#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sb0 h VAL 2 N 0.00 1.19 -3.61 1.61 -1.51 -1.89 -3.41 116.25 108.64 1sb0 h VAL 2 Ca 0.00 -0.79 -0.60 0.00 -1.23 0.00 0.00 66.70 64.08 1sb0 h VAL 2 Cb 0.00 1.04 -0.10 0.00 -2.13 0.00 0.00 31.29 30.10 1sb0 h VAL 2 CO 0.00 0.26 0.60 -0.13 -1.23 0.00 0.00 177.57 177.07 1sb0 s ARG 3 N -4.88 3.65 -0.00 5.19 0.52 -1.26 -4.67 118.95 117.50 1sb0 s ARG 3 Ca -0.07 0.32 0.00 0.00 -0.52 0.00 0.00 55.73 55.46 1sb0 s ARG 3 Cb 0.15 -3.88 0.00 0.00 0.52 0.00 0.00 34.95 31.74 1sb0 s ARG 3 CO 0.75 -1.13 0.68 1.63 0.02 0.00 0.00 175.30 177.26 1sb0 n LYS 4 N 7.05 1.06 0.00 3.54 4.76 -1.26 -5.02 118.16 128.29 1sb0 n LYS 4 Ca 0.07 -0.87 0.00 0.00 -2.87 0.00 0.00 58.31 54.64 1sb0 n LYS 4 Cb 0.48 -0.68 0.00 0.00 -1.84 0.00 0.00 35.03 32.99 1sb0 n LYS 4 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1sb0 n GLY 5 N -0.18 1.40 0.22 0.72 0.00 -1.26 -4.39 105.19 101.69 1sb0 n GLY 5 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 0.18 -0.93 1.61 5.08 -1.95 -3.35 115.95 116.58 1sb0 h TRP 6 Ca 0.00 -0.03 0.13 0.00 1.08 0.00 0.00 58.89 60.07 1sb0 h TRP 6 Cb 0.00 -0.05 -0.14 0.00 -3.00 0.00 0.00 29.16 25.97 1sb0 h TRP 6 CO 0.00 0.40 -0.40 -2.39 -1.28 0.00 0.00 178.44 174.78 1sb0 n HIS 7 N -4.19 -0.05 0.27 0.12 1.44 -1.26 -0.48 115.22 111.08 1sb0 n HIS 7 Ca -0.01 1.15 0.13 0.00 -2.01 0.00 0.00 57.72 56.98 1sb0 n HIS 7 Cb 0.34 -0.80 0.79 0.00 0.12 0.00 0.00 29.99 30.44 1sb0 n HIS 7 CO 0.00 0.00 0.00 1.05 -2.81 0.00 0.00 176.34 174.58 1sb0 h GLU 8 N 0.00 0.00 0.00 -1.40 4.11 -1.88 -1.16 114.58 114.25 1sb0 h GLU 8 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.72 1sb0 h GLU 8 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1sb0 h GLU 8 CO -0.91 0.08 0.00 0.45 0.07 0.00 0.00 179.01 178.69 1sb0 h HIS 9 N 0.00 0.00 -3.28 2.06 3.86 -1.02 -3.38 115.15 113.39 1sb0 h HIS 9 Ca -0.00 0.00 -0.74 0.00 -1.16 0.00 0.00 60.37 58.47 1sb0 h HIS 9 Cb 0.21 0.00 -0.25 0.00 1.06 0.00 0.00 27.41 28.42 1sb0 h HIS 9 CO 0.00 0.00 -0.34 0.08 0.86 0.00 0.00 177.93 178.53 1sb0 s VAL 10 N -3.57 4.86 0.84 2.45 1.01 -0.44 -5.08 120.40 120.46 1sb0 s VAL 10 Ca 0.02 -1.36 -0.11 0.00 0.00 0.00 0.00 61.98 60.53 1sb0 s VAL 10 Cb 0.09 -4.01 0.10 0.00 0.00 0.00 0.00 36.38 32.55 1sb0 s VAL 10 CO 0.54 -0.67 1.10 0.42 0.00 0.00 0.00 175.10 176.49 1sb0 s THR 11 N 1.54 2.90 0.24 3.92 -4.23 -1.26 -4.78 115.64 113.98 1sb0 s THR 11 Ca 0.04 0.29 -0.04 0.00 -1.18 0.00 0.00 61.69 60.80 1sb0 s THR 11 Cb -0.26 -2.67 0.21 0.00 1.34 0.00 0.00 72.50 71.12 1sb0 s THR 11 CO 0.04 -0.38 1.77 -0.61 -0.54 0.00 0.00 174.62 174.89 1sb0 h GLN 12 N -1.41 0.59 -0.44 3.99 -0.00 -1.95 0.11 115.11 116.00 1sb0 h GLN 12 Ca -0.45 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.17 1sb0 h GLN 12 Cb 1.25 -0.13 -0.02 0.00 0.00 0.00 0.00 27.48 28.58 1sb0 h GLN 12 CO 0.50 0.39 0.29 0.22 0.00 0.00 0.00 178.83 180.23 1sb0 h ASP 13 N 0.61 0.50 -0.45 -0.69 3.58 -1.99 0.85 116.42 118.84 1sb0 h ASP 13 Ca 0.41 