#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 0.64 -0.72 1.61 7.64 -1.26 -3.92 113.62 117.61 2hdm n SER 3 Ca 0.00 -0.51 0.08 0.00 1.01 0.00 0.00 58.87 59.46 2hdm n SER 3 Cb 0.00 1.12 0.11 0.00 -1.01 0.00 0.00 64.21 64.43 2hdm n SER 3 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2hdm n GLU 4 N -1.81 1.67 -1.36 1.43 0.00 -1.26 -4.93 120.64 114.38 2hdm n GLU 4 Ca 0.02 -1.69 -0.12 0.00 0.00 0.00 0.00 57.16 55.36 2hdm n GLU 4 Cb 0.41 -1.33 -0.05 0.00 0.00 0.00 0.00 31.44 30.47 2hdm n GLU 4 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2hdm n VAL 5 N 0.93 0.00 -2.17 3.84 0.31 -1.25 -1.77 118.33 118.21 2hdm n VAL 5 Ca 0.11 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.24 2hdm n VAL 5 Cb 0.43 -1.40 -0.03 0.00 -0.91 0.00 0.00 33.84 31.93 2hdm n VAL 5 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2hdm n SER 6 N -0.23 -5.73 -4.44 4.52 7.64 -1.26 -4.83 113.62 109.27 2hdm n SER 6 Ca -0.12 0.13 -0.48 0.00 1.01 0.00 0.00 58.87 59.40 2hdm n SER 6 Cb 0.44 -4.83 -0.08 0.00 -1.01 0.00 0.00 64.21 58.72 2hdm n SER 6 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2hdm n ASP 7 N -1.75 1.67 -0.00 6.43 2.03 -0.73 -4.82 116.55 119.38 2hdm n ASP 7 Ca -0.23 0.27 -0.11 0.00 0.52 0.00 0.00 54.79 55.23 2hdm n ASP 7 Cb 0.68 -1.21 -0.06 0.00 -0.72 0.00 0.00 41.12 39.82 2hdm n ASP 7 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2hdm h LYS 8 N 12.96 0.12 -2.66 -0.67 1.57 -1.90 -3.48 116.57 122.51 2hdm h LYS 8 Ca -0.21 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 2hdm h LYS 8 Cb 1.32 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.61 2hdm h LYS 8 CO 1.11 0.14 0.00 0.54 -0.57 0.00 0.00 179.45 180.68 2hdm n ARG 9 N -4.99 0.00 -3.64 3.15 1.74 -1.26 -5.11 116.66 106.54 2hdm n ARG 9 Ca -0.06 0.44 -0.10 0.00 -0.77 0.00 0.00 57.85 57.36 2hdm n ARG 9 Cb 0.06 -1.33 -0.04 0.00 -1.02 0.00 0.00 32.46 30.14 2hdm n ARG 9 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2hdm s THR 10 N -1.51 0.04 0.00 0.55 2.01 -1.26 -4.98 115.64 110.50 2hdm s THR 10 Ca 0.00 -0.57 0.03 0.00 0.31 0.00 0.00 61.69 61.46 2hdm s THR 10 Cb 0.00 -1.31 -0.03 0.00 0.01 0.00 0.00 72.50 71.16 2hdm s THR 10 CO 0.00 -0.18 -0.07 0.00 -0.69 0.00 0.00 174.62 173.68 2hdm n VAL 12 N 1.55 1.57 -3.64 0.00 0.24 -1.26 -5.00 118.33 111.79 2hdm n VAL 