#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 0.01 -0.89 4.77 -1.26 -5.04 117.00 114.59 1sq8 n LEU 1 Ca 0.00 -2.01 -0.10 0.00 -0.03 0.00 0.00 56.01 53.87 1sq8 n LEU 1 Cb 0.00 1.19 -0.03 0.00 -2.33 0.00 0.00 43.42 42.25 1sq8 n LEU 1 CO 0.00 -0.36 0.71 0.24 -1.33 0.00 0.00 177.39 176.65 1sq8 h MET 2 N 0.00 -0.29 0.22 3.23 2.86 -1.85 -1.38 114.93 117.72 1sq8 h MET 2 Ca -0.16 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1sq8 h MET 2 Cb 0.78 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.49 1sq8 h MET 2 CO 0.22 -0.19 -0.19 0.78 1.06 0.00 0.00 176.91 178.59 1sq8 h GLY 3 N -0.30 -0.43 0.73 8.32 0.00 -1.72 0.30 103.07 109.97 1sq8 h GLY 3 Ca 0.09 0.22 0.05 0.00 0.00 0.00 0.00 47.33 47.69 1sq8 h GLY 3 CO -0.27 -0.19 0.35 0.83 0.00 0.00 0.00 176.54 177.26 1sq8 h GLU 4 N -0.43 0.64 -0.59 4.80 5.08 -1.70 0.29 114.58 122.67 1sq8 h GLU 4 Ca -0.01 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1sq8 h GLU 4 Cb 0.39 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1sq8 h GLU 4 CO -0.03 0.43 0.34 -0.09 -1.00 0.00 0.00 179.01 178.66 1sq8 h ARG 5 N 0.66 0.82 0.24 2.33 2.43 -0.79 0.19 114.38 120.27 1sq8 h ARG 5 Ca 0.27 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1sq8 h ARG 5 Cb 0.14 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1sq8 h ARG 5 CO -0.16 0.61 -0.12 0.82 -1.51 0.00 0.00 179.97 179.61 1sq8 h ILE 6 N 0.80 0.78 -0.45 1.20 2.04 -0.07 -1.90 117.51 119.91 1sq8 h ILE 6 Ca 0.21 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 66.03 1sq8 h ILE 6 Cb 0.02 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 1sq8 h ILE 6 CO -0.04 0.02 0.23 -0.09 0.00 0.00 0.00 178.15 178.27 1sq8 h ARG 7 N -0.36 0.45 0.10 2.37 2.43 -0.54 -0.54 114.38 118.30 1sq8 h ARG 7 Ca -0.03 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1sq8 h ARG 7 Cb 0.28 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 1sq8 h ARG 7 CO 0.05 0.30 -0.30 0.00 -1.51 0.00 0.00 179.97 178.51 1sq8 h ALA 8 N 1.23 -0.51 -0.70 2.80 0.00 -0.52 0.10 119.26 121.67 1sq8 h ALA 8 Ca 0.19 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1sq8 h ALA 8 Cb 0.08 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1sq8 h ALA 8 CO -0.12 -0.84 0.26 -0.09 0.00 0.00 0.00 179.25 178.46 1sq8 h ARG 9 N -0.51 1.06 -0.20 0.00 1.12 -1.14 0.97 114.38 115.68 1sq8 h ARG 9 Ca 0.04 -0.20 0.05 0.00 -1.11 0.00 0.00 59.98 58.76 1sq8 h ARG 9 Cb 0.55 -0.17 -0.06 0.00 -0.01 0.00 0.00 29.97 30.29 1sq8 h ARG 9 CO -0.19 0.89 -0.15 -0.09 -3.11 0.00 0.00 179.97 177.31 1sq8 h ARG 10 N 1.01 -0.15 -0.18 0.20 2.43 -0.31 -2.55 114.38 114.81 1sq8 h ARG 10 Ca 0.23 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.32 1sq8 h ARG 10 Cb 0.23 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1sq8 h ARG 10 CO -0.02 -0.10 -0.31 0.82 -1.51 0.00 0.00 179.97 