#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jho s LEU 2 N 0.00 3.86 0.67 1.34 1.02 -1.26 -5.05 118.68 119.27 2jho s LEU 2 Ca 0.00 2.01 -0.11 0.00 0.02 0.00 0.00 54.13 56.05 2jho s LEU 2 Cb 0.00 -4.51 -0.01 0.00 0.02 0.00 0.00 46.19 41.69 2jho s LEU 2 CO 0.00 -0.85 1.06 -0.94 0.02 0.00 0.00 176.35 175.63 2jho s SER 3 N -1.87 5.68 0.44 2.29 1.04 -1.26 -4.86 113.70 115.17 2jho s SER 3 Ca 0.67 1.42 0.10 0.00 0.48 0.00 0.00 55.95 58.63 2jho s SER 3 Cb -0.19 -2.34 0.99 0.00 0.10 0.00 0.00 66.02 64.57 2jho s SER 3 CO 0.23 -1.23 2.07 -0.33 0.98 0.00 0.00 173.24 174.96 2jho h GLU 4 N -0.57 0.39 -0.56 4.02 4.39 -1.99 0.25 114.58 120.51 2jho h GLU 4 Ca -0.44 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.18 2jho h GLU 4 Cb 1.21 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.75 2jho h GLU 4 CO 0.60 0.26 0.15 0.78 -1.16 0.00 0.00 179.01 179.64 2jho h GLY 5 N 0.40 0.92 1.19 -3.84 0.00 -1.99 0.34 103.07 100.09 2jho h GLY 5 Ca 0.14 -0.53 -0.23 0.00 0.00 0.00 0.00 47.33 46.71 2jho h GLY 5 CO -0.03 0.50 -0.81 0.83 0.00 0.00 0.00 176.54 177.02 2jho h GLU 6 N 0.83 0.79 -0.57 4.80 5.08 -1.40 -1.99 114.58 122.11 2jho h GLU 6 Ca 0.18 -0.67 0.01 0.00 -1.00 0.00 0.00 59.36 57.89 2jho h GLU 6 Cb 0.29 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 2jho h GLU 6 CO -0.00 1.27 0.37 -1.49 -1.00 0.00 0.00 179.01 178.15 2jho h TRP 7 N 0.53 0.69 -0.80 4.33 4.06 -0.27 -1.14 115.95 123.35 2jho h TRP 7 Ca -0.06 0.02 0.16 0.00 2.06 0.00 0.00 58.89 61.07 2jho h TRP 7 Cb 1.44 -0.23 -0.10 0.00 -1.00 0.00 0.00 29.16 29.27 2jho h TRP 7 CO 0.09 0.42 0.32 1.96 -3.56 0.00 0.00 178.44 177.67 2jho h GLN 8 N 0.74 0.41 -0.43 0.49 4.20 -0.02 -0.36 115.11 120.15 2jho h GLN 8 Ca 0.22 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 2jho h GLN 8 Cb -0.05 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 2jho h GLN 8 CO -0.07 0.27 0.20 -0.07 -0.67 0.00 0.00 178.83 178.50 2jho h LEU 9 N 0.43 0.57 -0.18 1.46 3.38 -0.70 -1.29 115.31 118.97 2jho h LEU 9 Ca 0.45 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.33 2jho h LEU 9 Cb 0.74 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 2jho h LEU 9 CO -0.45 0.54 -0.05 0.58 0.09 0.00 0.00 178.44 179.15 2jho h VAL 10 N 0.55 0.80 0.00 1.22 2.07 -0.83 -2.33 116.25 117.74 2jho h VAL 10 Ca 0.15 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.50 2jho h VAL 10 Cb 0.12 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 2jho h VAL 10 CO -0.02 0.00 -0.79 -0.07 0.02 0.00 0.00 177.57 176.71 2jho h LEU 11 N -0.01 0.00 -0.35 2.57 3.38 -0.93 -0.62 115.31 119.34 2jho h LEU 11 Ca 0.09 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.10 2jho h LEU 11 Cb 0.15 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 2jho h LEU 11 CO -0.19 0.79 0.09 -0.74 0.09 0.00 0.00 178.44 178.48 2jho h HIS 12 N 0.00 0.16 -0.21 1.13 2.76 -1.17 -0.94 115.15 116.89 2jho h HIS 12 Ca -0.01 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.16 2jho h HIS 12 Cb 1.54 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 30.47 2jho h HIS 12 CO 0.00 0.05 0.06 0.28 -1.30 0.00 0.00 177.93 177.02 2jho h VAL 13 N 0.22 1.20 -0.94 5.26 2.07 -1.30 -2.80 116.25 119.96 2jho h VAL 13 Ca 0.16 -0.64 0.08 0.00 0.82 0.00 0.00 66.70 67.12 2jho h VAL 13 Cb 0.16 1.23 -0.07 0.00 -1.52 0.00 0.00 31.29 31.10 2jho h VAL 13 CO -0.19 0.20 0.61 -0.25 0.02 0.00 0.00 177.57 177.96 2jho h TRP 14 N 0.15 1.09 -0.57 1.57 2.91 -0.90 -0.37 115.95 119.83 2jho h TRP 14 Ca 0.07 0.03 0.02 0.00 1.13 0.00 0.00 58.89 60.13 2jho h TRP 14 Cb 0.25 -0.35 -0.03 0.00 -0.51 0.00 0.00 29.16 28.52 2jho h TRP 14 CO 0.01 0.54 0.38 0.00 -1.03 0.00 0.00 178.44 178.33 2jho h ALA 15 N 1.51 1.65 -0.28 2.65 0.00 -0.90 -1.60 119.26 122.29 2jho h ALA 15 Ca 0.42 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.36 2jho h ALA 15 Cb 0.27 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 2jho h ALA 15 CO -0.17 0.31 -0.16 0.87 0.00 0.00 0.00 179.25 180.10 2jho h LYS 16 N 0.72 -0.12 -0.97 0.00 1.57 -1.02 -2.96 116.57 113.78 2jho h LYS 16 Ca 0.22 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.08 2jho h LYS 16 Cb -0.00 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.27 2jho h LYS 16 CO -0.05 -0.08 0.62 0.28 -0.57 0.00 0.00 179.45 179.65 2jho h VAL 17 N -0.12 1.06 0.00 0.50 2.07 -1.07 -1.60 116.25 117.08 2jho h VAL 17 Ca 0.15 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.29 2jho h VAL 17 Cb 0.35 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 2jho h VAL 17 CO -0.36 0.20 0.00 -0.62 0.02 0.00 0.00 177.57 176.81 2jho n GLU 18 N -4.54 0.15 0.25 1.57 1.02 -0.85 -1.38 120.64 116.86 2jho n GLU 18 Ca 0.15 0.52 0.12 0.00 -0.02 0.00 0.00 57.16 57.93 2jho n GLU 18 Cb 0.20 -1.88 0.61 0.00 -0.02 0.00 0.00 31.44 30.35 2jho n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jho h ALA 19 N 2.14 1.10 -0.79 0.62 0.00 -1.23 -3.35 119.26 117.74 2jho h ALA 19 Ca 0.00 -0.14 -0.24 0.00 0.00 0.00 0.00 54.91 54.54 2jho h ALA 19 Cb 0.18 -0.02 -0.18 0.00 0.00 0.00 0.00 17.79 17.76 2jho h ALA 19 CO 0.00 0.19 -0.57 -3.47 0.00 0.00 0.00 179.25 175.40 2jho n ASP 20 N -3.41 -2.79 -0.09 0.00 2.03 -0.48 -5.00 116.55 106.80 2jho n ASP 20 Ca -0.01 -3.01 -0.12 0.00 0.52 0.00 0.00 54.79 52.18 2jho n ASP 20 Cb 0.34 1.46 -0.04 0.00 -0.72 0.00 0.00 41.12 42.15 2jho