#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hme s THR 23 N 0.00 2.20 0.22 2.46 -4.23 -1.26 -5.00 115.64 110.02 3hme s THR 23 Ca 0.00 -1.45 0.09 0.00 -1.18 0.00 0.00 61.69 59.15 3hme s THR 23 Cb 0.00 -2.65 -0.09 0.00 1.34 0.00 0.00 72.50 71.10 3hme s THR 23 CO 0.00 0.00 1.49 -0.65 -0.54 0.00 0.00 174.62 174.92 3hme h PRO 24 N 0.97 0.01 -0.45 3.99 0.11 -2.06 -1.98 132.00 132.60 3hme h PRO 24 Ca -0.40 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 3hme h PRO 24 Cb 1.28 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 3hme h PRO 24 CO 0.59 0.76 0.24 0.97 -0.21 0.00 0.00 178.00 180.35 3hme h ILE 25 N 0.01 1.17 -0.36 4.15 6.09 -1.99 -2.28 117.51 124.30 3hme h ILE 25 Ca -0.01 -0.44 -0.02 0.00 -1.37 0.00 0.00 64.86 63.02 3hme h ILE 25 Cb 1.33 0.64 -0.02 0.00 0.47 0.00 0.00 36.82 39.25 3hme h ILE 25 CO 0.10 0.18 0.13 1.56 -3.07 0.00 0.00 178.15 177.05 3hme h GLN 26 N 0.58 0.54 -0.98 2.19 4.20 -1.88 -0.28 115.11 119.48 3hme h GLN 26 Ca 0.16 -0.11 0.10 0.00 0.06 0.00 0.00 58.65 58.86 3hme h GLN 26 Cb 0.07 -0.08 -0.08 0.00 0.30 0.00 0.00 27.48 27.69 3hme h GLN 26 CO -0.02 0.54 0.63 1.96 -0.67 0.00 0.00 178.83 181.27 3hme h GLN 27 N 0.43 0.98 -0.02 1.46 1.08 -1.36 0.16 115.11 117.83 3hme h GLN 27 Ca 0.12 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.22 3hme h GLN 27 Cb 0.21 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3hme h GLN 27 CO -0.01 0.65 -0.14 1.25 -0.95 0.00 0.00 178.83 179.63 3hme h LEU 28 N 1.01 0.16 -0.80 1.46 5.85 -0.80 -1.88 115.31 120.31 3hme h LEU 28 Ca 0.47 -0.70 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 3hme h LEU 28 Cb 0.41 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 3hme h LEU 28 CO -0.23 0.83 0.37 -0.07 -0.34 0.00 0.00 178.44 179.00 3hme h LEU 29 N -0.50 1.06 -1.52 2.25 3.38 -1.01 -0.74 115.31 118.24 3hme h LEU 29 Ca -0.01 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3hme h LEU 29 Cb 0.83 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3hme h LEU 29 CO 0.03 0.91 0.09 -0.33 0.09 0.00 0.00 178.44 179.23 3hme h GLU 30 N 1.14 0.40 0.06 1.13 5.08 -0.68 0.22 114.58 121.94 3hme h GLU 30 Ca 0.27 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3hme h GLU 30 Cb 0.14 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3hme h GLU 30 CO -0.03 0.36 -0.03 1.25 -1.00 0.00 0.00 179.01 179.56 3hme h HIS 31 N 0.40 -0.08 -0.84 4.33 2.76 -0.70 -0.95 115.15 120.08 3hme h HIS 31 Ca 0.10 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.25 3hme h HIS 31 Cb 0.13 0.03 -0.04 0.00 1.55 0.00 0.00 27.41 29.07 3hme h HIS 31 CO 0.00 0.21 0.46 0.74 -1.30 0.00 0.00 177.93 178.05 3hme h PHE 32 N -0.37 1.14 -0.28 5.26 0.04 -0.57 -2.05 116.94 120.12 3hme h PHE 32 Ca -0.01 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 3hme h PHE 32 Cb 0.32 -0.37 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 3hme h PHE 32 CO 0.02 0.79 0.12 1.25 -0.60 0.00 0.00 178.31 179.89 3hme h LEU 33 N 1.17 0.37 -0.22 1.54 5.85 -0.46 -1.33 115.31 122.23 3hme h LEU 33 Ca 0.30 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.92 3hme h LEU 33 Cb 0.02 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 3hme h LEU 33 CO -0.05 0.41 -0.07 0.03 -0.34 0.00 0.00 178.44 178.42 3hme h ARG 34 N 0.30 -0.02 -0.10 1.25 3.08 -0.94 0.14 114.38 118.10 3hme h ARG 34 Ca 0.09 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 3hme h ARG 34 Cb 0.15 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3hme h ARG 34 CO -0.01 -0.02 -0.11 1.96 -1.07 0.00 0.00 179.97 180.73 3hme h GLN 35 N -0.02 0.15 -0.04 0.04 1.08 -1.16 -1.84 115.11 113.31 3hme h GLN 35 Ca 0.11 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.26 3hme h GLN 35 Cb 0.19 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.60 3hme h GLN 35 CO -0.24 0.26 -0.07 -0.07 -0.95 0.00 0.00 178.83 177.76 3hme h LEU 36 N 0.14 0.13 -1.61 1.46 3.38 -0.53 -3.32 115.31 114.97 3hme h LEU 