#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 2.00 0.13 3.17 0.05 -1.26 -4.84 118.68 117.93 1sq8 s LEU 1 Ca 0.00 1.31 -0.24 0.00 0.05 0.00 0.00 54.13 55.25 1sq8 s LEU 1 Cb 0.00 -3.65 -0.03 0.00 -2.05 0.00 0.00 46.19 40.46 1sq8 s LEU 1 CO 0.00 -2.78 1.64 0.24 -0.55 0.00 0.00 176.35 174.90 1sq8 h MET 2 N -1.65 -0.31 -0.37 1.48 2.86 -1.91 -1.78 114.93 113.25 1sq8 h MET 2 Ca -0.51 0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.22 1sq8 h MET 2 Cb 1.30 0.07 -0.09 0.00 0.06 0.00 0.00 31.60 32.95 1sq8 h MET 2 CO 0.57 -0.21 -0.37 0.78 1.06 0.00 0.00 176.91 178.74 1sq8 h GLY 3 N -0.33 -0.39 0.98 8.32 0.00 -1.73 0.15 103.07 110.08 1sq8 h GLY 3 Ca 0.09 0.46 -0.05 0.00 0.00 0.00 0.00 47.33 47.83 1sq8 h GLY 3 CO -0.27 -0.20 0.13 0.83 0.00 0.00 0.00 176.54 177.04 1sq8 h GLU 4 N -0.30 0.82 -0.44 4.80 4.39 -1.77 -0.63 114.58 121.45 1sq8 h GLU 4 Ca 0.15 -0.19 0.07 0.00 0.34 0.00 0.00 59.36 59.73 1sq8 h GLU 4 Cb 0.56 -0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 29.04 1sq8 h GLU 4 CO -0.53 0.78 0.08 -0.09 -1.16 0.00 0.00 179.01 178.08 1sq8 h ARG 5 N 0.71 0.20 0.10 2.33 2.43 -0.44 0.19 114.38 119.91 1sq8 h ARG 5 Ca 0.16 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1sq8 h ARG 5 Cb 0.32 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1sq8 h ARG 5 CO -0.00 0.14 -0.05 0.82 -1.51 0.00 0.00 179.97 179.37 1sq8 h ILE 6 N 0.21 1.06 -0.38 1.20 2.04 -0.56 -1.15 117.51 119.93 1sq8 h ILE 6 Ca 0.22 -0.66 0.02 0.00 1.00 0.00 0.00 64.86 65.44 1sq8 h ILE 6 Cb 0.27 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 1sq8 h ILE 6 CO -0.29 0.16 0.20 -0.09 0.00 0.00 0.00 178.15 178.13 1sq8 h ARG 7 N -0.45 0.39 0.43 2.37 9.65 -0.83 -0.67 114.38 125.27 1sq8 h ARG 7 Ca -0.01 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.82 1sq8 h ARG 7 Cb 0.37 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.86 1sq8 h ARG 7 CO 0.02 0.26 -0.21 0.00 2.80 0.00 0.00 179.97 182.84 1sq8 h ALA 8 N 1.19 -0.59 -0.02 2.80 0.00 -0.57 -1.03 119.26 121.04 1sq8 h ALA 8 Ca 0.16 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1sq8 h ALA 8 Cb 0.05 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1sq8 h ALA 8 CO -0.10 -0.83 -0.54 -0.09 0.00 0.00 0.00 179.25 177.69 1sq8 h ARG 9 N -0.59 0.06 -0.01 0.00 9.65 -1.15 0.24 114.38 122.58 1sq8 h ARG 9 Ca -0.06 -0.04 0.01 0.00 -1.10 0.00 0.00 59.98 58.80 1sq8 h ARG 9 Cb 0.46 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.02 1sq8 h ARG 9 CO 0.09 0.58 -0.07 -0.09 2.80 0.00 0.00 179.97 183.29 1sq8 h ARG 10 N 0.05 -0.11 -0.26 0.20 2.43 -0.86 -0.84 114.38 114.98 1sq8 h ARG 10 Ca -0.00 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 1sq8 h ARG 10 Cb 0.96 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.52 1sq8 h ARG 10 CO 0.07 -0.07 -0.09 0.82 -1.51 0.00 0.00 179.97 179.19 1sq8 h ILE 11 N -0.11 