#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 0.03 0.00 1.61 0.24 -1.26 -4.55 118.33 114.40 1sb0 n VAL 2 Ca 0.00 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 1sb0 n VAL 2 Cb 0.00 -0.96 0.00 0.00 -1.47 0.00 0.00 33.84 31.41 1sb0 n VAL 2 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 1sb0 n ARG 3 N 8.18 0.00 -2.18 7.34 1.85 -1.26 -5.04 116.66 125.54 1sb0 n ARG 3 Ca 0.55 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 57.02 1sb0 n ARG 3 Cb 0.10 -0.03 -0.01 0.00 -1.05 0.00 0.00 32.46 31.47 1sb0 n ARG 3 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1sb0 s LYS 4 N -1.00 3.82 0.35 2.89 3.01 -1.26 -4.90 119.74 122.65 1sb0 s LYS 4 Ca 0.00 1.91 0.14 0.00 -1.01 0.00 0.00 55.97 57.01 1sb0 s LYS 4 Cb 0.00 -2.54 1.03 0.00 -1.01 0.00 0.00 37.83 35.31 1sb0 s LYS 4 CO 0.00 -0.53 1.70 0.78 0.51 0.00 0.00 175.35 177.81 1sb0 h GLY 5 N 2.29 1.83 2.00 -3.33 0.00 -1.99 0.14 103.07 104.01 1sb0 h GLY 5 Ca -0.49 -0.26 -0.10 0.00 0.00 0.00 0.00 47.33 46.48 1sb0 h GLY 5 CO 0.61 -0.33 -0.48 0.11 0.00 0.00 0.00 176.54 176.44 1sb0 h TRP 6 N 0.43 0.00 -0.66 5.60 5.08 -1.90 -3.25 115.95 121.25 1sb0 h TRP 6 Ca 0.68 0.00 0.12 0.00 1.08 0.00 0.00 58.89 60.77 1sb0 h TRP 6 Cb 1.52 0.00 -0.08 0.00 -3.00 0.00 0.00 29.16 27.60 1sb0 h TRP 6 CO -0.01 0.48 0.22 0.45 -1.28 0.00 0.00 178.44 178.31 1sb0 h HIS 7 N 0.00 0.38 -0.81 0.12 3.86 -1.08 0.33 115.15 117.95 1sb0 h HIS 7 Ca -0.00 0.03 0.33 0.00 -1.16 0.00 0.00 60.37 59.57 1sb0 h HIS 7 Cb 0.96 -0.07 -0.14 0.00 1.06 0.00 0.00 27.41 29.22 1sb0 h HIS 7 CO 0.00 0.05 0.45 -1.91 0.86 0.00 0.00 177.93 177.38 1sb0 n GLU 8 N -5.04 -0.05 0.03 2.45 2.13 -1.23 -0.96 120.64 117.98 1sb0 n GLU 8 Ca 0.11 1.07 0.11 0.00 0.66 0.00 0.00 57.16 59.11 1sb0 n GLU 8 Cb 0.33 -1.94 0.08 0.00 0.27 0.00 0.00 31.44 30.19 1sb0 n GLU 8 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1sb0 n HIS 9 N -4.73 0.31 -3.73 4.31 8.25 0.10 -4.83 115.22 114.90 1sb0 n HIS 9 Ca 0.30 0.09 -0.38 0.00 -0.26 0.00 0.00 57.72 57.47 1sb0 n HIS 9 Cb 1.03 -0.46 -0.12 0.00 1.12 0.00 0.00 29.99 31.56 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 -3.16 3.77 0.71 1.59 1.01 -0.13 -5.09 120.40 119.09 1sb0 s VAL 10 Ca 0.05 -1.31 -0.11 0.00 0.00 0.00 0.00 61.98 60.62 1sb0 s VAL 10 Cb 0.14 -3.22 0.01 0.00 0.00 0.00 0.00 36.38 33.32 1sb0 s VAL 10 CO 0.77 -0.30 1.06 0.42 0.00 0.00 0.00 175.10 177.06 1sb0 s THR 11 N 1.37 3.93 0.21 3.92 -4.23 -1.26 -4.86 115.64 114.72 1sb0 s THR 11 Ca 0.00 0.63 -0.08 0.00 -1.18 0.00 0.00 61.69 61.05 1sb0 s THR 11 Cb -0.21 -3.34 0.15 0.00 1.34 0.00 0.00 72.50 70.45 1sb0 s THR 11 CO 0.02 -0.82 1.76 1.56 -0.54 0.00 0.00 174.62 176.60 1sb0 h GLN 12 N -0.77 0.48 -0.38 3.99 7.50 -1.98 0.48 115.11 124.42 1sb0 h GLN 12 Ca -0.44 -0.03 -0.00 0.00 0.50 0.00 0.00 58.65 58.68 1sb0 h GLN 12 Cb 1.21 -0.11 -0.02 0.00 0.05 0.00 0.00 27.48 28.62 1sb0 h GLN 12 CO 0.56 0.32 0.24 0.38 -1.50 0.00 0.00 178.83 178.82 1sb0 h ASP 13 N 0.49 0.45 -0.23 1.46 2.03 -1.98 0.17 