#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 2.35 0.06 3.17 1.02 -1.26 -4.96 118.68 119.06 1sq8 s LEU 1 Ca 0.00 -1.55 -0.28 0.00 0.02 0.00 0.00 54.13 52.32 1sq8 s LEU 1 Cb 0.00 -0.86 -0.17 0.00 0.02 0.00 0.00 46.19 45.18 1sq8 s LEU 1 CO 0.00 -1.03 1.59 0.24 0.02 0.00 0.00 176.35 177.17 1sq8 h MET 2 N 1.04 -0.49 -0.05 1.70 2.86 -1.92 0.85 114.93 118.91 1sq8 h MET 2 Ca -0.41 0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.30 1sq8 h MET 2 Cb 1.32 0.11 -0.06 0.00 0.06 0.00 0.00 31.60 33.03 1sq8 h MET 2 CO 0.66 -0.29 -0.46 0.78 1.06 0.00 0.00 176.91 178.67 1sq8 h GLY 3 N -0.58 -0.86 1.60 8.32 0.00 -1.72 -0.08 103.07 109.74 1sq8 h GLY 3 Ca -0.05 0.56 -0.04 0.00 0.00 0.00 0.00 47.33 47.80 1sq8 h GLY 3 CO 0.09 -0.24 0.02 -2.09 0.00 0.00 0.00 176.54 174.32 1sq8 h GLU 4 N -0.58 0.51 0.28 4.80 4.22 -1.81 0.18 114.58 122.19 1sq8 h GLU 4 Ca 0.05 -0.10 -0.01 0.00 0.08 0.00 0.00 59.36 59.38 1sq8 h GLU 4 Cb 0.67 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1sq8 h GLU 4 CO -0.36 0.52 -0.15 0.00 -2.18 0.00 0.00 179.01 176.84 1sq8 h ARG 5 N 0.49 -0.39 -0.20 1.92 3.08 -0.25 0.18 114.38 119.22 1sq8 h ARG 5 Ca 0.11 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 1sq8 h ARG 5 Cb 0.29 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1sq8 h ARG 5 CO 0.01 -0.26 0.10 0.82 -1.07 0.00 0.00 179.97 179.57 1sq8 h ILE 6 N -0.40 1.12 -0.33 2.04 2.04 -0.29 0.34 117.51 122.02 1sq8 h ILE 6 Ca -0.03 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 1sq8 h ILE 6 Cb 0.32 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1sq8 h ILE 6 CO 0.05 0.12 0.20 -0.09 0.00 0.00 0.00 178.15 178.42 1sq8 h ARG 7 N 0.20 0.45 0.79 2.37 2.43 -0.54 -0.98 114.38 119.11 1sq8 h ARG 7 Ca 0.07 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 1sq8 h ARG 7 Cb 0.09 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1sq8 h ARG 7 CO -0.01 0.35 -0.38 0.00 -1.51 0.00 0.00 179.97 178.42 1sq8 h ALA 8 N 1.08 -1.06 -0.41 2.80 0.00 -0.43 -1.74 119.26 119.50 1sq8 h ALA 8 Ca 0.12 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1sq8 h ALA 8 Cb 0.01 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1sq8 h ALA 8 CO -0.02 -1.08 0.11 -0.09 0.00 0.00 0.00 179.25 178.17 1sq8 h ARG 9 N -1.09 0.61 0.48 0.00 1.12 -0.90 0.18 114.38 114.78 1sq8 h ARG 9 Ca -0.11 -0.10 -0.01 0.00 -1.11 0.00 0.00 59.98 58.65 1sq8 h ARG 9 Cb 0.82 -0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 30.66 1sq8 h ARG 9 CO 0.18 0.55 -0.40 -0.09 -3.11 0.00 0.00 179.97 177.10 1sq8 h ARG 10 N 0.60 -0.84 -0.37 0.20 2.43 -1.08 -1.80 114.38 113.51 1sq8 h ARG 10 Ca 0.14 0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.33 1sq8 h ARG 10 Cb 0.21 0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 1sq8 h ARG 10 CO -0.01 -0.56 0.07 0.82 -1.51 0.00 0.00 179.97 178.78 1sq8 h