#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 0.96 -0.21 4.41 5.36 -1.26 -5.11 117.98 122.14 2hcc s PHE 2 Ca 0.00 -2.20 -0.07 0.00 -0.96 0.00 0.00 56.93 53.70 2hcc s PHE 2 Cb 0.00 -0.88 -0.03 0.00 -0.34 0.00 0.00 43.02 41.77 2hcc s PHE 2 CO 0.00 -0.84 0.05 0.00 -1.46 0.00 0.00 175.22 172.97 2hcc s ALA 3 N 0.20 3.21 0.00 11.12 0.00 -1.26 -4.92 121.76 130.12 2hcc s ALA 3 Ca 0.31 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.33 2hcc s ALA 3 Cb 0.01 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 21.20 2hcc s ALA 3 CO -0.17 -0.13 0.31 0.00 0.00 0.00 0.00 175.76 175.77 2hcc n ALA 4 N 4.18 0.62 -1.58 0.00 0.00 -1.26 -4.52 120.51 117.96 2hcc n ALA 4 Ca -0.16 -0.31 -0.25 0.00 0.00 0.00 0.00 53.44 52.72 2hcc n ALA 4 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.92 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 0.00 4.18 0.59 0.00 1.01 -1.26 -4.88 116.67 116.31 2hcc s ASP 5 Ca 0.00 0.53 0.01 0.00 0.71 0.00 0.00 52.55 53.80 2hcc s ASP 5 Cb 0.00 -2.53 0.05 0.00 1.01 0.00 0.00 42.92 41.46 2hcc s ASP 5 CO 0.00 -3.37 0.83 0.00 0.21 0.00 0.00 175.17 172.83 2hcc n THR 8 N 2.25 0.16 -4.10 0.00 5.66 -1.26 -4.76 114.28 112.23 2hcc n THR 8 Ca -0.17 -0.52 -0.05 0.00 -3.05 0.00 0.00 64.05 60.27 2hcc n THR 8 Cb 0.57 -0.04 -0.01 0.00 -1.55 0.00 0.00 70.33 69.30 2hcc n THR 8 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2hcc n SER 9 N -2.28 1.74 -1.08 1.09 2.88 -1.26 -5.14 113.62 109.56 2hcc n SER 9 Ca -0.07 -1.34 -0.01 0.00 -1.33 0.00 0.00 58.87 56.12 2hcc n SER 9 Cb 0.61 0.10 -0.00 0.00 -0.75 0.00 0.00 64.21 64.17 2hcc n SER 9 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2hcc n TYR 10 N -0.17 -0.41 -1.02 0.66 4.01 -1.26 -4.62 117.16 114.34 2hcc n TYR 10 Ca -0.02 -0.09 -0.29 0.00 -0.16 0.00 0.00 57.90 57.33 2hcc n TYR 10 Cb 0.10 0.02 0.22 0.00 -0.31 0.00 0.00 39.34 39.36 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 -2.39 1.80 -1.47 -0.72 -0.00 0.92 -4.94 121.20 114.40 2hcc s ILE 11 Ca 0.01 0.00 0.22 0.00 -0.00 0.00 0.00 60.65 60.88 2hcc s ILE 11 Cb -0.00 -2.42 -0.10 0.00 -0.00 0.00 0.00 42.46 39.94 2hcc s ILE 11 CO 0.01 0.00 1.03 -1.54 -0.00 0.00 0.00 174.94 174.44 2hcc n SER 12 N -4.59 1.41 -1.57 4.36 3.41 -1.26 -4.99 113.62 110.39 2hcc n SER 12 Ca 0.08 -1.18 -0.05 0.00 -0.26 0.00 0.00 58.87 57.47 2hcc n SER 12 Cb 0.58 0.71 -0.02 0.00 -0.26 0.00 0.00 64.21 65.22 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 -0.84 0.13 -1.05 4.33 10.64 -1.26 -5.13 117.38 124.19 2hcc n GLN 13 Ca 0.07 -0.84 -0.34 0.00 -1.83 0.00 