#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 2.56 0.13 3.17 2.01 -1.26 -4.89 118.68 120.40 1sq8 s LEU 1 Ca 0.00 1.22 -0.24 0.00 0.01 0.00 0.00 54.13 55.12 1sq8 s LEU 1 Cb 0.00 -3.82 -0.03 0.00 0.01 0.00 0.00 46.19 42.35 1sq8 s LEU 1 CO 0.00 -1.96 1.65 0.24 1.01 0.00 0.00 176.35 177.28 1sq8 h MET 2 N -1.09 -0.30 0.17 1.70 2.86 -1.90 -1.91 114.93 114.46 1sq8 h MET 2 Ca -0.47 0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.20 1sq8 h MET 2 Cb 1.28 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.96 1sq8 h MET 2 CO 0.60 -0.20 -0.46 0.78 1.06 0.00 0.00 176.91 178.69 1sq8 h GLY 3 N -0.32 -0.98 1.07 8.32 0.00 -1.77 0.10 103.07 109.50 1sq8 h GLY 3 Ca 0.08 0.55 -0.00 0.00 0.00 0.00 0.00 47.33 47.96 1sq8 h GLY 3 CO -0.25 -0.28 0.56 -2.09 0.00 0.00 0.00 176.54 174.48 1sq8 h GLU 4 N -0.73 1.23 -0.21 4.80 4.22 -1.63 0.33 114.58 122.60 1sq8 h GLU 4 Ca 0.00 -0.11 0.05 0.00 0.08 0.00 0.00 59.36 59.39 1sq8 h GLU 4 Cb 0.73 -0.26 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 1sq8 h GLU 4 CO -0.23 0.85 -0.12 -0.09 -2.18 0.00 0.00 179.01 177.25 1sq8 h ARG 5 N 1.26 -0.09 -0.09 1.92 2.43 -0.95 -0.01 114.38 118.85 1sq8 h ARG 5 Ca 0.33 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1sq8 h ARG 5 Cb -0.07 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1sq8 h ARG 5 CO -0.06 -0.06 0.04 0.82 -1.51 0.00 0.00 179.97 179.20 1sq8 h ILE 6 N -0.10 1.12 -0.42 1.20 2.04 0.01 -1.24 117.51 120.12 1sq8 h ILE 6 Ca 0.12 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.65 1sq8 h ILE 6 Cb 0.27 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 1sq8 h ILE 6 CO -0.27 0.11 0.22 -0.09 0.00 0.00 0.00 178.15 178.11 1sq8 h ARG 7 N 0.02 0.43 0.24 2.37 1.12 -0.60 0.23 114.38 118.20 1sq8 h ARG 7 Ca 0.03 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 58.86 1sq8 h ARG 7 Cb 0.13 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 29.99 1sq8 h ARG 7 CO -0.00 0.29 -0.12 0.00 -3.11 0.00 0.00 179.97 177.03 1sq8 h ALA 8 N 1.21 -0.33 0.00 2.80 0.00 -0.99 -2.78 119.26 119.18 1sq8 h ALA 8 Ca 0.18 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1sq8 h ALA 8 Cb 0.07 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1sq8 h ALA 8 CO -0.11 -0.62 -0.22 -0.09 0.00 0.00 0.00 179.25 178.21 1sq8 h ARG 9 N -0.45 0.00 0.13 0.00 9.65 -0.70 -0.19 114.38 122.82 1sq8 h ARG 9 Ca -0.03 0.00 0.01 0.00 -1.10 0.00 0.00 59.98 58.86 1sq8 h ARG 9 Cb 0.34 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.90 1sq8 h ARG 9 CO 0.06 0.22 -0.18 -0.09 2.80 0.00 0.00 179.97 182.77 1sq8 h ARG 10 N 0.00 -0.35 -0.35 0.20 2.43 -0.46 -2.37 114.38 113.47 1sq8 h ARG 10 Ca -0.00 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1sq8 h ARG 10 Cb 0.40 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 1sq8 h ARG 10 CO 0.03 -0.23 0.19 0.82 -1.51 0.00 0.00 