#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 0.60 0.00 1.57 -0.71 -1.26 -5.09 117.98 113.09 2hcc s PHE 2 Ca 0.00 -0.96 0.00 0.00 -1.04 0.00 0.00 56.93 54.93 2hcc s PHE 2 Cb 0.00 -0.23 0.00 0.00 -1.21 0.00 0.00 43.02 41.58 2hcc s PHE 2 CO 0.00 -0.64 0.00 0.00 -1.34 0.00 0.00 175.22 173.24 2hcc n ALA 3 N -0.17 0.00 -0.97 1.99 0.00 -1.26 -4.97 120.51 115.13 2hcc n ALA 3 Ca -0.06 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.42 2hcc n ALA 3 Cb 0.63 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.06 2hcc n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hcc n ALA 4 N 7.40 -1.79 -3.18 0.00 0.00 -1.26 -5.05 120.51 116.64 2hcc n ALA 4 Ca 0.00 0.42 0.05 0.00 0.00 0.00 0.00 53.44 53.91 2hcc n ALA 4 Cb 0.00 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.35 2hcc n ALA 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2hcc s ASP 5 N -5.10 -0.32 -0.06 0.00 1.01 -1.26 -5.15 116.67 105.80 2hcc s ASP 5 Ca 0.00 0.24 -0.17 0.00 0.71 0.00 0.00 52.55 53.33 2hcc s ASP 5 Cb 0.00 1.28 -0.05 0.00 1.01 0.00 0.00 42.92 45.16 2hcc s ASP 5 CO 0.00 -0.06 0.46 0.00 0.21 0.00 0.00 175.17 175.78 2hcc n THR 8 N -0.69 0.00 -3.79 0.00 -2.24 -1.26 -4.91 114.28 101.40 2hcc n THR 8 Ca -0.04 -0.35 -0.13 0.00 -2.27 0.00 0.00 64.05 61.27 2hcc n THR 8 Cb 0.54 0.30 -0.13 0.00 -2.10 0.00 0.00 70.33 68.94 2hcc n THR 8 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2hcc s SER 9 N -4.04 -0.16 0.63 3.42 0.01 -1.26 -5.16 113.70 107.14 2hcc s SER 9 Ca -0.03 0.33 -0.01 0.00 1.31 0.00 0.00 55.95 57.54 2hcc s SER 9 Cb 0.14 0.29 0.08 0.00 0.21 0.00 0.00 66.02 66.74 2hcc s SER 9 CO 0.88 -0.09 0.52 -1.22 0.41 0.00 0.00 173.24 173.74 2hcc n TYR 10 N 3.49 -3.30 -0.94 2.43 4.01 -1.26 -4.72 117.16 116.88 2hcc n TYR 10 Ca -0.18 -0.82 -0.29 0.00 -0.16 0.00 0.00 57.90 56.45 2hcc n TYR 10 Cb 0.56 -0.38 0.23 0.00 -0.31 0.00 0.00 39.34 39.44 2hcc n TYR 10 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 2hcc s ILE 11 N -1.57 1.76 -1.15 -0.72 -0.00 0.27 -4.93 121.20 114.87 2hcc s ILE 11 Ca 0.33 0.00 0.23 0.00 -0.00 0.00 0.00 60.65 61.22 2hcc s ILE 11 Cb -0.02 -2.37 -0.07 0.00 -0.00 0.00 0.00 42.46 40.01 2hcc s ILE 11 CO 0.22 0.00 1.20 -1.54 -0.00 0.00 0.00 174.94 174.82 2hcc n SER 12 N -4.71 0.87 -3.47 4.36 3.41 -1.26 -4.98 113.62 107.84 2hcc n SER 12 Ca 0.08 -0.71 -0.14 0.00 -0.26 0.00 0.00 58.87 57.85 2hcc n SER 12 Cb 0.58 0.56 -0.05 0.00 -0.26 0.00 0.00 64.21 65.03 2hcc n SER 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hcc s GLN 13 N -2.91 1.76 0.45 4.33 -2.07 -1.26 -5.12 119.66 114.84 2hcc s GLN 13 Ca 0.12 -1.70 -0.20 0.00 -1.82 0.00 0.00 55.36 51.75 2hcc s GLN 13 Cb 0.17 0.41 -0.14 0.00 -1.09 0.00 0.00 33.01 32.37 2hcc s GLN 13 CO 0.74 -0.71 0.22 -1.13 -1.32 0.00 0.00 175.29 173.10 2hcc n SER 14 N -1.15 -2.26 -4.76 12.60 3.41 -1.26 -4.83 113.62 115.37 2hcc n SER 14 Ca 0.01 0.79 -0.41 0.00 -0.26 0.00 0.00 58.87 59.01 2hcc n SER 14 Cb 0.62 -0.98 -0.03 0.00 -0.26 0.00 0.00 64.21 63.56 2hcc n SER 14 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2hcc s ILE 15 N -1.70 3.26 -1.07 -1.33 -1.09 -1.26 -4.93 121.20 113.08 2hcc s ILE 15 Ca 0.61 1.22 -0.22 0.00 -2.23 0.00 0.00 60.65 60.03 2hcc s ILE 15 Cb -0.57 -3.78 0.03 0.00 -1.58 0.00 0.00 42.46 36.56 2hcc s ILE 15 CO 0.61 0.27 1.62 -2.16 -1.23 0.00 0.00 174.94 174.06 2hcc s PRO 16 N -1.29 3.44 0.47 2.79 0.04 -1.26 -4.79 135.00 134.39 2hcc s PRO 16 Ca 0.48 -1.18 0.13 0.00 0.04 0.00 0.00 61.00 60.46 2hcc s PRO 16 Cb -0.35 -5.34 1.08 0.00 0.04 0.00 0.00 34.50 29.93 2hcc s PRO 16 CO 0.44 -2.52 2.09 0.00 0.04 0.00 0.00 177.00 177.04 2hcc n SER 18 N -4.47 0.00 -1.25 0.00 2.88 -1.26 -2.55 113.62 106.97 2hcc n SER 18 Ca -0.01 -0.89 0.04 0.00 -1.33 0.00 0.00 58.87 56.68 2hcc n SER 18 Cb 0.12 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.62 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 -0.65 1.17 -3.84 2.46 4.77 -0.36 -5.06 117.00 115.49 2hcc n LEU 19 Ca 0.04 -2.19 -0.14 0.00 -0.03 0.00 0.00 56.01 53.69 2hcc n LEU 19 Cb 0.02 -0.08 -0.15 0.00 -2.33 0.00 0.00 43.42 40.88 2hcc n LEU 19 CO 0.03 0.61 -0.36 -0.04 -1.33 0.00 0.00 177.39 176.29 2hcc s MET 20 N -0.51 0.05 -0.12 3.23 -1.94 -1.06 -4.46 119.30 114.50 2hcc s MET 20 Ca 0.31 0.06 0.06 0.00 -1.71 0.00 0.00 55.69 54.41 2hcc s MET 20 Cb 0.35 -0.17 -0.24 0.00 2.01 0.00 0.00 34.83 36.78 2hcc s MET 20 CO -0.14 -0.06 0.36 1.17 -0.01 0.00 0.00 175.02 176.34 2hcc n LYS 21 N 3.56 0.69 -4.09 2.03 4.81 -0.35 -4.85 118.16 119.95 2hcc n LYS 21 Ca -0.19 0.22 -0.15 0.00 -0.87 0.00 0.00 58.31 57.32 2hcc n LYS 21 Cb 0.55 -1.69 -0.04 0.00 0.02 0.00 0.00 35.03 33.87 2hcc n LYS 21 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2hcc s SER 22 N -6.37 0.91 0.05 3.14 0.15 -1.04 -4.86 113.70 105.68 2hcc s SER 22 Ca -0.15 -1.48 -0.14 0.00 0.70 0.00 0.00 55.95 54.88 2hcc s SER 22 Cb 0.07 0.66 0.02 0.00 -1.71 0.00 0.00 66.02 65.06 2hcc s SER 22 CO 0.78 -1.29 0.31 -0.72 1.20 0.00 0.00 173.24 173.52 2hcc s TYR 23 N -3.09 -0.10 -0.12 3.44 -0.85 -1.26 -1.04 117.35 114.33 2hcc s TYR 23 Ca 0.31 -0.07 -0.12 0.00 -0.52 0.00 0.00 57.07 56.67 2hcc s TYR 23 Cb -0.00 0.10 0.03 0.00 0.38 0.00 0.00 41.96 42.47 2hcc s TYR 23 CO 0.20 -0.52 