#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 3.19 0.03 3.17 1.02 -1.26 -4.98 118.68 119.86 1sq8 s LEU 1 Ca 0.00 -0.40 -0.26 0.00 0.02 0.00 0.00 54.13 53.49 1sq8 s LEU 1 Cb 0.00 -2.23 -0.17 0.00 0.02 0.00 0.00 46.19 43.81 1sq8 s LEU 1 CO 0.00 -1.37 1.41 0.24 0.02 0.00 0.00 176.35 176.65 1sq8 h MET 2 N -0.01 -0.36 -0.83 1.70 2.86 -1.90 -0.67 114.93 115.72 1sq8 h MET 2 Ca -0.37 0.02 0.17 0.00 -2.06 0.00 0.00 59.70 57.47 1sq8 h MET 2 Cb 1.28 0.08 -0.11 0.00 0.06 0.00 0.00 31.60 32.92 1sq8 h MET 2 CO 0.44 -0.09 0.36 0.78 1.06 0.00 0.00 176.91 179.46 1sq8 h GLY 3 N -0.60 1.33 0.81 8.32 0.00 -1.76 0.32 103.07 111.48 1sq8 h GLY 3 Ca -0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 1sq8 h GLY 3 CO 0.06 -0.14 0.02 0.83 0.00 0.00 0.00 176.54 177.31 1sq8 h GLU 4 N 0.47 0.21 -0.61 4.80 5.08 -1.79 -2.38 114.58 120.36 1sq8 h GLU 4 Ca 0.48 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.83 1sq8 h GLU 4 Cb 0.78 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.96 1sq8 h GLU 4 CO -0.44 0.40 0.33 0.00 -1.00 0.00 0.00 179.01 178.30 1sq8 h ARG 5 N -0.01 0.61 -0.13 2.33 3.08 0.19 0.28 114.38 120.74 1sq8 h ARG 5 Ca 0.04 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1sq8 h ARG 5 Cb 0.29 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1sq8 h ARG 5 CO 0.00 0.40 0.04 0.82 -1.07 0.00 0.00 179.97 180.17 1sq8 h ILE 6 N 0.63 1.17 -0.37 2.04 2.04 -1.01 -0.45 117.51 121.56 1sq8 h ILE 6 Ca 0.27 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1sq8 h ILE 6 Cb 0.16 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 1sq8 h ILE 6 CO -0.17 0.16 0.24 -0.09 0.00 0.00 0.00 178.15 178.29 1sq8 h ARG 7 N 0.03 0.50 0.11 2.37 2.43 -0.85 -2.15 114.38 116.82 1sq8 h ARG 7 Ca 0.04 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1sq8 h ARG 7 Cb 0.20 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 1sq8 h ARG 7 CO -0.00 0.34 -0.26 0.00 -1.51 0.00 0.00 179.97 178.54 1sq8 h ALA 8 N 1.13 -0.43 -0.13 2.80 0.00 -0.12 0.95 119.26 123.45 1sq8 h ALA 8 Ca 0.14 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1sq8 h ALA 8 Cb -0.04 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1sq8 h ALA 8 CO -0.03 -0.79 -0.49 -0.09 0.00 0.00 0.00 179.25 177.85 1sq8 h ARG 9 N -0.46 0.34 0.79 0.00 1.12 -1.11 -0.05 114.38 115.00 1sq8 h ARG 9 Ca 0.03 -0.19 -0.03 0.00 -1.11 0.00 0.00 59.98 58.68 1sq8 h ARG 9 Cb 0.49 0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 30.46 1sq8 h ARG 9 CO -0.16 0.75 -0.46 -0.09 -3.11 0.00 0.00 179.97 176.91 1sq8 h ARG 10 N 0.27 -1.11 -0.66 0.20 2.43 -0.88 -3.04 114.38 111.58 1sq8 h ARG 10 Ca 0.01 0.08 0.11 0.00 -0.81 0.00 0.00 59.98 59.37 1sq8 h ARG 10 Cb 0.96 0.25 -0.04 0.00 -0.42 0.00 0.00 29.97 30.72 1sq8 h ARG 10 CO 0.08 -0.74 0.44 0.82 -1.51 0.00 0.00 179.97 179.06 1sq8 h ILE 11 N -1.16 0.87 -0.40 1.20 