#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jhy h HIS 5 N 0.00 0.52 0.42 1.96 3.86 -2.03 -1.21 115.15 118.68 1jhy h HIS 5 Ca 0.00 -0.11 -0.02 0.00 -1.16 0.00 0.00 60.37 59.08 1jhy h HIS 5 Cb 0.00 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.34 1jhy h HIS 5 CO 0.00 0.69 -0.23 0.00 0.86 0.00 0.00 177.93 179.24 1jhy h ALA 6 N 1.32 -1.12 -0.96 2.45 0.00 -2.05 0.39 119.26 119.30 1jhy h ALA 6 Ca 0.06 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 54.96 1jhy h ALA 6 Cb 0.67 0.30 -0.13 0.00 0.00 0.00 0.00 17.79 18.63 1jhy h ALA 6 CO 0.05 -1.09 -0.48 -0.11 0.00 0.00 0.00 179.25 177.63 1jhy n LEU 7 N -3.74 -0.83 0.11 0.00 7.94 -1.15 0.15 117.00 119.48 1jhy n LEU 7 Ca -0.07 1.69 0.06 0.00 -1.11 0.00 0.00 56.01 56.57 1jhy n LEU 7 Cb 0.24 -0.29 0.52 0.00 0.53 0.00 0.00 43.42 44.42 1jhy n LEU 7 CO 0.18 -1.44 1.12 -0.07 -1.11 0.00 0.00 177.39 176.07 1jhy h LEU 8 N 0.00 0.26 -0.52 -1.96 3.38 -1.10 -2.34 115.31 113.02 1jhy h LEU 8 Ca 0.24 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 1jhy h LEU 8 Cb 0.47 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1jhy h LEU 8 CO -0.92 0.19 0.12 -0.09 0.09 0.00 0.00 178.44 177.82 1jhy h ARG 9 N 0.31 0.84 -0.13 1.13 2.43 0.36 -3.21 114.38 116.11 1jhy h ARG 9 Ca 0.09 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1jhy h ARG 9 Cb -0.02 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 1jhy h ARG 9 CO -0.02 0.81 0.00 -0.25 -1.51 0.00 0.00 179.97 179.00 1jhy n ASP 10 N -4.42 0.70 -4.68 -3.80 10.43 0.07 -4.89 116.55 109.96 1jhy n ASP 10 Ca 0.02 -1.95 -0.42 0.00 2.57 0.00 0.00 54.79 55.01 1jhy n ASP 10 Cb 0.23 -0.08 -0.03 0.00 1.84 0.00 0.00 41.12 43.08 1jhy n ASP 10 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1jhy s ILE 11 N -1.83 3.41 0.42 0.53 1.01 -1.21 -4.89 121.20 118.64 1jhy s ILE 11 Ca 0.11 0.77 -0.22 0.00 0.00 0.00 0.00 60.65 61.30 1jhy s ILE 11 Cb 0.06 -3.49 -0.09 0.00 0.01 0.00 0.00 42.46 38.94 1jhy s ILE 11 CO 0.08 -0.02 1.01 -2.16 0.00 0.00 0.00 174.94 173.85 1jhy s PRO 12 N 2.85 4.12 0.65 2.79 0.04 -1.26 -5.03 135.00 139.16 1jhy s PRO 12 Ca 0.70 1.35 -0.11 0.00 0.04 0.00 0.00 61.00 62.98 1jhy s PRO 12 Cb -0.35 -2.35 -0.02 0.00 0.04 0.00 0.00 34.50 31.81 1jhy s PRO 12 CO 0.29 -0.15 1.04 0.00 0.04 0.00 0.00 177.00 178.22 1jhy s ALA 13 N -1.87 2.98 0.52 8.56 0.00 -1.26 -4.99 121.76 125.69 1jhy s ALA 13 Ca 0.61 -0.07 -0.20 0.00 0.00 0.00 0.00 51.96 52.30 1jhy s ALA 13 Cb -0.17 -3.10 -0.07 0.00 0.00 0.00 0.00 23.12 19.79 1jhy s ALA 13 CO 0.21 -0.86 1.10 -2.14 0.00 0.00 0.00 175.76 174.07 1jhy s PRO 14 N -5.16 3.53 -0.87 0.00 0.02 -1.26 -4.79 135.00 126.46 1jhy s PRO 14 Ca 0.56 1.52 -0.24 0.00 0.02 0.00 0.00 61.00 62.87 1jhy s PRO 14 Cb -0.12 -2.05 0.06 0.00 0.02 0.00 0.00 34.50 32.41 1jhy s PRO 14 CO 0.54 -0.68 1.30 0.34 -0.33 0.00 0.00 177.00 178.17 1jhy s ASP 15 N -1.84 6.36 0.49 2.53 3.68 0.48 -4.88 116.67 123.50 1jhy s ASP 15 Ca 0.70 -1.13 0.14 0.00 2.13 0.00 0.00 52.55 54.39 1jhy s ASP 15 Cb -0.21 -2.53 1.16 0.00 -1.45 0.00 0.00 42.92 39.89 1jhy s ASP 15 CO 0.24 -1.56 2.10 0.00 0.13 0.00 0.00 175.17 176.09 1jhy h ALA 16 N 9.74 1.96 -0.16 3.66 0.00 -1.92 -2.30 119.26 130.24 1jhy h ALA 16 Ca -0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1jhy h ALA 16 Cb 1.03 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1jhy h ALA 16 CO 1.31 0.01 -0.07 1.49 0.00 0.00 0.00 179.25 182.00 1jhy h GLU 17 N 0.17 0.32 -0.71 0.00 4.22 -1.97 -1.41 114.58 115.19 1jhy h GLU 17 Ca 0.08 -0.14 -0.02 0.00 0.08 0.00 0.00 59.36 59.36 1jhy h GLU 17 Cb 0.10 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1jhy h GLU 17 CO -0.01 0.63 0.35 0.00 -2.18 0.00 0.00 179.01 177.80 1jhy h ALA 18 N 0.68 1.28 -0.57 2.92 0.00 -1.77 -2.40 119.26 119.40 1jhy h ALA 18 Ca 0.04 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1jhy h ALA 18 Cb 0.53 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1jhy h ALA 18 CO 0.02 0.56 0.25 0.52 0.00 0.00 0.00 179.25 180.61 1jhy h MET 19 N 1.00 0.84 -0.69 0.00 2.86 -1.27 -0.34 114.93 117.34 1jhy h MET 19 Ca 0.25 -0.14 -0.06 0.00 -2.06 0.00 0.00 59.70 57.69 1jhy h MET 19 Cb 0.09 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 1jhy h MET 19 CO -0.03 0.70 0.21 0.00 1.06 0.00 0.00 176.91 178.85 1jhy h ALA 20 N 1.09 0.90 -0.78 6.32 0.00 -1.04 -1.06 119.26 124.69 1jhy h ALA 20 Ca 0.19 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1jhy h ALA 20 Cb 0.16 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1jhy h ALA 20 CO -0.02 0.58 0.30 0.00 0.00 0.00 0.00 179.25 180.11 1jhy h ARG 21 N 1.01 1.18 -0.19 0.00 3.08 -1.15 -2.08 114.38 116.23 1jhy h ARG 21 Ca 0.22 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1jhy h ARG 21 Cb 0.31 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1jhy h ARG 21 CO -0.01 0.97 0.06 1.15 -1.07 0.00 0.00 179.97 181.07 1jhy h THR 22 N 1.14 1.18 -0.37 2.04 2.02 -0.69 -2.00 112.91 116.23 1jhy h THR 22 Ca 0.26 -0.58 0.07 0.00 0.77 0.00 0.00 66.41 66.93 1jhy h THR 22 Cb 0.24 1.22 -0.06 0.00 -1.74 0.00 0.00 68.15 67.81 1jhy h THR 22 CO -0.02 0.18 0.02 -0.61 0.37 0.00 0.00 175.52 175.46 1jhy h GLN 23 N 0.13 0.12 -0.59 6.66 5.75 -1.03 0.09 115.11 126.25 1jhy h GLN 23 Ca 0.06 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.58 1jhy h GLN 23 Cb 0.22 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.71 1jhy h GLN 23 CO -0.00 0.08 0.36 1.96 -2.65 0.00 0.00 178.83 178.58 1jhy h GLN 24 N 0.12 0.70 -0.49 1.69 7.50 -1.28 -0.65 115.11 122.70 1jhy h GLN 24 Ca 0.18 -0.04 -0.01 0.00 0.50 0.00 0.00 58.65 59.28 1jhy h GLN 24 Cb 0.25 -0.16 -0.02 0.00 0.05 0.00 0.00 27.48 27.60 1jhy h GLN 24 CO -0.29 0.46 0.27 1.25 -1.50 0.00 0.00 178.83 179.02 1jhy h HIS 25 N 0.72 0.68 -0.74 2.96 -0.00 -0.59 -2.67 115.15 115.51 1jhy h HIS 25 Ca 0.24 -0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.57 1jhy h HIS 25 Cb 0.01 -0.22 -0.03 0.00 -0.00 0.00 0.00 27.41 27.17 1jhy h HIS 25 CO -0.05 0.51 0.39 0.82 -0.00 0.00 0.00 177.93 179.60 1jhy h ILE 26 N 0.65 1.23 -0.01 6.26 2.04 -0.74 -2.31 117.51 124.63 1jhy h ILE 26 Ca 0.17 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 1jhy h ILE 26 Cb 0.05 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.40 1jhy h ILE 26 CO -0.03 0.26 -0.08 0.44 0.00 0.00 0.00 178.15 178.74 1jhy h ASP 27 N 1.03 0.02 0.54 1.72 3.45 -0.85 -2.09 116.42 120.24 1jhy h ASP 27 Ca 0.26 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.72 1jhy h ASP 27 Cb 0.06 -0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.83 1jhy h ASP 27 CO -0.04 0.10 -0.04 0.61 -1.57 0.00 0.00 179.24 178.30 1jhy n GLY 28 N -1.27 -1.21 3.72 2.75 0.00 -0.88 -4.75 105.19 103.55 1jhy n GLY 28 Ca -0.03 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 1jhy n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jhy s LEU 29 N -2.58 2.71 -0.48 0.99 1.43 -0.79 -0.96 118.68 118.99 1jhy s LEU 29 Ca 0.27 1.84 -0.25 0.00 -1.03 0.00 0.00 54.13 54.97 1jhy s LEU 29 Cb 0.20 -4.35 -0.23 0.00 0.03 0.00 0.00 46.19 41.83 1jhy s LEU 29 CO 0.48 -2.57 1.79 -0.11 0.23 0.00 0.00 176.35 176.17 1jhy n LEU 30 N -3.87 2.92 -3.60 1.79 7.94 -0.38 -4.18 117.00 117.63 1jhy n LEU 30 Ca 0.09 -2.36 -0.02 0.00 -1.11 0.00 0.00 56.01 52.61 1jhy n LEU 30 Cb 0.53 -0.88 -0.01 0.00 0.53 0.00 0.00 43.42 43.59 1jhy n LEU 30 CO 0.53 -0.95 1.02 -1.59 -1.11 0.00 0.00 177.39 175.29 1jhy s LYS 31 N 5.69 0.35 0.33 1.96 -2.85 -1.26 -4.99 119.74 118.97 1jhy s LYS 31 Ca 0.60 -0.16 -0.29 0.00 -1.00 0.00 0.00 55.97 55.13 1jhy s LYS 31 Cb 0.14 0.15 -0.10 0.00 -2.06 0.00 0.00 37.83 35.96 1jhy s LYS 31 CO 0.20 -0.16 1.32 -2.14 0.10 0.00 0.00 175.35 174.67 1jhy s PRO 32 N -2.44 4.34 0.25 1.78 0.02 -1.26 -4.89 135.00 132.81 1jhy s PRO 32 Ca 0.11 2.23 -0.31 0.00 0.02 0.00 0.00 61.00 63.05 1jhy s PRO 32 Cb 0.01 -3.07 -0.13 0.00 0.02 0.00 0.00 34.50 31.33 1jhy s PRO 32 CO -0.04 -0.21 1.49 -2.30 -0.33 0.00 0.00 177.00 175.61 1jhy n PRO 33 N 0.81 2.27 -0.89 5.54 -0.02 -1.26 -1.39 135.00 140.05 1jhy n PRO 33 Ca 0.00 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1jhy n PRO 33 Cb 0.42 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 1jhy n PRO 33 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jhy n GLY 34 N 2.33 0.43 0.30 -1.23 0.00 -1.26 -4.90 105.19 100.86 1jhy n GLY 34 Ca 0.11 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.33 1jhy n GLY 34 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jhy h SER 35 N 0.00 0.00 -0.53 1.61 4.64 -1.59 -1.99 113.55 115.69 1jhy h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jhy h SER 35 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1jhy h SER 35 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1jhy n LEU 36 N -3.02 2.88 0.00 5.97 4.32 -1.26 -5.00 117.00 120.90 1jhy n LEU 36 Ca -0.01 -1.43 0.00 0.00 -0.02 0.00 0.00 56.01 54.55 1jhy n LEU 36 Cb 0.17 -0.35 0.00 0.00 -1.62 0.00 0.00 43.42 41.62 1jhy n LEU 36 CO 0.22 0.71 0.00 0.61 -1.22 0.00 0.00 177.39 177.72 1jhy n GLY 37 N 1.36 2.12 0.30 -0.72 0.00 -0.75 -1.73 105.19 105.78 1jhy n GLY 37 Ca 0.18 0.39 0.16 0.00 0.00 0.00 0.00 46.02 46.75 1jhy n GLY 37 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1jhy h ARG 38 N 0.00 0.00 -0.12 1.61 3.08 -1.94 -0.69 114.38 116.32 1jhy h ARG 38 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 1jhy h ARG 38 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1jhy h ARG 38 CO 0.00 0.00 -0.29 1.25 -1.07 0.00 0.00 179.97 179.86 1jhy h LEU 39 N 0.00 0.22 -0.05 3.04 5.85 -1.77 -0.63 115.31 121.98 1jhy h LEU 39 Ca -0.00 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.57 1jhy h LEU 39 Cb 0.01 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1jhy h LEU 39 CO 0.00 0.52 -0.25 -0.33 -0.34 0.00 0.00 178.44 178.04 1jhy h GLU 40 N 0.20 0.26 -0.79 1.25 5.08 -1.19 -2.63 114.58 116.76 1jhy h GLU 40 Ca 0.03 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1jhy h GLU 40 Cb 0.63 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 1jhy h GLU 40 CO 0.05 0.86 0.52 1.15 -1.00 0.00 0.00 179.01 180.59 1jhy h THR 41 N -0.27 1.18 0.13 1.13 2.02 -1.44 -1.51 112.91 114.15 1jhy h THR 41 Ca -0.02 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 1jhy h THR 41 Cb 0.91 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1jhy h THR 41 CO 0.05 0.19 -0.06 0.25 0.37 0.00 0.00 175.52 176.32 1jhy h LEU 42 N 1.05 -0.15 -0.73 2.58 5.85 -1.13 -0.43 115.31 122.35 1jhy h LEU 42 Ca 0.30 0.00 0.12 0.00 0.84 0.00 0.00 57.88 59.14 1jhy h LEU 42 Cb -0.09 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 40.90 1jhy h LEU 42 CO -0.08 -0.10 0.31 0.00 -0.34 0.00 0.00 178.44 178.23 1jhy h ALA 43 N 0.69 1.01 -0.51 1.25 0.00 -1.11 0.14 119.26 120.74 1jhy h ALA 43 Ca -0.02 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1jhy h ALA 43 Cb 0.14 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1jhy h ALA 43 CO 0.03 -0.16 -0.13 0.28 0.00 0.00 0.00 179.25 179.27 1jhy h VAL 44 N 0.49 1.27 -0.41 0.00 2.07 -1.01 -1.72 116.25 116.93 1jhy h VAL 44 Ca 0.39 -1.28 0.01 0.00 0.82 0.00 0.00 66.70 66.64 1jhy h VAL 44 Cb 0.53 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1jhy h VAL 44 CO -0.36 0.45 0.25 -0.61 0.02 0.00 0.00 177.57 177.32 1jhy h GLN 45 N 0.87 0.49 -0.87 1.57 4.15 0.71 -2.02 115.11 120.02 1jhy h GLN 45 Ca 0.13 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.52 1jhy h GLN 45 Cb 0.69 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.22 1jhy h GLN 45 CO 0.05 0.33 0.54 -0.07 -1.93 0.00 0.00 178.83 177.75 1jhy h LEU 46 N 0.51 1.02 -2.35 -2.39 3.38 -0.61 -2.33 115.31 112.54 1jhy h LEU 46 Ca 0.16 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1jhy h LEU 46 Cb -0.01 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 1jhy