#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 2.92 -0.18 3.17 0.08 -1.26 -5.00 117.98 117.71 3hgm s PHE 2 Ca 0.00 -0.66 0.17 0.00 0.12 0.00 0.00 56.93 56.56 3hgm s PHE 2 Cb 0.00 -1.96 -0.25 0.00 -0.57 0.00 0.00 43.02 40.24 3hgm s PHE 2 CO 0.00 -0.28 0.16 0.09 -0.10 0.00 0.00 175.22 175.08 3hgm n ASN 3 N 3.96 0.17 -3.56 1.36 3.02 -1.26 -4.26 115.26 114.70 3hgm n ASN 3 Ca -0.18 0.06 -0.27 0.00 -0.03 0.00 0.00 54.58 54.17 3hgm n ASN 3 Cb 0.52 0.81 -0.15 0.00 -0.61 0.00 0.00 39.78 40.35 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 -2.51 0.15 -0.21 3.52 3.52 -1.26 -0.77 118.95 121.39 3hgm s ARG 4 Ca -0.10 -0.30 -0.10 0.00 -0.13 0.00 0.00 55.73 55.10 3hgm s ARG 4 Cb 0.06 -1.39 -0.05 0.00 -1.56 0.00 0.00 34.95 32.02 3hgm s ARG 4 CO 0.83 -0.87 0.15 0.42 -0.81 0.00 0.00 175.30 175.01 3hgm s ILE 5 N 2.14 5.39 -0.13 4.11 1.01 0.42 -1.35 121.20 132.79 3hgm s ILE 5 Ca 0.06 0.20 -0.05 0.00 0.00 0.00 0.00 60.65 60.85 3hgm s ILE 5 Cb -0.16 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 3hgm s ILE 5 CO -0.25 0.40 0.07 -0.32 0.00 0.00 0.00 174.94 174.84 3hgm s MET 6 N 0.63 3.50 -0.28 2.79 -2.45 0.94 -0.14 119.30 124.29 3hgm s MET 6 Ca 0.08 -0.30 0.01 0.00 -1.25 0.00 0.00 55.69 54.23 3hgm s MET 6 Cb -0.12 -3.07 0.08 0.00 1.25 0.00 0.00 34.83 32.97 3hgm s MET 6 CO 0.01 0.57 0.01 0.08 1.05 0.00 0.00 175.02 176.73 3hgm s VAL 7 N -0.46 1.60 0.02 10.11 1.01 0.65 -0.25 120.40 133.08 3hgm s VAL 7 Ca 0.10 -1.57 -0.30 0.00 0.00 0.00 0.00 61.98 60.21 3hgm s VAL 7 Cb -0.12 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 3hgm s VAL 7 CO 0.02 -0.36 1.09 -2.16 0.00 0.00 0.00 175.10 173.69 3hgm s PRO 8 N 1.31 4.48 0.06 2.72 0.04 -1.25 -2.11 135.00 140.25 3hgm s PRO 8 Ca 0.02 1.59 0.07 0.00 0.04 0.00 0.00 61.00 62.72 3hgm s PRO 8 Cb -0.19 -3.42 -0.03 0.00 0.04 0.00 0.00 34.50 30.91 3hgm s PRO 8 CO -0.11 -0.18 -0.19 0.14 0.04 0.00 0.00 177.00 176.71 3hgm s VAL 9 N 1.14 1.52 -0.01 -0.36 -7.23 0.12 -4.67 120.40 110.90 3hgm s VAL 9 Ca 0.55 -1.29 0.01 0.00 -1.81 0.00 0.00 61.98 59.45 3hgm s VAL 9 Cb -0.25 -1.36 0.02 0.00 0.56 0.00 0.00 36.38 35.34 3hgm s VAL 9 CO 0.28 0.04 0.77 -0.90 -0.31 0.00 0.00 175.10 174.98 3hgm n ASP 10 N 1.55 0.95 0.00 4.85 5.75 -1.26 -4.18 116.55 124.21 3hgm n ASP 10 Ca -0.18 -1.59 0.00 0.00 -0.01 0.00 0.00 54.79 53.01 3hgm n ASP 10 Cb 0.54 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 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 -0.29 1.12 3.89 6.12 0.00 -1.26 -4.91 105.19 109.87 3hgm n GLY 11 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.09 6.13 0.37 1.61 1.04 -1.26 -4.98 113.70 113.52 3hgm s SER 12 Ca 0.00 1.09 0.08 0.00 0.48 0.00 0.00 55.95 57.61 3hgm s SER 12 Cb 0.00 -2.25 0.71 0.00 0.10 0.00 0.00 66.02 64.58 3hgm s SER 12 CO 0.00 -0.78 1.88 0.11 0.98 0.00 0.00 173.24 175.43 3hgm h LYS 13 N -0.07 0.28 -0.60 4.02 1.57 -1.92 -2.44 116.57 117.41 3hgm h LYS 13 Ca -0.46 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.20 3hgm h LYS 13 Cb 1.21 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.46 3hgm h LYS 13 CO 0.62 0.44 0.17 0.78 -0.57 0.00 0.00 179.45 180.89 3hgm h GLY 14 N 0.82 0.98 1.96 3.86 0.00 -1.83 -2.38 103.07 106.48 3hgm h GLY 14 Ca 0.05 -0.56 -0.13 0.00 0.00 0.00 0.00 47.33 46.69 3hgm h GLY 14 CO 0.03 0.53 -0.59 0.00 0.00 0.00 0.00 176.54 176.50 3hgm h ALA 15 N 1.30 1.00 -0.49 3.60 0.00 -1.64 -2.04 119.26 120.98 3hgm h ALA 15 Ca 0.20 -0.54 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 3hgm h ALA 15 Cb 0.28 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3hgm h ALA 15 CO -0.01 0.74 0.08 0.28 0.00 0.00 0.00 179.25 180.34 3hgm h VAL 16 N 0.03 1.25 -0.55 0.00 2.07 -1.22 -0.58 116.25 117.26 3hgm h VAL 16 Ca -0.01 -0.92 -0.06 0.00 0.82 0.00 0.00 66.70 66.53 3hgm h VAL 16 Cb 1.06 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 3hgm h VAL 16 CO 0.08 0.33 0.11 0.11 0.02 0.00 0.00 177.57 178.22 3hgm h LYS 17 N 0.69 0.86 -0.39 1.57 1.79 -1.26 -1.60 116.57 118.21 3hgm h LYS 17 Ca 0.15 -0.19 -0.04 0.00 -2.18 0.00 0.00 60.65 58.40 3hgm h LYS 17 Cb 0.39 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.90 3hgm h LYS 17 CO 0.01 0.78 0.10 0.00 -1.08 0.00 0.00 179.45 179.26 3hgm h ALA 18 N 1.30 0.52 -0.64 3.86 0.00 -1.23 -2.52 119.26 120.56 3hgm h ALA 18 Ca 0.18 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3hgm h ALA 18 Cb 0.33 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3hgm h ALA 18 