#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 6.22 -0.30 1.61 0.01 -1.26 -5.01 113.70 114.97 2hdm s SER 3 Ca 0.00 -0.93 -0.00 0.00 1.31 0.00 0.00 55.95 56.33 2hdm s SER 3 Cb 0.00 -2.29 0.09 0.00 0.21 0.00 0.00 66.02 64.03 2hdm s SER 3 CO 0.00 -0.89 0.07 -0.70 0.41 0.00 0.00 173.24 172.13 2hdm s GLU 4 N 2.60 0.93 -0.36 12.44 2.12 -1.26 -4.98 118.70 130.19 2hdm s GLU 4 Ca 0.15 -1.14 0.04 0.00 0.36 0.00 0.00 54.97 54.38 2hdm s GLU 4 Cb -0.19 -2.26 0.16 0.00 0.26 0.00 0.00 34.13 32.09 2hdm s GLU 4 CO 0.12 -0.91 0.42 0.14 -0.54 0.00 0.00 175.26 174.49 2hdm s VAL 5 N 1.50 -0.50 -0.86 3.70 -7.23 -1.26 -5.11 120.40 110.64 2hdm s VAL 5 Ca 0.07 -0.69 -0.19 0.00 -1.81 0.00 0.00 61.98 59.37 2hdm s VAL 5 Cb -0.18 -0.62 0.13 0.00 0.56 0.00 0.00 36.38 36.27 2hdm s VAL 5 CO -0.19 -0.43 1.05 -0.55 -0.31 0.00 0.00 175.10 174.67 2hdm s SER 6 N 1.72 6.54 -0.10 4.85 0.15 -1.26 -4.77 113.70 120.82 2hdm s SER 6 Ca 0.15 -1.90 -0.33 0.00 0.70 0.00 0.00 55.95 54.57 2hdm s SER 6 Cb -0.13 -2.38 0.13 0.00 -1.71 0.00 0.00 66.02 61.94 2hdm s SER 6 CO -0.09 -1.08 1.31 -0.62 1.20 0.00 0.00 173.24 173.95 2hdm s ASP 7 N 3.54 -0.06 0.98 5.45 2.15 -1.26 -5.14 116.67 122.34 2hdm s ASP 7 Ca 0.29 -0.06 -0.12 0.00 0.43 0.00 0.00 52.55 53.08 2hdm s ASP 7 Cb -0.08 0.11 0.18 0.00 -0.30 0.00 0.00 42.92 42.83 2hdm s ASP 7 CO -0.06 -0.20 1.09 -1.59 -0.17 0.00 0.00 175.17 174.25 2hdm s LYS 8 N -2.30 0.55 -1.45 4.34 -2.85 -1.26 -3.39 119.74 113.38 2hdm s LYS 8 Ca 0.13 0.54 -0.09 0.00 -1.00 0.00 0.00 55.97 55.54 2hdm s LYS 8 Cb 0.03 -1.75 0.05 0.00 -2.06 0.00 0.00 37.83 34.11 2hdm s LYS 8 CO -0.04 -2.66 0.74 0.54 0.10 0.00 0.00 175.35 174.03 2hdm n ARG 9 N -4.13 -4.92 0.00 1.78 1.74 -1.26 -4.82 116.66 105.05 2hdm n ARG 9 Ca 0.05 0.67 0.02 0.00 -0.77 0.00 0.00 57.85 57.83 2hdm n ARG 9 Cb 0.57 -5.52 0.09 0.00 -1.02 0.00 0.00 32.46 26.58 2hdm n ARG 9 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 2hdm n THR 10 N -4.44 1.44 -3.72 0.55 5.66 -1.22 -4.42 114.28 108.13 2hdm n THR 10 Ca -0.02 0.36 -0.14 0.00 -3.05 0.00 0.00 64.05 61.20 2hdm n THR 10 Cb 0.56 -1.29 -0.09 0.00 -1.55 0.00 0.00 70.33 67.96 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 2.28 0.00 -3.77 0.00 0.24 -1.26 -5.00 118.33 110.82 2hdm n VAL 12 Ca -0.16 -0.15 -0.35 0.00 -2.04 0.00 