#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 -2.57 -0.56 1.61 7.64 -1.26 -4.96 113.62 113.52 2hdm n SER 3 Ca 0.00 1.00 0.07 0.00 1.01 0.00 0.00 58.87 60.96 2hdm n SER 3 Cb 0.00 -3.86 -0.02 0.00 -1.01 0.00 0.00 64.21 59.31 2hdm n SER 3 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2hdm n GLU 4 N 1.17 -1.17 -0.01 1.43 4.71 -1.26 -4.64 120.64 120.86 2hdm n GLU 4 Ca -0.21 0.82 -0.01 0.00 -0.01 0.00 0.00 57.16 57.75 2hdm n GLU 4 Cb 0.32 -1.42 -0.00 0.00 -1.01 0.00 0.00 31.44 29.33 2hdm n GLU 4 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2hdm n VAL 5 N -2.68 0.23 0.07 2.62 0.31 -1.26 -4.66 118.33 112.96 2hdm n VAL 5 Ca -0.00 0.45 -0.02 0.00 -0.01 0.00 0.00 64.34 64.75 2hdm n VAL 5 Cb 0.26 -1.64 -0.06 0.00 -0.91 0.00 0.00 33.84 31.48 2hdm n VAL 5 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2hdm h SER 6 N -0.16 0.00 -3.93 4.52 0.02 -2.00 -3.44 113.55 108.56 2hdm h SER 6 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2hdm h SER 6 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2hdm h SER 6 CO 0.00 0.73 -0.58 -0.67 -1.14 0.00 0.00 176.83 175.17 2hdm n ASP 7 N -3.16 -6.32 0.31 3.07 -0.08 -1.26 -4.96 116.55 104.15 2hdm n ASP 7 Ca -0.04 0.94 -0.13 0.00 -1.51 0.00 0.00 54.79 54.05 2hdm n ASP 7 Cb 0.86 -3.48 -0.06 0.00 2.34 0.00 0.00 41.12 40.78 2hdm n ASP 7 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2hdm h LYS 8 N 2.58 -0.81 0.00 -0.67 1.57 -1.96 -3.46 116.57 113.82 2hdm h LYS 8 Ca 0.00 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2hdm h LYS 8 Cb 0.00 0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2hdm h LYS 8 CO 0.00 -0.53 0.00 2.89 -0.57 0.00 0.00 179.45 181.24 2hdm n ARG 9 N -5.33 -1.29 0.00 3.15 1.85 -1.26 -4.99 116.66 108.79 2hdm n ARG 9 Ca -0.10 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.75 2hdm n ARG 9 Cb 0.33 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.74 2hdm n ARG 9 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 2hdm n THR 10 N -2.53 0.00 -3.71 8.89 5.66 -1.26 -5.11 114.28 116.22 2hdm n THR 10 Ca 0.00 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.86 2hdm n THR 10 Cb 0.00 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 68.69 2hdm n THR 10 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2hdm n VAL 12 N 2.18 0.00 -3.53 0.00 0.31 -1.26 -5.02 118.33 111.02 2hdm n VAL 12 Ca -0.16 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 2hdm n VAL 12 Cb 0.57 0.18 0.00 0.00 -0.91 0.00 0.00 33.84 33.68 2hdm n VAL 12 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2hdm n SER 13 N -2.00 1.40 -2.32 4.52 7.64 -1.26 -4.99 113.62 116.61 2hdm n SER 13 Ca -0.03 -0.83 -0.02 0.00 1.01 0.00 0.00 58.87 59.00 2hdm n SER 13 Cb 0.38 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.59 2hdm n SER 13 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2hdm n LEU 14 N 0.00 0.00 -4.16 -3.43 7.99 -1.26 -4.58 117.00 111.56 2hdm n LEU 14 Ca 0.00 -0.28 -0.10 0.00 -0.01 0.00 0.00 56.01 55.62 2hdm n LEU 14 Cb 0.00 -0.04 -0.10 0.00 -0.11 0.00 0.00 43.42 43.17 2hdm n LEU 14 CO 0.00 -0.48 -0.38 0.28 -1.51 0.00 0.00 177.39 175.30 2hdm s THR 15 N 0.43 0.63 -2.57 -5.08 -1.32 -0.46 -4.83 115.64 102.43 2hdm s THR 15 Ca 0.06 -1.91 0.21 0.00 -1.21 0.00 0.00 61.69 58.85 2hdm s THR 15 Cb -0.00 -1.65 0.21 0.00 -1.51 0.00 0.00 72.50 69.55 2hdm s THR 15 CO 0.04 -0.88 1.21 0.35 -2.21 0.00 0.00 174.62 173.12 2hdm n THR 16 N -0.00 0.11 -3.59 5.08 -2.24 -1.26 -4.47 114.28 107.90 2hdm n THR 16 Ca -0.13 -0.55 -0.37 0.00 -2.27 0.00 0.00 64.05 60.74 2hdm n THR 16 Cb 0.61 1.34 -0.06 0.00 -2.10 0.00 0.00 70.33 70.12 2hdm n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hdm s GLN 17 N -1.69 3.78 0.19 -0.78 -2.07 -1.26 -5.09 119.66 112.74 2hdm s GLN 17 Ca 0.27 0.23 0.05 0.00 -1.82 0.00 0.00 55.36 54.09 2hdm s GLN 17 Cb 0.18 -3.14 -0.04 0.00 -1.09 0.00 0.00 33.01 28.93 2hdm s GLN 17 CO 0.27 0.66 0.22 1.03 -1.32 0.00 0.00 175.29 176.15 2hdm s ARG 18 N -1.36 3.11 0.08 9.60 0.52 -1.26 -5.03 118.95 124.62 2hdm s ARG 18 Ca 0.25 -0.83 0.07 0.00 -0.52 0.00 0.00 55.73 54.70 2hdm s ARG 18 Cb -0.15 -2.74 -0.03 0.00 0.52 0.00 0.00 34.95 32.55 2hdm s ARG 18 CO 0.14 0.47 -0.18 -0.48 0.02 0.00 0.00 175.30 175.26 2hdm s LEU 19 N -3.42 2.28 0.26 2.53 2.34 -1.26 -5.11 118.68 116.29 2hdm s LEU 19 Ca 0.33 -0.64 -0.30 0.00 0.06 0.00 0.00 54.13 53.57 2hdm s LEU 19 Cb -0.10 -0.73 -0.14 0.00 -0.56 0.00 0.00 46.19 44.66 2hdm s LEU 19 CO 0.26 0.01 1.27 -2.65 -1.06 0.00 0.00 176.35 174.18 2hdm n PRO 20 N 1.24 1.79 0.27 1.48 -0.02 -1.26 -4.86 135.00 133.63 2hdm n PRO 20 Ca -0.20 0.63 0.15 0.00 -2.02 0.00 0.00 63.50 62.07 2hdm n PRO 20 Cb 0.54 -2.20 0.66 0.00 -0.02 0.00 0.00 33.50 32.48 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 0.45 0.00 0.02 -2.03 -2.89 113.55 109.10 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 0.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 2hdm h SER 22 CO 0.01 0.00 -0.26 0.54 -1.14 0.00 0.00 176.83 175.98 2hdm n ARG 23 N -2.50 0.42 -2.30 3.45 5.12 0.25 -4.79 116.66 116.31 2hdm n ARG 23 Ca 0.05 -0.20 -0.43 0.00 -1.93 0.00 0.00 57.85 55.35 2hdm n ARG 23 Cb 0.45 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 30.23 2hdm n ARG 23 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2hdm s ILE 24 N -2.72 4.01 -0.22 0.55 -1.09 -1.09 -0.95 