#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hcc s PHE 2 N 0.00 3.09 -0.27 4.41 5.36 -1.26 -5.04 117.98 124.27 2hcc s PHE 2 Ca 0.00 -3.13 -0.12 0.00 -0.96 0.00 0.00 56.93 52.71 2hcc s PHE 2 Cb 0.00 -2.40 0.10 0.00 -0.34 0.00 0.00 43.02 40.38 2hcc s PHE 2 CO 0.00 -0.61 0.62 0.00 -1.46 0.00 0.00 175.22 173.77 2hcc s ALA 3 N -1.07 -1.79 0.00 11.12 0.00 -1.26 -5.00 121.76 123.76 2hcc s ALA 3 Ca 0.25 2.22 0.00 0.00 0.00 0.00 0.00 51.96 54.43 2hcc s ALA 3 Cb -0.05 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.57 2hcc s ALA 3 CO -0.15 -0.60 0.00 0.00 0.00 0.00 0.00 175.76 175.00 2hcc n ALA 4 N 4.82 0.00 -1.52 0.00 0.00 -1.26 -4.72 120.51 117.82 2hcc n ALA 4 Ca -0.16 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.06 2hcc n ALA 4 Cb 0.54 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.83 2hcc n ALA 4 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2hcc n ASP 5 N 0.00 -0.01 -4.82 0.00 9.92 -1.26 -4.66 116.55 115.73 2hcc n ASP 5 Ca 0.00 -0.82 -0.38 0.00 -0.53 0.00 0.00 54.79 53.06 2hcc n ASP 5 Cb 0.00 -1.01 -0.06 0.00 -0.64 0.00 0.00 41.12 39.41 2hcc n ASP 5 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2hcc n THR 8 N 2.42 0.00 -3.68 0.00 5.66 -1.26 -4.91 114.28 112.52 2hcc n THR 8 Ca -0.09 -0.05 -0.13 0.00 -3.05 0.00 0.00 64.05 60.73 2hcc n THR 8 Cb 0.51 1.01 -0.08 0.00 -1.55 0.00 0.00 70.33 70.22 2hcc n THR 8 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2hcc s SER 9 N -2.81 -0.62 0.64 1.09 0.01 -1.26 -5.17 113.70 105.58 2hcc s SER 9 Ca 0.08 1.17 -0.02 0.00 1.31 0.00 0.00 55.95 58.49 2hcc s SER 9 Cb 0.15 1.17 0.06 0.00 0.21 0.00 0.00 66.02 67.61 2hcc s SER 9 CO 0.78 -0.20 0.90 -0.31 0.41 0.00 0.00 173.24 174.82 2hcc s TYR 10 N 0.45 2.69 0.93 2.43 2.02 -1.26 -4.60 117.35 120.00 2hcc s TYR 10 Ca -0.01 0.13 -0.10 0.00 -0.37 0.00 0.00 57.07 56.71 2hcc s TYR 10 Cb -0.04 -2.98 0.15 0.00 -0.40 0.00 0.00 41.96 38.69 2hcc s TYR 10 CO -0.01 -1.22 1.14 0.96 -1.57 0.00 0.00 175.55 174.85 2hcc s ILE 11 N -3.02 2.03 -1.85 2.71 -0.00 -0.21 -4.91 121.20 115.96 2hcc s ILE 11 Ca 0.60 0.01 0.24 0.00 -0.00 0.00 0.00 60.65 61.50 2hcc s ILE 11 Cb -0.10 -2.02 0.11 0.00 -0.00 0.00 0.00 42.46 40.45 2hcc s ILE 11 CO 0.42 -0.01 1.31 -1.54 -0.00 0.00 0.00 174.94 175.11 2hcc n SER 12 N -4.28 1.50 -2.52 4.36 3.41 -1.26 -4.96 113.62 109.86 2hcc n SER 12 Ca 0.12 -1.18 -0.12 0.00 -0.26 0.00 0.00 58.87 57.42 2hcc n SER 12 Cb 0.52 0.33 -0.04 0.00 -0.26 0.00 0.00 64.21 64.76 2hcc n SER 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hcc n GLN 13 N -0.40 0.48 -1.68 4.33 10.64 -1.26 -5.12 117.38 124.37 2hcc n GLN 13 Ca 0.10 -1.88 -0.39 0.00 -1.83 0.00 0.00 