#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 8.49 -3.68 1.61 7.64 -1.26 -4.67 113.62 121.76 2hdm n SER 3 Ca 0.00 -2.74 -0.28 0.00 1.01 0.00 0.00 58.87 56.86 2hdm n SER 3 Cb 0.00 -1.50 -0.11 0.00 -1.01 0.00 0.00 64.21 61.58 2hdm n SER 3 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2hdm s GLU 4 N 1.21 1.67 -0.58 1.43 0.41 -1.26 -4.99 118.70 116.59 2hdm s GLU 4 Ca 0.65 -2.64 0.04 0.00 -0.41 0.00 0.00 54.97 52.61 2hdm s GLU 4 Cb 0.18 -2.48 0.15 0.00 -1.78 0.00 0.00 34.13 30.21 2hdm s GLU 4 CO -0.07 -1.30 0.37 0.14 -0.49 0.00 0.00 175.26 173.91 2hdm s VAL 5 N -0.56 2.35 -0.37 2.63 -7.23 -1.26 -5.08 120.40 110.88 2hdm s VAL 5 Ca 0.27 -3.60 -0.29 0.00 -1.81 0.00 0.00 61.98 56.55 2hdm s VAL 5 Cb -0.05 -2.58 0.00 0.00 0.56 0.00 0.00 36.38 34.31 2hdm s VAL 5 CO -0.15 -0.95 1.42 -0.44 -0.31 0.00 0.00 175.10 174.68 2hdm s SER 6 N -0.71 6.39 -0.07 4.85 0.01 -1.26 -4.84 113.70 118.07 2hdm s SER 6 Ca 0.22 0.99 -0.14 0.00 1.31 0.00 0.00 55.95 58.33 2hdm s SER 6 Cb -0.13 -2.54 -0.30 0.00 0.21 0.00 0.00 66.02 63.27 2hdm s SER 6 CO -0.10 -1.36 0.65 0.44 0.41 0.00 0.00 173.24 173.29 2hdm h ASP 7 N 10.52 0.52 0.00 2.44 5.19 -2.00 -3.48 116.42 129.61 2hdm h ASP 7 Ca -0.28 -0.90 0.00 0.00 -0.62 0.00 0.00 57.03 55.23 2hdm h ASP 7 Cb 1.11 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.45 2hdm h ASP 7 CO 1.07 1.68 0.00 2.29 -3.12 0.00 0.00 179.24 181.16 2hdm n LYS 8 N -3.79 0.00 -0.08 3.56 2.85 -1.26 -5.04 118.16 114.40 2hdm n LYS 8 Ca -0.24 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 56.86 2hdm n LYS 8 Cb 0.98 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 35.30 2hdm n LYS 8 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2hdm n ARG 9 N -2.22 0.38 0.00 -1.58 1.74 -1.26 -4.98 116.66 108.74 2hdm n ARG 9 Ca 0.00 0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 2hdm n ARG 9 Cb 0.00 -1.15 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 2hdm n ARG 9 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2hdm n THR 10 N -3.90 0.00 -4.53 0.55 -1.04 -1.26 -4.89 114.28 99.21 2hdm n THR 10 Ca -0.30 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.39 2hdm n THR 10 Cb 0.67 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 69.07 2hdm n THR 10 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2hdm n VAL 12 N 1.60 0.00 -3.44 0.00 0.31 -1.26 -5.06 118.33 110.47 2hdm n VAL 12 Ca -0.16 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 63.85 2hdm n VAL 12 Cb 0.52 -0.94 -0.05 0.00 -0.91 0.00 0.00 33.84 32.46 2hdm n VAL 12 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2hdm s SER 13 N -4.46 6.62 -0.02 4.52 1.04 -1.26 -5.01 113.70 115.13 2hdm s SER 13 Ca 0.00 