#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 2.20 0.06 3.17 1.43 -1.26 -4.88 118.68 119.40 1sq8 s LEU 1 Ca 0.00 0.56 -0.27 0.00 -1.03 0.00 0.00 54.13 53.39 1sq8 s LEU 1 Cb 0.00 -2.69 -0.17 0.00 0.03 0.00 0.00 46.19 43.36 1sq8 s LEU 1 CO 0.00 -2.78 1.59 0.24 0.23 0.00 0.00 176.35 175.63 1sq8 h MET 2 N -1.66 -0.42 -0.35 1.70 2.86 -1.90 -0.39 114.93 114.76 1sq8 h MET 2 Ca -0.46 0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.28 1sq8 h MET 2 Cb 1.28 0.10 -0.09 0.00 0.06 0.00 0.00 31.60 32.95 1sq8 h MET 2 CO 0.47 -0.23 -0.35 0.78 1.06 0.00 0.00 176.91 178.65 1sq8 h GLY 3 N -0.51 -0.35 1.31 8.32 0.00 -1.73 0.19 103.07 110.31 1sq8 h GLY 3 Ca -0.04 0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.68 1sq8 h GLY 3 CO 0.07 -0.21 0.17 -2.09 0.00 0.00 0.00 176.54 174.49 1sq8 h GLU 4 N -0.30 0.87 -0.12 4.80 4.22 -1.76 -0.07 114.58 122.22 1sq8 h GLU 4 Ca 0.15 -0.17 0.03 0.00 0.08 0.00 0.00 59.36 59.46 1sq8 h GLU 4 Cb 0.55 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1sq8 h GLU 4 CO -0.51 0.76 -0.06 0.00 -2.18 0.00 0.00 179.01 177.01 1sq8 h ARG 5 N 0.84 -0.05 -0.14 1.92 3.08 0.06 0.30 114.38 120.40 1sq8 h ARG 5 Ca 0.19 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 1sq8 h ARG 5 Cb 0.26 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 1sq8 h ARG 5 CO -0.01 -0.03 -0.00 0.82 -1.07 0.00 0.00 179.97 179.68 1sq8 h ILE 6 N -0.05 1.26 -0.33 2.04 2.04 -0.68 -0.44 117.51 121.36 1sq8 h ILE 6 Ca 0.07 -0.85 0.01 0.00 1.00 0.00 0.00 64.86 65.09 1sq8 h ILE 6 Cb 0.15 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 1sq8 h ILE 6 CO -0.15 0.25 0.19 -0.09 0.00 0.00 0.00 178.15 178.35 1sq8 h ARG 7 N -0.01 0.38 0.23 2.37 2.43 -0.87 -1.39 114.38 117.52 1sq8 h ARG 7 Ca 0.04 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1sq8 h ARG 7 Cb 0.38 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1sq8 h ARG 7 CO 0.01 0.25 -0.11 0.00 -1.51 0.00 0.00 179.97 178.61 1sq8 h ALA 8 N 1.14 -0.31 -0.42 2.80 0.00 -0.20 0.42 119.26 122.69 1sq8 h ALA 8 Ca 0.13 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1sq8 h ALA 8 Cb -0.00 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1sq8 h ALA 8 CO -0.06 -0.66 -0.10 -0.09 0.00 0.00 0.00 179.25 178.35 1sq8 h ARG 9 N -0.34 0.74 0.50 0.00 1.12 -1.05 0.23 114.38 115.57 1sq8 h ARG 9 Ca -0.03 -0.24 -0.02 0.00 -1.11 0.00 0.00 59.98 58.58 1sq8 h ARG 9 Cb 0.26 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.16 1sq8 h ARG 9 CO 0.05 0.82 -0.24 -0.09 -3.11 0.00 0.00 179.97 177.40 1sq8 h ARG 10 N 0.68 -0.64 -0.34 0.20 2.43 -0.80 -2.82 114.38 113.07 1sq8 h ARG 10 Ca 0.12 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1sq8 h ARG 10 Cb 0.56 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 1sq8 h ARG 10 CO 0.03 -0.40 0.21 0.82 -1.51 0.00 0.00 179.97 