#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 2.61 -2.88 1.61 0.24 -1.26 -4.92 118.33 113.73 1sb0 n VAL 2 Ca 0.00 -1.44 -0.40 0.00 -2.04 0.00 0.00 64.34 60.45 1sb0 n VAL 2 Cb 0.00 -2.07 -0.05 0.00 -1.47 0.00 0.00 33.84 30.25 1sb0 n VAL 2 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1sb0 s ARG 3 N 2.18 4.60 0.00 7.34 0.52 -1.26 -4.76 118.95 127.57 1sb0 s ARG 3 Ca 0.50 1.24 0.00 0.00 -0.52 0.00 0.00 55.73 56.95 1sb0 s ARG 3 Cb 0.19 -3.35 0.00 0.00 0.52 0.00 0.00 34.95 32.30 1sb0 s ARG 3 CO -0.02 0.30 0.59 1.17 0.02 0.00 0.00 175.30 177.36 1sb0 n LYS 4 N 2.61 0.00 0.00 3.54 3.00 -1.26 -4.99 118.16 121.06 1sb0 n LYS 4 Ca -0.01 -0.37 0.00 0.00 -0.00 0.00 0.00 58.31 57.93 1sb0 n LYS 4 Cb 0.49 -0.21 0.00 0.00 0.00 0.00 0.00 35.03 35.31 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 0.00 1.34 0.00 3.14 0.00 -1.26 -4.36 105.19 104.05 1sb0 n GLY 5 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.08 1sb0 n GLY 5 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1sb0 n TRP 6 N 0.00 0.00 -0.22 1.61 4.27 -1.26 -3.32 117.44 118.52 1sb0 n TRP 6 Ca 0.00 0.00 0.05 0.00 -3.89 0.00 0.00 57.50 53.66 1sb0 n TRP 6 Cb 0.00 -0.49 0.31 0.00 -1.36 0.00 0.00 31.31 29.77 1sb0 n TRP 6 CO 0.00 0.00 0.00 1.12 -2.29 0.00 0.00 177.69 176.52 1sb0 h HIS 7 N 0.00 0.86 -0.50 -2.67 2.07 -1.86 -3.08 115.15 109.98 1sb0 h HIS 7 Ca 0.00 0.02 0.14 0.00 -2.85 0.00 0.00 60.37 57.68 1sb0 h HIS 7 Cb 0.26 -0.28 -0.09 0.00 2.57 0.00 0.00 27.41 29.86 1sb0 h HIS 7 CO 0.00 0.46 0.02 0.39 -3.07 0.00 0.00 177.93 175.73 1sb0 n GLU 8 N -4.48 -0.04 -0.34 5.12 1.02 -1.21 -0.75 120.64 119.97 1sb0 n GLU 8 Ca 0.11 0.74 0.08 0.00 -0.02 0.00 0.00 57.16 58.08 1sb0 n GLU 8 Cb 0.20 -1.18 0.22 0.00 -0.02 0.00 0.00 31.44 30.66 1sb0 n GLU 8 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 1sb0 n HIS 9 N -4.55 0.70 -3.96 -0.32 1.44 -1.16 -4.87 115.22 102.49 1sb0 n HIS 9 Ca 0.12 -0.86 -0.30 0.00 -2.01 0.00 0.00 57.72 54.67 1sb0 n HIS 9 Cb 0.39 -0.25 -0.15 0.00 0.12 0.00 0.00 29.99 30.11 1sb0 n HIS 9 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1sb0 s VAL 10 N -2.62 2.28 0.57 0.61 1.01 0.07 -5.09 120.40 117.23 1sb0 s VAL 10 Ca 0.37 -2.68 -0.06 0.00 0.00 0.00 0.00 61.98 59.62 1sb0 s VAL 10 Cb 0.30 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 34.04 1sb0 s VAL 10 CO 0.08 -0.69 0.88 0.42 0.00 0.00 0.00 175.10 175.79 1sb0 s THR 11 N 0.46 3.81 0.25 3.92 -4.23 -1.26 -4.89 115.64 113.70 1sb0 s THR 11 Ca 0.14 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.61 1sb0 s THR 11 Cb -0.22 -3.50 0.23 0.00 1.34 0.00 0.00 72.50 70.36 1sb0 s THR 11 CO -0.05 -0.50 1.70 -0.61 -0.54 0.00 0.00 174.62 174.61 1sb0 h GLN 12 N -0.11 0.31 -0.53 3.99 5.75 -1.99 -0.41 115.11 122.12 1sb0 h GLN 12 Ca -0.46 -0.02 0.09 0.00 -0.15 0.00 0.00 58.65 58.11 1sb0 h GLN 12 Cb 1.25 -0.07 -0.07 0.00 1.07 0.00 0.00 27.48 29.66 1sb0 h GLN 12 CO 0.61 0.20 0.15 0.22 -2.65 0.00 0.00 178.83 177.36 1sb0 h ASP 13 N 0.31 0.09 -0.10 -0.69 3.58 -1.98 0.20 