0.00 64.34 61.64 2hdm n VAL 12 Cb 0.57 1.14 -0.08 0.00 -1.47 0.00 0.00 33.84 34.00 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 -0.23 6.14 0.02 -1.34 0.01 -1.26 -5.01 113.70 112.02 2hdm s SER 13 Ca 0.00 0.22 -0.08 0.00 1.31 0.00 0.00 55.95 57.40 2hdm s SER 13 Cb 0.00 -2.07 -0.05 0.00 0.21 0.00 0.00 66.02 64.11 2hdm s SER 13 CO 0.00 0.19 0.30 -0.76 0.41 0.00 0.00 173.24 173.38 2hdm s LEU 14 N 0.31 4.37 0.53 2.44 1.43 -1.26 -4.63 118.68 121.87 2hdm s LEU 14 Ca 0.08 0.63 -0.07 0.00 -1.03 0.00 0.00 54.13 53.74 2hdm s LEU 14 Cb -0.11 -2.74 -0.03 0.00 0.03 0.00 0.00 46.19 43.33 2hdm s LEU 14 CO -0.02 0.24 0.87 0.28 0.23 0.00 0.00 176.35 177.95 2hdm s THR 15 N -1.31 4.75 -0.84 5.49 -1.32 -0.38 -4.98 115.64 117.04 2hdm s THR 15 Ca 0.29 0.39 0.09 0.00 -1.21 0.00 0.00 61.69 61.24 2hdm s THR 15 Cb -0.13 -3.83 0.19 0.00 -1.51 0.00 0.00 72.50 67.21 2hdm s THR 15 CO 0.16 -0.91 1.08 0.35 -2.21 0.00 0.00 174.62 173.09 2hdm n THR 16 N -2.44 0.70 -3.98 5.08 -2.24 -1.26 -4.67 114.28 105.48 2hdm n THR 16 Ca 0.02 -0.85 -0.23 0.00 -2.27 0.00 0.00 64.05 60.72 2hdm n THR 16 Cb 0.55 0.70 -0.03 0.00 -2.10 0.00 0.00 70.33 69.45 2hdm n THR 16 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2hdm s GLN 17 N -0.92 3.37 0.48 -0.78 -0.21 -1.26 -5.12 119.66 115.22 2hdm s GLN 17 Ca 0.16 -0.72 0.07 0.00 0.02 0.00 0.00 55.36 54.89 2hdm s GLN 17 Cb 0.09 -2.88 0.02 0.00 1.00 0.00 0.00 33.01 31.23 2hdm s GLN 17 CO 0.12 0.47 0.47 1.03 -2.12 0.00 0.00 175.29 175.26 2hdm s ARG 18 N -3.61 2.42 0.19 2.91 0.52 -1.26 -5.06 118.95 115.07 2hdm s ARG 18 Ca 0.34 -1.69 0.01 0.00 -0.52 0.00 0.00 55.73 53.87 2hdm s ARG 18 Cb -0.10 -2.36 -0.05 0.00 0.52 0.00 0.00 34.95 32.96 2hdm s ARG 18 CO 0.28 -0.45 0.06 -0.48 0.02 0.00 0.00 175.30 174.73 2hdm s LEU 19 N -4.29 1.78 0.06 2.53 0.05 -1.26 -5.12 118.68 112.43 2hdm s LEU 19 Ca 0.47 -1.27 -0.31 0.00 0.05 0.00 0.00 54.13 53.07 2hdm s LEU 19 Cb -0.04 0.09 -0.06 0.00 -2.05 0.00 0.00 46.19 44.14 2hdm s LEU 19 CO 0.28 -0.68 1.27 -2.84 -0.55 0.00 0.00 176.35 173.83 2hdm s PRO 20 N -4.01 4.38 0.54 1.48 0.02 -1.26 -4.91 135.00 131.24 2hdm s PRO 20 Ca 0.30 1.86 0.31 0.00 0.02 0.00 0.00 61.00 63.49 2hdm s PRO 20 Cb 0.07 -3.37 1.53 0.00 0.02 0.00 0.00 34.50 32.75 2hdm s PRO 20 CO 0.07 -0.36 2.08 0.00 -0.33 0.00 0.00 177.00 