#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 -4.91 -4.28 1.61 2.88 -1.26 -4.93 113.62 102.73 2hdm n SER 3 Ca 0.00 0.37 -0.43 0.00 -1.33 0.00 0.00 58.87 57.48 2hdm n SER 3 Cb 0.00 -3.71 -0.02 0.00 -0.75 0.00 0.00 64.21 59.73 2hdm n SER 3 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2hdm s GLU 4 N -3.23 3.92 -0.43 -1.46 -1.05 -1.26 -4.89 118.70 110.31 2hdm s GLU 4 Ca 0.00 -3.17 0.02 0.00 -0.15 0.00 0.00 54.97 51.67 2hdm s GLU 4 Cb 0.00 -4.40 0.14 0.00 -0.44 0.00 0.00 34.13 29.43 2hdm s GLU 4 CO 0.00 -1.25 0.25 0.14 0.95 0.00 0.00 175.26 175.35 2hdm s VAL 5 N -1.16 1.09 -0.26 1.83 -7.23 -1.26 -5.06 120.40 108.33 2hdm s VAL 5 Ca 0.29 -2.41 -0.01 0.00 -1.81 0.00 0.00 61.98 58.03 2hdm s VAL 5 Cb -0.10 -1.76 0.15 0.00 0.56 0.00 0.00 36.38 35.23 2hdm s VAL 5 CO -0.09 -0.94 0.44 -0.55 -0.31 0.00 0.00 175.10 173.65 2hdm s SER 6 N 0.45 -0.16 0.30 4.85 0.15 -1.26 -5.11 113.70 112.92 2hdm s SER 6 Ca 0.19 0.29 -0.09 0.00 0.70 0.00 0.00 55.95 57.05 2hdm s SER 6 Cb -0.22 1.38 0.00 0.00 -1.71 0.00 0.00 66.02 65.47 2hdm s SER 6 CO -0.01 -0.30 0.49 -0.62 1.20 0.00 0.00 173.24 174.00 2hdm s ASP 7 N 2.62 0.32 0.00 5.45 2.15 -1.26 -5.12 116.67 120.83 2hdm s ASP 7 Ca 0.14 -1.19 0.00 0.00 0.43 0.00 0.00 52.55 51.93 2hdm s ASP 7 Cb -0.15 0.63 0.00 0.00 -0.30 0.00 0.00 42.92 43.10 2hdm s ASP 7 CO -0.19 -1.24 0.16 0.29 -0.17 0.00 0.00 175.17 174.02 2hdm n LYS 8 N -0.46 0.00 -2.66 4.34 4.01 -1.26 -4.41 118.16 117.72 2hdm n LYS 8 Ca -0.01 0.23 -0.42 0.00 -0.51 0.00 0.00 58.31 57.60 2hdm n LYS 8 Cb 0.62 -0.84 -0.02 0.00 -0.51 0.00 0.00 35.03 34.28 2hdm n LYS 8 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2hdm s ARG 9 N -0.78 3.79 0.00 1.97 0.52 -1.26 -4.40 118.95 118.79 2hdm s ARG 9 Ca 0.00 -1.69 0.01 0.00 -0.52 0.00 0.00 55.73 53.53 2hdm s ARG 9 Cb 0.00 -5.33 0.00 0.00 0.52 0.00 0.00 34.95 30.14 2hdm s ARG 9 CO 0.00 -2.12 0.33 -2.37 0.02 0.00 0.00 175.30 171.16 2hdm n THR 10 N 6.26 0.00 -3.71 0.02 5.66 -1.26 -5.04 114.28 116.22 2hdm n THR 10 Ca 0.38 -0.49 -0.14 0.00 -3.05 0.00 0.00 64.05 60.74 2hdm n THR 10 Cb 0.48 1.01 -0.09 0.00 -1.55 0.00 0.00 70.33 70.18 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 1.72 0.09 -2.23 0.00 0.31 -1.26 -4.99 118.33 111.97 2hdm n VAL 12 Ca -0.18 -0.10 -0.26 0.00 -0.01 0.00 0.00 64.34 63.79 2hdm n VAL 12 Cb 0.56 -0.17 0.09 0.00 -0.91 0.00 0.00 33.84 33.41 2hdm n VAL 12 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2hdm s SER 13 N -2.82 4.49 0.00 4.52 0.01 -1.26 -5.01 113.70 113.64 2hdm s SER 13 Ca -0.01 0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.54 2hdm s SER 13 Cb 0.02 -0.82 0.00 0.00 