57.00 53.01 2hcc n GLN 13 Cb 0.41 1.27 0.04 0.00 -0.86 0.00 0.00 30.24 31.10 2hcc n GLN 13 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2hcc n SER 14 N -2.02 1.87 -4.76 2.61 2.88 -1.26 -4.92 113.62 108.02 2hcc n SER 14 Ca 0.00 0.93 -0.40 0.00 -1.33 0.00 0.00 58.87 58.07 2hcc n SER 14 Cb 0.34 -1.48 -0.04 0.00 -0.75 0.00 0.00 64.21 62.28 2hcc n SER 14 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2hcc s ILE 15 N -1.35 3.25 -1.57 2.46 -1.09 -1.26 -4.91 121.20 116.73 2hcc s ILE 15 Ca 0.72 1.26 -0.10 0.00 -2.23 0.00 0.00 60.65 60.30 2hcc s ILE 15 Cb -0.44 -3.80 -0.05 0.00 -1.58 0.00 0.00 42.46 36.59 2hcc s ILE 15 CO 0.50 0.30 2.80 -0.81 -1.23 0.00 0.00 174.94 176.49 2hcc n PRO 16 N 1.08 3.68 0.28 2.79 -0.04 -1.26 -4.65 135.00 136.89 2hcc n PRO 16 Ca -0.01 -2.40 0.15 0.00 -0.04 0.00 0.00 63.50 61.20 2hcc n PRO 16 Cb 0.44 -2.85 0.81 0.00 -0.04 0.00 0.00 33.50 31.86 2hcc n PRO 16 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hcc n SER 18 N -3.49 0.00 -0.07 0.00 2.88 -1.26 -2.66 113.62 109.02 2hcc n SER 18 Ca -0.02 -0.59 0.00 0.00 -1.33 0.00 0.00 58.87 56.93 2hcc n SER 18 Cb 0.21 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 2hcc n SER 18 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2hcc n LEU 19 N -0.85 0.04 -4.74 2.46 4.32 -0.86 -5.07 117.00 112.30 2hcc n LEU 19 Ca 0.08 -0.19 -0.38 0.00 -0.02 0.00 0.00 56.01 55.50 2hcc n LEU 19 Cb 0.03 -0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 41.77 2hcc n LEU 19 CO 0.06 0.05 0.12 -0.04 -1.22 0.00 0.00 177.39 176.35 2hcc s MET 20 N -0.03 4.24 -0.05 3.23 -1.94 -1.09 -2.79 119.30 120.89 2hcc s MET 20 Ca 0.00 0.36 0.20 0.00 -1.71 0.00 0.00 55.69 54.54 2hcc s MET 20 Cb 0.00 -3.39 -0.24 0.00 2.01 0.00 0.00 34.83 33.20 2hcc s MET 20 CO 0.00 0.28 0.47 0.36 -0.01 0.00 0.00 175.02 176.12 2hcc n LYS 21 N 3.30 0.66 -3.53 2.03 2.85 0.08 -4.87 118.16 118.67 2hcc n LYS 21 Ca -0.09 -0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.14 2hcc n LYS 21 Cb 0.52 -1.61 -0.04 0.00 -0.65 0.00 0.00 35.03 33.26 2hcc n LYS 21 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2hcc s SER 22 N -5.15 -0.98 0.29 -5.58 0.15 -1.07 -5.02 113.70 96.34 2hcc s SER 22 Ca -0.07 1.27 0.02 0.00 0.70 0.00 0.00 55.95 57.86 2hcc s SER 22 Cb 0.10 2.09 -0.03 0.00 -1.71 0.00 0.00 66.02 66.46 2hcc s SER 22 CO 0.86 -0.19 0.47 -0.72 1.20 0.00 0.00 173.24 174.85 2hcc s TYR 23 N 2.77 3.48 -0.07 3.44 -0.85 -1.26 -0.89 117.35 123.96 2hcc s TYR 23 Ca -0.03 0.23 -0.14 0.00 -0.52 0.00 0.00 57.07 56.61 2hcc s TYR 23 Cb -0.10 -1.79 0.03 0.00 0.38 0.00 0.00 41.96 40.48 2hcc s TYR 23 CO -0.19 0.26 0.34 -0.59 -1.52 0.00 0.00 175.55 173.86 2hcc