178.47 2hdm n SER 22 N -3.44 0.21 -0.28 0.00 2.88 -1.26 -2.22 113.62 109.51 2hdm n SER 22 Ca -0.01 0.54 0.14 0.00 -1.33 0.00 0.00 58.87 58.21 2hdm n SER 22 Cb 0.24 -0.59 0.55 0.00 -0.75 0.00 0.00 64.21 63.66 2hdm n SER 22 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2hdm n ARG 23 N -1.72 1.15 -2.45 -1.46 1.85 -0.32 -4.84 116.66 108.87 2hdm n ARG 23 Ca 0.04 -0.57 -0.41 0.00 -1.00 0.00 0.00 57.85 55.91 2hdm n ARG 23 Cb 0.25 -1.49 -0.04 0.00 -1.05 0.00 0.00 32.46 30.13 2hdm n ARG 23 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 2hdm s ILE 24 N -2.24 3.83 -0.16 8.89 -1.09 -0.94 -2.54 121.20 126.95 2hdm s ILE 24 Ca 0.33 1.49 -0.10 0.00 -2.23 0.00 0.00 60.65 60.14 2hdm s ILE 24 Cb 0.20 -3.95 -0.07 0.00 -1.58 0.00 0.00 42.46 37.06 2hdm s ILE 24 CO 0.42 0.21 -0.24 1.17 -1.23 0.00 0.00 174.94 175.27 2hdm n LYS 25 N 2.85 0.38 -3.80 2.79 0.00 -0.13 -4.78 118.16 115.48 2hdm n LYS 25 Ca 0.05 0.17 -0.09 0.00 0.00 0.00 0.00 58.31 58.43 2hdm n LYS 25 Cb 0.46 -1.15 -0.04 0.00 0.00 0.00 0.00 35.03 34.30 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 -2.40 0.02 0.10 3.15 -1.32 -1.07 -5.01 115.64 109.11 2hdm s THR 26 Ca -0.25 -0.92 0.03 0.00 -1.21 0.00 0.00 61.69 59.35 2hdm s THR 26 Cb 0.08 -1.72 -0.04 0.00 -1.51 0.00 0.00 72.50 69.32 2hdm s THR 26 CO 0.32 -0.10 -0.08 -0.72 -2.21 0.00 0.00 174.62 171.83 2hdm s TYR 27 N -3.90 0.96 -0.04 9.09 -0.85 -1.26 -0.21 117.35 121.14 2hdm s TYR 27 Ca 0.12 -0.74 -0.02 0.00 -0.52 0.00 0.00 57.07 55.90 2hdm s TYR 27 Cb -0.01 -0.54 0.03 0.00 0.38 0.00 0.00 41.96 41.82 2hdm s TYR 27 CO -0.00 -0.06 0.06 0.99 -1.52 0.00 0.00 175.55 175.02 2hdm s THR 28 N -2.85 -0.11 -0.21 -3.49 2.01 0.84 -4.95 115.64 106.89 2hdm s THR 28 Ca 0.07 0.41 -0.16 0.00 0.31 0.00 0.00 61.69 62.33 2hdm s THR 28 Cb -0.00 -0.15 -0.04 0.00 0.01 0.00 0.00 72.50 72.32 2hdm s THR 28 CO -0.02 0.17 0.39 -0.63 -0.69 0.00 0.00 174.62 173.85 2hdm s ILE 29 N 2.09 5.20 0.02 1.82 1.01 -1.26 0.19 121.20 130.27 2hdm s ILE 29 Ca 0.04 0.68 -0.00 0.00 0.00 0.00 0.00 60.65 61.37 2hdm s ILE 29 Cb -0.12 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 2hdm s ILE 29 CO -0.03 0.25 0.13 0.42 0.00 0.00 0.00 174.94 175.70 2hdm s THR 30 N 1.36 4.97 0.27 2.92 -4.23 0.30 -4.93 115.64 116.29 2hdm s THR 30 Ca 0.18 -0.41 0.04 0.00 -1.18 0.00 0.00 61.69 60.33 2hdm s THR 30 Cb -0.15 -3.33 -0.06 0.00 1.34 0.00 0.00 72.50 70.31 2hdm s THR 30 CO 0.08 0.27 -0.00 -1.61 -0.54 0.00 0.00 174.62 172.82 2hdm s GLU 31 N -2.03 1.47 0.00 3.99 2.02 -1.26 -2.68 118.70 120.21 2hdm s GLU 31 Ca 0.27 -1.76 0.00 0.00 0.02 0.00 0.00 54.97 53.50 2hdm s GLU 31 Cb -0.12 -0.82 0.00 0.00 0.10 0.00 0.00 34.13 33.29 2hdm s GLU 31 CO 0.19 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.79 2hdm n GLY 32 N -0.53 1.29 0.33 -1.39 0.00 -1.26 -4.75 105.19 98.88 2hdm n GLY 32 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2hdm n GLY 32 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2hdm n SER 33 N 0.00 -0.34 -3.68 1.61 2.88 -1.26 -5.09 113.62 107.75 2hdm n SER 33 Ca 0.00 0.27 -0.10 0.00 -1.33 0.00 0.00 58.87 57.72 2hdm n SER 33 Cb 0.00 0.55 -0.10 0.00 -0.75 0.00 0.00 64.21 63.92 2hdm n SER 33 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2hdm s LEU 34 N -5.11 -0.32 -0.40 2.46 0.20 -1.26 -5.11 118.68 109.15 2hdm s LEU 34 Ca 0.00 1.08 -0.28 0.00 0.69 0.00 0.00 54.13 55.61 2hdm s LEU 34 Cb 0.00 1.67 -0.00 0.00 -0.43 0.00 0.00 46.19 47.42 2hdm s LEU 34 CO 0.00 -0.20 1.60 -0.13 -0.29 0.00 0.00 176.35 177.32 2hdm s ARG 35 N 1.37 3.41 0.03 1.98 3.00 -1.24 -4.37 118.95 123.13 2hdm s ARG 35 Ca -0.09 1.10 0.06 0.00 0.00 0.00 0.00 55.73 56.79 2hdm s ARG 35 Cb -0.07 -4.12 -0.02 0.00 0.00 0.00 0.00 34.95 30.74 2hdm s ARG 35 CO -0.14 -1.77 -0.16 0.00 0.00 0.00 0.00 175.30 173.23 2hdm s ALA 36 N 6.27 1.34 -0.36 2.13 0.00 -1.09 -4.43 121.76 125.63 2hdm s ALA 36 Ca 0.69 -0.87 -0.13 0.00 0.00 0.00 0.00 51.96 51.65 2hdm s ALA 36 Cb -0.17 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 2hdm s ALA 36 CO 0.32 0.28 0.25 0.08 0.00 0.00 0.00 175.76 176.69 2hdm s VAL 37 N -0.78 5.20 -0.39 0.00 1.01 0.32 -0.54 120.40 125.23 2hdm s VAL 37 Ca 0.04 -0.37 -0.16 0.00 0.00 0.00 0.00 61.98 61.49 2hdm s VAL 37 Cb -0.08 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.57 2hdm s VAL 37 CO 0.01 -0.09 0.38 -0.63 0.00 0.00 0.00 175.10 174.77 2hdm s ILE 38 N 1.70 5.15 -0.20 2.22 1.01 0.13 -0.10 121.20 131.11 2hdm s ILE 38 Ca 0.06 -0.27 -0.15 0.00 0.00 0.00 0.00 60.65 60.28 2hdm s ILE 38 Cb -0.18 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 2hdm s ILE 38 CO 0.10 -0.28 0.34 -0.36 