#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 0.10 3.66 0.00 0.00 -1.26 -5.11 105.19 102.58 1x37 n GLY 2 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 3.38 0.54 1.61 1.13 -1.26 -5.05 117.35 117.70 1x37 s TYR 3 Ca 0.00 0.97 0.08 0.00 -1.41 0.00 0.00 57.07 56.71 1x37 s TYR 3 Cb 0.00 -2.83 0.09 0.00 -1.10 0.00 0.00 41.96 38.12 1x37 s TYR 3 CO 0.00 -0.19 0.74 0.25 -2.51 0.00 0.00 175.55 173.84 1x37 n THR 4 N 4.72 0.00 -0.21 -3.49 -2.24 -1.26 -4.89 114.28 106.92 1x37 n THR 4 Ca -0.00 -1.70 0.00 0.00 -2.27 0.00 0.00 64.05 60.08 1x37 n THR 4 Cb 0.49 -0.61 0.11 0.00 -2.10 0.00 0.00 70.33 68.23 1x37 n THR 4 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1x37 h GLU 5 N 0.00 0.42 -0.08 -0.78 4.11 -2.00 -1.55 114.58 114.71 1x37 h GLU 5 Ca -0.25 -0.03 0.04 0.00 0.07 0.00 0.00 59.36 59.20 1x37 h GLU 5 Cb 1.12 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.22 1x37 h GLU 5 CO 0.34 0.28 -0.27 0.82 0.07 0.00 0.00 179.01 180.25 1x37 h ILE 6 N 0.43 0.38 -0.39 -1.06 2.04 -2.00 -1.36 117.51 115.55 1x37 h ILE 6 Ca 0.31 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.25 1x37 h ILE 6 Cb 0.38 0.38 -0.08 0.00 -0.74 0.00 0.00 36.82 36.76 1x37 h ILE 6 CO -0.30 0.00 -0.15 -0.33 0.00 0.00 0.00 178.15 177.37 1x37 h GLU 7 N -0.37 -0.07 -0.70 2.37 4.39 -1.70 -0.15 114.58 118.35 1x37 h GLU 7 Ca 0.08 0.00 0.15 0.00 0.34 0.00 0.00 59.36 59.94 1x37 h GLU 7 Cb 0.49 0.02 -0.13 0.00 -0.10 0.00 0.00 28.75 29.03 1x37 h GLU 7 CO -0.29 -0.05 -0.10 -0.22 -1.16 0.00 0.00 179.01 177.19 1x37 h LYS 8 N -0.07 0.04 -0.34 2.33 3.64 -0.34 0.18 116.57 122.00 1x37 h LYS 8 Ca 0.19 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1x37 h LYS 8 Cb 0.37 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1x37 h LYS 8 CO -0.44 0.02 0.20 -0.07 -2.27 0.00 0.00 179.45 176.90 1x37 h LEU 9 N 0.04 0.34 0.12 5.20 4.07 -0.22 0.21 115.31 125.07 1x37 h LEU 9 Ca 0.35 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.31 1x37 h LEU 9 Cb 0.57 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 42.24 1x37 h LEU 9 CO -0.68 0.24 -0.11 -0.08 -1.08 0.00 0.00 178.44 176.74 1x37 h GLU 10 N 0.42 -0.22 0.42 1.13 4.81 0.23 -1.25 114.58 120.12 1x37 h GLU 10 Ca 0.13 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1x37 h GLU 10 Cb -0.01 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1x37 h GLU 10 CO -0.06 -0.15 -0.43 -0.84 -0.73 0.00 0.00 179.01 176.81 1x37 h ILE 11 N -0.23 0.00 -1.12 2.32 3.07 -1.15 -0.42 117.51 119.98 1x37 h ILE 11 Ca -0.02 0.00 0.43 0.00 1.55 0.00 0.00 64.86 66.82 1x37 h ILE 11 Cb 0.19 0.00 -0.16 0.00 -0.27 0.00 0.00 36.82 36.58 1x37 h ILE 11 CO -0.00 0.00 0.66 0.52 -1.05 0.00 0.00 178.15 178.28 1x37 n VAL 12 N -5.03 -0.34 0.12 0.16 0.31 0.75 0.00 118.33 114.31 1x37 n VAL 12 Ca -0.10 1.87 -0.24 0.00 -0.01 0.00 0.00 64.34 65.85 1x37 n VAL 12 Cb 0.39 -3.04 -0.16 0.00 -0.91 0.00 0.00 33.84 30.12 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 0.49 0.24 5.55 3.64 -0.41 -3.24 116.57 122.84 1x37 h LYS 13 Ca 0.83 -0.83 -0.34 0.00 -1.27 0.00 0.00 60.65 59.04 1x37 h LYS 13 Cb 2.41 0.31 0.03 0.00 -0.41 0.00 0.00 32.23 34.57 1x37 h LYS 13 CO -0.62 1.40 -1.54 0.22 -2.27 0.00 0.00 179.45 176.64 1x37 h ASP 14 N 0.13 0.78 -0.09 4.20 1.82 0.12 -3.37 116.42 120.01 1x37 h ASP 14 Ca -0.29 -0.90 -0.19 0.00 -0.39 0.00 0.00 57.03 55.25 1x37 h ASP 14 Cb 2.14 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 41.90 1x37 h ASP 14 CO 0.24 1.72 -0.66 1.12 -1.61 0.00 0.00 179.24 180.05 1x37 h HIS 15 N 0.14 0.93 -1.18 0.28 2.07 -0.61 -3.27 115.15 113.50 1x37 h HIS 15 Ca -0.27 -0.37 0.43 0.00 -2.85 0.00 0.00 60.37 57.31 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 1.17 0.73 1.47 -3.07 0.00 0.00 177.93 178.35 1x37 n LEU 16 N -3.95 0.24 0.02 6.12 -0.00 -1.22 -0.32 117.00 117.89 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 0.68 -0.68 -0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1x37 n LEU 16 CO 0.50 -1.52 0.26 -0.07 -0.00 0.00 0.00 177.39 176.57 1x37 h LEU 17 N 0.00 -0.04 -0.60 1.47 3.38 -1.80 -3.32 115.31 114.41 1x37 h LEU 17 Ca 0.82 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.72 1x37 h LEU 17 Cb 2.49 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 43.22 1x37 h LEU 17 CO -0.53 -0.01 0.12 1.55 0.09 0.00 0.00 178.44 179.67 1x37 h PRO 18 N -0.08 0.97 -0.52 1.13 0.13 -1.59 -1.37 132.00 130.66 1x37 h PRO 18 Ca -0.00 -0.25 0.06 0.00 -0.87 0.00 0.00 66.00 64.94 1x37 h PRO 18 Cb 0.04 -0.12 -0.09 0.00 0.13 0.00 0.00 31.00 30.96 1x37 h PRO 18 CO 0.01 0.90 -0.54 -0.22 -0.23 0.00 0.00 178.00 177.92 1x37 h LYS 19 N 0.88 -0.28 0.01 0.86 1.63 -0.84 0.15 116.57 118.98 1x37 h LYS 19 Ca 0.18 0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.98 1x37 h LYS 19 Cb 0.38 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.08 1x37 h LYS 19 CO 0.01 -0.19 -0.10 1.96 -3.45 0.00 0.00 179.45 177.68 1x37 h GLN 20 N -0.29 0.03 -1.06 1.90 4.20 -1.65 -3.31 115.11 114.92 1x37 h GLN 20 Ca 0.09 -0.05 0.30 0.00 0.06 0.00 0.00 58.65 59.05 1x37 h GLN 20 Cb 0.53 0.02 -0.12 0.00 0.30 0.00 0.00 27.48 28.20 1x37 h GLN 20 CO -0.65 1.02 0.65 0.82 -0.67 0.00 0.00 178.83 180.00 1x37 h ILE 21 N -0.94 0.42 0.00 2.54 1.08 -1.13 0.19 117.51 119.66 1x37 h ILE 21 Ca -0.02 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.32 1x37 h ILE 21 Cb 1.06 -0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.81 1x37 h ILE 21 CO 0.01 0.07 0.00 1.17 -0.69 0.00 0.00 178.15 178.71 1x37 n LYS 22 N -4.81 0.00 -0.36 2.37 4.81 0.51 0.50 118.16 121.18 1x37 n LYS 22 Ca 0.29 0.00 0.31 0.00 -0.87 0.00 0.00 58.31 58.04 1x37 n LYS 22 Cb 0.94 -0.75 0.58 0.00 0.02 0.00 0.00 35.03 35.82 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 0.11 0.21 1.64 4.39 -1.63 1.41 114.58 120.71 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 0.03 0.00 -0.10 0.00 0.00 28.75 28.65 1x37 h GLU 23 CO 0.00 0.07 -1.43 0.45 -1.16 0.00 0.00 179.01 176.95 1x37 h HIS 24 N 0.11 0.82 -1.26 4.33 3.86 -0.68 -3.28 115.15 119.06 1x37 h HIS 24 Ca 0.81 -0.60 0.46 0.00 -1.16 0.00 0.00 60.37 59.88 1x37 h HIS 24 Cb 2.19 -0.03 -0.15 0.00 1.06 0.00 0.00 27.41 30.48 1x37 h HIS 24 CO -0.01 1.48 0.77 0.41 0.86 0.00 0.00 177.93 181.45 1x37 n GLY 25 N 1.67 -0.81 0.29 2.45 0.00 1.86 -0.10 105.19 110.54 1x37 n GLY 25 Ca -0.15 0.77 0.28 