0.00 57.00 54.06 2hcc n GLN 13 Cb 0.39 0.72 0.12 0.00 -0.86 0.00 0.00 30.24 30.61 2hcc n GLN 13 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 2hcc n SER 14 N -2.47 0.28 -4.74 2.61 3.41 -1.26 -4.89 113.62 106.56 2hcc n SER 14 Ca 0.02 0.54 -0.41 0.00 -0.26 0.00 0.00 58.87 58.75 2hcc n SER 14 Cb 0.16 -1.43 -0.03 0.00 -0.26 0.00 0.00 64.21 62.65 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 -2.17 3.45 -1.25 -1.33 -1.09 -1.26 -4.92 121.20 112.63 2hcc s ILE 15 Ca 0.70 1.20 -0.18 0.00 -2.23 0.00 0.00 60.65 60.14 2hcc s ILE 15 Cb -0.28 -3.77 0.08 0.00 -1.58 0.00 0.00 42.46 36.91 2hcc s ILE 15 CO 0.54 0.18 1.66 -2.16 -1.23 0.00 0.00 174.94 173.93 2hcc s PRO 16 N -0.11 3.96 0.54 2.79 0.04 -1.26 -4.78 135.00 136.17 2hcc s PRO 16 Ca 0.55 -1.99 0.27 0.00 0.04 0.00 0.00 61.00 59.87 2hcc s PRO 16 Cb -0.34 -5.44 1.52 0.00 0.04 0.00 0.00 34.50 30.28 2hcc s PRO 16 CO 0.37 -2.18 2.12 0.00 0.04 0.00 0.00 177.00 177.35 2hcc n SER 18 N -3.74 0.00 -1.11 0.00 7.64 -1.26 -2.27 113.62 112.87 2hcc n SER 18 Ca -0.02 -0.36 0.05 0.00 1.01 0.00 0.00 58.87 59.55 2hcc n SER 18 Cb 0.20 -0.03 0.09 0.00 -1.01 0.00 0.00 64.21 63.46 2hcc n SER 18 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2hcc n LEU 19 N -1.03 1.66 -3.84 -3.43 7.99 -0.50 -5.05 117.00 112.78 2hcc n LEU 19 Ca 0.10 -2.73 -0.12 0.00 -0.01 0.00 0.00 56.01 53.25 2hcc n LEU 19 Cb 0.05 -0.21 -0.12 0.00 -0.11 0.00 0.00 43.42 43.03 2hcc n LEU 19 CO 0.08 0.85 -0.20 -0.04 -1.51 0.00 0.00 177.39 176.57 2hcc s MET 20 N -1.29 0.26 -0.10 3.23 1.00 -0.96 -4.53 119.30 116.90 2hcc s MET 20 Ca 0.35 0.02 0.16 0.00 0.00 0.00 0.00 55.69 56.21 2hcc s MET 20 Cb 0.37 0.11 -0.23 0.00 0.00 0.00 0.00 34.83 35.08 2hcc s MET 20 CO -0.12 -0.05 0.40 0.36 0.00 0.00 0.00 175.02 175.61 2hcc n LYS 21 N 2.55 0.66 -2.75 2.03 2.85 -0.38 -4.90 118.16 118.21 2hcc n LYS 21 Ca -0.16 0.13 -0.07 0.00 -1.05 0.00 0.00 58.31 57.16 2hcc n LYS 21 Cb 0.58 -1.66 -0.00 0.00 -0.65 0.00 0.00 35.03 33.30 2hcc n LYS 21 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2hcc n SER 22 N -2.86 -0.95 -3.75 -5.58 2.88 -1.08 -4.91 113.62 97.37 2hcc n SER 22 Ca -0.23 -1.98 -0.11 0.00 -1.33 0.00 0.00 58.87 55.22 2hcc n SER 22 Cb 1.06 1.67 -0.07 0.00 -0.75 0.00 0.00 64.21 66.12 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 -4.41 -0.08 -0.06 0.66 -0.85 -1.26 -0.98 117.35 110.37 2hcc s TYR 23 Ca 0.13 -0.12 -0.14 0.00 -0.52 0.00 0.00 57.07 56.42 2hcc s TYR 23 Cb -0.01 0.10 0.03 0.00 0.38 0.00 0.00 41.96 42.45 2hcc s TYR 23 CO 0.10 -0.54 0.33 -0.59 -1.52 0.00 