116.42 118.81 1sb0 h ASP 13 Ca 0.32 -0.04 0.02 0.00 -0.73 0.00 0.00 57.03 56.60 1sb0 h ASP 13 Cb 0.37 -0.11 -0.02 0.00 -0.83 0.00 0.00 39.33 38.73 1sb0 h ASP 13 CO -0.28 0.36 0.10 0.25 -1.03 0.00 0.00 179.24 178.64 1sb0 h LEU 14 N 0.50 0.14 -0.49 0.15 5.85 -1.75 0.58 115.31 120.29 1sb0 h LEU 14 Ca 0.14 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.97 1sb0 h LEU 14 Cb -0.01 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 40.92 1sb0 h LEU 14 CO -0.03 0.11 -0.01 0.03 -0.34 0.00 0.00 178.44 178.21 1sb0 h ARG 15 N 0.22 0.10 -0.37 1.25 3.08 -0.64 0.27 114.38 118.29 1sb0 h ARG 15 Ca 0.09 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.16 1sb0 h ARG 15 Cb 0.04 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 1sb0 h ARG 15 CO -0.08 0.07 0.19 0.77 -1.07 0.00 0.00 179.97 179.85 1sb0 h SER 16 N 0.10 0.28 -0.43 7.04 0.02 0.01 0.13 113.55 120.71 1sb0 h SER 16 Ca 0.25 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.16 1sb0 h SER 16 Cb 0.37 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 1sb0 h SER 16 CO -0.42 0.20 0.06 -0.74 -1.14 0.00 0.00 176.83 174.80 1sb0 h HIS 17 N 0.38 0.75 -0.31 3.45 6.17 -0.22 0.12 115.15 125.49 1sb0 h HIS 17 Ca 0.15 -0.11 0.02 0.00 0.71 0.00 0.00 60.37 61.14 1sb0 h HIS 17 Cb 0.06 -0.21 -0.02 0.00 2.52 0.00 0.00 27.41 29.76 1sb0 h HIS 17 CO -0.10 0.73 0.17 -0.07 0.71 0.00 0.00 177.93 179.37 1sb0 h LEU 18 N 0.56 0.26 -0.70 0.26 3.38 -0.73 0.60 115.31 118.94 1sb0 h LEU 18 Ca 0.13 0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.23 1sb0 h LEU 18 Cb 0.38 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.01 1sb0 h LEU 18 CO 0.01 0.19 0.28 0.58 0.09 0.00 0.00 178.44 179.59 1sb0 h VAL 19 N 0.35 0.72 -0.21 1.22 2.07 -0.47 0.71 116.25 120.64 1sb0 h VAL 19 Ca 0.13 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.52 1sb0 h VAL 19 Cb 0.02 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 1sb0 h VAL 19 CO -0.08 0.08 0.05 -0.74 0.02 0.00 0.00 177.57 176.91 1sb0 h HIS 20 N 0.45 0.09 -0.84 1.57 -0.00 0.16 0.04 115.15 116.61 1sb0 h HIS 20 Ca 0.37 0.01 0.16 0.00 -0.00 0.00 0.00 60.37 60.91 1sb0 h HIS 20 Cb 0.50 -0.01 -0.10 0.00 -0.00 0.00 0.00 27.41 27.81 1sb0 h HIS 20 CO -0.16 0.03 0.41 0.87 -0.00 0.00 0.00 177.93 179.08 1sb0 h LYS 21 N 0.14 0.54 0.01 5.26 1.79 0.48 0.14 116.57 124.93 1sb0 h LYS 21 Ca 0.09 -0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.54 1sb0 h LYS 21 Cb 0.08 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.59 1sb0 h LYS 21 CO -0.12 0.36 -0.08 -0.07 -1.08 0.00 0.00 179.45 178.47 1sb0 h LEU 22 N 0.56 -0.22 -0.51 2.94 3.38 -0.03 0.10 115.31 121.54 1sb0 h LEU 22 Ca 0.47 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.56 1sb0 h LEU 22 Cb 0.72 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.49 1sb0 h LEU 22 CO -0.40 -0.11 0.10 0.58 0.09 0.00 0.00 178.44 178.70 1sb0 h VAL 23 N -0.14 0.71 -0.36 1.22 2.07 0.70 0.50 116.25 120.95 1sb0 h VAL 23 Ca 0.03 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.52 