#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hdm s SER 3 N 0.00 4.69 -1.29 1.61 0.01 -1.26 -5.02 113.70 112.43 2hdm s SER 3 Ca 0.00 -0.61 -0.18 0.00 1.31 0.00 0.00 55.95 56.46 2hdm s SER 3 Cb 0.00 -0.90 0.05 0.00 0.21 0.00 0.00 66.02 65.38 2hdm s SER 3 CO 0.00 -0.04 1.78 -0.62 0.41 0.00 0.00 173.24 174.77 2hdm n GLU 4 N -0.97 3.01 -2.65 12.44 4.71 -1.26 -4.93 120.64 130.99 2hdm n GLU 4 Ca -0.06 -3.16 -0.42 0.00 -0.01 0.00 0.00 57.16 53.50 2hdm n GLU 4 Cb 0.59 -3.51 -0.03 0.00 -1.01 0.00 0.00 31.44 27.48 2hdm n GLU 4 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2hdm s VAL 5 N 4.93 4.70 0.21 2.62 1.01 -1.26 -4.87 120.40 127.74 2hdm s VAL 5 Ca 0.55 1.96 0.00 0.00 0.00 0.00 0.00 61.98 64.49 2hdm s VAL 5 Cb 0.04 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.16 2hdm s VAL 5 CO 0.08 0.07 0.00 -1.54 0.00 0.00 0.00 175.10 173.71 2hdm n SER 6 N 4.51 -7.53 0.00 3.32 3.41 -1.26 -5.05 113.62 111.02 2hdm n SER 6 Ca 0.08 0.99 0.00 0.00 -0.26 0.00 0.00 58.87 59.68 2hdm n SER 6 Cb 0.49 -2.79 0.00 0.00 -0.26 0.00 0.00 64.21 61.65 2hdm n SER 6 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2hdm n ASP 7 N -3.74 0.00 -4.92 4.04 -0.08 -1.26 -5.13 116.55 105.46 2hdm n ASP 7 Ca 0.01 0.00 -0.26 0.00 -1.51 0.00 0.00 54.79 53.03 2hdm n ASP 7 Cb 0.42 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.89 2hdm n ASP 7 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2hdm s LYS 8 N 1.33 3.27 -1.79 -0.67 1.02 -1.26 -4.20 119.74 117.45 2hdm s LYS 8 Ca 0.00 -0.07 0.00 0.00 0.02 0.00 0.00 55.97 55.92 2hdm s LYS 8 Cb 0.00 -2.42 0.00 0.00 -0.52 0.00 0.00 37.83 34.89 2hdm s LYS 8 CO 0.00 -0.31 0.00 0.54 -0.92 0.00 0.00 175.35 174.66 2hdm n ARG 9 N -2.25 -1.29 0.21 1.68 1.74 -1.26 -4.88 116.66 110.60 2hdm n ARG 9 Ca 0.01 1.05 0.08 0.00 -0.77 0.00 0.00 57.85 58.22 2hdm n ARG 9 Cb 0.56 -5.38 0.41 0.00 -1.02 0.00 0.00 32.46 27.03 2hdm n ARG 9 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2hdm h THR 10 N 0.00 0.74 -3.84 0.55 2.02 -2.01 -3.43 112.91 106.94 2hdm h THR 10 Ca -0.38 -1.30 -0.68 0.00 0.77 0.00 0.00 66.41 64.82 2hdm h THR 10 Cb 1.21 1.82 -0.20 0.00 -1.74 0.00 0.00 68.15 69.24 2hdm h THR 10 CO 0.52 0.29 -0.75 0.00 0.37 0.00 0.00 175.52 175.95 2hdm n VAL 12 N 1.78 0.00 -2.27 0.00 0.24 -1.26 -4.91 118.33 111.91 2hdm n VAL 12 