#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 0.73 -0.50 1.61 3.41 -1.26 -4.79 113.62 112.83 2hdm n SER 3 Ca 0.00 -2.34 0.08 0.00 -0.26 0.00 0.00 58.87 56.35 2hdm n SER 3 Cb 0.00 -0.28 0.30 0.00 -0.26 0.00 0.00 64.21 63.98 2hdm n SER 3 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2hdm n GLU 4 N -0.35 1.65 -3.09 4.33 4.71 -1.26 -4.94 120.64 121.70 2hdm n GLU 4 Ca 0.05 -0.99 -0.11 0.00 -0.01 0.00 0.00 57.16 56.10 2hdm n GLU 4 Cb 0.73 -1.33 0.01 0.00 -1.01 0.00 0.00 31.44 29.84 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 0.24 -9.22 1.08 2.62 0.31 -1.26 -4.93 118.33 107.17 2hdm n VAL 5 Ca 0.14 0.35 0.12 0.00 -0.01 0.00 0.00 64.34 64.94 2hdm n VAL 5 Cb 0.28 -6.33 0.11 0.00 -0.91 0.00 0.00 33.84 27.00 2hdm n VAL 5 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2hdm n SER 6 N -0.95 1.59 -3.88 4.52 2.88 -1.26 -4.61 113.62 111.91 2hdm n SER 6 Ca 0.02 -1.24 -0.42 0.00 -1.33 0.00 0.00 58.87 55.89 2hdm n SER 6 Cb 0.52 0.40 0.00 0.00 -0.75 0.00 0.00 64.21 64.39 2hdm n SER 6 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2hdm n ASP 7 N -0.38 4.96 0.10 -3.46 8.00 -1.26 -3.73 116.55 120.78 2hdm n ASP 7 Ca 0.10 -3.08 0.00 0.00 0.71 0.00 0.00 54.79 52.52 2hdm n ASP 7 Cb 0.42 -1.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.01 2hdm n ASP 7 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2hdm n LYS 8 N 4.19 0.00 0.00 -1.24 5.02 -1.26 -5.07 118.16 119.80 2hdm n LYS 8 Ca 0.41 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 2hdm n LYS 8 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.38 2hdm n LYS 8 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2hdm n ARG 9 N -2.98 0.00 -1.63 1.97 0.63 -1.24 -4.88 116.66 108.53 2hdm n ARG 9 Ca 0.00 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.49 2hdm n ARG 9 Cb 0.00 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.90 2hdm n ARG 9 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 2hdm n THR 10 N 0.00 2.02 -4.27 5.15 -1.04 -1.26 -4.98 114.28 109.90 2hdm n THR 10 Ca 0.00 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.05 61.21 2hdm n THR 10 Cb 0.00 -1.19 -0.10 0.00 -1.82 0.00 0.00 70.33 67.22 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 0.81 0.81 -3.61 0.00 0.31 -1.26 -4.70 118.33 110.70 2hdm n VAL 12 Ca -0.14 -0.29 -0.37 0.00 -0.01 0.00 0.00 64.34 63.53 2hdm n VAL 12 Cb 0.52 -1.12 -0.07 0.00 -0.91 0.00 0.00 33.84 32.27 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 -5.53 6.50 0.12 4.52 0.01 -1.26 -5.04 113.70 113.01 2hdm s SER 13 Ca -0.19 0.59 0.04 0.00 1.31 0.00 0.00 55.95 57.69 2hdm s SER 13 Cb 