#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hm3 s GLN 2 N 0.00 1.45 0.19 2.12 -0.21 -1.26 -0.06 119.66 121.88 3hm3 s GLN 2 Ca 0.00 -1.26 0.05 0.00 0.02 0.00 0.00 55.36 54.16 3hm3 s GLN 2 Cb 0.00 -1.84 -0.05 0.00 1.00 0.00 0.00 33.01 32.12 3hm3 s GLN 2 CO 0.00 0.45 -0.08 0.96 -2.12 0.00 0.00 175.29 174.50 3hm3 s ILE 3 N -1.01 1.24 0.02 1.08 -4.36 -0.44 -0.41 121.20 117.32 3hm3 s ILE 3 Ca 0.12 -2.08 0.02 0.00 -0.26 0.00 0.00 60.65 58.45 3hm3 s ILE 3 Cb -0.10 -2.05 -0.04 0.00 1.25 0.00 0.00 42.46 41.52 3hm3 s ILE 3 CO 0.05 -0.58 0.02 -0.36 0.24 0.00 0.00 174.94 174.30 3hm3 s PHE 4 N -3.29 3.09 -0.17 1.37 0.40 -0.35 -1.50 117.98 117.54 3hm3 s PHE 4 Ca 0.22 0.07 0.00 0.00 -0.60 0.00 0.00 56.93 56.62 3hm3 s PHE 4 Cb 0.03 -1.65 0.03 0.00 0.51 0.00 0.00 43.02 41.94 3hm3 s PHE 4 CO 0.04 0.48 -0.11 0.08 0.70 0.00 0.00 175.22 176.41 3hm3 s VAL 5 N -1.16 1.49 -0.06 -0.44 1.01 0.63 -0.90 120.40 120.97 3hm3 s VAL 5 Ca 0.22 -0.74 -0.12 0.00 0.00 0.00 0.00 61.98 61.33 3hm3 s VAL 5 Cb -0.12 -1.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.71 3hm3 s VAL 5 CO 0.13 0.30 0.31 -0.75 0.00 0.00 0.00 175.10 175.09 3hm3 s LYS 6 N 1.49 3.82 0.44 2.72 2.20 0.40 -1.22 119.74 129.60 3hm3 s LYS 6 Ca 0.02 0.20 0.08 0.00 -0.36 0.00 0.00 55.97 55.91 3hm3 s LYS 6 Cb -0.14 -3.24 0.01 0.00 -1.51 0.00 0.00 37.83 32.94 3hm3 s LYS 6 CO -0.09 0.65 0.50 0.95 -0.36 0.00 0.00 175.35 177.00 3hm3 s THR 7 N -0.82 2.68 0.58 3.43 -4.23 -0.58 -0.54 115.64 116.16 3hm3 s THR 7 Ca 0.20 -1.18 0.28 0.00 -1.18 0.00 0.00 61.69 59.81 3hm3 s THR 7 Cb -0.15 -2.85 0.36 0.00 1.34 0.00 0.00 72.50 71.20 3hm3 s THR 7 CO 0.09 0.00 2.10 -0.07 -0.54 0.00 0.00 174.62 176.20 3hm3 h LEU 8 N 0.76 0.00 -0.33 4.79 3.38 -1.90 -1.84 115.31 120.18 3hm3 h LEU 8 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3hm3 h LEU 8 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3hm3 h LEU 8 CO 0.51 0.00 -0.00 0.35 0.09 0.00 0.00 178.44 179.38 3hm3 n THR 9 N -3.89 0.00 -0.07 0.22 -2.24 -1.26 -4.89 114.28 102.14 3hm3 n THR 9 Ca 0.02 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 3hm3 n THR 9 Cb 0.33 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 3hm3 n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hm3 n GLY 10 N 1.07 1.12 3.77 3.38 0.00 -0.69 -5.01 105.19 108.82 3hm3 n GLY 10 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 3hm3 n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hm3 s LYS 11 N -0.60 4.36 -0.06 1.61 2.36 -1.26 -4.80 119.74 121.35 3hm3 s LYS 11 Ca 0.00 1.75 0.05 0.00 -2.55 