Ca -0.16 -0.42 -0.28 0.00 -2.04 0.00 0.00 64.34 61.43 2hdm n VAL 12 Cb 0.52 0.98 0.02 0.00 -1.47 0.00 0.00 33.84 33.90 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 -0.91 5.84 0.19 -1.34 0.01 -1.26 -5.02 113.70 111.21 2hdm s SER 13 Ca 0.00 0.96 0.05 0.00 1.31 0.00 0.00 55.95 58.27 2hdm s SER 13 Cb 0.00 -2.01 -0.05 0.00 0.21 0.00 0.00 66.02 64.17 2hdm s SER 13 CO 0.00 -0.96 -0.07 -0.76 0.41 0.00 0.00 173.24 171.86 2hdm s LEU 14 N -5.03 2.41 0.05 2.44 1.43 -1.26 -4.41 118.68 114.30 2hdm s LEU 14 Ca 0.53 -1.10 0.03 0.00 -1.03 0.00 0.00 54.13 52.56 2hdm s LEU 14 Cb -0.11 -0.38 -0.03 0.00 0.03 0.00 0.00 46.19 45.71 2hdm s LEU 14 CO 0.48 -0.37 -0.09 0.28 0.23 0.00 0.00 176.35 176.88 2hdm s THR 15 N -3.29 0.62 -0.56 5.49 -1.32 -0.44 -4.89 115.64 111.25 2hdm s THR 15 Ca 0.22 -1.14 0.20 0.00 -1.21 0.00 0.00 61.69 59.76 2hdm s THR 15 Cb 0.03 -0.71 -0.26 0.00 -1.51 0.00 0.00 72.50 70.05 2hdm s THR 15 CO 0.05 -0.38 0.68 0.35 -2.21 0.00 0.00 174.62 173.11 2hdm n THR 16 N 1.38 0.00 -2.24 5.08 -2.24 -1.26 -4.27 114.28 110.72 2hdm n THR 16 Ca -0.22 -0.21 -0.42 0.00 -2.27 0.00 0.00 64.05 60.92 2hdm n THR 16 Cb 0.55 0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 69.34 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 -3.10 4.34 -0.17 -0.78 -2.07 -1.26 -4.97 119.66 111.64 2hdm s GLN 17 Ca 0.01 1.97 -0.12 0.00 -1.82 0.00 0.00 55.36 55.40 2hdm s GLN 17 Cb 0.14 -3.36 -0.05 0.00 -1.09 0.00 0.00 33.01 28.66 2hdm s GLN 17 CO 0.83 -0.43 0.23 1.03 -1.32 0.00 0.00 175.29 175.62 2hdm s ARG 18 N 1.44 4.18 -0.10 9.60 0.52 -1.26 -5.07 118.95 128.26 2hdm s ARG 18 Ca 0.63 -0.03 0.02 0.00 -0.52 0.00 0.00 55.73 55.83 2hdm s ARG 18 Cb -0.34 -3.41 -0.02 0.00 0.52 0.00 0.00 34.95 31.71 2hdm s ARG 18 CO 0.29 0.30 -0.16 -0.51 0.02 0.00 0.00 175.30 175.24 2hdm s LEU 19 N 0.30 2.57 0.83 2.53 1.02 -1.26 -5.12 118.68 119.55 2hdm s LEU 19 Ca 0.13 -0.35 -0.12 0.00 0.02 0.00 0.00 54.13 53.82 2hdm s LEU 19 Cb -0.12 -1.55 0.09 0.00 0.02 0.00 0.00 46.19 44.63 2hdm s LEU 19 CO 0.02 0.22 1.10 -2.16 0.02 0.00 0.00 176.35 175.54 2hdm s PRO 20 N 0.03 1.85 0.21 1.29 0.04 -1.26 -4.86 135.00 132.30 2hdm s PRO 20 Ca -0.06 0.65 0.19 0.00 0.04 0.00 0.00 61.00 61.82 2hdm s PRO 20 Cb -0.15 -1.89 0.88 0.00 0.04 0.00 0.00 34.50 33.39 2hdm s PRO 20 CO 0.05 -1.79 1.59 0.00 0.04 0.00 