0.21 0.00 0.00 66.02 65.43 2hdm s SER 13 CO 0.13 -1.80 0.00 0.18 0.41 0.00 0.00 173.24 172.16 2hdm n LEU 14 N -3.03 0.00 -4.31 2.44 4.77 -1.26 -4.53 117.00 111.09 2hdm n LEU 14 Ca 0.10 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.88 2hdm n LEU 14 Cb 0.60 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.61 2hdm n LEU 14 CO 0.50 0.00 -0.11 0.28 -1.33 0.00 0.00 177.39 176.72 2hdm s THR 15 N -0.84 0.05 0.00 -5.08 -1.32 -1.12 -4.80 115.64 102.52 2hdm s THR 15 Ca 0.00 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.48 2hdm s THR 15 Cb 0.00 -2.48 0.00 0.00 -1.51 0.00 0.00 72.50 68.51 2hdm s THR 15 CO 0.00 0.00 0.04 0.41 -2.21 0.00 0.00 174.62 172.86 2hdm n THR 16 N -0.66 0.00 -3.27 5.08 -1.04 -1.26 -4.73 114.28 108.40 2hdm n THR 16 Ca 0.06 -0.15 -0.39 0.00 -2.04 0.00 0.00 64.05 61.53 2hdm n THR 16 Cb 0.62 1.19 -0.07 0.00 -1.82 0.00 0.00 70.33 70.26 2hdm n THR 16 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2hdm s GLN 17 N -0.23 4.21 -0.01 -2.82 -1.52 -1.26 -5.03 119.66 113.00 2hdm s GLN 17 Ca 0.00 0.40 -0.23 0.00 -1.95 0.00 0.00 55.36 53.59 2hdm s GLN 17 Cb 0.00 -3.54 -0.05 0.00 -0.22 0.00 0.00 33.01 29.20 2hdm s GLN 17 CO 0.00 -0.09 0.67 1.03 -0.25 0.00 0.00 175.29 176.65 2hdm s ARG 18 N 1.45 4.41 -0.06 2.91 0.52 -1.26 -5.05 118.95 121.87 2hdm s ARG 18 Ca 0.24 0.87 -0.03 0.00 -0.52 0.00 0.00 55.73 56.29 2hdm s ARG 18 Cb -0.15 -3.38 -0.04 0.00 0.52 0.00 0.00 34.95 31.90 2hdm s ARG 18 CO 0.10 0.25 0.10 -0.51 0.02 0.00 0.00 175.30 175.26 2hdm s LEU 19 N 0.16 4.09 0.31 2.53 1.02 -1.26 -5.06 118.68 120.46 2hdm s LEU 19 Ca 0.35 0.29 -0.30 0.00 0.02 0.00 0.00 54.13 54.50 2hdm s LEU 19 Cb -0.19 -2.17 -0.12 0.00 0.02 0.00 0.00 46.19 43.73 2hdm s LEU 19 CO 0.19 0.34 1.50 -0.81 0.02 0.00 0.00 176.35 177.59 2hdm n PRO 20 N 1.61 2.52 0.06 1.29 -0.04 -1.26 -4.85 135.00 134.33 2hdm n PRO 20 Ca -0.16 0.89 0.09 0.00 -0.04 0.00 0.00 63.50 64.27 2hdm n PRO 20 Cb 0.54 -2.62 0.37 0.00 -0.04 0.00 0.00 33.50 31.75 2hdm n PRO 20 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hdm h SER 22 N 0.00 0.00 0.19 0.00 0.02 -2.05 -2.90 113.55 108.82 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 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 2hdm h SER 22 CO 0.00 0.00 -0.42 0.54 -1.14 0.00 0.00 176.83 175.81 2hdm n ARG 23 N -2.70 0.72 -2.35 3.45 1.74 0.01 -4.89 116.66 112.64 2hdm n ARG 23 Ca 0.03 -0.50 -0.42 0.00 -0.77 0.00 0.00 57.85 56.19 2hdm n ARG 23 Cb 0.35 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.28 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 -2.62 3.95 -0.12 0.55 -1.09 -1.10 -1.82 121.20 118.97 2hdm