n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2jho h VAL 21 N 4.03 1.28 -0.71 5.18 2.07 -1.58 -1.26 116.25 125.26 2jho h VAL 21 Ca -0.00 -1.07 -0.06 0.00 0.82 0.00 0.00 66.70 66.38 2jho h VAL 21 Cb 1.05 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 2jho h VAL 21 CO 0.19 0.34 0.21 0.00 0.02 0.00 0.00 177.57 178.32 2jho h ALA 22 N 0.78 1.01 -0.53 1.67 0.00 -1.89 0.11 119.26 120.40 2jho h ALA 22 Ca 0.07 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2jho h ALA 22 Cb 0.53 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2jho h ALA 22 CO 0.03 0.65 0.17 0.78 0.00 0.00 0.00 179.25 180.89 2jho h GLY 23 N 1.10 0.88 0.92 0.00 0.00 -1.90 0.18 103.07 104.25 2jho h GLY 23 Ca 0.23 -0.52 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 2jho h GLY 23 CO -0.00 0.48 -0.01 0.45 0.00 0.00 0.00 176.54 177.46 2jho h HIS 24 N 0.73 0.68 -0.31 5.60 3.86 -0.76 -2.07 115.15 122.88 2jho h HIS 24 Ca 0.17 -0.12 -0.00 0.00 -1.16 0.00 0.00 60.37 59.26 2jho h HIS 24 Cb 0.26 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 2jho h HIS 24 CO 0.01 0.74 0.19 0.78 0.86 0.00 0.00 177.93 180.51 2jho h GLY 25 N 0.43 0.45 0.08 2.45 0.00 -0.53 0.08 103.07 106.02 2jho h GLY 25 Ca 0.10 -0.18 0.06 0.00 0.00 0.00 0.00 47.33 47.30 2jho h GLY 25 CO 0.02 0.18 -0.31 -1.61 0.00 0.00 0.00 176.54 174.82 2jho h GLN 26 N 0.40 -0.32 -0.59 4.80 4.15 -0.92 -0.32 115.11 122.31 2jho h GLN 26 Ca 0.11 0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.48 2jho h GLN 26 Cb 0.00 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.74 2jho h GLN 26 CO -0.02 -0.22 0.08 -0.44 -1.93 0.00 0.00 178.83 176.30 2jho h ASP 27 N -0.34 0.91 0.17 -0.69 3.32 -1.01 -1.41 116.42 117.38 2jho h ASP 27 Ca 0.12 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 2jho h ASP 27 Cb 0.53 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.84 2jho h ASP 27 CO -0.40 0.93 -0.08 0.40 -1.72 0.00 0.00 179.24 178.36 2jho h ILE 28 N 0.90 0.95 -0.49 0.35 2.04 -0.74 -0.91 117.51 119.61 2jho h ILE 28 Ca 0.18 -0.65 0.04 0.00 1.00 0.00 0.00 64.86 65.44 2jho h ILE 28 Cb 0.41 1.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 2jho h ILE 28 CO 0.01 0.15 0.23 -0.07 0.00 0.00 0.00 178.15 178.47 2jho h LEU 29 N -0.55 0.33 -0.70 1.44 3.38 -1.03 -0.20 115.31 117.97 2jho h LEU 29 Ca -0.02 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2jho h LEU 29 Cb 0.42 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 2jho h LEU 29 CO 0.04 0.23 0.36 0.40 0.09 0.00 0.00 178.44 179.56 2jho h ILE 30 N 0.46 1.23 -0.64 1.22 2.04 -1.27 0.29 117.51 120.84 2jho h ILE 30 Ca 0.22 -0.61 -0.07 0.00 1.00 0.00 0.00 64.86 65.40 2jho h ILE 30 Cb 0.14 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 2jho h ILE 30 CO -0.16 0.26 0.12 -0.09 0.00 0.00 0.00 178.15 178.28 2jho h ARG 31 N 0.98 1.04 0.06 2.37 9.65 -0.96 -0.36 114.38 127.15 2jho h ARG 31 Ca 0.24 -0.27 0.01 0.00 -1.10 0.00 0.00 59.98 58.86 2jho h ARG 31 Cb 0.09 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.53 2jho h ARG 31 CO -0.03 0.96 -0.09 1.25 2.80 0.00 0.00 179.97 184.85 2jho h LEU 32 N 0.96 -0.24 -0.77 3.80 5.85 -0.69 -0.66 115.31 123.56 2jho h LEU 32 Ca 0.20 0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.83 2jho h LEU 32 Cb 0.41 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 2jho h LEU 32 CO 0.01 -0.14 -0.33 -0.26 -0.34 0.00 0.00 178.44 177.38 2jho h PHE 33 N -0.18 0.64 0.19 1.25 0.04 -0.55 0.82 116.94 119.15 2jho h PHE 33 Ca 0.02 -0.16 -0.30 0.00 2.80 0.00 0.00 57.97 60.32 2jho h PHE 33 Cb 0.20 -0.15 0.03 0.00 2.20 0.00 0.00 35.95 38.23 2jho h PHE 33 CO -0.13 0.82 -1.30 0.87 -0.60 0.00 0.00 178.31 177.97 2jho h LYS 34 N 0.47 0.54 -0.08 1.51 1.79 -1.04 -3.03 116.57 116.74 2jho h LYS 34 Ca 0.05 -0.84 -0.15 0.00 -2.18 0.00 0.00 60.65 57.54 2jho h LYS 34 Cb 0.80 0.30 -0.01 0.00 -1.58 0.00 0.00 32.23 31.74 2jho h LYS 34 CO 0.07 1.39 -0.61 0.77 -1.08 0.00 0.00 179.45 179.99 2jho h SER 35 N 0.11 0.31 -2.47 0.86 0.02 -1.06 -3.39 113.55 107.94 2jho h SER 35 Ca -0.22 -0.18 -0.59 0.00 -0.84 0.00 0.00 61.79 59.96 2jho h SER 35 Cb 2.00 -0.09 -0.39 0.00 0.14 0.00 0.00 62.40 64.07 2jho h SER 35 CO 0.25 0.84 -0.92 1.41 -1.14 0.00 0.00 176.83 177.27 2jho n HIS 36 N -3.88 -0.27 0.31 3.45 8.25 0.28 -5.02 115.22 118.34 2jho n HIS 36 Ca -0.03 -3.46 0.18 0.00 -0.26 0.00 0.00 57.72 54.16 2jho n HIS 36 Cb 0.62 0.12 1.00 0.00 1.12 0.00 0.00 29.99 32.85 2jho n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2jho h PRO 37 N 5.57 0.00 -0.06 -0.41 0.11 -1.73 -0.17 132.00 135.30 2jho h PRO 37 Ca 0.25 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.37 2jho h PRO 37 Cb 0.88 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 2jho h PRO 37 CO 0.43 0.02 0.06 1.05 -0.21 0.00 0.00 178.00 179.35 2jho h GLU 38 N 0.00 0.00 -0.30 1.05 9.09 -1.93 -2.64 114.58 119.85 2jho h GLU 38 Ca -0.00 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.24 2jho h GLU 38 Cb 0.11 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.21 2jho h GLU 38 CO 0.00 0.00 -0.49 1.79 0.05 0.00 0.00 179.01 180.36 2jho h THR 39 N 0.00 1.28 -0.96 -1.06 1.35 -1.34 -3.13 112.91 109.04 2jho h THR 39 Ca 0.03 -1.68 0.08 0.00 -0.55 0.00 0.00 66.41 64.28 2jho h THR 39 Cb 0.15 1.57 -0.07 0.00 -1.73 0.00 0.00 68.15 68.08 2jho h THR 39 CO -0.00 0.55 0.62 0.25 -0.25 0.00 0.00 175.52 176.69 2jho h LEU 40 N 0.66 0.96 -2.38 3.87 5.85 -1.62 -1.80 115.31 120.85 2jho h LEU 40 Ca 0.03 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.77 2jho h LEU 40 Cb 1.09 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.93 2jho h LEU 40 CO 0.11 0.60 0.03 -0.08 -0.34 0.00 0.00 178.44 178.76 2jho h GLU 41 N 1.08 0.00 0.00 1.25 4.57 -1.55 -0.13 114.58 119.80 2jho h GLU 41 Ca 0.43 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.61 2jho h GLU 41 Cb 0.