#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x37 n GLY 2 N 0.00 -0.67 3.65 0.00 0.00 -1.26 -5.12 105.19 101.79 1x37 n GLY 2 Ca 0.00 0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1x37 n GLY 2 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1x37 s TYR 3 N 0.04 2.71 0.24 1.61 1.13 -1.26 -5.01 117.35 116.82 1x37 s TYR 3 Ca 0.06 0.90 0.03 0.00 -1.41 0.00 0.00 57.07 56.66 1x37 s TYR 3 Cb 0.10 -3.72 0.03 0.00 -1.10 0.00 0.00 41.96 37.28 1x37 s TYR 3 CO -0.04 -1.83 0.28 0.25 -2.51 0.00 0.00 175.55 171.70 1x37 n THR 4 N 5.81 0.00 -0.15 -3.49 -2.24 -1.26 -4.90 114.28 108.04 1x37 n THR 4 Ca 0.15 -0.86 -0.05 0.00 -2.27 0.00 0.00 64.05 61.01 1x37 n THR 4 Cb 0.46 -0.61 0.01 0.00 -2.10 0.00 0.00 70.33 68.09 1x37 n THR 4 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1x37 h GLU 5 N 0.00 -0.14 -0.59 -0.78 3.07 -2.00 -1.39 114.58 112.75 1x37 h GLU 5 Ca -0.13 0.01 0.10 0.00 -0.50 0.00 0.00 59.36 58.84 1x37 h GLU 5 Cb 0.54 0.03 -0.11 0.00 -0.84 0.00 0.00 28.75 28.37 1x37 h GLU 5 CO 0.19 -0.10 -0.37 -0.84 -1.40 0.00 0.00 179.01 176.49 1x37 h ILE 6 N -0.15 0.14 -0.11 3.13 3.07 -2.00 -0.14 117.51 121.45 1x37 h ILE 6 Ca 0.22 0.00 0.05 0.00 1.55 0.00 0.00 64.86 66.67 1x37 h ILE 6 Cb 0.50 0.14 -0.06 0.00 -0.27 0.00 0.00 36.82 37.12 1x37 h ILE 6 CO -0.57 0.00 -0.30 -0.08 -1.05 0.00 0.00 178.15 176.15 1x37 h GLU 7 N -0.19 -0.37 -0.92 0.16 4.57 -1.63 -0.10 114.58 116.10 1x37 h GLU 7 Ca 0.21 0.03 0.24 0.00 -1.18 0.00 0.00 59.36 58.66 1x37 h GLU 7 Cb 0.56 0.08 -0.13 0.00 -0.16 0.00 0.00 28.75 29.10 1x37 h GLU 7 CO -0.69 -0.25 0.42 0.87 -1.18 0.00 0.00 179.01 178.19 1x37 h LYS 8 N -0.38 0.37 -0.35 1.92 1.57 -0.57 0.18 116.57 119.31 1x37 h LYS 8 Ca 0.09 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 1x37 h LYS 8 Cb 0.53 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1x37 h LYS 8 CO -0.33 0.24 -0.02 -0.07 -0.57 0.00 0.00 179.45 178.70 1x37 h LEU 9 N 0.38 0.62 -0.03 2.94 -0.00 0.14 0.28 115.31 119.65 1x37 h LEU 9 Ca 0.60 -0.32 0.02 0.00 -0.00 0.00 0.00 57.88 58.17 1x37 h LEU 9 Cb 1.19 -0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 41.65 1x37 h LEU 9 CO -0.55 0.80 -0.11 -0.33 -0.00 0.00 0.00 178.44 178.24 1x37 h GLU 10 N 0.43 -0.17 0.07 1.13 5.08 0.60 -1.11 114.58 120.61 1x37 h GLU 10 Ca 0.10 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1x37 h GLU 10 Cb 0.49 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1x37 h GLU 10 CO 0.02 -0.12 -0.03 -0.84 -1.00 0.00 0.00 179.01 177.04 1x37 h ILE 11 N -0.18 0.00 -1.13 3.13 3.07 -1.16 -1.57 117.51 119.67 1x37 h ILE 11 Ca 0.05 -0.25 0.43 0.00 1.55 0.00 0.00 64.86 66.65 1x37 h ILE 11 Cb 0.25 0.00 -0.16 0.00 -0.27 0.00 0.00 36.82 36.64 1x37 h ILE 11 CO -0.13 0.00 0.67 0.52 -1.05 0.00 0.00 178.15 178.15 1x37 n VAL 12 N -2.94 -0.34 0.11 0.16 0.31 0.99 0.07 118.33 116.70 1x37 n VAL 12 Ca -0.01 1.88 -0.23 0.00 -0.01 0.00 0.00 64.34 65.97 1x37 n VAL 12 Cb 0.04 -3.06 -0.15 0.00 -0.91 0.00 0.00 33.84 29.75 1x37 n VAL 12 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1x37 h LYS 13 N 0.00 0.46 0.24 5.55 1.63 -1.28 -3.22 116.57 119.94 1x37 h LYS 13 Ca 0.84 -0.78 -0.33 0.00 -0.85 0.00 0.00 60.65 59.52 1x37 h