h LEU 46 CO -0.06 0.77 -0.01 0.00 0.09 0.00 0.00 178.44 179.23 1jhy h ALA 47 N 1.30 1.61 -0.00 1.53 0.00 -0.60 -0.98 119.26 122.11 1jhy h ALA 47 Ca 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1jhy h ALA 47 Cb -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1jhy h ALA 47 CO -0.06 0.01 -0.01 0.41 0.00 0.00 0.00 179.25 179.60 1jhy n GLY 48 N -1.34 -1.49 3.61 0.00 0.00 -0.88 -4.31 105.19 100.80 1jhy n GLY 48 Ca -0.03 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 1jhy n GLY 48 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jhy s MET 49 N -2.99 3.85 0.39 1.61 1.00 -0.37 -0.39 119.30 122.40 1jhy s MET 49 Ca 0.14 0.75 0.14 0.00 0.00 0.00 0.00 55.69 56.72 1jhy s MET 49 Cb 0.19 -3.85 0.98 0.00 0.00 0.00 0.00 34.83 32.15 1jhy s MET 49 CO 0.53 -1.21 1.87 -1.35 0.00 0.00 0.00 175.02 174.86 1jhy h PRO 50 N 8.82 0.50 0.00 2.03 0.11 -1.86 0.10 132.00 141.70 1jhy h PRO 50 Ca -0.22 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1jhy h PRO 50 Cb 1.06 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1jhy h PRO 50 CO 1.09 0.33 0.00 0.41 -0.21 0.00 0.00 178.00 179.63 1jhy n GLY 51 N -1.48 -0.86 0.58 -0.55 0.00 0.01 -2.58 105.19 100.30 1jhy n GLY 51 Ca 0.18 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.27 1jhy n GLY 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jhy n LEU 52 N -1.42 1.95 -2.09 0.99 4.77 0.35 -4.97 117.00 116.58 1jhy n LEU 52 Ca 0.04 -0.65 -0.14 0.00 -0.03 0.00 0.00 56.01 55.24 1jhy n LEU 52 Cb 0.13 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.23 1jhy n LEU 52 CO 0.11 0.34 0.07 0.59 -1.33 0.00 0.00 177.39 177.17 1jhy n ASN 53 N 0.32 -4.42 -1.38 -1.43 3.02 -1.07 -3.75 115.26 106.55 1jhy n ASN 53 Ca 0.14 -0.24 -0.17 0.00 -0.03 0.00 0.00 54.58 54.29 1jhy n ASN 53 Cb 0.45 -3.16 -0.06 0.00 -0.61 0.00 0.00 39.78 36.40 1jhy n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jhy n GLY 54 N -1.30 1.31 3.38 7.41 0.00 -1.26 -4.98 105.19 109.75 1jhy n GLY 54 Ca -0.03 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 1jhy n GLY 54 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1jhy s THR 55 N -2.65 0.04 -0.29 2.61 -1.32 -1.25 -4.92 115.64 107.86 1jhy s THR 55 Ca 0.00 -0.29 -0.29 0.00 -1.21 0.00 0.00 61.69 59.90 1jhy s THR 55 Cb 0.00 -1.01 -0.01 0.00 -1.51 0.00 0.00 72.50 69.97 1jhy s THR 55 CO 0.00 -0.16 1.55 -2.16 -2.21 0.00 0.00 174.62 171.64 1jhy s PRO 56 N -2.80 3.69 0.04 7.08 0.04 -1.26 -4.51 135.00 137.28 1jhy s PRO 56 Ca -0.03 1.41 -0.02 0.00 0.04 0.00 0.00 61.00 62.39 1jhy s PRO 56 Cb -0.00 -4.03 -0.03 0.00 0.04 0.00 0.00 34.50 30.48 1jhy s PRO 56 CO -0.05 -1.41 0.01 -0.65 0.04 0.00 0.00 177.00 174.94 1jhy s GLN 57 N 4.80 0.52 -0.07 4.56 -0.21 -1.26 -4.75 119.66 123.26 1jhy s GLN 57 Ca 0.68 -0.91 -0.03 0.00 0.02 0.00 0.00 55.36 55.13 1jhy s GLN 57 Cb -0.21 0.19 0.04 0.00 1.00 0.00 0.00 33.01 34.03 1jhy s GLN 57 CO 0.30 -0.11 0.08 0.08 -2.12 0.00 0.00 175.29 173.52 1jhy s VAL 58 N -2.84 -0.13 0.00 1.09 1.01 -1.26 -4.97 120.40 113.29 1jhy s VAL 58 Ca -0.03 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.26 1jhy s VAL 58 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 36.13 1jhy s VAL 58 CO -0.06 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.74 1jhy n GLY 59 N 5.30 0.29 3.87 4.51 0.00 -1.26 -5.04 105.19 112.86 1jhy n GLY 59 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 1jhy n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jhy s GLU 60 N 2.34 3.77 0.01 1.61 0.41 -0.80 -4.82 118.70 121.22 1jhy s GLU 60 Ca 0.00 0.58 0.07 0.00 -0.41 0.00 0.00 54.97 55.21 1jhy s GLU 60 Cb 0.00 -2.30 -0.02 0.00 -1.78 0.00 0.00 34.13 30.03 1jhy s GLU 60 CO 0.00 -0.16 -0.23 0.15 -0.49 0.00 0.00 175.26 174.54 1jhy s LYS 61 N -4.12 1.71 -0.03 1.61 3.01 -1.26 -0.29 119.74 120.37 1jhy s LYS 61 Ca 0.53 -0.87 -0.03 0.00 -1.01 0.00 0.00 55.97 54.59 1jhy s LYS 61 Cb -0.10 -1.73 0.01 0.00 -1.01 0.00 0.00 37.83 35.00 1jhy s LYS 61 CO 0.35 0.46 0.08 0.00 0.51 0.00 0.00 175.35 176.75 1jhy s ALA 62 N -0.62 -0.20 -0.23 5.17 0.00 -0.67 -1.46 121.76 123.74 1jhy s ALA 62 Ca 0.09 0.23 -0.05 0.00 0.00 0.00 0.00 51.96 52.23 1jhy s ALA 62 Cb -0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 1jhy s ALA 62 CO 0.00 -0.04 -0.01 0.08 0.00 0.00 0.00 175.76 175.79 1jhy s VAL 63 N 0.05 3.58 -0.27 0.00 1.01 -0.02 -0.46 120.40 124.29 1jhy s VAL 63 Ca -0.00 -0.48 -0.12 0.00 0.00 0.00 0.00 61.98 61.38 1jhy s VAL 63 Cb -0.01 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 1jhy s VAL 63 CO 0.00 0.36 0.25 -0.76 0.00 0.00 0.00 175.10 174.96 1jhy s LEU 64 N 1.50 4.03 -0.26 3.92 1.02 -0.28 -0.58 118.68 128.03 1jhy s LEU 64 Ca 0.05 0.10 -0.06 0.00 0.02 0.00 0.00 54.13 54.25 1jhy s LEU 64 Cb -0.15 -2.23 0.00 0.00 0.02 0.00 0.00 46.19 43.83 1jhy s LEU 64 CO -0.01 -0.09 0.03 -0.69 0.02 0.00 0.00 176.35 175.61 1jhy s VAL 65 N 1.84 3.76 -0.35 -1.59 1.01 0.51 -1.04 120.40 124.54 1jhy s VAL 65 Ca 0.10 -0.59 -0.17 0.00 0.00 0.00 0.00 61.98 61.32 1jhy s VAL 65 Cb -0.16 -2.85 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 1jhy s VAL 65 CO 0.10 0.22 0.45 -0.04 0.00 0.00 0.00 175.10 175.84 1jhy s MET 66 N 1.50 3.58 -0.10 2.72 1.00 -0.37 0.12 119.30 127.75 1jhy s MET 66 Ca 0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 55.69 55.44 1jhy s MET 66 Cb -0.16 -3.81 -0.03 0.00 0.00 0.00 0.00 34.83 30.83 1jhy s MET 66 CO 0.01 -0.61 -0.05 0.00 0.00 0.00 0.00 175.02 174.37 1jhy s ALA 68 N -0.39 -1.83 0.19 0.00 0.00 -0.37 -1.33 121.76 118.03 1jhy s ALA 68 Ca 0.06 1.16 0.05 0.00 0.00 0.00 0.00 51.96 53.22 1jhy s ALA 68 Cb -0.12 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 1jhy s ALA 68 CO 0.02 -0.56 0.25 -0.51 0.00 0.00 0.00 175.76 174.96 1jhy s ASP 69 N -2.01 5.97 -0.06 0.00 1.11 -0.58 -3.98 116.67 117.13 1jhy s ASP 69 Ca 0.01 -0.01 0.03 0.00 0.18 0.00 0.00 52.55 52.77 1jhy s ASP 69 Cb -0.01 -1.68 0.00 0.00 1.07 0.00 0.00 42.92 42.30 1jhy s ASP 69 CO -0.05 0.01 -0.15 -1.00 1.18 0.00 0.00 175.17 175.16 1jhy s HIS 70 N -1.88 1.65 0.50 4.23 3.76 -1.26 -1.32 115.29 120.97 1jhy s HIS 70 Ca 0.33 -0.55 0.19 0.00 -0.15 0.00 0.00 55.06 54.88 1jhy s HIS 70 Cb -0.10 -1.15 1.29 0.00 1.11 0.00 0.00 32.58 33.74 1jhy s HIS 70 CO 0.27 -0.23 2.11 0.78 -0.85 0.00 0.00 174.74 176.81 1jhy h GLY 71 N 6.58 0.00 2.00 -2.22 0.00 -1.46 -2.01 103.07 105.95 1jhy h GLY 71 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1jhy h GLY 71 CO 0.48 0.00 0.00 1.55 0.00 0.00 0.00 176.54 178.57 1jhy n VAL 72 N -4.25 1.27 -0.14 4.60 3.14 -1.26 -1.83 118.33 119.85 1jhy n VAL 72 Ca -0.03 0.56 0.13 0.00 -2.96 0.00 0.00 64.34 62.04 1jhy n VAL 72 Cb 0.16 -1.53 0.48 0.00 -1.06 0.00 0.00 33.84 31.89 1jhy n VAL 72 CO 0.00 0.00 0.00 -0.25 -6.46 0.00 0.00 176.83 170.12 1jhy h TRP 73 N 0.00 0.51 0.00 1.45 7.01 -1.68 0.08 115.95 123.31 1jhy h TRP 73 Ca 0.00 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.01 1jhy h TRP 73 Cb 0.07 -0.16 0.00 0.00 -2.10 0.00 0.00 29.16 26.97 1jhy h TRP 73 CO 0.00 0.22 0.00 -0.25 -2.79 0.00 0.00 178.44 175.62 1jhy n ASP 74 N -4.48 0.54 -0.19 2.65 8.00 -0.76 -1.89 116.55 120.42 1jhy n ASP 74 Ca 0.12 0.71 0.10 0.00 0.71 0.00 0.00 54.79 56.44 1jhy n ASP 74 Cb 0.44 -0.80 0.49 0.00 -0.02 0.00 0.00 41.12 41.23 1jhy n ASP 74 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jhy n GLU 75 N -2.19 1.25 -1.99 -1.24 -0.58 0.01 -4.89 120.64 111.01 1jhy n GLU 75 Ca -0.00 -0.37 -0.10 0.00 -0.42 0.00 0.00 57.16 56.27 1jhy n GLU 75 Cb 0.09 -1.32 -0.01 0.00 -0.57 0.00 0.00 31.44 29.62 1jhy n GLU 75 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jhy n GLY 76 N 0.90 0.22 0.22 0.62 0.00 -0.79 -4.92 105.19 101.44 1jhy n GLY 76 Ca 0.15 -0.50 0.14 0.00 0.00 0.00 0.00 46.02 45.80 1jhy n GLY 76 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1jhy n VAL 77 N -3.72 0.00 -3.88 1.61 0.24 -1.26 -4.88 118.33 106.44 1jhy n VAL 77 Ca -0.11 -0.11 -0.13 0.00 -2.04 0.00 0.00 64.34 61.94 1jhy n VAL 77 Cb 0.53 0.16 -0.14 0.00 -1.47 0.00 0.00 33.84 32.92 1jhy n VAL 77 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jhy s ALA 78 N -2.37 0.07 -0.72 2.33 0.00 -1.26 -4.94 121.76 114.86 1jhy s ALA 78 Ca 0.30 0.05 0.25 0.00 0.00 0.00 0.00 51.96 52.55 1jhy s ALA 78 Cb 0.20 -0.07 0.43 0.00 0.00 0.00 0.00 23.12 23.68 1jhy s ALA 78 CO 0.46 -0.01 1.38 1.33 0.00 0.00 0.00 175.76 178.92 1jhy n VAL 79 N 3.32 0.29 -2.57 0.00 0.24 -1.26 -4.85 118.33 113.49 1jhy n VAL 79 Ca -0.16 -0.21 -0.41 0.00 -2.04 0.00 0.00 64.34 61.52 1jhy n VAL 79 Cb 0.58 -0.09 -0.04 0.00 -1.47 0.00 0.00 33.84 32.81 1jhy n VAL 79 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1jhy s SER 80 N -3.96 7.32 0.50 -1.34 0.01 -1.26 -4.98 113.70 109.98 1jhy s SER 80 Ca 0.08 2.00 -0.23 0.00 1.31 0.00 0.00 55.95 59.10 1jhy s SER 80 Cb 0.14 -2.60 -0.07 0.00 0.21 0.00 0.00 66.02 63.71 1jhy s SER 80 CO 0.70 -0.19 1.33 -2.65 0.41 0.00 0.00 173.24 172.84 1jhy n PRO 81 N 2.57 1.83 -0.22 12.44 -0.02 -1.26 -4.85 135.00 145.49 1jhy n PRO 81 Ca 0.03 0.66 0.08 0.00 -2.02 0.00 0.00 63.50 62.25 1jhy n PRO 81 Cb 0.47 -2.51 0.36 0.00 -0.02 0.00 0.00 33.50 31.80 1jhy n PRO 81 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1jhy h LYS 82 N 1.73 0.72 0.00 -0.52 3.64 -1.95 -1.82 116.57 118.37 1jhy h LYS 82 Ca -0.50 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 1jhy h LYS 82 Cb 1.30 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1jhy h LYS 82 CO 0.58 0.47 0.00 0.97 -2.27 0.00 0.00 179.45 179.21 1jhy h ILE 83 N 0.74 0.00 -0.37 2.00 2.10 -1.95 -2.75 117.51 117.28 1jhy h ILE 83 Ca 0.36 -0.10 0.09 0.00 1.08 0.00 0.00 64.86 66.29 1jhy h ILE 83 Cb 0.43 1.01 -0.02 0.00 -1.09 0.00 0.00 36.82 37.16 1jhy h ILE 83 CO -0.14 0.00 0.26 0.58 -1.08 0.00 0.00 178.15 177.77 1jhy h VAL 84 N 0.00 0.87 -0.19 2.19 2.07 -1.68 -1.45 116.25 118.05 1jhy h VAL 84 Ca 0.00 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.50 1jhy h VAL 84 Cb 0.11 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1jhy h VAL 84 CO 0.00 0.02 0.08 0.74 0.02 0.00 0.00 177.57 178.43 1jhy h THR 85 N 0.10 0.98 -0.55 2.57 2.02 -1.70 -0.67 112.91 115.66 1jhy h THR 85 Ca 0.17 -0.06 -0.12 0.00 0.77 0.00 0.00 66.41 67.17 1jhy h THR 85 Cb 0.55 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1jhy h THR 85 CO -0.02 0.03 -0.11 0.00 0.37 0.00 0.00 175.52 175.80 1jhy h ALA 86 N 1.11 0.77 0.17 6.16 0.00 -1.52 -1.30 119.26 124.64 1jhy h ALA 86 Ca 0.08 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1jhy h ALA 86 Cb 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1jhy h ALA 86 CO -0.07 0.67 -0.08 0.82 0.00 0.00 0.00 179.25 180.60 1jhy h ILE 87 N 0.92 0.88 -0.44 0.00 2.04 -1.08 -2.32 117.51 117.51 1jhy h ILE 87 Ca 0.14 -0.19 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 1jhy h ILE 87 Cb 0.68 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 1jhy h ILE 87 CO 0.05 0.05 0.06 1.56 0.00 0.00 0.00 178.15 179.87 1jhy h GLN 88 N -0.31 0.67 -0.81 2.37 1.08 -1.15 -0.79 115.11 116.16 1jhy h GLN 88 Ca -0.02 -0.14 -0.03 0.00 -1.45 0.00 0.00 58.65 57.00 1jhy h GLN 88 Cb 0.25 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 27.54 1jhy h GLN 88 CO 0.04 0.64 0.37 0.00 -0.95 0.00 0.00 178.83 178.93 1jhy h ALA 89 N 1.43 1.12 -0.37 3.87 0.00 -1.06 0.54 119.26 124.79 1jhy h ALA 89 Ca 0.14 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1jhy h ALA 89 Cb 0.31 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1jhy h ALA 89 CO 0.00 0.65 0.09 0.00 0.00 0.00 0.00 179.25 180.00 1jhy h ALA 90 N 1.24 0.48 -0.16 0.00 0.00 -0.84 -2.03 119.26 117.96 1jhy h ALA 90 Ca 0.28 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1jhy h ALA 90 Cb 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1jhy h ALA 90 CO -0.03 0.15 