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.85 1sb0 h ASP 13 Cb 0.51 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.41 1sb0 h ASP 13 CO -0.32 0.36 0.30 0.25 -2.88 0.00 0.00 179.24 176.95 1sb0 h LEU 14 N 0.59 0.53 -0.37 2.28 5.85 -1.57 0.16 115.31 122.78 1sb0 h LEU 14 Ca 0.16 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.93 1sb0 h LEU 14 Cb -0.07 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 40.77 1sb0 h LEU 14 CO -0.04 0.39 -0.04 0.03 -0.34 0.00 0.00 178.44 178.45 1sb0 h ARG 15 N 0.61 0.06 -0.33 1.25 3.08 -0.36 0.19 114.38 118.87 1sb0 h ARG 15 Ca 0.17 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.26 1sb0 h ARG 15 Cb -0.06 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 29.94 1sb0 h ARG 15 CO -0.04 0.04 0.09 0.77 -1.07 0.00 0.00 179.97 179.76 1sb0 h SER 16 N 0.06 0.06 -0.56 7.04 0.02 -0.39 0.66 113.55 120.44 1sb0 h SER 16 Ca 0.18 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1sb0 h SER 16 Cb 0.26 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 1sb0 h SER 16 CO -0.34 0.07 0.37 -0.74 -1.14 0.00 0.00 176.83 175.05 1sb0 h HIS 17 N 0.21 0.71 -0.19 3.45 6.17 0.11 0.27 115.15 125.87 1sb0 h HIS 17 Ca 0.16 0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.23 1sb0 h HIS 17 Cb 0.16 -0.24 -0.01 0.00 2.52 0.00 0.00 27.41 29.84 1sb0 h HIS 17 CO -0.17 0.45 0.06 -0.07 0.71 0.00 0.00 177.93 178.92 1sb0 h LEU 18 N 0.76 0.28 -0.44 0.26 3.38 -0.30 0.51 115.31 119.76 1sb0 h LEU 18 Ca 0.20 -0.20 0.09 0.00 0.09 0.00 0.00 57.88 58.07 1sb0 h LEU 18 Cb -0.08 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 40.51 1sb0 h LEU 18 CO -0.04 0.41 -0.18 0.58 0.09 0.00 0.00 178.44 179.29 1sb0 h VAL 19 N 0.14 0.43 -0.20 1.22 2.07 -0.52 0.24 116.25 119.63 1sb0 h VAL 19 Ca 0.06 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.64 1sb0 h VAL 19 Cb 0.22 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 30.36 1sb0 h VAL 19 CO -0.00 0.00 -0.18 -0.74 0.02 0.00 0.00 177.57 176.66 1sb0 h HIS 20 N -0.09 -0.47 -0.87 1.57 -0.00 -0.65 -0.88 115.15 113.76 1sb0 h HIS 20 Ca 0.21 0.03 0.14 0.00 -0.00 0.00 0.00 60.37 60.75 1sb0 h HIS 20 Cb 0.42 0.24 -0.09 0.00 -0.00 0.00 0.00 27.41 27.98 1sb0 h HIS 20 CO -0.44 -0.26 0.47 0.87 -0.00 0.00 0.00 177.93 178.57 1sb0 h LYS 21 N -0.20 0.68 0.07 5.26 1.79 0.41 0.70 116.57 125.28 1sb0 h LYS 21 Ca 0.12 -0.04 0.01 0.00 -2.18 0.00 0.00 60.65 58.56 1sb0 h LYS 21 Cb 0.38 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.86 1sb0 h LYS 21 CO -0.32 0.45 -0.14 -0.07 -1.08 0.00 0.00 179.45 178.30 1sb0 h LEU 22 N 0.70 -0.38 -0.25 2.94 3.38 0.37 0.25 115.31 122.33 1sb0 h LEU 22 Ca 0.46 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.53 1sb0 h LEU 22 Cb 0.60 0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.44 1sb0 h LEU 22 CO -0.33 -0.20 -0.11 0.58 0.09 0.00 0.00 178.44 178.47 1sb0 h VAL 23 N -0.26 0.63 -0.34 1.22 2.07 0.06 -0.09 116.25 119.53 1sb0 h VAL 23 Ca 0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.57 1sb0 h VAL 23 Cb 0.29 