s ILE 24 Ca 0.19 1.34 -0.02 0.00 -2.23 0.00 0.00 60.65 59.94 2hdm s ILE 24 Cb 0.18 -3.86 -0.07 0.00 -1.58 0.00 0.00 42.46 37.13 2hdm s ILE 24 CO 0.59 0.03 -0.12 1.17 -1.23 0.00 0.00 174.94 175.39 2hdm n LYS 25 N 4.83 0.27 -3.63 2.79 0.00 -0.59 -4.79 118.16 117.05 2hdm n LYS 25 Ca 0.11 0.08 -0.08 0.00 0.00 0.00 0.00 58.31 58.42 2hdm n LYS 25 Cb 0.45 -1.12 -0.02 0.00 0.00 0.00 0.00 35.03 34.35 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 -2.22 0.00 0.06 3.15 -1.32 -1.07 -5.00 115.64 109.25 2hdm s THR 26 Ca -0.16 -0.42 -0.00 0.00 -1.21 0.00 0.00 61.69 59.90 2hdm s THR 26 Cb 0.05 -1.49 -0.04 0.00 -1.51 0.00 0.00 72.50 69.50 2hdm s THR 26 CO 0.24 0.00 -0.04 -0.72 -2.21 0.00 0.00 174.62 171.89 2hdm s TYR 27 N -3.55 0.61 -0.06 9.09 -0.85 -1.26 -1.01 117.35 120.32 2hdm s TYR 27 Ca 0.07 -1.01 -0.02 0.00 -0.52 0.00 0.00 57.07 55.58 2hdm s TYR 27 Cb -0.02 -0.42 0.04 0.00 0.38 0.00 0.00 41.96 41.93 2hdm s TYR 27 CO -0.03 -0.31 0.06 0.99 -1.52 0.00 0.00 175.55 174.74 2hdm s THR 28 N -3.76 -0.09 -0.18 -3.49 2.01 0.73 -4.95 115.64 105.91 2hdm s THR 28 Ca 0.08 0.32 -0.20 0.00 0.31 0.00 0.00 61.69 62.20 2hdm s THR 28 Cb 0.07 -0.23 -0.03 0.00 0.01 0.00 0.00 72.50 72.31 2hdm s THR 28 CO -0.08 0.10 0.57 -0.63 -0.69 0.00 0.00 174.62 173.89 2hdm s ILE 29 N 2.16 5.08 0.10 1.82 1.01 -1.26 0.06 121.20 130.16 2hdm s ILE 29 Ca 0.04 1.08 0.08 0.00 0.00 0.00 0.00 60.65 61.85 2hdm s ILE 29 Cb -0.13 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 2hdm s ILE 29 CO -0.04 0.18 -0.20 0.42 0.00 0.00 0.00 174.94 175.29 2hdm s THR 30 N 1.55 1.66 -0.06 2.92 -4.23 0.32 -4.96 115.64 112.84 2hdm s THR 30 Ca 0.27 -1.50 0.04 0.00 -1.18 0.00 0.00 61.69 59.32 2hdm s THR 30 Cb -0.16 -1.51 -0.00 0.00 1.34 0.00 0.00 72.50 72.17 2hdm s THR 30 CO 0.11 -0.06 -0.20 -1.83 -0.54 0.00 0.00 174.62 172.10 2hdm s GLU 31 N -1.85 2.21 -0.45 3.99 -1.05 -1.26 -0.82 118.70 119.47 2hdm s GLU 31 Ca 0.06 -0.71 0.04 0.00 -0.15 0.00 0.00 54.97 54.21 2hdm s GLU 31 Cb -0.10 -1.83 0.26 0.00 -0.44 0.00 0.00 34.13 32.03 2hdm s GLU 31 CO 0.04 0.24 1.02 0.41 0.95 0.00 0.00 175.26 177.92 2hdm n GLY 32 N 3.26 -0.30 2.53 -3.83 0.00 -1.26 -4.89 105.19 100.70 2hdm n GLY 32 Ca -0.19 0.33 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 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 1.35 -4.96 0.00 1.61 7.64 -1.26 -4.86 113.62 113.14 2hdm n SER 33 Ca 0.06 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.22 2hdm n SER 33 Cb 0.66 -3.46 0.00 0.00 -1.01 0.00 0.00 64.21 60.40 2hdm n SER 33 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2hdm n LEU 34 N -1.29 0.00 -4.57 -3.43 7.94 -1.26 -5.14 117.00 109.24 2hdm n LEU 34 Ca -0.11 0.00 -0.36 0.00 -1.11 0.00 0.00 56.01 54.42 2hdm n LEU 34 Cb 0.47 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.31 2hdm n LEU 34 CO 0.17 0.00 -0.22 0.00 -1.11 0.00 0.00 177.39 176.23 2hdm s ARG 35 N -0.16 3.90 -0.03 1.96 1.70 -1.25 -4.20 118.95 120.86 2hdm s ARG 35 Ca 0.00 -0.36 0.06 0.00 -0.47 0.00 0.00 55.73 54.96 2hdm s ARG 35 Cb 0.00 -3.44 -0.01 0.00 -0.57 0.00 0.00 34.95 30.93 2hdm s ARG 35 CO 0.00 -0.03 -0.21 0.00 -1.08 0.00 0.00 175.30 173.97 2hdm s ALA 36 N 1.27 1.83 -0.34 7.88 0.00 -0.00 -4.56 121.76 127.83 2hdm s ALA 36 Ca 0.06 -0.91 -0.15 0.00 0.00 0.00 0.00 51.96 50.97 2hdm s ALA 36 Cb -0.14 -0.52 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 2hdm s ALA 36 CO 0.05 0.40 0.33 0.54 0.00 0.00 0.00 175.76 177.08 2hdm s VAL 37 N -0.30 5.20 -0.31 0.00 0.11 -0.87 -0.53 120.40 123.70 2hdm s VAL 37 Ca 0.03 -0.03 -0.15 0.00 -2.93 0.00 0.00 61.98 58.89 2hdm s VAL 37 Cb -0.10 -3.80 -0.02 0.00 -1.53 0.00 0.00 36.38 30.92 2hdm s VAL 37 CO 0.01 -0.08 0.38 -0.63 -3.33 0.00 0.00 175.10 171.45 2hdm s ILE 38 N 1.94 5.16 -0.12 7.04 1.01 0.11 -0.60 121.20 135.74 2hdm s ILE 38 Ca 0.10 0.33 -0.06 0.00 0.00 0.00 0.00 60.65 61.02 2hdm s ILE 38 Cb -0.17 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 2hdm s ILE 38 CO 0.11 0.02 0.11 -0.36 0.00 0.00 0.00 174.94 174.82 2hdm s PHE 39 N 2.08 3.50 -0.11 3.97 0.08 0.71 -0.19 117.98 128.02 2hdm s PHE 39 Ca 0.14 0.45 -0.00 0.00 0.12 0.00 0.00 56.93 57.64 2hdm s PHE 39 Cb -0.16 -1.92 -0.02 0.00 -0.57 0.00 0.00 43.02 40.35 2hdm s PHE 39 CO 0.11 0.66 -0.10 0.42 -0.10 0.00 0.00 175.22 176.21 2hdm s ILE 40 N -0.92 3.34 0.67 0.64 -1.09 -0.18 0.34 121.20 124.00 2hdm s ILE 40 Ca 0.14 -0.58 -0.04 0.00 -2.23 0.00 0.00 60.65 57.94 2hdm s ILE 40 Cb -0.12 -2.40 0.06 0.00 -1.58 0.00 0.00 42.46 38.43 2hdm s ILE 40 CO 0.03 0.54 0.95 0.42 -1.23 0.00 0.00 174.94 175.66 2hdm s THR 41 N -0.00 2.36 -0.94 2.92 -4.23 -0.17 -1.54 115.64 114.05 2hdm s THR 41 Ca -0.02 -0.41 0.21 0.00 -1.18 0.00 0.00 61.69 60.29 2hdm s THR 41 Cb -0.14 -2.96 0.18 0.00 1.34 0.00 0.00 72.50 70.93 2hdm s THR 41 CO 0.04 0.00 1.67 0.29 -0.54 0.00 0.00 174.62 176.08 2hdm n LYS 42 N -2.77 0.03 0.16 3.99 5.02 -0.75 -0.93 118.16 122.90 2hdm n LYS 42 Ca 0.09 0.17 0.12 0.00 -2.02 0.00 0.00 58.31 56.67 2hdm n LYS 42 Cb 0.60 -1.55 0.19 0.00 -0.02 0.00 0.00 35.03 34.25 2hdm n LYS 42 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 2hdm h ARG 43 N 0.00 0.00 0.00 1.97 2.43 -1.93 -3.48 114.38 113.38 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 0.38 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 