0.12 -0.91 0.00 0.00 0.00 179.25 178.57 1jhy h ASN 91 N 0.44 0.00 -0.02 0.00 2.35 -0.62 0.34 115.58 118.07 1jhy h ASN 91 Ca 0.12 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 1jhy h ASN 91 Cb 0.30 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1jhy h ASN 91 CO 0.00 0.00 -0.01 0.24 -1.65 0.00 0.00 177.43 176.02 1jhy h MET 92 N 0.00 0.10 0.00 0.81 2.86 -0.14 -0.81 114.93 117.76 1jhy h MET 92 Ca 0.08 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.66 1jhy h MET 92 Cb 0.30 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1jhy h MET 92 CO -0.00 0.13 -0.23 1.79 1.06 0.00 0.00 176.91 179.66 1jhy h THR 93 N 0.10 0.54 -0.02 2.22 1.35 -0.26 -3.16 112.91 113.68 1jhy h THR 93 Ca 0.03 -1.16 0.00 0.00 -0.55 0.00 0.00 66.41 64.73 1jhy h THR 93 Cb 0.09 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 1jhy h THR 93 CO 0.00 0.22 -0.22 0.54 -0.25 0.00 0.00 175.52 175.81 1jhy n ARG 94 N -3.36 1.40 -1.34 4.72 1.74 -0.34 -4.97 116.66 114.51 1jhy n ARG 94 Ca 0.00 -1.02 -0.06 0.00 -0.77 0.00 0.00 57.85 56.01 1jhy n ARG 94 Cb 0.45 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.39 1jhy n ARG 94 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jhy n GLY 95 N 1.33 0.68 0.44 -0.13 0.00 -0.99 -4.93 105.19 101.59 1jhy n GLY 95 Ca 0.13 -0.78 0.11 0.00 0.00 0.00 0.00 46.02 45.48 1jhy n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jhy n THR 96 N -3.06 0.00 -2.06 2.61 -2.24 -1.21 -4.38 114.28 103.95 1jhy n THR 96 Ca -0.06 -0.23 -0.28 0.00 -2.27 0.00 0.00 64.05 61.22 1jhy n THR 96 Cb 0.25 1.20 0.07 0.00 -2.10 0.00 0.00 70.33 69.75 1jhy n THR 96 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1jhy s THR 97 N -2.54 2.46 0.13 4.28 -4.23 -1.26 -4.88 115.64 109.61 1jhy s THR 97 Ca 0.18 -0.04 -0.22 0.00 -1.18 0.00 0.00 61.69 60.43 1jhy s THR 97 Cb 0.18 -3.11 -0.02 0.00 1.34 0.00 0.00 72.50 70.89 1jhy s THR 97 CO 0.60 -0.13 1.67 1.23 -0.54 0.00 0.00 174.62 177.45 1jhy h GLY 98 N -0.75 -0.03 1.45 3.99 0.00 -1.97 -0.73 103.07 105.03 1jhy h GLY 98 Ca -0.45 0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 1jhy h GLY 98 CO 0.63 -0.14 0.13 -0.24 0.00 0.00 0.00 176.54 176.92 1jhy h VAL 99 N -0.15 1.20 -0.28 4.60 3.04 -1.87 -1.73 116.25 121.06 1jhy h VAL 99 Ca 0.10 -0.68 -0.00 0.00 -1.01 0.00 0.00 66.70 65.10 1jhy h VAL 99 Cb 0.30 0.69 -0.01 0.00 -2.01 0.00 0.00 31.29 30.26 1jhy h VAL 99 CO -0.24 0.26 0.15 0.00 -1.01 0.00 0.00 177.57 176.73 1jhy h VAL 101 N 0.33 1.25 -0.22 0.00 2.07 -0.94 -1.55 116.25 117.19 1jhy h VAL 101 Ca 0.10 -0.91 -0.17 0.00 0.82 0.00 0.00 66.70 66.54 1jhy h VAL 101 Cb 0.06 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1jhy h VAL 101 CO -0.02 0.32 -0.56 -0.07 0.02 0.00 0.00 177.57 177.26 1jhy h LEU 102 N 0.69 0.75 -0.54 2.57 3.38 -1.15 -2.48 115.31 118.52 1jhy h LEU 102 Ca 0.15 -0.41 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 1jhy h LEU 102 Cb 0.38 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1jhy h LEU 102 CO 0.01 1.15 0.08 0.00 0.09 0.00 0.00 178.44 179.77 1jhy h ALA 103 N 0.86 0.72 -0.83 1.53 0.00 -0.17 -1.93 119.26 119.43 1jhy h ALA 103 Ca 0.01 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1jhy h ALA 103 Cb 1.13 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1jhy h ALA 103 CO 0.11 0.47 0.55 0.00 0.00 0.00 0.00 179.25 180.38 1jhy h ALA 104 N 0.99 1.07 -0.35 0.00 0.00 -1.25 0.25 119.26 119.97 1jhy h ALA 104 Ca 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1jhy h ALA 104 Cb 0.42 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1jhy h ALA 104 CO 0.01 0.42 0.16 0.37 0.00 0.00 0.00 179.25 180.22 1jhy h GLN 105 N 1.09 0.47 -0.00 0.00 5.75 -1.12 -2.23 115.11 119.07 1jhy h GLN 105 Ca 0.32 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.77 1jhy h GLN 105 Cb -0.08 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.38 1jhy h GLN 105 CO -0.09 0.38 -0.26 0.00 -2.65 0.00 0.00 178.83 176.21 1jhy n ALA 106 N -2.48 3.06 -1.87 3.38 0.00 0.12 -4.93 120.51 117.79 1jhy n ALA 106 Ca 0.02 -0.34 -0.05 0.00 0.00 0.00 0.00 53.44 53.07 1jhy n ALA 106 Cb 0.12 -1.20 -0.01 0.00 0.00 0.00 0.00 19.45 18.36 1jhy n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jhy n GLY 107 N 1.37 0.31 3.85 0.00 0.00 0.64 -4.92 105.19 106.43 1jhy n GLY 107 Ca 0.11 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 45.15 1jhy n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jhy s ALA 108 N -2.24 3.71 -0.08 4.61 0.00 0.06 -4.59 121.76 123.22 1jhy s ALA 108 Ca 0.00 -1.13 -0.04 0.00 0.00 0.00 0.00 51.96 50.79 1jhy s ALA 108 Cb 0.00 -1.51 -0.04 0.00 0.00 0.00 0.00 23.12 21.57 1jhy s ALA 108 CO 0.00 0.54 0.08 0.15 0.00 0.00 0.00 175.76 176.54 1jhy s LYS 109 N -3.07 3.22 -0.22 0.00 1.02 -0.53 -4.16 119.74 116.00 1jhy s LYS 109 Ca 0.32 -0.29 -0.10 0.00 0.02 0.00 0.00 55.97 55.92 1jhy s LYS 109 Cb -0.11 -3.00 -0.05 0.00 -0.52 0.00 0.00 37.83 34.16 1jhy s LYS 109 CO 0.25 0.73 0.15 0.08 -0.92 0.00 0.00 175.35 175.64 1jhy s VAL 110 N -1.02 5.38 -0.27 3.17 1.01 -1.26 -0.84 120.40 126.58 1jhy s VAL 110 Ca 0.16 0.19 -0.05 0.00 0.00 0.00 0.00 61.98 62.28 1jhy s VAL 110 Cb -0.12 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1jhy s VAL 110 CO 0.06 0.39 0.03 -1.00 0.00 0.00 0.00 175.10 174.58 1jhy s HIS 111 N 0.72 3.09 -0.22 5.22 3.76 0.25 -4.95 115.29 123.17 1jhy s HIS 111 Ca 0.08 -1.02 -0.16 0.00 -0.15 0.00 0.00 55.06 53.81 1jhy s HIS 111 Cb -0.12 -2.19 -0.04 0.00 1.11 0.00 0.00 32.58 31.34 1jhy s HIS 111 CO 0.01 -0.58 0.39 0.08 -0.85 0.00 0.00 174.74 173.80 1jhy s VAL 112 N 1.48 5.19 -0.14 -0.90 1.01 -1.26 -0.36 120.40 125.41 1jhy s VAL 112 Ca 0.03 0.68 0.02 0.00 0.00 0.00 0.00 61.98 62.71 1jhy s VAL 112 Cb -0.16 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.51 1jhy s VAL 112 CO 0.00 0.23 -0.18 -0.63 0.00 0.00 0.00 175.10 174.52 1jhy s ILE 113 N 1.48 1.82 -0.46 2.22 1.01 0.12 -1.03 121.20 126.37 1jhy s ILE 113 Ca 0.18 -0.82 -0.23 0.00 0.00 0.00 0.00 60.65 59.78 1jhy s ILE 113 Cb -0.15 -1.65 0.03 0.00 0.01 0.00 0.00 42.46 40.70 1jhy s ILE 113 CO 0.08 0.50 0.78 -0.62 0.00 0.00 0.00 174.94 175.69 1jhy s ASP 114 N 1.06 6.39 0.00 3.58 3.68 0.59 -0.73 116.67 131.24 1jhy s ASP 114 Ca -0.03 -0.18 0.16 0.00 2.13 0.00 0.00 52.55 54.63 1jhy s ASP 114 Cb -0.14 -2.38 0.15 0.00 -1.45 0.00 0.00 42.92 39.09 1jhy s ASP 114 CO -0.05 -0.93 1.02 1.33 0.13 0.00 0.00 175.17 176.67 1jhy n VAL 115 N 6.11 0.07 0.00 1.11 0.24 -0.44 -0.67 118.33 124.74 1jhy n VAL 115 Ca 0.02 -0.53 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 1jhy n VAL 115 Cb 0.48 1.27 0.00 0.00 -1.47 0.00 0.00 33.84 34.12 1jhy n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jhy n GLY 116 N 0.89 0.00 3.75 7.63 0.00 -1.13 -1.53 105.19 114.80 1jhy n GLY 116 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1jhy n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jhy s ILE 117 N 0.00 3.60 -1.22 -0.61 1.01 -1.26 -1.29 121.20 121.43 1jhy s ILE 117 Ca 0.00 1.52 -0.11 0.00 0.00 0.00 0.00 60.65 62.06 1jhy s ILE 117 Cb 0.00 -3.97 0.19 0.00 0.01 0.00 0.00 42.46 38.69 1jhy s ILE 117 CO 0.00 0.32 1.57 -0.67 0.00 0.00 0.00 174.94 176.17 1jhy n ASP 118 N 1.64 5.26 -3.62 3.58 4.64 -1.26 -4.25 116.55 122.55 1jhy n ASP 118 Ca 0.00 -3.05 -0.00 0.00 -1.38 0.00 0.00 54.79 50.36 1jhy n ASP 118 Cb 0.45 -1.51 0.01 0.00 -1.04 0.00 0.00 41.12 39.03 1jhy n ASP 118 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1jhy s ALA 119 N 0.71 -2.06 0.70 -1.67 0.00 -1.26 -4.98 121.76 113.19 1jhy s ALA 119 Ca 0.40 0.03 -0.14 0.00 0.00 0.00 0.00 51.96 52.25 1jhy s ALA 119 Cb 0.02 0.73 0.02 0.00 0.00 0.00 0.00 23.12 23.88 1jhy s ALA 119 CO 0.00 -1.09 1.13 -1.21 0.00 0.00 0.00 175.76 174.59 1jhy s GLU 120 N -2.24 2.53 0.45 0.00 2.02 -1.26 -4.93 118.70 115.27 1jhy s GLU 120 Ca 0.23 1.44 -0.25 0.00 0.02 0.00 0.00 54.97 56.41 1jhy s GLU 120 Cb -0.00 -1.91 -0.08 0.00 0.10 0.00 0.00 34.13 32.23 1jhy s GLU 120 CO 0.01 -1.47 1.33 -2.30 0.02 0.00 0.00 175.26 172.86 1jhy n PRO 121 N -2.68 1.99 -3.82 0.39 -0.02 -1.26 -4.96 135.00 124.64 1jhy n PRO 121 Ca 0.11 0.71 -0.36 0.00 -2.02 0.00 0.00 63.50 61.94 1jhy n PRO 121 Cb 0.52 -2.49 -0.12 0.00 -0.02 0.00 0.00 33.50 31.38 1jhy n PRO 121 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1jhy s ILE 122 N -1.22 4.49 0.28 4.25 1.01 -1.26 -5.05 121.20 123.70 1jhy s ILE 122 Ca 0.63 -0.12 -0.30 0.00 0.00 0.00 0.00 60.65 60.87 1jhy s ILE 122 Cb -0.47 -3.08 -0.10 0.00 0.01 0.00 0.00 42.46 38.81 1jhy s ILE 122 CO 0.56 0.36 1.43 -2.84 0.00 0.00 0.00 174.94 174.45 1jhy s PRO 123 N 1.32 4.26 0.00 2.79 0.02 -1.26 -1.88 135.00 140.24 1jhy s PRO 123 Ca 0.05 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.40 1jhy s PRO 123 Cb -0.15 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.29 1jhy s PRO 123 CO 0.04 -0.40 0.00 0.41 -0.33 0.00 0.00 177.00 176.72 1jhy n GLY 124 N 1.73 2.69 3.80 0.52 0.00 -1.26 -5.03 105.19 107.65 1jhy n GLY 124 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1jhy n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jhy s VAL 125 N -2.65 5.08 0.11 1.61 1.01 -0.79 -4.89 120.40 119.89 1jhy s VAL 125 Ca 0.00 0.85 -0.31 0.00 0.00 0.00 0.00 61.98 62.52 1jhy s VAL 125 Cb 0.00 -3.73 -0.09 0.00 0.00 0.00 0.00 36.38 32.55 1jhy s VAL 125 CO 0.00 0.51 1.67 -0.69 0.00 0.00 0.00 175.10 176.58 1jhy s VAL 126 N -0.57 2.77 -0.43 2.92 1.01 -0.20 -4.83 120.40 121.07 1jhy s VAL 126 Ca 0.24 0.37 -0.20 0.00 0.00 0.00 0.00 61.98 62.39 1jhy s VAL 126 Cb -0.16 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 33.01 1jhy s VAL 126 CO 0.12 0.01 0.57 0.21 0.00 0.00 0.00 175.10 176.01 1jhy s ASN 127 N 2.04 6.29 -0.09 3.32 3.84 -1.26 -0.30 114.94 128.77 1jhy s ASN 127 Ca 0.74 -0.42 0.22 0.00 0.21 0.00 0.00 52.86 53.62 1jhy s ASN 127 Cb -0.43 -2.29 0.44 0.00 -0.55 0.00 0.00 41.25 38.43 1jhy s ASN 127 CO 0.33 -0.70 1.17 0.23 -2.79 0.00 0.00 177.10 175.33 1jhy n MET 128 N 6.03 0.74 -1.70 0.43 2.81 0.16 -4.97 117.12 120.62 1jhy n MET 128 Ca -0.03 -2.59 -0.42 0.00 -1.81 0.00 0.00 57.70 52.85 1jhy n MET 128 Cb 0.48 -0.66 -0.03 0.00 -0.71 0.00 0.00 33.22 32.30 1jhy n MET 128 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 1jhy s ARG 129 N -1.38 4.13 -0.14 0.03 1.70 -0.46 -4.35 118.95 118.48 1jhy s ARG 129 Ca 0.34 2.62 -0.24 0.00 -0.47 0.00 0.00 55.73 57.98 1jhy s ARG 129 Cb 0.38 -3.60 -0.25 0.00 -0.57 0.00 0.00 34.95 30.90 1jhy s ARG 129 CO -0.12 -0.85 0.61 0.28 -1.08 0.00 0.00 175.30 174.14 1jhy h VAL 130 N 4.70 1.42 -2.99 4.99 2.07 -1.57 -3.47 116.25 121.40 1jhy h VAL 130 Ca -0.46 -2.34 0.03 0.00 0.82 0.00 0.00 66.70 64.75 1jhy h VAL 130 Cb 1.22 2.97 -0.02 0.00 -1.52 0.00 0.00 31.29 33.93 1jhy h VAL 130 CO 0.95 0.56 0.26 0.00 0.02 0.00 0.00 177.57 179.36 1jhy s ALA 131 N -2.32 -1.00 -1.25 1.67 0.00 -1.26 -5.06 121.76 112.54 1jhy s ALA 131 Ca -0.21 -0.52 -0.16 0.00 0.00 0.00 0.00 51.96 51.07 1jhy s ALA 131 Cb 0.01 0.76 0.12 0.00 0.00 0.00 0.00 23.12 24.01 1jhy s ALA 131 CO 0.69 -1.01 1.59 1.03 0.00 0.00 0.00 175.76 178.06 1jhy s ARG 132 N -3.12 4.04 0.00 0.00 0.52 -1.26 -4.09 118.95 115.04 1jhy s ARG 132 Ca 0.13 -2.28 0.00 0.00 -0.52 0.00 0.00 55.73 53.06 1jhy s ARG 132 Cb -0.06 -5.30 0.00 0.00 0.52 0.00 0.00 34.95 30.11 1jhy s ARG 132 CO 0.09 -2.02 0.00 0.41 0.02 0.00 0.00 175.30 173.80 1jhy n GLY 133 N 4.77 -2.22 3.97 -3.53 0.00 -0.41 -4.65 105.19 103.11 1jhy n GLY 133 Ca 0.43 -1.42 -0.23 0.00 0.00 0.00 0.00 46.02 44.80 1jhy n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jhy s GLY 135 N -4.57 1.98 -0.56 0.00 0.00 0.04 -1.73 107.32 102.48 1jhy s GLY 135 Ca 0.61 0.53 -0.28 0.00 0.00 0.00 0.00 44.72 45.59 1jhy s GLY 135 CO 0.42 0.90 1.39 0.21 0.00 0.00 0.00 173.10 176.02 1jhy s ASN 136 N -2.74 6.17 0.34 1.64 