0.05 -2.17 -0.04 0.00 0.21 0.00 0.00 66.02 64.08 2hdm s SER 13 CO 0.32 0.22 0.12 -0.76 0.41 0.00 0.00 173.24 173.54 2hdm s LEU 14 N -0.21 3.84 -0.45 2.44 1.43 -1.26 -4.75 118.68 119.72 2hdm s LEU 14 Ca 0.17 -0.04 -0.22 0.00 -1.03 0.00 0.00 54.13 53.01 2hdm s LEU 14 Cb -0.14 -2.49 0.03 0.00 0.03 0.00 0.00 46.19 43.63 2hdm s LEU 14 CO 0.06 0.12 0.75 -0.89 0.23 0.00 0.00 176.35 176.62 2hdm s THR 15 N -1.56 4.70 -1.08 5.49 2.01 0.71 -4.96 115.64 120.94 2hdm s THR 15 Ca 0.30 0.29 -0.03 0.00 0.31 0.00 0.00 61.69 62.56 2hdm s THR 15 Cb -0.11 -4.30 0.30 0.00 0.01 0.00 0.00 72.50 68.40 2hdm s THR 15 CO 0.23 -0.71 1.62 0.41 -0.69 0.00 0.00 174.62 175.48 2hdm n THR 16 N 6.04 5.54 -2.86 -0.82 -1.04 -1.26 -4.35 114.28 115.53 2hdm n THR 16 Ca 0.01 -5.87 0.00 0.00 -2.04 0.00 0.00 64.05 56.14 2hdm n THR 16 Cb 0.48 -1.93 0.00 0.00 -1.82 0.00 0.00 70.33 67.06 2hdm n THR 16 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2hdm n GLN 17 N 1.02 0.00 -4.72 -2.82 10.64 -1.26 -5.19 117.38 115.05 2hdm n GLN 17 Ca 0.33 0.00 -0.31 0.00 -1.83 0.00 0.00 57.00 55.19 2hdm n GLN 17 Cb 0.31 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 29.61 2hdm n GLN 17 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 2hdm s ARG 18 N -1.32 2.12 0.08 2.61 0.52 -1.26 -4.99 118.95 116.70 2hdm s ARG 18 Ca 0.00 -2.32 0.02 0.00 -0.52 0.00 0.00 55.73 52.91 2hdm s ARG 18 Cb 0.00 -1.51 -0.03 0.00 0.52 0.00 0.00 34.95 33.93 2hdm s ARG 18 CO 0.00 -0.29 -0.08 -0.51 0.02 0.00 0.00 175.30 174.44 2hdm s LEU 19 N -3.82 2.38 0.00 2.53 1.43 -1.26 -5.05 118.68 114.89 2hdm s LEU 19 Ca 0.14 -0.78 0.27 0.00 -1.03 0.00 0.00 54.13 52.73 2hdm s LEU 19 Cb 0.04 -0.17 1.54 0.00 0.03 0.00 0.00 46.19 47.62 2hdm s LEU 19 CO 0.07 -0.31 1.94 -0.81 0.23 0.00 0.00 176.35 177.48 2hdm n PRO 20 N 0.71 0.72 0.00 1.29 -0.04 -1.26 -4.89 135.00 131.53 2hdm n PRO 20 Ca -0.17 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2hdm n PRO 20 Cb 0.58 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 -0.32 0.00 0.87 -2.02 0.14 113.55 112.21 2hdm h SER 22 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2hdm h SER 22 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2hdm h SER 22 CO 0.00 0.00 0.00 0.54 -0.53 0.00 0.00 176.83 176.84 2hdm n ARG 23 N -2.84 2.33 -2.83 2.24 1.74 -1.26 -4.94 116.66 111.10 2hdm n ARG 23 Ca -0.03 -2.13 -0.41 0.00 -0.77 0.00 0.00 57.85 54.51 2hdm n ARG 23 Cb 0.06 -1.46 -0.04 0.00 -1.02 0.00 0.00 32.46 30.01 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 -1.42 4.92 -0.18 0.55 1.01 0.48 -1.21 121.20 125.35 2hdm s ILE 24 Ca 0.34 1.84 -0.16 0.00 0.00 