36 Ca 0.03 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.45 3hme h LEU 36 Cb 0.29 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3hme h LEU 36 CO 0.02 0.66 0.00 1.56 0.09 0.00 0.00 178.44 180.77 3hme h GLN 37 N -0.38 0.00 0.00 1.13 4.20 -0.28 -1.51 115.11 118.27 3hme h GLN 37 Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 3hme h GLN 37 Cb 0.63 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.41 3hme h GLN 37 CO 0.02 0.00 -0.13 0.00 -0.67 0.00 0.00 178.83 178.04 3hme h ARG 38 N 0.00 0.00 -0.00 1.46 3.08 -1.45 -2.76 114.38 114.71 3hme h ARG 38 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hme h ARG 38 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3hme h ARG 38 CO 0.00 0.13 0.00 1.63 -1.07 0.00 0.00 179.97 180.66 3hme n LYS 39 N -4.14 1.11 -3.22 0.04 5.02 -0.57 -4.05 118.16 112.35 3hme n LYS 39 Ca -0.02 -0.17 -0.24 0.00 -2.02 0.00 0.00 58.31 55.86 3hme n LYS 39 Cb 0.21 -1.48 -0.07 0.00 -0.02 0.00 0.00 35.03 33.67 3hme n LYS 39 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3hme n ASP 40 N -0.78 1.08 0.23 4.39 2.03 -1.04 -4.97 116.55 117.49 3hme n ASP 40 Ca 0.23 -2.91 0.11 0.00 0.52 0.00 0.00 54.79 52.74 3hme n ASP 40 Cb 0.15 -0.64 0.51 0.00 -0.72 0.00 0.00 41.12 40.42 3hme n ASP 40 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3hme h PRO 41 N 3.87 0.00 0.00 -0.67 0.13 -1.73 -2.16 132.00 131.44 3hme h PRO 41 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3hme h PRO 41 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3hme h PRO 41 CO 0.55 0.17 0.00 0.72 -0.23 0.00 0.00 178.00 179.21 3hme n HIS 42 N -3.34 0.00 -3.11 1.56 8.25 -1.26 -4.95 115.22 112.37 3hme n HIS 42 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.32 3hme n HIS 42 Cb 0.40 -0.31 0.06 0.00 1.12 0.00 0.00 29.99 31.26 3hme n HIS 42 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hme n GLY 43 N 1.28 -0.09 0.25 -1.41 0.00 -0.81 -4.92 105.19 99.47 3hme n GLY 43 Ca 0.13 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.22 3hme n GLY 43 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3hme h PHE 44 N -1.58 0.00 0.00 1.61 0.04 -1.93 -3.21 116.94 111.87 3hme h PHE 44 Ca -0.40 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.37 3hme h PHE 44 Cb 1.24 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.39 3hme h PHE 44 CO 0.32 0.15 -0.01 1.19 -0.60 0.00 0.00 178.31 179.36 3hme n PHE 45 N -3.38 0.00 0.26 -0.55 3.72 -1.26 -4.77 117.46 111.47 3hme n PHE 45 Ca -0.00 -0.61 0.14 0.00 -0.05 0.00 0.00 57.45 56.93 3hme n PHE 45 Cb 0.35 -0.08 0.64 0.00 -0.94 0.00 0.00 39.48 39.45 3hme n PHE 45 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hme h ALA 46 N 0.00 1.04 -2.71 4.37 0.00 -1.94 -0.27 119.26 119.76 3hme h ALA 46 Ca 0.00 -0.09 -0.27 0.00 0.00 0.00 0.00 54.91 54.56 3hme h ALA 46 Cb 0.69 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.33 3hme h ALA 46 CO 0.00 0.12 -0.49 -0.06 0.00 0.00 0.00 179.25 178.82 3hme s PHE 47 N -3.75 1.17 0.30 0.00 0.08 -1.26 -2.73 117.98 111.78 3hme s PHE 47 Ca 0.00 -1.34 -0.29 0.00 0.12 0.00 0.00 56.93 55.42 3hme s PHE 47 Cb 0.10 -0.45 -0.10 0.00 -0.57 0.00 0.00 43.02 42.00 3hme s PHE 47 CO 0.58 -0.78 1.25 -2.14 -0.10 0.00 0.00 175.22 174.03 3hme s PRO 48 N -3.90 4.44 -0.03 0.24 0.02 -1.26 -4.74 135.00 129.76 3hme s PRO 48 Ca 0.36 2.08 -0.30 0.00 0.02 0.00 0.00 61.00 63.17 3hme s PRO 48 Cb 0.04 -3.12 -0.04 0.00 0.02 0.00 0.00 34.50 31.41 3hme s PRO 48 CO 0.15 -0.08 1.23 0.08 -0.33 0.00 0.00 177.00 178.06 3hme s VAL 49 N -1.00 4.13 0.22 3.83 1.01 -1.26 -5.03 120.40 122.31 3hme s VAL 49 Ca 0.49 1.48 0.02 0.00 0.00 0.00 0.00 61.98 63.96 3hme s VAL 49 Cb -0.37 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 3hme s VAL 49 CO 0.48 0.01 0.38 0.42 0.00 0.00 0.00 175.10 176.39 3hme s THR 50 N 2.10 5.23 0.43 3.92 -4.23 -1.26 -4.99 115.64 116.83 3hme s THR 50 Ca 0.58 -0.60 0.13 0.00 -1.18 0.00 0.00 