#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 -1.83 3.76 0.00 0.00 -1.26 -5.15 105.19 100.72 1x37 n GLY 2 Ca 0.00 0.79 -0.40 0.00 0.00 0.00 0.00 46.02 46.41 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 3.88 0.51 1.61 -0.85 -1.26 -5.06 117.35 116.18 1x37 s TYR 3 Ca 0.00 1.68 0.07 0.00 -0.52 0.00 0.00 57.07 58.30 1x37 s TYR 3 Cb 0.00 -2.85 0.03 0.00 0.38 0.00 0.00 41.96 39.51 1x37 s TYR 3 CO 0.00 0.42 0.46 0.95 -1.52 0.00 0.00 175.55 175.87 1x37 s THR 4 N -0.82 2.05 0.29 -3.49 -4.23 -1.26 -4.90 115.64 103.28 1x37 s THR 4 Ca 0.39 -1.36 0.03 0.00 -1.18 0.00 0.00 61.69 59.57 1x37 s THR 4 Cb -0.23 -2.41 0.28 0.00 1.34 0.00 0.00 72.50 71.48 1x37 s THR 4 CO 0.27 0.00 1.71 1.05 -0.54 0.00 0.00 174.62 177.11 1x37 h GLU 5 N 0.74 0.43 0.25 3.99 9.09 -1.99 -0.01 114.58 127.08 1x37 h GLU 5 Ca -0.37 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.02 1x37 h GLU 5 Cb 1.29 -0.10 -0.02 0.00 -1.65 0.00 0.00 28.75 28.27 1x37 h GLU 5 CO 0.54 0.28 -0.28 0.82 0.05 0.00 0.00 179.01 180.43 1x37 h ILE 6 N 0.44 0.41 -0.25 -1.06 2.04 -2.00 -1.66 117.51 115.43 1x37 h ILE 6 Ca 0.55 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.47 1x37 h ILE 6 Cb 1.01 0.41 -0.07 0.00 -0.74 0.00 0.00 36.82 37.43 1x37 h ILE 6 CO -0.50 0.00 -0.22 -0.33 0.00 0.00 0.00 178.15 177.10 1x37 h GLU 7 N -0.57 -0.21 -0.88 2.37 4.39 -1.41 0.32 114.58 118.58 1x37 h GLU 7 Ca -0.00 0.01 0.22 0.00 0.34 0.00 0.00 59.36 59.93 1x37 h GLU 7 Cb 0.54 0.05 -0.13 0.00 -0.10 0.00 0.00 28.75 29.11 1x37 h GLU 7 CO -0.07 -0.14 0.33 0.87 -1.16 0.00 0.00 179.01 178.83 1x37 h LYS 8 N -0.22 0.31 -0.39 2.33 1.57 -0.81 0.26 116.57 119.62 1x37 h LYS 8 Ca 0.14 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.85 1x37 h LYS 8 Cb 0.43 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1x37 h LYS 8 CO -0.38 0.20 0.05 1.25 -0.57 0.00 0.00 179.45 180.01 1x37 h LEU 9 N 0.32 0.63 0.26 2.94 5.85 -0.05 0.22 115.31 125.47 1x37 h LEU 9 Ca 0.55 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 1x37 h LEU 9 Cb 1.07 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 1x37 h LEU 9 CO -0.57 0.74 -0.19 -0.08 -0.34 0.00 0.00 178.44 177.99 1x37 h GLU 10 N 0.49 -0.44 0.28 1.25 4.81 0.65 -1.48 114.58 120.14 1x37 h GLU 10 Ca 0.12 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1x37 h GLU 10 Cb 0.39 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1x37 h GLU 10 CO 0.01 -0.29 -0.13 -0.84 -0.73 0.00 0.00 179.01 177.03 1x37 h ILE 11 N -0.45 0.00 -1.08 2.32 3.07 -1.04 -1.18 117.51 119.15 1x37 h ILE 11 Ca -0.02 -0.33 0.42 0.00 1.55 0.00 0.00 64.86 66.48 1x37 h ILE 11 Cb 0.40 0.00 -0.16 0.00 -0.27 0.00 0.00 36.82 36.79 1x37 h ILE 11 CO -0.01 0.00 0.63 0.52 -1.05 0.00 0.00 178.15 178.25 1x37 n VAL 12 N -3.93 -0.34 0.12 0.16 0.31 0.76 0.15 118.33 115.56 1x37 n VAL 12 Ca -0.05 1.85 -0.24 0.00 -0.01 0.00 0.00 64.34 65.90 1x37 n VAL 12 Cb 0.15 -3.02 -0.15 0.00 -0.91 0.00 0.00 33.84 29.91 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 0.48 0.23 5.55 3.64 -1.28 -3.25 116.57 121.95 1x37 h LYS 13 Ca 0.82 -0.82 -0.34 0.00 -1.27 0.00 0.00 60.65 59.05 1x37 h LYS 13 Cb 2.34 0.30 0.03 0.00 -0.41 0.00 