0.00 0.00 60.65 62.67 2hdm s ILE 24 Cb 0.20 -4.22 -0.11 0.00 0.01 0.00 0.00 42.46 38.34 2hdm s ILE 24 CO 0.28 0.20 -0.00 1.17 0.00 0.00 0.00 174.94 176.59 2hdm n LYS 25 N 3.80 0.51 -3.67 2.79 0.00 0.27 -4.83 118.16 117.04 2hdm n LYS 25 Ca 0.03 0.53 -0.09 0.00 0.00 0.00 0.00 58.31 58.78 2hdm n LYS 25 Cb 0.51 -1.71 -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 -2.33 0.00 0.10 3.15 -1.32 -1.18 -5.01 115.64 109.04 2hdm s THR 26 Ca -0.23 -0.58 0.04 0.00 -1.21 0.00 0.00 61.69 59.71 2hdm s THR 26 Cb 0.04 -1.55 -0.03 0.00 -1.51 0.00 0.00 72.50 69.45 2hdm s THR 26 CO 0.42 -0.02 -0.11 -0.72 -2.21 0.00 0.00 174.62 171.97 2hdm s TYR 27 N -3.85 1.13 -0.04 9.09 -0.85 -1.26 -0.87 117.35 120.70 2hdm s TYR 27 Ca 0.07 -0.60 -0.01 0.00 -0.52 0.00 0.00 57.07 56.01 2hdm s TYR 27 Cb -0.03 -0.62 0.03 0.00 0.38 0.00 0.00 41.96 41.73 2hdm s TYR 27 CO -0.02 0.03 0.08 0.99 -1.52 0.00 0.00 175.55 175.11 2hdm s THR 28 N -2.14 -0.08 -0.23 -3.49 2.01 0.45 -4.95 115.64 107.20 2hdm s THR 28 Ca 0.04 0.25 -0.08 0.00 0.31 0.00 0.00 61.69 62.21 2hdm s THR 28 Cb -0.05 -0.15 -0.04 0.00 0.01 0.00 0.00 72.50 72.27 2hdm s THR 28 CO 0.01 0.10 0.09 -0.63 -0.69 0.00 0.00 174.62 173.51 2hdm s ILE 29 N 1.38 4.72 -0.25 1.82 1.01 -1.26 0.37 121.20 128.99 2hdm s ILE 29 Ca -0.06 -0.04 -0.08 0.00 0.00 0.00 0.00 60.65 60.47 2hdm s ILE 29 Cb -0.12 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.12 2hdm s ILE 29 CO -0.04 0.36 0.10 0.42 0.00 0.00 0.00 174.94 175.78 2hdm s THR 30 N 1.17 4.58 -0.08 2.92 -4.23 -0.31 -4.98 115.64 114.71 2hdm s THR 30 Ca 0.05 -0.08 0.03 0.00 -1.18 0.00 0.00 61.69 60.52 2hdm s THR 30 Cb -0.14 -3.15 -0.01 0.00 1.34 0.00 0.00 72.50 70.53 2hdm s THR 30 CO 0.04 0.32 -0.19 -1.61 -0.54 0.00 0.00 174.62 172.64 2hdm s GLU 31 N 1.58 2.86 0.00 3.99 2.02 -1.26 -1.73 118.70 126.15 2hdm s GLU 31 Ca 0.06 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.26 2hdm s GLU 31 Cb -0.15 -2.37 0.00 0.00 0.10 0.00 0.00 34.13 31.71 2hdm s GLU 31 CO 0.05 0.36 0.00 0.41 0.02 0.00 0.00 175.26 176.10 2hdm n GLY 32 N 3.06 1.74 3.22 -1.39 0.00 -1.26 -4.97 105.19 105.59 2hdm n GLY 32 Ca -0.18 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 2hdm n GLY 32 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2hdm s SER 33 N -2.86 5.76 -0.24 1.61 0.15 -1.26 -4.70 113.70 112.16 2hdm s SER 33 Ca 0.00 -1.90 -0.02 0.00 0.70 0.00 0.00 55.95 54.73 2hdm s SER 33 Cb 0.00 -2.04 0.01 0.00 -1.71 0.00 0.00 66.02 62.28 2hdm s SER 33 CO 0.00 -0.71 0.04 -0.11 1.20 0.00 0.00 173.24 173.66 2hdm n LEU 34 N 4.95 -7.05 -4.64 3.45 -0.00 -1.26 -4.77 117.00 107.68 2hdm n LEU 