0.00 177.00 176.89 2hdm h SER 22 N 0.00 0.00 0.10 0.00 0.87 -2.03 -3.01 113.55 109.48 2hdm h SER 22 Ca 0.00 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.20 2hdm h SER 22 Cb 0.21 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.11 2hdm h SER 22 CO 0.00 0.18 -2.25 0.54 -0.53 0.00 0.00 176.83 174.77 2hdm n ARG 23 N -3.61 0.68 -1.82 2.24 1.74 0.04 -4.90 116.66 111.02 2hdm n ARG 23 Ca -0.01 0.12 -0.42 0.00 -0.77 0.00 0.00 57.85 56.77 2hdm n ARG 23 Cb 0.31 -1.59 -0.03 0.00 -1.02 0.00 0.00 32.46 30.14 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 -2.53 2.27 -0.08 0.55 -1.09 -0.96 -1.65 121.20 117.72 2hdm s ILE 24 Ca -0.17 0.20 -0.10 0.00 -2.23 0.00 0.00 60.65 58.35 2hdm s ILE 24 Cb 0.07 -3.13 -0.03 0.00 -1.58 0.00 0.00 42.46 37.79 2hdm s ILE 24 CO 0.76 0.02 -0.20 1.17 -1.23 0.00 0.00 174.94 175.46 2hdm n LYS 25 N 3.58 0.30 -4.03 2.79 4.81 0.37 -4.74 118.16 121.24 2hdm n LYS 25 Ca 0.13 0.12 -0.10 0.00 -0.87 0.00 0.00 58.31 57.60 2hdm n LYS 25 Cb 0.37 -1.00 -0.08 0.00 0.02 0.00 0.00 35.03 34.34 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 -2.30 0.07 0.15 3.15 -1.32 -1.15 -5.01 115.64 109.23 2hdm s THR 26 Ca -0.17 -1.58 0.03 0.00 -1.21 0.00 0.00 61.69 58.76 2hdm s THR 26 Cb 0.02 -1.94 -0.04 0.00 -1.51 0.00 0.00 72.50 69.03 2hdm s THR 26 CO 0.25 -0.33 -0.05 -0.72 -2.21 0.00 0.00 174.62 171.55 2hdm s TYR 27 N -4.00 1.18 -0.08 9.09 -0.85 -1.26 -0.52 117.35 120.90 2hdm s TYR 27 Ca 0.20 -0.89 -0.03 0.00 -0.52 0.00 0.00 57.07 55.84 2hdm s TYR 27 Cb 0.05 -0.65 0.04 0.00 0.38 0.00 0.00 41.96 41.78 2hdm s TYR 27 CO 0.01 -0.07 0.09 0.99 -1.52 0.00 0.00 175.55 175.06 2hdm s THR 28 N -3.50 -0.15 -0.01 -3.49 2.01 0.11 -4.96 115.64 105.65 2hdm s THR 28 Ca 0.19 0.27 -0.19 0.00 0.31 0.00 0.00 61.69 62.27 2hdm s THR 28 Cb 0.05 -0.29 -0.05 0.00 0.01 0.00 0.00 72.50 72.21 2hdm s THR 28 CO 0.01 0.06 0.52 -0.63 -0.69 0.00 0.00 174.62 173.90 2hdm s ILE 29 N 2.20 4.96 -0.08 1.82 1.01 -1.26 0.21 121.20 130.06 2hdm s ILE 29 Ca 0.04 1.09 0.04 0.00 0.00 0.00 0.00 60.65 61.82 2hdm s ILE 29 Cb -0.13 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.49 2hdm s ILE 29 CO -0.05 0.46 -0.20 0.42 0.00 0.00 0.00 174.94 175.57 2hdm s THR 30 N -0.38 1.71 -0.14 2.92 -4.23 0.57 -4.96 115.64 111.13 2hdm s THR 30 Ca 0.28 -0.83 -0.09 0.00 -1.18 0.00 0.00 