#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 6.27 -0.44 1.61 0.01 -1.26 -4.97 113.70 114.91 2hdm s SER 3 Ca 0.00 -1.13 -0.28 0.00 1.31 0.00 0.00 55.95 55.84 2hdm s SER 3 Cb 0.00 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.79 2hdm s SER 3 CO 0.00 -1.43 1.49 -1.61 0.41 0.00 0.00 173.24 172.10 2hdm s GLU 4 N 4.09 3.43 0.00 12.44 0.41 -1.26 -4.81 118.70 133.00 2hdm s GLU 4 Ca 0.27 0.89 0.24 0.00 -0.41 0.00 0.00 54.97 55.96 2hdm s GLU 4 Cb -0.13 -4.09 0.34 0.00 -1.78 0.00 0.00 34.13 28.47 2hdm s GLU 4 CO 0.06 -1.75 1.30 0.28 -0.49 0.00 0.00 175.26 174.67 2hdm n VAL 5 N 7.10 0.00 0.32 2.63 0.31 -1.26 -4.30 118.33 123.13 2hdm n VAL 5 Ca 0.17 -0.16 -0.19 0.00 -0.01 0.00 0.00 64.34 64.15 2hdm n VAL 5 Cb 0.48 0.79 -0.10 0.00 -0.91 0.00 0.00 33.84 34.11 2hdm n VAL 5 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2hdm h SER 6 N 1.55 -1.38 -3.61 4.52 4.64 -2.03 -3.35 113.55 113.89 2hdm h SER 6 Ca 0.00 0.10 -0.70 0.00 -0.47 0.00 0.00 61.79 60.73 2hdm h SER 6 Cb 0.61 0.45 -0.30 0.00 -0.31 0.00 0.00 62.40 62.84 2hdm h SER 6 CO 0.00 -0.69 -0.58 -1.81 -0.87 0.00 0.00 176.83 172.88 2hdm s ASP 7 N -4.31 5.31 0.32 4.97 1.01 -1.26 -5.08 116.67 117.63 2hdm s ASP 7 Ca -0.18 -1.41 -0.29 0.00 0.71 0.00 0.00 52.55 51.38 2hdm s ASP 7 Cb 0.04 -1.86 -0.10 0.00 1.01 0.00 0.00 42.92 42.00 2hdm s ASP 7 CO 0.60 -0.40 1.41 -1.59 0.21 0.00 0.00 175.17 175.40 2hdm s LYS 8 N 1.34 4.25 -0.61 8.23 0.00 -1.26 -3.83 119.74 127.85 2hdm s LYS 8 Ca 0.01 2.36 -0.06 0.00 0.00 0.00 0.00 55.97 58.28 2hdm s LYS 8 Cb -0.21 -3.05 0.01 0.00 0.00 0.00 0.00 37.83 34.58 2hdm s LYS 8 CO 0.01 -0.37 0.65 0.54 0.00 0.00 0.00 175.35 176.17 2hdm n ARG 9 N 1.19 -1.72 -3.93 1.78 5.12 -1.26 -5.07 116.66 112.77 2hdm n ARG 9 Ca 0.03 1.73 -0.09 0.00 -1.93 0.00 0.00 57.85 57.59 2hdm n ARG 9 Cb 0.40 -5.68 -0.09 0.00 -1.16 0.00 0.00 32.46 25.94 2hdm n ARG 9 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 2hdm s THR 10 N -2.84 0.16 0.06 0.55 -1.32 -1.25 -5.00 115.64 106.00 2hdm s THR 10 Ca 0.10 -1.28 -0.14 0.00 -1.21 0.00 0.00 61.69 59.16 2hdm s THR 10 Cb -0.03 -1.23 0.02 0.00 -1.51 0.00 0.00 72.50 69.75 2hdm s THR 10 CO 0.75 -0.71 0.31 0.00 -2.21 0.00 0.00 174.62 172.76 2hdm h VAL 12 N 3.05 0.74 -2.84 0.00 -1.51 -1.99 -3.47 116.25 110.23 2hdm h VAL 12 Ca -0.32 -2.45 -0.19 0.00 -1.23 0.00 0.00 66.70 62.51 2hdm h VAL 12 Cb 1.21 2.56 -0.30 0.00 -2.13 0.00 0.00 31.29 32.62 2hdm h VAL 12 CO 0.47 0.84 -0.47 -0.44 -1.23 0.00 0.00 177.57 176.74 2hdm s SER 13 N -6.96 0.02 0.13 4.19 0.01 -1.26 -5.12 113.70 104.71 2hdm s SER 13 Ca -0.18 0.65 -0.31 0.00 1.31 0.00 0.00 55.95 57.43 2hdm s SER 13 Cb 0.07 0.71 -0.08 0.00 0.21 0.00 0.00 66.02 66.92 2hdm s SER 13 CO 0.80 -0.21 1.37 -0.76 0.41 0.00 0.00 173.24 174.84 2hdm s LEU 14 N 2.02 4.38 -0.33 2.44 1.43 -1.26 -4.74 118.68 122.62 2hdm s LEU 14 Ca -0.03 2.34 -0.26 0.00 -1.03 0.00 0.00 54.13 55.15 2hdm s LEU 14 Cb -0.11 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.53 2hdm s LEU 14 CO -0.09 -0.62 0.91 -0.89 0.23 0.00 0.00 176.35 175.88 2hdm s THR 15 N 0.89 4.65 -0.15 5.49 2.01 0.13 -4.76 115.64 123.90 2hdm s THR 15 Ca 0.63 1.33 0.22 0.00 0.31 0.00 0.00 61.69 64.17 2hdm s THR 15 Cb -0.37 -4.28 -0.15 0.00 0.01 0.00 0.00 72.50 67.71 2hdm s THR 15 CO 0.32 -0.41 0.78 1.07 -0.69 0.00 0.00 174.62 175.69 2hdm n THR 16 N 5.77 0.47 -1.81 -0.82 5.66 -1.26 -1.50 114.28 120.79 2hdm n THR 16 Ca 0.07 -0.56 -0.34 0.00 -3.05 0.00 0.00 64.05 60.18 2hdm n THR 16 Cb 0.48 -0.25 0.04 0.00 -1.55 0.00 0.00 70.33 69.05 2hdm n THR 16 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2hdm s GLN 17 N -3.35 2.82 0.17 1.09 -0.21 -1.26 -4.95 119.66 113.97 2hdm s GLN 17 Ca -0.04 1.49 -0.10 0.00 0.02 0.00 0.00 55.36 56.73 2hdm s GLN 17 Cb 0.11 -1.94 -0.07 0.00 1.00 0.00 0.00 33.01 32.11 2hdm s GLN 17 CO 0.84 -1.25 0.50 1.03 -2.12 0.00 0.00 175.29 174.28 2hdm s ARG 18 N -3.90 3.82 0.25 2.91 0.52 -1.26 -5.01 118.95 116.28 2hdm s ARG 18 Ca 0.69 0.27 0.11 0.00 -0.52 0.00 0.00 55.73 56.28 2hdm s ARG 18 Cb -0.23 -2.81 -0.05 0.00 0.52 0.00 0.00 34.95 32.38 2hdm s ARG 18 CO 0.39 0.42 -0.13 -0.51 0.02 0.00 0.00 175.30 175.50 2hdm s LEU 19 N -2.40 2.81 0.09 2.53 1.02 -1.26 -5.10 118.68 116.38 2hdm s LEU 19 Ca 0.41 -0.82 -0.31 0.00 0.02 0.00 0.00 54.13 53.43 2hdm s LEU 19 Cb -0.13 -1.38 -0.08 0.00 0.02 0.00 0.00 46.19 44.62 2hdm s LEU 19 CO 0.20 0.05 1.45 -2.84 0.02 0.00 0.00 176.35 175.23 2hdm s PRO 20 N -3.35 4.28 0.52 1.29 0.02 -1.26 -4.88 135.00 131.62 2hdm s PRO 20 Ca 0.28 2.13 0.26 0.00 0.02 0.00 0.00 61.00 63.69 2hdm s PRO 20 Cb -0.06 -3.35 1.41 0.00 0.02 0.00 0.00 34.50 32.52 