0.00 32.23 34.49 1x37 h LYS 13 CO -0.63 1.39 -1.51 0.22 -2.27 0.00 0.00 179.45 176.65 1x37 h ASP 14 N 0.13 0.78 -0.03 4.20 1.82 0.10 -3.37 116.42 120.04 1x37 h ASP 14 Ca -0.29 -0.87 -0.21 0.00 -0.39 0.00 0.00 57.03 55.27 1x37 h ASP 14 Cb 2.14 -0.25 0.01 0.00 0.68 0.00 0.00 39.33 41.90 1x37 h ASP 14 CO 0.24 1.69 -0.76 1.12 -1.61 0.00 0.00 179.24 179.91 1x37 h HIS 15 N 0.14 0.93 -1.06 0.28 2.07 -0.59 -3.32 115.15 113.59 1x37 h HIS 15 Ca -0.26 -0.41 0.41 0.00 -2.85 0.00 0.00 60.37 57.26 1x37 h HIS 15 Cb 2.15 -0.14 -0.15 0.00 2.57 0.00 0.00 27.41 31.83 1x37 h HIS 15 CO 0.12 1.22 0.63 1.47 -3.07 0.00 0.00 177.93 178.30 1x37 n LEU 16 N -3.91 0.27 -0.00 6.12 -0.00 -1.23 -0.72 117.00 117.53 1x37 n LEU 16 Ca -0.07 1.41 -0.00 0.00 -0.00 0.00 0.00 56.01 57.36 1x37 n LEU 16 Cb 0.74 -0.69 -0.00 0.00 -0.00 0.00 0.00 43.42 43.47 1x37 n LEU 16 CO 0.52 -1.56 -0.00 -0.07 -0.00 0.00 0.00 177.39 176.27 1x37 h LEU 17 N 0.00 0.00 0.10 1.47 3.38 -1.81 -3.34 115.31 115.11 1x37 h LEU 17 Ca 0.79 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.77 1x37 h LEU 17 Cb 2.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 43.03 1x37 h LEU 17 CO -0.59 0.00 -0.12 1.55 0.09 0.00 0.00 178.44 179.38 1x37 h PRO 18 N -0.01 -0.25 0.00 1.13 0.13 -1.66 -1.00 132.00 130.34 1x37 h PRO 18 Ca 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1x37 h PRO 18 Cb 0.00 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.19 1x37 h PRO 18 CO 0.00 -0.16 0.00 1.17 -0.23 0.00 0.00 178.00 178.78 1x37 n LYS 19 N -5.24 0.00 -0.10 0.86 3.00 0.10 -0.61 118.16 116.16 1x37 n LYS 19 Ca -0.07 0.46 -0.07 0.00 -0.00 0.00 0.00 58.31 58.62 1x37 n LYS 19 Cb 0.16 -1.13 -0.01 0.00 0.00 0.00 0.00 35.03 34.06 1x37 n LYS 19 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1x37 h GLN 20 N 0.00 -0.21 -1.08 1.64 1.08 -1.69 -0.02 115.11 114.83 1x37 h GLN 20 Ca 0.00 0.01 0.32 0.00 -1.45 0.00 0.00 58.65 57.54 1x37 h GLN 20 Cb 0.00 0.05 -0.13 0.00 -0.05 0.00 0.00 27.48 27.35 1x37 h GLN 20 CO 0.00 -0.14 0.66 0.82 -0.95 0.00 0.00 178.83 179.22 1x37 h ILE 21 N -0.22 0.35 0.00 2.54 1.08 -0.94 0.24 117.51 120.55 1x37 h ILE 21 Ca 0.17 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 64.53 1x37 h ILE 21 Cb 0.50 -0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.25 1x37 h ILE 21 CO -0.49 0.06 0.00 1.17 -0.69 0.00 0.00 178.15 178.20 1x37 n LYS 22 N -4.84 0.00 -0.36 2.37 3.00 0.22 0.51 118.16 119.05 1x37 n LYS 22 Ca 0.31 0.00 0.30 0.00 -0.00 0.00 0.00 58.31 58.92 1x37 n LYS 22 Cb 1.03 -0.76 0.56 0.00 0.00 0.00 0.00 35.03 35.86 1x37 n LYS 22 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1x37 h GLU 23 N 0.00 0.16 0.21 1.64 4.57 -1.48 0.99 114.58 120.68 1x37 h GLU 23 Ca 0.00 -0.01 -0.32 0.00 -1.18 0.00 0.00 59.36 57.85 1x37 h GLU 23 Cb 0.00 -0.04 0.03 0.00 -0.16 0.00 0.00 28.75 28.58 1x37 h GLU 23 CO 0.00 0.11 -1.45 0.45 -1.18 0.00 0.00 179.01 176.93 1x37 h HIS 24 N 0.17 0.81 -1.22 0.92 3.86 -0.58 -3.29 115.15 115.82 1x37 h HIS 24 Ca 0.79 -0.59 0.45 0.00 -1.16 0.00 0.00 60.37 59.86 1x37 h HIS 24 Cb 2.09 -0.03 -0.16 0.00 1.06 0.00 0.00 27.41 30.37 1x37 h HIS 24 CO -0.01 1.50 0.74 0.78 0.86 0.00 