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1sb0 h VAL 23 CO -0.09 0.00 0.17 1.56 0.02 0.00 0.00 177.57 179.24 1sb0 h GLN 24 N -0.08 0.35 -0.59 1.57 1.08 -0.62 0.25 115.11 117.07 1sb0 h GLN 24 Ca 0.13 -0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.27 1sb0 h GLN 24 Cb 0.28 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.60 1sb0 h GLN 24 CO -0.30 0.23 0.22 0.00 -0.95 0.00 0.00 178.83 178.03 1sb0 h ALA 25 N 1.17 0.77 0.65 3.87 0.00 0.04 -1.10 119.26 124.65 1sb0 h ALA 25 Ca 0.14 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1sb0 h ALA 25 Cb 0.05 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.61 1sb0 h ALA 25 CO -0.09 0.40 -0.31 0.82 0.00 0.00 0.00 179.25 180.06 1sb0 h ILE 26 N 0.82 0.00 -3.19 0.00 2.04 -0.91 -3.44 117.51 112.84 1sb0 h ILE 26 Ca 0.20 -0.12 -0.59 0.00 1.00 0.00 0.00 64.86 65.34 1sb0 h ILE 26 Cb 0.23 0.00 -0.40 0.00 -0.74 0.00 0.00 36.82 35.91 1sb0 h ILE 26 CO -0.01 0.00 -0.75 0.12 0.00 0.00 0.00 178.15 177.51 1sb0 s PHE 27 N -4.64 1.94 -0.40 1.37 2.19 0.86 -5.06 117.98 114.24 1sb0 s PHE 27 Ca -0.13 -1.94 -0.28 0.00 0.33 0.00 0.00 56.93 54.91 1sb0 s PHE 27 Cb 0.01 -1.85 -0.02 0.00 -1.31 0.00 0.00 43.02 39.85 1sb0 s PHE 27 CO 0.38 -0.88 1.83 -1.25 1.83 0.00 0.00 175.22 177.13 1sb0 s PRO 28 N 1.41 3.14 0.28 10.12 0.04 -0.44 -3.81 135.00 145.73 1sb0 s PRO 28 Ca 0.11 1.24 -0.29 0.00 0.04 0.00 0.00 61.00 62.10 1sb0 s PRO 28 Cb -0.18 -4.25 -0.10 0.00 0.04 0.00 0.00 34.50 30.01 1sb0 s PRO 28 CO -0.21 -2.09 1.30 0.95 0.04 0.00 0.00 177.00 176.99 1sb0 s THR 29 N 7.53 2.93 0.34 1.26 -4.23 -1.26 -4.92 115.64 117.29 1sb0 s THR 29 Ca 0.77 0.87 0.12 0.00 -1.18 0.00 0.00 61.69 62.27 1sb0 s THR 29 Cb -0.20 -3.55 0.34 0.00 1.34 0.00 0.00 72.50 70.43 1sb0 s THR 29 CO 0.30 0.18 1.74 -0.65 -0.54 0.00 0.00 174.62 175.66 1sb0 h PRO 30 N 4.18 0.51 -2.76 3.99 0.11 -2.00 -3.41 132.00 132.62 1sb0 h PRO 30 Ca -0.47 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.48 1sb0 h PRO 30 Cb 1.22 -0.11 -0.25 0.00 0.11 0.00 0.00 31.00 31.97 1sb0 h PRO 30 CO 0.70 0.34 -0.26 0.34 -0.21 0.00 0.00 178.00 178.91 1sb0 s ASP 31 N -5.22 -0.43 0.34 -2.05 -1.08 -1.26 -5.04 116.67 101.93 1sb0 s ASP 31 Ca -0.10 0.81 0.14 0.00 -0.52 0.00 0.00 52.55 52.88 1sb0 s ASP 31 Cb 0.27 0.80 1.05 0.00 -1.46 0.00 0.00 42.92 43.58 1sb0 s ASP 31 CO 0.80 -0.15 1.68 -0.65 0.52 0.00 0.00 175.17 177.37 1sb0 h PRO 32 N 5.83 0.37 -0.38 4.34 0.11 -2.02 0.96 132.00 141.21 1sb0 h PRO 32 Ca -0.29 -0.02 0.11 0.00 0.11 0.00 0.00 66.00 65.91 1sb0 h PRO 32 Cb 1.18 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1sb0 h PRO 32 CO 0.26 0.24 0.41 0.00 -0.21 0.00 0.00 178.00 178.71 1sb0 h ALA 33 N 1.81 2.09 0.00 -0.75 0.00 -1.98 -0.22 119.26 120.21 1sb0 h ALA 33 Ca 0.71 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.61 1sb0 h ALA 33 Cb 1.59 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1sb0 h ALA 33 CO -0.56 -0.61 0.00 0.00 0.00 0.00 0.00 179.25 178.08 1sb0 n ALA 34 N -2.35 1.69 -0.27 0.00 0.00 0.33 -3.57 120.51 116.35 1sb0 n