1.21 -0.60 1.20 1.08 -0.86 0.62 117.51 120.04 1sq8 h ILE 11 Ca 0.03 -0.89 -0.00 0.00 -0.39 0.00 0.00 64.86 63.61 1sq8 h ILE 11 Cb 0.16 1.11 -0.03 0.00 -3.07 0.00 0.00 36.82 34.99 1sq8 h ILE 11 CO -0.08 0.29 0.36 -0.61 -0.69 0.00 0.00 178.15 177.42 1sq8 h GLN 12 N 0.40 0.81 0.00 2.37 4.15 -0.17 0.53 115.11 123.20 1sq8 h GLN 12 Ca 0.08 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1sq8 h GLN 12 Cb 0.42 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.94 1sq8 h GLN 12 CO 0.02 0.57 -0.09 -0.11 -1.93 0.00 0.00 178.83 177.29 1sq8 n LEU 13 N -4.41 0.09 -2.65 -2.39 7.94 -0.35 -4.96 117.00 110.26 1sq8 n LEU 13 Ca 0.06 0.41 -0.19 0.00 -1.11 0.00 0.00 56.01 55.18 1sq8 n LEU 13 Cb 0.07 -0.46 0.03 0.00 0.53 0.00 0.00 43.42 43.60 1sq8 n LEU 13 CO 0.36 0.02 0.02 0.61 -1.11 0.00 0.00 177.39 177.29 1sq8 n GLY 14 N 1.50 -0.34 3.76 -3.96 0.00 0.18 -5.02 105.19 101.30 1sq8 n GLY 14 Ca 0.07 0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 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 -5.83 3.38 0.67 0.99 1.43 -0.74 -4.98 118.68 113.61 1sq8 s LEU 15 Ca 0.28 -0.65 -0.05 0.00 -1.03 0.00 0.00 54.13 52.68 1sq8 s LEU 15 Cb -0.12 -1.90 0.06 0.00 0.03 0.00 0.00 46.19 44.26 1sq8 s LEU 15 CO 0.34 -0.25 0.97 0.20 0.23 0.00 0.00 176.35 177.84 1sq8 s ASN 16 N -3.86 4.88 0.14 2.29 0.01 -1.26 -4.47 114.94 112.67 1sq8 s ASN 16 Ca 0.37 0.33 -0.24 0.00 -0.71 0.00 0.00 52.86 52.62 1sq8 s ASN 16 Cb -0.04 -1.02 -0.00 0.00 0.41 0.00 0.00 41.25 40.59 1sq8 s ASN 16 CO 0.23 -1.52 1.63 1.56 -1.51 0.00 0.00 177.10 177.50 1sq8 h GLN 17 N -0.47 -0.28 -0.27 -0.60 4.20 -1.99 -1.76 115.11 113.94 1sq8 h GLN 17 Ca -0.44 0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.26 1sq8 h GLN 17 Cb 1.31 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 29.14 1sq8 h GLN 17 CO 0.58 -0.19 0.04 0.00 -0.67 0.00 0.00 178.83 178.59 1sq8 h ALA 18 N 0.67 1.56 -0.03 3.87 0.00 -1.93 0.81 119.26 124.21 1sq8 h ALA 18 Ca 0.11 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1sq8 h ALA 18 Cb 0.46 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.13 1sq8 h ALA 18 CO -0.32 0.33 -0.33 0.93 0.00 0.00 0.00 179.25 179.86 1sq8 h GLU 19 N 0.39 0.28 -0.98 0.00 5.08 -1.89 0.16 114.58 117.61 1sq8 h GLU 19 Ca 0.09 -0.25 0.11 0.00 -1.00 0.00 0.00 59.36 58.31 1sq8 h GLU 19 Cb 0.20 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.44 1sq8 h GLU 19 CO 0.00 0.93 0.62 1.25 -1.00 0.00 0.00 179.01 180.82 1sq8 h LEU 20 N -0.29 0.91 0.52 1.33 5.85 -1.04 -2.17 115.31 120.42 1sq8 h LEU 20 Ca -0.03 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1sq8 h LEU 20 Cb 1.02 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.91 1sq8 h LEU 20 CO 0.07 0.51 -0.25 0.00 -0.34 0.00 0.00 178.44 178.42 1sq8 h ALA 21 N 1.53 -0.70 -0.61 1.25 0.00 -0.55 -3.14 119.26 117.04 1sq8 h ALA 21 Ca 0.47 