0.00 177.93 181.80 1x37 h GLY 25 N 0.65 1.76 -0.92 2.45 0.00 2.03 0.28 103.07 109.32 1x37 h GLY 25 Ca -0.23 -0.12 0.38 0.00 0.00 0.00 0.00 47.33 47.35 1x37 h GLY 25 CO 0.24 -0.62 0.52 1.04 0.00 0.00 0.00 176.54 177.72 1x37 n LEU 26 N -4.95 0.29 -4.94 3.11 4.32 -1.06 -4.16 117.00 109.61 1x37 n LEU 26 Ca 0.39 1.42 -0.24 0.00 -0.02 0.00 0.00 56.01 57.57 1x37 n LEU 26 Cb 1.45 -0.70 -0.02 0.00 -1.62 0.00 0.00 43.42 42.53 1x37 n LEU 26 CO 0.11 -1.59 0.10 -0.54 -1.22 0.00 0.00 177.39 174.26 1x37 s LYS 27 N -5.29 3.49 0.70 3.23 -0.14 0.99 -5.03 119.74 117.68 1x37 s LYS 27 Ca -0.08 -0.42 -0.17 0.00 -1.36 0.00 0.00 55.97 53.94 1x37 s LYS 27 Cb 0.29 -2.74 -0.11 0.00 -1.68 0.00 0.00 37.83 33.59 1x37 s LYS 27 CO 0.69 0.26 -0.04 0.36 -0.76 0.00 0.00 175.35 175.85 1x37 n LYS 28 N -1.49 0.11 -1.50 1.68 2.85 -1.26 -4.35 118.16 114.20 1x37 n LYS 28 Ca -0.06 0.05 -0.32 0.00 -1.05 0.00 0.00 58.31 56.94 1x37 n LYS 28 Cb 0.56 -1.31 -0.18 0.00 -0.65 0.00 0.00 35.03 33.45 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 1.69 -0.38 -2.67 -5.58 2.88 -1.26 -4.73 113.62 103.57 1x37 n SER 29 Ca 0.06 -0.19 -0.24 0.00 -1.33 0.00 0.00 58.87 57.17 1x37 n SER 29 Cb 0.50 -0.79 -0.01 0.00 -0.75 0.00 0.00 64.21 63.17 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 8.70 3.94 -3.51 -3.46 4.05 -1.26 -2.34 115.26 121.38 1x37 n ASN 30 Ca 0.66 -3.52 0.00 0.00 0.45 0.00 0.00 54.58 52.17 1x37 n ASN 30 Cb 0.10 -0.51 -0.03 0.00 1.23 0.00 0.00 39.78 40.57 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 -3.39 -1.12 -0.39 1.20 0.20 -1.26 -4.29 118.68 109.63 1x37 s LEU 31 Ca 0.45 1.31 0.03 0.00 0.69 0.00 0.00 54.13 56.61 1x37 s LEU 31 Cb 0.37 2.18 0.16 0.00 -0.43 0.00 0.00 46.19 48.48 1x37 s LEU 31 CO -0.14 -0.21 0.33 -1.10 -0.29 0.00 0.00 176.35 174.94 1x37 s GLN 32 N 2.84 0.77 0.46 1.98 1.11 0.47 -4.79 119.66 122.50 1x37 s GLN 32 Ca 0.00 -1.65 0.08 0.00 0.01 0.00 0.00 55.36 53.79 1x37 s GLN 32 Cb -0.12 -1.20 0.01 0.00 -1.01 0.00 0.00 33.01 30.69 1x37 s GLN 32 CO -0.19 -1.31 0.46 -0.48 0.01 0.00 0.00 175.29 173.78 1x37 s LEU 33 N 0.58 3.26 0.09 2.90 0.05 -1.26 -0.66 118.68 123.64 1x37 s LEU 33 Ca 0.26 -0.81 0.06 0.00 0.05 0.00 0.00 54.13 53.69 1x37 s LEU 33 Cb -0.07 -1.92 -0.03 0.00 -2.05 0.00 0.00 46.19 42.12 1x37 s LEU 33 CO -0.10 -0.84 -0.15 -0.13 -0.55 0.00 0.00 176.35 174.58 1x37 s ARG 34 N -4.26 0.90 0.29 1.48 0.52 -1.26 -4.91 118.95 111.71 1x37 s ARG 34 Ca 0.48 -1.04 0.03 0.00 -0.52 0.00 0.00 55.73 54.68 1x37 s ARG 34 Cb -0.04 -0.90 0.71 0.00 0.52 0.00 0.00 34.95 35.23 1x37 s ARG 34 CO 0.29 0.20 1.68 0.22 0.02 0.00 0.00 175.30 177.70 1x37 h ASP 35 N 4.09 0.19 -0.62 0.23 1.82 -2.00 0.28 116.42 120.42 1x37 h ASP 35 Ca -0.41 0.17 0.10 0.00 -0.39 0.00 0.00 57.03 56.50 1x37 h ASP 35 Cb 1.19 0.18 -0.08 0.00 0.68 0.00 0.00 39.33 41.31 1x37 h ASP 35 CO 0.42 -0.06 0.22 -0.61 -1.61 0.00 0.00 179.24 177.60 1x37 h GLN 36 N 0.32 0.38 0.84 0.28 4.15 -1.98 -1.38 115.11 117.72 1x37 h GLN 36 Ca 0.55 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.91 1x37 h GLN 36 Cb 1.06 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.66 1x37 h GLN 36 CO -0.57 0.25 -0.48 0.00 -1.93 