0.00 0.00 0.00 0.00 46.02 46.93 1x37 n GLY 25 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1x37 n LEU 26 N -4.88 0.29 -4.95 0.99 0.00 -1.03 -4.21 117.00 103.21 1x37 n LEU 26 Ca 0.39 1.41 -0.19 0.00 0.00 0.00 0.00 56.01 57.62 1x37 n LEU 26 Cb 1.48 -0.69 -0.01 0.00 0.00 0.00 0.00 43.42 44.20 1x37 n LEU 26 CO 0.13 -1.58 0.04 -0.54 0.00 0.00 0.00 177.39 175.44 1x37 s LYS 27 N -5.28 2.88 0.54 1.96 1.02 0.85 -5.05 119.74 116.65 1x37 s LYS 27 Ca -0.08 -1.21 -0.18 0.00 0.02 0.00 0.00 55.97 54.52 1x37 s LYS 27 Cb 0.29 -2.66 -0.10 0.00 -0.52 0.00 0.00 37.83 34.83 1x37 s LYS 27 CO 0.67 -0.05 0.40 0.36 -0.92 0.00 0.00 175.35 175.82 1x37 n LYS 28 N -1.62 0.42 -1.50 1.68 2.85 -1.26 -4.42 118.16 114.30 1x37 n LYS 28 Ca 0.02 0.16 -0.30 0.00 -1.05 0.00 0.00 58.31 57.14 1x37 n LYS 28 Cb 0.59 -1.54 -0.18 0.00 -0.65 0.00 0.00 35.03 33.25 1x37 n LYS 28 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1x37 n SER 29 N 0.99 -0.50 -1.68 -5.58 7.64 -1.26 -4.69 113.62 108.54 1x37 n SER 29 Ca 0.11 -0.26 -0.17 0.00 1.01 0.00 0.00 58.87 59.56 1x37 n SER 29 Cb 0.46 -0.77 0.12 0.00 -1.01 0.00 0.00 64.21 63.02 1x37 n SER 29 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1x37 n ASN 30 N 8.40 4.24 -3.67 6.43 4.05 -1.26 -3.80 115.26 129.65 1x37 n ASN 30 Ca 0.66 -3.78 -0.09 0.00 0.45 0.00 0.00 54.58 51.81 1x37 n ASN 30 Cb 0.11 -0.62 -0.09 0.00 1.23 0.00 0.00 39.78 40.41 1x37 n ASN 30 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1x37 s LEU 31 N -3.47 -0.41 -0.48 1.20 1.98 -1.26 -3.94 118.68 112.30 1x37 s LEU 31 Ca 0.51 1.14 0.06 0.00 -2.89 0.00 0.00 54.13 52.95 1x37 s LEU 31 Cb 0.43 1.78 0.20 0.00 0.66 0.00 0.00 46.19 49.25 1x37 s LEU 31 CO 0.01 -0.21 0.64 0.00 -1.89 0.00 0.00 176.35 174.90 1x37 n GLN 32 N 4.16 0.50 -2.75 1.98 6.02 0.49 -4.74 117.38 123.04 1x37 n GLN 32 Ca -0.21 -2.36 -0.21 0.00 -0.01 0.00 0.00 57.00 54.20 1x37 n GLN 32 Cb 0.57 -1.50 0.07 0.00 1.02 0.00 0.00 30.24 30.40 1x37 n GLN 32 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 1x37 s LEU 33 N 0.25 3.13 0.00 1.08 0.05 -1.26 -1.67 118.68 120.26 1x37 s LEU 33 Ca 0.31 -0.42 0.02 0.00 0.05 0.00 0.00 54.13 54.10 1x37 s LEU 33 Cb 0.06 -2.14 -0.01 0.00 -2.05 0.00 0.00 46.19 42.05 1x37 s LEU 33 CO -0.12 -1.48 0.08 0.54 -0.55 0.00 0.00 176.35 174.81 1x37 n ARG 34 N -2.49 0.75 -0.07 1.48 1.74 -1.26 -4.88 116.66 111.91 1x37 n ARG 34 Ca 0.13 -3.08 -0.15 0.00 -0.77 0.00 0.00 57.85 53.97 1x37 n ARG 34 Cb 0.60 1.34 -0.05 0.00 -1.02 0.00 0.00 32.46 33.34 1x37 n ARG 34 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1x37 h ASP 35 N 1.28 0.98 -0.40 0.55 3.32 -2.00 -3.03 116.42 117.13 1x37 h ASP 35 Ca -0.31 -0.54 0.07 0.00 0.02 0.00 0.00 57.03 56.26 1x37 h ASP 35 Cb 1.08 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 40.29 1x37 h ASP 35 CO 0.50 1.35 0.05 1.56 -1.72 0.00 0.00 179.24 180.98 1x37 h GLN 36 N 0.66 0.17 0.61 3.56 4.20 -1.99 -0.53 115.11 121.79 1x37 h GLN 36 Ca 0.01 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 1x37 h GLN 36 Cb 1.19 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 1x37 h GLN 36 CO 0.13 0.11 -0.44 0.00 -0.67 0.00 0.00 178.83 177.96 