#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jhx h HIS 5 N 0.00 0.00 0.39 1.96 -0.00 -2.03 -2.54 115.15 112.92 1jhx h HIS 5 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 1jhx h HIS 5 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.40 1jhx h HIS 5 CO 0.00 0.72 -0.24 0.00 -0.00 0.00 0.00 177.93 178.41 1jhx h ALA 6 N 1.28 -0.60 -0.47 2.45 0.00 -2.04 0.69 119.26 120.57 1jhx h ALA 6 Ca -0.01 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.86 1jhx h ALA 6 Cb 1.29 0.30 -0.10 0.00 0.00 0.00 0.00 17.79 19.29 1jhx h ALA 6 CO 0.09 -0.85 -0.44 1.25 0.00 0.00 0.00 179.25 179.31 1jhx h LEU 7 N -0.61 -1.47 -1.52 0.00 5.85 -1.95 0.12 115.31 115.74 1jhx h LEU 7 Ca -0.04 0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 1jhx h LEU 7 Cb 0.50 0.65 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 1jhx h LEU 7 CO 0.04 -0.36 -0.07 -0.07 -0.34 0.00 0.00 178.44 177.63 1jhx h LEU 8 N -0.29 0.20 -0.32 2.25 3.38 -1.26 -2.62 115.31 116.65 1jhx h LEU 8 Ca 0.15 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 1jhx h LEU 8 Cb 0.58 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1jhx h LEU 8 CO -0.61 0.31 0.01 -0.09 0.09 0.00 0.00 178.44 178.15 1jhx h ARG 9 N 0.21 0.55 0.00 1.13 2.43 0.11 -3.21 114.38 115.61 1jhx h ARG 9 Ca 0.05 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1jhx h ARG 9 Cb 0.27 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1jhx h ARG 9 CO 0.01 0.68 0.00 -0.25 -1.51 0.00 0.00 179.97 178.90 1jhx n ASP 10 N -4.56 0.00 -4.68 -3.80 10.43 0.23 -4.87 116.55 109.30 1jhx n ASP 10 Ca -0.02 -1.77 -0.42 0.00 2.57 0.00 0.00 54.79 55.15 1jhx n ASP 10 Cb 0.26 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 43.19 1jhx n ASP 10 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1jhx s ILE 11 N -2.00 3.36 0.43 0.53 1.01 -1.20 -4.90 121.20 118.43 1jhx s ILE 11 Ca 0.08 0.73 -0.22 0.00 0.00 0.00 0.00 60.65 61.24 1jhx s ILE 11 Cb 0.04 -3.47 -0.09 0.00 0.01 0.00 0.00 42.46 38.94 1jhx s ILE 11 CO 0.06 -0.01 1.02 -2.16 0.00 0.00 0.00 174.94 173.84 1jhx s PRO 12 N 2.77 4.07 0.51 2.79 0.04 -1.26 -5.04 135.00 138.88 1jhx s PRO 12 Ca 0.70 1.36 -0.13 0.00 0.04 0.00 0.00 61.00 62.97 1jhx s PRO 12 Cb -0.36 -2.31 -0.06 0.00 0.04 0.00 0.00 34.50 31.81 1jhx s PRO 12 CO 0.30 -0.20 0.92 0.00 0.04 0.00 0.00 177.00 178.06 1jhx s ALA 13 N -1.89 3.17 0.56 8.56 0.00 -1.26 -4.99 121.76 125.92 1jhx s ALA 13 Ca 0.62 -0.03 -0.19 0.00 0.00 0.00 0.00 51.96 52.35 1jhx s ALA 13 Cb -0.17 -2.96 -0.05 0.00 0.00 0.00 0.00 23.12 19.94 1jhx s ALA 13 CO 0.21 -0.28 1.16 -2.14 0.00 0.00 0.00 175.76 174.72 1jhx s PRO 14 N -4.30 3.22 -0.82 0.00 0.02 -1.26 -4.79 135.00 127.07 1jhx s PRO 14 Ca 0.55 1.71 -0.24 0.00 0.02 0.00 0.00 61.00 63.04 1jhx s PRO 14 Cb -0.10 -1.99 0.05 0.00 0.02 0.00 0.00 34.50 32.48 1jhx s PRO 14 CO 0.37 -0.98 1.25 0.34 -0.33 0.00 0.00 177.00 177.65 1jhx s ASP 15 N -1.68 6.30 0.44 2.53 3.68 0.11 -4.88 116.67 123.18 1jhx s ASP 15 Ca 0.74 -0.97 0.14 0.00 2.13 0.00 0.00 52.55 54.60 1jhx s ASP 15 Cb -0.27 -2.52 0.99 0.00 -1.45 0.00 0.00 42.92 39.67 1jhx s ASP 15 CO 0.30 -1.61 1.99 0.00 0.13 0.00 0.00 175.17 175.98 1jhx h ALA 16 N 9.77 1.70 -0.31 3.66 0.00 -1.92 -2.13 119.26 130.03 1jhx h ALA 16 Ca -0.11 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 1jhx h ALA 16 Cb 1.04 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1jhx h ALA 16 CO 1.29 0.23 -0.06 1.49 0.00 0.00 0.00 179.25 182.20 1jhx h GLU 17 N 0.02 0.58 -0.63 0.00 4.22 -1.98 -1.39 114.58 115.40 1jhx h GLU 17 Ca 0.00 -0.21 -0.05 0.00 0.08 0.00 0.00 59.36 59.18 1jhx h GLU 17 Cb 0.31 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1jhx h GLU 17 CO 0.02 0.76 0.19 0.00 -2.18 0.00 0.00 179.01 177.81 1jhx h ALA 18 N 0.80 1.15 -0.57 2.92 0.00 -1.79 -2.33 119.26 119.44 1jhx h ALA 18 Ca 0.08 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1jhx h ALA 18 Cb 0.53 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1jhx h ALA 18 CO 0.03 0.59 0.05 0.52 0.00 0.00 0.00 179.25 180.44 1jhx h MET 19 N 0.93 0.95 -0.47 0.00 2.86 -1.22 -0.86 114.93 117.12 1jhx h MET 19 Ca 0.21 -0.25 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 1jhx h MET 19 Cb 0.27 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 1jhx h MET 19 CO -0.01 0.90 0.05 0.00 1.06 0.00 0.00 176.91 178.92 1jhx h ALA 20 N 1.16 0.63 -0.61 6.32 0.00 -0.98 -0.95 119.26 124.84 1jhx h ALA 20 Ca 0.17 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1jhx h ALA 20 Cb 0.45 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1jhx h ALA 20 CO 0.02 0.38 0.22 0.00 0.00 0.00 0.00 179.25 179.87 1jhx h ARG 21 N 0.66 0.89 -0.35 0.00 3.08 -1.17 -2.06 114.38 115.43 1jhx h ARG 21 Ca 0.14 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1jhx h ARG 21 Cb 0.42 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1jhx h ARG 21 CO 0.01 0.75 0.08 1.15 -1.07 0.00 0.00 179.97 180.89 1jhx h THR 22 N 0.88 1.22 -0.12 2.04 2.02 -0.75 -2.18 112.91 116.02 1jhx h THR 22 Ca 0.20 -0.76 0.01 0.00 0.77 0.00 0.00 66.41 66.64 1jhx h THR 22 Cb 0.20 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1jhx h THR 22 CO -0.02 0.26 0.04 -0.61 0.37 0.00 0.00 175.52 175.56 1jhx h GLN 23 N 0.41 0.09 -0.88 6.66 5.75 -0.90 -0.92 115.11 125.33 1jhx h GLN 23 Ca 0.11 -0.01 0.06 0.00 -0.15 0.00 0.00 58.65 58.66 1jhx h GLN 23 Cb 0.30 -0.02 -0.06 0.00 1.07 0.00 0.00 27.48 28.77 1jhx h GLN 23 CO 0.00 0.06 0.56 1.96 -2.65 0.00 0.00 178.83 178.76 1jhx h GLN 24 N 0.09 0.99 -0.51 1.69 7.50 -1.31 0.20 115.11 123.76 1jhx h GLN 24 Ca 0.05 -0.06 -0.06 0.00 0.50 0.00 0.00 58.65 59.08 1jhx h GLN 24 Cb 0.03 -0.22 -0.02 0.00 0.05 0.00 0.00 27.48 27.32 1jhx h GLN 24 CO -0.06 0.66 0.10 1.25 -1.50 0.00 0.00 178.83 179.28 1jhx h HIS 25 N 1.02 0.89 -0.68 2.96 -0.00 -0.86 -2.81 115.15 115.67 1jhx h HIS 25 Ca 0.38 -0.12 -0.03 0.00 -0.00 0.00 0.00 60.37 60.60 1jhx h HIS 25 Cb 0.14 -0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 27.28 1jhx h HIS 25 CO -0.03 0.80 0.29 0.82 -0.00 0.00 0.00 177.93 179.81 1jhx h ILE 26 N 0.72 1.24 0.00 6.26 2.04 -0.72 -2.37 117.51 124.69 1jhx h ILE 26 Ca 0.16 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 1jhx h ILE 26 Cb 0.37 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1jhx h ILE 26 CO 0.01 0.29 -0.05 0.44 0.00 0.00 0.00 178.15 178.83 1jhx h ASP 27 N 0.95 0.00 -0.07 1.72 3.45 -0.73 -2.11 116.42 119.63 1jhx h ASP 27 Ca 0.23 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.69 1jhx h ASP 27 Cb 0.18 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.95 1jhx h ASP 27 CO -0.02 0.05 0.00 0.61 -1.57 0.00 0.00 179.24 178.31 1jhx n GLY 28 N -1.28 -0.13 3.79 2.75 0.00 -0.90 -4.74 105.19 104.68 1jhx n GLY 28 Ca -0.03 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 1jhx n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jhx s LEU 29 N -1.80 2.67 -0.30 0.99 1.43 -0.80 -1.79 118.68 119.08 1jhx s LEU 29 Ca 0.36 1.42 -0.26 0.00 -1.03 0.00 0.00 54.13 54.62 1jhx s LEU 29 Cb 0.19 -4.06 -0.28 0.00 0.03 0.00 0.00 46.19 42.07 1jhx s LEU 29 CO 0.30 -1.98 1.71 -0.11 0.23 0.00 0.00 176.35 176.50 1jhx n LEU 30 N -3.45 2.18 -3.61 1.79 7.94 0.02 -4.20 117.00 117.67 1jhx n LEU 30 Ca 0.07 -2.02 -0.02 0.00 -1.11 0.00 0.00 56.01 52.93 1jhx n LEU 30 Cb 0.55 -0.74 -0.01 0.00 0.53 0.00 0.00 43.42 43.75 1jhx n LEU 30 CO 0.56 -1.32 0.99 -1.59 -1.11 0.00 0.00 177.39 174.91 1jhx s LYS 31 N 6.13 0.44 0.19 1.96 -2.85 -1.26 -4.99 119.74 119.36 1jhx s LYS 31 Ca 0.62 -0.21 -0.30 0.00 -1.00 0.00 0.00 55.97 55.08 1jhx s LYS 31 Cb 0.14 0.17 -0.09 0.00 -2.06 0.00 0.00 37.83 36.00 1jhx s LYS 31 CO 0.25 -0.20 1.31 -2.14 0.10 0.00 0.00 175.35 174.67 1jhx s PRO 32 N -2.53 4.38 0.19 1.78 0.02 -1.26 -4.90 135.00 132.69 1jhx s PRO 32 Ca 0.11 2.06 -0.33 0.00 0.02 0.00 0.00 61.00 62.86 1jhx s PRO 32 Cb 0.01 -3.20 -0.14 0.00 0.02 0.00 0.00 34.50 31.19 1jhx s PRO 32 CO -0.04 -0.26 1.35 -2.30 -0.33 0.00 0.00 177.00 175.41 1jhx n PRO 33 N 2.70 1.70 -0.69 5.54 -0.02 -1.26 -1.16 135.00 141.80 1jhx n PRO 33 Ca 0.06 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1jhx n PRO 33 Cb 0.43 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1jhx n PRO 33 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jhx n GLY 34 N 2.31 0.99 0.32 -1.23 0.00 -1.26 -4.90 105.19 101.43 1jhx n GLY 34 Ca 0.14 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.37 1jhx n GLY 34 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jhx h SER 35 N 0.00 0.00 -0.59 1.61 4.64 -1.51 -2.00 113.55 115.69 1jhx h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jhx h SER 35 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1jhx h SER 35 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1jhx n LEU 36 N -3.06 3.42 0.00 5.97 4.32 -1.26 -5.00 117.00 121.39 1jhx n LEU 36 Ca -0.02 -1.71 0.00 0.00 -0.02 0.00 0.00 56.01 54.25 1jhx n LEU 36 Cb 0.12 -0.43 0.00 0.00 -1.62 0.00 0.00 43.42 41.49 1jhx n LEU 36 CO 0.21 0.78 0.00 0.61 -1.22 0.00 0.00 177.39 177.78 1jhx n GLY 37 N 1.36 1.82 0.30 -0.72 0.00 -0.76 -1.54 105.19 105.66 1jhx n GLY 37 Ca 0.21 0.40 0.17 0.00 0.00 0.00 0.00 46.02 46.79 1jhx n GLY 37 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1jhx h ARG 38 N 0.00 0.00 -0.23 1.61 3.08 -1.94 -0.56 114.38 116.33 1jhx h ARG 38 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 1jhx h ARG 38 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1jhx h ARG 38 CO 0.00 0.02 -0.21 1.25 -1.07 0.00 0.00 179.97 179.97 1jhx h LEU 39 N 0.00 0.41 -0.05 3.04 5.85 -1.71 0.08 115.31 122.94 1jhx h LEU 39 Ca -0.00 -0.12 -0.19 0.00 0.84 0.00 0.00 57.88 58.41 1jhx h LEU 39 Cb 0.08 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.01 1jhx h LEU 39 CO 0.00 0.63 -0.70 -0.33 -0.34 0.00 0.00 178.44 177.70 1jhx h GLU 40 N 0.38 0.56 -0.26 1.25 5.08 -1.13 -2.70 114.58 117.76 1jhx h GLU 40 Ca 0.06 -0.54 -0.10 0.00 -1.00 0.00 0.00 59.36 57.78 1jhx h GLU 40 Cb 0.58 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1jhx h GLU 40 CO 0.04 1.16 -0.27 1.79 -1.00 0.00 0.00 179.01 180.73 1jhx h THR 41 N 0.15 1.27 -0.29 1.13 1.35 -1.39 -1.72 112.91 113.40 1jhx h THR 41 Ca -0.08 -1.31 -0.02 0.00 -0.55 0.00 0.00 66.41 64.45 1jhx h THR 41 Cb 1.37 1.37 -0.01 0.00 -1.73 0.00 0.00 68.15 69.15 1jhx h THR 41 CO 0.14 0.42 0.09 0.25 -0.25 0.00 0.00 175.52 176.17 1jhx h LEU 42 N 0.44 0.43 -1.03 3.87 5.85 -1.00 -0.10 115.31 123.76 1jhx h LEU 42 Ca 0.06 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.62 1jhx h LEU 42 Cb 0.70 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.56 1jhx h LEU 42 CO 0.05 0.51 0.65 0.00 -0.34 0.00 0.00 178.44 179.31 1jhx h ALA 43 N 0.93 1.37 -0.22 1.25 0.00 -1.17 -0.15 119.26 121.28 1jhx h ALA 43 Ca 0.10 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1jhx h ALA 43 Cb 0.24 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1jhx h ALA 43 CO -0.00 0.53 -0.39 0.28 0.00 0.00 0.00 179.25 179.66 1jhx h VAL 44 N 1.24 1.30 -0.40 0.00 2.07 -1.00 -2.01 116.25 117.45 1jhx h VAL 44 Ca 0.40 -1.