LYS 13 Cb 2.42 0.29 0.03 0.00 -0.60 0.00 0.00 32.23 34.38 1x37 h LYS 13 CO -0.62 1.37 -1.48 0.22 -3.45 0.00 0.00 179.45 175.48 1x37 h ASP 14 N 0.13 0.78 0.09 4.20 1.82 0.69 -3.37 116.42 120.76 1x37 h ASP 14 Ca -0.28 -0.86 -0.23 0.00 -0.39 0.00 0.00 57.03 55.27 1x37 h ASP 14 Cb 2.13 -0.25 0.01 0.00 0.68 0.00 0.00 39.33 41.89 1x37 h ASP 14 CO 0.23 1.68 -0.91 1.12 -1.61 0.00 0.00 179.24 179.75 1x37 h HIS 15 N 0.14 0.87 -1.19 0.28 2.07 -0.66 -3.31 115.15 113.34 1x37 h HIS 15 Ca -0.25 -0.44 0.43 0.00 -2.85 0.00 0.00 60.37 57.27 1x37 h HIS 15 Cb 2.15 -0.11 -0.14 0.00 2.57 0.00 0.00 27.41 31.87 1x37 h HIS 15 CO 0.12 1.26 0.73 1.47 -3.07 0.00 0.00 177.93 178.44 1x37 n LEU 16 N -3.84 0.24 0.05 6.12 -0.00 -1.21 -0.32 117.00 118.03 1x37 n LEU 16 Ca -0.08 1.39 -0.02 0.00 -0.00 0.00 0.00 56.01 57.30 1x37 n LEU 16 Cb 0.81 -0.68 -0.01 0.00 -0.00 0.00 0.00 43.42 43.54 1x37 n LEU 16 CO 0.53 -1.53 0.19 -0.07 -0.00 0.00 0.00 177.39 176.51 1x37 h LEU 17 N 0.00 -0.13 -0.04 1.47 3.38 -1.80 -3.31 115.31 114.88 1x37 h LEU 17 Ca 0.82 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.79 1x37 h LEU 17 Cb 2.50 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 43.29 1x37 h LEU 17 CO -0.53 0.00 -0.01 1.55 0.09 0.00 0.00 178.44 179.54 1x37 h PRO 18 N -0.33 0.08 -0.69 1.13 0.13 -1.59 -2.28 132.00 128.45 1x37 h PRO 18 Ca -0.02 -0.03 0.12 0.00 -0.87 0.00 0.00 66.00 65.20 1x37 h PRO 18 Cb 0.11 -0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.11 1x37 h PRO 18 CO 0.02 0.44 -0.32 -0.22 -0.23 0.00 0.00 178.00 177.69 1x37 h LYS 19 N -0.28 -0.10 0.16 0.86 1.63 -0.88 0.43 116.57 118.39 1x37 h LYS 19 Ca 0.01 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 1x37 h LYS 19 Cb 0.41 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 1x37 h LYS 19 CO 0.00 -0.07 -0.08 1.96 -3.45 0.00 0.00 179.45 177.82 1x37 h GLN 20 N -0.11 -0.21 -1.06 1.90 1.08 -1.65 -3.22 115.11 111.84 1x37 h GLN 20 Ca 0.27 0.01 0.30 0.00 -1.45 0.00 0.00 58.65 57.79 1x37 h GLN 20 Cb 0.56 0.05 -0.12 0.00 -0.05 0.00 0.00 27.48 27.92 1x37 h GLN 20 CO -0.75 0.21 0.65 0.97 -0.95 0.00 0.00 178.83 178.96 1x37 h ILE 21 N -0.88 0.41 0.00 2.54 6.09 -1.04 0.17 117.51 124.80 1x37 h ILE 21 Ca -0.02 -0.13 0.00 0.00 -1.37 0.00 0.00 64.86 63.34 1x37 h ILE 21 Cb 0.52 -0.00 0.00 0.00 0.47 0.00 0.00 36.82 37.80 1x37 h ILE 21 CO 0.04 0.07 0.00 1.17 -3.07 0.00 0.00 178.15 176.36 1x37 n LYS 22 N -4.82 0.00 -0.36 2.19 4.81 0.11 0.42 118.16 120.52 1x37 n LYS 22 Ca 0.29 0.00 0.30 0.00 -0.87 0.00 0.00 58.31 58.03 1x37 n LYS 22 Cb 0.95 -0.72 0.56 0.00 0.02 0.00 0.00 35.03 35.85 1x37 n LYS 22 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1x37 h GLU 23 N 0.00 0.15 0.20 1.64 4.39 -1.56 0.84 114.58 120.24 1x37 h GLU 23 Ca 0.00 -0.01 -0.32 0.00 0.34 0.00 0.00 59.36 59.37 1x37 h GLU 23 Cb 0.00 -0.03 0.02 0.00 -0.10 0.00 0.00 28.75 28.64 1x37 h GLU 23 CO 0.00 0.10 -1.48 0.45 -1.16 0.00 0.00 179.01 176.92 1x37 h HIS 24 N 0.16 0.77 -1.12 4.33 3.86 -0.73 -3.30 115.15 119.12 1x37 h HIS 24 Ca 0.79 -0.57 0.40 0.00 -1.16 0.00 0.00 60.37 59.84 1x37 h HIS 24 Cb 2.10 -0.03 -0.15 0.00 1.06 0.00 0.00 27.41 30.39 1x37 h HIS 24 CO -0.01 1.50 0.66 0.78 0.86 0.00 