179.97 179.27 1sq8 h ILE 11 N -0.36 1.11 0.00 1.20 1.08 -0.96 0.78 117.51 120.36 1sq8 h ILE 11 Ca 0.02 -0.28 -0.01 0.00 -0.39 0.00 0.00 64.86 64.20 1sq8 h ILE 11 Cb 0.37 0.64 -0.00 0.00 -3.07 0.00 0.00 36.82 34.76 1sq8 h ILE 11 CO -0.08 0.12 -0.03 -0.61 -0.69 0.00 0.00 178.15 176.86 1sq8 h GLN 12 N 0.48 0.00 -0.00 2.37 4.15 -0.73 0.19 115.11 121.58 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 0.01 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.70 1sq8 h GLN 12 CO -0.02 0.03 -0.84 -0.11 -1.93 0.00 0.00 178.83 175.95 1sq8 n LEU 13 N -3.36 1.20 -2.18 -2.39 7.94 -0.40 -5.01 117.00 112.79 1sq8 n LEU 13 Ca -0.02 -0.52 -0.17 0.00 -1.11 0.00 0.00 56.01 54.19 1sq8 n LEU 13 Cb 0.15 -0.02 0.02 0.00 0.53 0.00 0.00 43.42 44.10 1sq8 n LEU 13 CO 0.25 0.27 -0.07 0.61 -1.11 0.00 0.00 177.39 177.34 1sq8 n GLY 14 N 1.48 -0.26 3.60 -3.96 0.00 0.68 -5.03 105.19 101.70 1sq8 n GLY 14 Ca 0.05 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 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 -5.03 2.92 0.51 0.99 2.34 -1.17 -5.00 118.68 114.23 1sq8 s LEU 15 Ca 0.15 -1.01 -0.00 0.00 0.06 0.00 0.00 54.13 53.34 1sq8 s LEU 15 Cb -0.07 -1.29 0.01 0.00 -0.56 0.00 0.00 46.19 44.29 1sq8 s LEU 15 CO 0.19 -0.19 0.74 0.20 -1.06 0.00 0.00 176.35 176.23 1sq8 s ASN 16 N -3.67 5.57 0.19 1.48 0.01 -1.26 -4.45 114.94 112.80 1sq8 s ASN 16 Ca 0.34 0.21 -0.13 0.00 -0.71 0.00 0.00 52.86 52.56 1sq8 s ASN 16 Cb -0.01 -1.28 0.21 0.00 0.41 0.00 0.00 41.25 40.59 1sq8 s ASN 16 CO 0.18 -0.93 1.67 1.56 -1.51 0.00 0.00 177.10 178.08 1sq8 h GLN 17 N 0.20 0.09 -0.60 -0.60 4.20 -1.98 0.23 115.11 116.64 1sq8 h GLN 17 Ca -0.44 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.23 1sq8 h GLN 17 Cb 1.27 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 29.00 1sq8 h GLN 17 CO 0.56 0.06 0.26 0.00 -0.67 0.00 0.00 178.83 179.03 1sq8 h ALA 18 N 1.49 1.32 -0.05 3.87 0.00 -1.94 0.14 119.26 124.08 1sq8 h ALA 18 Ca 0.27 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1sq8 h ALA 18 Cb 0.41 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1sq8 h ALA 18 CO -0.47 0.51 -0.08 0.93 0.00 0.00 0.00 179.25 180.14 1sq8 h GLU 19 N 0.86 0.15 -0.99 0.00 5.08 -1.72 -0.99 114.58 116.96 1sq8 h GLU 19 Ca 0.21 -0.09 0.09 0.00 -1.00 0.00 0.00 59.36 58.57 1sq8 h GLU 19 Cb 0.14 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.33 1sq8 h GLU 19 CO -0.02 0.65 0.63 1.25 -1.00 0.00 0.00 179.01 180.52 1sq8 h LEU 20 N -0.34 0.96 0.75 1.33 5.85 -0.77 -2.36 115.31 120.73 1sq8 h LEU 20 Ca 0.00 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1sq8 h LEU 20 Cb 0.64 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 41.51 1sq8 h LEU 20 CO 0.02 0.57 -0.36 0.00 -0.34 0.00 0.00 178.44 178.33 1sq8 h ALA 21 N 1.49 -1.21 -0.15 1.25 0.00 -0.65 -3.11 119.26 116.88 1sq8 h ALA 21 Ca 0.46 