121.20 119.68 2hdm s ILE 24 Ca 0.20 1.28 -0.15 0.00 -2.23 0.00 0.00 60.65 59.74 2hdm s ILE 24 Cb 0.19 -3.82 -0.18 0.00 -1.58 0.00 0.00 42.46 37.07 2hdm s ILE 24 CO 0.57 -0.07 0.03 1.17 -1.23 0.00 0.00 174.94 175.40 2hdm n LYS 25 N 6.26 0.61 -3.66 2.79 0.00 0.01 -4.85 118.16 119.31 2hdm n LYS 25 Ca 0.14 0.40 -0.06 0.00 0.00 0.00 0.00 58.31 58.79 2hdm n LYS 25 Cb 0.44 -1.65 -0.02 0.00 0.00 0.00 0.00 35.03 33.81 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 -2.45 0.00 0.19 3.15 -1.32 -1.16 -5.02 115.64 109.03 2hdm s THR 26 Ca -0.31 -0.45 0.06 0.00 -1.21 0.00 0.00 61.69 59.77 2hdm s THR 26 Cb 0.09 -1.62 -0.05 0.00 -1.51 0.00 0.00 72.50 69.41 2hdm s THR 26 CO 0.59 0.00 -0.11 -0.72 -2.21 0.00 0.00 174.62 172.17 2hdm s TYR 27 N -3.35 1.53 -0.08 9.09 -0.85 -1.26 -0.08 117.35 122.35 2hdm s TYR 27 Ca 0.09 -0.69 -0.03 0.00 -0.52 0.00 0.00 57.07 55.93 2hdm s TYR 27 Cb -0.02 -0.76 0.04 0.00 0.38 0.00 0.00 41.96 41.60 2hdm s TYR 27 CO -0.02 0.21 0.07 0.99 -1.52 0.00 0.00 175.55 175.28 2hdm s THR 28 N -3.16 -0.12 -0.18 -3.49 2.01 0.15 -4.94 115.64 105.91 2hdm s THR 28 Ca 0.21 0.27 -0.20 0.00 0.31 0.00 0.00 61.69 62.28 2hdm s THR 28 Cb 0.01 -0.27 -0.03 0.00 0.01 0.00 0.00 72.50 72.22 2hdm s THR 28 CO 0.05 0.06 0.58 -0.63 -0.69 0.00 0.00 174.62 173.99 2hdm s ILE 29 N 2.17 5.07 -0.22 1.82 1.01 -1.26 0.51 121.20 130.30 2hdm s ILE 29 Ca 0.04 1.11 -0.06 0.00 0.00 0.00 0.00 60.65 61.74 2hdm s ILE 29 Cb -0.13 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 2hdm s ILE 29 CO -0.05 0.16 0.04 0.42 0.00 0.00 0.00 174.94 175.52 2hdm s THR 30 N 1.60 4.27 -0.09 2.92 -4.23 0.95 -4.96 115.64 116.11 2hdm s THR 30 Ca 0.28 -0.20 0.03 0.00 -1.18 0.00 0.00 61.69 60.62 2hdm s THR 30 Cb -0.16 -2.96 -0.01 0.00 1.34 0.00 0.00 72.50 70.71 2hdm s THR 30 CO 0.11 0.39 -0.20 -1.61 -0.54 0.00 0.00 174.62 172.77 2hdm s GLU 31 N 1.16 2.93 0.00 3.99 2.02 -1.26 -1.43 118.70 126.10 2hdm s GLU 31 Ca 0.04 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.22 2hdm s GLU 31 Cb -0.14 -2.37 0.00 0.00 0.10 0.00 0.00 34.13 31.72 2hdm s GLU 31 CO 0.03 0.31 0.00 0.41 0.02 0.00 0.00 175.26 176.03 2hdm n GLY 32 N 3.19 -0.86 0.11 -1.39 0.00 -1.26 -4.94 105.19 100.05 2hdm n GLY 32 Ca -0.18 0.65 0.03 0.00 0.00 0.00 0.00 46.02 46.52 2hdm n GLY 32 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2hdm h SER 33 N 0.00 0.00 -3.72 1.61 0.02 -2.02 -3.45 113.55 105.99 2hdm h SER 33 Ca 0.00 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.78 2hdm h SER 33 Cb 0.00 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 62.28 2hdm h SER 33 CO 0.00 0.45 -0.44 -0.22 -1.14 0.00 0.00 176.83 175.48 2hdm s LEU 34 N -5.92 0.91 -0.44 5.07 2.96 -1.26 -5.11 118.68 114.88 2hdm s LEU 34 Ca -0.00 0.51 -0.21 0.00 -0.22 0.00 0.00 54.13 54.21 2hdm s LEU 34 Cb 0.08 0.83 0.03 0.00 0.50 0.00 0.00 46.19 47.63 2hdm s LEU 34 CO 0.79 -0.10 0.65 -0.13 -1.32 0.00 0.00 176.35 176.23 2hdm s ARG 35 N 0.37 3.27 -0.09 1.98 0.52 -1.25 -4.36 118.95 119.40 2hdm s ARG 35 Ca -0.02 -0.39 0.04 0.00 -0.52 0.00 0.00 55.73 54.84 2hdm s ARG 35 Cb -0.04 -3.96 -0.01 0.00 0.52 0.00 0.00 34.95 31.47 2hdm s ARG 35 CO -0.02 -1.03 -0.22 0.00 0.02 0.00 0.00 175.30 174.05 2hdm s ALA 36 N 2.84 2.25 -0.34 2.13 0.00 -0.52 -4.48 121.76 123.64 2hdm s ALA 36 Ca 0.22 -0.98 -0.16 0.00 0.00 0.00 0.00 51.96 51.04 2hdm s ALA 36 Cb -0.14 -0.83 -0.01 0.00 0.00 0.00 0.00 23.12 22.14 2hdm s ALA 36 CO 0.19 0.33 0.39 0.54 0.00 0.00 0.00 175.76 177.21 2hdm s VAL 37 N 0.15 5.14 -0.38 0.00 0.11 -0.69 -0.03 120.40 124.70 2hdm s VAL 37 Ca -0.12 0.13 -0.18 0.00 -2.93 0.00 0.00 61.98 58.88 2hdm s VAL 37 Cb -0.16 -3.84 0.01 0.00 -1.53 0.00 0.00 36.38 30.86 2hdm s VAL 37 CO 0.07 -0.10 0.51 -0.63 -3.33 0.00 0.00 175.10 171.61 2hdm s ILE 38 N 2.09 5.01 -0.13 7.04 1.01 0.18 -0.37 121.20 136.03 2hdm s ILE 38 Ca 0.13 0.14 -0.16 0.00 0.00 0.00 0.00 60.65 60.76 2hdm s ILE 38 Cb -0.16 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 2hdm s ILE 38 CO 0.12 -0.31 0.40 -0.36 0.00 0.00 0.00 174.94 174.79 2hdm s PHE 39 N 2.38 3.50 -0.25 3.97 0.08 0.74 0.29 117.98 128.69 2hdm s PHE 39 Ca 0.17 0.77 -0.14 0.00 0.12 0.00 0.00 56.93 57.86 2hdm s PHE 39 Cb -0.16 -2.46 -0.04 0.00 -0.57 0.00 0.00 43.02 39.80 2hdm s PHE 39 CO 0.14 0.21 0.31 0.42 -0.10 0.00 0.00 175.22 176.21 2hdm s ILE 40 N 0.50 5.24 0.72 0.64 -1.09 0.88 0.08 121.20 128.16 2hdm s ILE 40 Ca 0.22 0.48 -0.11 0.00 -2.23 0.00 0.00 60.65 59.00 2hdm s ILE 40 Cb -0.14 -3.64 0.02 0.00 -1.58 0.00 0.00 42.46 37.12 2hdm s ILE 40 CO 0.08 0.23 1.10 0.28 -1.23 0.00 0.00 174.94 175.40 2hdm s THR 41 N 1.62 3.38 -1.08 2.92 -1.32 -0.27 -0.81 115.64 120.08 2hdm s THR 41 Ca 0.14 0.45 0.05 0.00 -1.21 0.00 0.00 61.69 61.12 2hdm s THR 41 Cb -0.15 -3.41 0.05 0.00 -1.51 0.00 0.00 72.50 67.48 2hdm s THR 41 CO 0.08 -0.59 1.14 1.17 -2.21 0.00 0.00 174.62 174.21 2hdm n LYS 42 N -3.08 0.02 0.06 7.08 4.81 -0.13 -0.21 118.16 126.71 2hdm n LYS 42 Ca 0.07 0.38 0.13 0.00 -0.87 0.00 0.00 58.31 58.02 2hdm n LYS 42 Cb 0.57 -1.50 0.41 0.00 0.02 0.00 0.00 35.03 34.53 2hdm n LYS 42 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 2hdm n ARG 43 N -1.46 0.17 -0.40 1.64 3.00 -1.26 -4.92 116.66 113.43 2hdm n ARG 43 Ca 0.02 0.12 0.00 0.00 -0.00 0.00 0.00 57.85 57.98 2hdm n ARG 43 Cb 0.06 -1.67 0.00 0.00 0.00 0.00 0.00 32.46 30.84 2hdm n ARG 