34 Ca -0.09 1.44 -0.43 0.00 -0.00 0.00 0.00 56.01 56.93 2hdm n LEU 34 Cb 0.41 -3.06 -0.02 0.00 -0.00 0.00 0.00 43.42 40.74 2hdm n LEU 34 CO 0.44 -3.13 1.33 -0.60 -0.00 0.00 0.00 177.39 175.44 2hdm s ARG 35 N -1.35 3.88 0.04 1.96 3.52 -1.25 -4.69 118.95 121.07 2hdm s ARG 35 Ca -0.05 1.71 0.01 0.00 -0.13 0.00 0.00 55.73 57.27 2hdm s ARG 35 Cb 0.00 -4.00 -0.03 0.00 -1.56 0.00 0.00 34.95 29.37 2hdm s ARG 35 CO 0.66 -1.18 -0.05 0.00 -0.81 0.00 0.00 175.30 173.91 2hdm s ALA 36 N 4.88 0.43 -0.35 6.12 0.00 -0.71 -4.59 121.76 127.53 2hdm s ALA 36 Ca 0.70 -0.78 -0.13 0.00 0.00 0.00 0.00 51.96 51.75 2hdm s ALA 36 Cb -0.25 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 2hdm s ALA 36 CO 0.28 -0.12 0.24 0.08 0.00 0.00 0.00 175.76 176.24 2hdm s VAL 37 N -1.79 5.16 -0.28 0.00 1.01 0.05 -1.17 120.40 123.38 2hdm s VAL 37 Ca -0.09 -0.37 -0.17 0.00 0.00 0.00 0.00 61.98 61.35 2hdm s VAL 37 Cb -0.07 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 2hdm s VAL 37 CO -0.01 -0.08 0.49 -0.63 0.00 0.00 0.00 175.10 174.87 2hdm s ILE 38 N 1.69 5.07 -0.23 2.22 1.01 0.16 0.12 121.20 131.25 2hdm s ILE 38 Ca 0.05 0.73 -0.07 0.00 0.00 0.00 0.00 60.65 61.37 2hdm s ILE 38 Cb -0.18 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 2hdm s ILE 38 CO 0.10 0.04 0.05 -0.36 0.00 0.00 0.00 174.94 174.77 2hdm s PHE 39 N 2.29 3.10 -0.20 3.97 0.08 1.00 -0.41 117.98 127.81 2hdm s PHE 39 Ca 0.20 -0.33 -0.14 0.00 0.12 0.00 0.00 56.93 56.78 2hdm s PHE 39 Cb -0.16 -2.18 -0.04 0.00 -0.57 0.00 0.00 43.02 40.07 2hdm s PHE 39 CO 0.10 -0.23 0.31 0.42 -0.10 0.00 0.00 175.22 175.72 2hdm s ILE 40 N 1.25 5.27 0.56 0.64 -1.09 -0.05 -0.26 121.20 127.52 2hdm s ILE 40 Ca 0.04 0.54 -0.10 0.00 -2.23 0.00 0.00 60.65 58.91 2hdm s ILE 40 Cb -0.15 -3.65 -0.04 0.00 -1.58 0.00 0.00 42.46 37.05 2hdm s ILE 40 CO 0.03 0.32 0.94 0.28 -1.23 0.00 0.00 174.94 175.28 2hdm s THR 41 N 0.97 4.76 -1.08 2.92 -1.32 -0.64 -0.57 115.64 120.68 2hdm s THR 41 Ca 0.16 0.69 0.13 0.00 -1.21 0.00 0.00 61.69 61.46 2hdm s THR 41 Cb -0.14 -3.85 0.13 0.00 -1.51 0.00 0.00 72.50 67.13 2hdm s THR 41 CO 0.06 -1.00 1.40 0.29 -2.21 0.00 0.00 174.62 173.16 2hdm n LYS 42 N -2.44 0.03 0.18 7.08 5.02 -0.35 -0.56 118.16 127.12 2hdm n LYS 42 Ca 0.04 0.26 0.13 0.00 -2.02 0.00 0.00 58.31 56.73 2hdm n LYS 42 Cb 0.54 -1.50 0.43 0.00 -0.02 0.00 0.00 35.03 34.48 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 1.12 -1.92 -3.47 114.38 112.08 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 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.16 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 0.66 0.84 