116.42 117.83 1sb0 h ASP 13 Ca 0.43 0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.95 1sb0 h ASP 13 Cb 0.72 0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.86 1sb0 h ASP 13 CO -0.49 0.07 0.04 0.25 -2.88 0.00 0.00 179.24 176.24 1sb0 h LEU 14 N 0.30 0.14 -0.31 2.28 5.85 -1.49 0.63 115.31 122.71 1sb0 h LEU 14 Ca 0.27 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.91 1sb0 h LEU 14 Cb 0.34 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.28 1sb0 h LEU 14 CO -0.31 0.25 -0.09 0.03 -0.34 0.00 0.00 178.44 177.97 1sb0 h ARG 15 N 0.02 -0.02 -0.31 1.25 3.08 -0.63 0.11 114.38 117.87 1sb0 h ARG 15 Ca 0.03 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.15 1sb0 h ARG 15 Cb 0.15 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.15 1sb0 h ARG 15 CO -0.00 -0.02 -0.06 0.77 -1.07 0.00 0.00 179.97 179.59 1sb0 h SER 16 N -0.03 -0.25 0.24 7.04 0.02 -0.45 0.63 113.55 120.76 1sb0 h SER 16 Ca 0.15 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 1sb0 h SER 16 Cb 0.26 0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1sb0 h SER 16 CO -0.34 -0.09 -0.11 -0.74 -1.14 0.00 0.00 176.83 174.42 1sb0 h HIS 17 N 0.02 -0.29 -0.42 3.45 -0.00 0.03 0.11 115.15 118.05 1sb0 h HIS 17 Ca 0.15 -0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.59 1sb0 h HIS 17 Cb 0.22 0.10 -0.07 0.00 -0.00 0.00 0.00 27.41 27.66 1sb0 h HIS 17 CO -0.28 -0.16 -0.02 -0.07 -0.00 0.00 0.00 177.93 177.40 1sb0 h LEU 18 N -0.34 -0.21 -0.43 0.26 3.38 -0.56 0.16 115.31 117.57 1sb0 h LEU 18 Ca -0.03 0.10 0.09 0.00 0.09 0.00 0.00 57.88 58.13 1sb0 h LEU 18 Cb 0.26 0.19 -0.08 0.00 0.09 0.00 0.00 40.66 41.12 1sb0 h LEU 18 CO 0.05 -0.06 -0.13 0.58 0.09 0.00 0.00 178.44 178.97 1sb0 h VAL 19 N 0.09 0.53 0.00 1.22 2.07 -0.61 0.00 116.25 119.56 1sb0 h VAL 19 Ca 0.21 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.69 1sb0 h VAL 19 Cb 0.30 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1sb0 h VAL 19 CO -0.36 0.00 -0.16 1.12 0.02 0.00 0.00 177.57 178.20 1sb0 h HIS 20 N -0.03 0.00 -0.38 1.57 2.07 0.69 0.18 115.15 119.25 1sb0 h HIS 20 Ca 0.21 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.71 1sb0 h HIS 20 Cb 0.34 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.31 1sb0 h HIS 20 CO -0.39 0.16 0.18 0.87 -3.07 0.00 0.00 177.93 175.68 1sb0 h LYS 21 N 0.00 0.56 0.19 5.12 1.79 0.95 -0.45 116.57 124.72 1sb0 h LYS 21 Ca -0.00 -0.09 0.01 0.00 -2.18 0.00 0.00 60.65 58.39 1sb0 h LYS 21 Cb 0.35 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.88 1sb0 h LYS 21 CO 0.02 0.50 -0.24 -0.07 -1.08 0.00 0.00 179.45 178.58 1sb0 h LEU 22 N 0.48 -0.66 0.05 2.94 3.38 0.20 -0.14 115.31 121.56 1sb0 h LEU 22 Ca 0.13 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.20 1sb0 h LEU 22 Cb 0.13 0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1sb0 h LEU 22 CO -0.02 -0.34 -0.30 0.58 0.09 0.00 0.00 178.44 178.46 1sb0 h VAL 23 N -0.48 0.35 -0.44 1.22 2.07 -0.90 -0.98 116.25 117.10 1sb0 h VAL 23 Ca 