#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hdm n SER 3 N 0.00 1.94 0.11 1.61 3.41 -1.26 -4.57 113.62 114.86 2hdm n SER 3 Ca 0.00 -1.47 -0.11 0.00 -0.26 0.00 0.00 58.87 57.03 2hdm n SER 3 Cb 0.00 0.49 -0.07 0.00 -0.26 0.00 0.00 64.21 64.38 2hdm n SER 3 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2hdm h GLU 4 N 2.27 -0.52 -5.95 4.33 3.07 -2.01 -3.43 114.58 112.33 2hdm h GLU 4 Ca 0.00 0.04 -0.52 0.00 -0.50 0.00 0.00 59.36 58.37 2hdm h GLU 4 Cb 0.72 0.12 -0.19 0.00 -0.84 0.00 0.00 28.75 28.55 2hdm h GLU 4 CO 0.00 -0.35 -0.80 0.14 -1.40 0.00 0.00 179.01 176.61 2hdm s VAL 5 N -4.82 1.72 0.06 3.13 -7.23 -1.26 -4.98 120.40 107.01 2hdm s VAL 5 Ca -0.11 -1.76 0.00 0.00 -1.81 0.00 0.00 61.98 58.30 2hdm s VAL 5 Cb 0.04 -1.70 0.00 0.00 0.56 0.00 0.00 36.38 35.28 2hdm s VAL 5 CO 0.40 -0.23 0.00 -0.24 -0.31 0.00 0.00 175.10 174.71 2hdm n SER 6 N 0.61 -0.51 -0.96 4.85 2.88 -1.26 -4.75 113.62 114.48 2hdm n SER 6 Ca -0.16 0.15 0.12 0.00 -1.33 0.00 0.00 58.87 57.65 2hdm n SER 6 Cb 0.56 0.74 -0.03 0.00 -0.75 0.00 0.00 64.21 64.72 2hdm n SER 6 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2hdm n ASP 7 N -2.48 -5.71 0.00 -3.46 9.92 -1.26 -4.85 116.55 108.71 2hdm n ASP 7 Ca 0.00 0.92 0.00 0.00 -0.53 0.00 0.00 54.79 55.18 2hdm n ASP 7 Cb 0.00 -2.59 0.00 0.00 -0.64 0.00 0.00 41.12 37.89 2hdm n ASP 7 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2hdm n LYS 8 N -2.98 0.00 -3.54 -1.24 3.00 -1.26 -3.44 118.16 108.70 2hdm n LYS 8 Ca 0.01 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.03 2hdm n LYS 8 Cb 0.39 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 35.28 2hdm n LYS 8 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2hdm s ARG 9 N 0.00 0.31 0.50 1.64 0.52 -1.26 -4.87 118.95 115.80 2hdm s ARG 9 Ca 0.00 -0.75 0.27 0.00 -0.52 0.00 0.00 55.73 54.73 2hdm s ARG 9 Cb 0.00 -1.26 1.33 0.00 0.52 0.00 0.00 34.95 35.54 2hdm s ARG 9 CO 0.00 -1.06 2.01 1.15 0.02 0.00 0.00 175.30 177.43 2hdm h THR 10 N 6.12 0.55 -3.91 0.02 2.02 -1.91 -3.44 112.91 112.36 2hdm h THR 10 Ca -0.14 -0.68 -0.12 0.00 0.77 0.00 0.00 66.41 66.25 2hdm h THR 10 Cb 1.00 1.45 -0.16 0.00 -1.74 0.00 0.00 68.15 68.70 2hdm h THR 10 CO 0.41 0.14 -0.53 0.00 0.37 0.00 0.00 175.52 175.91 2hdm n VAL 12 N 0.42 0.00 -3.73 0.00 0.24 -1.26 -5.02 118.33 108.98 2hdm n VAL 12 Ca -0.17 -0.27 -0.36 