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.36 1jhx h VAL 44 Cb 0.03 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1jhx h VAL 44 CO -0.13 0.48 0.16 -0.61 0.02 0.00 0.00 177.57 177.49 1jhx h GLN 45 N 0.41 0.60 -0.61 1.57 4.15 0.34 -2.70 115.11 118.87 1jhx h GLN 45 Ca 0.04 -0.11 -0.05 0.00 0.77 0.00 0.00 58.65 59.30 1jhx h GLN 45 Cb 0.87 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.43 1jhx h GLN 45 CO 0.07 0.56 0.17 -0.07 -1.93 0.00 0.00 178.83 177.64 1jhx h LEU 46 N 0.50 0.87 -1.96 -2.39 3.38 -0.90 -2.61 115.31 112.21 1jhx h LEU 46 Ca 0.13 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.00 1jhx h LEU 46 Cb 0.19 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1jhx h LEU 46 CO -0.01 0.83 0.14 0.00 0.09 0.00 0.00 178.44 179.49 1jhx h ALA 47 N 1.28 2.12 -0.00 1.53 0.00 -1.05 -1.27 119.26 121.87 1jhx h ALA 47 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1jhx h ALA 47 Cb 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1jhx h ALA 47 CO -0.01 -0.17 -0.05 0.41 0.00 0.00 0.00 179.25 179.44 1jhx n GLY 48 N -1.56 -1.43 3.61 0.00 0.00 -0.98 -4.28 105.19 100.54 1jhx n GLY 48 Ca 0.02 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 1jhx n GLY 48 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jhx s MET 49 N -2.92 3.80 0.37 1.61 1.00 -0.48 0.09 119.30 122.77 1jhx s MET 49 Ca 0.16 0.66 0.15 0.00 0.00 0.00 0.00 55.69 56.67 1jhx s MET 49 Cb 0.19 -3.86 1.03 0.00 0.00 0.00 0.00 34.83 32.19 1jhx s MET 49 CO 0.53 -1.22 1.74 -1.35 0.00 0.00 0.00 175.02 174.72 1jhx h PRO 50 N 8.88 0.44 0.00 2.03 0.11 -1.86 0.18 132.00 141.78 1jhx h PRO 50 Ca -0.22 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1jhx h PRO 50 Cb 1.06 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1jhx h PRO 50 CO 1.09 0.29 0.00 0.41 -0.21 0.00 0.00 178.00 179.58 1jhx n GLY 51 N -1.40 -0.77 0.91 -0.55 0.00 -0.46 -2.51 105.19 100.40 1jhx n GLY 51 Ca 0.27 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.33 1jhx n GLY 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jhx n LEU 52 N -1.24 2.82 -2.86 0.99 4.77 0.05 -4.97 117.00 116.56 1jhx n LEU 52 Ca 0.09 -1.02 -0.19 0.00 -0.03 0.00 0.00 56.01 54.85 1jhx n LEU 52 Cb 0.12 -0.06 0.05 0.00 -2.33 0.00 0.00 43.42 41.20 1jhx n LEU 52 CO 0.12 0.51 0.14 0.59 -1.33 0.00 0.00 177.39 177.42 1jhx n ASN 53 N 1.16 -5.50 -0.17 -1.43 3.02 -1.05 -3.41 115.26 107.88 1jhx n ASN 53 Ca 0.16 -0.37 -0.02 0.00 -0.03 0.00 0.00 54.58 54.31 1jhx n ASN 53 Cb 0.55 -4.18 -0.01 0.00 -0.61 0.00 0.00 39.78 35.53 1jhx n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jhx n GLY 54 N -1.63 0.48 3.26 7.41 0.00 -1.26 -4.99 105.19 108.46 1jhx n GLY 54 Ca -0.02 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 1jhx n GLY 54 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1jhx s THR 55 N -1.75 0.09 -0.20 2.61 -1.32 -1.22 -4.91 115.64 108.95 1jhx s THR 55 Ca 0.00 -0.77 -0.29 0.00 -1.21 0.00 0.00 61.69 59.42 1jhx s THR 55 Cb 0.00 -1.11 -0.01 0.00 -1.51 0.00 0.00 72.50 69.87 1jhx s THR 55 CO 0.00 -0.43 1.26 -2.16 -2.21 0.00 0.00 174.62 171.09 1jhx s PRO 56 N -3.27 4.16 0.05 7.08 0.04 -1.26 -4.51 135.00 137.29 1jhx s PRO 56 Ca -0.00 1.55 -0.18 0.00 0.04 0.00 0.00 61.00 62.42 1jhx s PRO 56 Cb 0.01 -3.79 0.04 0.00 0.04 0.00 0.00 34.50 30.80 1jhx s PRO 56 CO -0.08 -0.80 0.41 1.14 0.04 0.00 0.00 177.00 177.71 1jhx s GLN 57 N 3.64 0.92 -0.08 4.56 -2.07 -1.26 -4.77 119.66 120.60 1jhx s GLN 57 Ca 0.55 -0.39 -0.01 0.00 -1.82 0.00 0.00 55.36 53.68 1jhx s GLN 57 Cb -0.20 0.41 0.03 0.00 -1.09 0.00 0.00 33.01 32.16 1jhx s GLN 57 CO 0.16 -0.32 -0.02 0.08 -1.32 0.00 0.00 175.29 173.87 1jhx s VAL 58 N -2.57 0.58 0.00 3.63 1.01 -1.26 -4.97 120.40 116.83 1jhx s VAL 58 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.92 1jhx s VAL 58 Cb -0.01 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.68 1jhx s VAL 58 CO -0.03 0.29 0.00 0.61 0.00 0.00 0.00 175.10 175.97 1jhx n GLY 59 N 5.03 0.37 3.88 4.51 0.00 -1.26 -5.04 105.19 112.68 1jhx n GLY 59 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 1jhx n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jhx s GLU 60 N 1.97 3.71 0.03 1.61 0.41 -0.78 -4.83 118.70 120.83 1jhx s GLU 60 Ca 0.00 0.36 0.08 0.00 -0.41 0.00 0.00 54.97 55.00 1jhx s GLU 60 Cb 0.00 -2.41 -0.02 0.00 -1.78 0.00 0.00 34.13 29.91 1jhx s GLU 60 CO 0.00 -0.05 -0.22 0.15 -0.49 0.00 0.00 175.26 174.65 1jhx s LYS 61 N -4.01 1.60 0.00 1.61 3.01 -1.26 -0.45 119.74 120.24 1jhx s LYS 61 Ca 0.50 -0.94 -0.03 0.00 -1.01 0.00 0.00 55.97 54.49 1jhx s LYS 61 Cb -0.10 -1.68 -0.01 0.00 -1.01 0.00 0.00 37.83 35.03 1jhx s LYS 61 CO 0.34 0.44 0.05 0.00 0.51 0.00 0.00 175.35 176.69 1jhx s ALA 62 N -0.73 -0.09 -0.20 5.17 0.00 -0.68 -1.45 121.76 123.78 1jhx s ALA 62 Ca 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.84 1jhx s ALA 62 Cb -0.09 0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.10 1jhx s ALA 62 CO 0.01 -0.13 -0.15 0.08 0.00 0.00 0.00 175.76 175.57 1jhx s VAL 63 N -0.93 2.34 -0.28 0.00 1.01 0.70 -0.74 120.40 122.50 1jhx s VAL 63 Ca -0.10 -0.99 -0.14 0.00 0.00 0.00 0.00 61.98 60.75 1jhx s VAL 63 Cb -0.06 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 1jhx s VAL 63 CO 0.00 0.41 0.33 -0.76 0.00 0.00 0.00 175.10 175.08 1jhx s LEU 64 N 1.29 4.10 -0.29 3.92 1.02 -0.14 0.39 118.68 128.97 1jhx s LEU 64 Ca 0.03 0.14 -0.06 0.00 0.02 0.00 0.00 54.13 54.26 1jhx s LEU 64 Cb -0.15 -2.35 0.02 0.00 0.02 0.00 0.00 46.19 43.73 1jhx s LEU 64 CO -0.10 -0.18 0.06 -0.69 0.02 0.00 0.00 176.35 175.46 1jhx s VAL 65 N 2.00 3.77 -0.28 -1.59 1.01 0.31 -0.67 120.40 124.96 1jhx s VAL 65 Ca 0.13 -0.81 -0.19 0.00 0.00 0.00 0.00 61.98 61.11 1jhx s VAL 65 Cb -0.16 -2.97 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 1jhx s VAL 65 CO 0.10 0.06 0.54 -0.04 0.00 0.00 0.00 175.10 175.77 1jhx s MET 66 N 1.46 4.00 -0.08 2.72 1.00 -0.46 -0.09 119.30 127.85 1jhx s MET 66 Ca 0.01 0.30 0.02 0.00 0.00 0.00 0.00 55.69 56.02 1jhx s MET 66 Cb -0.17 -3.68 -0.02 0.00 0.00 0.00 0.00 34.83 30.95 1jhx s MET 66 CO 0.01 -0.42 -0.13 0.00 0.00 0.00 0.00 175.02 174.48 1jhx s ALA 68 N -0.32 -1.91 0.24 0.00 0.00 -0.46 -1.15 121.76 118.17 1jhx s ALA 68 Ca 0.03 1.40 0.05 0.00 0.00 0.00 0.00 51.96 53.44 1jhx s ALA 68 Cb -0.13 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 1jhx s ALA 68 CO 0.03 -0.46 0.37 -0.51 0.00 0.00 0.00 175.76 175.18 1jhx s ASP 69 N -1.68 6.30 -0.03 0.00 -0.00 -0.50 -4.06 116.67 116.70 1jhx s ASP 69 Ca 0.02 0.06 0.03 0.00 -0.00 0.00 0.00 52.55 52.65 1jhx s ASP 69 Cb -0.01 -1.83 0.00 0.00 -0.00 0.00 0.00 42.92 41.09 1jhx s ASP 69 CO -0.03 -0.09 -0.11 -1.00 -0.00 0.00 0.00 175.17 173.94 1jhx s HIS 70 N -1.99 1.14 0.41 4.23 3.76 -1.26 -1.60 115.29 119.98 1jhx s HIS 70 Ca 0.35 -0.30 0.09 0.00 -0.15 0.00 0.00 55.06 55.04 1jhx s HIS 70 Cb -0.09 -0.80 0.87 0.00 1.11 0.00 0.00 32.58 33.67 1jhx s HIS 70 CO 0.29 -0.12 2.01 0.78 -0.85 0.00 0.00 174.74 176.85 1jhx h GLY 71 N 6.37 0.39 1.98 -2.22 0.00 -1.44 -1.97 103.07 106.18 1jhx h GLY 71 Ca -0.33 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1jhx h GLY 71 CO 0.48 0.17 0.01 1.55 0.00 0.00 0.00 176.54 178.75 1jhx n VAL 72 N -4.41 1.44 -0.19 4.60 3.14 -1.26 -1.83 118.33 119.82 1jhx n VAL 72 Ca 0.01 0.64 0.09 0.00 -2.96 0.00 0.00 64.34 62.11 1jhx n VAL 72 Cb 0.14 -1.64 0.38 0.00 -1.06 0.00 0.00 33.84 31.67 1jhx n VAL 72 CO 0.00 0.00 0.00 -0.25 -6.46 0.00 0.00 176.83 170.12 1jhx h TRP 73 N 0.00 0.73 0.00 1.45 7.01 -1.68 -0.66 115.95 122.81 1jhx h TRP 73 Ca 0.00 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.02 1jhx h TRP 73 Cb 0.01 -0.24 0.00 0.00 -2.10 0.00 0.00 29.16 26.83 1jhx h TRP 73 CO 0.00 0.35 0.00 -0.25 -2.79 0.00 0.00 178.44 175.75 1jhx n ASP 74 N -4.50 0.26 -0.20 2.65 8.00 -0.76 -2.08 116.55 119.93 1jhx n ASP 74 Ca 0.12 0.60 0.08 0.00 0.71 0.00 0.00 54.79 56.30 1jhx n ASP 74 Cb 0.31 -0.64 0.39 0.00 -0.02 0.00 0.00 41.12 41.15 1jhx n ASP 74 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jhx n GLU 75 N -1.83 1.25 -2.05 -1.24 -0.58 -0.25 -4.90 120.64 111.05 1jhx n GLU 75 Ca 0.01 -0.39 -0.10 0.00 -0.42 0.00 0.00 57.16 56.26 1jhx n GLU 75 Cb 0.07 -1.27 -0.01 0.00 -0.57 0.00 0.00 31.44 29.66 1jhx n GLU 75 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jhx n GLY 76 N 0.85 0.15 0.45 0.62 0.00 -0.89 -4.93 105.19 101.44 1jhx n GLY 76 Ca 0.12 -0.48 0.13 0.00 0.00 0.00 0.00 46.02 45.80 1jhx n GLY 76 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1jhx n VAL 77 N -3.80 0.04 -3.79 1.61 0.24 -1.26 -4.89 118.33 106.48 1jhx n VAL 77 Ca -0.12 -0.25 -0.13 0.00 -2.04 0.00 0.00 64.34 61.81 1jhx n VAL 77 Cb 0.55 0.39 -0.13 0.00 -1.47 0.00 0.00 33.84 33.18 1jhx n VAL 77 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jhx s ALA 78 N -1.96 -0.41 -0.61 2.33 0.00 -1.26 -4.94 121.76 114.91 1jhx s ALA 78 Ca 0.38 0.60 0.24 0.00 0.00 0.00 0.00 51.96 53.18 1jhx s ALA 78 Cb 0.20 -0.37 0.39 0.00 0.00 0.00 0.00 23.12 23.34 1jhx s ALA 78 CO 0.32 -0.11 1.38 -0.39 0.00 0.00 0.00 175.76 176.96 1jhx h VAL 79 N 5.27 0.00 -3.08 0.00 -1.51 -1.90 -3.45 116.25 111.58 1jhx h VAL 79 Ca -0.31 -0.56 -0.54 0.00 -1.23 0.00 0.00 66.70 64.06 1jhx h VAL 79 Cb 1.18 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 31.56 1jhx h VAL 79 CO 0.40 0.00 0.67 -0.44 -1.23 0.00 0.00 177.57 176.97 1jhx s SER 80 N -4.46 6.99 0.44 4.19 0.01 -1.26 -4.96 113.70 114.64 1jhx s SER 80 Ca 0.06 2.04 -0.25 0.00 1.31 0.00 0.00 55.95 59.12 1jhx s SER 80 Cb 0.12 -2.57 -0.09 0.00 0.21 0.00 0.00 66.02 63.69 1jhx s SER 80 CO 0.70 -0.58 1.25 -2.65 0.41 0.00 0.00 173.24 172.38 1jhx n PRO 81 N 4.51 1.84 -0.24 12.44 -0.02 -1.26 -4.86 135.00 147.41 1jhx n PRO 81 Ca 0.11 0.66 0.08 0.00 -2.02 0.00 0.00 63.50 62.32 1jhx n PRO 81 Cb 0.45 -2.37 0.33 0.00 -0.02 0.00 0.00 33.50 31.89 1jhx n PRO 81 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1jhx h LYS 82 N 1.94 0.78 0.00 -0.52 3.64 -1.95 -1.73 116.57 118.73 1jhx h LYS 82 Ca -0.48 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1jhx h LYS 82 Cb 1.30 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1jhx h LYS 82 CO 0.59 0.51 0.00 1.51 -2.27 0.00 0.00 179.45 179.80 1jhx n ILE 83 N -4.51 0.95 0.00 2.00 0.13 -1.26 -2.69 119.36 113.99 1jhx n ILE 83 Ca 0.13 0.50 0.10 0.00 -1.10 0.00 0.00 62.75 62.38 1jhx n ILE 83 Cb 0.30 -1.47 0.52 0.00 -0.84 0.00 0.00 39.64 38.15 1jhx n ILE 83 CO 0.00 0.00 0.00 0.58 2.80 0.00 0.00 176.55 179.93 1jhx h VAL 84 N 0.00 0.96 -0.01 9.51 2.07 -1.66 -1.45 116.25 125.67 1jhx h VAL 84 Ca 0.00 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.42 1jhx h VAL 84 Cb 0.17 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1jhx h VAL 84 CO 0.00 0.06 -0.14 0.74 0.02 0.00 0.00 177.57 178.26 1jhx h THR 85 N 0.35 0.66 -0.61 2.57 2.02 -1.73 0.13 112.91 116.29 1jhx h THR 85 Ca 0.19 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.33 1jhx h THR 85 Cb 0.33 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 1jhx h THR 85 CO -0.04 0.00 0.21 0.00 0.37 0.00 0.00 175.52 176.06 1jhx h ALA 86 N 0.73 0.80 0.15 6.16 0.00 -1.65 -1.64 119.26 123.81 1jhx h ALA 86 Ca 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1jhx h ALA 86 Cb 0.29 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1jhx h ALA 86 CO -0.14 0.46 -0.07 0.82 0.00 0.00 0.00 179.25 180.31 1jhx h ILE 87 N 0.87 0.87 -0.37 0.00 2.04 -0.91 -2.53 117.51 117.47 1jhx h ILE 87 Ca 0.20 -0.05 -0.05 0.00 1.00 0.00 0.00 64.86 65.96 1jhx h ILE 87 Cb 0.26 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1jhx h ILE 87 CO -0.01 0.01 0.01 1.56 0.00 0.00 0.00 178.15 179.72 1jhx h GLN 88 N -0.22 0.58 -0.80 2.37 1.08 -0.74 -1.27 115.11 116.11 1jhx h GLN 88 Ca -0.02 -0.13 -0.04 0.00 -1.45 0.00 0.00 58.65 57.02 1jhx h GLN 88 Cb 0.17 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.48 1jhx h GLN 88 CO 0.03 0.60 0.35 0.00 -0.95 0.00 0.00 178.83 178.87 1jhx h ALA 89 N 1.46 1.03 -0.25 3.87 0.00 -1.13 0.72 119.26 124.97 1jhx h ALA 89 Ca 0.12 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1jhx h ALA 89 Cb 0.34 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1jhx h ALA 89 CO 0.01 0.63 0.03 0.00 0.00 0.00 0.00 179.25 179.92 1jhx h ALA 90 N 1.19 0.34 -0.61 0.00 0.00 -1.09 -2.39 119.26 116.69 1jhx h ALA 90 Ca 0.27 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.10 1jhx h ALA 90 Cb 0.16 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1jhx