#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jho h HIS 5 N 0.00 0.18 0.65 1.96 3.86 -2.02 0.30 115.15 120.07 1jho h HIS 5 Ca 0.00 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 1jho h HIS 5 Cb 0.00 -0.05 0.01 0.00 1.06 0.00 0.00 27.41 28.42 1jho h HIS 5 CO 0.00 0.30 -0.31 0.00 0.86 0.00 0.00 177.93 178.78 1jho h ALA 6 N 1.71 -0.88 -0.81 2.45 0.00 -2.05 0.52 119.26 120.21 1jho h ALA 6 Ca 0.03 -0.21 0.13 0.00 0.00 0.00 0.00 54.91 54.86 1jho h ALA 6 Cb 0.33 0.34 -0.14 0.00 0.00 0.00 0.00 17.79 18.32 1jho h ALA 6 CO 0.02 -0.91 -0.39 1.25 0.00 0.00 0.00 179.25 179.22 1jho h LEU 7 N -1.03 -1.39 -0.93 0.00 5.85 -1.83 0.28 115.31 116.26 1jho h LEU 7 Ca -0.09 0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 1jho h LEU 7 Cb 0.71 0.70 -0.04 0.00 0.37 0.00 0.00 40.66 42.40 1jho h LEU 7 CO 0.15 -0.30 0.45 -0.07 -0.34 0.00 0.00 178.44 178.33 1jho h LEU 8 N -0.08 1.09 -0.93 2.25 3.38 -0.84 -2.85 115.31 117.33 1jho h LEU 8 Ca 0.28 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1jho h LEU 8 Cb 0.57 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1jho h LEU 8 CO -0.84 0.89 0.53 -0.09 0.09 0.00 0.00 178.44 179.02 1jho h ARG 9 N 1.21 1.27 -0.06 1.13 2.43 0.18 -3.03 114.38 117.52 1jho h ARG 9 Ca 0.30 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1jho h ARG 9 Cb 0.06 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.35 1jho h ARG 9 CO -0.04 0.91 0.00 -0.25 -1.51 0.00 0.00 179.97 179.07 1jho n ASP 10 N -4.34 0.42 -4.68 -3.80 10.43 -0.12 -4.87 116.55 109.58 1jho n ASP 10 Ca 0.10 -1.72 -0.42 0.00 2.57 0.00 0.00 54.79 55.32 1jho n ASP 10 Cb 0.08 -0.04 -0.03 0.00 1.84 0.00 0.00 41.12 42.97 1jho n ASP 10 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1jho s ILE 11 N -1.92 3.38 0.50 0.53 1.01 -1.15 -4.91 121.20 118.64 1jho s ILE 11 Ca 0.18 0.69 -0.20 0.00 0.00 0.00 0.00 60.65 61.32 1jho s ILE 11 Cb 0.09 -3.45 -0.08 0.00 0.01 0.00 0.00 42.46 39.04 1jho s ILE 11 CO 0.14 -0.03 1.08 -2.16 0.00 0.00 0.00 174.94 173.97 1jho s PRO 12 N 3.13 3.66 0.59 2.79 0.04 -1.26 -5.03 135.00 138.92 1jho s PRO 12 Ca 0.72 1.48 -0.12 0.00 0.04 0.00 0.00 61.00 63.11 1jho s PRO 12 Cb -0.36 -2.10 -0.05 0.00 0.04 0.00 0.00 34.50 32.03 1jho s PRO 12 CO 0.30 -0.57 1.01 0.00 0.04 0.00 0.00 177.00 177.78 1jho s ALA 13 N -1.87 3.11 0.55 8.56 0.00 -1.26 -5.00 121.76 125.85 1jho s ALA 13 Ca 0.69 -0.04 -0.19 0.00 0.00 0.00 0.00 51.96 52.41 1jho s ALA 13 Cb -0.20 -3.07 -0.06 0.00 0.00 0.00 0.00 23.12 19.80 1jho s ALA 13 CO 0.23 -0.57 1.10 -2.14 0.00 0.00 0.00 175.76 174.39 1jho s PRO 14 N -4.90 3.39 -0.82 0.00 0.02 -1.26 -4.79 135.00 126.64 1jho s PRO 14 Ca 0.56 1.49 -0.22 0.00 0.02 0.00 0.00 61.00 62.85 1jho s PRO 14 Cb -0.11 -2.02 0.08 0.00 0.02 0.00 0.00 34.50 32.47 1jho s PRO 14 CO 0.48 -0.79 1.13 0.34 -0.33 0.00 0.00 177.00 177.83 1jho s ASP 15 N -2.01 6.38 0.48 2.53 3.68 0.11 -4.88 116.67 122.96 1jho s ASP 15 Ca 0.70 -1.36 0.15 0.00 2.13 0.00 0.00 52.55 54.17 1jho s ASP 15 Cb -0.21 -2.45 1.15 0.00 -1.45 0.00 0.00 42.92 39.96 1jho s ASP 15 CO 0.28 -1.37 2.07 0.00 0.13 0.00 0.00 175.17 176.28 1jho h ALA 16 N 9.41 2.02 -0.24 3.66 0.00 -1.92 -2.01 119.26 130.18 1jho h ALA 16 Ca -0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1jho h ALA 16 Cb 1.04 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1jho h ALA 16 CO 1.21 -0.07 0.06 1.49 0.00 0.00 0.00 179.25 181.94 1jho h GLU 17 N 0.20 0.37 -0.66 0.00 4.22 -1.98 -0.69 114.58 116.05 1jho h GLU 17 Ca 0.13 -0.09 -0.03 0.00 0.08 0.00 0.00 59.36 59.45 1jho h GLU 17 Cb 0.25 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1jho h GLU 17 CO -0.02 0.47 0.30 0.00 -2.18 0.00 0.00 179.01 177.58 1jho h ALA 18 N 0.89 0.86 -0.79 2.92 0.00 -1.77 -2.28 119.26 119.09 1jho h ALA 18 Ca 0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1jho h ALA 18 Cb 0.26 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1jho h ALA 18 CO -0.00 0.44 0.43 0.52 0.00 0.00 0.00 179.25 180.65 1jho h MET 19 N 0.93 1.10 -0.57 0.00 2.86 -1.15 0.50 114.93 118.61 1jho h MET 19 Ca 0.23 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 1jho h MET 19 Cb 0.15 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 1jho h MET 19 CO -0.02 0.82 0.26 0.00 1.06 0.00 0.00 176.91 179.02 1jho h ALA 20 N 1.23 0.74 -0.64 6.32 0.00 -0.88 -0.10 119.26 125.93 1jho h ALA 20 Ca 0.28 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1jho h ALA 20 Cb 0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1jho h ALA 20 CO -0.04 0.31 0.13 0.00 0.00 0.00 0.00 179.25 179.65 1jho h ARG 21 N 0.78 1.01 -0.33 0.00 3.08 -0.99 -2.13 114.38 115.80 1jho h ARG 21 Ca 0.19 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1jho h ARG 21 Cb 0.14 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1jho h ARG 21 CO -0.02 0.91 0.10 1.15 -1.07 0.00 0.00 179.97 181.04 1jho h THR 22 N 0.96 1.21 -0.16 2.04 2.02 -0.42 -1.81 112.91 116.75 1jho h THR 22 Ca 0.20 -0.67 0.04 0.00 0.77 0.00 0.00 66.41 66.75 1jho h THR 22 Cb 0.37 1.03 -0.05 0.00 -1.74 0.00 0.00 68.15 67.77 1jho h THR 22 CO 0.00 0.23 -0.13 -0.61 0.37 0.00 0.00 175.52 175.38 1jho h GLN 23 N 0.37 -0.13 -0.73 6.66 5.75 -0.74 -0.08 115.11 126.20 1jho h GLN 23 Ca 0.10 0.01 0.06 0.00 -0.15 0.00 0.00 58.65 58.67 1jho h GLN 23 Cb 0.25 0.03 -0.06 0.00 1.07 0.00 0.00 27.48 28.78 1jho h GLN 23 CO -0.00 -0.09 0.42 1.96 -2.65 0.00 0.00 178.83 178.47 1jho h GLN 24 N -0.14 0.76 -0.45 1.69 7.50 -1.32 0.39 115.11 123.53 1jho h GLN 24 Ca 0.10 -0.05 -0.02 0.00 0.50 0.00 0.00 58.65 59.19 1jho h GLN 24 Cb 0.29 -0.17 -0.02 0.00 0.05 0.00 0.00 27.48 27.63 1jho h GLN 24 CO -0.24 0.50 0.22 1.25 -1.50 0.00 0.00 178.83 179.05 1jho h HIS 25 N 0.78 0.64 -0.82 2.96 -0.00 -0.61 -2.68 115.15 115.42 1jho h HIS 25 Ca 0.32 -0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.65 1jho h HIS 25 Cb 0.18 -0.20 -0.04 0.00 -0.00 0.00 0.00 27.41 27.35 1jho h HIS 25 CO -0.06 0.52 0.46 0.82 -0.00 0.00 0.00 177.93 179.66 1jho h ILE 26 N 0.58 1.24 0.00 6.26 2.04 -0.46 -1.83 117.51 125.34 1jho h ILE 26 Ca 0.15 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 1jho h ILE 26 Cb 0.11 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.32 1jho h ILE 26 CO -0.02 0.26 -0.08 0.44 0.00 0.00 0.00 178.15 178.75 1jho h ASP 27 N 1.13 0.00 0.05 1.72 3.45 -0.64 -2.41 116.42 119.72 1jho h ASP 27 Ca 0.29 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.75 1jho h ASP 27 Cb 0.02 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.79 1jho h ASP 27 CO -0.05 0.08 -0.02 0.61 -1.57 0.00 0.00 179.24 178.29 1jho n GLY 28 N -1.07 -0.49 3.78 2.75 0.00 -0.69 -4.74 105.19 104.73 1jho n GLY 28 Ca -0.02 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 1jho n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jho s LEU 29 N -2.08 3.11 -0.23 0.99 1.02 -0.91 -1.32 118.68 119.26 1jho s LEU 29 Ca 0.40 1.78 -0.21 0.00 0.02 0.00 0.00 54.13 56.12 1jho s LEU 29 Cb 0.21 -4.52 -0.23 0.00 0.02 0.00 0.00 46.19 41.68 1jho s LEU 29 CO 0.37 -1.80 1.58 -0.11 0.02 0.00 0.00 176.35 176.41 1jho n LEU 30 N -3.26 1.73 -3.59 1.79 7.94 0.81 -4.18 117.00 118.24 1jho n LEU 30 Ca 0.09 -1.79 -0.04 0.00 -1.11 0.00 0.00 56.01 53.16 1jho n LEU 30 Cb 0.53 -0.67 -0.02 0.00 0.53 0.00 0.00 43.42 43.79 1jho n LEU 30 CO 0.53 -1.30 0.93 -1.59 -1.11 0.00 0.00 177.39 174.85 1jho s LYS 31 N 5.89 0.51 0.32 1.96 -2.85 -1.26 -4.98 119.74 119.33 1jho s LYS 31 Ca 0.50 -0.22 -0.29 0.00 -1.00 0.00 0.00 55.97 54.96 1jho s LYS 31 Cb 0.11 0.21 -0.10 0.00 -2.06 0.00 0.00 37.83 35.99 1jho s LYS 31 CO 0.20 -0.23 1.37 -2.14 0.10 0.00 0.00 175.35 174.65 1jho s PRO 32 N -2.64 4.29 0.30 1.78 0.02 -1.26 -4.88 135.00 132.60 1jho s PRO 32 Ca 0.10 2.30 -0.30 0.00 0.02 0.00 0.00 61.00 63.12 1jho s PRO 32 Cb 0.00 -3.06 -0.12 0.00 0.02 0.00 0.00 34.50 31.34 1jho s PRO 32 CO -0.05 -0.31 1.53 -2.30 -0.33 0.00 0.00 177.00 175.55 1jho n PRO 33 N 1.12 2.54 -0.64 5.54 -0.02 -1.26 -1.54 135.00 140.73 1jho n PRO 33 Ca 0.02 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1jho n PRO 33 Cb 0.41 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 1jho n PRO 33 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jho n GLY 34 N 1.88 1.41 0.30 -1.23 0.00 -1.26 -4.90 105.19 101.39 1jho n GLY 34 Ca 0.08 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.26 1jho n GLY 34 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jho h SER 35 N 0.00 0.00 -0.41 1.61 4.64 -1.65 -1.77 113.55 115.98 1jho h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jho h SER 35 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1jho h SER 35 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1jho n LEU 36 N -3.71 2.26 0.00 5.97 4.32 -1.26 -4.99 117.00 119.58 1jho n LEU 36 Ca -0.03 -1.12 0.00 0.00 -0.02 0.00 0.00 56.01 54.84 1jho n LEU 36 Cb 0.08 -0.27 0.00 0.00 -1.62 0.00 0.00 43.42 41.61 1jho n LEU 36 CO 0.26 0.56 0.00 0.61 -1.22 0.00 0.00 177.39 177.60 1jho n GLY 37 N 1.18 2.17 0.32 -0.72 0.00 -0.67 -1.69 105.19 105.78 1jho n GLY 37 Ca 0.14 0.37 0.20 0.00 0.00 0.00 0.00 46.02 46.74 1jho n GLY 37 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1jho h ARG 38 N 0.00 0.00 -0.10 1.61 3.08 -1.94 -1.40 114.38 115.63 1jho h ARG 38 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 1jho h ARG 38 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1jho h ARG 38 CO 0.00 0.01 -0.47 1.25 -1.07 0.00 0.00 179.97 179.69 1jho h LEU 39 N 0.00 0.27 -0.08 3.04 5.85 -1.75 0.12 115.31 122.76 1jho h LEU 39 Ca -0.00 -0.13 -0.13 0.00 0.84 0.00 0.00 57.88 58.47 1jho h LEU 39 Cb 0.15 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.11 1jho h LEU 39 CO 0.00 0.71 -0.45 -0.33 -0.34 0.00 0.00 178.44 178.03 1jho h GLU 40 N 0.21 0.44 -0.44 1.25 5.08 -1.32 -2.47 114.58 117.34 1jho h GLU 40 Ca 0.01 -0.37 0.01 0.00 -1.00 0.00 0.00 59.36 58.01 1jho h GLU 40 Cb 0.91 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 1jho h GLU 40 CO 0.07 1.01 0.28 1.15 -1.00 0.00 0.00 179.01 180.53 1jho h THR 41 N -0.01 1.10 -0.08 1.13 2.02 -1.43 -1.21 112.91 114.44 1jho h THR 41 Ca -0.03 -0.20 0.02 0.00 0.77 0.00 0.00 66.41 66.96 1jho h THR 41 Cb 1.10 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 1jho h THR 41 CO 0.09 0.11 -0.03 0.25 0.37 0.00 0.00 175.52 176.31 1jho h LEU 42 N 0.58 -0.10 -0.98 2.58 5.85 -0.99 -0.37 115.31 121.87 1jho h LEU 42 Ca 0.16 0.03 0.13 0.00 0.84 0.00 0.00 57.88 59.04 1jho h LEU 42 Cb -0.05 0.06 -0.09 0.00 0.37 0.00 0.00 40.66 40.95 1jho h LEU 42 CO -0.04 -0.04 0.61 0.00 -0.34 0.00 0.00 178.44 178.62 1jho h ALA 43 N 1.06 1.49 -0.41 1.25 0.00 -1.10 -0.52 119.26 121.03 1jho h ALA 43 Ca 0.04 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 1jho h ALA 43 Cb 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1jho h ALA 43 CO -0.09 0.17 -0.29 0.28 0.00 0.00 0.00 179.25 179.32 1jho h VAL 44 N 0.94 1.27 -0.22 0.00 2.07 -0.70 -2.39 116.25 117.21 1jho h VAL 44 Ca 0.50 -1.45 0.02 0.00 0.82 0.00 0.00 66.70 66.58 1jho h VAL 44 Cb 0.53 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1jho h VAL 44 CO -0.28 0.49 0.10 -0.61 0.02 0.00 0.00 177.57 177.29 1jho h GLN 45 N 0.76 0.21 -0.71 1.57 4.15 0.39 -2.59 115.11 118.89 1jho h GLN 45 Ca 0.08 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.53 1jho h GLN 45 Cb 0.86 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 28.45 1jho h GLN 45 CO 0.08 0.14 0.44 -0.07 -1.93 0.00 0.00 178.83 177.48 1jho h LEU 46 N 0.22 0.71 -2.05 -2.39 3.38 -1.08 -2.28 115.31 111.81 1jho h LEU 46 Ca 0.09 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.11 1jho h LEU 46 Cb 0.04 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1jho h LEU 46 CO -0.07 0.48 0.10 0.00 0.09 0.00 0.00 178.44 179.03 1jho h ALA 47 