#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 -1.75 3.85 0.00 0.00 -1.26 -5.16 105.19 100.87 1x37 n GLY 2 Ca 0.00 0.73 -0.33 0.00 0.00 0.00 0.00 46.02 46.42 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 0.00 3.37 0.48 1.61 -0.85 -1.26 -5.08 117.35 115.63 1x37 s TYR 3 Ca 0.00 1.26 0.00 0.00 -0.52 0.00 0.00 57.07 57.81 1x37 s TYR 3 Cb 0.00 -2.56 -0.00 0.00 0.38 0.00 0.00 41.96 39.77 1x37 s TYR 3 CO 0.00 0.08 0.02 0.25 -1.52 0.00 0.00 175.55 174.38 1x37 n THR 4 N -0.36 0.00 -0.05 -3.49 -2.24 -1.26 -4.96 114.28 101.92 1x37 n THR 4 Ca 0.04 -2.34 -0.14 0.00 -2.27 0.00 0.00 64.05 59.34 1x37 n THR 4 Cb 0.53 0.51 -0.08 0.00 -2.10 0.00 0.00 70.33 69.19 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 -0.48 -0.47 -0.78 5.08 -2.00 -1.30 114.58 114.63 1x37 h GLU 5 Ca -0.40 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.06 1x37 h GLU 5 Cb 1.24 0.11 -0.09 0.00 0.50 0.00 0.00 28.75 30.50 1x37 h GLU 5 CO 0.66 -0.32 -0.46 0.82 -1.00 0.00 0.00 179.01 178.71 1x37 h ILE 6 N -0.50 0.07 -0.43 3.13 5.03 -1.99 -1.33 117.51 121.49 1x37 h ILE 6 Ca 0.06 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.85 1x37 h ILE 6 Cb 0.65 0.07 -0.08 0.00 -3.03 0.00 0.00 36.82 34.43 1x37 h ILE 6 CO -0.48 0.00 -0.51 -0.33 -0.68 0.00 0.00 178.15 176.15 1x37 h GLU 7 N -0.31 -0.31 -1.00 2.37 4.39 -1.69 0.47 114.58 118.51 1x37 h GLU 7 Ca 0.14 0.02 0.31 0.00 0.34 0.00 0.00 59.36 60.17 1x37 h GLU 7 Cb 0.58 0.07 -0.15 0.00 -0.10 0.00 0.00 28.75 29.15 1x37 h GLU 7 CO -0.62 -0.21 0.56 0.87 -1.16 0.00 0.00 179.01 178.45 1x37 h LYS 8 N -0.32 0.34 -0.22 2.33 1.57 -0.23 0.31 116.57 120.35 1x37 h LYS 8 Ca 0.07 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 1x37 h LYS 8 Cb 0.52 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1x37 h LYS 8 CO -0.58 0.22 -0.12 1.25 -0.57 0.00 0.00 179.45 179.65 1x37 h LEU 9 N 0.35 0.49 -0.17 2.94 5.85 0.82 0.17 115.31 125.76 1x37 h LEU 9 Ca 0.72 -0.42 0.02 0.00 0.84 0.00 0.00 57.88 59.04 1x37 h LEU 9 Cb 1.61 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.48 1x37 h LEU 9 CO -0.59 0.81 0.03 -0.33 -0.34 0.00 0.00 178.44 178.01 1x37 h GLU 10 N 0.18 0.09 0.09 1.25 3.07 0.19 -1.23 114.58 118.22 1x37 h GLU 10 Ca 0.05 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1x37 h GLU 10 Cb 0.63 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 1x37 h GLU 10 CO 0.04 0.06 -0.04 -0.84 -1.40 0.00 0.00 179.01 176.82 1x37 h ILE 11 N 0.09 0.00 -1.12 3.13 3.07 -1.14 -1.33 117.51 120.21 1x37 h ILE 11 Ca 0.08 -0.28 0.43 0.00 1.55 0.00 0.00 64.86 66.63 1x37 h ILE 11 Cb 0.08 0.00 -0.16 0.00 -0.27 0.00 0.00 36.82 36.47 1x37 h ILE 11 CO -0.11 0.00 0.66 0.52 -1.05 0.00 0.00 178.15 178.17 1x37 n VAL 12 N -3.09 -0.33 0.12 0.16 0.31 0.60 0.18 118.33 116.27 1x37 n VAL 12 Ca -0.01 1.85 -0.24 0.00 -0.01 0.00 0.00 64.34 65.93 1x37 n VAL 12 Cb 0.05 -3.02 -0.15 0.00 -0.91 0.00 0.00 33.84 29.80 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 0.47 0.24 5.55 3.11 -1.29 -3.26 116.57 121.39 1x37 h LYS 13 Ca 0.83 -0.80 -0.34 0.00 -2.81 0.00 0.00 60.65 57.52 1x37 h LYS 13 Cb 2.40 0.30 0.03 0.00 -1.00 0.00 0.00 32.23 33.96 1x37 h LYS 13 CO -0.61 1.38 -1.53 0.22 -2.81 0.00 0.00 179.45 176.10 1x37 h ASP 14 N 0.13 0.78 -0.09 4.20 3.58 0.95 -3.37 116.42 122.60 1x37 h ASP 14 Ca -0.28 -0.89 -0.20 0.00 0.42 0.00 0.00 57.03 56.08 1x37 h ASP 14 Cb 2.14 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 42.93 1x37 h ASP 14 CO 0.24 1.71 -0.68 1.12 -2.88 0.00 0.00 179.24 178.75 1x37 h HIS 15 N 0.14 0.94 -1.10 0.28 2.07 -0.58 -3.30 115.15 113.59 1x37 h HIS 15 Ca -0.27 -0.38 0.41 0.00 -2.85 0.00 0.00 60.37 57.28 1x37 h HIS 15 Cb 2.15 -0.16 -0.14 0.00 2.57 0.00 0.00 27.41 31.83 1x37 h HIS 15 CO 0.12 1.18 0.66 1.47 -3.07 0.00 0.00 177.93 178.30 1x37 n LEU 16 N -3.94 0.25 0.01 6.12 -0.00 -1.23 -0.59 117.00 117.62 1x37 n LEU 16 Ca -0.05 1.38 -0.01 0.00 -0.00 0.00 0.00 56.01 57.33 1x37 n LEU 16 Cb 0.69 -0.67 -0.00 0.00 -0.00 0.00 0.00 43.42 43.43 1x37 n LEU 16 CO 0.51 -1.52 0.10 -0.07 -0.00 0.00 0.00 177.39 176.40 1x37 h LEU 17 N 0.00 -0.05 -0.01 1.47 3.38 -1.81 -3.28 115.31 115.01 1x37 h LEU 17 Ca 0.79 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.76 1x37 h LEU 17 Cb 2.34 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 43.10 1x37 h LEU 17 CO -0.55 0.05 0.01 1.55 0.09 0.00 0.00 178.44 179.58 1x37 h PRO 18 N -0.22 0.02 -0.04 1.13 0.13 -1.63 -0.32 132.00 131.07 1x37 h PRO 18 Ca -0.01 -0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.14 1x37 h PRO 18 Cb 0.04 -0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.11 1x37 h PRO 18 CO 0.01 0.16 -0.51 -0.22 -0.23 0.00 0.00 178.00 177.21 1x37 h LYS 19 N -0.13 -0.60 0.50 0.86 1.63 -1.06 0.14 116.57 117.91 1x37 h LYS 19 Ca 0.00 0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.82 1x37 h LYS 19 Cb 0.15 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1x37 h LYS 19 CO -0.00 -0.40 -0.24 1.96 -3.45 0.00 0.00 179.45 177.32 1x37 h GLN 20 N -0.62 -0.64 -1.10 1.90 7.50 -1.62 -2.83 115.11 117.69 1x37 h GLN 20 Ca 0.02 0.04 0.35 0.00 0.50 0.00 0.00 58.65 59.56 1x37 h GLN 20 Cb 0.68 0.15 -0.13 0.00 0.05 0.00 0.00 27.48 28.22 1x37 h GLN 20 CO -0.36 -0.36 0.67 0.82 -1.50 0.00 0.00 178.83 178.10 1x37 h ILE 21 N -0.84 0.27 0.00 2.54 1.08 -0.84 0.23 117.51 119.95 1x37 h ILE 21 Ca -0.07 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.32 1x37 h ILE 21 Cb 0.58 -0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.33 1x37 h ILE 21 CO 0.11 0.05 0.00 1.17 -0.69 0.00 0.00 178.15 178.79 1x37 n LYS 22 N -4.88 0.00 -0.36 2.37 4.81 0.48 0.41 118.16 120.99 1x37 n LYS 22 Ca 0.33 0.00 0.30 0.00 -0.87 0.00 0.00 58.31 58.06 1x37 n LYS 22 Cb 1.11 -0.68 0.55 0.00 0.02 0.00 0.00 35.03 36.03 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 0.16 0.21 1.64 4.39 -1.46 0.87 114.58 120.40 1x37 h GLU 23 Ca 0.00 -0.01 -0.33 0.00 0.34 0.00 0.00 59.36 59.36 1x37 h GLU 23 Cb 0.00 -0.04 0.02 0.00 -0.10 0.00 0.00 28.75 28.64 1x37 h GLU 23 CO 0.00 0.11 -1.49 0.45 -1.16 0.00 0.00 179.01 176.92 1x37 h HIS 24 N 0.17 0.81 -1.23 4.33 3.86 -0.62 -3.29 115.15 119.18 1x37 h HIS 24 Ca 0.79 -0.59 0.46 0.00 -1.16 0.00 0.00 60.37 59.86 1x37 h HIS 24 Cb 2.07 -0.03 -0.16 0.00 1.06 0.00 0.00 27.41 30.35 1x37 h HIS 24 CO -0.01 1.52 0.75 0.78 0.86 0.00 0.00 177.93 181.83 1x37 h GLY 25 N 0.64 1.74 -0.89 2.45 0.00 