#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hu5 s ARG 7 N 0.00 3.37 -0.30 -3.83 0.52 -1.26 -5.07 118.95 112.38 3hu5 s ARG 7 Ca 0.00 -0.76 -0.02 0.00 -0.52 0.00 0.00 55.73 54.43 3hu5 s ARG 7 Cb 0.00 -2.85 0.05 0.00 0.52 0.00 0.00 34.95 32.67 3hu5 s ARG 7 CO 0.00 0.31 0.01 0.99 0.02 0.00 0.00 175.30 176.63 3hu5 s THR 8 N -2.07 3.03 -0.12 0.02 2.01 -1.26 -5.02 115.64 112.24 3hu5 s THR 8 Ca 0.37 -1.38 -0.06 0.00 0.31 0.00 0.00 61.69 60.93 3hu5 s THR 8 Cb -0.09 -2.75 -0.04 0.00 0.01 0.00 0.00 72.50 69.63 3hu5 s THR 8 CO 0.30 -0.12 0.10 -0.69 -0.69 0.00 0.00 174.62 173.53 3hu5 s VAL 9 N 1.26 5.20 0.10 3.82 1.01 -1.26 -0.67 120.40 129.85 3hu5 s VAL 9 Ca -0.05 0.09 0.09 0.00 0.00 0.00 0.00 61.98 62.12 3hu5 s VAL 9 Cb -0.20 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 3hu5 s VAL 9 CO -0.01 0.59 -0.23 0.00 0.00 0.00 0.00 175.10 175.45 3hu5 s ALA 10 N -0.81 2.02 -0.19 5.51 0.00 0.12 -4.63 121.76 123.77 3hu5 s ALA 10 Ca 0.13 -1.30 -0.04 0.00 0.00 0.00 0.00 51.96 50.75 3hu5 s ALA 10 Cb -0.12 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 3hu5 s ALA 10 CO 0.03 0.43 -0.03 -1.17 0.00 0.00 0.00 175.76 175.02 3hu5 s LEU 11 N -1.85 3.07 -0.16 0.00 2.96 -1.26 -0.36 118.68 121.08 3hu5 s LEU 11 Ca 0.09 -0.27 -0.05 0.00 -0.22 0.00 0.00 54.13 53.68 3hu5 s LEU 11 Cb -0.10 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.79 3hu5 s LEU 11 CO 0.04 0.06 0.01 0.00 -1.32 0.00 0.00 176.35 175.14 3hu5 s ALA 12 N 1.02 3.20 -0.27 5.97 0.00 0.28 -0.10 121.76 131.86 3hu5 s ALA 12 Ca 0.01 -0.78 -0.03 0.00 0.00 0.00 0.00 51.96 51.16 3hu5 s ALA 12 Cb -0.15 -1.72 0.03 0.00 0.00 0.00 0.00 23.12 21.29 3hu5 s ALA 12 CO 0.01 0.22 -0.01 0.42 0.00 0.00 0.00 175.76 176.40 3hu5 s ILE 13 N 0.30 3.18 -0.20 0.00 1.01 -0.19 -1.53 121.20 123.78 3hu5 s ILE 13 Ca -0.00 -1.04 -0.04 0.00 0.00 0.00 0.00 60.65 59.57 3hu5 s ILE 13 Cb -0.13 -2.68 -0.02 0.00 0.01 0.00 0.00 42.46 39.64 3hu5 s ILE 13 CO 0.02 0.08 -0.04 -0.63 0.00 0.00 0.00 174.94 174.37 3hu5 s ILE 14 N 1.35 3.60 0.24 2.92 1.01 0.16 -0.22 121.20 130.26 3hu5 s ILE 14 Ca -0.01 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.21 3hu5 s ILE 14 Cb -0.18 -2.62 0.00 0.00 0.01 0.00 0.00 42.46 39.68 3hu5 s ILE 14 CO -0.02 0.44 0.00 0.47 0.00 0.00 0.00 174.94 175.83 3hu5 n ASP 15 N 4.32 -8.94 0.00 3.58 9.92 0.41 -0.95 116.55 124.90 3hu5 n ASP 15 Ca -0.18 1.35 0.00 0.00 -0.53 0.00 0.00 54.79 55.43 3hu5 n ASP 15 Cb 0.52 -4.98 0.00 0.00 -0.64 0.00 0.00 41.12 36.01 3hu5 n ASP 15 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hu5 n GLN 17 N 1.58 0.00 -0.26 -1.24 6.02 -1.26 -4.68 117.38 117.54 3hu5 n GLN 17 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.00 3hu5 n GLN 17 Cb 0.00 0.00 0.08 0.00 1.02 0.00 0.00 30.24 31.34 3hu5 n GLN 17 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 3hu5 h ASN 18 N 0.00 -0.73 -0.03 1.08 2.35 -0.92 -1.58 115.58 115.75 3hu5 h ASN 18 Ca 0.00 0.23 0.01 0.00 -0.55 0.00 0.00 56.30 55.99 3hu5 h ASN 18 Cb 0.00 0.48 -0.00 0.00 0.05 0.00 0.00 38.32 38.84 3hu5 h ASN 18 CO 0.00 -0.25 0.14 0.44 -1.65 0.00 0.00 177.43 176.10 3hu5 h ASP 19 N -0.01 0.00 0.00 5.81 3.32 -1.38 -1.17 116.42 123.00 3hu5 h ASP 19 Ca 0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 3hu5 h ASP 19 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 3hu5 h ASP 19 CO -0.77 0.00 -1.63 0.49 -1.72 0.00 0.00 179.24 175.60 3hu5 n PHE 20 N -3.19 0.00 -0.03 4.55 3.72 -0.66 -3.00 117.46 118.86 3hu5 n PHE 20 Ca -0.02 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.35 3hu5 n PHE 20 Cb 0.21 -0.32 -0.03 0.00 -0.94 0.00 0.00 39.48 38.40 3hu5 n PHE 20 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3hu5 n VAL 21 N -1.98 0.31 -2.41 -4.37 0.31 -0.80 -0.31 118.33 109.07 3hu5 n VAL 21 Ca -0.01 -0.14 -0.42 0.00 -0.01 0.00 0.00 64.34 63.76 3hu5 n VAL 21 Cb 0.47 -0.74 -0.03 0.00 -0.91 0.00 0.00 33.84 32.63 3hu5 n VAL 21 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3hu5 s LEU 22 N -5.08 4.34 0.22 7.52 1.43 -0.51 -4.76 118.68 121.84 3hu5 s LEU 22 Ca -0.06 1.97 -0.30 0.00 -1.03 0.00 0.00 54.13 54.71 3hu5 s LEU 22 Cb 0.02 -3.57 -0.15 0.00 0.03 0.00 0.00 46.19 42.51 3hu5 s LEU 22 CO 0.14 -0.53 0.96 -2.65 0.23 0.00 0.00 176.35 174.51 3hu5 n PRO 23 N 4.42 0.96 -0.01 1.29 -0.02 -1.26 -0.73 135.00 139.65 3hu5 n PRO 23 Ca 0.10 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3hu5 n PRO 23 Cb 0.46 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 3hu5 n PRO 23 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hu5 n GLY 24 N 1.65 2.74 3.74 -1.23 0.00 -1.26 -5.01 105.19 105.82 3hu5 n GLY 24 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 3hu5 n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hu5 s ALA 25 N -2.93 2.08 0.24 4.61 0.00 0.09 -4.91 121.76 120.94 3hu5 s ALA 25 Ca 0.00 0.55 0.09 0.00 0.00 0.00 0.00 51.96 52.60 3hu5 s ALA 25 Cb 0.00 -3.37 0.24 0.00 0.00 0.00 0.00 23.12 19.98 3hu5 s ALA 25 CO 0.00 -1.92 1.54 -1.00 0.00 0.00 0.00 175.76 174.38 3hu5 h PRO 26 N -0.86 0.01 -0.64 0.00 0.13 -1.88 -2.48 132.00 126.29 3hu5 h PRO 26 Ca -0.45 -0.01 -0.17 0.00 -0.87 0.00 0.00 66.00 64.50 3hu5 h PRO 26 Cb 1.26 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.29 3hu5 h PRO 26 CO 0.49 0.70 0.19 0.00 -0.23 0.00 0.00 178.00 179.16 3hu5 n ALA 27 N -2.41 4.32 -1.68 -0.56 0.00 -1.19 -5.01 120.51 113.98 3hu5 n ALA 27 Ca -0.01 -2.38 -0.45 0.00 0.00 0.00 0.00 53.44 50.60 3hu5 n ALA 27 Cb 0.68 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 18.97 3hu5 n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hu5 s VAL 29 N 0.44 5.15 0.31 0.00 1.01 0.57 -4.97 120.40 122.92 3hu5 s VAL 29 Ca 0.73 0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.83 3hu5 s VAL 29 Cb -0.63 -3.84 0.31 0.00 0.00 0.00 0.00 36.38 32.21 3hu5 s VAL 29 CO 0.43 -0.12 1.69 -0.33 0.00 0.00 0.00 175.10 176.77 3hu5 h GLU 30 N 8.48 0.40 -0.00 2.72 3.07 -1.79 0.47 114.58 127.93 3hu5 h GLU 30 Ca -0.29 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.54 3hu5 h GLU 30 Cb 1.14 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.96 