2hdm s PRO 20 CO 0.16 -0.53 2.06 0.00 -0.33 0.00 0.00 177.00 178.36 2hdm h SER 22 N 0.00 0.00 0.20 0.00 0.02 -2.04 -1.46 113.55 110.27 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 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2hdm h SER 22 CO 0.02 0.00 -0.41 0.54 -1.14 0.00 0.00 176.83 175.84 2hdm n ARG 23 N -2.56 0.72 -2.31 3.45 1.74 0.12 -4.85 116.66 112.97 2hdm n ARG 23 Ca 0.00 -0.49 -0.42 0.00 -0.77 0.00 0.00 57.85 56.17 2hdm n ARG 23 Cb 0.18 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.10 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 3.79 -0.22 0.55 -1.09 -0.55 -3.02 121.20 118.04 2hdm s ILE 24 Ca 0.19 1.24 -0.10 0.00 -2.23 0.00 0.00 60.65 59.76 2hdm s ILE 24 Cb 0.18 -3.80 -0.10 0.00 -1.58 0.00 0.00 42.46 37.17 2hdm s ILE 24 CO 0.59 0.06 -0.28 1.17 -1.23 0.00 0.00 174.94 175.25 2hdm n LYS 25 N 4.49 0.47 -3.72 2.79 0.00 0.09 -4.90 118.16 117.37 2hdm n LYS 25 Ca 0.11 0.20 -0.09 0.00 0.00 0.00 0.00 58.31 58.53 2hdm n LYS 25 Cb 0.45 -1.29 -0.02 0.00 0.00 0.00 0.00 35.03 34.16 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 0.00 0.16 3.15 -1.32 -1.11 -5.00 115.64 109.12 2hdm s THR 26 Ca -0.30 -0.70 0.01 0.00 -1.21 0.00 0.00 61.69 59.49 2hdm s THR 26 Cb 0.12 -1.66 -0.04 0.00 -1.51 0.00 0.00 72.50 69.40 2hdm s THR 26 CO 0.39 -0.02 -0.00 -0.72 -2.21 0.00 0.00 174.62 172.06 2hdm s TYR 27 N -3.87 1.12 -0.04 9.09 -0.85 -1.26 -0.16 117.35 121.38 2hdm s TYR 27 Ca 0.08 -1.03 -0.01 0.00 -0.52 0.00 0.00 57.07 55.59 2hdm s TYR 27 Cb -0.03 -0.64 0.03 0.00 0.38 0.00 0.00 41.96 41.70 2hdm s TYR 27 CO -0.00 -0.24 0.04 0.95 -1.52 0.00 0.00 175.55 174.78 2hdm s THR 28 N -3.70 -0.00 -0.23 -3.49 -4.23 0.11 -4.95 115.64 99.15 2hdm s THR 28 Ca 0.22 0.31 -0.13 0.00 -1.18 0.00 0.00 61.69 60.91 2hdm s THR 28 Cb 0.06 -0.21 -0.04 0.00 1.34 0.00 0.00 72.50 73.65 2hdm s THR 28 CO 0.02 0.17 0.27 -0.63 -0.54 0.00 0.00 174.62 173.91 2hdm s ILE 29 N 1.83 5.28 -0.07 2.99 1.01 -1.26 0.23 121.20 131.20 2hdm s ILE 29 Ca 0.01 0.42 0.05 0.00 0.00 0.00 0.00 60.65 61.13 2hdm s ILE 29 Cb -0.12 -3.61 -0.01 0.00 0.01 0.00 0.00 42.46 38.73 2hdm s ILE 29 CO -0.03 0.29 -0.25 0.42 0.00 0.00 0.00 174.94 175.38 2hdm s THR 30 N 1.23 2.07 0.05 2.92 -4.23 0.42 -4.97 115.64 113.13 2hdm s THR 30 Ca 0.13 -1.04 0.07 0.00 -1.18 0.00 0.00 