1.08 -0.58 -0.21 117.51 118.31 1sq8 h ILE 11 Ca -0.10 -0.15 0.08 0.00 -0.39 0.00 0.00 64.86 64.29 1sq8 h ILE 11 Cb 0.92 0.39 -0.02 0.00 -3.07 0.00 0.00 36.82 35.04 1sq8 h ILE 11 CO 0.12 0.08 0.28 -0.61 -0.69 0.00 0.00 178.15 177.33 1sq8 h GLN 12 N 0.44 0.20 -0.01 2.37 4.15 -0.89 0.78 115.11 122.14 1sq8 h GLN 12 Ca 0.31 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.72 1sq8 h GLN 12 Cb 0.63 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.28 1sq8 h GLN 12 CO -0.09 0.13 -0.37 -0.11 -1.93 0.00 0.00 178.83 176.46 1sq8 n LEU 13 N -4.46 1.68 -3.08 -2.39 7.94 -0.17 -4.98 117.00 111.53 1sq8 n LEU 13 Ca 0.06 -0.58 -0.23 0.00 -1.11 0.00 0.00 56.01 54.15 1sq8 n LEU 13 Cb 0.33 -0.04 0.04 0.00 0.53 0.00 0.00 43.42 44.27 1sq8 n LEU 13 CO 0.35 0.31 0.01 0.61 -1.11 0.00 0.00 177.39 177.56 1sq8 n GLY 14 N 1.38 -0.52 3.71 -3.96 0.00 0.27 -5.01 105.19 101.06 1sq8 n GLY 14 Ca 0.11 0.14 -0.23 0.00 0.00 0.00 0.00 46.02 46.04 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 -6.73 3.26 0.50 0.99 2.34 -1.22 -5.02 118.68 112.80 1sq8 s LEU 15 Ca 0.33 -0.73 0.03 0.00 0.06 0.00 0.00 54.13 53.82 1sq8 s LEU 15 Cb -0.15 -1.74 0.02 0.00 -0.56 0.00 0.00 46.19 43.76 1sq8 s LEU 15 CO 0.41 -0.21 0.70 0.20 -1.06 0.00 0.00 176.35 176.38 1sq8 s ASN 16 N -3.80 5.45 0.20 1.48 0.01 -1.26 -4.45 114.94 112.57 1sq8 s ASN 16 Ca 0.36 -0.10 -0.12 0.00 -0.71 0.00 0.00 52.86 52.29 1sq8 s ASN 16 Cb -0.04 -0.89 0.26 0.00 0.41 0.00 0.00 41.25 40.99 1sq8 s ASN 16 CO 0.22 -0.98 1.67 1.56 -1.51 0.00 0.00 177.10 178.06 1sq8 h GLN 17 N 0.28 0.12 -0.94 -0.60 4.20 -1.99 -1.07 115.11 115.10 1sq8 h GLN 17 Ca -0.42 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.32 1sq8 h GLN 17 Cb 1.29 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.99 1sq8 h GLN 17 CO 0.51 0.08 0.62 0.00 -0.67 0.00 0.00 178.83 179.36 1sq8 h ALA 18 N 1.52 1.40 0.05 3.87 0.00 -1.95 0.11 119.26 124.26 1sq8 h ALA 18 Ca 0.30 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1sq8 h ALA 18 Cb 0.47 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1sq8 h ALA 18 CO -0.49 0.51 -0.02 0.93 0.00 0.00 0.00 179.25 180.18 1sq8 h GLU 19 N 1.18 -0.07 -0.39 0.00 5.08 -1.77 -1.04 114.58 117.57 1sq8 h GLU 19 Ca 0.37 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.80 1sq8 h GLU 19 Cb 0.01 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.22 1sq8 h GLU 19 CO -0.11 0.49 0.06 1.25 -1.00 0.00 0.00 179.01 179.69 1sq8 h LEU 20 N -0.68 -0.03 -0.15 1.33 5.85 -1.09 -2.41 115.31 118.12 1sq8 h LEU 20 Ca -0.01 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.82 1sq8 h LEU 20 Cb 0.58 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 1sq8 h LEU 20 CO 0.01 0.02 -0.09 0.00 -0.34 0.00 0.00 178.44 178.04 1sq8 h ALA 21 N 1.31 0.03 -0.83 1.25 0.00 -0.74 -1.31 119.26 118.98 1sq8 h ALA 21 Ca 0.19 