179.13 1sq8 h ILE 11 N -0.74 1.10 -0.56 1.20 1.08 -0.74 -0.58 117.51 118.27 1sq8 h ILE 11 Ca -0.07 -0.22 0.01 0.00 -0.39 0.00 0.00 64.86 64.19 1sq8 h ILE 11 Cb 0.55 0.61 -0.03 0.00 -3.07 0.00 0.00 36.82 34.88 1sq8 h ILE 11 CO 0.11 0.10 0.37 -0.61 -0.69 0.00 0.00 178.15 177.44 1sq8 h GLN 12 N 0.47 0.73 0.00 2.37 4.15 -0.47 0.22 115.11 122.57 1sq8 h GLN 12 Ca 0.13 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.50 1sq8 h GLN 12 Cb -0.02 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.50 1sq8 h GLN 12 CO -0.02 0.48 -0.26 -0.11 -1.93 0.00 0.00 178.83 176.99 1sq8 n LEU 13 N -4.45 0.55 -1.30 -2.39 7.94 -0.41 -4.96 117.00 111.98 1sq8 n LEU 13 Ca 0.05 0.37 -0.12 0.00 -1.11 0.00 0.00 56.01 55.20 1sq8 n LEU 13 Cb 0.05 -0.31 -0.02 0.00 0.53 0.00 0.00 43.42 43.68 1sq8 n LEU 13 CO 0.36 -0.06 -0.15 0.61 -1.11 0.00 0.00 177.39 177.04 1sq8 n GLY 14 N 1.39 0.17 3.94 -3.96 0.00 0.06 -5.04 105.19 101.76 1sq8 n GLY 14 Ca 0.05 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.36 3.58 0.60 0.99 1.43 -0.90 -4.97 118.68 116.06 1sq8 s LEU 15 Ca 0.00 0.49 -0.06 0.00 -1.03 0.00 0.00 54.13 53.53 1sq8 s LEU 15 Cb 0.00 -3.36 0.01 0.00 0.03 0.00 0.00 46.19 42.87 1sq8 s LEU 15 CO 0.00 -0.74 0.91 0.20 0.23 0.00 0.00 176.35 176.95 1sq8 s ASN 16 N -4.21 5.52 0.18 2.29 0.01 -1.26 -4.51 114.94 112.96 1sq8 s ASN 16 Ca 0.49 0.68 -0.17 0.00 -0.71 0.00 0.00 52.86 53.15 1sq8 s ASN 16 Cb -0.10 -1.64 0.13 0.00 0.41 0.00 0.00 41.25 40.05 1sq8 s ASN 16 CO 0.40 -1.11 1.64 1.56 -1.51 0.00 0.00 177.10 178.09 1sq8 h GLN 17 N -0.21 -0.05 -0.41 -0.60 4.20 -1.99 -2.19 115.11 113.87 1sq8 h GLN 17 Ca -0.45 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.25 1sq8 h GLN 17 Cb 1.26 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.03 1sq8 h GLN 17 CO 0.60 -0.03 0.20 0.00 -0.67 0.00 0.00 178.83 178.94 1sq8 h ALA 18 N 1.36 1.60 -0.04 3.87 0.00 -1.94 0.83 119.26 124.94 1sq8 h ALA 18 Ca 0.22 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1sq8 h ALA 18 Cb 0.39 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1sq8 h ALA 18 CO -0.50 0.33 -0.08 0.93 0.00 0.00 0.00 179.25 179.93 1sq8 h GLU 19 N 0.56 0.12 -0.90 0.00 4.39 -1.83 0.15 114.58 117.07 1sq8 h GLU 19 Ca 0.14 -0.08 0.08 0.00 0.34 0.00 0.00 59.36 59.85 1sq8 h GLU 19 Cb 0.04 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.64 1sq8 h GLU 19 CO -0.02 0.67 0.58 1.25 -1.16 0.00 0.00 179.01 180.33 1sq8 h LEU 20 N -0.41 0.86 0.70 1.33 5.85 -1.05 -1.31 115.31 121.28 1sq8 h LEU 20 Ca 0.00 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1sq8 h LEU 20 Cb 0.67 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 41.54 1sq8 h LEU 20 CO 0.02 0.53 -0.33 0.00 -0.34 0.00 0.00 178.44 178.31 1sq8 h ALA 21 N 1.53 -1.01 -0.26 1.25 0.00 -0.56 -3.06 119.26 117.16 1sq8 h ALA 21 Ca 0.41 