61.69 60.62 3hme s THR 50 Cb -0.26 -3.78 0.32 0.00 1.34 0.00 0.00 72.50 70.11 3hme s THR 50 CO 0.24 -0.24 1.99 0.44 -0.54 0.00 0.00 174.62 176.50 3hme h ASP 51 N 1.67 0.39 -0.24 3.99 3.32 -1.96 -2.18 116.42 121.40 3hme h ASP 51 Ca -0.49 0.01 0.06 0.00 0.02 0.00 0.00 57.03 56.62 3hme h ASP 51 Cb 1.20 -0.08 -0.07 0.00 0.22 0.00 0.00 39.33 40.60 3hme h ASP 51 CO 0.66 0.24 -0.32 0.00 -1.72 0.00 0.00 179.24 178.10 3hme h ALA 52 N 1.70 -0.28 0.00 3.45 0.00 -1.99 -2.46 119.26 119.68 3hme h ALA 52 Ca 0.27 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3hme h ALA 52 Cb 0.47 0.64 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3hme h ALA 52 CO -0.07 -0.76 0.00 -0.89 0.00 0.00 0.00 179.25 177.52 3hme n ILE 53 N -5.41 0.59 -3.19 0.00 5.41 -1.12 -4.51 119.36 111.13 3hme n ILE 53 Ca -0.01 -0.23 -0.12 0.00 1.00 0.00 0.00 62.75 63.38 3hme n ILE 53 Cb 0.33 -0.63 -0.05 0.00 -0.71 0.00 0.00 39.64 38.58 3hme n ILE 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hme s ALA 54 N -3.11 -0.93 0.61 -1.39 0.00 -0.84 -5.01 121.76 111.09 3hme s ALA 54 Ca 0.10 -0.85 -0.17 0.00 0.00 0.00 0.00 51.96 51.04 3hme s ALA 54 Cb 0.12 -2.28 -0.02 0.00 0.00 0.00 0.00 23.12 20.94 3hme s ALA 54 CO 0.58 -2.16 1.12 -1.25 0.00 0.00 0.00 175.76 174.05 3hme s PRO 55 N 1.16 3.03 0.00 0.00 0.04 -0.96 -1.73 135.00 136.53 3hme s PRO 55 Ca 0.22 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.74 3hme s PRO 55 Cb -0.06 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.50 3hme s PRO 55 CO -0.07 -1.08 0.00 0.41 0.04 0.00 0.00 177.00 176.30 3hme n GLY 56 N -0.24 2.71 0.43 0.56 0.00 -1.26 -4.92 105.19 102.46 3hme n GLY 56 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 3hme n GLY 56 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3hme h TYR 57 N 0.00 -1.34 0.00 1.61 3.20 -1.66 -0.99 116.97 117.79 3hme h TYR 57 Ca 0.00 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3hme h TYR 57 Cb 0.00 0.60 0.00 0.00 1.54 0.00 0.00 36.73 38.87 3hme h TYR 57 CO 0.00 -0.51 0.00 0.66 -1.64 0.00 0.00 178.16 176.67 3hme h SER 58 N -0.55 0.00 0.95 -2.11 4.64 -1.84 0.23 113.55 114.86 3hme h SER 58 Ca 0.05 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.23 3hme h SER 58 Cb 0.66 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.73 3hme h SER 58 CO -0.39 0.00 -0.69 -0.03 -0.87 0.00 0.00 176.83 174.85 3hme h MET 59 N 0.00 0.00 0.04 4.77 1.85 -1.60 -3.35 114.93 116.63 3hme h MET 59 Ca 0.00 0.00 -0.38 0.00 -0.61 0.00 0.00 59.70 58.71 3hme h MET 59 Cb 0.48 0.00 -0.05 0.00 0.43 0.00 0.00 31.60 32.46 3hme h MET 59 CO 0.00 0.69 -2.25 -0.89 -0.40 0.00 0.00 176.91 174.06 3hme n ILE 60 N -3.49 1.59 -3.61 1.77 5.41 -0.59 -4.89 119.36 115.55 3hme n ILE 60 Ca -0.00 -0.52 -0.40 0.00 1.00 0.00 0.00 62.75 62.82 3hme n ILE 60 Cb 0.73 -1.63 -0.11 0.00 -0.71 0.00 0.00 39.64 37.92 3hme n ILE 60 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3hme s ILE 61 N -2.52 4.47 -0.32 1.39 -1.09 0.70 -4.94 121.20 118.89 3hme s ILE 61 Ca -0.31 -0.92 0.23 0.00 -2.23 0.00 0.00 60.65 57.42 3hme s ILE 61 Cb 0.09 -3.51 0.05 0.00 -1.58 0.00 0.00 42.46 37.51 3hme s ILE 61 CO 0.63 -0.25 1.16 0.11 -1.23 0.00 0.00 174.94 175.37 3hme h LYS 62 N 8.41 0.00 -2.14 2.79 1.79 -1.86 -3.41 116.57 122.15 3hme h LYS 62 Ca -0.25 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.65 3hme h LYS 62 Cb 1.10 0.00 -0.39 0.00 -1.58 0.00 0.00 32.23 31.36 3hme h LYS 62 CO 0.66 0.00 -0.98 0.72 -1.08 0.00 0.00 179.45 178.77 3hme n HIS 63 N -2.65 0.33 -2.20 -1.35 8.25 -1.26 -5.12 115.22 111.22 3hme n HIS 63 Ca 0.01 -3.64 -0.35 0.00 -0.26 0.00 0.00 57.72 53.48 3hme n HIS 63 Cb 0.53 -0.29 0.01 0.00 1.12 0.00 0.00 29.99 31.36 3hme n HIS 63 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3hme s PRO 64 N -1.19 3.30 0.00 -0.41 0.04 -1.26 -4.88 135.00 130.59 3hme s PRO 64 Ca 0.35 1.56 -0.24 0.00 0.04 0.00 0.00 61.00 62.71 3hme s PRO 64 Cb 0.13 -2.00 0.05 