N 1.32 2.06 0.00 1.53 0.00 -1.05 -1.58 119.26 121.54 1jho h ALA 47 Ca 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1jho h ALA 47 Cb 0.06 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1jho h ALA 47 CO -0.13 -0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.37 1jho n GLY 48 N -1.54 -1.56 3.60 0.00 0.00 -0.86 -4.28 105.19 100.56 1jho n GLY 48 Ca 0.00 0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1jho n GLY 48 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jho s MET 49 N -3.18 3.72 0.44 1.61 1.00 -0.60 0.05 119.30 122.35 1jho s MET 49 Ca 0.08 0.59 0.23 0.00 0.00 0.00 0.00 55.69 56.59 1jho s MET 49 Cb 0.11 -3.91 1.22 0.00 0.00 0.00 0.00 34.83 32.25 1jho s MET 49 CO 0.53 -1.39 1.81 -1.35 0.00 0.00 0.00 175.02 174.62 1jho h PRO 50 N 9.28 0.27 0.00 2.03 0.11 -1.85 -0.10 132.00 141.75 1jho h PRO 50 Ca -0.23 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1jho h PRO 50 Cb 1.06 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1jho h PRO 50 CO 1.13 0.18 0.00 0.41 -0.21 0.00 0.00 178.00 179.51 1jho n GLY 51 N -1.56 -0.98 0.65 -0.55 0.00 -0.36 -2.72 105.19 99.66 1jho n GLY 51 Ca 0.23 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.31 1jho n GLY 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jho n LEU 52 N -1.39 2.13 -3.10 0.99 4.32 -0.05 -4.97 117.00 114.94 1jho n LEU 52 Ca 0.06 -0.71 -0.20 0.00 -0.02 0.00 0.00 56.01 55.15 1jho n LEU 52 Cb 0.17 -0.01 0.07 0.00 -1.62 0.00 0.00 43.42 42.03 1jho n LEU 52 CO 0.15 0.36 0.20 0.59 -1.22 0.00 0.00 177.39 177.47 1jho n ASN 53 N 0.54 -5.34 -1.46 -1.43 3.02 -1.10 -3.40 115.26 106.09 1jho n ASN 53 Ca 0.15 -0.46 -0.18 0.00 -0.03 0.00 0.00 54.58 54.06 1jho n ASN 53 Cb 0.47 -4.32 -0.07 0.00 -0.61 0.00 0.00 39.78 35.25 1jho n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jho n GLY 54 N -1.71 1.48 3.30 7.41 0.00 -1.26 -4.97 105.19 109.43 1jho n GLY 54 Ca -0.02 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 1jho n GLY 54 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1jho s THR 55 N -2.70 0.06 -0.31 2.61 -1.32 -1.22 -4.91 115.64 107.86 1jho s THR 55 Ca 0.00 -0.51 -0.29 0.00 -1.21 0.00 0.00 61.69 59.68 1jho s THR 55 Cb 0.00 -0.92 -0.01 0.00 -1.51 0.00 0.00 72.50 70.06 1jho s THR 55 CO 0.00 -0.28 1.50 -2.16 -2.21 0.00 0.00 174.62 171.47 1jho s PRO 56 N -2.36 3.69 0.02 7.08 0.04 -1.26 -4.49 135.00 137.71 1jho s PRO 56 Ca -0.06 1.30 -0.12 0.00 0.04 0.00 0.00 61.00 62.16 1jho s PRO 56 Cb -0.01 -4.02 0.01 0.00 0.04 0.00 0.00 34.50 30.53 1jho s PRO 56 CO -0.02 -1.41 0.26 1.14 0.04 0.00 0.00 177.00 177.01 1jho s GLN 57 N 4.76 0.69 -0.07 4.56 -2.07 -1.26 -4.76 119.66 121.51 1jho s GLN 57 Ca 0.66 -0.42 -0.00 0.00 -1.82 0.00 0.00 55.36 53.77 1jho s GLN 57 Cb -0.19 0.30 0.02 0.00 -1.09 0.00 0.00 33.01 32.05 1jho s GLN 57 CO 0.29 -0.20 -0.05 0.08 -1.32 0.00 0.00 175.29 174.10 1jho s VAL 58 N -2.01 0.68 0.00 3.63 1.01 -1.26 -4.98 120.40 117.47 1jho s VAL 58 Ca -0.09 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1jho s VAL 58 Cb -0.03 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.61 1jho s VAL 58 CO -0.00 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.00 1jho n GLY 59 N 4.65 0.41 3.87 4.51 0.00 -1.26 -5.05 105.19 112.31 1jho n GLY 59 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 1jho n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jho s GLU 60 N 2.25 3.83 -0.02 1.61 0.41 -0.94 -4.84 118.70 121.00 1jho s GLU 60 Ca 0.00 0.55 0.07 0.00 -0.41 0.00 0.00 54.97 55.18 1jho s GLU 60 Cb 0.00 -2.37 -0.02 0.00 -1.78 0.00 0.00 34.13 29.96 1jho s GLU 60 CO 0.00 -0.03 -0.23 0.15 -0.49 0.00 0.00 175.26 174.65 1jho s LYS 61 N -3.74 1.89 0.00 1.61 1.02 -1.26 -0.76 119.74 118.51 1jho s LYS 61 Ca 0.52 -0.84 0.00 0.00 0.02 0.00 0.00 55.97 55.67 1jho s LYS 61 Cb -0.10 -1.83 -0.00 0.00 -0.52 0.00 0.00 37.83 35.37 1jho s LYS 61 CO 0.29 0.50 -0.01 0.00 -0.92 0.00 0.00 175.35 175.21 1jho s ALA 62 N -0.56 0.06 -0.20 5.17 0.00 -0.79 -1.08 121.76 124.36 1jho s ALA 62 Ca 0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 51.96 51.89 1jho s ALA 62 Cb -0.09 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.06 1jho s ALA 62 CO -0.01 -0.03 -0.11 0.08 0.00 0.00 0.00 175.76 175.69 1jho s VAL 63 N -0.32 2.79 -0.31 0.00 1.01 -0.17 -0.93 120.40 122.47 1jho s VAL 63 Ca -0.03 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.11 1jho s VAL 63 Cb -0.02 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 1jho s VAL 63 CO -0.00 0.46 0.27 -0.76 0.00 0.00 0.00 175.10 175.07 1jho s LEU 64 N 1.39 4.23 -0.28 3.92 1.02 -0.62 -0.07 118.68 128.27 1jho s LEU 64 Ca 0.05 -0.10 -0.07 0.00 0.02 0.00 0.00 54.13 54.03 1jho s LEU 64 Cb -0.14 -2.23 -0.01 0.00 0.02 0.00 0.00 46.19 43.84 1jho s LEU 64 CO -0.07 -0.18 0.09 -0.69 0.02 0.00 0.00 176.35 175.51 1jho s VAL 65 N 1.86 4.16 -0.32 -1.59 1.01 0.60 -1.12 120.40 125.00 1jho s VAL 65 Ca 0.09 -0.48 -0.15 0.00 0.00 0.00 0.00 61.98 61.45 1jho s VAL 65 Cb -0.16 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 1jho s VAL 65 CO 0.11 0.17 0.35 -0.04 0.00 0.00 0.00 175.10 175.69 1jho s MET 66 N 1.55 3.68 -0.09 2.72 1.00 -0.10 -0.31 119.30 127.76 1jho s MET 66 Ca 0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 55.69 55.40 1jho s MET 66 Cb -0.16 -3.76 -0.03 0.00 0.00 0.00 0.00 34.83 30.87 1jho s MET 66 CO 0.03 -0.45 -0.05 0.00 0.00 0.00 0.00 175.02 174.55 1jho s ALA 68 N -0.53 -1.93 0.22 0.00 0.00 -0.80 -0.47 121.76 118.27 1jho s ALA 68 Ca 0.08 1.39 0.05 0.00 0.00 0.00 0.00 51.96 53.48 1jho s ALA 68 Cb -0.12 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 1jho s ALA 68 CO 0.02 -0.51 0.29 -0.51 0.00 0.00 0.00 175.76 175.05 1jho s ASP 69 N -1.85 6.05 -0.04 0.00 -0.00 -0.14 -4.10 116.67 116.59 1jho s ASP 69 Ca 0.04 -0.02 0.04 0.00 -0.00 0.00 0.00 52.55 52.61 1jho s ASP 69 Cb -0.01 -1.71 -0.00 0.00 -0.00 0.00 0.00 42.92 41.20 1jho s ASP 69 CO -0.04 -0.03 -0.16 -1.00 -0.00 0.00 0.00 175.17 173.93 1jho s HIS 70 N -1.97 1.63 0.44 4.23 3.76 -1.26 -1.47 115.29 120.65 1jho s HIS 70 Ca 0.34 -0.47 0.14 0.00 -0.15 0.00 0.00 55.06 54.91 1jho s HIS 70 Cb -0.09 -1.11 0.96 0.00 1.11 0.00 0.00 32.58 33.46 1jho s HIS 70 CO 0.27 -0.16 1.98 0.78 -0.85 0.00 0.00 174.74 176.76 1jho h GLY 71 N 6.29 0.03 1.97 -2.22 0.00 -1.30 -2.39 103.07 105.45 1jho h GLY 71 Ca -0.32 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1jho h GLY 71 CO 0.48 0.02 0.01 1.55 0.00 0.00 0.00 176.54 178.60 1jho n VAL 72 N -4.31 1.46 -0.10 4.60 3.14 -1.26 -1.76 118.33 120.10 1jho n VAL 72 Ca -0.02 0.63 0.12 0.00 -2.96 0.00 0.00 64.34 62.11 1jho n VAL 72 Cb 0.25 -1.63 0.49 0.00 -1.06 0.00 0.00 33.84 31.90 1jho n VAL 72 CO 0.00 0.00 0.00 -0.25 -6.46 0.00 0.00 176.83 170.12 1jho h TRP 73 N 0.00 0.46 0.00 1.45 7.01 -1.74 -0.33 115.95 122.79 1jho h TRP 73 Ca 0.00 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.01 1jho h TRP 73 Cb 0.02 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 26.93 1jho h TRP 73 CO 0.00 0.21 0.00 -0.25 -2.79 0.00 0.00 178.44 175.61 1jho n ASP 74 N -4.47 0.33 -0.31 2.65 8.00 -0.72 -2.41 116.55 119.62 1jho n ASP 74 Ca 0.11 0.62 0.08 0.00 0.71 0.00 0.00 54.79 56.31 1jho n ASP 74 Cb 0.39 -0.67 0.36 0.00 -0.02 0.00 0.00 41.12 41.18 1jho n ASP 74 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jho n GLU 75 N -1.90 1.40 -1.68 -1.24 -0.58 -0.13 -4.92 120.64 111.59 1jho n GLU 75 Ca 0.01 -0.60 -0.06 0.00 -0.42 0.00 0.00 57.16 56.09 1jho n GLU 75 Cb 0.10 -1.29 -0.01 0.00 -0.57 0.00 0.00 31.44 29.66 1jho n GLU 75 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jho n GLY 76 N 0.92 0.45 0.19 0.62 0.00 -1.01 -4.94 105.19 101.42 1jho n GLY 76 Ca 0.13 -0.72 0.13 0.00 0.00 0.00 0.00 46.02 45.56 1jho n GLY 76 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1jho n VAL 77 N -3.47 0.00 -4.01 1.61 0.24 -1.26 -4.89 118.33 106.56 1jho n VAL 77 Ca -0.06 -0.10 -0.16 0.00 -2.04 0.00 0.00 64.34 61.98 1jho n VAL 77 Cb 0.38 0.33 -0.15 0.00 -1.47 0.00 0.00 33.84 32.93 1jho n VAL 77 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jho s ALA 78 N -2.60 0.31 -0.53 2.33 0.00 -1.26 -4.89 121.76 115.11 1jho s ALA 78 Ca 0.22 -0.00 0.24 0.00 0.00 0.00 0.00 51.96 52.42 1jho s ALA 78 Cb 0.19 -0.19 0.31 0.00 0.00 0.00 0.00 23.12 23.42 1jho s ALA 78 CO 0.55 0.01 1.33 -0.39 0.00 0.00 0.00 175.76 177.25 1jho h VAL 79 N 5.63 0.00 -3.60 0.00 -1.51 -1.90 -3.46 116.25 111.41 1jho h VAL 79 Ca -0.34 -0.66 -0.51 0.00 -1.23 0.00 0.00 66.70 63.95 1jho h VAL 79 Cb 1.17 1.30 -0.00 0.00 -2.13 0.00 0.00 31.29 31.63 1jho h VAL 79 CO 0.49 0.00 0.45 -0.44 -1.23 0.00 0.00 177.57 176.84 1jho s SER 80 N -4.72 7.33 0.48 4.19 0.01 -1.26 -4.99 113.70 114.75 1jho s SER 80 Ca 0.05 2.05 -0.24 0.00 1.31 0.00 0.00 55.95 59.12 1jho s SER 80 Cb 0.12 -2.60 -0.07 0.00 0.21 0.00 0.00 66.02 63.67 1jho s SER 80 CO 0.72 -0.16 1.39 -2.84 0.41 0.00 0.00 173.24 172.76 1jho s PRO 81 N -0.48 3.49 0.26 12.44 0.02 -1.26 -4.87 135.00 144.59 1jho s PRO 81 Ca 0.48 2.32 -0.02 0.00 0.02 0.00 0.00 61.00 63.80 1jho s PRO 81 Cb -0.28 -2.50 0.51 0.00 0.02 0.00 0.00 34.50 32.25 1jho s PRO 81 CO 0.34 -0.94 1.74 -0.22 -0.33 0.00 0.00 177.00 177.60 1jho h LYS 82 N 2.01 0.51 0.00 5.54 3.64 -1.95 -0.27 116.57 126.04 1jho h LYS 82 Ca -0.51 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 1jho h LYS 82 Cb 1.28 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1jho h LYS 82 CO 0.60 0.34 0.10 0.97 -2.27 0.00 0.00 179.45 179.18 1jho h ILE 83 N 0.52 0.00 -0.63 2.00 2.10 -1.94 -2.58 117.51 116.98 1jho h ILE 83 Ca 0.45 0.00 0.10 0.00 1.08 0.00 0.00 64.86 66.49 1jho h ILE 83 Cb 0.67 0.80 -0.04 0.00 -1.09 0.00 0.00 36.82 37.16 1jho h ILE 83 CO -0.39 0.00 0.42 0.58 -1.08 0.00 0.00 178.15 177.68 1jho h VAL 84 N 0.00 0.90 -0.18 2.19 2.07 -1.39 -1.20 116.25 118.64 1jho h VAL 84 Ca 0.00 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.39 1jho h VAL 84 Cb 0.20 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1jho h VAL 84 CO 0.00 0.08 0.03 0.74 0.02 0.00 0.00 177.57 178.45 1jho h THR 85 N 0.45 0.92 -0.48 2.57 2.02 -1.66 0.13 112.91 116.86 1jho h THR 85 Ca 0.29 -0.04 -0.05 0.00 0.77 0.00 0.00 66.41 67.38 1jho h THR 85 Cb 0.53 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 1jho h THR 85 CO -0.09 0.02 0.09 0.00 0.37 0.00 0.00 175.52 175.91 1jho h ALA 86 N 1.13 0.63 0.43 6.16 0.00 -1.57 -1.16 119.26 124.88 1jho h ALA 86 Ca 0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1jho h ALA 86 Cb 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1jho h ALA 86 CO -0.11 0.35 -0.20 0.82 0.00 0.00 0.00 179.25 180.11 1jho h ILE 87 N 0.66 0.58 -0.73 0.00 2.04 -0.93 -2.27 117.51 116.85 1jho h ILE 87 Ca 0.15 -0.16 0.03 0.00 1.00 0.00 0.00 64.86 65.88 1jho h ILE 87 Cb 0.37 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 1jho h ILE 87 CO 0.01 0.03 0.48 1.56 0.00 0.00 0.00 178.15 180.23 1jho h GLN 88 N -0.66 0.87 -0.59 2.37 1.08 -0.76 -1.24 115.11 116.18 1jho h GLN 88 Ca -0.06 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.08 1jho h GLN 88 Cb 0.49 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.69 1jho h GLN 88 CO 0.10 0.58 0.35 0.00 -0.95 0.00 0.00 178.83 178.90 1jho h ALA 89 N 1.57 0.75 -0.41 3.87 0.00 -1.03 0.27 119.26 124.28 1jho h ALA 89 Ca 0.29 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1jho h ALA 89 Cb 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1jho h ALA 89 CO -0.08 0.24 0.25 0.00 0.00 0.00 0.00 179.25 179.66 1jho h ALA 90 N 1.17 0.52 -0.56 0.00 0.00 -0.75 -1.57 119.26 118.08 1jho h ALA 90 Ca 0.21 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.18 1jho h ALA 90 Cb -0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1jho h ALA 90 CO -0.04 0.01 0.38 -0.91 