#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sq8 n LEU 1 N 0.00 0.00 0.30 3.17 4.77 -1.26 -4.95 117.00 119.04 1sq8 n LEU 1 Ca 0.00 -2.48 -0.16 0.00 -0.03 0.00 0.00 56.01 53.33 1sq8 n LEU 1 Cb 0.00 0.62 -0.08 0.00 -2.33 0.00 0.00 43.42 41.63 1sq8 n LEU 1 CO 0.00 -0.37 0.63 0.24 -1.33 0.00 0.00 177.39 176.56 1sq8 h MET 2 N 0.00 -0.71 -0.87 3.23 2.86 -1.85 0.25 114.93 117.84 1sq8 h MET 2 Ca -0.28 0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.41 1sq8 h MET 2 Cb 0.98 0.16 -0.04 0.00 0.06 0.00 0.00 31.60 32.76 1sq8 h MET 2 CO 0.45 -0.44 0.54 0.78 1.06 0.00 0.00 176.91 179.30 1sq8 h GLY 3 N -0.82 1.25 0.94 8.32 0.00 -1.83 0.13 103.07 111.06 1sq8 h GLY 3 Ca -0.08 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.73 1sq8 h GLY 3 CO 0.12 0.49 0.15 0.83 0.00 0.00 0.00 176.54 178.13 1sq8 h GLU 4 N 1.19 0.57 -0.11 4.80 4.39 -1.81 0.25 114.58 123.85 1sq8 h GLU 4 Ca 0.31 -0.11 0.03 0.00 0.34 0.00 0.00 59.36 59.94 1sq8 h GLU 4 Cb -0.07 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.45 1sq8 h GLU 4 CO -0.06 0.55 -0.12 0.00 -1.16 0.00 0.00 179.01 178.22 1sq8 h ARG 5 N 0.47 -0.14 0.01 2.33 3.08 0.09 0.65 114.38 120.86 1sq8 h ARG 5 Ca 0.13 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 1sq8 h ARG 5 Cb 0.20 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1sq8 h ARG 5 CO -0.01 -0.10 -0.00 0.82 -1.07 0.00 0.00 179.97 179.61 1sq8 h ILE 6 N -0.15 1.11 -0.41 2.04 2.04 -0.79 0.16 117.51 121.50 1sq8 h ILE 6 Ca 0.08 -0.35 0.04 0.00 1.00 0.00 0.00 64.86 65.63 1sq8 h ILE 6 Cb 0.26 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 1sq8 h ILE 6 CO -0.20 0.09 0.19 -0.09 0.00 0.00 0.00 178.15 178.14 1sq8 h ARG 7 N -0.16 0.37 0.14 2.37 1.12 -0.82 -0.72 114.38 116.69 1sq8 h ARG 7 Ca -0.00 -0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 58.84 1sq8 h ARG 7 Cb 0.15 -0.08 0.00 0.00 -0.01 0.00 0.00 29.97 30.03 1sq8 h ARG 7 CO 0.00 0.25 -0.07 0.00 -3.11 0.00 0.00 179.97 177.04 1sq8 h ALA 8 N 1.23 -0.19 -0.91 2.80 0.00 -0.59 -0.96 119.26 120.64 1sq8 h ALA 8 Ca 0.18 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1sq8 h ALA 8 Cb 0.11 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1sq8 h ALA 8 CO -0.14 -0.46 0.59 -0.09 0.00 0.00 0.00 179.25 179.14 1sq8 h ARG 9 N -0.48 1.11 -0.22 0.00 1.12 -0.62 0.20 114.38 115.49 1sq8 h ARG 9 Ca -0.02 -0.07 -0.01 0.00 -1.11 0.00 0.00 59.98 58.78 1sq8 h ARG 9 Cb 0.38 -0.25 -0.01 0.00 -0.01 0.00 0.00 29.97 30.08 1sq8 h ARG 9 CO 0.03 0.74 0.11 -0.09 -3.11 0.00 0.00 179.97 177.65 1sq8 h ARG 10 N 1.15 0.31 -0.38 0.20 2.43 -0.88 -1.65 114.38 115.56 1sq8 h ARG 10 Ca 0.36 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.48 1sq8 h ARG 10 Cb 0.01 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1sq8 h ARG 10 CO -0.12 0.31 0.18 0.82 -1.51 0.00 0.00 179.97 179.65 1sq8 h ILE 11 N 0.23 1.13 0.00 1.20 1.08 -0.54 -0.18 117.51 120.43 1sq8 h ILE 11 Ca 0.08 -0.38 -0.03 0.00 -0.39 0.00 0.00 64.86 64.13 1sq8 h ILE 11 Cb 0.10 0.66 -0.00 0.00 -3.07 0.00 0.00 36.82 34.50 1sq8 h ILE 11 CO -0.01 0.15 -0.16 -0.61 -0.69 0.00 0.00 178.15 176.84 1sq8 h GLN 12 N 0.52 0.00 0.00 2.37 4.15 -0.15 0.15 115.11 122.15 1sq8 h GLN 12 Ca 0.13 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.55 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 -0.02 0.16 -0.40 -0.07 -1.93 0.00 0.00 178.83 176.57 1sq8 h LEU 13 N 0.00 0.00 1.45 -2.39 3.38 -0.17 -3.48 115.31 114.10 1sq8 h LEU 13 Ca -0.00 -0.13 -0.35 0.00 0.09 0.00 0.00 57.88 57.49 1sq8 h LEU 13 Cb 0.32 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.97 1sq8 h LEU 13 CO 0.02 0.07 -0.37 0.61 0.09 0.00 0.00 178.44 178.86 1sq8 n GLY 14 N 1.32 0.91 3.95 0.83 0.00 0.04 -5.02 105.19 107.23 1sq8 n GLY 14 Ca 0.04 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 1sq8 n GLY 14 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sq8 s LEU 15 N -4.31 3.75 0.59 0.99 1.43 -0.67 -4.96 118.68 115.49 1sq8 s LEU 15 Ca 0.00 0.29 -0.05 0.00 -1.03 0.00 0.00 54.13 53.34 1sq8 s LEU 15 Cb 0.00 -3.17 0.02 0.00 0.03 0.00 0.00 46.19 43.07 1sq8 s LEU 15 CO 0.00 -0.60 0.88 0.20 0.23 0.00 0.00 176.35 177.06 1sq8 s ASN 16 N -4.18 5.48 0.21 2.29 0.01 -1.26 -4.52 114.94 112.97 1sq8 s ASN 16 Ca 0.46 0.57 -0.10 0.00 -0.71 0.00 0.00 52.86 53.08 1sq8 s ASN 16 Cb -0.10 -1.53 0.27 0.00 0.41 0.00 0.00 41.25 40.30 1sq8 s ASN 16 CO 0.37 -1.10 1.71 1.56 -1.51 0.00 0.00 177.10 178.13 1sq8 h GLN 17 N -0.14 0.27 -0.73 -0.60 4.20 -1.98 -0.49 115.11 115.63 1sq8 h GLN 17 Ca -0.45 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.24 1sq8 h GLN 17 Cb 1.27 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.95 1sq8 h GLN 17 CO 0.60 0.18 0.45 0.00 -0.67 0.00 0.00 178.83 179.38 1sq8 h ALA 18 N 1.45 0.93 -0.07 3.87 0.00 -1.94 0.34 119.26 123.84 1sq8 h ALA 18 Ca 0.30 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1sq8 h ALA 18 Cb 0.43 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1sq8 h ALA 18 CO -0.37 0.40 -0.06 0.93 0.00 0.00 0.00 179.25 180.15 1sq8 h GLU 19 N 1.00 0.17 -0.03 0.00 5.08 -1.79 -0.73 114.58 118.28 1sq8 h GLU 19 Ca 0.26 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.56 1sq8 h GLU 19 Cb -0.04 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1sq8 h GLU 19 CO -0.05 0.58 -0.07 1.25 -1.00 0.00 0.00 179.01 179.71 1sq8 h LEU 20 N -0.24 -0.22 -0.33 1.33 5.85 -0.98 -1.51 115.31 119.22 1sq8 h LEU 20 Ca 0.01 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.84 1sq8 h LEU 20 Cb 0.54 0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.59 1sq8 h LEU 20 CO 0.01 -0.11 -0.26 0.00 -0.34 0.00 0.00 178.44 177.75 1sq8 h ALA 21 N 0.89 -0.09 -0.62 1.25 0.00 -0.87 0.17 119.26 119.98 1sq8 h ALA 21 Ca 0.04 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1sq8 