h ALA 90 CO -0.03 0.03 0.41 -0.91 0.00 0.00 0.00 179.25 178.75 1jhx h ASN 91 N 0.22 0.32 -0.23 0.00 2.35 -0.85 0.29 115.58 117.69 1jhx h ASN 91 Ca 0.07 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 1jhx h ASN 91 Cb 0.35 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 1jhx h ASN 91 CO 0.01 0.19 0.13 0.24 -1.65 0.00 0.00 177.43 176.34 1jhx h MET 92 N 0.36 0.35 0.00 0.81 2.86 -0.33 -0.91 114.93 118.08 1jhx h MET 92 Ca 0.28 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.88 1jhx h MET 92 Cb 0.64 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.22 1jhx h MET 92 CO -0.07 0.28 -0.06 1.79 1.06 0.00 0.00 176.91 179.90 1jhx h THR 93 N 0.36 0.16 -0.07 2.22 1.35 -0.32 -3.08 112.91 113.53 1jhx h THR 93 Ca 0.09 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1jhx h THR 93 Cb 0.04 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 1jhx h THR 93 CO -0.01 0.06 0.00 -2.11 -0.25 0.00 0.00 175.52 173.21 1jhx n ARG 94 N -3.18 2.31 -2.11 4.72 1.85 -0.39 -4.99 116.66 114.88 1jhx n ARG 94 Ca 0.01 -1.95 -0.13 0.00 -1.00 0.00 0.00 57.85 54.78 1jhx n ARG 94 Cb 0.36 -1.46 -0.01 0.00 -1.05 0.00 0.00 32.46 30.29 1jhx n ARG 94 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1jhx n GLY 95 N 1.35 0.08 0.49 2.89 0.00 -0.95 -4.92 105.19 104.12 1jhx n GLY 95 Ca 0.14 -0.36 0.10 0.00 0.00 0.00 0.00 46.02 45.91 1jhx n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jhx n THR 96 N -3.80 0.00 -2.01 2.61 -2.24 -1.20 -4.40 114.28 103.24 1jhx n THR 96 Ca -0.15 -0.31 -0.28 0.00 -2.27 0.00 0.00 64.05 61.04 1jhx n THR 96 Cb 0.59 1.25 0.08 0.00 -2.10 0.00 0.00 70.33 70.14 1jhx n THR 96 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1jhx s THR 97 N -2.21 2.33 0.11 4.28 -4.23 -1.26 -4.88 115.64 109.77 1jhx s THR 97 Ca 0.17 -0.03 -0.23 0.00 -1.18 0.00 0.00 61.69 60.42 1jhx s THR 97 Cb 0.16 -3.07 -0.09 0.00 1.34 0.00 0.00 72.50 70.83 1jhx s THR 97 CO 0.49 -0.09 1.70 1.23 -0.54 0.00 0.00 174.62 177.41 1jhx h GLY 98 N -0.83 -0.08 1.57 3.99 0.00 -1.97 -0.47 103.07 105.28 1jhx h GLY 98 Ca -0.45 0.09 -0.07 0.00 0.00 0.00 0.00 47.33 46.90 1jhx h GLY 98 CO 0.64 -0.09 -0.08 -0.24 0.00 0.00 0.00 176.54 176.77 1jhx h VAL 99 N -0.13 1.22 -0.35 4.60 3.04 -1.88 -2.04 116.25 120.72 1jhx h VAL 99 Ca 0.04 -0.95 -0.00 0.00 -1.01 0.00 0.00 66.70 64.77 1jhx h VAL 99 Cb 0.18 1.07 -0.02 0.00 -2.01 0.00 0.00 31.29 30.51 1jhx h VAL 99 CO -0.09 0.32 0.20 0.00 -1.01 0.00 0.00 177.57 176.99 1jhx h VAL 101 N 0.45 1.22 -0.37 0.00 2.07 -0.88 -1.88 116.25 116.85 1jhx h VAL 101 Ca 0.12 -0.73 -0.14 0.00 0.82 0.00 0.00 66.70 66.77 1jhx h VAL 101 Cb 0.03 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1jhx h VAL 101 CO -0.02 0.25 -0.34 -0.07 0.02 0.00 0.00 177.57 177.41 1jhx h LEU 102 N 0.42 0.88 -0.47 2.57 3.38 -1.28 -2.31 115.31 118.51 1jhx h LEU 102 Ca 0.11 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 1jhx h LEU 102 Cb 0.29 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1jhx h LEU 102 CO -0.00 1.13 0.16 0.00 0.09 0.00 0.00 178.44 179.82 1jhx h ALA 103 N 0.92 0.61 -0.73 1.53 0.00 -0.55 -1.82 119.26 119.22 1jhx h ALA 103 Ca 0.07 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.87 1jhx h ALA 103 Cb 0.90 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 1jhx h ALA 103 CO 0.08 0.25 0.42 0.00 0.00 0.00 0.00 179.25 180.00 1jhx h ALA 104 N 1.01 0.98 -0.68 0.00 0.00 -1.27 0.38 119.26 119.69 1jhx h ALA 104 Ca 0.15 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1jhx h ALA 104 Cb 0.25 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1jhx h ALA 104 CO -0.01 0.11 0.45 0.37 0.00 0.00 0.00 179.25 180.17 1jhx h GLN 105 N 0.77 0.78 -0.01 0.00 5.75 -1.00 -1.54 115.11 119.86 1jhx h GLN 105 Ca 0.32 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.78 1jhx h GLN 105 Cb 0.19 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 28.56 1jhx h GLN 105 CO -0.18 0.52 -0.18 0.00 -2.65 0.00 0.00 178.83 176.33 1jhx n ALA 106 N -2.44 2.93 -1.98 3.38 0.00 0.03 -4.94 120.51 117.49 1jhx n ALA 106 Ca 0.09 -0.40 -0.09 0.00 0.00 0.00 0.00 53.44 53.03 1jhx n ALA 106 Cb 0.14 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.42 1jhx n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jhx n GLY 107 N 1.29 0.23 3.92 0.00 0.00 0.11 -4.93 105.19 105.81 1jhx n GLY 107 Ca 0.14 -0.53 -0.24 0.00 0.00 0.00 0.00 46.02 45.39 1jhx n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jhx s ALA 108 N -2.43 3.86 -0.10 4.61 0.00 -0.10 -4.64 121.76 122.96 1jhx s ALA 108 Ca 0.00 -1.15 -0.04 0.00 0.00 0.00 0.00 51.96 50.77 1jhx s ALA 108 Cb 0.00 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.43 1jhx s ALA 108 CO 0.00 0.43 0.06 0.15 0.00 0.00 0.00 175.76 176.40 1jhx s LYS 109 N -3.47 3.22 -0.19 0.00 1.02 -0.53 -4.19 119.74 115.60 1jhx s LYS 109 Ca 0.34 -0.30 -0.16 0.00 0.02 0.00 0.00 55.97 55.87 1jhx s LYS 109 Cb -0.10 -2.97 -0.04 0.00 -0.52 0.00 0.00 37.83 34.20 1jhx s LYS 109 CO 0.27 0.71 0.38 0.08 -0.92 0.00 0.00 175.35 175.87 1jhx s VAL 110 N -0.86 5.22 -0.29 3.17 1.01 -1.26 -0.21 120.40 127.18 1jhx s VAL 110 Ca 0.13 0.68 -0.06 0.00 0.00 0.00 0.00 61.98 62.74 1jhx s VAL 110 Cb -0.12 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.56 1jhx s VAL 110 CO 0.03 0.28 0.05 -1.00 0.00 0.00 0.00 175.10 174.46 1jhx s HIS 111 N 1.12 3.13 -0.26 5.22 3.76 0.16 -4.93 115.29 123.49 1jhx s HIS 111 Ca 0.19 -1.10 -0.16 0.00 -0.15 0.00 0.00 55.06 53.84 1jhx s HIS 111 Cb -0.14 -2.21 -0.03 0.00 1.11 0.00 0.00 32.58 31.30 1jhx s HIS 111 CO 0.07 -0.61 0.42 0.08 -0.85 0.00 0.00 174.74 173.86 1jhx s VAL 112 N 1.46 5.14 -0.17 -0.90 1.01 -1.26 -0.53 120.40 125.15 1jhx s VAL 112 Ca 0.02 0.69 0.01 0.00 0.00 0.00 0.00 61.98 62.69 1jhx s VAL 112 Cb -0.17 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.48 1jhx s VAL 112 CO 0.01 0.14 -0.18 -0.63 0.00 0.00 0.00 175.10 174.44 1jhx s ILE 113 N 2.06 2.28 -0.42 2.22 1.01 0.87 -0.83 121.20 128.39 1jhx s ILE 113 Ca 0.17 -0.88 -0.22 0.00 0.00 0.00 0.00 60.65 59.72 1jhx s ILE 113 Cb -0.16 -1.96 0.02 0.00 0.01 0.00 0.00 42.46 40.38 1jhx s ILE 113 CO 0.09 0.53 0.74 -0.62 0.00 0.00 0.00 174.94 175.68 1jhx s ASP 114 N 1.16 6.43 0.00 3.58 3.68 0.44 -0.40 116.67 131.56 1jhx s ASP 114 Ca 0.01 -0.02 0.16 0.00 2.13 0.00 0.00 52.55 54.84 1jhx s ASP 114 Cb -0.14 -2.37 0.06 0.00 -1.45 0.00 0.00 42.92 39.02 1jhx s ASP 114 CO -0.08 -0.81 0.94 1.33 0.13 0.00 0.00 175.17 176.67 1jhx n VAL 115 N 5.95 0.00 0.00 1.11 0.24 -0.30 -0.47 118.33 124.85 1jhx n VAL 115 Ca 0.01 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 1jhx n VAL 115 Cb 0.48 1.27 0.00 0.00 -1.47 0.00 0.00 33.84 34.12 1jhx n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jhx n GLY 116 N 1.05 0.00 3.75 7.63 0.00 -1.10 -1.06 105.19 115.46 1jhx n GLY 116 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1jhx n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jhx s ILE 117 N 0.00 3.36 -1.22 -0.61 1.01 -1.26 -1.17 121.20 121.31 1jhx s ILE 117 Ca 0.00 1.24 -0.12 0.00 0.00 0.00 0.00 60.65 61.77 1jhx s ILE 117 Cb 0.00 -3.79 0.18 0.00 0.01 0.00 0.00 42.46 38.86 1jhx s ILE 117 CO 0.00 0.24 1.55 -0.67 0.00 0.00 0.00 174.94 176.06 1jhx n ASP 118 N 1.85 5.24 -3.56 3.58 4.64 -1.26 -4.22 116.55 122.83 1jhx n ASP 118 Ca 0.02 -3.03 -0.01 0.00 -1.38 0.00 0.00 54.79 50.39 1jhx n ASP 118 Cb 0.44 -1.52 0.01 0.00 -1.04 0.00 0.00 41.12 39.01 1jhx n ASP 118 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1jhx s ALA 119 N 0.91 -1.91 0.75 -1.67 0.00 -1.26 -4.98 121.76 113.60 1jhx s ALA 119 Ca 0.41 -0.07 -0.12 0.00 0.00 0.00 0.00 51.96 52.18 1jhx s ALA 119 Cb 0.01 0.74 0.05 0.00 0.00 0.00 0.00 23.12 23.91 1jhx s ALA 119 CO 0.00 -1.09 1.11 -1.21 0.00 0.00 0.00 175.76 174.57 1jhx s GLU 120 N -2.26 2.28 0.54 0.00 2.02 -1.26 -4.94 118.70 115.08 1jhx s GLU 120 Ca 0.22 1.30 -0.22 0.00 0.02 0.00 0.00 54.97 56.29 1jhx s GLU 120 Cb -0.01 -1.89 -0.05 0.00 0.10 0.00 0.00 34.13 32.28 1jhx s GLU 120 CO 0.02 -1.64 1.38 -2.30 0.02 0.00 0.00 175.26 172.74 1jhx n PRO 121 N -3.25 1.76 -3.97 0.39 -0.02 -1.26 -4.98 135.00 123.68 1jhx n PRO 121 Ca 0.10 0.64 -0.35 0.00 -2.02 0.00 0.00 63.50 61.87 1jhx n PRO 121 Cb 0.52 -2.59 -0.13 0.00 -0.02 0.00 0.00 33.50 31.28 1jhx n PRO 121 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1jhx s ILE 122 N -1.28 3.89 0.36 4.25 1.01 -1.26 -5.07 121.20 123.10 1jhx s ILE 122 Ca 0.71 -0.33 -0.28 0.00 0.00 0.00 0.00 60.65 60.75 1jhx s ILE 122 Cb -0.42 -2.78 -0.10 0.00 0.01 0.00 0.00 42.46 39.17 1jhx s ILE 122 CO 0.50 0.41 1.37 -2.84 0.00 0.00 0.00 174.94 174.37 1jhx s PRO 123 N 1.25 4.22 0.00 2.79 0.02 -1.26 -2.06 135.00 139.95 1jhx s PRO 123 Ca 0.04 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.38 1jhx s PRO 123 Cb -0.15 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.38 1jhx s PRO 123 CO 0.01 -0.35 0.00 0.41 -0.33 0.00 0.00 177.00 176.74 1jhx n GLY 124 N 0.67 2.59 3.79 0.52 0.00 -1.26 -5.02 105.19 106.48 1jhx n GLY 124 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1jhx n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jhx s VAL 125 N -2.38 4.99 0.07 1.61 1.01 -0.88 -4.89 120.40 119.93 1jhx s VAL 125 Ca 0.00 1.02 -0.31 0.00 0.00 0.00 0.00 61.98 62.70 1jhx s VAL 125 Cb 0.00 -3.82 -0.08 0.00 0.00 0.00 0.00 36.38 32.48 1jhx s VAL 125 CO 0.00 0.48 1.57 -0.69 0.00 0.00 0.00 175.10 176.45 1jhx s VAL 126 N -0.47 3.17 -0.39 2.92 1.01 -0.01 -4.86 120.40 121.76 1jhx s VAL 126 Ca 0.27 0.65 -0.17 0.00 0.00 0.00 0.00 61.98 62.73 1jhx s VAL 126 Cb -0.17 -3.42 0.01 0.00 0.00 0.00 0.00 36.38 32.80 1jhx s VAL 126 CO 0.14 0.01 0.46 0.21 0.00 0.00 0.00 175.10 175.92 1jhx s ASN 127 N 2.05 6.23 -0.02 3.32 3.84 -1.26 -0.42 114.94 128.68 1jhx s ASN 127 Ca 0.70 -0.42 0.22 0.00 0.21 0.00 0.00 52.86 53.58 1jhx s ASN 127 Cb -0.38 -2.24 0.39 0.00 -0.55 0.00 0.00 41.25 38.47 1jhx s ASN 127 CO 0.31 -0.54 1.16 0.23 -2.79 0.00 0.00 177.10 175.47 1jhx n MET 128 N 5.67 0.14 -1.71 0.43 2.81 0.37 -4.97 117.12 119.87 1jhx n MET 128 Ca -0.06 -2.02 -0.43 0.00 -1.81 0.00 0.00 57.70 53.37 1jhx n MET 128 Cb 0.48 -0.19 -0.03 0.00 -0.71 0.00 0.00 33.22 32.76 1jhx n MET 128 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 1jhx n ARG 129 N 0.30 2.63 -0.01 0.03 1.85 -0.34 -4.41 116.66 116.71 1jhx n ARG 129 Ca 0.07 0.95 -0.21 0.00 -1.00 0.00 0.00 57.85 57.66 1jhx n ARG 129 Cb 1.07 -2.78 -0.13 0.00 -1.05 0.00 0.00 32.46 29.56 1jhx n ARG 129 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1jhx h VAL 130 N 3.79 1.10 -2.59 8.89 2.07 -1.39 -3.46 116.25 124.65 1jhx h VAL 130 Ca -0.44 -2.37 0.14 0.00 0.82 0.00 0.00 66.70 64.85 1jhx h VAL 130 Cb 1.21 2.73 -0.07 0.00 -1.52 0.00 0.00 31.29 33.64 1jhx h VAL 130 CO 0.94 0.65 0.39 0.00 0.02 0.00 0.00 177.57 179.57 1jhx s ALA 131 N -2.44 -1.50 -1.30 1.67 0.00 -1.26 -5.06 121.76 111.87 1jhx s ALA 131 Ca -0.21 -0.01 -0.18 0.00 0.00 0.00 0.00 51.96 51.56 1jhx s ALA 131 Cb 0.04 0.72 0.04 0.00 0.00 0.00 0.00 23.12 23.92 1jhx s ALA 131 CO 0.74 -1.03 1.85 0.54 0.00 0.00 0.00 175.76 177.86 1jhx n ARG 132 N -0.46 2.94 0.00 0.00 1.74 -1.26 -4.14 116.66 115.47 1jhx n ARG 132 Ca -0.05 -3.04 0.00 0.00 -0.77 0.00 0.00 57.85 53.98 1jhx n ARG 132 Cb 0.60 -3.47 0.00 0.00 -1.02 0.00 0.00 32.46 28.57 1jhx n ARG 132 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jhx n GLY 133 N 5.18 -1.68 3.96 -0.13 0.00 -0.32 -4.62 105.19 107.58 1jhx n GLY 133 Ca 0.49 -1.45 -0.23 0.00 0.00 0.00 0.00 46.02 44.84 1jhx n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jhx s GLY 135 N -4.48 2.50 -0.45 0.00 0.00 0.15 -1.58 107.32 103.47 1jhx s GLY 135 Ca 0.59 0.78 -0.28 0.00 0.00 0.00 0.00 44.72 45.81 1jhx s GLY 135 CO 0.41 1.15 1.67 0.21 0.00 0.00 0.00 173.10 176.54 1jhx