#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hgm s PHE 2 N 0.00 3.08 -0.15 3.17 0.08 -1.26 -4.98 117.98 117.92 3hgm s PHE 2 Ca 0.00 -0.34 0.18 0.00 0.12 0.00 0.00 56.93 56.89 3hgm s PHE 2 Cb 0.00 -2.10 -0.25 0.00 -0.57 0.00 0.00 43.02 40.09 3hgm s PHE 2 CO 0.00 -0.18 0.27 0.09 -0.10 0.00 0.00 175.22 175.31 3hgm n ASN 3 N 4.20 0.17 -3.48 1.36 3.02 -1.26 -4.24 115.26 115.03 3hgm n ASN 3 Ca -0.17 0.08 -0.23 0.00 -0.03 0.00 0.00 54.58 54.23 3hgm n ASN 3 Cb 0.52 0.99 -0.13 0.00 -0.61 0.00 0.00 39.78 40.55 3hgm n ASN 3 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3hgm s ARG 4 N -2.72 0.24 -0.20 3.52 3.52 -1.26 -0.05 118.95 122.00 3hgm s ARG 4 Ca -0.08 -0.29 -0.08 0.00 -0.13 0.00 0.00 55.73 55.14 3hgm s ARG 4 Cb 0.08 -0.96 -0.04 0.00 -1.56 0.00 0.00 34.95 32.46 3hgm s ARG 4 CO 0.84 -0.99 0.09 0.42 -0.81 0.00 0.00 175.30 174.86 3hgm s ILE 5 N 2.23 4.98 -0.14 4.11 1.01 0.15 -1.17 121.20 132.37 3hgm s ILE 5 Ca 0.09 0.04 -0.05 0.00 0.00 0.00 0.00 60.65 60.73 3hgm s ILE 5 Cb -0.15 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.02 3hgm s ILE 5 CO -0.33 0.43 0.03 -0.32 0.00 0.00 0.00 174.94 174.75 3hgm s MET 6 N 0.58 3.55 -0.33 2.79 -2.45 0.64 0.29 119.30 124.37 3hgm s MET 6 Ca 0.05 -0.38 0.03 0.00 -1.25 0.00 0.00 55.69 54.14 3hgm s MET 6 Cb -0.12 -3.02 0.09 0.00 1.25 0.00 0.00 34.83 33.03 3hgm s MET 6 CO 0.01 0.45 0.04 0.08 1.05 0.00 0.00 175.02 176.65 3hgm s VAL 7 N -0.15 2.37 0.10 10.11 1.01 0.16 -0.29 120.40 133.70 3hgm s VAL 7 Ca 0.06 -2.21 -0.31 0.00 0.00 0.00 0.00 61.98 59.52 3hgm s VAL 7 Cb -0.12 -2.68 -0.07 0.00 0.00 0.00 0.00 36.38 33.50 3hgm s VAL 7 CO 0.02 -0.52 1.34 -2.84 0.00 0.00 0.00 175.10 173.09 3hgm s PRO 8 N 0.96 4.35 0.02 2.72 0.02 -1.25 -2.27 135.00 139.55 3hgm s PRO 8 Ca 0.08 1.99 0.07 0.00 0.02 0.00 0.00 61.00 63.15 3hgm s PRO 8 Cb -0.19 -3.28 -0.02 0.00 0.02 0.00 0.00 34.50 31.02 3hgm s PRO 8 CO -0.07 -0.39 -0.19 0.14 -0.33 0.00 0.00 177.00 176.16 3hgm s VAL 9 N 1.12 1.55 -0.02 3.83 -7.23 0.60 -4.68 120.40 115.58 3hgm s VAL 9 Ca 0.63 -1.05 0.03 0.00 -1.81 0.00 0.00 61.98 59.78 3hgm s VAL 9 Cb -0.35 -1.34 0.04 0.00 0.56 0.00 0.00 36.38 35.30 3hgm s VAL 9 CO 0.30 0.26 0.88 -0.90 -0.31 0.00 0.00 175.10 175.32 3hgm n ASP 10 N 2.11 1.33 -0.14 4.85 5.75 -1.26 -4.14 116.55 125.05 3hgm n ASP 10 Ca -0.16 -1.86 -0.02 0.00 -0.01 0.00 0.00 54.79 52.74 3hgm n ASP 10 Cb 0.53 -0.07 -0.01 0.00 -1.03 0.00 0.00 41.12 40.55 3hgm n ASP 10 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hgm n GLY 11 N -0.44 0.53 3.92 6.12 0.00 -1.26 -4.85 105.19 109.21 3hgm n GLY 11 Ca 0.02 -0.73 -0.21 0.00 0.00 0.00 0.00 46.02 45.10 3hgm n GLY 11 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hgm s SER 12 N -2.73 5.89 0.29 1.61 1.04 -1.26 -4.97 113.70 113.57 3hgm s SER 12 Ca 0.00 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.28 3hgm s SER 12 Cb 0.00 -1.48 0.45 0.00 0.10 0.00 0.00 66.02 65.09 3hgm s SER 12 CO 0.00 -0.17 1.83 0.11 0.98 0.00 0.00 173.24 175.98 3hgm h LYS 13 N 1.21 0.73 -0.78 4.02 1.57 -1.92 -2.43 116.57 118.97 3hgm h LYS 13 Ca -0.49 -0.16 0.04 0.00 -1.87 0.00 0.00 60.65 58.18 3hgm h LYS 13 Cb 1.24 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.39 3hgm h LYS 13 CO 0.59 0.70 0.49 0.78 -0.57 0.00 0.00 179.45 181.43 3hgm h GLY 14 N 0.93 1.15 1.66 3.86 0.00 -1.84 -1.88 103.07 106.95 3hgm h GLY 14 Ca 0.15 -0.36 -0.10 0.00 0.00 0.00 0.00 47.33 47.01 3hgm h GLY 14 CO 0.01 0.28 -0.34 0.00 0.00 0.00 0.00 176.54 176.49 3hgm h ALA 15 N 1.35 1.08 -0.58 3.60 0.00 -1.62 -1.94 119.26 121.14 3hgm h ALA 15 Ca 0.33 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3hgm h ALA 15 Cb 0.08 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3hgm h ALA 15 CO -0.14 0.58 0.26 0.28 0.00 0.00 0.00 179.25 180.23 3hgm h VAL 16 N 0.33 1.22 -0.65 0.00 2.07 -0.96 0.49 116.25 118.74 3hgm h VAL 16 Ca 0.04 -0.63 -0.06 0.00 0.82 0.00 0.00 66.70 66.86 3hgm h VAL 16 Cb 0.76 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 3hgm h VAL 16 CO 0.06 0.25 0.16 0.11 0.02 0.00 0.00 177.57 178.17 3hgm h LYS 17 N 0.79 1.03 -0.30 1.57 1.79 -1.16 -0.19 116.57 120.10 3hgm h LYS 17 Ca 0.20 -0.24 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 3hgm h LYS 17 Cb 0.15 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 3hgm h LYS 17 CO -0.02 0.91 0.20 0.00 -1.08 0.00 0.00 179.45 179.46 3hgm h ALA 18 N 1.18 0.38 -0.83 3.86 0.00 -1.09 -2.52 119.26 120.25 3hgm h ALA 18 Ca 0.21 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.14 3hgm h ALA 18 Cb 0.35 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 3hgm h ALA 18 CO 0.00 -0.15 0.52 1.25 0.00 0.00 0.00 179.25 180.87 3hgm h LEU 19 N 0.40 0.85 -1.22 0.00 5.85 -0.39 -0.29 