0.00 0.00 55.97 55.22 3hm3 s LYS 11 Cb 0.00 -2.89 -0.01 0.00 -1.05 0.00 0.00 37.83 33.89 3hm3 s LYS 11 CO 0.00 -0.02 -0.22 0.99 1.55 0.00 0.00 175.35 177.64 3hm3 s THR 12 N -1.36 1.88 0.22 3.43 2.01 -1.26 -1.53 115.64 119.03 3hm3 s THR 12 Ca 0.51 -0.95 0.11 0.00 0.31 0.00 0.00 61.69 61.67 3hm3 s THR 12 Cb -0.29 -1.60 -0.05 0.00 0.01 0.00 0.00 72.50 70.57 3hm3 s THR 12 CO 0.37 0.52 -0.19 0.27 -0.69 0.00 0.00 174.62 174.91 3hm3 s ILE 13 N 0.04 2.61 -0.08 1.82 -4.36 -0.36 -4.95 121.20 115.92 3hm3 s ILE 13 Ca -0.08 -2.06 0.01 0.00 -0.26 0.00 0.00 60.65 58.27 3hm3 s ILE 13 Cb -0.14 -2.30 -0.02 0.00 1.25 0.00 0.00 42.46 41.24 3hm3 s ILE 13 CO 0.05 -0.21 -0.11 -0.89 0.24 0.00 0.00 174.94 174.02 3hm3 s THR 14 N -1.94 3.31 0.04 8.37 2.01 -1.26 -0.26 115.64 125.90 3hm3 s THR 14 Ca 0.25 -0.61 0.07 0.00 0.31 0.00 0.00 61.69 61.70 3hm3 s THR 14 Cb -0.07 -2.35 -0.02 0.00 0.01 0.00 0.00 72.50 70.07 3hm3 s THR 14 CO 0.13 0.57 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.68 3hm3 s LEU 15 N -0.41 2.16 -0.23 4.42 1.43 -0.57 -4.99 118.68 120.50 3hm3 s LEU 15 Ca 0.05 -0.49 -0.14 0.00 -1.03 0.00 0.00 54.13 52.52 3hm3 s LEU 15 Cb -0.12 -0.89 -0.04 0.00 0.03 0.00 0.00 46.19 45.17 3hm3 s LEU 15 CO 0.02 0.14 0.30 -1.61 0.23 0.00 0.00 176.35 175.43 3hm3 s GLU 16 N -1.11 4.11 0.30 1.70 0.41 -1.26 -1.33 118.70 121.53 3hm3 s GLU 16 Ca 0.06 -0.01 0.04 0.00 -0.41 0.00 0.00 54.97 54.66 3hm3 s GLU 16 Cb -0.08 -3.56 -0.03 0.00 -1.78 0.00 0.00 34.13 28.67 3hm3 s GLU 16 CO 0.01 -0.04 0.21 0.14 -0.49 0.00 0.00 175.26 175.09 3hm3 s VAL 17 N 1.33 0.12 0.12 2.63 -7.23 0.91 -5.00 120.40 113.27 3hm3 s VAL 17 Ca 0.14 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.36 3hm3 s VAL 17 Cb -0.14 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 3hm3 s VAL 17 CO 0.07 0.00 -0.12 -1.61 -0.31 0.00 0.00 175.10 173.13 3hm3 s GLU 18 N -3.71 0.97 0.40 4.82 2.02 -1.26 -4.32 118.70 117.62 3hm3 s GLU 18 Ca 0.38 -1.25 0.13 0.00 0.02 0.00 0.00 54.97 54.24 3hm3 s GLU 18 Cb 0.04 -0.72 0.95 0.00 0.10 0.00 0.00 34.13 34.50 3hm3 s GLU 18 CO 0.21 0.12 1.92 -1.35 0.02 0.00 0.00 175.26 176.18 3hm3 h PRO 19 N 3.38 0.51 0.00 0.39 0.11 -1.98 -1.48 132.00 132.93 3hm3 h PRO 19 Ca -0.38 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3hm3 h PRO 19 Cb 1.19 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3hm3 h PRO 19 CO 0.54 0.34 0.00 -1.13 -0.21 0.00 0.00 178.00 177.54 3hm3 n SER 20 N -4.50 0.70 -4.71 -2.05 3.41 -1.26 -0.97 113.62 104.25 3hm3 n SER 20 Ca 0.14 0.64 -0.42 0.00 -0.26 0.00 0.00 58.87 