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.19 1sq8 h ALA 21 Cb 0.24 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1sq8 h ALA 21 CO -0.26 -0.53 0.53 0.37 0.00 0.00 0.00 179.25 179.35 1sq8 h GLN 22 N -0.09 1.00 -0.16 0.00 4.15 -0.78 0.16 115.11 119.39 1sq8 h GLN 22 Ca 0.09 -0.06 -0.16 0.00 0.77 0.00 0.00 58.65 59.29 1sq8 h GLN 22 Cb 0.22 -0.23 0.01 0.00 0.21 0.00 0.00 27.48 27.69 1sq8 h GLN 22 CO -0.21 0.66 -0.53 1.57 -1.93 0.00 0.00 178.83 178.40 1sq8 h LYS 23 N 1.03 0.64 0.00 1.69 2.10 -1.11 -2.79 116.57 118.13 1sq8 h LYS 23 Ca 0.33 -0.48 0.00 0.00 -2.00 0.00 0.00 60.65 58.51 1sq8 h LYS 23 Cb 0.02 0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 1sq8 h LYS 23 CO -0.12 1.10 0.00 0.28 -2.00 0.00 0.00 179.45 178.71 1sq8 h VAL 24 N 0.32 0.00 0.00 0.07 2.07 -0.89 -3.47 116.25 114.35 1sq8 h VAL 24 Ca -0.02 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1sq8 h VAL 24 Cb 1.15 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1sq8 h VAL 24 CO 0.11 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.31 1sq8 n GLY 25 N 0.37 0.51 3.98 2.17 0.00 0.45 -4.89 105.19 107.78 1sq8 n GLY 25 Ca 0.03 -0.88 -0.23 0.00 0.00 0.00 0.00 46.02 44.93 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 1.83 0.47 1.61 -7.23 -0.49 -5.01 120.40 109.58 1sq8 s VAL 26 Ca 0.00 -1.24 -0.10 0.00 -1.81 0.00 0.00 61.98 58.83 1sq8 s VAL 26 Cb 0.00 -2.07 -0.06 0.00 0.56 0.00 0.00 36.38 34.82 1sq8 s VAL 26 CO 0.00 0.00 0.85 1.51 -0.31 0.00 0.00 175.10 177.15 1sq8 s ASP 27 N -4.51 6.44 0.29 4.85 -4.77 -1.26 -4.21 116.67 113.50 1sq8 s ASP 27 Ca 0.48 1.20 0.03 0.00 -3.30 0.00 0.00 52.55 50.96 1sq8 s ASP 27 Cb -0.04 -2.36 0.63 0.00 -1.09 0.00 0.00 42.92 40.06 1sq8 s ASP 27 CO 0.30 -0.54 1.80 -0.61 0.70 0.00 0.00 175.17 176.83 1sq8 h GLN 28 N 0.76 0.81 -0.80 2.11 4.15 -1.88 -1.85 115.11 118.40 1sq8 h GLN 28 Ca -0.47 -0.05 0.15 0.00 0.77 0.00 0.00 58.65 59.06 1sq8 h GLN 28 Cb 1.19 -0.18 -0.10 0.00 0.21 0.00 0.00 27.48 28.60 1sq8 h GLN 28 CO 0.63 0.53 0.36 0.37 -1.93 0.00 0.00 178.83 178.79 1sq8 h GLN 29 N 0.83 0.48 -0.88 1.69 4.15 -1.93 -0.21 115.11 119.25 1sq8 h GLN 29 Ca 0.53 -0.03 0.10 0.00 0.77 0.00 0.00 58.65 60.02 1sq8 h GLN 29 Cb 0.69 -0.11 -0.08 0.00 0.21 0.00 0.00 27.48 28.20 1sq8 h GLN 29 CO -0.33 0.32 0.52 0.00 -1.93 0.00 0.00 178.83 177.41 1sq8 h ALA 30 N 1.57 1.27 -0.17 3.38 0.00 -1.72 0.14 119.26 123.74 1sq8 h ALA 30 Ca 0.45 0.03 -0.22 0.00 0.00 0.00 0.00 54.91 55.17 1sq8 h ALA 30 Cb 0.69 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.34 1sq8 h ALA 30 CO -0.41 0.14 -0.76 0.82 0.00 0.00 0.00 179.25 179.05 1sq8 h ILE 31 N 0.85 1.27 -0.30 0.00 1.08 -1.12 -1.91 117.51 117.38 1sq8 h ILE 31 Ca 0.43 -1.94 -0.03 0.00 -0.39 0.00 0.00 64.86 62.93 1sq8 h ILE 31 Cb 0.40 1.94 -0.01 0.00 -3.07 0.00 0.00 36.82 36.07 1sq8 h ILE 31 CO -0.25 0.62 0.09 -0.08 -0.69 0.00 0.00 178.15 177.84 1sq8 h GLU 32 N 0.56 0.48 -0.49 2.37 4.57 -0.73 -0.59 114.58 120.75 1sq8 h GLU 32 Ca -0.05 -0.11 -0.07 0.00 -1.18 0.00 0.00 59.36 57.95 1sq8 h GLU 32 Cb 1.39 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.89 1sq8 h GLU 32 CO 0.16 0.54 0.01 -0.56 -1.18 0.00 0.00 179.01 177.97 1sq8 h GLN 33 N 0.33 0.80 -0.26 1.92 3.07 -0.77 -1.66 115.11 118.56 1sq8 h GLN 33 Ca 0.10 -0.21 -0.10 0.00 0.09 0.00 0.00 58.65 58.52 1sq8 h GLN 33 Cb 0.26 -0.09 -0.01 0.00 0.08 0.00 0.00 27.48 27.71 1sq8 h GLN 33 CO -0.00 0.80 -0.27 -0.07 0.09 0.00 0.00 178.83 179.39 1sq8 h LEU 34 N 0.75 0.51 0.02 0.06 3.38 -1.02 0.19 115.31 119.20 1sq8 h LEU 34 Ca 0.15 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1sq8 h LEU 34 Cb 0.45 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1sq8 h LEU 34 CO 0.02 0.77 -0.03 -0.33 0.09 0.00 0.00 178.44 178.95 1sq8 h GLU 35 N 0.44 -0.06 0.00 1.13 5.08 -0.71 -2.61 114.58 117.86 1sq8 h GLU 35 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1sq8 h GLU 35 Cb 0.70 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1sq8 h GLU 35 CO 0.05 -0.04 0.00 0.09 -1.00 0.00 0.00 179.01 178.11 1sq8 n ASN 36 N -5.13 0.00 -0.11 1.42 3.02 -0.66 -4.34 115.26 109.45 1sq8 n ASN 36 Ca -0.07 0.41 -0.01 0.00 -0.03 0.00 0.00 54.58 54.88 1sq8 n ASN 36 Cb 0.07 -0.44 -0.01 0.00 -0.61 0.00 0.00 39.78 38.79 1sq8 n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sq8 n GLY 37 N -0.86 0.46 0.13 7.41 0.00 -0.97 -4.90 105.19 106.45 1sq8 n GLY 37 Ca 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 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 0.53 0.00 -6.50 1.61 1.57 -0.87 -3.40 116.57 109.50 1sq8 h LYS 38 Ca -0.03 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.11 1sq8 h LYS 38 Cb 0.36 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.52 1sq8 h LYS 38 CO 0.04 0.65 -0.73 0.00 -0.57 0.00 0.00 179.45 178.84 1sq8 s ALA 39 N -3.45 2.93 0.03 3.86 0.00 -1.14 -4.95 121.76 119.03 1sq8 s ALA 39 Ca -0.01 -1.39 -0.01 0.00 0.00 0.00 0.00 51.96 50.55 1sq8 s ALA 39 Cb 0.12 -0.78 -0.00 0.00 0.00 0.00 0.00 23.12 22.46 1sq8 s ALA 39 CO 0.76 0.53 -0.02 1.17 0.00 0.00 0.00 175.76 178.21 1sq8 n LYS 40 N 0.30 0.02 -3.23 0.00 0.00 -1.26 -4.57 118.16 109.42 1sq8 n LYS 40 Ca -0.12 0.01 -0.45 0.00 0.00 0.00 0.00 58.31 57.75 1sq8 n LYS 40 Cb 0.54 -0.27 -0.06 0.00 0.00 0.00 0.00 35.03 35.24 1sq8 n LYS 40 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1sq8 s ARG 41 N -1.44 3.03 0.64 1.64 0.52 -1.26 -5.07 118.95 117.01 1sq8 s ARG 41 Ca -0.01 -1.33 -0.11 0.00 -0.52 0.00 0.00 55.73 53.76 1sq8 s ARG 41 Cb 0.00 -4.21 -0.02 0.00 0.52 0.00 0.00 34.95 31.24 1sq8 s ARG 41 CO 0.02 -1.31 1.04 -1.25 0.02 0.00 0.00 175.30 173.82 1sq8 s PRO 42 N 2.18 3.38 0.61 3.54 0.04 -1.26 -4.97 135.00 138.52 1sq8 s PRO 42 Ca 0.09 0.79 