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 55.18 1sq8 h ALA 21 Cb 0.32 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 1sq8 h ALA 21 CO -0.22 -1.13 -0.11 0.37 0.00 0.00 0.00 179.25 178.16 1sq8 h GLN 22 N -1.07 -0.11 0.00 0.00 4.15 -0.92 0.51 115.11 117.67 1sq8 h GLN 22 Ca -0.10 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.32 1sq8 h GLN 22 Cb 0.78 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.49 1sq8 h GLN 22 CO 0.17 -0.07 0.00 1.57 -1.93 0.00 0.00 178.83 178.57 1sq8 h LYS 23 N -0.11 0.00 0.00 1.69 2.10 -1.56 -1.80 116.57 116.89 1sq8 h LYS 23 Ca 0.09 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.74 1sq8 h LYS 23 Cb 0.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 1sq8 h LYS 23 CO -0.22 0.00 -1.52 0.28 -2.00 0.00 0.00 179.45 175.99 1sq8 n VAL 24 N -3.08 0.00 -0.10 0.07 0.31 -0.35 -4.99 118.33 110.18 1sq8 n VAL 24 Ca -0.02 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1sq8 n VAL 24 Cb 0.14 0.44 0.00 0.00 -0.91 0.00 0.00 33.84 33.51 1sq8 n VAL 24 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sq8 n GLY 25 N 1.39 0.54 3.95 2.92 0.00 0.03 -4.89 105.19 109.13 1sq8 n GLY 25 Ca -0.01 0.00 -0.26 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 -2.26 2.19 0.54 1.61 -7.23 -0.75 -4.94 120.40 109.57 1sq8 s VAL 26 Ca 0.00 -0.31 -0.17 0.00 -1.81 0.00 0.00 61.98 59.69 1sq8 s VAL 26 Cb 0.00 -2.88 -0.06 0.00 0.56 0.00 0.00 36.38 34.00 1sq8 s VAL 26 CO 0.00 0.00 1.02 1.51 -0.31 0.00 0.00 175.10 177.32 1sq8 s ASP 27 N -4.66 6.26 0.25 4.85 -4.77 -1.26 -4.10 116.67 113.24 1sq8 s ASP 27 Ca 0.65 1.71 -0.03 0.00 -3.30 0.00 0.00 52.55 51.58 1sq8 s ASP 27 Cb -0.08 -2.52 0.45 0.00 -1.09 0.00 0.00 42.92 39.68 1sq8 s ASP 27 CO 0.46 -0.84 1.79 -0.61 0.70 0.00 0.00 175.17 176.68 1sq8 h GLN 28 N 0.82 0.71 -0.78 2.11 -0.00 -1.88 0.21 115.11 116.30 1sq8 h GLN 28 Ca -0.47 -0.04 0.11 0.00 -0.00 0.00 0.00 58.65 58.24 1sq8 h GLN 28 Cb 1.20 -0.16 -0.08 0.00 0.00 0.00 0.00 27.48 28.45 1sq8 h GLN 28 CO 0.60 0.47 0.42 0.37 0.00 0.00 0.00 178.83 180.68 1sq8 h GLN 29 N 0.73 0.66 -0.60 1.69 4.15 -1.93 -2.33 115.11 117.48 1sq8 h GLN 29 Ca 0.42 -0.04 0.10 0.00 0.77 0.00 0.00 58.65 59.90 1sq8 h GLN 29 Cb 0.47 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 27.97 1sq8 h GLN 29 CO -0.29 0.44 0.40 0.00 -1.93 0.00 0.00 178.83 177.45 1sq8 h ALA 30 N 1.47 2.05 -0.01 3.38 0.00 -1.31 0.36 119.26 125.19 1sq8 h ALA 30 Ca 0.39 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.14 1sq8 h ALA 30 Cb 0.43 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1sq8 h ALA 30 CO -0.28 -0.18 -0.59 0.82 0.00 0.00 0.00 179.25 179.01 1sq8 h ILE 31 N 0.38 1.42 -0.86 0.00 1.08 -1.40 -2.93 117.51 115.20 1sq8 h ILE 31 Ca 0.28 -2.06 -0.01 0.00 -0.39 0.00 0.00 64.86 62.68 1sq8 h ILE 31 Cb 0.58 2.56 -0.04 0.00 -3.07 0.00 0.00 36.82 