0.00 0.00 178.83 176.10 1x37 h ALA 37 N 1.44 -1.26 -0.84 3.38 0.00 -0.70 -1.56 119.26 119.72 1x37 h ALA 37 Ca 0.32 -0.26 0.21 0.00 0.00 0.00 0.00 54.91 55.18 1x37 h ALA 37 Cb 0.41 0.57 -0.14 0.00 0.00 0.00 0.00 17.79 18.63 1x37 h ALA 37 CO -0.33 -1.22 0.10 0.82 0.00 0.00 0.00 179.25 178.63 1x37 h ILE 38 N -1.22 0.29 -0.67 0.00 1.08 -1.07 0.43 117.51 116.34 1x37 h ILE 38 Ca -0.11 -0.05 0.03 0.00 -0.39 0.00 0.00 64.86 64.34 1x37 h ILE 38 Cb 0.97 0.14 -0.04 0.00 -3.07 0.00 0.00 36.82 34.82 1x37 h ILE 38 CO 0.14 0.03 0.42 -0.07 -0.69 0.00 0.00 178.15 177.97 1x37 h LEU 39 N 0.14 0.68 -0.61 1.44 3.38 -0.86 -2.01 115.31 117.47 1x37 h LEU 39 Ca 0.49 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.51 1x37 h LEU 39 Cb 0.94 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.50 1x37 h LEU 39 CO -0.69 0.47 0.35 -0.78 0.09 0.00 0.00 178.44 177.88 1x37 h ASP 40 N 0.81 0.54 0.00 -0.43 3.58 0.83 0.16 116.42 121.91 1x37 h ASP 40 Ca 0.27 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.74 1x37 h ASP 40 Cb 0.03 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 40.99 1x37 h ASP 40 CO -0.11 0.37 0.00 -0.38 -2.88 0.00 0.00 179.24 176.24 1x37 n ILE 41 N -4.78 0.00 -0.34 2.25 5.41 -0.71 -0.38 119.36 120.81 1x37 n ILE 41 Ca 0.06 1.19 0.24 0.00 1.00 0.00 0.00 62.75 65.24 1x37 n ILE 41 Cb 0.13 -2.15 0.47 0.00 -0.71 0.00 0.00 39.64 37.38 1x37 n ILE 41 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 176.55 176.26 1x37 h ILE 42 N 0.00 0.33 -0.89 1.39 -0.00 -1.50 0.70 117.51 117.54 1x37 h ILE 42 Ca 0.00 -0.12 -0.02 0.00 -0.00 0.00 0.00 64.86 64.72 1x37 h ILE 42 Cb 0.00 -0.05 -0.04 0.00 -0.00 0.00 0.00 36.82 36.73 1x37 h ILE 42 CO 0.00 0.06 0.48 -0.09 -0.00 0.00 0.00 178.15 178.61 1x37 h ARG 43 N 0.35 1.25 -0.57 2.19 2.43 -0.51 1.94 114.38 121.45 1x37 h ARG 43 Ca 0.72 -0.15 -0.10 0.00 -0.81 0.00 0.00 59.98 59.64 1x37 h ARG 43 Cb 1.65 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.94 1x37 h ARG 43 CO -0.57 0.91 -0.05 1.88 -1.51 0.00 0.00 179.97 180.63 1x37 h TYR 44 N 1.25 1.15 0.00 2.20 -1.99 0.33 -3.36 116.97 116.54 1x37 h TYR 44 Ca 0.31 -0.22 0.00 0.00 2.00 0.00 0.00 58.73 60.83 1x37 h TYR 44 Cb 0.04 -0.29 0.00 0.00 2.00 0.00 0.00 36.73 38.47 1x37 h TYR 44 CO 0.01 1.03 -0.04 1.88 -0.00 0.00 0.00 178.16 181.04 1x37 h TYR 45 N 0.94 0.00 0.00 4.88 0.05 -0.71 -3.34 116.97 118.79 1x37 h TYR 45 Ca 0.16 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.94 1x37 h TYR 45 Cb 0.61 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.35 1x37 h TYR 45 CO 0.04 0.00 0.00 2.41 -1.05 0.00 0.00 178.16 179.56 1x37 n THR 46 N -2.46 0.00 -2.36 -2.88 -1.04 0.65 -4.87 114.28 101.32 1x37 n THR 46 Ca -0.01 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.58 1x37 n THR 46 Cb 0.02 -0.46 -0.03 0.00 -1.82 0.00 0.00 70.33 68.04 1x37 n THR 46 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x37 s ARG 47 N -0.92 4.34 0.05 -2.82 1.04 -1.26 -5.00 118.95 114.38 1x37 s ARG 47 Ca 0.00 1.80 -0.19 0.00 -1.04 0.00 0.00 55.73 56.30 1x37 s ARG 47 Cb 0.00 -3.51 -0.06 0.00 -2.04 0.00 0.00 34.95 29.34 1x37 s ARG 47 CO 0.00 -0.45 0.57 -1.83 -0.04 0.00 0.00 175.30 