1.54 0.25 103.07 108.80 1x37 h GLY 25 Ca -0.25 -0.12 0.37 0.00 0.00 0.00 0.00 47.33 47.34 1x37 h GLY 25 CO 0.24 -0.62 0.49 1.04 0.00 0.00 0.00 176.54 177.69 1x37 n LEU 26 N -4.95 0.30 -5.00 3.11 4.77 -1.05 -4.24 117.00 109.94 1x37 n LEU 26 Ca 0.40 1.44 -0.18 0.00 -0.03 0.00 0.00 56.01 57.64 1x37 n LEU 26 Cb 1.46 -0.70 0.01 0.00 -2.33 0.00 0.00 43.42 41.86 1x37 n LEU 26 CO 0.11 -1.61 0.18 -0.54 -1.33 0.00 0.00 177.39 174.20 1x37 s LYS 27 N -5.32 2.82 0.81 3.23 3.01 0.86 -5.04 119.74 120.11 1x37 s LYS 27 Ca -0.08 -1.12 -0.16 0.00 -1.01 0.00 0.00 55.97 53.60 1x37 s LYS 27 Cb 0.30 -2.72 -0.07 0.00 -1.01 0.00 0.00 37.83 34.33 1x37 s LYS 27 CO 0.68 -0.31 0.03 1.17 0.51 0.00 0.00 175.35 177.44 1x37 n LYS 28 N -1.91 0.05 -1.52 1.68 4.81 -1.26 -4.43 118.16 115.57 1x37 n LYS 28 Ca 0.07 0.04 -0.23 0.00 -0.87 0.00 0.00 58.31 57.32 1x37 n LYS 28 Cb 0.59 -1.48 -0.17 0.00 0.02 0.00 0.00 35.03 34.00 1x37 n LYS 28 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1x37 n SER 29 N 0.97 -0.15 -3.24 3.14 3.41 -1.26 -4.74 113.62 111.75 1x37 n SER 29 Ca 0.06 -0.71 -0.32 0.00 -0.26 0.00 0.00 58.87 57.64 1x37 n SER 29 Cb 0.52 -0.95 -0.02 0.00 -0.26 0.00 0.00 64.21 63.50 1x37 n SER 29 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1x37 n ASN 30 N 10.31 5.35 -3.63 4.04 5.15 -1.26 -3.18 115.26 132.04 1x37 n ASN 30 Ca 0.60 -3.65 -0.02 0.00 -0.60 0.00 0.00 54.58 50.91 1x37 n ASN 30 Cb 0.23 -0.78 -0.05 0.00 -0.53 0.00 0.00 39.78 38.65 1x37 n ASN 30 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1x37 s LEU 31 N -3.60 -1.04 -0.40 1.20 2.96 -1.26 -4.36 118.68 112.18 1x37 s LEU 31 Ca 0.44 1.49 0.09 0.00 -0.22 0.00 0.00 54.13 55.93 1x37 s LEU 31 Cb 0.23 2.27 0.30 0.00 0.50 0.00 0.00 46.19 49.49 1x37 s LEU 31 CO -0.11 -0.21 0.73 0.00 -1.32 0.00 0.00 176.35 175.44 1x37 n GLN 32 N 5.07 0.88 -2.92 1.98 1.13 0.58 -4.73 117.38 119.36 1x37 n GLN 32 Ca -0.14 -2.98 -0.18 0.00 -1.94 0.00 0.00 57.00 51.76 1x37 n GLN 32 Cb 0.52 -1.44 0.02 0.00 0.11 0.00 0.00 30.24 29.45 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 -1.86 3.55 0.11 1.08 0.05 -1.26 -1.37 118.68 118.97 1x37 s LEU 33 Ca 0.35 -0.34 0.03 0.00 0.05 0.00 0.00 54.13 54.22 1x37 s LEU 33 Cb 0.28 -2.67 -0.04 0.00 -2.05 0.00 0.00 46.19 41.71 1x37 s LEU 33 CO -0.10 -0.87 -0.09 -0.13 -0.55 0.00 0.00 176.35 174.61 1x37 s ARG 34 N -4.46 0.89 0.22 1.48 0.52 -1.25 -4.91 118.95 111.44 1x37 s ARG 34 Ca 0.56 -1.26 -0.12 0.00 -0.52 0.00 0.00 55.73 54.38 1x37 s ARG 34 Cb -0.10 -0.46 0.28 0.00 0.52 0.00 0.00 34.95 35.18 1x37 s ARG 34 CO 0.34 0.05 1.63 -0.44 0.02 0.00 0.00 175.30 176.90 1x37 h ASP 35 N 3.25 -0.55 -1.00 0.23 3.32 -1.98 0.51 116.42 120.20 1x37 h ASP 35 Ca -0.37 0.19 0.14 0.00 0.02 0.00 0.00 57.03 57.02 1x37 h ASP 35 Cb 1.18 0.39 -0.09 0.00 0.22 0.00 0.00 39.33 41.03 1x37 h ASP 35 CO 0.58 -0.21 0.63 0.06 -1.72 0.00 0.00 179.24 178.58 1x37 h GLN 36 N 0.02 0.90 0.00 3.56 3.07 -1.96 -1.90 115.11 118.80 1x37 h GLN 36 Ca 0.33 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 59.01 1x37 h GLN 36 Cb 0.51 -0.20 0.00 0.00 0.08 0.00 0.00 27.48 27.87 1x37 h GLN 36 CO -0.66 0.60 0.00 0.00 0.09 0.00 0.00 178.83 178.85 1x37 n ALA 37 N -2.35 -0.20 -0.33 0.06 0.00 0.18 -1.26 120.51 116.62 1x37 n ALA 37 Ca 0.20 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.88 1x37 n ALA 37 Cb 0.41 0.10 0.46 0.00 0.00 0.00 0.00 19.45 20.42 1x37 n ALA 37 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1x37 h ILE 38 N 0.00 0.08 -0.36 0.00 1.08 -1.38 0.79 117.51 117.72 1x37 h ILE 38 Ca 0.00 -0.02 0.06 0.00 -0.39 0.00 0.00 64.86 64.51 1x37 h ILE 38 Cb 0.00 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 33.70 1x37 h ILE 38 CO 0.00 0.01 0.03 -0.07 -0.69 0.00 0.00 178.15 177.43 1x37 h LEU 39 N 0.07 -0.08 -0.88 1.44 3.38 -0.88 -1.03 115.31 117.32 1x37 h LEU 39 Ca 0.73 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.74 1x37 h LEU 39 Cb 1.76 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 42.60 1x37 h LEU 39 CO -0.78 -0.01 0.39 0.44 0.09 0.00 0.00 178.44 178.57 1x37 h ASP 40 N 0.14 1.09 0.28 -0.43 3.32 0.20 0.78 116.42 121.80 1x37 h ASP 40 Ca 0.18 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1x37 h ASP 40 Cb 0.23 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1x37 h ASP 40 CO -0.27 0.92 -0.21 0.40 -1.72 0.00 0.00 179.24 178.36 1x37 h ILE 41 N 1.19 0.00 -0.79 0.35 2.04 -0.25 0.16 117.51 120.21 1x37 h ILE 41 Ca 0.29 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.16 1x37 h ILE 41 Cb 0.13 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.16 1x37 h ILE 41 CO -0.03 0.00 0.52 0.16 0.00 0.00 0.00 178.15 178.79 1x37 h ILE 42 N -0.47 1.18 -0.97 -0.67 3.07 -1.34 -2.03 117.51 116.28 1x37 h ILE 42 Ca -0.04 -0.36 0.07 0.00 1.55 0.00 0.00 64.86 66.09 1x37 h ILE 42 Cb 0.39 0.04 -0.07 0.00 -0.27 0.00 0.00 36.82 36.92 1x37 h ILE 42 CO 0.01 0.19 0.63 -0.09 -1.05 0.00 0.00 178.15 177.84 1x37 h ARG 43 N 1.04 1.08 -0.87 0.16 2.43 -0.68 3.04 114.38 120.57 1x37 h ARG 43 Ca 0.30 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.38 1x37 h ARG 43 Cb -0.08 -0.24 -0.04 0.00 -0.42 0.00 0.00 29.97 29.19 1x37 h ARG 43 CO -0.08 0.71 0.44 1.88 -1.51 0.00 0.00 179.97 181.41 1x37 h TYR 44 N 1.11 1.24 -0.26 2.20 -1.99 0.07 -3.38 116.97 115.96 1x37 h TYR 44 Ca 0.42 -0.05 -0.27 0.00 2.00 0.00 0.00 58.73 60.83 1x37 h TYR 44 Cb 0.21 -0.39 -0.18 0.00 2.00 0.00 0.00 36.73 38.37 1x37 h TYR 44 CO -0.00 0.88 -0.54 2.48 -0.00 0.00 0.00 178.16 180.97 1x37 n TYR 45 N -4.31 -2.56 0.18 4.88 4.11 -0.60 -3.01 117.16 115.85 1x37 n TYR 45 Ca 0.09 -2.29 0.11 0.00 -0.00 0.00 0.00 57.90 55.81 1x37 n TYR 45 Cb 0.13 1.36 0.60 0.00 -0.00 0.00 0.00 39.34 41.43 1x37 n TYR 45 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1x37 h THR 46 N 2.76 0.00 -0.64 -3.48 1.03 0.53 -3.45 112.91 109.66 1x37 h THR 46 Ca -0.08 0.00 -0.53 0.00 -0.01 0.00 0.00 66.41 65.79 1x37 h THR 46 Cb 1.07 0.49 0.02 0.00 -1.07 0.00 0.00 68.15 68.66 1x37 h THR 46 CO 0.20 0.00 0.18 -2.11 -0.01 0.00 0.00 175.52 173.78 1x37 n ARG 47 N -2.29 0.00 -3.76 0.00 -4.01 -1.26 -4.88 116.66 100.46 1x37 n ARG 47 Ca -0.01 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.80 1x37 n ARG 47 Cb 0.09 -0.96 0.02 0.00 -3.04 0.00 0.00 32.46 28.57 1x37 n ARG 47 CO 0.00 0.00 0.00 -0.85 -3.04 0.00 0.00 177.63 173.74 1x37 n GLU 48 N 1.52 0.37 -2.78 2.89 -0.00 -1.26 -5.01 120.64 116.38 1x37 n GLU 48 Ca 0.15 -1.03 -0.01 0.00 -0.00 0.00 0.00 57.16 56.28 1x37 n GLU 48 Cb 0.02 1.50 0.08 0.00 -0.00 0.00 0.00 31.44 33.04 1x37 n GLU 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1x37 n ALA 49 N -1.03 2.69 0.00 -1.84 0.00 -1.26 -5.09 120.51 113.98 1x37 n ALA 49 Ca -0.11 -2.16 0.00 0.00 0.00 0.00 0.00 53.44 51.17 1x37 n ALA 49 Cb 0.54 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.12 1x37 n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x37 n GLY 50 N -0.90 3.96 0.34 0.00 0.00 -1.26 -4.94 105.19 102.38 1x37 n GLY 50 Ca -0.01 -0.34 0.05 0.00 0.00 0.00 0.00 46.02 45.72 1x37 n GLY 50 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1x37 h VAL 51 N 0.00 0.90 -0.64 1.61 -1.51 -1.98 -1.36 116.25 113.26 1x37 h VAL 51 Ca 0.00 -0.31 0.13 0.00 -1.23 0.00 0.00 66.70 65.29 1x37 h VAL 51 Cb 0.00 -0.07 -0.12 0.00 -2.13 0.00 0.00 31.29 28.97 1x37 h VAL 51 CO 0.00 0.16 -0.16 -0.09 -1.23 0.00 0.00 177.57 176.25 1x37 h ARG 52 N 0.89 -0.00 -0.40 5.19 1.12 -1.99 0.19 114.38 119.38 1x37 h ARG 52 Ca 0.46 0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 59.27 1x37 h ARG 52 Cb 0.45 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.39 1x37 h ARG 52 CO -0.26 -0.00 0.02 0.66 -3.11 0.00 0.00 179.97 177.28 1x37 h SER 53 N -0.00 0.67 -0.26 -3.80 4.64 -1.64 -1.57 113.55 111.60 1x37 h SER 53 Ca 0.31 -0.29 0.06 0.00 -0.47 0.00 0.00 61.79 61.40 1x37 h SER 53 Cb 0.47 -0.18 -0.07 0.00 -0.31 0.00 0.00 62.40 62.31 1x37 h SER 53 CO -0.66 0.80 -0.25 0.25 -0.87 0.00 0.00 176.83 176.09 1x37 h LEU 54 N 0.52 -0.80 -1.07 5.97 6.46 -0.23 0.36 115.31 126.52 1x37 h LEU 54 Ca 0.12 0.14 0.10 0.00 -0.12 0.00 0.00 57.88 58.12 1x37 h LEU 54 Cb 0.44 0.38 -0.08 0.00 -0.73 0.00 0.00 40.66 40.67 1x37 h LEU 54 CO 0.02 -0.28 0.62 -0.08 -0.62 0.00 0.00 178.44 178.09 1x37 h GLU 55 N -0.25 0.97 -0.82 1.25 4.81 -0.56 0.03 114.58 120.01 1x37 h GLU 55 Ca 0.14 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1x37 h GLU 55 Cb 0.47 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 1x37 h GLU 55 CO -0.40 0.64 0.39 -0.09 -0.73 0.00 0.00 179.01 178.82 1x37 h ARG 56 N 1.00 1.17 -0.25 1.92 2.43 0.61 0.14 114.38 121.40 1x37 h ARG 56 Ca 0.46 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.45 1x37 h ARG 56 Cb 0.41 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1x37 h ARG 56 CO -0.22 0.90 0.11 1.96 -1.51 0.00 0.00 179.97 181.21 1x37 h GLN 57 N 1.16 0.37 -0.20 0.20 4.20 0.12 0.23 115.11 121.19 1x37 h GLN 57 Ca 0.28 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.90 1x37 h GLN 57 Cb 0.12 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1x37 h GLN 57 CO -0.04 0.39 0.00 -0.07 -0.67 0.00 0.00 178.83 178.44 1x37 h LEU 58 N 0.26 0.34 -1.21 1.46 3.38 -1.05 -1.23 115.31 117.27 1x37 h LEU 58 Ca 0.08 -0.31 0.07 0.00 0.09 0.00 0.00 57.88 57.81 1x37 h LEU 58 Cb 0.15 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 1x37 h LEU 58 CO -0.01 0.57 0.56 0.00 0.09 0.00 0.00 178.44 179.65 1x37 h ALA 59 N 0.79 1.57 0.71 1.53 0.00 -0.58 0.11 119.26 123.39 1x37 h ALA 59 Ca 0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1x37 h ALA 59 Cb 0.39 