ILE 11 N -0.87 1.18 0.00 1.20 1.08 -0.56 0.61 117.51 120.15 1sq8 h ILE 11 Ca -0.05 -0.66 -0.02 0.00 -0.39 0.00 0.00 64.86 63.75 1sq8 h ILE 11 Cb 0.75 0.83 -0.00 0.00 -3.07 0.00 0.00 36.82 35.33 1sq8 h ILE 11 CO -0.02 0.23 -0.08 -0.61 -0.69 0.00 0.00 178.15 176.99 1sq8 h GLN 12 N 0.53 0.00 -0.01 2.37 4.15 -0.56 0.16 115.11 121.75 1sq8 h GLN 12 Ca 0.12 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.54 1sq8 h GLN 12 Cb 0.24 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.93 1sq8 h GLN 12 CO -0.00 0.08 -0.29 -0.11 -1.93 0.00 0.00 178.83 176.58 1sq8 n LEU 13 N -4.03 1.54 -2.53 -2.39 7.94 -0.37 -4.99 117.00 112.18 1sq8 n LEU 13 Ca -0.03 -0.50 -0.19 0.00 -1.11 0.00 0.00 56.01 54.18 1sq8 n LEU 13 Cb 0.16 -0.06 0.02 0.00 0.53 0.00 0.00 43.42 44.08 1sq8 n LEU 13 CO 0.31 0.28 -0.05 0.61 -1.11 0.00 0.00 177.39 177.44 1sq8 n GLY 14 N 1.35 -0.37 3.49 -3.96 0.00 0.06 -5.00 105.19 100.76 1sq8 n GLY 14 Ca 0.12 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 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 -5.75 2.63 0.70 0.99 2.34 -1.15 -5.01 118.68 113.43 1sq8 s LEU 15 Ca 0.21 -1.16 -0.08 0.00 0.06 0.00 0.00 54.13 53.16 1sq8 s LEU 15 Cb -0.09 -0.90 0.04 0.00 -0.56 0.00 0.00 46.19 44.69 1sq8 s LEU 15 CO 0.26 -0.20 1.04 0.20 -1.06 0.00 0.00 176.35 176.59 1sq8 s ASN 16 N -3.53 5.05 0.13 1.48 0.01 -1.26 -4.51 114.94 112.31 1sq8 s ASN 16 Ca 0.31 0.71 -0.19 0.00 -0.71 0.00 0.00 52.86 52.97 1sq8 s ASN 16 Cb 0.01 -1.43 -0.01 0.00 0.41 0.00 0.00 41.25 40.23 1sq8 s ASN 16 CO 0.14 -1.49 1.72 1.56 -1.51 0.00 0.00 177.10 177.52 1sq8 h GLN 17 N -0.60 0.07 -0.08 -0.60 4.20 -1.99 -0.68 115.11 115.43 1sq8 h GLN 17 Ca -0.45 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.21 1sq8 h GLN 17 Cb 1.29 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.05 1sq8 h GLN 17 CO 0.62 0.05 -0.15 0.00 -0.67 0.00 0.00 178.83 178.68 1sq8 h ALA 18 N 1.19 1.60 0.03 3.87 0.00 -1.94 0.17 119.26 124.19 1sq8 h ALA 18 Ca 0.11 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1sq8 h ALA 18 Cb 0.14 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1sq8 h ALA 18 CO -0.18 0.29 -0.51 0.93 0.00 0.00 0.00 179.25 179.78 1sq8 h GLU 19 N 0.12 0.29 -0.89 0.00 5.08 -1.89 0.41 114.58 117.71 1sq8 h GLU 19 Ca 0.02 -0.35 0.08 0.00 -1.00 0.00 0.00 59.36 58.11 1sq8 h GLU 19 Cb 0.35 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.65 1sq8 h GLU 19 CO 0.02 1.07 0.58 1.25 -1.00 0.00 0.00 179.01 180.93 1sq8 h LEU 20 N -0.33 0.83 0.91 1.33 5.85 -0.84 -0.13 115.31 122.93 1sq8 h LEU 20 Ca -0.07 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 1sq8 h LEU 20 Cb 1.28 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 42.16 1sq8 h LEU 20 CO 0.10 0.51 -0.44 0.00 -0.34 0.00 0.00 178.44 178.27 1sq8 h ALA 21 N 1.54 -1.23 -0.27 1.25 0.00 -0.65 -3.09 119.26 116.82 