0.00 175.55 173.33 2hcc s PHE 24 N -2.90 -0.27 0.16 -3.49 -0.12 -0.55 -4.91 117.98 105.89 2hcc s PHE 24 Ca -0.02 0.54 -0.13 0.00 -0.05 0.00 0.00 56.93 57.27 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 -0.06 -0.32 0.53 -1.83 -0.05 0.00 0.00 175.22 173.50 2hcc s GLU 25 N -0.75 3.91 0.59 1.99 4.04 -1.26 -1.67 118.70 125.55 2hcc s GLU 25 Ca -0.08 0.40 -0.10 0.00 0.04 0.00 0.00 54.97 55.23 2hcc s GLU 25 Cb -0.04 -2.88 0.15 0.00 0.02 0.00 0.00 34.13 31.38 2hcc s GLU 25 CO 0.03 0.45 0.53 0.25 -1.84 0.00 0.00 175.26 174.68 2hcc n THR 26 N 0.61 0.00 -3.71 1.83 -2.24 -0.41 -4.96 114.28 105.40 2hcc n THR 26 Ca -0.04 -0.23 -0.34 0.00 -2.27 0.00 0.00 64.05 61.16 2hcc n THR 26 Cb 0.52 -1.11 -0.05 0.00 -2.10 0.00 0.00 70.33 67.59 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 -2.93 6.53 0.00 3.42 0.01 -1.26 -4.90 113.70 114.57 2hcc s SER 27 Ca 0.34 0.61 0.12 0.00 1.31 0.00 0.00 55.95 58.33 2hcc s SER 27 Cb -0.03 -2.11 0.61 0.00 0.21 0.00 0.00 66.02 64.70 2hcc s SER 27 CO 0.26 0.21 1.31 -1.20 0.41 0.00 0.00 173.24 174.24 2hcc n SER 28 N 0.95 0.00 0.21 2.44 7.64 -1.26 -2.25 113.62 121.35 2hcc n SER 28 Ca -0.09 0.16 0.10 0.00 1.01 0.00 0.00 58.87 60.04 2hcc n SER 28 Cb 0.52 -0.31 0.37 0.00 -1.01 0.00 0.00 64.21 63.78 2hcc n SER 28 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2hcc h GLU 29 N 0.00 0.00 -7.16 1.43 4.81 -1.97 -3.45 114.58 108.25 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 0.13 0.00 0.07 0.00 0.63 0.00 0.00 28.75 29.57 2hcc h GLU 29 CO 0.00 0.22 0.39 0.00 -0.73 0.00 0.00 179.01 178.88 2hcc h SER 31 N 0.67 0.00 -3.63 0.00 4.64 -1.90 -3.41 113.55 109.92 2hcc h SER 31 Ca -0.48 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.68 2hcc h SER 31 Cb 1.23 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.05 2hcc h SER 31 CO 0.57 0.00 -0.40 -0.54 -0.87 0.00 0.00 176.83 175.59 2hcc s LYS 32 N -4.24 0.30 0.15 4.77 1.02 -1.26 -5.16 119.74 115.32 2hcc s LYS 32 Ca -0.05 0.48 -0.02 0.00 0.02 0.00 0.00 55.97 56.40 2hcc s LYS 32 Cb 0.13 0.06 0.04 0.00 -0.52 0.00 0.00 37.83 37.54 2hcc s LYS 32 CO 0.44 -0.09 0.15 -0.35 -0.92 0.00 0.00 175.35 174.58 2hcc n PRO 33 N 3.45 -0.85 0.00 -1.68 -0.04 -1.26 -4.49 135.00 130.14 2hcc n PRO 33 Ca -0.18 -0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.04 2hcc n PRO 33 Cb 0.56 -0.20 0.00 0.00 -0.04 0.00 0.00 33.50 33.83 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 2.46 3.98 3.44 0.55 0.00 -1.26 -4.37 105.19 109.99 2hcc n GLY 34 Ca 0.02 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.01 