36.85 1sq8 h ILE 31 CO -0.07 0.60 0.48 -0.08 -0.69 0.00 0.00 178.15 178.38 1sq8 h GLU 32 N -0.08 1.19 -0.61 2.37 4.81 -0.76 0.49 114.58 121.99 1sq8 h GLU 32 Ca -0.07 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 58.95 1sq8 h GLU 32 Cb 1.30 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 1sq8 h GLU 32 CO 0.12 0.87 0.10 -0.56 -0.73 0.00 0.00 179.01 178.80 1sq8 h GLN 33 N 1.20 1.01 -0.20 1.92 3.07 -0.47 -2.69 115.11 118.94 1sq8 h GLN 33 Ca 0.30 -0.27 -0.02 0.00 0.09 0.00 0.00 58.65 58.75 1sq8 h GLN 33 Cb 0.02 -0.12 -0.01 0.00 0.08 0.00 0.00 27.48 27.45 1sq8 h GLN 33 CO -0.05 0.95 0.05 -0.07 0.09 0.00 0.00 178.83 179.80 1sq8 h LEU 34 N 0.92 0.31 -1.19 0.06 3.38 -1.05 0.33 115.31 118.06 1sq8 h LEU 34 Ca 0.19 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1sq8 h LEU 34 Cb 0.43 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1sq8 h LEU 34 CO 0.01 0.47 -0.14 -0.33 0.09 0.00 0.00 178.44 178.54 1sq8 h GLU 35 N 0.14 0.39 -0.45 1.13 5.08 -0.94 0.88 114.58 120.81 1sq8 h GLU 35 Ca 0.06 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1sq8 h GLU 35 Cb 0.28 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1sq8 h GLU 35 CO 0.00 0.53 0.00 0.27 -1.00 0.00 0.00 179.01 178.81 1sq8 n ASN 36 N -4.22 2.33 -0.06 1.42 0.23 -1.02 -3.71 115.26 110.24 1sq8 n ASN 36 Ca 0.00 -2.06 -0.01 0.00 -0.53 0.00 0.00 54.58 51.98 1sq8 n ASN 36 Cb 0.31 -0.31 -0.00 0.00 -2.08 0.00 0.00 39.78 37.70 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 1.04 0.48 0.10 4.83 0.00 0.30 -4.94 105.19 107.00 1sq8 n GLY 37 Ca 0.14 -0.60 -0.08 0.00 0.00 0.00 0.00 46.02 45.48 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 0.40 0.10 -5.58 1.61 1.79 -0.57 -3.40 116.57 110.91 1sq8 h LYS 38 Ca -0.02 -0.13 -0.60 0.00 -2.18 0.00 0.00 60.65 57.72 1sq8 h LYS 38 Cb 0.08 0.04 -0.10 0.00 -1.58 0.00 0.00 32.23 30.67 1sq8 h LYS 38 CO 0.02 0.97 0.16 0.00 -1.08 0.00 0.00 179.45 179.52 1sq8 s ALA 39 N -2.96 3.59 -0.06 3.86 0.00 -1.23 -4.96 121.76 119.99 1sq8 s ALA 39 Ca -0.01 -0.35 -0.06 0.00 0.00 0.00 0.00 51.96 51.53 1sq8 s ALA 39 Cb 0.10 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 1sq8 s ALA 39 CO 0.82 -0.71 0.30 -0.22 0.00 0.00 0.00 175.76 175.95 1sq8 h LYS 40 N 7.72 -0.23 -4.66 0.00 3.11 -1.96 -3.44 116.57 117.12 1sq8 h LYS 40 Ca -0.28 0.02 -0.65 0.00 -2.81 0.00 0.00 60.65 56.92 1sq8 h LYS 40 Cb 1.13 0.05 -0.38 0.00 -1.00 0.00 0.00 32.23 32.03 1sq8 h LYS 40 CO 0.78 -0.15 -0.78 0.50 -2.81 0.00 0.00 179.45 176.99 1sq8 s ARG 41 N -2.29 1.89 0.76 1.90 3.52 -1.26 -5.03 118.95 118.45 1sq8 s ARG 41 Ca -0.03 -1.34 -0.11 0.00 -0.13 0.00 0.00 55.73 54.12 1sq8 s ARG 41 Cb 0.00 -2.84 0.05 0.00 -1.56 0.00 0.00 34.95 30.61 1sq8 s ARG 41 CO 0.10 -0.66 1.09 -1.25 -0.81 0.00 0.00 175.30 173.78 1sq8 s PRO 42 N 1.16 2.30 0.00 5.12 0.04 -1.26 -4.93 135.00 137.43 