115.31 120.51 3hgm h LEU 19 Ca 0.11 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3hgm h LEU 19 Cb -0.04 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 3hgm h LEU 19 CO -0.02 0.57 0.38 -0.33 -0.34 0.00 0.00 178.44 178.69 3hgm h GLU 20 N 0.99 0.91 -0.07 1.25 5.08 -0.81 -0.14 114.58 121.79 3hgm h GLU 20 Ca 0.34 -0.09 -0.22 0.00 -1.00 0.00 0.00 59.36 58.40 3hgm h GLU 20 Cb 0.07 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.14 3hgm h GLU 20 CO -0.14 0.66 -0.84 0.87 -1.00 0.00 0.00 179.01 178.56 3hgm h LYS 21 N 0.92 0.56 -0.98 2.33 1.79 -0.99 -2.31 116.57 117.89 3hgm h LYS 21 Ca 0.24 -0.51 0.01 0.00 -2.18 0.00 0.00 60.65 58.21 3hgm h LYS 21 Cb 0.01 0.12 -0.05 0.00 -1.58 0.00 0.00 32.23 30.73 3hgm h LYS 21 CO -0.04 1.13 0.65 0.78 -1.08 0.00 0.00 179.45 180.89 3hgm h GLY 22 N 0.95 1.39 0.92 3.86 0.00 -0.71 -1.37 103.07 108.11 3hgm h GLY 22 Ca -0.06 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 46.73 3hgm h GLY 22 CO 0.16 0.51 0.13 -2.08 0.00 0.00 0.00 176.54 175.25 3hgm h VAL 23 N 1.34 1.18 -0.83 4.60 2.07 -1.01 -0.07 116.25 123.53 3hgm h VAL 23 Ca 0.36 -0.54 0.09 0.00 0.82 0.00 0.00 66.70 67.43 3hgm h VAL 23 Cb -0.15 0.96 -0.07 0.00 -1.52 0.00 0.00 31.29 30.50 3hgm h VAL 23 CO -0.08 0.19 0.48 1.23 0.02 0.00 0.00 177.57 179.41 3hgm h GLY 24 N 0.36 1.29 2.00 2.17 0.00 -1.06 -0.72 103.07 107.10 3hgm h GLY 24 Ca 0.10 -0.32 -0.15 0.00 0.00 0.00 0.00 47.33 46.96 3hgm h GLY 24 CO -0.01 0.14 -0.73 1.41 0.00 0.00 0.00 176.54 177.35 3hgm h LEU 25 N 0.81 0.00 -0.22 3.11 3.38 -1.12 -2.86 115.31 118.42 3hgm h LEU 25 Ca 0.40 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.35 3hgm h LEU 25 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3hgm h LEU 25 CO -0.24 0.73 0.07 -0.61 0.09 0.00 0.00 178.44 178.49 3hgm h GLN 26 N 0.00 0.33 0.00 1.13 -0.00 -0.29 -2.17 115.11 114.12 3hgm h GLN 26 Ca -0.01 -0.07 -0.01 0.00 -0.00 0.00 0.00 58.65 58.57 3hgm h GLN 26 Cb 1.35 -0.05 -0.00 0.00 0.00 0.00 0.00 27.48 28.78 3hgm h GLN 26 CO 0.10 0.41 -0.04 1.96 0.00 0.00 0.00 178.83 181.26 3hgm h GLN 27 N 0.18 0.00 0.00 1.69 4.20 -1.16 0.69 115.11 120.72 3hgm h GLN 27 Ca 0.07 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.64 3hgm h GLN 27 Cb 0.22 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 3hgm h GLN 27 CO -0.00 0.04 -0.91 1.25 -0.67 0.00 0.00 178.83 178.53 3hgm h LEU 28 N 0.00 0.00 0.00 1.46 5.85 -1.38 -3.39 115.31 117.85 3hgm h LEU 28 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hgm h LEU 28 Cb 0.52 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.55 3hgm h LEU 28 CO 0.00 0.59 -0.66 0.35 -0.34 0.00 0.00 178.44 178.38 3hgm n THR 29 N -3.11 0.00 -1.44 1.05 -2.24 -0.83 -4.97 114.28 102.74 3hgm n THR 29 Ca -0.03 -0.25 -0.14 0.00 -2.27 0.00 0.00 64.05 61.36 3hgm n THR 29 Cb 0.80 0.71 -0.06 0.00 -2.10 0.00 0.00 70.33 69.68 3hgm n THR 29 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hgm n GLY 30 N 1.70 1.39 3.78 3.38 0.00 0.24 -4.86 105.19 110.81 3hgm n GLY 30 Ca -0.00 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 3hgm n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hgm s ALA 31 N -2.53 2.16 0.35 4.61 0.00 -1.21 -5.02 121.76 120.13 3hgm s ALA 31 Ca 0.00 -0.00 -0.27 0.00 0.00 0.00 0.00 51.96 51.69 3hgm s ALA 31 Cb 0.00 -3.18 -0.09 0.00 0.00 0.00 0.00 23.12 19.85 3hgm s ALA 31 CO 0.00 -1.79 1.16 -1.21 0.00 0.00 0.00 175.76 173.92 3hgm s GLU 32 N -5.02 4.28 -0.32 0.00 2.02 0.92 -4.91 118.70 115.67 3hgm s GLU 32 Ca 0.61 1.86 -0.04 0.00 0.02 0.00 0.00 54.97 57.42 3hgm s GLU 32 Cb -0.16 -2.87 0.04 0.00 0.10 0.00 0.00 34.13 31.24 3hgm s GLU 32 CO 0.55 -0.13 0.05 -1.17 0.02 0.00 0.00 175.26 174.58 3hgm s LEU 33 N -2.10 4.07 -0.16 1.80 2.96 0.77 -0.67 118.68 125.35 3hgm s LEU 33 Ca 0.52 -1.17 -0.14 0.00 -0.22 0.00 0.00 54.13 53.13 3hgm s LEU 33 Cb -0.32 -1.79 -0.05 0.00 0.50 0.00 0.00 46.19 44.53 3hgm s LEU 33 CO 0.41 -0.28 0.30 -0.31 -1.32 0.00 0.00 176.35 175.14 3hgm s TYR 34 N 1.34 3.46 -0.11 5.38 1.51 0.15 -1.15 117.35 127.92 3hgm s TYR 34 Ca -0.03 0.61 0.02 0.00 -1.01 0.00 0.00 57.07 56.66 3hgm s TYR 34 Cb -0.19 -2.36 -0.01 0.00 -0.11 0.00 0.00 41.96 39.29 3hgm s TYR 34 CO 0.01 0.22 -0.19 0.42 -1.11 0.00 0.00 175.55 174.90 3hgm s ILE 35 N 0.51 2.54 -0.05 2.71 1.01 -0.06 0.36 121.20 128.22 3hgm s ILE 35 Ca 0.17 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.98 3hgm s ILE 35 Cb -0.13 -2.01 0.02 0.00 0.01 0.00 0.00 42.46 40.34 3hgm s ILE 35 CO 0.04 0.55 -0.07 -0.22 0.00 0.00 0.00 174.94 175.24 3hgm s LEU 36 N 0.26 1.42 -0.17 2.97 2.96 -0.96 0.07 118.68 125.23 3hgm s LEU 36 Ca -0.13 -0.19 0.00 0.00 -0.22 0.00 0.00 54.13 53.59 3hgm s LEU 36 Cb -0.16 -0.59 0.01 0.00 0.50 0.00 0.00 46.19 