58.96 3hm3 n SER 20 Cb 0.45 -0.80 -0.03 0.00 -0.26 0.00 0.00 64.21 63.57 3hm3 n SER 20 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3hm3 n ASP 21 N -2.24 3.94 -4.81 4.04 10.43 -0.56 -4.73 116.55 122.62 3hm3 n ASP 21 Ca 0.03 1.06 -0.31 0.00 2.57 0.00 0.00 54.79 58.13 3hm3 n ASP 21 Cb 0.28 -1.56 0.05 0.00 1.84 0.00 0.00 41.12 41.74 3hm3 n ASP 21 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 3hm3 s THR 22 N 1.29 3.86 0.32 -3.53 -4.23 -1.26 -1.47 115.64 110.61 3hm3 s THR 22 Ca 0.76 0.64 0.01 0.00 -1.18 0.00 0.00 61.69 61.92 3hm3 s THR 22 Cb -0.52 -3.30 0.28 0.00 1.34 0.00 0.00 72.50 70.30 3hm3 s THR 22 CO 0.33 -0.75 1.95 0.40 -0.54 0.00 0.00 174.62 176.00 3hm3 h ILE 23 N -0.64 1.10 -0.18 2.99 1.08 -0.95 -1.74 117.51 119.17 3hm3 h ILE 23 Ca -0.44 -0.33 -0.05 0.00 -0.39 0.00 0.00 64.86 63.65 3hm3 h ILE 23 Cb 1.22 0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 35.00 3hm3 h ILE 23 CO 0.56 0.18 -0.11 -0.08 -0.69 0.00 0.00 178.15 178.01 3hm3 h GLU 24 N 0.97 0.28 -0.61 2.37 4.57 -1.38 -0.82 114.58 119.95 3hm3 h GLU 24 Ca 0.33 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.47 3hm3 h GLU 24 Cb 0.10 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 3hm3 h GLU 24 CO -0.11 0.39 0.39 -0.91 -1.18 0.00 0.00 179.01 177.60 3hm3 h ASN 25 N 0.26 0.65 -0.59 1.04 -0.26 -1.61 -1.76 115.58 113.31 3hm3 h ASN 25 Ca 0.05 -0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.76 3hm3 h ASN 25 Cb 0.36 -0.15 -0.03 0.00 -1.06 0.00 0.00 38.32 37.44 3hm3 h ASN 25 CO 0.02 0.46 0.27 0.58 -1.06 0.00 0.00 177.43 177.71 3hm3 h VAL 26 N 0.78 1.22 -1.00 2.81 2.07 -0.81 -0.76 116.25 120.56 3hm3 h VAL 26 Ca 0.23 -0.62 0.03 0.00 0.82 0.00 0.00 66.70 67.16 3hm3 h VAL 26 Cb -0.03 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.21 3hm3 h VAL 26 CO -0.08 0.25 0.65 0.11 0.02 0.00 0.00 177.57 178.53 3hm3 h LYS 27 N 0.81 1.26 -0.67 1.57 1.57 -1.05 -0.34 116.57 119.72 3hm3 h LYS 27 Ca 0.20 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 3hm3 h LYS 27 Cb 0.14 -0.28 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 3hm3 h LYS 27 CO -0.02 0.83 0.19 0.00 -0.57 0.00 0.00 179.45 179.88 3hm3 h ALA 28 N 1.39 1.07 -0.25 3.86 0.00 -0.91 0.93 119.26 125.35 3hm3 h ALA 28 Ca 0.39 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3hm3 h ALA 28 Cb -0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3hm3 h ALA 28 CO -0.11 0.63 -0.21 0.87 0.00 0.00 0.00 179.25 180.42 3hm3 h LYS 29 N 1.00 0.45 -0.36 0.00 1.57 -0.37 -0.49 116.57 118.37 3hm3 h LYS 29 Ca 0.22 -0.15 -0.16 0.00 -1.87 0.00 0.00 60.65 58.68 3hm3 h LYS 29 Cb 0.31 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 3hm3 h LYS 29 CO -0.00 0.64 -0.41 0.82 -0.57 0.00 0.00 179.45 179.93 3hm3 h ILE 30 N 0.40 1.27 -0.85 1.86 2.04 -0.68 -1.86 117.51 119.70 3hm3 h ILE 30 Ca 0.07 -1.58 0.02 0.00 1.00 0.00 0.00 64.86 64.36 3hm3 h ILE 30 Cb 0.60 1.43 -0.05 0.00 -0.74 0.00 0.00 36.82 38.06 3hm3 h ILE 30 CO 0.04 0.53 0.56 -0.61 0.00 0.00 0.00 178.15 178.67 3hm3 h GLN 31 N 0.72 1.08 -0.55 2.37 4.15 -0.54 0.21 115.11 122.54 3hm3 h GLN 31 Ca 0.05 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 3hm3 h GLN 31 Cb 1.00 -0.24 -0.03 0.00 0.21 0.00 0.00 27.48 28.42 3hm3 h GLN 31 CO 0.10 0.71 0.28 -0.44 -1.93 0.00 0.00 178.83 177.55 3hm3 h ASP 32 N 1.11 0.70 0.03 -0.69 3.45 -0.83 0.28 116.42 120.47 3hm3 h ASP 32 Ca 0.33 -0.11 -0.12 0.00 0.43 0.00 0.00 57.03 57.56 3hm3 h ASP 32 Cb -0.06 -0.18 0.01 0.00 -0.56 0.00 0.00 39.33 38.54 3hm3 h ASP 32 CO -0.09 0.62 -0.48 0.11 -1.57 0.00 0.00 179.24 177.83 3hm3 h LYS 33 N 0.74 0.27 0.00 3.56 1.57 -1.02 -3.40 116.57 118.29 3hm3 h LYS 33 Ca 0.19 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3hm3 h LYS 33 Cb 0.09 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3hm3 h LYS 33 CO -0.03 1.06 -0.48 0.39 -0.57 0.00 0.00 179.45 179.82 3hm3 n GLU 34 N -4.33 3.71 -1.10 3.15 -0.58 0.70 -5.01 120.64 117.18 3hm3 n GLU 34 Ca -0.11 -0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.60 3hm3 n GLU 34 Cb 0.63 -0.97 -0.01 0.00 -0.57 0.00 0.00 31.44 30.52 3hm3 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hm3 n GLY 35 N 1.24 0.64 3.65 0.62 0.00 0.99 -5.00 105.19 107.34 3hm3 n GLY 35 Ca 0.02 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 44.87 3hm3 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hm3 s ILE 36 N -2.10 5.17 0.45 -0.61 1.01 -1.26 -4.99 121.20 118.86 3hm3 s ILE 36 Ca 0.00 0.72 -0.25 0.00 0.00 0.00 0.00 60.65 61.12 3hm3 s ILE 36 Cb 0.00 -3.75 -0.08 0.00 0.01 0.00 0.00 42.46 38.64 3hm3 s ILE 36 CO 0.00 0.20 1.42 -2.84 0.00 0.00 0.00 174.94 173.72 3hm3 s PRO 37 N 1.68 3.72 0.44 2.79 0.02 -1.26 -3.82 135.00 138.56 3hm3 s PRO 37 Ca 0.19 2.41 0.16 0.00 0.02 0.00 0.00 61.00 63.77 3hm3 s PRO 37 Cb -0.15 -2.67 1.07 0.00 0.02 0.00 0.00 34.50 32.76 3hm3 s PRO 37 CO 0.09 -0.79 1.95 -1.35 -0.33 0.00 0.00 177.00 176.56 3hm3 h PRO 38 N 2.37 0.37 0.00 5.54 0.11 -1.96 -1.63 132.00 136.80 3hm3 h PRO 38 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3hm3 h PRO 38 Cb 1.26 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3hm3 