ALA 34 Ca 0.07 0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.65 1sb0 n ALA 34 Cb 0.58 -1.35 0.35 0.00 0.00 0.00 0.00 19.45 19.03 1sb0 n ALA 34 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1sb0 h LEU 35 N 0.00 0.71 -4.71 0.00 3.38 -1.19 -3.15 115.31 110.35 1sb0 h LEU 35 Ca 0.00 0.03 -0.48 0.00 0.09 0.00 0.00 57.88 57.53 1sb0 h LEU 35 Cb 0.35 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1sb0 h LEU 35 CO 0.00 0.39 2.30 2.29 0.09 0.00 0.00 178.44 183.51 1sb0 n LYS 36 N -4.55 2.95 -4.51 1.13 2.85 -1.23 -4.00 118.16 110.80 1sb0 n LYS 36 Ca 0.16 -1.70 -0.23 0.00 -1.05 0.00 0.00 58.31 55.49 1sb0 n LYS 36 Cb 0.40 -2.48 -0.14 0.00 -0.65 0.00 0.00 35.03 32.16 1sb0 n LYS 36 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1sb0 s ASP 37 N 2.23 2.14 0.28 -5.58 -1.08 -1.19 -5.03 116.67 108.44 1sb0 s ASP 37 Ca 0.65 -0.50 0.01 0.00 -0.52 0.00 0.00 52.55 52.19 1sb0 s ASP 37 Cb 0.22 -0.16 0.62 0.00 -1.46 0.00 0.00 42.92 42.13 1sb0 s ASP 37 CO -0.04 0.10 1.74 0.03 0.52 0.00 0.00 175.17 177.52 1sb0 h ARG 38 N 4.86 0.52 0.31 4.34 2.47 -1.92 0.85 114.38 125.82 1sb0 h ARG 38 Ca -0.41 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.27 1sb0 h ARG 38 Cb 1.17 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.37 1sb0 h ARG 38 CO 0.44 0.34 -0.15 0.00 0.56 0.00 0.00 179.97 181.16 1sb0 h ARG 39 N 0.54 -0.40 -0.98 0.04 3.08 -1.97 -3.33 114.38 111.35 1sb0 h ARG 39 Ca 0.51 0.03 0.20 0.00 0.07 0.00 0.00 59.98 60.78 1sb0 h ARG 39 Cb 0.83 0.09 -0.09 0.00 0.08 0.00 0.00 29.97 30.88 1sb0 h ARG 39 CO -0.43 -0.09 0.61 0.52 -1.07 0.00 0.00 179.97 179.52 1sb0 h MET 40 N -0.95 0.63 -1.23 0.04 2.86 -1.53 0.35 114.93 115.09 1sb0 h MET 40 Ca -0.04 -0.04 0.39 0.00 -2.06 0.00 0.00 59.70 57.95 1sb0 h MET 40 Cb 0.51 -0.14 -0.12 0.00 0.06 0.00 0.00 31.60 31.90 1sb0 h MET 40 CO 0.07 0.42 0.79 0.93 1.06 0.00 0.00 176.91 180.18 1sb0 h GLU 41 N 0.65 0.15 -0.08 1.72 5.08 -0.98 0.20 114.58 121.31 1sb0 h GLU 41 Ca 0.55 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.89 1sb0 h GLU 41 Cb 1.00 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 1sb0 h GLU 41 CO -0.31 0.10 0.01 -0.91 -1.00 0.00 0.00 179.01 176.90 1sb0 h ASN 42 N 0.16 0.14 -0.48 1.42 2.35 -1.10 0.12 115.58 118.19 1sb0 h ASN 42 Ca 0.77 -0.27 -0.03 0.00 -0.55 0.00 0.00 56.30 56.22 1sb0 h ASN 42 Cb 2.29 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 40.60 1sb0 h ASN 42 CO -0.41 0.37 0.18 -0.07 -1.65 0.00 0.00 177.43 175.85 1sb0 h LEU 43 N -0.10 0.68 -0.07 1.61 4.07 -0.85 0.51 115.31 121.15 1sb0 h LEU 43 Ca 0.03 -0.18 0.04 0.00 0.08 0.00 0.00 57.88 57.84 1sb0 h LEU 43 Cb 0.29 -0.18 -0.04 0.00 1.08 0.00 0.00 40.66 41.81 1sb0 h LEU 43 CO 0.00 0.68 -0.18 0.58 -1.08 0.00 0.00 178.44 178.44 1sb0 h VAL 44 N 0.64 0.55 -0.13 1.22 2.07 -0.80 0.10 116.25 119.91 1sb0 h VAL 44 Ca 0.16 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.71 1sb0 h VAL 44 Cb 0.22 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 1sb0 h VAL 44 CO -0.01 0.00 -0.09 0.00 0.02 