0.34 -0.59 -1.52 0.00 0.00 175.55 173.46 2hcc s PHE 24 N -2.72 -0.36 0.17 -3.49 -0.12 -0.57 -4.94 117.98 105.95 2hcc s PHE 24 Ca -0.04 0.86 -0.11 0.00 -0.05 0.00 0.00 56.93 57.60 2hcc s PHE 24 Cb -0.00 0.12 -0.07 0.00 -0.63 0.00 0.00 43.02 42.44 2hcc s PHE 24 CO -0.04 -0.19 0.51 -1.83 -0.05 0.00 0.00 175.22 173.61 2hcc s GLU 25 N 0.08 3.84 1.09 1.99 -1.05 -1.26 -0.95 118.70 122.43 2hcc s GLU 25 Ca -0.01 0.30 -0.18 0.00 -0.15 0.00 0.00 54.97 54.92 2hcc s GLU 25 Cb -0.03 -2.82 0.26 0.00 -0.44 0.00 0.00 34.13 31.11 2hcc s GLU 25 CO 0.01 0.43 1.12 0.25 0.95 0.00 0.00 175.26 178.01 2hcc n THR 26 N 0.39 0.00 -3.46 1.83 -2.24 -0.44 -4.94 114.28 105.42 2hcc n THR 26 Ca -0.03 -0.62 -0.30 0.00 -2.27 0.00 0.00 64.05 60.83 2hcc n THR 26 Cb 0.52 -1.33 -0.04 0.00 -2.10 0.00 0.00 70.33 67.38 2hcc n THR 26 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2hcc s SER 27 N -4.76 6.49 0.00 3.42 0.01 -1.26 -4.88 113.70 112.72 2hcc s SER 27 Ca 0.69 0.71 0.11 0.00 1.31 0.00 0.00 55.95 58.77 2hcc s SER 27 Cb -0.05 -2.14 0.50 0.00 0.21 0.00 0.00 66.02 64.54 2hcc s SER 27 CO 0.51 -0.10 1.33 -0.24 0.41 0.00 0.00 173.24 175.15 2hcc n SER 28 N -0.52 0.00 0.25 2.44 2.88 -1.26 -2.02 113.62 115.39 2hcc n SER 28 Ca -0.02 0.40 0.15 0.00 -1.33 0.00 0.00 58.87 58.07 2hcc n SER 28 Cb 0.53 -0.44 0.44 0.00 -0.75 0.00 0.00 64.21 63.99 2hcc n SER 28 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2hcc h GLU 29 N 0.00 0.00 -7.05 -1.46 4.81 -1.98 -3.45 114.58 105.45 2hcc h GLU 29 Ca 0.00 0.00 -0.49 0.00 -0.13 0.00 0.00 59.36 58.74 2hcc h GLU 29 Cb 0.17 0.00 0.05 0.00 0.63 0.00 0.00 28.75 29.59 2hcc h GLU 29 CO 0.00 0.00 0.42 0.00 -0.73 0.00 0.00 179.01 178.70 2hcc n SER 31 N -0.89 0.49 -3.69 0.00 7.64 -1.26 -4.51 113.62 111.41 2hcc n SER 31 Ca 0.09 0.71 -0.10 0.00 1.01 0.00 0.00 58.87 60.58 2hcc n SER 31 Cb 0.51 -0.78 -0.10 0.00 -1.01 0.00 0.00 64.21 62.83 2hcc n SER 31 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2hcc s LYS 32 N -3.43 0.43 0.57 1.43 2.20 -1.26 -5.16 119.74 114.51 2hcc s LYS 32 Ca -0.01 0.86 -0.10 0.00 -0.36 0.00 0.00 55.97 56.37 2hcc s LYS 32 Cb 0.06 0.02 0.14 0.00 -1.51 0.00 0.00 37.83 36.54 2hcc s LYS 32 CO 0.20 -0.16 0.56 -0.35 -0.36 0.00 0.00 175.35 175.24 2hcc n PRO 33 N 4.34 -1.71 0.00 4.03 -0.04 -1.26 -4.76 135.00 135.60 2hcc n PRO 33 Ca -0.22 -0.88 0.00 0.00 -0.04 0.00 0.00 63.50 62.36 2hcc n PRO 33 Cb 0.55 -0.76 0.00 0.00 -0.04 0.00 0.00 33.50 33.25 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 -0.60 4.50 3.43 0.55 0.00 -1.26 -4.72 105.19 107.09 2hcc n GLY 34 Ca 0.08 