0.00 0.00 0.00 179.25 178.69 1jho h ASN 91 N 0.54 0.24 -0.31 0.00 2.35 -0.72 0.42 115.58 118.10 1jho h ASN 91 Ca 0.15 0.01 0.04 0.00 -0.55 0.00 0.00 56.30 55.95 1jho h ASN 91 Cb -0.01 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 1jho h ASN 91 CO -0.03 0.14 0.21 0.24 -1.65 0.00 0.00 177.43 176.34 1jho h MET 92 N 0.26 0.23 0.00 0.81 2.86 0.10 0.15 114.93 119.33 1jho h MET 92 Ca 0.26 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 1jho h MET 92 Cb 0.69 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.30 1jho h MET 92 CO -0.06 0.15 0.00 0.25 1.06 0.00 0.00 176.91 178.32 1jho n THR 93 N -4.49 0.59 0.78 2.22 -2.24 0.15 -3.10 114.28 108.19 1jho n THR 93 Ca 0.03 0.01 0.09 0.00 -2.27 0.00 0.00 64.05 61.91 1jho n THR 93 Cb 0.21 -0.79 0.03 0.00 -2.10 0.00 0.00 70.33 67.68 1jho n THR 93 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1jho n ARG 94 N -1.96 1.58 -2.02 -0.78 1.74 0.47 -4.98 116.66 110.70 1jho n ARG 94 Ca 0.05 -1.19 -0.13 0.00 -0.77 0.00 0.00 57.85 55.80 1jho n ARG 94 Cb 0.31 -1.34 -0.02 0.00 -1.02 0.00 0.00 32.46 30.39 1jho n ARG 94 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jho n GLY 95 N 1.14 0.24 0.59 -0.13 0.00 -0.89 -4.90 105.19 101.24 1jho n GLY 95 Ca 0.09 -0.35 0.10 0.00 0.00 0.00 0.00 46.02 45.86 1jho n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jho n THR 96 N -3.64 0.00 -2.08 2.61 -2.24 -1.21 -4.35 114.28 103.38 1jho n THR 96 Ca -0.15 -0.38 -0.27 0.00 -2.27 0.00 0.00 64.05 60.97 1jho n THR 96 Cb 0.57 1.31 0.07 0.00 -2.10 0.00 0.00 70.33 70.18 1jho n THR 96 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1jho s THR 97 N -1.97 2.43 0.11 4.28 -4.23 -1.26 -4.88 115.64 110.12 1jho s THR 97 Ca 0.19 -0.07 -0.22 0.00 -1.18 0.00 0.00 61.69 60.41 1jho s THR 97 Cb 0.16 -3.09 -0.07 0.00 1.34 0.00 0.00 72.50 70.83 1jho s THR 97 CO 0.39 -0.11 1.70 1.23 -0.54 0.00 0.00 174.62 177.29 1jho h GLY 98 N -0.73 -0.04 1.01 3.99 0.00 -1.97 -0.62 103.07 104.71 1jho h GLY 98 Ca -0.45 0.10 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1jho h GLY 98 CO 0.63 -0.09 0.39 -2.08 0.00 0.00 0.00 176.54 175.39 1jho h VAL 99 N -0.11 1.22 -0.17 4.60 2.07 -1.87 -1.91 116.25 120.08 1jho h VAL 99 Ca 0.05 -0.56 0.04 0.00 0.82 0.00 0.00 66.70 67.06 1jho h VAL 99 Cb 0.19 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 1jho h VAL 99 CO -0.13 0.24 -0.09 0.00 0.02 0.00 0.00 177.57 177.62 1jho h VAL 101 N -0.08 1.22 -0.19 0.00 2.07 -0.99 -1.46 116.25 116.82 1jho h VAL 101 Ca 0.10 -0.58 -0.18 0.00 0.82 0.00 0.00 66.70 66.86 1jho h VAL 101 Cb 0.22 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1jho h VAL 101 CO -0.22 0.24 -0.60 -0.07 0.02 0.00 0.00 177.57 176.95 1jho h LEU 102 N 0.90 0.72 -0.36 2.57 3.38 -1.03 -2.52 115.31 118.97 1jho h LEU 102 Ca 0.23 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 1jho h LEU 102 Cb 0.08 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1jho h LEU 102 CO -0.03 1.15 0.04 0.00 0.09 0.00 0.00 178.44 179.69 1jho h ALA 103 N 0.85 0.48 -0.47 1.53 0.00 0.10 -2.07 119.26 119.68 1jho h ALA 103 Ca -0.00 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1jho h ALA 103 Cb 1.17 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1jho h ALA 103 CO 0.12 0.20 0.31 0.00 0.00 0.00 0.00 179.25 179.89 1jho h ALA 104 N 0.90 1.75 -0.44 0.00 0.00 -1.25 0.20 119.26 120.41 1jho h ALA 104 Ca 0.11 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1jho h ALA 104 Cb 0.39 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1jho h ALA 104 CO 0.01 0.21 -0.01 0.37 0.00 0.00 0.00 179.25 179.83 1jho h GLN 105 N 0.56 0.72 -0.01 0.00 5.75 -0.96 -2.68 115.11 118.50 1jho h GLN 105 Ca 0.19 -0.19 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1jho h GLN 105 Cb 0.05 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.51 1jho h GLN 105 CO -0.05 0.74 -0.21 0.00 -2.65 0.00 0.00 178.83 176.66 1jho n ALA 106 N -2.47 2.98 -2.02 3.38 0.00 -0.19 -4.94 120.51 117.24 1jho n ALA 106 Ca 0.02 -0.38 -0.07 0.00 0.00 0.00 0.00 53.44 53.01 1jho n ALA 106 Cb 0.29 -1.17 -0.01 0.00 0.00 0.00 0.00 19.45 18.56 1jho n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jho n GLY 107 N 1.32 0.18 3.91 0.00 0.00 0.51 -4.93 105.19 106.18 1jho n GLY 107 Ca 0.13 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 45.26 1jho n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jho s ALA 108 N -2.33 3.93 -0.14 4.61 0.00 -0.15 -4.57 121.76 123.10 1jho s ALA 108 Ca 0.00 -0.97 -0.06 0.00 0.00 0.00 0.00 51.96 50.92 1jho s ALA 108 Cb 0.00 -1.75 -0.04 0.00 0.00 0.00 0.00 23.12 21.33 1jho s ALA 108 CO 0.00 0.66 0.09 0.15 0.00 0.00 0.00 175.76 176.66 1jho s LYS 109 N -2.91 3.58 -0.12 0.00 1.02 -0.24 -4.14 119.74 116.93 1jho s LYS 109 Ca 0.34 -0.25 -0.17 0.00 0.02 0.00 0.00 55.97 55.91 1jho s LYS 109 Cb -0.12 -3.15 -0.04 0.00 -0.52 0.00 0.00 37.83 34.00 1jho s LYS 109 CO 0.28 0.57 0.42 0.08 -0.92 0.00 0.00 175.35 175.77 1jho s VAL 110 N -0.46 5.22 -0.26 3.17 1.01 -1.26 -1.00 120.40 126.81 1jho s VAL 110 Ca 0.11 0.82 -0.03 0.00 0.00 0.00 0.00 61.98 62.88 1jho s VAL 110 Cb -0.12 -3.75 0.02 0.00 0.00 0.00 0.00 36.38 32.53 1jho s VAL 110 CO 0.02 0.36 -0.02 -1.00 0.00 0.00 0.00 175.10 174.46 1jho s HIS 111 N 0.48 3.09 -0.27 5.22 3.76 0.90 -4.94 115.29 123.54 1jho s HIS 111 Ca 0.23 -1.37 -0.15 0.00 -0.15 0.00 0.00 55.06 53.62 1jho s HIS 111 Cb -0.15 -2.12 -0.04 0.00 1.11 0.00 0.00 32.58 31.39 1jho s HIS 111 CO 0.08 -0.68 0.36 0.08 -0.85 0.00 0.00 174.74 173.74 1jho s VAL 112 N 1.38 5.19 -0.14 -0.90 1.01 -1.26 -0.30 120.40 125.38 1jho s VAL 112 Ca 0.01 0.55 0.02 0.00 0.00 0.00 0.00 61.98 62.56 1jho s VAL 112 Cb -0.17 -3.69 0.01 0.00 0.00 0.00 0.00 36.38 32.53 1jho s VAL 112 CO -0.02 0.17 -0.21 -0.63 0.00 0.00 0.00 175.10 174.40 1jho s ILE 113 N 2.00 2.14 -0.43 2.22 1.01 0.58 -0.95 121.20 127.77 1jho s ILE 113 Ca 0.15 -0.96 -0.21 0.00 0.00 0.00 0.00 60.65 59.63 1jho s ILE 113 Cb -0.16 -1.86 0.02 0.00 0.01 0.00 0.00 42.46 40.48 1jho s ILE 113 CO 0.10 0.55 0.66 -0.62 0.00 0.00 0.00 174.94 175.63 1jho s ASP 114 N 0.79 6.35 0.00 3.58 3.68 0.11 -0.90 116.67 130.28 1jho s ASP 114 Ca -0.08 -0.24 0.19 0.00 2.13 0.00 0.00 52.55 54.55 1jho s ASP 114 Cb -0.16 -2.33 0.13 0.00 -1.45 0.00 0.00 42.92 39.11 1jho s ASP 114 CO -0.01 -0.78 1.07 1.33 0.13 0.00 0.00 175.17 176.91 1jho n VAL 115 N 5.86 0.00 0.00 1.11 0.24 0.39 -0.82 118.33 125.10 1jho n VAL 115 Ca -0.01 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 1jho n VAL 115 Cb 0.48 1.37 0.00 0.00 -1.47 0.00 0.00 33.84 34.22 1jho n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jho n GLY 116 N 1.07 0.00 3.75 7.63 0.00 -1.07 -0.93 105.19 115.64 1jho n GLY 116 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1jho n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jho s ILE 117 N 0.00 3.75 -1.23 -0.61 1.01 -1.26 -0.96 121.20 121.91 1jho s ILE 117 Ca 0.00 1.65 -0.12 0.00 0.00 0.00 0.00 60.65 62.18 1jho s ILE 117 Cb 0.00 -4.05 0.18 0.00 0.01 0.00 0.00 42.46 38.59 1jho s ILE 117 CO 0.00 0.35 1.58 -0.67 0.00 0.00 0.00 174.94 176.20 1jho n ASP 118 N 1.74 5.22 -3.59 3.58 4.64 -1.26 -4.22 116.55 122.67 1jho n ASP 118 Ca 0.00 -3.04 -0.01 0.00 -1.38 0.00 0.00 54.79 50.37 1jho n ASP 118 Cb 0.46 -1.53 0.01 0.00 -1.04 0.00 0.00 41.12 39.02 1jho n ASP 118 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1jho s ALA 119 N 0.95 -1.98 0.71 -1.67 0.00 -1.26 -4.99 121.76 113.53 1jho s ALA 119 Ca 0.41 -0.01 -0.13 0.00 0.00 0.00 0.00 51.96 52.23 1jho s ALA 119 Cb 0.01 0.73 0.03 0.00 0.00 0.00 0.00 23.12 23.89 1jho s ALA 119 CO 0.00 -1.09 1.11 -1.21 0.00 0.00 0.00 175.76 174.58 1jho s GLU 120 N -2.28 2.48 0.48 0.00 2.02 -1.26 -4.94 118.70 115.20 1jho s GLU 120 Ca 0.22 1.36 -0.24 0.00 0.02 0.00 0.00 54.97 56.33 1jho s GLU 120 Cb -0.01 -1.91 -0.07 0.00 0.10 0.00 0.00 34.13 32.24 1jho s GLU 120 CO 0.02 -1.50 1.40 -2.30 0.02 0.00 0.00 175.26 172.90 1jho n PRO 121 N -2.89 2.05 -3.82 0.39 -0.02 -1.26 -4.98 135.00 124.47 1jho n PRO 121 Ca 0.10 0.74 -0.36 0.00 -2.02 0.00 0.00 63.50 61.96 1jho n PRO 121 Cb 0.52 -2.60 -0.11 0.00 -0.02 0.00 0.00 33.50 31.29 1jho n PRO 121 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1jho s ILE 122 N -1.22 4.69 0.32 4.25 1.01 -1.26 -5.07 121.20 123.92 1jho s ILE 122 Ca 0.65 -0.05 -0.29 0.00 0.00 0.00 0.00 60.65 60.96 1jho s ILE 122 Cb -0.44 -3.17 -0.10 0.00 0.01 0.00 0.00 42.46 38.75 1jho s ILE 122 CO 0.55 0.37 1.38 -2.84 0.00 0.00 0.00 174.94 174.39 1jho s PRO 123 N 1.16 4.28 0.00 2.79 0.02 -1.26 -2.09 135.00 139.90 1jho s PRO 123 Ca 0.05 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.39 1jho s PRO 123 Cb -0.14 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.32 1jho s PRO 123 CO 0.04 -0.32 0.00 0.41 -0.33 0.00 0.00 177.00 176.80 1jho n GLY 124 N 1.05 2.46 3.76 0.52 0.00 -1.26 -5.04 105.19 106.69 1jho n GLY 124 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1jho n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jho s VAL 125 N -2.43 5.19 0.07 1.61 1.01 -0.89 -4.89 120.40 120.07 1jho s VAL 125 Ca 0.00 0.79 -0.31 0.00 0.00 0.00 0.00 61.98 62.46 1jho s VAL 125 Cb 0.00 -3.73 -0.08 0.00 0.00 0.00 0.00 36.38 32.58 1jho s VAL 125 CO 0.00 0.42 1.56 0.54 0.00 0.00 0.00 175.10 177.62 1jho s VAL 126 N 0.09 3.17 -0.37 2.92 0.11 -0.12 -4.83 120.40 121.36 1jho s VAL 126 Ca 0.22 0.67 -0.20 0.00 -2.93 0.00 0.00 61.98 59.74 1jho s VAL 126 Cb -0.15 -3.43 0.01 0.00 -1.53 0.00 0.00 36.38 31.28 1jho s VAL 126 CO 0.09 0.01 0.61 0.21 -3.33 0.00 0.00 175.10 172.69 1jho s ASN 127 N 2.02 6.38 -0.03 3.54 3.84 -1.26 0.10 114.94 129.52 1jho s ASN 127 Ca 0.70 -0.01 0.25 0.00 0.21 0.00 0.00 52.86 54.00 1jho s ASN 127 Cb -0.38 -2.31 0.43 0.00 -0.55 0.00 0.00 41.25 38.44 1jho s ASN 127 CO 0.31 -0.62 1.17 0.23 -2.79 0.00 0.00 177.10 175.40 1jho n MET 128 N 6.03 0.24 -1.69 0.43 2.81 -0.00 -4.96 117.12 119.98 1jho n MET 128 Ca -0.02 -2.20 -0.43 0.00 -1.81 0.00 0.00 57.70 53.24 1jho n MET 128 Cb 0.48 -0.23 -0.03 0.00 -0.71 0.00 0.00 33.22 32.73 1jho n MET 128 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 1jho n ARG 129 N 0.30 2.70 0.01 0.03 1.85 -0.55 -4.43 116.66 116.57 1jho n ARG 129 Ca 0.07 0.98 -0.18 0.00 -1.00 0.00 0.00 57.85 57.72 1jho n ARG 129 Cb 1.09 -2.87 -0.14 0.00 -1.05 0.00 0.00 32.46 29.50 1jho n ARG 129 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1jho h VAL 130 N 4.69 1.54 -2.57 8.89 2.07 -1.32 -3.46 116.25 126.08 1jho h VAL 130 Ca -0.47 -2.46 0.14 0.00 0.82 0.00 0.00 66.70 64.73 1jho h VAL 130 Cb 1.23 3.19 -0.06 0.00 -1.52 0.00 0.00 31.29 34.12 1jho h VAL 130 CO 0.94 0.67 0.41 0.00 0.02 0.00 0.00 177.57 179.62 1jho s ALA 131 N -2.37 -1.47 -1.29 1.67 0.00 -1.26 -5.06 121.76 111.98 1jho s ALA 131 Ca -0.16 -0.09 -0.18 0.00 0.00 0.00 0.00 51.96 51.53 1jho s ALA 131 Cb 0.00 0.71 0.03 0.00 0.00 0.00 0.00 23.12 23.86 1jho s ALA 131 CO 0.78 -1.04 1.90 0.54 0.00 0.00 0.00 175.76 177.94 1jho n ARG 132 N -0.49 2.79 0.00 0.00 5.12 -1.26 -4.15 116.66 118.66 1jho n ARG 132 Ca -0.05 -2.90 0.00 0.00 -1.93 0.00 0.00 57.85 52.96 1jho n ARG 132 Cb 0.60 -3.44 0.00 0.00 -1.16 0.00 0.00 32.46 28.46 1jho n ARG 132 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jho n GLY 133 N 5.06 -1.61 3.97 -0.13 0.00 -0.50 -4.61 105.19 107.37 1jho n GLY 133 Ca 0.49 -1.44 -0.22 0.00 0.00 0.00 0.00 46.02 44.85 1jho n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jho s GLY 135 N -4.49 2.15 -0.58 0.00 0.00 0.24 -1.24 107.32 103.40 1jho s GLY 135 Ca 0.59 0.66 -0.28 0.00 0.00 0.00 0.00 44.72 45.69 1jho s GLY 135 CO 0.40 1.04 1.43 0.21 0.00 0.00 0.00 173.10 176.18 1jho s ASN 136 N -2.44 6.08 0.53 1.64 2.47 -1.26 -3.96 114.94 118.00 1jho s ASN 136 Ca 0.69 0.22 0.32 0.00 