0.00 0.00 177.57 177.49 1sb0 h ALA 45 N 0.71 0.01 -0.16 1.67 0.00 -0.41 0.95 119.26 122.03 1sb0 h ALA 45 Ca 0.08 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1sb0 h ALA 45 Cb 0.37 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1sb0 h ALA 45 CO -0.22 -0.54 -0.15 -0.92 0.00 0.00 0.00 179.25 177.42 1sb0 h TYR 46 N -0.10 -0.37 -0.45 0.00 5.03 -0.65 0.30 116.97 120.73 1sb0 h TYR 46 Ca 0.08 0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.46 1sb0 h TYR 46 Cb 0.22 0.19 -0.04 0.00 1.55 0.00 0.00 36.73 38.65 1sb0 h TYR 46 CO -0.22 -0.21 0.20 0.00 -1.32 0.00 0.00 178.16 176.61 1sb0 h ALA 47 N 0.92 0.55 0.10 1.82 0.00 -0.35 0.13 119.26 122.43 1sb0 h ALA 47 Ca 0.10 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1sb0 h ALA 47 Cb 0.32 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1sb0 h ALA 47 CO -0.26 -0.17 -0.19 0.87 0.00 0.00 0.00 179.25 179.50 1sb0 h LYS 48 N 0.40 -0.35 -0.07 0.00 1.57 -0.43 0.13 116.57 117.81 1sb0 h LYS 48 Ca 0.20 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 59.04 1sb0 h LYS 48 Cb 0.14 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.47 1sb0 h LYS 48 CO -0.16 -0.24 -0.31 0.87 -0.57 0.00 0.00 179.45 179.04 1sb0 h LYS 49 N -0.37 -0.41 -0.28 3.15 1.57 -0.44 0.78 116.57 120.58 1sb0 h LYS 49 Ca 0.03 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1sb0 h LYS 49 Cb 0.39 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1sb0 h LYS 49 CO -0.11 -0.27 0.12 0.28 -0.57 0.00 0.00 179.45 178.90 1sb0 h VAL 50 N -0.43 1.17 -0.34 0.50 2.07 -0.63 0.75 116.25 119.33 1sb0 h VAL 50 Ca 0.08 -0.49 0.04 0.00 0.82 0.00 0.00 66.70 67.14 1sb0 h VAL 50 Cb 0.55 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 1sb0 h VAL 50 CO -0.31 0.17 0.13 -0.08 0.02 0.00 0.00 177.57 177.51 1sb0 h GLU 51 N 0.32 0.28 0.00 1.57 4.22 -0.53 0.37 114.58 120.81 1sb0 h GLU 51 Ca 0.10 -0.02 0.03 0.00 0.08 0.00 0.00 59.36 59.55 1sb0 h GLU 51 Cb 0.16 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 1sb0 h GLU 51 CO -0.01 0.19 -0.34 0.78 -2.18 0.00 0.00 179.01 177.44 1sb0 h GLY 52 N 0.29 -0.59 0.00 1.92 0.00 -0.56 0.11 103.07 104.24 1sb0 h GLY 52 Ca 0.15 0.42 0.09 0.00 0.00 0.00 0.00 47.33 47.99 1sb0 h GLY 52 CO -0.14 -0.24 -0.19 -1.80 0.00 0.00 0.00 176.54 174.17 1sb0 h ASP 53 N -0.50 -0.65 -0.66 0.19 3.58 -0.29 0.54 116.42 118.63 1sb0 h ASP 53 Ca 0.06 0.16 -0.02 0.00 0.42 0.00 0.00 57.03 57.65 1sb0 h ASP 53 Cb 0.59 0.36 -0.03 0.00 1.72 0.00 0.00 39.33 41.96 1sb0 h ASP 53 CO -0.28 -0.22 0.35 0.24 -2.88 0.00 0.00 179.24 176.45 1sb0 h MET 54 N -0.10 0.93 -0.29 0.28 2.86 -0.60 0.38 114.93 118.38 1sb0 h MET 54 Ca 0.21 -0.12 0.04 0.00 -2.06 0.00 0.00 59.70 57.77 1sb0 h MET 54 Cb 0.42 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.86 1sb0 h MET 54 CO -0.49 0.71 0.04 -0.92 1.06 0.00 0.00 176.91 177.31 1sb0 h TYR 55 N 0.91 0.06 -0.41 -0.22 5.03 0.42 0.19 116.97 122.94 1sb0 h TYR 55 Ca 0.23 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.51 1sb0 h TYR 55 Cb 0.06 