0.89 -0.05 0.00 0.48 0.00 0.00 55.95 57.27 2hdm s SER 13 Cb 0.00 -2.21 -0.04 0.00 0.10 0.00 0.00 66.02 63.86 2hdm s SER 13 CO 0.00 -0.04 0.22 -0.76 0.98 0.00 0.00 173.24 173.64 2hdm s LEU 14 N -2.72 4.37 0.58 2.42 1.02 -1.26 -4.30 118.68 118.80 2hdm s LEU 14 Ca 0.46 0.47 -0.06 0.00 0.02 0.00 0.00 54.13 55.02 2hdm s LEU 14 Cb -0.12 -2.57 0.00 0.00 0.02 0.00 0.00 46.19 43.53 2hdm s LEU 14 CO 0.21 0.28 0.89 0.28 0.02 0.00 0.00 176.35 178.03 2hdm s THR 15 N -1.27 3.77 -0.56 5.49 -1.32 0.15 -4.94 115.64 116.96 2hdm s THR 15 Ca 0.26 0.02 0.05 0.00 -1.21 0.00 0.00 61.69 60.81 2hdm s THR 15 Cb -0.13 -3.49 0.08 0.00 -1.51 0.00 0.00 72.50 67.45 2hdm s THR 15 CO 0.15 -0.50 0.82 1.07 -2.21 0.00 0.00 174.62 173.95 2hdm n THR 16 N -2.55 0.35 -4.14 5.08 5.66 -1.26 -4.58 114.28 112.84 2hdm n THR 16 Ca 0.04 -0.68 -0.23 0.00 -3.05 0.00 0.00 64.05 60.14 2hdm n THR 16 Cb 0.57 0.89 -0.05 0.00 -1.55 0.00 0.00 70.33 70.19 2hdm n THR 16 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2hdm s GLN 17 N -0.63 2.81 0.30 1.09 -2.07 -1.26 -5.12 119.66 114.79 2hdm s GLN 17 Ca 0.08 -1.08 0.06 0.00 -1.82 0.00 0.00 55.36 52.60 2hdm s GLN 17 Cb 0.05 -2.51 -0.02 0.00 -1.09 0.00 0.00 33.01 29.44 2hdm s GLN 17 CO 0.07 0.41 0.42 1.03 -1.32 0.00 0.00 175.29 175.90 2hdm s ARG 18 N -3.67 3.20 0.02 9.60 0.52 -1.26 -5.07 118.95 122.29 2hdm s ARG 18 Ca 0.32 -0.94 0.06 0.00 -0.52 0.00 0.00 55.73 54.65 2hdm s ARG 18 Cb -0.08 -2.83 -0.02 0.00 0.52 0.00 0.00 34.95 32.54 2hdm s ARG 18 CO 0.24 0.19 -0.19 -0.51 0.02 0.00 0.00 175.30 175.05 2hdm s LEU 19 N -4.10 2.11 0.40 2.53 1.02 -1.26 -5.12 118.68 114.27 2hdm s LEU 19 Ca 0.41 -0.44 -0.27 0.00 0.02 0.00 0.00 54.13 53.85 2hdm s LEU 19 Cb -0.09 -0.92 -0.10 0.00 0.02 0.00 0.00 46.19 45.09 2hdm s LEU 19 CO 0.30 0.17 1.46 -2.65 0.02 0.00 0.00 176.35 175.66 2hdm n PRO 20 N 2.18 2.52 0.21 1.29 -0.02 -1.26 -4.87 135.00 135.05 2hdm n PRO 20 Ca -0.16 0.89 0.15 0.00 -2.02 0.00 0.00 63.50 62.35 2hdm n PRO 20 Cb 0.54 -2.65 0.56 0.00 -0.02 0.00 0.00 33.50 31.93 2hdm n PRO 20 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hdm h SER 22 N 0.00 0.00 -0.02 0.00 0.02 -2.04 -2.86 113.55 108.65 2hdm h SER 22 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2hdm h SER 22 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 2hdm h SER 22 CO 0.00 0.00 -0.20 0.54 -1.14 0.00 0.00 176.83 176.03 2hdm n ARG 23 N -2.73 1.74 -2.25 3.45 1.74 -0.16 -4.90 116.66 113.55 2hdm n ARG 23 Ca 0.02 -1.43 -0.42 0.00 -0.77 0.00 0.00 57.85 55.25 2hdm n ARG 23 Cb 0.32 -1.42 -0.03 0.00 -1.02 0.00 0.00 32.46 30.31 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 -2.06 3.76 -0.26 0.55 -1.09 -1.08 -2.48 121.20 118.53 