12 Ca -0.15 -0.67 -0.15 0.00 -2.04 0.00 0.00 64.34 61.33 2hdm n VAL 12 Cb 0.53 -1.30 -0.08 0.00 -1.47 0.00 0.00 33.84 31.52 2hdm n VAL 12 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2hdm s SER 13 N -6.44 -0.63 0.75 -1.34 0.01 -1.26 -5.17 113.70 99.62 2hdm s SER 13 Ca -0.23 1.10 -0.06 0.00 1.31 0.00 0.00 55.95 58.07 2hdm s SER 13 Cb 0.08 1.10 0.11 0.00 0.21 0.00 0.00 66.02 67.52 2hdm s SER 13 CO 0.72 -0.30 1.05 -0.76 0.41 0.00 0.00 173.24 174.36 2hdm s LEU 14 N -0.04 2.89 -0.01 2.44 1.43 -1.26 -4.53 118.68 119.61 2hdm s LEU 14 Ca -0.03 0.06 -0.08 0.00 -1.03 0.00 0.00 54.13 53.06 2hdm s LEU 14 Cb -0.04 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.71 2hdm s LEU 14 CO 0.03 -1.91 0.16 0.28 0.23 0.00 0.00 176.35 175.13 2hdm s THR 15 N -3.31 0.07 -1.08 5.49 -1.32 -1.18 -4.91 115.64 109.41 2hdm s THR 15 Ca 0.65 -0.60 0.09 0.00 -1.21 0.00 0.00 61.69 60.62 2hdm s THR 15 Cb -0.07 -0.43 0.07 0.00 -1.51 0.00 0.00 72.50 70.56 2hdm s THR 15 CO 0.46 -0.33 0.77 0.35 -2.21 0.00 0.00 174.62 173.67 2hdm n THR 16 N 1.61 0.00 -2.81 5.08 -2.24 -1.26 -2.13 114.28 112.54 2hdm n THR 16 Ca -0.21 -0.50 -0.41 0.00 -2.27 0.00 0.00 64.05 60.65 2hdm n THR 16 Cb 0.56 1.18 -0.03 0.00 -2.10 0.00 0.00 70.33 69.93 2hdm n THR 16 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2hdm s GLN 17 N -0.72 4.52 0.41 -0.78 -1.52 -1.26 -5.00 119.66 115.31 2hdm s GLN 17 Ca 0.10 1.26 -0.16 0.00 -1.95 0.00 0.00 55.36 54.62 2hdm s GLN 17 Cb 0.07 -3.46 -0.08 0.00 -0.22 0.00 0.00 33.01 29.32 2hdm s GLN 17 CO 0.11 -0.02 0.85 1.03 -0.25 0.00 0.00 175.29 177.01 2hdm s ARG 18 N 0.97 3.98 0.18 2.91 0.52 -1.26 -5.07 118.95 121.18 2hdm s ARG 18 Ca 0.48 0.79 0.10 0.00 -0.52 0.00 0.00 55.73 56.57 2hdm s ARG 18 Cb -0.20 -2.29 -0.04 0.00 0.52 0.00 0.00 34.95 32.93 2hdm s ARG 18 CO 0.25 -0.04 -0.17 -0.51 0.02 0.00 0.00 175.30 174.86 2hdm s LEU 19 N -3.51 2.71 0.25 2.53 1.02 -1.26 -5.10 118.68 115.33 2hdm s LEU 19 Ca 0.56 -0.70 -0.31 0.00 0.02 0.00 0.00 54.13 53.70 2hdm s LEU 19 Cb -0.10 -1.43 -0.11 0.00 0.02 0.00 0.00 46.19 44.56 2hdm s LEU 19 CO 0.23 0.12 1.61 -2.84 0.02 0.00 0.00 176.35 175.49 2hdm s PRO 20 N -2.71 4.15 0.47 1.29 0.02 -1.26 -4.86 135.00 132.10 2hdm s PRO 20 Ca 0.22 2.54 0.32 0.00 0.02 0.00 0.00 61.00 64.10 2hdm s PRO 20 Cb -0.09 -3.06 1.41 0.00 0.02 0.00 