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 2jho h GLU 41 CO -0.18 0.00 0.00 1.63 -1.18 0.00 0.00 179.01 179.28 2jho n LYS 42 N -3.92 0.16 -3.49 1.92 4.76 -0.68 -4.41 118.16 112.50 2jho n LYS 42 Ca -0.02 0.42 -0.42 0.00 -2.87 0.00 0.00 58.31 55.41 2jho n LYS 42 Cb 0.12 -1.82 -0.07 0.00 -1.84 0.00 0.00 35.03 31.42 2jho n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2jho s PHE 43 N -3.29 3.48 0.51 2.13 0.40 -0.06 -4.89 117.98 116.26 2jho s PHE 43 Ca 0.04 -1.97 0.33 0.00 -0.60 0.00 0.00 56.93 54.73 2jho s PHE 43 Cb 0.09 -3.57 1.47 0.00 0.51 0.00 0.00 43.02 41.52 2jho s PHE 43 CO 0.34 -0.97 1.78 -0.44 0.70 0.00 0.00 175.22 176.64 2jho h ASP 44 N 8.09 0.10 0.45 1.36 3.32 -1.82 0.97 116.42 128.88 2jho h ASP 44 Ca -0.11 0.02 -0.10 0.00 0.02 0.00 0.00 57.03 56.87 2jho h ASP 44 Cb 1.05 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 2jho h ASP 44 CO 0.83 0.01 -0.45 -0.09 -1.72 0.00 0.00 179.24 177.82 2jho h ARG 45 N 0.08 0.01 0.00 3.56 2.43 -1.93 -3.34 114.38 115.19 2jho h ARG 45 Ca 0.59 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.76 2jho h ARG 45 Cb 2.19 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.74 2jho h ARG 45 CO -0.08 0.46 0.00 1.19 -1.51 0.00 0.00 179.97 180.03 2jho n PHE 46 N -4.00 0.00 0.27 2.20 3.72 -0.59 -4.82 117.46 114.25 2jho n PHE 46 Ca -0.02 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.47 2jho n PHE 46 Cb 0.48 0.00 0.39 0.00 -0.94 0.00 0.00 39.48 39.41 2jho n PHE 46 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 2jho n LYS 47 N -0.96 0.10 0.15 -1.08 2.85 0.24 -1.14 118.16 118.32 2jho n LYS 47 Ca 0.00 0.47 0.13 0.00 -1.05 0.00 0.00 58.31 57.85 2jho n LYS 47 Cb 0.00 -1.76 0.51 0.00 -0.65 0.00 0.00 35.03 33.13 2jho n LYS 47 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 177.40 178.47 2jho h HIS 48 N 0.00 0.00 -3.15 5.58 2.07 -1.86 -3.44 115.15 114.35 2jho h HIS 48 Ca 0.00 0.00 -0.55 0.00 -2.85 0.00 0.00 60.37 56.97 2jho h HIS 48 Cb 0.17 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.12 2jho h HIS 48 CO 0.00 0.00 0.64 -0.51 -3.07 0.00 0.00 177.93 174.99 2jho s LEU 49 N -4.72 4.28 -0.00 6.12 1.43 -0.30 -4.91 118.68 120.58 2jho s LEU 49 Ca 0.04 1.74 0.07 0.00 -1.03 0.00 0.00 54.13 54.95 2jho s LEU 49 Cb 0.09 -3.56 -0.09 0.00 0.03 0.00 0.00 46.19 42.66 2jho s LEU 49 CO 0.43 -0.53 0.23 0.29 0.23 0.00 0.00 176.35 177.01 2jho n LYS 50 N 5.03 2.75 -4.12 1.70 4.76 -1.26 -5.00 118.16 122.02 2jho n LYS 50 Ca 0.10 -0.03 -0.08 0.00 -2.87 0.00 0.00 58.31 55.43 2jho n LYS 50 Cb 0.47 -0.98 -0.10 0.00 -1.84 0.00 0.00 35.03 32.58 2jho n LYS 50 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2jho s THR 51 N -2.02 0.25 0.35 -0.18 -4.23 -1.26 -5.04 115.64 103.50 2jho s THR 51 Ca 0.00 -1.86 0.07 0.00 -1.18 0.00 0.00 61.69 58.73 2jho s THR 51 Cb 0.05 -1.71 0.12 0.00 1.34 0.00 0.00 72.50 72.30 2jho s THR 51 CO 0.29 -0.81 1.84 -0.08 -0.54 0.00 0.00 174.62 175.32 2jho h GLU 52 N 3.03 0.32 -0.72 3.99 4.81 -1.99 -1.42 114.58 122.60 2jho h GLU 52 Ca -0.35 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 2jho h GLU 52 Cb 1.16 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.47 2jho h GLU 52 CO 0.64 0.50 0.45 0.00 -0.73 0.00 0.00 179.01 179.86 2jho h ALA 53 N 1.52 0.91 -0.52 2.92 0.00 -1.98 0.17 119.26 122.29 2jho h ALA 53 Ca 0.05 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2jho h ALA 53 Cb 0.49 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2jho h ALA 53 CO 0.03 0.37 0.15 0.93 0.00 0.00 0.00 179.25 180.72 2jho h GLU 54 N 0.98 0.82 -0.25 0.00 5.08 -1.81 -0.94 114.58 118.46 2jho h GLU 54 Ca 0.26 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2jho h GLU 54 Cb -0.07 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 2jho h GLU 54 CO -0.05 0.77 0.15 0.52 -1.00 0.00 0.00 179.01 179.40 2jho h MET 55 N 0.72 0.33 -0.01 2.33 2.86 -0.22 -2.40 114.93 118.54 2jho h MET 55 Ca 0.17 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.74 2jho h MET 55 Cb 0.30 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 2jho h MET 55 CO -0.00 0.25 -0.19 0.87 1.06 0.00 0.00 176.91 178.89 2jho h LYS 56 N 0.31 0.02 0.00 1.72 1.57 -0.47 -2.18 116.57 117.54 2jho h LYS 56 Ca 0.09 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2jho h LYS 56 Cb 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2jho h LYS 56 CO -0.02 0.21 0.00 0.00 -0.57 0.00 0.00 179.45 179.07 2jho n ALA 57 N -2.50 2.23 -2.64 3.86 0.00 -0.38 -4.84 120.51 116.25 2jho n ALA 57 Ca -0.02 -0.08 -0.43 0.00 0.00 0.00 0.00 53.44 52.91 2jho n ALA 57 Cb 0.26 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 18.25 2jho n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jho s SER 58 N -3.21 6.97 0.23 0.00 0.15 -0.82 -4.88 113.70 112.14 2jho s SER 58 Ca 0.13 1.14 0.04 0.00 0.70 0.00 0.00 55.95 57.95 2jho s SER 58 Cb 0.17 -2.54 0.23 0.00 -1.71 0.00 0.00 66.02 