1sb0 h VAL 23 Cb 0.17 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 1sb0 h VAL 23 CO -0.07 0.04 0.10 1.56 0.02 0.00 0.00 177.57 179.22 1sb0 h GLN 24 N 0.24 0.22 -0.62 1.57 1.08 -0.47 0.33 115.11 117.46 1sb0 h GLN 24 Ca 0.26 -0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.49 1sb0 h GLN 24 Cb 0.35 -0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 27.68 1sb0 h GLN 24 CO -0.34 0.15 0.36 0.00 -0.95 0.00 0.00 178.83 178.05 1sb0 h ALA 25 N 1.25 0.82 -0.33 3.87 0.00 0.33 -1.27 119.26 123.94 1sb0 h ALA 25 Ca 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 1sb0 h ALA 25 Cb 0.17 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1sb0 h ALA 25 CO -0.20 0.05 -0.41 0.82 0.00 0.00 0.00 179.25 179.52 1sb0 h ILE 26 N 0.68 1.28 -0.89 0.00 2.04 -0.57 -3.41 117.51 116.65 1sb0 h ILE 26 Ca 0.27 -1.59 0.01 0.00 1.00 0.00 0.00 64.86 64.55 1sb0 h ILE 26 Cb 0.11 1.52 -0.20 0.00 -0.74 0.00 0.00 36.82 37.52 1sb0 h ILE 26 CO -0.15 0.52 -0.36 0.12 0.00 0.00 0.00 178.15 178.28 1sb0 s PHE 27 N -4.29 -1.61 -0.76 1.37 5.36 0.11 -5.07 117.98 113.10 1sb0 s PHE 27 Ca -0.11 0.61 -0.25 0.00 -0.96 0.00 0.00 56.93 56.22 1sb0 s PHE 27 Cb 0.10 0.28 -0.16 0.00 -0.34 0.00 0.00 43.02 42.90 1sb0 s PHE 27 CO 0.87 -1.01 2.46 -2.30 -1.46 0.00 0.00 175.22 173.78 1sb0 n PRO 28 N 4.86 0.52 -3.15 10.12 -0.02 -0.52 -3.98 135.00 142.84 1sb0 n PRO 28 Ca 0.08 -0.18 -0.39 0.00 -2.02 0.00 0.00 63.50 60.99 1sb0 n PRO 28 Cb 0.56 -2.65 -0.06 0.00 -0.02 0.00 0.00 33.50 31.34 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 10.26 4.81 0.07 3.45 2.01 -1.26 -5.00 115.64 129.97 1sb0 s THR 29 Ca 1.12 1.37 -0.22 0.00 0.31 0.00 0.00 61.69 64.26 1sb0 s THR 29 Cb -0.55 -3.99 -0.14 0.00 0.01 0.00 0.00 72.50 67.84 1sb0 s THR 29 CO 0.33 0.43 1.64 1.55 -0.69 0.00 0.00 174.62 177.87 1sb0 h PRO 30 N 5.41 0.10 -3.57 4.92 0.13 -1.97 -3.45 132.00 133.56 1sb0 h PRO 30 Ca -0.46 -0.01 -0.20 0.00 -0.87 0.00 0.00 66.00 64.46 1sb0 h PRO 30 Cb 1.20 -0.02 -0.26 0.00 0.13 0.00 0.00 31.00 32.06 1sb0 h PRO 30 CO 0.69 0.19 -0.62 0.34 -0.23 0.00 0.00 178.00 178.37 1sb0 s ASP 31 N -5.39 -0.05 0.30 1.44 -1.08 -1.26 -5.05 116.67 105.57 1sb0 s ASP 31 Ca -0.14 0.08 0.00 0.00 -0.52 0.00 0.00 52.55 51.98 1sb0 s ASP 31 Cb 0.06 0.17 0.71 0.00 -1.46 0.00 0.00 42.92 42.39 1sb0 s ASP 31 CO 0.68 -0.08 1.58 -0.65 0.52 0.00 0.00 175.17 177.21 1sb0 h PRO 32 N 5.76 0.02 -0.96 4.34 0.11 -2.03 0.16 132.00 139.40 1sb0 h PRO 32 Ca -0.26 -0.00 0.17 0.00 0.11 0.00 0.00 66.00 66.02 1sb0 h PRO 32 Cb 1.20 -0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.22 1sb0 h PRO 32 CO 0.45 0.01 0.61 0.00 -0.21 0.00 0.00 178.00 178.86 1sb0 h ALA 33 N 1.96 1.77 0.00 -0.75 0.00 -2.00 -0.04 119.26 120.20 1sb0 h ALA 33 Ca 0.58 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.53 1sb0 h ALA 33 Cb 1.16 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1sb0 h ALA 33 CO -0.91 -0.07 0.00 0.00 0.00 0.00 0.00 179.25 178.27 1sb0 h ALA 34 N 1.60 