0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.34 1sb0 h TYR 55 CO -0.00 -0.00 0.03 0.93 -1.32 0.00 0.00 178.16 177.80 1sb0 h GLU 56 N 0.14 0.64 0.05 1.82 4.39 -0.63 -3.27 114.58 117.71 1sb0 h GLU 56 Ca 0.14 -0.14 -0.10 0.00 0.34 0.00 0.00 59.36 59.59 1sb0 h GLU 56 Cb 0.16 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1sb0 h GLU 56 CO -0.19 0.64 -0.43 0.77 -1.16 0.00 0.00 179.01 178.63 1sb0 h SER 57 N 0.61 0.29 -2.20 1.42 0.02 -0.27 -2.88 113.55 110.54 1sb0 h SER 57 Ca 0.13 -0.90 -0.56 0.00 -0.84 0.00 0.00 61.79 59.63 1sb0 h SER 57 Cb 0.34 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 62.80 1sb0 h SER 57 CO 0.01 1.16 1.30 0.00 -1.14 0.00 0.00 176.83 178.16 1sb0 n ALA 58 N -2.61 1.57 0.76 3.77 0.00 0.60 -4.89 120.51 119.71 1sb0 n ALA 58 Ca -0.11 0.09 0.09 0.00 0.00 0.00 0.00 53.44 53.51 1sb0 n ALA 58 Cb 0.63 -2.73 0.44 0.00 0.00 0.00 0.00 19.45 17.79 1sb0 n ALA 58 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1sb0 n ASN 59 N 8.63 0.00 -3.53 0.00 0.23 -1.26 -4.83 115.26 114.49 1sb0 n ASN 59 Ca 0.23 0.30 -0.16 0.00 -0.53 0.00 0.00 54.58 54.43 1sb0 n ASN 59 Cb 0.41 -0.41 -0.05 0.00 -2.08 0.00 0.00 39.78 37.64 1sb0 n ASN 59 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1sb0 s SER 60 N -2.83 -0.56 0.26 0.53 0.15 -1.26 -4.92 113.70 105.07 1sb0 s SER 60 Ca 0.13 0.44 -0.02 0.00 0.70 0.00 0.00 55.95 57.20 1sb0 s SER 60 Cb 0.13 0.52 0.43 0.00 -1.71 0.00 0.00 66.02 65.39 1sb0 s SER 60 CO 0.32 -0.68 1.85 -0.09 1.20 0.00 0.00 173.24 175.85 1sb0 h ARG 61 N 2.86 0.99 -0.31 5.44 2.43 -1.91 0.12 114.38 124.00 1sb0 h ARG 61 Ca -0.29 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 58.85 1sb0 h ARG 61 Cb 1.19 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 30.48 1sb0 h ARG 61 CO 0.39 0.65 0.11 0.22 -1.51 0.00 0.00 179.97 179.84 1sb0 h ASP 62 N 1.02 0.13 0.19 -3.80 3.58 -1.99 0.11 116.42 115.66 1sb0 h ASP 62 Ca 0.44 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.91 1sb0 h ASP 62 Cb 0.30 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 1sb0 h ASP 62 CO -0.21 0.11 -0.14 -0.08 -2.88 0.00 0.00 179.24 176.04 1sb0 h GLU 63 N 0.25 -0.32 -0.57 0.28 4.81 -1.73 0.27 114.58 117.58 1sb0 h GLU 63 Ca 0.14 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.50 1sb0 h GLU 63 Cb 0.10 0.07 -0.11 0.00 0.63 0.00 0.00 28.75 29.44 1sb0 h GLU 63 CO -0.13 -0.21 -0.24 -0.92 -0.73 0.00 0.00 179.01 176.77 1sb0 h TYR 64 N -0.33 -0.62 0.43 0.92 3.20 -0.39 0.22 116.97 120.39 1sb0 h TYR 64 Ca -0.01 0.06 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 1sb0 h TYR 64 Cb 0.30 0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.93 1sb0 h TYR 64 CO -0.11 -0.33 -0.21 1.88 -1.64 0.00 0.00 178.16 177.75 1sb0 h TYR 65 N -0.10 -0.54 0.16 -3.82 -1.99 -0.82 -2.43 116.97 107.43 1sb0 h TYR 65 Ca 0.26 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.98 1sb0 h TYR 65 Cb 0.51 0.18 -0.03 0.00 2.00 0.00 0.00 36.73 39.39 1sb0 h TYR 65 CO -0.55 -0.34 -0.39 1.25 -0.00 0.00 0.00 178.16 178.13 1sb0 h HIS 66 N -0.58 -1.11 0.00 4.88 2.76 0.46 -0.01 115.15 121.55 1sb0 h HIS 66 Ca -0.06 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.09 1sb0 h HIS 66 Cb 0.45 0.46 -0.01 0.00 1.55 0.00 0.00 27.41 29.87 1sb0 h HIS 66 CO -0.05 -0.46 -0.24 1.37 -1.30 0.00 0.00 177.93 177.25 1sb0 h LEU 67 N -0.61 0.00 0.51 0.26 8.10 -0.74 0.12 115.31 122.95 1sb0 h LEU 67 Ca -0.02 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.95 1sb0 h LEU 67 Cb 0.59 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.81 1sb0 h LEU 67 CO -0.17 0.24 -0.25 -0.07 -4.11 0.00 0.00 178.44 174.09 1sb0 h LEU 68 N 0.00 -0.58 -0.46 0.17 3.38 -1.15 0.12 115.31 116.79 1sb0 h LEU 68 Ca -0.00 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.00 1sb0 h LEU 68 Cb 0.47 0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.30 1sb0 h LEU 68 CO 0.03 -0.30 0.08 0.00 0.09 0.00 0.00 178.44 178.34 1sb0 h ALA 69 N -0.45 0.50 -0.45 1.53 0.00 -0.51 0.14 119.26 120.02 1sb0 h ALA 69 Ca -0.07 0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1sb0 h ALA 69 Cb 0.59 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1sb0 h ALA 69 CO 0.12 -0.32 0.24 1.49 0.00 0.00 0.00 179.25 180.77 1sb0 h GLU 70 N 0.21 0.46 -0.05 0.00 4.57 -0.77 0.25 114.58 119.25 1sb0 h GLU 70 Ca 0.23 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.41 1sb0 h GLU 70 Cb 0.31 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.76 1sb0 h GLU 70 CO -0.31 0.31 -0.10 -0.22 -1.18 0.00 0.00 179.01 177.51 1sb0 h LYS 71 N 0.48 -0.14 -0.18 1.92 1.63 0.32 0.12 116.57 120.73 1sb0 h LYS 71 Ca 0.19 0.01 0.05 0.00 -0.85 0.00 0.00 60.65 60.05 1sb0 h LYS 71 Cb 0.07 0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 31.67 1sb0 h LYS 71 CO -0.12 -0.09 -0.29 0.82 -3.45 0.00 0.00 179.45 176.32 1sb0 h ILE 72 N -0.14 0.32 -0.24 2.00 2.04 -0.71 0.46 117.51 121.24 1sb0 h ILE 72 Ca 0.05 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.97 1sb0 h ILE 72 Cb 0.21 0.32 -0.07 0.00 -0.74 0.00 0.00 36.82 36.54 1sb0 h ILE 72 CO -0.13 0.00 -0.33 0.22 0.00 0.00 0.00 178.15 177.90 1sb0 h TYR 73 N -0.34 -0.93 0.06 1.37 5.03 -0.44 0.23 116.97 121.95 1sb0 h TYR 73 Ca 0.11 0.05 0.01 0.00 2.58 0.00 0.00 58.73 61.48 1sb0 h TYR 73 Cb 0.52 0.44 -0.02 0.00 1.55 0.00 0.00 36.73 39.22 1sb0 h TYR 73 CO -0.41 -0.40 -0.13 0.87 -1.32 0.00 0.00 178.16 176.77 1sb0 h LYS 74 N -0.35 -0.24 -0.35 1.82 1.57 -0.44 0.11 116.57 118.69 1sb0 h LYS 74 Ca 0.12 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 59.00 1sb0 h LYS 74 Cb 0.55 0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.83 1sb0 h LYS 74 CO -0.43 -0.16 -0.24 0.82 -0.57 0.00 0.00 179.45 178.86 1sb0 h ILE 75 N -0.25 0.36 0.52 1.86 2.04 -0.39 0.11 117.51 121.76 1sb0 h ILE 75 Ca 0.03 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.87 1sb0 h ILE 75 Cb 0.28 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 1sb0 h ILE 75 CO -0.08 0.00 -0.44 1.56 0.00 0.00 0.00 178.15 179.19 1sb0 h GLN 76 N -0.20 -0.92 -0.60 2.37 1.08 -0.64 0.24 115.11 116.45 1sb0 h GLN 76 Ca 