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1sq8 h ALA 21 Cb 0.31 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1sq8 h ALA 21 CO -0.17 -0.94 -0.29 1.96 0.00 0.00 0.00 179.25 179.81 1sq8 h GLN 22 N -1.15 0.51 0.00 0.00 7.50 -0.55 0.37 115.11 121.79 1sq8 h GLN 22 Ca -0.10 -0.21 0.00 0.00 0.50 0.00 0.00 58.65 58.84 1sq8 h GLN 22 Cb 0.72 -0.02 0.00 0.00 0.05 0.00 0.00 27.48 28.23 1sq8 h GLN 22 CO 0.16 0.75 0.00 0.36 -1.50 0.00 0.00 178.83 178.60 1sq8 n LYS 23 N -4.09 0.16 0.03 1.46 0.00 -0.51 -1.37 118.16 113.84 1sq8 n LYS 23 Ca -0.01 0.33 0.11 0.00 -0.00 0.00 0.00 58.31 58.74 1sq8 n LYS 23 Cb 0.44 -1.77 -0.11 0.00 -0.00 0.00 0.00 35.03 33.58 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 -2.07 0.19 -0.48 0.58 0.31 -0.52 -5.01 118.33 111.34 1sq8 n VAL 24 Ca 0.03 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 1sq8 n VAL 24 Cb 0.27 -0.08 0.00 0.00 -0.91 0.00 0.00 33.84 33.12 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 1.24 0.75 4.02 2.92 0.00 0.11 -4.93 105.19 109.30 1sq8 n GLY 25 Ca -0.02 -0.12 -0.18 0.00 0.00 0.00 0.00 46.02 45.70 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 2.67 0.56 1.61 -7.23 -0.14 -4.92 120.40 110.94 1sq8 s VAL 26 Ca 0.00 -0.99 -0.17 0.00 -1.81 0.00 0.00 61.98 59.01 1sq8 s VAL 26 Cb 0.00 -2.68 -0.06 0.00 0.56 0.00 0.00 36.38 34.20 1sq8 s VAL 26 CO 0.00 0.00 1.03 1.51 -0.31 0.00 0.00 175.10 177.33 1sq8 s ASP 27 N -4.47 6.09 0.26 4.85 -4.77 -1.26 -3.87 116.67 113.50 1sq8 s ASP 27 Ca 0.58 1.77 -0.05 0.00 -3.30 0.00 0.00 52.55 51.54 1sq8 s ASP 27 Cb -0.08 -2.53 0.30 0.00 -1.09 0.00 0.00 42.92 39.51 1sq8 s ASP 27 CO 0.35 -0.95 1.93 -0.61 0.70 0.00 0.00 175.17 176.59 1sq8 h GLN 28 N 0.75 1.28 -0.88 2.11 4.15 -1.88 -1.64 115.11 119.00 1sq8 h GLN 28 Ca -0.47 -0.08 0.21 0.00 0.77 0.00 0.00 58.65 59.08 1sq8 h GLN 28 Cb 1.21 -0.29 -0.12 0.00 0.21 0.00 0.00 27.48 28.49 1sq8 h GLN 28 CO 0.59 0.85 0.38 0.37 -1.93 0.00 0.00 178.83 179.09 1sq8 h GLN 29 N 1.32 0.40 -0.81 1.69 4.15 -1.95 0.13 115.11 120.04 1sq8 h GLN 29 Ca 0.37 -0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.84 1sq8 h GLN 29 Cb -0.11 -0.09 -0.05 0.00 0.21 0.00 0.00 27.48 27.44 1sq8 h GLN 29 CO -0.09 0.27 0.53 0.00 -1.93 0.00 0.00 178.83 177.61 1sq8 h ALA 30 N 1.68 1.63 -0.04 3.38 0.00 -1.67 0.27 119.26 124.52 1sq8 h ALA 30 Ca 0.54 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 55.17 1sq8 h ALA 30 Cb 0.98 -0.22 0.02 0.00 0.00 0.00 0.00 17.79 18.57 1sq8 h ALA 30 CO -0.51 0.23 -0.97 0.82 0.00 0.00 0.00 179.25 178.83 1sq8 h ILE 31 N 0.86 1.28 -0.06 0.00 1.08 -1.00 -2.59 117.51 117.08 1sq8 h ILE 31 Ca 0.35 -2.17 -0.01 0.00 -0.39 0.00 0.00 64.86 62.65 1sq8 h ILE 31 Cb 0.27 2.29 -0.00 0.00 -3.07 0.00 0.00 36.82 36.30 1sq8 h ILE 31 CO -0.13 0.67 0.02 -0.08 -0.69 0.00 0.00 178.15 177.95 