0.42 0.00 0.00 52.86 54.52 1jho s ASN 136 Cb -0.24 -2.55 1.77 0.00 -1.45 0.00 0.00 41.25 38.78 1jho s ASN 136 CO 0.46 -1.76 1.99 0.16 -3.72 0.00 0.00 177.10 174.22 1jho h ILE 137 N 6.37 0.00 0.00 -5.21 3.07 -1.83 -1.83 117.51 118.09 1jho h ILE 137 Ca -0.27 0.00 -0.04 0.00 1.55 0.00 0.00 64.86 66.10 1jho h ILE 137 Cb 1.09 0.72 -0.01 0.00 -0.27 0.00 0.00 36.82 38.36 1jho h ILE 137 CO 1.19 0.00 -0.18 0.00 -1.05 0.00 0.00 178.15 178.11 1jho h ALA 138 N 1.82 1.23 0.00 0.16 0.00 -1.89 -3.26 119.26 117.31 1jho h ALA 138 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1jho h ALA 138 Cb 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1jho h ALA 138 CO 0.00 0.22 0.00 1.33 0.00 0.00 0.00 179.25 180.80 1jho n VAL 139 N -3.63 0.10 -3.21 0.00 0.24 -0.71 -4.41 118.33 106.71 1jho n VAL 139 Ca -0.01 -0.52 0.00 0.00 -2.04 0.00 0.00 64.34 61.76 1jho n VAL 139 Cb 0.31 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.68 1jho n VAL 139 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jho n GLY 140 N -0.05 -1.24 3.82 7.63 0.00 -1.06 -5.04 105.19 109.24 1jho n GLY 140 Ca 0.00 -0.88 -0.33 0.00 0.00 0.00 0.00 46.02 44.81 1jho n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jho s PRO 141 N -0.43 3.66 0.23 1.61 0.04 -1.26 -3.61 135.00 135.25 1jho s PRO 141 Ca 0.00 1.13 -0.02 0.00 0.04 0.00 0.00 61.00 62.16 1jho s PRO 141 Cb 0.00 -2.09 0.25 0.00 0.04 0.00 0.00 34.50 32.70 1jho s PRO 141 CO 0.00 -0.52 1.64 0.00 0.04 0.00 0.00 177.00 178.16 1jho h ALA 142 N 0.85 0.92 -2.68 8.56 0.00 -0.91 -3.39 119.26 122.61 1jho h ALA 142 Ca -0.47 -0.39 0.11 0.00 0.00 0.00 0.00 54.91 54.16 1jho h ALA 142 Cb 1.21 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1jho h ALA 142 CO 0.59 0.62 0.49 0.00 0.00 0.00 0.00 179.25 180.95 1jho s MET 143 N -4.46 1.60 0.40 0.00 0.23 -0.71 -0.60 119.30 115.75 1jho s MET 143 Ca -0.08 -1.03 -0.09 0.00 -1.03 0.00 0.00 55.69 53.46 1jho s MET 143 Cb 0.13 0.45 -0.06 0.00 -1.53 0.00 0.00 34.83 33.82 1jho s MET 143 CO 0.82 -0.75 0.74 -1.54 -2.03 0.00 0.00 175.02 172.26 1jho s SER 144 N -3.31 6.48 0.24 -1.18 1.04 -1.26 -4.52 113.70 111.19 1jho s SER 144 Ca 0.20 1.05 -0.05 0.00 0.48 0.00 0.00 55.95 57.62 1jho s SER 144 Cb -0.03 -2.29 0.35 0.00 0.10 0.00 0.00 66.02 64.15 1jho s SER 144 CO 0.07 -0.39 1.83 -0.09 0.98 0.00 0.00 173.24 175.64 1jho h ARG 145 N 1.19 0.86 -0.39 4.02 2.43 -1.93 -1.16 114.38 119.40 1jho h ARG 145 Ca -0.47 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 58.70 1jho h ARG 145 Cb 1.19 -0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 30.50 1jho h ARG 145 CO 0.64 0.57 0.13 -0.07 -1.51 0.00 0.00 179.97 179.72 1jho h LEU 146 N 0.89 0.12 -0.88 3.80 4.07 -1.99 0.14 115.31 121.46 1jho h LEU 146 Ca 0.38 0.05 0.02 0.00 0.08 0.00 0.00 57.88 58.41 1jho h LEU 146 Cb 0.24 0.04 -0.05 0.00 1.08 0.00 0.00 40.66 41.97 1jho h LEU 146 CO -0.20 0.10 0.57 1.56 -1.08 0.00 0.00 178.44 179.40 1jho h GLN 147 N 0.28 1.10 -0.23 1.13 4.20 -1.67 -0.75 115.11 119.17 1jho h GLN 147 Ca 0.18 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 1jho h GLN 147 Cb 0.18 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1jho h GLN 147 CO -0.20 0.73 0.02 0.00 -0.67 0.00 0.00 178.83 178.72 1jho h ALA 148 N 1.35 0.31 -0.56 3.87 0.00 -0.47 -2.61 119.26 121.15 1jho h ALA 148 Ca 0.34 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1jho h ALA 148 Cb -0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1jho h ALA 148 CO -0.10 0.01 0.35 0.93 0.00 0.00 0.00 179.25 180.44 1jho h GLU 149 N 0.18 0.75 -0.50 0.00 5.08 -0.65 -1.20 114.58 118.23 1jho h GLU 149 Ca 0.07 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1jho h GLU 149 Cb 0.36 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1jho h GLU 149 CO 0.01 0.52 0.27 0.00 -1.00 0.00 0.00 179.01 178.80 1jho h ALA 150 N 1.19 0.65 -0.47 3.43 0.00 -1.14 -1.60 119.26 121.31 1jho h ALA 150 Ca 0.20 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1jho h ALA 150 Cb -0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1jho h ALA 150 CO -0.04 0.18 0.15 1.25 0.00 0.00 0.00 179.25 180.79 1jho h LEU 151 N 0.67 0.68 -0.57 0.00 5.85 -1.25 0.46 115.31 121.16 1jho h LEU 151 Ca 0.18 -0.21 0.10 0.00 0.84 0.00 0.00 57.88 58.79 1jho h LEU 151 Cb 0.07 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 40.84 1jho h LEU 151 CO -0.03 0.71 0.12 -0.07 -0.34 0.00 0.00 178.44 178.84 1jho h LEU 152 N 0.62 0.01 0.41 2.25 3.38 -0.98 0.19 115.31 121.21 1jho h LEU 152 Ca 0.15 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1jho h LEU 152 Cb 0.27 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1jho h LEU 152 CO -0.00 0.02 -0.26 0.25 0.09 0.00 0.00 178.44 178.54 1jho h LEU 153 N 0.26 -0.65 -0.08 1.67 7.12 -0.82 -0.21 115.31 122.60 1jho h LEU 153 Ca 0.30 0.04 0.01 0.00 0.13 0.00 0.00 57.88 58.36 1jho h LEU 153 Cb 0.42 0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 40.73 1jho h LEU 153 CO -0.38 -0.41 -0.01 -0.08 -0.13 0.00 0.00 178.44 177.43 1jho h GLU 154 N -0.64 0.01 -0.60 1.25 4.81 -0.49 -2.11 114.58 116.80 1jho h GLU 154 Ca -0.04 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 1jho h GLU 154 Cb 0.53 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 1jho h GLU 154 CO 0.04 0.01 0.21 0.28 -0.73 0.00 0.00 179.01 178.82 1jho h VAL 155 N 0.01 1.24 -0.57 0.32 2.07 -0.98 -1.87 116.25 116.47 1jho h VAL 155 Ca 0.04 -0.79 0.11 0.00 0.82 0.00 0.00 66.70 66.88 1jho h VAL 155 Cb 0.05 0.62 -0.09 0.00 -1.52 0.00 0.00 31.29 30.35 1jho h VAL 155 CO -0.07 0.30 0.08 0.28 0.02 0.00 0.00 177.57 178.18 1jho h SER 156 N 0.85 -0.08 -0.17 0.57 0.02 -0.87 -0.99 113.55 112.89 1jho h SER 156 Ca 0.20 0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 61.20 1jho h SER 156 Cb 0.26 0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 1jho h SER 156 CO -0.01 -0.02 -0.13 0.03 -1.14 0.00 0.00 176.83 175.56 1jho h ARG 157 N 0.21 0.39 -0.47 3.45 3.08 -1.17 -2.60 114.38 117.26 1jho h ARG 157 Ca 0.30 -0.19 0.09 0.00 0.07 0.00 0.00 59.98 60.25 1jho h ARG 157 Cb 0.45 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.42 1jho h ARG 157 CO -0.41 0.73 0.03 -0.92 -1.07 0.00 0.00 179.97 178.33 1jho h TYR 158 N 0.05 0.04 -0.04 3.04 3.20 -0.87 -0.25 116.97 122.14 1jho h TYR 158 Ca 0.03 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.97 1jho h TYR 158 Cb 0.64 0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.92 1jho h TYR 158 CO 0.07 -0.07 -0.23 1.15 -1.64 0.00 0.00 178.16 177.45 1jho h THR 159 N 0.15 0.46 -0.22 1.81 2.02 -1.14 -1.96 112.91 114.04 1jho h THR 159 Ca 0.24 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.35 1jho h THR 159 Cb 0.34 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1jho h THR 159 CO -0.36 0.00 -0.17 0.00 0.37 0.00 0.00 175.52 175.36 1jho h ASP 161 N 0.35 1.01 -0.71 0.00 2.03 -0.55 -1.33 116.42 117.22 1jho h ASP 161 Ca 0.06 -0.06 0.01 0.00 -0.73 0.00 0.00 57.03 56.30 1jho h ASP 161 Cb 0.50 -0.25 -0.04 0.00 -0.83 0.00 0.00 39.33 38.71 1jho h ASP 161 CO 0.03 0.78 0.46 -0.07 -1.03 0.00 0.00 179.24 179.42 1jho h LEU 162 N 1.15 0.82 -1.24 0.15 3.38 -0.89 -0.88 115.31 117.80 1jho h LEU 162 Ca 0.30 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.32 1jho h LEU 162 Cb -0.03 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.46 1jho h LEU 162 CO -0.05 0.60 0.55 0.00 0.09 0.00 0.00 178.44 179.63 1jho h ALA 163 N 1.55 1.62 -0.18 1.53 0.00 -1.14 0.90 119.26 123.53 1jho h ALA 163 Ca 0.26 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1jho h ALA 163 Cb -0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1jho h ALA 163 CO -0.05 0.23 0.12 0.37 0.00 0.00 0.00 179.25 179.92 1jho h GLN 164 N 0.89 0.21 -0.62 0.00 4.15 -0.91 -2.16 115.11 116.66 1jho h GLN 164 Ca 0.38 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.78 1jho h GLN 164 Cb 0.30 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.95 1jho h GLN 164 CO -0.14 0.14 0.00 0.54 -1.93 0.00 0.00 178.83 177.43 1jho n ARG 165 N -4.51 2.21 0.00 1.69 1.74 0.30 -4.89 116.66 113.20 1jho n ARG 165 Ca 0.00 -1.18 0.00 0.00 -0.77 0.00 0.00 57.85 55.90 1jho n ARG 165 Cb 0.10 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 29.97 1jho n ARG 165 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jho n GLY 166 N 0.53 0.63 3.71 -0.13 0.00 -0.81 -5.02 105.19 104.11 1jho n GLY 166 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1jho n GLY 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jho s VAL 167 N -2.11 3.70 -0.05 1.61 1.01 -1.15 -2.21 120.40 121.22 1jho s VAL 167 Ca 0.00 1.21 0.01 0.00 0.00 0.00 0.00 61.98 63.20 1jho s VAL 167 Cb 0.00 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 1jho s VAL 167 CO 0.00 0.08 0.05 0.35 0.00 0.00 0.00 175.10 175.58 1jho n THR 168 N 4.03 0.00 -3.88 3.92 -2.24 0.07 -4.32 114.28 111.85 1jho n THR 168 Ca 0.10 -0.34 -0.19 0.00 -2.27 0.00 0.00 64.05 61.35 1jho n THR 168 Cb 0.44 0.85 -0.17 0.00 -2.10 0.00 0.00 70.33 69.36 1jho n THR 168 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1jho s LEU 169 N -2.36 0.94 0.25 3.22 2.96 -1.15 -4.14 118.68 118.41 1jho s LEU 169 Ca 0.00 -0.03 0.10 0.00 -0.22 0.00 0.00 54.13 53.98 1jho s LEU 169 Cb 0.01 -0.27 -0.04 0.00 0.50 0.00 0.00 46.19 46.39 1jho s LEU 169 CO 0.06 -0.13 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.55 1jho s PHE 170 N 1.34 2.64 0.02 5.38 0.40 -0.83 -1.88 117.98 125.04 1jho s PHE 170 Ca -0.05 -0.23 0.03 0.00 -0.60 0.00 0.00 56.93 56.07 1jho s PHE 170 Cb -0.13 -1.18 -0.02 0.00 0.51 0.00 0.00 43.02 42.20 1jho s PHE 170 CO -0.02 0.62 -0.08 0.20 0.70 0.00 0.00 175.22 176.63 1jho s GLY 171 N -3.52 0.48 0.11 4.36 0.00 -0.10 -0.24 107.32 108.40 1jho s GLY 171 Ca 0.30 -0.57 0.08 0.00 0.00 0.00 0.00 44.72 44.53 1jho s GLY 171 CO 0.19 -0.57 -0.14 -1.34 0.00 0.00 0.00 173.10 171.24 1jho s VAL 172 N -0.76 3.13 0.33 1.40 -7.23 -1.08 -1.59 120.40 114.59 1jho s VAL 172 Ca -0.03 -1.37 -0.16 0.00 -1.81 0.00 0.00 61.98 58.61 1jho s VAL 172 Cb -0.06 -2.45 0.03 0.00 0.56 0.00 0.00 36.38 34.45 1jho s VAL 172 CO 0.00 0.11 0.69 -0.83 -0.31 0.00 0.00 175.10 174.76 1jho s GLY 173 N -2.18 0.36 0.32 2.32 0.00 -0.28 -4.03 107.32 103.83 1jho s GLY 173 Ca 0.20 -0.70 -0.06 0.00 0.00 0.00 0.00 44.72 44.16 1jho s GLY 173 CO 0.12 -0.35 0.49 -1.83 0.00 0.00 0.00 173.10 171.53 1jho s GLU 174 N -3.19 1.84 -0.26 2.90 4.04 -1.26 -0.92 118.70 121.86 1jho s GLU 174 Ca 0.17 -1.63 -0.13 0.00 0.04 0.00 0.00 54.97 53.41 1jho s GLU 174 Cb -0.04 0.46 0.08 0.00 0.02 0.00 0.00 34.13 34.65 1jho s GLU 174 CO 0.11 -0.77 0.61 -1.17 -1.84 0.00 0.00 175.26 172.20 1jho s LEU 175 N -3.18 -0.80 0.00 1.83 2.96 -0.80 -2.55 118.68 116.14 1jho s LEU 175 Ca 0.28 1.38 0.00 0.00 -0.22 0.00 0.00 54.13 55.57 1jho s LEU 175 Cb -0.01 2.12 0.00 0.00 0.50 0.00 0.00 46.19 48.80 1jho s LEU 175 CO 0.17 -0.23 0.00 0.61 -1.32 0.00 0.00 176.35 175.58 1jho n GLY 176 N 4.56 -0.22 3.65 7.98 0.00 -1.26 -1.90 105.19 118.00 1jho n GLY 176 Ca -0.19 0.74 -0.46 0.00 0.00 0.00 0.00 46.02 46.12 1jho n GLY 176 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jho n MET 177 N 0.00 1.88 -0.59 1.61 2.81 -1.26 -1.02 117.12 120.54 1jho n MET 177 Ca 0.00 0.67 0.00 0.00 -1.81 0.00 0.00 57.70 56.56 1jho n MET 177 Cb 0.00 -2.30 0.00 0.00 -0.71 0.00 0.00 33.22 30.21 1jho n MET 177 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1jho n ALA 178 N 1.86 0.00 0.32 3.04 0.00 -1.26 -4.37 120.51 120.10 1jho n ALA 178 Ca 0.12 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.77 1jho n ALA 178 Cb 0.30 0.00 1.08 0.00 0.00 0.00 0.00 19.45 20.84 1jho n ALA 178 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1jho h ASN 179 N 0.00 0.00 0.87 0.00 7.08 -1.47 -2.02 115.58 120.03 1jho h ASN 179 