#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hhv n ASP 2 N 0.00 -2.20 0.09 1.61 8.00 -1.26 -4.88 116.55 117.92 1hhv n ASP 2 Ca 0.00 -0.61 0.13 0.00 0.71 0.00 0.00 54.79 55.02 1hhv n ASP 2 Cb 0.00 -5.01 0.45 0.00 -0.02 0.00 0.00 41.12 36.54 1hhv n ASP 2 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1hhv n THR 3 N -4.02 0.58 -0.05 -3.53 5.66 -1.26 -3.38 114.28 108.29 1hhv n THR 3 Ca -0.27 -0.12 -0.11 0.00 -3.05 0.00 0.00 64.05 60.49 1hhv n THR 3 Cb 0.66 -0.70 -0.14 0.00 -1.55 0.00 0.00 70.33 68.59 1hhv n THR 3 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1hhv n LEU 4 N -2.12 1.03 -2.62 1.09 0.00 -1.26 -5.03 117.00 108.09 1hhv n LEU 4 Ca 0.05 0.23 -0.02 0.00 0.00 0.00 0.00 56.01 56.27 1hhv n LEU 4 Cb 0.37 0.00 0.01 0.00 0.00 0.00 0.00 43.42 43.80 1hhv n LEU 4 CO 0.27 0.53 0.19 0.61 0.00 0.00 0.00 177.39 178.99 1hhv n GLY 5 N 1.72 -0.86 2.80 -3.96 0.00 -1.22 -5.04 105.19 98.63 1hhv n GLY 5 Ca -0.26 0.28 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 1hhv n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hhv s ALA 6 N -3.06 -0.60 0.54 4.61 0.00 -1.26 -5.13 121.76 116.85 1hhv s ALA 6 Ca 0.07 0.01 -0.19 0.00 0.00 0.00 0.00 51.96 51.85 1hhv s ALA 6 Cb -0.01 -1.74 -0.09 0.00 0.00 0.00 0.00 23.12 21.28 1hhv s ALA 6 CO 0.52 -1.57 0.58 0.43 0.00 0.00 0.00 175.76 175.72 1hhv n SER 7 N 5.32 -0.77 -2.31 0.00 7.64 -1.26 -4.92 113.62 117.33 1hhv n SER 7 Ca -0.03 0.78 -0.16 0.00 1.01 0.00 0.00 58.87 60.48 1hhv n SER 7 Cb 0.48 -1.19 0.03 0.00 -1.01 0.00 0.00 64.21 62.52 1hhv n SER 7 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 1hhv n TRP 8 N -1.50 2.28 -2.91 1.43 -0.00 -1.26 -4.91 117.44 110.58 1hhv n TRP 8 Ca 0.12 -2.25 -0.04 0.00 -0.00 0.00 0.00 57.50 55.32 1hhv n TRP 8 Cb 0.46 -0.29 -0.00 0.00 -0.00 0.00 0.00 31.31 31.47 1hhv n TRP 8 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 177.69 174.31 1hhv s HIS 9 N -3.65 -1.51 0.56 5.87 -3.43 -1.26 -5.11 115.29 106.75 1hhv s HIS 9 Ca 0.43 -0.44 0.00 0.00 -0.80 0.00 0.00 55.06 54.25 1hhv s HIS 9 Cb 0.38 0.26 0.00 0.00 -1.43 0.00 0.00 32.58 31.79 1hhv s HIS 9 CO 0.00 -1.23 0.00 0.54 -2.00 0.00 0.00 174.74 172.05 1hhv n ARG 10 N 3.34 -4.83 0.00 -0.38 1.74 -1.26 -4.97 116.66 110.30 1hhv n ARG 10 Ca 0.17 3.60 0.00 0.00 -0.77 0.00 0.00 57.85 60.85 1hhv n ARG 10 Cb 0.56 -4.07 0.00 0.00 -1.02 0.00 0.00 32.46 27.92 1hhv n ARG 10 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1hhv n PRO 11 N -0.88 0.57 -2.95 5.56 -0.04 -1.26 -5.04 135.00 130.96 1hhv n PRO 11 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 1hhv n PRO 11 Cb 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 