1.00 0.00 0.00 0.00 -1.08 -0.52 119.26 120.26 1sb0 h ALA 34 Ca 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.42 1sb0 h ALA 34 Cb 0.81 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1sb0 h ALA 34 CO -0.28 0.00 -0.03 -0.07 0.00 0.00 0.00 179.25 178.87 1sb0 h LEU 35 N 0.00 0.00 -4.02 0.00 3.38 -1.05 -3.30 115.31 110.32 1sb0 h LEU 35 Ca 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1sb0 h LEU 35 Cb 0.16 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 1sb0 h LEU 35 CO 0.00 0.03 -0.30 0.29 0.09 0.00 0.00 178.44 178.55 1sb0 n LYS 36 N -4.09 1.78 -4.32 1.13 5.02 -0.20 -4.04 118.16 113.43 1sb0 n LYS 36 Ca -0.03 -0.86 -0.20 0.00 -2.02 0.00 0.00 58.31 55.20 1sb0 n LYS 36 Cb 0.12 -1.90 -0.13 0.00 -0.02 0.00 0.00 35.03 33.10 1sb0 n LYS 36 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1sb0 s ASP 37 N 2.07 1.80 0.20 4.39 2.15 -1.25 -5.03 116.67 121.01 1sb0 s ASP 37 Ca 0.58 -0.52 -0.12 0.00 0.43 0.00 0.00 52.55 52.92 1sb0 s ASP 37 Cb 0.28 -0.10 0.24 0.00 -0.30 0.00 0.00 42.92 43.04 1sb0 s ASP 37 CO 0.00 0.02 1.69 0.03 -0.17 0.00 0.00 175.17 176.74 1sb0 h ARG 38 N 4.68 0.18 0.58 4.34 -0.00 -1.93 0.77 114.38 123.00 1sb0 h ARG 38 Ca -0.40 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.98 59.04 1sb0 h ARG 38 Cb 1.18 -0.04 0.01 0.00 0.00 0.00 0.00 29.97 31.12 1sb0 h ARG 38 CO 0.42 0.12 -0.28 -0.09 0.00 0.00 0.00 179.97 180.14 1sb0 h ARG 39 N 0.18 -0.75 -0.99 0.04 2.43 -1.97 -3.32 114.38 110.01 1sb0 h ARG 39 Ca 0.29 0.05 0.19 0.00 -0.81 0.00 0.00 59.98 59.70 1sb0 h ARG 39 Cb 0.43 0.17 -0.10 0.00 -0.42 0.00 0.00 29.97 30.05 1sb0 h ARG 39 CO -0.42 -0.44 0.61 0.52 -1.51 0.00 0.00 179.97 178.74 1sb0 h MET 40 N -1.05 0.69 -0.97 0.20 2.86 -1.64 0.95 114.93 115.96 1sb0 h MET 40 Ca -0.08 -0.04 0.35 0.00 -2.06 0.00 0.00 59.70 57.87 1sb0 h MET 40 Cb 0.66 -0.15 -0.18 0.00 0.06 0.00 0.00 31.60 31.98 1sb0 h MET 40 CO 0.13 0.45 0.31 -1.91 1.06 0.00 0.00 176.91 176.95 1sb0 n GLU 41 N -4.71 -0.07 -0.06 1.72 0.00 0.19 -0.59 120.64 117.13 1sb0 n GLU 41 Ca 0.23 1.39 -0.12 0.00 0.00 0.00 0.00 57.16 58.66 1sb0 n GLU 41 Cb 0.59 -2.37 -0.06 0.00 0.00 0.00 0.00 31.44 29.61 1sb0 n GLU 41 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 1sb0 h ASN 42 N 0.00 0.30 -0.35 4.31 2.35 -0.97 0.15 115.58 121.36 1sb0 h ASN 42 Ca 0.72 -0.30 -0.02 0.00 -0.55 0.00 0.00 56.30 56.15 1sb0 h ASN 42 Cb 1.77 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 40.04 1sb0 h ASN 42 CO -0.82 0.53 0.13 -0.07 -1.65 0.00 0.00 177.43 175.55 1sb0 h LEU 43 N 0.06 0.50 -0.15 1.61 4.07 -0.98 0.63 115.31 121.05 1sb0 h LEU 43 Ca 0.05 -0.18 0.05 0.00 0.08 0.00 0.00 57.88 57.88 1sb0 h LEU 43 Cb 0.37 -0.13 -0.06 0.00 1.08 0.00 0.00 40.66 41.92 1sb0 h LEU 43 CO 0.01 0.54 -0.22 0.58 -1.08 0.00 0.00 178.44 178.27 1sb0 h VAL 44 N 0.42 0.45 -0.03 1.22 2.07 -0.75 0.90 116.25 120.53 1sb0 h VAL 44 Ca 0.12 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.66 1sb0 h VAL 44 Cb 0.21 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1sb0 