1x37 h ALA 37 N 1.32 -1.19 -0.46 3.87 0.00 -1.88 -0.58 119.26 120.33 1x37 h ALA 37 Ca 0.19 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.98 1x37 h ALA 37 Cb 0.25 0.60 -0.10 0.00 0.00 0.00 0.00 17.79 18.54 1x37 h ALA 37 CO -0.28 -1.17 -0.41 0.82 0.00 0.00 0.00 179.25 178.20 1x37 h ILE 38 N -1.01 0.12 -0.99 0.00 1.08 -1.37 0.31 117.51 115.65 1x37 h ILE 38 Ca -0.08 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.59 1x37 h ILE 38 Cb 0.83 0.12 -0.10 0.00 -3.07 0.00 0.00 36.82 34.60 1x37 h ILE 38 CO 0.04 0.00 0.62 -0.07 -0.69 0.00 0.00 178.15 178.04 1x37 h LEU 39 N -0.28 0.70 0.82 1.44 3.38 -0.91 -1.86 115.31 118.59 1x37 h LEU 39 Ca 0.16 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 1x37 h LEU 39 Cb 0.57 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.30 1x37 h LEU 39 CO -0.61 0.24 -0.39 0.44 0.09 0.00 0.00 178.44 178.20 1x37 h ASP 40 N 0.67 -0.93 0.23 -0.43 5.19 0.12 0.11 116.42 121.37 1x37 h ASP 40 Ca 0.57 0.03 0.01 0.00 -0.62 0.00 0.00 57.03 57.01 1x37 h ASP 40 Cb 1.01 0.24 -0.04 0.00 0.18 0.00 0.00 39.33 40.72 1x37 h ASP 40 CO -0.35 -0.58 -0.47 -0.29 -3.12 0.00 0.00 179.24 174.43 1x37 h ILE 41 N -1.28 0.08 -0.98 0.35 2.10 -0.79 0.16 117.51 117.15 1x37 h ILE 41 Ca -0.11 0.00 0.07 0.00 1.08 0.00 0.00 64.86 65.90 1x37 h ILE 41 Cb 0.85 0.08 -0.07 0.00 -1.09 0.00 0.00 36.82 36.59 1x37 h ILE 41 CO 0.19 0.00 0.64 0.16 -1.08 0.00 0.00 178.15 178.05 1x37 h ILE 42 N -0.78 1.06 -0.79 2.19 -0.00 -1.43 1.03 117.51 118.80 1x37 h ILE 42 Ca -0.01 -0.38 -0.03 0.00 -0.00 0.00 0.00 64.86 64.44 1x37 h ILE 42 Cb 0.75 -0.16 -0.04 0.00 -0.00 0.00 0.00 36.82 37.38 1x37 h ILE 42 CO -0.20 0.20 0.38 -0.09 -0.00 0.00 0.00 178.15 178.44 1x37 h ARG 43 N 1.12 1.13 0.18 0.16 2.43 0.11 0.18 114.38 119.68 1x37 h ARG 43 Ca 0.43 -0.16 -0.31 0.00 -0.81 0.00 0.00 59.98 59.13 1x37 h ARG 43 Cb 0.23 -0.21 0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1x37 h ARG 43 CO -0.18 0.87 -1.44 1.88 -1.51 0.00 0.00 179.97 179.59 1x37 h TYR 44 N 1.11 0.70 -0.83 2.20 0.05 0.35 -3.29 116.97 117.27 1x37 h TYR 44 Ca 0.27 -0.51 -0.46 0.00 0.05 0.00 0.00 58.73 58.08 1x37 h TYR 44 Cb 0.11 -0.03 -0.25 0.00 1.01 0.00 0.00 36.73 37.57 1x37 h TYR 44 CO 0.01 1.45 0.58 0.66 -1.05 0.00 0.00 178.16 179.81 1x37 n TYR 45 N -3.60 2.57 0.33 4.88 4.02 0.35 -4.45 117.16 121.27 1x37 n TYR 45 Ca -0.15 -1.83 0.05 0.00 -0.01 0.00 0.00 57.90 55.96 1x37 n TYR 45 Cb 1.07 -0.92 0.26 0.00 -0.02 0.00 0.00 39.34 39.72 1x37 n TYR 45 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 176.86 177.64 1x37 h THR 46 N 0.86 0.00 -0.24 -0.72 1.35 -0.73 -3.35 112.91 110.08 1x37 h THR 46 Ca 0.52 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 66.34 1x37 h THR 46 Cb 2.21 0.21 -0.02 0.00 -1.73 0.00 0.00 68.15 68.82 1x37 h THR 46 CO 1.00 0.00 0.30 -2.11 -0.25 0.00 0.00 175.52 174.46 1x37 n ARG 47 N -2.61 0.39 -3.48 4.72 1.85 -1.26 -4.80 116.66 111.48 1x37 n ARG 47 Ca -0.01 -0.86 -0.13 0.00 -1.00 0.00 0.00 57.85 55.85 1x37 n ARG 47 Cb 0.80 -3.31 -0.03 0.00 -1.05 0.00 0.00 32.46 28.87 1x37 n ARG 47 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 1x37 s GLU 48 N 8.49 1.19 -0.38 