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 1.18 0.94 3.85 2.80 0.00 -0.11 -5.07 105.19 108.79 2hdm n GLY 44 Ca 0.04 -0.01 -0.32 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 4.10 -0.30 0.99 1.43 -1.26 -4.80 118.68 118.84 2hdm s LEU 45 Ca 0.00 1.20 -0.11 0.00 -1.03 0.00 0.00 54.13 54.18 2hdm s LEU 45 Cb 0.00 -3.96 -0.03 0.00 0.03 0.00 0.00 46.19 42.23 2hdm s LEU 45 CO 0.00 -0.16 0.20 -0.54 0.23 0.00 0.00 176.35 176.07 2hdm s LYS 46 N -2.89 3.68 0.10 1.70 1.02 -1.26 -1.00 119.74 121.09 2hdm s LYS 46 Ca 0.52 -0.50 0.09 0.00 0.02 0.00 0.00 55.97 56.10 2hdm s LYS 46 Cb -0.11 -3.68 -0.04 0.00 -0.52 0.00 0.00 37.83 33.49 2hdm s LYS 46 CO 0.18 -0.31 -0.20 0.08 -0.92 0.00 0.00 175.35 174.19 2hdm s VAL 47 N 1.72 2.71 -0.12 3.17 1.01 0.15 -4.99 120.40 124.06 2hdm s VAL 47 Ca 0.06 -1.48 0.03 0.00 0.00 0.00 0.00 61.98 60.59 2hdm s VAL 47 Cb -0.17 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 34.01 2hdm s VAL 47 CO 0.10 0.15 -0.20 0.00 0.00 0.00 0.00 175.10 175.15 2hdm s ALA 49 N 0.71 1.18 -0.09 0.00 0.00 0.23 -2.81 121.76 120.98 2hdm s ALA 49 Ca -0.11 -1.10 -0.30 0.00 0.00 0.00 0.00 51.96 50.45 2hdm s ALA 49 Cb -0.16 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 2hdm s ALA 49 CO 0.02 0.08 1.19 -0.51 0.00 0.00 0.00 175.76 176.54 2hdm s ASP 50 N -2.10 7.05 0.00 0.00 1.11 -1.26 -2.05 116.67 119.42 2hdm s ASP 50 Ca 0.02 1.75 0.15 0.00 0.18 0.00 0.00 52.55 54.65 2hdm s ASP 50 Cb -0.07 -2.55 0.70 0.00 1.07 0.00 0.00 42.92 42.07 2hdm s ASP 50 CO 0.02 -0.61 1.47 -0.81 1.18 0.00 0.00 175.17 176.42 2hdm n PRO 51 N 5.52 0.07 0.05 8.23 -0.04 -1.26 -1.80 135.00 145.77 2hdm n PRO 51 Ca 0.11 0.20 0.04 0.00 -0.04 0.00 0.00 63.50 63.82 2hdm n PRO 51 Cb 0.46 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.43 0.62 -2.01 0.54 6.02 -1.26 -4.61 117.38 115.25 2hdm n GLN 52 Ca 0.05 0.17 -0.42 0.00 -0.01 0.00 0.00 57.00 56.79 2hdm n GLN 52 Cb 0.16 -1.80 -0.03 0.00 1.02 0.00 0.00 30.24 29.59 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 -3.09 3.67 0.40 -1.58 0.00 -0.75 -4.86 121.76 115.55 2hdm s ALA 53 Ca -0.02 1.15 0.07 0.00 0.00 0.00 0.00 51.96 53.16 2hdm s ALA 53 Cb 0.09 -3.65 0.83 0.00 0.00 0.00 0.00 23.12 20.39 2hdm s ALA 53 CO 0.81 -0.97 2.02 1.15 0.00 0.00 0.00 175.76 178.76 2hdm h THR 54 N 4.66 1.06 -0.13 0.00 2.02 -1.90 0.32 112.91 118.94 2hdm h THR 54 Ca -0.42 -0.21 -0.10 0.00 0.77 0.00 0.00 66.41 66.45 2hdm h THR 54 Cb 1.20 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 2hdm h THR 54 CO 0.92 0.11 -0.36 4.11 0.37 0.00 0.00 175.52 180.66 2hdm h TRP 55 N 0.62 0.32 -0.01 3.16 5.08 -1.94 -1.05 115.95 122.12 