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1sq8 h ALA 21 Cb 0.44 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1sq8 h ALA 21 CO -0.23 -0.73 0.21 1.96 0.00 0.00 0.00 179.25 180.46 1sq8 h GLN 22 N -1.04 0.94 0.00 0.00 4.20 -0.59 0.26 115.11 118.87 1sq8 h GLN 22 Ca -0.07 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.45 1sq8 h GLN 22 Cb 0.61 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1sq8 h GLN 22 CO 0.12 0.82 0.00 0.36 -0.67 0.00 0.00 178.83 179.46 1sq8 n LYS 23 N -4.41 0.10 -0.08 1.46 0.00 -0.83 -1.38 118.16 113.03 1sq8 n LYS 23 Ca 0.04 0.15 -0.11 0.00 -0.00 0.00 0.00 58.31 58.39 1sq8 n LYS 23 Cb 0.19 -1.50 -0.15 0.00 -0.00 0.00 0.00 35.03 33.57 1sq8 n LYS 23 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1sq8 n VAL 24 N -1.42 1.48 -0.02 0.58 0.31 -0.55 -4.95 118.33 113.76 1sq8 n VAL 24 Ca 0.06 -0.81 0.00 0.00 -0.01 0.00 0.00 64.34 63.58 1sq8 n VAL 24 Cb 0.19 -0.75 0.00 0.00 -0.91 0.00 0.00 33.84 32.37 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 1.74 0.99 3.99 2.92 0.00 0.79 -4.91 105.19 110.72 1sq8 n GLY 25 Ca -0.29 -0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.53 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 2.66 0.48 1.61 -7.23 -0.56 -4.97 120.40 110.40 1sq8 s VAL 26 Ca 0.00 -1.07 -0.16 0.00 -1.81 0.00 0.00 61.98 58.93 1sq8 s VAL 26 Cb 0.00 -2.73 -0.08 0.00 0.56 0.00 0.00 36.38 34.13 1sq8 s VAL 26 CO 0.00 0.00 0.94 1.51 -0.31 0.00 0.00 175.10 177.24 1sq8 s ASP 27 N -4.40 6.65 0.20 4.85 -4.77 -1.26 -3.81 116.67 114.14 1sq8 s ASP 27 Ca 0.55 1.52 -0.10 0.00 -3.30 0.00 0.00 52.55 51.21 1sq8 s ASP 27 Cb -0.07 -2.48 0.25 0.00 -1.09 0.00 0.00 42.92 39.53 1sq8 s ASP 27 CO 0.33 -0.52 1.75 -0.61 0.70 0.00 0.00 175.17 176.82 1sq8 h GLN 28 N 1.13 0.42 -0.89 2.11 4.15 -1.86 -0.33 115.11 119.84 1sq8 h GLN 28 Ca -0.47 -0.03 0.24 0.00 0.77 0.00 0.00 58.65 59.17 1sq8 h GLN 28 Cb 1.18 -0.10 -0.14 0.00 0.21 0.00 0.00 27.48 28.64 1sq8 h GLN 28 CO 0.62 0.28 0.29 0.37 -1.93 0.00 0.00 178.83 178.46 1sq8 h GLN 29 N 0.43 0.23 -0.60 1.69 -0.00 -1.94 -1.15 115.11 113.78 1sq8 h GLN 29 Ca 0.29 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.92 1sq8 h GLN 29 Cb 0.33 -0.05 -0.03 0.00 0.00 0.00 0.00 27.48 27.73 1sq8 h GLN 29 CO -0.28 0.16 0.33 0.00 0.00 0.00 0.00 178.83 179.03 1sq8 h ALA 30 N 1.78 1.44 -0.39 3.38 0.00 -1.42 -0.22 119.26 123.84 1sq8 h ALA 30 Ca 0.57 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 55.23 1sq8 h ALA 30 Cb 1.17 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1sq8 h ALA 30 CO -0.64 0.46 -0.36 0.82 0.00 0.00 0.00 179.25 179.53 1sq8 h ILE 31 N 0.84 1.27 -0.05 0.00 1.08 -1.19 -1.68 117.51 117.78 1sq8 h ILE 31 Ca 0.21 -1.54 -0.00 0.00 -0.39 0.00 0.00 64.86 63.15 1sq8 h ILE 31 Cb 0.03 1.36 -0.00 0.00 -3.07 0.00 0.00 36.82 35.13 1sq8 h ILE 31 CO -0.03 0.51 0.03 -0.08 -0.69 0.00 0.00 178.15 177.89 1sq8 h GLU 32 N 0.75 0.07 -0.30 2.37 4.57 -0.96 -1.15 114.58 119.93 1sq8 h GLU 32 Ca 0.07 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.18 1sq8 h GLU 32 Cb 0.95 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.51 1sq8 h GLU 32 CO 0.09 0.16 -0.07 -0.56 -1.18 0.00 0.00 179.01 177.45 1sq8 h GLN 33 N -0.03 0.49 -0.33 1.92 3.07 -1.02 -1.37 115.11 117.85 1sq8 h GLN 33 Ca 0.02 -0.12 -0.06 0.00 0.09 0.00 0.00 58.65 58.58 1sq8 h GLN 33 Cb 0.11 -0.06 -0.02 0.00 0.08 0.00 0.00 27.48 27.59 1sq8 h GLN 33 CO -0.00 0.57 -0.05 -0.07 0.09 0.00 0.00 178.83 179.37 1sq8 h LEU 34 N 0.46 0.50 -0.32 0.06 3.38 -1.09 0.30 115.31 118.61 1sq8 h LEU 34 Ca 0.09 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1sq8 h LEU 34 Cb 0.41 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1sq8 h LEU 34 CO 0.02 0.61 0.04 -0.33 0.09 0.00 0.00 178.44 178.87 1sq8 h GLU 35 N 0.50 0.53 -0.00 1.13 5.08 -0.16 -2.87 114.58 118.79 1sq8 h GLU 35 Ca 0.10 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1sq8 h GLU 35 Cb 0.40 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1sq8 h GLU 35 CO 0.02 0.63 -0.03 0.27 -1.00 0.00 0.00 179.01 178.90 1sq8 n ASN 36 N -4.60 0.07 0.00 1.42 0.23 -0.71 -4.20 115.26 107.47 1sq8 n ASN 36 Ca -0.02 -0.13 0.00 0.00 -0.53 0.00 0.00 54.58 53.90 1sq8 n ASN 36 Cb 0.22 -0.27 0.00 0.00 -2.08 0.00 0.00 39.78 37.65 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 1.31 0.83 0.16 4.83 0.00 -0.33 -4.98 105.19 107.01 1sq8 n GLY 37 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.28 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 3.29 0.00 -3.57 1.61 1.79 -0.72 -3.32 116.57 115.65 1sq8 h LYS 38 Ca 0.00 0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.83 1sq8 h LYS 38 Cb 0.00 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 30.24 1sq8 h LYS 38 CO 0.00 0.00 -0.66 0.00 -1.08 0.00 0.00 179.45 177.71 1sq8 s ALA 39 N -3.31 3.12 0.15 3.86 0.00 -1.24 -4.95 121.76 119.40 1sq8 s ALA 39 Ca 0.06 -3.08 -0.14 0.00 0.00 0.00 0.00 51.96 48.80 1sq8 s ALA 39 Cb 0.10 -2.10 0.04 0.00 0.00 0.00 0.00 23.12 21.15 1sq8 s ALA 39 CO 0.50 -1.96 1.72 -0.22 0.00 0.00 0.00 175.76 175.79 1sq8 h LYS 40 N 6.72 0.72 -2.74 0.00 3.11 -1.94 -3.39 116.57 119.05 1sq8 h LYS 40 Ca -0.07 -0.12 -0.60 0.00 -2.81 0.00 0.00 60.65 57.05 1sq8 h LYS 40 Cb 0.92 -0.12 -0.40 0.00 -1.00 0.00 0.00 32.23 31.63 1sq8 h LYS 40 CO 0.64 0.63 -0.80 1.03 -2.81 0.00 0.00 179.45 178.13 1sq8 s ARG 41 N -5.63 1.23 0.43 1.90 3.00 -1.26 -4.98 118.95 113.63 1sq8 s ARG 41 Ca -0.13 -2.13 -0.24 0.00 0.00 0.00 0.00 55.73 53.23 1sq8 s ARG 41 Cb 0.11 -2.05 -0.08 0.00 0.00 0.00 0.00 34.95 32.93 1sq8 s ARG 41 CO 0.77 -1.26 1.12 -1.25 0.00 0.00 0.00 175.30 174.68 1sq8 s PRO 42 N 0.10 3.96 0.00 3.54 0.04 -1.26 -4.91 135.00 136.48 1sq8 s PRO 42 Ca 0.23 