0.00 0.00 0.00 174.94 174.74 2hdm s PHE 39 N 1.99 3.38 -0.21 3.97 0.08 0.15 -0.11 117.98 127.24 2hdm s PHE 39 Ca 0.10 0.55 -0.13 0.00 0.12 0.00 0.00 56.93 57.57 2hdm s PHE 39 Cb -0.17 -2.45 -0.05 0.00 -0.57 0.00 0.00 43.02 39.78 2hdm s PHE 39 CO 0.12 0.04 0.27 0.42 -0.10 0.00 0.00 175.22 175.98 2hdm s ILE 40 N 1.12 5.29 0.54 0.64 -1.09 0.71 0.64 121.20 129.05 2hdm s ILE 40 Ca 0.17 0.45 -0.05 0.00 -2.23 0.00 0.00 60.65 58.99 2hdm s ILE 40 Cb -0.14 -3.61 -0.00 0.00 -1.58 0.00 0.00 42.46 37.12 2hdm s ILE 40 CO 0.07 0.33 0.83 0.28 -1.23 0.00 0.00 174.94 175.21 2hdm s THR 41 N 0.97 4.03 -0.17 2.92 -1.32 -0.35 -0.96 115.64 120.76 2hdm s THR 41 Ca 0.14 -0.04 0.24 0.00 -1.21 0.00 0.00 61.69 60.82 2hdm s THR 41 Cb -0.14 -3.56 0.24 0.00 -1.51 0.00 0.00 72.50 67.54 2hdm s THR 41 CO 0.05 -0.54 1.73 0.11 -2.21 0.00 0.00 174.62 173.77 2hdm h LYS 42 N 0.03 0.00 0.00 7.08 1.57 -1.80 0.14 116.57 123.59 2hdm h LYS 42 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 2hdm h LYS 42 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2hdm h LYS 42 CO 0.60 0.00 0.00 -0.09 -0.57 0.00 0.00 179.45 179.39 2hdm h ARG 43 N 0.00 0.00 0.00 3.15 1.12 -1.92 -3.46 114.38 113.26 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 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.03 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 0.65 0.86 3.94 2.80 0.00 0.49 -5.09 105.19 108.84 2hdm n GLY 44 Ca 0.03 0.00 -0.26 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 4.32 -0.15 0.99 1.43 -1.25 -4.90 118.68 119.13 2hdm s LEU 45 Ca 0.00 0.22 -0.16 0.00 -1.03 0.00 0.00 54.13 53.15 2hdm s LEU 45 Cb 0.00 -2.96 -0.04 0.00 0.03 0.00 0.00 46.19 43.22 2hdm s LEU 45 CO 0.00 0.04 0.41 -0.54 0.23 0.00 0.00 176.35 176.48 2hdm s LYS 46 N -3.23 4.28 -0.02 1.70 1.02 -1.26 -1.22 119.74 121.01 2hdm s LYS 46 Ca 0.35 0.29 0.03 0.00 0.02 0.00 0.00 55.97 56.67 2hdm s LYS 46 Cb -0.11 -3.46 -0.03 0.00 -0.52 0.00 0.00 37.83 33.71 2hdm s LYS 46 CO 0.29 0.13 -0.10 0.08 -0.92 0.00 0.00 175.35 174.83 2hdm s VAL 47 N 0.74 3.40 -0.12 3.17 1.01 0.21 -4.97 120.40 123.85 2hdm s VAL 47 Ca 0.22 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.45 2hdm s VAL 47 Cb -0.14 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.82 2hdm s VAL 47 CO 0.08 0.47 -0.19 0.00 0.00 