0.00 34.50 32.79 2hdm s PRO 20 CO 0.12 -0.64 1.94 0.00 -0.33 0.00 0.00 177.00 178.10 2hdm n SER 22 N -2.78 0.50 -0.92 0.00 2.88 -1.26 -2.60 113.62 109.44 2hdm n SER 22 Ca 0.00 0.59 0.12 0.00 -1.33 0.00 0.00 58.87 58.25 2hdm n SER 22 Cb 0.22 -0.71 0.26 0.00 -0.75 0.00 0.00 64.21 63.23 2hdm n SER 22 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2hdm n ARG 23 N -2.02 2.22 -2.73 -1.46 1.74 0.09 -4.90 116.66 109.59 2hdm n ARG 23 Ca 0.04 -1.83 -0.41 0.00 -0.77 0.00 0.00 57.85 54.89 2hdm n ARG 23 Cb 0.28 -1.47 -0.05 0.00 -1.02 0.00 0.00 32.46 30.20 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 -1.67 4.25 -0.03 0.55 -1.09 -1.07 -1.79 121.20 120.34 2hdm s ILE 24 Ca 0.35 2.07 -0.05 0.00 -2.23 0.00 0.00 60.65 60.79 2hdm s ILE 24 Cb 0.21 -4.32 -0.02 0.00 -1.58 0.00 0.00 42.46 36.75 2hdm s ILE 24 CO 0.30 0.41 -0.10 1.17 -1.23 0.00 0.00 174.94 175.50 2hdm n LYS 25 N 2.08 0.14 -4.00 2.79 4.81 -0.06 -4.66 118.16 119.26 2hdm n LYS 25 Ca 0.00 0.06 -0.10 0.00 -0.87 0.00 0.00 58.31 57.40 2hdm n LYS 25 Cb 0.48 -0.64 -0.08 0.00 0.02 0.00 0.00 35.03 34.81 2hdm n LYS 25 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 2hdm s THR 26 N -1.73 0.07 0.19 3.15 -1.32 -1.13 -5.00 115.64 109.85 2hdm s THR 26 Ca -0.08 -1.50 0.02 0.00 -1.21 0.00 0.00 61.69 58.92 2hdm s THR 26 Cb 0.01 -1.92 -0.05 0.00 -1.51 0.00 0.00 72.50 69.04 2hdm s THR 26 CO 0.12 -0.30 0.01 -0.72 -2.21 0.00 0.00 174.62 171.51 2hdm s TYR 27 N -3.99 1.29 -0.07 9.09 -0.85 -1.26 -0.15 117.35 121.41 2hdm s TYR 27 Ca 0.19 -1.01 -0.03 0.00 -0.52 0.00 0.00 57.07 55.71 2hdm s TYR 27 Cb 0.04 -0.74 0.04 0.00 0.38 0.00 0.00 41.96 41.68 2hdm s TYR 27 CO 0.01 -0.19 0.06 0.99 -1.52 0.00 0.00 175.55 174.91 2hdm s THR 28 N -3.62 -0.08 -0.12 -3.49 2.01 0.10 -4.93 115.64 105.51 2hdm s THR 28 Ca 0.26 0.27 -0.16 0.00 0.31 0.00 0.00 61.69 62.36 2hdm s THR 28 Cb 0.06 -0.27 -0.04 0.00 0.01 0.00 0.00 72.50 72.25 2hdm s THR 28 CO 0.05 0.07 0.41 -0.63 -0.69 0.00 0.00 174.62 173.84 2hdm s ILE 29 N 2.15 5.21 -0.10 1.82 1.01 -1.26 0.45 121.20 130.49 2hdm s ILE 29 Ca 0.04 0.81 0.04 0.00 0.00 0.00 0.00 60.65 61.55 2hdm s ILE 29 Cb -0.13 -3.75 -0.00 0.00 0.01 0.00 0.00 42.46 38.59 2hdm s ILE 29 CO -0.05 0.38 -0.24 0.42 0.00 0.00 0.00 174.94 175.45 2hdm s THR 30 N 0.37 2.04 -0.05 2.92 -4.23 0.89 -4.99 115.64 