h PRO 38 CO 0.61 0.25 0.00 -0.40 -0.21 0.00 0.00 178.00 178.25 3hm3 n ASP 39 N -4.47 0.62 0.08 -2.05 3.85 -1.26 -1.29 116.55 112.03 3hm3 n ASP 39 Ca 0.12 0.64 0.13 0.00 -0.71 0.00 0.00 54.79 54.97 3hm3 n ASP 39 Cb 0.48 -0.78 0.35 0.00 -1.35 0.00 0.00 41.12 39.82 3hm3 n ASP 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hm3 n GLN 40 N -2.17 0.25 -3.69 0.11 3.00 -0.61 -4.91 117.38 109.34 3hm3 n GLN 40 Ca 0.03 0.16 -0.37 0.00 -0.01 0.00 0.00 57.00 56.81 3hm3 n GLN 40 Cb 0.24 -1.74 -0.07 0.00 0.00 0.00 0.00 30.24 28.68 3hm3 n GLN 40 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 3hm3 s GLN 41 N -3.11 3.87 -0.10 -1.09 -0.21 -0.41 -0.51 119.66 118.10 3hm3 s GLN 41 Ca 0.10 0.02 0.04 0.00 0.02 0.00 0.00 55.36 55.53 3hm3 s GLN 41 Cb 0.13 -3.29 0.00 0.00 1.00 0.00 0.00 33.01 30.85 3hm3 s GLN 41 CO 0.63 0.54 -0.23 1.03 -2.12 0.00 0.00 175.29 175.14 3hm3 s ARG 42 N -0.42 2.97 -0.09 2.91 1.81 0.10 -4.92 118.95 121.31 3hm3 s ARG 42 Ca 0.16 -0.85 0.00 0.00 -1.72 0.00 0.00 55.73 53.32 3hm3 s ARG 42 Cb -0.13 -2.25 -0.03 0.00 -0.45 0.00 0.00 34.95 32.10 3hm3 s ARG 42 CO 0.05 0.17 -0.09 -0.51 -0.68 0.00 0.00 175.30 174.24 3hm3 s LEU 43 N 0.36 3.01 -0.07 2.53 1.43 -1.26 -0.49 118.68 124.18 3hm3 s LEU 43 Ca -0.19 -0.14 0.03 0.00 -1.03 0.00 0.00 54.13 52.81 3hm3 s LEU 43 Cb -0.18 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.38 3hm3 s LEU 43 CO 0.09 0.28 -0.17 -0.63 0.23 0.00 0.00 176.35 176.15 3hm3 s ILE 44 N -0.35 1.49 -0.05 -0.59 -1.09 -0.08 -0.82 121.20 119.71 3hm3 s ILE 44 Ca 0.04 -0.70 0.01 0.00 -2.23 0.00 0.00 60.65 57.77 3hm3 s ILE 44 Cb -0.12 -1.31 0.02 0.00 -1.58 0.00 0.00 42.46 39.47 3hm3 s ILE 44 CO 0.02 0.43 -0.03 0.12 -1.23 0.00 0.00 174.94 174.25 3hm3 s PHE 45 N 0.40 0.69 -1.38 3.97 5.36 0.42 -1.16 117.98 126.28 3hm3 s PHE 45 Ca -0.13 -0.18 -0.08 0.00 -0.96 0.00 0.00 56.93 55.57 3hm3 s PHE 45 Cb -0.15 -0.66 0.01 0.00 -0.34 0.00 0.00 43.02 41.87 3hm3 s PHE 45 CO 0.05 -0.21 1.09 0.00 -1.46 0.00 0.00 175.22 174.69 3hm3 n ALA 46 N 4.23 -1.25 -0.88 11.12 0.00 -1.26 -1.37 120.51 131.11 3hm3 n ALA 46 Ca -0.22 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3hm3 n ALA 46 Cb 0.51 -5.25 0.00 0.00 0.00 0.00 0.00 19.45 14.71 3hm3 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hm3 n GLY 47 N -1.93 0.70 3.47 0.00 0.00 -1.26 -4.99 105.19 101.18 3hm3 n GLY 47 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 3hm3 n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hm3 s LYS 48 N -0.29 3.21 -0.08 1.61 2.20 -0.47 -5.08 119.74 