s PHE 24 N -2.15 -0.30 0.16 -3.49 -0.12 -0.61 -4.90 117.98 106.57 2hcc s PHE 24 Ca 0.38 0.62 -0.13 0.00 -0.05 0.00 0.00 56.93 57.75 2hcc s PHE 24 Cb -0.10 0.12 -0.07 0.00 -0.63 0.00 0.00 43.02 42.35 2hcc s PHE 24 CO 0.33 -0.30 0.54 -1.21 -0.05 0.00 0.00 175.22 174.53 2hcc s GLU 25 N -0.60 3.93 1.06 1.99 0.41 -1.26 -1.57 118.70 122.66 2hcc s GLU 25 Ca -0.07 0.42 -0.17 0.00 -0.41 0.00 0.00 54.97 54.75 2hcc s GLU 25 Cb -0.04 -2.87 0.23 0.00 -1.78 0.00 0.00 34.13 29.67 2hcc s GLU 25 CO 0.03 0.45 1.20 0.95 -0.49 0.00 0.00 175.26 177.40 2hcc s THR 26 N -1.53 1.82 0.23 3.63 -4.23 -0.72 -4.91 115.64 109.94 2hcc s THR 26 Ca 0.39 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.61 2hcc s THR 26 Cb -0.14 -2.74 -0.09 0.00 1.34 0.00 0.00 72.50 70.87 2hcc s THR 26 CO 0.19 0.00 1.16 -0.44 -0.54 0.00 0.00 174.62 174.99 2hcc s SER 27 N -4.33 7.15 0.00 3.99 0.01 -1.26 -4.85 113.70 114.41 2hcc s SER 27 Ca 0.71 2.27 0.14 0.00 1.31 0.00 0.00 55.95 60.38 2hcc s SER 27 Cb -0.08 -2.62 0.74 0.00 0.21 0.00 0.00 66.02 64.27 2hcc s SER 27 CO 0.54 -0.27 1.36 -1.54 0.41 0.00 0.00 173.24 173.74 2hcc n SER 28 N 1.82 0.00 0.24 2.44 3.41 -1.26 -2.39 113.62 117.88 2hcc n SER 28 Ca 0.02 -0.02 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 2hcc n SER 28 Cb 0.45 -0.23 0.51 0.00 -0.26 0.00 0.00 64.21 64.67 2hcc n SER 28 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2hcc h GLU 29 N 0.00 0.00 -7.02 4.33 5.08 -1.98 -3.44 114.58 111.55 2hcc h GLU 29 Ca 0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 2hcc h GLU 29 Cb 0.11 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.42 2hcc h GLU 29 CO 0.00 0.12 0.47 0.00 -1.00 0.00 0.00 179.01 178.60 2hcc n SER 31 N -0.71 0.16 -3.61 0.00 2.88 -1.26 -4.34 113.62 106.75 2hcc n SER 31 Ca 0.08 0.57 -0.12 0.00 -1.33 0.00 0.00 58.87 58.07 2hcc n SER 31 Cb 0.49 -0.59 -0.12 0.00 -0.75 0.00 0.00 64.21 63.24 2hcc n SER 31 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2hcc s LYS 32 N -3.14 0.22 0.61 -1.46 2.20 -1.26 -5.15 119.74 111.76 2hcc s LYS 32 Ca 0.01 0.75 -0.10 0.00 -0.36 0.00 0.00 55.97 56.26 2hcc s LYS 32 Cb 0.03 -0.10 0.15 0.00 -1.51 0.00 0.00 37.83 36.41 2hcc s LYS 32 CO 0.10 -0.35 0.54 -0.35 -0.36 0.00 0.00 175.35 174.93 2hcc n PRO 33 N 5.36 -2.09 0.00 4.03 -0.04 -1.26 -4.73 135.00 136.27 2hcc n PRO 33 Ca -0.06 -0.87 0.00 0.00 -0.04 0.00 0.00 63.50 62.53 2hcc n PRO 33 Cb 0.50 -0.82 0.00 0.00 -0.04 0.00 0.00 33.50 33.14 2hcc n PRO 33 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2hcc n GLY 34 N -1.15 1.79 3.04 0.55 0.00 -1.26 -4.74 105.19 103.41 2hcc n GLY 34 Ca 0.08 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 44.95 