CO 0.00 0.19 0.40 1.25 0.00 0.00 0.00 179.25 181.09 3hgm h LEU 19 N 0.49 0.65 -0.86 0.00 5.85 -0.79 0.80 115.31 121.46 3hgm h LEU 19 Ca 0.12 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3hgm h LEU 19 Cb 0.30 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 3hgm h LEU 19 CO 0.00 0.45 0.50 -0.33 -0.34 0.00 0.00 178.44 178.73 3hgm h GLU 20 N 0.78 1.18 -0.45 1.25 5.08 -1.19 0.24 114.58 121.46 3hgm h GLU 20 Ca 0.26 -0.12 -0.14 0.00 -1.00 0.00 0.00 59.36 58.36 3hgm h GLU 20 Cb 0.01 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 3hgm h GLU 20 CO -0.10 0.84 -0.26 0.87 -1.00 0.00 0.00 179.01 179.36 3hgm h LYS 21 N 1.19 0.96 -0.79 2.33 1.79 -1.04 -1.57 116.57 119.43 3hgm h LYS 21 Ca 0.31 -0.43 0.03 0.00 -2.18 0.00 0.00 60.65 58.38 3hgm h LYS 21 Cb -0.02 -0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 30.56 3hgm h LYS 21 CO -0.05 1.09 0.51 0.78 -1.08 0.00 0.00 179.45 180.70 3hgm h GLY 22 N 0.87 1.14 1.01 3.86 0.00 -0.26 -1.56 103.07 108.13 3hgm h GLY 22 Ca 0.10 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 3hgm h GLY 22 CO 0.07 0.34 0.20 -2.08 0.00 0.00 0.00 176.54 175.07 3hgm h VAL 23 N 0.99 1.24 -0.51 4.60 2.07 -0.41 0.36 116.25 124.59 3hgm h VAL 23 Ca 0.31 -0.80 0.08 0.00 0.82 0.00 0.00 66.70 67.11 3hgm h VAL 23 Cb -0.01 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 30.31 3hgm h VAL 23 CO -0.11 0.31 0.15 1.23 0.02 0.00 0.00 177.57 179.17 3hgm h GLY 24 N 0.86 0.66 1.76 2.17 0.00 -0.83 -0.88 103.07 106.82 3hgm h GLY 24 Ca 0.20 -0.07 -0.15 0.00 0.00 0.00 0.00 47.33 47.31 3hgm h GLY 24 CO -0.01 -0.03 -0.61 1.41 0.00 0.00 0.00 176.54 177.30 3hgm h LEU 25 N 0.31 0.28 -0.30 3.11 3.38 -1.05 -2.49 115.31 118.55 3hgm h LEU 25 Ca 0.25 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3hgm h LEU 25 Cb 0.31 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3hgm h LEU 25 CO -0.29 0.82 0.18 -0.61 0.09 0.00 0.00 178.44 178.63 3hgm h GLN 26 N 0.18 0.40 -0.58 1.13 -0.00 -0.45 -1.38 115.11 114.41 3hgm h GLN 26 Ca -0.01 -0.03 -0.07 0.00 -0.00 0.00 0.00 58.65 58.54 3hgm h GLN 26 Cb 1.11 -0.09 -0.02 0.00 0.00 0.00 0.00 27.48 28.48 3hgm h GLN 26 CO 0.09 0.30 0.08 1.96 0.00 0.00 0.00 178.83 181.27 3hgm h GLN 27 N 0.39 0.94 -0.41 1.69 1.08 -1.09 0.88 115.11 118.59 3hgm h GLN 27 Ca 0.11 -0.23 -0.10 0.00 -1.45 0.00 0.00 58.65 56.97 3hgm h GLN 27 Cb -0.00 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.30 3hgm h GLN 27 CO -0.02 0.88 -0.14 1.25 -0.95 0.00 0.00 178.83 179.85 3hgm h LEU 28 N 0.89 0.83 0.00 1.46 5.85 -1.31 -3.33 115.31 119.69 3hgm h LEU 28 Ca 0.18 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.52 3hgm h LEU 28 Cb 0.40 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.21 3hgm h LEU 28 CO 0.01 1.02 -1.62 0.35 -0.34 0.00 0.00 178.44 177.86 3hgm n THR 29 N -4.28 0.00 -1.92 1.05 -2.24 -0.53 -4.99 114.28 101.37 3hgm n THR 29 Ca -0.01 -0.33 -0.11 0.00 -2.27 0.00 0.00 64.05 61.33 3hgm n THR 29 Cb 0.39 0.35 -0.02 0.00 -2.10 0.00 0.00 70.33 68.95 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 1.37 0.35 3.79 3.38 0.00 0.30 -4.81 105.19 109.58 3hgm n GLY 30 Ca -0.01 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.52 2.01 0.40 4.61 0.00 -1.14 -5.04 121.76 120.08 3hgm s ALA 31 Ca 0.00 -0.35 -0.23 0.00 0.00 0.00 0.00 51.96 51.39 3hgm s ALA 31 Cb 0.00 -3.08 -0.10 0.00 0.00 0.00 0.00 23.12 19.95 3hgm s ALA 31 CO 0.00 -2.00 0.99 -1.21 0.00 0.00 0.00 175.76 173.54 3hgm s GLU 32 N -5.20 4.24 -0.19 0.00 2.02 0.05 -4.92 118.70 114.70 3hgm s GLU 32 Ca 0.62 1.31 0.01 0.00 0.02 0.00 0.00 54.97 56.92 3hgm s GLU 32 Cb -0.15 -2.42 0.02 0.00 0.10 0.00 0.00 34.13 31.68 3hgm s GLU 32 CO 0.54 -0.04 -0.18 -1.17 0.02 0.00 0.00 175.26 174.43 3hgm s LEU 33 N -2.80 2.25 -0.20 1.80 2.96 0.26 -0.43 118.68 122.52 3hgm s LEU 33 Ca 0.59 -0.65 -0.04 0.00 -0.22 0.00 0.00 54.13 53.80 3hgm s LEU 33 Cb -0.16 -1.51 -0.02 0.00 0.50 0.00 0.00 46.19 45.01 3hgm s LEU 33 CO 0.20 -0.01 -0.02 -0.31 -1.32 0.00 0.00 176.35 174.89 3hgm s TYR 34 N 1.30 3.00 -0.15 5.38 1.51 0.80 -1.12 117.35 128.08 3hgm s TYR 34 Ca 0.05 -0.59 -0.03 0.00 -1.01 0.00 0.00 57.07 55.48 3hgm s TYR 34 Cb -0.13 -2.07 -0.02 0.00 -0.11 0.00 0.00 41.96 39.62 3hgm s TYR 34 CO -0.12 -0.32 -0.05 0.42 -1.11 0.00 0.00 175.55 174.37 3hgm s ILE 35 N 1.07 3.75 -0.07 2.71 1.01 0.45 -0.25 121.20 129.88 3hgm s ILE 35 Ca 0.02 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.28 3hgm s ILE 35 Cb -0.14 -2.64 