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1jho h ASN 179 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 1jho h ASN 179 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 177.43 175.70 1jho n THR 180 N -3.03 0.71 0.11 6.14 -2.24 -1.26 -2.57 114.28 112.14 1jho n THR 180 Ca -0.02 0.10 -0.09 0.00 -2.27 0.00 0.00 64.05 61.76 1jho n THR 180 Cb 0.11 -0.91 -0.06 0.00 -2.10 0.00 0.00 70.33 67.37 1jho n THR 180 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1jho h THR 181 N 0.00 0.44 -0.31 4.28 2.02 -1.74 -1.15 112.91 116.45 1jho h THR 181 Ca 0.00 -0.89 -0.01 0.00 0.77 0.00 0.00 66.41 66.27 1jho h THR 181 Cb 0.43 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 1jho h THR 181 CO 0.00 0.11 0.13 1.55 0.37 0.00 0.00 175.52 177.68 1jho h PRO 182 N -0.99 0.42 -0.15 6.66 0.13 -1.71 -1.46 132.00 134.90 1jho h PRO 182 Ca -0.04 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1jho h PRO 182 Cb 0.45 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.49 1jho h PRO 182 CO 0.06 0.35 0.09 0.00 -0.23 0.00 0.00 178.00 178.27 1jho h ALA 183 N 1.72 0.19 -0.63 -0.56 0.00 -1.55 0.36 119.26 118.79 1jho h ALA 183 Ca 0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1jho h ALA 183 Cb 0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1jho h ALA 183 CO -0.01 -0.30 0.34 0.00 0.00 0.00 0.00 179.25 179.27 1jho h ALA 184 N 1.01 1.41 -0.13 0.00 0.00 -0.57 -1.20 119.26 119.77 1jho h ALA 184 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1jho h ALA 184 Cb 0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1jho h ALA 184 CO -0.01 0.48 0.08 0.00 0.00 0.00 0.00 179.25 179.81 1jho h ALA 185 N 1.49 0.17 -0.37 0.00 0.00 -0.64 -0.35 119.26 119.56 1jho h ALA 185 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1jho h ALA 185 Cb 0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1jho h ALA 185 CO -0.04 -0.34 0.23 0.52 0.00 0.00 0.00 179.25 179.63 1jho h MET 186 N 0.16 0.50 -0.49 0.00 2.86 -0.59 -1.84 114.93 115.53 1jho h MET 186 Ca 0.05 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.69 1jho h MET 186 Cb -0.00 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.51 1jho h MET 186 CO -0.01 0.36 0.24 0.28 1.06 0.00 0.00 176.91 178.84 1jho h VAL 187 N 0.49 0.94 -0.09 -2.22 2.07 -0.98 0.93 116.25 117.40 1jho h VAL 187 Ca 0.13 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.53 1jho h VAL 187 Cb -0.02 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.15 1jho h VAL 187 CO -0.03 0.08 -0.14 -1.28 0.02 0.00 0.00 177.57 176.23 1jho h SER 188 N 0.46 -0.41 0.53 0.57 0.87 -0.84 0.04 113.55 114.77 1jho h SER 188 Ca 0.22 0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.83 1jho h SER 188 Cb 0.14 0.19 0.01 0.00 -0.44 0.00 0.00 62.40 62.30 1jho h SER 188 CO -0.16 -0.18 -0.25 0.58 -0.53 0.00 0.00 176.83 176.28 1jho h VAL 189 N -0.18 0.48 -0.49 2.23 2.07 -0.76 0.24 116.25 119.84 1jho h VAL 189 Ca 0.08 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 1jho h VAL 189 Cb 0.29 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1jho h VAL 189 CO -0.20 0.01 0.16 -0.26 0.02 0.00 0.00 177.57 177.30 1jho h PHE 190 N -0.73 0.72 0.00 1.57 0.04 -0.77 -3.17 116.94 114.61 1jho h PHE 190 Ca -0.07 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.65 1jho h PHE 190 Cb 0.55 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.48 1jho h PHE 190 CO -0.03 0.59 -0.97 0.25 -0.60 0.00 0.00 178.31 177.54 1jho n THR 191 N -4.32 0.01 -1.40 -1.55 -2.24 -0.01 -4.97 114.28 99.81 1jho n THR 191 Ca 0.04 -0.05 -0.09 0.00 -2.27 0.00 0.00 64.05 61.68 1jho n THR 191 Cb 0.18 0.75 -0.03 0.00 -2.10 0.00 0.00 70.33 69.13 1jho n THR 191 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jho n GLY 192 N 1.48 0.90 3.88 3.38 0.00 0.81 -5.01 105.19 110.63 1jho n GLY 192 Ca 0.04 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 45.12 1jho n GLY 192 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jho s SER 193 N -2.86 6.59 0.39 1.61 0.01 -0.98 -5.03 113.70 113.43 1jho s SER 193 Ca 0.00 0.85 -0.26 0.00 1.31 0.00 0.00 55.95 57.85 1jho s SER 193 Cb 0.00 -2.20 -0.09 0.00 0.21 0.00 0.00 66.02 63.95 1jho s SER 193 CO 0.00 -0.05 1.20 -0.62 0.41 0.00 0.00 173.24 174.18 1jho s ASP 194 N -2.40 6.52 0.31 2.44 -1.08 -1.26 -4.56 116.67 116.63 1jho s ASP 194 Ca 0.46 2.43 0.07 0.00 -0.52 0.00 0.00 52.55 54.98 1jho s ASP 194 Cb -0.11 -2.62 0.85 0.00 -1.46 0.00 0.00 42.92 39.58 1jho s ASP 194 CO 0.22 -0.68 1.66 0.00 0.52 0.00 0.00 175.17 176.88 1jho h ALA 195 N 2.73 1.54 -0.51 3.66 0.00 -1.94 0.16 119.26 124.91 1jho h ALA 195 Ca -0.49 0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.66 1jho h ALA 195 Cb 1.24 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 1jho h ALA 195 CO 0.63 -0.49 0.34 1.57 0.00 0.00 0.00 179.25 181.30 1jho h LYS 196 N 0.27 0.54 0.00 0.00 2.10 -1.91 -1.39 116.57 116.18 1jho h LYS 196 Ca 0.62 -0.03 -0.08 0.00 -2.00 0.00 0.00 60.65 59.15 1jho h LYS 196 Cb 1.31 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 32.51 1jho h LYS 196 CO -0.63 0.35 -0.40 0.93 -2.00 0.00 0.00 179.45 177.70 1jho h GLU 197 N 0.55 0.00 -0.09 0.07 5.08 -1.04 -3.30 114.58 115.85 1jho h GLU 197 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1jho h GLU 197 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1jho h GLU 197 CO -0.05 0.40 0.00 1.33 -1.00 0.00 0.00 179.01 179.69 1jho n VAL 198 N -3.80 0.67 -3.35 3.13 0.24 -0.86 -4.28 118.33 110.08 1jho n VAL 198 Ca -0.01 -0.84 -0.38 0.00 -2.04 0.00 0.00 64.34 61.07 1jho n VAL 198 Cb 0.47 0.69 -0.07 0.00 -1.47 0.00 0.00 33.84 33.46 1jho n VAL 198 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1jho s VAL 199 N -0.79 5.17 0.18 3.34 1.01 -0.58 -3.87 120.40 124.86 1jho s VAL 199 Ca 0.08 0.77 0.01 0.00 0.00 0.00 0.00 61.98 62.84 1jho s VAL 199 Cb 0.04 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.67 1jho s VAL 199 CO 0.06 0.23 0.09 0.61 0.00 0.00 0.00 175.10 176.09 1jho n GLY 200 N 3.95 3.28 0.08 4.51 0.00 -1.26 -4.79 105.19 110.95 1jho n GLY 200 Ca -0.07 -2.23 0.15 0.00 0.00 0.00 0.00 46.02 43.87 1jho n GLY 200 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1jho n ILE 201 N -0.77 0.00 -1.01 -0.61 -5.35 -1.26 -4.95 119.36 105.41 1jho n ILE 201 Ca -0.03 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 1jho n ILE 201 Cb 0.21 -0.32 0.00 0.00 -1.74 0.00 0.00 39.64 37.79 1jho n ILE 201 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jho n GLY 202 N 1.10 2.67 3.04 3.28 0.00 -1.26 0.21 105.19 114.22 1jho n GLY 202 Ca 0.21 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1jho n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jho n ALA 203 N 8.40 4.90 -3.29 4.61 0.00 -1.26 -4.49 120.51 129.38 1jho n ALA 203 Ca 0.00 -4.19 -0.17 0.00 0.00 0.00 0.00 53.44 49.08 1jho n ALA 203 Cb 0.00 -3.14 0.06 0.00 0.00 0.00 0.00 19.45 16.37 1jho n ALA 203 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jho n ASN 204 N 5.01 -5.10 -4.73 0.00 3.02 -1.08 -4.71 115.26 107.67 1jho n ASN 204 Ca 0.42 -0.39 -0.42 0.00 -0.03 0.00 0.00 54.58 54.16 1jho n ASN 204 Cb 0.39 -3.79 -0.03 0.00 -0.61 0.00 0.00 39.78 35.74 1jho n ASN 204 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1jho s LEU 205 N -5.57 4.40 0.32 3.41 2.96 0.13 -4.89 118.68 119.45 1jho s LEU 205 Ca 0.41 2.30 -0.29 0.00 -0.22 0.00 0.00 54.13 56.33 1jho s LEU 205 Cb -0.18 -3.60 -0.11 0.00 0.50 0.00 0.00 46.19 42.79 1jho s LEU 205 CO 0.53 -0.52 1.55 -2.65 -1.32 0.00 0.00 176.35 173.94 1jho n PRO 206 N 3.11 2.69 -0.31 0.98 -0.02 -1.26 -4.81 135.00 135.38 1jho n PRO 206 Ca 0.08 0.95 0.28 0.00 -2.02 0.00 0.00 63.50 62.79 1jho n PRO 206 Cb 0.43 -2.71 0.62 0.00 -0.02 0.00 0.00 33.50 31.82 1jho n PRO 206 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1jho h PRO 207 N 4.10 0.20 -0.48 0.52 0.13 -1.99 0.62 132.00 135.10 1jho h PRO 207 Ca -0.48 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.59 1jho h PRO 207 Cb 1.23 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1jho h PRO 207 CO 0.74 0.13 0.11 0.66 -0.23 0.00 0.00 178.00 179.41 1jho h SER 208 N 0.21 0.73 0.17 1.44 4.64 -2.03 -2.99 113.55 115.72 1jho h SER 208 Ca 0.57 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1jho h SER 208 Cb 1.81 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 1jho h SER 208 CO -0.16 0.78 0.00 0.54 -0.87 0.00 0.00 176.83 177.11 1jho n ARG 209 N -4.48 0.31 0.15 4.77 1.74 0.20 -3.89 116.66 115.46 1jho n ARG 209 Ca 0.01 0.09 -0.14 0.00 -0.77 0.00 0.00 57.85 57.04 1jho n ARG 209 Cb 0.22 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.09 1jho n ARG 209 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1jho h ILE 210 N 0.00 0.75 -0.89 0.55 2.04 -1.48 -2.91 117.51 115.57 1jho h ILE 210 Ca 0.00 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.10 1jho h ILE 210 Cb 0.09 0.75 -0.15 0.00 -0.74 0.00 0.00 36.82 36.77 1jho h ILE 210 CO 0.00 0.00 0.23 0.44 0.00 0.00 0.00 178.15 178.82 1jho h ASP 211 N -0.31 -0.02 -0.22 1.72 3.32 -1.81 0.32 116.42 119.41 1jho h ASP 211 Ca -0.02 0.21 0.02 0.00 0.02 0.00 0.00 57.03 57.25 1jho h ASP 211 Cb 0.25 0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 1jho h ASP 211 CO 0.03 -0.18 0.07 -1.13 -1.72 0.00 0.00 179.24 176.32 1jho h ASN 212 N 0.19 0.08 -1.00 6.45 -1.24 -1.79 -0.40 115.58 117.88 1jho h ASN 212 Ca 0.57 0.02 0.05 0.00 0.71 0.00 0.00 56.30 57.65 1jho h ASN 212 Cb 1.16 0.01 -0.06 0.00 0.73 0.00 0.00 38.32 40.16 1jho h ASN 212 CO -0.68 0.08 0.65 0.50 -1.29 0.00 0.00 177.43 176.69 1jho h LYS 213 N 0.17 1.17 -0.55 6.67 3.64 -0.31 -1.06 116.57 126.30 1jho h LYS 213 Ca 0.09 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 1jho h LYS 213 Cb 0.06 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 1jho h LYS 213 CO -0.10 0.77 0.14 0.28 -2.27 0.00 0.00 179.45 178.27 1jho h VAL 214 N 1.20 1.25 -0.52 2.00 2.07 -0.43 -2.40 116.25 119.42 1jho h VAL 214 Ca 0.42 -0.87 0.02 0.00 0.82 0.00 0.00 66.70 67.08 1jho h VAL 214 Cb 0.11 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1jho h VAL 214 CO -0.15 0.32 0.33 0.44 0.02 0.00 0.00 177.57 178.52 1jho h ASP 215 N 0.78 0.55 -0.62 0.57 3.32 -0.26 -2.35 116.42 118.41 1jho h ASP 215 Ca 0.17 -0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.27 1jho h ASP 215 Cb 0.34 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.71 1jho h ASP 215 CO 0.00 0.39 0.34 0.58 -1.72 0.00 0.00 179.24 178.83 1jho h VAL 216 N 0.66 0.98 0.00 -1.35 2.07 -1.03 0.36 116.25 117.93 1jho h VAL 216 Ca 0.20 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 1jho h VAL 216 Cb -0.03 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1jho h VAL 216 CO -0.07 0.12 -0.00 0.58 0.02 0.00 0.00 177.57 178.22 1jho h VAL 217 N 0.65 1.02 -0.45 2.57 2.07 -1.19 0.85 116.25 121.78 1jho h VAL 217 Ca 0.27 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.78 1jho h VAL 217 Cb 0.14 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 1jho h VAL 217 CO -0.16 0.02 0.20 0.03 0.02 0.00 0.00 177.57 177.68 1jho h ARG 218 N -0.03 0.40 -0.57 1.57 3.08 -1.07 -1.59 114.38 116.16 1jho h ARG 218 Ca -0.00 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.06 1jho h ARG 218 Cb 0.03 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 1jho h ARG 218 CO 0.00 0.26 0.34 0.00 -1.07 0.00 0.00 179.97 179.50 1jho h ARG 219 N 0.41 0.64 -0.93 0.04 3.08 -0.68 0.76 114.38 117.71 1jho h ARG 219 Ca 0.20 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.25 1jho h ARG 219 Cb 0.14 -0.15 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 1jho h ARG 219 CO -0.16 0.43 0.60 0.00 -1.07 0.00 0.00 179.97 179.76 1jho h ALA 220 N 1.26 1.23 0.05 0.04 0.00 -0.21 0.75 119.26 122.39 1jho h ALA 220 Ca 0.24 