0.00 0.04 0.00 0.00 34.50 32.73 3hme s PRO 64 CO -0.11 -0.89 0.54 1.41 0.04 0.00 0.00 177.00 177.99 3hme s MET 65 N -3.41 0.98 0.25 4.56 1.75 -1.26 -5.02 119.30 117.15 3hme s MET 65 Ca 0.72 -0.04 -0.13 0.00 -1.25 0.00 0.00 55.69 54.98 3hme s MET 65 Cb -0.23 0.45 -0.00 0.00 2.84 0.00 0.00 34.83 37.89 3hme s MET 65 CO 0.29 -0.32 0.49 0.16 -0.65 0.00 0.00 175.02 174.98 3hme s ASP 66 N -1.57 -0.10 0.49 1.11 1.47 -1.26 -4.66 116.67 112.15 3hme s ASP 66 Ca -0.09 -0.91 0.17 0.00 1.18 0.00 0.00 52.55 52.91 3hme s ASP 66 Cb -0.01 0.59 1.20 0.00 -0.34 0.00 0.00 42.92 44.36 3hme s ASP 66 CO 0.04 -1.14 2.07 -0.26 0.68 0.00 0.00 175.17 176.56 3hme h PHE 67 N 2.25 0.00 0.07 2.11 0.04 -1.25 -2.08 116.94 118.08 3hme h PHE 67 Ca -0.26 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.24 3hme h PHE 67 Cb 1.25 0.00 0.02 0.00 2.20 0.00 0.00 35.95 39.42 3hme h PHE 67 CO 0.40 0.10 -1.14 0.78 -0.60 0.00 0.00 178.31 177.85 3hme h GLY 68 N 0.35 0.63 1.34 -1.45 0.00 -1.71 -1.84 103.07 100.39 3hme h GLY 68 Ca -0.00 -1.24 -0.12 0.00 0.00 0.00 0.00 47.33 45.97 3hme h GLY 68 CO 0.01 1.09 -0.23 -0.84 0.00 0.00 0.00 176.54 176.57 3hme h THR 69 N 0.27 1.27 -0.24 4.70 2.02 -1.80 -2.16 112.91 116.98 3hme h THR 69 Ca -0.15 -1.34 -0.03 0.00 0.77 0.00 0.00 66.41 65.66 3hme h THR 69 Cb 1.81 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 69.44 3hme h THR 69 CO 0.21 0.45 0.03 0.24 0.37 0.00 0.00 175.52 176.82 3hme h MET 70 N 0.66 0.40 -0.83 6.66 2.07 -1.30 -1.37 114.93 121.22 3hme h MET 70 Ca 0.09 -0.11 0.19 0.00 -2.07 0.00 0.00 59.70 57.80 3hme h MET 70 Cb 0.74 -0.04 -0.12 0.00 -1.87 0.00 0.00 31.60 30.31 3hme h MET 70 CO 0.06 0.55 0.31 -0.22 1.07 0.00 0.00 176.91 178.67 3hme h LYS 71 N 0.19 0.35 -0.20 1.72 1.63 -1.16 -0.85 116.57 118.26 3hme h LYS 71 Ca 0.07 -0.02 -0.17 0.00 -0.85 0.00 0.00 60.65 59.68 3hme h LYS 71 Cb 0.35 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 31.90 3hme h LYS 71 CO 0.01 0.23 -0.57 -0.44 -3.45 0.00 0.00 179.45 175.23 3hme h ASP 72 N 0.36 0.70 -0.73 4.20 5.19 -0.91 -1.85 116.42 123.38 3hme h ASP 72 Ca 0.50 -0.38 -0.04 0.00 -0.62 0.00 0.00 57.03 56.48 3hme h ASP 72 Cb 0.89 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 40.16 3hme h ASP 72 CO -0.51 1.12 0.29 0.11 -3.12 0.00 0.00 179.24 177.13 3hme h LYS 73 N 0.48 1.11 0.61 3.56 1.57 -0.10 -0.55 116.57 123.24 3hme h LYS 73 Ca 0.01 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.56 3hme h LYS 73 Cb 1.13 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.26 3hme h LYS 73 CO 0.11 0.90 -0.34 0.82 -0.57 0.00 0.00 179.45 180.37 3hme h ILE 74 N 1.08 0.30 -0.04 1.86 2.04 -0.95 0.59 117.51 122.38 3hme h ILE 74 Ca 0.25 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.12 3hme h ILE 74 Cb 0.21 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 3hme h ILE 74 CO -0.02 0.00 0.03 0.58 0.00 0.00 0.00 178.15 178.74 3hme h VAL 75 N -0.89 0.77 -0.04 1.67 2.07 -1.23 0.54 116.25 119.15 3hme h VAL 75 Ca -0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.44 3hme h VAL 75 Cb 0.71 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 3hme h VAL 75 CO 0.10 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.69 3hme n ALA 76 N -2.45 2.58 -3.80 1.67 0.00 -0.22 -4.96 120.51 113.33 3hme n ALA 76 Ca -0.02 -0.43 -0.29 0.00 0.00 0.00 0.00 53.44 52.70 3hme n ALA 76 Cb 0.13 -1.19 0.02 0.00 0.00 0.00 0.00 19.45 18.41 3hme n ALA 76 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hme n ASN 77 N 0.07 -4.61 0.03 0.00 2.85 0.19 -4.85 115.26 108.94 3hme n ASN 77 Ca 0.19 -0.71 0.13 0.00 -0.11 0.00 0.00 54.58 54.08 3hme n ASN 77 Cb 0.32 -3.71 0.41 0.00 1.24 0.00 0.00 39.78 38.04 3hme n ASN 77 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 3hme n GLU 78 N -4.47 0.09 -3.15 1.20 1.02 -0.21 -4.74 120.64 110.39 3hme n GLU 78 Ca 0.03 0.05 -0.42 0.00 -0.02 0.00 0.00 57.16 56.80 3hme n GLU 78 Cb 0.53 -1.58 -0.07 0.00 -0.02 