2.89 -1.05 -1.26 -5.07 118.70 123.51 1x37 s GLU 48 Ca 0.93 -0.32 0.12 0.00 -0.15 0.00 0.00 54.97 55.55 1x37 s GLU 48 Cb -0.21 0.55 0.36 0.00 -0.44 0.00 0.00 34.13 34.39 1x37 s GLU 48 CO 0.16 -0.48 0.83 0.00 0.95 0.00 0.00 175.26 176.73 1x37 n ALA 49 N -0.01 1.69 0.00 -0.84 0.00 -1.26 -5.10 120.51 114.99 1x37 n ALA 49 Ca -0.17 -3.00 0.00 0.00 0.00 0.00 0.00 53.44 50.26 1x37 n ALA 49 Cb 0.63 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 0.23 4.16 0.17 0.00 0.00 -1.26 -4.98 105.19 103.51 1x37 n GLY 50 Ca 0.19 -1.10 -0.23 0.00 0.00 0.00 0.00 46.02 44.89 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 3.35 1.29 -0.53 1.61 -1.51 -1.99 -3.11 116.25 115.36 1x37 h VAL 51 Ca 0.00 -2.52 0.05 0.00 -1.23 0.00 0.00 66.70 63.00 1x37 h VAL 51 Cb 0.00 2.77 -0.08 0.00 -2.13 0.00 0.00 31.29 31.85 1x37 h VAL 51 CO 0.00 0.77 -0.48 -0.09 -1.23 0.00 0.00 177.57 176.54 1x37 h ARG 52 N 0.25 -0.20 -0.90 5.19 9.65 -2.00 0.28 114.38 126.65 1x37 h ARG 52 Ca -0.20 0.01 0.04 0.00 -1.10 0.00 0.00 59.98 58.73 1x37 h ARG 52 Cb 1.97 0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 30.54 1x37 h ARG 52 CO 0.25 -0.13 0.58 0.77 2.80 0.00 0.00 179.97 184.24 1x37 h SER 53 N -0.21 0.97 0.11 -3.80 0.02 -1.94 -1.79 113.55 106.91 1x37 h SER 53 Ca 0.09 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.05 1x37 h SER 53 Cb 0.44 -0.22 -0.05 0.00 0.14 0.00 0.00 62.40 62.71 1x37 h SER 53 CO -0.61 0.66 -0.45 0.25 -1.14 0.00 0.00 176.83 175.54 1x37 h LEU 54 N 1.13 -1.35 -1.11 5.07 5.85 -0.55 0.19 115.31 124.55 1x37 h LEU 54 Ca 0.36 0.15 0.20 0.00 0.84 0.00 0.00 57.88 59.43 1x37 h LEU 54 Cb 0.01 0.51 -0.10 0.00 0.37 0.00 0.00 40.66 41.45 1x37 h LEU 54 CO -0.12 -0.51 0.62 -0.33 -0.34 0.00 0.00 178.44 177.75 1x37 h GLU 55 N -0.68 0.66 -0.83 1.25 5.08 -0.18 0.25 114.58 120.13 1x37 h GLU 55 Ca 0.02 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1x37 h GLU 55 Cb 0.70 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 1x37 h GLU 55 CO -0.27 0.44 0.43 -0.09 -1.00 0.00 0.00 179.01 178.51 1x37 h ARG 56 N 0.68 1.17 -0.14 2.33 2.43 0.12 0.16 114.38 121.13 1x37 h ARG 56 Ca 0.57 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.58 1x37 h ARG 56 Cb 1.00 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 1x37 h ARG 56 CO -0.35 0.88 0.07 0.37 -1.51 0.00 0.00 179.97 179.44 1x37 h GLN 57 N 1.16 0.21 -0.22 0.20 5.75 0.18 0.17 115.11 122.56 1x37 h GLN 57 Ca 0.29 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.74 1x37 h GLN 57 Cb 0.07 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 1x37 h GLN 57 CO -0.04 0.25 0.06 -0.07 -2.65 0.00 0.00 178.83 176.38 1x37 h LEU 58 N 0.11 0.33 -1.20 -2.39 3.38 -1.09 -1.94 115.31 112.52 1x37 h LEU 58 Ca 0.05 -0.21 0.09 0.00 0.09 0.00 0.00 57.88 57.89 1x37 h LEU 58 Cb 0.11 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 1x37 h LEU 58 CO -0.01 0.45 0.57 0.00 0.09 0.00 0.00 178.44 179.55 1x37 h ALA 59 N 0.89 1.61 0.83 1.53 0.00 -0.52 -0.89 119.26 122.70 1x37 h ALA 59 Ca 0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1x37 h ALA 59 Cb 0.25 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1x37 h ALA 59 CO -0.00 0.22 -0.40 0.00 0.00 0.00 0.00 179.25 179.07 1x37 h ALA 60 N 1.55 -1.11 -0.64 0.00 0.00 -0.01 -1.57 119.26 117.47 1x37 h ALA 60 Ca 0.40 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1x37 h ALA 60 Cb 0.35 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 1x37 h ALA 60 CO -0.16 -1.11 0.37 0.97 0.00 0.00 0.00 179.25 179.32 1x37 h ILE 61 N -1.15 1.02 0.00 0.00 2.10 -1.01 0.21 117.51 118.68 1x37 h ILE 61 Ca -0.11 -0.25 0.00 0.00 1.08 0.00 0.00 64.86 65.58 1x37 h ILE 61 Cb 0.86 0.24 0.00 0.00 -1.09 0.00 0.00 36.82 36.83 1x37 h ILE 61 CO 0.19 0.13 0.00 0.00 -1.08 0.00 0.00 178.15 177.39 1x37 h ARG 63 N 0.00 0.43 -1.05 0.00 0.11 -1.27 0.27 114.38 112.87 1x37 h ARG 63 Ca 0.00 -0.03 0.36 0.00 0.10 0.00 0.00 59.98 60.42 1x37 h ARG 63 Cb 0.00 -0.10 -0.15 0.00 1.11 0.00 0.00 29.97 30.83 1x37 h ARG 63 CO 0.00 0.28 0.61 -0.22 0.10 0.00 0.00 179.97 180.74 1x37 h LYS 64 N 0.44 0.20 -0.18 0.08 1.63 -0.43 2.71 116.57 121.02 1x37 h LYS 64 Ca 0.30 -0.01 -0.20 0.00 -0.85 0.00 0.00 60.65 59.89 1x37 h LYS 64 Cb 0.33 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1x37 h LYS 64 CO -0.27 0.13 -0.68 0.00 -3.45 0.00 0.00 179.45 175.18 1x37 h ALA 65 N 1.85 0.46 -0.97 5.00 0.00 0.58 -1.63 119.26 124.56 1x37 h ALA 65 Ca 0.78 -0.57 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1x37 h ALA 65 Cb 1.96 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.66 1x37 h ALA 65 CO -0.62 0.70 0.64 0.00 0.00 0.00 0.00 179.25 179.97 1x37 h ALA 66 N 0.73 1.23 -0.13 0.00 0.00 0.57 -2.48 119.26 119.17 1x37 h ALA 66 Ca -0.02 -0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.59 1x37 h ALA 66 Cb 1.28 -0.39 0.01 0.00 0.00 0.00 0.00 17.79 18.68 1x37 h ALA 66 CO 0.14 0.62 -0.80 0.87 0.00 0.00 0.00 179.25 180.08 1x37 h LYS 67 N 1.31 0.74 0.00 0.00 1.57 -0.58 -2.87 116.57 116.74 1x37 h LYS 67 Ca 0.35 -0.62 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1x37 h LYS 67 Cb -0.15 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1x37 h LYS 67 CO -0.08 1.23 0.00 0.00 -0.57 0.00 0.00 179.45 180.03 1x37 n ALA 68 N -2.60 1.53 0.44 3.86 0.00 -0.62 -3.46 120.51 119.66 1x37 n ALA 68 Ca -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1x37 n ALA 68 Cb 0.76 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.20 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 -0.78 0.48 0.00 0.00 0.13 -1.09 -4.19 119.36 113.91 1x37 n ILE 69 Ca 0.00 -0.01 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 1x37 n ILE 69 Cb 0.00 -0.75 0.00 0.00 -0.84 0.00 0.00 39.64 38.05 1x37 n ILE 69 CO 0.00 0.00 0.00 0.52 2.80 0.00 0.00 176.55 179.87 1x37 n VAL 70 N 0.80 1.02 0.00 9.51 0.31 -1.22 -4.38 118.33 124.38 1x37 n VAL 70 Ca 0.00 0.49 0.00 0.00 -0.01 0.00 0.00 64.34 64.82 1x37 n VAL 70 Cb 0.23 -1.49 0.00 0.00 -0.91 0.00 0.00 33.84 31.68 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 -1.25 0.00 0.08 3.52 0.00 -1.26 -5.04 120.51 116.57 1x37 n ALA 71 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1x37 n ALA 71 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 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 -3.70 0.00 2.13 -1.26 -5.09 120.64 