3hu5 h GLU 30 CO 0.70 0.26 -0.07 0.41 -1.40 0.00 0.00 179.01 178.92 3hu5 n GLY 31 N -1.32 -1.28 1.01 -3.84 0.00 -0.77 -4.72 105.19 94.28 3hu5 n GLY 31 Ca 0.26 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3hu5 n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hu5 n ALA 32 N -1.31 1.87 0.00 4.61 0.00 0.15 -3.58 120.51 122.25 3hu5 n ALA 32 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3hu5 n ALA 32 Cb 0.29 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.73 3hu5 n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hu5 n GLY 34 N 0.83 0.00 0.21 0.00 0.00 -1.26 -3.39 105.19 101.58 3hu5 n GLY 34 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 3hu5 n GLY 34 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hu5 n THR 35 N 0.00 0.00 -0.29 2.61 -2.24 -1.24 -4.44 114.28 108.68 3hu5 n THR 35 Ca 0.00 -0.11 0.08 0.00 -2.27 0.00 0.00 64.05 61.75 3hu5 n THR 35 Cb 0.00 0.34 0.24 0.00 -2.10 0.00 0.00 70.33 68.81 3hu5 n THR 35 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3hu5 h VAL 36 N 1.03 0.66 -1.00 2.28 2.07 -1.91 -1.23 116.25 118.14 3hu5 h VAL 36 Ca 0.00 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.37 3hu5 h VAL 36 Cb 0.49 0.07 -0.06 0.00 -1.52 0.00 0.00 31.29 30.27 3hu5 h VAL 36 CO 0.00 0.10 0.66 -0.65 0.02 0.00 0.00 177.57 177.70 3hu5 h PRO 37 N 0.54 1.25 -0.19 1.57 0.11 -1.94 0.18 132.00 133.52 3hu5 h PRO 37 Ca 0.48 -0.07 -0.13 0.00 0.11 0.00 0.00 66.00 66.38 3hu5 h PRO 37 Cb 0.75 -0.28 0.00 0.00 0.11 0.00 0.00 31.00 31.58 3hu5 h PRO 37 CO -0.41 0.82 -0.40 0.28 -0.21 0.00 0.00 178.00 178.09 3hu5 h VAL 38 N 1.28 1.33 -0.97 3.15 2.07 -1.66 -0.32 116.25 121.13 3hu5 h VAL 38 Ca 0.39 -1.64 0.03 0.00 0.82 0.00 0.00 66.70 66.30 3hu5 h VAL 38 Cb -0.03 1.90 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 3hu5 h VAL 38 CO -0.12 0.50 0.64 0.40 0.02 0.00 0.00 177.57 179.02 3hu5 h ILE 39 N 0.27 1.20 -0.80 4.57 2.04 -0.85 0.06 117.51 123.99 3hu5 h ILE 39 Ca 0.00 -0.44 -0.04 0.00 1.00 0.00 0.00 64.86 65.39 3hu5 h ILE 39 Cb 1.00 -0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 3hu5 h ILE 39 CO 0.09 0.23 0.36 0.00 0.00 0.00 0.00 178.15 178.83 3hu5 h ALA 40 N 1.38 1.04 -0.72 1.87 0.00 -0.40 0.13 119.26 122.57 3hu5 h ALA 40 Ca 0.38 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.14 3hu5 h ALA 40 Cb -0.06 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.37 3hu5 h ALA 40 CO -0.10 0.63 0.46 0.78 0.00 0.00 0.00 179.25 181.01 3hu5 h GLY 41 N 1.15 1.03 0.96 0.00 0.00 -0.40 0.69 103.07 106.50 3hu5 h GLY 41 Ca 0.27 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 3hu5 h GLY 41 CO -0.03 0.31 0.22 -2.00 0.00 0.00 0.00 176.54 175.03 3hu5 h LEU 42 N 0.90 0.56 -0.95 3.11 5.85 -0.55 -0.28 115.31 123.95 3hu5 h LEU 42 Ca 0.28 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 3hu5 h LEU 42 Cb -0.01 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 3hu5 h LEU 42 CO -0.10 0.52 0.06 0.25 -0.34 0.00 0.00 178.44 178.83 3hu5 h LEU 43 N 0.56 0.79 -0.74 2.25 5.85 -0.62 -0.69 115.31 122.72 3hu5 h LEU 43 Ca 0.15 -0.17 -0.11 0.00 0.84 0.00 0.00 57.88 58.59 3hu5 h LEU 43 Cb 0.10 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 3hu5 h LEU 43 CO -0.02 0.82 -0.20 0.00 -0.34 0.00 0.00 178.44 178.70 3hu5 h ALA 44 N 1.28 0.92 -0.15 1.25 0.00 -0.64 -1.35 119.26 120.56 3hu5 h ALA 44 Ca 0.16 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3hu5 h ALA 44 Cb 0.38 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3hu5 h ALA 44 CO 0.01 0.62 0.06 -0.22 0.00 0.00 0.00 179.25 179.71 3hu5 h LYS 45 N 0.66 0.23 -0.62 0.00 3.64 -0.60 -0.72 116.57 119.16 3hu5 h LYS 45 Ca 0.10 -0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.56 3hu5 h LYS 45 Cb 0.70 -0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 32.37 3hu5 h LYS 45 CO 0.05 0.33 -0.06 0.00 -2.27 0.00 0.00 179.45 177.50 3hu5 h ALA 46 N 0.89 0.54 -0.58 5.00 0.00 -0.88 -1.02 119.26 123.20 3hu5 h ALA 46 Ca 0.05 0.21 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 3hu5 h ALA 46 Cb 0.19 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3hu5 h ALA 46 CO -0.00 -0.41 0.01 0.00 0.00 0.00 0.00 179.25 178.84 3hu5 h ARG 47 N 0.06 1.01 0.00 0.00 3.08 -1.06 0.52 114.38 118.00 3hu5 h ARG 47 Ca 0.32 -0.31 -0.07 0.00 0.07 0.00 0.00 59.98 59.99 3hu5 h ARG 47 Cb 0.51 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 3hu5 h ARG 47 CO -0.58 0.98 -0.35 0.00 -1.07 0.00 0.00 179.97 178.95 3hu5 h ALA 48 N 1.07 1.39 -0.01 0.04 0.00 -0.27 -2.85 119.26 118.63 3hu5 h ALA 48 Ca 0.17 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3hu5 h ALA 48 Cb 0.53 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3hu5 h ALA 48 CO 0.03 0.44 -0.44 0.39 0.00 0.00 0.00 179.25 179.67 3hu5 n GLU 49 N -4.08 0.76 -1.56 0.00 -0.58 -0.47 -4.94 120.64 109.77 3hu5 n GLU 49 Ca -0.02 -0.54 -0.06 0.00 -0.42 0.00 0.00 57.16 56.12 3hu5 n GLU 49 Cb 0.39 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 29.76 3hu5 n GLU 49 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hu5 n GLY 50 N 1.40 0.57 0.00 0.62 0.00 -0.15 -5.06 105.19 102.57 3hu5 n GLY 50 Ca 0.09 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.41 3hu5 n GLY 50 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3hu5 n TRP 51 N -3.29 0.00 -3.57 1.61 8.01 -0.01 -4.99 117.44 115.21 3hu5 n TRP 51 Ca -0.07 0.00 -0.02 0.00 -1.31 0.00 0.00 57.50 56.10 3hu5 n TRP 51 Cb 0.35 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.60 3hu5 n TRP 51 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 3hu5 s VAL 53 N 0.00 -0.41 -0.20 -0.99 1.01 -1.26 -4.72 120.40 113.82 3hu5 s VAL 53 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.99 3hu5 s VAL 53 Cb 0.00 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.40 3hu5 s VAL 53 CO 0.00 0.00 -0.16 -0.76 0.00 0.00 0.00 175.10 174.18 3hu5 s LEU 54 N 2.14 2.49 -0.47 3.92 1.02 0.86 -1.26 118.68 127.39 3hu5 s LEU 54 Ca -0.06 -0.75 -0.19 0.00 0.02 0.00 0.00 54.13 53.15 3hu5 s LEU 54 Cb -0.07 -1.53 0.04 0.00 0.02 0.00 0.00 46.19 44.65 3hu5 