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1x37 h ALA 59 CO 0.01 0.29 -0.34 0.00 0.00 0.00 0.00 179.25 179.21 1x37 h ALA 60 N 1.54 -0.95 -0.82 0.00 0.00 -0.07 -1.77 119.26 117.19 1x37 h ALA 60 Ca 0.37 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1x37 h ALA 60 Cb 0.24 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1x37 h ALA 60 CO -0.14 -0.93 0.52 0.97 0.00 0.00 0.00 179.25 179.67 1x37 h ILE 61 N -1.15 1.22 0.11 0.00 2.10 -0.98 0.22 117.51 119.03 1x37 h ILE 61 Ca -0.10 -0.43 -0.00 0.00 1.08 0.00 0.00 64.86 65.41 1x37 h ILE 61 Cb 0.75 0.03 -0.00 0.00 -1.09 0.00 0.00 36.82 36.52 1x37 h ILE 61 CO 0.16 0.22 -0.09 0.00 -1.08 0.00 0.00 178.15 177.36 1x37 h ARG 63 N -0.20 0.61 -1.05 0.00 0.11 -1.31 0.64 114.38 113.19 1x37 h ARG 63 Ca -0.01 -0.04 0.36 0.00 0.10 0.00 0.00 59.98 60.39 1x37 h ARG 63 Cb 0.16 -0.14 -0.15 0.00 1.11 0.00 0.00 29.97 30.96 1x37 h ARG 63 CO -0.00 0.40 0.61 -0.22 0.10 0.00 0.00 179.97 180.86 1x37 h LYS 64 N 0.63 0.21 -0.19 0.08 1.63 -0.43 2.78 116.57 121.28 1x37 h LYS 64 Ca 0.24 -0.01 -0.20 0.00 -0.85 0.00 0.00 60.65 59.83 1x37 h LYS 64 Cb 0.08 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.67 1x37 h LYS 64 CO -0.13 0.14 -0.66 0.00 -3.45 0.00 0.00 179.45 175.35 1x37 h ALA 65 N 1.84 0.47 -0.99 5.00 0.00 0.26 -3.00 119.26 122.85 1x37 h ALA 65 Ca 0.77 -0.56 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1x37 h ALA 65 Cb 1.93 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.61 1x37 h ALA 65 CO -0.61 0.70 0.65 0.00 0.00 0.00 0.00 179.25 179.99 1x37 h ALA 66 N 0.73 1.36 -0.73 0.00 0.00 0.59 -1.79 119.26 119.41 1x37 h ALA 66 Ca -0.02 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1x37 h ALA 66 Cb 1.26 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1x37 h ALA 66 CO 0.13 0.55 0.26 0.87 0.00 0.00 0.00 179.25 181.06 1x37 h LYS 67 N 1.25 1.11 0.00 0.00 1.57 -0.59 -1.71 116.57 118.20 1x37 h LYS 67 Ca 0.39 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1x37 h LYS 67 Cb -0.00 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.13 1x37 h LYS 67 CO -0.12 0.93 0.10 0.00 -0.57 0.00 0.00 179.45 179.79 1x37 n ALA 68 N -2.44 0.82 -0.25 3.86 0.00 -0.67 -2.16 120.51 119.66 1x37 n ALA 68 Ca 0.06 0.00 0.32 0.00 0.00 0.00 0.00 53.44 53.82 1x37 n ALA 68 Cb 0.21 -0.69 0.74 0.00 0.00 0.00 0.00 19.45 19.70 1x37 n ALA 68 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1x37 h ILE 69 N 0.00 0.43 0.00 0.00 6.09 -1.38 0.78 117.51 123.43 1x37 h ILE 69 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1x37 h ILE 69 Cb 0.20 0.45 0.00 0.00 0.47 0.00 0.00 36.82 37.94 1x37 h ILE 69 CO 0.00 0.00 0.15 0.52 -3.07 0.00 0.00 178.15 175.75 1x37 n VAL 70 N -4.14 0.96 -1.20 2.19 0.31 -0.92 -1.69 118.33 113.84 1x37 n VAL 70 Ca 0.22 0.69 -0.36 0.00 -0.01 0.00 0.00 64.34 64.88 1x37 n VAL 70 Cb 1.13 -1.69 -0.09 0.00 -0.91 0.00 0.00 33.84 32.28 1x37 n VAL 70 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x37 n ALA 71 N -1.61 1.74 -2.83 3.52 0.00 0.27 -3.65 120.51 117.95 1x37 n ALA 71 Ca -0.01 -2.89 -0.22 0.00 0.00 0.00 0.00 53.44 50.32 1x37 n ALA 71 Cb 0.17 -3.59 0.02 0.00 0.00 0.00 0.00 19.45 16.05 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 