0.00 0.00 31.44 30.30 3hme n GLU 78 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3hme s TYR 79 N -3.04 3.12 -0.60 -0.32 2.02 -1.26 -4.92 117.35 112.34 3hme s TYR 79 Ca 0.11 0.09 0.25 0.00 -0.37 0.00 0.00 57.07 57.16 3hme s TYR 79 Cb 0.17 -3.18 0.71 0.00 -0.40 0.00 0.00 41.96 39.25 3hme s TYR 79 CO 0.62 -0.73 1.73 1.57 -1.57 0.00 0.00 175.55 177.18 3hme h LYS 80 N 8.67 0.00 -2.99 -0.62 2.10 -1.99 -3.48 116.57 118.26 3hme h LYS 80 Ca -0.26 0.00 0.06 0.00 -2.00 0.00 0.00 60.65 58.45 3hme h LYS 80 Cb 1.11 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.38 3hme h LYS 80 CO 0.85 0.00 0.23 -1.54 -2.00 0.00 0.00 179.45 176.99 3hme s SER 81 N -5.03 -0.30 0.34 7.07 1.04 -1.26 -5.04 113.70 110.52 3hme s SER 81 Ca 0.09 -0.53 0.17 0.00 0.48 0.00 0.00 55.95 56.16 3hme s SER 81 Cb 0.10 0.71 0.49 0.00 0.10 0.00 0.00 66.02 67.42 3hme s SER 81 CO 0.60 -1.30 1.64 0.58 0.98 0.00 0.00 173.24 175.74 3hme h VAL 82 N 2.00 0.90 -0.57 5.02 2.07 -1.99 -3.08 116.25 120.60 3hme h VAL 82 Ca -0.21 -1.78 -0.02 0.00 0.82 0.00 0.00 66.70 65.51 3hme h VAL 82 Cb 1.26 2.09 -0.03 0.00 -1.52 0.00 0.00 31.29 33.10 3hme h VAL 82 CO 0.25 0.42 0.26 0.74 0.02 0.00 0.00 177.57 179.26 3hme h THR 83 N 0.00 1.21 -0.78 2.57 2.02 -1.98 0.82 112.91 116.78 3hme h THR 83 Ca -0.00 -0.62 0.04 0.00 0.77 0.00 0.00 66.41 66.60 3hme h THR 83 Cb 1.06 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.98 3hme h THR 83 CO 0.06 0.25 0.51 -0.33 0.37 0.00 0.00 175.52 176.37 3hme h GLU 84 N 0.78 0.91 -0.07 6.66 5.08 -1.96 -0.78 114.58 125.21 3hme h GLU 84 Ca 0.20 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 3hme h GLU 84 Cb 0.14 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3hme h GLU 84 CO -0.02 0.60 -0.12 0.35 -1.00 0.00 0.00 179.01 178.82 3hme h PHE 85 N 0.93 0.24 -0.91 4.33 3.57 -1.35 -1.98 116.94 121.76 3hme h PHE 85 Ca 0.31 -0.09 0.03 0.00 3.53 0.00 0.00 57.97 61.76 3hme h PHE 85 Cb 0.08 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.72 3hme h PHE 85 CO -0.00 0.70 0.60 0.87 -2.23 0.00 0.00 178.31 178.25 3hme h LYS 86 N -0.29 1.12 -0.01 1.11 1.57 -0.78 -1.47 116.57 117.82 3hme h LYS 86 Ca 0.00 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.58 3hme h LYS 86 Cb 0.68 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 3hme h LYS 86 CO 0.03 0.74 -0.65 0.00 -0.57 0.00 0.00 179.45 179.00 3hme h ALA 87 N 1.46 0.90 -0.15 3.86 0.00 -0.98 0.12 119.26 124.47 3hme h ALA 87 Ca 0.36 -0.58 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 3hme h ALA 87 Cb 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3hme h ALA 87 CO -0.11 0.80 -0.53 -0.44 0.00 0.00 0.00 179.25 178.97 3hme h ASP 88 N 0.04 0.47 -0.02 0.00 5.19 -0.98 -2.61 116.42 118.52 3hme h ASP 88 Ca -0.01 -0.24 -0.00 0.00 -0.62 0.00 0.00 57.03 56.15 3hme h ASP 88 Cb 1.15 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 40.53 3hme h ASP 88 CO 0.09 0.91 0.00 0.15 -3.12 0.00 0.00 179.24 177.27 3hme h PHE 89 N 0.33 0.03 -0.96 4.55 3.57 -0.28 -2.21 116.94 121.97 3hme h PHE 89 Ca 0.01 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.58 3hme h PHE 89 Cb 1.04 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.70 3hme h PHE 89 CO 0.03 0.33 0.61 -0.22 -2.23 0.00 0.00 178.31 176.84 3hme h LYS 90 N -0.27 1.07 -0.28 1.11 3.64 -0.85 -2.22 116.57 118.76 3hme h LYS 90 Ca 0.00 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 3hme h LYS 90 Cb 0.31 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 3hme h LYS 90 CO 0.00 0.71 0.17 1.25 -2.27 0.00 0.00 179.45 179.31 3hme h LEU 91 N 1.10 0.28 -0.48 5.20 5.85 -1.31 0.47 115.31 126.42 3hme h LEU 91 Ca 0.43 0.00 0.05 0.00 0.84 0.00 0.00 57.88 59.20 3hme h LEU 91 Cb 0.21 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 3hme h LEU 91 CO -0.19 0.20 0.21 -0.03 -0.34 0.00 0.00 178.44 178.30 3hme h MET 92 N 0.35 0.41 -0.08 1.25 4.05 -0.81 0.29 114.93 120.37 3hme h MET 92 Ca 0.11 -0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.43 3hme h MET 92 Cb -0.01 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 30.70 3hme h MET 92 CO -0.05 0.27 -0.25 0.00 0.23 0.00 0.00 176.91 177.12 3hme h ASP 94 N -0.17 0.75 -0.37 0.00 3.32 -0.00 -1.12 116.42 118.82 3hme h ASP 94 Ca -0.01 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.94 3hme h ASP 94 Cb 0.87 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.24 3hme h ASP 94 CO 0.05 0.50 -0.13 0.78 -1.72 0.00 0.00 179.24 178.72 3hme h ASN 95 N 0.86 0.82 -0.20 6.45 2.35 -0.88 -1.07 115.58 123.92 3hme h ASN 95 Ca 0.31 -0.26 -0.19 0.00 -0.55 0.00 0.00 56.30 55.61 3hme h ASN 95 Cb 0.15 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.29 3hme h ASN 95 CO -0.10 0.97 -0.59 0.00 -1.65 0.00 0.00 177.43 176.06 3hme h ALA 96 N 1.11 0.48 0.00 -0.83 0.00 -0.93 -2.18 119.26 116.92 3hme h ALA 96 Ca 0.12 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3hme h ALA 96 Cb 0.63 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3hme h ALA 96 CO 0.04 0.69 0.00 0.52 0.00 0.00 0.00 179.25 180.50 3hme h MET 97 N 0.60 0.00 0.16 0.00 2.86 -1.05 -1.76 114.93 115.74 3hme h MET 97 Ca 0.00 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.29 3hme h MET 97 Cb 1.19 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.85 3hme h MET 97 CO 0.13 0.00 -1.81 1.15 1.06 0.00 0.00 176.91 177.44 3hme h THR 98 N 0.00 0.86 0.20 2.22 2.02 -1.02 -3.38 112.91 113.80 3hme h THR 98 Ca 0.00 -2.49 -0.34 0.00 0.77 0.00 0.00 66.41 64.35 3hme h THR 98 Cb 0.56 2.67 0.02 0.00 -1.74 0.00 0.00 68.15 69.66 3hme h THR 98 CO 0.00 0.86 -1.63 0.22 0.37 0.00 0.00 175.52 175.34 3hme h TYR 99 N 0.09 0.77 -2.94 3.16 3.20 -1.42 -3.46 116.97 116.38 3hme h TYR 99 Ca -0.36 -0.56 -0.62 0.00 3.14 0.00 0.00 58.73 60.33 3hme h TYR 99 Cb 2.07 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 40.26 3hme h TYR 99 CO 0.09 1.63 -0.32 -0.80 -1.64 0.00 0.00 178.16 177.13 3hme s ASN 100 N -7.35 6.60 0.74 -2.11 0.01 -0.67 -5.08 114.94 107.08 3hme s ASN 100 Ca -0.14 0.72 -0.11 0.00 -0.71 0.00 0.00 52.86 52.62 3hme s ASN 100 Cb 0.05 -2.15 0.03 0.00 0.41 0.00 0.00 41.25 39.59 3hme s ASN 100 CO 0.87 0.28 1.07 -0.13 -1.51 0.00 0.00 177.10 177.69 3hme s ARG 101 N -1.47 2.57 0.46 -0.60 0.52 -1.26 -4.65 118.95 114.51 3hme s ARG 101 Ca 0.26 1.00 0.31 0.00 -0.52 0.00 0.00 55.73 56.77 3hme s ARG 101 Cb -0.14 -1.95 1.33 0.00 0.52 0.00 0.00 34.95 34.71 3hme s ARG 101 CO 0.14 -1.37 1.92 -1.35 0.02 0.00 0.00 175.30 174.65 3hme h PRO 102 N -0.92 0.00 -0.64 3.54 0.11 -1.98 -2.14 132.00 129.97 3hme h PRO 102 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3hme h PRO 102 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3hme h PRO 102 CO 0.55 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.94 3hme n ASP 103 N -2.78 3.83 -4.94 -2.05 5.68 -1.26 -4.53 116.55 110.49 3hme n ASP 103 Ca 0.01 -2.41 -0.24 0.00 -0.50 0.00 0.00 54.79 51.65 3hme n ASP 103 Cb 0.25 -0.53 -0.02 0.00 -1.14 0.00 0.00 41.12 39.69 3hme n ASP 103 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3hme s THR 104 N -1.88 5.14 0.28 2.12 -4.23 -0.80 -5.01 115.64 111.26 3hme s THR 104 Ca 0.38 -0.52 -0.02 0.00 -1.18 0.00 0.00 61.69 60.35 3hme s THR 104 Cb 0.26 -3.84 0.20 0.00 1.34 0.00 0.00 72.50 70.46 3hme s THR 104 CO 0.17 -0.45 1.88 0.58 -0.54 0.00 0.00 174.62 176.26 3hme h VAL 105 N 0.98 1.22 -0.12 2.29 2.07 -1.91 -2.57 116.25 118.21 3hme h VAL 105 Ca -0.50 -0.62 -0.06 0.00 0.82 0.00 0.00 66.70 66.34 3hme h VAL 105 Cb 1.21 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3hme h VAL 105 CO 0.63 0.26 -0.16 1.88 0.02 0.00 0.00 177.57 180.20 3hme h TYR 106 N 0.99 0.40 -0.10 1.57 0.05 -1.95 -0.81 116.97 117.12 3hme h TYR 106 Ca 0.24 -0.13 0.03 0.00 0.05 0.00 0.00 58.73 58.92 3hme h TYR 106 Cb 0.10 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 37.73 3hme h TYR 106 CO 0.01 0.76 -0.06 -0.92 -1.05 0.00 0.00 178.16 176.90 3hme h TYR 107 N -0.08 -0.14 -0.52 4.88 3.20 -1.77 -2.56 116.97 119.98 3hme h TYR 107 Ca 0.01 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.82 3hme h TYR 107 Cb 0.71 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.04 3hme h TYR 107 CO 0.09 -0.10 0.04 0.87 -1.64 0.00 0.00 178.16 177.43 3hme h LYS 108 N -0.06 0.90 -0.61 1.82 1.57 -1.34 -1.14 116.57 117.71 3hme h LYS 108 Ca 0.06 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 58.53 3hme h LYS 108 Cb 0.15 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 3hme h LYS 108 CO -0.14 0.90 0.19 1.25 -0.57 0.00 0.00 179.45 181.08 3hme h LEU 109 N 0.77 0.86 -0.38 2.94 5.85 -1.13 -2.62 115.31 121.60 3hme h LEU 109 Ca 0.15 -0.15 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 3hme h LEU 109 Cb 0.47 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3hme h LEU 109 CO 0.02 0.82 -0.10 0.00 -0.34 0.00 0.00 178.44 178.83 3hme h ALA 110 N 1.30 0.53 -0.45 1.25 0.00 -1.21 0.19 119.26 120.86 3hme h ALA 110 Ca 0.20 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.84 3hme h ALA 110 Cb 0.27 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3hme h ALA 110 CO -0.01 0.39 0.22 -0.22 0.00 0.00 0.00 179.25 179.63 3hme h LYS 111 N 0.54 0.42 0.29 0.00 3.64 -1.14 0.11 116.57 120.43 3hme h LYS 111 Ca 0.10 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 3hme h LYS 111 Cb 0.62 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3hme h LYS 111 CO 0.04 0.28 -0.14 -0.22 -2.27 0.00 0.00 179.45 177.14 3hme h LYS 112 N 0.43 -0.38 -0.27 1.90 3.64 -1.16 -0.77 116.57 119.97 3hme h LYS 112 Ca 0.20 0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.53 3hme h LYS 112 Cb 0.11 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3hme h LYS 112 CO -0.14 -0.07 -0.13 -0.84 -2.27 0.00 0.00 179.45 176.00 3hme h ILE 113 N -0.70 1.22 -0.72 2.00 3.07 -0.68 -1.12 117.51 120.59 3hme h ILE 113 Ca -0.04 -0.99 0.06 0.00 1.55 0.00 0.00 64.86 65.44 3hme h ILE 113 Cb 0.48 1.16 -0.06 0.00 -0.27 0.00 0.00 36.82 38.14 3hme h ILE 113 CO 0.07 0.32 0.41 0.25 -1.05 0.00 0.00 178.15 178.15 3hme h LEU 114 N 0.42 0.62 -0.13 0.16 5.85 -0.54 0.86 115.31 122.55 3hme h LEU 114 Ca 0.08 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 3hme h LEU 114 Cb 0.48 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 3hme h LEU 114 CO 0.03 0.40 -0.02 0.45 -0.34 0.00 0.00 178.44 178.96 3hme h HIS 115 N 0.76 0.28 -0.49 1.25 3.86 -0.55 -1.96 115.15 118.29 3hme h HIS 115 Ca 0.32 -0.06 -0.04 0.00 -1.16 0.00 0.00 60.37 59.43 3hme h HIS 115 Cb 0.19 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 3hme h HIS 115 CO -0.07 0.52 0.14 0.00 0.86 0.00 0.00 177.93 179.38 3hme h ALA 116 N 0.72 1.32 -0.46 2.45 0.00 -1.00 -2.01 119.26 120.28 3hme h ALA 116 Ca 0.04 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3hme h ALA 116 Cb 0.43 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3hme h ALA 116 CO 0.01 0.49 0.12 0.78 0.00 0.00 0.00 179.25 180.65 3hme h GLY 117 N 0.90 0.80 2.00 0.00 0.00 -0.73 -1.13 103.07 104.92 3hme h GLY 117 Ca 0.16 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 47.00 3hme h GLY 117 CO -0.01 0.46 0.00 0.74 0.00 0.00 0.00 176.54 177.73 3hme h PHE 118 N 0.62 0.00 0.24 5.60 0.04 -0.96 -0.83 116.94 121.65 3hme h PHE 118 Ca 0.15 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.57 3hme h PHE 118 Cb 0.31 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.49 3hme h PHE 118 CO 0.02 0.00 -1.56 0.87 -0.60 0.00 0.00 178.31 177.04 3hme h LYS 119 N 0.00 0.50 -0.44 1.51 6.56 -1.10 -2.56 116.57 121.05 3hme h LYS 119 Ca 0.00 -0.86 -0.01 0.00 -1.06 0.00 0.00 60.65 58.72 3hme h LYS 119 Cb 0.64 0.32 -0.02 0.00 -0.57 0.00 0.00 32.23 32.60 3hme h LYS 119 CO 0.00 1.41 0.25 1.98 -2.06 0.00 0.00 179.45 181.03 3hme h MET 120 N 0.14 0.60 -0.79 3.15 1.85 -1.16 -3.21 114.93 115.50 3hme h MET 120 Ca -0.28 -0.06 -0.50 