s LEU 54 CO -0.18 -0.04 0.57 -1.00 0.02 0.00 0.00 176.35 175.72 3hu5 s HIS 55 N 1.29 3.09 -0.23 0.29 3.76 0.20 -1.02 115.29 122.67 3hu5 s HIS 55 Ca 0.03 -0.41 -0.10 0.00 -0.15 0.00 0.00 55.06 54.42 3hu5 s HIS 55 Cb -0.14 -3.31 -0.05 0.00 1.11 0.00 0.00 32.58 30.18 3hu5 s HIS 55 CO -0.10 -0.90 0.15 0.08 -0.85 0.00 0.00 174.74 173.11 3hu5 s VAL 56 N 2.50 5.33 0.05 -0.90 1.01 0.69 -0.91 120.40 128.17 3hu5 s VAL 56 Ca 0.15 0.17 -0.04 0.00 0.00 0.00 0.00 61.98 62.26 3hu5 s VAL 56 Cb -0.18 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 3hu5 s VAL 56 CO 0.14 0.38 0.05 0.68 0.00 0.00 0.00 175.10 176.34 3hu5 s VAL 57 N 0.83 0.17 0.17 2.92 -7.23 -0.32 -0.44 120.40 116.49 3hu5 s VAL 57 Ca 0.07 -1.38 -0.13 0.00 -1.81 0.00 0.00 61.98 58.73 3hu5 s VAL 57 Cb -0.13 -1.17 -0.07 0.00 0.56 0.00 0.00 36.38 35.58 3hu5 s VAL 57 CO 0.02 -0.76 0.56 -0.13 -0.31 0.00 0.00 175.10 174.48 3hu5 s ARG 58 N -3.25 3.94 -0.45 4.82 0.52 -1.26 -0.92 118.95 122.35 3hu5 s ARG 58 Ca 0.01 0.45 0.07 0.00 -0.52 0.00 0.00 55.73 55.73 3hu5 s ARG 58 Cb 0.03 -2.85 0.24 0.00 0.52 0.00 0.00 34.95 32.89 3hu5 s ARG 58 CO -0.08 0.43 0.74 0.00 0.02 0.00 0.00 175.30 176.42 3hu5 n ALA 59 N 0.56 0.12 -1.82 2.13 0.00 -1.24 -4.89 120.51 115.37 3hu5 n ALA 59 Ca -0.04 -2.19 -0.41 0.00 0.00 0.00 0.00 53.44 50.81 3hu5 n ALA 59 Cb 0.52 -1.13 -0.04 0.00 0.00 0.00 0.00 19.45 18.80 3hu5 n ALA 59 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3hu5 s HIS 60 N -0.04 3.41 0.28 0.00 3.76 0.39 -4.29 115.29 118.82 3hu5 s HIS 60 Ca 0.33 1.56 -0.30 0.00 -0.15 0.00 0.00 55.06 56.51 3hu5 s HIS 60 Cb 0.20 -3.42 -0.12 0.00 1.11 0.00 0.00 32.58 30.35 3hu5 s HIS 60 CO -0.19 -1.03 1.48 0.54 -0.85 0.00 0.00 174.74 174.68 3hu5 n ARG 61 N 1.38 2.37 0.06 1.40 1.74 -1.26 -1.03 116.66 121.31 3hu5 n ARG 61 Ca 0.00 0.84 0.18 0.00 -0.77 0.00 0.00 57.85 58.10 3hu5 n ARG 61 Cb 0.44 -2.55 0.69 0.00 -1.02 0.00 0.00 32.46 30.02 3hu5 n ARG 61 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hu5 h ALA 62 N 4.15 2.38 0.00 7.54 0.00 -1.93 -2.16 119.26 129.23 3hu5 h ALA 62 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3hu5 h ALA 62 Cb 1.25 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3hu5 h ALA 62 CO 0.75 -0.52 0.00 -0.40 0.00 0.00 0.00 179.25 179.08 3hu5 n ASP 63 N -4.38 0.00 0.00 0.00 5.75 -1.26 -4.88 116.55 111.78 3hu5 n ASP 63 Ca 0.07 -0.31 0.00 0.00 -0.01 0.00 0.00 54.79 54.54 3hu5 n ASP 63 Cb 0.50 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 3hu5 n ASP 63 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hu5 n GLY 64 N 0.77 0.85 0.28 6.12 0.00 -0.81 -4.92 105.19 107.48 3hu5 n GLY 64 Ca 0.14 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.35 3hu5 n GLY 64 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hu5 h SER 65 N 0.00 0.00 -0.08 1.61 4.64 -1.90 -2.22 113.55 115.60 3hu5 h SER 65 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hu5 h SER 65 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3hu5 h SER 65 CO 0.00 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.06 3hu5 n ASP 66 N -2.99 2.28 -4.77 4.97 5.68 -1.26 -5.00 116.55 115.46 3hu5 n ASP 66 Ca -0.01 -2.13 -0.35 0.00 -0.50 0.00 0.00 54.79 51.81 3hu5 n ASP 66 Cb 0.21 -0.10 0.02 0.00 -1.14 0.00 0.00 41.12 40.10 3hu5 n ASP 66 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hu5 s ALA 67 N -1.22 2.62 0.72 2.12 0.00 -0.84 -4.85 121.76 120.31 3hu5 s ALA 67 Ca 0.09 0.78 -0.16 0.00 0.00 0.00 0.00 51.96 52.67 3hu5 s ALA 67 Cb 0.06 -3.36 0.03 0.00 0.00 0.00 0.00 23.12 19.85 3hu5 s ALA 67 CO 0.04 -0.93 1.24 -1.21 0.00 0.00 0.00 175.76 174.89 3hu5 s GLU 68 N -3.48 2.18 0.26 0.00 2.02 -1.26 -4.78 118.70 113.63 3hu5 s GLU 68 Ca 0.72 1.87 -0.05 0.00 0.02 0.00 0.00 54.97 57.52 3hu5 s GLU 68 Cb -0.24 -1.83 0.28 0.00 0.10 0.00 0.00 34.13 32.45 3hu5 s GLU 68 CO 0.31 -1.83 1.93 -0.22 0.02 0.00 0.00 175.26 175.47 3hu5 h LYS 69 N -0.12 1.29 0.00 1.61 3.64 -1.96 0.02 116.57 121.05 3hu5 h LYS 69 Ca -0.49 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 58.81 3hu5 h LYS 69 Cb 1.31 -0.29 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 3hu5 h LYS 69 CO 0.50 0.86 0.09 0.66 -2.27 0.00 0.00 179.45 179.29 3hu5 h SER 70 N 1.32 0.00 -0.00 4.20 4.64 -2.03 -2.97 113.55 118.71 3hu5 h SER 70 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 3hu5 h SER 70 Cb -0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 3hu5 h SER 70 CO -0.08 0.00 -0.02 0.54 -0.87 0.00 0.00 176.83 176.41 3hu5 n ARG 71 N -2.80 3.31 0.10 4.77 1.74 -0.08 -4.77 116.66 118.92 3hu5 n ARG 71 Ca -0.02 -0.25 0.04 0.00 -0.77 0.00 0.00 57.85 56.86 3hu5 n ARG 71 Cb 0.15 -0.75 0.47 0.00 -1.02 0.00 0.00 32.46 31.31 3hu5 n ARG 71 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 3hu5 h GLU 72 N 0.06 0.32 -0.39 5.56 4.81 -1.19 -2.39 114.58 121.36 3hu5 h GLU 72 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3hu5 h GLU 72 Cb 0.02 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 3hu5 h GLU 72 CO 0.00 0.27 0.25 1.12 -0.73 0.00 0.00 179.01 179.93 3hu5 h HIS 73 N 0.32 0.50 -0.12 0.92 2.07 -1.86 -2.12 115.15 114.86 3hu5 h HIS 73 Ca 0.08 0.01 0.04 0.00 -2.85 0.00 0.00 60.37 57.65 3hu5 h HIS 73 Cb 0.08 -0.17 -0.00 0.00 2.57 0.00 0.00 27.41 29.89 3hu5 h HIS 73 CO 0.00 0.32 0.19 -0.07 -3.07 0.00 0.00 177.93 175.31 3hu5 h LEU 74 N 0.54 0.00 -2.44 6.12 3.38 -1.79 -3.08 115.31 118.04 3hu5 h LEU 74 Ca 0.14 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 3hu5 h LEU 74 Cb -0.05 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 3hu5 h LEU 74 CO -0.03 0.00 0.12 0.49 0.09 0.00 0.00 178.44 179.11 3hu5 n PHE 75 N -3.52 0.54 -3.66 1.13 3.01 -0.80 -3.04 117.46 111.12 3hu5 n PHE 75 Ca 0.00 -0.80 -0.12 0.00 1.01 0.00 0.00 57.45 57.54 3hu5 n PHE 75 Cb 0.29 -0.40 -0.12 0.00 -0.01 0.00 0.00 39.48 39.24 3hu5 n PHE 75 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3hu5 s LEU 76 N -0.59 -0.37 -0.01 4.37 1.02 -1.17 -4.70 118.68 117.24 3hu5 s LEU 76 Ca 0.10 0.71 0.03 0.00 0.02 0.00 0.00 54.13 54.98 3hu5 s LEU 76 Cb 0.08 0.89 -0.01 0.00 0.02 0.00 