0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 1sb0 h VAL 23 Cb 0.47 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1sb0 h VAL 23 CO -0.09 0.00 0.13 0.06 0.02 0.00 0.00 177.57 177.69 1sb0 h GLN 24 N -0.47 0.64 -0.27 1.57 3.07 -1.00 0.23 115.11 118.88 1sb0 h GLN 24 Ca 0.05 -0.10 0.00 0.00 0.09 0.00 0.00 58.65 58.69 1sb0 h GLN 24 Cb 0.54 -0.11 -0.01 0.00 0.08 0.00 0.00 27.48 27.97 1sb0 h GLN 24 CO -0.22 0.57 0.18 0.00 0.09 0.00 0.00 178.83 179.45 1sb0 h ALA 25 N 1.52 0.35 0.70 0.06 0.00 -0.44 -2.41 119.26 119.04 1sb0 h ALA 25 Ca 0.15 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1sb0 h ALA 25 Cb 0.20 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1sb0 h ALA 25 CO -0.01 -0.17 -0.34 0.82 0.00 0.00 0.00 179.25 179.55 1sb0 h ILE 26 N 0.36 0.00 -3.20 0.00 2.04 -0.72 -3.42 117.51 112.57 1sb0 h ILE 26 Ca 0.10 -0.28 -0.60 0.00 1.00 0.00 0.00 64.86 65.09 1sb0 h ILE 26 Cb -0.03 0.00 -0.40 0.00 -0.74 0.00 0.00 36.82 35.65 1sb0 h ILE 26 CO -0.02 0.00 -0.75 0.12 0.00 0.00 0.00 178.15 177.50 1sb0 s PHE 27 N -4.63 2.01 -1.01 1.37 2.19 0.78 -5.02 117.98 113.67 1sb0 s PHE 27 Ca -0.14 -1.99 -0.24 0.00 0.33 0.00 0.00 56.93 54.89 1sb0 s PHE 27 Cb 0.01 -1.90 -0.11 0.00 -1.31 0.00 0.00 43.02 39.72 1sb0 s PHE 27 CO 0.41 -0.88 2.04 -1.25 1.83 0.00 0.00 175.22 177.38 1sb0 s PRO 28 N 1.38 2.15 0.02 10.12 0.04 -0.91 -3.81 135.00 143.99 1sb0 s PRO 28 Ca 0.11 -0.50 -0.30 0.00 0.04 0.00 0.00 61.00 60.35 1sb0 s PRO 28 Cb -0.18 -5.07 -0.07 0.00 0.04 0.00 0.00 34.50 29.22 1sb0 s PRO 28 CO -0.20 -4.12 1.53 0.99 0.04 0.00 0.00 177.00 175.24 1sb0 s THR 29 N 12.34 3.42 0.16 1.26 2.01 -1.26 -4.95 115.64 128.62 1sb0 s THR 29 Ca 0.75 0.81 -0.19 0.00 0.31 0.00 0.00 61.69 63.37 1sb0 s THR 29 Cb -0.05 -3.52 0.08 0.00 0.01 0.00 0.00 72.50 69.01 1sb0 s THR 29 CO 0.09 -0.01 1.65 -0.65 -0.69 0.00 0.00 174.62 175.01 1sb0 h PRO 30 N 8.19 -0.08 -3.09 4.92 0.11 -2.01 -3.45 132.00 136.58 1sb0 h PRO 30 Ca -0.40 0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.57 1sb0 h PRO 30 Cb 1.19 0.02 -0.24 0.00 0.11 0.00 0.00 31.00 32.08 1sb0 h PRO 30 CO 0.92 -0.06 -0.37 0.34 -0.21 0.00 0.00 178.00 178.62 1sb0 s ASP 31 N -5.15 -0.24 0.31 -2.05 -1.08 -1.26 -5.05 116.67 102.15 1sb0 s ASP 31 Ca -0.14 0.40 0.06 0.00 -0.52 0.00 0.00 52.55 52.35 1sb0 s ASP 31 Cb 0.14 0.49 0.86 0.00 -1.46 0.00 0.00 42.92 42.95 1sb0 s ASP 31 CO 0.70 -0.19 1.62 -0.65 0.52 0.00 0.00 175.17 177.16 1sb0 h PRO 32 N 5.20 0.12 -0.81 4.34 0.11 -2.03 0.10 132.00 139.03 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 1.19 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.21 1sb0 h PRO 32 CO 0.35 0.08 0.54 0.00 -0.21 0.00 0.00 178.00 178.76 1sb0 h ALA 33 N 1.88 2.15 -0.16 -0.75 0.00 -2.01 -0.05 119.26 120.33 1sb0 h ALA 33 Ca 0.63 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.59 1sb0 h ALA 33 Cb 1.39 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1sb0 h ALA 33 CO -0.75 -0.38 0.16 0.00 0.00 0.00 0.00 179.25 178.28 1sb0 h ALA 34 N 1.63 1.82 0.00 0.00 0.00 -1.20 -0.78 119.26 120.73 1sb0 h ALA 34 Ca 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1sb0 h ALA 34 Cb 0.97 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1sb0 h ALA 34 CO -0.14 -0.24 0.02 -0.07 0.00 0.00 0.00 179.25 178.82 1sb0 h LEU 35 N 0.00 0.00 -2.03 0.00 3.38 -1.11 -0.37 115.31 115.18 1sb0 h LEU 35 Ca 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1sb0 h LEU 35 Cb 0.39 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 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 -6.79 1.13 1.57 -1.32 -3.35 116.57 107.81 1sb0 h LYS 36 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1sb0 h LYS 36 Cb 0.03 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.41 1sb0 h LYS 36 CO 0.00 0.07 0.79 0.34 -0.57 0.00 0.00 179.45 180.08 1sb0 s ASP 37 N -5.87 6.55 0.12 0.86 2.15 -0.15 -4.86 116.67 115.47 1sb0 s ASP 37 Ca -0.02 2.79 -0.22 0.00 0.43 0.00 0.00 52.55 55.53 1sb0 s ASP 37 Cb 0.12 -2.63 -0.05 0.00 -0.30 0.00 0.00 42.92 40.06 1sb0 s ASP 37 CO 0.54 -0.76 1.69 0.03 -0.17 0.00 0.00 175.17 176.50 1sb0 h ARG 38 N 4.63 -0.10 -0.45 4.34 -0.00 -1.89 0.20 114.38 121.10 1sb0 h ARG 38 Ca -0.47 0.01 -0.00 0.00 -0.50 0.00 0.00 59.98 59.02 1sb0 h ARG 38 Cb 1.22 0.02 -0.02 0.00 0.00 0.00 0.00 29.97 31.19 1sb0 h ARG 38 CO 0.76 -0.07 0.28 0.00 0.00 0.00 0.00 179.97 180.94 1sb0 h ARG 39 N -0.11 0.61 -0.58 0.04 3.08 -1.96 0.11 114.38 115.58 1sb0 h ARG 39 Ca 0.08 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.09 1sb0 h ARG 39 Cb 0.22 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 1sb0 h ARG 39 CO -0.18 0.44 0.36 1.98 -1.07 0.00 0.00 179.97 181.50 1sb0 h MET 40 N 0.60 0.71 -1.01 0.04 4.05 -1.80 0.43 114.93 117.95 1sb0 h MET 40 Ca 0.16 -0.04 0.06 0.00 -0.28 0.00 0.00 59.70 59.60 1sb0 h MET 40 Cb -0.02 -0.16 -0.07 0.00 -0.80 0.00 0.00 31.60 30.56 1sb0 h MET 40 CO -0.03 0.47 0.65 1.49 0.23 0.00 0.00 176.91 179.72 1sb0 h GLU 41 N 0.73 1.17 -0.79 0.39 4.81 0.18 0.26 114.58 121.33 1sb0 h GLU 41 Ca 0.22 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1sb0 h GLU 41 Cb -0.02 -0.26 -0.04 0.00 0.63 0.00 0.00 28.75 29.06 1sb0 h GLU 41 CO -0.08 0.77 0.47 -0.97 -0.73 0.00 0.00 179.01 178.47 1sb0 h ASN 42 N 1.20 0.97 -0.43 1.04 -0.00 0.07 1.00 115.58 119.43 1sb0 h ASN 42 Ca 0.43 -0.07 -0.07 0.00 -0.00 0.00 0.00 56.30 56.59 1sb0 h ASN 42 Cb 0.13 -0.24 -0.02 0.00 -0.00 0.00 0.00 38.32 38.19 1sb0 h ASN 42 CO -0.16 0.76 0.01 0.25 -0.00 0.00 0.00 177.43 178.29 1sb0 h LEU 43 N 1.09 0.74 -0.23 0.34 5.85 0.64 0.63 115.31 124.37 1sb0 h LEU 43 Ca 0.28 -0.30 0.05 0.00 0.84 0.00 0.00 57.88 58.75 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 0.86 -0.07 0.58 -0.34 0.00 0.00 178.44 179.41 1sb0 h VAL 44 N 0.60 0.73 -0.31 1.05 2.07 -0.32 0.12 116.25 120.19 1sb0 h VAL 44 Ca 0.12 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.69 1sb0 h VAL 44 Cb 0.47 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 1sb0 h VAL 44 CO 0.02 0.00 0.08 0.00 0.02 0.00 0.00 177.57 177.69 1sb0 h ALA 45 