62.17 2jho s SER 58 CO 0.50 -0.83 1.55 -0.33 1.20 0.00 0.00 173.24 175.33 2jho h GLU 59 N 7.96 0.26 -0.28 5.44 4.39 -1.88 -2.80 114.58 127.66 2jho h GLU 59 Ca -0.20 -0.18 -0.12 0.00 0.34 0.00 0.00 59.36 59.20 2jho h GLU 59 Cb 1.06 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 2jho h GLU 59 CO 1.02 0.79 -0.32 0.22 -1.16 0.00 0.00 179.01 179.55 2jho h ASP 60 N 0.20 0.63 -0.54 1.42 3.58 -1.97 -1.18 116.42 118.55 2jho h ASP 60 Ca -0.01 -0.25 -0.04 0.00 0.42 0.00 0.00 57.03 57.15 2jho h ASP 60 Cb 1.11 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.97 2jho h ASP 60 CO 0.10 0.91 0.18 0.25 -2.88 0.00 0.00 179.24 177.80 2jho h LEU 61 N 0.52 0.78 -0.60 2.28 5.85 -1.85 -0.69 115.31 121.60 2jho h LEU 61 Ca 0.06 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 2jho h LEU 61 Cb 0.81 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 2jho h LEU 61 CO 0.07 0.77 0.33 0.50 -0.34 0.00 0.00 178.44 179.77 2jho h LYS 62 N 0.75 0.84 -0.67 1.25 3.64 -1.23 -0.37 116.57 120.77 2jho h LYS 62 Ca 0.18 -0.10 0.06 0.00 -1.27 0.00 0.00 60.65 59.52 2jho h LYS 62 Cb 0.26 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 31.86 2jho h LYS 62 CO -0.01 0.64 0.37 -0.22 -2.27 0.00 0.00 179.45 177.96 2jho h LYS 63 N 0.81 0.67 -0.38 1.90 3.64 -0.95 -2.37 116.57 119.90 2jho h LYS 63 Ca 0.21 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.43 2jho h LYS 63 Cb 0.04 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 2jho h LYS 63 CO -0.03 0.44 -0.27 1.25 -2.27 0.00 0.00 179.45 178.57 2jho h HIS 64 N 0.69 0.90 -0.69 1.91 2.76 -0.85 -2.15 115.15 117.71 2jho h HIS 64 Ca 0.30 -0.22 0.08 0.00 -2.20 0.00 0.00 60.37 58.33 2jho h HIS 64 Cb 0.18 -0.21 -0.04 0.00 1.55 0.00 0.00 27.41 28.89 2jho h HIS 64 CO -0.08 0.96 0.46 0.78 -1.30 0.00 0.00 177.93 178.75 2jho h GLY 65 N 0.95 0.86 1.38 5.26 0.00 -0.57 -0.94 103.07 110.01 2jho h GLY 65 Ca 0.08 -0.26 -0.13 0.00 0.00 0.00 0.00 47.33 47.02 2jho h GLY 65 CO 0.07 0.18 -0.35 -2.08 0.00 0.00 0.00 176.54 174.35 2jho h VAL 66 N 0.64 1.29 -0.52 4.60 2.07 -1.00 -1.18 116.25 122.15 2jho h VAL 66 Ca 0.31 -1.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.31 2jho h VAL 66 Cb 0.37 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 2jho h VAL 66 CO -0.10 0.49 0.26 0.74 0.02 0.00 0.00 177.57 178.98 2jho h THR 67 N 0.58 1.19 0.14 2.57 2.02 -0.92 -0.09 112.91 118.39 2jho h THR 67 Ca 0.06 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 2jho h THR 67 Cb 0.87 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 2jho h THR 67 CO 0.08 0.21 -0.07 0.58 0.37 0.00 0.00 175.52 176.69 2jho h VAL 68 N 0.69 0.98 0.00 3.16 2.07 -1.06 -2.50 116.25 119.60 2jho h VAL 68 Ca 0.18 -0.55 -0.12 0.00 0.82 0.00 0.00 66.70 67.03 2jho h VAL 68 Cb 0.09 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 2jho h VAL 68 CO -0.03 0.13 -0.57 -0.07 0.02 0.00 0.00 177.57 177.05 2jho h LEU 69 N -0.45 0.00 -0.53 2.57 3.38 -1.16 -1.16 115.31 117.96 2jho h LEU 69 Ca -0.02 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.96 2jho h LEU 69 Cb 0.36 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 2jho h LEU 69 CO 0.03 0.57 0.35 0.74 0.09 0.00 0.00 178.44 180.22 2jho h THR 70 N 0.00 1.12 -0.36 0.22 2.02 -1.02 0.11 112.91 115.00 2jho h THR 70 Ca -0.01 -0.24 -0.12 0.00 0.77 0.00 0.00 66.41 66.81 2jho h THR 70 Cb 1.12 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 2jho h THR 70 CO 0.07 0.13 -0.23 0.00 0.37 0.00 0.00 175.52 175.86 2jho h ALA 71 N 1.20 0.51 -0.38 6.16 0.00 -1.07 -1.94 119.26 123.75 2jho h ALA 71 Ca 0.20 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 2jho h ALA 71 Cb -0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2jho h ALA 71 CO -0.05 0.49 -0.33 1.25 0.00 0.00 0.00 179.25 180.61 2jho h LEU 72 N 0.58 0.94 -0.44 0.00 5.85 -0.99 -1.92 115.31 119.33 2jho h LEU 72 Ca 0.07 -0.45 0.06 0.00 0.84 0.00 0.00 57.88 58.39 2jho h LEU 72 Cb 0.79 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 2jho h LEU 72 CO 0.06 1.20 0.16 1.23 -0.34 0.00 0.00 178.44 180.75 2jho h GLY 73 N 0.70 0.58 1.33 3.75 0.00 -0.73 0.60 103.07 109.30 2jho h GLY 73 Ca 0.07 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.28 2jho h GLY 73 CO 0.08 0.02 0.26 0.00 0.00 0.00 0.00 176.54 176.91 2jho h ALA 74 N 1.29 1.33 -0.25 3.60 0.00 -1.08 -1.65 119.26 122.49 2jho h ALA 74 Ca 0.21 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2jho h ALA 74 Cb 0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2jho h ALA 74 CO -0.21 0.51 -0.10 0.82 0.00 0.00 0.00 179.25 180.27 2jho h ILE 75 N 0.85 1.30 -0.30 0.00 2.04 -0.63 -2.96 117.51 117.80 2jho h ILE 75 Ca 0.21 -1.17 -0.03 0.00 1.00 0.00 0.00 64.86 64.87 2jho h ILE 75 Cb 0.13 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 2jho h ILE 75 CO -0.02 0.36 0.06 -0.07 0.00 0.00 0.00 178.15 178.48 2jho h LEU 76 N 0.24 0.40 0.00 1.44 3.38 -0.66 -1.74 115.31 118.38 2jho h LEU 76 Ca 0.06 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2jho h LEU 76 Cb 0.60 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2jho h LEU 76 CO 0.03 0.42 0.00 0.29 0.09 0.00 0.00 178.44 179.28 2jho n LYS 77 N -4.35 0.11 0.00 1.13 5.02 -0.64 -1.66 118.16 117.76 2jho n LYS 77 Ca 0.01 0.09 0.13 0.00 -2.02 0.00 0.00 58.31 56.52 2jho n LYS 77 Cb 0.18 -1.50 0.43 0.00 -0.02 0.00 0.00 35.03 34.12 2jho