112.60 2hdm s THR 30 Ca 0.23 -1.01 0.03 0.00 -1.18 0.00 0.00 61.69 59.76 2hdm s THR 30 Cb -0.15 -1.76 0.00 0.00 1.34 0.00 0.00 72.50 71.93 2hdm s THR 30 CO 0.09 0.56 -0.14 -1.61 -0.54 0.00 0.00 174.62 172.97 2hdm s GLU 31 N 0.30 1.60 0.00 3.99 2.02 -1.26 -1.94 118.70 123.40 2hdm s GLU 31 Ca -0.17 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 54.32 2hdm s GLU 31 Cb -0.18 -1.38 0.00 0.00 0.10 0.00 0.00 34.13 32.68 2hdm s GLU 31 CO 0.08 0.16 0.00 0.41 0.02 0.00 0.00 175.26 175.93 2hdm n GLY 32 N 3.36 -1.06 4.93 -1.39 0.00 -1.26 -4.94 105.19 104.84 2hdm n GLY 32 Ca -0.19 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 0.00 -4.28 1.61 7.64 -1.26 -4.77 113.62 112.56 2hdm n SER 33 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.51 2hdm n SER 33 Cb 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 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 0.00 3.99 -0.34 -3.43 0.20 -1.26 -5.06 118.68 112.77 2hdm s LEU 34 Ca 0.00 -0.96 -0.14 0.00 0.69 0.00 0.00 54.13 53.72 2hdm s LEU 34 Cb 0.00 -1.84 -0.01 0.00 -0.43 0.00 0.00 46.19 43.91 2hdm s LEU 34 CO 0.00 -0.25 0.30 -0.13 -0.29 0.00 0.00 176.35 175.98 2hdm s ARG 35 N 1.42 3.50 0.01 1.98 0.52 -1.25 -4.28 118.95 120.84 2hdm s ARG 35 Ca -0.00 -0.56 -0.00 0.00 -0.52 0.00 0.00 55.73 54.65 2hdm s ARG 35 Cb -0.18 -3.81 -0.01 0.00 0.52 0.00 0.00 34.95 31.47 2hdm s ARG 35 CO 0.02 -0.50 -0.00 0.00 0.02 0.00 0.00 175.30 174.84 2hdm s ALA 36 N 1.86 0.03 -0.28 2.13 0.00 -0.82 -4.57 121.76 120.11 2hdm s ALA 36 Ca 0.09 -0.22 -0.06 0.00 0.00 0.00 0.00 51.96 51.76 2hdm s ALA 36 Cb -0.17 0.05 -0.00 0.00 0.00 0.00 0.00 23.12 23.00 2hdm s ALA 36 CO 0.11 -0.07 0.06 0.54 0.00 0.00 0.00 175.76 176.40 2hdm s VAL 37 N -0.59 3.94 -0.34 0.00 0.11 -0.91 -0.08 120.40 122.53 2hdm s VAL 37 Ca -0.06 -0.57 -0.15 0.00 -2.93 0.00 0.00 61.98 58.27 2hdm s VAL 37 Cb -0.04 -2.97 -0.01 0.00 -1.53 0.00 0.00 36.38 31.83 2hdm s VAL 37 CO -0.00 0.18 0.33 -0.63 -3.33 0.00 0.00 175.10 171.64 2hdm s ILE 38 N 1.52 5.20 -0.17 7.04 1.01 0.17 -1.07 121.20 134.89 2hdm s ILE 38 Ca 0.04 -0.04 -0.11 0.00 0.00 0.00 0.00 60.65 60.54 2hdm s ILE 38 Cb -0.16 -3.80 -0.05 0.00 0.01 0.00 0.00 42.46 38.46 2hdm s ILE 38 CO 0.02 -0.08 0.18 -0.36 0.00 0.00 0.00 174.94 174.69 2hdm s PHE 39 N 1.94 3.47 -0.22 3.97 0.08 0.18 0.02 