178.85 1sq8 h ILE 11 N -0.16 1.27 -0.05 1.20 1.08 -0.44 0.57 117.51 120.99 1sq8 h ILE 11 Ca 0.12 -1.33 0.01 0.00 -0.39 0.00 0.00 64.86 63.27 1sq8 h ILE 11 Cb 0.34 1.48 -0.00 0.00 -3.07 0.00 0.00 36.82 35.56 1sq8 h ILE 11 CO -0.29 0.41 0.11 -0.61 -0.69 0.00 0.00 178.15 177.07 1sq8 h GLN 12 N 0.32 0.00 -0.01 2.37 4.15 -0.47 0.35 115.11 121.81 1sq8 h GLN 12 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.46 1sq8 h GLN 12 Cb 0.71 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.40 1sq8 h GLN 12 CO 0.05 0.00 -0.25 -0.11 -1.93 0.00 0.00 178.83 176.60 1sq8 n LEU 13 N -3.41 1.90 -0.19 -2.39 7.94 -0.47 -4.99 117.00 115.39 1sq8 n LEU 13 Ca -0.02 -0.83 -0.02 0.00 -1.11 0.00 0.00 56.01 54.03 1sq8 n LEU 13 Cb 0.19 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.13 1sq8 n LEU 13 CO 0.23 0.35 -0.02 0.61 -1.11 0.00 0.00 177.39 177.44 1sq8 n GLY 14 N 1.12 0.43 3.90 -3.96 0.00 0.11 -4.98 105.19 101.81 1sq8 n GLY 14 Ca 0.08 -0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.56 3.17 0.37 0.99 1.43 0.04 -4.90 118.68 119.23 1sq8 s LEU 15 Ca 0.00 0.96 0.07 0.00 -1.03 0.00 0.00 54.13 54.13 1sq8 s LEU 15 Cb 0.00 -3.81 -0.01 0.00 0.03 0.00 0.00 46.19 42.40 1sq8 s LEU 15 CO 0.00 -1.07 0.47 0.20 0.23 0.00 0.00 176.35 176.18 1sq8 s ASN 16 N -4.28 5.70 0.12 2.29 0.01 -1.26 -4.43 114.94 113.09 1sq8 s ASN 16 Ca 0.55 -0.35 -0.26 0.00 -0.71 0.00 0.00 52.86 52.09 1sq8 s ASN 16 Cb -0.11 -0.96 -0.07 0.00 0.41 0.00 0.00 41.25 40.52 1sq8 s ASN 16 CO 0.48 -0.54 1.64 1.56 -1.51 0.00 0.00 177.10 178.73 1sq8 h GLN 17 N 0.87 -0.40 -0.48 -0.60 4.20 -1.98 -1.96 115.11 114.77 1sq8 h GLN 17 Ca -0.43 0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.27 1sq8 h GLN 17 Cb 1.26 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 29.11 1sq8 h GLN 17 CO 0.51 -0.26 0.14 0.00 -0.67 0.00 0.00 178.83 178.55 1sq8 h ALA 18 N 0.39 1.35 -0.46 3.87 0.00 -1.92 0.49 119.26 122.97 1sq8 h ALA 18 Ca 0.05 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1sq8 h ALA 18 Cb 0.47 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1sq8 h ALA 18 CO -0.18 0.47 -0.08 0.93 0.00 0.00 0.00 179.25 180.40 1sq8 h GLU 19 N 0.70 0.86 -0.03 0.00 4.39 -1.88 0.19 114.58 118.82 1sq8 h GLU 19 Ca 0.16 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.55 1sq8 h GLU 19 Cb 0.22 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1sq8 h GLU 19 CO -0.01 0.95 -0.00 1.25 -1.16 0.00 0.00 179.01 180.04 1sq8 h LEU 20 N 0.71 -0.02 -0.26 1.33 5.85 -1.04 -3.16 115.31 118.71 1sq8 h LEU 20 Ca 0.12 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.90 1sq8 h LEU 20 Cb 0.61 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 1sq8 h LEU 20 CO 0.04 -0.01 -0.03 0.00 -0.34 0.00 0.00 178.44 178.10 1sq8 h ALA 21 N 1.03 0.21 0.04 1.25 0.00 -0.14 -2.17 119.26 119.48 1sq8 h ALA 21 