2hcc n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hcc s VAL 35 N -2.00 1.55 -0.21 1.61 1.01 -0.71 -1.75 120.40 119.89 2hcc s VAL 35 Ca 0.00 -0.65 -0.07 0.00 0.00 0.00 0.00 61.98 61.26 2hcc s VAL 35 Cb 0.00 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 2hcc s VAL 35 CO 0.00 0.45 0.07 -0.63 0.00 0.00 0.00 175.10 174.99 2hcc s ILE 36 N 1.20 4.62 0.02 2.22 1.01 -0.61 -0.67 121.20 128.98 2hcc s ILE 36 Ca -0.02 -0.08 -0.19 0.00 0.00 0.00 0.00 60.65 60.36 2hcc s ILE 36 Cb -0.14 -3.11 -0.06 0.00 0.01 0.00 0.00 42.46 39.16 2hcc s ILE 36 CO -0.05 0.41 0.54 -0.36 0.00 0.00 0.00 174.94 175.48 2hcc s PHE 37 N 0.81 3.72 -0.27 3.97 0.08 -0.84 -1.57 117.98 123.89 2hcc s PHE 37 Ca 0.04 1.17 -0.11 0.00 0.12 0.00 0.00 56.93 58.15 2hcc s PHE 37 Cb -0.14 -2.51 -0.05 0.00 -0.57 0.00 0.00 43.02 39.76 2hcc s PHE 37 CO 0.02 0.48 0.17 -1.17 -0.10 0.00 0.00 175.22 174.62 2hcc s LEU 38 N -0.62 3.98 0.23 -0.37 1.98 -0.07 -1.87 118.68 121.94 2hcc s LEU 38 Ca 0.29 -0.01 -0.08 0.00 -2.89 0.00 0.00 54.13 51.44 2hcc s LEU 38 Cb -0.18 -2.10 -0.06 0.00 0.66 0.00 0.00 46.19 44.51 2hcc s LEU 38 CO 0.17 -0.03 0.52 0.42 -1.89 0.00 0.00 176.35 175.54 2hcc s THR 39 N 1.62 4.99 0.41 3.68 -4.23 -0.72 -0.74 115.64 120.65 2hcc s THR 39 Ca 0.07 0.30 0.16 0.00 -1.18 0.00 0.00 61.69 61.04 2hcc s THR 39 Cb -0.15 -3.64 0.17 0.00 1.34 0.00 0.00 72.50 70.22 2hcc s THR 39 CO 0.09 -0.11 1.95 0.50 -0.54 0.00 0.00 174.62 176.51 2hcc h LYS 40 N 2.39 0.00 0.00 3.99 3.64 -1.85 -1.64 116.57 123.10 2hcc h LYS 40 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2hcc h LYS 40 Cb 1.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2hcc h LYS 40 CO 0.69 0.23 0.00 1.17 -2.27 0.00 0.00 179.45 179.27 2hcc n LYS 41 N -4.12 0.38 -1.25 1.90 0.00 -1.26 -4.84 118.16 108.97 2hcc n LYS 41 Ca -0.02 0.07 0.00 0.00 0.00 0.00 0.00 58.31 58.35 2hcc n LYS 41 Cb 0.30 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.83 2hcc n LYS 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2hcc n GLY 42 N 0.06 0.83 3.18 3.14 0.00 -0.62 -5.09 105.19 106.69 2hcc n GLY 42 Ca 0.10 -0.39 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 2hcc n GLY 42 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hcc s ARG 43 N -2.81 0.29 0.20 1.61 3.52 -1.24 -4.98 118.95 115.53 2hcc s ARG 43 Ca 0.00 0.84 -0.07 0.00 -0.13 0.00 0.00 55.73 56.37 2hcc s ARG 43 Cb 0.00 0.09 -0.06 0.00 -1.56 0.00 0.00 34.95 33.42 2hcc s ARG 43 CO 0.00 -0.22 0.47 1.14 -0.81 0.00 0.00 175.30 175.88 2hcc s GLN 44 N 2.07 3.69 0.10 5.12 -2.07 -1.26 -1.75 119.66 125.56 2hcc s GLN 44 Ca -0.04 0.07 0.06 0.00 -1.82 0.00 0.00 55.36 53.63 2hcc s GLN 44 Cb -0.11 -2.74 -0.03 