0.00 -2.04 0.00 0.00 64.34 61.50 2hdm n VAL 12 Cb 0.60 0.75 -0.06 0.00 -1.47 0.00 0.00 33.84 33.67 2hdm n VAL 12 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2hdm s SER 13 N -1.67 6.55 0.01 -1.34 1.04 -1.26 -5.09 113.70 111.94 2hdm s SER 13 Ca 0.00 0.64 0.07 0.00 0.48 0.00 0.00 55.95 57.14 2hdm s SER 13 Cb 0.01 -2.13 -0.03 0.00 0.10 0.00 0.00 66.02 63.98 2hdm s SER 13 CO 0.09 0.32 -0.19 -0.76 0.98 0.00 0.00 173.24 173.67 2hdm s LEU 14 N -1.33 2.49 -0.23 2.42 1.02 -1.26 -4.69 118.68 117.10 2hdm s LEU 14 Ca 0.22 -0.39 -0.24 0.00 0.02 0.00 0.00 54.13 53.74 2hdm s LEU 14 Cb -0.14 -1.47 -0.01 0.00 0.02 0.00 0.00 46.19 44.59 2hdm s LEU 14 CO 0.11 0.29 0.80 -0.89 0.02 0.00 0.00 176.35 176.69 2hdm s THR 15 N -0.81 4.87 -0.15 5.49 2.01 0.16 -4.79 115.64 122.42 2hdm s THR 15 Ca 0.13 1.52 0.20 0.00 0.31 0.00 0.00 61.69 63.85 2hdm s THR 15 Cb -0.10 -4.10 -0.15 0.00 0.01 0.00 0.00 72.50 68.16 2hdm s THR 15 CO 0.03 -0.04 0.74 0.41 -0.69 0.00 0.00 174.62 175.07 2hdm n THR 16 N 5.14 0.76 -1.55 -0.82 -1.04 -1.26 -2.16 114.28 113.35 2hdm n THR 16 Ca 0.05 -0.62 -0.30 0.00 -2.04 0.00 0.00 64.05 61.14 2hdm n THR 16 Cb 0.48 -0.42 0.09 0.00 -1.82 0.00 0.00 70.33 68.66 2hdm n THR 16 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2hdm s GLN 17 N -3.16 2.01 0.26 -2.82 -2.07 -1.26 -4.97 119.66 107.66 2hdm s GLN 17 Ca -0.04 0.61 -0.00 0.00 -1.82 0.00 0.00 55.36 54.11 2hdm s GLN 17 Cb 0.10 -1.91 -0.04 0.00 -1.09 0.00 0.00 33.01 30.07 2hdm s GLN 17 CO 0.83 -1.67 0.46 1.03 -1.32 0.00 0.00 175.29 174.62 2hdm s ARG 18 N -5.16 3.52 0.09 9.60 0.52 -1.26 -5.01 118.95 121.24 2hdm s ARG 18 Ca 0.61 -0.33 0.07 0.00 -0.52 0.00 0.00 55.73 55.56 2hdm s ARG 18 Cb -0.14 -2.76 -0.03 0.00 0.52 0.00 0.00 34.95 32.53 2hdm s ARG 18 CO 0.54 0.30 -0.19 -0.51 0.02 0.00 0.00 175.30 175.46 2hdm s LEU 19 N -3.74 2.28 0.30 2.53 1.02 -1.26 -5.12 118.68 114.69 2hdm s LEU 19 Ca 0.39 -0.65 -0.30 0.00 0.02 0.00 0.00 54.13 53.59 2hdm s LEU 19 Cb -0.10 -0.79 -0.12 0.00 0.02 0.00 0.00 46.19 45.20 2hdm s LEU 19 CO 0.31 0.03 1.58 -2.65 0.02 0.00 0.00 176.35 175.64 2hdm n PRO 20 N 1.22 2.67 0.20 1.29 -0.02 -1.26 -4.87 135.00 134.22 2hdm n PRO 20 Ca -0.20 0.95 0.14 0.00 -2.02 0.00 0.00 63.50 62.37 2hdm n PRO 20 Cb 0.54 -2.72 0.58 0.00 -0.02 0.00 0.00 33.50 31.87 2hdm n PRO 20 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hdm