Ca 0.01 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1sq8 h ALA 21 Cb 0.02 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1sq8 h ALA 21 CO -0.03 -0.44 -0.25 1.96 0.00 0.00 0.00 179.25 180.49 1sq8 h GLN 22 N 0.04 -0.40 -0.20 0.00 4.20 -0.69 0.71 115.11 118.78 1sq8 h GLN 22 Ca 0.13 0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.79 1sq8 h GLN 22 Cb 0.18 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1sq8 h GLN 22 CO -0.24 -0.27 -0.22 1.57 -0.67 0.00 0.00 178.83 179.00 1sq8 h LYS 23 N -0.42 0.35 0.01 1.46 2.10 -1.47 -2.77 116.57 115.83 1sq8 h LYS 23 Ca 0.05 -0.12 -0.00 0.00 -2.00 0.00 0.00 60.65 58.58 1sq8 h LYS 23 Cb 0.48 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 1sq8 h LYS 23 CO -0.19 0.56 -0.01 0.28 -2.00 0.00 0.00 179.45 178.09 1sq8 h VAL 24 N 0.32 1.52 0.00 0.07 2.07 -1.08 -3.49 116.25 115.66 1sq8 h VAL 24 Ca 0.05 -1.70 0.00 0.00 0.82 0.00 0.00 66.70 65.87 1sq8 h VAL 24 Cb 0.57 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 33.00 1sq8 h VAL 24 CO 0.04 0.43 0.00 0.61 0.02 0.00 0.00 177.57 178.67 1sq8 n GLY 25 N 0.92 0.15 3.97 2.17 0.00 0.10 -4.90 105.19 107.59 1sq8 n GLY 25 Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.01 1.78 0.48 1.61 -7.23 -0.37 -4.98 120.40 110.68 1sq8 s VAL 26 Ca 0.00 -1.28 -0.14 0.00 -1.81 0.00 0.00 61.98 58.75 1sq8 s VAL 26 Cb 0.00 -2.06 -0.07 0.00 0.56 0.00 0.00 36.38 34.81 1sq8 s VAL 26 CO 0.00 0.00 0.91 -1.81 -0.31 0.00 0.00 175.10 173.89 1sq8 s ASP 27 N -4.47 6.56 0.25 4.85 1.11 -1.26 -4.21 116.67 119.48 1sq8 s ASP 27 Ca 0.46 1.39 -0.04 0.00 0.18 0.00 0.00 52.55 54.53 1sq8 s ASP 27 Cb -0.04 -2.43 0.39 0.00 1.07 0.00 0.00 42.92 41.91 1sq8 s ASP 27 CO 0.29 -0.54 1.82 -0.61 1.18 0.00 0.00 175.17 177.31 1sq8 h GLN 28 N 0.95 0.79 -0.77 8.23 4.15 -1.88 -1.55 115.11 125.05 1sq8 h GLN 28 Ca -0.47 -0.05 0.11 0.00 0.77 0.00 0.00 58.65 59.01 1sq8 h GLN 28 Cb 1.19 -0.18 -0.08 0.00 0.21 0.00 0.00 27.48 28.62 1sq8 h GLN 28 CO 0.62 0.53 0.39 0.37 -1.93 0.00 0.00 178.83 178.81 1sq8 h GLN 29 N 0.82 0.61 -0.22 1.69 4.15 -1.94 -0.87 115.11 119.34 1sq8 h GLN 29 Ca 0.40 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.77 1sq8 h GLN 29 Cb 0.34 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 1sq8 h GLN 29 CO -0.24 0.40 0.09 0.00 -1.93 0.00 0.00 178.83 177.16 1sq8 h ALA 30 N 1.47 1.75 -0.10 3.38 0.00 -1.66 0.10 119.26 124.20 1sq8 h ALA 30 Ca 0.39 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 1sq8 h ALA 30 Cb 0.46 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1sq8 h ALA 30 CO -0.30 0.21 -0.22 0.82 0.00 0.00 0.00 179.25 179.76 1sq8 h ILE 31 N 0.31 1.39 -0.26 0.00 1.08 -1.09 -2.59 117.51 116.36 1sq8 h ILE 31 Ca 0.08 -1.52 -0.01 0.00 -0.39 0.00 0.00 64.86 63.02 1sq8 h ILE 31 Cb 0.06 2.12 -0.01 0.00 -3.07 0.00 0.00 36.82 35.92 