N 1.20 0.34 -0.32 1.67 0.00 -0.48 0.17 119.26 121.85 1sb0 h ALA 45 Ca 0.12 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1sb0 h ALA 45 Cb 0.20 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 1sb0 h ALA 45 CO -0.25 -0.33 -0.05 -0.92 0.00 0.00 0.00 179.25 177.71 1sb0 h TYR 46 N 0.20 -0.11 -0.54 0.00 3.20 -0.50 0.72 116.97 119.94 1sb0 h TYR 46 Ca 0.15 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1sb0 h TYR 46 Cb 0.14 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 1sb0 h TYR 46 CO -0.16 -0.10 0.34 0.00 -1.64 0.00 0.00 178.16 176.59 1sb0 h ALA 47 N 1.30 0.69 -0.14 1.82 0.00 -0.02 0.11 119.26 123.03 1sb0 h ALA 47 Ca 0.15 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1sb0 h ALA 47 Cb 0.22 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1sb0 h ALA 47 CO -0.30 0.16 -0.09 0.87 0.00 0.00 0.00 179.25 179.88 1sb0 h LYS 48 N 0.73 -0.09 0.07 0.00 1.57 -0.35 0.47 116.57 118.97 1sb0 h LYS 48 Ca 0.20 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.01 1sb0 h LYS 48 Cb -0.04 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 1sb0 h LYS 48 CO -0.04 -0.06 -0.30 -0.22 -0.57 0.00 0.00 179.45 178.25 1sb0 h LYS 49 N -0.10 -0.48 -0.55 3.15 3.64 -0.21 0.84 116.57 122.87 1sb0 h LYS 49 Ca 0.08 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1sb0 h LYS 49 Cb 0.22 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 1sb0 h LYS 49 CO -0.20 -0.32 0.30 -0.24 -2.27 0.00 0.00 179.45 176.72 1sb0 h VAL 50 N -0.50 1.18 -0.53 2.00 3.04 -0.64 0.17 116.25 120.96 1sb0 h VAL 50 Ca 0.04 -0.46 0.09 0.00 -1.01 0.00 0.00 66.70 65.37 1sb0 h VAL 50 Cb 0.55 0.49 -0.07 0.00 -2.01 0.00 0.00 31.29 30.25 1sb0 h VAL 50 CO -0.21 0.19 0.13 -0.08 -1.01 0.00 0.00 177.57 176.59 1sb0 h GLU 51 N 0.73 0.26 -0.13 4.17 4.22 -0.63 0.61 114.58 123.82 1sb0 h GLU 51 Ca 0.19 -0.02 0.04 0.00 0.08 0.00 0.00 59.36 59.66 1sb0 h GLU 51 Cb 0.04 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 1sb0 h GLU 51 CO -0.03 0.17 -0.20 0.78 -2.18 0.00 0.00 179.01 177.56 1sb0 h GLY 52 N 0.27 -0.16 0.19 1.92 0.00 0.15 0.12 103.07 105.56 1sb0 h GLY 52 Ca 0.27 0.24 0.08 0.00 0.00 0.00 0.00 47.33 47.92 1sb0 h GLY 52 CO -0.34 -0.18 -0.07 -1.80 0.00 0.00 0.00 176.54 174.15 1sb0 h ASP 53 N -0.25 -0.33 -0.33 0.19 3.58 0.17 0.36 116.42 119.81 1sb0 h ASP 53 Ca 0.10 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.67 1sb0 h ASP 53 Cb 0.39 0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.67 1sb0 h ASP 53 CO -0.27 -0.12 0.22 0.24 -2.88 0.00 0.00 179.24 176.43 1sb0 h MET 54 N 0.03 0.43 -0.23 0.28 2.86 -0.53 0.67 114.93 118.44 1sb0 h MET 54 Ca 0.21 -0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.88 1sb0 h MET 54 Cb 0.32 -0.10 -0.06 0.00 0.06 0.00 0.00 31.60 31.82 1sb0 h MET 54 CO -0.42 0.28 -0.15 -0.92 1.06 0.00 0.00 176.91 176.77 1sb0 h TYR 55 N 0.44 -0.38 -0.58 -0.22 5.03 0.23 0.24 116.97 121.72 1sb0 h TYR 55 Ca 0.12 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.45 1sb0 h TYR 55 Cb -0.05 0.20 -0.03 0.00 