2hdm s ILE 24 Ca 0.22 1.14 -0.16 0.00 -2.23 0.00 0.00 60.65 59.63 2hdm s ILE 24 Cb 0.18 -3.73 -0.13 0.00 -1.58 0.00 0.00 42.46 37.19 2hdm s ILE 24 CO 0.39 0.00 -0.24 1.17 -1.23 0.00 0.00 174.94 175.03 2hdm n LYS 25 N 5.31 0.58 -3.67 2.79 0.00 -0.16 -4.82 118.16 118.19 2hdm n LYS 25 Ca 0.13 0.32 -0.10 0.00 0.00 0.00 0.00 58.31 58.66 2hdm n LYS 25 Cb 0.44 -1.54 -0.03 0.00 0.00 0.00 0.00 35.03 33.90 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 -2.49 0.02 0.18 3.15 -1.32 -1.14 -5.02 115.64 109.02 2hdm s THR 26 Ca -0.36 -0.59 0.07 0.00 -1.21 0.00 0.00 61.69 59.59 2hdm s THR 26 Cb 0.13 -1.47 -0.04 0.00 -1.51 0.00 0.00 72.50 69.60 2hdm s THR 26 CO 0.51 -0.07 -0.14 -0.72 -2.21 0.00 0.00 174.62 171.98 2hdm s TYR 27 N -3.84 1.63 -0.05 9.09 -0.85 -1.26 -0.87 117.35 121.19 2hdm s TYR 27 Ca 0.07 -0.58 -0.02 0.00 -0.52 0.00 0.00 57.07 56.02 2hdm s TYR 27 Cb -0.02 -0.78 0.03 0.00 0.38 0.00 0.00 41.96 41.57 2hdm s TYR 27 CO -0.04 0.29 0.06 0.95 -1.52 0.00 0.00 175.55 175.29 2hdm s THR 28 N -2.77 -0.07 -0.20 -3.49 -4.23 0.93 -4.95 115.64 100.85 2hdm s THR 28 Ca 0.19 0.36 -0.19 0.00 -1.18 0.00 0.00 61.69 60.86 2hdm s THR 28 Cb -0.02 -0.22 -0.03 0.00 1.34 0.00 0.00 72.50 73.58 2hdm s THR 28 CO 0.06 0.15 0.57 -0.63 -0.54 0.00 0.00 174.62 174.22 2hdm s ILE 29 N 2.15 5.06 0.11 2.99 1.01 -1.26 0.58 121.20 131.84 2hdm s ILE 29 Ca 0.05 1.05 0.07 0.00 0.00 0.00 0.00 60.65 61.82 2hdm s ILE 29 Cb -0.12 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 2hdm s ILE 29 CO -0.04 0.14 -0.11 0.42 0.00 0.00 0.00 174.94 175.35 2hdm s THR 30 N 1.81 3.28 -0.01 2.92 -4.23 0.17 -4.97 115.64 114.61 2hdm s THR 30 Ca 0.26 -1.31 0.02 0.00 -1.18 0.00 0.00 61.69 59.47 2hdm s THR 30 Cb -0.16 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.16 2hdm s THR 30 CO 0.10 0.11 -0.06 -0.70 -0.54 0.00 0.00 174.62 173.52 2hdm s GLU 31 N -2.20 0.61 0.00 3.99 2.12 -1.26 -2.07 118.70 119.88 2hdm s GLU 31 Ca 0.21 -0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.33 2hdm s GLU 31 Cb -0.11 -0.60 0.00 0.00 0.26 0.00 0.00 34.13 33.68 2hdm s GLU 31 CO 0.13 0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.35 2hdm n GLY 32 N 3.19 -2.16 0.13 -1.50 0.00 -1.26 -4.94 105.19 98.65 2hdm n GLY 32 Ca -0.16 0.76 -0.22 0.00 0.00 0.00 0.00 46.02 46.40 2hdm n GLY 32 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2hdm h SER 33 N 0.00 0.49 -5.14 1.61 4.64 -2.00 -3.48 113.55 109.67 2hdm h SER 33 Ca 0.00 -0.90 -0.11 0.00 -0.47 0.00 0.00 61.79 60.32 2hdm h SER 33 Cb 0.00 -0.16 -0.16 0.00 -0.31 0.00 0.00 62.40 61.77 2hdm h SER 33 CO 0.00 1.66 -0.48 -0.76 -0.87 0.00 0.00 176.83 176.38 2hdm s LEU 34 N -7.51 1.73 -0.44 5.97 1.43 -1.26 -5.12 