173.54 1x37 s GLU 48 N 2.01 4.22 -0.18 3.89 -1.05 -1.26 -4.93 118.70 121.40 1x37 s GLU 48 Ca 0.59 0.72 0.04 0.00 -0.15 0.00 0.00 54.97 56.18 1x37 s GLU 48 Cb -0.28 -3.26 0.14 0.00 -0.44 0.00 0.00 34.13 30.29 1x37 s GLU 48 CO 0.25 0.58 0.94 0.00 0.95 0.00 0.00 175.26 177.98 1x37 n ALA 49 N 1.97 -0.61 -0.30 -0.84 0.00 -1.26 -5.13 120.51 114.35 1x37 n ALA 49 Ca -0.10 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1x37 n ALA 49 Cb 0.51 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.23 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 -0.55 -3.39 0.36 0.00 0.00 -1.26 -4.14 105.19 96.21 1x37 n GLY 50 Ca -0.11 -1.02 0.09 0.00 0.00 0.00 0.00 46.02 44.98 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 0.37 0.88 -0.99 1.61 -1.51 -1.99 -2.35 116.25 112.27 1x37 h VAL 51 Ca 0.00 -0.32 0.13 0.00 -1.23 0.00 0.00 66.70 65.29 1x37 h VAL 51 Cb 0.00 -0.13 -0.15 0.00 -2.13 0.00 0.00 31.29 28.89 1x37 h VAL 51 CO 0.00 0.17 -0.44 -1.14 -1.23 0.00 0.00 177.57 174.93 1x37 n ARG 52 N -4.63 -0.29 -0.04 5.19 3.00 -1.26 0.01 116.66 118.64 1x37 n ARG 52 Ca 0.19 1.51 -0.11 0.00 -0.00 0.00 0.00 57.85 59.45 1x37 n ARG 52 Cb 0.40 -2.24 -0.04 0.00 0.00 0.00 0.00 32.46 30.58 1x37 n ARG 52 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 1x37 h SER 53 N 0.00 0.21 -0.07 6.15 0.02 -1.58 -1.52 113.55 116.76 1x37 h SER 53 Ca 0.29 -0.07 0.03 0.00 -0.84 0.00 0.00 61.79 61.20 1x37 h SER 53 Cb 0.54 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.96 1x37 h SER 53 CO -0.97 0.22 -0.47 0.25 -1.14 0.00 0.00 176.83 174.73 1x37 h LEU 54 N 0.19 -1.45 -1.11 5.07 5.85 -0.35 0.33 115.31 123.84 1x37 h LEU 54 Ca 0.06 0.18 0.22 0.00 0.84 0.00 0.00 57.88 59.18 1x37 h LEU 54 Cb 0.05 0.57 -0.11 0.00 0.37 0.00 0.00 40.66 41.55 1x37 h LEU 54 CO -0.01 -0.47 0.62 -0.08 -0.34 0.00 0.00 178.44 178.16 1x37 h GLU 55 N -0.57 0.61 -0.82 1.25 4.22 -0.47 0.36 114.58 119.17 1x37 h GLU 55 Ca 0.05 -0.04 -0.04 0.00 0.08 0.00 0.00 59.36 59.42 1x37 h GLU 55 Cb 0.67 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 1x37 h GLU 55 CO -0.38 0.40 0.37 -0.09 -2.18 0.00 0.00 179.01 177.13 1x37 h ARG 56 N 0.63 1.19 -0.11 1.92 2.43 0.60 0.15 114.38 121.19 1x37 h ARG 56 Ca 0.59 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.57 1x37 h ARG 56 Cb 1.11 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 30.44 1x37 h ARG 56 CO -0.37 0.93 0.03 1.96 -1.51 0.00 0.00 179.97 181.00 1x37 h GLN 57 N 1.17 0.16 -0.64 0.20 7.50 0.20 0.17 115.11 123.87 1x37 h GLN 57 Ca 0.28 -0.04 -0.09 0.00 0.50 0.00 0.00 58.65 59.30 1x37 h GLN 57 Cb 0.15 -0.02 -0.02 0.00 0.05 0.00 0.00 27.48 27.63 1x37 h GLN 57 CO -0.03 0.32 0.05 -0.07 -1.50 0.00 0.00 178.83 177.60 1x37 h LEU 58 N -0.02 1.06 -1.04 1.46 3.38 -1.12 -1.89 115.31 117.14 1x37 h LEU 58 Ca 0.03 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 1x37 h LEU 58 Cb 0.22 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1x37 h LEU 58 CO -0.00 1.08 0.22 0.00 0.09 0.00 0.00 178.44 179.83 1x37 h ALA 59 N 1.03 1.24 0.54 1.53 0.00 -0.52 -0.25 119.26 122.82 1x37 h ALA 59 Ca 0.19 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1x37 h ALA 59 Cb 0.51 