s ASN 136 N -1.98 5.88 0.61 1.64 2.47 -1.26 -4.11 114.94 118.19 1jhx s ASN 136 Ca 0.72 0.82 0.41 0.00 0.42 0.00 0.00 52.86 55.23 1jhx s ASN 136 Cb -0.24 -2.53 2.19 0.00 -1.45 0.00 0.00 41.25 39.21 1jhx s ASN 136 CO 0.33 -1.80 2.25 0.16 -3.72 0.00 0.00 177.10 174.32 1jhx h ILE 137 N 6.68 0.00 0.00 -5.21 3.07 -1.83 -2.23 117.51 117.99 1jhx h ILE 137 Ca -0.29 -0.03 -0.03 0.00 1.55 0.00 0.00 64.86 66.05 1jhx h ILE 137 Cb 1.14 0.96 -0.00 0.00 -0.27 0.00 0.00 36.82 38.64 1jhx h ILE 137 CO 1.11 0.00 -0.15 0.00 -1.05 0.00 0.00 178.15 178.06 1jhx h ALA 138 N 2.00 1.53 0.00 0.16 0.00 -1.89 -3.20 119.26 117.87 1jhx h ALA 138 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1jhx h ALA 138 Cb 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1jhx h ALA 138 CO 0.00 0.19 0.00 1.33 0.00 0.00 0.00 179.25 180.77 1jhx n VAL 139 N -4.04 0.35 -2.18 0.00 0.24 -0.86 -4.39 118.33 107.45 1jhx n VAL 139 Ca -0.02 -0.65 0.00 0.00 -2.04 0.00 0.00 64.34 61.62 1jhx n VAL 139 Cb 0.23 0.85 0.00 0.00 -1.47 0.00 0.00 33.84 33.45 1jhx n VAL 139 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jhx n GLY 140 N -0.18 -1.34 3.77 7.63 0.00 -1.08 -5.04 105.19 108.96 1jhx n GLY 140 Ca 0.00 -0.95 -0.34 0.00 0.00 0.00 0.00 46.02 44.73 1jhx n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jhx s PRO 141 N -0.94 3.05 0.23 1.61 0.04 -1.26 -3.63 135.00 134.11 1jhx s PRO 141 Ca 0.00 1.46 -0.01 0.00 0.04 0.00 0.00 61.00 62.50 1jhx s PRO 141 Cb 0.00 -1.98 0.26 0.00 0.04 0.00 0.00 34.50 32.82 1jhx s PRO 141 CO 0.00 -1.06 1.62 0.00 0.04 0.00 0.00 177.00 177.60 1jhx h ALA 142 N 0.52 0.91 -2.36 8.56 0.00 -0.48 -3.39 119.26 123.03 1jhx h ALA 142 Ca -0.48 -0.42 0.10 0.00 0.00 0.00 0.00 54.91 54.12 1jhx h ALA 142 Cb 1.25 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1jhx h ALA 142 CO 0.55 0.63 0.41 0.00 0.00 0.00 0.00 179.25 180.84 1jhx n MET 143 N -4.05 0.53 -3.06 0.00 0.00 -0.41 -0.67 117.12 109.44 1jhx n MET 143 Ca -0.01 -1.17 -0.28 0.00 0.00 0.00 0.00 57.70 56.25 1jhx n MET 143 Cb 0.49 1.56 -0.02 0.00 0.00 0.00 0.00 33.22 35.25 1jhx n MET 143 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1jhx s SER 144 N -2.78 6.38 0.29 3.17 1.04 -1.26 -4.54 113.70 116.00 1jhx s SER 144 Ca 0.16 0.80 0.00 0.00 0.48 0.00 0.00 55.95 57.40 1jhx s SER 144 Cb -0.02 -2.18 0.51 0.00 0.10 0.00 0.00 66.02 64.42 1jhx s SER 144 CO 0.05 -0.36 1.90 -0.09 0.98 0.00 0.00 173.24 175.71 1jhx h ARG 145 N 1.02 1.02 -0.65 4.02 2.43 -1.93 -1.67 114.38 118.62 1jhx h ARG 145 Ca -0.48 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 58.56 1jhx h ARG 145 Cb 1.20 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 30.49 1jhx h ARG 145 CO 0.63 0.68 0.12 -0.07 -1.51 0.00 0.00 179.97 179.82 1jhx h LEU 146 N 1.05 1.02 -0.86 3.80 -0.00 -1.99 -1.56 115.31 116.77 1jhx h LEU 146 Ca 0.41 -0.25 -0.02 0.00 -0.00 0.00 0.00 57.88 58.02 1jhx h LEU 146 Cb 0.24 -0.27 -0.04 0.00 -0.00 0.00 0.00 40.66 40.59 1jhx h LEU 146 CO -0.17 1.01 0.45 1.56 -0.00 0.00 0.00 178.44 181.30 1jhx h GLN 147 N 0.99 1.21 -0.15 1.13 4.20 -1.72 -1.14 115.11 119.63 1jhx h GLN 147 Ca 0.20 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1jhx h GLN 147 Cb 0.41 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1jhx h GLN 147 CO 0.01 0.90 0.06 0.00 -0.67 0.00 0.00 178.83 179.13 1jhx h ALA 148 N 1.24 0.20 -0.54 3.87 0.00 -0.97 -2.25 119.26 120.81 1jhx h ALA 148 Ca 0.30 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1jhx h ALA 148 Cb 0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1jhx h ALA 148 CO -0.05 -0.22 0.33 0.93 0.00 0.00 0.00 179.25 180.24 1jhx h GLU 149 N 0.10 0.73 -0.51 0.00 5.08 -1.09 -0.50 114.58 118.37 1jhx h GLU 149 Ca 0.05 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1jhx h GLU 149 Cb 0.16 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1jhx h GLU 149 CO -0.00 0.53 0.24 0.00 -1.00 0.00 0.00 179.01 178.77 1jhx h ALA 150 N 1.16 0.66 -0.53 3.43 0.00 -1.18 -1.53 119.26 121.27 1jhx h ALA 150 Ca 0.19 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1jhx h ALA 150 Cb -0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1jhx h ALA 150 CO -0.04 0.23 0.15 1.25 0.00 0.00 0.00 179.25 180.84 1jhx h LEU 151 N 0.69 0.79 -0.46 0.00 5.85 -1.17 0.35 115.31 121.35 1jhx h LEU 151 Ca 0.18 -0.22 0.08 0.00 0.84 0.00 0.00 57.88 58.75 1jhx h LEU 151 Cb 0.13 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 1jhx h LEU 151 CO -0.02 0.80 0.09 -0.07 -0.34 0.00 0.00 178.44 178.90 1jhx h LEU 152 N 0.74 0.01 0.15 2.25 3.38 -0.87 -0.59 115.31 120.37 1jhx h LEU 152 Ca 0.17 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1jhx h LEU 152 Cb 0.31 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1jhx h LEU 152 CO -0.00 0.04 -0.07 -0.07 0.09 0.00 0.00 178.44 178.42 1jhx h LEU 153 N 0.23 -0.17 0.02 1.67 4.07 -0.91 -0.97 115.31 119.25 1jhx h LEU 153 Ca 0.23 -0.01 0.01 0.00 0.08 0.00 0.00 57.88 58.19 1jhx h LEU 153 Cb 0.29 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.06 1jhx h LEU 153 CO -0.30 -0.11 -0.07 -0.08 -1.08 0.00 0.00 178.44 176.81 1jhx h GLU 154 N -0.21 -0.12 -0.67 1.13 4.81 -0.64 -2.28 114.58 116.58 1jhx h GLU 154 Ca -0.02 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 1jhx h GLU 154 Cb 0.17 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 1jhx h GLU 154 CO 0.03 -0.08 0.13 0.28 -0.73 0.00 0.00 179.01 178.64 1jhx h VAL 155 N -0.13 1.26 -0.46 0.32 2.07 -1.10 -1.82 116.25 116.40 1jhx h VAL 155 Ca 0.02 -1.01 0.07 0.00 0.82 0.00 0.00 66.70 66.60 1jhx h VAL 155 Cb 0.15 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 30.48 1jhx h VAL 155 CO -0.06 0.38 0.11 0.28 0.02 0.00 0.00 177.57 178.31 1jhx h SER 156 N 1.03 0.05 -0.19 0.57 0.02 -1.10 -0.30 113.55 113.62 1jhx h SER 156 Ca 0.21 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.21 1jhx h SER 156 Cb 0.42 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 1jhx h SER 156 CO 0.01 0.06 0.04 0.03 -1.14 0.00 0.00 176.83 175.83 1jhx h ARG 157 N 0.25 0.32 -0.77 3.45 3.08 -1.27 -2.12 114.38 117.32 1jhx h ARG 157 Ca 0.23 -0.08 0.08 0.00 0.07 0.00 0.00 59.98 60.27 1jhx h ARG 157 Cb 0.28 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.22 1jhx h ARG 157 CO -0.28 0.46 0.44 -0.92 -1.07 0.00 0.00 179.97 178.60 1jhx h TYR 158 N 0.12 0.80 0.11 3.04 3.20 -0.89 -0.08 116.97 123.27 1jhx h TYR 158 Ca 0.06 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 1jhx h TYR 158 Cb 0.29 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.32 1jhx h TYR 158 CO 0.01 0.35 -0.05 1.15 -1.64 0.00 0.00 178.16 177.99 1jhx h THR 159 N 0.77 0.91 -0.80 1.81 2.02 -0.88 -2.41 112.91 114.32 1jhx h THR 159 Ca 0.36 -0.04 -0.04 0.00 0.77 0.00 0.00 66.41 67.46 1jhx h THR 159 Cb 0.28 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 1jhx h THR 159 CO -0.22 0.01 0.35 0.00 0.37 0.00 0.00 175.52 176.03 1jhx h ASP 161 N 1.14 0.58 0.00 0.00 2.03 -0.84 -0.05 116.42 119.27 1jhx h ASP 161 Ca 0.27 0.01 -0.06 0.00 -0.73 0.00 0.00 57.03 56.52 1jhx h ASP 161 Cb 0.17 -0.11 -0.01 0.00 -0.83 0.00 0.00 39.33 38.55 1jhx h ASP 161 CO -0.03 0.35 -0.14 -0.07 -1.03 0.00 0.00 179.24 178.32 1jhx h LEU 162 N 0.65 0.28 -1.22 0.15 3.38 -0.83 -2.04 115.31 115.67 1jhx h LEU 162 Ca 0.33 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.24 1jhx h LEU 162 Cb 0.43 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1jhx h LEU 162 CO -0.11 0.45 0.51 0.00 0.09 0.00 0.00 178.44 179.38 1jhx h ALA 163 N 1.58 1.43 0.00 1.53 0.00 -0.97 0.31 119.26 123.15 1jhx h ALA 163 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jhx h ALA 163 Cb 0.42 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1jhx h ALA 163 CO 0.03 0.53 0.00 0.37 0.00 0.00 0.00 179.25 180.17 1jhx h GLN 164 N 1.07 0.00 -0.51 0.00 4.15 -1.15 -1.79 115.11 116.88 1jhx h GLN 164 Ca 0.29 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.71 1jhx h GLN 164 Cb -0.11 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.58 1jhx h GLN 164 CO -0.06 0.00 0.00 0.54 -1.93 0.00 0.00 178.83 177.38 1jhx n ARG 165 N -2.84 4.20 -0.09 1.69 1.74 0.09 -4.94 116.66 116.51 1jhx n ARG 165 Ca -0.02 -3.02 0.00 0.00 -0.77 0.00 0.00 57.85 54.03 1jhx n ARG 165 Cb 0.07 -2.08 0.00 0.00 -1.02 0.00 0.00 32.46 29.42 1jhx n ARG 165 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jhx n GLY 166 N 0.43 0.69 3.72 -0.13 0.00 -0.67 -5.00 105.19 104.23 1jhx n GLY 166 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 1jhx n GLY 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jhx s VAL 167 N -2.33 3.64 0.00 1.61 1.01 -1.13 -1.86 120.40 121.34 1jhx s VAL 167 Ca 0.00 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.19 1jhx s VAL 167 Cb 0.00 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1jhx s VAL 167 CO 0.00 0.11 0.04 0.35 0.00 0.00 0.00 175.10 175.60 1jhx n THR 168 N 3.69 0.00 -3.76 3.92 -2.24 0.41 -4.35 114.28 111.95 1jhx n THR 168 Ca 0.09 -0.47 -0.20 0.00 -2.27 0.00 0.00 64.05 61.20 1jhx n THR 168 Cb 0.44 1.00 -0.17 0.00 -2.10 0.00 0.00 70.33 69.50 1jhx n THR 168 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1jhx s LEU 169 N -1.72 0.54 0.18 3.22 2.96 -1.14 -4.16 118.68 118.57 1jhx s LEU 169 Ca 0.00 0.01 0.07 0.00 -0.22 0.00 0.00 54.13 53.99 1jhx s LEU 169 Cb 0.00 -0.23 -0.04 0.00 0.50 0.00 0.00 46.19 46.42 1jhx s LEU 169 CO 0.00 -0.19 0.06 -0.36 -1.32 0.00 0.00 176.35 174.54 1jhx s PHE 170 N 1.80 2.96 0.02 5.38 0.40 -0.74 -1.69 117.98 126.10 1jhx s PHE 170 Ca 0.01 -0.10 0.03 0.00 -0.60 0.00 0.00 56.93 56.27 1jhx s PHE 170 Cb -0.12 -1.41 -0.01 0.00 0.51 0.00 0.00 43.02 41.98 1jhx s PHE 170 CO -0.03 0.53 -0.10 0.20 0.70 0.00 0.00 175.22 176.51 1jhx s GLY 171 N -3.13 0.55 -0.02 4.36 0.00 0.08 -0.26 107.32 108.91 1jhx s GLY 171 Ca 0.29 -0.58 0.07 0.00 0.00 0.00 0.00 44.72 44.51 1jhx s GLY 171 CO 0.21 -0.54 -0.24 0.54 0.00 0.00 0.00 173.10 173.07 1jhx s VAL 172 N -0.59 1.87 0.30 1.40 0.11 -1.11 -0.97 120.40 121.41 1jhx s VAL 172 Ca 0.01 -1.01 -0.13 0.00 -2.93 0.00 0.00 61.98 57.92 1jhx s VAL 172 Cb -0.06 -1.56 0.01 0.00 -1.53 0.00 0.00 36.38 33.25 1jhx s VAL 172 CO 0.00 0.53 0.58 -0.83 -3.33 0.00 0.00 175.10 172.05 1jhx s GLY 173 N -0.50 0.58 0.21 6.54 0.00 0.16 -4.23 107.32 110.07 1jhx s GLY 173 Ca 0.08 -0.88 -0.03 0.00 0.00 0.00 0.00 44.72 43.89 1jhx s GLY 173 CO -0.00 -0.55 0.19 -1.83 0.00 0.00 0.00 173.10 170.91 1jhx s GLU 174 N -3.51 1.26 -0.26 2.90 4.04 -1.26 -1.35 118.70 120.52 1jhx s GLU 174 Ca 0.21 -1.56 -0.05 0.00 0.04 0.00 0.00 54.97 53.61 1jhx s GLU 174 Cb -0.02 0.31 0.14 0.00 0.02 0.00 0.00 34.13 34.57 1jhx s GLU 174 CO 0.11 -0.43 0.49 -1.17 -1.84 0.00 0.00 175.26 172.42 1jhx s LEU 175 N -3.13 -0.92 -0.30 1.83 2.96 -0.59 -2.10 118.68 116.42 1jhx s LEU 175 Ca 0.36 0.83 -0.17 0.00 -0.22 0.00 0.00 54.13 54.93 1jhx s LEU 175 Cb 0.06 1.66 0.17 0.00 0.50 0.00 0.00 46.19 48.58 1jhx s LEU 175 CO 0.11 -0.26 1.20 -0.83 -1.32 0.00 0.00 176.35 175.25 1jhx s GLY 176 N 2.71 -0.10 0.30 7.98 0.00 -1.26 -1.35 107.32 115.60 1jhx s GLY 176 Ca 0.08 3.12 -0.30 0.00 0.00 0.00 0.00 44.72 47.62 1jhx s GLY 176 CO -0.17 3.88 1.57 1.03 0.00 0.00 0.00 173.10 179.40 1jhx n MET 177 N 5.39 2.64 -0.95 2.90 2.81 -1.26 -1.82 117.12 126.83 1jhx n MET 177 Ca -0.09 0.94 0.00 0.00 -1.81 0.00 0.00 57.70 56.74 1jhx n MET 177 Cb 0.55 -2.70 0.00 0.00 -0.71 0.00 0.00 33.22 30.35 1jhx n MET 177 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1jhx n ALA 178 N 1.93 0.00 0.32 3.04 0.00 -1.26 -4.33 120.51 120.22 1jhx n ALA 178 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.65 1jhx n ALA 178 Cb 0.36 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.40 1jhx n ALA 178 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1jhx h ASN 179 N 0.00 