45.95 3hgm s LEU 36 CO 0.07 -0.03 -0.17 0.00 -1.32 0.00 0.00 176.35 174.90 3hgm s VAL 38 N 1.09 5.41 0.19 0.00 1.01 -1.26 -2.37 120.40 124.46 3hgm s VAL 38 Ca -0.00 0.29 0.09 0.00 0.00 0.00 0.00 61.98 62.36 3hgm s VAL 38 Cb -0.14 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 3hgm s VAL 38 CO -0.06 0.50 -0.12 0.72 0.00 0.00 0.00 175.10 176.14 3hgm s PHE 39 N -0.15 2.57 -0.18 5.22 -0.12 -0.44 -4.95 117.98 119.94 3hgm s PHE 39 Ca 0.12 -0.25 -0.18 0.00 -0.05 0.00 0.00 56.93 56.57 3hgm s PHE 39 Cb -0.12 -1.25 -0.03 0.00 -0.63 0.00 0.00 43.02 40.99 3hgm s PHE 39 CO 0.02 0.52 0.51 0.15 -0.05 0.00 0.00 175.22 176.37 3hgm s LYS 40 N -2.88 4.24 -0.06 1.99 1.02 -1.26 -0.80 119.74 121.98 3hgm s LYS 40 Ca 0.25 0.43 0.04 0.00 0.02 0.00 0.00 55.97 56.71 3hgm s LYS 40 Cb -0.08 -3.53 -0.06 0.00 -0.52 0.00 0.00 37.83 33.64 3hgm s LYS 40 CO 0.15 -0.06 -0.00 -2.39 -0.92 0.00 0.00 175.35 172.12 3hgm n HIS 41 N 4.47 0.00 -3.72 3.18 1.44 -1.26 -4.95 115.22 114.38 3hgm n HIS 41 Ca -0.05 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.36 3hgm n HIS 41 Cb 0.51 -0.27 -0.15 0.00 0.12 0.00 0.00 29.99 30.19 3hgm n HIS 41 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3hgm s ALA 47 N -2.14 1.55 -0.31 1.59 0.00 -1.26 -5.02 121.76 116.17 3hgm s ALA 47 Ca -0.05 -1.72 0.10 0.00 0.00 0.00 0.00 51.96 50.29 3hgm s ALA 47 Cb 0.02 -1.63 0.61 0.00 0.00 0.00 0.00 23.12 22.11 3hgm s ALA 47 CO 0.21 -1.70 1.64 -1.13 0.00 0.00 0.00 175.76 174.78 3hgm n SER 48 N 4.76 3.64 -4.79 0.00 3.41 -1.26 -4.98 113.62 114.42 3hgm n SER 48 Ca -0.01 -3.44 -0.36 0.00 -0.26 0.00 0.00 58.87 54.80 3hgm n SER 48 Cb 0.41 -0.69 -0.08 0.00 -0.26 0.00 0.00 64.21 63.60 3hgm n SER 48 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hgm s LEU 49 N -3.11 3.99 0.29 1.04 1.43 -1.26 -5.01 118.68 116.05 3hgm s LEU 49 Ca 0.49 0.29 0.05 0.00 -1.03 0.00 0.00 54.13 53.93 3hgm s LEU 49 Cb 0.42 -2.00 0.45 0.00 0.03 0.00 0.00 46.19 45.08 3hgm s LEU 49 CO 0.07 0.38 1.72 -1.28 0.23 0.00 0.00 176.35 177.47 3hgm h SER 50 N 4.92 0.36 -5.09 2.29 0.87 -2.08 -3.45 113.55 111.37 3hgm h SER 50 Ca -0.52 -0.13 -0.11 0.00 -1.23 0.00 0.00 61.79 59.79 3hgm h SER 50 Cb 1.21 -0.10 -0.17 0.00 -0.44 0.00 0.00 62.40 62.90 3hgm h SER 50 CO 0.57 0.68 -0.45 -0.32 -0.53 0.00 0.00 176.83 176.78 3hgm s MET 51 N -4.33 0.66 0.53 2.24 -2.45 -1.26 -5.15 119.30 109.54 3hgm s MET 51 Ca -0.06 -0.71 -0.21 0.00 -1.25 0.00 0.00 55.69 53.46 3hgm s MET 51 Cb 0.14 0.27 -0.05 0.00 1.25 0.00 0.00 34.83 36.43 3hgm s MET 51 CO 0.78 -0.18 1.20 0.00 1.05 0.00 0.00 175.02 177.86 3hgm s ALA 52 N -2.71 2.75 0.85 4.11 0.00 -1.26 -5.02 121.76 120.48 3hgm s ALA 52 Ca -0.04 0.99 -0.11 0.00 0.00 0.00 0.00 51.96 52.79 3hgm s ALA 52 Cb -0.00 -3.42 0.10 0.00 0.00 0.00 0.00 23.12 19.79 3hgm s ALA 52 CO -0.05 -0.94 1.09 1.03 0.00 0.00 0.00 175.76 176.90 3hgm s ARG 53 N -3.06 1.64 0.00 0.00 0.52 -1.26 -5.16 118.95 111.63 3hgm s ARG 53 Ca 0.71 0.83 0.00 0.00 -0.52 0.00 0.00 55.73 56.75 3hgm s ARG 53 Cb -0.30 -1.85 0.00 0.00 0.52 0.00 0.00 34.95 33.32 3hgm s ARG 53 CO 0.34 -1.98 0.00 -2.30 0.02 0.00 0.00 175.30 171.38 3hgm n PRO 54 N -3.70 0.00 0.00 3.54 -0.02 -1.26 -4.81 135.00 128.75 3hgm n PRO 54 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 3hgm n PRO 54 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.03 3hgm n PRO 54 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3hgm n GLN 56 N 0.00 0.00 -0.05 -0.52 -0.06 -1.26 -2.33 117.38 113.16 3hgm n GLN 56 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 3hgm n GLN 56 Cb 0.00 0.00 -0.16 0.00 -4.06 0.00 0.00 30.24 26.02 3hgm n GLN 56 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 3hgm n LEU 57 N 0.00 0.01 -4.57 1.69 7.94 -1.26 -4.77 117.00 116.03 3hgm n LEU 57 Ca 0.00 0.00 -0.24 0.00 -1.11 0.00 0.00 56.01 54.66 3hgm n LEU 57 Cb 0.00 0.25 -0.06 0.00 0.53 0.00 0.00 43.42 44.14 3hgm n LEU 57 CO 0.00 0.25 1.36 -1.81 -1.11 0.00 0.00 177.39 176.08 3hgm s ASP 58 N -5.01 4.77 0.00 1.96 1.01 -0.98 -4.93 116.67 113.48 3hgm s ASP 58 Ca -0.09 -1.02 -0.30 0.00 0.71 0.00 0.00 52.55 51.85 3hgm s ASP 58 Cb 0.10 -2.57 -0.06 0.00 1.01 0.00 0.00 42.92 41.40 3hgm s ASP 58 CO 0.87 -3.23 1.44 -0.63 0.21 0.00 0.00 175.17 173.83 3hgm s ILE 59 N 11.75 3.63 0.48 0.77 1.01 -1.26 -4.96 121.20 132.62 3hgm s ILE 59 Ca 0.73 1.01 -0.22 0.00 0.00 0.00 0.00 60.65 62.17 3hgm s ILE 59 Cb -0.05 -3.65 -0.10 0.00 0.01 0.00 0.00 42.46 38.68 3hgm s ILE 59 CO 0.08 -0.01 0.78 -2.65 0.00 0.00 0.00 174.94 173.14 3hgm n PRO 60 N 5.55 0.89 -0.28 2.79 -0.02 -1.26 -4.79 135.00 137.88 3hgm n PRO 60 Ca 0.14 0.33 0.15 0.00 -2.02 0.00 0.00 63.50 62.09 3hgm n PRO 60 Cb 0.43 -1.85 0.41 0.00 -0.02 0.00 0.00 33.50 32.47 