0.00 -1.09 0.00 0.00 33.01 29.04 2hcc s GLN 44 CO -0.11 0.37 -0.16 0.08 -1.32 0.00 0.00 175.29 174.15 2hcc s VAL 45 N -1.79 1.36 -0.18 3.63 1.01 -0.78 -4.94 120.40 118.71 2hcc s VAL 45 Ca 0.44 -1.54 -0.08 0.00 0.00 0.00 0.00 61.98 60.80 2hcc s VAL 45 Cb -0.11 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 2hcc s VAL 45 CO 0.24 -0.26 0.09 0.00 0.00 0.00 0.00 175.10 175.17 2hcc s ALA 47 N 0.23 0.96 1.33 0.00 0.00 0.15 -1.04 121.76 123.39 2hcc s ALA 47 Ca 0.06 -1.10 -0.21 0.00 0.00 0.00 0.00 51.96 50.71 2hcc s ALA 47 Cb -0.12 0.05 0.33 0.00 0.00 0.00 0.00 23.12 23.38 2hcc s ALA 47 CO -0.00 -0.06 1.00 0.15 0.00 0.00 0.00 175.76 176.85 2hcc s LYS 48 N -2.62 -2.22 0.13 0.00 1.02 -1.26 -1.74 119.74 113.04 2hcc s LYS 48 Ca 0.02 0.11 -0.11 0.00 0.02 0.00 0.00 55.97 56.01 2hcc s LYS 48 Cb -0.04 -1.46 -0.09 0.00 -0.52 0.00 0.00 37.83 35.72 2hcc s LYS 48 CO -0.01 -4.41 1.40 -1.00 -0.92 0.00 0.00 175.35 170.41 2hcc h PRO 49 N -3.08 0.86 -0.26 -1.68 0.13 -1.92 -3.35 132.00 122.69 2hcc h PRO 49 Ca -0.45 -0.56 -0.23 0.00 -0.87 0.00 0.00 66.00 63.88 2hcc h PRO 49 Cb 1.32 0.07 -0.36 0.00 0.13 0.00 0.00 31.00 32.17 2hcc h PRO 49 CO 0.32 1.20 -1.00 0.43 -0.23 0.00 0.00 178.00 178.71 2hcc n SER 50 N -3.99 1.73 -4.24 1.44 7.64 -1.26 -4.83 113.62 110.11 2hcc n SER 50 Ca -0.05 -2.37 -0.37 0.00 1.01 0.00 0.00 58.87 57.09 2hcc n SER 50 Cb 0.65 -0.40 0.04 0.00 -1.01 0.00 0.00 64.21 63.48 2hcc n SER 50 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hcc n GLY 51 N -0.25 -3.18 3.56 0.23 0.00 -1.26 -4.68 105.19 99.61 2hcc n GLY 51 Ca 0.12 -0.44 -0.28 0.00 0.00 0.00 0.00 46.02 45.41 2hcc n GLY 51 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2hcc s PRO 52 N -1.85 2.48 0.00 1.61 0.04 -1.26 -2.06 135.00 133.95 2hcc s PRO 52 Ca 0.54 -0.00 0.00 0.00 0.04 0.00 0.00 61.00 61.58 2hcc s PRO 52 Cb -0.35 -4.89 0.00 0.00 0.04 0.00 0.00 34.50 29.30 2hcc s PRO 52 CO 0.69 -3.34 0.00 0.41 0.04 0.00 0.00 177.00 174.80 2hcc n GLY 53 N 6.60 2.71 0.19 0.56 0.00 -1.26 -4.95 105.19 109.03 2hcc n GLY 53 Ca 0.37 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.30 2hcc n GLY 53 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2hcc h VAL 54 N 0.00 1.16 0.00 1.61 2.07 -1.73 -0.73 116.25 118.63 2hcc h VAL 54 Ca 0.00 -0.41 -0.08 0.00 0.82 0.00 0.00 66.70 67.03 2hcc h VAL 54 Cb 0.00 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2hcc h VAL 54 CO 0.00 0.16 -0.39 -0.61 0.02 0.00 0.00 177.57 176.76 2hcc h GLN 55 N 0.53 0.00 -0.31 1.57 5.75 -1.88 -2.19 115.11 118.58 2hcc h GLN 55 Ca 0.14 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.55 2hcc h GLN 55 Cb 0.07 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 