61.69 59.86 2hdm s THR 30 Cb -0.17 -1.49 0.05 0.00 1.34 0.00 0.00 72.50 72.22 2hdm s THR 30 CO 0.15 0.48 0.34 -1.83 -0.54 0.00 0.00 174.62 173.23 2hdm s GLU 31 N 0.32 0.35 0.00 3.99 -1.05 -1.26 -0.84 118.70 120.21 2hdm s GLU 31 Ca -0.14 0.61 0.00 0.00 -0.15 0.00 0.00 54.97 55.29 2hdm s GLU 31 Cb -0.16 0.03 0.00 0.00 -0.44 0.00 0.00 34.13 33.56 2hdm s GLU 31 CO 0.06 -0.12 0.00 0.41 0.95 0.00 0.00 175.26 176.56 2hdm n GLY 32 N 3.75 -0.97 0.08 -3.83 0.00 -1.26 -4.95 105.19 98.01 2hdm n GLY 32 Ca -0.20 0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 2hdm n GLY 32 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2hdm n SER 33 N -1.46 2.25 -4.52 1.61 3.41 -1.26 -4.97 113.62 108.68 2hdm n SER 33 Ca 0.00 -0.06 -0.31 0.00 -0.26 0.00 0.00 58.87 58.24 2hdm n SER 33 Cb 0.00 0.11 -0.11 0.00 -0.26 0.00 0.00 64.21 63.95 2hdm n SER 33 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2hdm s LEU 34 N -5.69 2.84 -0.15 1.04 2.96 -1.26 -5.12 118.68 113.31 2hdm s LEU 34 Ca -0.18 -0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 53.34 2hdm s LEU 34 Cb 0.05 -1.66 -0.01 0.00 0.50 0.00 0.00 46.19 45.07 2hdm s LEU 34 CO 0.47 0.23 -0.12 -0.13 -1.32 0.00 0.00 176.35 175.48 2hdm s ARG 35 N -1.73 3.36 -0.03 1.98 0.52 -1.26 -4.00 118.95 117.79 2hdm s ARG 35 Ca 0.17 -0.68 0.02 0.00 -0.52 0.00 0.00 55.73 54.72 2hdm s ARG 35 Cb -0.11 -2.70 0.01 0.00 0.52 0.00 0.00 34.95 32.68 2hdm s ARG 35 CO 0.09 0.11 -0.07 0.00 0.02 0.00 0.00 175.30 175.45 2hdm s ALA 36 N 0.61 0.75 -0.36 2.13 0.00 -0.02 -4.38 121.76 120.49 2hdm s ALA 36 Ca -0.07 -0.21 -0.14 0.00 0.00 0.00 0.00 51.96 51.53 2hdm s ALA 36 Cb -0.15 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 2hdm s ALA 36 CO 0.03 0.08 0.30 0.08 0.00 0.00 0.00 175.76 176.25 2hdm s VAL 37 N 0.42 5.23 -0.33 0.00 1.01 0.67 -0.32 120.40 127.09 2hdm s VAL 37 Ca -0.06 -0.22 -0.19 0.00 0.00 0.00 0.00 61.98 61.51 2hdm s VAL 37 Cb -0.10 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 2hdm s VAL 37 CO 0.00 -0.11 0.54 -0.63 0.00 0.00 0.00 175.10 174.91 2hdm s ILE 38 N 1.83 5.00 -0.15 2.22 1.01 0.13 0.20 121.20 131.44 2hdm s ILE 38 Ca 0.08 0.53 -0.10 0.00 0.00 0.00 0.00 60.65 61.16 2hdm s ILE 38 Cb -0.17 -3.96 -0.05 0.00 0.01 0.00 0.00 42.46 38.29 2hdm s ILE 38 CO 0.11 -0.16 0.19 -0.36 0.00 0.00 0.00 174.94 174.71 