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1x37 h ALA 59 CO 0.02 0.55 -0.26 0.00 0.00 0.00 0.00 179.25 179.57 1x37 h ALA 60 N 1.35 -0.72 -0.42 0.00 0.00 -0.01 -1.71 119.26 117.75 1x37 h ALA 60 Ca 0.21 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1x37 h ALA 60 Cb 0.21 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1x37 h ALA 60 CO -0.01 -0.85 0.13 0.97 0.00 0.00 0.00 179.25 179.48 1x37 h ILE 61 N -0.83 1.22 0.31 0.00 2.10 -1.24 0.18 117.51 119.24 1x37 h ILE 61 Ca -0.07 -0.72 -0.01 0.00 1.08 0.00 0.00 64.86 65.14 1x37 h ILE 61 Cb 0.60 0.90 -0.02 0.00 -1.09 0.00 0.00 36.82 37.21 1x37 h ILE 61 CO 0.12 0.26 -0.37 0.00 -1.08 0.00 0.00 178.15 177.08 1x37 h ARG 63 N -0.69 0.16 -1.12 0.00 9.65 -1.33 -0.83 114.38 120.22 1x37 h ARG 63 Ca -0.04 -0.03 0.42 0.00 -1.10 0.00 0.00 59.98 59.23 1x37 h ARG 63 Cb 0.61 -0.02 -0.16 0.00 -1.39 0.00 0.00 29.97 29.01 1x37 h ARG 63 CO -0.08 0.29 0.65 -0.22 2.80 0.00 0.00 179.97 183.41 1x37 h LYS 64 N -0.01 0.05 -0.06 0.20 3.64 -0.53 4.02 116.57 123.89 1x37 h LYS 64 Ca 0.03 -0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.19 1x37 h LYS 64 Cb 0.19 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1x37 h LYS 64 CO -0.00 0.04 -0.86 0.00 -2.27 0.00 0.00 179.45 176.35 1x37 h ALA 65 N 1.85 0.36 0.63 5.00 0.00 -0.38 -1.28 119.26 125.45 1x37 h ALA 65 Ca 0.84 -0.65 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1x37 h ALA 65 Cb 2.33 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 20.11 1x37 h ALA 65 CO -0.64 0.74 -0.30 0.00 0.00 0.00 0.00 179.25 179.04 1x37 h ALA 66 N 0.67 -0.85 -0.70 0.00 0.00 0.90 -3.03 119.26 116.25 1x37 h ALA 66 Ca -0.07 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1x37 h ALA 66 Cb 1.49 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 19.57 1x37 h ALA 66 CO 0.16 -0.93 0.21 -0.22 0.00 0.00 0.00 179.25 178.48 1x37 h LYS 67 N -0.95 1.08 0.00 0.00 3.64 -0.79 -1.58 116.57 117.97 1x37 h LYS 67 Ca -0.09 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 1x37 h LYS 67 Cb 0.68 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1x37 h LYS 67 CO 0.14 0.93 0.00 0.00 -2.27 0.00 0.00 179.45 178.25 1x37 n ALA 68 N -2.45 1.49 0.00 5.00 0.00 -0.48 -2.88 120.51 121.19 1x37 n ALA 68 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1x37 n ALA 68 Cb 0.23 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 -0.84 0.37 0.05 0.00 3.06 -0.60 -2.82 119.36 118.58 1x37 n ILE 69 Ca 0.00 0.09 0.02 0.00 -2.50 0.00 0.00 62.75 60.36 1x37 n ILE 69 Cb 0.00 -1.09 0.11 0.00 0.54 0.00 0.00 39.64 39.20 1x37 n ILE 69 CO 0.00 0.00 0.00 1.33 -2.50 0.00 0.00 176.55 175.38 1x37 n VAL 70 N -1.09 0.95 -2.47 9.51 0.24 -1.14 -4.50 118.33 119.84 1x37 n VAL 70 Ca 0.00 0.58 -0.32 0.00 -2.04 0.00 0.00 64.34 62.56 1x37 n VAL 70 Cb 0.00 -1.58 -0.04 0.00 -1.47 0.00 0.00 33.84 30.75 1x37 n VAL 70 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x37 s ALA 71 N -2.80 3.09 -0.63 2.33 0.00 -1.13 -4.99 121.76 117.62 1x37 s ALA 71 Ca -0.00 0.17 -0.22 0.00 0.00 0.00 0.00 51.96 51.90 1x37 s ALA 71 Cb 0.01 -3.09 0.07 0.00 0.00 0.00 0.00 23.12 20.12 1x37 s ALA 71 CO 0.04 -0.19 0.91 -1.21 