n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2jho n LYS 78 N -1.43 0.48 -3.83 1.97 4.76 -0.65 -4.95 118.16 114.50 2jho n LYS 78 Ca 0.07 -0.23 -0.25 0.00 -2.87 0.00 0.00 58.31 55.03 2jho n LYS 78 Cb 0.24 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.94 2jho n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2jho n LYS 79 N -1.06 -3.58 0.00 1.97 5.02 -0.66 -1.07 118.16 118.78 2jho n LYS 79 Ca 0.10 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 2jho n LYS 79 Cb 0.32 -4.70 0.00 0.00 -0.02 0.00 0.00 35.03 30.63 2jho n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jho n GLY 80 N -1.81 2.40 2.68 0.72 0.00 -1.26 -4.94 105.19 102.98 2jho n GLY 80 Ca -0.28 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 2jho n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2jho n HIS 81 N -2.00 2.67 -1.54 1.61 8.25 -0.24 -4.67 115.22 119.30 2jho n HIS 81 Ca 0.00 -2.74 0.07 0.00 -0.26 0.00 0.00 57.72 54.79 2jho n HIS 81 Cb 0.00 -1.71 0.17 0.00 1.12 0.00 0.00 29.99 29.58 2jho n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2jho n HIS 82 N 2.06 0.00 -0.33 4.41 1.44 -1.26 -4.80 115.22 116.74 2jho n HIS 82 Ca 0.49 -1.26 0.01 0.00 -2.01 0.00 0.00 57.72 54.95 2jho n HIS 82 Cb 0.29 -0.21 0.18 0.00 0.12 0.00 0.00 29.99 30.37 2jho n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 2jho h GLU 83 N 0.71 1.14 0.00 -1.40 4.22 -2.00 -0.69 114.58 116.58 2jho h GLU 83 Ca -0.02 -0.07 -0.19 0.00 0.08 0.00 0.00 59.36 59.16 2jho h GLU 83 Cb 1.07 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 2jho h GLU 83 CO 0.01 0.76 -0.87 0.00 -2.18 0.00 0.00 179.01 176.73 2jho h ALA 84 N 1.45 0.55 -0.06 2.92 0.00 -2.01 -2.28 119.26 119.84 2jho h ALA 84 Ca 0.38 -0.74 -0.23 0.00 0.00 0.00 0.00 54.91 54.32 2jho h ALA 84 Cb 0.02 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.73 2jho h ALA 84 CO -0.12 0.95 -0.90 0.93 0.00 0.00 0.00 179.25 180.12 2jho h GLU 85 N 0.07 0.62 -0.05 0.00 3.07 -1.83 -3.34 114.58 113.12 2jho h GLU 85 Ca -0.03 -0.59 -0.22 0.00 -0.50 0.00 0.00 59.36 58.02 2jho h GLU 85 Cb 1.50 0.15 0.00 0.00 -0.84 0.00 0.00 28.75 29.56 2jho h GLU 85 CO 0.13 1.21 -0.86 -0.07 -1.40 0.00 0.00 179.01 178.02 2jho h LEU 86 N 0.38 0.62 -0.76 1.33 3.38 -0.98 -3.38 115.31 115.90 2jho h LEU 86 Ca -0.08 -0.45 0.09 0.00 0.09 0.00 0.00 57.88 57.53 2jho h LEU 86 Cb 1.53 -0.19 -0.11 0.00 0.09 0.00 0.00 40.66 41.98 2jho h LEU 86 CO 0.17 1.23 -0.51 0.50 0.09 0.00 0.00 178.44 179.92 2jho h LYS 87 N 0.31 -0.14 0.00 1.13 3.64 -1.54 1.00 116.57 120.97 2jho h LYS 87 Ca -0.06 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.25 2jho h LYS 87 Cb 1.47 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.31 2jho h LYS 87 CO 0.15 -0.09 -0.34 -1.00 -2.27 0.00 0.00 179.45 175.90 2jho h PRO 88 N -0.14 0.00 -0.15 1.90 0.13 -1.77 -1.33 132.00 130.63 2jho h PRO 88 Ca 0.18 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.24 2jho h PRO 88 Cb 0.52 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.65 2jho h PRO 88 CO -0.81 0.34 -0.19 -0.07 -0.23 0.00 0.00 178.00 177.04 2jho h LEU 89 N 0.00 0.42 -0.66 1.56 3.38 -1.56 -0.03 115.31 118.43 2jho h LEU 89 Ca -0.00 -0.51 -0.09 0.00 0.09 0.00 0.00 57.88 57.37 2jho h LEU 89 Cb 0.61 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2jho h LEU 89 CO 0.04 0.85 0.01 0.00 0.09 0.00 0.00 178.44 179.43 2jho h ALA 90 N 0.59 0.87 -0.05 1.53 0.00 -0.56 -0.28 119.26 121.36 2jho h ALA 90 Ca 0.02 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 2jho h ALA 90 Cb 0.74 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2jho h ALA 90 CO 0.04 0.67 0.02 1.96 0.00 0.00 0.00 179.25 181.94 2jho h GLN 91 N 0.97 0.08 -0.32 0.00 4.20 -0.97 -0.42 115.11 118.65 2jho h GLN 91 Ca 0.18 -0.02 -0.18 0.00 0.06 0.00 0.00 58.65 58.69 2jho h GLN 91 Cb 0.54 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.31 2jho h GLN 91 CO 0.03 0.24 -0.49 0.66 -0.67 0.00 0.00 178.83 178.59 2jho h SER 92 N -0.10 0.99 -0.58 1.46 4.64 -0.95 -0.33 113.55 118.68 2jho h SER 92 Ca 0.02 -0.51 -0.07 0.00 -0.47 0.00 0.00 61.79 60.76 2jho h SER 92 Cb 0.19 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 61.98 2jho h SER 92 CO -0.00 1.31 0.11 0.45 -0.87 0.00 0.00 176.83 177.83 2jho h HIS 93 N 0.70 1.04 0.12 4.77 3.86 -1.02 0.33 115.15 124.95 2jho h HIS 93 Ca 0.03 -0.13 -0.01 0.00 -1.16 0.00 0.00 60.37 59.11 2jho h HIS 93 Cb 1.10 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 29.28 2jho h HIS 93 CO 0.07 0.88 -0.06 0.00 0.86 0.00 0.00 177.93 179.68 2jho h ALA 94 N 1.18 -0.16 0.00 2.45 0.00 -1.05 0.23 119.26 121.92 2jho h ALA 94 Ca 0.19 -0.23 -0.35 0.00 0.00 0.00 0.00 54.91 54.52 2jho h ALA 94 Cb 0.39 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 2jho h ALA 94 CO 0.01 -0.33 -2.28 0.25 0.00 0.00 0.00 179.25 176.90 2jho n THR 95 N -4.93 1.39 -0.12 0.00 -2.24 -0.14 -3.71 114.28 104.53 2jho n THR 95 Ca -0.08 -0.84 -0.23 0.00 -2.27 0.00 0.00 64.05 60.62 2jho n THR 95 Cb 0.26 -0.54 -0.08 0.00 -2.10 0.00 0.00 70.33 67.88 2jho n THR 95 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2jho n LYS 96 N -2.78 0.54 0.09 -0.78 4.81 -0.24 -4.68 118.16 115.11 2jho n LYS 96 Ca -0.30 0.23 0.12 0.00 -0.87 0.00 0.00 58.31 57.49 2jho n LYS 96 Cb 1.13 -1.42 0.18 0.00 0.02 0.00 0.00 35.03 34.94 2jho n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2jho