0.00 177.93 181.73 1x37 h GLY 25 N 0.75 1.87 -0.94 2.45 0.00 1.59 0.25 103.07 109.03 1x37 h GLY 25 Ca -0.24 -0.16 0.39 0.00 0.00 0.00 0.00 47.33 47.32 1x37 h GLY 25 CO 0.23 -0.58 0.52 1.04 0.00 0.00 0.00 176.54 177.75 1x37 n LEU 26 N -5.00 0.31 -4.97 3.11 4.32 -1.04 -4.24 117.00 109.49 1x37 n LEU 26 Ca 0.36 1.50 -0.21 0.00 -0.02 0.00 0.00 56.01 57.64 1x37 n LEU 26 Cb 1.27 -0.73 0.02 0.00 -1.62 0.00 0.00 43.42 42.36 1x37 n LEU 26 CO 0.10 -1.68 0.28 -0.54 -1.22 0.00 0.00 177.39 174.33 1x37 s LYS 27 N -5.37 2.88 0.78 3.23 -0.14 0.87 -5.03 119.74 116.95 1x37 s LYS 27 Ca -0.08 -0.70 -0.16 0.00 -1.36 0.00 0.00 55.97 53.67 1x37 s LYS 27 Cb 0.31 -2.58 -0.07 0.00 -1.68 0.00 0.00 37.83 33.81 1x37 s LYS 27 CO 0.72 -0.38 0.08 0.36 -0.76 0.00 0.00 175.35 175.36 1x37 n LYS 28 N -2.10 0.08 -1.51 1.68 2.85 -1.26 -4.42 118.16 113.48 1x37 n LYS 28 Ca 0.04 0.05 -0.31 0.00 -1.05 0.00 0.00 58.31 57.05 1x37 n LYS 28 Cb 0.58 -1.49 -0.17 0.00 -0.65 0.00 0.00 35.03 33.31 1x37 n LYS 28 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1x37 n SER 29 N 0.94 -0.16 -3.09 -5.58 2.88 -1.26 -4.76 113.62 102.59 1x37 n SER 29 Ca 0.06 -0.31 -0.27 0.00 -1.33 0.00 0.00 58.87 57.03 1x37 n SER 29 Cb 0.51 -0.87 -0.05 0.00 -0.75 0.00 0.00 64.21 63.05 1x37 n SER 29 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1x37 n ASN 30 N 9.51 4.22 -3.57 -3.46 2.85 -1.26 -3.42 115.26 120.13 1x37 n ASN 30 Ca 0.63 -3.60 -0.00 0.00 -0.11 0.00 0.00 54.58 51.49 1x37 n ASN 30 Cb 0.15 -0.59 -0.04 0.00 1.24 0.00 0.00 39.78 40.54 1x37 n ASN 30 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1x37 s LEU 31 N -3.15 -1.10 -0.40 1.20 2.96 -1.26 -4.45 118.68 112.48 1x37 s LEU 31 Ca 0.46 1.41 0.09 0.00 -0.22 0.00 0.00 54.13 55.87 1x37 s LEU 31 Cb 0.24 2.21 0.29 0.00 0.50 0.00 0.00 46.19 49.43 1x37 s LEU 31 CO -0.10 -0.21 0.70 0.00 -1.32 0.00 0.00 176.35 175.43 1x37 n GLN 32 N 5.39 0.85 -2.87 1.98 1.13 0.53 -4.76 117.38 119.63 1x37 n GLN 32 Ca -0.11 -2.99 -0.19 0.00 -1.94 0.00 0.00 57.00 51.78 1x37 n GLN 32 Cb 0.50 -1.41 0.03 0.00 0.11 0.00 0.00 30.24 29.47 1x37 n GLN 32 CO 0.00 0.00 0.00 -0.48 -1.44 0.00 0.00 177.06 175.14 1x37 s LEU 33 N -1.72 3.41 0.33 1.08 0.05 -1.26 -1.62 118.68 118.95 1x37 s LEU 33 Ca 0.35 -0.36 0.06 0.00 0.05 0.00 0.00 54.13 54.23 1x37 s LEU 33 Cb 0.26 -2.51 -0.07 0.00 -2.05 0.00 0.00 46.19 41.83 1x37 s LEU 33 CO -0.11 -1.05 -0.01 -0.13 -0.55 0.00 0.00 176.35 174.50 1x37 s ARG 34 N -4.58 1.72 0.17 1.48 1.81 -1.25 -4.90 118.95 113.40 1x37 s ARG 34 Ca 0.58 -1.93 -0.11 0.00 -1.72 0.00 0.00 55.73 52.55 1x37 s ARG 34 Cb -0.09 -1.27 0.06 0.00 -0.45 0.00 0.00 34.95 33.20 1x37 s ARG 34 CO 0.36 -0.04 1.66 -0.44 -0.68 0.00 0.00 175.30 176.17 1x37 h ASP 35 N 2.07 0.93 -1.00 0.23 5.19 -2.00 -2.69 116.42 119.15 1x37 h ASP 35 Ca -0.41 -0.26 0.07 0.00 -0.62 0.00 0.00 57.03 55.81 1x37 h ASP 35 Cb 1.24 -0.25 -0.07 0.00 0.18 0.00 0.00 39.33 40.44 1x37 h ASP 35 CO 0.72 0.95 0.65 -0.61 -3.12 0.00 0.00 179.24 177.83 1x37 h GLN 36 N 0.87 1.12 0.15 3.56 -0.00 -1.96 -1.39 115.11 117.46 1x37 h GLN 36 Ca 0.18 -0.07 -0.01 0.00 -0.00 0.00 0.00 58.65 58.75 1x37 h GLN 36 Cb 0.41 -0.25 0.00 0.00 0.00 0.00 0.00 27.48 27.64 1x37 h