#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 0.03 -2.12 -1.40 2.19 -1.26 -4.96 117.98 110.46 2hcc s PHE 2 Ca 0.00 -1.15 0.27 0.00 0.33 0.00 0.00 56.93 56.39 2hcc s PHE 2 Cb 0.00 -0.55 0.96 0.00 -1.31 0.00 0.00 43.02 42.12 2hcc s PHE 2 CO 0.00 -0.93 1.69 0.00 1.83 0.00 0.00 175.22 177.81 2hcc n ALA 3 N 4.03 2.80 -0.79 11.12 0.00 -1.26 -5.04 120.51 131.37 2hcc n ALA 3 Ca 0.13 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2hcc n ALA 3 Cb 0.43 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.28 0.00 -2.94 0.00 0.00 -1.26 -4.55 120.51 111.48 2hcc n ALA 4 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.49 2hcc n ALA 4 Cb 0.34 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.67 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 -4.00 0.10 0.20 0.00 1.01 -1.26 -4.98 116.67 107.74 2hcc s ASP 5 Ca 0.00 -0.22 -0.05 0.00 0.71 0.00 0.00 52.55 52.99 2hcc s ASP 5 Cb 0.00 0.07 -0.05 0.00 1.01 0.00 0.00 42.92 43.95 2hcc s ASP 5 CO 0.00 -0.16 0.45 0.00 0.21 0.00 0.00 175.17 175.67 2hcc n THR 8 N 2.45 0.08 -3.62 0.00 -2.24 -1.26 -4.92 114.28 104.77 2hcc n THR 8 Ca -0.12 -0.46 -0.14 0.00 -2.27 0.00 0.00 64.05 61.06 2hcc n THR 8 Cb 0.52 0.02 -0.07 0.00 -2.10 0.00 0.00 70.33 68.70 2hcc n THR 8 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2hcc s SER 9 N -4.29 -0.73 0.49 3.42 1.04 -1.26 -5.17 113.70 107.20 2hcc s SER 9 Ca -0.07 1.34 -0.03 0.00 0.48 0.00 0.00 55.95 57.67 2hcc s SER 9 Cb 0.12 1.34 -0.01 0.00 0.10 0.00 0.00 66.02 67.57 2hcc s SER 9 CO 0.80 -0.29 0.75 -0.31 0.98 0.00 0.00 173.24 175.17 2hcc s TYR 10 N 0.17 3.31 1.05 5.02 2.02 -1.26 -4.55 117.35 123.12 2hcc s TYR 10 Ca -0.01 0.47 -0.12 0.00 -0.37 0.00 0.00 57.07 57.04 2hcc s TYR 10 Cb -0.04 -2.42 0.22 0.00 -0.40 0.00 0.00 41.96 39.32 2hcc s TYR 10 CO 0.02 -0.46 1.08 0.96 -1.57 0.00 0.00 175.55 175.58 2hcc s ILE 11 N -2.71 2.09 -2.48 2.71 -0.00 0.09 -4.92 121.20 115.98 2hcc s ILE 11 Ca 0.49 0.03 0.24 0.00 -0.00 0.00 0.00 60.65 61.41 2hcc s ILE 11 Cb -0.10 -2.10 0.45 0.00 -0.00 0.00 0.00 42.46 40.71 2hcc s ILE 11 CO 0.41 -0.04 1.56 -0.24 -0.00 0.00 0.00 174.94 176.63 2hcc n SER 12 N -4.60 2.03 -1.03 4.36 2.88 -1.26 -4.96 113.62 111.03 2hcc n SER 12 Ca 0.07 -1.71 -0.00 0.00 -1.33 0.00 0.00 58.87 55.89 2hcc n SER 12 Cb 0.53 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 2hcc n SER 12 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2hcc n GLN 13 N 0.57 0.02 -1.73 -1.46 10.64 -1.26 -5.13 117.38 119.01 2hcc n GLN 13 Ca 0.17 -0.04 -0.39 0.00 -1.83 0.00 0.00 57.00 54.91 2hcc n GLN 13 Cb 0.41 0.05 0.03 0.00 -0.86 0.00 0.00 30.24 29.87 2hcc n GLN 13 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 2hcc n SER 14 N -1.46 2.67 -4.75 2.61 7.64 -1.26 -4.92 113.62 114.16 2hcc n SER 14 Ca -0.00 1.01 -0.41 0.00 1.01 0.00 0.00 58.87 60.48 2hcc n SER 14 Cb 0.01 -1.56 -0.03 0.00 -1.01 0.00 0.00 64.21 61.62 2hcc n SER 14 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2hcc s ILE 15 N -1.27 3.40 -1.05 0.44 -1.09 -1.26 -4.93 121.20 115.45 2hcc s ILE 15 Ca 0.68 1.25 -0.23 0.00 -2.23 0.00 0.00 60.65 60.13 2hcc s ILE 15 Cb -0.44 -3.80 0.04 0.00 -1.58 0.00 0.00 42.46 36.68 2hcc s ILE 15 CO 0.52 0.23 1.56 -2.16 -1.23 0.00 0.00 174.94 173.86 2hcc s PRO 16 N -0.69 3.50 0.49 2.79 0.04 -1.26 -4.80 135.00 135.06 2hcc s PRO 16 Ca 0.51 -1.14 0.15 0.00 0.04 0.00 0.00 61.00 60.56 2hcc s PRO 16 Cb -0.34 -5.35 1.16 0.00 0.04 0.00 0.00 34.50 30.02 2hcc s PRO 16 CO 0.40 -2.39 2.09 0.00 0.04 0.00 0.00 177.00 177.13 2hcc h SER 18 N 0.01 0.00 -0.72 0.00 0.87 -1.97 -2.58 113.55 109.15 2hcc h SER 18 Ca 0.00 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.29 2hcc h SER 18 Cb 0.12 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 61.92 2hcc h SER 18 CO 0.01 0.00 0.31 -0.11 -0.53 0.00 0.00 176.83 176.50 2hcc n LEU 19 N -2.79 5.87 -3.81 2.23 0.00 -0.36 -4.94 117.00 113.19 2hcc n LEU 19 Ca 0.00 -3.38 -0.12 0.00 0.00 0.00 0.00 56.01 52.52 2hcc n LEU 19 Cb 0.24 -0.74 -0.11 0.00 0.00 0.00 0.00 43.42 42.80 2hcc n LEU 19 CO 0.23 0.92 -0.13 -0.04 0.00 0.00 0.00 177.39 178.37 2hcc s MET 20 N -3.09 0.33 -0.16 1.96 1.00 -0.97 -4.44 119.30 113.92 2hcc s MET 20 Ca 0.53 0.11 0.11 0.00 0.00 0.00 0.00 55.69 56.44 2hcc s MET 20 Cb 0.44 0.15 -0.23 0.00 0.00 0.00 0.00 34.83 35.19 2hcc s MET 20 CO 0.11 -0.06 0.20 1.17 0.00 0.00 0.00 175.02 176.44 2hcc n LYS 21 N 2.52 0.68 -3.73 2.03 4.81 -0.47 -4.90 118.16 119.09 2hcc n LYS 21 Ca -0.15 0.13 -0.13 0.00 -0.87 0.00 0.00 58.31 57.28 2hcc n LYS 21 Cb 0.58 -1.61 -0.03 0.00 0.02 0.00 0.00 35.03 33.98 2hcc n LYS 21 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2hcc n SER 22 N -3.00 -1.15 -3.75 3.14 2.88 -1.09 -4.75 113.62 105.90 2hcc n SER 22 Ca -0.31 -2.71 -0.11 0.00 -1.33 0.00 0.00 58.87 54.41 2hcc n SER 22 Cb 1.09 2.18 -0.07 0.00 -0.75 0.00 0.00 64.21 66.65 2hcc n SER 22 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 2hcc s TYR 23 N -3.16 -0.10 -0.03 0.66 -0.85 -1.26 -1.09 117.35 111.52 2hcc s TYR 23 Ca 0.27 -0.05 -0.15 0.00 -0.52 0.00 0.00 57.07 56.61 2hcc s TYR 23 Cb -0.01 0.10 0.03 0.00 0.38 0.00 0.00 41.96 42.46 2hcc s TYR 23 CO 0.19 -0.51 0.33 -0.59 -1.52 0.00 0.00 175.55 