2hcc h GLN 55 CO -0.02 0.39 -0.20 0.22 -2.65 0.00 0.00 178.83 176.57 2hcc h ASP 56 N 0.00 0.57 -0.20 -0.69 3.58 -1.66 0.08 116.42 118.09 2hcc h ASP 56 Ca -0.00 -0.18 -0.03 0.00 0.42 0.00 0.00 57.03 57.24 2hcc h ASP 56 Cb 0.70 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.59 2hcc h ASP 56 CO 0.05 0.77 0.02 0.00 -2.88 0.00 0.00 179.24 177.21 2hcc h MET 58 N 0.12 0.00 -0.02 0.00 2.86 -1.28 -2.22 114.93 114.39 2hcc h MET 58 Ca 0.06 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2hcc h MET 58 Cb 0.34 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 2hcc h MET 58 CO 0.01 0.16 0.00 -0.22 1.06 0.00 0.00 176.91 177.92 2hcc h LYS 59 N 0.00 0.03 0.00 1.72 3.64 -0.44 -2.61 116.57 118.90 2hcc h LYS 59 Ca -0.00 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 2hcc h LYS 59 Cb 0.54 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 2hcc h LYS 59 CO 0.02 0.29 -0.24 0.87 -2.27 0.00 0.00 179.45 178.13 2hcc h LYS 60 N -0.23 0.00 0.00 1.90 1.79 -1.30 -2.28 116.57 116.44 2hcc h LYS 60 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2hcc h LYS 60 Cb 0.28 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 2hcc h LYS 60 CO 0.00 0.24 0.00 1.28 -1.08 0.00 0.00 179.45 179.89 2hcc n LEU 61 N -3.54 0.00 -4.66 2.94 4.32 -0.85 -4.78 117.00 110.43 2hcc n LEU 61 Ca -0.01 0.00 -0.43 0.00 -0.02 0.00 0.00 56.01 55.56 2hcc n LEU 61 Cb 0.39 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.17 2hcc n LEU 61 CO 0.33 0.00 1.29 -0.75 -1.22 0.00 0.00 177.39 177.05 2hcc s LYS 62 N -2.00 4.14 0.15 3.23 2.47 -0.86 -4.91 119.74 121.96 2hcc s LYS 62 Ca 0.26 1.97 -0.03 0.00 -1.56 0.00 0.00 55.97 56.62 2hcc s LYS 62 Cb 0.12 -3.94 0.04 0.00 -1.46 0.00 0.00 37.83 32.59 2hcc s LYS 62 CO 0.20 -0.88 0.17 -0.35 0.16 0.00 0.00 175.35 174.65 2hcc n PRO 63 N 7.07 -0.76 -3.07 4.03 -0.04 -1.26 -4.12 135.00 136.86 2hcc n PRO 63 Ca 0.17 -0.26 -0.17 0.00 -0.04 0.00 0.00 63.50 63.19 2hcc n PRO 63 Cb 0.44 -0.21 -0.01 0.00 -0.04 0.00 0.00 33.50 33.68 2hcc n PRO 63 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2hcc n TYR 64 N -2.55 -1.69 -0.73 0.54 4.01 -1.26 -4.87 117.16 110.60 2hcc n TYR 64 Ca 0.02 0.27 -0.33 0.00 -0.16 0.00 0.00 57.90 57.70 2hcc n TYR 64 Cb 0.08 -2.26 0.15 0.00 -0.31 0.00 0.00 39.34 36.99 2hcc n TYR 64 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2hcc n SER 65 N -1.99 -2.43 0.00 7.72 3.41 -1.26 -5.30 113.62 113.77 2hcc n SER 65 Ca -0.02 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2hcc n SER 65 Cb 0.54 -1.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 2hcc n SER 65 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50