0.00 0.00 0.00 175.76 175.31 1x37 s GLU 72 N -3.98 3.12 0.17 0.00 0.41 -1.26 -4.97 118.70 112.18 1x37 s GLU 72 Ca 0.58 -0.87 -0.23 0.00 -0.41 0.00 0.00 54.97 54.05 1x37 s GLU 72 Cb -0.10 -4.21 0.06 0.00 -1.78 0.00 0.00 34.13 28.10 1x37 s GLU 72 CO 0.30 -1.72 0.66 -1.83 -0.49 0.00 0.00 175.26 172.17 1x37 s GLU 73 N 3.78 1.34 1.04 1.61 -1.05 -1.26 -5.15 118.70 119.00 1x37 s GLU 73 Ca 0.21 -0.56 -0.18 0.00 -0.15 0.00 0.00 54.97 54.29 1x37 s GLU 73 Cb -0.18 0.57 0.01 0.00 -0.44 0.00 0.00 34.13 34.10 1x37 s GLU 73 CO 0.10 -0.59 -0.18 0.54 0.95 0.00 0.00 175.26 176.08 1x37 n ARG 74 N -0.39 -0.81 0.00 -4.83 1.74 -1.26 -4.98 116.66 106.14 1x37 n ARG 74 Ca -0.13 -0.22 0.00 0.00 -0.77 0.00 0.00 57.85 56.73 1x37 n ARG 74 Cb 0.63 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 1x37 n ARG 74 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1x37 n LYS 75 N -0.83 0.40 -2.96 5.56 5.02 -1.26 -4.76 118.16 119.32 1x37 n LYS 75 Ca 0.02 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.29 1x37 n LYS 75 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.62 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 -0.57 -2.00 -2.41 1.97 1.74 -0.99 -4.83 116.66 109.58 1x37 n ARG 76 Ca 0.00 1.84 -0.42 0.00 -0.77 0.00 0.00 57.85 58.50 1x37 n ARG 76 Cb 0.00 -3.37 -0.03 0.00 -1.02 0.00 0.00 32.46 28.04 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 -1.40 4.16 -0.05 0.55 1.01 -1.26 -4.76 121.20 119.44 1x37 s ILE 77 Ca 0.03 1.48 -0.20 0.00 0.00 0.00 0.00 60.65 61.96 1x37 s ILE 77 Cb -0.01 -3.95 -0.05 0.00 0.01 0.00 0.00 42.46 38.47 1x37 s ILE 77 CO 0.45 -0.03 0.57 -0.89 0.00 0.00 0.00 174.94 175.05 1x37 s THR 78 N 2.52 5.02 0.08 2.92 2.01 -1.26 -0.40 115.64 126.54 1x37 s THR 78 Ca 0.57 1.18 0.07 0.00 0.31 0.00 0.00 61.69 63.82 1x37 s THR 78 Cb -0.25 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 1x37 s THR 78 CO 0.21 0.36 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.72 1x37 s VAL 79 N 0.21 3.35 0.00 3.82 1.01 0.16 -4.96 120.40 124.00 1x37 s VAL 79 Ca 0.31 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1x37 s VAL 79 Cb -0.17 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.67 1x37 s VAL 79 CO 0.15 0.17 0.00 0.35 0.00 0.00 0.00 175.10 175.77 1x37 n THR 80 N 0.89 0.00 -0.02 3.92 -2.24 -1.26 -4.05 114.28 111.52 1x37 n THR 80 Ca -0.14 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.43 1x37 n THR 80 Cb 0.52 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.62 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 0.72 -0.06 -0.78 0.28 -1.26 -3.62 120.64 115.93 1x37 n GLU 81 Ca 0.00 0.30 -0.16 0.00 -0.16 0.00 0.00 57.16 57.14 1x37 n GLU 81 Cb 0.00 -1.70 -0.06 0.00 1.43 0.00 0.00 31.44 31.12 1x37 n GLU 81 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 177.13 178.54 1x37 h LYS 82 N -0.11 0.80 -0.92 3.44 2.10 -2.00 -3.06 116.57 116.83 1x37 h LYS 82 Ca -0.43 -0.57 0.09 0.00 -2.00 0.00 0.00 60.65 57.74 1x37 h LYS 82 Cb 1.91 0.09 -0.07 0.00 -0.90 0.00 0.00 32.23 33.27 1x37 h LYS 82 CO 0.02 1.19 0.59 -0.91 -2.00 0.00 0.00 179.45 178.35 1x37 h ASN 83 N 0.55 0.87 -0.97 7.07 2.35 -1.97 -1.93 115.58 121.57 1x37 h ASN 83 