h ALA 21 Cb 0.17 0.56 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1sq8 h ALA 21 CO -0.10 -0.66 0.17 0.37 0.00 0.00 0.00 179.25 179.03 1sq8 h GLN 22 N -0.22 0.96 -0.42 0.00 4.15 -0.80 0.15 115.11 118.94 1sq8 h GLN 22 Ca 0.16 -0.20 -0.10 0.00 0.77 0.00 0.00 58.65 59.28 1sq8 h GLN 22 Cb 0.48 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 1sq8 h GLN 22 CO -0.46 0.84 -0.15 1.57 -1.93 0.00 0.00 178.83 178.70 1sq8 h LYS 23 N 0.92 0.77 -0.03 1.69 2.10 -0.63 -3.10 116.57 118.30 1sq8 h LYS 23 Ca 0.20 -0.27 -0.18 0.00 -2.00 0.00 0.00 60.65 58.40 1sq8 h LYS 23 Cb 0.30 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 31.56 1sq8 h LYS 23 CO -0.00 0.88 -0.77 0.28 -2.00 0.00 0.00 179.45 177.83 1sq8 h VAL 24 N 0.69 1.45 0.00 0.07 2.07 -0.00 -3.48 116.25 117.05 1sq8 h VAL 24 Ca 0.11 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.26 1sq8 h VAL 24 Cb 0.64 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 1sq8 h VAL 24 CO 0.04 0.69 0.00 0.61 0.02 0.00 0.00 177.57 178.94 1sq8 n GLY 25 N 0.65 1.10 3.93 2.17 0.00 0.45 -4.89 105.19 108.60 1sq8 n GLY 25 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 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 2.11 0.53 1.61 -7.23 -0.66 -5.01 120.40 109.76 1sq8 s VAL 26 Ca 0.00 -1.31 -0.15 0.00 -1.81 0.00 0.00 61.98 58.71 1sq8 s VAL 26 Cb 0.00 -2.42 -0.07 0.00 0.56 0.00 0.00 36.38 34.45 1sq8 s VAL 26 CO 0.00 0.00 0.98 1.51 -0.31 0.00 0.00 175.10 177.28 1sq8 s ASP 27 N -4.34 6.51 0.27 4.85 1.47 -1.26 -4.01 116.67 120.17 1sq8 s ASP 27 Ca 0.46 1.50 -0.00 0.00 1.18 0.00 0.00 52.55 55.68 1sq8 s ASP 27 Cb -0.04 -2.49 0.58 0.00 -0.34 0.00 0.00 42.92 40.64 1sq8 s ASP 27 CO 0.28 -0.65 1.72 -0.61 0.68 0.00 0.00 175.17 176.59 1sq8 h GLN 28 N 0.62 0.43 -0.83 2.11 4.15 -1.86 -1.52 115.11 118.22 1sq8 h GLN 28 Ca -0.46 -0.03 0.15 0.00 0.77 0.00 0.00 58.65 59.08 1sq8 h GLN 28 Cb 1.19 -0.10 -0.09 0.00 0.21 0.00 0.00 27.48 28.68 1sq8 h GLN 28 CO 0.62 0.29 0.41 0.37 -1.93 0.00 0.00 178.83 178.59 1sq8 h GLN 29 N 0.45 0.57 -0.49 1.69 5.75 -1.93 -0.42 115.11 120.73 1sq8 h GLN 29 Ca 0.48 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.96 1sq8 h GLN 29 Cb 0.82 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.21 1sq8 h GLN 29 CO -0.46 0.38 0.33 0.00 -2.65 0.00 0.00 178.83 176.43 1sq8 h ALA 30 N 1.56 1.67 0.01 3.38 0.00 -1.65 0.12 119.26 124.34 1sq8 h ALA 30 Ca 0.45 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 55.11 1sq8 h ALA 30 Cb 0.65 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 18.27 1sq8 h ALA 30 CO -0.37 0.30 -0.88 0.82 0.00 0.00 0.00 179.25 179.12 1sq8 h ILE 31 N 0.65 1.34 -0.03 0.00 1.08 -1.23 -2.99 117.51 116.33 1sq8 h ILE 31 Ca 0.18 -2.20 0.02 0.00 -0.39 0.00 0.00 64.86 62.48 1sq8 h ILE 31 Cb -0.05 2.51 -0.03 0.00 -3.07 0.00 0.00 36.82 36.18 1sq8 h ILE 31 CO -0.04 0.66 -0.12 -0.08 -0.69 0.00 0.00 178.15 177.88 1sq8 h GLU 32 N 0.17 -0.19 -0.41 2.37 4.22 -0.81 -0.78 114.58 119.15 1sq8 h GLU 32 Ca -0.11 0.01 -0.05 0.00 0.08 0.00 0.00 59.36 59.29 1sq8 h GLU 32 Cb 1.56 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.83 1sq8 h GLU 32 CO 0.17 -0.12 0.06 -0.56 -2.18 0.00 0.00 179.01 176.37 1sq8 h GLN 33 N -0.19 0.62 -0.36 1.92 3.07 -0.88 -0.46 115.11 118.83 1sq8 h GLN 33 Ca 0.05 -0.13 -0.05 0.00 0.09 0.00 0.00 58.65 58.62 1sq8 h GLN 33 Cb 0.27 -0.09 -0.01 0.00 0.08 0.00 0.00 27.48 27.72 1sq8 h GLN 33 CO -0.15 0.61 0.03 -0.07 0.09 0.00 0.00 178.83 179.34 1sq8 h LEU 34 N 0.60 0.60 -1.71 0.06 3.38 -1.23 0.33 115.31 117.34 1sq8 h LEU 34 Ca 0.13 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1sq8 h LEU 34 Cb 0.30 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1sq8 h LEU 34 CO 0.00 0.74 -0.17 -0.33 0.09 0.00 0.00 178.44 178.78 1sq8 h GLU 35 N 0.45 0.00 0.00 1.13 5.08 -0.62 -0.59 114.58 120.03 1sq8 h GLU 35 Ca 0.11 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1sq8 h GLU 35 Cb 0.41 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1sq8 h GLU 35 CO 0.01 0.17 -0.11 -0.91 -1.00 0.00 0.00 179.01 177.17 1sq8 h ASN 36 N 0.00 0.00 0.00 1.42 2.35 -0.54 -3.43 115.58 115.38 1sq8 h ASN 36 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1sq8 h ASN 36 Cb 0.43 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.80 1sq8 h ASN 36 CO 0.02 0.11 0.00 0.61 -1.65 0.00 0.00 177.43 176.52 1sq8 n GLY 37 N 0.07 0.50 0.24 2.83 0.00 -0.23 -4.97 105.19 103.64 1sq8 n GLY 37 Ca 0.00 -0.32 0.14 0.00 0.00 0.00 0.00 46.02 45.84 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 0.84 0.00 -4.99 1.61 1.57 -0.59 -3.38 116.57 111.64 1sq8 h LYS 38 Ca 0.00 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.12 1sq8 h LYS 38 Cb 0.00 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 32.02 1sq8 h LYS 38 CO 0.00 0.04 -0.74 0.00 -0.57 0.00 0.00 179.45 178.18 1sq8 s ALA 39 N -3.43 2.75 0.00 3.86 0.00 -1.23 -4.95 121.76 118.76 1sq8 s ALA 39 Ca 0.04 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.78 1sq8 s ALA 39 Cb 0.07 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.54 1sq8 s ALA 39 CO 0.62 -0.48 0.30 1.17 0.00 0.00 0.00 175.76 177.37 1sq8 n LYS 40 N 4.76 0.00 -3.46 0.00 0.00 -1.26 -4.60 118.16 113.60 1sq8 n LYS 40 Ca -0.18 0.37 -0.43 0.00 0.00 0.00 0.00 58.31 58.07 1sq8 n LYS 40 Cb 0.50 -1.05 -0.06 0.00 0.00 0.00 0.00 35.03 34.42 1sq8 n LYS 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1sq8 s ARG 41 N -1.36 2.90 0.47 1.64 3.52 -1.26 -5.04 118.95 119.84 1sq8 s ARG 41 Ca 0.00 -2.05 -0.23 0.00 -0.13 0.00 0.00 55.73 53.32 1sq8 s ARG 41 Cb 0.00 -4.12 -0.07 0.00 -1.56 0.00 0.00 34.95 29.20 1sq8 s ARG 41 CO 0.00 -1.25 1.22 -1.25 -0.81 0.00 0.00 175.30 173.21 1sq8 s PRO 42 N 0.90 3.63 0.42 5.12 0.04 -1.26 -4.89 135.00 138.95 1sq8 s PRO 