2.47 -1.26 -3.98 114.94 117.59 1jhy s ASN 136 Ca 0.67 0.26 0.23 0.00 0.42 0.00 0.00 52.86 54.43 1jhy s ASN 136 Cb -0.21 -2.55 1.24 0.00 -1.45 0.00 0.00 41.25 38.28 1jhy s ASN 136 CO 0.49 -1.68 1.70 0.16 -3.72 0.00 0.00 177.10 174.05 1jhy h ILE 137 N 6.35 0.00 0.00 -5.21 3.07 -1.83 -1.93 117.51 117.95 1jhy h ILE 137 Ca -0.27 0.00 -0.06 0.00 1.55 0.00 0.00 64.86 66.09 1jhy h ILE 137 Cb 1.09 0.51 -0.01 0.00 -0.27 0.00 0.00 36.82 38.14 1jhy h ILE 137 CO 1.18 0.00 -0.26 0.00 -1.05 0.00 0.00 178.15 178.01 1jhy h ALA 138 N 1.97 1.13 0.00 0.16 0.00 -1.90 -3.27 119.26 117.36 1jhy h ALA 138 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1jhy h ALA 138 Cb 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1jhy h ALA 138 CO 0.00 0.33 0.00 1.33 0.00 0.00 0.00 179.25 180.91 1jhy n VAL 139 N -3.60 0.50 -2.26 0.00 0.24 -0.75 -4.38 118.33 108.09 1jhy n VAL 139 Ca -0.01 -0.69 0.00 0.00 -2.04 0.00 0.00 64.34 61.60 1jhy n VAL 139 Cb 0.40 0.80 0.00 0.00 -1.47 0.00 0.00 33.84 33.57 1jhy n VAL 139 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jhy n GLY 140 N -0.25 -1.46 3.82 7.63 0.00 -1.07 -5.04 105.19 108.81 1jhy n GLY 140 Ca 0.00 -1.02 -0.33 0.00 0.00 0.00 0.00 46.02 44.68 1jhy n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jhy s PRO 141 N -1.17 3.59 0.25 1.61 0.04 -1.26 -3.62 135.00 134.43 1jhy s PRO 141 Ca 0.00 1.13 -0.01 0.00 0.04 0.00 0.00 61.00 62.16 1jhy s PRO 141 Cb 0.00 -2.07 0.29 0.00 0.04 0.00 0.00 34.50 32.76 1jhy s PRO 141 CO 0.00 -0.58 1.68 0.00 0.04 0.00 0.00 177.00 178.13 1jhy h ALA 142 N 0.71 0.99 -2.33 8.56 0.00 -0.43 -3.38 119.26 123.37 1jhy h ALA 142 Ca -0.47 -0.35 0.11 0.00 0.00 0.00 0.00 54.91 54.20 1jhy h ALA 142 Cb 1.21 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1jhy h ALA 142 CO 0.59 0.60 0.43 0.00 0.00 0.00 0.00 179.25 180.87 1jhy n MET 143 N -4.12 0.50 -2.94 0.00 0.00 -0.60 -0.78 117.12 109.18 1jhy n MET 143 Ca 0.00 -1.13 -0.29 0.00 0.00 0.00 0.00 57.70 56.27 1jhy n MET 143 Cb 0.41 1.53 -0.03 0.00 0.00 0.00 0.00 33.22 35.14 1jhy n MET 143 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1jhy s SER 144 N -2.81 6.47 0.24 3.17 1.04 -1.26 -4.56 113.70 116.00 1jhy s SER 144 Ca 0.17 1.01 -0.05 0.00 0.48 0.00 0.00 55.95 57.56 1jhy s SER 144 Cb -0.02 -2.27 0.35 0.00 0.10 0.00 0.00 66.02 64.18 1jhy s SER 144 CO 0.04 -0.37 1.85 -0.09 0.98 0.00 0.00 173.24 175.65 1jhy h ARG 145 N 1.23 0.92 -0.22 4.02 2.43 -1.93 -0.89 114.38 119.93 1jhy h ARG 145 Ca -0.47 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 58.69 1jhy h ARG 145 Cb 1.19 -0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 30.49 1jhy h ARG 145 CO 0.64 0.61 -0.08 -0.07 -1.51 0.00 0.00 179.97 179.56 1jhy h LEU 146 N 0.95 -0.26 -1.13 3.80 4.07 -1.99 0.58 115.31 121.33 1jhy h LEU 146 Ca 0.38 0.07 0.04 0.00 0.08 0.00 0.00 57.88 58.45 1jhy h LEU 146 Cb 0.21 0.16 -0.05 0.00 1.08 0.00 0.00 40.66 42.06 1jhy h LEU 146 CO -0.19 -0.10 0.59 1.56 -1.08 0.00 0.00 178.44 179.22 1jhy h GLN 147 N -0.03 1.09 -0.08 1.13 4.20 -1.69 0.14 115.11 119.87 1jhy h GLN 147 Ca 0.11 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 1jhy h GLN 147 Cb 0.20 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 27.73 1jhy h GLN 147 CO -0.25 0.72 -0.02 0.00 -0.67 0.00 0.00 178.83 178.62 1jhy h ALA 148 N 1.48 0.11 -0.92 3.87 0.00 -0.32 -2.47 119.26 121.00 1jhy h ALA 148 Ca 0.36 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1jhy h ALA 148 Cb 0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1jhy h ALA 148 CO -0.11 -0.16 0.54 0.93 0.00 0.00 0.00 179.25 180.44 1jhy h GLU 149 N -0.18 1.26 -0.28 0.00 5.08 -0.55 -1.38 114.58 118.53 1jhy h GLU 149 Ca 0.02 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1jhy h GLU 149 Cb 0.43 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1jhy h GLU 149 CO 0.01 0.90 0.11 0.00 -1.00 0.00 0.00 179.01 179.02 1jhy h ALA 150 N 1.31 0.37 -0.58 3.43 0.00 -0.95 -1.83 119.26 121.00 1jhy h ALA 150 Ca 0.33 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1jhy h ALA 150 Cb -0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1jhy h ALA 150 CO -0.06 -0.03 0.28 1.25 0.00 0.00 0.00 179.25 180.69 1jhy h LEU 151 N 0.30 0.76 -0.39 0.00 5.85 -1.23 -0.16 115.31 120.45 1jhy h LEU 151 Ca 0.09 -0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.76 1jhy h LEU 151 Cb 0.19 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 40.96 1jhy h LEU 151 CO -0.01 0.67 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.65 1jhy h LEU 152 N 0.79 -0.26 0.14 2.25 3.38 -1.11 0.07 115.31 120.57 1jhy h LEU 152 Ca 0.20 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1jhy h LEU 152 Cb 0.12 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1jhy h LEU 152 CO -0.03 -0.09 -0.13 0.25 0.09 0.00 0.00 178.44 178.54 1jhy h LEU 153 N 0.05 -0.34 -0.37 1.67 5.85 -0.85 -0.59 115.31 120.73 1jhy h LEU 153 Ca 0.19 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.95 1jhy h LEU 153 Cb 0.28 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1jhy h LEU 153 CO -0.36 -0.20 0.24 -0.08 -0.34 0.00 0.00 178.44 177.70 1jhy h GLU 154 N -0.29 0.48 -0.35 1.25 4.81 -0.76 -2.04 114.58 117.68 1jhy h GLU 154 Ca 0.00 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.07 1jhy h GLU 154 Cb 0.27 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1jhy h GLU 154 CO -0.03 0.32 -0.30 0.28 -0.73 0.00 0.00 179.01 178.54 1jhy h VAL 155 N 0.49 1.28 -0.49 0.32 2.07 -0.93 -2.18 116.25 116.80 1jhy h VAL 155 Ca 0.14 -1.45 0.08 0.00 0.82 0.00 0.00 66.70 66.30 1jhy h VAL 155 Cb -0.05 1.33 -0.07 0.00 -1.52 0.00 0.00 31.29 30.98 1jhy h VAL 155 CO -0.04 0.48 0.09 0.28 0.02 0.00 0.00 177.57 178.40 1jhy h SER 156 N 0.65 -0.01 -0.21 0.57 0.02 -0.94 -0.07 113.55 113.57 1jhy h SER 156 Ca 0.07 0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 61.04 1jhy h SER 156 Cb 0.83 0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.49 1jhy h SER 156 CO 0.07 0.02 -0.15 0.03 -1.14 0.00 0.00 176.83 175.66 1jhy h ARG 157 N 0.23 0.47 -0.78 3.45 -0.00 -1.28 -2.15 114.38 114.32 1jhy h ARG 157 Ca 0.25 -0.23 0.10 0.00 -0.50 0.00 0.00 59.98 59.60 1jhy h ARG 157 Cb 0.33 -0.00 -0.07 0.00 0.00 0.00 0.00 29.97 30.23 1jhy h ARG 157 CO -0.33 0.79 0.42 -0.92 0.00 0.00 0.00 179.97 179.92 1jhy h TYR 158 N 0.16 0.75 0.15 3.04 3.20 -1.00 0.45 116.97 123.72 1jhy h TYR 158 Ca 0.04 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 1jhy h TYR 158 Cb 0.67 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.73 1jhy h TYR 158 CO 0.07 0.28 -0.07 1.15 -1.64 0.00 0.00 178.16 177.95 1jhy h THR 159 N 0.69 0.88 -0.14 1.81 2.02 -0.88 -2.56 112.91 114.73 1jhy h THR 159 Ca 0.38 -0.09 -0.06 0.00 0.77 0.00 0.00 66.41 67.40 1jhy h THR 159 Cb 0.40 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 1jhy h THR 159 CO -0.27 0.02 -0.20 0.00 0.37 0.00 0.00 175.52 175.44 1jhy h ASP 161 N 0.22 1.10 -0.03 0.00 2.03 -0.71 -1.44 116.42 117.59 1jhy h ASP 161 Ca 0.04 -0.10 -0.01 0.00 -0.73 0.00 0.00 57.03 56.23 1jhy h ASP 161 Cb 0.49 -0.28 -0.00 0.00 -0.83 0.00 0.00 39.33 38.70 1jhy h ASP 161 CO 0.03 0.89 0.01 -0.07 -1.03 0.00 0.00 179.24 179.08 1jhy h LEU 162 N 1.23 0.07 -0.97 0.15 3.38 -1.04 -0.60 115.31 117.53 1jhy h LEU 162 Ca 0.31 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.29 1jhy h LEU 162 Cb 0.05 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 1jhy h LEU 162 CO -0.05 0.08 0.64 0.00 0.09 0.00 0.00 178.44 179.20 1jhy h ALA 163 N 1.94 1.25 0.00 1.53 0.00 -1.24 -0.68 119.26 122.06 1jhy h ALA 163 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1jhy h ALA 163 Cb 0.04 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.45 1jhy h ALA 163 CO -0.00 0.58 0.05 1.96 0.00 0.00 0.00 179.25 181.85 1jhy h GLN 164 N 1.28 0.00 -0.43 0.00 4.20 -1.02 -1.34 115.11 117.80 1jhy h GLN 164 Ca 0.37 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.08 1jhy h GLN 164 Cb -0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.69 1jhy h GLN 164 CO -0.09 0.00 0.00 0.54 -0.67 0.00 0.00 178.83 178.61 1jhy n ARG 165 N -3.02 3.97 0.00 1.46 1.74 -0.28 -4.95 116.66 115.58 1jhy n ARG 165 Ca -0.03 -3.01 0.00 0.00 -0.77 0.00 0.00 57.85 54.04 1jhy n ARG 165 Cb 0.12 -2.06 0.00 0.00 -1.02 0.00 0.00 32.46 29.50 1jhy n ARG 165 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jhy n GLY 166 N 0.12 0.14 3.72 -0.13 0.00 -0.51 -5.01 105.19 103.52 1jhy n GLY 166 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 1jhy n GLY 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jhy s VAL 167 N -2.02 3.64 -0.04 1.61 1.01 -1.09 -1.90 120.40 121.61 1jhy s VAL 167 Ca 0.00 1.22 0.01 0.00 0.00 0.00 0.00 61.98 63.21 1jhy s VAL 167 Cb 0.00 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 1jhy s VAL 167 CO 0.00 0.12 0.04 0.35 0.00 0.00 0.00 175.10 175.61 1jhy n THR 168 N 3.59 0.00 -3.82 3.92 -2.24 0.61 -4.38 114.28 111.95 1jhy n THR 168 Ca 0.09 -0.32 -0.20 0.00 -2.27 0.00 0.00 64.05 61.35 1jhy n THR 168 Cb 0.44 0.82 -0.17 0.00 -2.10 0.00 0.00 70.33 69.32 1jhy n THR 168 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1jhy s LEU 169 N -2.41 0.72 0.19 3.22 2.96 -1.14 -4.13 118.68 118.08 1jhy s LEU 169 Ca 0.00 -0.03 0.08 0.00 -0.22 0.00 0.00 54.13 53.96 1jhy s LEU 169 Cb 0.01 -0.30 -0.04 0.00 0.50 0.00 0.00 46.19 46.36 1jhy s LEU 169 CO 0.05 -0.17 0.01 -0.36 -1.32 0.00 0.00 176.35 174.56 1jhy s PHE 170 N 1.65 2.83 0.02 5.38 0.40 -0.88 -1.67 117.98 125.71 1jhy s PHE 170 Ca -0.01 -0.15 0.04 0.00 -0.60 0.00 0.00 56.93 56.21 1jhy s PHE 170 Cb -0.13 -1.35 -0.02 0.00 0.51 0.00 0.00 43.02 42.04 1jhy s PHE 170 CO -0.03 0.53 -0.11 0.20 0.70 0.00 0.00 175.22 176.51 1jhy s GLY 171 N -3.10 0.61 0.04 4.36 0.00 0.39 -0.33 107.32 109.30 1jhy s GLY 171 Ca 0.28 -0.65 0.07 0.00 0.00 0.00 0.00 44.72 44.42 1jhy s GLY 171 CO 0.19 -0.62 -0.17 -1.34 0.00 0.00 0.00 173.10 171.16 1jhy s VAL 172 N -0.69 2.87 0.30 1.40 -7.23 -1.04 -1.13 120.40 114.89 1jhy s VAL 172 Ca 0.01 -1.16 -0.12 0.00 -1.81 0.00 0.00 61.98 58.90 1jhy s VAL 172 Cb -0.06 -2.22 0.01 0.00 0.56 0.00 0.00 36.38 34.67 1jhy s VAL 172 CO 0.01 0.33 0.56 -0.83 -0.31 0.00 0.00 175.10 174.85 1jhy s GLY 173 N -1.47 0.69 0.25 2.32 0.00 -0.21 -4.13 107.32 104.77 1jhy s GLY 173 Ca 0.15 -0.96 -0.07 0.00 0.00 0.00 0.00 44.72 43.84 1jhy s GLY 173 CO 0.06 -0.61 0.38 -1.83 0.00 0.00 0.00 173.10 171.09 1jhy s GLU 174 N -3.46 1.52 -0.30 2.90 4.04 -1.26 -1.23 118.70 120.92 1jhy s GLU 174 Ca 0.22 -1.46 -0.06 0.00 0.04 0.00 0.00 54.97 53.71 1jhy s GLU 174 Cb -0.02 0.41 0.16 0.00 0.02 0.00 0.00 34.13 34.69 1jhy s GLU 174 CO 0.12 -0.60 0.62 -1.17 -1.84 0.00 0.00 175.26 172.39 1jhy s LEU 175 N -3.10 -1.24 -0.30 1.83 2.96 -0.77 -2.07 118.68 115.99 1jhy s LEU 175 Ca 0.29 1.22 -0.16 0.00 -0.22 0.00 0.00 54.13 55.26 1jhy s LEU 175 Cb 0.02 2.20 0.17 0.00 0.50 0.00 0.00 46.19 49.08 1jhy s LEU 175 CO 0.12 -0.24 1.16 -0.83 -1.32 0.00 0.00 176.35 175.24 1jhy s GLY 176 N 2.87 -0.19 0.22 7.98 0.00 -1.26 -1.24 107.32 115.71 1jhy s GLY 176 Ca 0.07 2.99 -0.32 0.00 0.00 0.00 0.00 44.72 47.46 1jhy s GLY 176 CO -0.20 3.92 1.49 1.03 0.00 0.00 0.00 173.10 179.34 1jhy n MET 177 N 5.48 2.18 -0.94 2.90 2.81 -1.26 -1.56 117.12 126.73 1jhy n MET 177 Ca -0.08 0.78 0.00 0.00 -1.81 0.00 0.00 57.70 56.59 1jhy n MET 177 Cb 0.54 -2.49 0.00 0.00 -0.71 0.00 0.00 33.22 30.56 1jhy n MET 177 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1jhy n ALA 178 N 2.43 0.00 0.30 3.04 0.00 -1.26 -4.27 120.51 120.75 1jhy n ALA 178 Ca 0.13 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.62 1jhy n ALA 178 Cb 0.31 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.01 1jhy n ALA 178 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1jhy n ASN 179 N 0.00 0.11 0.10 