0.00 46.19 47.18 3hu5 s LEU 76 CO 0.02 -0.23 -0.08 -1.83 0.02 0.00 0.00 176.35 174.24 3hu5 s GLU 77 N 2.41 0.70 0.00 1.70 4.04 -1.26 -4.98 118.70 121.31 3hu5 s GLU 77 Ca -0.00 -0.30 0.00 0.00 0.04 0.00 0.00 54.97 54.71 3hu5 s GLU 77 Cb -0.12 -0.67 0.00 0.00 0.02 0.00 0.00 34.13 33.36 3hu5 s GLU 77 CO -0.10 0.17 0.00 0.41 -1.84 0.00 0.00 175.26 173.91 3hu5 n GLY 78 N 2.91 1.72 7.00 -3.83 0.00 -1.26 -5.04 105.19 106.68 3hu5 n GLY 78 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3hu5 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hu5 n GLY 79 N 3.29 0.15 0.00 -0.02 0.00 -1.26 -4.52 105.19 102.83 3hu5 n GLY 79 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 3hu5 n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hu5 n GLY 80 N 0.00 0.66 3.10 -0.02 0.00 -1.17 -4.16 105.19 103.60 3hu5 n GLY 80 Ca 0.00 -1.76 -0.27 0.00 0.00 0.00 0.00 46.02 44.00 3hu5 n GLY 80 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hu5 s LEU 81 N 0.00 1.83 -1.41 0.99 2.96 -1.26 -4.75 118.68 117.04 3hu5 s LEU 81 Ca 0.00 -0.37 -0.07 0.00 -0.22 0.00 0.00 54.13 53.47 3hu5 s LEU 81 Cb 0.00 -1.00 0.01 0.00 0.50 0.00 0.00 46.19 45.70 3hu5 s LEU 81 CO 0.00 0.10 0.33 0.00 -1.32 0.00 0.00 176.35 175.46 3hu5 s VAL 83 N -4.02 3.03 0.01 0.00 1.01 -1.26 -0.46 120.40 118.72 3hu5 s VAL 83 Ca 0.11 0.92 -0.35 0.00 0.00 0.00 0.00 61.98 62.66 3hu5 s VAL 83 Cb -0.05 -3.59 -0.14 0.00 0.00 0.00 0.00 36.38 32.60 3hu5 s VAL 83 CO 0.94 0.17 1.68 0.00 0.00 0.00 0.00 175.10 177.89 3hu5 n ALA 84 N 1.92 0.70 0.00 5.51 0.00 -0.20 -1.76 120.51 126.67 3hu5 n ALA 84 Ca 0.04 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.87 3hu5 n ALA 84 Cb 0.42 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.52 3hu5 n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hu5 n GLY 85 N 3.74 1.81 3.88 0.00 0.00 -1.26 -4.96 105.19 108.41 3hu5 n GLY 85 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 3hu5 n GLY 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hu5 s THR 86 N -2.35 4.26 0.41 2.61 -4.23 -0.72 -4.97 115.64 110.66 3hu5 s THR 86 Ca 0.00 0.58 0.11 0.00 -1.18 0.00 0.00 61.69 61.21 3hu5 s THR 86 Cb 0.00 -3.71 0.17 0.00 1.34 0.00 0.00 72.50 70.30 3hu5 s THR 86 CO 0.00 -0.89 1.95 -0.65 -0.54 0.00 0.00 174.62 174.49 3hu5 h PRO 87 N -0.33 0.15 0.00 3.99 0.11 -1.96 -1.14 132.00 132.81 3hu5 h PRO 87 Ca -0.45 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 3hu5 h PRO 87 Cb 1.22 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3hu5 h PRO 87 CO 0.62 0.30 -0.13 0.78 -0.21 0.00 0.00 178.00 179.36 3hu5 h GLY 88 N 0.66 0.00 1.81 -0.55 0.00 -1.93 -2.53 103.07 100.53 3hu5 h GLY 88 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3hu5 h GLY 88 CO 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 176.54 176.44 3hu5 n ALA 89 N -2.25 2.48 -1.77 3.60 0.00 -0.45 -1.01 120.51 121.11 3hu5 n ALA 89 Ca -0.01 -0.10 -0.40 0.00 0.00 0.00 0.00 53.44 52.92 3hu5 n ALA 89 Cb 0.28 -1.40 -0.01 0.00 0.00 0.00 0.00 19.45 18.31 3hu5 n ALA 89 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3hu5 s GLU 90 N -3.07 4.11 0.24 0.00 2.02 -0.95 -4.76 118.70 116.28 3hu5 s GLU 90 Ca 0.11 2.22 -0.31 0.00 0.02 0.00 0.00 54.97 57.01 3hu5 s GLU 90 Cb 0.15 -2.88 -0.13 0.00 0.10 0.00 0.00 34.13 31.37 3hu5 s GLU 90 CO 0.60 -0.40 1.50 -0.89 0.02 0.00 0.00 175.26 176.09 3hu5 n ILE 91 N 0.38 0.78 -1.67 -1.63 5.41 -1.26 -1.05 119.36 120.32 3hu5 n ILE 91 Ca 0.02 -0.20 -0.41 0.00 1.00 0.00 0.00 62.75 63.17 3hu5 n ILE 91 Cb 0.42 -1.65 0.01 0.00 -0.71 0.00 0.00 39.64 37.72 3hu5 n ILE 91 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 3hu5 n VAL 92 N 2.30 2.64 -1.66 1.39 0.24 -1.26 -4.79 118.33 117.19 3hu5 n VAL 92 Ca 0.12 -0.50 -0.44 0.00 -2.04 0.00 0.00 64.34 61.48 3hu5 n VAL 92 Cb 0.33 -1.44 -0.02 0.00 -1.47 0.00 0.00 33.84 31.24 3hu5 n VAL 92 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hu5 n ALA 93 N -0.39 0.84 0.00 2.33 0.00 -1.26 -1.77 120.51 120.26 3hu5 n ALA 93 Ca 0.08 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.90 3hu5 n ALA 93 Cb 0.40 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.65 3hu5 n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hu5 n GLY 94 N 1.31 2.96 0.77 0.00 0.00 -1.26 -4.87 105.19 104.10 3hu5 n GLY 94 Ca 0.08 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.15 3hu5 n GLY 94 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hu5 n LEU 95 N 0.00 1.84 -4.77 0.99 4.77 -0.73 -4.82 117.00 114.29 3hu5 n LEU 95 Ca 0.00 -2.88 -0.39 0.00 -0.03 0.00 0.00 56.01 52.70 3hu5 n LEU 95 Cb 0.00 -0.30 0.01 0.00 -2.33 0.00 0.00 43.42 40.80 3hu5 n LEU 95 CO 0.00 0.90 0.98 -1.61 -1.33 0.00 0.00 177.39 176.33 3hu5 s GLU 96 N -1.86 3.80 0.63 3.23 8.01 -1.25 -4.89 118.70 126.36 3hu5 s GLU 96 Ca 0.32 2.20 -0.16 0.00 0.01 0.00 0.00 54.97 57.33 3hu5 s GLU 96 Cb 0.32 -2.65 -0.01 0.00 -4.31 0.00 0.00 34.13 27.47 3hu5 s GLU 96 CO -0.07 -0.65 1.13 -2.14 0.01 0.00 0.00 175.26 173.53 3hu5 s PRO 97 N -2.40 2.88 0.22 0.39 0.02 -1.26 -5.03 135.00 129.82 3hu5 s PRO 97 Ca 0.60 1.50 0.05 0.00 0.02 0.00 0.00 61.00 63.17 3hu5 s PRO 97 Cb -0.39 -1.95 -0.03 0.00 0.02 0.00 0.00 34.50 32.15 3hu5 s PRO 97 CO 0.50 -1.21 0.32 0.00 -0.33 0.00 0.00 177.00 176.27 3hu5 s ALA 98 N -2.13 3.88 0.14 -1.55 0.00 -1.26 -5.03 121.76 115.80 3hu5 s ALA 98 Ca 0.70 -1.22 -0.34 0.00 0.00 0.00 0.00 51.96 51.10 3hu5 s ALA 98 Cb -0.23 -1.67 -0.17 0.00 0.00 0.00 0.00 23.12 21.06 3hu5 s ALA 98 CO 0.38 0.30 1.06 0.45 0.00 0.00 0.00 175.76 177.95 3hu5 n SER 99 N -1.19 0.68 0.00 0.00 2.88 -1.26 -1.49 113.62 113.24 3hu5 n SER 99 Ca -0.08 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.60 3hu5 n SER 99 Cb 0.57 -1.11 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 3hu5 n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hu5 n GLY 100 N 1.92 3.30 3.86 0.46 0.00 -1.26 -5.05 105.19 108.42 3hu5 n GLY 100 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 3hu5 n GLY 100 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hu5 s GLU 101 N -0.75 3.81 0.05 1.61 2.02 -0.56 -4.97 118.70 