118.68 113.48 2hdm s LEU 34 Ca -0.17 -0.66 -0.20 0.00 -1.03 0.00 0.00 54.13 52.07 2hdm s LEU 34 Cb 0.04 0.74 0.03 0.00 0.03 0.00 0.00 46.19 47.03 2hdm s LEU 34 CO 0.81 -0.62 0.63 -0.13 0.23 0.00 0.00 176.35 177.26 2hdm s ARG 35 N -3.38 3.25 0.03 1.70 0.52 -1.26 -4.27 118.95 115.54 2hdm s ARG 35 Ca 0.01 -0.44 0.07 0.00 -0.52 0.00 0.00 55.73 54.86 2hdm s ARG 35 Cb 0.03 -3.96 -0.02 0.00 0.52 0.00 0.00 34.95 31.51 2hdm s ARG 35 CO -0.08 -1.01 -0.22 0.00 0.02 0.00 0.00 175.30 174.01 2hdm s ALA 36 N 2.76 1.82 -0.36 2.13 0.00 -0.88 -4.64 121.76 122.59 2hdm s ALA 36 Ca 0.21 -1.06 -0.19 0.00 0.00 0.00 0.00 51.96 50.92 2hdm s ALA 36 Cb -0.15 -0.38 0.00 0.00 0.00 0.00 0.00 23.12 22.60 2hdm s ALA 36 CO 0.18 0.42 0.55 0.08 0.00 0.00 0.00 175.76 176.99 2hdm s VAL 37 N -0.75 4.98 -0.40 0.00 1.01 -0.48 -0.65 120.40 124.10 2hdm s VAL 37 Ca 0.08 0.37 -0.18 0.00 0.00 0.00 0.00 61.98 62.25 2hdm s VAL 37 Cb -0.09 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.30 2hdm s VAL 37 CO 0.01 -0.27 0.51 -0.63 0.00 0.00 0.00 175.10 174.72 2hdm s ILE 38 N 2.49 5.01 -0.13 2.22 1.01 0.20 -0.07 121.20 131.91 2hdm s ILE 38 Ca 0.20 -0.02 -0.16 0.00 0.00 0.00 0.00 60.65 60.67 2hdm s ILE 38 Cb -0.15 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 2hdm s ILE 38 CO 0.14 -0.39 0.39 -0.36 0.00 0.00 0.00 174.94 174.73 2hdm s PHE 39 N 2.37 3.49 -0.17 3.97 0.08 0.85 -0.05 117.98 128.53 2hdm s PHE 39 Ca 0.17 0.76 -0.07 0.00 0.12 0.00 0.00 56.93 57.91 2hdm s PHE 39 Cb -0.16 -2.45 -0.04 0.00 -0.57 0.00 0.00 43.02 39.80 2hdm s PHE 39 CO 0.15 0.21 0.05 0.42 -0.10 0.00 0.00 175.22 175.94 2hdm s ILE 40 N 0.52 4.67 0.85 0.64 -1.09 -0.05 -1.23 121.20 125.52 2hdm s ILE 40 Ca 0.22 -0.08 -0.13 0.00 -2.23 0.00 0.00 60.65 58.43 2hdm s ILE 40 Cb -0.14 -3.09 0.11 0.00 -1.58 0.00 0.00 42.46 37.76 2hdm s ILE 40 CO 0.07 0.48 1.20 0.42 -1.23 0.00 0.00 174.94 175.89 2hdm s THR 41 N 0.23 2.00 -1.12 2.92 -4.23 -0.59 -0.98 115.64 113.86 2hdm s THR 41 Ca 0.03 0.00 0.16 0.00 -1.18 0.00 0.00 61.69 60.70 2hdm s THR 41 Cb -0.12 -2.97 0.18 0.00 1.34 0.00 0.00 72.50 70.92 2hdm s THR 41 CO 0.01 0.00 1.51 0.29 -0.54 0.00 0.00 174.62 175.88 2hdm n LYS 42 N -3.45 0.06 0.05 3.99 5.02 -1.04 -0.88 118.16 121.91 2hdm n LYS 42 Ca 0.09 0.20 0.12 0.00 -2.02 0.00 0.00 58.31 56.70 2hdm n LYS 42 Cb 0.61 -1.50 0.21 0.00 -0.02 0.00 0.00 35.03 34.33 2hdm n LYS 42 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2hdm n ARG 43 N -1.44 0.22 -0.22 1.97 0.63 -1.26 -4.95 116.66 111.61 2hdm n ARG 43 Ca 0.05 0.07 0.00 0.00 -0.92 0.00 0.00 57.85 57.05 2hdm n ARG 43 Cb 0.17 -1.64 0.00 0.00 0.45 0.00 0.00 32.46 31.44 2hdm n ARG 43 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2hdm