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2hdm n GLY 44 N 1.38 0.76 3.94 5.14 0.00 0.70 -5.05 105.19 112.07 2hdm n GLY 44 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 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 4.30 -0.09 0.99 1.43 -1.25 -4.89 118.68 119.17 2hdm s LEU 45 Ca 0.00 0.22 -0.17 0.00 -1.03 0.00 0.00 54.13 53.16 2hdm s LEU 45 Cb 0.00 -2.98 -0.05 0.00 0.03 0.00 0.00 46.19 43.19 2hdm s LEU 45 CO 0.00 0.01 0.43 -0.54 0.23 0.00 0.00 176.35 176.48 2hdm s LYS 46 N -3.36 4.23 0.11 1.70 1.02 -1.26 -1.11 119.74 121.06 2hdm s LYS 46 Ca 0.36 0.38 0.10 0.00 0.02 0.00 0.00 55.97 56.82 2hdm s LYS 46 Cb -0.11 -3.38 -0.04 0.00 -0.52 0.00 0.00 37.83 33.79 2hdm s LYS 46 CO 0.29 0.31 -0.25 0.08 -0.92 0.00 0.00 175.35 174.85 2hdm s VAL 47 N 0.17 2.07 -0.12 3.17 1.01 0.11 -4.95 120.40 121.86 2hdm s VAL 47 Ca 0.24 -1.62 0.03 0.00 0.00 0.00 0.00 61.98 60.63 2hdm s VAL 47 Cb -0.15 -1.83 0.01 0.00 0.00 0.00 0.00 36.38 34.41 2hdm s VAL 47 CO 0.10 0.10 -0.22 0.00 0.00 0.00 0.00 175.10 175.08 2hdm s ALA 49 N 0.70 0.91 0.02 0.00 0.00 0.50 -1.36 121.76 122.54 2hdm s ALA 49 Ca -0.10 -1.02 -0.30 0.00 0.00 0.00 0.00 51.96 50.53 2hdm s ALA 49 Cb -0.16 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 2hdm s ALA 49 CO 0.01 -0.02 1.11 0.34 0.00 0.00 0.00 175.76 177.20 2hdm s ASP 50 N -2.08 7.19 0.44 0.00 2.15 -1.26 -1.70 116.67 121.42 2hdm s ASP 50 Ca -0.01 1.84 0.31 0.00 0.43 0.00 0.00 52.55 55.12 2hdm s ASP 50 Cb -0.06 -2.57 1.50 0.00 -0.30 0.00 0.00 42.92 41.49 2hdm s ASP 50 CO 0.00 -0.40 1.92 1.55 -0.17 0.00 0.00 175.17 178.08 2hdm h PRO 51 N 6.87 0.00 -0.33 4.34 0.13 -1.91 -2.15 132.00 138.96 2hdm h PRO 51 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2hdm h PRO 51 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2hdm h PRO 51 CO 0.80 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.57 2hdm n GLN 52 N -2.63 2.26 -2.17 0.86 10.64 -1.26 -4.47 117.38 120.62 2hdm n GLN 52 Ca -0.01 -2.08 -0.42 0.00 -1.83 0.00 0.00 57.00 52.67 2hdm n GLN 52 Cb 0.14 -1.42 -0.03 0.00 -0.86 0.00 0.00 30.24 28.07 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 -1.30 3.58 0.39 2.61 0.00 -0.81 -4.86 121.76 121.37 2hdm s ALA 53 Ca 0.32 1.13 0.10 0.00 0.00 0.00 0.00 51.96 53.51 2hdm s ALA 53 Cb 0.19 -3.53 0.87 0.00 0.00 0.00 0.00 23.12 20.65 2hdm s ALA 53 CO 0.26 -0.61 1.95 1.15 0.00 0.00 0.00 175.76 178.51 2hdm h THR 54 N 4.10 0.94 -0.03 0.00 2.02 -1.91 0.34 112.91 118.37 2hdm h THR 54 Ca -0.43 -0.21 -0.13 0.00 0.77 0.00 0.00 66.41 66.41 2hdm h THR 54 Cb 1.21 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 2hdm h THR 54 CO 0.84 0.11 -0.58 4.11 0.37 0.00 0.00 