119.92 3hu5 s GLU 101 Ca 0.00 0.76 -0.15 0.00 0.02 0.00 0.00 54.97 55.60 3hu5 s GLU 101 Cb 0.00 -2.20 -0.06 0.00 0.10 0.00 0.00 34.13 31.97 3hu5 s GLU 101 CO 0.00 -0.27 0.46 0.99 0.02 0.00 0.00 175.26 176.46 3hu5 s THR 102 N -2.69 4.95 -0.21 3.63 2.01 -0.39 -4.94 115.64 118.02 3hu5 s THR 102 Ca 0.56 0.86 -0.03 0.00 0.31 0.00 0.00 61.69 63.39 3hu5 s THR 102 Cb -0.10 -3.74 -0.00 0.00 0.01 0.00 0.00 72.50 68.66 3hu5 s THR 102 CO 0.37 0.48 -0.08 -0.69 -0.69 0.00 0.00 174.62 174.00 3hu5 s VAL 103 N -1.20 3.06 -0.13 3.82 1.01 -1.26 -0.63 120.40 125.08 3hu5 s VAL 103 Ca 0.28 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.69 3hu5 s VAL 103 Cb -0.17 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.85 3hu5 s VAL 103 CO 0.16 0.46 -0.20 -0.22 0.00 0.00 0.00 175.10 175.29 3hu5 s LEU 104 N 1.37 2.24 -0.15 3.92 2.96 -0.09 -4.96 118.68 123.97 3hu5 s LEU 104 Ca 0.05 -0.53 -0.14 0.00 -0.22 0.00 0.00 54.13 53.28 3hu5 s LEU 104 Cb -0.14 -1.47 -0.05 0.00 0.50 0.00 0.00 46.19 45.03 3hu5 s LEU 104 CO -0.05 0.12 0.31 -0.69 -1.32 0.00 0.00 176.35 174.72 3hu5 s VAL 105 N 0.61 5.29 0.24 1.68 1.01 -1.26 -1.18 120.40 126.79 3hu5 s VAL 105 Ca -0.11 0.60 0.11 0.00 0.00 0.00 0.00 61.98 62.58 3hu5 s VAL 105 Cb -0.16 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 3hu5 s VAL 105 CO 0.03 0.39 -0.20 -1.59 0.00 0.00 0.00 175.10 173.73 3hu5 s LYS 106 N 0.41 1.58 0.00 2.72 -2.85 -0.10 -4.91 119.74 116.59 3hu5 s LYS 106 Ca 0.18 -1.67 0.07 0.00 -1.00 0.00 0.00 55.97 53.55 3hu5 s LYS 106 Cb -0.13 -1.70 -0.04 0.00 -2.06 0.00 0.00 37.83 33.90 3hu5 s LYS 106 CO 0.05 0.33 0.42 0.25 0.10 0.00 0.00 175.35 176.50 3hu5 n THR 107 N -0.32 0.00 -4.33 3.79 -2.24 -1.26 -4.28 114.28 105.64 3hu5 n THR 107 Ca -0.08 -0.38 -0.21 0.00 -2.27 0.00 0.00 64.05 61.11 3hu5 n THR 107 Cb 0.59 1.05 -0.08 0.00 -2.10 0.00 0.00 70.33 69.79 3hu5 n THR 107 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3hu5 s ARG 108 N -1.36 1.81 0.13 -0.78 1.81 -1.26 -4.45 118.95 114.84 3hu5 s ARG 108 Ca 0.04 -2.07 -0.19 0.00 -1.72 0.00 0.00 55.73 51.80 3hu5 s ARG 108 Cb 0.06 0.17 -0.02 0.00 -0.45 0.00 0.00 34.95 34.71 3hu5 s ARG 108 CO 0.23 -0.64 1.72 0.74 -0.68 0.00 0.00 175.30 176.67 3hu5 h PHE 109 N 2.05 -0.02 -3.79 -0.53 0.04 -1.95 -3.41 116.94 109.33 3hu5 h PHE 109 Ca -0.26 0.02 -0.50 0.00 2.80 0.00 0.00 57.97 60.03 3hu5 h PHE 109 Cb 1.24 0.04 -0.00 0.00 2.20 0.00 0.00 35.95 39.43 3hu5 h PHE 109 CO 1.74 -0.04 0.41 0.45 -0.60 0.00 0.00 178.31 180.28 3hu5 s SER 110 N -5.24 7.42 0.36 2.17 0.15 -1.26 -4.23 113.70 113.07 3hu5 s SER 110 Ca -0.13 2.10 0.27 0.00 0.70 0.00 0.00 55.95 58.88 3hu5 s SER 110 Cb 0.10 -2.62 1.24 0.00 -1.71 0.00 0.00 66.02 63.04 3hu5 s SER 110 CO 0.69 -0.02 1.80 0.00 1.20 0.00 0.00 173.24 176.91 3hu5 h ALA 111 N 3.87 1.00 -1.79 5.45 0.00 -1.83 -3.46 119.26 122.50 3hu5 h ALA 111 Ca -0.46 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 53.79 3hu5 h ALA 111 Cb 1.21 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.83 3hu5 h ALA 111 CO 0.67 0.00 0.62 -0.06 0.00 0.00 0.00 179.25 180.48 3hu5 s PHE 112 N -3.52 2.89 0.00 0.00 0.08 -1.26 -4.47 117.98 111.70 3hu5 s PHE 112 Ca 0.01 -0.95 0.00 0.00 0.12 0.00 0.00 56.93 56.11 3hu5 s PHE 112 Cb 0.09 -4.26 0.00 0.00 -0.57 0.00 0.00 43.02 38.28 3hu5 s PHE 112 CO 0.36 -1.55 0.00 0.41 -0.10 0.00 0.00 175.22 174.34 3hu5 n GLY 114 N 5.40 0.00 3.37 4.36 0.00 -1.26 -4.77 105.19 112.29 3hu5 n GLY 114 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 3hu5 n GLY 114 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hu5 s THR 115 N 0.00 0.72 -1.21 2.61 -4.23 -1.26 -4.95 115.64 107.32 3hu5 s THR 115 Ca 0.00 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.61 3hu5 s THR 115 Cb 0.00 -2.65 0.40 0.00 1.34 0.00 0.00 72.50 71.59 3hu5 s THR 115 CO 0.00 0.00 1.22 -1.84 -0.54 0.00 0.00 174.62 173.46 3hu5 n GLU 116 N -0.56 2.59 -0.11 3.99 0.00 -1.26 -4.65 120.64 120.64 3hu5 n GLU 116 Ca -0.01 -1.58 -0.05 0.00 0.00 0.00 0.00 57.16 55.52 3hu5 n GLU 116 Cb 0.66 -1.65 0.01 0.00 0.00 0.00 0.00 31.44 30.46 3hu5 n GLU 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3hu5 n ASP 118 N -5.33 0.33 0.00 0.00 2.03 -1.26 -0.98 116.55 111.34 3hu5 n ASP 118 Ca 0.02 -0.33 0.00 0.00 0.52 0.00 0.00 54.79 55.00 3hu5 n ASP 118 Cb 0.24 -0.06 0.00 0.00 -0.72 0.00 0.00 41.12 40.58 3hu5 n ASP 118 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3hu5 n LEU 120 N 1.09 0.00 -0.21 -2.67 4.77 -0.51 -1.42 117.00 118.05 3hu5 n LEU 120 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 3hu5 n LEU 120 Cb 0.05 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.22 3hu5 n LEU 120 CO 0.00 0.00 0.91 -0.07 -1.33 0.00 0.00 177.39 176.90 3hu5 h LEU 121 N 0.00 0.99 -0.64 2.23 3.38 -1.33 -2.67 115.31 117.28 3hu5 h LEU 121 Ca 0.00 -0.23 -0.14 0.00 0.09 0.00 0.00 57.88 57.60 3hu5 h LEU 121 Cb 0.00 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3hu5 h LEU 121 CO 0.00 0.99 -0.42 0.08 0.09 0.00 0.00 178.44 179.17 3hu5 h ARG 122 N 0.98 0.58 -0.91 1.13 0.11 -1.50 -1.36 114.38 113.41 3hu5 h ARG 122 Ca 0.20 -0.31 0.04 0.00 0.10 0.00 0.00 59.98 60.01 3hu5 h ARG 122 Cb 0.42 0.01 -0.05 0.00 1.11 0.00 0.00 29.97 31.46 3hu5 h ARG 122 CO 0.01 0.90 0.59 -0.09 0.10 0.00 0.00 179.97 181.48 3hu5 h ARG 123 N 0.48 1.09 0.00 0.08 9.65 -1.76 -0.95 114.38 122.97 3hu5 h ARG 123 Ca 0.04 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 3hu5 h ARG 123 Cb 0.94 -0.25 0.00 0.00 -1.39 0.00 0.00 29.97 29.27 3hu5 h ARG 123 CO 0.08 0.72 0.00 -2.13 2.80 0.00 0.00 179.97 181.45 3hu5 n ARG 124 N -4.45 0.18 -1.37 0.20 3.00 -1.02 -4.92 116.66 108.29 3hu5 n ARG 124 Ca 0.12 0.15 -0.03 0.00 -0.00 0.00 0.00 57.85 58.09 3hu5 n ARG 124 Cb 0.11 -1.71 -0.01 0.00 0.00 0.00 0.00 32.46 30.85 3hu5 n ARG 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3hu5 n GLY 125 N 1.35 0.51 3.75 5.14 0.00 -0.36 -4.99 105.19 110.58 3hu5 n GLY 125 Ca 0.06 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 3hu5 n GLY 125 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hu5 s VAL 126 N -2.13 2.42 