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 2hcc n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hcc s VAL 35 N -1.22 3.89 -0.16 1.61 0.11 -0.94 -1.33 120.40 122.36 2hcc s VAL 35 Ca 0.00 -0.33 -0.08 0.00 -2.93 0.00 0.00 61.98 58.63 2hcc s VAL 35 Cb 0.00 -2.76 -0.04 0.00 -1.53 0.00 0.00 36.38 32.05 2hcc s VAL 35 CO 0.00 0.42 0.12 -0.63 -3.33 0.00 0.00 175.10 171.68 2hcc s ILE 36 N 1.07 5.32 -0.06 7.04 1.01 -0.12 -1.58 121.20 133.88 2hcc s ILE 36 Ca 0.02 0.15 -0.14 0.00 0.00 0.00 0.00 60.65 60.68 2hcc s ILE 36 Cb -0.14 -3.38 -0.05 0.00 0.01 0.00 0.00 42.46 38.90 2hcc s ILE 36 CO 0.01 0.51 0.36 -0.36 0.00 0.00 0.00 174.94 175.46 2hcc s PHE 37 N -0.19 3.63 -0.26 3.97 0.40 -0.86 -1.51 117.98 123.16 2hcc s PHE 37 Ca 0.10 0.84 -0.13 0.00 -0.60 0.00 0.00 56.93 57.14 2hcc s PHE 37 Cb -0.12 -2.28 -0.04 0.00 0.51 0.00 0.00 43.02 41.09 2hcc s PHE 37 CO 0.01 0.52 0.26 -0.51 0.70 0.00 0.00 175.22 176.19 2hcc s LEU 38 N -0.55 4.05 0.24 -0.37 2.01 -0.21 -1.52 118.68 122.34 2hcc s LEU 38 Ca 0.21 0.15 -0.10 0.00 0.01 0.00 0.00 54.13 54.40 2hcc s LEU 38 Cb -0.15 -2.25 -0.07 0.00 0.01 0.00 0.00 46.19 43.73 2hcc s LEU 38 CO 0.10 -0.08 0.57 0.42 1.01 0.00 0.00 176.35 178.38 2hcc s THR 39 N 1.70 4.90 0.40 5.49 -4.23 -0.71 -1.21 115.64 121.98 2hcc s THR 39 Ca 0.11 0.54 0.18 0.00 -1.18 0.00 0.00 61.69 61.34 2hcc s THR 39 Cb -0.15 -3.62 0.19 0.00 1.34 0.00 0.00 72.50 70.26 2hcc s THR 39 CO 0.09 -0.08 1.96 0.50 -0.54 0.00 0.00 174.62 176.56 2hcc h LYS 40 N 2.54 0.00 0.00 3.99 3.11 -1.89 -1.64 116.57 122.67 2hcc h LYS 40 Ca -0.47 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.37 2hcc h LYS 40 Cb 1.17 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.40 2hcc h LYS 40 CO 0.69 0.22 0.00 1.63 -2.81 0.00 0.00 179.45 179.18 2hcc n LYS 41 N -4.01 0.08 -0.42 1.90 4.76 -1.26 -4.85 118.16 114.35 2hcc n LYS 41 Ca -0.02 0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.63 2hcc n LYS 41 Cb 0.30 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.99 2hcc n LYS 41 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2hcc n GLY 42 N -0.01 0.89 3.52 0.72 0.00 -0.62 -5.12 105.19 104.56 2hcc n GLY 42 Ca 0.05 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.28 1.91 -0.08 1.61 3.00 -1.23 -4.97 118.95 116.90 2hcc s ARG 43 Ca 0.00 -1.69 -0.05 0.00 -1.00 0.00 0.00 55.73 52.98 2hcc s ARG 43 Cb 0.00 0.46 0.03 0.00 0.00 0.00 0.00 34.95 35.44 2hcc s ARG 43 CO 0.00 -0.80 0.21 1.14 0.00 0.00 0.00 175.30 175.85 2hcc s GLN 44 N -3.07 0.19 0.47 5.12 -2.07 -1.26 -1.74 119.66 117.31 2hcc s GLN 44 Ca 0.29 0.40 0.06 0.00 -1.82 0.00 0.00 55.36 54.28 