0.00 0.74 0.00 7.08 -1.75 -2.67 115.58 118.98 1jhx h ASN 179 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1jhx h ASN 179 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 1jhx h ASN 179 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 177.43 175.70 1jhx n THR 180 N -2.42 0.82 0.14 6.14 -2.24 -1.26 -2.14 114.28 113.31 1jhx n THR 180 Ca 0.01 0.22 -0.07 0.00 -2.27 0.00 0.00 64.05 61.94 1jhx n THR 180 Cb 0.19 -1.16 -0.04 0.00 -2.10 0.00 0.00 70.33 67.22 1jhx n THR 180 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1jhx h THR 181 N 0.00 0.08 -0.63 4.28 2.02 -1.85 -1.58 112.91 115.22 1jhx h THR 181 Ca 0.00 -0.72 0.04 0.00 0.77 0.00 0.00 66.41 66.51 1jhx h THR 181 Cb 0.37 0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 66.88 1jhx h THR 181 CO 0.00 0.02 0.42 1.55 0.37 0.00 0.00 175.52 177.88 1jhx h PRO 182 N -1.10 0.69 -0.54 6.66 0.13 -1.73 -1.21 132.00 134.90 1jhx h PRO 182 Ca -0.04 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 65.06 1jhx h PRO 182 Cb 0.36 -0.16 -0.03 0.00 0.13 0.00 0.00 31.00 31.31 1jhx h PRO 182 CO 0.07 0.46 0.35 0.00 -0.23 0.00 0.00 178.00 178.65 1jhx h ALA 183 N 1.64 0.68 -0.72 -0.56 0.00 -1.47 -1.12 119.26 117.71 1jhx h ALA 183 Ca 0.26 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1jhx h ALA 183 Cb 0.14 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1jhx h ALA 183 CO -0.08 0.10 0.32 0.00 0.00 0.00 0.00 179.25 179.59 1jhx h ALA 184 N 1.21 0.94 -0.51 0.00 0.00 -0.25 -1.69 119.26 118.95 1jhx h ALA 184 Ca 0.20 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1jhx h ALA 184 Cb -0.06 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 1jhx h ALA 184 CO -0.06 0.53 0.33 0.00 0.00 0.00 0.00 179.25 180.06 1jhx h ALA 185 N 1.15 0.65 -0.11 0.00 0.00 -0.74 0.66 119.26 120.88 1jhx h ALA 185 Ca 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1jhx h ALA 185 Cb 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1jhx h ALA 185 CO -0.03 0.07 0.07 0.52 0.00 0.00 0.00 179.25 179.88 1jhx h MET 186 N 0.67 0.14 -0.43 0.00 2.86 -1.02 -1.44 114.93 115.70 1jhx h MET 186 Ca 0.19 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.87 1jhx h MET 186 Cb -0.05 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.54 1jhx h MET 186 CO -0.06 0.09 0.19 0.28 1.06 0.00 0.00 176.91 178.47 1jhx h VAL 187 N 0.14 0.92 -0.37 -2.22 2.07 -0.97 0.16 116.25 115.97 1jhx h VAL 187 Ca 0.04 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.47 1jhx h VAL 187 Cb -0.01 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 1jhx h VAL 187 CO -0.01 0.07 0.13 -1.28 0.02 0.00 0.00 177.57 176.50 1jhx h SER 188 N 0.38 0.14 -0.19 0.57 0.87 -0.59 -0.31 113.55 114.42 1jhx h SER 188 Ca 0.19 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.78 1jhx h SER 188 Cb 0.14 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 1jhx h SER 188 CO -0.17 0.12 0.05 0.58 -0.53 0.00 0.00 176.83 176.88 1jhx h VAL 189 N 0.28 1.20 -0.27 2.23 2.07 -0.71 0.25 116.25 121.31 1jhx h VAL 189 Ca 0.17 -0.66 -0.13 0.00 0.82 0.00 0.00 66.70 66.90 1jhx h VAL 189 Cb 0.15 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1jhx h VAL 189 CO -0.17 0.20 -0.38 -0.26 0.02 0.00 0.00 177.57 176.97 1jhx h PHE 190 N 0.13 0.73 -0.01 1.57 0.04 -0.52 -3.24 116.94 115.64 1jhx h PHE 190 Ca 0.06 -0.21 0.00 0.00 2.80 0.00 0.00 57.97 60.62 1jhx h PHE 190 Cb 0.27 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.26 1jhx h PHE 190 CO 0.01 0.91 -0.54 0.25 -0.60 0.00 0.00 178.31 178.34 1jhx n THR 191 N -4.04 0.00 -2.27 -1.55 -2.24 -0.14 -4.96 114.28 99.07 1jhx n THR 191 Ca -0.02 -0.21 -0.15 0.00 -2.27 0.00 0.00 64.05 61.40 1jhx n THR 191 Cb 0.51 1.14 -0.01 0.00 -2.10 0.00 0.00 70.33 69.87 1jhx n THR 191 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jhx n GLY 192 N 1.43 -0.23 3.86 3.38 0.00 0.81 -4.99 105.19 109.45 1jhx n GLY 192 Ca 0.09 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 1jhx n GLY 192 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jhx s SER 193 N -2.31 6.69 0.51 1.61 0.01 -0.83 -5.03 113.70 114.36 1jhx s SER 193 Ca 0.00 0.89 -0.21 0.00 1.31 0.00 0.00 55.95 57.93 1jhx s SER 193 Cb 0.00 -2.21 -0.06 0.00 0.21 0.00 0.00 66.02 63.96 1jhx s SER 193 CO 0.00 0.12 1.21 -0.62 0.41 0.00 0.00 173.24 174.36 1jhx s ASP 194 N -1.82 5.74 0.41 2.44 2.15 -1.26 -4.60 116.67 119.72 1jhx s ASP 194 Ca 0.36 2.39 0.14 0.00 0.43 0.00 0.00 52.55 55.87 1jhx s ASP 194 Cb -0.14 -2.61 0.99 0.00 -0.30 0.00 0.00 42.92 40.87 1jhx s ASP 194 CO 0.19 -1.22 1.93 0.00 -0.17 0.00 0.00 175.17 175.90 1jhx h ALA 195 N 1.59 2.02 -0.52 3.66 0.00 -1.94 -1.52 119.26 122.56 1jhx h ALA 195 Ca -0.50 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.44 1jhx h ALA 195 Cb 1.27 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1jhx h ALA 195 CO 0.58 -0.21 0.34 1.57 0.00 0.00 0.00 179.25 181.54 1jhx h LYS 196 N 0.47 0.58 0.00 0.00 -0.00 -1.92 -2.44 116.57 113.27 1jhx h LYS 196 Ca 0.35 -0.04 -0.08 0.00 -0.00 0.00 0.00 60.65 60.89 1jhx h LYS 196 Cb 0.71 -0.13 -0.01 0.00 -0.00 0.00 0.00 32.23 32.80 1jhx h LYS 196 CO -0.12 0.39 -0.37 0.93 -0.00 0.00 0.00 179.45 180.28 1jhx h GLU 197 N 0.60 0.00 -0.01 0.07 5.08 -1.64 -3.34 114.58 115.34 1jhx h GLU 197 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1jhx h GLU 197 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1jhx h GLU 197 CO -0.05 0.37 0.00 1.33 -1.00 0.00 0.00 179.01 179.65 1jhx n VAL 198 N -3.49 0.05 -3.06 3.13 0.24 -1.03 -4.24 118.33 109.92 1jhx n VAL 198 Ca -0.00 -0.52 -0.42 0.00 -2.04 0.00 0.00 64.34 61.36 1jhx n VAL 198 Cb 0.52 1.08 -0.06 0.00 -1.47 0.00 0.00 33.84 33.91 1jhx n VAL 198 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1jhx s VAL 199 N -0.47 4.87 0.27 3.34 1.01 -0.95 -3.63 120.40 124.84 1jhx s VAL 199 Ca 0.07 0.89 0.03 0.00 0.00 0.00 0.00 61.98 62.97 1jhx s VAL 199 Cb 0.05 -4.07 0.03 0.00 0.00 0.00 0.00 36.38 32.39 1jhx s VAL 199 CO 0.07 -0.23 0.29 0.61 0.00 0.00 0.00 175.10 175.83 1jhx n GLY 200 N 4.43 2.44 0.01 4.51 0.00 -1.26 -4.85 105.19 110.47 1jhx n GLY 200 Ca 0.01 -2.21 0.14 0.00 0.00 0.00 0.00 46.02 43.96 1jhx n GLY 200 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1jhx n ILE 201 N -1.36 0.00 -0.17 -0.61 5.41 -1.26 -4.97 119.36 116.40 1jhx n ILE 201 Ca 0.03 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.78 1jhx n ILE 201 Cb 0.30 -0.40 0.00 0.00 -0.71 0.00 0.00 39.64 38.83 1jhx n ILE 201 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1jhx n GLY 202 N 1.42 3.14 3.28 7.39 0.00 -1.26 -0.04 105.19 119.12 1jhx n GLY 202 Ca 0.09 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1jhx n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jhx n ALA 203 N 9.82 4.32 -3.64 4.61 0.00 -1.26 -4.51 120.51 129.85 1jhx n ALA 203 Ca 0.00 -4.15 -0.24 0.00 0.00 0.00 0.00 53.44 49.04 1jhx n ALA 203 Cb 0.00 -3.19 0.07 0.00 0.00 0.00 0.00 19.45 16.33 1jhx n ALA 203 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jhx n ASN 204 N 5.80 -5.69 -4.72 0.00 3.02 -1.19 -4.65 115.26 107.82 1jhx n ASN 204 Ca 0.41 -0.59 -0.42 0.00 -0.03 0.00 0.00 54.58 53.95 1jhx n ASN 204 Cb 0.41 -4.84 -0.03 0.00 -0.61 0.00 0.00 39.78 34.71 1jhx n ASN 204 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1jhx s LEU 205 N -7.22 4.38 0.40 3.41 2.96 0.95 -4.89 118.68 118.66 1jhx s LEU 205 Ca 0.54 2.45 -0.27 0.00 -0.22 0.00 0.00 54.13 56.63 1jhx s LEU 205 Cb -0.24 -3.60 -0.10 0.00 0.50 0.00 0.00 46.19 42.75 1jhx s LEU 205 CO 0.75 -0.68 1.47 -2.84 -1.32 0.00 0.00 176.35 173.73 1jhx s PRO 206 N 0.76 3.96 0.51 0.98 0.02 -1.26 -4.84 135.00 135.12 1jhx s PRO 206 Ca 0.64 2.54 0.24 0.00 0.02 0.00 0.00 61.00 64.44 1jhx s PRO 206 Cb -0.39 -2.86 1.33 0.00 0.02 0.00 0.00 34.50 32.60 1jhx s PRO 206 CO 0.33 -0.64 1.96 -1.00 -0.33 0.00 0.00 177.00 177.32 1jhx h PRO 207 N 2.77 0.09 -0.17 5.54 0.13 -1.99 -0.87 132.00 137.50 1jhx h PRO 207 Ca -0.51 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1jhx h PRO 207 Cb 1.25 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1jhx h PRO 207 CO 0.63 0.06 0.11 0.66 -0.23 0.00 0.00 178.00 179.23 1jhx h SER 208 N 0.10 0.19 0.19 1.44 4.64 -2.03 -2.67 113.55 115.41 1jhx h SER 208 Ca 0.31 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1jhx h SER 208 Cb 1.08 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1jhx h SER 208 CO -0.03 0.15 0.00 0.54 -0.87 0.00 0.00 176.83 176.62 1jhx n ARG 209 N -4.97 0.08 0.01 4.77 1.74 -0.34 -3.50 116.66 114.45 1jhx n ARG 209 Ca -0.04 0.51 -0.10 0.00 -0.77 0.00 0.00 57.85 57.45 1jhx n ARG 209 Cb 0.03 -1.74 -0.03 0.00 -1.02 0.00 0.00 32.46 29.70 1jhx n ARG 209 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1jhx h ILE 210 N 0.00 0.55 -0.88 0.55 1.08 -1.43 -2.61 117.51 114.76 1jhx h ILE 210 Ca 0.00 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 64.68 1jhx h ILE 210 Cb 0.09 0.55 -0.16 0.00 -3.07 0.00 0.00 36.82 34.23 1jhx h ILE 210 CO 0.00 0.00 -0.06 0.44 -0.69 0.00 0.00 178.15 177.84 1jhx h ASP 211 N -0.23 -0.54 -0.75 1.72 3.45 -1.78 0.35 116.42 118.63 1jhx h ASP 211 Ca 0.09 0.25 -0.01 0.00 0.43 0.00 0.00 57.03 57.79 1jhx h ASP 211 Cb 0.36 0.46 -0.04 0.00 -0.56 0.00 0.00 39.33 39.55 1jhx h ASP 211 CO -0.25 -0.27 0.44 -1.13 -1.57 0.00 0.00 179.24 176.46 1jhx h ASN 212 N 0.04 0.92 -0.70 6.45 -1.24 -1.73 -1.44 115.58 117.87 1jhx h ASN 212 Ca 0.48 -0.07 0.07 0.00 0.71 0.00 0.00 56.30 57.49 1jhx h ASN 212 Cb 0.87 -0.23 -0.06 0.00 0.73 0.00 0.00 38.32 39.63 1jhx h ASN 212 CO -0.83 0.72 0.39 0.50 -1.29 0.00 0.00 177.43 176.92 1jhx h LYS 213 N 1.03 0.69 -0.50 6.67 3.64 -0.15 0.32 116.57 128.26 1jhx h LYS 213 Ca 0.27 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.58 1jhx h LYS 213 Cb -0.02 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 1jhx h LYS 213 CO -0.05 0.45 0.21 0.28 -2.27 0.00 0.00 179.45 178.08 1jhx h VAL 214 N 0.71 1.21 -0.58 2.00 2.07 -0.81 -1.49 116.25 119.35 1jhx h VAL 214 Ca 0.32 -0.63 0.02 0.00 0.82 0.00 0.00 66.70 67.23 1jhx h VAL 214 Cb 0.22 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 1jhx h VAL 214 CO -0.20 0.24 0.36 0.44 0.02 0.00 0.00 177.57 178.43 1jhx h ASP 215 N 0.67 0.60 -0.48 0.57 3.32 -0.67 -1.64 116.42 118.79 1jhx h ASP 215 Ca 0.17 -0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.23 1jhx h ASP 215 Cb 0.18 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 1jhx h ASP 215 CO -0.02 0.42 0.30 0.58 -1.72 0.00 0.00 179.24 178.80 1jhx h VAL 216 N 0.72 1.07 -0.58 -1.35 2.07 -0.60 -1.04 116.25 116.55 1jhx h VAL 216 Ca 0.23 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 1jhx h VAL 216 Cb -0.00 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 1jhx h VAL 216 CO -0.09 0.11 0.32 0.58 0.02 0.00 0.00 177.57 178.51 1jhx h VAL 217 N 0.60 1.19 -0.23 2.57 2.07 -0.85 -1.42 116.25 120.18 1jhx h VAL 217 Ca 0.19 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1jhx h VAL 217 Cb -0.01 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1jhx h VAL 217 CO -0.07 0.20 0.14 0.03 0.02 0.00 0.00 177.57 177.89 1jhx h ARG 218 N 0.78 0.31 -0.88 1.57 3.08 -0.99 -2.20 114.38 116.05 1jhx h ARG 218 Ca 0.20 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.23 1jhx h ARG 218 Cb 0.04 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 1jhx h ARG 218 CO -0.03 0.25 0.57 0.00 -1.07 0.00 0.00 179.97 179.68 1jhx h ARG 219 N 0.28 1.16 -0.56 0.04 3.08 -1.03 0.16 114.38 117.52 1jhx h ARG 219 Ca 0.08 -0.08 0.06 0.00 0.07 0.00 0.00 59.98 60.11 1jhx h ARG 219 Cb 0.01 -0.26 -0.05 0.00 0.08 0.00 0.00 29.97 29.75 1jhx h ARG 219 CO -0.02 0.78 0.27 0.00 -1.07 0.00 0.00 179.97 179.93 1jhx h ALA 220 N 1.31 0.73 -0.13 0.04 0.00 -0.96 0.89 119.26 121.14 1jhx h ALA 220 Ca 0.32 