175.52 180.37 2hdm h TRP 55 N 0.61 0.11 -0.00 3.16 5.08 -1.95 -2.04 115.95 120.92 2hdm h TRP 55 Ca 0.33 -0.04 -0.00 0.00 1.08 0.00 0.00 58.89 60.25 2hdm h TRP 55 Cb 0.46 -0.02 0.00 0.00 -3.00 0.00 0.00 29.16 26.60 2hdm h TRP 55 CO -0.00 0.65 -0.02 0.28 -1.28 0.00 0.00 178.44 178.07 2hdm h VAL 56 N 0.07 1.54 -0.30 0.12 2.07 -1.31 -2.60 116.25 115.83 2hdm h VAL 56 Ca -0.00 -1.60 0.06 0.00 0.82 0.00 0.00 66.70 65.97 2hdm h VAL 56 Cb 1.05 2.61 -0.01 0.00 -1.52 0.00 0.00 31.29 33.41 2hdm h VAL 56 CO 0.08 0.42 0.20 0.03 0.02 0.00 0.00 177.57 178.32 2hdm h ARG 57 N -0.65 0.14 -0.08 1.57 3.08 -0.32 0.59 114.38 118.71 2hdm h ARG 57 Ca -0.00 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 2hdm h ARG 57 Cb 0.69 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.71 2hdm h ARG 57 CO 0.00 0.09 -0.22 0.22 -1.07 0.00 0.00 179.97 179.00 2hdm h ASP 58 N 0.15 0.33 0.25 7.04 3.58 -1.38 -3.24 116.42 123.14 2hdm h ASP 58 Ca 0.13 -0.60 -0.34 0.00 0.42 0.00 0.00 57.03 56.64 2hdm h ASP 58 Cb 0.35 -0.09 0.03 0.00 1.72 0.00 0.00 39.33 41.33 2hdm h ASP 58 CO -0.02 0.87 -1.56 0.00 -2.88 0.00 0.00 179.24 175.65 2hdm h VAL 60 N 0.14 0.74 0.00 0.00 3.04 -0.07 -1.21 116.25 118.88 2hdm h VAL 60 Ca -0.28 -0.34 -0.28 0.00 -1.01 0.00 0.00 66.70 64.79 2hdm h VAL 60 Cb 2.16 1.20 -0.05 0.00 -2.01 0.00 0.00 31.29 32.59 2hdm h VAL 60 CO 0.25 0.09 -1.82 0.54 -1.01 0.00 0.00 177.57 175.62 2hdm n ARG 61 N -3.96 0.64 -0.27 4.17 5.12 -1.21 -3.24 116.66 117.91 2hdm n ARG 61 Ca -0.02 0.20 -0.06 0.00 -1.93 0.00 0.00 57.85 56.03 2hdm n ARG 61 Cb 0.18 -1.73 0.05 0.00 -1.16 0.00 0.00 32.46 29.81 2hdm n ARG 61 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 2hdm h SER 62 N 0.00 1.03 0.49 0.55 0.02 -0.21 0.23 113.55 115.66 2hdm h SER 62 Ca -0.32 -0.18 -0.12 0.00 -0.84 0.00 0.00 61.79 60.34 2hdm h SER 62 Cb 1.96 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 64.22 2hdm h SER 62 CO 0.06 0.93 -0.54 0.24 -1.14 0.00 0.00 176.83 176.37 2hdm h MET 63 N 1.07 0.06 -0.32 3.45 2.86 -1.40 -1.85 114.93 118.81 2hdm h MET 63 Ca 0.25 -0.04 -0.11 0.00 -2.06 0.00 0.00 59.70 57.74 2hdm h MET 63 Cb 0.22 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 2hdm h MET 63 CO -0.02 0.59 -0.22 0.22 1.06 0.00 0.00 176.91 178.55 2hdm h ASP 64 N 0.05 0.74 -0.42 1.22 3.58 -1.39 -2.88 116.42 117.31 2hdm h ASP 64 Ca -0.00 -0.44 0.03 0.00 0.42 0.00 0.00 57.03 57.04 2hdm h ASP 64 Cb 0.98 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.79 2hdm h ASP 64 CO 0.07 1.02 0.23 0.03 -2.88 0.00 0.00 179.24 177.71 2hdm h ARG 65 N 0.47 0.45 0.00 0.28 2.47 -0.33 -2.02 114.38 115.70 2hdm h ARG 65 Ca 0.06 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 