2hdm s PHE 39 N 2.45 3.51 -0.15 3.97 0.08 0.12 0.08 117.98 128.03 2hdm s PHE 39 Ca 0.21 0.50 -0.04 0.00 0.12 0.00 0.00 56.93 57.71 2hdm s PHE 39 Cb -0.15 -2.14 -0.03 0.00 -0.57 0.00 0.00 43.02 40.13 2hdm s PHE 39 CO 0.13 0.45 -0.01 0.42 -0.10 0.00 0.00 175.22 176.11 2hdm s ILE 40 N -0.18 4.13 0.59 0.64 -1.09 0.32 0.21 121.20 125.82 2hdm s ILE 40 Ca 0.13 -0.28 -0.05 0.00 -2.23 0.00 0.00 60.65 58.22 2hdm s ILE 40 Cb -0.12 -2.81 0.01 0.00 -1.58 0.00 0.00 42.46 37.97 2hdm s ILE 40 CO 0.02 0.50 0.89 0.42 -1.23 0.00 0.00 174.94 175.55 2hdm s THR 41 N 0.17 3.50 -1.06 2.92 -4.23 -0.30 -0.48 115.64 116.16 2hdm s THR 41 Ca -0.00 -0.08 0.14 0.00 -1.18 0.00 0.00 61.69 60.57 2hdm s THR 41 Cb -0.13 -3.39 0.14 0.00 1.34 0.00 0.00 72.50 70.45 2hdm s THR 41 CO 0.02 -0.39 1.44 2.29 -0.54 0.00 0.00 174.62 177.44 2hdm n LYS 42 N -2.58 0.03 0.18 3.99 2.85 -0.66 -1.18 118.16 120.79 2hdm n LYS 42 Ca 0.05 0.24 0.12 0.00 -1.05 0.00 0.00 58.31 57.67 2hdm n LYS 42 Cb 0.58 -1.50 0.21 0.00 -0.65 0.00 0.00 35.03 33.67 2hdm n LYS 42 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 2hdm h ARG 43 N 0.00 0.00 0.00 -1.58 1.12 -1.92 -3.47 114.38 108.53 2hdm h ARG 43 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2hdm h ARG 43 Cb 0.23 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.19 2hdm h ARG 43 CO 0.00 0.00 0.00 0.41 -3.11 0.00 0.00 179.97 177.27 2hdm n GLY 44 N 1.17 0.96 3.92 2.80 0.00 -0.33 -5.08 105.19 108.63 2hdm n GLY 44 Ca 0.04 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.30 0.99 1.43 -1.26 -4.87 118.68 119.01 2hdm s LEU 45 Ca 0.00 0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 53.30 2hdm s LEU 45 Cb 0.00 -3.01 -0.04 0.00 0.03 0.00 0.00 46.19 43.17 2hdm s LEU 45 CO 0.00 0.14 0.21 -0.54 0.23 0.00 0.00 176.35 176.38 2hdm s LYS 46 N -2.61 3.80 0.05 1.70 1.02 -1.26 -1.15 119.74 121.29 2hdm s LYS 46 Ca 0.36 -0.43 0.05 0.00 0.02 0.00 0.00 55.97 55.97 2hdm s LYS 46 Cb -0.13 -3.71 -0.04 0.00 -0.52 0.00 0.00 37.83 33.44 2hdm s LYS 46 CO 0.28 -0.27 -0.08 0.08 -0.92 0.00 0.00 175.35 174.44 2hdm s VAL 47 N 1.75 3.53 -0.12 3.17 1.01 0.13 -4.98 120.40 124.90 2hdm s VAL 47 Ca 0.07 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.06 2hdm s VAL 47 Cb -0.16 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.63 2hdm s VAL 47 CO 0.11 0.25 -0.20 0.00 0.00 0.00 0.00 175.10 175.26 2hdm s ALA 49 N 0.81 1.04 -0.02 0.00 0.00 0.13 -1.32 121.76 122.40 2hdm s ALA 49 Ca -0.09 -1.01 -0.30 0.00 0.00 0.00 0.00 51.96 50.57 2hdm s ALA 49 Cb -0.16 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 2hdm s ALA 49 CO -0.00 0.07 1.02 0.34 0.00 0.00 0.00 175.76 177.20 2hdm s ASP 50 N -1.90 7.29 0.08 0.00 2.15 -1.26 -0.24 116.67 122.79 2hdm s ASP 50 Ca -0.02 1.68 0.16 0.00 0.43 0.00 0.00 52.55 54.80 2hdm s ASP 50 Cb -0.08 -2.57 0.67 0.00 -0.30 0.00 0.00 42.92 40.64 2hdm s ASP 50 CO 0.01 -0.34 1.48 -0.81 -0.17 0.00 0.00 175.17 175.35 2hdm n PRO 51 N 4.20 0.06 0.00 4.34 -0.04 -1.26 -1.75 135.00 140.54 2hdm n PRO 51 Ca 0.07 0.34 0.11 0.00 -0.04 0.00 0.00 63.50 63.99 2hdm n PRO 51 Cb 0.50 -1.62 0.13 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.73 0.02 -2.16 0.54 1.13 -1.26 -4.50 117.38 109.42 2hdm n GLN 52 Ca 0.02 -0.02 -0.42 0.00 -1.94 0.00 0.00 57.00 54.65 2hdm n GLN 52 Cb 0.16 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 28.98 2hdm n GLN 52 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2hdm s ALA 53 N -2.99 3.57 0.36 -1.58 0.00 -0.72 -4.91 121.76 115.49 2hdm s ALA 53 Ca 0.10 1.15 0.03 0.00 0.00 0.00 0.00 51.96 53.24 2hdm s ALA 53 Cb 0.17 -3.52 0.66 0.00 0.00 0.00 0.00 23.12 20.43 2hdm s ALA 53 CO 0.75 -0.60 1.99 1.15 0.00 0.00 0.00 175.76 179.05 2hdm h THR 54 N 3.94 1.16 -0.03 0.00 2.02 -1.89 0.67 112.91 118.77 2hdm h THR 54 Ca -0.44 -0.37 -0.15 0.00 0.77 0.00 0.00 66.41 66.23 2hdm h THR 54 Cb 1.21 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 2hdm h THR 54 CO 0.82 0.17 -0.66 4.11 0.37 0.00 0.00 175.52 180.33 2hdm h TRP 55 N 0.75 0.18 0.15 3.16 5.08 -1.94 -1.16 115.95 122.18 2hdm h TRP 55 Ca 0.20 -0.07 -0.01 0.00 1.08 0.00 0.00 58.89 60.09 2hdm h TRP 55 Cb -0.02 -0.03 0.00 0.00 -3.00 0.00 0.00 29.16 26.12 2hdm h TRP 55 CO 0.00 0.75 -0.07 0.28 -1.28 0.00 0.00 178.44 178.12 2hdm h VAL 56 N 0.10 0.98 -0.82 0.12 2.07 -1.63 -2.33 116.25 114.74 2hdm h VAL 56 Ca -0.01 -1.01 0.14 0.00 0.82 0.00 0.00 66.70 66.64 2hdm h VAL 56 Cb 1.17 1.56 -0.06 0.00 -1.52 0.00 0.00 31.29 32.44 2hdm h VAL 56 CO 0.09 0.22 0.54 0.03 0.02 0.00 0.00 177.57 178.47 2hdm h ARG 57 N -0.72 0.58 -0.31 1.57 3.08 -0.83 0.59 114.38 118.33 2hdm h ARG 57 Ca -0.02 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 