1hhv n PRO 11 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1hhv n ASP 12 N -0.76 -2.32 -3.88 3.54 -0.08 -1.26 -4.93 116.55 106.86 1hhv n ASP 12 Ca 0.00 -2.83 -0.42 0.00 -1.51 0.00 0.00 54.79 50.02 1hhv n ASP 12 Cb 0.00 0.99 0.00 0.00 2.34 0.00 0.00 41.12 44.46 1hhv n ASP 12 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1hhv n LYS 13 N 2.56 3.46 0.00 -0.67 4.76 -1.26 -4.25 118.16 122.76 1hhv n LYS 13 Ca 0.20 -3.37 0.00 0.00 -2.87 0.00 0.00 58.31 52.27 1hhv n LYS 13 Cb 0.55 -3.01 0.00 0.00 -1.84 0.00 0.00 35.03 30.73 1hhv n LYS 13 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1hhv n LEU 16 N 0.00 2.15 0.00 0.00 4.77 -1.26 -4.95 117.00 117.71 1hhv n LEU 16 Ca -0.02 -1.09 0.00 0.00 -0.03 0.00 0.00 56.01 54.88 1hhv n LEU 16 Cb 0.13 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 1hhv n LEU 16 CO 0.06 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1hhv n GLY 17 N 0.13 2.71 2.94 -0.72 0.00 -1.26 -4.28 105.19 104.71 1hhv n GLY 17 Ca 0.05 0.20 -0.25 0.00 0.00 0.00 0.00 46.02 46.02 1hhv n GLY 17 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1hhv s TYR 18 N 0.00 1.37 -0.16 1.61 2.02 -1.24 -4.11 117.35 116.85 1hhv s TYR 18 Ca 0.00 -0.60 -0.42 0.00 -0.37 0.00 0.00 57.07 55.68 1hhv s TYR 18 Cb 0.00 -1.11 -0.20 0.00 -0.40 0.00 0.00 41.96 40.25 1hhv s TYR 18 CO 0.00 -0.40 1.22 0.94 -1.57 0.00 0.00 175.55 175.74 1hhv n GLN 19 N 4.52 0.00 -0.04 -0.62 -0.06 0.89 -4.85 117.38 117.22 1hhv n GLN 19 Ca -0.17 0.00 -0.21 0.00 -2.00 0.00 0.00 57.00 54.62 1hhv n GLN 19 Cb 0.51 -1.48 -0.13 0.00 -4.06 0.00 0.00 30.24 25.07 1hhv n GLN 19 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1hhv n LYS 20 N 2.27 0.71 -2.14 3.69 4.01 -1.26 -4.90 118.16 120.53 1hhv n LYS 20 Ca 0.23 0.30 -0.31 0.00 -0.51 0.00 0.00 58.31 58.02 1hhv n LYS 20 Cb 0.04 -1.68 -0.00 0.00 -0.51 0.00 0.00 35.03 32.87 1hhv n LYS 20 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1hhv s ARG 21 N -2.52 3.69 0.23 1.97 0.52 -1.26 -5.01 118.95 116.57 1hhv s ARG 21 Ca -0.26 0.72 -0.30 0.00 -0.52 0.00 0.00 55.73 55.37 1hhv s ARG 21 Cb 0.07 -2.15 -0.09 0.00 0.52 0.00 0.00 34.95 33.31 1hhv s ARG 21 CO 0.71 -0.42 1.27 -1.25 0.02 0.00 0.00 175.30 175.62 1hhv s PRO 22 N -4.78 4.43 -0.08 3.54 0.04 -1.26 -5.02 135.00 131.86 1hhv s PRO 22 Ca 0.55 2.03 0.03 0.00 0.04 0.00 0.00 61.00 63.65 1hhv s PRO 22 Cb -0.11 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.26 1hhv s PRO 22 CO 0.46 -0.17 -0.19 -0.51 0.04 0.00 0.00 177.00 176.64 1hhv s LEU 23 N -0.55 1.90 0.00 -3.56 1.43 -1.26 -5.13 118.68 111.51 1hhv s LEU 23 Ca 0.53 -0.43 -0.14 0.00 -1.03 0.00 0.00 