0.02 0.00 0.01 0.00 0.00 42.46 39.70 3hgm s ILE 35 CO 0.01 0.50 -0.10 -0.22 0.00 0.00 0.00 174.94 175.12 3hgm s LEU 36 N 0.39 1.53 -0.15 2.97 2.96 -0.90 0.64 118.68 126.12 3hgm s LEU 36 Ca -0.05 -0.27 0.01 0.00 -0.22 0.00 0.00 54.13 53.61 3hgm s LEU 36 Cb -0.14 -0.76 0.01 0.00 0.50 0.00 0.00 46.19 45.80 3hgm s LEU 36 CO 0.03 -0.00 -0.18 0.00 -1.32 0.00 0.00 176.35 174.88 3hgm s VAL 38 N 0.89 5.26 0.05 0.00 1.01 -1.26 -2.07 120.40 124.28 3hgm s VAL 38 Ca -0.04 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.11 3hgm s VAL 38 Cb -0.15 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 3hgm s VAL 38 CO -0.03 0.44 -0.04 0.72 0.00 0.00 0.00 175.10 176.20 3hgm s PHE 39 N 0.39 2.93 -0.60 5.22 -0.12 -0.55 -4.94 117.98 120.32 3hgm s PHE 39 Ca 0.07 -0.03 -0.18 0.00 -0.05 0.00 0.00 56.93 56.74 3hgm s PHE 39 Cb -0.11 -1.57 0.12 0.00 -0.63 0.00 0.00 43.02 40.83 3hgm s PHE 39 CO -0.01 0.43 0.66 0.15 -0.05 0.00 0.00 175.22 176.40 3hgm s LYS 40 N -1.84 3.08 0.27 1.99 1.02 -1.26 -1.76 119.74 121.23 3hgm s LYS 40 Ca 0.21 -1.52 0.07 0.00 0.02 0.00 0.00 55.97 54.75 3hgm s LYS 40 Cb -0.11 -4.31 0.36 0.00 -0.52 0.00 0.00 37.83 33.25 3hgm s LYS 40 CO 0.12 -1.47 1.63 1.12 -0.92 0.00 0.00 175.35 175.83 3hgm h HIS 41 N 9.01 0.22 0.00 3.18 2.07 -1.95 -3.49 115.15 124.19 3hgm h HIS 41 Ca -0.26 -0.08 0.00 0.00 -2.85 0.00 0.00 60.37 57.18 3hgm h HIS 41 Cb 1.09 -0.04 0.00 0.00 2.57 0.00 0.00 27.41 31.02 3hgm h HIS 41 CO 0.82 0.68 0.00 0.00 -3.07 0.00 0.00 177.93 176.36 3hgm n ALA 47 N -2.46 0.00 -1.50 6.11 0.00 -1.26 -5.01 120.51 116.39 3hgm n ALA 47 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.12 3hgm n ALA 47 Cb 0.56 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.09 3hgm n ALA 47 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hgm n SER 48 N 0.00 6.53 -4.89 0.00 3.41 -1.26 -4.99 113.62 112.42 3hgm n SER 48 Ca 0.00 -3.77 -0.36 0.00 -0.26 0.00 0.00 58.87 54.48 3hgm n SER 48 Cb 0.00 -0.80 -0.06 0.00 -0.26 0.00 0.00 64.21 63.10 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 -3.71 4.38 0.25 1.04 1.02 -1.26 -5.00 118.68 115.40 3hgm s LEU 49 Ca 0.60 0.42 0.13 0.00 0.02 0.00 0.00 54.13 55.30 3hgm s LEU 49 Cb 0.48 -2.26 0.20 0.00 0.02 0.00 0.00 46.19 44.63 3hgm s LEU 49 CO 0.01 0.36 1.51 0.77 0.02 0.00 0.00 176.35 179.01 3hgm h SER 50 N 4.56 0.00 -4.90 2.29 4.64 -2.08 -3.45 113.55 114.61 3hgm h SER 50 Ca -0.53 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.58 3hgm h SER 50 Cb 1.21 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.10 3hgm h SER 50 CO 0.62 0.64 -0.71 0.00 -0.87 0.00 0.00 176.83 176.51 3hgm s MET 51 N -3.19 0.41 0.53 4.77 0.00 -1.26 -5.15 119.30 115.41 3hgm s MET 51 Ca 0.01 -0.69 -0.22 0.00 0.00 0.00 0.00 55.69 54.79 3hgm s MET 51 Cb 0.10 -0.04 -0.05 0.00 0.00 0.00 0.00 34.83 34.84 3hgm s MET 51 CO 0.76 -0.01 1.30 0.00 0.00 0.00 0.00 175.02 177.06 3hgm s ALA 52 N -1.52 2.82 0.39 3.16 0.00 -1.26 -4.98 121.76 120.39 3hgm s ALA 52 Ca -0.13 1.20 -0.26 0.00 0.00 0.00 0.00 51.96 52.78 3hgm s ALA 52 Cb -0.09 -3.51 -0.09 0.00 0.00 0.00 0.00 23.12 19.43 3hgm s ALA 52 CO -0.01 -1.18 1.26 1.03 0.00 0.00 0.00 175.76 176.86 3hgm s ARG 53 N -2.90 4.04 0.48 0.00 0.52 -1.26 -4.97 118.95 114.86 3hgm s ARG 53 Ca 0.70 2.07 -0.24 0.00 -0.52 0.00 0.00 55.73 57.74 3hgm s ARG 53 Cb -0.37 -2.77 -0.07 0.00 0.52 0.00 0.00 34.95 32.26 3hgm s ARG 53 CO 0.43 -0.41 1.38 -2.14 0.02 0.00 0.00 175.30 174.59 3hgm s PRO 54 N -2.20 3.50 0.37 3.54 0.02 -1.26 -4.89 135.00 134.08 3hgm s PRO 54 Ca 0.56 2.30 0.09 0.00 0.02 0.00 0.00 61.00 63.97 3hgm s PRO 54 Cb -0.36 -2.50 0.83 0.00 0.02 0.00 0.00 34.50 32.49 3hgm s PRO 54 CO 0.46 -0.93 1.91 1.49 -0.33 0.00 0.00 177.00 179.60 3hgm h GLU 55 N 2.00 0.65 -0.98 5.54 4.81 -2.06 -1.14 114.58 123.41 3hgm h GLU 55 Ca -0.51 -0.04 0.23 0.00 -0.13 0.00 0.00 59.36 58.91 3hgm h GLU 55 Cb 1.28 -0.15 -0.08 0.00 0.63 0.00 0.00 28.75 30.43 3hgm h GLU 55 CO 0.60 0.43 0.63 0.37 -0.73 0.00 0.00 179.01 180.31 3hgm h GLN 56 N 0.67 0.45 -6.13 1.92 4.15 -2.04 -3.52 115.11 110.61 3hgm h GLN 56 Ca 0.39 -0.03 -0.57 0.00 0.77 0.00 0.00 58.65 59.22 3hgm h GLN 56 Cb 0.59 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 28.13 3hgm h GLN 56 CO -0.16 0.30 0.56 -0.51 -1.93 0.00 0.00 178.83 177.10 3hgm s LEU 57 N -9.66 4.20 -0.13 -2.39 1.43 -0.44 -5.28 118.68 106.41 3hgm s LEU 57 Ca -0.09 1.40 0.02 0.00 -1.03 0.00 0.00 54.13 54.43 3hgm s LEU 57 Cb 0.24 -3.46 0.01 