3.94 2.80 0.00 0.27 -5.08 105.19 108.63 2hdm n GLY 44 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.26 0.99 1.43 -1.25 -4.92 118.68 119.01 2hdm s LEU 45 Ca 0.00 0.19 -0.15 0.00 -1.03 0.00 0.00 54.13 53.14 2hdm s LEU 45 Cb 0.00 -2.92 -0.04 0.00 0.03 0.00 0.00 46.19 43.27 2hdm s LEU 45 CO 0.00 0.07 0.37 -0.54 0.23 0.00 0.00 176.35 176.48 2hdm s LYS 46 N -3.11 4.03 0.03 1.70 1.02 -1.26 -1.62 119.74 120.53 2hdm s LYS 46 Ca 0.35 0.05 0.05 0.00 0.02 0.00 0.00 55.97 56.43 2hdm s LYS 46 Cb -0.11 -3.64 -0.04 0.00 -0.52 0.00 0.00 37.83 33.52 2hdm s LYS 46 CO 0.28 -0.25 -0.09 0.08 -0.92 0.00 0.00 175.35 174.46 2hdm s VAL 47 N 1.98 3.48 -0.13 3.17 1.01 0.64 -4.99 120.40 125.56 2hdm s VAL 47 Ca 0.15 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.20 2hdm s VAL 47 Cb -0.16 -2.54 0.01 0.00 0.00 0.00 0.00 36.38 33.69 2hdm s VAL 47 CO 0.10 0.31 -0.19 0.00 0.00 0.00 0.00 175.10 175.31 2hdm s ALA 49 N 0.89 2.11 -0.09 0.00 0.00 0.12 -0.20 121.76 124.59 2hdm s ALA 49 Ca -0.07 -1.42 -0.30 0.00 0.00 0.00 0.00 51.96 50.18 2hdm s ALA 49 Cb -0.15 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 2hdm s ALA 49 CO -0.02 0.39 1.19 0.34 0.00 0.00 0.00 175.76 177.66 2hdm s ASP 50 N -2.24 7.04 0.23 0.00 -1.08 -1.26 -0.77 116.67 118.60 2hdm s ASP 50 Ca 0.13 1.75 0.20 0.00 -0.52 0.00 0.00 52.55 54.11 2hdm s ASP 50 Cb -0.09 -2.55 0.93 0.00 -1.46 0.00 0.00 42.92 39.75 2hdm s ASP 50 CO 0.06 -0.62 1.61 -0.81 0.52 0.00 0.00 175.17 175.94 2hdm n PRO 51 N 5.54 0.14 0.01 4.34 -0.04 -1.26 -1.79 135.00 141.93 2hdm n PRO 51 Ca 0.11 0.49 0.12 0.00 -0.04 0.00 0.00 63.50 64.18 2hdm n PRO 51 Cb 0.46 -1.84 0.17 0.00 -0.04 0.00 0.00 33.50 32.26 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 -2.12 0.06 -2.14 0.54 1.13 -1.26 -4.56 117.38 109.03 2hdm n GLN 52 Ca 0.01 0.01 -0.42 0.00 -1.94 0.00 0.00 57.00 54.66 2hdm n GLN 52 Cb 0.14 -1.53 -0.03 0.00 0.11 0.00 0.00 30.24 28.93 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 -3.04 3.59 0.36 -1.58 0.00 -0.74 -4.91 121.76 115.44 2hdm s ALA 53 Ca 0.09 1.17 0.03 0.00 0.00 0.00 0.00 51.96 53.25 2hdm s ALA 53 Cb 0.17 -3.53 0.67 0.00 0.00 0.00 0.00 23.12 20.43 2hdm s ALA 53 CO 0.73 -0.62 2.02 1.15 0.00 0.00 0.00 175.76 179.04 2hdm h THR 54 N 3.97 1.15 0.00 0.00 2.02 -1.89 -0.74 112.91 117.42 2hdm h THR 54 Ca -0.43 -0.28 -0.13 0.00 0.77 0.00 0.00 66.41 66.34 2hdm h THR 54 Cb 1.21 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 2hdm h THR 54 CO 0.83 0.15 -0.61 4.11 0.37 0.00 0.00 175.52 180.37 2hdm h TRP 55 N 0.81 0.00 -0.06 3.16 5.08 -1.95 -0.18 115.95 122.81 2hdm h TRP 55 Ca 0.22 