h HIS 97 N -0.94 0.00 -6.00 5.64 3.86 -0.54 -3.48 115.15 113.69 2jho h HIS 97 Ca -0.49 0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 58.35 2jho h HIS 97 Cb 1.41 0.00 0.12 0.00 1.06 0.00 0.00 27.41 29.99 2jho h HIS 97 CO -0.17 0.00 -0.90 1.63 0.86 0.00 0.00 177.93 179.35 2jho n LYS 98 N -2.30 -1.50 -3.59 2.45 5.02 -0.36 -4.97 118.16 112.91 2jho n LYS 98 Ca 0.03 0.59 -0.39 0.00 -2.02 0.00 0.00 58.31 56.52 2jho n LYS 98 Cb 0.46 -4.60 -0.11 0.00 -0.02 0.00 0.00 35.03 30.76 2jho n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2jho s ILE 99 N -3.43 5.01 0.67 -0.18 -1.09 0.67 -5.02 121.20 117.84 2jho s ILE 99 Ca 0.46 -0.25 -0.16 0.00 -2.23 0.00 0.00 60.65 58.48 2jho s ILE 99 Cb -0.14 -3.54 0.01 0.00 -1.58 0.00 0.00 42.46 37.21 2jho s ILE 99 CO 0.83 0.06 1.15 -2.84 -1.23 0.00 0.00 174.94 172.91 2jho s PRO 100 N 1.68 2.59 0.55 2.79 0.02 -1.26 -4.69 135.00 136.68 2jho s PRO 100 Ca 0.06 1.58 0.22 0.00 0.02 0.00 0.00 61.00 62.88 2jho s PRO 100 Cb -0.17 -1.91 1.52 0.00 0.02 0.00 0.00 34.50 33.96 2jho s PRO 100 CO 0.09 -1.45 2.19 0.82 -0.33 0.00 0.00 177.00 178.32 2jho h ILE 101 N 0.03 0.78 -0.94 2.83 1.08 -1.98 0.11 117.51 119.42 2jho h ILE 101 Ca -0.48 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.08 2jho h ILE 101 Cb 1.27 0.99 -0.07 0.00 -3.07 0.00 0.00 36.82 35.94 2jho h ILE 101 CO 0.53 0.00 0.61 0.50 -0.69 0.00 0.00 178.15 179.09 2jho h LYS 102 N 0.00 0.99 0.00 2.37 1.63 -2.00 -0.03 116.57 119.53 2jho h LYS 102 Ca 0.01 -0.06 -0.07 0.00 -0.85 0.00 0.00 60.65 59.68 2jho h LYS 102 Cb 0.04 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.43 2jho h LYS 102 CO -0.00 0.66 -0.34 1.88 -3.45 0.00 0.00 179.45 178.19 2jho h TYR 103 N 1.02 0.00 -0.10 1.91 -1.99 -1.12 -1.65 116.97 115.04 2jho h TYR 103 Ca 0.42 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 61.04 2jho h TYR 103 Cb 0.29 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.01 2jho h TYR 103 CO -0.00 0.34 -0.42 -0.07 -0.00 0.00 0.00 178.16 178.01 2jho h LEU 104 N 0.00 0.24 -0.36 3.88 3.38 -1.02 -1.57 115.31 119.86 2jho h LEU 104 Ca -0.00 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 2jho h LEU 104 Cb 0.74 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 2jho h LEU 104 CO 0.04 0.64 0.11 -0.08 0.09 0.00 0.00 178.44 179.25 2jho h GLU 105 N 0.19 0.56 -0.61 1.13 4.81 -0.84 -1.41 114.58 118.40 2jho h GLU 105 Ca 0.02 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.14 2jho h GLU 105 Cb 0.83 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.10 2jho h GLU 105 CO 0.07 0.58 0.39 0.74 -0.73 0.00 0.00 179.01 180.06 2jho h PHE 106 N 0.43 0.74 0.00 0.92 0.04 -0.94 -1.26 116.94 116.87 2jho h PHE 106 Ca 0.12 0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.79 2jho h PHE 106 Cb 0.26 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.14 2jho h PHE 106 CO 0.01 0.45 -0.55 0.97 -0.60 0.00 0.00 178.31 178.58 2jho h ILE 107 N 0.79 1.36 -0.78 -0.55 2.10 -1.21 -0.64 117.51 118.57 2jho h ILE 107 Ca 0.23 -1.92 -0.05 0.00 1.08 0.00 0.00 64.86 64.20 2jho h ILE 107 Cb -0.05 2.05 -0.03 0.00 -1.09 0.00 0.00 36.82 37.70 2jho h ILE 107 CO -0.07 0.54 0.30 0.28 -1.08 0.00 0.00 178.15 178.13 2jho h SER 108 N 0.00 1.08 -0.07 2.19 0.02 -0.71 -0.19 113.55 115.87 2jho h SER 108 Ca -0.01 -0.18 -0.10 0.00 -0.84 0.00 0.00 61.79 60.67 2jho h SER 108 Cb 1.00 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 2jho h SER 108 CO 0.07 0.96 -0.25 -0.33 -1.14 0.00 0.00 176.83 176.14 2jho h GLU 109 N 1.13 0.50 -0.49 3.45 4.39 -0.72 -1.93 114.58 120.91 2jho h GLU 109 Ca 0.26 -0.19 -0.10 0.00 0.34 0.00 0.00 59.36 59.67 2jho h GLU 109 Cb 0.22 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 2jho h GLU 109 CO -0.02 0.72 -0.08 0.00 -1.16 0.00 0.00 179.01 178.47 2jho h ALA 110 N 1.29 0.66 -0.30 3.43 0.00 -0.79 -1.06 119.26 122.48 2jho h ALA 110 Ca 0.06 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.69 2jho h ALA 110 Cb 0.68 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2jho h ALA 110 CO 0.05 0.54 0.08 0.82 0.00 0.00 0.00 179.25 180.74 2jho h ILE 111 N 0.76 0.88 -0.88 0.00 2.04 -0.75 -1.51 117.51 118.05 2jho h ILE 111 Ca 0.13 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 65.93 2jho h ILE 111 Cb 0.62 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 2jho h ILE 111 CO 0.04 0.04 0.57 0.40 0.00 0.00 0.00 178.15 179.20 2jho h ILE 112 N 0.20 1.23 -0.58 -0.67 2.04 -1.15 -1.54 117.51 117.04 2jho h ILE 112 Ca 0.14 -0.43 -0.10 0.00 1.00 0.00 0.00 64.86 65.48 2jho h ILE 112 Cb 0.13 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.13 2jho h ILE 112 CO -0.16 0.22 -0.02 -0.74 0.00 0.00 0.00 178.15 177.45 2jho h HIS 113 N 1.19 1.13 -0.19 1.37 2.76 -0.93 -1.70 115.15 118.77 2jho h HIS 113 Ca 0.32 -0.20 -0.13 0.00 -2.20 0.00 0.00 60.37 58.16 2jho h HIS 113 Cb -0.13 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 28.53 2jho h HIS 113 CO -0.01 1.00 -0.43 0.28 -1.30 0.00 0.00 177.93 177.47 2jho h VAL 114 N 0.94 1.31 -0.35 5.26 2.07 -1.04 -2.55 116.25 121.90 2jho h VAL 114 Ca 0.16 -1.61 -0.02 0.00 0.82 0.00 0.00 66.70 66.06 2jho h VAL 114 Cb 0.57 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 2jho h VAL 114 CO 0.03 0.50 0.15 -0.07 0.02 0.00 0.00 177.57 178.20 2jho h LEU 115 N 0.38 0.47 -2.03 2.57 3.38 -0.87 0.35 115.31 119.55 2jho h LEU 115 Ca 0.03 -0.15 0.12 0.00 0.09 0.00 0.00 57.88 57.97 2jho h LEU 115 Cb 0.91 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 2jho h LEU 115 CO 0.08 0.49 0.32 0.45 0.09 0.00 0.00 178.44 179.86 2jho h HIS 116 N 0.42 0.00 0.44 1.13 3.86 -1.01 0.18 115.15 120.17 2jho h HIS 116 Ca 0.12 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.31 2jho h HIS 116 Cb 0.