0.00 0.03 0.00 0.00 46.19 43.02 3hgm s LEU 57 CO 0.79 -0.48 -0.18 -2.84 0.23 0.00 0.00 176.35 173.87 3hgm s PRO 60 N 2.29 2.61 0.40 1.29 0.02 -1.26 -5.04 135.00 135.31 3hgm s PRO 60 Ca 0.45 -0.70 0.11 0.00 0.02 0.00 0.00 61.00 60.87 3hgm s PRO 60 Cb -0.17 -2.18 0.84 0.00 0.02 0.00 0.00 34.50 33.01 3hgm s PRO 60 CO 0.14 -0.06 1.93 -0.44 -0.33 0.00 0.00 177.00 178.24 3hgm h ASP 61 N 7.45 0.16 -0.01 2.53 5.19 -2.00 -2.28 116.42 127.47 3hgm h ASP 61 Ca -0.33 -0.03 -0.09 0.00 -0.62 0.00 0.00 57.03 55.96 3hgm h ASP 61 Cb 1.18 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.63 3hgm h ASP 61 CO 0.53 0.33 -0.25 -2.24 -3.12 0.00 0.00 179.24 174.49 3hgm h ASP 62 N 0.16 0.43 -0.35 6.45 -0.00 -2.02 -1.63 116.42 119.46 3hgm h ASP 62 Ca 0.03 -0.14 -0.05 0.00 -0.00 0.00 0.00 57.03 56.87 3hgm h ASP 62 Cb 0.37 -0.12 -0.01 0.00 -0.00 0.00 0.00 39.33 39.57 3hgm h ASP 62 CO 0.02 0.68 0.02 0.00 -0.00 0.00 0.00 179.24 179.96 3hgm h ALA 63 N 1.36 0.47 -0.36 4.15 0.00 -1.84 0.15 119.26 123.18 3hgm h ALA 63 Ca 0.06 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 3hgm h ALA 63 Cb 0.65 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3hgm h ALA 63 CO 0.05 0.21 -0.21 -0.07 0.00 0.00 0.00 179.25 179.22 3hgm h LEU 64 N 0.42 0.70 -0.18 0.00 3.38 -1.43 -0.77 115.31 117.44 3hgm h LEU 64 Ca 0.10 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 3hgm h LEU 64 Cb 0.42 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3hgm h LEU 64 CO 0.01 0.91 -0.00 0.50 0.09 0.00 0.00 178.44 179.95 3hgm h LYS 65 N 0.61 0.32 -0.90 1.13 3.64 -1.17 -0.75 116.57 119.44 3hgm h LYS 65 Ca 0.09 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 3hgm h LYS 65 Cb 0.70 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.44 3hgm h LYS 65 CO 0.05 0.53 0.60 -0.44 -2.27 0.00 0.00 179.45 177.92 3hgm h ASP 66 N 0.06 0.99 -0.29 4.20 3.32 -0.57 0.87 116.42 125.00 3hgm h ASP 66 Ca 0.05 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.03 3hgm h ASP 66 Cb 0.39 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3hgm h ASP 66 CO 0.01 0.69 -0.04 0.22 -1.72 0.00 0.00 179.24 178.39 3hgm h TYR 67 N 1.15 0.60 -0.87 4.55 3.20 -1.02 -1.20 116.97 123.39 3hgm h TYR 67 Ca 0.35 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 62.10 3hgm h TYR 67 Cb -0.01 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.06 3hgm h TYR 67 CO -0.00 0.72 0.55 0.00 -1.64 0.00 0.00 178.16 177.78 3hgm h ALA 68 N 0.80 1.32 -0.46 1.82 0.00 -0.73 -1.14 119.26 120.88 3hgm h ALA 68 Ca 0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3hgm h ALA 68 Cb 0.51 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3hgm h ALA 68 CO 0.02 0.60 0.21 1.15 0.00 0.00 0.00 179.25 181.23 3hgm h THR 69 N 1.19 1.19 -0.74 0.00 2.02 -0.63 -0.55 112.91 115.40 3hgm h THR 69 Ca 0.31 -0.56 0.05 0.00 0.77 0.00 0.00 66.41 66.98 3hgm h THR 69 Cb -0.09 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 66.99 3hgm h THR 69 CO -0.06 0.21 0.45 -0.08 0.37 0.00 0.00 175.52 176.41 3hgm h GLU 70 N 0.59 0.82 -0.29 6.66 4.57 -0.75 -0.52 114.58 125.67 3hgm h GLU 70 Ca 0.16 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 3hgm h GLU 70 Cb 0.14 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 3hgm h GLU 70 CO -0.02 0.54 0.10 0.82 -1.18 0.00 0.00 179.01 179.27 3hgm h ILE 71 N 0.85 1.19 -0.33 2.32 2.04 -0.91 -1.61 117.51 121.06 3hgm h ILE 71 Ca 0.31 -0.61 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 3hgm h ILE 71 Cb 0.10 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3hgm h ILE 71 CO -0.15 0.21 0.08 0.00 0.00 0.00 0.00 178.15 178.29 3hgm h ALA 72 N 0.93 0.43 -0.55 1.87 0.00 -0.79 -1.45 119.26 119.70 3hgm h ALA 72 Ca 0.09 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3hgm h ALA 72 Cb 0.22 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3hgm h ALA 72 CO -0.00 0.09 0.16 0.28 0.00 0.00 0.00 179.25 179.78 3hgm h VAL 73 N 0.37 1.24 -0.59 0.00 2.07 -1.10 -0.97 116.25 117.28 3hgm h VAL 73 Ca 0.10 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 3hgm h VAL 73 Cb 0.29 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 3hgm h VAL 73 CO 0.00 0.31 0.34 -0.61 0.02 0.00 0.00 177.57 177.62 3hgm h GLN 74 N 0.77 0.81 -0.59 1.57 5.75 -1.20 0.24 115.11 122.46 3hgm h GLN 74 Ca 0.18 -0.09 -0.06 0.00 -0.15 0.00 0.00 58.65 58.53 3hgm h GLN 74 Cb 0.31 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.67 3hgm h GLN 74 CO -0.00 0.60 0.12 0.00 -2.65 0.00 