117.98 127.43 2hdm s PHE 39 Ca 0.10 0.45 -0.12 0.00 0.12 0.00 0.00 56.93 57.48 2hdm s PHE 39 Cb -0.17 -2.17 -0.05 0.00 -0.57 0.00 0.00 43.02 40.07 2hdm s PHE 39 CO 0.11 0.37 0.24 0.42 -0.10 0.00 0.00 175.22 176.27 2hdm s ILE 40 N 0.09 5.31 0.75 0.64 -1.09 0.79 0.22 121.20 127.92 2hdm s ILE 40 Ca 0.12 0.38 -0.10 0.00 -2.23 0.00 0.00 60.65 58.82 2hdm s ILE 40 Cb -0.12 -3.58 0.06 0.00 -1.58 0.00 0.00 42.46 37.25 2hdm s ILE 40 CO 0.01 0.33 1.10 0.28 -1.23 0.00 0.00 174.94 175.44 2hdm s THR 41 N 0.99 2.29 0.44 2.92 -1.32 0.32 -0.88 115.64 120.40 2hdm s THR 41 Ca 0.12 -0.05 0.35 0.00 -1.21 0.00 0.00 61.69 60.90 2hdm s THR 41 Cb -0.14 -3.06 0.38 0.00 -1.51 0.00 0.00 72.50 68.17 2hdm s THR 41 CO 0.05 -0.07 2.17 0.11 -2.21 0.00 0.00 174.62 174.66 2hdm h LYS 42 N -0.83 0.00 0.00 7.08 1.57 -1.62 0.84 116.57 123.61 2hdm h LYS 42 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2hdm h LYS 42 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 2hdm h LYS 42 CO 0.64 0.04 0.00 -0.09 -0.57 0.00 0.00 179.45 179.47 2hdm h ARG 43 N 0.00 0.00 0.00 3.15 2.43 -1.92 -3.46 114.38 114.57 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 0.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 2hdm h ARG 43 CO 0.01 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.88 2hdm n GLY 44 N 0.65 0.92 3.86 2.80 0.00 0.29 -5.07 105.19 108.64 2hdm n GLY 44 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 4.20 -0.29 0.99 1.43 -1.25 -4.85 118.68 118.91 2hdm s LEU 45 Ca 0.00 1.04 -0.11 0.00 -1.03 0.00 0.00 54.13 54.03 2hdm s LEU 45 Cb 0.00 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.54 2hdm s LEU 45 CO 0.00 -0.05 0.18 -1.59 0.23 0.00 0.00 176.35 175.12 2hdm s LYS 46 N -2.60 3.77 0.09 1.70 -2.85 -1.26 -0.52 119.74 118.06 2hdm s LYS 46 Ca 0.46 -0.44 0.08 0.00 -1.00 0.00 0.00 55.97 55.07 2hdm s LYS 46 Cb -0.12 -3.64 -0.04 0.00 -2.06 0.00 0.00 37.83 31.97 2hdm s LYS 46 CO 0.20 -0.26 -0.18 0.08 0.10 0.00 0.00 175.35 175.30 2hdm s VAL 47 N 1.72 2.86 -0.05 1.79 1.01 0.13 -4.99 120.40 122.87 2hdm s VAL 47 Ca 0.07 -1.40 0.05 0.00 0.00 0.00 0.00 61.98 60.70 2hdm s VAL 47 Cb -0.16 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 2hdm s VAL 47 CO 0.10 0.17 -0.22 0.00 0.00 0.00 0.00 175.10 175.14 2hdm s ALA 49 N -0.07 0.85 -0.17 0.00 0.00 -0.24 -3.08 