173.45 2hcc s PHE 24 N -2.64 -0.23 0.04 -3.49 -0.12 -0.51 -4.93 117.98 106.10 2hcc s PHE 24 Ca -0.04 0.41 -0.16 0.00 -0.05 0.00 0.00 56.93 57.08 2hcc s PHE 24 Cb -0.01 0.11 -0.06 0.00 -0.63 0.00 0.00 43.02 42.44 2hcc s PHE 24 CO -0.04 -0.36 0.47 -1.21 -0.05 0.00 0.00 175.22 174.03 2hcc s GLU 25 N -1.07 4.02 0.09 1.99 8.01 -1.26 -1.30 118.70 129.18 2hcc s GLU 25 Ca -0.11 0.53 -0.02 0.00 0.01 0.00 0.00 54.97 55.38 2hcc s GLU 25 Cb -0.05 -3.20 0.02 0.00 -4.31 0.00 0.00 34.13 26.59 2hcc s GLU 25 CO 0.04 0.66 0.07 0.25 0.01 0.00 0.00 175.26 176.29 2hcc n THR 26 N 1.70 0.00 -3.77 3.63 -2.24 -0.70 -4.86 114.28 108.04 2hcc n THR 26 Ca -0.12 -0.02 -0.34 0.00 -2.27 0.00 0.00 64.05 61.31 2hcc n THR 26 Cb 0.52 -0.58 -0.05 0.00 -2.10 0.00 0.00 70.33 68.12 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 -1.88 6.48 0.00 3.42 0.01 -1.26 -4.90 113.70 115.56 2hcc s SER 27 Ca 0.05 0.53 0.12 0.00 1.31 0.00 0.00 55.95 57.96 2hcc s SER 27 Cb -0.01 -2.07 0.62 0.00 0.21 0.00 0.00 66.02 64.78 2hcc s SER 27 CO 0.04 0.21 1.30 -0.24 0.41 0.00 0.00 173.24 174.96 2hcc n SER 28 N 0.85 0.00 0.16 2.44 2.88 -1.26 -2.40 113.62 116.29 2hcc n SER 28 Ca -0.09 0.11 0.03 0.00 -1.33 0.00 0.00 58.87 57.58 2hcc n SER 28 Cb 0.52 -0.28 0.24 0.00 -0.75 0.00 0.00 64.21 63.94 2hcc n SER 28 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2hcc h GLU 29 N 0.00 0.00 -7.09 -1.46 4.39 -1.98 -3.45 114.58 104.99 2hcc h GLU 29 Ca 0.00 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.22 2hcc h GLU 29 Cb 0.12 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 28.81 2hcc h GLU 29 CO 0.00 0.49 0.40 0.00 -1.16 0.00 0.00 179.01 178.74 2hcc n SER 31 N -1.23 0.00 -3.63 0.00 2.88 -1.26 -4.45 113.62 105.93 2hcc n SER 31 Ca 0.10 0.35 -0.09 0.00 -1.33 0.00 0.00 58.87 57.90 2hcc n SER 31 Cb 0.52 -0.39 -0.10 0.00 -0.75 0.00 0.00 64.21 63.49 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 -2.79 0.30 0.43 -1.46 2.20 -1.26 -5.16 119.74 112.00 2hcc s LYS 32 Ca 0.04 0.94 -0.07 0.00 -0.36 0.00 0.00 55.97 56.52 2hcc s LYS 32 Cb 0.04 0.19 0.10 0.00 -1.51 0.00 0.00 37.83 36.65 2hcc s LYS 32 CO 0.09 -0.30 0.45 -0.35 -0.36 0.00 0.00 175.35 174.89 2hcc n PRO 33 N 5.38 -1.30 0.00 4.03 -0.04 -1.26 -4.38 135.00 137.44 2hcc n PRO 33 Ca -0.08 -0.71 0.00 0.00 -0.04 0.00 0.00 63.50 62.67 2hcc n PRO 33 Cb 0.50 -0.58 0.00 0.00 -0.04 0.00 0.00 33.50 33.37 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 0.51 1.84 2.99 0.55 0.00 -1.26 -4.59 105.19 105.23 2hcc n GLY 34 Ca 0.06 -1.17 -0.30 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.99 1.56 -0.18 