0.00 0.00 175.10 175.46 2hdm s ALA 49 N 0.83 0.98 -0.01 0.00 0.00 0.85 -1.25 121.76 123.16 2hdm s ALA 49 Ca -0.09 -0.98 -0.30 0.00 0.00 0.00 0.00 51.96 50.59 2hdm s ALA 49 Cb -0.16 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 2hdm s ALA 49 CO -0.00 0.06 1.03 0.34 0.00 0.00 0.00 175.76 177.19 2hdm s ASP 50 N -1.88 7.28 0.00 0.00 2.15 -1.26 -0.52 116.67 122.44 2hdm s ASP 50 Ca -0.02 1.71 0.14 0.00 0.43 0.00 0.00 52.55 54.80 2hdm s ASP 50 Cb -0.08 -2.57 0.59 0.00 -0.30 0.00 0.00 42.92 40.56 2hdm s ASP 50 CO 0.01 -0.35 1.43 -0.81 -0.17 0.00 0.00 175.17 175.28 2hdm n PRO 51 N 4.18 0.02 0.05 4.34 -0.04 -1.26 -1.94 135.00 140.34 2hdm n PRO 51 Ca 0.07 0.26 0.11 0.00 -0.04 0.00 0.00 63.50 63.91 2hdm n PRO 51 Cb 0.50 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.48 0.37 -2.11 0.54 1.13 -1.26 -4.68 117.38 109.88 2hdm n GLN 52 Ca 0.04 0.03 -0.41 0.00 -1.94 0.00 0.00 57.00 54.71 2hdm n GLN 52 Cb 0.16 -1.66 -0.03 0.00 0.11 0.00 0.00 30.24 28.82 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 -3.24 3.58 0.33 -1.58 0.00 -0.82 -4.92 121.76 115.11 2hdm s ALA 53 Ca 0.03 1.22 0.04 0.00 0.00 0.00 0.00 51.96 53.24 2hdm s ALA 53 Cb 0.13 -3.52 0.57 0.00 0.00 0.00 0.00 23.12 20.30 2hdm s ALA 53 CO 0.79 -0.64 1.86 1.15 0.00 0.00 0.00 175.76 178.91 2hdm h THR 54 N 3.65 1.20 0.00 0.00 2.02 -1.90 -0.13 112.91 117.75 2hdm h THR 54 Ca -0.45 -0.83 -0.11 0.00 0.77 0.00 0.00 66.41 65.78 2hdm h THR 54 Cb 1.22 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 68.57 2hdm h THR 54 CO 0.78 0.28 -0.54 4.11 0.37 0.00 0.00 175.52 180.52 2hdm h TRP 55 N 0.51 0.00 -0.09 3.16 5.08 -1.94 0.69 115.95 123.37 2hdm h TRP 55 Ca 0.11 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 60.02 2hdm h TRP 55 Cb 0.36 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.52 2hdm h TRP 55 CO 0.01 0.54 -0.18 0.28 -1.28 0.00 0.00 178.44 177.81 2hdm h VAL 56 N 0.00 1.40 -0.25 0.12 2.07 -1.67 -2.29 116.25 115.64 2hdm h VAL 56 Ca -0.01 -1.47 -0.00 0.00 0.82 0.00 0.00 66.70 66.04 2hdm h VAL 56 Cb 0.98 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.89 2hdm h VAL 56 CO 0.07 0.42 0.15 0.03 0.02 0.00 0.00 177.57 178.26 2hdm h ARG 57 N -0.19 0.33 -0.32 1.57 3.08 -0.74 0.60 114.38 118.71 2hdm h ARG 57 Ca 0.00 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2hdm