2hcc s GLN 44 Cb -0.01 -0.04 -0.01 0.00 -1.09 0.00 0.00 33.01 31.86 2hcc s GLN 44 CO 0.19 -0.11 0.24 0.08 -1.32 0.00 0.00 175.29 174.36 2hcc s VAL 45 N 0.78 1.92 -0.04 3.63 1.01 -0.57 -4.90 120.40 122.24 2hcc s VAL 45 Ca -0.06 -1.66 -0.02 0.00 0.00 0.00 0.00 61.98 60.25 2hcc s VAL 45 Cb -0.07 -2.58 0.03 0.00 0.00 0.00 0.00 36.38 33.76 2hcc s VAL 45 CO -0.05 0.00 0.06 0.00 0.00 0.00 0.00 175.10 175.11 2hcc s ALA 47 N 1.97 2.12 1.40 0.00 0.00 -0.61 -0.57 121.76 126.07 2hcc s ALA 47 Ca 0.02 -1.78 -0.23 0.00 0.00 0.00 0.00 51.96 49.97 2hcc s ALA 47 Cb -0.12 0.13 0.36 0.00 0.00 0.00 0.00 23.12 23.49 2hcc s ALA 47 CO -0.03 -0.05 0.96 0.15 0.00 0.00 0.00 175.76 176.79 2hcc s LYS 48 N -3.72 -2.79 0.22 0.00 1.02 -1.26 -2.21 119.74 111.00 2hcc s LYS 48 Ca 0.26 0.02 0.03 0.00 0.02 0.00 0.00 55.97 56.30 2hcc s LYS 48 Cb 0.02 -1.40 0.21 0.00 -0.52 0.00 0.00 37.83 36.14 2hcc s LYS 48 CO 0.09 -4.76 1.54 -1.00 -0.92 0.00 0.00 175.35 170.30 2hcc h PRO 49 N -3.33 0.29 -0.45 -1.68 0.13 -1.95 -3.35 132.00 121.67 2hcc h PRO 49 Ca -0.42 -0.20 -0.27 0.00 -0.87 0.00 0.00 66.00 64.24 2hcc h PRO 49 Cb 1.33 0.03 -0.40 0.00 0.13 0.00 0.00 31.00 32.09 2hcc h PRO 49 CO 0.27 0.81 -1.09 0.43 -0.23 0.00 0.00 178.00 178.19 2hcc n SER 50 N -3.88 1.88 -4.70 1.44 7.64 -1.26 -4.94 113.62 109.79 2hcc n SER 50 Ca -0.03 -2.19 -0.37 0.00 1.01 0.00 0.00 58.87 57.29 2hcc n SER 50 Cb 0.62 -0.46 0.07 0.00 -1.01 0.00 0.00 64.21 63.44 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 -0.58 0.32 3.56 0.23 0.00 -1.26 -4.83 105.19 102.64 2hcc n GLY 51 Ca 0.11 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.33 2.62 0.00 1.61 0.04 -1.26 -2.17 135.00 132.52 2hcc s PRO 52 Ca 0.81 -0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.71 2hcc s PRO 52 Cb -0.38 -4.92 0.00 0.00 0.04 0.00 0.00 34.50 29.24 2hcc s PRO 52 CO 0.42 -3.17 0.00 0.41 0.04 0.00 0.00 177.00 174.70 2hcc n GLY 53 N 6.59 1.18 0.26 0.56 0.00 -1.26 -4.68 105.19 107.83 2hcc n GLY 53 Ca 0.35 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.31 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 1.19 0.00 1.61 2.07 -1.76 -0.95 116.25 118.41 2hcc h VAL 54 Ca 0.00 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 2hcc h VAL 54 Cb 0.00 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 2hcc h VAL 54 CO 0.00 0.20 -0.18 1.56 0.02 0.00 0.00 177.57 179.17 2hcc h GLN 55 N 0.86 0.00 -0.43 1.57 7.50 -1.93 -2.05 115.11 120.64 2hcc h GLN 55 Ca 0.23 0.00 -0.13 0.00 0.50 0.00 0.00 58.65 59.24 2hcc h GLN 55 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.52 2hcc h GLN 55 CO -0.04 