#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sq8 s LEU 1 N 0.00 2.97 0.05 3.17 1.02 -1.26 -4.91 118.68 119.72 1sq8 s LEU 1 Ca 0.00 0.16 -0.28 0.00 0.02 0.00 0.00 54.13 54.03 1sq8 s LEU 1 Cb 0.00 -2.78 -0.17 0.00 0.02 0.00 0.00 46.19 43.26 1sq8 s LEU 1 CO 0.00 -1.60 1.53 0.24 0.02 0.00 0.00 176.35 176.54 1sq8 h MET 2 N -0.47 -0.46 -0.10 1.70 2.86 -1.92 -1.28 114.93 115.27 1sq8 h MET 2 Ca -0.42 0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.29 1sq8 h MET 2 Cb 1.30 0.10 -0.06 0.00 0.06 0.00 0.00 31.60 33.00 1sq8 h MET 2 CO 0.53 -0.23 -0.44 0.78 1.06 0.00 0.00 176.91 178.60 1sq8 h GLY 3 N -0.59 -0.79 0.88 8.32 0.00 -1.76 0.15 103.07 109.27 1sq8 h GLY 3 Ca -0.05 0.55 0.03 0.00 0.00 0.00 0.00 47.33 47.86 1sq8 h GLY 3 CO 0.08 -0.23 0.57 0.83 0.00 0.00 0.00 176.54 177.80 1sq8 h GLU 4 N -0.53 1.08 -0.20 4.80 3.07 -1.78 0.11 114.58 121.13 1sq8 h GLU 4 Ca 0.06 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1sq8 h GLU 4 Cb 0.65 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 1sq8 h GLU 4 CO -0.39 0.72 0.10 -0.09 -1.40 0.00 0.00 179.01 177.94 1sq8 h ARG 5 N 1.12 0.29 -0.12 2.33 2.43 -0.59 0.10 114.38 119.94 1sq8 h ARG 5 Ca 0.35 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.49 1sq8 h ARG 5 Cb 0.01 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1sq8 h ARG 5 CO -0.12 0.32 0.06 0.82 -1.51 0.00 0.00 179.97 179.54 1sq8 h ILE 6 N 0.20 1.01 -0.34 1.20 2.04 -0.35 -1.37 117.51 119.89 1sq8 h ILE 6 Ca 0.07 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 1sq8 h ILE 6 Cb 0.12 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1sq8 h ILE 6 CO -0.01 0.02 0.21 -0.09 0.00 0.00 0.00 178.15 178.29 1sq8 h ARG 7 N 0.13 0.47 -0.36 2.37 1.12 -0.82 -1.47 114.38 115.82 1sq8 h ARG 7 Ca 0.05 -0.04 -0.05 0.00 -1.11 0.00 0.00 59.98 58.83 1sq8 h ARG 7 Cb 0.00 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 29.85 1sq8 h ARG 7 CO -0.03 0.35 0.04 0.00 -3.11 0.00 0.00 179.97 177.23 1sq8 h ALA 8 N 1.09 0.48 -0.20 2.80 0.00 -0.84 -1.44 119.26 121.15 1sq8 h ALA 8 Ca 0.12 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1sq8 h ALA 8 Cb 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1sq8 h ALA 8 CO -0.02 0.20 -0.40 -0.09 0.00 0.00 0.00 179.25 178.93 1sq8 h ARG 9 N 0.44 0.46 0.05 0.00 9.65 -1.16 0.13 114.38 123.94 1sq8 h ARG 9 Ca 0.11 -0.23 0.02 0.00 -1.10 0.00 0.00 59.98 58.78 1sq8 h ARG 9 Cb 0.38 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.93 1sq8 h ARG 9 CO 0.01 0.79 -0.17 -0.09 2.80 0.00 0.00 179.97 183.30 1sq8 h ARG 10 N 0.38 -0.30 -0.46 0.20 2.43 -1.01 -1.32 114.38 114.30 1sq8 h ARG 10 Ca 0.03 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1sq8 h ARG 10 Cb 0.87 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.46 1sq8 h ARG 10 CO 0.07 -0.20 0.31 0.82 -1.51 0.00 0.00 179.97 179.46 1sq8 h ILE 11 N -0.31 1.06 0.00 1.20 1.08 -1.05 -0.16 