1.85 -1.18 -4.93 116.66 119.24 1sb0 n ARG 86 Ca 0.19 -2.11 0.00 0.00 -1.00 0.00 0.00 57.85 54.93 1sb0 n ARG 86 Cb 0.57 -2.80 0.00 0.00 -1.05 0.00 0.00 32.46 29.18 1sb0 n ARG 86 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90