1.55 0.00 0.00 36.73 38.41 1sb0 h TYR 55 CO -0.06 -0.22 0.32 0.93 -1.32 0.00 0.00 178.16 177.81 1sb0 h GLU 56 N -0.14 0.81 -0.58 1.82 4.39 -0.73 -2.99 114.58 117.16 1sb0 h GLU 56 Ca 0.13 -0.09 -0.06 0.00 0.34 0.00 0.00 59.36 59.67 1sb0 h GLU 56 Cb 0.34 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 1sb0 h GLU 56 CO -0.31 0.62 0.11 0.77 -1.16 0.00 0.00 179.01 179.03 1sb0 h SER 57 N 0.78 0.91 -2.27 1.42 0.02 -0.27 -3.42 113.55 110.72 1sb0 h SER 57 Ca 0.20 -0.25 -0.54 0.00 -0.84 0.00 0.00 61.79 60.37 1sb0 h SER 57 Cb 0.04 -0.24 -0.08 0.00 0.14 0.00 0.00 62.40 62.27 1sb0 h SER 57 CO -0.03 0.93 1.11 0.00 -1.14 0.00 0.00 176.83 177.69 1sb0 s ALA 58 N -5.24 2.68 0.00 3.77 0.00 0.77 -4.89 121.76 118.85 1sb0 s ALA 58 Ca -0.12 -1.32 -0.05 0.00 0.00 0.00 0.00 51.96 50.47 1sb0 s ALA 58 Cb 0.13 -4.28 -0.20 0.00 0.00 0.00 0.00 23.12 18.77 1sb0 s ALA 58 CO 0.82 -3.38 3.18 -1.71 0.00 0.00 0.00 175.76 174.68 1sb0 n ASN 59 N 9.76 5.12 0.00 0.00 5.15 -1.26 -4.71 115.26 129.32 1sb0 n ASN 59 Ca 0.06 -2.43 0.00 0.00 -0.60 0.00 0.00 54.58 51.61 1sb0 n ASN 59 Cb 0.49 -1.32 0.00 0.00 -0.53 0.00 0.00 39.78 38.43 1sb0 n ASN 59 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1sb0 n SER 60 N 2.29 0.00 -0.32 1.20 2.88 -1.26 -4.95 113.62 113.45 1sb0 n SER 60 Ca 0.32 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.82 1sb0 n SER 60 Cb 0.80 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.35 1sb0 n SER 60 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1sb0 h ARG 61 N 0.00 1.24 -0.55 -1.46 2.43 -1.89 0.46 114.38 114.61 1sb0 h ARG 61 Ca 0.00 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1sb0 h ARG 61 Cb 0.00 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.29 1sb0 h ARG 61 CO 0.00 0.92 0.33 0.22 -1.51 0.00 0.00 179.97 179.92 1sb0 h ASP 62 N 1.24 0.66 0.03 -3.80 3.58 -1.97 0.89 116.42 117.06 1sb0 h ASP 62 Ca 0.31 -0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.69 1sb0 h ASP 62 Cb 0.05 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 40.93 1sb0 h ASP 62 CO -0.05 0.53 -0.02 -0.08 -2.88 0.00 0.00 179.24 176.75 1sb0 h GLU 63 N 0.74 -0.04 -0.48 0.28 4.57 -1.85 0.19 114.58 117.98 1sb0 h GLU 63 Ca 0.20 0.00 0.10 0.00 -1.18 0.00 0.00 59.36 58.48 1sb0 h GLU 63 Cb -0.00 0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 28.50 1sb0 h GLU 63 CO -0.04 0.00 -0.13 -0.92 -1.18 0.00 0.00 179.01 176.75 1sb0 h TYR 64 N -0.07 -0.27 0.17 0.92 3.20 -0.44 0.16 116.97 120.64 1sb0 h TYR 64 Ca -0.00 0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.92 1sb0 h TYR 64 Cb 0.06 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 1sb0 h TYR 64 CO -0.07 -0.21 -0.24 1.88 -1.64 0.00 0.00 178.16 177.88 1sb0 h TYR 65 N -0.01 -0.63 0.45 -3.82 0.05 -0.69 -2.10 116.97 110.22 1sb0 h TYR 65 Ca 0.23 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 59.01 1sb0 h TYR 65 Cb 0.36 0.26 -0.02 0.00 1.01 0.00 0.00 36.73 38.33 1sb0 h TYR 65 CO -0.42 -0.34 -0.50 1.25 -1.05 0.00 0.00 178.16 177.10 1sb0 h