117.51 119.34 1sq8 h ILE 11 Ca 0.04 -0.19 -0.04 0.00 -0.39 0.00 0.00 64.86 64.28 1sq8 h ILE 11 Cb 0.35 0.47 -0.01 0.00 -3.07 0.00 0.00 36.82 34.57 1sq8 h ILE 11 CO -0.13 0.10 -0.19 -0.61 -0.69 0.00 0.00 178.15 176.63 1sq8 h GLN 12 N 0.54 0.00 0.00 2.37 4.15 -0.10 -0.15 115.11 121.93 1sq8 h GLN 12 Ca 0.18 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.60 1sq8 h GLN 12 Cb 0.06 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.75 1sq8 h GLN 12 CO -0.04 0.19 -0.25 1.25 -1.93 0.00 0.00 178.83 178.05 1sq8 h LEU 13 N 0.00 0.00 0.24 -2.39 5.85 -0.04 -3.49 115.31 115.48 1sq8 h LEU 13 Ca -0.00 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 1sq8 h LEU 13 Cb 0.47 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 1sq8 h LEU 13 CO 0.02 0.01 -0.07 0.61 -0.34 0.00 0.00 178.44 178.68 1sq8 n GLY 14 N 1.19 0.31 3.42 3.75 0.00 -0.07 -5.05 105.19 108.74 1sq8 n GLY 14 Ca 0.04 -0.76 -0.21 0.00 0.00 0.00 0.00 46.02 45.09 1sq8 n GLY 14 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1sq8 s LEU 15 N -0.87 2.48 0.76 0.99 2.34 -1.23 -5.02 118.68 118.12 1sq8 s LEU 15 Ca 0.01 -1.18 -0.09 0.00 0.06 0.00 0.00 54.13 52.93 1sq8 s LEU 15 Cb -0.00 -0.63 0.08 0.00 -0.56 0.00 0.00 46.19 45.08 1sq8 s LEU 15 CO 0.01 -0.33 1.09 0.20 -1.06 0.00 0.00 176.35 176.25 1sq8 s ASN 16 N -3.43 4.56 0.13 1.48 0.01 -1.26 -4.42 114.94 112.01 1sq8 s ASN 16 Ca 0.29 0.49 -0.26 0.00 -0.71 0.00 0.00 52.86 52.67 1sq8 s ASN 16 Cb 0.03 -1.03 -0.03 0.00 0.41 0.00 0.00 41.25 40.63 1sq8 s ASN 16 CO 0.11 -1.80 1.61 1.56 -1.51 0.00 0.00 177.10 177.08 1sq8 h GLN 17 N -0.82 -0.40 -0.74 -0.60 4.20 -1.98 -1.80 115.11 112.98 1sq8 h GLN 17 Ca -0.44 0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.23 1sq8 h GLN 17 Cb 1.31 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 29.15 1sq8 h GLN 17 CO 0.59 -0.26 0.22 0.00 -0.67 0.00 0.00 178.83 178.71 1sq8 h ALA 18 N 0.39 0.97 -0.20 3.87 0.00 -1.94 0.20 119.26 122.55 1sq8 h ALA 18 Ca 0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1sq8 h ALA 18 Cb 0.55 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1sq8 h ALA 18 CO -0.33 0.67 0.09 0.93 0.00 0.00 0.00 179.25 180.61 1sq8 h GLU 19 N 1.11 0.30 0.25 0.00 5.08 -1.94 0.18 114.58 119.56 1sq8 h GLU 19 Ca 0.24 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1sq8 h GLU 19 Cb 0.32 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1sq8 h GLU 19 CO -0.01 0.34 -0.33 1.25 -1.00 0.00 0.00 179.01 179.26 1sq8 h LEU 20 N 0.19 -0.91 -0.42 1.33 5.85 -0.83 -2.38 115.31 118.15 1sq8 h LEU 20 Ca 0.07 0.09 0.09 0.00 0.84 0.00 0.00 57.88 58.96 1sq8 h LEU 20 Cb 0.14 0.32 -0.09 0.00 0.37 0.00 0.00 40.66 41.40 1sq8 h LEU 20 CO -0.01 -0.44 -0.26 0.00 -0.34 0.00 0.00 178.44 177.39 1sq8 h ALA 21 N -0.07 -0.01 -0.07 1.25 0.00 -0.38 -0.89 119.26 119.09 1sq8 h ALA 21 Ca -0.00 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1sq8 