54.13 53.06 1hhv s LEU 23 Cb -0.36 -1.14 0.20 0.00 0.03 0.00 0.00 46.19 44.93 1hhv s LEU 23 CO 0.41 0.12 0.91 -0.81 0.23 0.00 0.00 176.35 177.21 1hhv n PRO 24 N 3.55 -1.84 0.00 1.29 -0.04 -1.26 -4.88 135.00 131.82 1hhv n PRO 24 Ca -0.20 -1.43 0.00 0.00 -0.04 0.00 0.00 63.50 61.82 1hhv n PRO 24 Cb 0.52 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 1hhv n PRO 24 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1hhv n GLN 25 N -3.60 0.00 0.09 0.54 7.27 -1.26 -4.55 117.38 115.87 1hhv n GLN 25 Ca 0.12 0.00 0.07 0.00 0.07 0.00 0.00 57.00 57.26 1hhv n GLN 25 Cb 0.44 -0.87 0.35 0.00 2.41 0.00 0.00 30.24 32.57 1hhv n GLN 25 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1hhv n VAL 26 N -2.56 1.32 0.00 1.69 0.31 -1.26 -1.53 118.33 116.31 1hhv n VAL 26 Ca 0.00 0.53 -0.12 0.00 -0.01 0.00 0.00 64.34 64.74 1hhv n VAL 26 Cb 0.48 -1.50 -0.14 0.00 -0.91 0.00 0.00 33.84 31.77 1hhv n VAL 26 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1hhv h LEU 27 N 0.00 0.14-10.44 7.52 5.85 -2.00 -3.47 115.31 112.91 1hhv h LEU 27 Ca 0.00 -0.27 -0.46 0.00 0.84 0.00 0.00 57.88 58.00 1hhv h LEU 27 Cb 0.08 -0.05 0.05 0.00 0.37 0.00 0.00 40.66 41.11 1hhv h LEU 27 CO 0.00 1.24 0.02 -0.76 -0.34 0.00 0.00 178.44 178.59 1hhv s LEU 28 N -6.46 3.35 -0.03 2.25 1.43 -0.58 -4.21 118.68 114.43 1hhv s LEU 28 Ca -0.08 0.30 -0.03 0.00 -1.03 0.00 0.00 54.13 53.29 1hhv s LEU 28 Cb 0.08 -3.14 -0.01 0.00 0.03 0.00 0.00 46.19 43.14 1hhv s LEU 28 CO 0.82 -1.01 -0.05 -0.24 0.23 0.00 0.00 176.35 176.09 1hhv n SER 29 N -2.36 0.37 -0.00 2.29 2.88 -0.02 -4.73 113.62 112.05 1hhv n SER 29 Ca 0.05 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 1hhv n SER 29 Cb 0.59 -0.56 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 1hhv n SER 29 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1hhv n SER 30 N -2.80 0.00 -2.54 -3.46 3.41 -0.88 -4.58 113.62 102.77 1hhv n SER 30 Ca -0.02 -0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.49 1hhv n SER 30 Cb 0.08 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.03 1hhv n SER 30 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1hhv n TRP 31 N 0.00 -1.85 -3.64 7.33 4.27 -1.16 0.17 117.44 122.56 1hhv n TRP 31 Ca 0.00 -1.69 -0.08 0.00 -3.89 0.00 0.00 57.50 51.84 1hhv n TRP 31 Cb 0.00 0.66 -0.07 0.00 -1.36 0.00 0.00 31.31 30.54 1hhv n TRP 31 CO 0.00 0.00 0.00 1.52 -2.29 0.00 0.00 177.69 176.92 1hhv s TYR 32 N -3.32 -0.54 0.79 -2.67 -0.85 -0.57 0.30 117.35 110.49 1hhv s TYR 32 Ca 0.17 1.24 -0.11 0.00 -0.52 0.00 0.00 57.07 57.84 1hhv s TYR 32 Cb -0.03 0.37 0.07 0.00 0.38 0.00 0.00 41.96 42.75 1hhv s TYR 32 CO 0.12 -0.26 1.11 -1.25 -1.52 0.00 0.00 175.55 173.76 1hhv s PRO 33 N 0.54 2.04 0.51 -3.49 0.04 -1.26 -2.56 135.00 130.81 1hhv s PRO 33 Ca -0.00 1.31 0.06 0.00 0.04 0.00 0.00 61.00 62.42 1hhv s PRO 33 Cb -0.05 -1.86 0.02 0.00 0.04 0.00 0.00 34.50 32.65 1hhv s PRO 33 CO -0.08 -1.83 0.40 0.95 0.04 0.00 0.00 177.00 176.47 1hhv s THR 34 N -2.73 1.95 0.34 1.26 -4.23 -0.85 -4.88 115.64 106.50 1hhv s THR 34 Ca 0.64 -1.45 0.02 0.00 -1.18 0.00 0.00 61.69 59.71 1hhv s THR 34 Cb -0.19 -2.40 -0.03 0.00 1.34 0.00 0.00 72.50 71.22 1hhv s THR 34 CO 0.54 0.00 0.53 -0.55 -0.54 0.00 0.00 174.62 174.60 1hhv s SER 35 N -4.23 6.22 0.00 3.99 0.15 -1.26 -4.69 113.70 113.87 1hhv s SER 35 Ca 0.39 0.33 0.14 0.00 0.70 0.00 0.00 55.95 57.51 1hhv s SER 35 Cb -0.02 -1.89 0.64 0.00 -1.71 0.00 0.00 66.02 63.04 1hhv s SER 35 CO 0.24 -0.32 1.44 0.00 1.20 0.00 0.00 173.24 175.80 1hhv n GLN 36 N -1.76 1.38 -0.14 5.44 3.00 -1.26 -3.90 117.38 120.14 1hhv n GLN 36 Ca -0.04 -0.58 -0.11 0.00 -0.01 0.00 0.00 57.00 56.26 1hhv n GLN 36 Cb 0.57 -1.26 0.02 0.00 0.00 0.00 0.00 30.24 29.56 1hhv n GLN 36 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 1hhv h LEU 37 N 1.08 0.98 0.00 1.08 5.85 -2.02 -3.44 115.31 118.83 1hhv h LEU 37 Ca 0.00 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.34 1hhv h LEU 37 Cb 0.24 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1hhv h LEU 37 CO 0.00 1.16 0.00 0.00 -0.34 0.00 0.00 178.44 179.26 1hhv h SER 39 N -0.17 0.00 -3.99 0.00 0.87 -1.91 -3.44 113.55 104.91 1hhv h SER 39 Ca 0.00 0.00 -0.66 0.00 -1.23 0.00 0.00 61.79 59.90 1hhv h SER 39 Cb 0.00 0.00 -0.39 0.00 -0.44 0.00 0.00 62.40 61.57 1hhv h SER 39 CO 0.00 0.24 -0.61 -0.75 -0.53 0.00 0.00 176.83 175.18 1hhv s LYS 40 N -1.35 1.90 0.00 2.24 2.47 -1.26 -5.08 119.74 118.65 1hhv s LYS 40 Ca -0.03 -2.25 0.00 0.00 -1.56 0.00 0.00 55.97 52.13 1hhv s LYS 40 Cb 0.00 -3.38 0.00 0.00 -1.46 0.00 0.00 37.83 33.00 1hhv s LYS 40 CO 0.04 -1.06 0.00 -0.35 0.16 0.00 0.00 175.35 174.15 1hhv n PRO 41 N 3.75 -0.59 0.00 4.03 -0.04 -1.26 -4.87 135.00 136.02 1hhv n PRO 41 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1hhv n PRO 41 Cb 0.38 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.84 1hhv n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1hhv n GLY 42 N 3.31 -0.20 3.07 0.55 0.00 -1.26 -5.00 105.19 105.66 1hhv n GLY 42 Ca 0.00 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 45.09 1hhv n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hhv s VAL 43 N -3.43 1.49 0.02 1.61 1.01 -0.97 -2.00 120.40 118.13 1hhv s VAL 43 Ca 0.00 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.36 1hhv s VAL 43 Cb 0.00 