1.61 1.01 -1.01 -1.72 120.40 119.67 2hcc s VAL 35 Ca 0.00 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 61.04 2hcc s VAL 35 Cb 0.00 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 2hcc s VAL 35 CO 0.00 0.26 0.12 -0.63 0.00 0.00 0.00 175.10 174.84 2hcc s ILE 36 N 1.45 5.28 -0.05 2.22 1.01 -0.42 -1.63 121.20 129.06 2hcc s ILE 36 Ca 0.01 0.14 -0.14 0.00 0.00 0.00 0.00 60.65 60.66 2hcc s ILE 36 Cb -0.15 -3.38 -0.05 0.00 0.01 0.00 0.00 42.46 38.89 2hcc s ILE 36 CO -0.09 0.47 0.36 -0.36 0.00 0.00 0.00 174.94 175.33 2hcc s PHE 37 N 0.13 3.66 -0.27 3.97 0.40 -0.95 -1.42 117.98 123.50 2hcc s PHE 37 Ca 0.08 0.87 -0.12 0.00 -0.60 0.00 0.00 56.93 57.16 2hcc s PHE 37 Cb -0.11 -2.27 -0.05 0.00 0.51 0.00 0.00 43.02 41.10 2hcc s PHE 37 CO -0.01 0.56 0.26 -0.51 0.70 0.00 0.00 175.22 176.22 2hcc s LEU 38 N -0.71 4.04 0.18 -0.37 1.43 -0.25 -2.18 118.68 120.82 2hcc s LEU 38 Ca 0.22 0.12 -0.08 0.00 -1.03 0.00 0.00 54.13 53.35 2hcc s LEU 38 Cb -0.15 -2.23 -0.06 0.00 0.03 0.00 0.00 46.19 43.77 2hcc s LEU 38 CO 0.11 -0.08 0.48 0.42 0.23 0.00 0.00 176.35 177.50 2hcc s THR 39 N 1.78 5.02 0.39 5.49 -4.23 -0.71 -1.37 115.64 122.02 2hcc s THR 39 Ca 0.10 0.35 0.19 0.00 -1.18 0.00 0.00 61.69 61.14 2hcc s THR 39 Cb -0.16 -3.63 0.19 0.00 1.34 0.00 0.00 72.50 70.24 2hcc s THR 39 CO 0.10 0.02 1.95 0.11 -0.54 0.00 0.00 174.62 176.26 2hcc h LYS 40 N 2.83 0.00 0.00 3.99 1.57 -1.90 -1.87 116.57 121.19 2hcc h LYS 40 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2hcc h LYS 40 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2hcc h LYS 40 CO 0.70 0.23 0.00 1.17 -0.57 0.00 0.00 179.45 180.98 2hcc n LYS 41 N -3.97 0.29 -0.75 3.15 4.81 -1.26 -4.84 118.16 115.59 2hcc n LYS 41 Ca -0.02 0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 2hcc n LYS 41 Cb 0.31 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.86 2hcc n LYS 41 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2hcc n GLY 42 N 0.01 0.89 3.53 3.14 0.00 -0.70 -5.11 105.19 106.94 2hcc n GLY 42 Ca 0.08 -0.55 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.50 1.78 -0.13 1.61 3.00 -1.23 -4.98 118.95 116.49 2hcc s ARG 43 Ca 0.00 -1.55 -0.08 0.00 -1.00 0.00 0.00 55.73 53.10 2hcc s ARG 43 Cb 0.00 0.46 0.05 0.00 0.00 0.00 0.00 34.95 35.45 2hcc s ARG 43 CO 0.00 -0.74 0.31 1.14 0.00 0.00 0.00 175.30 176.01 2hcc s GLN 44 N -3.38 0.31 0.33 5.12 -2.07 -1.26 -1.73 119.66 116.97 2hcc s GLN 44 Ca 0.27 0.59 0.08 0.00 -1.82 0.00 0.00 55.36 54.47 2hcc s GLN 44 Cb -0.00 -0.01 -0.03 0.00 -1.09 0.00 0.00 33.01 31.87 2hcc s GLN 44 CO 0.15 -0.13 0.22 0.08 -1.32 0.00 