61.69 59.66 2hdm s THR 30 Cb -0.14 -1.76 -0.03 0.00 1.34 0.00 0.00 72.50 71.91 2hdm s THR 30 CO 0.06 0.57 -0.20 -1.61 -0.54 0.00 0.00 174.62 172.90 2hdm s GLU 31 N 0.03 1.29 0.00 3.99 2.02 -1.26 -0.83 118.70 123.93 2hdm s GLU 31 Ca -0.10 -0.95 0.00 0.00 0.02 0.00 0.00 54.97 53.94 2hdm s GLU 31 Cb -0.15 -1.41 0.00 0.00 0.10 0.00 0.00 34.13 32.66 2hdm s GLU 31 CO 0.06 0.35 0.00 0.41 0.02 0.00 0.00 175.26 176.10 2hdm n GLY 32 N 1.73 -0.83 0.07 -1.39 0.00 -1.26 -4.88 105.19 98.63 2hdm n GLY 32 Ca -0.18 0.31 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 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 0.04 -1.85 1.61 0.02 -2.04 -3.43 113.55 107.90 2hdm h SER 33 Ca 0.00 -0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.80 2hdm h SER 33 Cb 0.00 -0.01 -0.28 0.00 0.14 0.00 0.00 62.40 62.25 2hdm h SER 33 CO 0.00 1.03 -0.43 -0.22 -1.14 0.00 0.00 176.83 176.07 2hdm s LEU 34 N -6.70 -0.74 -0.37 5.07 2.96 -1.26 -5.10 118.68 112.54 2hdm s LEU 34 Ca 0.00 0.42 -0.28 0.00 -0.22 0.00 0.00 54.13 54.05 2hdm s LEU 34 Cb 0.10 1.30 -0.01 0.00 0.50 0.00 0.00 46.19 48.07 2hdm s LEU 34 CO 0.83 -0.29 1.71 -0.60 -1.32 0.00 0.00 176.35 176.68 2hdm s ARG 35 N 2.60 3.35 -0.02 1.98 3.52 -1.25 -4.45 118.95 124.68 2hdm s ARG 35 Ca 0.12 1.25 -0.07 0.00 -0.13 0.00 0.00 55.73 56.90 2hdm s ARG 35 Cb -0.15 -4.17 0.01 0.00 -1.56 0.00 0.00 34.95 29.08 2hdm s ARG 35 CO -0.16 -1.84 0.14 0.00 -0.81 0.00 0.00 175.30 172.63 2hdm s ALA 36 N 6.67 -0.35 -0.30 6.12 0.00 -0.01 -4.78 121.76 129.10 2hdm s ALA 36 Ca 0.74 0.08 -0.10 0.00 0.00 0.00 0.00 51.96 52.68 2hdm s ALA 36 Cb -0.20 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 2hdm s ALA 36 CO 0.32 -0.16 0.15 0.54 0.00 0.00 0.00 175.76 176.62 2hdm s VAL 37 N -0.84 4.70 -0.35 0.00 0.11 -1.20 -0.44 120.40 122.38 2hdm s VAL 37 Ca -0.09 -0.29 -0.13 0.00 -2.93 0.00 0.00 61.98 58.53 2hdm s VAL 37 Cb -0.05 -3.35 -0.01 0.00 -1.53 0.00 0.00 36.38 31.44 2hdm s VAL 37 CO 0.01 0.13 0.25 -0.63 -3.33 0.00 0.00 175.10 171.52 2hdm s ILE 38 N 1.64 5.26 -0.04 7.04 1.01 0.14 -0.61 121.20 135.63 2hdm s ILE 38 Ca 0.05 -0.29 -0.10 0.00 0.00 0.00 0.00 60.65 60.31 2hdm s ILE 38 Cb -0.17 -3.73 -0.05 0.00 0.01 0.00 0.00 42.46 38.52 2hdm s ILE 38 CO 0.07 -0.05 0.28 -0.36 0.00 0.00 0.00 174.94 174.88 2hdm s PHE 39 N 1.71 3.65 -0.13 3.97 0.08 0.17 0.08 117.98 127.51 2hdm s PHE 39 Ca 0.06 0.75 -0.03 0.00 0.12 0.00 0.00 56.93 57.83 2hdm s PHE 39 Cb -0.18 -2.11 -0.03 0.00 -0.57 0.00 0.00 43.02 40.14 2hdm s PHE 39 CO 0.10 0.67 -0.04 0.42 -0.10 0.00 0.00 175.22 176.28 2hdm s ILE 40 N -1.10 3.94 0.78 0.64 -1.09 0.77 0.18 121.20 125.32 2hdm s ILE 40 Ca 0.21 -0.36 -0.03 0.00 -2.23 0.00 0.00 60.65 58.25 2hdm s ILE 40 Cb -0.14 -2.70 0.16 0.00 -1.58 0.00 0.00 42.46 38.19 2hdm s ILE 40 CO 0.10 0.52 1.07 0.42 -1.23 0.00 0.00 174.94 175.82 2hdm s THR 41 N 0.03 2.03 -0.23 2.92 -4.23 -0.93 -0.73 115.64 114.49 2hdm s THR 41 Ca 0.01 -0.53 0.28 0.00 -1.18 0.00 0.00 61.69 60.27 2hdm s THR 41 Cb -0.13 -2.50 0.32 0.00 1.34 0.00 0.00 72.50 71.53 2hdm s THR 41 CO 0.03 0.00 1.83 0.11 -0.54 0.00 0.00 174.62 176.05 2hdm h LYS 42 N -0.76 0.00 0.00 3.99 6.56 -1.88 -1.97 116.57 122.51 2hdm h LYS 42 Ca -0.36 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.23 2hdm h LYS 42 Cb 1.25 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.91 2hdm h LYS 42 CO 0.37 0.00 0.00 -0.09 -2.06 0.00 0.00 179.45 177.67 2hdm h ARG 43 N 0.00 0.00 0.00 3.15 2.43 -1.93 -3.47 114.38 114.56 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 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 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 0.65 0.83 3.88 2.80 0.00 -0.74 -5.06 105.19 107.56 2hdm n GLY 44 Ca 0.03 -0.01 -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 4.14 -0.16 0.99 1.43 -1.26 -4.87 118.68 118.94 2hdm s LEU 45 Ca 0.00 0.85 -0.12 0.00 -1.03 0.00 0.00 54.13 53.83 2hdm s LEU 45 Cb 0.00 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.55 2hdm s LEU 45 CO 0.00 -0.10 0.23 -1.59 0.23 0.00 0.00 176.35 175.12 2hdm s LYS 46 N -3.00 4.16 0.08 1.70 0.00 -1.26 -2.20 119.74 119.22 2hdm s LYS 46 Ca 0.46 -0.01 0.09 0.00 0.00 0.00 0.00 55.97 56.51 2hdm s LYS 46 Cb -0.11 -3.40 -0.03 0.00 0.00 0.00 0.00 37.83 34.29 2hdm s LYS 46 CO 0.24 0.31 -0.23 0.08 0.00 0.00 0.00 175.35 175.75 2hdm s VAL 47 N 0.27 2.46 -0.11 1.79 1.01 0.13 -4.98 120.40 120.97 2hdm s VAL 47 Ca 0.14 -1.44 0.03 0.00 0.00 0.00 0.00 61.98 60.70 2hdm s VAL 47 Cb -0.12 -2.04 0.01 0.00 0.00 0.00 0.00 36.38 34.22 2hdm s VAL 47 CO 0.02 0.25 -0.21 0.00 0.00 0.00 0.00 175.10 175.16 2hdm s ALA 49 N 0.64 2.79 -0.31 0.00 