1sq8 h ILE 31 CO -0.01 0.44 0.12 -0.08 -0.69 0.00 0.00 178.15 177.93 1sq8 h GLU 32 N -0.11 0.37 -0.41 2.37 4.57 -0.74 0.37 114.58 121.01 1sq8 h GLU 32 Ca 0.00 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.07 1sq8 h GLU 32 Cb 0.82 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.32 1sq8 h GLU 32 CO 0.05 0.37 0.00 -0.56 -1.18 0.00 0.00 179.01 177.69 1sq8 h GLN 33 N 0.28 0.65 -0.75 1.92 3.07 -0.92 -0.97 115.11 118.39 1sq8 h GLN 33 Ca 0.09 -0.16 -0.06 0.00 0.09 0.00 0.00 58.65 58.61 1sq8 h GLN 33 Cb 0.12 -0.09 -0.03 0.00 0.08 0.00 0.00 27.48 27.56 1sq8 h GLN 33 CO -0.01 0.67 0.23 -0.07 0.09 0.00 0.00 178.83 179.74 1sq8 h LEU 34 N 0.62 1.08 -1.06 0.06 3.38 -1.01 0.20 115.31 118.59 1sq8 h LEU 34 Ca 0.13 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 57.96 1sq8 h LEU 34 Cb 0.38 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.78 1sq8 h LEU 34 CO 0.01 1.00 0.63 -0.33 0.09 0.00 0.00 178.44 179.85 1sq8 h GLU 35 N 1.11 1.09 -0.02 1.13 5.08 -0.06 0.20 114.58 123.10 1sq8 h GLU 35 Ca 0.24 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1sq8 h GLU 35 Cb 0.30 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1sq8 h GLU 35 CO -0.01 0.72 0.00 0.09 -1.00 0.00 0.00 179.01 178.81 1sq8 n ASN 36 N -4.50 0.29 -0.95 1.42 3.02 -0.45 -4.19 115.26 109.90 1sq8 n ASN 36 Ca 0.15 -1.41 -0.12 0.00 -0.03 0.00 0.00 54.58 53.16 1sq8 n ASN 36 Cb 0.19 -0.02 -0.05 0.00 -0.61 0.00 0.00 39.78 39.30 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 0.88 1.29 0.19 7.41 0.00 0.05 -4.89 105.19 110.12 1sq8 n GLY 37 Ca 0.16 -0.25 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 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 0.05 0.66 -4.96 1.61 1.57 -0.86 -3.35 116.57 111.28 1sq8 h LYS 38 Ca -0.25 -0.57 -0.71 0.00 -1.87 0.00 0.00 60.65 57.25 1sq8 h LYS 38 Cb 0.94 0.13 -0.17 0.00 0.08 0.00 0.00 32.23 33.21 1sq8 h LYS 38 CO 0.37 1.18 1.15 0.00 -0.57 0.00 0.00 179.45 181.58 1sq8 s ALA 39 N -3.63 3.64 0.13 3.86 0.00 -1.25 -4.89 121.76 119.63 1sq8 s ALA 39 Ca -0.11 -3.04 -0.15 0.00 0.00 0.00 0.00 51.96 48.66 1sq8 s ALA 39 Cb 0.07 -4.12 -0.00 0.00 0.00 0.00 0.00 23.12 19.06 1sq8 s ALA 39 CO 0.87 -2.92 1.64 -0.22 0.00 0.00 0.00 175.76 175.13 1sq8 h LYS 40 N 8.03 0.68 -2.85 0.00 1.63 -1.95 -3.36 116.57 118.74 1sq8 h LYS 40 Ca 0.24 -0.16 -0.61 0.00 -0.85 0.00 0.00 60.65 59.27 1sq8 h LYS 40 Cb 0.95 -0.09 -0.40 0.00 -0.60 0.00 0.00 32.23 32.09 1sq8 h LYS 40 CO 1.19 0.69 -0.75 0.50 -3.45 0.00 0.00 179.45 177.64 1sq8 s ARG 41 N -5.30 1.55 0.42 1.90 6.06 -1.26 -5.12 118.95 117.20 1sq8 s ARG 41 Ca -0.13 -2.45 -0.24 0.00 -2.50 0.00 0.00 55.73 50.41 1sq8 s ARG 41 Cb 0.10 -2.43 -0.09 0.00 0.06 0.00 0.00 34.95 32.60 1sq8 s ARG 41 CO 0.78 -1.26 1.09 -1.25 -2.50 0.00 0.00 175.30 172.15 1sq8 s PRO 42 N -0.29 4.05 0.10 5.12 0.04 -1.26 -4.98 135.00 137.78 1sq8 s PRO 42 Ca 0.24 1.60 -0.27 0.00 0.04 0.00 0.00 61.00 62.61 1sq8 s PRO 42 Cb -0.11 -2.51 -0.12 0.00 0.04 0.00 0.00 34.50 31.80 1sq8 s PRO 42 CO -0.10 -0.26 1.66 0.07 0.04 0.00 0.00 177.00 178.41 1sq8 h ARG 43 N 2.38 -0.42 0.00 4.56 0.11 -2.00 -3.15 114.38 115.87 1sq8 h ARG 43 Ca -0.49 0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.62 1sq8 h ARG 43 Cb 1.22 0.10 0.00 0.00 1.11 0.00 0.00 29.97 32.40 1sq8 h ARG 43 CO 0.62 -0.28 0.00 1.97 0.10 0.00 0.00 179.97 182.38 1sq8 n PHE 44 N -5.33 0.00 -0.20 4.08 1.16 -1.26 -4.46 117.46 111.45 1sq8 n PHE 44 Ca -0.08 0.00 -0.02 0.00 -1.87 0.00 0.00 57.45 55.48 1sq8 n PHE 44 Cb 0.24 0.00 0.05 0.00 -1.61 0.00 0.00 39.48 38.16 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 -0.66 -1.20 5.98 5.85 -1.96 0.47 115.31 123.79 1sq8 h LEU 45 Ca 0.00 0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.85 1sq8 h LEU 45 Cb 0.00 0.41 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1sq8 h LEU 45 CO 0.00 -0.22 -0.31 1.55 -0.34 0.00 0.00 178.44 179.12 1sq8 h PRO 46 N -0.03 0.00 0.10 5.25 0.13 -1.90 0.42 132.00 135.97 1sq8 h PRO 46 Ca 0.29 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.41 1sq8 h PRO 46 Cb 0.47 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.60 1sq8 h PRO 46 CO -0.64 0.31 -0.05 0.93 -0.23 0.00 0.00 178.00 178.32 1sq8 h GLU 47 N 0.00 -0.12 -0.71 0.86 5.08 -1.33 -1.43 114.58 116.92 1sq8 h GLU 47 Ca -0.00 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1sq8 h GLU 47 Cb 0.73 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 1sq8 h GLU 47 CO 0.04 0.20 0.17 1.25 -1.00 0.00 0.00 179.01 179.68 1sq8 h LEU 48 N -0.46 1.08 -0.14 1.33 6.46 -0.87 0.80 115.31 123.51 1sq8 h LEU 48 Ca -0.01 -0.23 -0.00 0.00 -0.12 0.00 0.00 57.88 57.52 1sq8 h LEU 48 Cb 0.39 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.02 1sq8 h LEU 48 CO 0.02 1.03 0.08 0.00 -0.62 0.00 0.00 178.44 178.96 1sq8 h ALA 49 N 1.10 0.17 -0.03 1.25 0.00 -0.93 0.26 119.26 121.08 1sq8 h ALA 49 Ca 0.22 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1sq8 h ALA 49 Cb 0.37 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1sq8 h ALA 49 CO 0.00 -0.32 0.02 -0.09 0.00 0.00 0.00 179.25 178.86 1sq8 h ARG 50 N 0.15 0.04 -0.97 0.00 1.12 -0.96 0.18 114.38 113.94 1sq8 h ARG 50 Ca 0.05 -0.00 0.02 0.00 -1.11 0.00 0.00 59.98 58.93 1sq8 h ARG 50 Cb 0.02 -0.01 -0.05 0.00 -0.01 0.00 0.00 29.97 29.92 1sq8 h ARG 50 CO -0.01 0.06 0.64 0.00 -3.11 0.00 0.00 179.97 177.55 1sq8 h ALA 51 N 0.98 1.33 0.00 2.80 0.00 -0.70 -1.17 119.26 122.49 1sq8 h ALA 51 Ca 0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1sq8 h ALA 51 Cb 0.03 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1sq8 h ALA 51 CO -0.00 0.61 -0.22 1.25 0.00 0.00 0.00 179.25 180.88 1sq8 h LEU 52 N 1.29 