0.00 178.83 176.90 3hgm h ALA 75 N 1.16 0.78 -0.43 3.38 0.00 -1.04 0.28 119.26 123.39 3hgm h ALA 75 Ca 0.21 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3hgm h ALA 75 Cb 0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3hgm h ALA 75 CO -0.04 0.52 0.24 -0.22 0.00 0.00 0.00 179.25 179.75 3hgm h LYS 76 N 0.87 0.60 -0.66 0.00 3.64 -0.98 -0.56 116.57 119.48 3hgm h LYS 76 Ca 0.18 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3hgm h LYS 76 Cb 0.39 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 3hgm h LYS 76 CO 0.01 0.47 0.39 1.15 -2.27 0.00 0.00 179.45 179.20 3hgm h THR 77 N 0.57 1.19 -0.43 1.00 2.02 -0.70 -2.50 112.91 114.07 3hgm h THR 77 Ca 0.15 -0.43 -0.11 0.00 0.77 0.00 0.00 66.41 66.79 3hgm h THR 77 Cb 0.04 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 3hgm h THR 77 CO -0.03 0.20 -0.19 -0.09 0.37 0.00 0.00 175.52 175.78 3hgm h ARG 78 N 0.90 0.84 -0.89 6.66 9.65 -0.71 -1.89 114.38 128.93 3hgm h ARG 78 Ca 0.24 -0.33 0.05 0.00 -1.10 0.00 0.00 59.98 58.84 3hgm h ARG 78 Cb -0.02 -0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 28.46 3hgm h ARG 78 CO -0.04 0.96 0.57 0.00 2.80 0.00 0.00 179.97 184.25 3hgm h ALA 79 N 1.04 1.20 -0.13 2.80 0.00 -0.83 -1.27 119.26 122.07 3hgm h ALA 79 Ca 0.11 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 3hgm h ALA 79 Cb 0.72 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3hgm h ALA 79 CO 0.06 0.37 -0.63 1.15 0.00 0.00 0.00 179.25 180.20 3hgm h THR 80 N 1.07 1.35 -0.40 0.00 2.02 -1.21 -0.91 112.91 114.83 3hgm h THR 80 Ca 0.37 -1.94 -0.02 0.00 0.77 0.00 0.00 66.41 65.59 3hgm h THR 80 Cb 0.09 1.93 -0.02 0.00 -1.74 0.00 0.00 68.15 68.40 3hgm h THR 80 CO -0.15 0.59 0.17 -0.33 0.37 0.00 0.00 175.52 176.17 3hgm h GLU 81 N 0.35 0.56 -0.00 6.66 5.08 -0.92 -2.31 114.58 123.99 3hgm h GLU 81 Ca -0.01 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3hgm h GLU 81 Cb 1.18 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3hgm h GLU 81 CO 0.11 0.46 -0.12 1.28 -1.00 0.00 0.00 179.01 179.74 3hgm n LEU 82 N -4.39 0.48 0.00 1.33 4.77 -0.52 -4.91 117.00 113.76 3hgm n LEU 82 Ca 0.03 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 3hgm n LEU 82 Cb 0.14 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 3hgm n LEU 82 CO 0.37 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 3hgm n GLY 83 N 1.29 0.65 3.69 -0.72 0.00 -0.87 -5.02 105.19 104.21 3hgm n GLY 83 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.42 4.36 0.34 1.61 1.01 -0.38 -4.97 120.40 120.95 3hgm s VAL 84 Ca 0.00 1.68 -0.28 0.00 0.00 0.00 0.00 61.98 63.38 3hgm s VAL 84 Cb 0.00 -4.08 -0.13 0.00 0.00 0.00 0.00 36.38 32.18 3hgm s VAL 84 CO 0.00 0.00 1.21 -2.65 0.00 0.00 0.00 175.10 173.67 3hgm n PRO 85 N 5.11 1.91 -0.24 2.72 -0.02 -1.26 -3.97 135.00 139.25 3hgm n PRO 85 Ca 0.10 0.67 0.08 0.00 -2.02 0.00 0.00 63.50 62.33 3hgm n PRO 85 Cb 0.47 -2.21 0.34 0.00 -0.02 0.00 0.00 33.50 32.08 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 2.36 1.72 0.00 3.55 0.00 -1.93 -1.40 119.26 123.56 3hgm h ALA 86 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3hgm h ALA 86 Cb 1.30 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3hgm h ALA 86 CO 0.62 0.11 0.00 -0.40 0.00 0.00 0.00 179.25 179.58 3hgm n ASP 87 N -4.51 0.15 0.05 0.00 5.68 -1.26 -3.04 116.55 113.62 3hgm n ASP 87 Ca 0.14 0.52 0.12 0.00 -0.50 0.00 0.00 54.79 55.06 3hgm n ASP 87 Cb 0.32 -0.56 0.13 0.00 -1.14 0.00 0.00 41.12 39.87 3hgm n ASP 87 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3hgm n LYS 88 N -1.64 0.28 -4.52 0.11 4.76 -0.53 -4.87 118.16 111.74 3hgm n LYS 88 Ca 0.06 0.05 -0.33 0.00 -2.87 0.00 0.00 58.31 55.22 3hgm n LYS 88 Cb 0.34 -1.65 -0.14 0.00 -1.84 0.00 0.00 35.03 31.73 3hgm n LYS 88 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3hgm s VAL 89 N -3.17 3.08 -0.05 -0.18 0.11 -1.17 -0.57 120.40 118.45 3hgm s VAL 89 Ca 0.06 -0.63 0.05 0.00 -2.93 0.00 0.00 61.98 58.52 3hgm s VAL 89 Cb 0.14 -2.32 -0.01 0.00 -1.53 0.00 0.00 36.38 32.66 3hgm s VAL 89 CO 0.74 0.50 -0.20 -0.13 -3.33 0.00 0.00 175.10 172.68 3hgm s ARG 90 N 0.67 2.06 -0.10 1.54 0.52 -0.27 -4.94 118.95 118.43 3hgm s ARG 90 Ca -0.06 -0.73 -0.04 0.00 -0.52 0.00 0.00 55.73 54.38 3hgm s ARG 90 Cb -0.15 -1.78 -0.04 0.00 0.52 0.00 0.00 34.95 33.50 3hgm s ARG 90 CO 0.02 0.31 0.06 0.00 0.02 0.00 0.00 175.30 175.71 3hgm s ALA 91 N -0.07 3.53 0.02 2.13 0.00 -1.26 -0.41 121.76 125.70 3hgm s ALA 91 Ca -0.03 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 51.23 3hgm s ALA 91 Cb -0.12 -1.69 -0.01 0.00 0.00 0.00 0.00 23.12 21.29 3hgm s ALA 91 CO 0.03 0.59 -0.10 -0.06 0.00 0.00 0.00 175.76 176.21 3hgm s PHE 92 N -0.90 0.88 -0.09 0.00 0.08 0.21 -4.93 117.98 113.23 3hgm s PHE 92 Ca 0.14 -0.28 0.02 0.00 0.12 0.00 0.00 56.93 56.93 3hgm s PHE 92 Cb -0.12 -0.54 0.01 0.00 -0.57 0.00 0.00 43.02 41.81 3hgm s PHE 92 CO 0.03 -0.01 -0.15 0.08 -0.10 0.00 0.00 175.22 175.06 3hgm s VAL 93 N -0.65 1.43 0.03 -0.44 1.01 -1.26 -1.42 120.40 119.10 3hgm s VAL 93 Ca -0.00 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.36 3hgm s VAL 93 Cb -0.06 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 3hgm s VAL 93 CO 0.00 0.42 -0.06 -0.54 0.00 0.00 0.00 175.10 174.93 3hgm s LYS 94 N 0.71 0.44 -0.08 2.72 1.02 -0.88 -4.99 119.74 118.69 3hgm s LYS 94 Ca -0.13 -0.60 -0.10 0.00 0.02 0.00 0.00 55.97 55.16 3hgm s LYS 94 Cb -0.16 -0.22 -0.05 0.00 -0.52 0.00 0.00 37.83 36.88 3hgm s LYS 94 CO 0.03 0.04 0.25 0.20 -0.92 0.00 0.00 175.35 174.95 3hgm s GLY 95 N -1.25 2.29 0.00 -3.33 0.00 -1.26 -1.48 107.32 102.29 3hgm s GLY 95 Ca -0.09 -0.47 0.00 0.00 0.00 0.00 0.00 44.72 44.17 3hgm s GLY 95 CO 0.00 -0.12 0.00 0.61 0.00 0.00 0.00 173.10 173.59 3hgm n GLY 96 N 2.02 0.45 3.60 0.20 0.00 -0.72 -4.94 105.19 105.80 3hgm n GLY 96 Ca -0.17 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 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 3.87 0.13 1.61 0.52 -1.26 -4.33 118.95 117.49 3hgm s ARG 97 Ca 0.00 0.52 -0.32 0.00 -0.52 0.00 0.00 55.73 55.41 3hgm s ARG 97 Cb 0.00 -3.77 -0.10 0.00 0.52 0.00 0.00 34.95 31.60 3hgm s ARG 97 CO 0.00 -0.81 1.55 -1.35 0.02 0.00 0.00 175.30 174.71 3hgm h PRO 98 N 8.32 -0.40 -0.33 3.54 0.11 -1.92 0.54 132.00 141.84 3hgm h PRO 98 Ca -0.24 0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.91 3hgm h PRO 98 Cb 1.09 0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3hgm h PRO 98 CO 0.92 -0.27 0.20 0.66 -0.21 0.00 0.00 178.00 179.31 3hgm h SER 99 N -0.42 0.34 -0.25 -2.05 4.64 -1.93 0.96 113.55 114.83 3hgm h SER 99 Ca 0.08 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.37 3hgm h SER 99 Cb 0.61 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 3hgm h SER 99 CO -0.57 0.25 0.06 -0.09 -0.87 0.00 0.00 176.83 175.61 3hgm h ARG 100 N 0.42 0.41 -0.47 4.77 9.65 -1.84 -2.03 114.38 125.29 3hgm h ARG 100 Ca 0.13 -0.10 -0.02 0.00 -1.10 0.00 0.00 59.98 58.89 3hgm h ARG 100 Cb -0.02 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.49 3hgm h ARG 100 CO -0.05 0.51 0.23 1.15 2.80 0.00 0.00 179.97 184.61 3hgm h THR 101 N 0.24 1.18 -0.22 0.20 2.02 0.32 0.23 112.91 116.87 3hgm h THR 101 Ca 0.08 -0.51 0.04 0.00 0.77 0.00 0.00 66.41 66.79 3hgm h THR 101 Cb 0.28 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 3hgm h THR 101 CO 0.00 0.20 0.01 0.40 0.37 0.00 0.00 175.52 176.50 3hgm h ILE 102 N 0.61 0.86 -0.24 3.11 2.04 -0.77 0.59 117.51 123.71 3hgm h ILE 102 Ca 0.16 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.97 3hgm h ILE 102 Cb 0.10 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 3hgm h ILE 102 CO -0.02 0.02 0.06 0.58 0.00 0.00 0.00 178.15 178.79 3hgm h VAL 103 N 0.08 1.21 -0.50 1.67 2.07 -1.17 -0.76 116.25 118.85 3hgm h VAL 103 Ca 0.10 -0.67 0.08 0.00 0.82 0.00 0.00 66.70 67.03 3hgm h VAL 103 Cb 0.12 1.19 -0.06 0.00 -1.52 0.00 0.00 31.29 31.02 3hgm h VAL 103 CO -0.17 0.21 0.14 -0.09 0.02 0.00 0.00 177.57 177.69 3hgm h ARG 104 N 0.21 0.29 -0.19 1.57 2.43 -0.26 -2.05 114.38 116.38 3hgm h ARG 104 Ca 0.08 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3hgm h ARG 104 Cb 0.27 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 3hgm h ARG 104 CO 0.00 0.19 0.12 0.35 -1.51 0.00 0.00 179.97 179.12 3hgm h PHE 105 N 0.30 0.24 -0.97 2.20 3.57 0.44 -1.70 116.94 121.02 3hgm h PHE 105 Ca 0.25 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.78 3hgm h PHE 105 Cb 0.30 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.90 3hgm h PHE 105 CO -0.19 0.16 0.63 0.00 -2.23 0.00 0.00 178.31 176.69 3hgm h ALA 106 N 1.06 1.27 0.33 2.41 0.00 -0.81 -0.68 119.26 122.84 3hgm h ALA 106 Ca 0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3hgm h ALA 106 Cb -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.43 3hgm h ALA 106 CO -0.01 0.53 -0.16 -0.09 0.00 0.00 0.00 179.25 179.52 3hgm h ARG 107 N 1.24 -0.42 -0.29 0.00 2.43 -1.24 -2.18 114.38 113.92 3hgm h ARG 