121.76 119.06 2hdm s ALA 49 Ca -0.04 -0.99 -0.29 0.00 0.00 0.00 0.00 51.96 50.63 2hdm s ALA 49 Cb -0.13 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 2hdm s ALA 49 CO 0.03 -0.03 1.25 0.34 0.00 0.00 0.00 175.76 177.35 2hdm s ASP 50 N -2.04 6.95 0.00 0.00 2.15 -0.90 -2.15 116.67 120.67 2hdm s ASP 50 Ca -0.02 1.67 0.09 0.00 0.43 0.00 0.00 52.55 54.73 2hdm s ASP 50 Cb -0.06 -2.54 0.42 0.00 -0.30 0.00 0.00 42.92 40.44 2hdm s ASP 50 CO -0.00 -0.76 1.25 -0.81 -0.17 0.00 0.00 175.17 174.68 2hdm n PRO 51 N 6.60 0.05 0.03 4.34 -0.04 -1.26 -1.61 135.00 143.11 2hdm n PRO 51 Ca 0.14 0.29 0.11 0.00 -0.04 0.00 0.00 63.50 64.00 2hdm n PRO 51 Cb 0.45 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.48 2hdm n PRO 51 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2hdm n GLN 52 N -1.42 0.26 -2.21 0.54 6.02 -1.26 -4.35 117.38 114.97 2hdm n GLN 52 Ca 0.03 0.02 -0.41 0.00 -0.01 0.00 0.00 57.00 56.63 2hdm n GLN 52 Cb 0.09 -1.61 -0.03 0.00 1.02 0.00 0.00 30.24 29.72 2hdm n GLN 52 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2hdm s ALA 53 N -3.17 3.49 0.28 -1.58 0.00 -0.63 -4.88 121.76 115.26 2hdm s ALA 53 Ca 0.05 1.15 -0.04 0.00 0.00 0.00 0.00 51.96 53.12 2hdm s ALA 53 Cb 0.14 -3.45 0.36 0.00 0.00 0.00 0.00 23.12 20.18 2hdm s ALA 53 CO 0.78 -0.52 1.95 1.15 0.00 0.00 0.00 175.76 179.11 2hdm h THR 54 N 3.25 1.22 -0.09 0.00 2.02 -1.90 0.14 112.91 117.55 2hdm h THR 54 Ca -0.47 -0.42 -0.13 0.00 0.77 0.00 0.00 66.41 66.16 2hdm h THR 54 Cb 1.22 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 2hdm h THR 54 CO 0.69 0.22 -0.52 4.11 0.37 0.00 0.00 175.52 180.40 2hdm h TRP 55 N 1.23 0.30 0.01 3.16 5.08 -1.94 -1.24 115.95 122.55 2hdm h TRP 55 Ca 0.34 -0.10 -0.00 0.00 1.08 0.00 0.00 58.89 60.21 2hdm h TRP 55 Cb -0.12 -0.06 0.00 0.00 -3.00 0.00 0.00 29.16 25.98 2hdm h TRP 55 CO -0.00 0.71 -0.00 0.28 -1.28 0.00 0.00 178.44 178.15 2hdm h VAL 56 N 0.19 1.39 -0.62 0.12 2.07 -1.63 -1.04 116.25 116.74 2hdm h VAL 56 Ca 0.01 -1.22 0.10 0.00 0.82 0.00 0.00 66.70 66.41 2hdm h VAL 56 Cb 0.98 2.21 -0.04 0.00 -1.52 0.00 0.00 31.29 32.92 2hdm h VAL 56 CO 0.08 0.31 0.41 0.03 0.02 0.00 0.00 177.57 178.43 2hdm h ARG 57 N -0.54 0.42 -0.09 1.57 3.08 -0.54 0.29 114.38 118.59 2hdm h ARG 57 Ca -0.00 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.92 2hdm