0.00 -0.61 0.00 0.00 59.70 58.24 3hme h MET 120 Cb 2.16 -0.12 -0.28 0.00 0.43 0.00 0.00 31.60 33.79 3hme h MET 120 CO 0.25 0.47 0.26 -1.33 -0.40 0.00 0.00 176.91 176.16 3hme n MET 121 N -4.72 2.58 -2.17 0.39 2.00 -0.32 -4.81 117.12 110.07 3hme n MET 121 Ca 0.01 -3.39 -0.34 0.00 0.00 0.00 0.00 57.70 53.98 3hme n MET 121 Cb 0.07 -2.15 0.01 0.00 0.00 0.00 0.00 33.22 31.15 3hme n MET 121 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 3hme s SER 122 N -2.25 5.67 0.39 7.83 1.04 -0.96 -4.79 113.70 120.63 3hme s SER 122 Ca 0.56 2.07 0.18 0.00 0.48 0.00 0.00 55.95 59.24 3hme s SER 122 Cb 0.46 -2.57 1.10 0.00 0.10 0.00 0.00 66.02 65.12 3hme s SER 122 CO 0.02 -1.25 1.76 0.11 0.98 0.00 0.00 173.24 174.87 3hme h LYS 123 N 0.92 0.38 -0.46 4.02 6.56 -1.93 0.13 116.57 126.19 3hme h LYS 123 Ca -0.49 -0.02 -0.03 0.00 -1.06 0.00 0.00 60.65 59.04 3hme h LYS 123 Cb 1.25 -0.09 -0.02 0.00 -0.57 0.00 0.00 32.23 32.80 3hme h LYS 123 CO 0.57 0.25 0.16 1.49 -2.06 0.00 0.00 179.45 179.86 3hme h GLU 124 N 0.39 0.71 0.09 3.15 4.81 -1.95 -0.28 114.58 121.50 3hme h GLU 124 Ca 0.61 -0.14 -0.26 0.00 -0.13 0.00 0.00 59.36 59.43 3hme h GLU 124 Cb 1.53 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.81 3hme h GLU 124 CO -0.31 0.67 -1.15 0.00 -0.73 0.00 0.00 179.01 177.48 3hme h ARG 125 N 0.61 0.28 0.00 1.92 3.08 -1.54 -2.61 114.38 116.13 3hme h ARG 125 Ca 0.15 -0.43 -0.07 0.00 0.07 0.00 0.00 59.98 59.70 3hme h ARG 125 Cb 0.24 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 3hme h ARG 125 CO -0.01 1.17 -0.33 -0.07 -1.07 0.00 0.00 179.97 179.66 3hme h LEU 126 N 0.10 0.00 -0.37 3.04 3.38 -0.70 -1.60 115.31 119.17 3hme h LEU 126 Ca -0.11 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 3hme h LEU 126 Cb 1.86 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.59 3hme h LEU 126 CO 0.19 0.33 0.05 0.25 0.09 0.00 0.00 178.44 179.35 3hme h LEU 127 N 0.00 0.59 -0.11 1.67 5.85 -0.86 -1.95 115.31 120.49 3hme h LEU 127 Ca -0.00 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 3hme h LEU 127 Cb 0.63 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 3hme h LEU 127 CO 0.04 0.71 0.04 0.00 -0.34 0.00 0.00 178.44 178.90 3hme h ALA 128 N 0.90 0.15 -0.38 1.25 0.00 -1.15 -2.09 119.26 117.95 3hme h ALA 128 Ca 0.11 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.99 3hme h ALA 128 Cb 0.38 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 3hme h ALA 128 CO 0.01 -0.26 -0.10 1.25 0.00 0.00 0.00 179.25 180.15 3hme h LEU 129 N 0.02 -0.38 0.15 0.00 5.85 -1.34 -2.69 115.31 116.92 3hme h LEU 129 Ca 0.04 0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.89 3hme h LEU 129 Cb 0.18 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 3hme h LEU 129 CO -0.00 -0.13 -0.25 0.11 -0.34 0.00 0.00 178.44 177.82 3hme h LYS 130 N -0.01 -0.46 -1.02 1.25 1.57 -1.14 -2.15 116.57 114.60 3hme h LYS 130 Ca 0.18 0.03 0.25 0.00 -1.87 0.00 0.00 60.65 59.25 3hme h LYS 130 Cb 0.29 0.11 -0.09 0.00 0.08 0.00 0.00 32.23 32.62 3hme h LYS 130 CO -0.39 -0.31 0.66 0.00 -0.57 0.00 0.00 179.45 178.83 3hme h ARG 131 N -0.48 0.40 0.00 3.15 3.08 -1.28 0.70 114.38 119.95 3hme h ARG 131 Ca 0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hme h ARG 131 Cb 0.49 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3hme h ARG 131 CO -0.12 0.27 0.00 -1.13 -1.07 0.00 0.00 179.97 177.91 3hme n SER 132 N -4.61 0.00 -0.92 7.04 3.41 -0.82 -1.51 113.62 116.21 3hme n SER 132 Ca 0.24 -0.82 0.07 0.00 -0.26 0.00 0.00 58.87 58.11 3hme n SER 132 Cb 0.84 -0.01 0.22 0.00 -0.26 0.00 0.00 64.21 65.00 3hme n SER 132 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3hme n MET 133 N -1.01 3.00 0.00 4.33 2.81 0.24 -5.08 117.12 121.42 3hme n MET 133 Ca 0.20 -2.40 0.09 0.00 -1.81 0.00 0.00 57.70 53.79 3hme n MET 133 Cb 0.10 -1.50 0.56 0.00 -0.71 0.00 0.00 33.22 31.66 3hme n MET 133 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35