0.18 -0.25 0.22 -1.50 0.00 0.00 178.83 177.44 2hcc h ASP 56 N 0.00 0.96 -0.25 1.46 3.58 -1.54 0.19 116.42 120.81 2hcc h ASP 56 Ca -0.00 -0.42 -0.03 0.00 0.42 0.00 0.00 57.03 57.00 2hcc h ASP 56 Cb 0.46 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 2hcc h ASP 56 CO 0.02 1.17 0.06 0.00 -2.88 0.00 0.00 179.24 177.61 2hcc h MET 58 N 0.24 0.00 0.40 0.00 2.86 -1.32 -1.54 114.93 115.57 2hcc h MET 58 Ca 0.08 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 2hcc h MET 58 Cb 0.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.95 2hcc h MET 58 CO 0.00 0.07 -0.19 -0.22 1.06 0.00 0.00 176.91 177.63 2hcc h LYS 59 N 0.00 -0.51 0.00 1.72 3.64 -0.07 -2.72 116.57 118.63 2hcc h LYS 59 Ca -0.00 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2hcc h LYS 59 Cb 0.56 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.49 2hcc h LYS 59 CO 0.01 -0.21 -0.08 0.87 -2.27 0.00 0.00 179.45 177.77 2hcc h LYS 60 N -0.83 0.00 0.00 1.90 1.79 -1.45 -2.24 116.57 115.74 2hcc h LYS 60 Ca -0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2hcc h LYS 60 Cb 0.54 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 2hcc h LYS 60 CO 0.09 0.08 0.00 1.28 -1.08 0.00 0.00 179.45 179.82 2hcc n LEU 61 N -3.23 0.00 -4.61 2.94 4.32 -0.58 -4.81 117.00 111.03 2hcc n LEU 61 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 56.01 55.56 2hcc n LEU 61 Cb 0.34 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.11 2hcc n LEU 61 CO 0.29 0.00 1.62 -0.75 -1.22 0.00 0.00 177.39 177.33 2hcc s LYS 62 N -2.00 3.42 -0.52 3.23 2.20 -0.85 -4.91 119.74 120.32 2hcc s LYS 62 Ca 0.16 1.80 -0.28 0.00 -0.36 0.00 0.00 55.97 57.29 2hcc s LYS 62 Cb 0.07 -4.23 0.01 0.00 -1.51 0.00 0.00 37.83 32.18 2hcc s LYS 62 CO 0.12 -1.76 1.44 -1.25 -0.36 0.00 0.00 175.35 173.55 2hcc s PRO 63 N 5.61 3.34 -0.36 4.03 0.04 -1.26 -4.78 135.00 141.62 2hcc s PRO 63 Ca 0.86 0.60 0.04 0.00 0.04 0.00 0.00 61.00 62.54 2hcc s PRO 63 Cb -0.28 -4.11 0.32 0.00 0.04 0.00 0.00 34.50 30.46 2hcc s PRO 63 CO 0.34 -1.88 1.31 0.66 0.04 0.00 0.00 177.00 177.47 2hcc n TYR 64 N 9.53 -1.01 -3.36 0.56 4.01 -1.26 -5.13 117.16 120.50 2hcc n TYR 64 Ca 0.14 -1.03 -0.40 0.00 -0.16 0.00 0.00 57.90 56.45 2hcc n TYR 64 Cb 0.49 1.27 -0.09 0.00 -0.31 0.00 0.00 39.34 40.70 2hcc n TYR 64 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2hcc s SER 65 N -0.46 6.26 0.00 7.72 1.04 -1.26 -5.28 113.70 121.72 2hcc s SER 65 Ca 0.22 0.16 0.24 0.00 0.48 0.00 0.00 55.95 57.06 2hcc s SER 65 Cb 0.28 -2.22 1.45 0.00 0.10 0.00 0.00 66.02 65.63 2hcc s SER 65 CO -0.16 -0.26 1.81 0.00 0.98 0.00 0.00 173.24 175.61