1sq8 h ALA 21 Ca 0.40 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1sq8 h ALA 21 Cb 0.33 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1sq8 h ALA 21 CO -0.16 -1.19 -0.20 0.37 0.00 0.00 0.00 179.25 178.07 1sq8 h GLN 22 N -1.23 0.48 0.00 0.00 4.15 0.06 0.36 115.11 118.92 1sq8 h GLN 22 Ca -0.13 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.13 1sq8 h GLN 22 Cb 0.94 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.59 1sq8 h GLN 22 CO 0.21 0.65 0.00 -0.22 -1.93 0.00 0.00 178.83 177.54 1sq8 h LYS 23 N 0.43 0.00 0.00 1.69 3.11 -1.17 -1.85 116.57 118.79 1sq8 h LYS 23 Ca 0.07 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.91 1sq8 h LYS 23 Cb 0.59 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.82 1sq8 h LYS 23 CO 0.04 0.00 -0.76 0.28 -2.81 0.00 0.00 179.45 176.20 1sq8 n VAL 24 N -3.05 0.11 -0.04 2.00 0.31 -0.35 -4.98 118.33 112.33 1sq8 n VAL 24 Ca 0.02 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1sq8 n VAL 24 Cb 0.39 0.26 0.00 0.00 -0.91 0.00 0.00 33.84 33.58 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 1.43 0.91 3.95 2.92 0.00 0.11 -4.92 105.19 109.58 1sq8 n GLY 25 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.36 2.05 0.53 1.61 -7.23 -0.04 -4.81 120.40 110.14 1sq8 s VAL 26 Ca 0.00 -0.19 -0.17 0.00 -1.81 0.00 0.00 61.98 59.81 1sq8 s VAL 26 Cb 0.00 -2.86 -0.07 0.00 0.56 0.00 0.00 36.38 34.01 1sq8 s VAL 26 CO 0.00 0.00 1.00 1.51 -0.31 0.00 0.00 175.10 177.30 1sq8 s ASP 27 N -4.82 6.41 0.21 4.85 -4.77 -1.26 -3.99 116.67 113.30 1sq8 s ASP 27 Ca 0.71 1.66 -0.09 0.00 -3.30 0.00 0.00 52.55 51.53 1sq8 s ASP 27 Cb -0.05 -2.52 0.30 0.00 -1.09 0.00 0.00 42.92 39.56 1sq8 s ASP 27 CO 0.50 -0.73 1.72 -0.61 0.70 0.00 0.00 175.17 176.75 1sq8 h GLN 28 N 0.91 0.31 -0.88 2.11 4.15 -1.86 -0.96 115.11 118.89 1sq8 h GLN 28 Ca -0.47 -0.02 0.20 0.00 0.77 0.00 0.00 58.65 59.13 1sq8 h GLN 28 Cb 1.20 -0.07 -0.12 0.00 0.21 0.00 0.00 27.48 28.70 1sq8 h GLN 28 CO 0.60 0.21 0.40 0.37 -1.93 0.00 0.00 178.83 178.48 1sq8 h GLN 29 N 0.32 0.43 -0.98 1.69 4.15 -1.94 0.03 115.11 118.81 1sq8 h GLN 29 Ca 0.32 -0.03 0.14 0.00 0.77 0.00 0.00 58.65 59.85 1sq8 h GLN 29 Cb 0.45 -0.10 -0.09 0.00 0.21 0.00 0.00 27.48 27.96 1sq8 h GLN 29 CO -0.37 0.28 0.62 0.00 -1.93 0.00 0.00 178.83 177.43 1sq8 h ALA 30 N 1.68 1.63 -0.00 3.38 0.00 -1.54 0.18 119.26 124.58 1sq8 h ALA 30 Ca 0.54 0.03 -0.26 0.00 0.00 0.00 0.00 54.91 55.22 1sq8 h ALA 30 Cb 0.98 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 18.62 1sq8 h ALA 30 CO -0.49 0.10 -1.03 0.82 0.00 0.00 0.00 179.25 178.64 1sq8 h ILE 31 N 0.88 1.29 -0.41 0.00 1.08 -1.06 -2.81 117.51 116.48 1sq8 h ILE 31 Ca 0.50 -2.27 -0.02 0.00 -0.39 0.00 0.00 64.86 62.68 1sq8 h ILE 31 Cb 0.63 2.38 -0.02 0.00 -3.07 0.00 0.00 36.82 36.74 1sq8 h ILE 31 CO -0.27 0.70 0.19 -0.08 -0.69 