107 Ca 0.38 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.64 3hgm h ARG 107 Cb -0.02 0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.56 3hgm h ARG 107 CO -0.12 -0.09 -0.13 0.87 -1.51 0.00 0.00 179.97 178.99 3hgm h LYS 108 N -0.85 -0.08 0.00 0.20 1.57 -1.16 -2.64 116.57 113.61 3hgm h LYS 108 Ca -0.04 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3hgm h LYS 108 Cb 0.52 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3hgm h LYS 108 CO 0.07 -0.05 0.00 0.54 -0.57 0.00 0.00 179.45 179.44 3hgm n ARG 109 N -5.30 0.98 -3.69 3.15 5.12 -0.27 -4.90 116.66 111.74 3hgm n ARG 109 Ca -0.00 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.69 3hgm n ARG 109 Cb 0.22 -1.39 0.04 0.00 -1.16 0.00 0.00 32.46 30.17 3hgm n ARG 109 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3hgm n GLU 110 N -0.89 -5.59 -2.82 5.56 1.02 -0.99 -4.97 120.64 111.95 3hgm n GLU 110 Ca 0.18 0.67 -0.40 0.00 -0.02 0.00 0.00 57.16 57.59 3hgm n GLU 110 Cb 0.08 -5.42 -0.05 0.00 -0.02 0.00 0.00 31.44 26.04 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 2.36 3.13 -3.67 0.00 5.68 -0.45 -4.76 116.55 118.83 3hgm n ASP 112 Ca -0.01 -1.91 -0.10 0.00 -0.50 0.00 0.00 54.79 52.28 3hgm n ASP 112 Cb 0.49 -0.22 -0.09 0.00 -1.14 0.00 0.00 41.12 40.16 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 -1.25 -0.37 -0.16 -2.12 2.96 -1.20 -4.16 118.68 112.38 3hgm s LEU 113 Ca 0.32 1.16 -0.03 0.00 -0.22 0.00 0.00 54.13 55.35 3hgm s LEU 113 Cb 0.18 1.84 -0.02 0.00 0.50 0.00 0.00 46.19 48.69 3hgm s LEU 113 CO 0.25 -0.21 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.33 3hgm s VAL 114 N 1.14 3.63 -0.24 1.68 1.01 -0.80 -0.04 120.40 126.78 3hgm s VAL 114 Ca -0.07 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.44 3hgm s VAL 114 Cb -0.06 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.75 3hgm s VAL 114 CO -0.11 0.48 -0.05 -0.69 0.00 0.00 0.00 175.10 174.74 3hgm s VAL 115 N 0.58 3.11 0.05 2.92 1.01 0.65 0.10 120.40 128.81 3hgm s VAL 115 Ca -0.04 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.16 3hgm s VAL 115 Cb -0.15 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 3hgm s VAL 115 CO 0.03 0.27 -0.12 -0.51 0.00 0.00 0.00 175.10 174.77 3hgm s ILE 116 N 1.39 0.93 0.46 2.22 2.07 0.04 -3.79 121.20 124.51 3hgm s ILE 116 Ca 0.02 -1.06 -0.23 0.00 -1.41 0.00 0.00 60.65 57.97 3hgm s ILE 116 Cb -0.16 -0.89 -0.07 0.00 0.13 0.00 0.00 42.46 41.47 3hgm s ILE 116 CO -0.04 -0.15 1.19 -0.83 -1.91 0.00 0.00 174.94 173.20 3hgm s GLY 117 N -1.36 2.80 0.20 1.50 0.00 -1.26 -0.94 107.32 108.26 3hgm s GLY 117 Ca -0.02 1.00 -0.07 0.00 0.00 0.00 0.00 44.72 45.62 3hgm s GLY 117 CO 0.01 1.47 1.67 0.00 0.00 0.00 0.00 173.10 176.25 3hgm h ALA 118 N 2.05 0.90 -2.09 3.20 0.00 -0.76 -3.43 119.26 119.13 3hgm h ALA 118 Ca -0.49 -0.30 -0.45 0.00 0.00 0.00 0.00 54.91 53.66 3hgm h ALA 118 Cb 1.25 -0.22 -0.14 0.00 0.00 0.00 0.00 17.79 18.68 3hgm h ALA 118 CO 0.60 0.65 -0.62 -0.65 0.00 0.00 0.00 179.25 179.23 3hgm s GLN 119 N -5.01 1.57 0.00 0.00 -0.21 -1.26 -0.44 119.66 114.30 3hgm s GLN 119 Ca -0.11 -1.85 0.00 0.00 0.02 0.00 0.00 55.36 53.42 3hgm s GLN 119 Cb 0.14 -0.82 0.00 0.00 1.00 0.00 0.00 33.01 33.33 3hgm s GLN 119 CO 0.85 -0.15 0.00 0.41 -2.12 0.00 0.00 175.29 174.27 3hgm n GLY 120 N -0.61 4.11 0.00 3.09 0.00 -1.26 -4.22 105.19 106.29 3hgm n GLY 120 Ca -0.03 -0.52 0.10 0.00 0.00 0.00 0.00 46.02 45.57 3hgm n GLY 120 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hgm n THR 121 N 0.00 0.45 0.24 2.61 -2.24 -1.26 -2.09 114.28 112.00 3hgm n THR 121 Ca 0.00 0.11 0.04 0.00 -2.27 0.00 0.00 64.05 61.94 3hgm n THR 121 Cb 0.00 -0.77 0.06 0.00 -2.10 0.00 0.00 70.33 67.52 3hgm n THR 121 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3hgm n ASN 122 N -1.37 2.00 -4.72 3.42 5.03 -1.26 -5.09 115.26 113.27 3hgm n ASN 122 Ca 0.08 -1.53 -0.41 0.00 0.87 0.00 0.00 54.58 53.59 3hgm n ASN 122 Cb 0.19 -0.05 0.01 0.00 -1.02 0.00 0.00 39.78 38.91 3hgm n ASN 122 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hgm n GLY 123 N 0.45 0.74 3.69 7.41 0.00 -0.89 -5.16 105.19 111.43 3hgm n GLY 123 Ca 0.06 0.22 -0.44 0.00 0.00 0.00 0.00 46.02 45.86 3hgm n GLY 123 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hgm n LEU 129 N 0.21 3.46 -4.73 0.99 4.77 -1.26 -4.95 117.00 115.49 3hgm n LEU 129 Ca 0.05 1.12 -0.36 0.00 -0.03 0.00 0.00 56.01 56.79 3hgm n LEU 129 Cb 0.39 -1.48 0.07 0.00 -2.33 0.00 0.00 43.42 40.08 3hgm n