0.00 175.29 174.29 2hcc s VAL 45 N 1.02 3.42 -0.17 3.63 1.01 -0.92 -4.90 120.40 123.49 2hcc s VAL 45 Ca -0.07 -1.51 0.00 0.00 0.00 0.00 0.00 61.98 60.41 2hcc s VAL 45 Cb -0.08 -3.12 0.03 0.00 0.00 0.00 0.00 36.38 33.22 2hcc s VAL 45 CO -0.08 -0.20 -0.13 0.00 0.00 0.00 0.00 175.10 174.70 2hcc s ALA 47 N 1.46 2.99 0.91 0.00 0.00 -0.64 -0.73 121.76 125.75 2hcc s ALA 47 Ca 0.03 -1.89 -0.13 0.00 0.00 0.00 0.00 51.96 49.97 2hcc s ALA 47 Cb -0.14 -0.36 0.19 0.00 0.00 0.00 0.00 23.12 22.80 2hcc s ALA 47 CO -0.10 0.19 1.25 0.15 0.00 0.00 0.00 175.76 177.26 2hcc s LYS 48 N -3.61 0.83 0.24 0.00 1.02 -1.26 -2.40 119.74 114.55 2hcc s LYS 48 Ca 0.32 -0.60 0.04 0.00 0.02 0.00 0.00 55.97 55.75 2hcc s LYS 48 Cb -0.03 -1.96 0.26 0.00 -0.52 0.00 0.00 37.83 35.58 2hcc s LYS 48 CO 0.17 -2.22 1.57 -1.00 -0.92 0.00 0.00 175.35 172.95 2hcc h PRO 49 N -1.41 0.26 -0.51 -1.68 0.13 -1.95 -3.25 132.00 123.58 2hcc h PRO 49 Ca -0.42 -0.17 -0.38 0.00 -0.87 0.00 0.00 66.00 64.16 2hcc h PRO 49 Cb 1.24 0.02 -0.31 0.00 0.13 0.00 0.00 31.00 32.08 2hcc h PRO 49 CO 0.37 0.77 -0.75 0.43 -0.23 0.00 0.00 178.00 178.59 2hcc n SER 50 N -3.89 3.79 -4.75 1.44 7.64 -1.26 -5.00 113.62 111.58 2hcc n SER 50 Ca -0.02 -3.66 -0.41 0.00 1.01 0.00 0.00 58.87 55.78 2hcc n SER 50 Cb 0.61 -0.40 -0.03 0.00 -1.01 0.00 0.00 64.21 63.38 2hcc n SER 50 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2hcc s GLY 51 N -3.48 2.70 -0.90 0.23 0.00 -1.23 -4.89 107.32 99.75 2hcc s GLY 51 Ca 0.46 1.21 -0.24 0.00 0.00 0.00 0.00 44.72 46.14 2hcc s GLY 51 CO 0.00 2.01 1.84 2.56 0.00 0.00 0.00 173.10 179.52 2hcc s PRO 52 N -0.97 2.75 0.00 2.90 0.04 -1.26 -2.32 135.00 136.13 2hcc s PRO 52 Ca 0.53 -0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.20 2hcc s PRO 52 Cb -0.39 -5.05 0.00 0.00 0.04 0.00 0.00 34.50 29.10 2hcc s PRO 52 CO 0.46 -3.11 0.00 0.41 0.04 0.00 0.00 177.00 174.80 2hcc n GLY 53 N 6.75 1.48 0.37 0.56 0.00 -1.26 -4.57 105.19 108.52 2hcc n GLY 53 Ca 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.36 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 1.26 0.00 1.61 2.07 -1.80 -0.45 116.25 118.94 2hcc h VAL 54 Ca 0.00 -0.52 -0.07 0.00 0.82 0.00 0.00 66.70 66.93 2hcc h VAL 54 Cb 0.00 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.62 2hcc h VAL 54 CO 0.00 0.26 -0.35 1.56 0.02 0.00 0.00 177.57 179.06 2hcc h GLN 55 N 1.33 0.00 -0.38 1.57 7.50 -1.94 -2.20 115.11 120.98 2hcc h GLN 55 Ca 0.35 0.00 -0.11 0.00 0.50 0.00 0.00 58.65 59.40 2hcc h GLN 55 Cb -0.10 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.42 2hcc h GLN 55 CO -0.07 