Ca -0.01 0.02 0.29 0.00 -0.55 0.00 0.00 56.30 56.04 1x37 h ASN 83 Cb 1.23 -0.16 -0.18 0.00 0.05 0.00 0.00 38.32 39.25 1x37 h ASN 83 CO 0.13 0.53 0.09 -0.11 -1.65 0.00 0.00 177.43 176.42 1x37 n LEU 84 N -4.52 -0.05 -0.21 1.61 -0.00 -1.16 0.21 117.00 112.88 1x37 n LEU 84 Ca 0.15 1.64 -0.09 0.00 -0.00 0.00 0.00 56.01 57.71 1x37 n LEU 84 Cb 0.26 -0.62 0.02 0.00 -0.00 0.00 0.00 43.42 43.08 1x37 n LEU 84 CO 0.31 -1.68 0.89 1.56 -0.00 0.00 0.00 177.39 178.46 1x37 h GLN 85 N 0.00 0.95 -0.95 1.96 4.20 -1.51 0.11 115.11 119.87 1x37 h GLN 85 Ca 0.62 -0.25 0.09 0.00 0.06 0.00 0.00 58.65 59.17 1x37 h GLN 85 Cb 1.34 -0.11 -0.07 0.00 0.30 0.00 0.00 27.48 28.94 1x37 h GLN 85 CO -0.89 0.90 0.61 -0.44 -0.67 0.00 0.00 178.83 178.35 1x37 h ASP 86 N 0.85 0.92 0.00 1.46 3.32 0.24 1.54 116.42 124.75 1x37 h ASP 86 Ca 0.18 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1x37 h ASP 86 Cb 0.40 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1x37 h ASP 86 CO 0.01 0.55 -0.00 -0.26 -1.72 0.00 0.00 179.24 177.82 1x37 h PHE 87 N 1.02 0.00 0.12 4.55 0.04 -0.76 -3.41 116.94 118.50 1x37 h PHE 87 Ca 0.44 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.20 1x37 h PHE 87 Cb 0.32 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.47 1x37 h PHE 87 CO -0.00 0.00 -0.06 0.82 -0.60 0.00 0.00 178.31 178.47 1x37 h ILE 88 N -0.10 0.94 0.00 -0.55 2.04 -0.82 -3.45 117.51 115.56 1x37 h ILE 88 Ca 0.00 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 64.59 1x37 h ILE 88 Cb 0.00 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1x37 h ILE 88 CO 0.00 0.26 0.00 0.61 0.00 0.00 0.00 178.15 179.02 1x37 n GLY 89 N 0.78 0.46 3.77 5.37 0.00 0.53 -4.87 105.19 111.23 1x37 n GLY 89 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 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 4.03 0.13 1.61 -0.14 -1.26 -4.95 119.74 119.16 1x37 s LYS 90 Ca 0.00 1.85 -0.05 0.00 -1.36 0.00 0.00 55.97 56.41 1x37 s LYS 90 Cb 0.00 -2.66 -0.02 0.00 -1.68 0.00 0.00 37.83 33.47 1x37 s LYS 90 CO 0.00 -0.34 0.16 -0.98 -0.76 0.00 0.00 175.35 173.42 1x37 s ARG 91 N -2.33 0.99 0.00 1.68 1.70 -1.26 -5.04 118.95 114.69 1x37 s ARG 91 Ca 0.58 -1.27 0.00 0.00 -0.47 0.00 0.00 55.73 54.57 1x37 s ARG 91 Cb -0.31 0.30 0.00 0.00 -0.57 0.00 0.00 34.95 34.38 1x37 s ARG 91 CO 0.39 -0.32 0.00 -0.89 -1.08 0.00 0.00 175.30 173.40 1x37 n ILE 92 N -0.12 0.00 -2.36 4.99 5.41 -1.26 -5.08 119.36 120.94 1x37 n ILE 92 Ca -0.08 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.36 1x37 n ILE 92 Cb 0.63 -0.66 -0.02 0.00 -0.71 0.00 0.00 39.64 38.88 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 -1.79 3.52 -0.90 1.39 0.40 -1.25 -5.00 117.98 114.35 1x37 s PHE 93 Ca 0.00 1.26 0.00 0.00 -0.60 0.00 0.00 56.93 57.59 1x37 s PHE 93 Cb 0.00 -2.64 0.31 0.00 0.51 0.00 0.00 43.02 41.19 1x37 s PHE 93 CO 0.00 -0.40 1.38 0.54 0.70 0.00 0.00 175.22 177.44 1x37 n ARG 94 N -1.94 4.25 -0.48 0.44 5.12 -1.26 -5.05 116.66 117.74 1x37 n ARG 94 Ca 0.05 -4.67 0.00 0.00 -1.93 0.00 0.00 57.85 51.30 1x37 n ARG 94 Cb 0.54 -2.41 0.00 0.00 -1.16 0.00 0.00 32.46 29.43 1x37 n ARG 94 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68