0.00 1.61 1.01 -0.57 -4.64 120.40 118.10 3hu5 s VAL 126 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.33 3hu5 s VAL 126 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.16 3hu5 s VAL 126 CO 0.00 0.05 0.17 -0.90 0.00 0.00 0.00 175.10 174.42 3hu5 n ASP 127 N 2.38 0.34 -3.80 3.32 5.68 0.15 -4.81 116.55 119.82 3hu5 n ASP 127 Ca 0.08 -0.66 -0.22 0.00 -0.50 0.00 0.00 54.79 53.49 3hu5 n ASP 127 Cb 0.39 0.49 -0.17 0.00 -1.14 0.00 0.00 41.12 40.69 3hu5 n ASP 127 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3hu5 s THR 128 N -0.49 0.41 -0.18 2.12 2.01 -1.01 -1.20 115.64 117.30 3hu5 s THR 128 Ca 0.00 0.07 -0.02 0.00 0.31 0.00 0.00 61.69 62.05 3hu5 s THR 128 Cb 0.00 -0.54 -0.01 0.00 0.01 0.00 0.00 72.50 71.96 3hu5 s THR 128 CO 0.00 0.25 -0.09 -0.22 -0.69 0.00 0.00 174.62 173.87 3hu5 s LEU 129 N 1.75 2.78 -0.14 4.42 2.96 0.05 -0.71 118.68 129.79 3hu5 s LEU 129 Ca 0.02 -0.37 -0.11 0.00 -0.22 0.00 0.00 54.13 53.45 3hu5 s LEU 129 Cb -0.13 -1.67 -0.05 0.00 0.50 0.00 0.00 46.19 44.85 3hu5 s LEU 129 CO -0.04 0.06 0.21 -0.76 -1.32 0.00 0.00 176.35 174.50 3hu5 s LEU 130 N 0.98 4.30 -0.13 -0.68 1.43 0.51 -0.96 118.68 124.13 3hu5 s LEU 130 Ca -0.01 0.46 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 3hu5 s LEU 130 Cb -0.15 -2.22 -0.01 0.00 0.03 0.00 0.00 46.19 43.84 3hu5 s LEU 130 CO -0.01 0.24 -0.15 -0.69 0.23 0.00 0.00 176.35 175.98 3hu5 s VAL 131 N -0.18 2.89 0.07 -1.59 1.01 -0.21 -0.56 120.40 121.83 3hu5 s VAL 131 Ca 0.14 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.34 3hu5 s VAL 131 Cb -0.12 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 3hu5 s VAL 131 CO 0.03 0.53 0.13 -0.94 0.00 0.00 0.00 175.10 174.85 3hu5 s SER 132 N 0.38 0.20 0.00 3.32 1.04 -0.58 -1.78 113.70 116.29 3hu5 s SER 132 Ca -0.12 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.62 3hu5 s SER 132 Cb -0.16 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.25 3hu5 s SER 132 CO 0.06 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.23 3hu5 n GLY 133 N 0.15 0.21 3.19 7.32 0.00 0.05 -0.67 105.19 115.44 3hu5 n GLY 133 Ca -0.16 -1.77 -0.12 0.00 0.00 0.00 0.00 46.02 43.97 3hu5 n GLY 133 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hu5 s THR 134 N -1.04 0.07 0.18 2.61 -1.32 -0.12 -2.40 115.64 113.62 3hu5 s THR 134 Ca 0.00 -0.60 0.11 0.00 -1.21 0.00 0.00 61.69 59.99 3hu5 s THR 134 Cb 0.00 -0.60 -0.04 0.00 -1.51 0.00 0.00 72.50 70.35 3hu5 s THR 134 CO 0.00 -0.33 -0.21 0.00 -2.21 0.00 0.00 174.62 171.87 3hu5 s GLN 135 N -1.53 1.63 0.16 7.08 -2.07 -1.26 -4.46 119.66 119.21 3hu5 s GLN 135 Ca -0.13 -1.45 -0.16 0.00 -1.82 0.00 0.00 55.36 51.80 3hu5 s GLN 135 Cb -0.05 -1.92 0.13 0.00 -1.09 0.00 0.00 33.01 30.07 3hu5 s GLN 135 CO 0.02 0.41 1.19 0.66 -1.32 0.00 0.00 175.29 176.25 3hu5 n TYR 136 N 0.28 -0.06 1.02 9.60 4.02 0.91 -1.82 117.16 131.10 3hu5 n TYR 136 Ca -0.13 0.95 0.14 0.00 -0.01 0.00 0.00 57.90 58.85 3hu5 n TYR 136 Cb 0.56 -0.73 0.55 0.00 -0.02 0.00 0.00 39.34 39.69 3hu5 n TYR 136 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3hu5 n PRO 137 N -5.09 0.02 0.00 -0.72 -0.04 -1.26 -1.32 135.00 126.59 3hu5 n PRO 137 Ca 0.06 -0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 3hu5 n PRO 137 Cb 0.28 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 3hu5 n PRO 137 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3hu5 n ASN 138 N -1.49 0.00 0.05 3.54 3.02 -0.76 -4.59 115.26 115.04 3hu5 n ASN 138 Ca 0.07 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.61 3hu5 n ASN 138 Cb 0.34 0.00 0.26 0.00 -0.61 0.00 0.00 39.78 39.76 3hu5 n ASN 138 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hu5 h ILE 140 N 0.34 0.00 -0.62 0.00 1.08 -1.57 -1.54 117.51 115.20 3hu5 h ILE 140 Ca 0.05 -0.29 -0.04 0.00 -0.39 0.00 0.00 64.86 64.20 3hu5 h ILE 140 Cb 0.60 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.33 3hu5 h ILE 140 CO 0.04 0.00 0.24 -0.09 -0.69 0.00 0.00 178.15 177.66 3hu5 h ARG 141 N -1.18 0.93 -0.87 2.37 2.43 -1.23 0.30 114.38 117.13 3hu5 h ARG 141 Ca -0.09 -0.17 0.01 0.00 -0.81 0.00 0.00 59.98 58.91 3hu5 h ARG 141 Cb 0.69 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.04 3hu5 h ARG 141 CO 0.15 0.79 0.57 0.78 -1.51 0.00 0.00 179.97 180.75 3hu5 h GLY 142 N 0.87 1.23 1.19 2.80 0.00 -0.95 0.56 103.07 108.77 3hu5 h GLY 142 Ca 0.21 -0.47 -0.23 0.00 0.00 0.00 0.00 47.33 46.84 3hu5 h GLY 142 CO -0.02 0.46 -0.84 -0.84 0.00 0.00 0.00 176.54 175.30 3hu5 h THR 143 N 1.18 1.28 -0.23 4.70 2.02 -1.09 -2.34 112.91 118.43 3hu5 h THR 143 Ca 0.32 -2.03 -0.02 0.00 0.77 0.00 0.00 66.41 65.45 3hu5 h THR 143 Cb -0.13 2.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 3hu5 h THR 143 CO -0.07 0.64 0.08 0.00 0.37 0.00 0.00 175.52 176.55 3hu5 h ALA 144 N 0.52 0.30 -0.77 6.16 0.00 -0.74 -0.51 119.26 124.23 3hu5 h ALA 144 Ca -0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3hu5 h ALA 144 Cb 1.47 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 3hu5 h ALA 144 CO 0.17 -0.09 0.35 0.28 0.00 0.00 0.00 179.25 179.96 3hu5 h VAL 145 N 0.22 1.25 -0.39 0.00 2.07 -0.94 -0.78 116.25 117.67 3hu5 h VAL 145 Ca 0.08 -0.73 -0.08 0.00 0.82 0.00 0.00 66.70 66.78 3hu5 h VAL 145 Cb 0.20 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 3hu5 h VAL 145 CO -0.00 0.31 -0.08 0.44 0.02 0.00 0.00 177.57 178.25 3hu5 h ASP 146 N 1.09 0.74 -0.62 0.57 5.19 -1.30 -0.72 116.42 121.37 3hu5 h ASP 146 Ca 0.26 -0.35 0.01 0.00 -0.62 0.00 0.00 57.03 56.33 3hu5 h ASP 146 Cb 0.16 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.43 3hu5 h ASP 146 CO -0.03 0.92 0.40 0.00 -3.12 0.00 0.00 179.24 177.41 3hu5 h ALA 147 N 0.84 0.79 -0.76 3.45 0.00 -0.83 -1.63 119.26 121.13 3hu5 h ALA 147 Ca 0.10 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3hu5 h ALA 147 Cb 0.59 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 3hu5 h ALA 147 CO 0.04 0.18 0.45 0.35 0.00 0.00 0.00 179.25 180.27 3hu5 h PHE 148 N 0.81 0.82 -0.09 0.00 3.57 -0.91 -1.74 116.94 119.41 3hu5 h PHE 148 Ca 0.23 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 3hu5 h