h ALA 21 Cb 0.60 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1sq8 h ALA 21 CO -0.11 -0.63 -0.09 0.37 0.00 0.00 0.00 179.25 178.79 1sq8 h GLN 22 N -0.18 -0.12 -0.48 0.00 5.75 -0.55 0.22 115.11 119.74 1sq8 h GLN 22 Ca 0.20 0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.65 1sq8 h GLN 22 Cb 0.49 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.05 1sq8 h GLN 22 CO -0.53 -0.08 0.09 1.57 -2.65 0.00 0.00 178.83 177.23 1sq8 h LYS 23 N -0.13 0.73 -0.04 1.69 2.10 -0.88 -2.66 116.57 117.38 1sq8 h LYS 23 Ca 0.06 -0.15 -0.25 0.00 -2.00 0.00 0.00 60.65 58.31 1sq8 h LYS 23 Cb 0.21 -0.11 0.02 0.00 -0.90 0.00 0.00 32.23 31.45 1sq8 h LYS 23 CO -0.14 0.69 -0.96 0.28 -2.00 0.00 0.00 179.45 177.31 1sq8 h VAL 24 N 0.71 1.29 0.00 0.07 2.07 -0.47 -3.48 116.25 116.44 1sq8 h VAL 24 Ca 0.15 -2.20 0.00 0.00 0.82 0.00 0.00 66.70 65.48 1sq8 h VAL 24 Cb 0.31 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1sq8 h VAL 24 CO 0.00 0.68 0.00 0.61 0.02 0.00 0.00 177.57 178.88 1sq8 n GLY 25 N 0.96 1.64 3.90 2.17 0.00 0.68 -5.00 105.19 109.54 1sq8 n GLY 25 Ca -0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 1sq8 n GLY 25 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sq8 s VAL 26 N -2.00 2.43 0.64 1.61 -7.23 -0.72 -5.02 120.40 110.10 1sq8 s VAL 26 Ca 0.00 -1.33 -0.11 0.00 -1.81 0.00 0.00 61.98 58.73 1sq8 s VAL 26 Cb 0.00 -2.76 -0.03 0.00 0.56 0.00 0.00 36.38 34.15 1sq8 s VAL 26 CO 0.00 0.00 1.04 1.51 -0.31 0.00 0.00 175.10 177.34 1sq8 s ASP 27 N -4.22 6.02 0.26 4.85 -4.77 -1.26 -3.99 116.67 113.56 1sq8 s ASP 27 Ca 0.47 1.48 -0.03 0.00 -3.30 0.00 0.00 52.55 51.18 1sq8 s ASP 27 Cb -0.03 -2.48 0.43 0.00 -1.09 0.00 0.00 42.92 39.75 1sq8 s ASP 27 CO 0.28 -1.01 1.84 -0.61 0.70 0.00 0.00 175.17 176.37 1sq8 h GLN 28 N -0.37 0.96 -0.82 2.11 4.15 -1.87 -1.69 115.11 117.57 1sq8 h GLN 28 Ca -0.44 -0.06 0.16 0.00 0.77 0.00 0.00 58.65 59.09 1sq8 h GLN 28 Cb 1.20 -0.22 -0.10 0.00 0.21 0.00 0.00 27.48 28.57 1sq8 h GLN 28 CO 0.61 0.63 0.36 0.37 -1.93 0.00 0.00 178.83 178.87 1sq8 h GLN 29 N 0.99 0.47 0.00 1.69 4.15 -1.96 0.91 115.11 121.36 1sq8 h GLN 29 Ca 0.43 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.79 1sq8 h GLN 29 Cb 0.30 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 27.88 1sq8 h GLN 29 CO -0.22 0.31 -0.13 0.00 -1.93 0.00 0.00 178.83 176.86 1sq8 h ALA 30 N 1.60 1.64 0.01 3.38 0.00 -1.68 0.15 119.26 124.35 1sq8 h ALA 30 Ca 0.47 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 1sq8 h ALA 30 Cb 0.75 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.53 1sq8 h ALA 30 CO -0.43 0.17 -0.41 0.82 0.00 0.00 0.00 179.25 179.40 1sq8 h ILE 31 N 0.00 1.51 -0.20 0.00 1.08 -0.86 -3.14 117.51 115.89 1sq8 h ILE 31 Ca -0.00 -2.05 0.02 0.00 -0.39 0.00 0.00 64.86 62.45 1sq8 h ILE 31 Cb 0.26 2.75 -0.02 0.00 -3.07 0.00 0.00 36.82 36.74 1sq8 h ILE 31 CO 0.02 0.57 0.06 -0.08 -0.69 