h ARG 57 Cb 0.76 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 2hdm h ARG 57 CO 0.04 0.23 0.12 0.22 -1.07 0.00 0.00 179.97 179.51 2hdm h ASP 58 N 0.33 0.46 0.10 7.04 3.58 -0.70 -2.55 116.42 124.68 2hdm h ASP 58 Ca 0.09 -0.18 -0.21 0.00 0.42 0.00 0.00 57.03 57.15 2hdm h ASP 58 Cb -0.01 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 40.92 2hdm h ASP 58 CO -0.02 0.51 -1.02 0.00 -2.88 0.00 0.00 179.24 175.84 2hdm h VAL 60 N -0.49 0.79 0.00 0.00 3.04 0.05 0.53 116.25 120.17 2hdm h VAL 60 Ca -0.22 -0.43 -0.30 0.00 -1.01 0.00 0.00 66.70 64.75 2hdm h VAL 60 Cb 1.58 1.25 -0.05 0.00 -2.01 0.00 0.00 31.29 32.06 2hdm h VAL 60 CO 0.05 0.11 -2.00 0.54 -1.01 0.00 0.00 177.57 175.27 2hdm n ARG 61 N -3.98 0.66 -0.19 4.17 5.12 -0.96 -2.80 116.66 118.69 2hdm n ARG 61 Ca -0.02 0.12 -0.08 0.00 -1.93 0.00 0.00 57.85 55.94 2hdm n ARG 61 Cb 0.20 -1.66 0.02 0.00 -1.16 0.00 0.00 32.46 29.86 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 0.75 -0.07 0.55 0.02 -0.51 0.22 113.55 114.51 2hdm h SER 62 Ca -0.37 -0.19 -0.08 0.00 -0.84 0.00 0.00 61.79 60.31 2hdm h SER 62 Cb 2.01 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 64.34 2hdm h SER 62 CO 0.05 0.73 -0.20 0.24 -1.14 0.00 0.00 176.83 176.52 2hdm h MET 63 N 0.72 0.46 -0.42 3.45 2.86 -1.05 0.22 114.93 121.18 2hdm h MET 63 Ca 0.17 -0.15 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 2hdm h MET 63 Cb 0.23 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 2hdm h MET 63 CO -0.01 0.64 0.06 0.22 1.06 0.00 0.00 176.91 178.88 2hdm h ASP 64 N 0.41 0.67 -0.16 1.22 1.82 -1.31 -2.64 116.42 116.43 2hdm h ASP 64 Ca 0.07 -0.26 -0.07 0.00 -0.39 0.00 0.00 57.03 56.37 2hdm h ASP 64 Cb 0.58 -0.18 -0.00 0.00 0.68 0.00 0.00 39.33 40.41 2hdm h ASP 64 CO 0.04 0.76 -0.18 -0.09 -1.61 0.00 0.00 179.24 178.16 2hdm h ARG 65 N 0.55 0.41 0.00 0.28 2.43 -0.10 -3.13 114.38 114.82 2hdm h ARG 65 Ca 0.13 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2hdm h ARG 65 Cb 0.38 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 2hdm h ARG 65 CO 0.01 0.79 0.00 0.36 -1.51 0.00 0.00 179.97 179.62 2hdm n LYS 66 N -4.50 0.06 0.13 0.20 2.85 0.75 -1.27 118.16 116.37 2hdm n LYS 66 Ca -0.06 0.22 0.13 0.00 -1.05 0.00 0.00 58.31 57.55 2hdm n LYS 66 Cb 0.39 -1.60 0.28 0.00 -0.65 