120.84 3hm3 s LYS 48 Ca 0.00 -0.61 -0.30 0.00 -0.36 0.00 0.00 55.97 54.71 3hm3 s LYS 48 Cb 0.00 -2.67 -0.02 0.00 -1.51 0.00 0.00 37.83 33.63 3hm3 s LYS 48 CO 0.00 0.38 1.01 -1.14 -0.36 0.00 0.00 175.35 175.24 3hm3 s GLN 49 N -0.06 4.45 0.22 4.03 0.74 -1.26 -0.44 119.66 127.33 3hm3 s GLN 49 Ca -0.01 1.41 -0.20 0.00 0.05 0.00 0.00 55.36 56.61 3hm3 s GLN 49 Cb -0.14 -3.52 -0.08 0.00 1.10 0.00 0.00 33.01 30.37 3hm3 s GLN 49 CO 0.03 -0.26 0.74 -0.51 -0.55 0.00 0.00 175.29 174.74 3hm3 s LEU 50 N 1.79 4.37 -0.11 3.68 1.43 0.00 -4.98 118.68 124.87 3hm3 s LEU 50 Ca 0.49 1.46 -0.03 0.00 -1.03 0.00 0.00 54.13 55.02 3hm3 s LEU 50 Cb -0.19 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.43 3hm3 s LEU 50 CO 0.20 0.05 0.00 -1.61 0.23 0.00 0.00 176.35 175.22 3hm3 s GLU 51 N -1.89 3.18 0.45 1.70 2.02 -1.26 -4.70 118.70 118.20 3hm3 s GLU 51 Ca 0.42 -0.42 0.22 0.00 0.02 0.00 0.00 54.97 55.21 3hm3 s GLU 51 Cb -0.17 -2.85 1.20 0.00 0.10 0.00 0.00 34.13 32.41 3hm3 s GLU 51 CO 0.22 0.59 1.85 -0.44 0.02 0.00 0.00 175.26 177.50 3hm3 h ASP 52 N 5.54 0.30 0.16 -0.19 3.45 -1.97 -2.16 116.42 121.54 3hm3 h ASP 52 Ca -0.47 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.03 3hm3 h ASP 52 Cb 1.19 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.94 3hm3 h ASP 52 CO 0.57 0.10 -0.27 0.61 -1.57 0.00 0.00 179.24 178.69 3hm3 n GLY 53 N -1.57 -0.38 3.96 2.75 0.00 -1.26 -1.05 105.19 107.64 3hm3 n GLY 53 Ca 0.20 -0.46 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 3hm3 n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hm3 s ARG 54 N -2.43 3.11 0.37 1.61 0.52 -0.81 -4.87 118.95 116.45 3hm3 s ARG 54 Ca 0.25 -0.61 0.07 0.00 -0.52 0.00 0.00 55.73 54.92 3hm3 s ARG 54 Cb 0.19 -2.64 -0.01 0.00 0.52 0.00 0.00 34.95 33.01 3hm3 s ARG 54 CO 0.51 -0.14 0.41 0.95 0.02 0.00 0.00 175.30 177.04 3hm3 s THR 55 N -2.43 3.40 0.21 0.02 -4.23 -1.26 -0.93 115.64 110.42 3hm3 s THR 55 Ca 0.47 -1.20 -0.09 0.00 -1.18 0.00 0.00 61.69 59.68 3hm3 s THR 55 Cb -0.10 -3.17 0.16 0.00 1.34 0.00 0.00 72.50 70.73 3hm3 s THR 55 CO 0.36 -0.10 1.85 -0.07 -0.54 0.00 0.00 174.62 176.12 3hm3 h LEU 56 N 1.00 0.95 -1.15 4.79 3.38 -1.22 -2.00 115.31 121.07 3hm3 h LEU 56 Ca -0.43 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.38 3hm3 h LEU 56 Cb 1.26 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 3hm3 h LEU 56 CO 0.54 0.74 -0.42 0.77 0.09 0.00 0.00 178.44 180.16 3hm3 h SER 57 N 1.08 0.00 -0.91 -0.43 4.64 -1.28 -1.20 113.55 115.46 3hm3 h SER 57 Ca 0.28 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.70 