1.67 0.01 0.00 0.04 0.00 0.00 61.00 62.95 1sq8 s PRO 42 Cb -0.12 -2.49 0.04 0.00 0.04 0.00 0.00 34.50 31.97 1sq8 s PRO 42 CO -0.08 -0.35 0.34 2.89 0.04 0.00 0.00 177.00 179.84 1sq8 n ARG 43 N -0.25 0.04 -0.07 4.56 1.85 -1.26 -1.67 116.66 119.86 1sq8 n ARG 43 Ca 0.06 0.00 0.01 0.00 -1.00 0.00 0.00 57.85 56.92 1sq8 n ARG 43 Cb 0.49 -1.29 0.01 0.00 -1.05 0.00 0.00 32.46 30.61 1sq8 n ARG 43 CO 0.00 0.00 0.00 1.97 -0.01 0.00 0.00 177.63 179.59 1sq8 n PHE 44 N -0.79 0.00 -0.39 2.89 1.16 -1.26 -4.94 117.46 114.13 1sq8 n PHE 44 Ca 0.01 -0.19 -0.02 0.00 -1.87 0.00 0.00 57.45 55.37 1sq8 n PHE 44 Cb 0.00 -0.03 0.02 0.00 -1.61 0.00 0.00 39.48 37.87 1sq8 n PHE 44 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1sq8 n LEU 45 N -0.22 -0.69 -0.21 5.98 4.77 -0.67 -0.96 117.00 124.99 1sq8 n LEU 45 Ca 0.01 1.74 -0.04 0.00 -0.03 0.00 0.00 56.01 57.69 1sq8 n LEU 45 Cb 0.47 -0.38 0.15 0.00 -2.33 0.00 0.00 43.42 41.32 1sq8 n LEU 45 CO 0.00 -1.55 1.05 1.55 -1.33 0.00 0.00 177.39 177.12 1sq8 h PRO 46 N 0.00 1.02 -0.13 3.23 0.13 -1.92 0.31 132.00 134.64 1sq8 h PRO 46 Ca 0.32 -0.17 -0.02 0.00 -0.87 0.00 0.00 66.00 65.26 1sq8 h PRO 46 Cb 0.57 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 31.53 1sq8 h PRO 46 CO -0.98 0.83 0.01 0.93 -0.23 0.00 0.00 178.00 178.55 1sq8 h GLU 47 N 1.00 0.22 -0.61 0.86 5.08 -1.61 -0.43 114.58 119.09 1sq8 h GLU 47 Ca 0.23 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.45 1sq8 h GLU 47 Cb 0.20 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1sq8 h GLU 47 CO -0.02 0.44 0.08 1.25 -1.00 0.00 0.00 179.01 179.76 1sq8 h LEU 48 N -0.03 0.97 0.64 1.33 6.46 -0.83 -1.37 115.31 122.47 1sq8 h LEU 48 Ca 0.04 -0.23 -0.03 0.00 -0.12 0.00 0.00 57.88 57.54 1sq8 h LEU 48 Cb 0.34 -0.26 0.01 0.00 -0.73 0.00 0.00 40.66 40.02 1sq8 h LEU 48 CO 0.01 0.98 -0.31 0.00 -0.62 0.00 0.00 178.44 178.49 1sq8 h ALA 49 N 1.13 -0.86 -0.61 1.25 0.00 -0.79 0.11 119.26 119.49 1sq8 h ALA 49 Ca 0.19 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1sq8 h ALA 49 Cb 0.44 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1sq8 h ALA 49 CO 0.01 -0.95 0.37 0.00 0.00 0.00 0.00 179.25 178.69 1sq8 h ARG 50 N -0.93 0.83 0.00 0.00 3.08 -0.99 0.14 114.38 116.51 1sq8 h ARG 50 Ca -0.09 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 59.81 1sq8 h ARG 50 Cb 0.68 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1sq8 h ARG 50 CO 0.14 0.60 -0.35 0.00 -1.07 0.00 0.00 179.97 179.29 1sq8 h ALA 51 N 1.19 1.24 0.00 0.04 0.00 -1.24 -2.50 119.26 117.98 1sq8 h ALA 51 Ca 0.22 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1sq8 h ALA 51 Cb -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1sq8 h ALA 51 CO -0.04 0.44 -0.34 1.25 0.00 0.00 0.00 179.25 180.57 1sq8 h LEU 52 N 0.00 0.00 0.00 0.00 5.85 0.19 -3.48 115.31 117.87 1sq8 h LEU 52 