0.00 0.22 0.18 121.76 125.30 2hdm s ALA 49 Ca -0.12 -1.42 -0.29 0.00 0.00 0.00 0.00 51.96 50.13 2hdm s ALA 49 Cb -0.16 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.29 2hdm s ALA 49 CO 0.03 0.53 1.32 0.34 0.00 0.00 0.00 175.76 177.97 2hdm s ASP 50 N -2.47 6.64 0.00 0.00 2.15 -0.56 -3.26 116.67 119.17 2hdm s ASP 50 Ca 0.21 1.19 0.06 0.00 0.43 0.00 0.00 52.55 54.44 2hdm s ASP 50 Cb -0.10 -2.54 0.29 0.00 -0.30 0.00 0.00 42.92 40.28 2hdm s ASP 50 CO 0.12 -1.11 1.14 -2.65 -0.17 0.00 0.00 175.17 172.51 2hdm n PRO 51 N 7.38 0.04 0.04 4.34 -0.02 -1.26 -1.26 135.00 144.26 2hdm n PRO 51 Ca 0.15 0.32 0.12 0.00 -2.02 0.00 0.00 63.50 62.07 2hdm n PRO 51 Cb 0.47 -1.50 0.11 0.00 -0.02 0.00 0.00 33.50 32.56 2hdm n PRO 51 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2hdm n GLN 52 N -1.41 0.27 -2.23 -0.52 1.13 -1.26 -4.59 117.38 108.77 2hdm n GLN 52 Ca 0.02 0.04 -0.42 0.00 -1.94 0.00 0.00 57.00 54.70 2hdm n GLN 52 Cb 0.06 -1.64 -0.03 0.00 0.11 0.00 0.00 30.24 28.75 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 -3.17 3.55 0.38 -1.58 0.00 -0.39 -4.91 121.76 115.66 2hdm s ALA 53 Ca 0.05 0.99 0.07 0.00 0.00 0.00 0.00 51.96 53.08 2hdm s ALA 53 Cb 0.14 -3.54 0.77 0.00 0.00 0.00 0.00 23.12 20.49 2hdm s ALA 53 CO 0.75 -0.70 1.95 1.15 0.00 0.00 0.00 175.76 178.92 2hdm h THR 54 N 4.54 1.15 -0.12 0.00 2.02 -1.88 0.49 112.91 119.11 2hdm h THR 54 Ca -0.40 -0.58 -0.12 0.00 0.77 0.00 0.00 66.41 66.07 2hdm h THR 54 Cb 1.20 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 2hdm h THR 54 CO 0.87 0.20 -0.47 4.11 0.37 0.00 0.00 175.52 180.60 2hdm h TRP 55 N 0.39 0.35 0.01 3.16 5.08 -1.95 0.17 115.95 123.16 2hdm h TRP 55 Ca 0.09 -0.11 -0.00 0.00 1.08 0.00 0.00 58.89 59.95 2hdm h TRP 55 Cb 0.22 -0.07 0.00 0.00 -3.00 0.00 0.00 29.16 26.31 2hdm h TRP 55 CO 0.01 0.71 -0.00 0.28 -1.28 0.00 0.00 178.44 178.15 2hdm h VAL 56 N 0.24 1.31 -0.53 0.12 2.07 -1.56 -0.70 116.25 117.20 2hdm h VAL 56 Ca 0.01 -0.94 0.08 0.00 0.82 0.00 0.00 66.70 66.67 2hdm h VAL 56 Cb 0.92 1.95 -0.06 0.00 -1.52 0.00 0.00 31.29 32.57 2hdm h VAL 56 CO 0.07 0.24 0.18 0.03 0.02 0.00 0.00 177.57 178.12 2hdm h ARG 57 N -0.41 0.35 -0.77 1.57 3.08 -0.74 0.62 114.38 118.08 2hdm h ARG 57 Ca -0.00 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.08 2hdm h ARG 57 Cb 0.40 