n GLY 44 N 1.38 0.88 3.85 5.14 0.00 -0.06 -5.07 105.19 111.30 2hdm n GLY 44 Ca 0.04 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 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 4.34 -0.29 0.99 1.43 -1.25 -4.83 118.68 119.06 2hdm s LEU 45 Ca 0.00 1.03 -0.14 0.00 -1.03 0.00 0.00 54.13 53.99 2hdm s LEU 45 Cb 0.00 -3.23 -0.03 0.00 0.03 0.00 0.00 46.19 42.95 2hdm s LEU 45 CO 0.00 0.11 0.33 -0.54 0.23 0.00 0.00 176.35 176.48 2hdm s LYS 46 N -1.97 3.88 0.07 1.70 1.02 -1.26 -1.54 119.74 121.64 2hdm s LYS 46 Ca 0.37 -0.17 0.07 0.00 0.02 0.00 0.00 55.97 56.26 2hdm s LYS 46 Cb -0.15 -3.70 -0.03 0.00 -0.52 0.00 0.00 37.83 33.44 2hdm s LYS 46 CO 0.19 -0.32 -0.18 0.08 -0.92 0.00 0.00 175.35 174.20 2hdm s VAL 47 N 1.98 1.44 -0.07 3.17 1.01 -0.37 -4.98 120.40 122.58 2hdm s VAL 47 Ca 0.12 -1.33 0.06 0.00 0.00 0.00 0.00 61.98 60.83 2hdm s VAL 47 Cb -0.16 -1.31 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 2hdm s VAL 47 CO 0.11 -0.05 -0.25 0.00 0.00 0.00 0.00 175.10 174.91 2hdm s ALA 49 N -0.07 0.75 -0.02 0.00 0.00 0.90 0.33 121.76 123.65 2hdm s ALA 49 Ca -0.06 -0.94 -0.30 0.00 0.00 0.00 0.00 51.96 50.65 2hdm s ALA 49 Cb -0.15 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 2hdm s ALA 49 CO 0.05 -0.05 1.22 -0.51 0.00 0.00 0.00 175.76 176.46 2hdm s ASP 50 N -1.98 7.04 0.32 0.00 1.01 -1.26 -1.38 116.67 120.42 2hdm s ASP 50 Ca -0.03 1.89 0.23 0.00 0.71 0.00 0.00 52.55 55.35 2hdm s ASP 50 Cb -0.06 -2.56 1.18 0.00 1.01 0.00 0.00 42.92 42.48 2hdm s ASP 50 CO -0.01 -0.56 1.69 -0.81 0.21 0.00 0.00 175.17 175.69 2hdm n PRO 51 N 4.87 0.15 0.00 8.23 -0.04 -1.26 -0.85 135.00 146.10 2hdm n PRO 51 Ca 0.11 0.61 0.12 0.00 -0.04 0.00 0.00 63.50 64.30 2hdm n PRO 51 Cb 0.46 -1.96 0.23 0.00 -0.04 0.00 0.00 33.50 32.19 2hdm n PRO 51 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hdm n GLN 52 N -2.28 1.32 -2.52 0.54 10.64 -1.26 -4.39 117.38 119.43 2hdm n GLN 52 Ca -0.01 -0.96 -0.41 0.00 -1.83 0.00 0.00 57.00 53.79 2hdm n GLN 52 Cb 0.07 -1.48 -0.04 0.00 -0.86 0.00 0.00 30.24 27.93 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 -2.34 3.34 0.36 2.61 0.00 -0.03 -4.91 121.76 120.79 2hdm s ALA 53 Ca 0.25 0.78 0.08 0.00 0.00 0.00 0.00 51.96 53.07 2hdm s ALA 53 Cb 0.19 -3.38 0.79 0.00 0.00 0.00 0.00 23.12 20.73 2hdm s ALA 53 CO 0.48 -0.27 1.89 1.15 0.00 0.00 0.00 175.76 179.00 2hdm h THR 54 N 4.14 0.89 -0.00 0.00 2.02 -1.90 0.17 112.91 118.22 2hdm h THR 54 Ca -0.43 -0.25 -0.14 0.00 0.77 0.00 0.00 66.41 66.37 2hdm h THR 54 Cb 1.21 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 2hdm h THR 54 CO 0.76 0.13 -0.66 4.11 0.37 0.00 0.00 175.52 180.22 2hdm h TRP 55 N 0.72 0.01 -0.01 3.16 