0.00 0.23 -0.60 -2.02 115.26 113.07 1jhy n ASN 179 Ca 0.00 0.54 0.12 0.00 -0.53 0.00 0.00 54.58 54.71 1jhy n ASN 179 Cb 0.00 -0.56 0.45 0.00 -2.08 0.00 0.00 39.78 37.60 1jhy n ASN 179 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1jhy n THR 180 N -1.63 0.64 0.15 5.53 -2.24 -1.26 -2.41 114.28 113.05 1jhy n THR 180 Ca 0.02 -0.05 -0.09 0.00 -2.27 0.00 0.00 64.05 61.66 1jhy n THR 180 Cb 0.11 -0.79 -0.05 0.00 -2.10 0.00 0.00 70.33 67.50 1jhy n THR 180 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1jhy h THR 181 N 0.00 0.22 -0.72 4.28 2.02 -1.78 -1.38 112.91 115.55 1jhy h THR 181 Ca 0.00 -0.74 0.02 0.00 0.77 0.00 0.00 66.41 66.46 1jhy h THR 181 Cb 0.56 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 1jhy h THR 181 CO 0.00 0.06 0.48 1.55 0.37 0.00 0.00 175.52 177.97 1jhy h PRO 182 N -1.06 0.90 -0.53 6.66 0.13 -1.74 -1.20 132.00 135.16 1jhy h PRO 182 Ca -0.05 -0.05 0.05 0.00 -0.87 0.00 0.00 66.00 65.08 1jhy h PRO 182 Cb 0.44 -0.20 -0.05 0.00 0.13 0.00 0.00 31.00 31.31 1jhy h PRO 182 CO 0.08 0.60 0.26 0.00 -0.23 0.00 0.00 178.00 178.70 1jhy h ALA 183 N 1.56 0.68 -0.59 -0.56 0.00 -1.53 -0.45 119.26 118.38 1jhy h ALA 183 Ca 0.27 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.14 1jhy h ALA 183 Cb -0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1jhy h ALA 183 CO -0.07 -0.10 0.05 0.00 0.00 0.00 0.00 179.25 179.13 1jhy h ALA 184 N 1.30 0.99 -0.56 0.00 0.00 -0.23 -1.64 119.26 119.12 1jhy h ALA 184 Ca 0.24 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1jhy h ALA 184 Cb 0.18 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1jhy h ALA 184 CO -0.18 0.63 0.29 0.00 0.00 0.00 0.00 179.25 179.98 1jhy h ALA 185 N 1.14 0.72 -0.30 0.00 0.00 -0.31 0.05 119.26 120.55 1jhy h ALA 185 Ca 0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1jhy h ALA 185 Cb 0.46 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1jhy h ALA 185 CO 0.02 0.26 0.15 0.52 0.00 0.00 0.00 179.25 180.20 1jhy h MET 186 N 0.75 0.43 -0.64 0.00 2.86 -0.96 -1.50 114.93 115.88 1jhy h MET 186 Ca 0.19 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.81 1jhy h MET 186 Cb 0.09 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.62 1jhy h MET 186 CO -0.03 0.40 0.38 0.28 1.06 0.00 0.00 176.91 179.00 1jhy h VAL 187 N 0.36 1.04 -0.19 -2.22 2.07 -0.99 0.43 116.25 116.74 1jhy h VAL 187 Ca 0.11 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.39 1jhy h VAL 187 Cb 0.10 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1jhy h VAL 187 CO -0.01 0.13 0.08 -1.28 0.02 0.00 0.00 177.57 176.51 1jhy h SER 188 N 0.74 0.12 0.42 0.57 0.87 -0.67 -1.12 113.55 114.47 1jhy h SER 188 Ca 0.27 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.82 1jhy h SER 188 Cb 0.08 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1jhy h SER 188 CO -0.13 0.09 -0.20 0.58 -0.53 0.00 0.00 176.83 176.65 1jhy h VAL 189 N 0.19 0.59 -0.04 2.23 2.07 -0.80 0.40 116.25 120.88 1jhy h VAL 189 Ca 0.08 -0.03 -0.08 0.00 0.82 0.00 0.00 66.70 67.50 1jhy h VAL 189 Cb 0.03 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1jhy h VAL 189 CO -0.07 0.01 -0.33 -0.26 0.02 0.00 0.00 177.57 176.93 1jhy h PHE 190 N -0.57 0.09 0.00 1.57 0.04 -0.90 -3.21 116.94 113.96 1jhy h PHE 190 Ca -0.06 -0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.62 1jhy h PHE 190 Cb 0.44 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 1jhy h PHE 190 CO -0.04 0.41 -1.43 2.41 -0.60 0.00 0.00 178.31 179.06 1jhy n THR 191 N -4.12 0.70 -1.35 -1.55 -1.04 -0.43 -4.96 114.28 101.53 1jhy n THR 191 Ca -0.02 -0.60 -0.06 0.00 -2.04 0.00 0.00 64.05 61.33 1jhy n THR 191 Cb 0.39 -0.39 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 1jhy n THR 191 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jhy n GLY 192 N 1.30 0.71 3.88 3.41 0.00 0.13 -5.01 105.19 109.61 1jhy n GLY 192 Ca -0.06 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 44.89 1jhy n GLY 192 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jhy s SER 193 N -2.90 6.58 0.44 1.61 0.01 -0.85 -5.03 113.70 113.56 1jhy s SER 193 Ca 0.00 0.81 -0.22 0.00 1.31 0.00 0.00 55.95 57.85 1jhy s SER 193 Cb 0.00 -2.18 -0.09 0.00 0.21 0.00 0.00 66.02 63.96 1jhy s SER 193 CO 0.00 -0.04 1.05 -0.62 0.41 0.00 0.00 173.24 174.04 1jhy s ASP 194 N -2.42 6.55 0.34 2.44 2.15 -1.26 -4.60 116.67 119.87 1jhy s ASP 194 Ca 0.45 2.02 0.11 0.00 0.43 0.00 0.00 52.55 55.56 1jhy s ASP 194 Cb -0.11 -2.58 0.88 0.00 -0.30 0.00 0.00 42.92 40.81 1jhy s ASP 194 CO 0.23 -0.64 1.78 0.00 -0.17 0.00 0.00 175.17 176.37 1jhy h ALA 195 N 2.09 1.88 -0.56 3.66 0.00 -1.94 -0.93 119.26 123.46 1jhy h ALA 195 Ca -0.49 0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.53 1jhy h ALA 195 Cb 1.22 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1jhy h ALA 195 CO 0.61 -0.26 0.37 1.57 0.00 0.00 0.00 179.25 181.54 1jhy h LYS 196 N 0.62 0.62 0.00 0.00 -0.00 -1.91 -1.38 116.57 114.51 1jhy h LYS 196 Ca 0.58 -0.04 -0.07 0.00 -0.00 0.00 0.00 60.65 61.12 1jhy h LYS 196 Cb 1.10 -0.14 -0.01 0.00 -0.00 0.00 0.00 32.23 33.18 1jhy h LYS 196 CO -0.35 0.41 -0.34 0.93 -0.00 0.00 0.00 179.45 180.10 1jhy h GLU 197 N 0.64 0.00 -0.01 0.07 5.08 -1.54 -3.30 114.58 115.52 1jhy h GLU 197 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1jhy h GLU 197 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1jhy h GLU 197 CO -0.06 0.34 -0.01 1.33 -1.00 0.00 0.00 179.01 179.61 1jhy n VAL 198 N -3.53 0.00 -3.16 3.13 0.24 -0.94 -4.22 118.33 109.85 1jhy n VAL 198 Ca -0.00 -0.49 -0.40 0.00 -2.04 0.00 0.00 64.34 61.41 1jhy n VAL 198 Cb 0.48 1.17 -0.06 0.00 -1.47 0.00 0.00 33.84 33.97 1jhy n VAL 198 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1jhy s VAL 199 N -0.74 5.05 0.20 3.34 1.01 -0.56 -3.71 120.40 124.99 1jhy s VAL 199 Ca 0.10 1.12 0.02 0.00 0.00 0.00 0.00 61.98 63.22 1jhy s VAL 199 Cb 0.07 -3.92 0.02 0.00 0.00 0.00 0.00 36.38 32.55 1jhy s VAL 199 CO 0.11 0.14 0.15 0.61 0.00 0.00 0.00 175.10 176.12 1jhy n GLY 200 N 3.78 2.92 0.12 4.51 0.00 -1.26 -4.80 105.19 110.47 1jhy n GLY 200 Ca -0.02 -2.22 0.15 0.00 0.00 0.00 0.00 46.02 43.93 1jhy n GLY 200 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1jhy n ILE 201 N -0.99 0.00 -0.05 -0.61 -5.35 -1.26 -4.95 119.36 106.16 1jhy n ILE 201 Ca -0.01 -0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 1jhy n ILE 201 Cb 0.23 -0.16 0.00 0.00 -1.74 0.00 0.00 39.64 37.97 1jhy n ILE 201 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jhy n GLY 202 N 1.20 3.15 3.26 3.28 0.00 -1.26 0.23 105.19 115.05 1jhy n GLY 202 Ca 0.17 -0.05 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 1jhy n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jhy n ALA 203 N 9.79 4.39 -3.54 4.61 0.00 -1.26 -4.54 120.51 129.96 1jhy n ALA 203 Ca 0.00 -4.29 -0.22 0.00 0.00 0.00 0.00 53.44 48.93 1jhy n ALA 203 Cb 0.00 -3.00 0.08 0.00 0.00 0.00 0.00 19.45 16.53 1jhy n ALA 203 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jhy n ASN 204 N 4.91 -4.99 -4.72 0.00 3.02 -1.15 -4.67 115.26 107.66 1jhy n ASN 204 Ca 0.37 -0.56 -0.42 0.00 -0.03 0.00 0.00 54.58 53.94 1jhy n ASN 204 Cb 0.40 -5.05 -0.03 0.00 -0.61 0.00 0.00 39.78 34.49 1jhy n ASN 204 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1jhy s LEU 205 N -6.99 4.39 0.43 3.41 2.96 0.13 -4.89 118.68 118.13 1jhy s LEU 205 Ca 0.40 2.27 -0.26 0.00 -0.22 0.00 0.00 54.13 56.32 1jhy s LEU 205 Cb -0.18 -3.59 -0.09 0.00 0.50 0.00 0.00 46.19 42.84 1jhy s LEU 205 CO 0.73 -0.55 1.38 -2.84 -1.32 0.00 0.00 176.35 173.75 1jhy s PRO 206 N 0.63 3.83 0.43 0.98 0.02 -1.26 -4.83 135.00 134.80 1jhy s PRO 206 Ca 0.60 2.32 0.22 0.00 0.02 0.00 0.00 61.00 64.16 1jhy s PRO 206 Cb -0.35 -2.72 1.19 0.00 0.02 0.00 0.00 34.50 32.64 1jhy s PRO 206 CO 0.33 -0.67 1.81 -1.00 -0.33 0.00 0.00 177.00 177.14 1jhy h PRO 207 N 2.52 0.30 0.38 5.54 0.13 -1.99 -1.34 132.00 137.54 1jhy h PRO 207 Ca -0.50 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.59 1jhy h PRO 207 Cb 1.26 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1jhy h PRO 207 CO 0.62 0.20 -0.18 0.66 -0.23 0.00 0.00 178.00 179.06 1jhy h SER 208 N 0.31 -0.44 0.00 1.44 4.64 -2.03 -2.88 113.55 114.60 1jhy h SER 208 Ca 0.54 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 1jhy h SER 208 Cb 1.53 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.74 1jhy h SER 208 CO -0.20 -0.31 0.05 0.54 -0.87 0.00 0.00 176.83 176.04 1jhy n ARG 209 N -5.31 0.03 -0.01 4.77 1.74 -0.51 -3.42 116.66 113.95 1jhy n ARG 209 Ca -0.11 0.50 -0.09 0.00 -0.77 0.00 0.00 57.85 57.38 1jhy n ARG 209 Cb 0.22 -1.66 -0.03 0.00 -1.02 0.00 0.00 32.46 29.98 1jhy n ARG 209 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1jhy h ILE 210 N 0.00 0.63 -0.83 0.55 1.08 -1.49 -2.63 117.51 114.82 1jhy h ILE 210 Ca 0.00 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.66 1jhy h ILE 210 Cb 0.09 0.63 -0.11 0.00 -3.07 0.00 0.00 36.82 34.35 1jhy h ILE 210 CO 0.00 0.00 0.32 0.44 -0.69 0.00 0.00 178.15 178.22 1jhy h ASP 211 N -0.16 0.25 -0.83 1.72 3.45 -1.79 0.30 116.42 119.36 1jhy h ASP 211 Ca 0.10 0.14 -0.04 0.00 0.43 0.00 0.00 57.03 57.66 1jhy h ASP 211 Cb 0.30 0.14 -0.04 0.00 -0.56 0.00 0.00 39.33 39.17 1jhy h ASP 211 CO -0.24 0.02 0.38 -1.13 -1.57 0.00 0.00 179.24 176.70 1jhy h ASN 212 N 0.39 1.11 -0.43 6.45 -1.24 -1.73 -1.54 115.58 118.59 1jhy h ASN 212 Ca 0.49 -0.15 0.01 0.00 0.71 0.00 0.00 56.30 57.36 1jhy h ASN 212 Cb 0.87 -0.29 -0.02 0.00 0.73 0.00 0.00 38.32 39.61 1jhy h ASN 212 CO -0.50 0.95 0.28 0.50 -1.29 0.00 0.00 177.43 177.38 1jhy h LYS 213 N 1.20 0.55 -0.53 6.67 3.64 -0.25 -0.98 116.57 126.87 1jhy h LYS 213 Ca 0.28 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1jhy h LYS 213 Cb 0.15 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 1jhy h LYS 213 CO -0.03 0.36 0.33 0.28 -2.27 0.00 0.00 179.45 178.12 1jhy h VAL 214 N 0.57 1.15 -0.92 2.00 2.07 -0.90 -1.68 116.25 118.53 1jhy h VAL 214 Ca 0.16 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1jhy h VAL 214 Cb -0.04 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.09 1jhy h VAL 214 CO -0.05 0.15 0.58 0.44 0.02 0.00 0.00 177.57 178.71 1jhy h ASP 215 N 0.71 1.08 -0.64 0.57 3.32 -0.89 -1.96 116.42 118.61 1jhy h ASP 215 Ca 0.19 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1jhy h ASP 215 Cb -0.04 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.20 1jhy h ASP 215 CO -0.04 0.81 0.34 0.58 -1.72 0.00 0.00 179.24 179.21 1jhy h VAL 216 N 1.26 1.21 -0.27 -1.35 2.07 -0.66 -0.82 116.25 117.68 1jhy h VAL 216 Ca 0.33 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1jhy h VAL 216 Cb -0.09 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1jhy h VAL 216 CO -0.07 0.23 0.14 0.58 0.02 0.00 0.00 177.57 178.47 1jhy h VAL 217 N 0.87 1.14 -0.67 2.57 2.07 -0.97 -1.17 116.25 120.09 1jhy h VAL 217 Ca 0.22 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.38 1jhy h VAL 217 Cb 0.06 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 1jhy h VAL 217 CO -0.03 0.14 0.43 0.03 0.02 0.00 0.00 177.57 178.15 1jhy h ARG 218 N 0.31 0.82 -0.40 1.57 3.08 -1.11 -2.10 114.38 116.55 1jhy h ARG 218 Ca 0.09 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 1jhy h ARG 218 Cb 0.10 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1jhy h ARG 218 CO -0.01 0.54 0.24 0.00 -1.07 0.00 0.00 179.97 179.68 1jhy h ARG 219 N 0.85 0.54 -0.69 0.04 3.08 -0.93 0.12 114.38 117.39 1jhy h ARG 219 Ca 0.26 -0.05 0.11 0.00 0.07 0.00 0.00 59.98 60.37 1jhy h ARG 219 Cb -0.02 -0.11 -0.08 0.00 0.08 0.00 0.00 29.97 29.84 1jhy h ARG 219 CO -0.09 0.40 0.31 0.00 -1.07 0.00 0.00 179.97 179.51 1jhy h ALA 220 N 1.11 0.95 -0.09 0.04 0.00 -0.77 0.10 119.26 120.61 1jhy h ALA 220 Ca 0.14 