0.00 0.00 178.15 178.03 1sq8 h GLU 32 N -0.36 0.14 -0.41 2.37 4.57 -0.48 0.05 114.58 120.46 1sq8 h GLU 32 Ca -0.05 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.09 1sq8 h GLU 32 Cb 1.16 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.70 1sq8 h GLU 32 CO 0.08 0.09 0.13 -0.56 -1.18 0.00 0.00 179.01 177.57 1sq8 h GLN 33 N 0.14 0.60 -0.11 1.92 3.07 -0.88 -1.34 115.11 118.51 1sq8 h GLN 33 Ca 0.09 -0.09 -0.17 0.00 0.09 0.00 0.00 58.65 58.57 1sq8 h GLN 33 Cb 0.07 -0.11 -0.01 0.00 0.08 0.00 0.00 27.48 27.52 1sq8 h GLN 33 CO -0.10 0.53 -0.64 -0.07 0.09 0.00 0.00 178.83 178.64 1sq8 h LEU 34 N 0.59 0.48 -0.38 0.06 3.38 -1.19 0.33 115.31 118.59 1sq8 h LEU 34 Ca 0.14 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1sq8 h LEU 34 Cb 0.18 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1sq8 h LEU 34 CO -0.01 0.99 0.16 -0.33 0.09 0.00 0.00 178.44 179.35 1sq8 h GLU 35 N 0.30 0.56 -0.00 1.13 5.08 -0.60 -3.18 114.58 117.87 1sq8 h GLU 35 Ca -0.01 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1sq8 h GLU 35 Cb 1.19 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1sq8 h GLU 35 CO 0.11 0.52 -0.02 0.27 -1.00 0.00 0.00 179.01 178.89 1sq8 n ASN 36 N -4.68 0.42 0.00 1.42 0.23 -0.54 -4.35 115.26 107.75 1sq8 n ASN 36 Ca -0.00 -0.95 0.00 0.00 -0.53 0.00 0.00 54.58 53.10 1sq8 n ASN 36 Cb 0.13 -0.04 0.00 0.00 -2.08 0.00 0.00 39.78 37.79 1sq8 n ASN 36 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1sq8 n GLY 37 N 1.12 0.49 0.09 4.83 0.00 -0.66 -4.97 105.19 106.09 1sq8 n GLY 37 Ca 0.20 -0.55 -0.14 0.00 0.00 0.00 0.00 46.02 45.53 1sq8 n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sq8 h LYS 38 N 0.58 0.17 -6.89 1.61 1.79 -0.65 -3.42 116.57 109.76 1sq8 h LYS 38 Ca 0.00 -0.13 -0.48 0.00 -2.18 0.00 0.00 60.65 57.86 1sq8 h LYS 38 Cb 0.00 0.03 0.04 0.00 -1.58 0.00 0.00 32.23 30.71 1sq8 h LYS 38 CO 0.00 0.78 0.05 0.00 -1.08 0.00 0.00 179.45 179.20 1sq8 s ALA 39 N -3.63 3.48 0.14 3.86 0.00 -1.13 -4.99 121.76 119.49 1sq8 s ALA 39 Ca -0.16 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.08 1sq8 s ALA 39 Cb 0.02 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.69 1sq8 s ALA 39 CO 0.73 -0.45 0.00 1.17 0.00 0.00 0.00 175.76 177.21 1sq8 n LYS 40 N -2.26 0.00 -3.44 0.00 0.00 -1.26 -4.58 118.16 106.61 1sq8 n LYS 40 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 58.31 58.06 1sq8 n LYS 40 Cb 0.56 -0.15 -0.08 0.00 0.00 0.00 0.00 35.03 35.36 1sq8 n LYS 40 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 1sq8 n ARG 41 N -3.18 2.18 -1.51 1.64 1.85 -1.26 -5.03 116.66 111.35 1sq8 n ARG 41 Ca 0.00 -4.44 -0.29 0.00 -1.00 0.00 0.00 57.85 52.12 1sq8 n ARG 41 Cb 0.00 -2.12 0.14 0.00 -1.05 0.00 0.00 32.46 29.44 1sq8 n ARG 41 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1sq8 s PRO 42 N -2.16 1.01 0.26 2.89 0.04 -1.26 -4.93 135.00 130.85 1sq8 s PRO 42 Ca 