3hgm n PRO 60 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3hgm h ASP 61 N 0.90 0.61 0.12 2.55 5.19 -1.96 0.61 116.42 124.45 3hgm h ASP 61 Ca -0.44 0.05 -0.07 0.00 -0.62 0.00 0.00 57.03 55.95 3hgm h ASP 61 Cb 1.37 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.81 3hgm h ASP 61 CO 0.52 0.26 -0.24 0.44 -3.12 0.00 0.00 179.24 177.11 3hgm h ASP 62 N 0.62 0.21 -0.02 6.45 5.19 -1.98 -1.83 116.42 125.05 3hgm h ASP 62 Ca 0.49 -0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 56.84 3hgm h ASP 62 Cb 0.92 -0.06 -0.00 0.00 0.18 0.00 0.00 39.33 40.37 3hgm h ASP 62 CO -0.24 0.46 -0.00 0.00 -3.12 0.00 0.00 179.24 176.34 3hgm h ALA 63 N 1.56 0.03 -0.37 3.45 0.00 -1.20 0.36 119.26 123.09 3hgm h ALA 63 Ca 0.03 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 3hgm h ALA 63 Cb 0.54 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3hgm h ALA 63 CO 0.04 -0.29 -0.17 -0.07 0.00 0.00 0.00 179.25 178.75 3hgm h LEU 64 N -0.30 0.67 -0.33 0.00 3.38 -1.50 -1.61 115.31 115.63 3hgm h LEU 64 Ca 0.00 -0.21 -0.14 0.00 0.09 0.00 0.00 57.88 57.62 3hgm h LEU 64 Cb 0.36 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3hgm h LEU 64 CO 0.00 0.85 -0.33 0.50 0.09 0.00 0.00 178.44 179.55 3hgm h LYS 65 N 0.61 0.80 -0.47 1.13 3.64 -1.30 -1.74 116.57 119.23 3hgm h LYS 65 Ca 0.10 -0.42 -0.08 0.00 -1.27 0.00 0.00 60.65 58.98 3hgm h LYS 65 Cb 0.63 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 3hgm h LYS 65 CO 0.04 1.06 -0.02 -0.44 -2.27 0.00 0.00 179.45 177.82 3hgm h ASP 66 N 0.57 0.77 -0.14 4.20 3.32 -0.14 0.63 116.42 125.63 3hgm h ASP 66 Ca 0.05 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 3hgm h ASP 66 Cb 0.91 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 3hgm h ASP 66 CO 0.08 0.85 0.04 0.22 -1.72 0.00 0.00 179.24 178.72 3hgm h TYR 67 N 0.74 0.23 -0.97 4.55 3.20 -1.26 0.25 116.97 123.71 3hgm h TYR 67 Ca 0.14 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.03 3hgm h TYR 67 Cb 0.48 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.63 3hgm h TYR 67 CO 0.03 0.34 0.63 0.00 -1.64 0.00 0.00 178.16 177.52 3hgm h ALA 68 N 0.86 1.40 -0.48 1.82 0.00 -1.14 -1.01 119.26 120.70 3hgm h ALA 68 Ca 0.05 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3hgm h ALA 68 Cb 0.22 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3hgm h ALA 68 CO -0.00 0.49 0.12 1.15 0.00 0.00 0.00 179.25 181.01 3hgm h THR 69 N 1.19 1.24 -0.87 0.00 2.02 -0.59 -1.00 112.91 114.90 3hgm h THR 69 Ca 0.40 -0.83 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 3hgm h THR 69 Cb 0.07 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 3hgm h THR 69 CO -0.13 0.30 0.46 -0.33 0.37 0.00 0.00 175.52 176.18 3hgm h GLU 70 N 0.65 1.23 -0.44 6.66 4.39 -0.41 -0.81 114.58 125.85 3hgm h GLU 70 Ca 0.15 -0.15 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 3hgm h GLU 70 Cb 0.33 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 3hgm h GLU 70 CO 0.00 0.91 0.17 0.82 -1.16 0.00 0.00 179.01 179.75 3hgm h ILE 71 N 1.22 1.21 -0.70 3.13 2.04 -0.93 -1.39 117.51 122.09 3hgm h ILE 71 Ca 0.30 -0.64 -0.07 0.00 1.00 0.00 0.00 64.86 65.45 3hgm h ILE 71 Cb 0.06 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 3hgm h ILE 71 CO -0.05 0.24 0.16 0.00 0.00 0.00 0.00 178.15 178.50 3hgm h ALA 72 N 1.01 0.93 -0.43 1.87 0.00 -0.90 -2.09 119.26 119.65 3hgm h ALA 72 Ca 0.15 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 3hgm h ALA 72 Cb 0.21 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3hgm h ALA 72 CO -0.01 0.66 -0.08 0.28 0.00 0.00 0.00 179.25 180.10 3hgm h VAL 73 N 1.06 1.27 -0.34 0.00 2.07 -0.98 -1.41 116.25 117.92 3hgm h VAL 73 Ca 0.22 -1.17 0.04 0.00 0.82 0.00 0.00 66.70 66.61 3hgm h VAL 73 Cb 0.38 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 3hgm h VAL 73 CO 0.00 0.40 0.11 -0.61 0.02 0.00 0.00 177.57 177.49 3hgm h GLN 74 N 0.63 0.24 -0.65 1.57 4.15 -1.14 0.79 115.11 120.70 3hgm h GLN 74 Ca 0.11 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 3hgm h GLN 74 Cb 0.60 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.21 3hgm h GLN 74 CO 0.04 0.16 0.37 0.00 -1.93 0.00 0.00 178.83 177.46 3hgm h ALA 75 N 1.23 0.84 -0.36 3.38 0.00 -1.25 0.36 119.26 123.45 3hgm h ALA 75 Ca 0.16 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3hgm h ALA 75 Cb 0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3hgm h ALA 75 CO -0.17 0.34 0.02 -0.22 0.00 0.00 0.00 179.25 179.23 3hgm h LYS 76 N 0.89 0.62 -0.55 0.00 3.64 -0.98 0.58 116.57 120.77 3hgm h LYS 76 Ca 0.23 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 3hgm h LYS 76 Cb 0.03 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 3hgm h LYS 76 CO -0.04 0.72 0.22 1.15 -2.27 0.00 0.00 