1sq8 s PRO 42 Ca -0.04 1.19 0.14 0.00 0.04 0.00 0.00 61.00 62.32 1sq8 s PRO 42 Cb -0.19 -1.90 0.60 0.00 0.04 0.00 0.00 34.50 33.05 1sq8 s PRO 42 CO -0.06 -1.61 1.42 2.89 0.04 0.00 0.00 177.00 179.67 1sq8 n ARG 43 N -3.43 0.04 -0.04 4.56 -4.01 -1.26 -3.47 116.66 109.05 1sq8 n ARG 43 Ca 0.09 0.24 0.06 0.00 -1.04 0.00 0.00 57.85 57.20 1sq8 n ARG 43 Cb 0.53 -1.50 0.08 0.00 -3.04 0.00 0.00 32.46 28.53 1sq8 n ARG 43 CO 0.00 0.00 0.00 1.97 -3.04 0.00 0.00 177.63 176.56 1sq8 n PHE 44 N -1.45 0.00 -0.22 2.89 1.16 -1.26 -4.89 117.46 113.68 1sq8 n PHE 44 Ca 0.04 -0.79 -0.00 0.00 -1.87 0.00 0.00 57.45 54.83 1sq8 n PHE 44 Cb 0.15 -0.11 0.11 0.00 -1.61 0.00 0.00 39.48 38.02 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 0.00 0.38 -1.03 5.98 5.85 -1.96 0.39 115.31 124.92 1sq8 h LEU 45 Ca 0.00 0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.68 1sq8 h LEU 45 Cb 0.80 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 1sq8 h LEU 45 CO 0.00 0.23 -0.39 1.55 -0.34 0.00 0.00 178.44 179.49 1sq8 h PRO 46 N 0.53 0.18 -0.27 5.25 0.13 -1.92 -0.41 132.00 135.49 1sq8 h PRO 46 Ca 0.31 -0.08 -0.14 0.00 -0.87 0.00 0.00 66.00 65.22 1sq8 h PRO 46 Cb 0.32 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.44 1sq8 h PRO 46 CO -0.25 0.55 -0.36 0.93 -0.23 0.00 0.00 178.00 178.63 1sq8 h GLU 47 N 0.16 0.73 0.47 0.86 3.07 -1.67 -0.50 114.58 117.70 1sq8 h GLU 47 Ca 0.02 -0.42 -0.01 0.00 -0.50 0.00 0.00 59.36 58.44 1sq8 h GLU 47 Cb 0.76 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.69 1sq8 h GLU 47 CO 0.06 1.04 -0.39 1.25 -1.40 0.00 0.00 179.01 179.57 1sq8 h LEU 48 N 0.47 -1.02 -0.80 1.33 5.85 -0.86 -2.24 115.31 118.04 1sq8 h LEU 48 Ca 0.03 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.85 1sq8 h LEU 48 Cb 0.95 0.33 -0.04 0.00 0.37 0.00 0.00 40.66 42.27 1sq8 h LEU 48 CO 0.09 -0.56 0.52 0.00 -0.34 0.00 0.00 178.44 178.14 1sq8 h ALA 49 N -0.50 1.03 0.07 1.25 0.00 -0.97 0.28 119.26 120.43 1sq8 h ALA 49 Ca -0.05 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1sq8 h ALA 49 Cb 0.74 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1sq8 h ALA 49 CO -0.01 0.37 -0.30 0.00 0.00 0.00 0.00 179.25 179.30 1sq8 h ARG 50 N 1.03 -0.48 -0.05 0.00 2.47 -1.02 0.36 114.38 116.69 1sq8 h ARG 50 Ca 0.31 0.03 -0.12 0.00 -1.26 0.00 0.00 59.98 58.93 1sq8 h ARG 50 Cb -0.05 0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.36 1sq8 h ARG 50 CO -0.09 -0.32 -0.54 0.00 0.56 0.00 0.00 179.97 179.58 1sq8 h ALA 51 N 0.21 1.00 0.00 0.04 0.00 -0.81 -1.70 119.26 118.00 1sq8 h ALA 51 Ca 0.04 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 1sq8 h ALA 51 Cb 0.55 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1sq8 h ALA 51 CO -0.21 0.68 -0.17 -0.07 0.00 0.00 0.00 179.25 179.49 1sq8 h LEU 52 N 0.11 0.00 0.00 0.00 3.38 -0.06 -3.47 115.31 115.26 1sq8 h