0.17 0.06 0.12 0.00 -1.45 0.00 0.00 58.65 57.56 1sb0 h GLN 76 Cb 0.47 0.21 -0.11 0.00 -0.05 0.00 0.00 27.48 28.00 1sb0 h GLN 76 CO -0.47 -0.61 -0.11 0.87 -0.95 0.00 0.00 178.83 177.57 1sb0 h LYS 77 N -0.95 0.03 0.11 1.46 1.79 -0.51 0.68 116.57 119.18 1sb0 h LYS 77 Ca -0.06 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 1sb0 h LYS 77 Cb 0.81 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.46 1sb0 h LYS 77 CO -0.02 0.02 -0.05 0.93 -1.08 0.00 0.00 179.45 179.25 1sb0 h GLU 78 N 0.03 -0.15 -0.03 3.15 4.39 -0.67 0.13 114.58 121.43 1sb0 h GLU 78 Ca 0.29 0.01 -0.20 0.00 0.34 0.00 0.00 59.36 59.80 1sb0 h GLU 78 Cb 0.46 0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1sb0 h GLU 78 CO -0.59 0.23 -0.78 1.25 -1.16 0.00 0.00 179.01 177.96 1sb0 h LEU 79 N -0.97 0.74 -7.17 1.33 5.85 -0.47 -3.34 115.31 111.28 1sb0 h LEU 79 Ca -0.02 -0.72 -0.71 0.00 0.84 0.00 0.00 57.88 57.27 1sb0 h LEU 79 Cb 0.44 -0.22 -0.35 0.00 0.37 0.00 0.00 40.66 40.90 1sb0 h LEU 79 CO 0.03 1.36 0.01 -0.62 -0.34 0.00 0.00 178.44 178.88 1sb0 n GLU 80 N -4.05 2.94 0.00 1.25 1.02 0.22 -5.01 120.64 117.01 1sb0 n GLU 80 Ca -0.10 -4.51 0.00 0.00 -0.02 0.00 0.00 57.16 52.53 1sb0 n GLU 80 Cb 0.75 -2.42 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 1sb0 n GLU 80 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1sb0 n GLU 81 N 2.05 0.00 0.15 3.49 4.71 -1.25 -3.74 120.64 126.06 1sb0 n GLU 81 Ca 0.23 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.38 1sb0 n GLU 81 Cb 0.37 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.80 1sb0 n GLU 81 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 1sb0 n LYS 82 N 0.00 0.01 -0.12 3.49 2.85 0.44 0.05 118.16 124.88 1sb0 n LYS 82 Ca 0.00 0.44 -0.19 0.00 -1.05 0.00 0.00 58.31 57.51 1sb0 n LYS 82 Cb 0.00 -1.32 -0.12 0.00 -0.65 0.00 0.00 35.03 32.94 1sb0 n LYS 82 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1sb0 n ARG 83 N -1.42 0.65 0.09 -1.58 5.12 -1.26 -4.62 116.66 113.63 1sb0 n ARG 83 Ca 0.00 0.17 -0.18 0.00 -1.93 0.00 0.00 57.85 55.91 1sb0 n ARG 83 Cb 0.49 -1.53 -0.14 0.00 -1.16 0.00 0.00 32.46 30.12 1sb0 n ARG 83 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1sb0 h ARG 84 N -0.07 0.29 0.00 5.56 3.08 -0.68 -3.49 114.38 119.07 1sb0 h ARG 84 Ca -0.58 -0.50 0.00 0.00 0.07 0.00 0.00 59.98 58.97 1sb0 h ARG 84 Cb 1.89 0.19 0.00 0.00 0.08 0.00 0.00 29.97 32.12 1sb0 h ARG 84 CO -0.10 1.19 0.00 -1.13 -1.07 0.00 0.00 179.97 178.86 1sb0 n SER 85 N -3.51 0.00 -0.10 7.04 3.41 0.12 -0.92 113.62 119.66 1sb0 n SER 85 Ca -0.14 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.61 1sb0 n SER 85 Cb 1.05 0.00 0.57 0.00 -0.26 0.00 0.00 64.21 65.56 1sb0 n SER 85 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1sb0 n ARG 86 N 2.52 0.55 0.00 4.33 5.12 -1.26 -4.55 116.66 123.37 1sb0 n ARG 86 Ca 0.00 -0.19 0.04 0.00 -1.93 0.00 0.00 57.85 55.76 1sb0 n ARG 86 Cb 0.00 -1.50 0.23 0.00 -1.16 0.00 0.00 32.46 30.03 1sb0 n ARG 86 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59