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.17 2hdm h TRP 55 Cb -0.09 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.07 2hdm h TRP 55 CO -0.00 0.61 -0.03 0.28 -1.28 0.00 0.00 178.44 178.02 2hdm h VAL 56 N 0.00 1.32 -0.85 0.12 2.07 -1.56 -1.11 116.25 116.24 2hdm h VAL 56 Ca -0.01 -1.02 0.06 0.00 0.82 0.00 0.00 66.70 66.55 2hdm h VAL 56 Cb 1.16 1.87 -0.05 0.00 -1.52 0.00 0.00 31.29 32.75 2hdm h VAL 56 CO 0.08 0.28 0.55 0.03 0.02 0.00 0.00 177.57 178.53 2hdm h ARG 57 N -0.24 0.91 -0.37 1.57 3.08 -0.94 0.54 114.38 118.93 2hdm h ARG 57 Ca 0.01 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 2hdm h ARG 57 Cb 0.46 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 2hdm h ARG 57 CO 0.01 0.60 0.22 0.22 -1.07 0.00 0.00 179.97 179.95 2hdm h ASP 58 N 0.94 0.45 0.35 7.04 3.58 -0.78 -2.41 116.42 125.58 2hdm h ASP 58 Ca 0.36 -0.06 -0.32 0.00 0.42 0.00 0.00 57.03 57.43 2hdm h ASP 58 Cb 0.22 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.12 2hdm h ASP 58 CO -0.13 0.38 -1.80 0.00 -2.88 0.00 0.00 179.24 174.80 2hdm h VAL 60 N 0.03 0.66 0.00 0.00 3.04 -0.05 -1.67 116.25 118.26 2hdm h VAL 60 Ca -0.33 -0.37 -0.30 0.00 -1.01 0.00 0.00 66.70 64.69 2hdm h VAL 60 Cb 2.02 1.23 -0.06 0.00 -2.01 0.00 0.00 31.29 32.47 2hdm h VAL 60 CO 0.09 0.09 -2.24 0.54 -1.01 0.00 0.00 177.57 175.04 2hdm n ARG 61 N -3.85 0.68 0.01 4.17 1.74 -0.91 -3.75 116.66 114.76 2hdm n ARG 61 Ca -0.02 -0.01 -0.11 0.00 -0.77 0.00 0.00 57.85 56.94 2hdm n ARG 61 Cb 0.19 -1.55 -0.06 0.00 -1.02 0.00 0.00 32.46 30.02 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 0.02 -0.75 0.55 0.87 0.10 0.24 113.55 114.58 2hdm h SER 62 Ca -0.43 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.11 2hdm h SER 62 Cb 2.00 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 63.94 2hdm h SER 62 CO 0.03 0.02 0.35 0.24 -0.53 0.00 0.00 176.83 176.94 2hdm h MET 63 N 0.05 1.09 -0.57 2.24 2.86 -1.52 0.13 114.93 119.21 2hdm h MET 63 Ca 0.03 -0.17 0.02 0.00 -2.06 0.00 0.00 59.70 57.52 2hdm h MET 63 Cb 0.02 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.45 2hdm h MET 63 CO -0.03 0.86 0.36 0.22 1.06 0.00 0.00 176.91 179.38 2hdm h ASP 64 N 1.06 0.60 -0.36 1.22 3.58 -1.58 0.05 116.42 120.99 2hdm h ASP 64 Ca 0.26 -0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.58 2hdm h ASP 64 Cb 0.14 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 2hdm h ASP 64 CO -0.03 0.43 -0.21 -0.09 -2.88 0.00 0.00 179.24 176.46 2hdm h ARG 65 N 0.73 0.85 0.27 0.28 2.43 0.11 -2.76 114.38 116.29 2hdm h ARG 65 Ca 0.22 -0.35 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 2hdm h