LEU 52 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sq8 h LEU 52 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1sq8 h LEU 52 CO 0.08 0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.39 1sq8 n GLY 53 N -0.52 1.04 3.35 0.83 0.00 0.10 -4.98 105.19 105.02 1sq8 n GLY 53 Ca -0.01 -0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 0.30 0.46 1.61 -7.23 -0.00 -4.99 120.40 108.54 1sq8 s VAL 54 Ca 0.00 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.08 1sq8 s VAL 54 Cb 0.00 -2.48 -0.05 0.00 0.56 0.00 0.00 36.38 34.40 1sq8 s VAL 54 CO 0.00 0.00 0.82 0.00 -0.31 0.00 0.00 175.10 175.61 1sq8 s ALA 55 N -3.53 3.32 0.35 1.32 0.00 -1.26 -3.75 121.76 118.21 1sq8 s ALA 55 Ca 0.35 -0.26 0.02 0.00 0.00 0.00 0.00 51.96 52.07 1sq8 s ALA 55 Cb 0.04 -2.74 0.63 0.00 0.00 0.00 0.00 23.12 21.06 1sq8 s ALA 55 CO 0.19 -0.21 2.00 0.28 0.00 0.00 0.00 175.76 178.02 1sq8 h VAL 56 N 0.64 1.16 -0.60 0.00 2.07 -1.92 -1.03 116.25 116.57 1sq8 h VAL 56 Ca -0.47 -0.32 0.04 0.00 0.82 0.00 0.00 66.70 66.78 1sq8 h VAL 56 Cb 1.19 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 1sq8 h VAL 56 CO 0.63 0.16 0.34 -0.78 0.02 0.00 0.00 177.57 177.94 1sq8 h ASP 57 N 0.84 0.52 -0.51 0.57 3.58 -1.98 0.16 116.42 119.59 1sq8 h ASP 57 Ca 0.22 0.02 -0.09 0.00 0.42 0.00 0.00 57.03 57.61 1sq8 h ASP 57 Cb -0.07 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 40.87 1sq8 h ASP 57 CO -0.05 0.35 -0.00 -0.25 -2.88 0.00 0.00 179.24 176.41 1sq8 h TRP 58 N 0.65 1.02 -0.57 0.28 7.01 -1.81 0.32 115.95 122.85 1sq8 h TRP 58 Ca 0.26 -0.16 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 1sq8 h TRP 58 Cb 0.12 -0.27 -0.03 0.00 -2.10 0.00 0.00 29.16 26.88 1sq8 h TRP 58 CO -0.08 0.92 0.30 -0.07 -2.79 0.00 0.00 178.44 176.72 1sq8 h LEU 59 N 0.87 0.72 0.11 0.65 3.38 -0.31 0.54 115.31 121.27 1sq8 h LEU 59 Ca 0.16 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1sq8 h LEU 59 Cb 0.52 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1sq8 h LEU 59 CO 0.03 0.62 -0.05 -0.07 0.09 0.00 0.00 178.44 179.06 1sq8 h LEU 60 N 0.77 -0.12 0.05 1.67 3.38 -0.57 -3.42 115.31 117.06 1sq8 h LEU 60 Ca 0.20 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.89 1sq8 h LEU 60 Cb 0.07 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1sq8 h LEU 60 CO -0.03 0.23 -1.51 0.78 0.09 0.00 0.00 178.44 178.00 1sq8 h ASN 61 N -0.78 0.17 0.00 -0.43 2.35 -0.45 -3.46 115.58 112.98 1sq8 h ASN 61 Ca -0.01 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1sq8 h ASN 61 Cb 0.11 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1sq8 h ASN 61 CO 0.02 1.22 0.00 0.61 -1.65 0.00 0.00 177.43 177.63 1sq8 n GLY 62 N 1.58 0.94 2.87 2.83 0.00 0.18 -4.97 105.19 108.63 1sq8 n GLY 62 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1sq8 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32