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 1jhx h ALA 220 Cb -0.12 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1jhx h ALA 220 CO -0.07 -0.09 -0.08 0.82 0.00 0.00 0.00 179.25 179.83 1jhx h ILE 221 N 0.51 1.33 0.02 0.00 2.04 -0.78 -2.07 117.51 118.56 1jhx h ILE 221 Ca 0.26 -1.16 0.01 0.00 1.00 0.00 0.00 64.86 64.97 1jhx h ILE 221 Cb 0.20 1.81 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 1jhx h ILE 221 CO -0.20 0.34 -0.10 0.00 0.00 0.00 0.00 178.15 178.18 1jhx h ALA 222 N 0.64 -0.14 -0.46 1.87 0.00 -0.38 0.27 119.26 121.07 1jhx h ALA 222 Ca 0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1jhx h ALA 222 Cb 0.57 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1jhx h ALA 222 CO 0.02 -0.61 0.20 0.82 0.00 0.00 0.00 179.25 179.69 1jhx h ILE 223 N -0.19 1.19 0.00 0.00 2.04 -0.90 -3.28 117.51 116.37 1jhx h ILE 223 Ca 0.03 -0.57 -0.22 0.00 1.00 0.00 0.00 64.86 65.10 1jhx h ILE 223 Cb 0.23 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 1jhx h ILE 223 CO -0.09 0.22 -1.32 0.78 0.00 0.00 0.00 178.15 177.74 1jhx h ASN 224 N 0.59 0.00 -6.03 1.72 2.35 -1.26 -3.49 115.58 109.46 1jhx h ASN 224 Ca 0.15 0.00 -0.39 0.00 -0.55 0.00 0.00 56.30 55.51 1jhx h ASN 224 Cb 0.15 0.00 0.10 0.00 0.05 0.00 0.00 38.32 38.62 1jhx h ASN 224 CO -0.02 0.83 -0.89 0.00 -1.65 0.00 0.00 177.43 175.70 1jhx n GLN 225 N -3.10 -2.48 -2.29 0.81 1.13 0.95 -4.89 117.38 107.52 1jhx n GLN 225 Ca -0.09 0.59 -0.37 0.00 -1.94 0.00 0.00 57.00 55.18 1jhx n GLN 225 Cb 0.93 -4.79 -0.02 0.00 0.11 0.00 0.00 30.24 26.48 1jhx n GLN 225 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1jhx s PRO 226 N -5.65 3.89 -0.42 -1.09 0.04 -1.26 -4.97 135.00 125.54 1jhx s PRO 226 Ca 0.33 1.78 -0.19 0.00 0.04 0.00 0.00 61.00 62.96 1jhx s PRO 226 Cb -0.09 -2.51 0.02 0.00 0.04 0.00 0.00 34.50 31.95 1jhx s PRO 226 CO 0.82 -0.44 0.56 1.21 0.04 0.00 0.00 177.00 179.19 1jhx s ASN 227 N -1.29 6.28 0.55 6.66 2.47 -1.26 -4.92 114.94 123.43 1jhx s ASN 227 Ca 0.61 -0.38 0.26 0.00 0.42 0.00 0.00 52.86 53.76 1jhx s ASN 227 Cb -0.29 -2.28 1.46 0.00 -1.45 0.00 0.00 41.25 38.69 1jhx s ASN 227 CO 0.36 -0.67 2.02 -0.65 -3.72 0.00 0.00 177.10 174.44 1jhx h PRO 228 N 8.76 0.00 -0.00 0.43 0.11 -1.93 0.23 132.00 139.59 1jhx h PRO 228 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1jhx h PRO 228 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1jhx h PRO 228 CO 0.84 0.00 -0.08 0.54 -0.21 0.00 0.00 178.00 179.09 1jhx n ARG 229 N -4.18 0.65 -3.95 1.05 3.00 -1.26 -4.48 116.66 107.49 1jhx n ARG 229 Ca 0.07 -0.18 -0.30 0.00 -0.01 0.00 0.00 57.85 57.42 1jhx n ARG 229 Cb 0.51 -1.50 -0.14 0.00 0.00 0.00 0.00 32.46 31.33 1jhx n ARG 229 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1jhx s ASP 230 N -2.47 4.39 0.37 0.55 -1.08 0.81 -4.97 116.67 114.28 1jhx s ASP 230 Ca 0.30 -2.75 0.10 0.00 -0.52 0.00 0.00 52.55 49.68 1jhx s ASP 230 Cb 0.20 -1.59 0.86 0.00 -1.46 0.00 0.00 42.92 40.93 1jhx s ASP 230 CO 0.47 -0.28 1.90 1.23 0.52 0.00 0.00 175.17 179.01 1jhx h GLY 231 N 6.83 1.02 1.80 2.66 0.00 -1.79 0.17 103.07 113.76 1jhx h GLY 231 Ca -0.07 -0.27 -0.15 0.00 0.00 0.00 0.00 47.33 46.84 1jhx h GLY 231 CO 0.63 0.12 -0.64 -2.22 0.00 0.00 0.00 176.54 174.42 1jhx h ILE 232 N 0.64 1.41 -0.02 2.60 2.04 -1.92 -1.32 117.51 120.94 1jhx h ILE 232 Ca 0.40 -2.09 -0.00 0.00 1.00 0.00 0.00 64.86 64.16 1jhx h ILE 232 Cb 0.64 2.09 -0.00 0.00 -0.74 0.00 0.00 36.82 38.81 1jhx h ILE 232 CO -0.16 0.61 0.01 -0.78 0.00 0.00 0.00 178.15 177.84 1jhx h ASP 233 N 0.14 0.03 0.11 1.72 1.82 -1.04 -1.69 116.42 117.51 1jhx h ASP 233 Ca -0.01 -0.09 -0.01 0.00 -0.39 0.00 0.00 57.03 56.54 1jhx h ASP 233 Cb 1.16 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 41.17 1jhx h ASP 233 CO 0.10 0.11 -0.05 0.58 -1.61 0.00 0.00 179.24 178.36 1jhx h VAL 234 N -0.05 0.93 -0.65 2.25 2.07 -1.02 -2.23 116.25 117.55 1jhx h VAL 234 Ca 0.01 -0.14 0.09 0.00 0.82 0.00 0.00 66.70 67.48 1jhx h VAL 234 Cb 0.08 1.02 -0.07 0.00 -1.52 0.00 0.00 31.29 30.80 1jhx h VAL 234 CO -0.00 0.03 0.28 -0.07 0.02 0.00 0.00 177.57 177.83 1jhx h LEU 235 N -0.21 0.32 -0.67 2.57 3.38 -1.18 0.21 115.31 119.74 1jhx h LEU 235 Ca -0.02 0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 1jhx h LEU 235 Cb 0.17 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1jhx h LEU 235 CO 0.02 0.18 -0.38 0.77 0.09 0.00 0.00 178.44 179.13 1jhx h SER 236 N 0.48 0.64 0.00 -0.43 4.64 -1.18 -0.84 113.55 116.86 1jhx h SER 236 Ca 0.32 -0.28 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 1jhx h SER 236 Cb 0.38 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1jhx h SER 236 CO -0.29 0.95 -0.15 0.11 -0.87 0.00 0.00 176.83 176.59 1jhx h LYS 237 N 0.50 0.00 -0.11 4.77 1.57 -1.10 -0.89 116.57 121.32 1jhx h LYS 237 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1jhx h LYS 237 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.19 1jhx h LYS 237 CO 0.08 0.59 0.00 0.28 -0.57 0.00 0.00 179.45 179.82 1jhx n VAL 238 N -4.65 1.26 -0.29 0.50 0.31 0.04 -1.53 118.33 113.96 1jhx n VAL 238 Ca -0.08 -1.28 0.00 0.00 -0.01 0.00 0.00 64.34 62.96 1jhx n VAL 238 Cb 0.32 0.31 0.00 0.00 -0.91 0.00 0.00 33.84 33.56 1jhx n VAL 238 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jhx n GLY 239 N -0.40 1.86 3.77 2.92 0.00 -0.32 -4.56 105.19 108.46 1jhx n GLY 239 Ca 0.07 -1.78 -0.06 0.00 0.00 0.00 0.00 46.02 44.25 1jhx n GLY 239 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jhx s GLY 240 N 0.00 -0.20 0.25 -0.02 0.00 -1.25 -4.76 107.32 101.35 1jhx s GLY 240 Ca 0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 44.72 44.61 1jhx s GLY 240 CO 0.00 -0.02 1.92 0.74 0.00 0.00 0.00 173.10 175.74 1jhx h PHE 241 N 2.00 1.25 -0.44 1.90 0.05 -1.89 -0.14 116.94 119.66 1jhx h PHE 241 Ca -0.22 0.03 -0.02 0.00 3.82 0.00 0.00 57.97 61.58 1jhx h PHE 241 Cb 1.25 -0.42 -0.02 0.00 2.00 0.00 0.00 35.95 38.76 1jhx h PHE 241 CO 0.39 0.77 0.18 0.38 -0.18 0.00 0.00 178.31 179.86 1jhx h ASP 242 N 1.34 0.61 -0.54 2.17 -0.00 -1.87 0.55 116.42 118.67 1jhx h ASP 242 Ca 0.37 -0.16 -0.01 0.00 -0.00 0.00 0.00 57.03 57.23 1jhx h ASP 242 Cb -0.13 -0.16 -0.03 0.00 -0.00 0.00 0.00 39.33 39.02 1jhx h ASP 242 CO -0.09 0.61 0.32 -0.07 -0.00 0.00 0.00 179.24 180.01 1jhx h LEU 243 N 0.57 0.66 0.16 0.15 -0.00 -1.83 -0.72 115.31 114.30 1jhx h LEU 243 Ca 0.15 -0.07 -0.00 0.00 -0.00 0.00 0.00 57.88 57.96 1jhx h LEU 243 Cb 0.18 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 40.67 1jhx h LEU 243 CO -0.01 0.53 -0.13 0.58 -0.00 0.00 0.00 178.44 179.41 1jhx h VAL 244 N 0.73 0.72 -0.63 1.22 2.07 -0.78 -1.87 116.25 117.70 1jhx h VAL 244 Ca 0.19 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.80 1jhx h VAL 244 Cb 0.00 0.72 -0.07 0.00 -1.52 0.00 0.00 31.29 30.43 1jhx h VAL 244 CO -0.03 0.00 0.29 1.23 0.02 0.00 0.00 177.57 179.08 1jhx h GLY 245 N -0.30 0.92 0.90 2.17 0.00 -0.52 -0.93 103.07 105.32 1jhx h GLY 245 Ca -0.01 -0.18 0.02 0.00 0.00 0.00 0.00 47.33 47.17 1jhx h GLY 245 CO -0.01 0.05 0.41 -0.33 0.00 0.00 0.00 176.54 176.66 1jhx h MET 246 N 0.52 0.79 -0.66 4.80 2.07 -0.93 -0.74 114.93 120.79 1jhx h MET 246 Ca 0.31 -0.05 0.03 0.00 -2.07 0.00 0.00 59.70 57.92 1jhx h MET 246 Cb 0.32 -0.18 -0.04 0.00 -1.87 0.00 0.00 31.60 29.83 1jhx h MET 246 CO -0.26 0.52 0.40 1.15 1.07 0.00 0.00 176.91 179.80 1jhx h THR 247 N 0.82 1.08 -0.28 2.22 2.02 -0.71 -2.04 112.91 116.02 1jhx h THR 247 Ca 0.26 -0.27 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 1jhx h THR 247 Cb -0.01 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.60 1jhx h THR 247 CO -0.09 0.14 0.06 1.23 0.37 0.00 0.00 175.52 177.23 1jhx h GLY 248 N 0.79 0.43 1.00 2.16 0.00 -0.31 -0.37 103.07 106.77 1jhx h GLY 248 Ca 0.27 -0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.33 1jhx h GLY 248 CO -0.11 0.20 0.11 -2.08 0.00 0.00 0.00 176.54 174.66 1jhx h VAL 249 N 0.40 1.25 -0.53 4.60 2.07 -0.47 -0.05 116.25 123.51 1jhx h VAL 249 Ca 0.10 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.66 1jhx h VAL 249 Cb 0.17 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1jhx h VAL 249 CO -0.00 0.34 0.21 0.24 0.02 0.00 0.00 177.57 178.37 1jhx h MET 250 N 0.79 0.79 -0.39 1.57 2.86 -0.94 -0.00 114.93 119.60 1jhx h MET 250 Ca 0.17 -0.15 -0.13 0.00 -2.06 0.00 0.00 59.70 57.53 1jhx h MET 250 Cb 0.38 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 1jhx h MET 250 CO 0.01 0.70 -0.29 -0.07 1.06 0.00 0.00 176.91 178.31 1jhx h LEU 251 N 0.71 0.88 -0.30 1.22 3.38 -0.90 -2.48 115.31 117.81 1jhx h LEU 251 Ca 0.18 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1jhx h LEU 251 Cb 0.20 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1jhx h LEU 251 CO -0.01 1.10 0.11 1.23 0.09 0.00 0.00 178.44 180.96 1jhx h GLY 252 N 0.91 0.50 1.03 0.83 0.00 -0.69 -1.20 103.07 104.44 1jhx h GLY 252 Ca 0.08 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 1jhx h GLY 252 CO 0.07 0.26 0.23 0.00 0.00 0.00 0.00 176.54 177.11 1jhx h ALA 253 N 0.95 0.89 -0.23 3.60 0.00 -1.01 -1.64 119.26 121.81 1jhx h ALA 253 Ca 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1jhx h ALA 253 Cb 0.21 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1jhx h ALA 253 CO -0.01 0.55 0.09 0.00 0.00 0.00 0.00 179.25 179.88 1jhx h ALA 254 N 1.10 0.30 -0.95 0.00 0.00 -1.35 0.49 119.26 118.86 1jhx h ALA 254 Ca 0.22 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1jhx h ALA 254 Cb 0.27 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1jhx h ALA 254 CO -0.01 -0.10 0.62 -0.09 0.00 0.00 0.00 179.25 179.67 1jhx h ARG 255 N 0.22 1.08 0.00 0.00 9.65 -1.05 0.16 114.38 124.45 1jhx h ARG 255 Ca 0.08 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 1jhx h ARG 255 Cb 0.18 -0.24 0.00 0.00 -1.39 0.00 0.00 29.97 28.52 1jhx h ARG 255 CO -0.01 0.72 0.00 0.00 2.80 0.00 0.00 179.97 183.48 1jhx n GLY 257 N 0.97 -0.18 3.49 0.00 0.00 0.56 -4.11 105.19 105.92 1jhx n GLY 257 Ca 0.18 -0.21 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 1jhx n GLY 257 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jhx s LEU 258 N -4.49 2.65 0.35 0.99 1.43 0.15 -1.35 118.68 118.41 1jhx s LEU 258 Ca 0.12 -0.91 -0.22 0.00 -1.03 0.00 0.00 54.13 52.09 1jhx s LEU 258 Cb -0.05 -1.23 -0.10 0.00 0.03 0.00 0.00 46.19 44.84 1jhx s LEU 258 CO 0.15 0.06 0.89 -2.16 0.23 0.00 0.00 176.35 175.53 1jhx s PRO 259 N -3.27 4.33 -0.08 1.29 0.04 -1.26 -4.06 135.00 131.99 1jhx s PRO 259 Ca 0.27 1.10 0.01 0.00 0.04 0.00 0.00 61.00 62.43 1jhx s PRO 259 Cb -0.06 -2.52 0.02 0.00 0.04 0.00 0.00 34.50 31.98 1jhx s PRO 259 CO 0.14 0.16 -0.10 0.08 0.04 0.00 0.00 177.00 177.31 1jhx s VAL 260 N -1.88 1.07 -0.15 -0.36 1.01 -0.80 -1.79 120.40 117.49 1jhx s VAL 260 Ca 0.54 -0.40 -0.19 0.00 0.00 0.00 0.00 61.98 61.93 1jhx s VAL 260 Cb -0.13 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 1jhx s VAL 260 CO 0.18 0.35 0.55 -0.76 0.00 0.00 0.00 175.10 175.42 1jhx s LEU 261 N 0.99 4.21 0.93 3.92 1.43 0.65 -1.20 118.68 129.61 1jhx s LEU 261 Ca -0.08 0.81 -0.12 0.00 -1.03 0.00 0.00 54.13 53.71 1jhx s LEU 261 Cb -0.15 -2.78 0.15 0.00 0.03 0.00 0.00 46.19 43.44 1jhx s LEU 261 CO -0.00 -0.12 1.12 -0.76 0.23 0.00 0.00 176.35 176.81 1jhx s LEU 262 N 1.22 1.92 0.00 1.79 1.43 0.08 -2.76 118.68 122.36 1jhx s LEU 262 Ca 0.27 1.07 0.00 0.00 -1.03 0.00 0.00 54.13 54.44 1jhx s LEU 262 Cb -0.16 -3.37 0.00 0.00 0.03 0.00 0.00 46.19 42.69 1jhx s LEU 262 CO 0.11 -2.71 0.00 -0.67 0.23 0.00 0.00 176.35 173.31 1jhx n ASP 263 N -3.88 0.00 0.00 2.29 2.03 -1.26 -3.90 116.55 111.83 1jhx n ASP 263 Ca 0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.37 1jhx n ASP 263 Cb 0.58 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 1jhx n ASP 263 