4.21 -0.11 1.61 1.01 -0.69 -1.29 120.40 124.12 2hcc s VAL 35 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 2hcc s VAL 35 Cb 0.00 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 2hcc s VAL 35 CO 0.00 0.36 -0.06 -0.63 0.00 0.00 0.00 175.10 174.77 2hcc s ILE 36 N 1.48 3.73 -0.01 2.22 1.01 -0.67 -1.46 121.20 127.50 2hcc s ILE 36 Ca 0.06 -0.44 -0.15 0.00 0.00 0.00 0.00 60.65 60.11 2hcc s ILE 36 Cb -0.15 -2.58 -0.06 0.00 0.01 0.00 0.00 42.46 39.69 2hcc s ILE 36 CO 0.03 0.54 0.42 -0.36 0.00 0.00 0.00 174.94 175.57 2hcc s PHE 37 N -0.15 3.71 -0.27 3.97 0.40 -0.92 -1.48 117.98 123.24 2hcc s PHE 37 Ca 0.02 0.99 -0.14 0.00 -0.60 0.00 0.00 56.93 57.20 2hcc s PHE 37 Cb -0.13 -2.32 -0.04 0.00 0.51 0.00 0.00 43.02 41.04 2hcc s PHE 37 CO 0.03 0.59 0.31 -0.51 0.70 0.00 0.00 175.22 176.34 2hcc s LEU 38 N -0.90 4.04 -0.02 -0.37 1.43 -0.15 -2.35 118.68 120.36 2hcc s LEU 38 Ca 0.24 0.20 -0.12 0.00 -1.03 0.00 0.00 54.13 53.41 2hcc s LEU 38 Cb -0.17 -2.33 -0.05 0.00 0.03 0.00 0.00 46.19 43.68 2hcc s LEU 38 CO 0.13 -0.13 0.34 0.42 0.23 0.00 0.00 176.35 177.34 2hcc s THR 39 N 1.93 5.15 0.36 5.49 -4.23 -0.79 -1.25 115.64 122.30 2hcc s THR 39 Ca 0.12 0.64 0.32 0.00 -1.18 0.00 0.00 61.69 61.59 2hcc s THR 39 Cb -0.16 -3.63 0.34 0.00 1.34 0.00 0.00 72.50 70.39 2hcc s THR 39 CO 0.10 0.56 2.08 0.50 -0.54 0.00 0.00 174.62 177.32 2hcc h LYS 40 N 4.66 0.00 0.00 3.99 3.64 -1.89 -1.80 116.57 125.17 2hcc h LYS 40 Ca -0.52 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 2hcc h LYS 40 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 2hcc h LYS 40 CO 0.61 0.08 0.00 1.63 -2.27 0.00 0.00 179.45 179.50 2hcc n LYS 41 N -3.38 0.31 -0.86 1.90 5.02 -1.26 -4.83 118.16 115.06 2hcc n LYS 41 Ca -0.01 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 2hcc n LYS 41 Cb 0.24 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 2hcc n LYS 41 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2hcc n GLY 42 N 0.08 0.70 3.53 0.72 0.00 -0.68 -5.11 105.19 104.43 2hcc n GLY 42 Ca 0.09 -0.40 -0.11 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.99 1.64 -0.08 1.61 6.06 -1.22 -5.01 118.95 119.97 2hcc s ARG 43 Ca 0.00 -1.44 -0.06 0.00 -2.50 0.00 0.00 55.73 51.73 2hcc s ARG 43 Cb 0.00 0.45 0.03 0.00 0.06 0.00 0.00 34.95 35.49 2hcc s ARG 43 CO 0.00 -0.68 0.19 -0.65 -2.50 0.00 0.00 175.30 171.67 2hcc s GLN 44 N -3.69 0.20 0.17 5.12 -0.21 -1.26 -1.88 119.66 118.10 2hcc s GLN 44 Ca 0.26 0.33 0.06 0.00 0.02 0.00 0.00 55.36 56.03 2hcc s GLN 44 Cb 0.00 0.02 -0.04 0.00 1.00 0.00 0.00 