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1jhy h ALA 220 Cb -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1jhy h ALA 220 CO -0.03 -0.13 -0.11 0.82 0.00 0.00 0.00 179.25 179.81 1jhy h ILE 221 N 0.51 1.37 -0.40 0.00 2.04 -1.04 -1.96 117.51 118.04 1jhy h ILE 221 Ca 0.35 -1.30 0.02 0.00 1.00 0.00 0.00 64.86 64.93 1jhy h ILE 221 Cb 0.44 2.03 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 1jhy h ILE 221 CO -0.31 0.37 0.24 0.00 0.00 0.00 0.00 178.15 178.44 1jhy h ALA 222 N 0.55 0.50 -0.38 1.87 0.00 -0.59 0.70 119.26 121.92 1jhy h ALA 222 Ca 0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1jhy h ALA 222 Cb 0.64 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1jhy h ALA 222 CO 0.03 -0.09 0.06 0.82 0.00 0.00 0.00 179.25 180.07 1jhy h ILE 223 N 0.48 1.24 0.00 0.00 2.04 -0.85 -3.31 117.51 117.12 1jhy h ILE 223 Ca 0.16 -0.85 -0.16 0.00 1.00 0.00 0.00 64.86 65.01 1jhy h ILE 223 Cb -0.00 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 1jhy h ILE 223 CO -0.07 0.29 -1.32 0.78 0.00 0.00 0.00 178.15 177.83 1jhy h ASN 224 N 0.47 0.00 -6.31 1.72 2.35 -1.29 -3.49 115.58 109.03 1jhy h ASN 224 Ca 0.12 0.00 -0.46 0.00 -0.55 0.00 0.00 56.30 55.41 1jhy h ASN 224 Cb 0.36 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.75 1jhy h ASN 224 CO 0.01 0.57 -0.90 0.00 -1.65 0.00 0.00 177.43 175.46 1jhy n GLN 225 N -2.92 -2.77 -2.09 0.81 1.13 0.23 -4.89 117.38 106.88 1jhy n GLN 225 Ca -0.08 0.46 -0.37 0.00 -1.94 0.00 0.00 57.00 55.07 1jhy n GLN 225 Cb 0.83 -4.49 0.01 0.00 0.11 0.00 0.00 30.24 26.70 1jhy n GLN 225 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1jhy s PRO 226 N -6.22 3.37 -0.33 -1.09 0.04 -1.26 -4.97 135.00 124.54 1jhy s PRO 226 Ca 0.19 1.87 -0.18 0.00 0.04 0.00 0.00 61.00 62.92 1jhy s PRO 226 Cb -0.07 -2.20 -0.01 0.00 0.04 0.00 0.00 34.50 32.26 1jhy s PRO 226 CO 0.86 -0.89 0.50 1.21 0.04 0.00 0.00 177.00 178.72 1jhy s ASN 227 N -1.38 6.32 0.65 6.66 2.47 -1.26 -4.92 114.94 123.48 1jhy s ASN 227 Ca 0.70 0.06 0.42 0.00 0.42 0.00 0.00 52.86 54.46 1jhy s ASN 227 Cb -0.31 -2.26 2.30 0.00 -1.45 0.00 0.00 41.25 39.52 1jhy s ASN 227 CO 0.36 -0.43 2.34 1.55 -3.72 0.00 0.00 177.10 177.20 1jhy h PRO 228 N 8.38 0.00 -0.00 0.43 0.14 -1.93 0.43 132.00 139.45 1jhy h PRO 228 Ca -0.28 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.86 1jhy h PRO 228 Cb 1.13 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.27 1jhy h PRO 228 CO 0.75 0.00 -0.25 0.54 0.14 0.00 0.00 178.00 179.19 1jhy n ARG 229 N -3.20 0.07 -3.90 0.86 3.00 -1.26 -4.53 116.66 107.70 1jhy n ARG 229 Ca -0.03 -0.03 -0.33 0.00 -0.01 0.00 0.00 57.85 57.46 1jhy n ARG 229 Cb 0.09 -1.50 -0.13 0.00 0.00 0.00 0.00 32.46 30.91 1jhy n ARG 229 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1jhy s ASP 230 N -2.95 4.86 0.37 0.55 -1.08 0.14 -4.95 116.67 113.61 1jhy s ASP 230 Ca 0.14 -2.42 0.08 0.00 -0.52 0.00 0.00 52.55 49.83 1jhy s ASP 230 Cb 0.18 -1.71 0.80 0.00 -1.46 0.00 0.00 42.92 40.73 1jhy s ASP 230 CO 0.60 -0.39 1.94 1.23 0.52 0.00 0.00 175.17 179.08 1jhy h GLY 231 N 7.38 0.94 1.47 2.66 0.00 -1.80 -0.21 103.07 113.52 1jhy h GLY 231 Ca -0.07 -0.28 -0.13 0.00 0.00 0.00 0.00 47.33 46.85 1jhy h GLY 231 CO 0.63 0.18 -0.41 -2.22 0.00 0.00 0.00 176.54 174.72 1jhy h ILE 232 N 0.69 1.30 -0.33 2.60 2.04 -1.92 -0.80 117.51 121.09 1jhy h ILE 232 Ca 0.33 -1.58 -0.00 0.00 1.00 0.00 0.00 64.86 64.61 1jhy h ILE 232 Cb 0.40 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 1jhy h ILE 232 CO -0.12 0.50 0.20 -0.78 0.00 0.00 0.00 178.15 177.95 1jhy h ASP 233 N 0.48 0.40 -0.09 1.72 1.82 -1.39 -1.66 116.42 117.70 1jhy h ASP 233 Ca 0.04 -0.06 -0.01 0.00 -0.39 0.00 0.00 57.03 56.61 1jhy h ASP 233 Cb 0.91 -0.10 -0.00 0.00 0.68 0.00 0.00 39.33 40.82 1jhy h ASP 233 CO 0.08 0.35 0.02 0.58 -1.61 0.00 0.00 179.24 178.65 1jhy h VAL 234 N 0.43 1.21 -0.54 2.25 2.07 -1.03 -2.33 116.25 118.30 1jhy h VAL 234 Ca 0.12 -0.64 0.08 0.00 0.82 0.00 0.00 66.70 67.08 1jhy h VAL 234 Cb 0.02 1.46 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 1jhy h VAL 234 CO -0.02 0.18 0.19 -0.07 0.02 0.00 0.00 177.57 177.87 1jhy h LEU 235 N -0.07 0.17 -0.85 2.57 3.38 -1.01 -1.23 115.31 118.27 1jhy h LEU 235 Ca 0.03 0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 1jhy h LEU 235 Cb 0.27 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1jhy h LEU 235 CO 0.00 0.12 -0.40 0.77 0.09 0.00 0.00 178.44 179.02 1jhy h SER 236 N 0.36 0.38 0.00 -0.43 4.64 -1.23 -0.80 113.55 116.48 1jhy h SER 236 Ca 0.27 -0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1jhy h SER 236 Cb 0.31 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1jhy h SER 236 CO -0.28 0.75 -0.07 0.11 -0.87 0.00 0.00 176.83 176.47 1jhy h LYS 237 N 0.31 0.00 -0.17 4.77 1.57 -1.14 -1.42 116.57 120.49 1jhy h LYS 237 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1jhy h LYS 237 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1jhy h LYS 237 CO 0.07 0.12 0.00 1.33 -0.57 0.00 0.00 179.45 180.39 1jhy n VAL 238 N -4.74 1.82 -0.14 0.50 0.24 -0.49 -1.26 118.33 114.26 1jhy n VAL 238 Ca -0.02 -1.76 0.00 0.00 -2.04 0.00 0.00 64.34 60.52 1jhy n VAL 238 Cb 0.09 -0.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.41 1jhy n VAL 238 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jhy n GLY 239 N -0.62 1.89 3.74 7.63 0.00 -0.30 -4.54 105.19 112.99 1jhy n GLY 239 Ca 0.16 -1.76 -0.05 0.00 0.00 0.00 0.00 46.02 44.37 1jhy n GLY 239 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jhy s GLY 240 N 0.00 -0.24 0.23 -0.02 0.00 -1.25 -4.76 107.32 101.28 1jhy s GLY 240 Ca 0.00 0.15 -0.07 0.00 0.00 0.00 0.00 44.72 44.80 1jhy s GLY 240 CO 0.00 0.02 1.87 0.74 0.00 0.00 0.00 173.10 175.73 1jhy h PHE 241 N 2.00 1.21 -0.45 1.90 0.05 -1.90 -0.48 116.94 119.28 1jhy h PHE 241 Ca -0.23 -0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.53 1jhy h PHE 241 Cb 1.24 -0.39 -0.02 0.00 2.00 0.00 0.00 35.95 38.77 1jhy h PHE 241 CO 0.37 0.82 0.24 0.38 -0.18 0.00 0.00 178.31 179.94 1jhy h ASP 242 N 1.25 0.57 -0.62 2.17 -0.00 -1.86 0.93 116.42 118.86 1jhy h ASP 242 Ca 0.32 -0.10 -0.03 0.00 -0.00 0.00 0.00 57.03 57.23 1jhy h ASP 242 Cb -0.02 -0.14 -0.03 0.00 -0.00 0.00 0.00 39.33 39.14 1jhy h ASP 242 CO -0.06 0.50 0.28 -0.07 -0.00 0.00 0.00 179.24 179.90 1jhy h LEU 243 N 0.58 0.83 -0.07 0.15 4.07 -1.84 -1.33 115.31 117.70 1jhy h LEU 243 Ca 0.16 -0.15 -0.00 0.00 0.08 0.00 0.00 57.88 57.97 1jhy h LEU 243 Cb 0.07 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 41.59 1jhy h LEU 243 CO -0.02 0.74 0.04 0.58 -1.08 0.00 0.00 178.44 178.70 1jhy h VAL 244 N 0.85 1.06 -0.95 1.22 2.07 -0.84 -2.17 116.25 117.50 1jhy h VAL 244 Ca 0.21 -0.16 0.07 0.00 0.82 0.00 0.00 66.70 67.63 1jhy h VAL 244 Cb 0.15 1.03 -0.07 0.00 -1.52 0.00 0.00 31.29 30.89 1jhy h VAL 244 CO -0.02 0.05 0.61 1.23 0.02 0.00 0.00 177.57 179.46 1jhy h GLY 245 N 0.05 1.45 0.97 2.17 0.00 -0.46 -1.07 103.07 106.18 1jhy h GLY 245 Ca 0.03 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 1jhy h GLY 245 CO -0.00 0.30 0.13 -0.33 0.00 0.00 0.00 176.54 176.64 1jhy h MET 246 N 1.09 0.31 -0.99 4.80 2.07 -1.07 -1.03 114.93 120.10 1jhy h MET 246 Ca 0.42 -0.03 0.07 0.00 -2.07 0.00 0.00 59.70 58.09 1jhy h MET 246 Cb 0.19 -0.06 -0.07 0.00 -1.87 0.00 0.00 31.60 29.79 1jhy h MET 246 CO -0.18 0.25 0.64 1.15 1.07 0.00 0.00 176.91 179.85 1jhy h THR 247 N 0.27 1.08 -0.73 2.22 2.02 -0.92 -2.09 112.91 114.76 1jhy h THR 247 Ca 0.08 -0.40 -0.03 0.00 0.77 0.00 0.00 66.41 66.84 1jhy h THR 247 Cb 0.03 -0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 66.23 1jhy h THR 247 CO -0.01 0.21 0.34 1.23 0.37 0.00 0.00 175.52 177.66 1jhy h GLY 248 N 1.15 1.12 0.98 2.16 0.00 -0.56 -0.05 103.07 107.87 1jhy h GLY 248 Ca 0.43 -0.54 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 1jhy h GLY 248 CO -0.17 0.52 0.22 -2.08 0.00 0.00 0.00 176.54 175.02 1jhy h VAL 249 N 1.04 1.21 -0.74 4.60 2.07 -0.55 0.03 116.25 123.91 1jhy h VAL 249 Ca 0.25 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1jhy h VAL 249 Cb 0.11 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1jhy h VAL 249 CO -0.03 0.25 0.38 0.24 0.02 0.00 0.00 177.57 178.43 1jhy h MET 250 N 0.70 1.04 -0.40 1.57 2.86 -1.02 0.92 114.93 120.60 1jhy h MET 250 Ca 0.18 -0.14 -0.12 0.00 -2.06 0.00 0.00 59.70 57.56 1jhy h MET 250 Cb 0.18 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 1jhy h MET 250 CO -0.02 0.79 -0.23 -0.07 1.06 0.00 0.00 176.91 178.45 1jhy h LEU 251 N 1.02 0.81 -0.20 1.22 3.38 -0.73 -2.51 115.31 118.30 1jhy h LEU 251 Ca 0.26 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1jhy h LEU 251 Cb 0.07 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1jhy h LEU 251 CO -0.04 1.01 0.02 1.23 0.09 0.00 0.00 178.44 180.75 1jhy h GLY 252 N 0.95 0.38 0.98 0.83 0.00 -0.49 -1.95 103.07 103.77 1jhy h GLY 252 Ca 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 1jhy h GLY 252 CO 0.06 0.25 0.25 0.00 0.00 0.00 0.00 176.54 177.09 1jhy h ALA 253 N 0.81 0.57 -0.19 3.60 0.00 -0.83 -1.81 119.26 121.40 1jhy h ALA 253 Ca 0.06 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1jhy h ALA 253 Cb 0.36 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1jhy h ALA 253 CO 0.01 0.09 0.08 0.00 0.00 0.00 0.00 179.25 179.43 1jhy h ALA 254 N 1.10 0.22 -0.85 0.00 0.00 -1.41 0.35 119.26 118.67 1jhy h ALA 254 Ca 0.16 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1jhy h ALA 254 Cb 0.05 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1jhy h ALA 254 CO -0.03 -0.34 0.55 -0.09 0.00 0.00 0.00 179.25 179.34 1jhy h ARG 255 N 0.18 0.95 0.00 0.00 9.65 -1.24 0.33 114.38 124.25 1jhy h ARG 255 Ca 0.08 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1jhy h ARG 255 Cb 0.04 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 28.40 1jhy h ARG 255 CO -0.07 0.63 0.00 0.00 2.80 0.00 0.00 179.97 183.33 1jhy n GLY 257 N 1.03 -0.19 3.45 0.00 0.00 0.11 -4.03 105.19 105.57 1jhy n GLY 257 Ca 0.13 -0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 1jhy n GLY 257 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jhy s LEU 258 N -5.05 2.53 0.34 0.99 1.43 0.96 -0.81 118.68 119.07 1jhy s LEU 258 Ca 0.24 -0.97 -0.23 0.00 -1.03 0.00 0.00 54.13 52.14 1jhy s LEU 258 Cb -0.11 -1.11 -0.10 0.00 0.03 0.00 0.00 46.19 44.90 1jhy s LEU 258 CO 0.30 0.06 0.91 -2.16 0.23 0.00 0.00 176.35 175.69 1jhy s PRO 259 N -3.21 4.41 -0.07 1.29 0.04 -1.26 -4.02 135.00 132.18 1jhy s PRO 259 Ca 0.26 1.18 0.02 0.00 0.04 0.00 0.00 61.00 62.51 1jhy s PRO 259 Cb -0.06 -2.61 0.01 0.00 0.04 0.00 0.00 34.50 31.89 1jhy s PRO 259 CO 0.13 0.19 -0.14 0.08 0.04 0.00 0.00 177.00 177.31 1jhy s VAL 260 N -1.79 1.25 -0.20 -0.36 1.01 -0.62 -2.06 120.40 117.62 1jhy s VAL 260 Ca 0.53 -0.54 -0.18 0.00 0.00 0.00 0.00 61.98 61.79 1jhy s VAL 260 Cb -0.15 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 1jhy s VAL 260 CO 0.20 0.38 0.50 -0.76 0.00 0.00 0.00 175.10 175.42 1jhy s LEU 261 N 0.64 4.14 0.89 3.92 1.43 0.56 -0.88 118.68 129.39 1jhy s LEU 261 Ca -0.15 0.64 -0.12 0.00 -1.03 0.00 0.00 54.13 53.47 1jhy s LEU 261 Cb -0.16 -2.67 0.13 0.00 0.03 0.00 0.00 46.19 43.51 1jhy s LEU 261 CO 0.04 -0.17 1.11 -0.76 0.23 0.00 0.00 176.35 176.80 1jhy s LEU 262 N 1.61 2.15 0.00 1.79 1.43 0.22 -2.48 118.68 123.39 1jhy s LEU 262 Ca 0.23 1.19 0.00 0.00 -1.03 0.00 0.00 54.13 54.52 1jhy s LEU 262 Cb -0.15 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1jhy s LEU 262 CO 0.09 -2.51 0.00 -0.67 0.23 0.00 0.00 176.35 173.50 1jhy n ASP 263 N -3.76 0.00 0.00 2.29 2.03 -1.26 -3.86 116.55 111.99 1jhy n ASP 263 Ca 0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.37 1jhy n ASP 263 Cb 0.57 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 1jhy n ASP 263 