179.45 179.23 3hgm h THR 77 N 0.45 1.22 -0.30 1.00 2.02 -0.64 -2.80 112.91 113.86 3hgm h THR 77 Ca 0.10 -0.70 -0.11 0.00 0.77 0.00 0.00 66.41 66.48 3hgm h THR 77 Cb 0.43 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 3hgm h THR 77 CO 0.01 0.27 -0.27 -0.09 0.37 0.00 0.00 175.52 175.81 3hgm h ARG 78 N 0.76 0.60 -0.94 6.66 9.65 -0.11 -1.57 114.38 129.43 3hgm h ARG 78 Ca 0.18 -0.25 0.01 0.00 -1.10 0.00 0.00 59.98 58.83 3hgm h ARG 78 Cb 0.21 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 28.71 3hgm h ARG 78 CO -0.01 0.81 0.62 0.00 2.80 0.00 0.00 179.97 184.19 3hgm h ALA 79 N 1.18 1.19 -0.12 2.80 0.00 -0.77 -1.52 119.26 122.02 3hgm h ALA 79 Ca 0.07 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 3hgm h ALA 79 Cb 0.74 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3hgm h ALA 79 CO 0.06 0.57 -0.66 1.15 0.00 0.00 0.00 179.25 180.37 3hgm h THR 80 N 1.26 1.35 0.00 0.00 2.02 -1.21 -1.48 112.91 114.84 3hgm h THR 80 Ca 0.35 -1.99 -0.02 0.00 0.77 0.00 0.00 66.41 65.51 3hgm h THR 80 Cb -0.13 1.97 -0.00 0.00 -1.74 0.00 0.00 68.15 68.25 3hgm h THR 80 CO -0.08 0.61 -0.11 -0.33 0.37 0.00 0.00 175.52 175.98 3hgm h GLU 81 N 0.36 0.00 -0.01 6.66 5.08 -0.96 -2.64 114.58 123.07 3hgm h GLU 81 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3hgm h GLU 81 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3hgm h GLU 81 CO 0.12 0.11 -0.30 1.28 -1.00 0.00 0.00 179.01 179.22 3hgm n LEU 82 N -4.26 0.86 0.00 1.33 4.77 -0.60 -4.95 117.00 114.15 3hgm n LEU 82 Ca -0.03 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 3hgm n LEU 82 Cb 0.19 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3hgm n LEU 82 CO 0.34 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 3hgm n GLY 83 N 1.37 1.08 3.71 -0.72 0.00 -0.99 -5.03 105.19 104.61 3hgm n GLY 83 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3hgm n GLY 83 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hgm s VAL 84 N -1.43 4.30 0.52 1.61 1.01 -0.58 -4.98 120.40 120.85 3hgm s VAL 84 Ca 0.00 1.65 -0.22 0.00 0.00 0.00 0.00 61.98 63.41 3hgm s VAL 84 Cb 0.00 -4.06 -0.06 0.00 0.00 0.00 0.00 36.38 32.26 3hgm s VAL 84 CO 0.00 0.13 1.24 -2.65 0.00 0.00 0.00 175.10 173.81 3hgm n PRO 85 N 3.93 1.58 -0.32 2.72 -0.02 -1.26 -3.92 135.00 137.71 3hgm n PRO 85 Ca 0.08 0.58 -0.01 0.00 -2.02 0.00 0.00 63.50 62.13 3hgm n PRO 85 Cb 0.48 -2.41 0.12 0.00 -0.02 0.00 0.00 33.50 31.66 3hgm n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hgm h ALA 86 N 1.42 1.16 0.00 3.55 0.00 -1.94 -2.35 119.26 121.10 3hgm h ALA 86 Ca -0.49 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3hgm h ALA 86 Cb 1.32 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3hgm h ALA 86 CO 0.57 0.40 0.00 -0.40 0.00 0.00 0.00 179.25 179.81 3hgm n ASP 87 N -4.55 0.23 -0.36 0.00 5.75 -1.26 -2.39 116.55 113.97 3hgm n ASP 87 Ca 0.11 0.55 0.12 0.00 -0.01 0.00 0.00 54.79 55.56 3hgm n ASP 87 Cb 0.10 -0.60 0.13 0.00 -1.03 0.00 0.00 41.12 39.72 3hgm n ASP 87 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3hgm n LYS 88 N -1.75 0.96 -3.84 0.11 4.76 -0.89 -4.86 118.16 112.65 3hgm n LYS 88 Ca 0.04 -0.72 -0.36 0.00 -2.87 0.00 0.00 58.31 54.40 3hgm n LYS 88 Cb 0.22 -1.49 -0.12 0.00 -1.84 0.00 0.00 35.03 31.81 3hgm n LYS 88 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3hgm s VAL 89 N -2.54 4.25 -0.20 -0.18 1.01 -1.01 -0.16 120.40 121.57 3hgm s VAL 89 Ca 0.19 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.98 3hgm s VAL 89 Cb 0.18 -2.97 0.04 0.00 0.00 0.00 0.00 36.38 33.64 3hgm s VAL 89 CO 0.58 0.37 -0.10 -0.13 0.00 0.00 0.00 175.10 175.82 3hgm s ARG 90 N 1.40 1.98 -0.12 2.72 0.52 -0.30 -4.98 118.95 120.17 3hgm s ARG 90 Ca 0.05 -0.81 -0.04 0.00 -0.52 0.00 0.00 55.73 54.41 3hgm s ARG 90 Cb -0.15 -2.38 -0.04 0.00 0.52 0.00 0.00 34.95 32.91 3hgm s ARG 90 CO 0.03 -0.42 0.04 0.00 0.02 0.00 0.00 175.30 174.96 3hgm s ALA 91 N 1.42 3.40 0.09 2.13 0.00 -1.26 -0.88 121.76 126.66 3hgm s ALA 91 Ca -0.01 -0.76 0.05 0.00 0.00 0.00 0.00 51.96 51.24 3hgm s ALA 91 Cb -0.16 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.25 3hgm s ALA 91 CO -0.08 0.48 -0.12 -0.06 0.00 0.00 0.00 175.76 175.98 3hgm s PHE 92 N -0.56 1.18 -0.07 0.00 0.08 0.11 -4.95 117.98 113.77 3hgm s PHE 92 Ca 0.10 -0.55 0.02 0.00 0.12 0.00 0.00 56.93 56.62 3hgm s PHE 92 Cb -0.12 -0.64 0.01 0.00 -0.57 0.00 0.00 43.02 41.70 3hgm s PHE 92 CO 0.02 0.05 -0.11 0.08 -0.10 0.00 0.00 175.22 175.16 3hgm s VAL 93 N -1.88 1.08 0.01 -0.44 1.01 -1.26 -1.95 120.40 116.98 3hgm s VAL 93 Ca 0.03 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.58 3hgm s VAL 93 Cb -0.06 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.30 3hgm s VAL 93 CO 0.02 0.35 -0.04 -0.54 0.00 0.00 0.00 175.10 174.88 3hgm s LYS 94 N 0.76 0.31 -0.04 2.72 1.02 -1.00 -5.00 119.74 118.52 3hgm s LYS 94 Ca -0.13 -0.40 -0.15 0.00 0.02 0.00 0.00 55.97 55.32 3hgm s LYS 94 Cb -0.15 -0.14 -0.05 0.00 -0.52 0.00 0.00 37.83 36.96 3hgm s LYS 94 CO 0.03 0.03 0.40 0.20 -0.92 0.00 0.00 175.35 175.08 3hgm s GLY 95 N -0.82 2.43 0.00 -3.33 0.00 -1.26 -1.33 107.32 103.01 3hgm s GLY 95 Ca -0.06 -0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.40 3hgm s GLY 95 CO -0.00 0.25 0.00 0.61 0.00 0.00 0.00 173.10 173.95 3hgm n GLY 96 N 2.19 0.02 3.67 0.20 0.00 0.02 -4.92 105.19 106.37 3hgm n GLY 96 Ca -0.13 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 3hgm n GLY 96 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hgm s ARG 97 N -2.00 4.34 0.11 1.61 0.52 -1.26 -4.27 118.95 117.99 3hgm s ARG 97 Ca 0.00 1.20 -0.28 0.00 -0.52 0.00 0.00 55.73 56.14 3hgm s ARG 97 Cb 0.00 -3.57 -0.09 0.00 0.52 0.00 0.00 34.95 31.81 3hgm s ARG 97 CO 0.00 -0.37 1.63 -1.35 0.02 0.00 0.00 175.30 175.23 3hgm h PRO 98 N 7.27 -0.48 -0.06 3.54 0.11 -1.92 0.19 132.00 140.65 3hgm h PRO 98 Ca -0.28 0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.88 3hgm h PRO 98 Cb 1.13 0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 3hgm h PRO 98 CO 0.87 -0.32 -0.06 0.77 -0.21 0.00 0.00 178.00 179.04 3hgm h SER 99 N -0.50 -0.19 -0.58 -2.05 0.02 -1.93 0.17 113.55 108.48 3hgm h SER 99 Ca 0.03 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3hgm h SER 99 Cb 0.52 0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.13 3hgm h SER 99 CO -0.15 -0.09 0.37 -0.09 -1.14 0.00 0.00 176.83 175.73 3hgm h ARG 100 N -0.09 0.77 -0.45 3.45 2.43 -1.93 -1.62 114.38 116.94 3hgm h ARG 100 Ca 0.05 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 3hgm h ARG 100 Cb 0.15 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3hgm h ARG 100 CO -0.11 0.52 -0.14 1.15 -1.51 0.00 0.00 179.97 179.88 3hgm h THR 101 N 0.78 1.27 0.04 0.20 2.02 -0.24 -1.42 112.91 115.57 3hgm h THR 101 Ca 0.21 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 66.13 3hgm h THR 101 Cb -0.07 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 3hgm h THR 101 CO -0.04 0.43 -0.05 0.40 0.37 0.00 0.00 175.52 176.63 3hgm h ILE 102 N 0.72 0.89 -0.40 3.11 2.04 -0.51 -1.20 117.51 122.16 3hgm h ILE 102 Ca 0.11 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.85 3hgm h ILE 102 Cb 0.69 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 3hgm h ILE 102 CO 0.05 0.00 -0.23 -0.37 0.00 0.00 0.00 178.15 177.60 3hgm h VAL 103 N -0.10 1.27 -0.39 1.67 -1.51 -1.23 -0.65 116.25 115.31 3hgm h VAL 103 Ca 0.01 -1.36 -0.07 0.00 -1.23 0.00 0.00 66.70 64.05 3hgm h VAL 103 Cb 0.11 1.21 -0.01 0.00 -2.13 0.00 0.00 31.29 30.46 3hgm h VAL 103 CO -0.02 0.46 -0.04 -0.09 -1.23 0.00 0.00 177.57 176.65 3hgm h ARG 104 N 0.71 0.72 -0.33 5.19 2.43 -1.24 -2.72 114.38 119.14 3hgm h ARG 104 Ca 0.09 -0.25 -0.02 0.00 -0.81 0.00 0.00 59.98 58.99 3hgm h ARG 104 Cb 0.76 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 3hgm h ARG 104 CO 0.06 0.83 0.12 0.35 -1.51 0.00 0.00 179.97 179.82 3hgm h PHE 105 N 0.54 0.52 -0.84 2.20 3.57 -0.99 -0.89 116.94 121.06 3hgm h PHE 105 Ca 0.11 -0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.61 3hgm h PHE 105 Cb 0.53 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.06 3hgm h PHE 105 CO 0.04 0.51 0.53 0.00 -2.23 0.00 0.00 178.31 177.16 3hgm h ALA 106 N 0.96 1.12 0.28 2.41 0.00 -1.12 -0.60 119.26 122.32 3hgm h ALA 106 Ca 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3hgm h ALA 106 Cb 0.22 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3hgm h ALA 106 CO -0.01 0.31 -0.14 -0.09 0.00 0.00 0.00 179.25 179.33 3hgm h ARG 107 N 0.99 -0.37 -0.60 0.00 2.43 -1.33 0.74 114.38 116.25 3hgm h ARG 107 Ca 0.35 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.63 3hgm h ARG 107 Cb 0.09 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 3hgm h ARG 107 CO -0.14 -0.02 0.40 0.87 -1.51 0.00 0.00 179.97 179.57 3hgm h LYS 108 N -0.85 0.45 -0.25 0.20 1.79 -1.10 -0.89 116.57 115.92 3hgm h LYS 108 Ca -0.04 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 3hgm h LYS 108 Cb 0.52 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 3hgm h LYS 108 CO 0.06 0.30 0.00 -2.13 -1.08 0.00 0.00 179.45 176.60 3hgm n ARG 109 N -4.47 2.13 -3.82 3.15 3.00 -0.24 -4.96 116.66 111.45 3hgm n ARG 109 Ca 0.09 -1.70 -0.27 0.00 -0.00 0.00 0.00 57.85 55.97 3hgm n ARG 109 Cb 0.33 -1.46 0.04 0.00 0.00 0.00 0.00 32.46 31.37 3hgm n ARG 109 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3hgm n GLU 110 N 0.93 -5.75 -2.32 -0.14 1.02 -0.34 -4.96 120.64 109.09 3hgm n GLU 110 Ca 0.17 0.64 -0.38 0.00 -0.02 0.00 0.00 