3hm3 h SER 57 Cb -0.03 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 61.99 3hm3 h SER 57 CO -0.05 0.42 0.58 0.44 -0.87 0.00 0.00 176.83 177.36 3hm3 h ASP 58 N 0.00 0.82 -0.37 4.97 3.32 -1.65 -2.30 116.42 121.21 3hm3 h ASP 58 Ca -0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3hm3 h ASP 58 Cb 0.76 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.16 3hm3 h ASP 58 CO 0.06 0.48 0.00 -1.22 -1.72 0.00 0.00 179.24 176.83 3hm3 n TYR 59 N -4.54 0.49 -3.20 4.55 4.02 -0.69 -4.93 117.16 112.86 3hm3 n TYR 59 Ca 0.16 -0.24 -0.23 0.00 -0.01 0.00 0.00 57.90 57.57 3hm3 n TYR 59 Cb 0.31 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.67 3hm3 n TYR 59 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3hm3 n ASN 60 N 0.82 -5.88 -4.66 7.72 5.15 -0.87 -4.96 115.26 112.58 3hm3 n ASN 60 Ca 0.17 -0.36 -0.41 0.00 -0.60 0.00 0.00 54.58 53.38 3hm3 n ASN 60 Cb 0.41 -4.73 -0.05 0.00 -0.53 0.00 0.00 39.78 34.88 3hm3 n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3hm3 s ILE 61 N -3.19 4.97 0.40 -1.44 1.01 -0.54 -5.03 121.20 117.38 3hm3 s ILE 61 Ca 0.38 1.36 0.08 0.00 0.00 0.00 0.00 60.65 62.46 3hm3 s ILE 61 Cb -0.17 -4.02 -0.06 0.00 0.01 0.00 0.00 42.46 38.22 3hm3 s ILE 61 CO 0.47 0.08 0.11 -1.10 0.00 0.00 0.00 174.94 174.49 3hm3 s GLN 62 N 2.01 2.14 0.09 2.79 -1.52 -1.26 -4.51 119.66 119.40 3hm3 s GLN 62 Ca 0.32 -1.88 -0.36 0.00 -1.95 0.00 0.00 55.36 51.49 3hm3 s GLN 62 Cb -0.16 -1.89 -0.17 0.00 -0.22 0.00 0.00 33.01 30.56 3hm3 s GLN 62 CO 0.11 -0.05 1.17 1.17 -0.25 0.00 0.00 175.29 177.44 3hm3 n LYS 63 N -1.12 0.74 -1.10 2.91 4.81 -1.26 -1.28 118.16 121.86 3hm3 n LYS 63 Ca -0.03 0.27 -0.03 0.00 -0.87 0.00 0.00 58.31 57.65 3hm3 n LYS 63 Cb 0.65 -1.79 -0.01 0.00 0.02 0.00 0.00 35.03 33.89 3hm3 n LYS 63 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3hm3 n GLU 64 N 1.93 -0.94 -1.77 1.64 1.02 0.45 -5.01 120.64 117.97 3hm3 n GLU 64 Ca 0.18 0.45 -0.33 0.00 -0.02 0.00 0.00 57.16 57.44 3hm3 n GLU 64 Cb 0.18 -4.28 0.05 0.00 -0.02 0.00 0.00 31.44 27.36 3hm3 n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3hm3 s SER 65 N -2.28 5.09 -0.15 1.62 0.01 -0.41 -4.76 113.70 112.82 3hm3 s SER 65 Ca 0.00 2.03 0.01 0.00 1.31 0.00 0.00 55.95 59.30 3hm3 s SER 65 Cb 0.00 -2.55 -0.00 0.00 0.21 0.00 0.00 66.02 63.67 3hm3 s SER 65 CO 0.00 -1.64 -0.16 -0.89 0.41 0.00 0.00 173.24 170.95 3hm3 s THR 66 N -2.29 2.59 0.10 1.44 2.01 -1.26 -1.21 115.64 117.03 3hm3 s THR 66 Ca 0.68 -0.80 0.02 0.00 0.31 0.00 0.00 61.69 61.90 3hm3 s THR 66 Cb -0.21 -2.09 