0.00 0.00 178.15 177.99 1sq8 h GLU 32 N 0.38 0.59 -0.06 2.37 4.57 -0.81 -0.11 114.58 121.51 1sq8 h GLU 32 Ca -0.12 -0.09 -0.14 0.00 -1.18 0.00 0.00 59.36 57.82 1sq8 h GLU 32 Cb 1.68 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 30.16 1sq8 h GLU 32 CO 0.20 0.53 -0.59 -0.56 -1.18 0.00 0.00 179.01 177.41 1sq8 h GLN 33 N 0.52 0.21 -0.34 1.92 3.07 -0.78 -2.31 115.11 117.39 1sq8 h GLN 33 Ca 0.14 -0.14 -0.12 0.00 0.09 0.00 0.00 58.65 58.62 1sq8 h GLN 33 Cb 0.14 0.02 -0.01 0.00 0.08 0.00 0.00 27.48 27.71 1sq8 h GLN 33 CO -0.02 0.74 -0.26 -0.07 0.09 0.00 0.00 178.83 179.31 1sq8 h LEU 34 N 0.16 0.71 0.05 0.06 3.38 -1.16 0.38 115.31 118.89 1sq8 h LEU 34 Ca -0.00 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.72 1sq8 h LEU 34 Cb 1.08 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1sq8 h LEU 34 CO 0.09 0.94 -0.14 -0.33 0.09 0.00 0.00 178.44 179.09 1sq8 h GLU 35 N 0.60 -0.26 0.00 1.13 5.08 -0.84 -2.52 114.58 117.78 1sq8 h GLU 35 Ca 0.08 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1sq8 h GLU 35 Cb 0.76 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1sq8 h GLU 35 CO 0.06 -0.17 0.00 0.27 -1.00 0.00 0.00 179.01 178.17 1sq8 n ASN 36 N -5.27 0.00 0.00 1.42 0.23 -0.89 -4.17 115.26 106.58 1sq8 n ASN 36 Ca -0.06 -0.51 0.00 0.00 -0.53 0.00 0.00 54.58 53.48 1sq8 n ASN 36 Cb 0.19 -0.13 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 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 0.82 0.40 0.15 4.83 0.00 -0.49 -4.98 105.19 105.92 1sq8 n GLY 37 Ca 0.17 -1.05 -0.16 0.00 0.00 0.00 0.00 46.02 44.98 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 0.00 0.44 -6.56 1.61 1.79 -0.53 -3.44 116.57 109.88 1sq8 h LYS 38 Ca 0.00 -0.36 -0.52 0.00 -2.18 0.00 0.00 60.65 57.59 1sq8 h LYS 38 Cb 0.09 0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 1sq8 h LYS 38 CO 0.00 1.00 -0.05 0.00 -1.08 0.00 0.00 179.45 179.32 1sq8 s ALA 39 N -3.61 3.50 0.00 3.86 0.00 -1.22 -4.99 121.76 119.30 1sq8 s ALA 39 Ca -0.13 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.56 1sq8 s ALA 39 Cb 0.05 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.66 1sq8 s ALA 39 CO 0.81 0.34 0.00 1.17 0.00 0.00 0.00 175.76 178.08 1sq8 n LYS 40 N -0.52 0.00 -3.48 0.00 3.00 -1.26 -4.75 118.16 111.15 1sq8 n LYS 40 Ca 0.01 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.05 1sq8 n LYS 40 Cb 0.53 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.47 1sq8 n LYS 40 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1sq8 n ARG 41 N -2.44 1.60 -1.50 1.64 3.00 -1.26 -5.03 116.66 112.67 1sq8 n ARG 41 Ca 0.00 -4.07 -0.31 0.00 -0.00 0.00 0.00 57.85 53.47 1sq8 n ARG 41 Cb 0.00 -1.94 0.07 0.00 0.00 0.00 0.00 32.46 30.59 1sq8 n ARG 41 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1sq8 s PRO 42 N -1.56 2.61 0.59 -0.14 0.04 -1.26 -4.94 135.00 130.35 1sq8 s PRO 42 Ca 0.34 0.93 0.29 0.00 0.04 0.00 0.00 61.00 62.60 1sq8 s PRO 42 Cb 0.09 -1.96 1.52 0.00 0.04 0.00 0.00 34.50 34.20 1sq8 s PRO 42 CO -0.10 -1.32 1.94 0.07 0.04 0.00 0.00 177.00 177.62 1sq8 h ARG 43 N -0.88 0.00 -0.15 4.56 0.11 -2.06 -1.37 114.38 114.60 1sq8 h ARG 43 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 1sq8 h ARG 43 Cb 1.