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.32 2hdm h ARG 57 CO 0.00 0.23 0.47 0.22 -1.07 0.00 0.00 179.97 179.82 2hdm h ASP 58 N 0.36 0.73 0.36 7.04 3.58 -0.54 -1.33 116.42 126.62 2hdm h ASP 58 Ca 0.26 0.02 -0.32 0.00 0.42 0.00 0.00 57.03 57.40 2hdm h ASP 58 Cb 0.29 -0.13 0.01 0.00 1.72 0.00 0.00 39.33 41.22 2hdm h ASP 58 CO -0.27 0.47 -1.54 0.00 -2.88 0.00 0.00 179.24 175.03 2hdm h VAL 60 N 0.10 0.80 0.00 0.00 3.04 0.25 -0.77 116.25 119.68 2hdm h VAL 60 Ca -0.26 -0.60 -0.25 0.00 -1.01 0.00 0.00 66.70 64.59 2hdm h VAL 60 Cb 2.08 1.35 -0.04 0.00 -2.01 0.00 0.00 31.29 32.67 2hdm h VAL 60 CO 0.20 0.15 -1.61 0.54 -1.01 0.00 0.00 177.57 175.84 2hdm n ARG 61 N -3.91 0.63 -0.07 4.17 5.12 -0.51 -3.28 116.66 118.81 2hdm n ARG 61 Ca -0.02 0.26 -0.09 0.00 -1.93 0.00 0.00 57.85 56.07 2hdm n ARG 61 Cb 0.25 -1.79 -0.02 0.00 -1.16 0.00 0.00 32.46 29.74 2hdm n ARG 61 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2hdm h SER 62 N 0.00 0.27 0.36 0.55 0.87 0.25 0.23 113.55 116.08 2hdm h SER 62 Ca -0.24 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.24 2hdm h SER 62 Cb 1.85 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.75 2hdm h SER 62 CO 0.06 0.19 -0.34 0.24 -0.53 0.00 0.00 176.83 176.46 2hdm h MET 63 N 0.33 0.00 -0.23 2.24 2.86 -1.32 -0.45 114.93 118.36 2hdm h MET 63 Ca 0.11 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.57 2hdm h MET 63 Cb -0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 2hdm h MET 63 CO -0.05 0.34 -0.57 0.22 1.06 0.00 0.00 176.91 177.92 2hdm h ASP 64 N 0.00 0.90 -0.40 1.22 3.58 -1.42 -1.22 116.42 119.08 2hdm h ASP 64 Ca -0.00 -0.56 -0.03 0.00 0.42 0.00 0.00 57.03 56.85 2hdm h ASP 64 Cb 0.62 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.39 2hdm h ASP 64 CO 0.04 1.30 0.12 -0.09 -2.88 0.00 0.00 179.24 177.73 2hdm h ARG 65 N 0.54 0.62 0.00 0.28 2.43 0.04 -1.61 114.38 116.68 2hdm h ARG 65 Ca -0.01 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 2hdm h ARG 65 Cb 1.18 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 2hdm h ARG 65 CO 0.12 0.63 0.00 1.57 -1.51 0.00 0.00 179.97 180.78 2hdm h LYS 66 N 0.50 0.00 -4.66 0.20 2.10 -1.17 -3.48 116.57 110.05 2hdm h LYS 66 Ca 0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.78 2hdm h LYS 66 Cb 0.