0.38 0.27 -0.01 0.00 0.04 0.00 0.00 61.00 61.67 1sq8 s PRO 42 Cb 0.13 -1.83 0.55 0.00 0.04 0.00 0.00 34.50 33.39 1sq8 s PRO 42 CO -0.04 -2.28 1.73 0.07 0.04 0.00 0.00 177.00 176.52 1sq8 h ARG 43 N -1.56 0.47 -0.18 4.56 0.11 -2.05 -2.32 114.38 113.42 1sq8 h ARG 43 Ca -0.50 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.55 1sq8 h ARG 43 Cb 1.33 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 32.30 1sq8 h ARG 43 CO 0.60 0.31 0.00 1.97 0.10 0.00 0.00 179.97 182.95 1sq8 n PHE 44 N -4.97 0.24 -0.24 4.08 1.16 -1.26 -4.45 117.46 112.01 1sq8 n PHE 44 Ca 0.17 -0.12 0.04 0.00 -1.87 0.00 0.00 57.45 55.67 1sq8 n PHE 44 Cb 0.48 0.00 0.14 0.00 -1.61 0.00 0.00 39.48 38.49 1sq8 n PHE 44 CO 0.00 0.00 0.00 1.25 -1.87 0.00 0.00 176.76 176.14 1sq8 h LEU 45 N 1.33 -0.24 -1.32 5.98 5.85 -1.77 0.18 115.31 125.31 1sq8 h LEU 45 Ca 0.00 0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 1sq8 h LEU 45 Cb 0.30 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1sq8 h LEU 45 CO 0.00 -0.13 -0.23 1.55 -0.34 0.00 0.00 178.44 179.29 1sq8 h PRO 46 N 0.14 0.17 -0.12 5.25 0.13 -1.87 -0.77 132.00 134.93 1sq8 h PRO 46 Ca 0.38 -0.05 -0.09 0.00 -0.87 0.00 0.00 66.00 65.37 1sq8 h PRO 46 Cb 0.65 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.76 1sq8 h PRO 46 CO -0.58 0.40 -0.30 0.93 -0.23 0.00 0.00 178.00 178.22 1sq8 h GLU 47 N 0.15 0.41 0.12 0.86 5.08 -1.35 0.64 114.58 120.49 1sq8 h GLU 47 Ca 0.03 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1sq8 h GLU 47 Cb 0.50 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1sq8 h GLU 47 CO 0.03 0.89 -0.12 1.25 -1.00 0.00 0.00 179.01 180.07 1sq8 h LEU 48 N -0.01 -0.31 -0.96 1.33 6.46 -0.62 0.59 115.31 121.79 1sq8 h LEU 48 Ca -0.00 0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 57.76 1sq8 h LEU 48 Cb 0.90 0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.90 1sq8 h LEU 48 CO 0.06 -0.18 0.37 0.00 -0.62 0.00 0.00 178.44 178.07 1sq8 h ALA 49 N 0.60 1.18 0.28 1.25 0.00 -1.10 0.36 119.26 121.84 1sq8 h ALA 49 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1sq8 h ALA 49 Cb 0.25 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1sq8 h ALA 49 CO -0.03 0.62 -0.32 0.00 0.00 0.00 0.00 179.25 179.52 1sq8 h ARG 50 N 1.10 -0.62 -0.61 0.00 3.08 -0.55 0.18 114.38 116.96 1sq8 h ARG 50 Ca 0.27 0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.43 1sq8 h ARG 50 Cb 0.12 0.14 -0.06 0.00 0.08 0.00 0.00 29.97 30.25 1sq8 h ARG 50 CO -0.03 -0.41 0.30 0.00 -1.07 0.00 0.00 179.97 178.76 1sq8 h ALA 51 N -0.09 0.81 -0.19 0.04 0.00 -0.42 -1.16 119.26 118.25 1sq8 h ALA 51 Ca -0.01 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1sq8 h ALA 51 Cb 0.60 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1sq8 h ALA 51 CO -0.09 -0.06 -0.04 -0.07 0.00 0.00 0.00 179.25 178.98 1sq8 h LEU 52 N 0.55 0.27 -0.46 0.00 3.38 -0.06 -3.47 115.31 115.52 1sq8 