2hdm h TRP 55 Ca 0.22 -0.08 -0.02 0.00 1.08 0.00 0.00 58.89 60.10 2hdm h TRP 55 Cb 0.11 -0.07 0.00 0.00 -3.00 0.00 0.00 29.16 26.20 2hdm h TRP 55 CO -0.00 0.61 -0.05 0.28 -1.28 0.00 0.00 178.44 178.00 2hdm h VAL 56 N 0.24 1.51 -0.71 0.12 2.07 -1.48 -2.60 116.25 115.39 2hdm h VAL 56 Ca 0.03 -1.56 0.16 0.00 0.82 0.00 0.00 66.70 66.14 2hdm h VAL 56 Cb 0.76 2.52 -0.04 0.00 -1.52 0.00 0.00 31.29 33.01 2hdm h VAL 56 CO 0.06 0.41 0.48 0.03 0.02 0.00 0.00 177.57 178.58 2hdm h ARG 57 N -0.57 0.29 -0.07 1.57 3.08 -0.15 0.51 114.38 119.05 2hdm h ARG 57 Ca -0.00 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 59.90 2hdm h ARG 57 Cb 0.70 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.70 2hdm h ARG 57 CO 0.01 0.19 -0.45 0.22 -1.07 0.00 0.00 179.97 178.87 2hdm h ASP 58 N 0.30 0.52 0.58 7.04 3.58 -1.20 -3.10 116.42 124.14 2hdm h ASP 58 Ca 0.35 -0.67 -0.28 0.00 0.42 0.00 0.00 57.03 56.84 2hdm h ASP 58 Cb 0.93 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.83 2hdm h ASP 58 CO -0.09 1.11 -1.33 0.00 -2.88 0.00 0.00 179.24 176.04 2hdm h VAL 60 N 0.07 0.74 0.13 0.00 3.04 -0.21 0.87 116.25 120.89 2hdm h VAL 60 Ca -0.17 -0.57 -0.19 0.00 -1.01 0.00 0.00 66.70 64.76 2hdm h VAL 60 Cb 1.99 1.34 0.02 0.00 -2.01 0.00 0.00 31.29 32.63 2hdm h VAL 60 CO 0.19 0.14 -0.88 -0.09 -1.01 0.00 0.00 177.57 175.92 2hdm h ARG 61 N 0.00 0.28 -0.55 4.17 9.65 -1.46 -3.21 114.38 123.26 2hdm h ARG 61 Ca -0.00 -0.47 0.01 0.00 -1.10 0.00 0.00 59.98 58.42 2hdm h ARG 61 Cb 0.33 0.18 -0.03 0.00 -1.39 0.00 0.00 29.97 29.06 2hdm h ARG 61 CO 0.02 1.23 0.35 1.03 2.80 0.00 0.00 179.97 185.40 2hdm h SER 62 N -0.39 0.60 -0.37 -3.80 0.87 -0.05 0.20 113.55 110.60 2hdm h SER 62 Ca -0.16 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.33 2hdm h SER 62 Cb 1.63 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 63.43 2hdm h SER 62 CO 0.13 0.43 0.05 0.24 -0.53 0.00 0.00 176.83 177.16 2hdm h MET 63 N 0.72 0.71 -0.20 2.24 2.86 -0.98 0.24 114.93 120.51 2hdm h MET 63 Ca 0.21 -0.16 -0.16 0.00 -2.06 0.00 0.00 59.70 57.53 2hdm h MET 63 Cb -0.05 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 2hdm h MET 63 CO -0.06 0.69 -0.53 0.22 1.06 0.00 0.00 176.91 178.29 2hdm h ASP 64 N 0.68 0.63 -0.58 1.22 3.58 -1.46 -1.81 116.42 118.67 2hdm h ASP 64 Ca 0.15 -0.33 -0.07 0.00 0.42 0.00 0.00 57.03 57.20 2hdm h ASP 64 Cb 0.34 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.18 2hdm h ASP 64 CO 0.01 1.04 0.13 -0.09 -2.88 0.00 0.00 179.24 177.44 2hdm h ARG 65 N 0.44 0.98 0.00 0.28 2.43 0.49 -0.95 114.38 118.05 2hdm h ARG 65 Ca 0.01 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 58.95 