h VAL 44 CO -0.01 0.00 -0.14 0.00 0.02 0.00 0.00 177.57 177.44 1sb0 h ALA 45 N 0.72 -0.14 -0.32 1.67 0.00 -0.35 0.13 119.26 120.97 1sb0 h ALA 45 Ca 0.11 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1sb0 h ALA 45 Cb 0.43 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 1sb0 h ALA 45 CO -0.31 -0.63 -0.07 -0.92 0.00 0.00 0.00 179.25 177.32 1sb0 h TYR 46 N -0.22 -0.16 -0.40 0.00 5.03 -0.60 0.94 116.97 121.56 1sb0 h TYR 46 Ca 0.06 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.40 1sb0 h TYR 46 Cb 0.30 0.12 -0.02 0.00 1.55 0.00 0.00 36.73 38.68 1sb0 h TYR 46 CO -0.21 -0.13 0.26 0.00 -1.32 0.00 0.00 178.16 176.75 1sb0 h ALA 47 N 1.32 0.50 -0.09 1.82 0.00 -0.32 0.12 119.26 122.60 1sb0 h ALA 47 Ca 0.15 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1sb0 h ALA 47 Cb 0.23 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1sb0 h ALA 47 CO -0.32 -0.03 -0.04 0.87 0.00 0.00 0.00 179.25 179.72 1sb0 h LYS 48 N 0.53 -0.03 0.19 0.00 1.57 -0.35 0.64 116.57 119.12 1sb0 h LYS 48 Ca 0.14 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1sb0 h LYS 48 Cb -0.05 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 1sb0 h LYS 48 CO -0.03 -0.02 -0.32 0.87 -0.57 0.00 0.00 179.45 179.38 1sb0 h LYS 49 N -0.03 -0.57 -0.26 3.15 1.57 -0.42 0.25 116.57 120.27 1sb0 h LYS 49 Ca 0.05 0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1sb0 h LYS 49 Cb 0.11 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1sb0 h LYS 49 CO -0.11 -0.38 0.14 -0.24 -0.57 0.00 0.00 179.45 178.29 1sb0 h VAL 50 N -0.59 1.12 -0.47 0.50 3.04 -0.66 -0.00 116.25 119.19 1sb0 h VAL 50 Ca 0.01 -0.32 -0.01 0.00 -1.01 0.00 0.00 66.70 65.37 1sb0 h VAL 50 Cb 0.59 0.87 -0.02 0.00 -2.01 0.00 0.00 31.29 30.72 1sb0 h VAL 50 CO -0.14 0.12 0.26 -0.08 -1.01 0.00 0.00 177.57 176.72 1sb0 h GLU 51 N 0.30 0.64 0.10 4.17 4.81 -0.75 0.30 114.58 124.14 1sb0 h GLU 51 Ca 0.09 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1sb0 h GLU 51 Cb 0.07 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 1sb0 h GLU 51 CO -0.01 0.46 -0.31 0.78 -0.73 0.00 0.00 179.01 179.20 1sb0 h GLY 52 N 0.71 -0.58 0.12 1.92 0.00 0.47 0.29 103.07 106.00 1sb0 h GLY 52 Ca 0.17 0.37 0.11 0.00 0.00 0.00 0.00 47.33 47.98 1sb0 h GLY 52 CO -0.03 -0.24 0.06 -1.80 0.00 0.00 0.00 176.54 174.53 1sb0 h ASP 53 N -0.52 -0.12 -0.65 0.19 1.82 0.03 0.17 116.42 117.34 1sb0 h ASP 53 Ca 0.04 0.12 0.03 0.00 -0.39 0.00 0.00 57.03 56.83 1sb0 h ASP 53 Cb 0.56 0.20 -0.04 0.00 0.68 0.00 0.00 39.33 40.73 1sb0 h ASP 53 CO -0.20 -0.04 0.40 0.24 -1.61 0.00 0.00 179.24 178.03 1sb0 h MET 54 N 0.18 0.77 -0.77 0.28 2.86 -0.50 0.82 114.93 118.58 1sb0 h MET 54 Ca 0.30 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.86 1sb0 h MET 54 Cb 0.46 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 1sb0 h MET 54 CO -0.44 0.51 0.33 -0.92 1.06 0.00 0.00 176.91 177.45 1sb0 h TYR 55 N 0.79 1.14 -0.18 -0.22 3.20 0.11 0.16 116.97 121.97 1sb0 h TYR 55 Ca 0.26 -0.07 -0.05 0.00 3.14 0.00 0.00 58.73 62.01 1sb0 h TYR 55 Cb 0.02 -0.35 -0.00 0.00 1.54 0.00 0.00 36.73 37.94 1sb0 h TYR 55 CO -0.05 0.84 -0.10 0.93 -1.64 0.00 0.00 178.16 178.14 1sb0 h GLU 56 N 1.11 0.39 0.17 1.82 4.39 -0.73 -3.37 114.58 118.36 1sb0 h GLU 56 Ca 0.26 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 1sb0 h GLU 56 Cb 0.17 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1sb0 h GLU 56 CO -0.03 0.70 -0.08 1.03 -1.16 0.00 0.00 179.01 179.47 1sb0 h SER 57 N 0.07 -0.20 -2.46 1.42 0.87 -0.41 -3.44 113.55 109.41 1sb0 h SER 57 Ca 0.04 -0.31 -0.53 0.00 -1.23 0.00 0.00 61.79 59.75 1sb0 h SER 57 Cb 0.59 0.05 0.04 0.00 -0.44 0.00 0.00 62.40 62.64 1sb0 h SER 57 CO 0.03 0.26 1.14 0.00 -0.53 0.00 0.00 176.83 177.73 1sb0 n ALA 58 N -2.46 2.04 -1.10 6.23 0.00 0.54 -4.88 120.51 120.88 1sb0 n ALA 58 Ca -0.09 0.29 -0.00 0.00 0.00 0.00 0.00 53.44 53.64 1sb0 n ALA 58 Cb 0.26 -2.62 0.28 0.00 0.00 0.00 0.00 19.45 17.37 1sb0 n ALA 58 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1sb0 n ASN 59 N 6.11 4.17 -3.46 0.00 3.02 -1.26 -4.89 115.26 118.95 1sb0 n ASN 59 Ca 0.19 -3.24 -0.12 0.00 -0.03 0.00 0.00 54.58 51.37 1sb0 n ASN 59 Cb 0.38 -0.66 -0.03 0.00 -0.61 0.00 0.00 39.78 38.86 1sb0 n ASN 59 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1sb0 s SER 60 N -1.59 -0.54 0.08 6.41 1.04 -1.26 -4.91 113.70 112.94 1sb0 s SER 60 Ca 0.49 0.14 -0.20 0.00 0.48 0.00 0.00 55.95 56.86 1sb0 s SER 60 Cb 0.40 0.54 -0.10 0.00 0.10 0.00 0.00 66.02 66.97 1sb0 s SER 60 CO 0.10 -0.82 1.58 -0.09 0.98 0.00 0.00 173.24 174.99 1sb0 h ARG 61 N 2.20 0.30 -0.65 4.02 2.43 -1.92 0.12 114.38 120.89 1sb0 h ARG 61 Ca -0.30 -0.07 0.12 0.00 -0.81 0.00 0.00 59.98 58.92 1sb0 h ARG 61 Cb 1.26 -0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 30.69 1sb0 h ARG 61 CO 0.37 0.42 0.21 0.38 -1.51 0.00 0.00 179.97 179.83 1sb0 h ASP 62 N 0.13 0.15 -0.13 -3.80 2.03 -1.99 0.58 116.42 113.40 1sb0 h ASP 62 Ca 0.06 0.10 0.00 0.00 -0.73 0.00 0.00 57.03 56.46 1sb0 h ASP 62 Cb 0.25 0.11 -0.01 0.00 -0.83 0.00 0.00 39.33 38.85 1sb0 h ASP 62 CO -0.00 0.07 0.08 -0.08 -1.03 0.00 0.00 179.24 178.28 1sb0 h GLU 63 N 0.36 0.17 -0.44 4.15 4.57 -1.86 0.84 114.58 122.36 1sb0 h GLU 63 Ca 0.34 -0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.59 1sb0 h GLU 63 Cb 0.49 -0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 28.97 1sb0 h GLU 63 CO -0.37 0.14 0.01 -0.92 -1.18 0.00 0.00 179.01 176.68 1sb0 h TYR 64 N 0.15 -0.01 0.07 0.92 3.20 -0.03 0.15 116.97 121.41 1sb0 h TYR 64 Ca 0.05 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.96 1sb0 h TYR 64 Cb 0.01 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 1sb0 h TYR 64 CO -0.06 -0.09 -0.10 1.88 -1.64 0.00 0.00 178.16 178.15 1sb0 h TYR 65 N 0.12 -0.25 0.37 -3.82 0.05 -0.77 -2.25 116.97 110.42 1sb0 h TYR 65 Ca 0.22 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.00 1sb0 h TYR 65 Cb 0.32 0.10 -0.03 0.00 1.01 0.00 0.00 36.73 38.13 1sb0 h TYR 65 CO -0.28 -0.15 -0.49 1.25 -1.05 0.00 0.00 178.16 177.43 1sb0 h HIS 66 N -0.21 -1.37 -0.07 4.88 2.76 0.70 0.13 115.15 121.97 1sb0 h HIS 66 Ca 0.01 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.12 1sb0 h HIS 66 Cb 0.21 0.55 -0.01 0.00 1.55 0.00 0.00 27.41 29.71 1sb0 h HIS 66 CO -0.13 -0.62 -0.33 1.37 -1.30 0.00 0.00 177.93 176.93 1sb0 h LEU 67 N -0.89 0.14 0.03 0.26 8.10 -0.85 0.15 115.31 122.25 1sb0 h LEU 67 Ca -0.04 -0.04 -0.00 0.00 0.11 0.00 0.00 57.88 57.90 1sb0 h LEU 67 Cb 0.80 -0.04 0.00 0.00 -0.44 0.00 0.00 40.66 40.98 1sb0 h LEU 67 CO -0.12 0.46 -0.01 -0.07 -4.11 0.00 0.00 178.44 174.58 1sb0 h LEU 68 N 0.12 -0.03 -0.42 0.17 3.38 -1.22 0.12 115.31 117.42 1sb0 h LEU 68 Ca 0.02 -0.27 0.06 0.00 0.09 0.00 0.00 57.88 57.77 1sb0 h LEU 68 Cb 0.64 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.35 1sb0 h LEU 68 CO 0.05 0.26 0.11 0.00 0.09 0.00 0.00 178.44 178.95 1sb0 h ALA 69 N 0.63 0.48 -0.65 1.53 0.00 -0.44 0.45 119.26 121.25 1sb0 h ALA 69 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1sb0 h ALA 69 Cb 0.31 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1sb0 h ALA 69 CO 0.01 -0.29 0.42 1.49 0.00 0.00 0.00 179.25 180.88 1sb0 h GLU 70 N 0.26 0.87 -0.28 0.00 4.57 -0.66 0.12 114.58 119.45 1sb0 h GLU 70 Ca 0.20 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.34 1sb0 h GLU 70 Cb 0.22 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 1sb0 h GLU 70 CO -0.24 0.59 0.14 -0.22 -1.18 0.00 0.00 179.01 178.10 1sb0 h LYS 71 N 0.89 0.28 -0.12 1.92 1.63 0.05 0.15 116.57 121.37 1sb0 h LYS 71 Ca 0.24 -0.02 0.04 0.00 -0.85 0.00 0.00 60.65 60.06 1sb0 h LYS 71 Cb -0.07 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.45 1sb0 h LYS 71 CO -0.05 0.19 -0.13 0.82 -3.45 0.00 0.00 179.45 176.82 1sb0 h ILE 72 N 0.29 0.64 -0.28 2.00 2.04 -0.52 0.77 117.51 122.45 1sb0 h ILE 72 Ca 0.12 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.04 1sb0 h ILE 72 Cb 0.04 0.64 -0.07 0.00 -0.74 0.00 0.00 36.82 36.69 1sb0 h ILE 72 CO -0.08 0.00 -0.19 0.22 0.00 0.00 0.00 178.15 178.10 1sb0 h TYR 73 N -0.17 -0.47 0.51 1.37 5.03 -0.27 0.61 116.97 123.58 1sb0 h TYR 73 Ca 0.09 0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.42 1sb0 h TYR 73 Cb 0.29 0.25 -0.02 0.00 1.55 0.00 0.00 36.73 38.80 1sb0 h TYR 73 CO -0.25 -0.26 -0.49 0.87 -1.32 0.00 0.00 178.16 176.71 1sb0 h LYS 74 N -0.16 -0.96 -0.51 1.82 1.79 -0.48 0.63 116.57 118.70 1sb0 h LYS 74 Ca 0.15 0.07 0.05 0.00 -2.18 0.00 0.00 60.65 58.74 1sb0 h LYS 74 Cb 0.39 0.22 -0.08 0.00 -1.58 0.00 0.00 32.23 31.18 1sb0 h LYS 74 CO -0.38 -0.64 -0.49 0.82 -1.08 0.00 0.00 179.45 177.69 1sb0 h ILE 75 N -0.99 0.00 0.03 1.86 2.04 -0.29 0.21 117.51 120.36 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 0.86 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 1sb0 h ILE 75 CO -0.05 0.00 -0.22 1.56 0.00 0.00 0.00 178.15 179.43 1sb0 h GLN 76 N -0.23 -0.35 0.12 2.37 1.08 -0.83 0.94 115.11 118.20 1sb0 h GLN 76 Ca 0.09 0.02 0.02 0.00 -1.45 0.00 0.00 