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.60 2hdm h LYS 66 CO -0.00 0.00 -0.61 0.43 -2.00 0.00 0.00 179.45 177.26 2hdm n SER 67 N -2.74 -6.57 -4.81 7.07 7.64 -0.55 -5.05 113.62 108.61 2hdm n SER 67 Ca 0.03 0.84 -0.34 0.00 1.01 0.00 0.00 58.87 60.40 2hdm n SER 67 Cb 0.36 -4.32 -0.07 0.00 -1.01 0.00 0.00 64.21 59.17 2hdm n SER 67 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2hdm s ASN 68 N -1.62 5.87 0.09 6.43 2.47 -0.67 -5.02 114.94 122.49 2hdm s ASN 68 Ca 0.07 0.23 -0.31 0.00 0.42 0.00 0.00 52.86 53.28 2hdm s ASN 68 Cb -0.02 -1.75 -0.10 0.00 -1.45 0.00 0.00 41.25 37.93 2hdm s ASN 68 CO 0.59 0.30 1.84 0.28 -3.72 0.00 0.00 177.10 176.39 2hdm s THR 69 N -1.16 2.75 0.00 -5.21 -1.32 -1.26 -4.85 115.64 104.58 2hdm s THR 69 Ca 0.22 0.12 0.00 0.00 -1.21 0.00 0.00 61.69 60.81 2hdm s THR 69 Cb -0.12 -3.08 0.00 0.00 -1.51 0.00 0.00 72.50 67.79 2hdm s THR 69 CO 0.12 -0.00 0.69 0.54 -2.21 0.00 0.00 174.62 173.76 2hdm n ARG 70 N 6.18 1.17 0.00 7.08 1.74 -1.26 -5.00 116.66 126.57 2hdm n ARG 70 Ca 0.18 -0.89 0.00 0.00 -0.77 0.00 0.00 57.85 56.37 2hdm n ARG 70 Cb 0.39 -0.70 0.00 0.00 -1.02 0.00 0.00 32.46 31.13 2hdm n ARG 70 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2hdm n ASN 71 N -0.20 -2.20 -4.49 0.55 4.13 -1.26 -4.13 115.26 107.67 2hdm n ASN 71 Ca 0.00 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.84 2hdm n ASN 71 Cb 0.39 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.60 2hdm n ASN 71 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 2hdm s ASN 72 N -4.00 6.35 -0.33 6.41 3.84 -1.26 -4.90 114.94 121.05 2hdm s ASN 72 Ca 0.00 -1.25 -0.01 0.00 0.21 0.00 0.00 52.86 51.81 2hdm s ASN 72 Cb 0.00 -2.47 0.13 0.00 -0.55 0.00 0.00 41.25 38.36 2hdm s ASN 72 CO 0.00 -1.43 0.22 -0.32 -2.79 0.00 0.00 177.10 172.78 2hdm s MET 73 N 4.21 0.44 0.00 0.43 1.75 -1.26 -4.89 119.30 119.98 2hdm s MET 73 Ca 0.32 -0.91 0.02 0.00 -1.25 0.00 0.00 55.69 53.88 2hdm s MET 73 Cb -0.09 -1.10 -0.01 0.00 2.84 0.00 0.00 34.83 36.47 2hdm s MET 73 CO 0.02 -1.14 0.24 -0.89 -0.65 0.00 0.00 175.02 172.60 2hdm n ILE 74 N 4.55 0.00 -0.58 10.11 2.08 -1.26 -5.03 119.36 129.22 2hdm n ILE 74 Ca 0.05 -0.47 0.00 0.00 0.56 0.00 0.00 62.75 62.90 2hdm n ILE 74 Cb 0.41 1.02 0.00 0.00 -0.75 0.00 0.00 39.64 40.31 2hdm n ILE 74 CO 0.00 0.00 0.00 1.67 0.56 0.00 0.00 176.55 178.78