33.01 33.99 2hcc s GLN 44 CO 0.13 -0.07 0.06 0.08 -2.12 0.00 0.00 175.29 173.36 2hcc s VAL 45 N 0.49 4.06 -0.15 1.09 1.01 -0.99 -4.92 120.40 120.99 2hcc s VAL 45 Ca -0.03 -1.26 0.02 0.00 0.00 0.00 0.00 61.98 60.70 2hcc s VAL 45 Cb -0.05 -3.05 0.01 0.00 0.00 0.00 0.00 36.38 33.29 2hcc s VAL 45 CO -0.02 -0.10 -0.21 0.00 0.00 0.00 0.00 175.10 174.77 2hcc s ALA 47 N 0.95 1.08 1.27 0.00 0.00 -0.53 -0.06 121.76 124.47 2hcc s ALA 47 Ca -0.04 -1.25 -0.19 0.00 0.00 0.00 0.00 51.96 50.48 2hcc s ALA 47 Cb -0.15 0.07 0.30 0.00 0.00 0.00 0.00 23.12 23.34 2hcc s ALA 47 CO -0.05 -0.11 0.67 1.63 0.00 0.00 0.00 175.76 177.91 2hcc n LYS 48 N 0.33 -3.75 -0.05 0.00 5.02 -1.26 -1.71 118.16 116.74 2hcc n LYS 48 Ca -0.14 -1.11 -0.14 0.00 -2.02 0.00 0.00 58.31 54.89 2hcc n LYS 48 Cb 0.59 -1.74 -0.07 0.00 -0.02 0.00 0.00 35.03 33.79 2hcc n LYS 48 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2hcc h PRO 49 N -3.25 0.48 -0.45 1.97 0.13 -1.93 -3.35 132.00 125.61 2hcc h PRO 49 Ca -0.33 -0.31 -0.33 0.00 -0.87 0.00 0.00 66.00 64.16 2hcc h PRO 49 Cb 1.08 0.04 -0.34 0.00 0.13 0.00 0.00 31.00 31.91 2hcc h PRO 49 CO 0.21 0.91 -0.86 0.43 -0.23 0.00 0.00 178.00 178.46 2hcc n SER 50 N -4.38 3.08 -4.36 1.44 7.64 -1.26 -4.78 113.62 110.99 2hcc n SER 50 Ca -0.06 -3.17 -0.37 0.00 1.01 0.00 0.00 58.87 56.27 2hcc n SER 50 Cb 0.47 -0.41 0.04 0.00 -1.01 0.00 0.00 64.21 63.31 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 -0.64 -2.29 3.58 0.23 0.00 -1.26 -4.70 105.19 100.12 2hcc n GLY 51 Ca 0.26 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.02 2.52 0.00 1.61 0.04 -1.26 -2.09 135.00 133.81 2hcc s PRO 52 Ca 0.62 -1.00 0.00 0.00 0.04 0.00 0.00 61.00 60.66 2hcc s PRO 52 Cb -0.40 -5.21 0.00 0.00 0.04 0.00 0.00 34.50 28.93 2hcc s PRO 52 CO 0.62 -3.84 0.00 0.41 0.04 0.00 0.00 177.00 174.22 2hcc n GLY 53 N 6.02 1.40 0.19 0.56 0.00 -1.26 -4.85 105.19 107.24 2hcc n GLY 53 Ca 0.44 0.00 -0.10 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 1.22 -0.42 1.61 2.07 -1.74 0.01 116.25 119.01 2hcc h VAL 54 Ca 0.00 -0.76 -0.11 0.00 0.82 0.00 0.00 66.70 66.65 2hcc h VAL 54 Cb 0.00 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 2hcc h VAL 54 CO 0.00 0.26 -0.17 1.56 0.02 0.00 0.00 177.57 179.24 2hcc h GLN 55 N 0.44 0.79 -0.07 1.57 1.08 -1.87 -1.74 115.11 115.31 2hcc h GLN 55 Ca 0.11 -0.29 -0.07 0.00 -1.45 0.00 0.00 58.65 56.95 2hcc h GLN 55 Cb 0.30 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 2hcc h GLN 55 CO 0.00 0.90 -0.29 -0.44 -0.95 0.00 0.00 178.83 178.06 2hcc h ASP 56 N 0.70 