n SER 22 N -2.62 0.44 -0.24 0.00 3.41 -1.26 -2.63 113.62 110.72 2hdm n SER 22 Ca 0.02 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.31 2hdm n SER 22 Cb 0.27 -0.67 0.28 0.00 -0.26 0.00 0.00 64.21 63.83 2hdm n SER 22 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2hdm n ARG 23 N -1.94 0.74 -2.12 4.33 1.74 -0.22 -4.86 116.66 114.33 2hdm n ARG 23 Ca 0.05 -0.48 -0.42 0.00 -0.77 0.00 0.00 57.85 56.22 2hdm n ARG 23 Cb 0.33 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.26 2hdm n ARG 23 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2hdm s ILE 24 N -2.59 3.72 -0.17 0.55 -1.09 -1.08 -0.31 121.20 120.23 2hdm s ILE 24 Ca 0.21 0.93 -0.15 0.00 -2.23 0.00 0.00 60.65 59.41 2hdm s ILE 24 Cb 0.19 -3.60 -0.10 0.00 -1.58 0.00 0.00 42.46 37.37 2hdm s ILE 24 CO 0.57 -0.07 -0.01 1.17 -1.23 0.00 0.00 174.94 175.37 2hdm n LYS 25 N 6.70 0.50 -3.65 2.79 0.00 0.84 -4.79 118.16 120.56 2hdm n LYS 25 Ca 0.16 0.55 -0.06 0.00 0.00 0.00 0.00 58.31 58.96 2hdm n LYS 25 Cb 0.43 -1.72 -0.02 0.00 0.00 0.00 0.00 35.03 33.73 2hdm n LYS 25 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 2hdm s THR 26 N -2.30 0.00 0.13 3.15 -1.32 -1.22 -4.99 115.64 109.09 2hdm s THR 26 Ca -0.21 -0.41 0.04 0.00 -1.21 0.00 0.00 61.69 59.90 2hdm s THR 26 Cb 0.04 -1.58 -0.04 0.00 -1.51 0.00 0.00 72.50 69.40 2hdm s THR 26 CO 0.38 0.00 -0.09 -0.72 -2.21 0.00 0.00 174.62 171.98 2hdm s TYR 27 N -3.30 1.15 -0.04 9.09 -0.85 -1.26 -0.45 117.35 121.69 2hdm s TYR 27 Ca 0.09 -0.80 -0.02 0.00 -0.52 0.00 0.00 57.07 55.81 2hdm s TYR 27 Cb -0.01 -0.60 0.03 0.00 0.38 0.00 0.00 41.96 41.75 2hdm s TYR 27 CO -0.02 0.01 0.07 0.99 -1.52 0.00 0.00 175.55 175.08 2hdm s THR 28 N -3.41 -0.12 -0.09 -3.49 2.01 0.94 -4.97 115.64 106.51 2hdm s THR 28 Ca 0.15 0.40 -0.17 0.00 0.31 0.00 0.00 61.69 62.38 2hdm s THR 28 Cb 0.03 -0.16 -0.05 0.00 0.01 0.00 0.00 72.50 72.33 2hdm s THR 28 CO -0.01 0.17 0.44 -0.63 -0.69 0.00 0.00 174.62 173.90 2hdm s ILE 29 N 2.07 5.15 -0.20 1.82 1.01 -1.26 0.01 121.20 129.79 2hdm s ILE 29 Ca 0.03 0.89 -0.09 0.00 0.00 0.00 0.00 60.65 61.48 2hdm s ILE 29 Cb -0.12 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 2hdm s ILE 29 CO -0.03 0.40 0.10 0.42 0.00 0.00 0.00 174.94 175.83 2hdm s THR 30 N 0.14 5.08 -0.12 2.92 -4.23 0.75 -4.98 115.64 115.19 2hdm s THR 30 Ca 0.24 0.07 -0.02 0.00 -1.18 0.00 0.00 61.69 60.81 2hdm s THR 30 Cb -0.15 -3.32 -0.03 0.00 1.34 0.00 0.00 72.50 70.34 2hdm s THR 30 CO 0.11 0.42 -0.05 -1.61 -0.54 0.00 0.00 174.62 172.95 2hdm s GLU 31 N 0.57 3.34 0.00 3.99 2.02 -1.26 -2.86 118.70 124.50 2hdm s GLU 31 Ca 0.06 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.52 2hdm s GLU 31 Cb -0.12 -2.80 0.00 0.00 0.10 0.00 0.00 34.13 31.31 2hdm s GLU 31 CO 0.01 0.40 0.00 0.41 0.02 0.00 0.00 175.26 176.10 2hdm n GLY 32 N 3.03 0.53 0.11 -1.39 0.00 -1.26 -4.97 105.19 101.24 2hdm n GLY 32 Ca -0.18 0.42 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 2hdm n GLY 32 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2hdm n SER 33 N 0.00 0.73 -4.25 1.61 7.64 -1.26 -4.73 113.62 113.36 2hdm n SER 33 Ca 0.00 -0.03 -0.37 0.00 1.01 0.00 0.00 58.87 59.48 2hdm n SER 33 Cb 0.00 0.45 -0.13 0.00 -1.01 0.00 0.00 64.21 63.53 2hdm n SER 33 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2hdm s LEU 34 N -5.89 4.21 -0.26 -3.43 0.20 -1.26 -5.07 118.68 107.18 2hdm s LEU 34 Ca -0.18 -1.17 -0.18 0.00 0.69 0.00 0.00 54.13 53.29 2hdm s LEU 34 Cb 0.07 -1.83 -0.03 0.00 -0.43 0.00 0.00 46.19 43.97 2hdm s LEU 34 CO 0.75 -0.31 0.50 -0.60 -0.29 0.00 0.00 176.35 176.40 2hdm s ARG 35 N 1.37 4.07 -0.02 1.98 3.52 -1.26 -4.73 118.95 123.88 2hdm s ARG 35 Ca -0.03 0.29 0.05 0.00 -0.13 0.00 0.00 55.73 55.91 2hdm s ARG 35 Cb -0.20 -3.65 -0.01 0.00 -1.56 0.00 0.00 34.95 29.53 2hdm s ARG 35 CO 0.02 -0.33 -0.16 0.00 -0.81 0.00 0.00 175.30 174.02 2hdm s ALA 36 N 2.26 1.31 -0.26 6.12 0.00 -1.13 -4.61 121.76 125.44 2hdm s ALA 36 Ca 0.20 -0.66 -0.08 0.00 0.00 0.00 0.00 51.96 51.41 2hdm s ALA 36 Cb -0.16 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 2hdm s ALA 36 CO 0.09 0.31 0.11 0.54 0.00 0.00 0.00 175.76 176.81 2hdm s VAL 37 N -0.30 4.58 -0.15 0.00 0.11 -1.00 -0.18 120.40 123.46 2hdm s VAL 37 Ca 0.05 -0.12 -0.18 0.00 -2.93 0.00 0.00 61.98 58.79 2hdm s VAL 37 Cb -0.07 -3.18 -0.04 0.00 -1.53 0.00 0.00 36.38 31.57 2hdm s VAL 37 CO -0.00 0.28 0.50 -0.63 -3.33 0.00 0.00 175.10 171.92 2hdm s ILE 38 N 1.65 5.15 -0.13 7.04 1.01 0.10 -0.33 121.20 135.69 2hdm s ILE 38 Ca 0.06 0.97 -0.00 0.00 0.00 0.00 0.00 60.65 61.68 2hdm s ILE 38 Cb -0.16 -3.83 -0.01 0.00 0.01 0.00 0.00 42.46 38.47 2hdm s ILE 38 CO 0.06 0.26 -0.13 -0.36 0.00 0.00 0.00 174.94 174.77 2hdm s PHE 39 