1sq8 h GLU 32 N 0.42 0.10 -0.38 2.37 4.57 -1.00 0.10 114.58 120.76 1sq8 h GLU 32 Ca -0.11 -0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 57.99 1sq8 h GLU 32 Cb 1.61 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 30.17 1sq8 h GLU 32 CO 0.19 0.27 -0.01 -0.56 -1.18 0.00 0.00 179.01 177.72 1sq8 h GLN 33 N -0.09 0.60 -0.50 1.92 3.07 -1.05 -2.10 115.11 116.96 1sq8 h GLN 33 Ca 0.02 -0.14 -0.10 0.00 0.09 0.00 0.00 58.65 58.52 1sq8 h GLN 33 Cb 0.21 -0.08 -0.02 0.00 0.08 0.00 0.00 27.48 27.67 1sq8 h GLN 33 CO -0.00 0.63 -0.11 -0.07 0.09 0.00 0.00 178.83 179.37 1sq8 h LEU 34 N 0.57 0.92 -0.89 0.06 3.38 -1.13 0.37 115.31 118.59 1sq8 h LEU 34 Ca 0.12 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 57.85 1sq8 h LEU 34 Cb 0.38 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 1sq8 h LEU 34 CO 0.01 1.04 0.56 -0.33 0.09 0.00 0.00 178.44 179.81 1sq8 h GLU 35 N 0.83 1.03 -0.00 1.13 5.08 -0.42 -1.42 114.58 120.80 1sq8 h GLU 35 Ca 0.13 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1sq8 h GLU 35 Cb 0.64 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1sq8 h GLU 35 CO 0.04 0.68 -0.15 0.27 -1.00 0.00 0.00 179.01 178.86 1sq8 n ASN 36 N -4.57 0.52 0.00 1.42 0.23 -0.84 -4.21 115.26 107.81 1sq8 n ASN 36 Ca 0.12 -0.53 0.00 0.00 -0.53 0.00 0.00 54.58 53.64 1sq8 n ASN 36 Cb 0.14 -0.05 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 1.31 0.69 0.00 4.83 0.00 -0.24 -4.96 105.19 106.82 1sq8 n GLY 37 Ca 0.13 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.25 1sq8 n GLY 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sq8 n LYS 38 N -2.06 0.03 -3.69 1.61 4.76 0.12 -4.03 118.16 114.90 1sq8 n LYS 38 Ca 0.00 0.15 -0.38 0.00 -2.87 0.00 0.00 58.31 55.21 1sq8 n LYS 38 Cb 0.00 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 31.58 1sq8 n LYS 38 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1sq8 s ALA 39 N -2.95 3.19 0.02 7.82 0.00 -1.25 -4.94 121.76 123.65 1sq8 s ALA 39 Ca 0.11 -2.19 -0.29 0.00 0.00 0.00 0.00 51.96 49.58 1sq8 s ALA 39 Cb 0.13 -2.49 -0.16 0.00 0.00 0.00 0.00 23.12 20.59 1sq8 s ALA 39 CO 0.36 -1.64 1.22 -0.22 0.00 0.00 0.00 175.76 175.48 1sq8 h LYS 40 N 8.26 -1.02 -2.12 0.00 3.11 -1.96 -3.42 116.57 119.42 1sq8 h LYS 40 Ca -0.20 0.07 -0.52 0.00 -2.81 0.00 0.00 60.65 57.19 1sq8 h LYS 40 Cb 1.07 0.23 -0.35 0.00 -1.00 0.00 0.00 32.23 32.19 1sq8 h LYS 40 CO 0.71 -0.68 -0.91 -2.13 -2.81 0.00 0.00 179.45 173.63 1sq8 n ARG 41 N -5.45 0.27 -1.61 1.90 0.63 -1.26 -5.06 116.66 106.07 1sq8 n ARG 41 Ca -0.13 -2.99 -0.31 0.00 -0.92 0.00 0.00 57.85 53.49 1sq8 n ARG 41 Cb 0.42 -1.61 0.05 0.00 0.45 0.00 0.00 32.46 31.76 1sq8 n ARG 41 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1sq8 s PRO 42 N 0.12 2.91 0.44 -0.14 0.04 -1.26 -4.95 135.00 132.16 1sq8 s PRO 42 Ca 0.33 1.03 