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jhy n GLY 264 N 5.00 3.53 0.24 0.27 0.00 -1.26 -4.17 105.19 108.80 1jhy n GLY 264 Ca 0.00 -1.87 0.02 0.00 0.00 0.00 0.00 46.02 44.17 1jhy n GLY 264 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1jhy h PHE 265 N 0.00 0.03 -0.88 1.61 3.04 -1.94 0.29 116.94 119.09 1jhy h PHE 265 Ca 0.00 0.05 0.01 0.00 3.98 0.00 0.00 57.97 62.00 1jhy h PHE 265 Cb 0.00 0.09 -0.04 0.00 2.56 0.00 0.00 35.95 38.56 1jhy h PHE 265 CO 0.00 -0.15 0.57 -0.07 -2.02 0.00 0.00 178.31 176.64 1jhy h LEU 266 N 0.15 1.02 -0.91 0.59 -0.00 -1.95 -2.20 115.31 112.01 1jhy h LEU 266 Ca 0.35 -0.04 -0.09 0.00 -0.00 0.00 0.00 57.88 58.10 1jhy h LEU 266 Cb 0.57 -0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 40.96 1jhy h LEU 266 CO -0.53 0.75 -0.16 0.77 -0.00 0.00 0.00 178.44 179.27 1jhy h SER 267 N 1.20 0.61 -0.74 -0.43 4.64 -1.43 -2.55 113.55 114.85 1jhy h SER 267 Ca 0.32 -0.19 -0.02 0.00 -0.47 0.00 0.00 61.79 61.44 1jhy h SER 267 Cb -0.12 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 61.77 1jhy h SER 267 CO -0.07 0.79 0.40 1.88 -0.87 0.00 0.00 176.83 178.96 1jhy h TYR 268 N 0.56 1.02 -0.84 4.77 0.99 -0.43 -0.09 116.97 122.95 1jhy h TYR 268 Ca 0.09 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.80 1jhy h TYR 268 Cb 0.60 -0.33 -0.04 0.00 1.00 0.00 0.00 36.73 37.96 1jhy h TYR 268 CO 0.02 0.73 0.54 0.66 -0.00 0.00 0.00 178.16 180.11 1jhy h SER 269 N 1.02 0.99 -0.02 3.88 4.64 -1.05 -0.78 113.55 122.23 1jhy h SER 269 Ca 0.26 -0.04 -0.09 0.00 -0.47 0.00 0.00 61.79 61.45 1jhy h SER 269 Cb 0.05 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.88 1jhy h SER 269 CO -0.04 0.73 -0.23 0.00 -0.87 0.00 0.00 176.83 176.42 1jhy h ALA 270 N 1.30 1.18 -0.34 5.18 0.00 -1.08 -2.67 119.26 122.83 1jhy h ALA 270 Ca 0.31 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1jhy h ALA 270 Cb -0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1jhy h ALA 270 CO -0.06 0.53 -0.34 0.00 0.00 0.00 0.00 179.25 179.37 1jhy h ALA 271 N 1.38 0.77 -0.70 0.00 0.00 -0.17 -0.64 119.26 119.89 1jhy h ALA 271 Ca 0.06 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1jhy h ALA 271 Cb 0.62 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1jhy h ALA 271 CO 0.04 0.65 0.43 -0.07 0.00 0.00 0.00 179.25 180.31 1jhy h LEU 272 N 0.63 0.84 -0.26 0.00 3.38 -0.85 -0.90 115.31 118.15 1jhy h LEU 272 Ca 0.07 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1jhy h LEU 272 Cb 0.87 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1jhy h LEU 272 CO 0.08 0.65 0.04 0.00 0.09 0.00 0.00 178.44 179.30 1jhy h ALA 273 N 1.23 0.35 -0.89 1.53 0.00 -1.29 -0.44 119.26 119.74 1jhy h ALA 273 Ca 0.25 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1jhy h ALA 273 Cb -0.04 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 1jhy h ALA 273 CO -0.05 0.03 0.59 0.00 0.00 0.00 0.00 179.25 179.82 1jhy h ALA 274 N 0.86 1.16 0.00 0.00 0.00 -0.83 0.75 119.26 121.20 1jhy h ALA 274 Ca 0.08 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1jhy h ALA 274 Cb 0.33 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1jhy h ALA 274 CO 0.00 0.49 -0.45 0.00 0.00 0.00 0.00 179.25 179.29 1jhy h GLN 276 N 0.00 0.56 -0.48 0.00 5.75 -0.12 -2.78 115.11 118.03 1jhy h GLN 276 Ca -0.00 -0.32 -0.08 0.00 -0.15 0.00 0.00 58.65 58.10 1jhy h GLN 276 Cb 0.80 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.35 1jhy h GLN 276 CO 0.06 0.92 0.00 0.82 -2.65 0.00 0.00 178.83 177.98 1jhy h ILE 277 N 0.24 1.26 -1.80 2.39 2.04 -0.53 -3.43 117.51 117.68 1jhy h ILE 277 Ca 0.02 -1.06 -0.17 0.00 1.00 0.00 0.00 64.86 64.65 1jhy h ILE 277 Cb 0.85 1.00 -0.29 0.00 -0.74 0.00 0.00 36.82 37.64 1jhy h ILE 277 CO 0.07 0.37 -0.51 0.00 0.00 0.00 0.00 178.15 178.08 1jhy s ALA 278 N -5.02 -1.14 0.48 1.87 0.00 0.12 -5.01 121.76 113.07 1jhy s ALA 278 Ca -0.12 0.55 0.27 0.00 0.00 0.00 0.00 51.96 52.65 1jhy s ALA 278 Cb 0.11 -1.88 1.55 0.00 0.00 0.00 0.00 23.12 22.90 1jhy s ALA 278 CO 0.82 -1.52 2.13 -1.35 0.00 0.00 0.00 175.76 175.85 1jhy h PRO 279 N 8.17 0.00 0.00 0.00 0.11 -1.70 -0.87 132.00 137.71 1jhy h PRO 279 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1jhy h PRO 279 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1jhy h PRO 279 CO 0.27 0.08 0.02 0.00 -0.21 0.00 0.00 178.00 178.16 1jhy h ALA 280 N 1.92 1.01 -0.10 -0.75 0.00 -1.92 -2.00 119.26 117.43 1jhy h ALA 280 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1jhy h ALA 280 Cb 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1jhy h ALA 280 CO 0.01 -0.01 -0.57 0.28 0.00 0.00 0.00 179.25 178.96 1jhy h VAL 281 N 0.00 1.37 -0.76 0.00 2.07 -1.47 -3.37 116.25 114.08 1jhy h VAL 281 Ca 0.00 -1.89 0.15 0.00 0.82 0.00 0.00 66.70 65.78 1jhy h VAL 281 Cb 0.03 1.92 -0.14 0.00 -1.52 0.00 0.00 31.29 31.58 1jhy h VAL 281 CO 0.00 0.56 -0.23 -0.09 0.02 0.00 0.00 177.57 177.84 1jhy h ARG 282 N 0.23 -0.02 0.00 1.57 9.65 -1.55 -1.07 114.38 123.17 1jhy h ARG 282 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1jhy h ARG 282 Cb 1.07 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.66 1jhy h ARG 282 CO 0.09 -0.02 0.00 -2.30 2.80 0.00 0.00 179.97 180.55 1jhy n PRO 283 N -5.50 0.14 0.02 0.20 -0.02 -1.26 -1.77 135.00 126.81 1jhy n PRO 283 Ca 0.10 0.58 0.12 0.00 -2.02 0.00 0.00 63.50 62.27 1jhy n PRO 283 Cb 0.39 -1.90 0.13 0.00 -0.02 0.00 0.00 33.50 32.10 1jhy n PRO 283 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1jhy n TYR 284 N -2.18 0.20 -2.97 6.00 4.01 -0.41 -4.92 117.16 116.89 1jhy n TYR 284 Ca -0.01 0.06 -0.38 0.00 -0.16 0.00 0.00 57.90 57.41 1jhy n TYR 284 Cb 0.07 -0.37 -0.06 0.00 -0.31 0.00 0.00 39.34 38.67 1jhy n TYR 284 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1jhy s LEU 285 N -3.55 4.49 -0.08 7.72 1.43 -0.73 -1.59 118.68 126.37 1jhy s LEU 285 Ca 0.07 1.63 -0.00 0.00 -1.03 0.00 0.00 54.13 54.80 1jhy s LEU 285 Cb 0.16 -3.49 0.02 0.00 0.03 0.00 0.00 46.19 42.91 1jhy s LEU 285 CO 0.75 0.12 -0.04 -0.63 0.23 0.00 0.00 176.35 176.78 1jhy s ILE 286 N -1.32 0.70 0.70 -0.59 1.01 -0.06 -4.93 121.20 116.71 1jhy s ILE 286 Ca 0.40 -0.11 -0.13 0.00 0.00 0.00 0.00 60.65 60.81 1jhy s ILE 286 Cb -0.21 -0.76 0.02 0.00 0.01 0.00 0.00 42.46 41.52 1jhy s ILE 286 CO 0.25 0.30 1.09 -2.16 0.00 0.00 0.00 174.94 174.42 1jhy s PRO 287 N 1.60 2.65 0.00 2.79 0.04 -1.26 -0.61 135.00 140.20 1jhy s PRO 287 Ca 0.01 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.27 1jhy s PRO 287 Cb -0.13 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1jhy s PRO 287 CO -0.05 -1.34 0.00 -1.13 0.04 0.00 0.00 177.00 174.52 1jhy n SER 288 N -2.92 0.00 -4.47 6.66 3.41 -1.25 -4.60 113.62 110.45 1jhy n SER 288 Ca 0.09 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.45 1jhy n SER 288 Cb 0.53 -0.04 -0.10 0.00 -0.26 0.00 0.00 64.21 64.34 1jhy n SER 288 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1jhy s HIS 289 N -0.41 2.03 -0.69 7.33 -3.43 -1.26 -1.91 115.29 116.95 1jhy s HIS 289 Ca 0.00 -0.96 -0.15 0.00 -0.80 0.00 0.00 55.06 53.14 1jhy s HIS 289 Cb 0.00 -1.42 0.17 0.00 -1.43 0.00 0.00 32.58 29.90 1jhy s HIS 289 CO 0.00 0.08 0.66 0.12 -2.00 0.00 0.00 174.74 173.60 1jhy s PHE 290 N -3.08 3.46 0.37 0.38 2.19 0.60 -4.81 117.98 117.10 1jhy s PHE 290 Ca 0.28 -1.59 -0.26 0.00 0.33 0.00 0.00 56.93 55.69 1jhy s PHE 290 Cb 0.06 -3.84 -0.12 0.00 -1.31 0.00 0.00 43.02 37.82 1jhy s PHE 290 CO 0.14 -1.04 1.11 0.45 1.83 0.00 0.00 175.22 177.70 1jhy n SER 291 N 4.79 1.80 0.00 6.13 2.88 -1.26 -4.29 113.62 123.68 1jhy n SER 291 Ca 0.00 1.12 0.12 0.00 -1.33 0.00 0.00 58.87 58.79 1jhy n SER 291 Cb 0.44 -1.39 0.65 0.00 -0.75 0.00 0.00 64.21 63.16 1jhy n SER 291 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jhy n ALA 292 N -0.08 2.29 -1.81 -1.46 0.00 -0.36 -4.74 120.51 114.35 1jhy n ALA 292 Ca 0.08 -0.13 -0.41 0.00 0.00 0.00 0.00 53.44 52.98 1jhy n ALA 292 Cb 0.37 -1.40 -0.02 0.00 0.00 0.00 0.00 19.45 18.40 1jhy n ALA 292 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1jhy s GLU 293 N -2.45 4.20 0.24 0.00 2.56 -1.26 -4.92 118.70 117.07 1jhy s GLU 293 Ca 0.27 2.43 -0.08 0.00 0.00 0.00 0.00 54.97 57.59 1jhy s GLU 293 Cb 0.17 -3.05 0.42 0.00 2.00 0.00 0.00 34.13 33.66 1jhy s GLU 293 CO 0.36 -0.48 1.63 -0.22 -0.56 0.00 0.00 175.26 175.99 1jhy h LYS 294 N 4.43 0.09 0.00 4.30 3.64 -1.87 -1.34 116.57 125.82 1jhy h LYS 294 Ca -0.47 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1jhy h LYS 294 Cb 1.22 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1jhy h LYS 294 CO 0.74 0.06 0.00 0.41 -2.27 0.00 0.00 179.45 178.39 1jhy n GLY 295 N -1.42 -0.98 0.08 5.01 0.00 -1.24 -4.21 105.19 102.42 1jhy n GLY 295 Ca 0.13 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 1jhy n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jhy h ALA 296 N 3.35 0.14 -0.68 4.61 0.00 -1.53 -2.32 119.26 122.83 1jhy h ALA 296 Ca 0.00 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.03 1jhy h ALA 296 Cb 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.72 1jhy h ALA 296 CO 0.00 -0.41 0.29 0.07 0.00 0.00 0.00 179.25 179.21 1jhy h ARG 297 N 0.11 0.47 -0.06 0.00 0.11 -1.81 -0.59 114.38 112.61 1jhy h ARG 297 Ca 0.05 -0.03 -0.00 0.00 0.10 0.00 0.00 59.98 60.10 1jhy h ARG 297 Cb 0.03 -0.11 -0.00 0.00 1.11 0.00 0.00 29.97 31.00 1jhy h ARG 297 CO -0.06 0.31 0.02 0.82 0.10 0.00 0.00 179.97 181.16 1jhy h ILE 298 N 0.49 1.17 -0.66 0.08 2.04 -1.83 -1.54 117.51 117.26 1jhy h ILE 298 Ca 0.35 -0.52 0.04 0.00 1.00 0.00 0.00 64.86 65.73 1jhy h ILE 298 Cb 0.44 1.41 -0.05 0.00 -0.74 0.00 0.00 36.82 37.89 1jhy h ILE 298 CO -0.32 0.15 0.39 0.00 0.00 0.00 0.00 178.15 178.37 1jhy h ALA 299 N 0.82 0.87 -0.39 1.87 0.00 -1.00 -2.35 119.26 119.07 1jhy h ALA 299 Ca 0.02 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1jhy h ALA 299 Cb 0.22 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1jhy h ALA 299 CO -0.00 0.12 -0.04 -0.07 0.00 0.00 0.00 179.25 179.26 1jhy h LEU 300 N 0.76 0.62 -0.63 0.00 3.38 -1.04 -2.26 115.31 116.13 1jhy h LEU 300 Ca 0.28 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1jhy h LEU 300 Cb 0.08 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1jhy h LEU 300 CO -0.13 0.71 0.14 0.00 0.09 0.00 0.00 178.44 179.26 1jhy h ALA 301 N 1.36 0.83 0.00 1.53 0.00 -0.89 0.24 119.26 122.33 1jhy h ALA 301 Ca 0.12 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1jhy h ALA 301 Cb 0.44 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1jhy h ALA 301 CO 0.02 0.55 -0.37 0.45 0.00 0.00 0.00 179.25 179.90 1jhy h HIS 302 N 0.93 0.00 -0.00 0.00 3.86 -1.13 -1.56 115.15 117.24 1jhy h HIS 302 Ca 0.20 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 1jhy h HIS 302 Cb 0.37 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.84 1jhy h HIS 302 CO 0.03 0.37 -0.33 1.28 0.86 0.00 0.00 177.93 180.14 1jhy n LEU 303 N -3.71 0.46 -3.49 2.43 4.77 -0.88 -4.93 117.00 111.65 1jhy n LEU 303 Ca -0.01 0.07 -0.21 0.00 -0.03 0.00 0.00 56.01 55.83 1jhy n LEU 303 Cb 0.46 -0.28 0.08 0.00 -2.33 0.00 0.00 43.42 41.36 1jhy n LEU 303 CO 0.37 0.10 0.19 -1.20 -1.33 0.00 0.00 177.39 175.53 1jhy n SER 304 N -1.34 -4.61 -4.32 -1.43 7.64 0.68 -5.00 113.62 105.25 1jhy n SER 304 Ca 0.08 -0.56 -0.28 0.00 1.01 0.00 0.00 58.87 59.11 1jhy n SER 304 Cb 0.33 -5.02 -0.14 0.00 -1.01 0.00 0.00 64.21 58.37 1jhy n SER 304 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1jhy s MET 305 N -5.91 1.57 -0.27 1.43 1.00 -0.19 -5.03 119.30 111.89 1jhy s MET 305 Ca 0.35 -1.09 0.03 0.00 0.00 0.00 0.00 55.69 54.98 1jhy s MET 305 Cb -0.15 -1.77 0.07 0.00 0.00 0.00 0.00 34.83 32.98 1jhy s MET 305 CO 0.72 0.45 -0.07 -1.83 0.00 0.00 0.00 175.02 174.29 1jhy s GLU 306 N -1.37 1.98 0.77 2.03 1.03 -1.26 -4.61 118.70 