ARG 65 Cb -0.02 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 2hdm h ARG 65 CO -0.08 0.98 -0.13 0.87 -1.51 0.00 0.00 179.97 180.10 2hdm h LYS 66 N 0.74 -0.35 -1.40 0.20 1.57 -0.42 -3.43 116.57 113.47 2hdm h LYS 66 Ca 0.10 0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.76 2hdm h LYS 66 Cb 0.74 0.08 -0.25 0.00 0.08 0.00 0.00 32.23 32.89 2hdm h LYS 66 CO 0.06 -0.01 -0.51 -1.12 -0.57 0.00 0.00 179.45 177.30 2hdm s SER 67 N -5.21 -0.43 0.09 0.86 0.01 -0.03 -4.98 113.70 104.02 2hdm s SER 67 Ca -0.12 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.45 2hdm s SER 67 Cb 0.01 1.43 0.00 0.00 0.21 0.00 0.00 66.02 67.67 2hdm s SER 67 CO 0.46 -0.26 0.00 -3.20 0.41 0.00 0.00 173.24 170.64 2hdm n ASN 68 N 4.81 -0.79 -4.77 2.44 2.85 -1.06 -4.66 115.26 114.07 2hdm n ASN 68 Ca 0.07 0.32 -0.23 0.00 -0.11 0.00 0.00 54.58 54.63 2hdm n ASN 68 Cb 0.52 0.98 -0.06 0.00 1.24 0.00 0.00 39.78 42.46 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 -2.00 2.63 -0.25 -0.44 -1.32 -1.09 -5.08 115.64 108.08 2hdm s THR 69 Ca 0.00 -1.62 -0.24 0.00 -1.21 0.00 0.00 61.69 58.62 2hdm s THR 69 Cb 0.00 -2.99 -0.01 0.00 -1.51 0.00 0.00 72.50 67.99 2hdm s THR 69 CO 0.00 -0.06 0.80 -0.13 -2.21 0.00 0.00 174.62 173.02 2hdm s ARG 70 N -3.93 4.14 0.12 7.08 0.52 -1.26 -4.90 118.95 120.73 2hdm s ARG 70 Ca 0.41 0.85 -0.08 0.00 -0.52 0.00 0.00 55.73 56.39 2hdm s ARG 70 Cb 0.00 -3.66 0.03 0.00 0.52 0.00 0.00 34.95 31.85 2hdm s ARG 70 CO 0.24 -0.53 0.41 0.27 0.02 0.00 0.00 175.30 175.71 2hdm n ASN 71 N 6.01 -0.89 -4.56 0.23 2.04 -1.26 -5.08 115.26 111.75 2hdm n ASN 71 Ca 0.05 -1.54 -0.38 0.00 -0.44 0.00 0.00 54.58 52.26 2hdm n ASN 71 Cb 0.48 1.47 -0.03 0.00 -2.53 0.00 0.00 39.78 39.17 2hdm n ASN 71 CO 0.00 0.00 0.00 0.20 -0.44 0.00 0.00 177.26 177.02 2hdm s ASN 72 N -2.02 5.00 0.06 0.53 -0.87 -1.26 -4.76 114.94 111.62 2hdm s ASN 72 Ca 0.09 0.75 -0.06 0.00 -1.57 0.00 0.00 52.86 52.07 2hdm s ASN 72 Cb -0.02 -2.52 -0.29 0.00 -0.02 0.00 0.00 41.25 38.40 2hdm s ASN 72 CO 0.04 -2.51 1.10 -0.03 -2.57 0.00 0.00 177.10 173.12 2hdm h MET 73 N 16.61 0.31 -5.71 -0.60 4.05 -1.94 -3.44 114.93 124.21 2hdm h MET 73 Ca -0.26 -0.52 -0.67 0.00 -0.28 0.00 0.00 59.70 57.97 2hdm h MET 73 Cb 1.21 0.19 -0.10 0.00 -0.80 0.00 0.00 31.60 32.10 2hdm h MET 73 CO 1.17 1.24 -0.53 0.96 0.23 0.00 0.00 176.91 179.99 2hdm s ILE 74 N -2.64 5.12 0.00 1.77 -4.36 -1.26 -5.03 121.20 114.79 2hdm s ILE 74 Ca -0.05 0.06 0.00 0.00 -0.26 0.00 0.00 60.65 60.40 2hdm s ILE 74 Cb 0.07 -3.22 0.00 0.00 1.25 0.00 0.00 42.46 40.56 2hdm s ILE 74 CO 0.89 0.60 0.14 1.67 0.24 0.00 0.00 174.94 178.48