0.35 -0.17 0.22 -1.50 0.00 0.00 178.83 177.66 2hcc h ASP 56 N 0.00 0.81 -0.38 1.46 1.82 -1.49 0.17 116.42 118.82 2hcc h ASP 56 Ca -0.00 -0.40 -0.03 0.00 -0.39 0.00 0.00 57.03 56.21 2hcc h ASP 56 Cb 0.72 -0.22 -0.02 0.00 0.68 0.00 0.00 39.33 40.49 2hcc h ASP 56 CO 0.05 1.03 0.12 0.00 -1.61 0.00 0.00 179.24 178.82 2hcc h MET 58 N 0.46 0.00 0.24 0.00 2.86 -1.29 -1.91 114.93 115.29 2hcc h MET 58 Ca 0.12 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 2hcc h MET 58 Cb 0.26 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.92 2hcc h MET 58 CO -0.00 0.05 -0.12 0.87 1.06 0.00 0.00 176.91 178.77 2hcc h LYS 59 N 0.00 -0.31 0.00 1.72 1.57 0.02 -2.71 116.57 116.85 2hcc h LYS 59 Ca -0.00 0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 2hcc h LYS 59 Cb 0.58 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 2hcc h LYS 59 CO 0.01 0.01 -0.24 -0.22 -0.57 0.00 0.00 179.45 178.44 2hcc h LYS 60 N -0.65 0.00 -0.02 3.15 3.11 -1.46 -2.35 116.57 118.35 2hcc h LYS 60 Ca -0.03 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 2hcc h LYS 60 Cb 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.69 2hcc h LYS 60 CO 0.05 0.24 0.00 1.28 -2.81 0.00 0.00 179.45 178.21 2hcc n LEU 61 N -3.53 0.02 -3.81 5.20 4.32 -0.73 -4.58 117.00 113.90 2hcc n LEU 61 Ca -0.01 -0.01 -0.29 0.00 -0.02 0.00 0.00 56.01 55.68 2hcc n LEU 61 Cb 0.39 -0.01 -0.16 0.00 -1.62 0.00 0.00 43.42 42.03 2hcc n LEU 61 CO 0.33 0.00 -0.37 -0.75 -1.22 0.00 0.00 177.39 175.39 2hcc s LYS 62 N -1.98 0.99 -0.99 3.23 2.20 -0.88 -4.86 119.74 117.44 2hcc s LYS 62 Ca 0.00 -0.88 -0.23 0.00 -0.36 0.00 0.00 55.97 54.50 2hcc s LYS 62 Cb 0.00 -2.26 -0.00 0.00 -1.51 0.00 0.00 37.83 34.05 2hcc s LYS 62 CO 0.00 -0.76 1.72 -1.25 -0.36 0.00 0.00 175.35 174.71 2hcc s PRO 63 N 1.60 3.07 -0.00 4.03 0.04 -1.26 -4.55 135.00 137.92 2hcc s PRO 63 Ca 0.02 -0.80 0.00 0.00 0.04 0.00 0.00 61.00 60.26 2hcc s PRO 63 Cb -0.18 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 29.14 2hcc s PRO 63 CO -0.13 -2.86 0.62 0.98 0.04 0.00 0.00 177.00 175.64 2hcc n TYR 64 N 11.53 0.00 -3.67 0.56 4.19 -1.26 -5.11 117.16 123.41 2hcc n TYR 64 Ca 0.38 -0.08 -0.06 0.00 3.31 0.00 0.00 57.90 61.45 2hcc n TYR 64 Cb 0.49 -0.01 0.02 0.00 0.49 0.00 0.00 39.34 40.32 2hcc n TYR 64 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20 2hcc n SER 65 N -0.09 -1.68 0.00 2.98 7.64 -1.26 -5.29 113.62 115.92 2hcc n SER 65 Ca 0.00 -2.10 0.00 0.00 1.01 0.00 0.00 58.87 57.78 2hcc n SER 65 Cb 0.48 2.78 0.00 0.00 -1.01 0.00 0.00 64.21 66.47 2hcc n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03