N 1.05 2.81 0.01 3.97 0.08 0.18 -0.04 117.98 126.03 2hdm s PHE 39 Ca 0.25 -0.67 -0.18 0.00 0.12 0.00 0.00 56.93 56.45 2hdm s PHE 39 Cb -0.15 -1.85 -0.06 0.00 -0.57 0.00 0.00 43.02 40.39 2hdm s PHE 39 CO 0.10 -0.23 0.52 0.42 -0.10 0.00 0.00 175.22 175.93 2hdm s ILE 40 N 0.39 4.92 0.48 0.64 -1.09 0.41 0.40 121.20 127.35 2hdm s ILE 40 Ca -0.11 1.08 -0.03 0.00 -2.23 0.00 0.00 60.65 59.36 2hdm s ILE 40 Cb -0.16 -3.84 -0.02 0.00 -1.58 0.00 0.00 42.46 36.86 2hdm s ILE 40 CO 0.05 0.50 0.76 0.28 -1.23 0.00 0.00 174.94 175.30 2hdm s THR 41 N -0.64 4.44 -0.14 2.92 -1.32 0.65 -0.11 115.64 121.44 2hdm s THR 41 Ca 0.27 -0.08 0.27 0.00 -1.21 0.00 0.00 61.69 60.94 2hdm s THR 41 Cb -0.18 -3.69 0.27 0.00 -1.51 0.00 0.00 72.50 67.40 2hdm s THR 41 CO 0.16 -0.61 1.81 0.50 -2.21 0.00 0.00 174.62 174.26 2hdm h LYS 42 N 0.23 0.00 0.00 7.08 3.64 -0.97 0.17 116.57 126.72 2hdm h LYS 42 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2hdm h LYS 42 Cb 1.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2hdm h LYS 42 CO 0.60 0.00 0.00 -0.09 -2.27 0.00 0.00 179.45 177.69 2hdm h ARG 43 N 0.00 0.00 0.00 1.90 2.43 -1.93 -3.47 114.38 113.32 2hdm h ARG 43 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2hdm h ARG 43 Cb 0.16 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2hdm h ARG 43 CO 0.00 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.87 2hdm n GLY 44 N 0.75 0.95 3.94 2.80 0.00 0.59 -5.08 105.19 109.14 2hdm n GLY 44 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 2hdm n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hdm s LEU 45 N 0.00 4.31 -0.09 0.99 1.43 -1.24 -4.88 118.68 119.20 2hdm s LEU 45 Ca 0.00 0.25 -0.12 0.00 -1.03 0.00 0.00 54.13 53.23 2hdm s LEU 45 Cb 0.00 -2.99 -0.05 0.00 0.03 0.00 0.00 46.19 43.18 2hdm s LEU 45 CO 0.00 0.03 0.28 -1.59 0.23 0.00 0.00 176.35 175.31 2hdm s LYS 46 N -3.21 3.86 0.10 1.70 0.00 -1.26 -0.25 119.74 120.68 2hdm s LYS 46 Ca 0.36 0.13 0.09 0.00 0.00 0.00 0.00 55.97 56.55 2hdm s LYS 46 Cb -0.11 -3.27 -0.03 0.00 0.00 0.00 0.00 37.83 34.41 2hdm s LYS 46 CO 0.29 0.58 -0.22 0.08 0.00 0.00 0.00 175.35 176.08 2hdm s VAL 47 N -0.60 1.83 -0.11 1.79 1.01 0.16 -4.93 120.40 119.56 2hdm s VAL 47 Ca 0.19 -1.54 0.03 0.00 0.00 0.00 0.00 61.98 60.66 2hdm s VAL 47 Cb -0.14 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.60 2hdm s VAL 47 