h ARG 57 Cb 0.52 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.48 2hdm h ARG 57 CO 0.00 0.28 -0.34 0.22 -1.07 0.00 0.00 179.97 179.06 2hdm h ASP 58 N 0.44 0.45 0.47 7.04 3.58 -1.14 -3.01 116.42 124.25 2hdm h ASP 58 Ca 0.28 -0.63 -0.27 0.00 0.42 0.00 0.00 57.03 56.83 2hdm h ASP 58 Cb 0.54 -0.13 0.01 0.00 1.72 0.00 0.00 39.33 41.46 2hdm h ASP 58 CO -0.08 1.00 -1.18 0.00 -2.88 0.00 0.00 179.24 176.10 2hdm h VAL 60 N 0.14 0.63 0.12 0.00 3.04 -0.61 -1.50 116.25 118.08 2hdm h VAL 60 Ca -0.14 -0.44 -0.24 0.00 -1.01 0.00 0.00 66.70 64.88 2hdm h VAL 60 Cb 1.88 1.27 0.00 0.00 -2.01 0.00 0.00 31.29 32.44 2hdm h VAL 60 CO 0.20 0.10 -1.17 -0.09 -1.01 0.00 0.00 177.57 175.61 2hdm h ARG 61 N 0.00 0.25 -0.75 4.17 2.43 -1.37 -3.25 114.38 115.87 2hdm h ARG 61 Ca -0.00 -0.43 0.08 0.00 -0.81 0.00 0.00 59.98 58.82 2hdm h ARG 61 Cb 0.27 0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 29.91 2hdm h ARG 61 CO 0.01 1.21 0.41 1.03 -1.51 0.00 0.00 179.97 181.12 2hdm h SER 62 N -0.36 0.58 0.45 -3.80 0.87 0.28 0.56 113.55 112.14 2hdm h SER 62 Ca -0.24 0.05 -0.11 0.00 -1.23 0.00 0.00 61.79 60.25 2hdm h SER 62 Cb 1.69 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.57 2hdm h SER 62 CO 0.08 0.35 -0.50 0.24 -0.53 0.00 0.00 176.83 176.47 2hdm h MET 63 N 0.71 0.06 0.00 2.24 2.86 -1.46 -2.87 114.93 116.48 2hdm h MET 63 Ca 0.36 -0.03 -0.16 0.00 -2.06 0.00 0.00 59.70 57.80 2hdm h MET 63 Cb 0.31 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 2hdm h MET 63 CO -0.23 0.55 -0.76 0.22 1.06 0.00 0.00 176.91 177.74 2hdm h ASP 64 N 0.05 0.00 0.89 1.22 3.58 -1.22 -3.24 116.42 117.70 2hdm h ASP 64 Ca -0.00 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.29 2hdm h ASP 64 Cb 0.90 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.93 2hdm h ASP 64 CO 0.07 0.76 -0.75 0.03 -2.88 0.00 0.00 179.24 176.47 2hdm h ARG 65 N 0.00 0.00 0.00 0.28 3.08 -0.76 -3.29 114.38 113.69 2hdm h ARG 65 Ca -0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 2hdm h ARG 65 Cb 1.40 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.45 2hdm h ARG 65 CO 0.10 0.75 -0.08 1.57 -1.07 0.00 0.00 179.97 181.24 2hdm h LYS 66 N 0.00 0.00 -7.71 0.04 2.10 -1.53 -3.45 116.57 106.02 2hdm h LYS 66 Ca -0.01 0.00 -0.46 0.00 -2.00 0.00 0.00 60.65 58.18 2hdm h LYS 66 Cb 1.40 0.00 0.13 