2hdm h ARG 65 Cb 1.07 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.49 2hdm h ARG 65 CO 0.10 0.89 -0.03 0.87 -1.51 0.00 0.00 179.97 180.29 2hdm h LYS 66 N 0.93 0.00 -1.69 0.20 1.57 -0.41 -3.46 116.57 113.72 2hdm h LYS 66 Ca 0.19 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.65 2hdm h LYS 66 Cb 0.37 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.62 2hdm h LYS 66 CO 0.00 0.03 -0.37 0.45 -0.57 0.00 0.00 179.45 179.00 2hdm n SER 67 N -3.14 -4.83 -0.53 0.86 2.88 -0.36 -4.85 113.62 103.65 2hdm n SER 67 Ca 0.00 0.15 0.08 0.00 -1.33 0.00 0.00 58.87 57.77 2hdm n SER 67 Cb 0.30 -3.87 0.30 0.00 -0.75 0.00 0.00 64.21 60.19 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 -0.87 1.56 -3.57 -3.46 4.05 -0.75 -4.78 115.26 107.45 2hdm n ASN 68 Ca -0.18 -1.80 -0.09 0.00 0.45 0.00 0.00 54.58 52.96 2hdm n ASN 68 Cb 0.60 -0.14 -0.02 0.00 1.23 0.00 0.00 39.78 41.45 2hdm n ASN 68 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 2hdm s THR 69 N -1.72 0.00 -0.15 -0.44 -1.32 -1.24 -4.98 115.64 105.78 2hdm s THR 69 Ca 0.28 -0.29 -0.00 0.00 -1.21 0.00 0.00 61.69 60.47 2hdm s THR 69 Cb 0.15 -1.32 -0.01 0.00 -1.51 0.00 0.00 72.50 69.81 2hdm s THR 69 CO 0.21 0.00 -0.14 0.00 -2.21 0.00 0.00 174.62 172.49 2hdm s ARG 70 N -3.61 3.27 -0.08 7.08 1.04 -1.26 -4.68 118.95 120.71 2hdm s ARG 70 Ca 0.05 -0.72 0.03 0.00 -1.04 0.00 0.00 55.73 54.04 2hdm s ARG 70 Cb -0.02 -2.66 -0.07 0.00 -2.04 0.00 0.00 34.95 30.17 2hdm s ARG 70 CO -0.06 0.05 -0.04 -1.71 -0.04 0.00 0.00 175.30 173.50 2hdm n ASN 71 N 3.99 3.33 0.00 -2.89 2.85 -1.26 -5.01 115.26 116.27 2hdm n ASN 71 Ca -0.19 -0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.25 2hdm n ASN 71 Cb 0.52 0.16 0.00 0.00 1.24 0.00 0.00 39.78 41.70 2hdm n ASN 71 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2hdm n ASN 72 N -2.57 -3.20 -0.60 1.20 4.13 -1.26 -2.43 115.26 110.53 2hdm n ASN 72 Ca -0.14 0.00 -0.08 0.00 1.68 0.00 0.00 54.58 56.04 2hdm n ASN 72 Cb 0.68 -2.06 -0.03 0.00 -1.54 0.00 0.00 39.78 36.83 2hdm n ASN 72 CO 0.00 0.00 0.00 0.80 0.28 0.00 0.00 177.26 178.34 2hdm n MET 73 N -1.04 -1.57 -2.68 3.52 0.00 -1.26 -3.47 117.12 110.62 2hdm n MET 73 Ca 0.00 0.74 -0.01 0.00 -0.00 0.00 0.00 57.70 58.43 2hdm n MET 73 Cb 0.20 -5.05 0.00 0.00 0.00 0.00 0.00 33.22 28.37 2hdm n MET 73 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 2hdm n ILE 74 N -2.26-11.53 1.76 1.12 5.41 -1.02 -5.34 119.36 107.50 2hdm n ILE 74 Ca -0.08 1.65 0.15 0.00 1.00 0.00 0.00 62.75 65.47 2hdm n ILE 74 Cb 0.51 -6.88 0.75 0.00 -0.71 0.00 0.00 39.64 33.32 2hdm n ILE 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55