2hdm h ARG 57 Cb 0.52 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 2hdm h ARG 57 CO 0.03 0.38 0.09 0.22 -1.07 0.00 0.00 179.97 179.62 2hdm h ASP 58 N 0.59 0.46 0.26 7.04 3.58 -1.17 -3.00 116.42 124.18 2hdm h ASP 58 Ca 0.41 -0.22 -0.34 0.00 0.42 0.00 0.00 57.03 57.30 2hdm h ASP 58 Cb 0.73 -0.12 -0.05 0.00 1.72 0.00 0.00 39.33 41.61 2hdm h ASP 58 CO -0.16 0.56 -1.98 0.00 -2.88 0.00 0.00 179.24 174.77 2hdm h VAL 60 N 0.02 0.66 0.00 0.00 3.04 -0.06 0.34 116.25 120.24 2hdm h VAL 60 Ca -0.40 -0.32 -0.24 0.00 -1.01 0.00 0.00 66.70 64.73 2hdm h VAL 60 Cb 2.05 1.20 -0.04 0.00 -2.01 0.00 0.00 31.29 32.48 2hdm h VAL 60 CO 0.06 0.08 -1.95 0.54 -1.01 0.00 0.00 177.57 175.29 2hdm n ARG 61 N -3.86 0.66 -0.21 4.17 1.74 -1.13 -2.92 116.66 115.11 2hdm n ARG 61 Ca -0.02 0.07 -0.08 0.00 -0.77 0.00 0.00 57.85 57.05 2hdm n ARG 61 Cb 0.17 -1.64 0.02 0.00 -1.02 0.00 0.00 32.46 29.99 2hdm n ARG 61 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2hdm h SER 62 N 0.00 0.86 0.35 0.55 0.87 -0.09 0.18 113.55 116.27 2hdm h SER 62 Ca -0.31 -0.22 -0.15 0.00 -1.23 0.00 0.00 61.79 59.88 2hdm h SER 62 Cb 1.82 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 63.54 2hdm h SER 62 CO 0.04 0.85 -0.62 0.24 -0.53 0.00 0.00 176.83 176.81 2hdm h MET 63 N 0.82 0.26 0.00 2.24 2.86 -1.12 -2.35 114.93 117.65 2hdm h MET 63 Ca 0.18 -0.18 -0.05 0.00 -2.06 0.00 0.00 59.70 57.60 2hdm h MET 63 Cb 0.32 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 2hdm h MET 63 CO -0.00 0.79 -0.23 0.22 1.06 0.00 0.00 176.91 178.75 2hdm h ASP 64 N 0.19 0.00 0.84 1.22 3.58 -1.35 -2.14 116.42 118.77 2hdm h ASP 64 Ca -0.01 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.28 2hdm h ASP 64 Cb 1.13 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.16 2hdm h ASP 64 CO 0.10 0.23 -0.79 -0.09 -2.88 0.00 0.00 179.24 175.81 2hdm h ARG 65 N 0.00 0.00 -0.20 0.28 9.65 -0.13 -2.56 114.38 121.42 2hdm h ARG 65 Ca -0.00 0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 58.80 2hdm h ARG 65 Cb 0.47 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.04 2hdm h ARG 65 CO 0.03 0.79 -0.21 0.87 2.80 0.00 0.00 179.97 184.25 2hdm h LYS 66 N 0.00 0.35 -2.60 0.20 1.79 -1.01 -3.31 116.57 111.99 2hdm h LYS 66 Ca -0.01 -0.11 -0.59 0.00 -2.18 0.00 0.00 60.65 57.76 2hdm h LYS 66 Cb 1.42 -0.03 -0.39 0.00 -1.58 0.00 0.00 32.23 31.65 2hdm h LYS 66 CO 0.10 0.55 -0.86 0.45 -1.08 0.00 0.00 179.45 178.61 2hdm s SER 67 N -6.84 2.53 -0.85 0.86 0.15 -1.16 -5.06 113.70 103.34 2hdm s SER 67 Ca -0.06 -2.87 -0.21 0.00 0.70 0.00 0.00 55.95 53.52 2hdm s SER 67 Cb 0.14 -0.65 0.10 0.00 -1.71 0.00 0.00 66.02 63.90 2hdm s SER 67 CO 0.76 -0.21 1.12 0.21 1.20 0.00 0.00 173.24 176.32 2hdm s ASN 68 N 0.19 6.44 -0.45 5.45 2.47 -0.97 -4.75 114.94 123.32 2hdm s ASN 68 Ca 0.26 -1.56 0.07 0.00 0.42 0.00 0.00 52.86 52.05 2hdm s ASN 68 Cb -0.08 -2.43 0.18 0.00 -1.45 0.00 0.00 41.25 37.47 2hdm s ASN 68 CO -0.11 -1.28 0.66 0.28 -3.72 0.00 0.00 177.10 172.93 2hdm s THR 69 N 3.56 -0.96 -0.46 -5.21 -1.32 -1.26 -5.10 115.64 104.89 2hdm s THR 69 Ca 0.31 -0.47 -0.29 0.00 -1.21 0.00 0.00 61.69 60.03 2hdm s THR 69 Cb -0.08 -0.03 0.03 0.00 -1.51 0.00 0.00 72.50 70.90 2hdm s THR 69 CO -0.02 -0.03 1.17 0.00 -2.21 0.00 0.00 174.62 173.53 2hdm s ARG 70 N 1.41 3.72 -0.02 7.08 1.70 -1.26 -4.89 118.95 126.69 2hdm s ARG 70 Ca 0.22 0.64 -0.09 0.00 -0.47 0.00 0.00 55.73 56.03 2hdm s ARG 70 Cb -0.03 -3.92 -0.05 0.00 -0.57 0.00 0.00 34.95 30.39 2hdm s ARG 70 CO -0.06 -1.38 0.56 -0.91 -1.08 0.00 0.00 175.30 172.43 2hdm h ASN 71 N 9.37 -0.27 -4.24 -2.89 2.35 -2.00 -3.48 115.58 114.42 2hdm h ASN 71 Ca -0.23 0.01 0.06 0.00 -0.55 0.00 0.00 56.30 55.58 2hdm h ASN 71 Cb 1.07 0.07 -0.22 0.00 0.05 0.00 0.00 38.32 39.28 2hdm h ASN 71 CO 1.12 -0.04 0.49 0.54 -1.65 0.00 0.00 177.43 177.89 2hdm s ASN 72 N -3.85 -0.42 -0.45 5.81 4.22 -1.26 -5.11 114.94 113.88 2hdm s ASN 72 Ca -0.05 0.46 -0.21 0.00 -2.14 0.00 0.00 52.86 50.93 2hdm s ASN 72 Cb 0.00 0.35 0.03 0.00 1.28 0.00 0.00 41.25 42.92 2hdm s ASN 72 CO 0.14 -0.38 0.65 -0.32 -2.04 0.00 0.00 177.10 175.16 2hdm s MET 73 N -1.09 3.26 -0.11 3.55 1.75 -1.26 -4.99 119.30 120.41 2hdm s MET 73 Ca -0.03 -0.42 -0.29 0.00 -1.25 0.00 0.00 55.69 53.70 2hdm s MET 73 Cb -0.00 -3.97 -0.06 0.00 2.84 0.00 0.00 34.83 33.63 2hdm s MET 73 CO 0.03 -1.05 1.95 0.96 -0.65 0.00 0.00 175.02 176.26 2hdm s ILE 74 N 2.85 3.20 0.00 10.11 -4.36 -1.26 -5.25 121.20 126.49 2hdm s ILE 74 Ca 0.22 0.23 0.00 0.00 -0.26 0.00 0.00 60.65 60.84 2hdm s ILE 74 Cb -0.15 -3.20 0.00 0.00 1.25 0.00 0.00 42.46 40.37 2hdm s ILE 74 CO 0.18 -0.08 0.46 0.00 0.24 0.00 0.00 174.94 175.75