PHE 148 Cb -0.06 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.42 3hu5 h PHE 148 CO -0.04 0.41 -0.11 0.00 -2.23 0.00 0.00 178.31 176.34 3hu5 h ALA 149 N 1.37 1.66 -0.23 2.41 0.00 -0.70 -2.21 119.26 121.57 3hu5 h ALA 149 Ca 0.33 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3hu5 h ALA 149 Cb 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3hu5 h ALA 149 CO -0.18 0.25 0.00 1.28 0.00 0.00 0.00 179.25 180.60 3hu5 n LEU 150 N -4.34 1.27 -0.02 0.00 4.77 -0.65 -4.92 117.00 113.11 3hu5 n LEU 150 Ca -0.01 -0.64 -0.00 0.00 -0.03 0.00 0.00 56.01 55.32 3hu5 n LEU 150 Cb 0.22 -0.17 -0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3hu5 n LEU 150 CO 0.37 0.31 -0.00 0.47 -1.33 0.00 0.00 177.39 177.21 3hu5 n ASP 151 N 0.18 -3.23 -4.77 -1.43 9.92 -0.83 -5.02 116.55 111.37 3hu5 n ASP 151 Ca 0.08 0.01 -0.38 0.00 -0.53 0.00 0.00 54.79 53.96 3hu5 n ASP 151 Cb 0.20 -0.76 -0.02 0.00 -0.64 0.00 0.00 41.12 39.90 3hu5 n ASP 151 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 3hu5 s TYR 152 N -1.94 3.11 -0.08 1.24 2.02 -0.72 -5.01 117.35 115.96 3hu5 s TYR 152 Ca 0.00 1.57 -0.30 0.00 -0.37 0.00 0.00 57.07 57.97 3hu5 s TYR 152 Cb 0.00 -3.37 -0.02 0.00 -0.40 0.00 0.00 41.96 38.17 3hu5 s TYR 152 CO 0.00 -1.22 1.14 -0.51 -1.57 0.00 0.00 175.55 173.39 3hu5 s ASP 153 N -1.16 7.11 -0.09 2.29 1.01 -0.34 -4.35 116.67 121.15 3hu5 s ASP 153 Ca 0.56 1.71 0.03 0.00 0.71 0.00 0.00 52.55 55.56 3hu5 s ASP 153 Cb -0.30 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.06 3hu5 s ASP 153 CO 0.38 -0.55 -0.18 -0.69 0.21 0.00 0.00 175.17 174.34 3hu5 s VAL 154 N 2.23 2.69 -0.17 -1.27 1.01 -1.26 -0.77 120.40 122.86 3hu5 s VAL 154 Ca 0.53 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.69 3hu5 s VAL 154 Cb -0.22 -2.07 0.04 0.00 0.00 0.00 0.00 36.38 34.13 3hu5 s VAL 154 CO 0.20 0.56 -0.06 -0.69 0.00 0.00 0.00 175.10 175.11 3hu5 s VAL 155 N -0.07 1.16 -0.21 2.92 1.01 -0.14 -2.49 120.40 122.60 3hu5 s VAL 155 Ca -0.04 -0.65 -0.23 0.00 0.00 0.00 0.00 61.98 61.06 3hu5 s VAL 155 Cb -0.14 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 3hu5 s VAL 155 CO 0.04 0.15 0.76 -0.69 0.00 0.00 0.00 175.10 175.36 3hu5 s VAL 156 N 1.61 4.92 -0.54 2.92 1.01 0.50 -1.04 120.40 129.77 3hu5 s VAL 156 Ca 0.01 1.44 -0.23 0.00 0.00 0.00 0.00 61.98 63.20 3hu5 s VAL 156 Cb -0.15 -4.06 0.05 0.00 0.00 0.00 0.00 36.38 32.22 3hu5 s VAL 156 CO -0.08 0.02 0.87 -0.69 0.00 0.00 0.00 175.10 175.22 3hu5 s VAL 157 N 2.32 4.50 0.18 2.92 1.01 -0.73 -1.70 120.40 128.90 3hu5 s VAL 157 Ca 0.33 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.42 3hu5 s VAL 157 Cb -0.16 -4.49 -0.12 0.00 0.00 0.00 0.00 36.38 31.61 3hu5 s VAL 157 CO 0.10 -1.05 1.42 0.71 0.00 0.00 0.00 175.10 176.28 3hu5 h THR 158 N 5.98 1.45 -0.06 3.92 1.35 -1.24 -0.62 112.91 123.69 3hu5 h THR 158 Ca -0.26 -2.41 0.00 0.00 -0.55 0.00 0.00 66.41 63.19 3hu5 h THR 158 Cb 1.08 2.32 0.00 0.00 -1.73 0.00 0.00 68.15 69.82 3hu5 h THR 158 CO 1.06 0.71 0.00 -0.90 -0.25 0.00 0.00 175.52 176.14 3hu5 n ASP 159 N -3.73 0.69 -0.89 5.36 5.75 -1.26 -3.07 116.55 119.39 3hu5 n ASP 159 Ca -0.04 -1.50 0.09 0.00 -0.01 0.00 0.00 54.79 53.33 3hu5 n ASP 159 Cb 0.76 -0.04 0.18 0.00 -1.03 0.00 0.00 41.12 40.98 3hu5 n ASP 159 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hu5 n ALA 160 N -0.35 2.35 -2.41 2.12 0.00 -0.26 -4.72 120.51 117.24 3hu5 n ALA 160 Ca 0.16 -1.00 -0.21 0.00 0.00 0.00 0.00 53.44 52.39 3hu5 n ALA 160 Cb 0.18 -0.65 -0.11 0.00 0.00 0.00 0.00 19.45 18.88 3hu5 n ALA 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hu5 s SER 162 N -3.06 0.47 0.32 0.00 1.04 -1.01 -4.95 113.70 106.52 3hu5 s SER 162 Ca 0.21 -0.98 0.03 0.00 0.48 0.00 0.00 55.95 55.69 3hu5 s SER 162 Cb -0.04 0.20 -0.04 0.00 0.10 0.00 0.00 66.02 66.24 3hu5 s SER 162 CO 0.08 -0.60 0.13 0.00 0.98 0.00 0.00 173.24 173.84 3hu5 s ALA 163 N -3.85 2.17 0.44 5.32 0.00 -1.26 -0.06 121.76 124.51 3hu5 s ALA 163 Ca 0.06 -1.71 0.17 0.00 0.00 0.00 0.00 51.96 50.49 3hu5 s ALA 163 Cb 0.07 1.00 1.10 0.00 0.00 0.00 0.00 23.12 25.29 3hu5 s ALA 163 CO -0.10 -0.44 2.00 0.00 0.00 0.00 0.00 175.76 177.22 3hu5 h ARG 164 N 2.14 0.00 -4.01 0.00 3.08 -1.95 -2.04 114.38 111.60 3hu5 h ARG 164 Ca -0.35 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.59 3hu5 h ARG 164 Cb 1.25 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.16 3hu5 h ARG 164 CO 0.56 0.18 -0.53 0.95 -1.07 0.00 0.00 179.97 180.06 3hu5 s THR 165 N -4.51 0.18 0.38 2.04 -4.23 -1.26 -4.49 115.64 103.76 3hu5 s THR 165 Ca -0.04 -1.46 0.13 0.00 -1.18 0.00 0.00 61.69 59.14 3hu5 s THR 165 Cb 0.15 -1.38 0.11 0.00 1.34 0.00 0.00 72.50 72.72 3hu5 s THR 165 CO 0.67 -0.81 1.86 -0.65 -0.54 0.00 0.00 174.62 175.15 3hu5 h PRO 166 N 3.02 0.02 -0.64 3.99 0.11 -2.00 -2.58 132.00 133.92 3hu5 h PRO 166 Ca -0.34 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.70 3hu5 h PRO 166 Cb 1.17 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 3hu5 h PRO 166 CO 0.60 0.34 0.15 0.78 -0.21 0.00 0.00 178.00 179.66 3hu5 h GLY 167 N 0.98 1.09 1.67 -0.55 0.00 -1.99 0.62 103.07 104.90 3hu5 h GLY 167 Ca 0.00 -0.67 -0.14 0.00 0.00 0.00 0.00 47.33 46.52 3hu5 h GLY 167 CO 0.04 0.62 -0.54 -2.08 0.00 0.00 0.00 176.54 174.58 3hu5 h VAL 168 N 0.96 1.35 -0.20 4.60 2.07 -1.91 -1.69 116.25 121.42 3hu5 h VAL 168 Ca 0.20 -1.82 -0.03 0.00 0.82 0.00 0.00 66.70 65.87 3hu5 h VAL 168 Cb 0.36 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 3hu5 h VAL 168 CO 0.00 0.55 0.02 0.00 0.02 0.00 0.00 177.57 178.17 3hu5 h ALA 169 N 1.16 0.27 -0.67 1.67 0.00 -1.07 -2.16 119.26 118.45 3hu5 h ALA 169 Ca 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3hu5 h ALA 169 Cb 1.04 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 3hu5 h ALA 169 CO 0.09 -0.04 0.34 0.93 0.00 0.00 0.00 179.25 180.57 3hu5 h GLU 170 N 0.13 0.96 -0.26 0.00 5.08 -0.68 -0.83 114.58 118.97 3hu5 h GLU 170 Ca 0.06 -0.13 -0.16 0.00 -1.00 0.00 0.00 59.36 58.13 3hu5 h GLU 170 Cb 0.34 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3hu5 h GLU 170 CO 0.01 0.74 -0.49 0.66 -1.00 