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1hhv s VAL 43 CO 0.00 0.44 -0.04 0.27 0.00 0.00 0.00 175.10 175.77 1hhv s ILE 44 N 0.85 3.84 -0.05 2.22 -5.25 -1.06 -0.18 121.20 121.57 1hhv s ILE 44 Ca -0.10 -0.76 0.01 0.00 -0.99 0.00 0.00 60.65 58.81 1hhv s ILE 44 Cb -0.15 -2.71 -0.03 0.00 2.95 0.00 0.00 42.46 42.52 1hhv s ILE 44 CO 0.01 0.35 -0.05 -0.36 -1.79 0.00 0.00 174.94 173.09 1hhv s PHE 45 N -1.07 2.98 -0.17 1.37 0.08 0.42 -1.51 117.98 120.08 1hhv s PHE 45 Ca 0.19 0.04 -0.03 0.00 0.12 0.00 0.00 56.93 57.25 1hhv s PHE 45 Cb -0.11 -1.70 -0.02 0.00 -0.57 0.00 0.00 43.02 40.62 1hhv s PHE 45 CO 0.10 0.38 -0.04 -1.17 -0.10 0.00 0.00 175.22 174.38 1hhv s LEU 46 N -1.03 3.12 0.00 -0.37 2.96 0.13 0.18 118.68 123.66 1hhv s LEU 46 Ca 0.14 -0.22 0.00 0.00 -0.22 0.00 0.00 54.13 53.84 1hhv s LEU 46 Cb -0.11 -1.76 0.00 0.00 0.50 0.00 0.00 46.19 44.82 1hhv s LEU 46 CO 0.04 0.12 0.00 0.35 -1.32 0.00 0.00 176.35 175.53 1hhv n THR 47 N 3.89 0.00 0.01 3.68 -2.24 -0.28 -0.84 114.28 118.50 1hhv n THR 47 Ca -0.18 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.63 1hhv n THR 47 Cb 0.52 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.80 1hhv n THR 47 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1hhv n LYS 48 N 0.00 1.97 0.00 -0.78 5.02 -1.26 -1.83 118.16 121.29 1hhv n LYS 48 Ca 0.00 -1.46 0.00 0.00 -2.02 0.00 0.00 58.31 54.83 1hhv n LYS 48 Cb 0.00 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 1hhv n LYS 48 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1hhv n ARG 49 N 0.04 0.00 -0.56 1.97 1.74 -1.26 -5.01 116.66 113.58 1hhv n ARG 49 Ca 0.04 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.10 1hhv n ARG 49 Cb 0.27 -0.01 -0.02 0.00 -1.02 0.00 0.00 32.46 31.68 1hhv n ARG 49 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1hhv n GLY 50 N 3.66 0.41 3.71 -0.13 0.00 -1.26 -5.14 105.19 106.44 1hhv n GLY 50 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1hhv n GLY 50 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1hhv s ARG 51 N 0.00 2.75 0.24 1.61 3.52 -1.26 -4.99 118.95 120.83 1hhv s ARG 51 Ca 0.00 -0.69 0.11 0.00 -0.13 0.00 0.00 55.73 55.03 1hhv s ARG 51 Cb 0.00 -2.66 -0.05 0.00 -1.56 0.00 0.00 34.95 30.69 1hhv s ARG 51 CO 0.00 0.59 -0.18 -0.65 -0.81 0.00 0.00 175.30 174.25 1hhv s GLN 52 N -1.96 1.75 0.05 5.12 1.11 -1.26 -1.13 119.66 123.34 1hhv s GLN 52 Ca 0.24 -1.61 0.01 0.00 0.01 0.00 0.00 55.36 54.00 1hhv s GLN 52 Cb -0.12 -1.88 -0.03 0.00 -1.01 0.00 0.00 33.01 29.97 1hhv s GLN 52 CO 0.15 0.36 -0.05 0.08 0.01 0.00 0.00 175.29 175.84 1hhv s VAL 53 N -2.18 0.42 -0.11 1.09 1.01 0.47 -4.89 120.40 116.21 