HIS 66 N -0.47 -1.39 -0.05 4.88 2.76 0.78 0.15 115.15 121.81 1sb0 h HIS 66 Ca 0.01 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.13 1sb0 h HIS 66 Cb 0.47 0.55 -0.01 0.00 1.55 0.00 0.00 27.41 29.96 1sb0 h HIS 66 CO -0.19 -0.65 -0.30 1.37 -1.30 0.00 0.00 177.93 176.86 1sb0 h LEU 67 N -0.96 0.08 -0.19 0.26 8.10 -0.83 0.11 115.31 121.88 1sb0 h LEU 67 Ca -0.06 -0.02 -0.03 0.00 0.11 0.00 0.00 57.88 57.88 1sb0 h LEU 67 Cb 0.84 -0.02 -0.01 0.00 -0.44 0.00 0.00 40.66 41.03 1sb0 h LEU 67 CO -0.09 0.38 -0.00 -0.07 -4.11 0.00 0.00 178.44 174.55 1sb0 h LEU 68 N 0.08 0.33 -0.48 0.17 3.38 -1.20 0.48 115.31 118.07 1sb0 h LEU 68 Ca 0.01 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 57.71 1sb0 h LEU 68 Cb 0.57 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 1sb0 h LEU 68 CO 0.04 0.57 0.22 0.00 0.09 0.00 0.00 178.44 179.36 1sb0 h ALA 69 N 0.78 0.61 -0.14 1.53 0.00 -0.16 0.84 119.26 122.71 1sb0 h ALA 69 Ca 0.05 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1sb0 h ALA 69 Cb 0.40 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1sb0 h ALA 69 CO 0.01 -0.14 0.00 1.49 0.00 0.00 0.00 179.25 180.61 1sb0 h GLU 70 N 0.44 0.05 -0.29 0.00 4.57 -0.74 0.17 114.58 118.78 1sb0 h GLU 70 Ca 0.22 -0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.46 1sb0 h GLU 70 Cb 0.16 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.67 1sb0 h GLU 70 CO -0.17 0.03 -0.12 -0.22 -1.18 0.00 0.00 179.01 177.35 1sb0 h LYS 71 N 0.05 -0.07 -0.48 1.92 1.63 -0.24 0.72 116.57 120.10 1sb0 h LYS 71 Ca 0.07 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 59.94 1sb0 h LYS 71 Cb 0.08 0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 31.67 1sb0 h LYS 71 CO -0.11 -0.05 0.16 0.82 -3.45 0.00 0.00 179.45 176.82 1sb0 h ILE 72 N -0.07 0.82 0.30 2.00 2.04 -0.49 0.80 117.51 122.91 1sb0 h ILE 72 Ca 0.15 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1sb0 h ILE 72 Cb 0.29 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 1sb0 h ILE 72 CO -0.33 0.06 -0.41 0.22 0.00 0.00 0.00 178.15 177.68 1sb0 h TYR 73 N 0.32 -1.14 -0.12 1.37 5.03 0.39 0.12 116.97 122.94 1sb0 h TYR 73 Ca 0.23 0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.60 1sb0 h TYR 73 Cb 0.25 0.46 -0.05 0.00 1.55 0.00 0.00 36.73 38.94 1sb0 h TYR 73 CO -0.17 -0.55 -0.21 0.87 -1.32 0.00 0.00 178.16 176.78 1sb0 h LYS 74 N -0.77 -0.26 -0.14 1.82 1.57 -0.67 -0.73 116.57 117.39 1sb0 h LYS 74 Ca -0.02 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1sb0 h LYS 74 Cb 0.72 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.04 1sb0 h LYS 74 CO -0.13 -0.17 -0.37 0.82 -0.57 0.00 0.00 179.45 179.03 1sb0 h ILE 75 N -0.27 0.00 -0.71 1.86 2.04 -0.55 0.83 117.51 120.71 1sb0 h ILE 75 Ca 0.10 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.07 1sb0 h ILE 75 Cb 0.41 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.41 1sb0 h ILE 75 CO -0.28 0.00 0.31 1.56 0.00 0.00 0.00 178.15 179.74 1sb0 h GLN 76 N -0.35 0.48 0.61 2.37 1.08 -0.45 0.25 115.11 