0.12 -0.05 1.46 5.19 -1.83 -0.58 116.42 121.43 2hcc h ASP 56 Ca 0.11 -0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.47 2hcc h ASP 56 Cb 0.67 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 40.15 2hcc h ASP 56 CO 0.05 0.41 -0.02 0.00 -3.12 0.00 0.00 179.24 176.56 2hcc h MET 58 N -0.27 0.00 -0.30 0.00 2.86 -1.08 -2.16 114.93 113.98 2hcc h MET 58 Ca 0.01 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.60 2hcc h MET 58 Cb 0.45 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 2hcc h MET 58 CO 0.01 0.10 -0.03 -0.22 1.06 0.00 0.00 176.91 177.83 2hcc h LYS 59 N 0.00 0.54 0.00 1.72 3.64 -0.75 -2.52 116.57 119.21 2hcc h LYS 59 Ca -0.00 -0.19 -0.04 0.00 -1.27 0.00 0.00 60.65 59.15 2hcc h LYS 59 Cb 0.31 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2hcc h LYS 59 CO 0.01 0.71 -0.18 -0.22 -2.27 0.00 0.00 179.45 177.50 2hcc h LYS 60 N 0.32 0.00 0.00 1.90 1.63 -0.99 -2.30 116.57 117.13 2hcc h LYS 60 Ca 0.08 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 2hcc h LYS 60 Cb 0.48 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.11 2hcc h LYS 60 CO 0.02 0.18 0.00 1.28 -3.45 0.00 0.00 179.45 177.48 2hcc n LEU 61 N -3.44 0.00 -4.87 5.20 4.77 -0.87 -4.76 117.00 113.03 2hcc n LEU 61 Ca -0.00 0.10 -0.31 0.00 -0.03 0.00 0.00 56.01 55.77 2hcc n LEU 61 Cb 0.37 -0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.31 2hcc n LEU 61 CO 0.32 -0.03 0.45 -0.54 -1.33 0.00 0.00 177.39 176.25 2hcc s LYS 62 N -2.20 3.85 -0.86 3.23 -0.14 -0.87 -4.90 119.74 117.86 2hcc s LYS 62 Ca 0.27 0.55 -0.25 0.00 -1.36 0.00 0.00 55.97 55.19 2hcc s LYS 62 Cb 0.14 -2.39 -0.02 0.00 -1.68 0.00 0.00 37.83 33.88 2hcc s LYS 62 CO 0.27 0.01 1.80 -1.25 -0.76 0.00 0.00 175.35 175.42 2hcc s PRO 63 N -3.60 2.79 -0.38 -1.68 0.04 -1.26 -4.79 135.00 126.12 2hcc s PRO 63 Ca 0.52 -0.25 0.12 0.00 0.04 0.00 0.00 61.00 61.43 2hcc s PRO 63 Cb -0.10 -4.93 0.35 0.00 0.04 0.00 0.00 34.50 29.86 2hcc s PRO 63 CO 0.27 -2.97 0.73 0.98 0.04 0.00 0.00 177.00 176.05 2hcc n TYR 64 N 12.56 0.31 -3.80 0.56 4.19 -1.26 -5.08 117.16 124.63 2hcc n TYR 64 Ca 0.33 -3.82 -0.14 0.00 3.31 0.00 0.00 57.90 57.58 2hcc n TYR 64 Cb 0.49 -0.42 -0.15 0.00 0.49 0.00 0.00 39.34 39.75 2hcc n TYR 64 CO 0.00 0.00 0.00 -1.12 0.91 0.00 0.00 176.86 176.65 2hcc s SER 65 N -2.43 0.02 0.00 2.98 0.01 -1.26 -5.19 113.70 107.82 2hcc s SER 65 Ca 0.40 0.06 0.14 0.00 1.31 0.00 0.00 55.95 57.86 2hcc s SER 65 Cb 0.34 -0.01 0.83 0.00 0.21 0.00 0.00 66.02 67.39 2hcc s SER 65 CO -0.08 -0.09 1.25 -0.38 0.41 0.00 0.00 173.24 174.35