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1jho h ALA 220 Cb 0.05 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1jho h ALA 220 CO -0.11 0.46 -0.03 0.82 0.00 0.00 0.00 179.25 180.39 1jho h ILE 221 N 1.16 1.26 -0.17 0.00 2.04 -0.81 -1.72 117.51 119.27 1jho h ILE 221 Ca 0.37 -1.13 0.05 0.00 1.00 0.00 0.00 64.86 65.15 1jho h ILE 221 Cb 0.02 1.99 -0.05 0.00 -0.74 0.00 0.00 36.82 38.03 1jho h ILE 221 CO -0.12 0.28 -0.15 0.00 0.00 0.00 0.00 178.15 178.15 1jho h ALA 222 N 0.30 -0.03 -0.44 1.87 0.00 -0.65 0.40 119.26 120.70 1jho h ALA 222 Ca -0.01 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1jho h ALA 222 Cb 0.51 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1jho h ALA 222 CO 0.01 -0.59 0.21 0.82 0.00 0.00 0.00 179.25 179.71 1jho h ILE 223 N -0.17 1.18 0.00 0.00 2.04 -0.91 -3.28 117.51 116.38 1jho h ILE 223 Ca 0.11 -0.52 -0.17 0.00 1.00 0.00 0.00 64.86 65.28 1jho h ILE 223 Cb 0.33 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1jho h ILE 223 CO -0.27 0.20 -1.26 0.78 0.00 0.00 0.00 178.15 177.60 1jho h ASN 224 N 0.58 0.00 -6.04 1.72 2.35 -0.99 -3.49 115.58 109.71 1jho h ASN 224 Ca 0.15 0.00 -0.39 0.00 -0.55 0.00 0.00 56.30 55.51 1jho h ASN 224 Cb 0.12 0.00 0.10 0.00 0.05 0.00 0.00 38.32 38.59 1jho h ASN 224 CO -0.02 0.62 -0.90 0.00 -1.65 0.00 0.00 177.43 175.48 1jho n GLN 225 N -2.98 -2.30 -2.30 0.81 1.13 0.14 -4.89 117.38 106.98 1jho n GLN 225 Ca -0.08 0.58 -0.39 0.00 -1.94 0.00 0.00 57.00 55.18 1jho n GLN 225 Cb 0.84 -4.74 -0.02 0.00 0.11 0.00 0.00 30.24 26.43 1jho n GLN 225 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1jho s PRO 226 N -5.65 4.15 -0.46 -1.09 0.04 -1.26 -4.98 135.00 125.76 1jho s PRO 226 Ca 0.35 1.86 -0.21 0.00 0.04 0.00 0.00 61.00 63.05 1jho s PRO 226 Cb -0.10 -2.77 0.03 0.00 0.04 0.00 0.00 34.50 31.70 1jho s PRO 226 CO 0.83 -0.24 0.68 1.21 0.04 0.00 0.00 177.00 179.51 1jho s ASN 227 N -1.06 6.31 0.61 6.66 2.47 -1.26 -4.92 114.94 123.75 1jho s ASN 227 Ca 0.55 -0.43 0.30 0.00 0.42 0.00 0.00 52.86 53.71 1jho s ASN 227 Cb -0.31 -2.33 1.70 0.00 -1.45 0.00 0.00 41.25 38.86 1jho s ASN 227 CO 0.40 -0.85 2.07 1.55 -3.72 0.00 0.00 177.10 176.55 1jho h PRO 228 N 8.94 0.00 -0.00 0.43 0.13 -1.93 0.24 132.00 139.81 1jho h PRO 228 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1jho h PRO 228 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1jho h PRO 228 CO 0.93 0.00 -0.17 0.54 -0.23 0.00 0.00 178.00 179.07 1jho n ARG 229 N -3.58 0.43 -3.95 0.86 3.00 -1.26 -4.49 116.66 107.67 1jho n ARG 229 Ca 0.02 -0.15 -0.30 0.00 -0.01 0.00 0.00 57.85 57.40 1jho n ARG 229 Cb 0.36 -1.50 -0.14 0.00 0.00 0.00 0.00 32.46 31.18 1jho n ARG 229 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1jho s ASP 230 N -2.68 4.39 0.32 0.55 -1.08 0.85 -4.95 116.67 114.07 1jho s ASP 230 Ca 0.22 -2.70 0.06 0.00 -0.52 0.00 0.00 52.55 49.61 1jho s ASP 230 Cb 0.19 -1.57 0.73 0.00 -1.46 0.00 0.00 42.92 40.82 1jho s ASP 230 CO 0.53 -0.28 1.81 1.23 0.52 0.00 0.00 175.17 178.98 1jho h GLY 231 N 6.87 1.57 1.59 2.66 0.00 -1.79 0.76 103.07 114.75 1jho h GLY 231 Ca -0.07 -0.35 -0.12 0.00 0.00 0.00 0.00 47.33 46.79 1jho h GLY 231 CO 0.62 0.03 -0.37 -2.22 0.00 0.00 0.00 176.54 174.60 1jho h ILE 232 N 0.78 1.30 -0.17 2.60 2.04 -1.92 -0.95 117.51 121.20 1jho h ILE 232 Ca 0.53 -1.49 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 1jho h ILE 232 Cb 0.79 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 1jho h ILE 232 CO -0.30 0.46 0.06 -0.78 0.00 0.00 0.00 178.15 177.59 1jho h ASP 233 N 0.38 0.24 -0.12 1.72 1.82 -1.21 -2.05 116.42 117.20 1jho h ASP 233 Ca 0.04 -0.18 -0.00 0.00 -0.39 0.00 0.00 57.03 56.49 1jho h ASP 233 Cb 0.83 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.77 1jho h ASP 233 CO 0.07 0.36 0.06 0.58 -1.61 0.00 0.00 179.24 178.69 1jho h VAL 234 N 0.10 1.12 -0.55 2.25 2.07 -0.96 -1.90 116.25 118.38 1jho h VAL 234 Ca 0.05 -0.35 0.08 0.00 0.82 0.00 0.00 66.70 67.31 1jho h VAL 234 Cb 0.20 1.14 -0.07 0.00 -1.52 0.00 0.00 31.29 31.04 1jho h VAL 234 CO -0.00 0.11 0.19 -0.07 0.02 0.00 0.00 177.57 177.81 1jho h LEU 235 N 0.06 0.18 -0.77 2.57 3.38 -1.15 -0.41 115.31 119.17 1jho h LEU 235 Ca 0.04 0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 1jho h LEU 235 Cb 0.12 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1jho h LEU 235 CO -0.00 0.12 -0.24 0.77 0.09 0.00 0.00 178.44 179.17 1jho h SER 236 N 0.37 0.67 0.00 -0.43 4.64 -1.20 0.24 113.55 117.83 1jho h SER 236 Ca 0.27 -0.24 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 1jho h SER 236 Cb 0.32 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1jho h SER 236 CO -0.28 0.89 -0.12 0.11 -0.87 0.00 0.00 176.83 176.57 1jho h LYS 237 N 0.58 0.00 -0.14 4.77 1.57 -1.10 -1.79 116.57 120.46 1jho h LYS 237 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1jho h LYS 237 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 1jho h LYS 237 CO 0.06 0.37 0.00 1.33 -0.57 0.00 0.00 179.45 180.64 1jho n VAL 238 N -4.69 1.57 -0.25 0.50 0.24 -0.18 -1.78 118.33 113.74 1jho n VAL 238 Ca -0.06 -1.57 0.00 0.00 -2.04 0.00 0.00 64.34 60.67 1jho n VAL 238 Cb 0.21 0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.69 1jho n VAL 238 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jho n GLY 239 N -0.54 1.69 3.67 7.63 0.00 0.07 -4.56 105.19 113.16 1jho n GLY 239 Ca 0.12 -1.71 -0.07 0.00 0.00 0.00 0.00 46.02 44.37 1jho n GLY 239 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jho s GLY 240 N 0.00 -0.31 0.24 -0.02 0.00 -1.25 -4.77 107.32 101.21 1jho s GLY 240 Ca 0.00 0.26 -0.07 0.00 0.00 0.00 0.00 44.72 44.92 1jho s GLY 240 CO 0.00 0.07 1.87 0.74 0.00 0.00 0.00 173.10 175.78 1jho h PHE 241 N 2.00 1.25 -0.23 1.90 0.05 -1.90 -0.47 116.94 119.55 1jho h PHE 241 Ca -0.24 -0.02 -0.00 0.00 3.82 0.00 0.00 57.97 61.53 1jho h PHE 241 Cb 1.25 -0.40 -0.01 0.00 2.00 0.00 0.00 35.95 38.79 1jho h PHE 241 CO 0.34 0.85 0.14 0.38 -0.18 0.00 0.00 178.31 179.84 1jho h ASP 242 N 1.28 0.27 -0.64 2.17 -0.00 -1.85 0.90 116.42 118.55 1jho h ASP 242 Ca 0.32 -0.04 -0.02 0.00 -0.00 0.00 0.00 57.03 57.30 1jho h ASP 242 Cb 0.00 -0.07 -0.03 0.00 -0.00 0.00 0.00 39.33 39.24 1jho h ASP 242 CO -0.05 0.23 0.32 -0.07 -0.00 0.00 0.00 179.24 179.66 1jho h LEU 243 N 0.29 0.83 -0.43 0.15 3.38 -1.83 -1.30 115.31 116.40 1jho h LEU 243 Ca 0.08 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1jho h LEU 243 Cb 0.00 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1jho h LEU 243 CO -0.02 0.71 0.25 0.58 0.09 0.00 0.00 178.44 180.06 1jho h VAL 244 N 0.88 1.15 -0.66 1.22 2.07 -0.90 -2.24 116.25 117.77 1jho h VAL 244 Ca 0.22 -0.37 0.08 0.00 0.82 0.00 0.00 66.70 67.45 1jho h VAL 244 Cb 0.10 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.41 1jho h VAL 244 CO -0.03 0.15 0.34 1.23 0.02 0.00 0.00 177.57 179.28 1jho h GLY 245 N 0.57 0.97 1.00 2.17 0.00 -0.16 -1.04 103.07 106.57 1jho h GLY 245 Ca 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1jho h GLY 245 CO -0.03 0.09 0.29 -0.33 0.00 0.00 0.00 176.54 176.56 1jho h MET 246 N 0.60 0.59 -0.84 4.80 2.07 -1.06 -1.20 114.93 119.88 1jho h MET 246 Ca 0.31 -0.04 0.03 0.00 -2.07 0.00 0.00 59.70 57.94 1jho h MET 246 Cb 0.28 -0.13 -0.05 0.00 -1.87 0.00 0.00 31.60 29.83 1jho h MET 246 CO -0.23 0.40 0.54 1.15 1.07 0.00 0.00 176.91 179.84 1jho h THR 247 N 0.60 1.13 -0.37 2.22 2.02 -0.97 -2.03 112.91 115.51 1jho h THR 247 Ca 0.16 -0.36 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 1jho h THR 247 Cb -0.05 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.33 1jho h THR 247 CO -0.03 0.19 0.09 1.23 0.37 0.00 0.00 175.52 177.37 1jho h GLY 248 N 1.05 0.57 1.06 2.16 0.00 -0.60 -0.22 103.07 107.10 1jho h GLY 248 Ca 0.34 -0.30 -0.10 0.00 0.00 0.00 0.00 47.33 47.27 1jho h GLY 248 CO -0.11 0.28 -0.03 -2.08 0.00 0.00 0.00 176.54 174.59 1jho h VAL 249 N 0.53 1.27 -0.54 4.60 2.07 -0.54 -0.78 116.25 122.85 1jho h VAL 249 Ca 0.12 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 1jho h VAL 249 Cb 0.20 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1jho h VAL 249 CO -0.00 0.42 0.30 0.24 0.02 0.00 0.00 177.57 178.54 1jho h MET 250 N 0.88 0.75 -0.54 1.57 2.07 -0.93 0.50 114.93 119.23 1jho h MET 250 Ca 0.15 -0.08 -0.12 0.00 -2.07 0.00 0.00 59.70 57.58 1jho h MET 250 Cb 0.59 -0.15 -0.02 0.00 -1.87 0.00 0.00 31.60 30.15 1jho h MET 250 CO 0.04 0.57 -0.12 -0.07 1.07 0.00 0.00 176.91 178.39 1jho h LEU 251 N 0.72 1.04 -0.30 1.22 3.38 -0.85 -2.28 115.31 118.24 1jho h LEU 251 Ca 0.19 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1jho h LEU 251 Cb 0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1jho h LEU 251 CO -0.03 1.15 0.04 1.23 0.09 0.00 0.00 178.44 180.93 1jho h GLY 252 N 0.92 0.54 1.01 0.83 0.00 -0.81 -1.06 103.07 104.51 1jho h GLY 252 Ca 0.14 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 1jho h GLY 252 CO 0.05 0.34 0.29 0.00 0.00 0.00 0.00 176.54 177.22 1jho h ALA 253 N 0.87 0.86 -0.43 3.60 0.00 -0.91 -0.91 119.26 122.34 1jho h ALA 253 Ca 0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1jho h ALA 253 Cb 0.35 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1jho h ALA 253 CO 0.01 0.46 0.19 0.00 0.00 0.00 0.00 179.25 179.91 1jho h ALA 254 N 1.13 0.56 -0.65 0.00 0.00 -1.31 0.26 119.26 119.24 1jho h ALA 254 Ca 0.22 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1jho h ALA 254 Cb 0.17 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1jho h ALA 254 CO -0.02 0.14 0.41 -0.09 0.00 0.00 0.00 179.25 179.69 1jho h ARG 255 N 0.56 0.87 0.00 0.00 9.65 -0.98 0.80 114.38 125.27 1jho h ARG 255 Ca 0.15 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.96 1jho h ARG 255 Cb 0.15 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 28.54 1jho h ARG 255 CO -0.02 0.60 0.00 0.00 2.80 0.00 0.00 179.97 183.36 1jho n GLY 257 N 0.93 -0.04 3.49 0.00 0.00 0.27 -4.10 105.19 105.74 1jho n GLY 257 Ca 0.12 -0.45 -0.25 0.00 0.00 0.00 0.00 46.02 45.44 1jho n GLY 257 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jho s LEU 258 N -2.97 2.65 0.35 0.99 1.43 0.70 -1.22 118.68 120.61 1jho s LEU 258 Ca 0.00 -0.91 -0.23 0.00 -1.03 0.00 0.00 54.13 51.96 1jho s LEU 258 Cb 0.00 -1.23 -0.10 0.00 0.03 0.00 0.00 46.19 44.89 1jho s LEU 258 CO 0.00 0.06 0.91 -2.16 0.23 0.00 0.00 176.35 175.40 1jho s PRO 259 N -3.26 4.40 -0.09 1.29 0.04 -1.26 -3.97 135.00 132.14 1jho s PRO 259 Ca 0.27 1.18 0.01 0.00 0.04 0.00 0.00 61.00 62.50 1jho s PRO 259 Cb -0.06 -2.57 0.02 0.00 0.04 0.00 0.00 34.50 31.93 1jho s PRO 259 CO 0.14 0.18 -0.11 0.08 0.04 0.00 0.00 177.00 177.33 1jho s VAL 260 N -1.82 1.14 -0.15 -0.36 1.01 -0.73 -1.96 120.40 117.52 1jho s VAL 260 Ca 0.54 -0.43 -0.22 0.00 0.00 0.00 0.00 61.98 61.88 1jho s VAL 260 Cb -0.15 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 1jho s VAL 260 CO 0.19 0.37 0.66 -0.76 0.00 0.00 0.00 175.10 175.56 1jho s LEU 261 N 1.13 4.21 0.93 3.92 1.43 0.67 -0.61 118.68 130.36 1jho s LEU 261 Ca -0.05 0.96 -0.12 0.00 -1.03 0.00 0.00 54.13 53.89 1jho s LEU 261 Cb -0.14 -2.96 0.15 0.00 0.03 0.00 0.00 46.19 43.27 1jho s LEU 261 CO -0.02 -0.22 1.12 -0.76 0.23 0.00 0.00 176.35 176.70 1jho s LEU 262 N 1.51 1.94 0.00 1.79 1.02 0.79 -2.65 118.68 123.07 1jho s LEU 262 Ca 0.32 1.05 0.00 0.00 0.02 0.00 0.00 54.13 55.51 1jho s LEU 262 Cb -0.16 -3.35 0.00 0.00 0.02 0.00 0.00 46.19 42.70 1jho s LEU 262 CO 0.13 -2.67 0.00 -0.67 0.02 0.00 0.00 176.35 173.15 1jho n ASP 263 N -3.86 0.00 0.00 2.29 2.03 -1.26 -3.94 116.55 111.81 1jho n ASP 263 Ca 0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.37 1jho n ASP 263 Cb 0.58 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 1jho n ASP 263 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jho n