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.31 1sq8 h ARG 43 CO 0.56 0.00 0.00 1.97 0.10 0.00 0.00 179.97 182.60 1sq8 n PHE 44 N -3.67 0.16 -0.22 4.08 -1.74 -1.26 -4.61 117.46 110.20 1sq8 n PHE 44 Ca 0.06 -0.09 0.01 0.00 -0.56 0.00 0.00 57.45 56.88 1sq8 n PHE 44 Cb 0.58 -0.00 0.10 0.00 1.52 0.00 0.00 39.48 41.68 1sq8 n PHE 44 CO 0.00 0.00 0.00 1.25 -0.56 0.00 0.00 176.76 177.45 1sq8 h LEU 45 N 4.44 -0.42 -1.41 5.98 5.85 -1.61 0.16 115.31 128.30 1sq8 h LEU 45 Ca 0.00 0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.84 1sq8 h LEU 45 Cb 0.96 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 1sq8 h LEU 45 CO 0.00 -0.17 -0.25 1.55 -0.34 0.00 0.00 178.44 179.24 1sq8 h PRO 46 N 0.07 0.07 0.14 5.25 0.13 -1.83 -0.72 132.00 135.10 1sq8 h PRO 46 Ca 0.34 -0.02 -0.30 0.00 -0.87 0.00 0.00 66.00 65.15 1sq8 h PRO 46 Cb 0.55 -0.01 0.03 0.00 0.13 0.00 0.00 31.00 31.70 1sq8 h PRO 46 CO -0.61 0.32 -1.27 0.93 -0.23 0.00 0.00 178.00 177.14 1sq8 h GLU 47 N 0.07 0.56 -0.20 0.86 3.07 -1.46 -0.95 114.58 116.53 1sq8 h GLU 47 Ca 0.01 -0.78 -0.01 0.00 -0.50 0.00 0.00 59.36 58.08 1sq8 h GLU 47 Cb 0.47 0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 28.64 1sq8 h GLU 47 CO 0.03 1.35 0.10 1.25 -1.40 0.00 0.00 179.01 180.35 1sq8 h LEU 48 N 0.23 0.25 -0.18 1.33 6.46 -0.62 0.37 115.31 123.16 1sq8 h LEU 48 Ca -0.19 -0.11 0.02 0.00 -0.12 0.00 0.00 57.88 57.49 1sq8 h LEU 48 Cb 1.94 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 41.79 1sq8 h LEU 48 CO 0.24 0.29 0.06 0.00 -0.62 0.00 0.00 178.44 178.40 1sq8 h ALA 49 N 0.98 0.19 -0.01 1.25 0.00 -1.12 0.22 119.26 120.77 1sq8 h ALA 49 Ca 0.07 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1sq8 h ALA 49 Cb 0.10 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1sq8 h ALA 49 CO -0.01 -0.38 -0.14 -0.09 0.00 0.00 0.00 179.25 178.63 1sq8 h ARG 50 N 0.14 -0.22 0.00 0.00 2.43 -1.03 0.20 114.38 115.89 1sq8 h ARG 50 Ca 0.08 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 1sq8 h ARG 50 Cb 0.05 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1sq8 h ARG 50 CO -0.08 -0.15 -0.30 0.00 -1.51 0.00 0.00 179.97 177.92 1sq8 h ALA 51 N 0.72 1.38 0.00 2.80 0.00 -0.68 -2.23 119.26 121.26 1sq8 h ALA 51 Ca 0.05 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1sq8 h ALA 51 Cb 0.30 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1sq8 h ALA 51 CO -0.14 0.38 -0.34 1.25 0.00 0.00 0.00 179.25 180.40 1sq8 h LEU 52 N 