0.00 0.00 179.01 178.93 3hu5 h SER 171 N 0.93 0.79 -0.64 1.42 4.64 -1.21 -0.04 113.55 119.43 3hu5 h SER 171 Ca 0.23 -0.40 -0.02 0.00 -0.47 0.00 0.00 61.79 61.13 3hu5 h SER 171 Cb 0.08 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 61.92 3hu5 h SER 171 CO -0.03 1.15 0.31 0.78 -0.87 0.00 0.00 176.83 178.17 3hu5 h ASN 172 N 0.57 0.83 -0.42 4.97 2.35 -1.21 -0.98 115.58 121.70 3hu5 h ASN 172 Ca 0.03 -0.13 0.01 0.00 -0.55 0.00 0.00 56.30 55.66 3hu5 h ASN 172 Cb 1.05 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 39.19 3hu5 h ASN 172 CO 0.10 0.72 0.26 0.40 -1.65 0.00 0.00 177.43 177.27 3hu5 h ILE 173 N 0.88 1.07 -0.99 2.81 2.04 -0.98 -2.74 117.51 119.60 3hu5 h ILE 173 Ca 0.22 -0.18 0.01 0.00 1.00 0.00 0.00 64.86 65.91 3hu5 h ILE 173 Cb 0.11 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 36.64 3hu5 h ILE 173 CO -0.03 0.10 0.66 0.78 0.00 0.00 0.00 178.15 179.66 3hu5 h ASN 174 N 0.53 1.14 0.00 1.72 2.35 -0.76 -0.42 115.58 120.14 3hu5 h ASN 174 Ca 0.16 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3hu5 h ASN 174 Cb -0.02 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.06 3hu5 h ASN 174 CO -0.06 0.82 0.00 0.47 -1.65 0.00 0.00 177.43 177.02 3hu5 n ASP 175 N -4.39 0.90 0.00 5.81 8.00 -0.39 -1.75 116.55 124.72 3hu5 n ASP 175 Ca 0.12 -0.78 0.00 0.00 0.71 0.00 0.00 54.79 54.83 3hu5 n ASP 175 Cb 0.01 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 3hu5 n ASP 175 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3hu5 n ARG 177 N 0.63 0.00 -0.15 -1.24 1.74 -0.17 -4.80 116.66 112.67 3hu5 n ARG 177 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3hu5 n ARG 177 Cb 0.16 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.60 3hu5 n ARG 177 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hu5 n ALA 178 N 0.00 2.23 -1.16 7.54 0.00 -0.72 -4.03 120.51 124.37 3hu5 n ALA 178 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hu5 n ALA 178 Cb 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 19.45 17.76 3hu5 n ALA 178 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hu5 n GLY 180 N 1.84 -1.54 3.77 0.00 0.00 -1.26 -5.22 105.19 102.77 3hu5 n GLY 180 Ca 0.00 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 3hu5 n GLY 180 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hu5 s ILE 181 N -0.15 4.71 0.01 -0.61 1.01 -1.26 -4.96 121.20 119.96 3hu5 s ILE 181 Ca 0.01 1.46 -0.28 0.00 0.00 0.00 0.00 60.65 61.85 3hu5 s ILE 181 Cb 0.01 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 3hu5 s ILE 181 CO 0.00 0.45 0.87 -0.89 0.00 0.00 0.00 174.94 175.37 3hu5 s THR 182 N -0.50 4.83 -0.21 2.92 2.01 -1.04 -3.83 115.64 119.82 3hu5 s THR 182 Ca 0.34 1.84 -0.01 0.00 0.31 0.00 0.00 61.69 64.17 3hu5 s THR 182 Cb -0.20 -4.22 0.06 0.00 0.01 0.00 0.00 72.50 68.15 3hu5 s THR 182 CO 0.21 0.24 -0.00 0.00 -0.69 0.00 0.00 174.62 174.38 3hu5 s VAL 184 N 1.66 0.10 0.68 0.00 -7.23 -0.69 -4.90 120.40 110.02 3hu5 s VAL 184 Ca -0.03 -1.06 -0.09 0.00 -1.81 0.00 0.00 61.98 58.99 3hu5 s VAL 184 Cb -0.18 -1.43 0.02 0.00 0.56 0.00 0.00 36.38 35.36 3hu5 s VAL 184 CO -0.07 -0.46 1.03 -2.84 -0.31 0.00 0.00 175.10 172.45 3hu5 s PRO 185 N -3.87 2.73 0.29 4.82 0.02 -1.26 -0.73 135.00 137.00 3hu5 s PRO 185 Ca 0.07 0.21 0.04 0.00 0.02 0.00 0.00 61.00 61.35 3hu5 s PRO 185 Cb 0.03 -2.11 0.69 0.00 0.02 0.00 0.00 34.50 33.13 3hu5 s PRO 185 CO -0.08 -1.00 1.76 1.25 -0.33 0.00 0.00 177.00 178.60 3hu5 h LEU 186 N -0.53 0.66 -2.31 -5.54 5.85 -1.95 -1.12 115.31 110.36 3hu5 h LEU 186 Ca -0.45 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.37 3hu5 h LEU 186 Cb 1.27 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.29 3hu5 h LEU 186 CO 0.63 0.22 0.00 0.71 -0.34 0.00 0.00 178.44 179.66 3hu5 h THR 187 N 0.67 0.00 -0.02 1.05 1.35 -2.02 -2.21 112.91 111.74 3hu5 h THR 187 Ca 0.55 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 66.23 3hu5 h THR 187 Cb 0.87 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 3hu5 h THR 187 CO -0.40 0.00 -0.14 0.00 -0.25 0.00 0.00 175.52 174.73 3hu5 n ALA 188 N -2.06 2.84 -0.10 6.62 0.00 -0.43 -4.50 120.51 122.89 3hu5 n ALA 188 Ca -0.02 -0.51 -0.12 0.00 0.00 0.00 0.00 53.44 52.79 3hu5 n ALA 188 Cb 0.15 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 18.53 3hu5 n ALA 188 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3hu5 h LEU 189 N 2.49 0.69 -0.70 0.00 5.85 -1.41 -2.25 115.31 119.98 3hu5 h LEU 189 Ca 0.00 -0.42 0.08 0.00 0.84 0.00 0.00 57.88 58.37 3hu5 h LEU 189 Cb 0.64 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 3hu5 h LEU 189 CO 0.00 0.96 0.37 0.44 -0.34 0.00 0.00 178.44 179.87 3hu5 h ASP 190 N 0.41 0.51 -0.59 1.25 3.32 -1.79 -0.34 116.42 119.20 3hu5 h ASP 190 Ca 0.06 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 3hu5 h ASP 190 Cb 0.72 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.19 3hu5 h ASP 190 CO 0.05 0.31 0.19 0.44 -1.72 0.00 0.00 179.24 178.51 3hu5 h ASP 191 N 0.65 0.86 -0.58 6.45 3.32 -1.81 -1.53 116.42 123.78 3hu5 h ASP 191 Ca 0.33 -0.21 -0.05 0.00 0.02 0.00 0.00 57.03 57.13 3hu5 h ASP 191 Cb 0.29 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3hu5 h ASP 191 CO -0.23 0.84 0.19 0.58 -1.72 0.00 0.00 179.24 178.89 3hu5 h VAL 192 N 0.84 1.24 0.00 -1.35 2.07 -0.73 -2.99 116.25 115.33 3hu5 h VAL 192 Ca 0.19 -0.81 -0.06 0.00 0.82 0.00 0.00 66.70 66.85 3hu5 h VAL 192 Cb 0.28 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3hu5 h VAL 192 CO -0.01 0.30 -0.28 -0.07 0.02 0.00 0.00 177.57 177.54 3hu5 h LEU 193 N 0.82 0.00 -0.44 2.57 3.38 -0.73 -2.59 115.31 118.32 3hu5 h LEU 193 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3hu5 h LEU 193 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3hu5 h LEU 193 CO -0.01 0.28 0.00 0.00 0.09 0.00 0.00 178.44 178.80 3hu5 h ALA 194 N 1.72 1.00 0.00 1.53 0.00 -1.14 -3.47 119.26 118.90 3hu5 h ALA 194 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hu5 h ALA 194 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3hu5 h ALA 194 CO 0.04 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.83