LEU 129 CO 0.60 -0.22 0.87 -0.83 -1.33 0.00 0.00 177.39 176.47 3hgm s GLY 130 N 0.61 2.70 0.28 -0.72 0.00 0.41 -4.81 107.32 105.80 3hgm s GLY 130 Ca 0.71 1.10 -0.03 0.00 0.00 0.00 0.00 44.72 46.50 3hgm s GLY 130 CO 0.44 1.51 1.92 1.48 0.00 0.00 0.00 173.10 178.45 3hgm h SER 131 N 0.34 0.94 -0.15 1.64 4.64 -1.99 0.12 113.55 119.09 3hgm h SER 131 Ca -0.50 -0.06 -0.14 0.00 -0.47 0.00 0.00 61.79 60.62 3hgm h SER 131 Cb 1.32 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3hgm h SER 131 CO 0.52 0.74 -0.44 0.58 -0.87 0.00 0.00 176.83 177.36 3hgm h VAL 132 N 1.08 1.35 -0.68 0.95 2.07 -1.95 -2.64 116.25 116.42 3hgm h VAL 132 Ca 0.28 -1.71 0.02 0.00 0.82 0.00 0.00 66.70 66.10 3hgm h VAL 132 Cb -0.02 2.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 3hgm h VAL 132 CO -0.05 0.52 0.44 0.00 0.02 0.00 0.00 177.57 178.50 3hgm h ALA 133 N 0.54 0.88 -0.32 1.67 0.00 -1.75 -1.28 119.26 119.00 3hgm h ALA 133 Ca -0.01 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3hgm h ALA 133 Cb 1.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3hgm h ALA 133 CO 0.09 0.25 0.21 0.37 0.00 0.00 0.00 179.25 180.18 3hgm h GLN 134 N 0.89 0.42 -0.40 0.00 4.15 -0.98 -1.38 115.11 117.80 3hgm h GLN 134 Ca 0.26 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.59 3hgm h GLN 134 Cb -0.06 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.53 3hgm h GLN 134 CO -0.08 0.28 -0.01 0.00 -1.93 0.00 0.00 178.83 177.09 3hgm h ARG 135 N 0.43 0.71 -0.34 1.69 3.08 -1.25 -2.91 114.38 115.80 3hgm h ARG 135 Ca 0.12 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 59.88 3hgm h ARG 135 Cb -0.04 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 3hgm h ARG 135 CO -0.03 0.81 0.00 0.28 -1.07 0.00 0.00 179.97 179.96 3hgm h VAL 136 N 0.54 1.26 -0.85 2.04 2.07 -1.14 -1.03 116.25 119.14 3hgm h VAL 136 Ca 0.11 -0.96 0.05 0.00 0.82 0.00 0.00 66.70 66.71 3hgm h VAL 136 Cb 0.50 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 3hgm h VAL 136 CO 0.02 0.32 0.56 0.00 0.02 0.00 0.00 177.57 178.49 3hgm h ALA 137 N 0.86 1.50 -0.02 1.67 0.00 -1.26 0.09 119.26 122.11 3hgm h ALA 137 Ca 0.10 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.74 3hgm h ALA 137 Cb 0.45 -0.28 0.02 0.00 0.00 0.00 0.00 17.79 17.97 3hgm h ALA 137 CO 0.02 0.40 -0.90 0.78 0.00 0.00 0.00 179.25 179.55 3hgm h GLY 138 N 1.02 0.72 -0.17 0.00 0.00 -1.35 -3.39 103.07 99.89 3hgm h GLY 138 Ca 0.35 -1.22 0.00 0.00 0.00 0.00 0.00 47.33 46.46 3hgm h GLY 138 CO -0.11 1.08 -0.65 -1.14 0.00 0.00 0.00 176.54 175.72 3hgm n SER 139 N -3.96 0.95 -4.77 0.19 3.41 -0.40 -4.97 113.62 104.07 3hgm n SER 139 Ca -0.10 -0.98 -0.38 0.00 -0.26 0.00 0.00 58.87 57.15 3hgm n SER 139 Cb 0.81 0.88 -0.02 0.00 -0.26 0.00 0.00 64.21 65.62 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 -2.36 3.18 -0.00 7.33 0.00 -0.01 -4.94 121.76 124.97 3hgm s ALA 140 Ca 0.08 0.95 0.28 0.00 0.00 0.00 0.00 51.96 53.27 3hgm s ALA 140 Cb 0.12 -3.37 1.00 0.00 0.00 0.00 0.00 23.12 20.87 3hgm s ALA 140 CO 0.59 -0.48 1.85 1.12 0.00 0.00 0.00 175.76 178.84 3hgm h HIS 141 N 2.74 0.00 -0.89 0.00 2.07 -1.89 -3.46 115.15 113.72 3hgm h HIS 141 Ca -0.49 0.00 -0.62 0.00 -2.85 0.00 0.00 60.37 56.42 3hgm h HIS 141 Cb 1.23 0.00 -0.10 0.00 2.57 0.00 0.00 27.41 31.11 3hgm h HIS 141 CO 0.56 0.08 -0.46 0.00 -3.07 0.00 0.00 177.93 175.03 3hgm s PRO 143 N -3.97 3.35 -0.18 0.00 0.02 -1.26 -4.86 135.00 128.10 3hgm s PRO 143 Ca 0.26 2.34 0.01 0.00 0.02 0.00 0.00 61.00 63.63 3hgm s PRO 143 Cb 0.02 -2.42 0.03 0.00 0.02 0.00 0.00 34.50 32.15 3hgm s PRO 143 CO 0.15 -1.06 -0.17 0.08 -0.33 0.00 0.00 177.00 175.67 3hgm s VAL 144 N -1.25 1.92 -0.44 3.83 1.01 -1.26 -1.90 120.40 122.31 3hgm s VAL 144 Ca 0.67 -0.94 -0.22 0.00 0.00 0.00 0.00 61.98 61.49 3hgm s VAL 144 Cb -0.42 -1.80 0.02 0.00 0.00 0.00 0.00 36.38 34.18 3hgm s VAL 144 CO 0.52 0.43 0.75 -0.22 0.00 0.00 0.00 175.10 176.58 3hgm s LEU 145 N 1.33 4.30 -0.31 3.92 2.96 0.11 -4.98 118.68 126.00 3hgm s LEU 145 Ca 0.03 -0.11 -0.18 0.00 -0.22 0.00 0.00 54.13 53.65 3hgm s LEU 145 Cb -0.14 -2.91 -0.01 0.00 0.50 0.00 0.00 46.19 43.63 3hgm s LEU 145 CO -0.11 -0.86 0.52 -0.69 -1.32 0.00 0.00 176.35 173.88 3hgm s VAL 146 N 3.15 5.03 -2.12 1.68 1.01 -1.26 -0.78 120.40 127.11 3hgm s VAL 146 Ca 0.28 0.57 0.17 0.00 0.00 0.00 0.00 61.98 63.00 3hgm s VAL 146 Cb -0.13 -3.91 0.13 0.00 0.00 0.00 0.00 36.38 32.48 3hgm s VAL 146 CO 0.21 -0.09 1.04 0.52 0.00 0.00 0.00 175.10 176.78