0.00 0.00 35.03 33.46 2hdm n LYS 66 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2hdm h SER 67 N 0.00 0.00 -3.57 -5.58 0.87 -1.41 -3.41 113.55 100.45 2hdm h SER 67 Ca 0.00 -0.03 -0.69 0.00 -1.23 0.00 0.00 61.79 59.83 2hdm h SER 67 Cb 0.37 0.00 -0.33 0.00 -0.44 0.00 0.00 62.40 62.00 2hdm h SER 67 CO 0.00 0.02 -0.59 0.21 -0.53 0.00 0.00 176.83 175.94 2hdm s ASN 68 N -4.96 5.19 0.30 6.23 2.47 -0.40 -4.98 114.94 118.80 2hdm s ASN 68 Ca 0.08 -1.73 -0.11 0.00 0.42 0.00 0.00 52.86 51.52 2hdm s ASN 68 Cb 0.10 -1.81 0.05 0.00 -1.45 0.00 0.00 41.25 38.14 2hdm s ASN 68 CO 0.65 -0.45 0.61 1.07 -3.72 0.00 0.00 177.10 175.25 2hdm n THR 69 N 4.64 0.00 -0.00 -5.21 5.66 -1.26 -4.95 114.28 113.16 2hdm n THR 69 Ca -0.06 -0.75 -0.10 0.00 -3.05 0.00 0.00 64.05 60.08 2hdm n THR 69 Cb 0.42 0.75 -0.14 0.00 -1.55 0.00 0.00 70.33 69.82 2hdm n THR 69 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 2hdm h ARG 70 N 0.00 0.05 -3.31 1.09 3.08 -1.97 -3.42 114.38 109.90 2hdm h ARG 70 Ca -0.26 -0.08 -0.60 0.00 0.07 0.00 0.00 59.98 59.11 2hdm h ARG 70 Cb 0.94 0.03 -0.40 0.00 0.08 0.00 0.00 29.97 30.63 2hdm h ARG 70 CO 0.32 0.68 -0.75 0.54 -1.07 0.00 0.00 179.97 179.69 2hdm s ASN 71 N -6.33 3.85 -0.85 7.04 2.20 -1.26 -5.06 114.94 114.53 2hdm s ASN 71 Ca -0.06 -2.15 -0.24 0.00 -0.94 0.00 0.00 52.86 49.47 2hdm s ASN 71 Cb 0.08 -0.96 0.06 0.00 -2.00 0.00 0.00 41.25 38.42 2hdm s ASN 71 CO 0.82 -0.34 1.27 0.21 -2.94 0.00 0.00 177.10 176.12 2hdm s ASN 72 N 0.97 6.35 -0.30 3.54 2.47 -1.26 -4.97 114.94 121.74 2hdm s ASN 72 Ca 0.14 -1.11 -0.11 0.00 0.42 0.00 0.00 52.86 52.20 2hdm s ASN 72 Cb -0.21 -2.52 -0.04 0.00 -1.45 0.00 0.00 41.25 37.04 2hdm s ASN 72 CO -0.11 -1.55 0.20 -0.04 -3.72 0.00 0.00 177.10 171.87 2hdm s MET 73 N 4.78 3.75 -0.47 0.43 -1.94 -1.26 -5.03 119.30 119.57 2hdm s MET 73 Ca 0.36 -0.45 -0.17 0.00 -1.71 0.00 0.00 55.69 53.72 2hdm s MET 73 Cb -0.06 -3.68 0.06 0.00 2.01 0.00 0.00 34.83 33.16 2hdm s MET 73 CO 0.02 -0.28 0.46 0.42 -0.01 0.00 0.00 175.02 175.63 2hdm s ILE 74 N 1.73 5.12 0.00 2.53 1.01 -1.26 -5.19 121.20 125.14 2hdm s ILE 74 Ca 0.07 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.94 2hdm s ILE 74 Cb -0.16 -4.14 0.00 0.00 0.01 0.00 0.00 42.46 38.16 2hdm s ILE 74 CO 0.10 -0.59 0.20 1.67 0.00 0.00 0.00 174.94 176.31