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jhx n GLY 264 N 5.00 3.55 0.24 0.27 0.00 -1.26 -4.19 105.19 108.80 1jhx n GLY 264 Ca 0.00 -1.83 -0.04 0.00 0.00 0.00 0.00 46.02 44.15 1jhx n GLY 264 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1jhx h PHE 265 N 0.00 -0.41 -0.71 1.61 -0.00 -1.94 -0.06 116.94 115.43 1jhx h PHE 265 Ca 0.00 0.05 0.05 0.00 -0.00 0.00 0.00 57.97 58.07 1jhx h PHE 265 Cb 0.00 0.26 -0.05 0.00 -0.00 0.00 0.00 35.95 36.15 1jhx h PHE 265 CO 0.00 -0.26 0.41 -0.07 -0.00 0.00 0.00 178.31 178.39 1jhx h LEU 266 N -0.06 0.63 -0.98 0.59 -0.00 -1.96 -1.65 115.31 111.89 1jhx h LEU 266 Ca 0.23 0.02 -0.10 0.00 -0.00 0.00 0.00 57.88 58.04 1jhx h LEU 266 Cb 0.42 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 40.96 1jhx h LEU 266 CO -0.53 0.41 -0.30 0.77 -0.00 0.00 0.00 178.44 178.78 1jhx h SER 267 N 0.76 0.38 -0.73 -0.43 4.64 -1.60 -2.43 113.55 114.13 1jhx h SER 267 Ca 0.31 -0.13 -0.05 0.00 -0.47 0.00 0.00 61.79 61.44 1jhx h SER 267 Cb 0.16 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.11 1jhx h SER 267 CO -0.17 0.67 0.26 1.88 -0.87 0.00 0.00 176.83 178.60 1jhx h TYR 268 N 0.33 1.15 -0.34 4.77 0.99 -0.30 -0.04 116.97 123.53 1jhx h TYR 268 Ca 0.04 -0.10 0.04 0.00 2.00 0.00 0.00 58.73 60.71 1jhx h TYR 268 Cb 0.70 -0.34 -0.04 0.00 1.00 0.00 0.00 36.73 38.05 1jhx h TYR 268 CO 0.02 0.90 0.10 0.77 -0.00 0.00 0.00 178.16 179.95 1jhx h SER 269 N 1.07 0.09 -0.23 3.88 0.02 -0.94 -1.09 113.55 116.36 1jhx h SER 269 Ca 0.24 0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 61.18 1jhx h SER 269 Cb 0.26 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 1jhx h SER 269 CO -0.01 0.09 -0.01 0.00 -1.14 0.00 0.00 176.83 175.75 1jhx h ALA 270 N 1.23 1.35 -0.26 3.77 0.00 -1.11 -2.65 119.26 121.59 1jhx h ALA 270 Ca 0.15 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 1jhx h ALA 270 Cb 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1jhx h ALA 270 CO -0.17 0.45 -0.44 0.00 0.00 0.00 0.00 179.25 179.08 1jhx h ALA 271 N 1.49 0.74 -0.66 0.00 0.00 -0.27 -1.11 119.26 119.46 1jhx h ALA 271 Ca 0.11 -0.46 0.02 0.00 0.00 0.00 0.00 54.91 54.57 1jhx h ALA 271 Cb 0.34 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1jhx h ALA 271 CO 0.01 0.66 0.42 -0.07 0.00 0.00 0.00 179.25 180.28 1jhx h LEU 272 N 0.53 0.71 -0.15 0.00 3.38 -0.89 0.42 115.31 119.31 1jhx h LEU 272 Ca 0.04 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1jhx h LEU 272 Cb 0.97 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1jhx h LEU 272 CO 0.09 0.51 0.07 0.00 0.09 0.00 0.00 178.44 179.20 1jhx h ALA 273 N 1.26 0.20 -0.77 1.53 0.00 -1.33 -0.72 119.26 119.43 1jhx h ALA 273 Ca 0.25 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1jhx h ALA 273 Cb -0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1jhx h ALA 273 CO -0.08 -0.24 0.51 0.00 0.00 0.00 0.00 179.25 179.44 1jhx h ALA 274 N 0.94 0.98 0.00 0.00 0.00 -0.79 -0.11 119.26 120.28 1jhx h ALA 274 Ca 0.05 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1jhx h ALA 274 Cb 0.12 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1jhx h ALA 274 CO -0.01 0.39 -0.31 0.00 0.00 0.00 0.00 179.25 179.32 1jhx h GLN 276 N 0.00 0.58 -0.05 0.00 5.75 -0.36 -2.79 115.11 118.23 1jhx h GLN 276 Ca -0.00 -0.50 -0.24 0.00 -0.15 0.00 0.00 58.65 57.75 1jhx h GLN 276 Cb 0.71 0.11 0.01 0.00 1.07 0.00 0.00 27.48 29.38 1jhx h GLN 276 CO 0.04 1.12 -0.94 0.82 -2.65 0.00 0.00 178.83 177.23 1jhx h ILE 277 N 0.38 1.30 -1.66 2.39 2.04 -0.63 -3.44 117.51 117.90 1jhx h ILE 277 Ca -0.05 -2.20 -0.16 0.00 1.00 0.00 0.00 64.86 63.44 1jhx h ILE 277 Cb 1.41 2.26 -0.28 0.00 -0.74 0.00 0.00 36.82 39.47 1jhx h ILE 277 CO 0.15 0.68 -0.51 0.00 0.00 0.00 0.00 178.15 178.47 1jhx s ALA 278 N -3.44 -1.30 0.56 1.87 0.00 0.61 -5.01 121.76 115.05 1jhx s ALA 278 Ca -0.09 0.38 0.25 0.00 0.00 0.00 0.00 51.96 52.51 1jhx s ALA 278 Cb 0.08 -2.08 1.64 0.00 0.00 0.00 0.00 23.12 22.76 1jhx s ALA 278 CO 0.90 -1.70 2.21 -1.35 0.00 0.00 0.00 175.76 175.83 1jhx h PRO 279 N 8.15 0.00 0.00 0.00 0.11 -1.70 -0.61 132.00 137.95 1jhx h PRO 279 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1jhx h PRO 279 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1jhx h PRO 279 CO 0.26 0.01 0.01 0.00 -0.21 0.00 0.00 178.00 178.07 1jhx n ALA 280 N -2.39 1.02 0.08 -0.75 0.00 -1.26 -1.89 120.51 115.32 1jhx n ALA 280 Ca -0.03 0.16 -0.06 0.00 0.00 0.00 0.00 53.44 53.51 1jhx n ALA 280 Cb 0.09 -1.24 0.08 0.00 0.00 0.00 0.00 19.45 18.39 1jhx n ALA 280 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1jhx h VAL 281 N 0.00 1.40 -0.73 0.00 2.07 -1.42 -3.39 116.25 114.20 1jhx h VAL 281 Ca 0.00 -2.11 0.12 0.00 0.82 0.00 0.00 66.70 65.53 1jhx h VAL 281 Cb 0.03 2.09 -0.13 0.00 -1.52 0.00 0.00 31.29 31.76 1jhx h VAL 281 CO 0.00 0.62 -0.33 -0.09 0.02 0.00 0.00 177.57 177.79 1jhx h ARG 282 N 0.18 -0.10 0.00 1.57 9.65 -1.57 -0.65 114.38 123.46 1jhx h ARG 282 Ca -0.02 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1jhx h ARG 282 Cb 1.21 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.81 1jhx h ARG 282 CO 0.11 -0.06 0.00 -0.35 2.80 0.00 0.00 179.97 182.46 1jhx n PRO 283 N -5.45 0.07 0.06 0.20 -0.05 -1.26 -1.56 135.00 127.00 1jhx n PRO 283 Ca 0.07 0.53 0.12 0.00 -0.05 0.00 0.00 63.50 64.16 1jhx n PRO 283 Cb 0.37 -1.72 0.13 0.00 -0.05 0.00 0.00 33.50 32.23 1jhx n PRO 283 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 175.50 177.33 1jhx h TYR 284 N 0.00 0.00 -3.60 0.54 0.05 -1.38 -3.47 116.97 109.11 1jhx h TYR 284 Ca 0.00 0.00 -0.51 0.00 0.05 0.00 0.00 58.73 58.27 1jhx h TYR 284 Cb 0.05 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.77 1jhx h TYR 284 CO 0.00 0.00 0.24 -0.51 -1.05 0.00 0.00 178.16 176.84 1jhx s LEU 285 N -4.26 4.61 -0.09 3.88 1.43 -0.60 -1.91 118.68 121.74 1jhx s LEU 285 Ca 0.05 1.75 -0.00 0.00 -1.03 0.00 0.00 54.13 54.89 1jhx s LEU 285 Cb 0.13 -3.40 0.02 0.00 0.03 0.00 0.00 46.19 42.97 1jhx s LEU 285 CO 0.74 0.19 -0.06 -0.63 0.23 0.00 0.00 176.35 176.82 1jhx s ILE 286 N -1.13 0.81 0.70 -0.59 1.01 -0.34 -4.95 121.20 116.72 1jhx s ILE 286 Ca 0.38 -0.17 -0.12 0.00 0.00 0.00 0.00 60.65 60.73 1jhx s ILE 286 Cb -0.24 -0.86 0.02 0.00 0.01 0.00 0.00 42.46 41.39 1jhx s ILE 286 CO 0.28 0.33 1.08 -2.16 0.00 0.00 0.00 174.94 174.47 1jhx s PRO 287 N 1.63 2.71 0.00 2.79 0.04 -1.26 -0.74 135.00 140.17 1jhx s PRO 287 Ca 0.02 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.21 1jhx s PRO 287 Cb -0.13 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1jhx s PRO 287 CO -0.06 -1.29 0.00 -1.13 0.04 0.00 0.00 177.00 174.56 1jhx n SER 288 N -2.99 0.00 -4.55 6.66 3.41 -1.25 -4.59 113.62 110.30 1jhx n SER 288 Ca 0.09 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.43 1jhx n SER 288 Cb 0.53 -0.04 -0.10 0.00 -0.26 0.00 0.00 64.21 64.34 1jhx n SER 288 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1jhx s HIS 289 N -0.24 2.17 -0.70 7.33 -3.43 -1.26 -1.89 115.29 117.28 1jhx s HIS 289 Ca 0.00 -0.86 -0.15 0.00 -0.80 0.00 0.00 55.06 53.25 1jhx s HIS 289 Cb 0.00 -1.55 0.18 0.00 -1.43 0.00 0.00 32.58 29.78 1jhx s HIS 289 CO 0.00 0.21 0.65 0.12 -2.00 0.00 0.00 174.74 173.73 1jhx s PHE 290 N -2.96 3.52 0.30 0.38 2.19 0.13 -4.79 117.98 116.75 1jhx s PHE 290 Ca 0.29 -1.66 -0.28 0.00 0.33 0.00 0.00 56.93 55.61 1jhx s PHE 290 Cb 0.07 -3.82 -0.13 0.00 -1.31 0.00 0.00 43.02 37.83 1jhx s PHE 290 CO 0.14 -1.02 1.10 0.45 1.83 0.00 0.00 175.22 177.73 1jhx n SER 291 N 4.61 1.77 0.00 6.13 2.88 -1.26 -4.32 113.62 123.42 1jhx n SER 291 Ca 0.01 1.19 0.06 0.00 -1.33 0.00 0.00 58.87 58.80 1jhx n SER 291 Cb 0.44 -1.35 0.34 0.00 -0.75 0.00 0.00 64.21 62.89 1jhx n SER 291 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jhx n ALA 292 N 0.28 2.36 -1.83 -1.46 0.00 -0.38 -4.74 120.51 114.74 1jhx n ALA 292 Ca 0.08 -0.07 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1jhx n ALA 292 Cb 0.33 -1.19 -0.04 0.00 0.00 0.00 0.00 19.45 18.55 1jhx n ALA 292 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1jhx s GLU 293 N -2.00 4.61 0.23 0.00 2.56 -1.26 -4.95 118.70 117.88 1jhx s GLU 293 Ca 0.17 1.82 -0.11 0.00 0.00 0.00 0.00 54.97 56.85 1jhx s GLU 293 Cb 0.08 -3.20 0.31 0.00 2.00 0.00 0.00 34.13 33.32 1jhx s GLU 293 CO 0.13 0.14 1.62 -0.22 -0.56 0.00 0.00 175.26 176.38 1jhx h LYS 294 N 4.12 0.02 0.00 4.30 3.64 -1.87 -1.70 116.57 125.08 1jhx h LYS 294 Ca -0.46 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1jhx h LYS 294 Cb 1.21 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1jhx h LYS 294 CO 0.68 0.01 0.00 0.41 -2.27 0.00 0.00 179.45 178.29 1jhx n GLY 295 N -1.46 -0.99 0.12 5.01 0.00 -1.24 -4.24 105.19 102.39 1jhx n GLY 295 Ca 0.10 -0.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 1jhx n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jhx h ALA 296 N 3.28 0.25 -0.71 4.61 0.00 -1.60 -2.47 119.26 122.61 1jhx h ALA 296 Ca 0.00 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.03 1jhx h ALA 296 Cb 0.00 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 1jhx h ALA 296 CO 0.00 -0.37 0.37 0.07 0.00 0.00 0.00 179.25 179.33 1jhx h ARG 297 N 0.15 0.63 0.07 0.00 0.11 -1.81 -0.60 114.38 112.93 1jhx h ARG 297 Ca 0.11 -0.04 -0.00 0.00 0.10 0.00 0.00 59.98 60.15 1jhx h ARG 297 Cb 0.10 -0.14 0.00 0.00 1.11 0.00 0.00 29.97 31.04 1jhx h ARG 297 CO -0.13 0.42 -0.03 0.82 0.10 0.00 0.00 179.97 181.14 1jhx h ILE 298 N 0.65 1.12 -0.63 0.08 2.04 -1.84 -1.02 117.51 117.92 1jhx h ILE 298 Ca 0.34 -0.66 0.08 0.00 1.00 0.00 0.00 64.86 65.62 1jhx h ILE 298 Cb 0.31 1.56 -0.06 0.00 -0.74 0.00 0.00 36.82 37.88 1jhx h ILE 298 CO -0.24 0.16 0.30 0.00 0.00 0.00 0.00 178.15 178.37 1jhx h ALA 299 N 0.52 0.83 -0.55 1.87 0.00 -1.21 -1.24 119.26 119.49 1jhx h ALA 299 Ca -0.01 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1jhx h ALA 299 Cb 0.34 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1jhx h ALA 299 CO 0.01 -0.08 0.03 -0.07 0.00 0.00 0.00 179.25 179.15 1jhx h LEU 300 N 0.54 0.87 -0.72 0.00 3.38 -1.05 -2.26 115.31 116.07 1jhx h LEU 300 Ca 0.30 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1jhx h LEU 300 Cb 0.28 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1jhx h LEU 300 CO -0.24 0.91 0.27 0.00 0.09 0.00 0.00 178.44 179.48 1jhx h ALA 301 N 1.18 0.94 0.00 1.53 0.00 -0.55 0.13 119.26 122.48 1jhx h ALA 301 Ca 0.16 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1jhx h ALA 301 Cb 0.46 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1jhx h ALA 301 CO 0.02 0.57 -0.27 0.45 0.00 0.00 0.00 179.25 180.02 1jhx h HIS 302 N 1.04 0.00 -0.00 0.00 3.86 -0.97 -1.62 115.15 117.46 1jhx h HIS 302 Ca 0.24 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 1jhx h HIS 302 Cb 0.