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 3hm3 s THR 66 CO 0.41 0.52 0.21 -0.76 -0.69 0.00 0.00 174.62 174.30 3hm3 s LEU 67 N 0.81 4.21 -0.15 4.42 1.43 -0.08 -4.77 118.68 124.54 3hm3 s LEU 67 Ca -0.06 0.15 -0.04 0.00 -1.03 0.00 0.00 54.13 53.16 3hm3 s LEU 67 Cb -0.15 -2.81 -0.03 0.00 0.03 0.00 0.00 46.19 43.23 3hm3 s LEU 67 CO -0.00 0.12 -0.03 -1.00 0.23 0.00 0.00 176.35 175.67 3hm3 s HIS 68 N -1.59 3.04 -0.28 0.29 3.76 -0.31 -0.45 115.29 119.74 3hm3 s HIS 68 Ca 0.34 -0.25 -0.11 0.00 -0.15 0.00 0.00 55.06 54.89 3hm3 s HIS 68 Cb -0.12 -1.95 -0.04 0.00 1.11 0.00 0.00 32.58 31.58 3hm3 s HIS 68 CO 0.27 0.01 0.17 -1.17 -0.85 0.00 0.00 174.74 173.17 3hm3 s LEU 69 N 0.27 3.97 -0.13 0.89 2.96 0.30 -0.91 118.68 126.03 3hm3 s LEU 69 Ca -0.03 -0.09 0.00 0.00 -0.22 0.00 0.00 54.13 53.80 3hm3 s LEU 69 Cb -0.14 -2.09 -0.01 0.00 0.50 0.00 0.00 46.19 44.45 3hm3 s LEU 69 CO 0.03 -0.07 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.16 3hm3 s VAL 70 N 1.73 2.96 -0.13 1.68 1.01 0.36 -4.08 120.40 123.93 3hm3 s VAL 70 Ca 0.07 -0.69 -0.13 0.00 0.00 0.00 0.00 61.98 61.23 3hm3 s VAL 70 Cb -0.16 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.93 3hm3 s VAL 70 CO 0.10 0.52 0.27 -0.76 0.00 0.00 0.00 175.10 175.23 3hm3 s LEU 71 N 0.41 4.30 0.28 3.92 1.02 -1.26 0.03 118.68 127.38 3hm3 s LEU 71 Ca -0.11 0.55 -0.30 0.00 0.02 0.00 0.00 54.13 54.30 3hm3 s LEU 71 Cb -0.16 -2.33 -0.11 0.00 0.02 0.00 0.00 46.19 43.61 3hm3 s LEU 71 CO 0.05 0.19 1.56 -0.60 0.02 0.00 0.00 176.35 177.58 3hm3 s ARG 72 N -0.04 4.16 -0.34 1.70 3.52 0.33 -4.93 118.95 123.35 3hm3 s ARG 72 Ca 0.17 2.51 -0.36 0.00 -0.13 0.00 0.00 55.73 57.92 3hm3 s ARG 72 Cb -0.13 -3.05 -0.12 0.00 -1.56 0.00 0.00 34.95 30.09 3hm3 s ARG 72 CO 0.05 -0.59 2.14 1.28 -0.81 0.00 0.00 175.30 177.37 3hm3 n LEU 73 N 2.29 2.10 -4.68 -0.88 4.32 -1.26 -4.87 117.00 114.01 3hm3 n LEU 73 Ca 0.08 0.50 -0.49 0.00 -0.02 0.00 0.00 56.01 56.08 3hm3 n LEU 73 Cb 0.38 -1.23 -0.05 0.00 -1.62 0.00 0.00 43.42 40.90 3hm3 n LEU 73 CO 0.63 -0.69 1.42 -1.14 -1.22 0.00 0.00 177.39 176.40 3hm3 n ARG 74 N 7.88 2.07 -2.17 3.23 0.63 -1.26 -0.03 116.66 127.01 3hm3 n ARG 74 Ca 0.40 0.76 -0.11 0.00 -0.92 0.00 0.00 57.85 57.99 3hm3 n ARG 74 Cb 0.20 -2.58 -0.01 0.00 0.45 0.00 0.00 32.46 30.53 3hm3 n ARG 74 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3hm3 n GLY 75 N 4.21 -0.02 3.32 5.14 0.00 -1.26 -5.29 105.19 111.29 3hm3 n GLY 75 Ca 0.22 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3hm3 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93