GLN 36 CO 0.01 0.74 -0.08 0.00 0.00 0.00 0.00 178.83 179.51 1x37 h ALA 37 N 1.47 -1.02 -1.03 3.38 0.00 -1.75 0.19 119.26 120.50 1x37 h ALA 37 Ca 0.44 -0.04 0.31 0.00 0.00 0.00 0.00 54.91 55.61 1x37 h ALA 37 Cb 0.19 0.11 -0.14 0.00 0.00 0.00 0.00 17.79 17.96 1x37 h ALA 37 CO -0.18 -1.01 0.61 0.82 0.00 0.00 0.00 179.25 179.49 1x37 h ILE 38 N -0.20 0.36 -0.53 0.00 1.08 -1.45 0.55 117.51 117.32 1x37 h ILE 38 Ca -0.02 -0.13 -0.11 0.00 -0.39 0.00 0.00 64.86 64.22 1x37 h ILE 38 Cb 0.16 -0.04 -0.02 0.00 -3.07 0.00 0.00 36.82 33.84 1x37 h ILE 38 CO 0.03 0.07 -0.09 -0.07 -0.69 0.00 0.00 178.15 177.40 1x37 h LEU 39 N 0.37 0.97 0.28 1.44 3.38 -0.94 -2.72 115.31 118.09 1x37 h LEU 39 Ca 0.71 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 58.36 1x37 h LEU 39 Cb 1.63 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1x37 h LEU 39 CO -0.53 1.08 -0.14 -0.78 0.09 0.00 0.00 178.44 178.16 1x37 h ASP 40 N 0.88 -0.32 0.22 -0.43 1.82 0.33 0.79 116.42 119.71 1x37 h ASP 40 Ca 0.14 -0.12 0.01 0.00 -0.39 0.00 0.00 57.03 56.67 1x37 h ASP 40 Cb 0.63 0.08 -0.04 0.00 0.68 0.00 0.00 39.33 40.69 1x37 h ASP 40 CO 0.04 -0.07 -0.41 -0.29 -1.61 0.00 0.00 179.24 176.91 1x37 h ILE 41 N -0.58 0.17 -0.20 2.25 2.10 -1.35 0.14 117.51 120.06 1x37 h ILE 41 Ca -0.04 0.00 0.01 0.00 1.08 0.00 0.00 64.86 65.91 1x37 h ILE 41 Cb 0.42 0.17 -0.01 0.00 -1.09 0.00 0.00 36.82 36.31 1x37 h ILE 41 CO 0.06 0.00 0.12 -0.29 -1.08 0.00 0.00 178.15 176.96 1x37 h ILE 42 N -0.71 1.03 -0.97 2.19 2.10 -1.51 -1.69 117.51 117.94 1x37 h ILE 42 Ca 0.00 -0.08 0.14 0.00 1.08 0.00 0.00 64.86 66.00 1x37 h ILE 42 Cb 0.70 0.76 -0.08 0.00 -1.09 0.00 0.00 36.82 37.10 1x37 h ILE 42 CO -0.18 0.04 0.61 -0.09 -1.08 0.00 0.00 178.15 177.46 1x37 h ARG 43 N 0.24 0.82 -0.58 2.19 2.43 -0.49 1.10 114.38 120.08 1x37 h ARG 43 Ca 0.08 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.11 1x37 h ARG 43 Cb -0.01 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.33 1x37 h ARG 43 CO -0.03 0.54 0.02 1.88 -1.51 0.00 0.00 179.97 180.87 1x37 h TYR 44 N 0.85 1.08 0.00 2.20 -1.99 0.08 -3.38 116.97 115.80 1x37 h TYR 44 Ca 0.50 -0.17 0.00 0.00 2.00 0.00 0.00 58.73 61.06 1x37 h TYR 44 Cb 0.65 -0.29 0.00 0.00 2.00 0.00 0.00 36.73 39.10 1x37 h TYR 44 CO -0.00 0.95 0.00 0.66 -0.00 0.00 0.00 178.16 179.77 1x37 n TYR 45 N -4.19 0.00 -0.54 4.88 4.01 0.18 -3.92 117.16 117.57 1x37 n TYR 45 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1x37 n TYR 45 Cb 0.32 -0.09 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 1x37 n TYR 45 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1x37 n THR 46 N -1.84 0.00 -0.44 -0.72 -1.04 0.35 -4.87 114.28 105.72 1x37 n THR 46 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1x37 n THR 46 Cb 0.00 -0.54 0.00 0.00 -1.82 0.00 0.00 70.33 67.97 1x37 n THR 46 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1x37 n ARG 47 N 0.44 1.00 -1.20 -2.82 1.85 -1.26 -4.95 116.66 109.71 1x37 n ARG 47 Ca 0.00 0.00 0.14 0.00 -1.00 0.00 0.00 57.85 56.99 1x37 n ARG 47 Cb 0.26 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.62 1x37 n ARG 47 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1x37 n GLU 48 N -0.21 -2.36 -2.67 