h LEU 52 Ca 0.29 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1sq8 h LEU 52 Cb 0.25 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1sq8 h LEU 52 CO -0.22 0.36 0.00 0.61 0.09 0.00 0.00 178.44 179.28 1sq8 n GLY 53 N -1.03 0.99 3.27 0.83 0.00 0.52 -4.88 105.19 104.89 1sq8 n GLY 53 Ca -0.00 -0.43 -0.16 0.00 0.00 0.00 0.00 46.02 45.43 1sq8 n GLY 53 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sq8 s VAL 54 N -2.46 0.00 0.63 1.61 -7.23 -0.46 -5.03 120.40 107.45 1sq8 s VAL 54 Ca 0.00 -1.97 -0.11 0.00 -1.81 0.00 0.00 61.98 58.09 1sq8 s VAL 54 Cb 0.00 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 1sq8 s VAL 54 CO 0.00 0.00 1.03 0.00 -0.31 0.00 0.00 175.10 175.82 1sq8 s ALA 55 N -3.73 3.06 0.31 1.32 0.00 -1.26 -3.84 121.76 117.61 1sq8 s ALA 55 Ca 0.39 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.29 1sq8 s ALA 55 Cb 0.04 -3.09 0.49 0.00 0.00 0.00 0.00 23.12 20.56 1sq8 s ALA 55 CO 0.21 -0.74 1.89 0.28 0.00 0.00 0.00 175.76 177.39 1sq8 h VAL 56 N -0.35 1.20 -0.61 0.00 2.07 -1.91 -0.77 116.25 115.88 1sq8 h VAL 56 Ca -0.44 -0.65 0.12 0.00 0.82 0.00 0.00 66.70 66.54 1sq8 h VAL 56 Cb 1.19 0.57 -0.09 0.00 -1.52 0.00 0.00 31.29 31.44 1sq8 h VAL 56 CO 0.61 0.26 0.12 -0.78 0.02 0.00 0.00 177.57 177.80 1sq8 h ASP 57 N 0.78 -0.01 -0.44 0.57 3.58 -1.99 0.22 116.42 119.14 1sq8 h ASP 57 Ca 0.19 0.12 -0.14 0.00 0.42 0.00 0.00 57.03 57.62 1sq8 h ASP 57 Cb 0.18 0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 1sq8 h ASP 57 CO -0.02 -0.00 -0.26 -0.25 -2.88 0.00 0.00 179.24 175.84 1sq8 h TRP 58 N 0.25 1.11 -0.70 0.28 7.01 -1.82 0.61 115.95 122.68 1sq8 h TRP 58 Ca 0.32 -0.29 0.06 0.00 2.11 0.00 0.00 58.89 61.10 1sq8 h TRP 58 Cb 0.49 -0.25 -0.06 0.00 -2.10 0.00 0.00 29.16 27.24 1sq8 h TRP 58 CO -0.26 1.11 0.40 -0.07 -2.79 0.00 0.00 178.44 176.83 1sq8 h LEU 59 N 0.79 0.59 0.26 0.65 3.38 -0.45 0.40 115.31 120.95 1sq8 h LEU 59 Ca 0.09 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1sq8 h LEU 59 Cb 0.84 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1sq8 h LEU 59 CO 0.07 0.38 -0.13 -0.07 0.09 0.00 0.00 178.44 178.79 1sq8 h LEU 60 N 0.73 -0.30 0.04 1.67 3.38 -0.45 -3.40 115.31 116.98 1sq8 h LEU 60 Ca 0.32 -0.08 -0.26 0.00 0.09 0.00 0.00 57.88 57.94 1sq8 h LEU 60 Cb 0.20 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1sq8 h LEU 60 CO -0.19 0.18 -1.37 0.78 0.09 0.00 0.00 178.44 177.94 1sq8 h ASN 61 N -1.06 0.13 -5.71 -0.43 2.35 -0.89 -3.48 115.58 106.50 1sq8 h ASN 61 Ca -0.04 -0.18 -0.37 0.00 -0.55 0.00 0.00 56.30 55.16 1sq8 h ASN 61 Cb 0.37 -0.04 0.15 0.00 0.05 0.00 0.00 38.32 38.84 1sq8 h ASN 61 CO 0.06 1.15 -0.69 0.61 -1.65 0.00 0.00 177.43 176.91 1sq8 n GLY 62 N 1.51 -0.48 2.54 2.83 0.00 0.14 -5.00 105.19 106.73 1sq8 n GLY 62 Ca -0.10 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1sq8 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32