CO 0.07 0.02 -0.22 0.00 0.00 0.00 0.00 175.10 174.98 2hdm s ALA 49 N 0.60 1.60 -0.21 0.00 0.00 0.55 0.36 121.76 124.67 2hdm s ALA 49 Ca -0.13 -1.32 -0.29 0.00 0.00 0.00 0.00 51.96 50.22 2hdm s ALA 49 Cb -0.17 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.83 2hdm s ALA 49 CO 0.04 0.15 1.31 0.34 0.00 0.00 0.00 175.76 177.59 2hdm s ASP 50 N -2.43 6.82 0.41 0.00 -1.08 -0.92 -2.38 116.67 117.10 2hdm s ASP 50 Ca 0.10 1.55 0.29 0.00 -0.52 0.00 0.00 52.55 53.97 2hdm s ASP 50 Cb -0.06 -2.54 1.27 0.00 -1.46 0.00 0.00 42.92 40.13 2hdm s ASP 50 CO 0.04 -0.89 1.87 -0.65 0.52 0.00 0.00 175.17 176.05 2hdm h PRO 51 N 8.73 0.00 -0.35 4.34 0.11 -1.90 -2.22 132.00 140.70 2hdm h PRO 51 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2hdm h PRO 51 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2hdm h PRO 51 CO 0.99 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.78 2hdm n GLN 52 N -2.64 2.35 -2.48 1.05 10.64 -1.26 -4.42 117.38 120.62 2hdm n GLN 52 Ca 0.01 -2.04 -0.41 0.00 -1.83 0.00 0.00 57.00 52.73 2hdm n GLN 52 Cb 0.23 -1.49 -0.03 0.00 -0.86 0.00 0.00 30.24 28.09 2hdm n GLN 52 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2hdm s ALA 53 N -1.55 3.37 0.31 2.61 0.00 -0.84 -4.93 121.76 120.73 2hdm s ALA 53 Ca 0.37 0.82 -0.01 0.00 0.00 0.00 0.00 51.96 53.15 2hdm s ALA 53 Cb 0.22 -3.39 0.49 0.00 0.00 0.00 0.00 23.12 20.43 2hdm s ALA 53 CO 0.30 -0.32 1.96 1.15 0.00 0.00 0.00 175.76 178.86 2hdm h THR 54 N 4.12 1.17 -0.08 0.00 2.02 -1.89 0.62 112.91 118.87 2hdm h THR 54 Ca -0.43 -0.36 -0.15 0.00 0.77 0.00 0.00 66.41 66.23 2hdm h THR 54 Cb 1.21 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 2hdm h THR 54 CO 0.76 0.19 -0.62 4.11 0.37 0.00 0.00 175.52 180.34 2hdm h TRP 55 N 1.06 0.39 -0.31 3.16 5.08 -1.94 -1.41 115.95 121.98 2hdm h TRP 55 Ca 0.32 -0.15 -0.05 0.00 1.08 0.00 0.00 58.89 60.08 2hdm h TRP 55 Cb -0.04 -0.07 -0.01 0.00 -3.00 0.00 0.00 29.16 26.04 2hdm h TRP 55 CO -0.00 0.84 -0.01 0.28 -1.28 0.00 0.00 178.44 178.27 2hdm h VAL 56 N 0.22 1.26 -0.87 0.12 2.07 -1.60 -1.43 116.25 116.02 2hdm h VAL 56 Ca -0.01 -0.96 0.05 0.00 0.82 0.00 0.00 66.70 66.60 2hdm h VAL 56 Cb 1.14 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 32.14 2hdm h VAL 56 CO 0.10 0.31 0.57 0.03 0.02 0.00 0.00 177.57 178.60 2hdm h ARG 57 N 0.34 1.00 -0.40 1.57 3.08 -0.63 0.57 