58.65 57.33 1sb0 h GLN 76 Cb 0.46 0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.93 1sb0 h GLN 76 CO -0.60 -0.24 -0.27 0.87 -0.95 0.00 0.00 178.83 177.64 1sb0 h LYS 77 N -0.37 -0.46 0.03 1.46 1.79 -0.18 0.37 116.57 119.21 1sb0 h LYS 77 Ca 0.05 0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.58 1sb0 h LYS 77 Cb 0.43 0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 31.16 1sb0 h LYS 77 CO -0.19 -0.31 -0.20 0.93 -1.08 0.00 0.00 179.45 178.60 1sb0 h GLU 78 N -0.48 -0.33 0.00 3.15 4.39 -0.49 -3.10 114.58 117.72 1sb0 h GLU 78 Ca 0.03 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1sb0 h GLU 78 Cb 0.51 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1sb0 h GLU 78 CO -0.16 -0.22 0.00 1.25 -1.16 0.00 0.00 179.01 178.73 1sb0 h LEU 79 N -0.34 0.00 -7.42 1.33 5.85 -0.53 -3.47 115.31 110.73 1sb0 h LEU 79 Ca 0.05 0.00 -0.68 0.00 0.84 0.00 0.00 57.88 58.09 1sb0 h LEU 79 Cb 0.40 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 1sb0 h LEU 79 CO -0.16 0.00 1.28 1.21 -0.34 0.00 0.00 178.44 180.42 1sb0 n GLU 80 N -2.56 0.00 0.03 1.25 4.07 0.13 -4.85 120.64 118.70 1sb0 n GLU 80 Ca 0.04 0.00 -0.00 0.00 -0.06 0.00 0.00 57.16 57.14 1sb0 n GLU 80 Cb 0.41 -1.39 0.30 0.00 -0.06 0.00 0.00 31.44 30.70 1sb0 n GLU 80 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1sb0 h GLU 81 N 8.71 0.46 -0.59 5.31 3.07 -1.91 -3.28 114.58 126.34 1sb0 h GLU 81 Ca -0.09 -0.11 0.11 0.00 -0.50 0.00 0.00 59.36 58.77 1sb0 h GLU 81 Cb 1.30 -0.06 -0.08 0.00 -0.84 0.00 0.00 28.75 29.07 1sb0 h GLU 81 CO 1.05 0.54 0.13 0.87 -1.40 0.00 0.00 179.01 180.20 1sb0 h LYS 82 N 0.44 0.26 -0.02 2.33 1.79 -1.95 0.18 116.57 119.59 1sb0 h LYS 82 Ca 0.09 -0.02 -0.08 0.00 -2.18 0.00 0.00 60.65 58.47 1sb0 h LYS 82 Cb 0.39 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 1sb0 h LYS 82 CO 0.02 0.17 -0.34 0.07 -1.08 0.00 0.00 179.45 178.29 1sb0 h ARG 83 N 0.27 0.03 0.02 3.15 0.11 -1.97 -2.96 114.38 113.03 1sb0 h ARG 83 Ca 0.31 -0.01 -0.21 0.00 0.10 0.00 0.00 59.98 60.17 1sb0 h ARG 83 Cb 0.45 -0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.50 1sb0 h ARG 83 CO -0.39 0.37 -0.98 0.00 0.10 0.00 0.00 179.97 179.07 1sb0 h ARG 84 N 0.03 0.05 -3.50 0.08 3.08 -1.08 -3.40 114.38 109.64 1sb0 h ARG 84 Ca 0.00 -0.08 -0.48 0.00 0.07 0.00 0.00 59.98 59.50 1sb0 h ARG 84 Cb 0.62 0.03 0.02 0.00 0.08 0.00 0.00 29.97 30.72 1sb0 h ARG 84 CO 0.05 0.99 2.84 0.43 -1.07 0.00 0.00 179.97 183.20 1sb0 n SER 85 N -3.44 5.34 -4.89 7.04 7.64 0.40 -4.91 113.62 120.78 1sb0 n SER 85 Ca -0.01 -2.43 -0.29 0.00 1.01 0.00 0.00 58.87 57.15 1sb0 n SER 85 Cb 0.91 -1.21 -0.02 0.00 -1.01 0.00 0.00 64.21 62.87 1sb0 n SER 85 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1sb0 s ARG 86 N 3.35 3.67 0.00 1.43 1.81 -1.26 -5.02 118.95 122.93 1sb0 s ARG 86 Ca 0.47 0.22 0.04 0.00 -1.72 0.00 0.00 55.73 54.74 1sb0 s ARG 86 Cb 0.12 -2.48 0.22 0.00 -0.45 0.00 0.00 34.95 32.36 1sb0 s ARG 86 CO -0.02 0.02 0.70 -0.11 -0.68 0.00 0.00 175.30 175.21