7.75 -3.89 -2.92 0.00 2.13 -1.26 -3.74 120.64 118.71 1x37 n GLU 72 Ca 0.46 0.94 -0.01 0.00 0.66 0.00 0.00 57.16 59.22 1x37 n GLU 72 Cb 0.43 -5.75 0.00 0.00 0.27 0.00 0.00 31.44 26.40 1x37 n GLU 72 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1x37 n GLU 73 N -3.72 -2.18 -0.18 5.31 1.02 -0.68 -5.00 120.64 115.21 1x37 n GLU 73 Ca -0.16 1.96 0.00 0.00 -0.02 0.00 0.00 57.16 58.95 1x37 n GLU 73 Cb 0.64 -3.61 0.00 0.00 -0.02 0.00 0.00 31.44 28.46 1x37 n GLU 73 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1x37 n ARG 74 N 0.90 1.03 -3.65 3.49 5.12 -1.11 -5.05 116.66 117.39 1x37 n ARG 74 Ca 0.00 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.83 1x37 n ARG 74 Cb 0.22 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.45 1x37 n ARG 74 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 1x37 s LYS 75 N -0.80 0.69 -0.11 5.56 0.00 -1.26 -5.04 119.74 118.79 1x37 s LYS 75 Ca 0.00 1.12 -0.01 0.00 0.00 0.00 0.00 55.97 57.08 1x37 s LYS 75 Cb 0.00 0.18 0.00 0.00 0.00 0.00 0.00 37.83 38.01 1x37 s LYS 75 CO 0.00 -0.14 0.02 0.54 0.00 0.00 0.00 175.35 175.78 1x37 n ARG 76 N 3.95 -1.77 -2.72 1.78 1.74 -1.19 -4.82 116.66 113.63 1x37 n ARG 76 Ca -0.19 1.68 -0.43 0.00 -0.77 0.00 0.00 57.85 58.14 1x37 n ARG 76 Cb 0.58 -2.61 -0.03 0.00 -1.02 0.00 0.00 32.46 29.38 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 -1.00 4.71 0.13 0.55 1.01 -1.26 -4.79 121.20 120.55 1x37 s ILE 77 Ca -0.03 1.90 -0.25 0.00 0.00 0.00 0.00 60.65 62.27 1x37 s ILE 77 Cb 0.00 -4.27 -0.07 0.00 0.01 0.00 0.00 42.46 38.13 1x37 s ILE 77 CO 0.30 -0.17 0.77 -0.89 0.00 0.00 0.00 174.94 174.95 1x37 s THR 78 N 3.13 4.49 -0.28 2.92 2.01 -1.26 -0.31 115.64 126.34 1x37 s THR 78 Ca 0.42 1.67 0.01 0.00 0.31 0.00 0.00 61.69 64.10 1x37 s THR 78 Cb -0.15 -4.12 0.08 0.00 0.01 0.00 0.00 72.50 68.31 1x37 s THR 78 CO 0.07 0.48 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.78 1x37 s VAL 79 N -0.82 1.63 0.00 3.82 1.01 -0.47 -4.89 120.40 120.67 1x37 s VAL 79 Ca 0.36 -1.55 0.00 0.00 0.00 0.00 0.00 61.98 60.79 1x37 s VAL 79 Cb -0.22 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.14 1x37 s VAL 79 CO 0.25 -0.33 0.00 0.35 0.00 0.00 0.00 175.10 175.37 1x37 n THR 80 N 4.59 0.00 -0.27 3.92 -2.24 -1.26 -3.76 114.28 115.26 1x37 n THR 80 Ca -0.06 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.75 1x37 n THR 80 Cb 0.43 0.00 0.26 0.00 -2.10 0.00 0.00 70.33 68.92 1x37 n THR 80 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1x37 n GLU 81 N 0.00 3.46 0.00 -0.78 0.28 -1.26 -3.95 120.64 118.39 1x37 n GLU 81 Ca 0.00 -2.08 0.00 0.00 -0.16 0.00 0.00 57.16 54.92 1x37 n GLU 81 Cb 0.00 -1.99 0.00 0.00 1.43 0.00 0.00 31.44 30.88 1x37 n GLU 81 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1x37 n LYS 82 N 0.34 2.29 -0.06 3.44 3.00 -1.26 -4.78 118.16 121.12 1x37 n LYS 82 Ca 0.20 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.39 1x37 n LYS 82 Cb 0.91 -0.69 0.01 0.00 0.00 0.00 0.00 35.03 35.26 1x37 n LYS 82 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 1x37 h ASN 83 N 0.00 0.84 -1.01 3.14 4.21 -1.91 -2.98 115.58 117.88 1x37 h ASN 83 Ca 0.00 -0.42 0.23 0.00 1.21 0.00 