5.08 -1.93 -2.18 115.95 120.79 2hdm h TRP 55 Ca 0.41 -0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.36 2hdm h TRP 55 Cb 0.59 -0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.75 2hdm h TRP 55 CO -0.00 0.67 -0.06 0.28 -1.28 0.00 0.00 178.44 178.05 2hdm h VAL 56 N 0.00 1.55 -0.82 0.12 2.07 -1.36 -2.36 116.25 115.45 2hdm h VAL 56 Ca -0.01 -1.70 0.12 0.00 0.82 0.00 0.00 66.70 65.94 2hdm h VAL 56 Cb 1.17 2.67 -0.08 0.00 -1.52 0.00 0.00 31.29 33.53 2hdm h VAL 56 CO 0.09 0.45 0.44 0.03 0.02 0.00 0.00 177.57 178.60 2hdm h ARG 57 N -0.63 0.67 -0.35 1.57 3.08 -0.67 0.64 114.38 118.70 2hdm h ARG 57 Ca -0.01 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 2hdm h ARG 57 Cb 0.76 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 2hdm h ARG 57 CO 0.01 0.44 0.06 0.22 -1.07 0.00 0.00 179.97 179.64 2hdm h ASP 58 N 0.69 0.55 0.48 7.04 3.58 -1.42 -2.41 116.42 124.93 2hdm h ASP 58 Ca 0.42 -0.26 -0.30 0.00 0.42 0.00 0.00 57.03 57.32 2hdm h ASP 58 Cb 0.50 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.38 2hdm h ASP 58 CO -0.31 0.66 -1.60 0.00 -2.88 0.00 0.00 179.24 175.12 2hdm h VAL 60 N 0.04 0.73 0.00 0.00 3.04 0.18 -1.57 116.25 118.68 2hdm h VAL 60 Ca -0.26 -0.71 -0.23 0.00 -1.01 0.00 0.00 66.70 64.49 2hdm h VAL 60 Cb 1.99 1.44 -0.04 0.00 -2.01 0.00 0.00 31.29 32.67 2hdm h VAL 60 CO 0.12 0.17 -1.53 0.03 -1.01 0.00 0.00 177.57 175.35 2hdm h ARG 61 N 0.00 0.00 -0.15 4.17 2.47 -1.44 -2.95 114.38 116.48 2hdm h ARG 61 Ca -0.00 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.73 2hdm h ARG 61 Cb 0.42 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.73 2hdm h ARG 61 CO 0.02 0.42 0.06 1.03 0.56 0.00 0.00 179.97 182.06 2hdm h SER 62 N 0.00 0.08 0.60 7.04 0.87 -0.25 0.36 113.55 122.25 2hdm h SER 62 Ca -0.22 0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.22 2hdm h SER 62 Cb 1.81 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.74 2hdm h SER 62 CO 0.07 0.07 -0.64 0.24 -0.53 0.00 0.00 176.83 176.04 2hdm h MET 63 N 0.14 0.04 -0.37 2.24 2.86 -1.50 -2.88 114.93 115.45 2hdm h MET 63 Ca 0.06 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.59 2hdm h MET 63 Cb 0.02 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 2hdm h MET 63 CO -0.05 0.66 -0.11 0.22 1.06 0.00 0.00 176.91 178.69 2hdm h ASP 64 N 0.03 0.63 -0.00 1.22 3.58 -1.25 -1.40 116.42 119.23 2hdm h ASP 64 Ca -0.01 -0.17 -0.09 0.00 0.42 0.00 0.00 57.03 57.18 2hdm h ASP 64 Cb 1.13 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 42.00 2hdm h ASP 64 CO 0.09 0.77 -0.25 -0.09 -2.88 0.00 0.00 179.24 176.88 2hdm h ARG 65 N 0.59 0.41 0.00 0.28 9.65 -0.10 -2.17 114.38 123.04 2hdm h ARG 65 Ca 0.11 -0.15 