119.11 1sb0 h GLN 76 Ca 0.03 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 1sb0 h GLN 76 Cb 0.44 -0.11 0.01 0.00 -0.05 0.00 0.00 27.48 27.76 1sb0 h GLN 76 CO -0.32 0.32 -0.30 0.87 -0.95 0.00 0.00 178.83 178.45 1sb0 h LYS 77 N 0.50 -0.80 -0.45 1.46 6.56 -0.67 0.26 116.57 123.44 1sb0 h LYS 77 Ca 0.37 0.05 0.08 0.00 -1.06 0.00 0.00 60.65 60.10 1sb0 h LYS 77 Cb 0.48 0.18 -0.07 0.00 -0.57 0.00 0.00 32.23 32.25 1sb0 h LYS 77 CO -0.33 -0.49 0.01 0.93 -2.06 0.00 0.00 179.45 177.51 1sb0 h GLU 78 N -0.96 0.12 0.07 3.15 4.39 -0.37 -2.06 114.58 118.92 1sb0 h GLU 78 Ca -0.08 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 1sb0 h GLU 78 Cb 0.67 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1sb0 h GLU 78 CO 0.14 0.08 -0.03 -0.07 -1.16 0.00 0.00 179.01 177.97 1sb0 h LEU 79 N 0.12 -0.08 -0.80 1.33 -0.00 -0.51 -3.19 115.31 112.18 1sb0 h LEU 79 Ca 0.22 -0.27 0.17 0.00 -0.00 0.00 0.00 57.88 58.01 1sb0 h LEU 79 Cb 0.32 0.02 -0.11 0.00 -0.00 0.00 0.00 40.66 40.89 1sb0 h LEU 79 CO -0.36 0.23 0.30 -0.08 -0.00 0.00 0.00 178.44 178.53 1sb0 h GLU 80 N -0.39 0.38 -0.83 1.13 4.81 -0.14 0.49 114.58 120.03 1sb0 h GLU 80 Ca -0.01 -0.02 0.17 0.00 -0.13 0.00 0.00 59.36 59.37 1sb0 h GLU 80 Cb 0.34 -0.09 -0.10 0.00 0.63 0.00 0.00 28.75 29.53 1sb0 h GLU 80 CO 0.02 0.25 0.37 0.93 -0.73 0.00 0.00 179.01 179.85 1sb0 h GLU 81 N 0.40 0.47 0.07 1.92 5.08 -1.37 -0.06 114.58 121.09 1sb0 h GLU 81 Ca 0.46 -0.03 -0.28 0.00 -1.00 0.00 0.00 59.36 58.51 1sb0 h GLU 81 Cb 0.77 -0.11 0.02 0.00 0.50 0.00 0.00 28.75 29.93 1sb0 h GLU 81 CO -0.47 0.31 -1.15 0.87 -1.00 0.00 0.00 179.01 177.58 1sb0 h LYS 82 N 0.49 0.58 -0.72 2.33 1.57 -0.22 0.16 116.57 120.76 1sb0 h LYS 82 Ca 0.48 -0.72 0.10 0.00 -1.87 0.00 0.00 60.65 58.64 1sb0 h LYS 82 Cb 0.78 0.23 -0.08 0.00 0.08 0.00 0.00 32.23 33.24 1sb0 h LYS 82 CO -0.43 1.31 0.34 0.00 -0.57 0.00 0.00 179.45 180.10 1sb0 h ARG 83 N 0.28 0.55 0.36 3.15 3.08 -0.06 -2.99 114.38 118.76 1sb0 h ARG 83 Ca -0.15 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.85 1sb0 h ARG 83 Cb 1.81 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.74 1sb0 h ARG 83 CO 0.22 0.36 -0.17 0.00 -1.07 0.00 0.00 179.97 179.30 1sb0 h ARG 84 N 0.56 -0.47 -5.53 0.04 3.08 -1.02 -3.43 114.38 107.61 1sb0 h ARG 84 Ca 0.36 0.03 -0.63 0.00 0.07 0.00 0.00 59.98 59.81 1sb0 h ARG 84 Cb 0.43 0.11 -0.14 0.00 0.08 0.00 0.00 29.97 30.44 1sb0 h ARG 84 CO -0.30 -0.31 0.45 0.45 -1.07 0.00 0.00 179.97 179.19 1sb0 s SER 85 N -4.06 6.26 0.32 7.04 0.15 0.57 -4.91 113.70 119.06 1sb0 s SER 85 Ca -0.07 -0.69 -0.00 0.00 0.70 0.00 0.00 55.95 55.88 1sb0 s SER 85 Cb 0.01 -2.40 0.52 0.00 -1.71 0.00 0.00 66.02 62.43 1sb0 s SER 85 CO 0.21 -1.23 1.99 0.03 1.20 0.00 0.00 173.24 175.44 1sb0 h ARG 86 N 9.33 0.99 0.00 5.44 -0.00 -1.85 -3.39 114.38 124.90 1sb0 h ARG 86 Ca -0.27 -0.06 0.00 0.00 -0.50 0.00 0.00 59.98 59.15 1sb0 h ARG 86 Cb 1.08 -0.22 0.00 0.00 0.00 0.00 0.00 29.97 30.82 1sb0 h ARG 86 CO 1.10 0.66 0.00 1.28 0.00 0.00 0.00 179.97 183.00