GLY 264 N 5.00 3.50 0.18 0.27 0.00 -1.26 -4.20 105.19 108.68 1jho n GLY 264 Ca 0.00 -1.82 -0.04 0.00 0.00 0.00 0.00 46.02 44.16 1jho n GLY 264 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1jho h PHE 265 N 0.00 0.08 -0.52 1.61 3.04 -1.94 0.25 116.94 119.46 1jho h PHE 265 Ca 0.00 0.03 0.04 0.00 3.98 0.00 0.00 57.97 62.02 1jho h PHE 265 Cb 0.00 0.03 -0.04 0.00 2.56 0.00 0.00 35.95 38.50 1jho h PHE 265 CO 0.00 -0.04 0.28 -0.07 -2.02 0.00 0.00 178.31 176.46 1jho h LEU 266 N 0.18 0.42 -1.13 0.59 -0.00 -1.95 -2.36 115.31 111.04 1jho h LEU 266 Ca 0.22 0.02 -0.05 0.00 -0.00 0.00 0.00 57.88 58.08 1jho h LEU 266 Cb 0.30 -0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 40.88 1jho h LEU 266 CO -0.32 0.29 0.10 0.77 -0.00 0.00 0.00 178.44 179.27 1jho h SER 267 N 0.54 0.66 -0.75 -0.43 4.64 -1.63 -2.42 113.55 114.17 1jho h SER 267 Ca 0.22 -0.11 0.02 0.00 -0.47 0.00 0.00 61.79 61.45 1jho h SER 267 Cb 0.11 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 61.98 1jho h SER 267 CO -0.14 0.67 0.49 1.88 -0.87 0.00 0.00 176.83 178.86 1jho h TYR 268 N 0.69 0.93 -0.33 4.77 0.99 -0.48 0.22 116.97 123.75 1jho h TYR 268 Ca 0.15 0.02 0.07 0.00 2.00 0.00 0.00 58.73 60.97 1jho h TYR 268 Cb 0.28 -0.31 -0.07 0.00 1.00 0.00 0.00 36.73 37.64 1jho h TYR 268 CO 0.01 0.57 -0.10 0.77 -0.00 0.00 0.00 178.16 179.41 1jho h SER 269 N 0.99 -0.37 -0.22 3.88 0.02 -1.06 0.14 113.55 116.93 1jho h SER 269 Ca 0.28 0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 61.28 1jho h SER 269 Cb -0.07 0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 1jho h SER 269 CO -0.08 -0.13 -0.05 0.00 -1.14 0.00 0.00 176.83 175.43 1jho h ALA 270 N 1.28 1.28 -0.49 3.77 0.00 -1.23 -2.37 119.26 121.50 1jho h ALA 270 Ca 0.16 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1jho h ALA 270 Cb 0.28 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1jho h ALA 270 CO -0.36 0.48 -0.19 0.00 0.00 0.00 0.00 179.25 179.19 1jho h ALA 271 N 1.43 0.74 -0.59 0.00 0.00 0.04 -0.89 119.26 119.99 1jho h ALA 271 Ca 0.10 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.65 1jho h ALA 271 Cb 0.41 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1jho h ALA 271 CO 0.02 0.67 0.38 -0.07 0.00 0.00 0.00 179.25 180.25 1jho h LEU 272 N 0.85 0.64 -0.23 0.00 3.38 -0.59 -0.96 115.31 118.40 1jho h LEU 272 Ca 0.12 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1jho h LEU 272 Cb 0.75 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1jho h LEU 272 CO 0.06 0.45 0.12 0.00 0.09 0.00 0.00 178.44 179.16 1jho h ALA 273 N 1.24 0.30 -0.84 1.53 0.00 -1.19 -1.46 119.26 118.83 1jho h ALA 273 Ca 0.23 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1jho h ALA 273 Cb -0.04 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1jho h ALA 273 CO -0.07 -0.16 0.49 0.00 0.00 0.00 0.00 179.25 179.51 1jho h ALA 274 N 0.99 1.07 0.00 0.00 0.00 -0.93 0.37 119.26 120.77 1jho h ALA 274 Ca 0.08 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1jho h ALA 274 Cb 0.09 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1jho h ALA 274 CO -0.01 0.56 -0.28 0.00 0.00 0.00 0.00 179.25 179.52 1jho h GLN 276 N 0.00 0.64 -0.40 0.00 5.75 -0.48 -2.92 115.11 117.70 1jho h GLN 276 Ca -0.00 -0.60 -0.15 0.00 -0.15 0.00 0.00 58.65 57.74 1jho h GLN 276 Cb 0.75 0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.44 1jho h GLN 276 CO 0.04 1.21 -0.35 0.82 -2.65 0.00 0.00 178.83 177.89 1jho h ILE 277 N 0.28 1.27 -1.47 2.39 2.04 -0.63 -3.43 117.51 117.96 1jho h ILE 277 Ca -0.08 -1.53 -0.10 0.00 1.00 0.00 0.00 64.86 64.16 1jho h ILE 277 Cb 1.43 1.34 -0.26 0.00 -0.74 0.00 0.00 36.82 38.59 1jho h ILE 277 CO 0.16 0.51 -0.46 0.00 0.00 0.00 0.00 178.15 178.36 1jho s ALA 278 N -4.44 -1.62 0.57 1.87 0.00 0.73 -5.01 121.76 113.86 1jho s ALA 278 Ca -0.11 0.70 0.26 0.00 0.00 0.00 0.00 51.96 52.82 1jho s ALA 278 Cb 0.11 -2.16 1.69 0.00 0.00 0.00 0.00 23.12 22.76 1jho s ALA 278 CO 0.88 -1.67 2.23 -1.35 0.00 0.00 0.00 175.76 175.85 1jho h PRO 279 N 8.10 0.00 0.00 0.00 0.11 -1.72 -0.24 132.00 138.26 1jho h PRO 279 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1jho h PRO 279 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1jho h PRO 279 CO 0.23 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.03 1jho n ALA 280 N -2.37 1.22 0.09 -0.75 0.00 -1.26 -1.77 120.51 115.67 1jho n ALA 280 Ca -0.03 -0.02 -0.06 0.00 0.00 0.00 0.00 53.44 53.34 1jho n ALA 280 Cb 0.09 -1.07 0.01 0.00 0.00 0.00 0.00 19.45 18.48 1jho n ALA 280 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1jho h VAL 281 N 0.00 1.56 -0.70 0.00 2.07 -1.34 -3.38 116.25 114.45 1jho h VAL 281 Ca 0.00 -2.75 0.14 0.00 0.82 0.00 0.00 66.70 64.92 1jho h VAL 281 Cb 0.07 2.50 -0.13 0.00 -1.52 0.00 0.00 31.29 32.20 1jho h VAL 281 CO 0.00 0.79 -0.18 -0.09 0.02 0.00 0.00 177.57 178.11 1jho h ARG 282 N 0.03 -0.00 0.00 1.57 9.65 -1.54 -1.49 114.38 122.60 1jho h ARG 282 Ca -0.02 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1jho h ARG 282 Cb 1.47 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.05 1jho h ARG 282 CO 0.12 -0.00 0.00 -1.00 2.80 0.00 0.00 179.97 181.88 1jho h PRO 283 N -0.00 0.00 0.00 0.20 0.14 -1.81 -2.00 132.00 128.53 1jho h PRO 283 Ca 0.34 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.48 1jho h PRO 283 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.66 1jho h PRO 283 CO -0.73 0.00 -0.69 1.88 0.14 0.00 0.00 178.00 178.61 1jho h TYR 284 N 0.00 0.00 -3.80 1.56 0.05 -1.54 -3.47 116.97 109.77 1jho h TYR 284 Ca 0.00 0.00 -0.48 0.00 0.05 0.00 0.00 58.73 58.30 1jho h TYR 284 Cb 0.05 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.77 1jho h TYR 284 CO 0.00 0.00 0.35 -0.51 -1.05 0.00 0.00 178.16 176.95 1jho s LEU 285 N -4.56 4.53 -0.08 3.88 1.43 -0.75 -1.78 118.68 121.34 1jho s LEU 285 Ca 0.05 1.92 -0.01 0.00 -1.03 0.00 0.00 54.13 55.06 1jho s LEU 285 Cb 0.12 -3.77 0.03 0.00 0.03 0.00 0.00 46.19 42.60 1jho s LEU 285 CO 0.73 0.06 -0.03 -0.63 0.23 0.00 0.00 176.35 176.71 1jho s ILE 286 N -1.35 0.62 0.67 -0.59 1.01 0.22 -4.93 121.20 116.86 1jho s ILE 286 Ca 0.45 -0.06 -0.15 0.00 0.00 0.00 0.00 60.65 60.89 1jho s ILE 286 Cb -0.23 -0.71 0.01 0.00 0.01 0.00 0.00 42.46 41.54 1jho s ILE 286 CO 0.29 0.29 1.12 -2.16 0.00 0.00 0.00 174.94 174.48 1jho s PRO 287 N 1.69 2.70 0.00 2.79 0.04 -1.26 -0.15 135.00 140.81 1jho s PRO 287 Ca 0.02 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1jho s PRO 287 Cb -0.13 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1jho s PRO 287 CO -0.05 -1.33 0.00 -1.13 0.04 0.00 0.00 177.00 174.53 1jho n SER 288 N -2.50 0.00 -4.52 6.66 3.41 -1.26 -4.55 113.62 110.86 1jho n SER 288 Ca 0.11 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.47 1jho n SER 288 Cb 0.52 -0.03 -0.11 0.00 -0.26 0.00 0.00 64.21 64.33 1jho n SER 288 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1jho s HIS 289 N -0.21 2.21 -0.61 7.33 -3.43 -1.26 -1.61 115.29 117.72 1jho s HIS 289 Ca 0.00 -0.82 -0.16 0.00 -0.80 0.00 0.00 55.06 53.28 1jho s HIS 289 Cb 0.00 -1.49 0.14 0.00 -1.43 0.00 0.00 32.58 29.80 1jho s HIS 289 CO 0.00 0.22 0.60 0.12 -2.00 0.00 0.00 174.74 173.68 1jho s PHE 290 N -3.02 3.28 0.41 0.38 2.19 0.45 -4.81 117.98 116.85 1jho s PHE 290 Ca 0.36 -1.34 -0.26 0.00 0.33 0.00 0.00 56.93 56.02 1jho s PHE 290 Cb 0.09 -3.86 -0.10 0.00 -1.31 0.00 0.00 43.02 37.84 1jho s PHE 290 CO 0.16 -1.08 1.25 0.45 1.83 0.00 0.00 175.22 177.83 1jho n SER 291 N 5.29 2.47 0.00 6.13 2.88 -1.26 -4.28 113.62 124.84 1jho n SER 291 Ca -0.08 1.12 0.10 0.00 -1.33 0.00 0.00 58.87 58.68 1jho n SER 291 Cb 0.42 -1.48 0.58 0.00 -0.75 0.00 0.00 64.21 62.97 1jho n SER 291 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jho n ALA 292 N -0.15 2.50 -2.04 -1.46 0.00 -0.42 -4.71 120.51 114.23 1jho n ALA 292 Ca 0.07 -0.12 -0.41 0.00 0.00 0.00 0.00 53.44 52.97 1jho n ALA 292 Cb 0.39 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.49 1jho n ALA 292 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1jho s GLU 293 N -2.00 4.40 0.27 0.00 2.56 -1.26 -4.93 118.70 117.74 1jho s GLU 293 Ca 0.29 2.02 -0.04 0.00 0.00 0.00 0.00 54.97 57.24 1jho s GLU 293 Cb 0.13 -3.21 0.54 0.00 2.00 0.00 0.00 34.13 33.60 1jho s GLU 293 CO 0.22 -0.24 1.60 -0.22 -0.56 0.00 0.00 175.26 176.06 1jho h LYS 294 N 5.49 0.05 -0.02 4.30 3.64 -1.87 0.50 116.57 128.65 1jho h LYS 294 Ca -0.44 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1jho h LYS 294 Cb 1.21 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1jho h LYS 294 CO 0.78 0.03 0.00 0.41 -2.27 0.00 0.00 179.45 178.40 1jho n GLY 295 N -1.49 -0.89 0.10 5.01 0.00 -1.25 -4.20 105.19 102.47 1jho n GLY 295 Ca 0.17 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 1jho n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jho h ALA 296 N 3.27 0.22 -0.50 4.61 0.00 -1.17 -2.32 119.26 123.37 1jho h ALA 296 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1jho h ALA 296 Cb 0.03 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1jho h ALA 296 CO 0.00 -0.33 0.25 0.07 0.00 0.00 0.00 179.25 179.24 1jho h ARG 297 N 0.20 0.48 -0.21 0.00 0.11 -1.80 -0.46 114.38 112.70 1jho h ARG 297 Ca 0.07 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 60.12 1jho h ARG 297 Cb 0.01 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 30.97 1jho h ARG 297 CO -0.04 0.32 0.10 0.82 0.10 0.00 0.00 179.97 181.26 1jho h ILE 298 N 0.49 1.13 -0.37 0.08 2.04 -1.83 -1.71 117.51 117.34 1jho h ILE 298 Ca 0.22 -0.38 0.03 0.00 1.00 0.00 0.00 64.86 65.72 1jho h ILE 298 Cb 0.12 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 1jho h ILE 298 CO -0.15 0.13 0.18 0.00 0.00 0.00 0.00 178.15 178.31 1jho h ALA 299 N 0.97 0.46 -0.45 1.87 0.00 -1.15 -2.54 119.26 118.42 1jho h ALA 299 Ca 0.07 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1jho h ALA 299 Cb 0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1jho h ALA 299 CO -0.01 -0.18 0.00 -0.07 0.00 0.00 0.00 179.25 178.99 1jho h LEU 300 N 0.38 0.69 -0.62 0.00 3.38 -0.98 -2.46 115.31 115.70 1jho h LEU 300 Ca 0.16 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1jho h LEU 300 Cb 0.07 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1jho h LEU 300 CO -0.11 0.76 0.34 0.00 0.09 0.00 0.00 178.44 179.51 1jho h ALA 301 N 1.32 0.79 0.00 1.53 0.00 -1.05 0.18 119.26 122.04 1jho h ALA 301 Ca 0.14 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1jho h ALA 301 Cb 0.41 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1jho h ALA 301 CO 0.02 0.31 -0.29 0.45 0.00 0.00 0.00 179.25 179.73 1jho h HIS 302 N 0.84 0.00 -0.00 0.00 3.86 -1.24 -0.24 115.15 118.36 1jho h HIS 302 Ca 0.22 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 1jho h HIS 302 Cb 0.