2hdm h ARG 65 Cb 0.77 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.99 2hdm h ARG 65 CO 0.06 0.30 0.00 0.36 0.56 0.00 0.00 179.97 181.25 2hdm n LYS 66 N -4.89 0.02 -0.19 0.04 -0.00 -0.71 -1.33 118.16 111.10 2hdm n LYS 66 Ca 0.02 0.28 0.06 0.00 -0.00 0.00 0.00 58.31 58.67 2hdm n LYS 66 Cb 0.09 -1.54 0.16 0.00 -0.00 0.00 0.00 35.03 33.74 2hdm n LYS 66 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2hdm n SER 67 N -1.58 2.98 -0.85 -5.58 2.88 -0.81 -4.99 113.62 105.68 2hdm n SER 67 Ca 0.03 -2.02 0.00 0.00 -1.33 0.00 0.00 58.87 55.55 2hdm n SER 67 Cb 0.17 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 2hdm n SER 67 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2hdm n ASN 68 N 0.53 0.47 -4.75 -3.46 2.85 -0.44 -5.05 115.26 105.40 2hdm n ASN 68 Ca 0.12 -0.69 -0.41 0.00 -0.11 0.00 0.00 54.58 53.49 2hdm n ASN 68 Cb 0.44 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.44 2hdm n ASN 68 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2hdm s THR 69 N -1.38 2.33 -0.27 -0.44 -1.32 -1.26 -4.92 115.64 108.38 2hdm s THR 69 Ca 0.00 0.29 0.11 0.00 -1.21 0.00 0.00 61.69 60.88 2hdm s THR 69 Cb 0.00 -3.18 0.54 0.00 -1.51 0.00 0.00 72.50 68.35 2hdm s THR 69 CO 0.00 0.05 1.51 -2.11 -2.21 0.00 0.00 174.62 171.86 2hdm n ARG 70 N 1.92 2.36 0.01 7.08 1.85 -1.26 -4.58 116.66 124.03 2hdm n ARG 70 Ca 0.06 -3.04 -0.12 0.00 -1.00 0.00 0.00 57.85 53.75 2hdm n ARG 70 Cb 0.39 -1.88 -0.06 0.00 -1.05 0.00 0.00 32.46 29.86 2hdm n ARG 70 CO 0.00 0.00 0.00 -0.97 -0.01 0.00 0.00 177.63 176.65 2hdm h ASN 71 N 1.37 0.07 -3.34 2.89 -0.73 -1.97 -3.36 115.58 110.51 2hdm h ASN 71 Ca 0.18 -0.06 -0.60 0.00 1.87 0.00 0.00 56.30 57.69 2hdm h ASN 71 Cb 1.72 -0.02 -0.40 0.00 0.27 0.00 0.00 38.32 39.90 2hdm h ASN 71 CO 0.41 0.11 -0.75 0.20 -0.37 0.00 0.00 177.43 177.03 2hdm s ASN 72 N -5.31 3.78 -0.06 1.15 -0.87 -1.26 -4.90 114.94 107.47 2hdm s ASN 72 Ca -0.13 -2.26 0.20 0.00 -1.57 0.00 0.00 52.86 49.10 2hdm s ASN 72 Cb 0.06 -0.96 -0.30 0.00 -0.02 0.00 0.00 41.25 40.03 2hdm s ASN 72 CO 0.67 -0.32 0.38 0.80 -2.57 0.00 0.00 177.10 176.06 2hdm n MET 73 N 4.03 0.67 -1.87 -0.60 1.56 -1.26 -5.06 117.12 114.60 2hdm n MET 73 Ca 0.05 -0.15 -0.00 0.00 -0.27 0.00 0.00 57.70 57.33 2hdm n MET 73 Cb 0.37 -1.49 -0.00 0.00 2.15 0.00 0.00 33.22 34.26 2hdm n MET 73 CO 0.00 0.00 0.00 -0.89 -0.73 0.00 0.00 175.97 174.35 2hdm n ILE 74 N -2.30 -5.25 -0.95 1.12 5.41 -1.26 -5.12 119.36 111.02 2hdm n ILE 74 Ca -0.09 0.61 0.00 0.00 1.00 0.00 0.00 62.75 64.27 2hdm n ILE 74 Cb 0.64 -4.87 0.00 0.00 -0.71 0.00 0.00 39.64 34.71 2hdm n ILE 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55