0.12 0.00 0.04 0.00 0.00 61.00 62.52 1sq8 s PRO 42 Cb 0.04 -1.98 1.01 0.00 0.04 0.00 0.00 34.50 33.61 1sq8 s PRO 42 CO -0.17 -1.12 2.03 0.07 0.04 0.00 0.00 177.00 177.84 1sq8 h ARG 43 N -0.57 0.39 -0.00 4.56 0.11 -2.01 -1.92 114.38 114.93 1sq8 h ARG 43 Ca -0.44 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.61 1sq8 h ARG 43 Cb 1.21 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.21 1sq8 h ARG 43 CO 0.56 0.26 -0.22 1.97 0.10 0.00 0.00 179.97 182.64 1sq8 n PHE 44 N -4.48 0.00 -0.29 4.08 1.16 -1.26 -4.62 117.46 112.06 1sq8 n PHE 44 Ca 0.06 0.00 0.10 0.00 -1.87 0.00 0.00 57.45 55.74 1sq8 n PHE 44 Cb 0.24 -0.20 0.24 0.00 -1.61 0.00 0.00 39.48 38.15 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 0.63 -0.16 -1.28 5.98 5.85 -1.72 0.21 115.31 124.82 1sq8 h LEU 45 Ca 0.00 0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 1sq8 h LEU 45 Cb 0.44 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 1sq8 h LEU 45 CO 0.00 -0.18 0.11 1.55 -0.34 0.00 0.00 178.44 179.58 1sq8 h PRO 46 N 0.16 0.60 0.07 5.25 0.13 -1.84 -0.52 132.00 135.84 1sq8 h PRO 46 Ca 0.50 -0.10 -0.24 0.00 -0.87 0.00 0.00 66.00 65.29 1sq8 h PRO 46 Cb 0.97 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.99 1sq8 h PRO 46 CO -0.68 0.54 -1.08 0.93 -0.23 0.00 0.00 178.00 177.48 1sq8 h GLU 47 N 0.59 0.26 0.08 0.86 4.39 -1.35 -0.95 114.58 118.47 1sq8 h GLU 47 Ca 0.14 -0.37 -0.00 0.00 0.34 0.00 0.00 59.36 59.46 1sq8 h GLU 47 Cb 0.21 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1sq8 h GLU 47 CO -0.00 1.12 -0.04 1.25 -1.16 0.00 0.00 179.01 180.18 1sq8 h LEU 48 N 0.11 -0.09 -0.76 1.33 6.46 -1.02 -1.34 115.31 119.99 1sq8 h LEU 48 Ca -0.09 -0.02 0.05 0.00 -0.12 0.00 0.00 57.88 57.69 1sq8 h LEU 48 Cb 1.78 0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 41.68 1sq8 h LEU 48 CO 0.18 -0.04 0.46 0.00 -0.62 0.00 0.00 178.44 178.42 1sq8 h ALA 49 N 0.78 1.02 -0.19 1.25 0.00 -1.01 0.22 119.26 121.33 1sq8 h ALA 49 Ca -0.01 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1sq8 h ALA 49 Cb 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1sq8 h ALA 49 CO 0.02 0.19 0.07 -0.09 0.00 0.00 0.00 179.25 179.44 1sq8 h ARG 50 N 0.85 0.17 0.00 0.00 2.43 -1.04 0.15 114.38 116.94 1sq8 h ARG 50 Ca 0.33 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.42 1sq8 h ARG 50 Cb 0.14 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1sq8 h ARG 50 CO -0.16 0.11 -0.33 0.00 -1.51 0.00 0.00 179.97 178.08 1sq8 h ALA 51 N 1.11 0.95 -0.15 2.80 0.00 -0.59 -2.28 119.26 121.10 1sq8 h ALA 51 Ca 0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1sq8 h ALA 51 Cb 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1sq8 h ALA 51 CO -0.08 0.41 0.03 1.25 0.00 0.00 0.00 179.25 180.87 1sq8 h LEU 52 N 0.00 0.24 -1.00 0.00 5.85 -0.31 -3.49 115.31 116.60 