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.52 1jho h HIS 302 CO -0.01 0.29 -0.27 1.28 0.86 0.00 0.00 177.93 180.09 1jho n LEU 303 N -4.02 0.37 -3.64 2.43 4.32 -0.74 -4.93 117.00 110.79 1jho n LEU 303 Ca -0.02 0.14 -0.23 0.00 -0.02 0.00 0.00 56.01 55.88 1jho n LEU 303 Cb 0.35 -0.31 0.06 0.00 -1.62 0.00 0.00 43.42 41.91 1jho n LEU 303 CO 0.37 0.08 0.13 -1.20 -1.22 0.00 0.00 177.39 175.55 1jho n SER 304 N -1.36 -3.95 -4.30 -1.43 7.64 0.51 -4.99 113.62 105.73 1jho n SER 304 Ca 0.08 -0.66 -0.28 0.00 1.01 0.00 0.00 58.87 59.02 1jho n SER 304 Cb 0.33 -4.65 -0.14 0.00 -1.01 0.00 0.00 64.21 58.73 1jho n SER 304 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1jho s MET 305 N -6.06 1.60 -0.32 1.43 -1.94 -0.40 -5.03 119.30 108.58 1jho s MET 305 Ca 0.34 -1.05 0.03 0.00 -1.71 0.00 0.00 55.69 53.30 1jho s MET 305 Cb -0.16 -1.77 0.09 0.00 2.01 0.00 0.00 34.83 35.01 1jho s MET 305 CO 0.77 0.45 0.04 -1.83 -0.01 0.00 0.00 175.02 174.44 1jho s GLU 306 N -1.24 1.44 0.79 2.03 1.03 -1.26 -4.62 118.70 116.87 1jho s GLU 306 Ca 0.10 -1.67 -0.14 0.00 0.03 0.00 0.00 54.97 53.29 1jho s GLU 306 Cb -0.09 -2.97 0.07 0.00 -0.80 0.00 0.00 34.13 30.34 1jho s GLU 306 CO 0.02 -0.90 1.21 -2.14 -1.33 0.00 0.00 175.26 172.12 1jho s PRO 307 N 1.05 1.75 0.06 -4.83 0.02 -1.26 -4.91 135.00 126.88 1jho s PRO 307 Ca 0.08 1.76 -0.03 0.00 0.02 0.00 0.00 61.00 62.83 1jho s PRO 307 Cb -0.19 -1.79 -0.27 0.00 0.02 0.00 0.00 34.50 32.27 1jho s PRO 307 CO -0.10 -2.13 1.08 1.88 -0.33 0.00 0.00 177.00 177.40 1jho h TYR 308 N -0.77 0.43 -3.29 6.54 0.05 -1.65 -3.47 116.97 114.82 1jho h TYR 308 Ca -0.47 -0.32 -0.61 0.00 0.05 0.00 0.00 58.73 57.39 1jho h TYR 308 Cb 1.30 -0.02 -0.14 0.00 1.01 0.00 0.00 36.73 38.88 1jho h TYR 308 CO 0.47 1.27 -0.53 -0.51 -1.05 0.00 0.00 178.16 177.81 1jho s LEU 309 N -7.05 4.00 -0.58 3.88 1.02 -0.63 -5.03 118.68 114.29 1jho s LEU 309 Ca -0.05 0.15 0.01 0.00 0.02 0.00 0.00 54.13 54.26 1jho s LEU 309 Cb 0.07 -2.02 0.15 0.00 0.02 0.00 0.00 46.19 44.40 1jho s LEU 309 CO 0.87 0.17 0.35 -1.00 0.02 0.00 0.00 176.35 176.77 1jho s HIS 310 N 0.39 3.29 -0.17 0.29 3.76 -1.26 -0.41 115.29 121.18 1jho s HIS 310 Ca 0.05 -2.98 0.01 0.00 -0.15 0.00 0.00 55.06 52.00 1jho s HIS 310 Cb -0.12 -2.99 0.02 0.00 1.11 0.00 0.00 32.58 30.60 1jho s HIS 310 CO -0.01 -0.78 0.66 -1.33 -0.85 0.00 0.00 174.74 172.44 1jho n MET 311 N 3.22 0.11 -3.15 1.40 2.81 -1.26 -4.99 117.12 115.26 1jho n MET 311 Ca 0.07 -0.82 -0.23 0.00 -1.81 0.00 0.00 57.70 54.91 1jho n MET 311 Cb 0.35 -1.03 0.02 0.00 -0.71 0.00 0.00 33.22 31.85 1jho n MET 311 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1jho n ALA 312 N -0.03 -1.01 -1.96 3.04 0.00 -1.26 -4.95 120.51 114.35 1jho n ALA 312 Ca 0.01 0.21 -0.35 0.00 0.00 0.00 0.00 53.44 53.31 1jho n ALA 312 Cb 0.09 -3.44 -0.06 0.00 0.00 0.00 0.00 19.45 16.04 1jho n ALA 312 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1jho s MET 313 N -5.82 4.27 -0.35 0.00 -1.94 -1.26 -4.61 119.30 109.59 1jho s MET 313 Ca 0.34 1.00 0.13 0.00 -1.71 0.00 0.00 55.69 55.45 1jho s MET 313 Cb -0.16 -2.58 0.42 0.00 2.01 0.00 0.00 34.83 34.52 1jho s MET 313 CO 0.42 0.20 1.40 2.89 -0.01 0.00 0.00 175.02 179.92 1jho n ARG 314 N 0.08 1.34 -0.08 2.03 1.85 -1.26 -1.30 116.66 119.33 1jho n ARG 314 Ca 0.02 -1.81 -0.17 0.00 -1.00 0.00 0.00 57.85 54.89 1jho n ARG 314 Cb 0.52 -0.07 -0.13 0.00 -1.05 0.00 0.00 32.46 31.73 1jho n ARG 314 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 1jho n LEU 315 N -1.04 2.26 0.00 2.89 7.94 -1.26 -4.88 117.00 122.91 1jho n LEU 315 Ca -0.08 0.03 0.00 0.00 -1.11 0.00 0.00 56.01 54.84 1jho n LEU 315 Cb 0.86 -0.67 0.00 0.00 0.53 0.00 0.00 43.42 44.14 1jho n LEU 315 CO -0.08 0.80 0.00 0.61 -1.11 0.00 0.00 177.39 177.62 1jho n GLY 316 N 2.05 -0.55 3.67 -3.96 0.00 -1.26 -4.95 105.19 100.19 1jho n GLY 316 Ca -0.38 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1jho n GLY 316 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jho n GLU 317 N 0.00 0.00 -0.28 1.61 1.02 -1.06 -1.95 120.64 119.99 1jho n GLU 317 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1jho n GLU 317 Cb 0.00 -2.94 0.00 0.00 -0.02 0.00 0.00 31.44 28.48 1jho n GLU 317 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jho n GLY 318 N -2.00 0.85 0.29 0.62 0.00 -1.26 -4.30 105.19 99.40 1jho n GLY 318 Ca 0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 46.02 45.90 1jho n GLY 318 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jho h SER 319 N 0.00 0.86 -0.60 1.61 4.64 -1.71 -2.04 113.55 116.32 1jho h SER 319 Ca 0.00 -0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.20 1jho h SER 319 Cb 0.00 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 61.85 1jho h SER 319 CO 0.00 0.64 0.05 1.23 -0.87 0.00 0.00 176.83 177.88 1jho h GLY 320 N 1.00 1.12 0.92 -0.77 0.00 -1.91 -2.07 103.07 101.37 1jho h GLY 320 Ca 0.27 -0.77 0.02 0.00 0.00 0.00 0.00 47.33 46.85 1jho h GLY 320 CO -0.06 0.71 0.40 0.00 0.00 0.00 0.00 176.54 177.59 1jho h ALA 321 N 1.08 0.80 -0.67 3.60 0.00 -1.61 -1.51 119.26 120.96 1jho h ALA 321 Ca 0.18 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1jho h ALA 321 Cb 0.48 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1jho h ALA 321 CO 0.02 0.16 0.10 0.00 0.00 0.00 0.00 179.25 179.54 1jho h ALA 322 N 1.25 0.89 -0.38 0.00 0.00 -1.18 -2.47 119.26 117.37 1jho h ALA 322 Ca 0.24 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1jho h ALA 322 Cb -0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1jho h ALA 322 CO -0.08 0.67 0.22 1.25 0.00 0.00 0.00 179.25 181.31 1jho h LEU 323 N 1.04 0.45 0.00 0.00 5.85 -0.90 -2.67 115.31 119.08 1jho h LEU 323 Ca 0.20 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1jho h LEU 323 Cb 0.45 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1jho h LEU 323 CO 0.01 0.36 -0.30 0.00 -0.34 0.00 0.00 178.44 178.18 1jho n ALA 324 N -2.48 2.86 -0.36 1.25 0.00 -0.61 -4.21 120.51 116.96 1jho n ALA 324 Ca 0.03 -0.21 0.07 0.00 0.00 0.00 0.00 53.44 53.33 1jho n ALA 324 Cb 0.09 -1.29 0.24 0.00 0.00 0.00 0.00 19.45 18.49 1jho n ALA 324 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1jho h MET 325 N 0.00 0.94 0.00 0.00 2.86 -1.24 -0.47 114.93 117.02 1jho h MET 325 Ca 0.00 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1jho h MET 325 Cb 0.58 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 32.02 1jho h MET 325 CO 0.00 0.62 -0.11 -1.35 1.06 0.00 0.00 176.91 177.13 1jho h PRO 326 N 0.97 0.00 -0.34 -0.22 0.11 -1.78 -1.61 132.00 129.13 1jho h PRO 326 Ca 0.50 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.51 1jho h PRO 326 Cb 0.52 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 1jho h PRO 326 CO -0.28 0.11 -0.18 0.82 -0.21 0.00 0.00 178.00 178.26 1jho h ILE 327 N 0.00 1.29 -0.52 4.15 2.04 -1.35 0.24 117.51 123.36 1jho h ILE 327 Ca -0.00 -1.31 -0.01 0.00 1.00 0.00 0.00 64.86 64.54 1jho h ILE 327 Cb 0.28 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 1jho h ILE 327 CO 0.01 0.43 0.29 0.58 0.00 0.00 0.00 178.15 179.46 1jho h VAL 328 N 0.49 1.18 -0.20 1.67 2.07 -1.12 -1.79 116.25 118.55 1jho h VAL 328 Ca 0.07 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 1jho h VAL 328 Cb 0.73 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1jho h VAL 328 CO 0.05 0.19 -0.07 -0.33 0.02 0.00 0.00 177.57 177.43 1jho h GLU 329 N 0.69 0.31 -0.50 1.57 5.08 -1.20 -2.39 114.58 118.15 1jho h GLU 329 Ca 0.18 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.41 1jho h GLU 329 Cb 0.05 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1jho h GLU 329 CO -0.03 0.40 0.01 0.00 -1.00 0.00 0.00 179.01 178.39 1jho h ALA 330 N 1.64 1.09 -0.24 3.43 0.00 -0.14 -1.37 119.26 123.67 1jho h ALA 330 Ca 0.06 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1jho h ALA 330 Cb 0.32 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1jho h ALA 330 CO 0.01 0.58 -0.18 0.00 0.00 0.00 0.00 179.25 179.66 1jho h ALA 331 N 1.24 1.24 -0.28 0.00 0.00 -0.86 -0.94 119.26 119.67 1jho h ALA 331 Ca 0.15 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 1jho h ALA 331 Cb 0.45 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1jho h ALA 331 CO 0.02 0.50 -0.27 0.00 0.00 0.00 0.00 179.25 179.49 1jho h ALA 333 N 0.70 1.08 0.19 0.00 0.00 -1.04 0.14 119.26 120.32 1jho h ALA 333 Ca 0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1jho h ALA 333 Cb 0.84 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1jho h ALA 333 CO 0.07 0.51 -0.14 1.98 0.00 0.00 0.00 179.25 181.67 1jho h MET 334 N 1.15 -0.32 -0.51 0.00 1.85 -1.10 0.55 114.93 116.56 1jho h MET 334 Ca 0.31 0.02 0.07 0.00 -0.61 0.00 0.00 59.70 59.49 1jho h MET 334 Cb -0.09 0.07 -0.06 0.00 0.43 0.00 0.00 31.60 31.95 1jho h MET 334 CO -0.06 -0.21 0.19 0.35 -0.40 0.00 0.00 176.91 176.77 1jho h PHE 335 N -0.33 0.33 0.00 1.39 3.57 -0.82 -2.65 116.94 118.42 1jho h PHE 335 Ca -0.01 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.34 1jho h PHE 335 Cb 0.29 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 1jho h PHE 335 CO -0.10 0.11 -1.67 0.72 -2.23 0.00 0.00 178.31 175.13 1jho n HIS 336 N -5.00 0.66 0.64 0.41 8.25 0.43 -4.57 115.22 116.05 1jho n HIS 336 Ca 0.05 0.22 0.07 0.00 -0.26 0.00 0.00 57.72 57.81 1jho n HIS 336 Cb 0.20 -0.98 -0.09 0.00 1.12 0.00 0.00 29.99 30.24 1jho n HIS 336 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1jho n ASN 337 N -2.77 0.80 -4.80 0.41 5.03 0.19 -4.99 115.26 109.14 1jho n ASN 337 Ca -0.13 -0.77 -0.33 0.00 0.87 0.00 0.00 54.58 54.22 1jho n ASN 337 Cb 0.85 1.08 0.01 0.00 -1.02 0.00 0.00 39.78 40.70 1jho n ASN 337 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 1jho s MET 338 N -2.52 3.33 0.92 3.52 -1.94 -1.00 -5.04 119.30 116.56 1jho s MET 338 Ca 0.05 1.24 -0.15 0.00 -1.71 0.00 0.00 55.69 55.11 1jho s MET 338 Cb 0.11 -2.03 0.17 0.00 2.01 0.00 0.00 34.83 35.09 1jho s MET 338 CO 0.63 -0.80 1.28 0.20 -0.01 0.00 0.00 175.02 176.32 1jho s GLY 339 N -2.69 1.73 -0.06 -0.03 0.00 -1.26 -4.88 107.32 100.13 1jho s GLY 339 Ca 0.64 -1.06 0.03 0.00 0.00 0.00 0.00 44.72 44.34 1jho s GLY 339 CO 0.36 -0.36 -0.13 -0.54 0.00 0.00 0.00 173.10 172.42 1jho s GLU 340 N -5.80 2.60 0.19 2.90 2.02 -1.26 -0.13 118.70 119.21 1jho s GLU 340 Ca 0.71 -0.67 -0.19 0.00 0.02 0.00 0.00 54.97 54.84 1jho s GLU 340 Cb -0.06 -2.43 0.15 0.00 0.10 0.00 0.00 34.13 31.89 1jho s GLU 340 CO 0.52 0.61 1.60 -0.07 0.02 0.00 0.00 175.26 177.94 1jho h LEU 341 N 5.41 -0.97 -0.85 1.80 3.38 -1.37 -1.58 115.31 121.14 1jho h LEU 341 Ca -0.46 0.21 0.15 0.00 0.09 0.00 0.00 57.88 57.88 1jho h LEU 341 Cb 1.16 0.50 -0.10 0.00 0.09 0.00 0.00 40.66 42.32 1jho h LEU 341 CO 0.51 -0.28 0.42 0.00 0.09 0.00 0.00 178.44 179.18 1jho h ALA 342 N 1.14 1.28 0.00 1.53 0.00 -1.80 -0.41 119.26 121.00 1jho h ALA 342 Ca 0.24 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1jho h ALA 342 Cb 0.52 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1jho h ALA 342 CO -0.64 -0.13 -0.09 0.00 0.00 0.00 0.00 179.25 178.39 1jho h ALA 343 N 1.57 1.42 -0.02 0.00 0.00 -1.65 -0.95 119.26 119.62 1jho h ALA 343 Ca 0.47 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1jho h ALA 343 Cb 0.69 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1jho h ALA 343 CO -0.38 0.11 -0.02 0.43 0.00 0.00 0.00 179.25 179.38 1jho n SER 344 N -3.80 2.35 -0.64 0.00 7.64 -0.26 -4.91 113.62 114.00 1jho n SER 344 Ca -0.02 -1.77 -0.08 0.00 1.01 0.00 0.00 58.87 58.01 1jho n SER 344 Cb 0.19 0.02 -0.03 0.00 -1.01 0.00 0.00 64.21 63.38 1jho n SER 344 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1jho n ASN 345 N 0.81 -3.83 -4.67 6.43 5.03 -0.36 -4.98 115.26 113.70 1jho n ASN 345 Ca 0.16 0.17 -0.41 0.00 0.87 0.00 0.00 54.58 55.37 1jho n ASN 345 Cb 0.50 -2.15 -0.05 0.00 -1.02 0.00 0.00 39.78 37.06 1jho n ASN 345 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1jho s ILE 346 N -2.31 4.92 -0.20 2.41 1.01 -0.60 -5.01 121.20 121.43 1jho s ILE 346 Ca 0.00 1.51 0.02 0.00 0.00 0.00 0.00 60.65 62.18 1jho s ILE 346 Cb 0.00 -4.08 0.03 0.00 0.01 0.00 0.00 42.46 38.42 1jho s ILE 346 CO 0.00 0.05 -0.17 -0.69 0.00 0.00 0.00 174.94 174.14 1jho s VAL 347 N 2.06 2.05 0.33 2.92 1.01 -1.26 -4.26 120.40 123.25 1jho s VAL 347 Ca 0.36 -1.14 0.08 0.00 0.00 0.00 0.00 61.98 61.28 1jho s VAL 347 Cb -0.16 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 1jho s VAL 347 CO 0.12 0.35 0.13 -0.76 0.00 0.00 0.00 175.10 174.93 1jho s LEU 348 N 1.25 3.25 0.00 3.92 1.43 -1.26 -5.22 118.68 122.05 1jho s LEU 348 Ca 0.00 -0.77 0.26 0.00 -1.03 0.00 0.00 54.13 52.60 1jho s LEU 348 Cb -0.15 -1.73 0.72 0.00 0.03 0.00 0.00 46.19 45.05 1jho s LEU 348 CO -0.10 -0.27 1.56 -2.65 0.23 0.00 0.00 176.35 175.11