2.89 1.02 -1.26 -4.78 120.64 113.26 1x37 n GLU 48 Ca 0.00 1.71 -0.08 0.00 -0.02 0.00 0.00 57.16 58.77 1x37 n GLU 48 Cb 0.00 -2.92 0.04 0.00 -0.02 0.00 0.00 31.44 28.54 1x37 n GLU 48 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x37 n ALA 49 N -2.70 3.09 -3.66 0.62 0.00 -1.26 -5.06 120.51 111.54 1x37 n ALA 49 Ca -0.02 -2.86 -0.08 0.00 0.00 0.00 0.00 53.44 50.49 1x37 n ALA 49 Cb 0.64 -0.94 -0.09 0.00 0.00 0.00 0.00 19.45 19.05 1x37 n ALA 49 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1x37 s GLY 50 N -2.88 -0.41 0.21 0.00 0.00 -1.26 -5.03 107.32 97.94 1x37 s GLY 50 Ca 0.26 1.62 -0.10 0.00 0.00 0.00 0.00 44.72 46.51 1x37 s GLY 50 CO 0.02 2.41 1.80 -0.39 0.00 0.00 0.00 173.10 176.94 1x37 h VAL 51 N 6.06 0.95 -0.96 1.40 -1.51 -1.97 -1.11 116.25 119.11 1x37 h VAL 51 Ca -0.18 -0.22 0.26 0.00 -1.23 0.00 0.00 66.70 65.33 1x37 h VAL 51 Cb 1.12 0.26 -0.13 0.00 -2.13 0.00 0.00 31.29 30.40 1x37 h VAL 51 CO 0.14 0.12 0.49 -0.09 -1.23 0.00 0.00 177.57 177.00 1x37 h ARG 52 N 0.64 0.40 -0.11 5.19 2.43 -1.99 0.24 114.38 121.18 1x37 h ARG 52 Ca 0.29 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.42 1x37 h ARG 52 Cb 0.20 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1x37 h ARG 52 CO -0.19 0.26 -0.00 0.77 -1.51 0.00 0.00 179.97 179.30 1x37 h SER 53 N 0.41 0.19 -0.22 -3.80 0.02 -1.63 -1.27 113.55 107.24 1x37 h SER 53 Ca 0.64 -0.31 0.06 0.00 -0.84 0.00 0.00 61.79 61.34 1x37 h SER 53 Cb 1.32 -0.05 -0.07 0.00 0.14 0.00 0.00 62.40 63.74 1x37 h SER 53 CO -0.55 0.45 -0.32 -0.07 -1.14 0.00 0.00 176.83 175.20 1x37 h LEU 54 N -0.09 -1.03 -1.09 5.07 4.07 -0.31 0.32 115.31 122.27 1x37 h LEU 54 Ca 0.03 0.16 0.13 0.00 0.08 0.00 0.00 57.88 58.28 1x37 h LEU 54 Cb 0.36 0.45 -0.08 0.00 1.08 0.00 0.00 40.66 42.47 1x37 h LEU 54 CO 0.01 -0.34 0.62 -0.33 -1.08 0.00 0.00 178.44 177.31 1x37 h GLU 55 N -0.35 0.88 -0.72 1.13 3.07 -1.05 0.28 114.58 117.83 1x37 h GLU 55 Ca 0.12 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 58.88 1x37 h GLU 55 Cb 0.54 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 28.22 1x37 h GLU 55 CO -0.41 0.59 0.25 -0.09 -1.40 0.00 0.00 179.01 177.95 1x37 h ARG 56 N 0.91 1.08 -0.23 2.33 1.12 0.73 0.22 114.38 120.54 1x37 h ARG 56 Ca 0.48 -0.21 -0.02 0.00 -1.11 0.00 0.00 59.98 59.12 1x37 h ARG 56 Cb 0.55 -0.17 -0.01 0.00 -0.01 0.00 0.00 29.97 30.33 1x37 h ARG 56 CO -0.25 0.90 0.05 1.96 -3.11 0.00 0.00 179.97 179.52 1x37 h GLN 57 N 1.05 0.37 -0.35 0.20 1.08 0.13 0.22 115.11 117.81 1x37 h GLN 57 Ca 0.24 -0.09 -0.16 0.00 -1.45 0.00 0.00 58.65 57.18 1x37 h GLN 57 Cb 0.25 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.63 1x37 h GLN 57 CO -0.01 0.49 -0.43 -0.07 -0.95 0.00 0.00 178.83 177.86 1x37 h LEU 58 N 0.18 0.97 -0.97 1.46 3.38 -1.17 -1.73 115.31 117.43 1x37 h LEU 58 Ca 0.07 -0.46 -0.05 0.00 0.09 0.00 0.00 57.88 57.53 1x37 h LEU 58 Cb 0.29 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1x37 h LEU 58 CO 0.00 1.25 0.18 0.00 0.09 0.00 0.00 178.44 179.96 1x37 h ALA 59 N 0.78 1.17 0.37 1.53 0.00 -0.45 0.75 119.26 123.41 1x37 h ALA 59 Ca 0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1x37 h ALA 59 Cb 1.02 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1x37 