1hhv s VAL 53 Ca 0.27 -1.45 -0.01 0.00 0.00 0.00 0.00 61.98 60.79 1hhv s VAL 53 Cb -0.06 -1.04 0.03 0.00 0.00 0.00 0.00 36.38 35.31 1hhv s VAL 53 CO 0.14 -0.68 -0.04 0.00 0.00 0.00 0.00 175.10 174.52 1hhv s ALA 55 N 1.79 0.40 -0.09 0.00 0.00 0.75 0.30 121.76 124.90 1hhv s ALA 55 Ca 0.04 -1.12 -0.30 0.00 0.00 0.00 0.00 51.96 50.58 1hhv s ALA 55 Cb -0.13 0.49 -0.01 0.00 0.00 0.00 0.00 23.12 23.46 1hhv s ALA 55 CO -0.07 -0.44 1.01 0.34 0.00 0.00 0.00 175.76 176.60 1hhv s ASP 56 N -2.94 7.25 0.12 0.00 -1.08 -1.26 -2.28 116.67 116.48 1hhv s ASP 56 Ca 0.11 1.56 0.07 0.00 -0.52 0.00 0.00 52.55 53.77 1hhv s ASP 56 Cb 0.07 -2.56 0.39 0.00 -1.46 0.00 0.00 42.92 39.36 1hhv s ASP 56 CO -0.07 -0.43 1.18 2.29 0.52 0.00 0.00 175.17 178.65 1hhv n LYS 57 N 4.89 0.05 -0.09 4.34 0.00 -1.26 -1.15 118.16 124.94 1hhv n LYS 57 Ca 0.09 0.51 0.01 0.00 -0.00 0.00 0.00 58.31 58.92 1hhv n LYS 57 Cb 0.49 -1.71 0.05 0.00 -0.00 0.00 0.00 35.03 33.86 1hhv n LYS 57 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1hhv n SER 58 N -1.73 1.13 -4.58 -5.58 3.41 -1.26 -4.12 113.62 100.88 1hhv n SER 58 Ca -0.00 -2.07 -0.38 0.00 -0.26 0.00 0.00 58.87 56.16 1hhv n SER 58 Cb 0.07 -0.30 -0.11 0.00 -0.26 0.00 0.00 64.21 63.61 1hhv n SER 58 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1hhv s LYS 59 N -1.56 3.93 0.14 4.33 -0.14 -0.30 -4.98 119.74 121.16 1hhv s LYS 59 Ca 0.08 -0.33 -0.27 0.00 -1.36 0.00 0.00 55.97 54.08 1hhv s LYS 59 Cb 0.05 -3.64 -0.06 0.00 -1.68 0.00 0.00 37.83 32.50 1hhv s LYS 59 CO 0.04 -0.18 1.41 -0.25 -0.76 0.00 0.00 175.35 175.60 1hhv n ASP 60 N 5.05 -0.93 -0.36 2.83 9.92 -1.26 0.55 116.55 132.35 1hhv n ASP 60 Ca -0.14 1.62 0.07 0.00 -0.53 0.00 0.00 54.79 55.81 1hhv n ASP 60 Cb 0.52 -0.23 0.24 0.00 -0.64 0.00 0.00 41.12 41.00 1hhv n ASP 60 CO 0.00 0.00 0.00 4.11 0.13 0.00 0.00 177.20 181.44 1hhv h TRP 61 N 0.00 1.15 0.12 1.24 5.08 -1.96 -2.25 115.95 119.34 1hhv h TRP 61 Ca 0.14 0.03 -0.01 0.00 1.08 0.00 0.00 58.89 60.14 1hhv h TRP 61 Cb 0.36 -0.37 0.00 0.00 -3.00 0.00 0.00 29.16 26.15 1hhv h TRP 61 CO -0.96 0.47 -0.06 0.28 -1.28 0.00 0.00 178.44 176.89 1hhv h VAL 62 N 1.01 1.03 -0.83 0.12 2.07 -0.22 -2.70 116.25 116.74 1hhv h VAL 62 Ca 0.49 -0.68 0.15 0.00 0.82 0.00 0.00 66.70 67.48 1hhv h VAL 62 Cb 0.46 1.46 -0.15 0.00 -1.52 0.00 0.00 31.29 31.54 1hhv h VAL 62 CO -0.26 0.16 -0.31 0.50 0.02 0.00 0.00 177.57 177.68 1hhv h LYS 63 N -0.49 -0.05 -0.92 1.57 3.64 0.30 1.33 116.57 121.96 1hhv h LYS 63 Ca -0.02 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.47 1hhv h LYS 63 Cb 0.39 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.14 1hhv h LYS 63 