0.00 -0.90 0.00 0.00 32.23 32.86 2hdm h LYS 66 CO 0.10 0.08 0.41 -1.12 -2.00 0.00 0.00 179.45 176.92 2hdm s SER 67 N -5.87 3.85 0.00 7.07 0.01 -1.24 -4.93 113.70 112.58 2hdm s SER 67 Ca 0.00 0.56 0.02 0.00 1.31 0.00 0.00 55.95 57.84 2hdm s SER 67 Cb 0.10 -0.85 0.09 0.00 0.21 0.00 0.00 66.02 65.57 2hdm s SER 67 CO 0.57 -2.30 1.06 0.59 0.41 0.00 0.00 173.24 173.57 2hdm n ASN 68 N -3.54 0.17 -4.68 2.44 3.02 -1.26 -4.78 115.26 106.64 2hdm n ASN 68 Ca 0.11 -1.97 -0.43 0.00 -0.03 0.00 0.00 54.58 52.27 2hdm n ASN 68 Cb 0.60 -0.02 -0.02 0.00 -0.61 0.00 0.00 39.78 39.73 2hdm n ASN 68 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2hdm s THR 69 N -1.96 4.59 0.00 3.41 -4.23 -1.26 -5.02 115.64 111.18 2hdm s THR 69 Ca 0.04 1.89 0.03 0.00 -1.18 0.00 0.00 61.69 62.47 2hdm s THR 69 Cb 0.02 -4.22 -0.01 0.00 1.34 0.00 0.00 72.50 69.63 2hdm s THR 69 CO 0.03 -0.06 -0.10 -0.13 -0.54 0.00 0.00 174.62 173.82 2hdm s ARG 70 N 2.49 0.77 0.04 3.99 0.52 -1.26 -4.87 118.95 120.63 2hdm s ARG 70 Ca 0.50 -0.42 0.09 0.00 -0.52 0.00 0.00 55.73 55.37 2hdm s ARG 70 Cb -0.19 -0.73 -0.03 0.00 0.52 0.00 0.00 34.95 34.52 2hdm s ARG 70 CO 0.16 0.20 -0.26 1.21 0.02 0.00 0.00 175.30 176.62 2hdm s ASN 71 N -0.44 3.18 -0.70 0.23 2.47 -1.26 -5.07 114.94 113.35 2hdm s ASN 71 Ca 0.02 -0.58 -0.27 0.00 0.42 0.00 0.00 52.86 52.45 2hdm s ASN 71 Cb -0.05 -0.30 0.03 0.00 -1.45 0.00 0.00 41.25 39.48 2hdm s ASN 71 CO -0.00 0.26 1.26 0.21 -3.72 0.00 0.00 177.10 175.11 2hdm s ASN 72 N -1.20 6.24 -0.35 -4.21 3.84 -1.26 -4.96 114.94 113.04 2hdm s ASN 72 Ca 0.12 -0.30 -0.12 0.00 0.21 0.00 0.00 52.86 52.76 2hdm s ASN 72 Cb -0.10 -2.56 -0.00 0.00 -0.55 0.00 0.00 41.25 38.04 2hdm s ASN 72 CO 0.02 -1.74 0.22 -0.04 -2.79 0.00 0.00 177.10 172.76 2hdm s MET 73 N 5.53 3.25 -0.84 0.43 -1.94 -1.26 -5.01 119.30 119.46 2hdm s MET 73 Ca 0.37 -0.80 -0.25 0.00 -1.71 0.00 0.00 55.69 53.30 2hdm s MET 73 Cb -0.08 -3.75 0.03 0.00 2.01 0.00 0.00 34.83 33.04 2hdm s MET 73 CO 0.18 -0.53 1.43 0.42 -0.01 0.00 0.00 175.02 176.51 2hdm s ILE 74 N 1.65 3.75 0.00 2.53 -1.09 -1.26 -5.33 121.20 121.45 2hdm s ILE 74 Ca 0.05 -0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.39 2hdm s ILE 74 Cb -0.18 -4.84 0.00 0.00 -1.58 0.00 0.00 42.46 35.86 2hdm s ILE 74 CO 0.09 -1.76 0.00 1.67 -1.23 0.00 0.00 174.94 173.70