h ALA 59 CO 0.10 0.57 -0.18 0.00 0.00 0.00 0.00 179.25 179.75 1x37 h ALA 60 N 1.30 -0.49 -0.49 0.00 0.00 -0.28 -1.91 119.26 117.38 1x37 h ALA 60 Ca 0.20 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1x37 h ALA 60 Cb 0.28 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1x37 h ALA 60 CO -0.01 -0.64 0.19 0.97 0.00 0.00 0.00 179.25 179.76 1x37 h ILE 61 N -0.77 1.21 0.18 0.00 2.10 -1.24 0.18 117.51 119.19 1x37 h ILE 61 Ca -0.05 -0.67 -0.00 0.00 1.08 0.00 0.00 64.86 65.22 1x37 h ILE 61 Cb 0.52 0.74 -0.01 0.00 -1.09 0.00 0.00 36.82 36.98 1x37 h ILE 61 CO 0.08 0.25 -0.21 0.00 -1.08 0.00 0.00 178.15 177.19 1x37 h ARG 63 N -0.40 0.65 -1.06 0.00 0.11 -1.37 -1.01 114.38 111.29 1x37 h ARG 63 Ca -0.02 -0.08 0.38 0.00 0.10 0.00 0.00 59.98 60.36 1x37 h ARG 63 Cb 0.36 -0.13 -0.16 0.00 1.11 0.00 0.00 29.97 31.15 1x37 h ARG 63 CO -0.04 0.51 0.62 -0.22 0.10 0.00 0.00 179.97 180.94 1x37 h LYS 64 N 0.61 0.16 -0.09 0.08 1.63 -0.47 2.61 116.57 121.09 1x37 h LYS 64 Ca 0.16 -0.01 -0.23 0.00 -0.85 0.00 0.00 60.65 59.73 1x37 h LYS 64 Cb 0.05 -0.04 0.01 0.00 -0.60 0.00 0.00 32.23 31.66 1x37 h LYS 64 CO -0.03 0.10 -0.84 0.00 -3.45 0.00 0.00 179.45 175.24 1x37 h ALA 65 N 1.85 0.33 0.54 5.00 0.00 -0.10 -1.97 119.26 124.90 1x37 h ALA 65 Ca 0.79 -0.63 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1x37 h ALA 65 Cb 2.06 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.84 1x37 h ALA 65 CO -0.62 0.71 -0.26 0.00 0.00 0.00 0.00 179.25 179.08 1x37 h ALA 66 N 0.61 -1.10 -0.99 0.00 0.00 0.54 -2.98 119.26 115.34 1x37 h ALA 66 Ca -0.07 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 54.82 1x37 h ALA 66 Cb 1.47 0.28 -0.09 0.00 0.00 0.00 0.00 17.79 19.45 1x37 h ALA 66 CO 0.16 -1.05 0.63 0.87 0.00 0.00 0.00 179.25 179.86 1x37 h LYS 67 N -0.78 0.91 0.00 0.00 1.79 -0.84 0.43 116.57 118.07 1x37 h LYS 67 Ca -0.07 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 1x37 h LYS 67 Cb 0.56 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 1x37 h LYS 67 CO 0.12 0.60 0.04 0.00 -1.08 0.00 0.00 179.45 179.13 1x37 n ALA 68 N -2.35 1.05 0.89 3.86 0.00 -0.74 -2.18 120.51 121.04 1x37 n ALA 68 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1x37 n ALA 68 Cb 0.39 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.99 1x37 n ALA 68 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1x37 n ILE 69 N -1.20 0.60 0.29 0.00 0.13 0.15 -4.29 119.36 115.05 1x37 n ILE 69 Ca 0.00 0.00 0.06 0.00 -1.10 0.00 0.00 62.75 61.71 1x37 n ILE 69 Cb 0.04 -0.78 0.33 0.00 -0.84 0.00 0.00 39.64 38.39 1x37 n ILE 69 CO 0.00 0.00 0.00 -0.37 2.80 0.00 0.00 176.55 178.98 1x37 h VAL 70 N 0.07 0.00 -0.85 9.51 -1.51 -1.67 -3.38 116.25 118.42 1x37 h VAL 70 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1x37 h VAL 70 Cb 0.75 0.27 0.00 0.00 -2.13 0.00 0.00 31.29 30.18 1x37 h VAL 70 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.34 1x37 n ALA 71 N -1.61 0.00 -1.50 5.19 0.00 -1.26 -5.06 120.51 116.26 1x37 n ALA 71 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.42 1x37 n ALA 71 Cb 0.67 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.11 1x37 n ALA 71 