CO 0.03 -0.03 0.56 -0.22 -2.27 0.00 0.00 179.45 177.51 1hhv h LYS 64 N -0.05 0.88 -1.22 1.90 3.64 -1.41 -0.53 116.57 119.78 1hhv h LYS 64 Ca 0.34 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1hhv h LYS 64 Cb 0.60 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1hhv h LYS 64 CO -0.86 0.58 0.00 1.28 -2.27 0.00 0.00 179.45 178.18 1hhv n LEU 65 N -4.67 0.00 0.00 5.20 4.77 0.46 -0.81 117.00 121.94 1hhv n LEU 65 Ca 0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1hhv n LEU 65 Cb 0.31 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1hhv n LEU 65 CO 0.27 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.33 1hhv n GLN 67 N 0.80 0.00 0.10 3.23 6.02 -0.21 0.41 117.38 127.73 1hhv n GLN 67 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.96 1hhv n GLN 67 Cb 0.00 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.21 1hhv n GLN 67 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 1hhv h GLN 68 N 0.00 0.00 -6.38 -1.09 1.08 -1.24 -3.45 115.11 104.04 1hhv h GLN 68 Ca 0.00 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.65 1hhv h GLN 68 Cb 0.00 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.39 1hhv h GLN 68 CO 0.00 0.78 -0.08 -0.51 -0.95 0.00 0.00 178.83 178.07 1hhv s LEU 69 N -6.61 4.28 -0.17 1.46 1.43 0.17 -5.05 118.68 114.19 1hhv s LEU 69 Ca 0.02 1.05 -0.24 0.00 -1.03 0.00 0.00 54.13 53.93 1hhv s LEU 69 Cb 0.09 -3.43 -0.02 0.00 0.03 0.00 0.00 46.19 42.86 1hhv s LEU 69 CO 0.79 0.04 0.75 -2.16 0.23 0.00 0.00 176.35 176.00 1hhv s PRO 70 N -2.25 4.29 -0.93 1.29 0.04 -1.26 -4.82 135.00 131.36 1hhv s PRO 70 Ca 0.41 0.87 -0.24 0.00 0.04 0.00 0.00 61.00 62.08 1hhv s PRO 70 Cb -0.14 -3.56 -0.20 0.00 0.04 0.00 0.00 34.50 30.64 1hhv s PRO 70 CO 0.20 -0.25 2.12 1.55 0.04 0.00 0.00 177.00 180.65 1hhv n VAL 71 N 4.61 0.00 -0.37 -0.36 3.14 -1.26 -3.01 118.33 121.08 1hhv n VAL 71 Ca 0.02 -0.18 -0.09 0.00 -2.96 0.00 0.00 64.34 61.13 1hhv n VAL 71 Cb 0.49 -1.79 0.08 0.00 -1.06 0.00 0.00 33.84 31.56 1hhv n VAL 71 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 1hhv n THR 72 N 8.61 0.00 -2.06 1.55 -1.04 0.87 -4.61 114.28 117.60 1hhv n THR 72 Ca 0.40 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.41 1hhv n THR 72 Cb 0.45 -0.28 0.00 0.00 -1.82 0.00 0.00 70.33 68.68 1hhv n THR 72 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1hhv n ALA 73 N -3.28 -1.89 0.00 2.41 0.00 -1.26 -4.64 120.51 111.85 1hhv n ALA 73 Ca -0.06 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1hhv n ALA 73 Cb 0.17 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1hhv n ALA 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04