117.27 1jhy s GLU 306 Ca 0.10 -1.39 -0.13 0.00 0.03 0.00 0.00 54.97 53.58 1jhy s GLU 306 Cb -0.10 -2.89 0.06 0.00 -0.80 0.00 0.00 34.13 30.40 1jhy s GLU 306 CO 0.03 -0.65 1.14 -2.14 -1.33 0.00 0.00 175.26 172.31 1jhy s PRO 307 N 1.11 2.05 0.05 -4.83 0.02 -1.26 -4.90 135.00 127.25 1jhy s PRO 307 Ca -0.04 1.48 -0.04 0.00 0.02 0.00 0.00 61.00 62.41 1jhy s PRO 307 Cb -0.20 -1.85 -0.29 0.00 0.02 0.00 0.00 34.50 32.19 1jhy s PRO 307 CO -0.06 -1.84 1.06 1.88 -0.33 0.00 0.00 177.00 177.70 1jhy h TYR 308 N -0.80 0.51 -3.28 6.54 0.05 -1.69 -3.46 116.97 114.84 1jhy h TYR 308 Ca -0.45 -0.37 -0.64 0.00 0.05 0.00 0.00 58.73 57.32 1jhy h TYR 308 Cb 1.26 -0.02 -0.17 0.00 1.01 0.00 0.00 36.73 38.81 1jhy h TYR 308 CO 0.52 1.32 -0.61 -0.51 -1.05 0.00 0.00 178.16 177.83 1jhy s LEU 309 N -7.12 3.59 -0.62 3.88 1.43 -0.80 -5.03 118.68 114.00 1jhy s LEU 309 Ca -0.05 0.04 -0.00 0.00 -1.03 0.00 0.00 54.13 53.08 1jhy s LEU 309 Cb 0.07 -1.87 0.16 0.00 0.03 0.00 0.00 46.19 44.57 1jhy s LEU 309 CO 0.88 0.23 0.42 -1.00 0.23 0.00 0.00 176.35 177.11 1jhy s HIS 310 N 0.04 3.38 -0.50 0.29 3.76 -1.26 -0.29 115.29 120.71 1jhy s HIS 310 Ca 0.03 -2.93 0.04 0.00 -0.15 0.00 0.00 55.06 52.06 1jhy s HIS 310 Cb -0.13 -3.06 0.06 0.00 1.11 0.00 0.00 32.58 30.57 1jhy s HIS 310 CO 0.02 -0.78 0.77 -1.33 -0.85 0.00 0.00 174.74 172.56 1jhy n MET 311 N 3.15 0.54 -3.00 1.40 2.81 -1.26 -4.99 117.12 115.78 1jhy n MET 311 Ca 0.09 -1.03 -0.21 0.00 -1.81 0.00 0.00 57.70 54.74 1jhy n MET 311 Cb 0.36 -1.09 0.01 0.00 -0.71 0.00 0.00 33.22 31.79 1jhy n MET 311 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1jhy n ALA 312 N 0.15 -0.95 -1.97 3.04 0.00 -1.26 -4.95 120.51 114.58 1jhy n ALA 312 Ca 0.03 0.18 -0.32 0.00 0.00 0.00 0.00 53.44 53.33 1jhy n ALA 312 Cb 0.17 -3.05 -0.06 0.00 0.00 0.00 0.00 19.45 16.52 1jhy n ALA 312 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1jhy s MET 313 N -5.66 4.06 -0.20 0.00 1.00 -1.26 -4.57 119.30 112.68 1jhy s MET 313 Ca 0.27 0.88 0.08 0.00 0.00 0.00 0.00 55.69 56.91 1jhy s MET 313 Cb -0.13 -2.28 0.24 0.00 0.00 0.00 0.00 34.83 32.66 1jhy s MET 313 CO 0.33 -0.00 1.32 2.89 0.00 0.00 0.00 175.02 179.55 1jhy n ARG 314 N -0.76 0.80 0.00 2.03 1.85 -1.26 -1.23 116.66 118.09 1jhy n ARG 314 Ca 0.05 -1.13 -0.22 0.00 -1.00 0.00 0.00 57.85 55.56 1jhy n ARG 314 Cb 0.54 0.45 -0.14 0.00 -1.05 0.00 0.00 32.46 32.26 1jhy n ARG 314 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 1jhy h LEU 315 N 0.59 0.38 0.00 2.89 5.85 -1.97 -3.46 115.31 119.58 1jhy h LEU 315 Ca -0.50 -0.85 0.00 0.00 0.84 0.00 0.00 57.88 57.37 1jhy h LEU 315 Cb 1.35 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1jhy h LEU 315 CO -0.23 1.67 0.00 0.61 -0.34 0.00 0.00 178.44 180.15 1jhy n GLY 316 N 1.78 -0.44 3.73 3.75 0.00 -1.26 -4.97 105.19 107.77 1jhy n GLY 316 Ca -0.27 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.18 1jhy n GLY 316 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jhy n GLU 317 N 0.00 0.00 -0.35 1.61 1.02 -0.88 -1.82 120.64 120.22 1jhy n GLU 317 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1jhy n GLU 317 Cb 0.00 -3.28 0.00 0.00 -0.02 0.00 0.00 31.44 28.14 1jhy n GLU 317 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jhy n GLY 318 N -2.00 0.80 0.32 0.62 0.00 -1.26 -4.35 105.19 99.33 1jhy n GLY 318 Ca 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 46.02 45.81 1jhy n GLY 318 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jhy h SER 319 N 0.00 0.87 -0.25 1.61 4.64 -1.69 -2.37 113.55 116.37 1jhy h SER 319 Ca 0.00 -0.12 -0.15 0.00 -0.47 0.00 0.00 61.79 61.05 1jhy h SER 319 Cb 0.00 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 61.86 1jhy h SER 319 CO 0.00 0.79 -0.39 1.23 -0.87 0.00 0.00 176.83 177.59 1jhy h GLY 320 N 1.03 0.86 0.88 -0.77 0.00 -1.92 -2.22 103.07 100.94 1jhy h GLY 320 Ca 0.22 -0.87 0.02 0.00 0.00 0.00 0.00 47.33 46.70 1jhy h GLY 320 CO -0.02 0.78 0.15 0.00 0.00 0.00 0.00 176.54 177.45 1jhy h ALA 321 N 0.91 0.35 -0.79 3.60 0.00 -1.61 -2.00 119.26 119.72 1jhy h ALA 321 Ca 0.06 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1jhy h ALA 321 Cb 0.94 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1jhy h ALA 321 CO 0.09 -0.24 0.45 0.00 0.00 0.00 0.00 179.25 179.56 1jhy h ALA 322 N 1.14 1.02 0.00 0.00 0.00 -1.35 -1.81 119.26 118.26 1jhy h ALA 322 Ca 0.12 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1jhy h ALA 322 Cb 0.03 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1jhy h ALA 322 CO -0.08 0.51 -0.15 1.25 0.00 0.00 0.00 179.25 180.78 1jhy h LEU 323 N 1.10 0.00 0.00 0.00 5.85 -1.10 -2.59 115.31 118.56 1jhy h LEU 323 Ca 0.28 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.00 1jhy h LEU 323 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1jhy h LEU 323 CO -0.05 0.15 -0.45 0.00 -0.34 0.00 0.00 178.44 177.74 1jhy n ALA 324 N -2.41 3.29 -0.34 1.25 0.00 -0.71 -4.26 120.51 117.33 1jhy n ALA 324 Ca -0.02 -0.30 0.04 0.00 0.00 0.00 0.00 53.44 53.16 1jhy n ALA 324 Cb 0.23 -1.17 0.20 0.00 0.00 0.00 0.00 19.45 18.70 1jhy n ALA 324 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1jhy h MET 325 N 0.00 0.93 0.00 0.00 2.86 -1.11 -0.12 114.93 117.48 1jhy h MET 325 Ca 0.00 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1jhy h MET 325 Cb 0.54 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 1jhy h MET 325 CO 0.00 0.61 -0.02 -1.35 1.06 0.00 0.00 176.91 177.22 1jhy h PRO 326 N 0.96 0.00 -0.42 -0.22 0.11 -1.77 -0.84 132.00 129.81 1jhy h PRO 326 Ca 0.44 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.50 1jhy h PRO 326 Cb 0.37 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.47 1jhy h PRO 326 CO -0.24 0.02 0.04 0.82 -0.21 0.00 0.00 178.00 178.42 1jhy h ILE 327 N 0.00 1.25 -0.47 4.15 2.04 -1.29 0.13 117.51 123.33 1jhy h ILE 327 Ca -0.00 -0.95 -0.00 0.00 1.00 0.00 0.00 64.86 64.90 1jhy h ILE 327 Cb 0.03 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1jhy h ILE 327 CO 0.00 0.33 0.28 0.58 0.00 0.00 0.00 178.15 179.34 1jhy h VAL 328 N 0.57 1.15 -0.04 1.67 2.07 -0.97 -1.83 116.25 118.87 1jhy h VAL 328 Ca 0.12 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 1jhy h VAL 328 Cb 0.43 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1jhy h VAL 328 CO 0.01 0.15 -0.17 -0.33 0.02 0.00 0.00 177.57 177.26 1jhy h GLU 329 N 0.62 0.06 -0.71 1.57 5.08 -1.01 -2.46 114.58 117.74 1jhy h GLU 329 Ca 0.17 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.44 1jhy h GLU 329 Cb 0.00 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1jhy h GLU 329 CO -0.03 0.24 0.17 0.00 -1.00 0.00 0.00 179.01 178.39 1jhy h ALA 330 N 1.77 0.93 -0.30 3.43 0.00 0.06 -0.93 119.26 124.23 1jhy h ALA 330 Ca 0.01 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1jhy h ALA 330 Cb 0.34 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1jhy h ALA 330 CO 0.02 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.93 1jhy h ALA 331 N 1.09 1.45 -0.25 0.00 0.00 -0.95 -0.34 119.26 120.25 1jhy h ALA 331 Ca 0.22 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.78 1jhy h ALA 331 Cb 0.37 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1jhy h ALA 331 CO 0.00 0.39 -0.53 0.00 0.00 0.00 0.00 179.25 179.11 1jhy h ALA 333 N 0.64 0.68 0.14 0.00 0.00 -0.84 -0.29 119.26 119.60 1jhy h ALA 333 Ca 0.00 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1jhy h ALA 333 Cb 1.14 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1jhy h ALA 333 CO 0.12 0.39 -0.25 1.98 0.00 0.00 0.00 179.25 181.49 1jhy h MET 334 N 0.72 -0.45 -0.60 0.00 1.85 -1.07 0.33 114.93 115.71 1jhy h MET 334 Ca 0.16 0.03 0.06 0.00 -0.61 0.00 0.00 59.70 59.34 1jhy h MET 334 Cb 0.37 0.10 -0.05 0.00 0.43 0.00 0.00 31.60 32.45 1jhy h MET 334 CO 0.01 -0.30 0.30 0.35 -0.40 0.00 0.00 176.91 176.87 1jhy h PHE 335 N -0.47 0.56 0.02 1.39 3.57 -1.21 -2.58 116.94 118.22 1jhy h PHE 335 Ca 0.02 0.02 -0.32 0.00 3.53 0.00 0.00 57.97 61.23 1jhy h PHE 335 Cb 0.48 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 39.01 1jhy h PHE 335 CO -0.21 0.25 -1.89 0.72 -2.23 0.00 0.00 178.31 174.94 1jhy n HIS 336 N -4.86 0.82 0.70 0.41 8.25 -0.14 -4.57 115.22 115.84 1jhy n HIS 336 Ca 0.07 0.27 0.10 0.00 -0.26 0.00 0.00 57.72 57.91 1jhy n HIS 336 Cb 0.18 -1.14 -0.13 0.00 1.12 0.00 0.00 29.99 30.01 1jhy n HIS 336 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1jhy n ASN 337 N -3.06 0.71 -4.79 0.41 5.03 0.11 -4.97 115.26 108.70 1jhy n ASN 337 Ca -0.23 -0.70 -0.34 0.00 0.87 0.00 0.00 54.58 54.18 1jhy n ASN 337 Cb 1.07 1.29 -0.02 0.00 -1.02 0.00 0.00 39.78 41.10 1jhy n ASN 337 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 1jhy s MET 338 N -3.14 3.66 1.06 3.52 -1.94 -0.97 -5.04 119.30 116.44 1jhy s MET 338 Ca 0.03 1.39 -0.17 0.00 -1.71 0.00 0.00 55.69 55.23 1jhy s MET 338 Cb 0.15 -2.07 0.23 0.00 2.01 0.00 0.00 34.83 35.15 1jhy s MET 338 CO 0.88 -0.55 1.20 0.20 -0.01 0.00 0.00 175.02 176.73 1jhy s GLY 339 N -2.04 1.66 -0.01 -0.03 0.00 -1.26 -4.88 107.32 100.75 1jhy s GLY 339 Ca 0.68 -0.97 0.05 0.00 0.00 0.00 0.00 44.72 44.48 1jhy s GLY 339 CO 0.23 -0.19 -0.16 -0.54 0.00 0.00 0.00 173.10 172.45 1jhy s GLU 340 N -5.57 2.33 0.16 2.90 2.02 -1.26 -1.25 118.70 118.04 1jhy s GLU 340 Ca 0.71 -0.81 -0.19 0.00 0.02 0.00 0.00 54.97 54.70 1jhy s GLU 340 Cb -0.08 -2.30 0.08 0.00 0.10 0.00 0.00 34.13 31.93 1jhy s GLU 340 CO 0.54 0.59 1.65 -0.07 0.02 0.00 0.00 175.26 177.99 1jhy h LEU 341 N 4.98 -0.55 -0.92 1.80 3.38 -1.21 -2.14 115.31 120.65 1jhy h LEU 341 Ca -0.47 0.13 0.14 0.00 0.09 0.00 0.00 57.88 57.77 1jhy h LEU 341 Cb 1.15 0.31 -0.09 0.00 0.09 0.00 0.00 40.66 42.12 1jhy h LEU 341 CO 0.49 -0.20 0.54 0.00 0.09 0.00 0.00 178.44 179.36 1jhy h ALA 342 N 1.18 1.41 0.00 1.53 0.00 -1.79 -0.29 119.26 121.30 1jhy h ALA 342 Ca 0.18 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1jhy h ALA 342 Cb 0.37 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1jhy h ALA 342 CO -0.43 0.05 -0.11 0.00 0.00 0.00 0.00 179.25 178.76 1jhy h ALA 343 N 1.55 1.32 -0.17 0.00 0.00 -1.77 -1.50 119.26 118.69 1jhy h ALA 343 Ca 0.49 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1jhy h ALA 343 Cb 0.60 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1jhy h ALA 343 CO -0.32 0.14 0.00 0.43 0.00 0.00 0.00 179.25 179.50 1jhy n SER 344 N -3.68 3.02 -1.98 0.00 7.64 -0.21 -4.93 113.62 113.47 1jhy n SER 344 Ca -0.02 -1.95 -0.16 0.00 1.01 0.00 0.00 58.87 57.75 1jhy n SER 344 Cb 0.22 -0.10 0.01 0.00 -1.01 0.00 0.00 64.21 63.33 1jhy n SER 344 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1jhy n ASN 345 N 1.28 -4.73 -4.66 6.43 4.13 -0.57 -4.98 115.26 112.16 1jhy n ASN 345 Ca 0.17 -0.11 -0.38 0.00 1.68 0.00 0.00 54.58 55.93 1jhy n ASN 345 Cb 0.58 -3.73 -0.07 0.00 -1.54 0.00 0.00 39.78 35.01 1jhy n ASN 345 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1jhy s ILE 346 N -2.88 5.18 -0.18 2.41 1.01 -0.63 -5.02 121.20 121.10 1jhy s ILE 346 Ca 0.11 0.76 0.00 0.00 0.00 0.00 0.00 60.65 61.51 1jhy s ILE 346 Cb -0.05 -3.75 0.01 0.00 0.01 0.00 0.00 42.46 38.68 1jhy s ILE 346 CO 0.13 0.23 -0.16 -0.69 0.00 0.00 0.00 174.94 174.45 1jhy s VAL 347 N 1.43 2.44 -0.08 2.92 1.01 -1.26 -4.38 120.40 122.48 1jhy s VAL 347 Ca 0.20 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.37 1jhy s VAL 347 Cb -0.15 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 1jhy s VAL 347 CO 0.08 0.51 -0.10 -0.76 0.00 0.00 0.00 175.10 174.84 1jhy s LEU 348 N 1.15 2.96 0.00 3.92 1.43 -1.26 -5.22 118.68 121.66 1jhy s LEU 348 Ca 0.01 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1jhy s LEU 348 Cb -0.14 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.44 1jhy s LEU 348 CO -0.07 0.31 0.17 -2.65 0.23 0.00 0.00 176.35 174.34