0.35 0.00 0.04 0.00 0.00 61.00 62.26 1sq8 s PRO 42 Cb -0.25 -2.05 2.01 0.00 0.04 0.00 0.00 34.50 34.26 1sq8 s PRO 42 CO 0.07 -0.74 2.29 0.07 0.04 0.00 0.00 177.00 178.73 1sq8 h ARG 43 N -0.45 0.00 -0.43 4.56 -0.00 -2.05 -2.80 114.38 113.22 1sq8 h ARG 43 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.54 1sq8 h ARG 43 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.17 1sq8 h ARG 43 CO 0.61 0.00 0.00 1.97 -0.00 0.00 0.00 179.97 182.55 1sq8 n PHE 44 N -3.60 1.45 -0.14 4.08 1.16 -1.26 -4.81 117.46 114.34 1sq8 n PHE 44 Ca -0.03 -0.78 -0.03 0.00 -1.87 0.00 0.00 57.45 54.74 1sq8 n PHE 44 Cb 0.08 -0.38 0.03 0.00 -1.61 0.00 0.00 39.48 37.60 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 2.93 -0.35 -1.03 5.98 5.85 -1.89 0.19 115.31 126.99 1sq8 h LEU 45 Ca 0.00 0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.77 1sq8 h LEU 45 Cb 1.65 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.92 1sq8 h LEU 45 CO 0.33 -0.12 -0.36 1.55 -0.34 0.00 0.00 178.44 179.49 1sq8 h PRO 46 N 0.03 0.00 -0.19 5.25 0.13 -1.89 -0.08 132.00 135.25 1sq8 h PRO 46 Ca 0.22 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.31 1sq8 h PRO 46 Cb 0.34 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.46 1sq8 h PRO 46 CO -0.44 0.36 -0.05 0.93 -0.23 0.00 0.00 178.00 178.57 1sq8 h GLU 47 N 0.00 0.37 0.05 0.86 4.39 -1.59 -0.41 114.58 118.25 1sq8 h GLU 47 Ca -0.00 -0.14 0.01 0.00 0.34 0.00 0.00 59.36 59.56 1sq8 h GLU 47 Cb 0.84 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.46 1sq8 h GLU 47 CO 0.05 0.63 -0.08 1.25 -1.16 0.00 0.00 179.01 179.70 1sq8 h LEU 48 N 0.09 -0.21 -0.12 1.33 6.46 -0.49 0.75 115.31 123.11 1sq8 h LEU 48 Ca 0.05 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.83 1sq8 h LEU 48 Cb 0.50 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.51 1sq8 h LEU 48 CO 0.02 -0.12 0.07 0.00 -0.62 0.00 0.00 178.44 177.80 1sq8 h ALA 49 N 0.79 0.16 -0.59 1.25 0.00 -0.91 0.39 119.26 120.35 1sq8 h ALA 49 Ca 0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1sq8 h ALA 49 Cb 0.17 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1sq8 h ALA 49 CO -0.05 -0.33 0.21 -0.09 0.00 0.00 0.00 179.25 178.99 1sq8 h ARG 50 N 0.13 0.89 -0.13 0.00 2.43 -0.98 0.14 114.38 116.87 1sq8 h ARG 50 Ca 0.04 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1sq8 h ARG 50 Cb 0.03 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1sq8 h ARG 50 CO -0.01 0.79 0.08 0.00 -1.51 0.00 0.00 179.97 179.32 1sq8 h ALA 51 N 1.07 0.17 -0.28 2.80 0.00 -0.62 -2.84 119.26 119.55 1sq8 h ALA 51 Ca 0.19 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1sq8 h ALA 51 Cb 0.24 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1sq8 h ALA 51 CO -0.01 -0.32 0.11 1.25 0.00 0.00 0.00 179.25 180.28 1sq8 h LEU 52 N 0.15 0.14 0.00 0.00 5.85 0.12 -3.47 115.31 118.09 1sq8 h LEU 52 Ca 0.05 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1sq8 h LEU 52 Cb 0.