0.00 56.30 57.32 1x37 h ASN 83 Cb 0.25 -0.24 -0.11 0.00 -1.12 0.00 0.00 38.32 37.09 1x37 h ASN 83 CO 0.00 1.18 0.61 0.17 -1.29 0.00 0.00 177.43 178.11 1x37 h LEU 84 N 0.61 0.68 -0.48 1.61 -0.00 -1.87 0.39 115.31 116.25 1x37 h LEU 84 Ca 0.03 0.11 -0.15 0.00 -0.00 0.00 0.00 57.88 57.88 1x37 h LEU 84 Cb 1.06 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.72 1x37 h LEU 84 CO 0.10 0.16 -0.32 -0.61 -0.00 0.00 0.00 178.44 177.78 1x37 h GLN 85 N 0.62 0.91 -0.95 0.17 4.15 -1.85 -0.52 115.11 117.64 1x37 h GLN 85 Ca 0.61 -0.44 0.02 0.00 0.77 0.00 0.00 58.65 59.61 1x37 h GLN 85 Cb 1.15 -0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.79 1x37 h GLN 85 CO -0.41 1.09 0.63 0.22 -1.93 0.00 0.00 178.83 178.42 1x37 h ASP 86 N 0.76 1.08 0.00 -0.69 1.82 -0.20 1.18 116.42 120.37 1x37 h ASP 86 Ca 0.08 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.69 1x37 h ASP 86 Cb 0.89 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 40.64 1x37 h ASP 86 CO 0.08 0.77 -0.00 -0.26 -1.61 0.00 0.00 179.24 178.22 1x37 h PHE 87 N 1.27 0.00 0.22 0.28 0.04 -1.10 -3.41 116.94 114.25 1x37 h PHE 87 Ca 0.35 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.11 1x37 h PHE 87 Cb -0.12 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.04 1x37 h PHE 87 CO -0.00 0.00 -0.11 0.82 -0.60 0.00 0.00 178.31 178.42 1x37 h ILE 88 N -0.62 0.33 0.00 -0.55 2.04 -1.14 -3.45 117.51 114.12 1x37 h ILE 88 Ca 0.00 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 64.94 1x37 h ILE 88 Cb 0.00 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1x37 h ILE 88 CO 0.00 0.09 0.00 0.61 0.00 0.00 0.00 178.15 178.85 1x37 n GLY 89 N 0.83 0.47 3.56 5.37 0.00 0.41 -4.77 105.19 111.05 1x37 n GLY 89 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 1x37 n GLY 89 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x37 s LYS 90 N 0.00 3.27 0.40 1.61 2.47 -1.26 -4.96 119.74 121.27 1x37 s LYS 90 Ca 0.00 -0.76 0.08 0.00 -1.56 0.00 0.00 55.97 53.72 1x37 s LYS 90 Cb 0.00 -5.13 -0.04 0.00 -1.46 0.00 0.00 37.83 31.21 1x37 s LYS 90 CO 0.00 -2.50 0.28 -0.98 0.16 0.00 0.00 175.35 172.31 1x37 s ARG 91 N 5.62 2.41 0.00 4.03 1.70 -1.26 -5.08 118.95 126.37 1x37 s ARG 91 Ca 0.51 -1.64 0.00 0.00 -0.47 0.00 0.00 55.73 54.13 1x37 s ARG 91 Cb -0.03 -2.21 0.00 0.00 -0.57 0.00 0.00 34.95 32.14 1x37 s ARG 91 CO -0.04 -0.12 0.00 -0.89 -1.08 0.00 0.00 175.30 173.17 1x37 n ILE 92 N -1.38 0.00 -1.72 4.99 5.41 -1.26 -4.85 119.36 120.55 1x37 n ILE 92 Ca 0.01 0.15 -0.17 0.00 1.00 0.00 0.00 62.75 63.74 1x37 n ILE 92 Cb 0.63 -1.06 -0.06 0.00 -0.71 0.00 0.00 39.64 38.43 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 -0.62 1.34 -1.06 1.39 0.08 -1.16 -4.84 117.98 113.10 1x37 s PHE 93 Ca 0.00 1.59 -0.11 0.00 0.12 0.00 0.00 56.93 58.53 1x37 s PHE 93 Cb 0.00 -3.62 0.25 0.00 -0.57 0.00 0.00 43.02 39.08 1x37 s PHE 93 CO 0.00 -1.60 1.08 -0.98 -0.10 0.00 0.00 175.22 173.62 1x37 s ARG 94 N 8.32 4.05 0.00 0.44 1.70 -1.26 -4.87 118.95 127.33 1x37 s ARG 94 Ca 0.86 -2.95 0.00 0.00 -0.47 0.00 0.00 55.73 53.17 1x37 s ARG 94 Cb -0.11 -4.60 0.00 0.00 -0.57 0.00 0.00 34.95 29.67 1x37 s ARG 94 CO 0.05 -1.33 0.00 0.66 -1.08 0.00 0.00 175.30 173.61