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.71 1jhx h HIS 302 CO 0.02 0.27 -0.31 1.28 0.86 0.00 0.00 177.93 180.05 1jhx n LEU 303 N -3.76 0.55 -3.64 2.43 4.77 -0.60 -4.93 117.00 111.82 1jhx n LEU 303 Ca -0.01 0.01 -0.23 0.00 -0.03 0.00 0.00 56.01 55.75 1jhx n LEU 303 Cb 0.37 -0.24 0.06 0.00 -2.33 0.00 0.00 43.42 41.28 1jhx n LEU 303 CO 0.35 0.12 0.10 -1.20 -1.33 0.00 0.00 177.39 175.43 1jhx n SER 304 N -1.21 -3.53 -4.29 -1.43 7.64 0.33 -4.98 113.62 106.16 1jhx n SER 304 Ca 0.09 -0.68 -0.28 0.00 1.01 0.00 0.00 58.87 59.00 1jhx n SER 304 Cb 0.33 -4.59 -0.15 0.00 -1.01 0.00 0.00 64.21 58.79 1jhx n SER 304 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1jhx s MET 305 N -6.02 1.70 -0.29 1.43 1.00 -0.51 -5.04 119.30 111.57 1jhx s MET 305 Ca 0.29 -0.96 0.02 0.00 0.00 0.00 0.00 55.69 55.04 1jhx s MET 305 Cb -0.14 -1.78 0.08 0.00 0.00 0.00 0.00 34.83 33.00 1jhx s MET 305 CO 0.77 0.47 0.01 -1.83 0.00 0.00 0.00 175.02 174.43 1jhx s GLU 306 N -0.98 1.47 0.85 2.03 1.03 -1.26 -4.62 118.70 117.21 1jhx s GLU 306 Ca 0.09 -1.37 -0.12 0.00 0.03 0.00 0.00 54.97 53.60 1jhx s GLU 306 Cb -0.09 -2.74 0.11 0.00 -0.80 0.00 0.00 34.13 30.61 1jhx s GLU 306 CO 0.01 -0.79 1.19 -2.30 -1.33 0.00 0.00 175.26 172.03 1jhx n PRO 307 N 4.52 -0.05 0.09 -4.83 -0.02 -1.26 -4.92 135.00 128.53 1jhx n PRO 307 Ca -0.05 0.06 -0.19 0.00 -2.02 0.00 0.00 63.50 61.31 1jhx n PRO 307 Cb 0.43 -2.42 -0.15 0.00 -0.02 0.00 0.00 33.50 31.34 1jhx n PRO 307 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 1jhx h TYR 308 N -1.27 0.59 -3.36 6.00 0.05 -1.66 -3.47 116.97 113.85 1jhx h TYR 308 Ca -0.45 -0.43 -0.62 0.00 0.05 0.00 0.00 58.73 57.28 1jhx h TYR 308 Cb 1.29 -0.02 -0.16 0.00 1.01 0.00 0.00 36.73 38.85 1jhx h TYR 308 CO 0.48 1.41 -0.55 -0.51 -1.05 0.00 0.00 178.16 177.94 1jhx s LEU 309 N -7.18 3.87 -0.55 3.88 1.02 -0.79 -5.03 118.68 113.90 1jhx s LEU 309 Ca -0.08 0.08 -0.02 0.00 0.02 0.00 0.00 54.13 54.12 1jhx s LEU 309 Cb 0.06 -2.00 0.14 0.00 0.02 0.00 0.00 46.19 44.42 1jhx s LEU 309 CO 0.88 0.14 0.35 -1.00 0.02 0.00 0.00 176.35 176.75 1jhx s HIS 310 N 0.58 3.45 0.00 0.29 3.76 -1.26 -0.69 115.29 121.42 1jhx s HIS 310 Ca 0.04 -2.66 0.00 0.00 -0.15 0.00 0.00 55.06 52.29 1jhx s HIS 310 Cb -0.13 -3.18 0.00 0.00 1.11 0.00 0.00 32.58 30.38 1jhx s HIS 310 CO 0.01 -0.87 0.48 -1.33 -0.85 0.00 0.00 174.74 172.17 1jhx n MET 311 N 3.79 -0.55 -2.93 1.40 2.81 -1.26 -5.01 117.12 115.38 1jhx n MET 311 Ca 0.05 -0.51 -0.21 0.00 -1.81 0.00 0.00 57.70 55.22 1jhx n MET 311 Cb 0.38 -0.93 0.01 0.00 -0.71 0.00 0.00 33.22 31.98 1jhx n MET 311 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1jhx n ALA 312 N -0.04 -0.92 -1.98 3.04 0.00 -1.26 -4.96 120.51 114.39 1jhx n ALA 312 Ca 0.00 0.18 -0.32 0.00 0.00 0.00 0.00 53.44 53.30 1jhx n ALA 312 Cb 0.06 -2.91 -0.06 0.00 0.00 0.00 0.00 19.45 16.54 1jhx n ALA 312 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1jhx s MET 313 N -5.58 4.06 -0.01 0.00 -1.94 -1.26 -4.56 119.30 110.01 1jhx s MET 313 Ca 0.23 0.86 0.05 0.00 -1.71 0.00 0.00 55.69 55.12 1jhx s MET 313 Cb -0.11 -2.29 0.08 0.00 2.01 0.00 0.00 34.83 34.52 1jhx s MET 313 CO 0.29 0.01 1.04 2.89 -0.01 0.00 0.00 175.02 179.24 1jhx n ARG 314 N -0.73 0.04 0.12 2.03 1.85 -1.26 -1.24 116.66 117.47 1jhx n ARG 314 Ca 0.05 -1.18 -0.24 0.00 -1.00 0.00 0.00 57.85 55.48 1jhx n ARG 314 Cb 0.54 0.41 -0.16 0.00 -1.05 0.00 0.00 32.46 32.20 1jhx n ARG 314 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 1jhx h LEU 315 N 0.20 0.75 0.00 2.89 5.85 -1.98 -3.47 115.31 119.56 1jhx h LEU 315 Ca -0.51 -0.90 0.00 0.00 0.84 0.00 0.00 57.88 57.31 1jhx h LEU 315 Cb 1.49 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1jhx h LEU 315 CO -0.22 1.72 0.00 0.61 -0.34 0.00 0.00 178.44 180.21 1jhx n GLY 316 N 1.76 -0.12 3.86 3.75 0.00 -1.26 -4.96 105.19 108.21 1jhx n GLY 316 Ca -0.19 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1jhx n GLY 316 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jhx n GLU 317 N 1.16 0.00 -0.29 1.61 1.02 -0.89 -1.79 120.64 121.46 1jhx n GLU 317 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1jhx n GLU 317 Cb 0.00 -3.42 0.00 0.00 -0.02 0.00 0.00 31.44 28.00 1jhx n GLU 317 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jhx n GLY 318 N -2.00 0.85 0.36 0.62 0.00 -1.26 -4.39 105.19 99.37 1jhx n GLY 318 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 1jhx n GLY 318 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jhx h SER 319 N 0.00 1.13 -0.28 1.61 4.64 -1.69 -2.00 113.55 116.95 1jhx h SER 319 Ca 0.00 -0.10 -0.14 0.00 -0.47 0.00 0.00 61.79 61.08 1jhx h SER 319 Cb 0.00 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 61.79 1jhx h SER 319 CO 0.00 0.90 -0.32 1.23 -0.87 0.00 0.00 176.83 177.78 1jhx h GLY 320 N 1.26 0.87 0.82 -0.77 0.00 -1.91 -1.97 103.07 101.36 1jhx h GLY 320 Ca 0.32 -0.82 0.03 0.00 0.00 0.00 0.00 47.33 46.85 1jhx h GLY 320 CO -0.05 0.74 0.14 0.00 0.00 0.00 0.00 176.54 177.37 1jhx h ALA 321 N 0.96 0.36 -0.67 3.60 0.00 -1.60 -1.54 119.26 120.38 1jhx h ALA 321 Ca 0.07 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1jhx h ALA 321 Cb 0.86 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1jhx h ALA 321 CO 0.08 -0.25 0.35 0.00 0.00 0.00 0.00 179.25 179.42 1jhx h ALA 322 N 1.17 0.86 0.00 0.00 0.00 -1.23 -2.40 119.26 117.66 1jhx h ALA 322 Ca 0.13 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1jhx h ALA 322 Cb 0.07 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1jhx h ALA 322 CO -0.11 0.40 -0.14 1.25 0.00 0.00 0.00 179.25 180.65 1jhx h LEU 323 N 0.92 0.00 0.00 0.00 5.85 -0.98 -2.71 115.31 118.39 1jhx h LEU 323 Ca 0.23 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1jhx h LEU 323 Cb 0.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1jhx h LEU 323 CO -0.03 0.14 -0.37 0.00 -0.34 0.00 0.00 178.44 177.83 1jhx n ALA 324 N -2.50 2.85 -0.33 1.25 0.00 -0.61 -4.21 120.51 116.96 1jhx n ALA 324 Ca -0.03 -0.20 0.10 0.00 0.00 0.00 0.00 53.44 53.31 1jhx n ALA 324 Cb 0.21 -1.27 0.28 0.00 0.00 0.00 0.00 19.45 18.67 1jhx n ALA 324 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1jhx h MET 325 N 0.00 0.69 0.00 0.00 2.86 -1.28 0.81 114.93 118.01 1jhx h MET 325 Ca 0.00 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1jhx h MET 325 Cb 0.65 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.15 1jhx h MET 325 CO 0.00 0.46 -0.05 -1.35 1.06 0.00 0.00 176.91 177.03 1jhx h PRO 326 N 0.72 0.00 -0.27 -0.22 0.11 -1.78 -1.70 132.00 128.86 1jhx h PRO 326 Ca 0.53 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.56 1jhx h PRO 326 Cb 0.77 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 1jhx h PRO 326 CO -0.37 0.05 -0.12 0.82 -0.21 0.00 0.00 178.00 178.16 1jhx h ILE 327 N 0.00 1.30 -0.54 4.15 2.04 -1.10 -0.16 117.51 123.19 1jhx h ILE 327 Ca -0.00 -1.21 0.03 0.00 1.00 0.00 0.00 64.86 64.68 1jhx h ILE 327 Cb 0.11 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 1jhx h ILE 327 CO 0.01 0.38 0.32 0.58 0.00 0.00 0.00 178.15 179.43 1jhx h VAL 328 N 0.29 1.04 -0.39 1.67 2.07 -1.19 -1.23 116.25 118.51 1jhx h VAL 328 Ca 0.06 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 1jhx h VAL 328 Cb 0.63 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1jhx h VAL 328 CO 0.04 0.11 0.08 -0.33 0.02 0.00 0.00 177.57 177.49 1jhx h GLU 329 N 0.62 0.59 -0.61 1.57 5.08 -1.18 -2.58 114.58 118.07 1jhx h GLU 329 Ca 0.22 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1jhx h GLU 329 Cb 0.05 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1jhx h GLU 329 CO -0.11 0.56 0.40 0.00 -1.00 0.00 0.00 179.01 178.85 1jhx h ALA 330 N 1.52 0.77 -0.23 3.43 0.00 0.11 -0.61 119.26 124.25 1jhx h ALA 330 Ca 0.13 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1jhx h ALA 330 Cb 0.25 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1jhx h ALA 330 CO -0.00 0.21 -0.02 0.00 0.00 0.00 0.00 179.25 179.43 1jhx h ALA 331 N 1.22 1.55 -0.16 0.00 0.00 -0.95 -0.32 119.26 120.60 1jhx h ALA 331 Ca 0.22 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1jhx h ALA 331 Cb -0.09 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1jhx h ALA 331 CO -0.05 0.33 -0.51 0.00 0.00 0.00 0.00 179.25 179.02 1jhx h ALA 333 N 0.55 0.73 0.02 0.00 0.00 -0.78 0.08 119.26 119.85 1jhx h ALA 333 Ca -0.02 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1jhx h ALA 333 Cb 1.13 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1jhx h ALA 333 CO 0.11 0.16 -0.08 1.98 0.00 0.00 0.00 179.25 181.42 1jhx h MET 334 N 0.77 -0.14 -0.77 0.00 1.85 -1.07 0.68 114.93 116.26 1jhx h MET 334 Ca 0.21 0.01 0.04 0.00 -0.61 0.00 0.00 59.70 59.35 1jhx h MET 334 Cb -0.09 0.03 -0.05 0.00 0.43 0.00 0.00 31.60 31.92 1jhx h MET 334 CO -0.05 -0.09 0.48 0.35 -0.40 0.00 0.00 176.91 177.20 1jhx h PHE 335 N -0.15 0.89 0.00 1.39 3.57 -0.83 -2.81 116.94 119.01 1jhx h PHE 335 Ca 0.03 0.03 -0.25 0.00 3.53 0.00 0.00 57.97 61.31 1jhx h PHE 335 Cb 0.18 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 38.58 1jhx h PHE 335 CO -0.14 0.49 -1.85 0.72 -2.23 0.00 0.00 178.31 175.30 1jhx n HIS 336 N -4.64 0.59 0.69 0.41 8.25 -0.04 -4.60 115.22 115.88 1jhx n HIS 336 Ca 0.09 0.20 0.08 0.00 -0.26 0.00 0.00 57.72 57.84 1jhx n HIS 336 Cb 0.12 -1.03 -0.10 0.00 1.12 0.00 0.00 29.99 30.10 1jhx n HIS 336 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1jhx n ASN 337 N -2.82 0.82 -4.81 0.41 5.03 0.24 -4.97 115.26 109.14 1jhx n ASN 337 Ca -0.18 -0.79 -0.33 0.00 0.87 0.00 0.00 54.58 54.16 1jhx n ASN 337 Cb 0.97 1.09 -0.00 0.00 -1.02 0.00 0.00 39.78 40.81 1jhx n ASN 337 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 1jhx s MET 338 N -2.62 3.52 1.01 3.52 -1.94 -1.06 -5.04 119.30 116.68 1jhx s MET 338 Ca 0.05 1.13 -0.17 0.00 -1.71 0.00 0.00 55.69 54.99 1jhx s MET 338 Cb 0.12 -2.07 0.23 0.00 2.01 0.00 0.00 34.83 35.12 1jhx s MET 338 CO 0.68 -0.64 1.33 0.20 -0.01 0.00 0.00 175.02 176.58 1jhx s GLY 339 N -2.85 1.80 0.01 -0.03 0.00 -1.26 -4.88 107.32 100.11 1jhx s GLY 339 Ca 0.62 -1.29 0.06 0.00 0.00 0.00 0.00 44.72 44.12 1jhx s GLY 339 CO 0.35 -0.46 -0.17 -0.54 0.00 0.00 0.00 173.10 172.28 1jhx s GLU 340 N -5.92 2.24 0.19 2.90 2.02 -1.26 -0.80 118.70 118.06 1jhx s GLU 340 Ca 0.76 -0.87 -0.17 0.00 0.02 0.00 0.00 54.97 54.70 1jhx s GLU 340 Cb -0.03 -2.25 0.15 0.00 0.10 0.00 0.00 34.13 32.10 1jhx s GLU 340 CO 0.54 0.57 1.63 -0.07 0.02 0.00 0.00 175.26 177.95 1jhx h LEU 341 N 4.88 -0.69 -0.92 1.80 3.38 -1.52 -1.68 115.31 120.56 1jhx h LEU 341 Ca -0.47 0.17 0.13 0.00 0.09 0.00 0.00 57.88 57.81 1jhx h LEU 341 Cb 1.15 0.39 -0.09 0.00 0.09 0.00 0.00 40.66 42.21 1jhx h LEU 341 CO 0.49 -0.23 0.54 0.00 0.09 0.00 0.00 178.44 179.33 1jhx h ALA 342 N 1.30 1.39 0.00 1.53 0.00 -1.80 -0.23 119.26 121.46 1jhx h ALA 342 Ca 0.24 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1jhx h ALA 342 Cb 0.45 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1jhx h ALA 342 CO -0.56 0.08 -0.06 0.00 0.00 0.00 0.00 179.25 178.70 1jhx h ALA 343 N 1.54 1.22 -0.11 0.00 0.00 -1.68 -0.90 119.26 119.32 1jhx h ALA 343 Ca 0.48 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1jhx h ALA 343 Cb 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1jhx h ALA 343 CO -0.30 0.08 0.00 0.43 0.00 0.00 0.00 179.25 179.46 1jhx n SER 344 N -3.48 3.01 -0.88 0.00 7.64 -0.22 -4.93 113.62 114.76 1jhx n SER 344 Ca -0.02 -1.95 -0.11 0.00 1.01 0.00 0.00 58.87 57.80 1jhx n SER 344 Cb 0.19 -0.06 -0.05 0.00 -1.01 0.00 0.00 64.21 63.29 1jhx n SER 344 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1jhx n ASN 345 N 1.31 -4.32 -4.65 6.43 5.03 -0.34 -4.95 115.26 113.77 1jhx n ASN 345 Ca 0.14 0.26 -0.42 0.00 0.87 0.00 0.00 54.58 55.44 1jhx n ASN 345 Cb 0.57 -2.85 -0.04 0.00 -1.02 0.00 0.00 39.78 36.45 1jhx n ASN 345 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1jhx s ILE 346 N -2.43 4.78 -0.19 2.41 1.01 -0.49 -5.00 121.20 121.31 1jhx s ILE 346 Ca 0.00 1.71 -0.01 0.00 0.00 0.00 0.00 60.65 62.36 1jhx s ILE 346 Cb 0.00 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 38.29 1jhx s ILE 346 CO 0.00 -0.11 -0.14 -0.69 0.00 0.00 0.00 174.94 174.00 1jhx s VAL 347 N 2.97 2.65 0.04 2.92 1.01 -1.26 -4.33 120.40 124.39 1jhx s VAL 347 Ca 0.38 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 61.66 1jhx s VAL 347 Cb -0.15 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 1jhx s VAL 347 CO 0.07 0.50 -0.11 -0.76 0.00 0.00 0.00 175.10 174.80 1jhx s LEU 348 N 1.21 2.96 0.00 3.92 1.43 -1.26 -5.22 118.68 121.73 1jhx s LEU 348 Ca 0.02 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 1jhx s LEU 348 Cb -0.14 -1.73 0.09 0.00 0.03 0.00 0.00 46.19 44.44 1jhx s LEU 348 CO -0.06 0.25 0.58 -0.81 0.23 0.00 0.00 176.35 176.54