1sq8 h LEU 52 Ca -0.00 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1sq8 h LEU 52 Cb 0.92 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.88 1sq8 h LEU 52 CO 0.04 0.41 0.00 0.61 -0.34 0.00 0.00 178.44 179.17 1sq8 n GLY 53 N -0.49 0.62 3.41 3.75 0.00 0.39 -5.03 105.19 107.84 1sq8 n GLY 53 Ca -0.05 -0.34 -0.15 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.05 0.00 0.46 1.61 -7.23 -0.39 -5.03 120.40 107.77 1sq8 s VAL 54 Ca 0.00 -1.73 -0.03 0.00 -1.81 0.00 0.00 61.98 58.41 1sq8 s VAL 54 Cb 0.00 -2.53 -0.02 0.00 0.56 0.00 0.00 36.38 34.39 1sq8 s VAL 54 CO 0.00 0.00 0.73 0.00 -0.31 0.00 0.00 175.10 175.52 1sq8 s ALA 55 N -3.46 3.54 0.42 1.32 0.00 -1.26 -3.94 121.76 118.39 1sq8 s ALA 55 Ca 0.33 -0.78 0.11 0.00 0.00 0.00 0.00 51.96 51.62 1sq8 s ALA 55 Cb 0.01 -2.37 0.94 0.00 0.00 0.00 0.00 23.12 21.71 1sq8 s ALA 55 CO 0.19 -0.37 2.01 0.28 0.00 0.00 0.00 175.76 177.87 1sq8 h VAL 56 N 0.31 0.98 -0.43 0.00 2.07 -1.90 -1.11 116.25 116.18 1sq8 h VAL 56 Ca -0.47 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 1sq8 h VAL 56 Cb 1.23 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1sq8 h VAL 56 CO 0.60 0.09 0.05 -0.78 0.02 0.00 0.00 177.57 177.55 1sq8 h ASP 57 N 0.49 0.62 -0.16 0.57 3.58 -1.98 0.26 116.42 119.79 1sq8 h ASP 57 Ca 0.23 -0.12 -0.05 0.00 0.42 0.00 0.00 57.03 57.51 1sq8 h ASP 57 Cb 0.29 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.17 1sq8 h ASP 57 CO -0.06 0.66 -0.10 -0.25 -2.88 0.00 0.00 179.24 176.60 1sq8 h TRP 58 N 0.63 0.42 -0.62 0.28 7.01 -1.82 0.06 115.95 121.91 1sq8 h TRP 58 Ca 0.14 -0.11 0.06 0.00 2.11 0.00 0.00 58.89 61.09 1sq8 h TRP 58 Cb 0.32 -0.09 -0.05 0.00 -2.10 0.00 0.00 29.16 27.23 1sq8 h TRP 58 CO 0.01 0.69 0.33 -0.07 -2.79 0.00 0.00 178.44 176.61 1sq8 h LEU 59 N 0.02 0.47 0.60 0.65 3.38 -0.42 0.30 115.31 120.30 1sq8 h LEU 59 Ca 0.03 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1sq8 h LEU 59 Cb 0.59 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.30 1sq8 h LEU 59 CO 0.03 0.30 -0.29 -0.07 0.09 0.00 0.00 178.44 178.50 1sq8 h LEU 60 N 0.60 -0.68 0.00 1.67 3.38 -0.54 -3.41 115.31 116.33 1sq8 h LEU 60 Ca 0.28 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1sq8 h LEU 60 Cb 0.20 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1sq8 h LEU 60 CO -0.19 -0.30 -1.50 0.59 0.09 0.00 0.00 178.44 177.14 1sq8 n ASN 61 N -5.20 1.49 -3.32 -0.43 3.02 0.00 -4.89 115.26 105.93 1sq8 n ASN 61 Ca -0.10 -0.14 -0.18 0.00 -0.03 0.00 0.00 54.58 54.13 1sq8 n ASN 61 Cb 0.32 1.55 0.06 0.00 -0.61 0.00 0.00 39.78 41.10 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 1.61 -1.14 1.72 7.41 0.00 0.10 -5.00 105.19 109.89 1sq8 n GLY 62 Ca -0.02 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.57 1sq8 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32