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1sq8 h LEU 52 Cb 0.71 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.74 1sq8 h LEU 52 CO 0.05 0.34 0.00 0.61 -0.34 0.00 0.00 178.44 179.09 1sq8 n GLY 53 N 1.05 1.54 3.38 3.75 0.00 0.34 -5.03 105.19 110.21 1sq8 n GLY 53 Ca 0.02 -0.21 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 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 0.38 0.44 1.61 -7.23 -0.35 -5.01 120.40 108.23 1sq8 s VAL 54 Ca 0.00 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.15 1sq8 s VAL 54 Cb 0.00 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.43 1sq8 s VAL 54 CO 0.00 0.00 0.69 0.00 -0.31 0.00 0.00 175.10 175.48 1sq8 s ALA 55 N -3.48 3.55 0.26 1.32 0.00 -1.26 -3.59 121.76 118.56 1sq8 s ALA 55 Ca 0.33 -0.74 -0.03 0.00 0.00 0.00 0.00 51.96 51.52 1sq8 s ALA 55 Cb 0.04 -2.35 0.38 0.00 0.00 0.00 0.00 23.12 21.19 1sq8 s ALA 55 CO 0.18 -0.26 1.88 0.28 0.00 0.00 0.00 175.76 177.83 1sq8 h VAL 56 N 0.41 1.09 -0.95 0.00 2.07 -1.91 0.54 116.25 117.51 1sq8 h VAL 56 Ca -0.48 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 66.67 1sq8 h VAL 56 Cb 1.22 -0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 1sq8 h VAL 56 CO 0.61 0.21 0.63 -0.78 0.02 0.00 0.00 177.57 178.25 1sq8 h ASP 57 N 1.15 1.06 -0.31 0.57 3.58 -1.98 0.19 116.42 120.67 1sq8 h ASP 57 Ca 0.42 -0.02 -0.09 0.00 0.42 0.00 0.00 57.03 57.76 1sq8 h ASP 57 Cb 0.14 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 1sq8 h ASP 57 CO -0.17 0.75 -0.14 -0.25 -2.88 0.00 0.00 179.24 176.55 1sq8 h TRP 58 N 1.24 0.75 -0.64 0.28 7.01 -1.74 0.10 115.95 122.95 1sq8 h TRP 58 Ca 0.36 -0.18 0.04 0.00 2.11 0.00 0.00 58.89 61.22 1sq8 h TRP 58 Cb -0.07 -0.17 -0.04 0.00 -2.10 0.00 0.00 29.16 26.77 1sq8 h TRP 58 CO -0.00 0.87 0.39 -0.07 -2.79 0.00 0.00 178.44 176.83 1sq8 h LEU 59 N 0.41 0.62 -0.02 0.65 3.38 -0.25 0.32 115.31 120.42 1sq8 h LEU 59 Ca 0.07 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1sq8 h LEU 59 Cb 0.66 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1sq8 h LEU 59 CO 0.04 0.42 -0.03 -0.07 0.09 0.00 0.00 178.44 178.89 1sq8 h LEU 60 N 0.75 0.06 0.00 1.67 3.38 -0.58 -3.41 115.31 117.18 1sq8 h LEU 60 Ca 0.27 -0.54 -0.16 0.00 0.09 0.00 0.00 57.88 57.53 1sq8 h LEU 60 Cb 0.06 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1sq8 h LEU 60 CO -0.12 0.59 -1.61 0.59 0.09 0.00 0.00 178.44 177.98 1sq8 n ASN 61 N -4.78 2.90 -0.69 -0.43 3.02 0.34 -4.92 115.26 110.70 1sq8 n ASN 61 Ca -0.08 -0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.46 1sq8 n ASN 61 Cb 0.30 0.55 0.00 0.00 -0.61 0.00 0.00 39.78 40.02 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 2.55 0.51 0.00 7.41 0.00 0.11 -4.78 105.19 111.00 1sq8 n GLY 62 Ca -0.15 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1sq8 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32