42 Ca 0.10 1.91 0.29 0.00 0.04 0.00 0.00 61.00 63.33 1sq8 s PRO 42 Cb -0.22 -2.40 1.51 0.00 0.04 0.00 0.00 34.50 33.43 1sq8 s PRO 42 CO -0.02 -0.69 1.87 0.07 0.04 0.00 0.00 177.00 178.26 1sq8 h ARG 43 N 1.96 0.00 -0.29 4.56 -0.00 -1.99 -1.29 114.38 117.33 1sq8 h ARG 43 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.48 1sq8 h ARG 43 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.23 1sq8 h ARG 43 CO 0.60 0.00 0.00 1.97 -0.00 0.00 0.00 179.97 182.54 1sq8 n PHE 44 N -2.51 0.95 -0.19 4.08 -1.74 -1.26 -4.86 117.46 111.93 1sq8 n PHE 44 Ca -0.02 -0.82 -0.03 0.00 -0.56 0.00 0.00 57.45 56.03 1sq8 n PHE 44 Cb 0.07 -0.29 0.04 0.00 1.52 0.00 0.00 39.48 40.82 1sq8 n PHE 44 CO 0.00 0.00 0.00 1.25 -0.56 0.00 0.00 176.76 177.45 1sq8 h LEU 45 N 1.97 -0.75 -1.04 5.98 5.85 -1.60 0.20 115.31 125.93 1sq8 h LEU 45 Ca 0.00 0.19 -0.10 0.00 0.84 0.00 0.00 57.88 58.81 1sq8 h LEU 45 Cb 1.38 0.43 -0.01 0.00 0.37 0.00 0.00 40.66 42.83 1sq8 h LEU 45 CO 0.21 -0.24 -0.42 1.55 -0.34 0.00 0.00 178.44 179.20 1sq8 h PRO 46 N -0.07 0.11 -0.23 5.25 0.13 -1.89 -0.65 132.00 134.66 1sq8 h PRO 46 Ca 0.27 -0.05 -0.10 0.00 -0.87 0.00 0.00 66.00 65.24 1sq8 h PRO 46 Cb 0.48 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.61 1sq8 h PRO 46 CO -0.62 0.52 -0.26 0.93 -0.23 0.00 0.00 178.00 178.34 1sq8 h GLU 47 N 0.09 0.58 0.40 0.86 3.07 -1.63 0.06 114.58 118.02 1sq8 h GLU 47 Ca 0.01 -0.32 -0.01 0.00 -0.50 0.00 0.00 59.36 58.54 1sq8 h GLU 47 Cb 0.79 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.70 1sq8 h GLU 47 CO 0.06 0.91 -0.37 1.25 -1.40 0.00 0.00 179.01 179.46 1sq8 h LEU 48 N 0.28 -1.00 -0.93 1.33 5.85 -0.56 -0.23 115.31 120.05 1sq8 h LEU 48 Ca 0.03 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1sq8 h LEU 48 Cb 0.82 0.33 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 1sq8 h LEU 48 CO 0.06 -0.52 0.42 0.00 -0.34 0.00 0.00 178.44 178.06 1sq8 h ALA 49 N -0.37 1.17 -0.70 1.25 0.00 -0.97 0.35 119.26 119.99 1sq8 h ALA 49 Ca -0.03 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1sq8 h ALA 49 Cb 0.70 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1sq8 h ALA 49 CO -0.05 0.64 0.15 -0.09 0.00 0.00 0.00 179.25 179.91 1sq8 h ARG 50 N 1.18 1.12 0.23 0.00 1.12 -0.86 0.33 114.38 117.51 1sq8 h ARG 50 Ca 0.29 -0.28 -0.01 0.00 -1.11 0.00 0.00 59.98 58.87 1sq8 h ARG 50 Cb 0.08 -0.14 0.00 0.00 -0.01 0.00 0.00 29.97 29.90 1sq8 h ARG 50 CO -0.04 1.00 -0.11 0.00 -3.11 0.00 0.00 179.97 177.71 1sq8 h ALA 51 N 1.09 -0.31 0.00 2.80 0.00 -0.34 -3.18 119.26 119.33 1sq8 h ALA 51 Ca 0.22 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1sq8 h ALA 51 Cb 0.39 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1sq8 h ALA 51 CO 0.01 -0.58 -0.07 -0.07 0.00 0.00 0.00 179.25 178.53 1sq8 h LEU 52 N -0.50 0.00 -0.90 0.00 3.38 -0.04 -3.47 115.31 113.78 1sq8 h LEU 52 