114.38 119.91 2hdm h ARG 57 Ca 0.09 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 2hdm h ARG 57 Cb 0.45 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 2hdm h ARG 57 CO 0.02 0.66 0.19 -0.44 -1.07 0.00 0.00 179.97 179.33 2hdm h ASP 58 N 1.03 0.52 0.27 7.04 3.32 -0.92 -2.29 116.42 125.38 2hdm h ASP 58 Ca 0.36 -0.12 -0.34 0.00 0.02 0.00 0.00 57.03 56.95 2hdm h ASP 58 Cb 0.11 -0.13 0.04 0.00 0.22 0.00 0.00 39.33 39.57 2hdm h ASP 58 CO -0.12 0.50 -1.50 0.00 -1.72 0.00 0.00 179.24 176.39 2hdm h VAL 60 N 0.14 0.82 0.00 0.00 3.04 0.02 0.17 116.25 120.44 2hdm h VAL 60 Ca -0.26 -0.67 -0.21 0.00 -1.01 0.00 0.00 66.70 64.55 2hdm h VAL 60 Cb 2.16 1.40 -0.04 0.00 -2.01 0.00 0.00 31.29 32.80 2hdm h VAL 60 CO 0.27 0.17 -1.55 0.54 -1.01 0.00 0.00 177.57 175.99 2hdm n ARG 61 N -3.88 0.63 -0.08 4.17 5.12 -0.86 -2.36 116.66 119.39 2hdm n ARG 61 Ca -0.02 0.23 -0.10 0.00 -1.93 0.00 0.00 57.85 56.03 2hdm n ARG 61 Cb 0.27 -1.79 -0.03 0.00 -1.16 0.00 0.00 32.46 29.75 2hdm n ARG 61 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2hdm h SER 62 N 0.00 0.35 0.04 0.55 0.87 0.48 0.25 113.55 116.09 2hdm h SER 62 Ca -0.21 -0.15 -0.10 0.00 -1.23 0.00 0.00 61.79 60.10 2hdm h SER 62 Cb 1.73 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.58 2hdm h SER 62 CO 0.05 0.40 -0.31 0.24 -0.53 0.00 0.00 176.83 176.69 2hdm h MET 63 N 0.27 0.40 -0.84 2.24 2.86 -1.11 -0.97 114.93 117.78 2hdm h MET 63 Ca 0.09 -0.17 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 2hdm h MET 63 Cb 0.16 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.76 2hdm h MET 63 CO -0.01 0.67 0.40 0.22 1.06 0.00 0.00 176.91 179.26 2hdm h ASP 64 N 0.35 1.10 0.39 1.22 3.58 -1.20 -2.05 116.42 119.81 2hdm h ASP 64 Ca 0.05 -0.13 -0.10 0.00 0.42 0.00 0.00 57.03 57.26 2hdm h ASP 64 Cb 0.72 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 2hdm h ASP 64 CO 0.06 0.92 -0.45 -0.09 -2.88 0.00 0.00 179.24 176.80 2hdm h ARG 65 N 1.20 0.07 0.00 0.28 2.43 0.19 -1.50 114.38 117.05 2hdm h ARG 65 Ca 0.29 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 2hdm h ARG 65 Cb 0.12 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 2hdm h ARG 65 CO -0.04 0.51 0.00 0.87 -1.51 0.00 0.00 179.97 179.80 2hdm h LYS 66 N 0.06 0.00 -0.00 0.20 1.57 -0.68 -2.69 116.57 115.03 2hdm h LYS 66 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2hdm