112.72 1x37 n GLU 72 Ca 0.00 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.70 1x37 n GLU 72 Cb 0.00 -0.23 -0.12 0.00 0.27 0.00 0.00 31.44 31.36 1x37 n GLU 72 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1x37 s GLU 73 N -2.00 0.23 0.14 5.31 2.02 -1.26 -5.15 118.70 117.99 1x37 s GLU 73 Ca 0.00 0.68 -0.24 0.00 0.02 0.00 0.00 54.97 55.44 1x37 s GLU 73 Cb 0.00 -0.04 0.07 0.00 0.10 0.00 0.00 34.13 34.26 1x37 s GLU 73 CO 0.00 -0.20 0.60 0.50 0.02 0.00 0.00 175.26 176.18 1x37 s ARG 74 N 1.73 1.26 0.04 1.61 3.52 -1.26 -5.17 118.95 120.69 1x37 s ARG 74 Ca -0.06 -0.42 -0.01 0.00 -0.13 0.00 0.00 55.73 55.12 1x37 s ARG 74 Cb -0.11 0.58 0.01 0.00 -1.56 0.00 0.00 34.95 33.88 1x37 s ARG 74 CO -0.10 -0.54 0.04 1.63 -0.81 0.00 0.00 175.30 175.52 1x37 n LYS 75 N -0.28 -1.35 -1.26 5.12 5.02 -1.26 -4.92 118.16 119.24 1x37 n LYS 75 Ca -0.17 -0.06 -0.35 0.00 -2.02 0.00 0.00 58.31 55.71 1x37 n LYS 75 Cb 0.64 -0.06 0.09 0.00 -0.02 0.00 0.00 35.03 35.68 1x37 n LYS 75 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1x37 n ARG 76 N -1.75 0.35 -2.82 1.97 3.00 -1.25 -4.89 116.66 111.27 1x37 n ARG 76 Ca 0.01 0.17 -0.42 0.00 -0.01 0.00 0.00 57.85 57.59 1x37 n ARG 76 Cb 0.02 -2.07 -0.04 0.00 0.00 0.00 0.00 32.46 30.37 1x37 n ARG 76 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1x37 s ILE 77 N -1.92 4.66 -0.06 0.55 1.01 -1.25 -4.86 121.20 119.33 1x37 s ILE 77 Ca 0.69 1.38 -0.21 0.00 0.00 0.00 0.00 60.65 62.51 1x37 s ILE 77 Cb -0.33 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 37.82 1x37 s ILE 77 CO 0.54 -0.38 0.61 -0.89 0.00 0.00 0.00 174.94 174.83 1x37 s THR 78 N 3.28 5.04 0.24 2.92 2.01 -1.26 -0.38 115.64 127.49 1x37 s THR 78 Ca 0.38 1.26 0.06 0.00 0.31 0.00 0.00 61.69 63.70 1x37 s THR 78 Cb -0.13 -3.95 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 1x37 s THR 78 CO 0.14 0.32 0.29 -0.69 -0.69 0.00 0.00 174.62 173.99 1x37 s VAL 79 N 0.44 4.90 0.14 3.82 1.01 -0.67 -4.95 120.40 125.09 1x37 s VAL 79 Ca 0.33 -1.17 -0.23 0.00 0.00 0.00 0.00 61.98 60.90 1x37 s VAL 79 Cb -0.17 -3.66 0.07 0.00 0.00 0.00 0.00 36.38 32.62 1x37 s VAL 79 CO 0.16 -0.34 0.59 -0.89 0.00 0.00 0.00 175.10 174.62 1x37 s THR 80 N -2.05 0.01 0.60 3.92 2.01 -1.26 -4.38 115.64 114.49 1x37 s THR 80 Ca 0.33 -0.06 0.28 0.00 0.31 0.00 0.00 61.69 62.56 1x37 s THR 80 Cb -0.08 -1.01 0.38 0.00 0.01 0.00 0.00 72.50 71.79 1x37 s THR 80 CO 0.27 -0.03 1.70 1.05 -0.69 0.00 0.00 174.62 176.92 1x37 h GLU 81 N 2.12 0.00 0.00 4.92 -0.00 -1.90 -0.01 114.58 119.71 1x37 h GLU 81 Ca -0.33 0.00 -0.10 0.00 -0.00 0.00 0.00 59.36 58.93 1x37 h GLU 81 Cb 1.29 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.03 1x37 h GLU 81 CO 0.39 0.00 -0.70 -0.22 -0.00 0.00 0.00 179.01 178.48 1x37 h LYS 82 N 0.00 0.00 -1.02 1.06 3.64 -1.99 -3.36 116.57 114.90 1x37 h LYS 82 Ca 0.29 0.00 0.28 0.00 -1.27 0.00 0.00 60.65 59.95 1x37 h LYS 82 Cb 1.72 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 33.41 1x37 h LYS 82 CO -0.00 0.55 0.61 -0.97 -2.27 0.00 0.00 179.45 177.37 1x37 h ASN 83 N -1.00 0.58 -0.98 4.20 -0.00 -1.55 0.19 115.58 117.02 1x37 h ASN 83 Ca -0.15 0.14 0.33 0.00 -0.00 0.00 