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1x37 n GLU 72 N 0.00 0.00 -0.87 0.00 4.07 -1.26 -4.96 120.64 117.62 1x37 n GLU 72 Ca 0.00 -0.13 -0.02 0.00 -0.06 0.00 0.00 57.16 56.95 1x37 n GLU 72 Cb 0.00 0.16 0.29 0.00 -0.06 0.00 0.00 31.44 31.83 1x37 n GLU 72 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1x37 n GLU 73 N 0.00 3.68 -3.15 5.31 -0.58 -1.26 -4.76 120.64 119.88 1x37 n GLU 73 Ca -0.04 -2.69 0.05 0.00 -0.42 0.00 0.00 57.16 54.06 1x37 n GLU 73 Cb 0.28 -2.12 -0.01 0.00 -0.57 0.00 0.00 31.44 29.02 1x37 n GLU 73 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1x37 s ARG 74 N -2.63 0.22 0.66 3.49 3.52 -1.26 -5.16 118.95 117.79 1x37 s ARG 74 Ca 0.48 0.29 -0.10 0.00 -0.13 0.00 0.00 55.73 56.27 1x37 s ARG 74 Cb 0.38 0.15 0.00 0.00 -1.56 0.00 0.00 34.95 33.91 1x37 s ARG 74 CO 0.12 -0.34 1.03 0.15 -0.81 0.00 0.00 175.30 175.45 1x37 s LYS 75 N 2.94 3.04 0.04 5.12 3.01 -1.26 -4.75 119.74 127.87 1x37 s LYS 75 Ca 0.15 0.41 0.00 0.00 -1.01 0.00 0.00 55.97 55.52 1x37 s LYS 75 Cb -0.06 -2.10 0.00 0.00 -1.01 0.00 0.00 37.83 34.66 1x37 s LYS 75 CO -0.19 -0.84 0.00 0.54 0.51 0.00 0.00 175.35 175.37 1x37 n ARG 76 N -2.84 -4.28 -3.28 1.68 1.74 -1.22 -4.88 116.66 103.58 1x37 n ARG 76 Ca 0.06 3.08 -0.39 0.00 -0.77 0.00 0.00 57.85 59.83 1x37 n ARG 76 Cb 0.57 -3.88 -0.07 0.00 -1.02 0.00 0.00 32.46 28.05 1x37 n ARG 76 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1x37 s ILE 77 N -0.48 5.12 0.01 0.55 1.01 -1.26 -4.87 121.20 121.29 1x37 s ILE 77 Ca 0.00 0.88 -0.21 0.00 0.00 0.00 0.00 60.65 61.31 1x37 s ILE 77 Cb 0.00 -3.81 -0.05 0.00 0.01 0.00 0.00 42.46 38.61 1x37 s ILE 77 CO 0.00 0.18 0.62 -0.89 0.00 0.00 0.00 174.94 174.85 1x37 s THR 78 N 1.69 4.86 -0.54 2.92 2.01 -1.26 -0.34 115.64 124.98 1x37 s THR 78 Ca 0.22 1.31 0.02 0.00 0.31 0.00 0.00 61.69 63.55 1x37 s THR 78 Cb -0.15 -3.96 0.14 0.00 0.01 0.00 0.00 72.50 68.53 1x37 s THR 78 CO 0.09 0.42 0.30 -0.69 -0.69 0.00 0.00 174.62 174.05 1x37 s VAL 79 N -0.24 2.96 0.43 3.82 1.01 -0.64 -4.94 120.40 122.80 1x37 s VAL 79 Ca 0.32 -3.10 -0.02 0.00 0.00 0.00 0.00 61.98 59.18 1x37 s VAL 79 Cb -0.19 -3.01 0.09 0.00 0.00 0.00 0.00 36.38 33.27 1x37 s VAL 79 CO 0.18 -0.81 0.58 0.35 0.00 0.00 0.00 175.10 175.41 1x37 n THR 80 N 3.36 0.00 0.22 3.92 -2.24 -1.26 -3.90 114.28 114.38 1x37 n THR 80 Ca 0.06 -0.76 0.09 0.00 -2.27 0.00 0.00 64.05 61.17 1x37 n THR 80 Cb 0.35 -1.28 0.50 0.00 -2.10 0.00 0.00 70.33 67.80 1x37 n THR 80 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1x37 h GLU 81 N 0.00 0.00 0.00 -0.78 9.09 -1.93 -2.70 114.58 118.26 1x37 h GLU 81 Ca -0.19 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.08 1x37 h GLU 81 Cb 0.65 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.73 1x37 h GLU 81 CO 0.18 0.24 -1.15 -0.22 0.05 0.00 0.00 179.01 178.11 1x37 h LYS 82 N 0.00 0.00 -0.47 1.06 3.64 -2.01 -3.33 116.57 115.47 1x37 h LYS 82 Ca -0.00 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 1x37 h LYS 82 Cb 0.67 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 1x37 h LYS 82 CO 0.03 0.33 -0.16 -0.97 -2.27 0.00 0.00 179.45 176.41 1x37 h ASN 83 N 0.00 0.91 0.00 4.20 -0.00 -1.83 -3.26 115.58 115.59 1x37 h ASN 83 Ca -0.11 -0.31 0.00 0.00 -0.00 0.00 0.00 56.30 55.88 1x37 h ASN 83 Cb 1.50 -0.25 0.00 0.00 -0.00 0.00 0.00 38.32 39.57 1x37 h ASN 83 CO 0.05 1.06 0.00 0.18 -0.00 0.00 0.00 177.43 178.72 1x37 n LEU 84 N -4.13 0.00 -0.34 0.34 4.32 -1.13 0.54 117.00 116.60 1x37 n LEU 84 Ca 0.01 0.90 0.32 0.00 -0.02 0.00 0.00 56.01 57.21 1x37 n LEU 84 Cb 0.41 -0.40 0.58 0.00 -1.62 0.00 0.00 43.42 42.40 1x37 n LEU 84 CO 0.45 -0.40 1.09 1.56 -1.22 0.00 0.00 177.39 178.87 1x37 h GLN 85 N 0.00 0.05 -0.91 3.23 4.20 -1.77 1.56 115.11 121.48 1x37 h GLN 85 Ca 0.00 -0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.72 1x37 h GLN 85 Cb 0.00 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.72 1x37 h GLN 85 CO 0.00 0.03 0.60 0.22 -0.67 0.00 0.00 178.83 179.01 1x37 h ASP 86 N 0.05 1.02 0.00 1.46 1.82 0.05 0.41 116.42 121.24 1x37 h ASP 86 Ca 0.83 -0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 57.43 1x37 h ASP 86 Cb 2.23 -0.25 -0.00 0.00 0.68 0.00 0.00 39.33 41.99 1x37 h ASP 86 CO -0.70 0.73 -0.13 -0.26 -1.61 0.00 0.00 179.24 177.27 1x37 h PHE 87 N 1.20 0.00 0.00 0.28 0.04 0.34 -3.42 116.94 115.38 1x37 h PHE 87 Ca 0.34 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.11 1x37 h PHE 87 Cb -0.09 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.06 1x37 h PHE 87 CO -0.00 0.98 0.00 -0.89 -0.60 0.00 0.00 178.31 177.80 1x37 n ILE 88 N -4.60 0.00 0.00 -0.55 5.41 0.14 -5.03 119.36 114.73 1x37 n ILE 88 Ca -0.12 0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.69 1x37 n ILE 88 Cb 0.47 -0.19 0.00 0.00 -0.71 0.00 0.00 39.64 39.20 1x37 n ILE 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1x37 n GLY 89 N 2.44 2.11 0.00 7.39 0.00 0.14 -5.00 105.19 112.28 1x37 n GLY 89 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1x37 n GLY 89 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x37 n LYS 90 N 0.00 2.96 0.00 1.61 5.02 -1.26 -4.81 118.16 121.69 1x37 n LYS 90 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1x37 n LYS 90 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1x37 n LYS 90 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1x37 n ARG 91 N 0.00 0.00 0.00 1.97 1.85 -1.26 -4.99 116.66 114.23 1x37 n ARG 91 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1x37 n ARG 91 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1x37 n ARG 91 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1x37 n ILE 92 N 0.00 0.00 -2.54 8.89 5.41 -1.26 -4.97 119.36 124.89 1x37 n ILE 92 Ca 0.00 0.00 -0.40 0.00 1.00 0.00 0.00 62.75 63.35 1x37 n ILE 92 Cb 0.00 -0.36 -0.03 0.00 -0.71 0.00 0.00 39.64 38.54 1x37 n ILE 92 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1x37 s PHE 93 N -1.56 2.45 -0.92 1.39 0.40 -1.25 -4.88 117.98 113.61 1x37 s PHE 93 Ca 0.00 -0.64 -0.00 0.00 -0.60 0.00 0.00 56.93 55.69 1x37 s PHE 93 Cb 0.00 -4.66 0.29 0.00 0.51 0.00 0.00 43.02 39.16 1x37 s PHE 93 CO 0.00 -1.96 1.21 2.89 0.70 0.00 0.00 175.22 178.06 1x37 n ARG 94 N 8.98 3.77 -0.24 0.44 1.85 -1.26 -5.03 116.66 125.16 1x37 n ARG 94 Ca 0.28 -4.60 0.00 0.00 -1.00 0.00 0.00 57.85 52.53 1x37 n ARG 94 Cb 0.51 -2.42 0.00 0.00 -1.05 0.00 0.00 32.46 29.49 1x37 n ARG 94 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28