0.00 0.00 -0.81 0.00 5.85 0.16 -3.48 115.31 117.03 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 0.57 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1sq8 h LEU 52 CO 0.04 0.34 0.00 0.61 -0.34 0.00 0.00 178.44 179.09 1sq8 n GLY 53 N 0.74 0.92 3.37 3.75 0.00 -0.07 -5.07 105.19 108.83 1sq8 n GLY 53 Ca 0.01 -0.63 -0.20 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.81 0.33 0.28 1.61 -7.23 -0.45 -5.04 120.40 107.08 1sq8 s VAL 54 Ca 0.00 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.23 1sq8 s VAL 54 Cb 0.00 -2.47 -0.02 0.00 0.56 0.00 0.00 36.38 34.45 1sq8 s VAL 54 CO 0.00 0.00 0.41 0.00 -0.31 0.00 0.00 175.10 175.20 1sq8 s ALA 55 N -3.49 4.08 0.40 1.32 0.00 -1.26 -3.70 121.76 119.11 1sq8 s ALA 55 Ca 0.34 -1.34 0.11 0.00 0.00 0.00 0.00 51.96 51.07 1sq8 s ALA 55 Cb 0.04 -1.70 0.92 0.00 0.00 0.00 0.00 23.12 22.37 1sq8 s ALA 55 CO 0.19 0.11 1.96 0.28 0.00 0.00 0.00 175.76 178.29 1sq8 h VAL 56 N 1.04 0.92 -0.69 0.00 2.07 -1.90 -1.35 116.25 116.34 1sq8 h VAL 56 Ca -0.49 -0.19 0.08 0.00 0.82 0.00 0.00 66.70 66.92 1sq8 h VAL 56 Cb 1.24 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 31.27 1sq8 h VAL 56 CO 0.57 0.10 0.36 -0.78 0.02 0.00 0.00 177.57 177.84 1sq8 h ASP 57 N 0.55 0.49 -0.29 0.57 3.58 -1.98 0.42 116.42 119.76 1sq8 h ASP 57 Ca 0.32 0.05 -0.12 0.00 0.42 0.00 0.00 57.03 57.69 1sq8 h ASP 57 Cb 0.50 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.50 1sq8 h ASP 57 CO -0.10 0.30 -0.26 -0.25 -2.88 0.00 0.00 179.24 176.04 1sq8 h TRP 58 N 0.63 0.90 -0.33 0.28 7.01 -1.67 0.45 115.95 123.22 1sq8 h TRP 58 Ca 0.33 -0.22 -0.09 0.00 2.11 0.00 0.00 58.89 61.02 1sq8 h TRP 58 Cb 0.30 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.14 1sq8 h TRP 58 CO -0.10 0.96 -0.14 -0.07 -2.79 0.00 0.00 178.44 176.31 1sq8 h LEU 59 N 0.68 0.69 0.66 0.65 3.38 -0.70 0.96 115.31 121.63 1sq8 h LEU 59 Ca 0.09 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 1sq8 h LEU 59 Cb 0.78 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.35 1sq8 h LEU 59 CO 0.06 0.93 -0.32 -0.07 0.09 0.00 0.00 178.44 179.13 1sq8 h LEU 60 N 0.44 -0.75 0.00 1.67 3.38 -0.17 -3.45 115.31 116.44 1sq8 h LEU 60 Ca 0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1sq8 h LEU 60 Cb 0.66 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1sq8 h LEU 60 CO 0.04 -0.43 0.00 0.59 0.09 0.00 0.00 178.44 178.73 1sq8 n ASN 61 N -5.41 0.00 0.00 -0.43 3.02 0.13 -4.96 115.26 107.61 1sq8 n ASN 61 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 1sq8 n ASN 61 Cb 0.37 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 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 2.07 0.80 2.36 7.41 0.00 0.33 -4.95 105.19 113.20 1sq8 n GLY 62 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1sq8 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32