0.00 -1.58 0.00 5.85 -0.21 -3.48 115.31 117.18 1sq8 h LEU 52 Ca 0.36 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.97 1sq8 h LEU 52 Cb -0.10 0.00 0.05 0.00 0.37 0.00 0.00 40.66 40.98 1sq8 h LEU 52 CO -0.09 0.22 -0.24 0.61 -0.34 0.00 0.00 178.44 178.61 1sq8 n GLY 53 N 0.43 0.28 3.17 3.75 0.00 0.54 -5.06 105.19 108.29 1sq8 n GLY 53 Ca 0.01 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.11 0.07 0.66 1.61 -7.23 -0.69 -5.04 120.40 106.67 1sq8 s VAL 54 Ca 0.06 -1.93 -0.15 0.00 -1.81 0.00 0.00 61.98 58.15 1sq8 s VAL 54 Cb -0.03 -2.18 -0.00 0.00 0.56 0.00 0.00 36.38 34.73 1sq8 s VAL 54 CO 0.23 -0.33 1.10 0.00 -0.31 0.00 0.00 175.10 175.80 1sq8 s ALA 55 N -4.08 2.50 0.32 1.32 0.00 -1.26 -4.17 121.76 116.39 1sq8 s ALA 55 Ca 0.28 0.49 0.01 0.00 0.00 0.00 0.00 51.96 52.75 1sq8 s ALA 55 Cb 0.07 -3.30 0.52 0.00 0.00 0.00 0.00 23.12 20.42 1sq8 s ALA 55 CO 0.05 -1.23 1.89 0.28 0.00 0.00 0.00 175.76 176.75 1sq8 h VAL 56 N 0.00 1.20 -0.57 0.00 2.07 -1.91 0.46 116.25 117.50 1sq8 h VAL 56 Ca -0.46 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 66.37 1sq8 h VAL 56 Cb 1.24 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 1sq8 h VAL 56 CO 0.54 0.25 0.28 -0.78 0.02 0.00 0.00 177.57 177.89 1sq8 h ASP 57 N 0.73 0.74 -0.76 0.57 1.82 -1.99 0.16 116.42 117.69 1sq8 h ASP 57 Ca 0.17 -0.12 -0.03 0.00 -0.39 0.00 0.00 57.03 56.66 1sq8 h ASP 57 Cb 0.20 -0.19 -0.03 0.00 0.68 0.00 0.00 39.33 39.98 1sq8 h ASP 57 CO -0.01 0.66 0.36 -0.25 -1.61 0.00 0.00 179.24 178.38 1sq8 h TRP 58 N 0.78 1.11 -0.25 0.28 7.01 -1.83 0.17 115.95 123.23 1sq8 h TRP 58 Ca 0.20 -0.06 -0.01 0.00 2.11 0.00 0.00 58.89 61.13 1sq8 h TRP 58 Cb 0.10 -0.34 -0.01 0.00 -2.10 0.00 0.00 29.16 26.81 1sq8 h TRP 58 CO -0.00 0.82 0.12 -0.07 -2.79 0.00 0.00 178.44 176.52 1sq8 h LEU 59 N 1.08 0.32 0.16 0.65 3.38 -0.18 0.27 115.31 120.98 1sq8 h LEU 59 Ca 0.26 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1sq8 h LEU 59 Cb 0.13 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1sq8 h LEU 59 CO -0.03 0.34 -0.08 -0.07 0.09 0.00 0.00 178.44 178.70 1sq8 h LEU 60 N 0.27 -0.18 0.00 1.67 3.38 -0.45 -3.40 115.31 116.60 1sq8 h LEU 60 Ca 0.08 -0.35 -0.23 0.00 0.09 0.00 0.00 57.88 57.48 1sq8 h LEU 60 Cb 0.11 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1sq8 h LEU 60 CO -0.01 0.31 -1.26 0.59 0.09 0.00 0.00 178.44 178.16 1sq8 n ASN 61 N -4.96 1.86 -2.10 -0.43 3.02 0.58 -4.75 115.26 108.49 1sq8 n ASN 61 Ca -0.08 0.43 -0.03 0.00 -0.03 0.00 0.00 54.58 54.86 1sq8 n ASN 61 Cb 0.26 -0.96 0.00 0.00 -0.61 0.00 0.00 39.78 38.47 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 1.44 -1.54 2.48 7.41 0.00 0.93 -4.96 105.19 110.95 1sq8 n GLY 62 Ca -0.32 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1sq8 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32