h LYS 66 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.13 2hdm h LYS 66 CO 0.06 0.00 -0.45 0.43 -0.57 0.00 0.00 179.45 178.93 2hdm n SER 67 N -2.67 0.58 -0.06 0.86 7.64 -0.58 -3.75 113.62 115.63 2hdm n SER 67 Ca 0.03 -0.35 -0.13 0.00 1.01 0.00 0.00 58.87 59.42 2hdm n SER 67 Cb 0.36 0.22 -0.06 0.00 -1.01 0.00 0.00 64.21 63.71 2hdm n SER 67 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 2hdm h ASN 68 N 0.21 0.48 -3.52 6.43 4.21 -1.29 -3.43 115.58 118.67 2hdm h ASN 68 Ca 0.00 -0.49 -0.52 0.00 1.21 0.00 0.00 56.30 56.49 2hdm h ASN 68 Cb 0.50 -0.14 -0.03 0.00 -1.12 0.00 0.00 38.32 37.53 2hdm h ASN 68 CO 0.00 0.88 -0.01 0.28 -1.29 0.00 0.00 177.43 177.28 2hdm s THR 69 N -4.26 4.79 -1.02 2.81 -1.32 -1.25 -5.00 115.64 110.39 2hdm s THR 69 Ca -0.14 0.80 -0.14 0.00 -1.21 0.00 0.00 61.69 61.00 2hdm s THR 69 Cb 0.06 -3.67 0.20 0.00 -1.51 0.00 0.00 72.50 67.58 2hdm s THR 69 CO 0.78 -0.01 1.11 -0.13 -2.21 0.00 0.00 174.62 174.15 2hdm s ARG 70 N -2.59 3.87 -0.31 7.08 3.00 -1.26 -4.72 118.95 124.02 2hdm s ARG 70 Ca 0.47 -2.51 -0.08 0.00 0.00 0.00 0.00 55.73 53.61 2hdm s ARG 70 Cb -0.12 -4.74 0.19 0.00 0.00 0.00 0.00 34.95 30.27 2hdm s ARG 70 CO 0.19 -1.52 1.00 1.21 0.00 0.00 0.00 175.30 176.18 2hdm s ASN 71 N 2.49 -0.52 -0.32 0.23 2.47 -1.26 -5.13 114.94 112.89 2hdm s ASN 71 Ca 0.31 -0.07 0.02 0.00 0.42 0.00 0.00 52.86 53.53 2hdm s ASN 71 Cb -0.07 1.04 0.08 0.00 -1.45 0.00 0.00 41.25 40.86 2hdm s ASN 71 CO -0.07 -0.08 0.02 0.20 -3.72 0.00 0.00 177.10 173.45 2hdm s ASN 72 N 2.53 4.77 -0.84 -4.21 0.02 -1.26 -4.96 114.94 110.99 2hdm s ASN 72 Ca 0.21 -1.77 -0.24 0.00 -1.02 0.00 0.00 52.86 50.04 2hdm s ASN 72 Cb -0.01 -1.65 0.06 0.00 0.02 0.00 0.00 41.25 39.67 2hdm s ASN 72 CO -0.19 -0.33 1.26 -0.32 0.02 0.00 0.00 177.10 177.53 2hdm s MET 73 N 1.05 3.36 -0.70 -0.60 -2.45 -1.26 -4.95 119.30 113.75 2hdm s MET 73 Ca 0.02 -0.83 -0.16 0.00 -1.25 0.00 0.00 55.69 53.47 2hdm s MET 73 Cb -0.20 -4.66 0.15 0.00 1.25 0.00 0.00 34.83 31.37 2hdm s MET 73 CO -0.05 -2.06 0.72 0.96 1.05 0.00 0.00 175.02 175.64 2hdm s ILE 74 N 4.79 5.19 0.00 10.11 -4.36 -1.26 -5.14 121.20 130.52 2hdm s ILE 74 Ca 0.36 -1.71 0.00 0.00 -0.26 0.00 0.00 60.65 59.04 2hdm s ILE 74 Cb -0.07 -4.48 0.00 0.00 1.25 0.00 0.00 42.46 39.16 2hdm s ILE 74 CO 0.03 -1.07 0.00 1.67 0.24 0.00 0.00 174.94 175.81