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 2jho h HIS 116 CO -0.01 0.00 -0.21 0.77 0.86 0.00 0.00 177.93 179.34 2jho h SER 117 N 0.00 -0.49 0.50 2.45 0.02 -1.02 -3.37 113.55 111.63 2jho h SER 117 Ca 0.20 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2jho h SER 117 Cb 0.83 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.50 2jho h SER 117 CO -0.00 -0.11 -0.32 0.54 -1.14 0.00 0.00 176.83 175.80 2jho n ARG 118 N -5.21 0.28 -2.70 3.45 1.74 0.12 -4.02 116.66 110.31 2jho n ARG 118 Ca -0.10 -0.14 -0.07 0.00 -0.77 0.00 0.00 57.85 56.77 2jho n ARG 118 Cb 0.29 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.29 2jho n ARG 118 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2jho n HIS 119 N -1.24 0.50 0.85 -1.55 8.25 -0.46 -4.95 115.22 116.62 2jho n HIS 119 Ca 0.08 -2.50 0.00 0.00 -0.26 0.00 0.00 57.72 55.05 2jho n HIS 119 Cb 0.33 0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.46 2jho n HIS 119 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2jho n PRO 120 N -0.30 0.85 0.00 -0.41 -0.04 -1.26 -2.30 135.00 131.54 2jho n PRO 120 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2jho n PRO 120 Cb 0.82 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 33.00 2jho n PRO 120 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jho n GLY 121 N 0.28 0.00 0.00 0.55 0.00 -1.26 -4.99 105.19 99.76 2jho n GLY 121 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jho n GLY 121 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jho n ASP 122 N -0.07 0.16 -3.63 1.61 -0.08 -0.99 -4.94 116.55 108.60 2jho n ASP 122 Ca 0.00 0.00 -0.28 0.00 -1.51 0.00 0.00 54.79 53.00 2jho n ASP 122 Cb 0.00 0.00 0.04 0.00 2.34 0.00 0.00 41.12 43.50 2jho n ASP 122 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 2jho n PHE 123 N 0.00 -2.02 -1.38 -0.67 7.35 -0.97 -4.83 117.46 114.94 2jho n PHE 123 Ca 0.00 0.55 -0.29 0.00 -0.76 0.00 0.00 57.45 56.95 2jho n PHE 123 Cb 0.00 -3.43 0.15 0.00 0.35 0.00 0.00 39.48 36.55 2jho n PHE 123 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 2jho s GLY 124 N -3.37 1.57 0.28 7.13 0.00 -1.26 -4.80 107.32 106.87 2jho s GLY 124 Ca 0.39 -0.46 0.02 0.00 0.00 0.00 0.00 44.72 44.67 2jho s GLY 124 CO 0.85 0.13 1.78 0.00 0.00 0.00 0.00 173.10 175.86 2jho h ALA 125 N -1.67 1.44 -0.51 3.20 0.00 -1.99 0.02 119.26 119.75 2jho h ALA 125 Ca -0.52 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 2jho h ALA 125 Cb 1.33 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2jho h ALA 125 CO 0.60 -0.03 0.10 0.38 0.00 0.00 0.00 179.25 180.30 2jho h ASP 126 N 0.73 0.80 -0.27 0.00 2.03 -1.99 -0.34 116.42 117.37 2jho h ASP 126 Ca 0.51 -0.25 -0.14 0.00 -0.73 0.00 0.00 57.03 56.42 2jho h ASP 126 Cb 0.71 -0.21 -0.01 0.00 -0.83 0.00 0.00 39.33 38.99 2jho h ASP 126 CO -0.36 0.84 -0.33 0.00 -1.03 0.00 0.00 179.24 178.37 2jho h ALA 127 N 0.99 0.74 -0.57 4.15 0.00 -1.68 -0.85 119.26 122.05 2jho h ALA 127 Ca 0.16 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 2jho h ALA 127 Cb 0.37 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2jho h ALA 127 CO 0.01 0.66 0.18 0.37 0.00 0.00 0.00 179.25 180.46 2jho h GLN 128 N 0.67 0.88 -0.49 0.00 4.15 -0.60 0.65 115.11 120.37 2jho h GLN 128 Ca 0.07 -0.19 0.04 0.00 0.77 0.00 0.00 58.65 59.34 2jho h GLN 128 Cb 0.88 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 28.40 2jho h GLN 128 CO 0.08 0.79 0.26 0.78 -1.93 0.00 0.00 178.83 178.82 2jho h GLY 129 N 0.79 0.69 1.22 2.39 0.00 -0.71 -0.90 103.07 106.56 2jho h GLY 129 Ca 0.18 -0.19 -0.20 0.00 0.00 0.00 0.00 47.33 47.12 2jho h GLY 129 CO -0.01 0.13 -0.68 0.00 0.00 0.00 0.00 176.54 175.99 2jho h ALA 130 N 1.25 0.41 -0.72 3.60 0.00 -0.77 -2.33 119.26 120.70 2jho h ALA 130 Ca 0.21 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 2jho h ALA 130 Cb 0.09 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2jho h ALA 130 CO -0.13 0.69 0.33 1.98 0.00 0.00 0.00 179.25 182.12 2jho h MET 131 N 0.57 1.05 -0.46 0.00 -1.53 -0.78 -0.12 114.93 113.66 2jho h MET 131 Ca -0.02 -0.17 0.09 0.00 -3.44 0.00 0.00 59.70 56.16 2jho h MET 131 Cb 1.29 -0.18 -0.08 0.00 -0.55 0.00 0.00 31.60 32.07 2jho h MET 131 CO 0.14 0.84 -0.07 -0.91 0.14 0.00 0.00 176.91 177.04 2jho h ASN 132 N 1.02 -0.35 -0.72 1.39 2.35 -0.97 -0.85 115.58 117.44 2jho h ASN 132 Ca 0.25 0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 56.12 2jho h ASN 132 Cb 0.15 0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.74 2jho h ASN 132 CO -0.03 -0.12 0.42 0.11 -1.65 0.00 0.00 177.43 176.15 2jho h LYS 133 N 0.04 0.99 -0.48 0.81 1.57 -1.00 0.14 116.57 118.63 2jho h LYS 133 Ca 0.23 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.82 2jho h LYS 133 Cb 0.35 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 2jho h LYS 133 CO -0.45 0.72 -0.03 0.00 -0.57 0.00 0.00 179.45 179.13 2jho h ALA 134 N 1.21 0.65 -0.06 3.86 0.00 -0.63 -0.25 119.26 124.05 2jho h ALA 134 Ca 0.26 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 