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1sq8 h LEU 52 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1sq8 h LEU 52 CO 0.05 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.27 1sq8 n GLY 53 N -1.07 0.95 3.30 0.83 0.00 0.10 -5.05 105.19 104.26 1sq8 n GLY 53 Ca -0.02 -0.59 -0.18 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.87 0.20 0.54 1.61 -7.23 -0.22 -5.02 120.40 107.40 1sq8 s VAL 54 Ca 0.00 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.01 1sq8 s VAL 54 Cb 0.00 -2.50 -0.07 0.00 0.56 0.00 0.00 36.38 34.37 1sq8 s VAL 54 CO 0.00 0.00 1.00 0.00 -0.31 0.00 0.00 175.10 175.79 1sq8 s ALA 55 N -3.66 3.03 0.33 1.32 0.00 -1.26 -4.17 121.76 117.34 1sq8 s ALA 55 Ca 0.37 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1sq8 s ALA 55 Cb 0.05 -3.13 0.55 0.00 0.00 0.00 0.00 23.12 20.59 1sq8 s ALA 55 CO 0.19 -0.36 1.99 0.28 0.00 0.00 0.00 175.76 177.85 1sq8 h VAL 56 N 0.70 1.18 -0.54 0.00 2.07 -1.92 -0.74 116.25 117.01 1sq8 h VAL 56 Ca -0.46 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 66.66 1sq8 h VAL 56 Cb 1.19 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1sq8 h VAL 56 CO 0.61 0.18 0.07 -0.78 0.02 0.00 0.00 177.57 177.67 1sq8 h ASP 57 N 0.98 0.81 -0.39 0.57 1.82 -1.98 0.20 116.42 118.43 1sq8 h ASP 57 Ca 0.27 -0.17 -0.04 0.00 -0.39 0.00 0.00 57.03 56.70 1sq8 h ASP 57 Cb -0.10 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 39.68 1sq8 h ASP 57 CO -0.06 0.83 0.10 -0.25 -1.61 0.00 0.00 179.24 178.26 1sq8 h TRP 58 N 0.81 0.64 0.40 0.28 7.01 -1.84 0.85 115.95 124.10 1sq8 h TRP 58 Ca 0.17 -0.07 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 1sq8 h TRP 58 Cb 0.38 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.25 1sq8 h TRP 58 CO 0.02 0.62 -0.27 -0.07 -2.79 0.00 0.00 178.44 175.95 1sq8 h LEU 59 N 0.48 -0.68 0.29 0.65 3.38 -0.44 0.25 115.31 119.23 1sq8 h LEU 59 Ca 0.12 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1sq8 h LEU 59 Cb 0.29 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1sq8 h LEU 59 CO -0.00 -0.42 -0.24 -0.07 0.09 0.00 0.00 178.44 177.80 1sq8 h LEU 60 N -0.65 -0.63 0.00 1.67 3.38 -0.52 -3.39 115.31 115.17 1sq8 h LEU 60 Ca -0.04 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1sq8 h LEU 60 Cb 0.55 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1sq8 h LEU 60 CO 0.02 -0.36 -1.23 0.59 0.09 0.00 0.00 178.44 177.55 1sq8 n ASN 61 N -5.36 3.98 -3.04 -0.43 3.02 0.28 -4.75 115.26 108.95 1sq8 n ASN 61 Ca -0.09 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.41 1sq8 n ASN 61 Cb 0.27 0.98 0.00 0.00 -0.61 0.00 0.00 39.78 40.43 1sq8 n ASN 61 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sq8 n GLY 62 N 2.43 -1.23 3.99 7.41 0.00 0.87 -5.00 105.19 113.66 1sq8 n GLY 62 Ca -0.03 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.75 1sq8 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32