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.06 1sq8 h LEU 52 CO -0.01 0.12 0.00 0.61 -0.34 0.00 0.00 178.44 178.82 1sq8 n GLY 53 N -1.19 0.58 3.44 3.75 0.00 0.41 -5.05 105.19 107.12 1sq8 n GLY 53 Ca -0.01 -0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.17 0.00 0.48 1.61 -7.23 -0.65 -5.04 120.40 108.40 1sq8 s VAL 54 Ca 0.00 -1.68 -0.10 0.00 -1.81 0.00 0.00 61.98 58.39 1sq8 s VAL 54 Cb 0.00 -2.53 -0.05 0.00 0.56 0.00 0.00 36.38 34.36 1sq8 s VAL 54 CO 0.00 0.00 0.85 0.00 -0.31 0.00 0.00 175.10 175.64 1sq8 s ALA 55 N -3.43 3.28 0.41 1.32 0.00 -1.26 -3.93 121.76 118.14 1sq8 s ALA 55 Ca 0.32 -0.21 0.10 0.00 0.00 0.00 0.00 51.96 52.16 1sq8 s ALA 55 Cb 0.01 -2.80 0.90 0.00 0.00 0.00 0.00 23.12 21.23 1sq8 s ALA 55 CO 0.18 -0.26 1.99 0.28 0.00 0.00 0.00 175.76 177.96 1sq8 h VAL 56 N 0.57 0.98 -0.84 0.00 2.07 -1.91 -0.94 116.25 116.19 1sq8 h VAL 56 Ca -0.46 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 1sq8 h VAL 56 Cb 1.19 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 1sq8 h VAL 56 CO 0.63 0.10 0.51 -0.78 0.02 0.00 0.00 177.57 178.05 1sq8 h ASP 57 N 0.55 1.00 -0.38 0.57 3.58 -1.98 0.20 116.42 119.97 1sq8 h ASP 57 Ca 0.26 -0.05 -0.06 0.00 0.42 0.00 0.00 57.03 57.59 1sq8 h ASP 57 Cb 0.31 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 1sq8 h ASP 57 CO -0.08 0.77 -0.00 -0.25 -2.88 0.00 0.00 179.24 176.80 1sq8 h TRP 58 N 1.16 0.74 -0.04 0.28 7.01 -1.68 0.16 115.95 123.57 1sq8 h TRP 58 Ca 0.30 -0.13 0.02 0.00 2.11 0.00 0.00 58.89 61.19 1sq8 h TRP 58 Cb -0.06 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 26.79 1sq8 h TRP 58 CO 0.00 0.76 -0.08 -0.07 -2.79 0.00 0.00 178.44 176.27 1sq8 h LEU 59 N 0.50 -0.24 0.71 0.65 3.38 -0.54 0.11 115.31 119.87 1sq8 h LEU 59 Ca 0.11 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1sq8 h LEU 59 Cb 0.47 0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.34 1sq8 h LEU 59 CO 0.02 -0.12 -0.34 -0.07 0.09 0.00 0.00 178.44 178.02 1sq8 h LEU 60 N -0.12 -0.80 0.02 1.67 3.38 -0.58 -3.41 115.31 115.47 1sq8 h LEU 60 Ca 0.05 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.63 1sq8 h LEU 60 Cb 0.18 0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 1sq8 h LEU 60 CO -0.11 -0.47 -2.39 0.59 0.09 0.00 0.00 178.44 176.16 1sq8 n ASN 61 N -5.43 2.01 -0.22 -0.43 3.02 0.55 -4.89 115.26 109.88 1sq8 n ASN 61 Ca -0.13 -0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 1sq8 n ASN 61 Cb 0.39 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 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 2.21 0.95 3.39 7.41 0.00 0.37 -4.96 105.19 114.56 1sq8 n GLY 62 Ca -0.43 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1sq8 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32