2jho h ALA 134 Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2jho h ALA 134 CO -0.04 0.48 -0.58 -0.07 0.00 0.00 0.00 179.25 179.04 2jho h LEU 135 N 0.72 0.20 -0.63 0.00 3.38 -0.69 -1.43 115.31 116.86 2jho h LEU 135 Ca 0.13 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 2jho h LEU 135 Cb 0.55 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2jho h LEU 135 CO 0.03 0.73 0.11 -0.33 0.09 0.00 0.00 178.44 179.08 2jho h GLU 136 N 0.13 1.03 -0.63 1.13 5.08 -0.51 -0.94 114.58 119.87 2jho h GLU 136 Ca -0.00 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 58.02 2jho h GLU 136 Cb 1.06 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.16 2jho h GLU 136 CO 0.09 0.95 0.13 1.25 -1.00 0.00 0.00 179.01 180.43 2jho h LEU 137 N 0.94 0.97 -0.20 1.33 5.85 -0.76 0.13 115.31 123.58 2jho h LEU 137 Ca 0.19 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.71 2jho h LEU 137 Cb 0.42 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 2jho h LEU 137 CO 0.01 0.97 -0.06 0.15 -0.34 0.00 0.00 178.44 179.17 2jho h PHE 138 N 0.94 -0.14 -0.53 1.25 3.57 -1.03 -1.86 116.94 119.14 2jho h PHE 138 Ca 0.19 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 2jho h PHE 138 Cb 0.39 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 2jho h PHE 138 CO 0.03 -0.10 0.13 0.00 -2.23 0.00 0.00 178.31 176.13 2jho h ARG 139 N -0.02 0.86 -0.53 1.11 3.08 -0.70 -1.82 114.38 116.36 2jho h ARG 139 Ca 0.10 -0.21 0.07 0.00 0.07 0.00 0.00 59.98 60.02 2jho h ARG 139 Cb 0.17 -0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.04 2jho h ARG 139 CO -0.21 0.81 0.19 -0.22 -1.07 0.00 0.00 179.97 179.46 2jho h LYS 140 N 0.75 0.35 -0.05 0.04 3.64 -0.58 0.19 116.57 120.91 2jho h LYS 140 Ca 0.17 -0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.34 2jho h LYS 140 Cb 0.34 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 2jho h LYS 140 CO 0.00 0.23 -0.77 -0.44 -2.27 0.00 0.00 179.45 176.21 2jho h ASP 141 N 0.36 0.40 -0.38 4.20 3.32 -1.13 -2.22 116.42 120.97 2jho h ASP 141 Ca 0.26 -0.28 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 2jho h ASP 141 Cb 0.29 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 2jho h ASP 141 CO -0.26 1.02 -0.17 0.40 -1.72 0.00 0.00 179.24 178.51 2jho h ILE 142 N 0.21 1.27 -0.37 0.35 1.08 -1.05 -3.08 117.51 115.93 2jho h ILE 142 Ca -0.04 -1.29 -0.04 0.00 -0.39 0.00 0.00 64.86 63.10 2jho h ILE 142 Cb 1.35 1.10 -0.02 0.00 -3.07 0.00 0.00 36.82 36.19 2jho h ILE 142 CO 0.13 0.44 0.06 0.00 -0.69 0.00 0.00 178.15 178.08 2jho h ALA 143 N 1.05 1.40 -0.33 1.87 0.00 -0.35 0.31 119.26 123.21 2jho h ALA 143 Ca 0.11 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 2jho h ALA 143 Cb 0.69 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2jho h ALA 143 CO 0.05 0.43 -0.15 0.00 0.00 0.00 0.00 179.25 179.58 2jho h ALA 144 N 1.52 1.13 0.15 0.00 0.00 -1.32 0.25 119.26 120.99 2jho h ALA 144 Ca 0.12 -0.30 -0.30 0.00 0.00 0.00 0.00 54.91 54.43 2jho h ALA 144 Cb 0.27 -0.15 0.03 0.00 0.00 0.00 0.00 17.79 17.94 2jho h ALA 144 CO 0.00 0.55 -1.28 0.87 0.00 0.00 0.00 179.25 179.38 2jho h LYS 145 N 0.54 0.55 -0.70 0.00 1.79 -1.22 -2.52 116.57 115.01 2jho h LYS 145 Ca 0.09 -0.79 0.14 0.00 -2.18 0.00 0.00 60.65 57.92 2jho h LYS 145 Cb 0.56 0.27 -0.10 0.00 -1.58 0.00 0.00 32.23 31.38 2jho h LYS 145 CO 0.04 1.36 0.16 1.88 -1.08 0.00 0.00 179.45 181.80 2jho h TYR 146 N 0.22 0.24 -0.60 -1.35 -1.99 -0.69 -1.69 116.97 111.12 2jho h TYR 146 Ca -0.19 0.04 -0.08 0.00 2.00 0.00 0.00 58.73 60.50 2jho h TYR 146 Cb 1.96 -0.00 -0.02 0.00 2.00 0.00 0.00 36.73 40.67 2jho h TYR 146 CO 0.11 -0.07 0.05 -0.22 -0.00 0.00 0.00 178.16 178.03 2jho h LYS 147 N 0.27 1.00 -0.43 4.88 3.64 -0.87 0.28 116.57 125.34 2jho h LYS 147 Ca 0.38 -0.28 0.02 0.00 -1.27 0.00 0.00 60.65 59.51 2jho h LYS 147 Cb 0.63 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 2jho h LYS 147 CO -0.48 0.96 0.24 1.49 -2.27 0.00 0.00 179.45 179.38 2jho h GLU 148 N 0.93 0.47 0.00 1.90 4.81 -1.08 -2.05 114.58 119.56 2jho h GLU 148 Ca 0.18 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2jho h GLU 148 Cb 0.48 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.75 2jho h GLU 148 CO 0.02 0.31 0.00 1.28 -0.73 0.00 0.00 179.01 179.89 2jho n LEU 149 N -4.87 0.00 0.00 1.64 4.77 -0.67 -4.89 117.00 112.99 2jho n LEU 149 Ca 0.02 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 2jho n LEU 149 Cb 0.08 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 2jho n LEU 149 CO 0.32 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 2jho n GLY 150 N 0.75 0.55 0.00 -0.72 0.00 -0.57 -4.95 105.19 100.26 2jho n GLY 150 Ca 0.10 -0.72 0.06 0.00 0.00 0.00 0.00 46.02 45.47 2jho n GLY 150 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jho n TYR 151 N -2.74 0.00 -4.47 1.61 4.02 0.87 -4.98 117.16 111.46 2jho n TYR 151 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.55 2jho n TYR 151 Cb 0.00 -0.10 -0.14 0.00 -0.02 0.00 0.00 39.34 39.08 2jho n TYR 151 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 2jho s GLN 152 N -2.40 3.46 0.00 -0.72 -0.44 -0.90 -4.81 119.66 113.85 2jho s GLN 152 Ca 0.01 -0.63 0.00 0.00 -2.50 0.00 0.00 55.36 52.25 2jho s GLN 152 Cb 0.09 -2.79 0.00 0.00 -1.64 0.00 0.00 33.01 28.66 2jho s GLN 152 CO 0.50 0.13 0.05 0.41 0.50 0.00 0.00 175.29 176.88