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 2hdm h ARG 65 Cb 0.53 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 2hdm h ARG 65 CO 0.03 0.63 0.00 0.87 2.80 0.00 0.00 179.97 184.30 2hdm h LYS 66 N 0.36 0.00 -6.27 0.20 1.57 -1.23 -3.43 116.57 107.76 2hdm h LYS 66 Ca 0.05 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.29 2hdm h LYS 66 Cb 0.64 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.91 2hdm h LYS 66 CO 0.05 0.00 0.14 -1.12 -0.57 0.00 0.00 179.45 177.95 2hdm s SER 67 N -6.01 7.19 0.13 0.86 0.01 -0.58 -4.96 113.70 110.33 2hdm s SER 67 Ca 0.06 1.42 -0.09 0.00 1.31 0.00 0.00 55.95 58.65 2hdm s SER 67 Cb 0.06 -2.46 -0.09 0.00 0.21 0.00 0.00 66.02 63.75 2hdm s SER 67 CO 0.64 0.02 1.35 -1.13 0.41 0.00 0.00 173.24 174.53 2hdm h ASN 68 N 5.69 0.80 -3.45 2.44 -1.24 -1.84 -3.46 115.58 114.52 2hdm h ASN 68 Ca -0.44 -0.52 -0.45 0.00 0.71 0.00 0.00 56.30 55.60 2hdm h ASN 68 Cb 1.20 -0.24 -0.14 0.00 0.73 0.00 0.00 38.32 39.88 2hdm h ASN 68 CO 0.71 1.31 -0.62 0.28 -1.29 0.00 0.00 177.43 177.81 2hdm s THR 69 N -3.70 1.14 0.23 -3.57 -1.32 -1.26 -5.13 115.64 102.03 2hdm s THR 69 Ca -0.09 -2.02 -0.06 0.00 -1.21 0.00 0.00 61.69 58.32 2hdm s THR 69 Cb 0.09 -2.68 0.02 0.00 -1.51 0.00 0.00 72.50 68.43 2hdm s THR 69 CO 0.88 -0.08 0.40 -2.11 -2.21 0.00 0.00 174.62 171.51 2hdm n ARG 70 N -0.61 0.58 -1.92 7.08 1.85 -1.26 -5.07 116.66 117.30 2hdm n ARG 70 Ca -0.03 -1.51 -0.38 0.00 -1.00 0.00 0.00 57.85 54.93 2hdm n ARG 70 Cb 0.66 1.67 -0.03 0.00 -1.05 0.00 0.00 32.46 33.71 2hdm n ARG 70 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 2hdm s ASN 71 N -2.29 5.11 -0.34 2.89 2.47 -1.26 -4.92 114.94 116.61 2hdm s ASN 71 Ca 0.13 0.57 -0.18 0.00 0.42 0.00 0.00 52.86 53.81 2hdm s ASN 71 Cb -0.02 -2.52 -0.01 0.00 -1.45 0.00 0.00 41.25 37.25 2hdm s ASN 71 CO 0.10 -2.45 0.50 0.21 -3.72 0.00 0.00 177.10 171.73 2hdm s ASN 72 N 8.93 6.32 -0.83 -4.21 3.84 -1.26 -5.00 114.94 122.74 2hdm s ASN 72 Ca 0.75 0.04 -0.20 0.00 0.21 0.00 0.00 52.86 53.65 2hdm s ASN 72 Cb -0.14 -2.26 0.10 0.00 -0.55 0.00 0.00 41.25 38.40 2hdm s ASN 72 CO 0.23 -0.44 1.07 -0.32 -2.79 0.00 0.00 177.10 174.85 2hdm s MET 73 N 2.35 3.41 -0.32 0.43 -2.45 -1.26 -4.99 119.30 116.48 2hdm s MET 73 Ca 0.18 -1.39 -0.28 0.00 -1.25 0.00 0.00 55.69 52.96 2hdm s MET 73 Cb -0.16 -4.68 0.01 0.00 1.25 0.00 0.00 34.83 31.26 2hdm s MET 73 CO 0.13 -1.80 1.00 -1.50 1.05 0.00 0.00 175.02 173.90 2hdm s ILE 74 N 3.29 4.58 0.00 10.11 2.07 -1.26 -5.29 121.20 134.70 2hdm s ILE 74 Ca 0.29 1.60 0.00 0.00 -1.41 0.00 0.00 60.65 61.13 2hdm s ILE 74 Cb -0.09 -4.35 0.00 0.00 0.13 0.00 0.00 42.46 38.14 2hdm s ILE 74 CO -0.02 -0.43 0.14 0.00 -1.91 0.00 0.00 174.94 172.72