0.00 56.30 56.62 1x37 h ASN 83 Cb 0.85 0.06 -0.18 0.00 -0.00 0.00 0.00 38.32 39.05 1x37 h ASN 83 CO -0.09 0.03 0.28 0.25 -0.00 0.00 0.00 177.43 177.90 1x37 h LEU 84 N 0.47 -0.06 0.39 0.34 6.46 -1.20 0.49 115.31 122.20 1x37 h LEU 84 Ca 0.67 0.26 -0.02 0.00 -0.12 0.00 0.00 57.88 58.67 1x37 h LEU 84 Cb 1.44 0.36 0.00 0.00 -0.73 0.00 0.00 40.66 41.73 1x37 h LEU 84 CO -0.48 -0.35 -0.19 -0.61 -0.62 0.00 0.00 178.44 176.19 1x37 h GLN 85 N 0.05 -0.51 -1.02 1.25 4.15 -0.82 0.20 115.11 118.41 1x37 h GLN 85 Ca 0.70 0.03 0.29 0.00 0.77 0.00 0.00 58.65 60.45 1x37 h GLN 85 Cb 1.64 0.11 -0.13 0.00 0.21 0.00 0.00 27.48 29.31 1x37 h GLN 85 CO -0.82 -0.31 0.60 0.22 -1.93 0.00 0.00 178.83 176.60 1x37 h ASP 86 N -0.57 0.56 0.00 -0.69 1.82 -0.12 1.45 116.42 118.87 1x37 h ASP 86 Ca -0.05 0.16 0.00 0.00 -0.39 0.00 0.00 57.03 56.75 1x37 h ASP 86 Cb 0.43 0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.52 1x37 h ASP 86 CO 0.09 -0.03 0.00 0.49 -1.61 0.00 0.00 179.24 178.18 1x37 n PHE 87 N -4.94 0.00 0.38 0.28 3.72 -0.76 -4.55 117.46 111.60 1x37 n PHE 87 Ca 0.30 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.53 1x37 n PHE 87 Cb 0.90 -0.38 -0.08 0.00 -0.94 0.00 0.00 39.48 38.98 1x37 n PHE 87 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1x37 h ILE 88 N 0.00 0.13 0.00 4.37 2.04 -0.50 -3.49 117.51 120.07 1x37 h ILE 88 Ca 0.00 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1x37 h ILE 88 Cb 0.00 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.25 1x37 h ILE 88 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 178.15 178.77 1x37 n GLY 89 N -0.99 1.08 3.83 5.37 0.00 0.50 -4.99 105.19 109.98 1x37 n GLY 89 Ca -0.13 -1.03 -0.36 0.00 0.00 0.00 0.00 46.02 44.50 1x37 n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x37 s LYS 90 N 0.00 4.15 0.41 1.61 3.01 -1.26 -4.63 119.74 123.03 1x37 s LYS 90 Ca 0.00 0.72 0.00 0.00 -1.01 0.00 0.00 55.97 55.68 1x37 s LYS 90 Cb 0.00 -2.93 0.08 0.00 -1.01 0.00 0.00 37.83 33.97 1x37 s LYS 90 CO 0.00 0.45 0.57 0.54 0.51 0.00 0.00 175.35 177.41 1x37 n ARG 91 N 0.83 0.23 -0.13 1.68 3.00 -1.26 -5.06 116.66 115.96 1x37 n ARG 91 Ca -0.04 -1.58 -0.24 0.00 -0.01 0.00 0.00 57.85 55.99 1x37 n ARG 91 Cb 0.51 -0.37 -0.10 0.00 0.00 0.00 0.00 32.46 32.51 1x37 n ARG 91 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1x37 n ILE 92 N -2.20 1.40 -2.43 0.55 5.41 -1.26 -4.66 119.36 116.16 1x37 n ILE 92 Ca 0.09 -0.42 -0.43 0.00 1.00 0.00 0.00 62.75 63.00 1x37 n ILE 92 Cb 0.34 -1.67 0.00 0.00 -0.71 0.00 0.00 39.64 37.60 1x37 n ILE 92 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1x37 n PHE 93 N -3.81 3.81 -2.45 1.39 3.01 -1.26 -4.92 117.46 113.23 1x37 n PHE 93 Ca -0.48 -2.99 -0.38 0.00 1.01 0.00 0.00 57.45 54.62 1x37 n PHE 93 Cb 0.89 -2.20 -0.03 0.00 -0.01 0.00 0.00 39.48 38.13 1x37 n PHE 93 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1x37 s ARG 94 N 1.63 3.38 0.00 -1.08 3.52 -1.26 -5.07 118.95 120.06 1x37 s ARG 94 Ca 0.43 -1.00 0.26 0.00 -0.13 0.00 0.00 55.73 55.30 1x37 s ARG 94 Cb 0.06 -5.31 0.67 0.00 -1.56 0.00 0.00 34.95 28.81 1x37 s ARG 94 CO -0.00 -2.49 1.53 0.98 -0.81 0.00 0.00 175.30 174.51