57.16 57.57 3hgm n GLU 110 Cb 0.48 -5.48 -0.02 0.00 -0.02 0.00 0.00 31.44 26.39 3hgm n GLU 110 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hgm n ASP 112 N 0.22 2.23 -3.71 0.00 5.68 -0.31 -4.79 116.55 115.87 3hgm n ASP 112 Ca 0.04 -1.61 -0.12 0.00 -0.50 0.00 0.00 54.79 52.60 3hgm n ASP 112 Cb 0.46 -0.03 -0.10 0.00 -1.14 0.00 0.00 41.12 40.31 3hgm n ASP 112 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 3hgm s LEU 113 N -1.11 0.13 -0.19 -2.12 2.96 -1.20 -4.03 118.68 113.13 3hgm s LEU 113 Ca 0.17 0.89 -0.02 0.00 -0.22 0.00 0.00 54.13 54.95 3hgm s LEU 113 Cb 0.12 1.44 -0.01 0.00 0.50 0.00 0.00 46.19 48.24 3hgm s LEU 113 CO 0.17 -0.17 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.26 3hgm s VAL 114 N 0.76 3.20 -0.29 1.68 1.01 -0.62 -0.26 120.40 125.88 3hgm s VAL 114 Ca -0.04 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.30 3hgm s VAL 114 Cb -0.05 -2.42 0.00 0.00 0.00 0.00 0.00 36.38 33.91 3hgm s VAL 114 CO -0.06 0.46 0.08 -0.69 0.00 0.00 0.00 175.10 174.90 3hgm s VAL 115 N 1.12 4.09 0.05 2.92 1.01 0.60 -0.03 120.40 130.16 3hgm s VAL 115 Ca 0.01 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.47 3hgm s VAL 115 Cb -0.15 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 3hgm s VAL 115 CO -0.02 0.13 -0.14 -0.51 0.00 0.00 0.00 175.10 174.57 3hgm s ILE 116 N 1.53 1.07 0.43 2.22 2.07 -0.11 -3.82 121.20 124.60 3hgm s ILE 116 Ca 0.04 -1.14 -0.25 0.00 -1.41 0.00 0.00 60.65 57.89 3hgm s ILE 116 Cb -0.17 -1.01 -0.08 0.00 0.13 0.00 0.00 42.46 41.33 3hgm s ILE 116 CO 0.03 -0.12 1.25 -0.83 -1.91 0.00 0.00 174.94 173.35 3hgm s GLY 117 N -1.44 2.88 0.22 1.50 0.00 -1.26 -0.89 107.32 108.33 3hgm s GLY 117 Ca -0.01 1.12 -0.02 0.00 0.00 0.00 0.00 44.72 45.81 3hgm s GLY 117 CO 0.02 1.65 1.62 0.00 0.00 0.00 0.00 173.10 176.39 3hgm h ALA 118 N 2.41 0.88 -2.18 3.20 0.00 -1.84 -3.42 119.26 118.31 3hgm h ALA 118 Ca -0.49 -0.40 -0.40 0.00 0.00 0.00 0.00 54.91 53.61 3hgm h ALA 118 Cb 1.25 -0.12 -0.14 0.00 0.00 0.00 0.00 17.79 18.77 3hgm h ALA 118 CO 0.61 0.63 -0.65 -0.65 0.00 0.00 0.00 179.25 179.19 3hgm s GLN 119 N -4.41 1.39 0.00 0.00 -0.21 -1.26 -0.19 119.66 114.99 3hgm s GLN 119 Ca -0.08 -1.72 0.00 0.00 0.02 0.00 0.00 55.36 53.58 3hgm s GLN 119 Cb 0.13 -0.66 0.00 0.00 1.00 0.00 0.00 33.01 33.48 3hgm s GLN 119 CO 0.83 -0.11 0.00 0.41 -2.12 0.00 0.00 175.29 174.30 3hgm n GLY 120 N -0.47 5.63 0.27 3.09 0.00 -1.26 -4.04 105.19 108.42 3hgm n GLY 120 Ca -0.04 -1.00 0.16 0.00 0.00 0.00 0.00 46.02 45.14 3hgm n GLY 120 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hgm h THR 121 N 0.00 0.15 -0.86 2.61 1.35 -1.93 -1.37 112.91 112.86 3hgm h THR 121 Ca 0.00 -0.56 -0.36 0.00 -0.55 0.00 0.00 66.41 64.95 3hgm h THR 121 Cb 0.00 1.48 -0.21 0.00 -1.73 0.00 0.00 68.15 67.68 3hgm h THR 121 CO 0.00 0.05 0.45 0.59 -0.25 0.00 0.00 175.52 176.36 3hgm n ASN 122 N -3.20 4.32 -4.71 5.36 3.02 -1.26 -4.99 115.26 113.81 3hgm n ASN 122 Ca -0.00 -3.41 -0.42 0.00 -0.03 0.00 0.00 54.58 50.72 3hgm n ASN 122 Cb 0.29 -0.79 -0.03 0.00 -0.61 0.00 0.00 39.78 38.64 3hgm n ASN 122 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3hgm s GLY 123 N -1.18 1.99 -0.08 7.41 0.00 -0.52 -4.91 107.32 110.03 3hgm s GLY 123 Ca 0.56 1.01 0.16 0.00 0.00 0.00 0.00 44.72 46.45 3hgm s GLY 123 CO 0.12 2.37 1.48 2.09 0.00 0.00 0.00 173.10 179.16 3hgm n ASP 124 N 4.44 4.01 -3.09 1.64 5.75 -1.26 -4.96 116.55 123.08 3hgm n ASP 124 Ca 0.12 -2.39 -0.22 0.00 -0.01 0.00 0.00 54.79 52.29 3hgm n ASP 124 Cb 0.43 -0.47 0.05 0.00 -1.03 0.00 0.00 41.12 40.11 3hgm n ASP 124 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3hgm n LYS 125 N 0.69 -5.89 -2.97 0.11 5.02 -1.26 -5.01 118.16 108.85 3hgm n LYS 125 Ca 0.21 0.83 -0.11 0.00 -2.02 0.00 0.00 58.31 57.21 3hgm n LYS 125 Cb 0.74 -5.65 -0.03 0.00 -0.02 0.00 0.00 35.03 30.07 3hgm n LYS 125 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3hgm n SER 126 N -2.48 1.96 -0.25 4.39 7.64 -1.26 -5.04 113.62 118.58 3hgm n SER 126 Ca -0.06 -1.83 0.03 0.00 1.01 0.00 0.00 58.87 58.02 3hgm n SER 126 Cb 0.59 0.23 0.11 0.00 -1.01 0.00 0.00 64.21 64.13 3hgm n SER 126 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3hgm n LEU 127 N 0.00 0.72 -4.66 -3.43 4.77 -1.26 -4.88 117.00 108.26 3hgm n LEU 127 Ca -0.06 -0.35 -0.43 0.00 -0.03 0.00 0.00 56.01 55.15 3hgm n LEU 127 Cb 0.24 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 3hgm n LEU 127 CO 0.13 0.18 1.27 -0.76 -1.33 0.00 0.00 177.39 176.87 3hgm s LEU 128 N -1.07 4.26 0.01 2.23 1.43 -1.26 -4.97 118.68 119.32 3hgm s LEU 128 Ca 0.12 2.03 -0.30 0.00 -1.03 0.00 0.00 54.13 54.94 3hgm s LEU 128 Cb 0.06 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 42.69 3hgm s LEU 128 CO 0.08 -0.87 1.27 -0.22 0.23 0.00 0.00 176.35 176.84 3hgm s LEU 129 N 3.87 4.33 0.69 1.79 1.98 -1.26 -4.70 118.68 125.37 3hgm s LEU 129 Ca 0.67 2.01 -0.16 0.00 -2.89 0.00 0.00 54.13 53.75 3hgm s LEU 129 Cb -0.29 -3.57 0.01 0.00 0.66 0.00 0.00 46.19 43.01 3hgm s LEU 129 CO 0.24 -0.59 1.21 -0.83 -1.89 0.00 0.00 176.35 174.49 3hgm s GLY 130 N 1.41 2.46 0.23 7.98 0.00 0.73 -4.83 107.32 115.31 3hgm s GLY 130 Ca 0.60 0.91 0.01 0.00 0.00 0.00 0.00 44.72 46.23 3hgm s GLY 130 CO 0.26 1.31 1.59 1.48 0.00 0.00 0.00 173.10 177.74 3hgm h SER 131 N 0.06 0.49 -0.16 1.64 4.64 -1.94 0.19 113.55 118.47 3hgm h SER 131 Ca -0.48 -0.23 -0.06 0.00 -0.47 0.00 0.00 61.79 60.55 3hgm h SER 131 Cb 1.30 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3hgm h SER 131 CO 0.52 0.88 -0.13 0.58 -0.87 0.00 0.00 176.83 177.81 3hgm h VAL 132 N 0.37 1.33 -0.51 0.95 2.07 -1.95 -2.22 116.25 116.29 3hgm h VAL 132 Ca 0.02 -1.25 0.08 0.00 0.82 0.00 0.00 66.70 66.37 3hgm h VAL 132 Cb 0.95 1.81 -0.07 0.00 -1.52 0.00 0.00 31.29 32.46 3hgm h VAL 132 CO 0.08 0.37 0.13 0.00 0.02 0.00 0.00 177.57 178.17 3hgm h ALA 133 N 0.63 0.60 -0.11 1.67 0.00 -1.78 -0.63 119.26 119.65 3hgm h ALA 133 Ca 0.03 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3hgm h ALA 133 Cb 0.64 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3hgm h ALA 133 CO 0.03 -0.27 -0.03 0.37 0.00 0.00 0.00 179.25 179.35 3hgm h GLN 134 N 0.28 -0.00 -0.44 0.00 4.15 -0.89 -0.46 115.11 117.75 3hgm h GLN 134 Ca 0.25 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.53 3hgm h GLN 134 Cb 0.32 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 3hgm h GLN 134 CO -0.30 -0.00 -0.30 0.00 -1.93 0.00 0.00 178.83 176.30 3hgm h ARG 135 N -0.00 0.97 -0.28 1.69 3.08 -1.11 -2.50 114.38 116.23 3hgm h ARG 135 Ca 0.05 -0.46 -0.07 0.00 0.07 0.00 0.00 59.98 59.57 3hgm h ARG 135 Cb 0.08 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3hgm h ARG 135 CO -0.11 1.13 -0.10 0.28 -1.07 0.00 0.00 179.97 180.10 3hgm h VAL 136 N 0.81 1.29 -1.00 2.04 2.07 -1.05 -1.22 116.25 119.20 3hgm h VAL 136 Ca 0.09 -1.16 0.07 0.00 0.82 0.00 0.00 66.70 66.52 3hgm h VAL 136 Cb 0.89 1.47 -0.07 0.00 -1.52 0.00 0.00 31.29 32.06 3hgm h VAL 136 CO 0.08 0.37 0.65 0.00 0.02 0.00 0.00 177.57 178.68 3hgm h ALA 137 N 0.76 1.39 -0.11 1.67 0.00 -1.04 -0.40 119.26 121.53 3hgm h ALA 137 Ca 0.07 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.74 3hgm h ALA 137 Cb 0.59 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.09 3hgm h ALA 137 CO 0.03 0.43 -0.81 0.78 0.00 0.00 0.00 179.25 179.68 3hgm h GLY 138 N 1.16 0.72 0.00 0.00 0.00 -1.36 -3.39 103.07 100.21 3hgm h GLY 138 Ca 0.44 -1.06 0.00 0.00 0.00 0.00 0.00 47.33 46.70 3hgm h GLY 138 CO -0.18 0.94 -1.69 -1.14 0.00 0.00 0.00 176.54 174.48 3hgm n SER 139 N -3.89 0.68 -4.75 0.19 3.41 -0.47 -5.00 113.62 103.80 3hgm n SER 139 Ca -0.07 -0.17 -0.39 0.00 -0.26 0.00 0.00 58.87 57.98 3hgm n SER 139 Cb 0.76 1.71 0.03 0.00 -0.26 0.00 0.00 64.21 66.45 3hgm n SER 139 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hgm s ALA 140 N -3.22 2.91 -0.41 7.33 0.00 -0.19 -4.91 121.76 123.28 3hgm s ALA 140 Ca -0.04 1.33 0.26 0.00 0.00 0.00 0.00 51.96 53.50 3hgm s ALA 140 Cb 0.13 -3.56 0.66 0.00 0.00 0.00 0.00 23.12 20.35 3hgm s ALA 140 CO 0.79 -1.29 1.72 1.12 0.00 0.00 0.00 175.76 178.10 3hgm h HIS 141 N 1.67 0.00 -1.45 0.00 2.07 -1.90 -3.46 115.15 112.09 3hgm h HIS 141 Ca -0.51 0.00 -0.63 0.00 -2.85 0.00 0.00 60.37 56.38 3hgm h HIS 141 Cb 1.29 0.00 -0.13 0.00 2.57 0.00 0.00 27.41 31.14 3hgm h HIS 141 CO 0.47 0.00 -0.58 0.00 -3.07 0.00 0.00 177.93 174.75 3hgm s PRO 143 N -3.76 3.40 -0.17 0.00 0.02 -1.26 -4.83 135.00 128.41 3hgm s PRO 143 Ca 0.28 2.37 0.01 0.00 0.02 0.00 0.00 61.00 63.67 3hgm s PRO 143 Cb 0.08 -2.46 0.02 0.00 0.02 0.00 0.00 34.50 32.16 3hgm s PRO 143 CO 0.14 -1.03 -0.16 0.08 -0.33 0.00 0.00 177.00 175.70 3hgm s VAL 144 N -1.24 1.81 -0.43 3.83 1.01 -1.26 -1.59 120.40 122.53 3hgm s VAL 144 Ca 0.66 -0.83 -0.20 0.00 0.00 0.00 0.00 61.98 61.62 3hgm s VAL 144 Cb -0.43 -1.69 0.02 0.00 0.00 0.00 0.00 36.38 34.28 3hgm s VAL 144 CO 0.53 0.46 0.58 -0.22 0.00 0.00 0.00 175.10 176.45 3hgm s LEU 145 N 1.38 4.60 -0.37 3.92 2.96 0.96 -4.98 118.68 127.14 3hgm s LEU 145 Ca 0.04 -0.42 -0.18 0.00 -0.22 0.00 0.00 54.13 53.35 3hgm s LEU 145 Cb -0.13 -2.63 0.00 0.00 0.50 0.00 0.00 46.19 43.93 3hgm s LEU 145 CO -0.11 -0.71 0.53 -0.69 -1.32 0.00 0.00 176.35 174.04 3hgm s VAL 146 N 2.62 4.99 -2.24 1.68 1.01 -1.26 -0.94 120.40 126.27 3hgm s VAL 146 Ca 0.20 0.26 0.18 0.00 0.00 0.00 0.00 61.98 62.62 3hgm s VAL 146 Cb -0.15 -4.00 0.14 0.00 0.00 0.00 0.00 36.38 32.37 3hgm s VAL 146 CO 0.17 -0.28 1.07 0.52 0.00 0.00 0.00 175.10 176.58