#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2mye s LEU 2 N 0.00 4.29 1.01 1.34 1.02 -1.26 -5.05 118.68 120.03 2mye s LEU 2 Ca 0.00 1.95 -0.15 0.00 0.02 0.00 0.00 54.13 55.94 2mye s LEU 2 Cb 0.00 -4.04 0.20 0.00 0.02 0.00 0.00 46.19 42.37 2mye s LEU 2 CO 0.00 -0.22 1.19 -0.94 0.02 0.00 0.00 176.35 176.40 2mye s SER 3 N -1.53 2.68 0.22 2.29 1.04 -1.26 -4.84 113.70 112.30 2mye s SER 3 Ca 0.52 0.65 -0.01 0.00 0.48 0.00 0.00 55.95 57.59 2mye s SER 3 Cb -0.21 -0.96 0.21 0.00 0.10 0.00 0.00 66.02 65.15 2mye s SER 3 CO 0.27 -3.03 1.58 -0.08 0.98 0.00 0.00 173.24 172.95 2mye h GLU 4 N -1.84 0.53 -0.14 4.02 4.57 -1.99 -1.37 114.58 118.35 2mye h GLU 4 Ca -0.47 -0.28 -0.09 0.00 -1.18 0.00 0.00 59.36 57.34 2mye h GLU 4 Cb 1.29 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.88 2mye h GLU 4 CO 0.47 0.87 -0.31 0.78 -1.18 0.00 0.00 179.01 179.63 2mye h GLY 5 N 1.08 0.30 1.24 1.92 0.00 -1.99 -0.26 103.07 105.36 2mye h GLY 5 Ca 0.03 -0.25 -0.18 0.00 0.00 0.00 0.00 47.33 46.93 2mye h GLY 5 CO 0.08 0.23 -0.56 0.83 0.00 0.00 0.00 176.54 177.12 2mye h GLU 6 N 0.24 0.79 -0.57 4.80 5.08 -1.65 -2.60 114.58 120.67 2mye h GLU 6 Ca 0.03 -0.51 -0.04 0.00 -1.00 0.00 0.00 59.36 57.84 2mye h GLU 6 Cb 0.68 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 2mye h GLU 6 CO 0.05 1.14 0.17 -1.49 -1.00 0.00 0.00 179.01 177.88 2mye h TRP 7 N 0.60 0.88 -0.89 4.33 -0.00 -0.80 -2.25 115.95 117.83 2mye h TRP 7 Ca 0.01 -0.07 -0.01 0.00 -0.00 0.00 0.00 58.89 58.82 2mye h TRP 7 Cb 1.15 -0.26 -0.04 0.00 -0.00 0.00 0.00 29.16 30.01 2mye h TRP 7 CO 0.07 0.72 0.52 1.96 -0.00 0.00 0.00 178.44 181.70 2mye h GLN 8 N 0.84 1.23 -0.81 0.49 4.20 -0.84 -0.92 115.11 119.30 2mye h GLN 8 Ca 0.19 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.74 2mye h GLN 8 Cb 0.25 -0.25 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 2mye h GLN 8 CO -0.01 0.88 0.36 -0.07 -0.67 0.00 0.00 178.83 179.32 2mye h LEU 9 N 1.24 1.09 -0.18 1.46 3.38 -1.07 -0.16 115.31 121.07 2mye h LEU 9 Ca 0.32 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 2mye h LEU 9 Cb -0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 2mye h LEU 9 CO -0.06 0.94 -0.01 0.58 0.09 0.00 0.00 178.44 179.98 2mye h VAL 10 N 1.17 1.26 0.00 1.22 2.07 -1.01 -2.81 116.25 118.16 2mye h VAL 10 Ca 0.28 -0.90 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 2mye h VAL 10 Cb 0.16 1.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2mye h VAL 10 CO -0.03 0.27 -0.14 -0.07 0.02 0.00 0.00 177.57 177.62 2mye h LEU 11 N 0.06 0.00 -0.22 2.57 3.38 -1.08 -1.58 115.31 118.44 2mye h LEU 11 Ca 0.05 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2mye h LEU 11 Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2mye h LEU 11 CO 0.01 0.14 -0.06 -0.74 0.09 0.00 0.00 178.44 177.89 2mye h HIS 12 N 0.00 0.48 -0.40 1.13 2.76 -0.96 -1.67 115.15 116.49 2mye h HIS 12 Ca -0.00 -0.11 -0.13 0.00 -2.20 0.00 0.00 60.37 57.93 2mye h HIS 12 Cb 1.07 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.90 2mye h HIS 12 CO 0.00 0.67 -0.27 0.28 -1.30 0.00 0.00 177.93 177.31 2mye h VAL 13 N 0.16 1.27 -0.38 5.26 2.07 -1.48 -3.10 116.25 120.05 2mye h VAL 13 Ca 0.06 -1.42 -0.02 0.00 0.82 0.00 0.00 66.70 66.14 2mye h VAL 13 Cb 0.52 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 2mye h VAL 13 CO 0.02 0.48 0.15 -0.25 0.02 0.00 0.00 177.57 177.99 2mye h TRP 14 N 0.72 0.52 0.00 1.57 2.91 -1.14 0.50 115.95 121.03 2mye h TRP 14 Ca 0.09 -0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.08 2mye h TRP 14 Cb 0.82 -0.17 -0.00 0.00 -0.51 0.00 0.00 29.16 29.30 2mye h TRP 14 CO 0.05 0.41 -0.05 0.00 -1.03 0.00 0.00 178.44 177.82 2mye h ALA 15 N 1.64 1.39 -0.07 2.65 0.00 -1.22 0.66 119.26 124.31 2mye h ALA 15 Ca 0.13 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 2mye h ALA 15 Cb 0.11 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.90 2mye h ALA 15 CO -0.01 0.06 -0.55 0.87 0.00 0.00 0.00 179.25 179.62 2mye h LYS 16 N 0.00 0.50 -0.72 0.00 1.79 -0.96 -3.11 116.57 114.07 2mye h LYS 16 Ca -0.00 -0.44 0.06 0.00 -2.18 0.00 0.00 60.65 58.08 2mye h LYS 16 Cb 0.15 0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 30.86 2mye h LYS 16 CO 0.01 1.08 0.47 0.28 -1.08 0.00 0.00 179.45 180.21 2mye h VAL 17 N 0.07 1.04 0.00 0.50 2.07 -0.19 -2.15 116.25 117.59 2mye h VAL 17 Ca -0.05 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.20 2mye h VAL 17 Cb 1.22 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 2mye h VAL 17 CO 0.11 0.14 0.00 -0.62 0.02 0.00 0.00 177.57 177.22 2mye n GLU 18 N -4.47 0.01 0.28 1.57 1.02 -0.17 -1.42 120.64 117.45 2mye n GLU 18 Ca 0.10 0.23 0.18 0.00 -0.02 0.00 0.00 57.16 57.64 2mye n GLU 18 Cb 0.20 -1.51 0.72 0.00 -0.02 0.00 0.00 31.44 30.82 2mye n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2mye h ALA 19 N 2.55 1.00 -0.35 0.62 0.00 -1.44 -3.35 119.26 118.29 2mye h ALA 19 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 2mye h ALA 19 Cb 0.28 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.90 2mye h ALA 19 CO 0.00 0.00 -0.56 -3.47 0.00 0.00 0.00 179.25 175.22 2mye n ASP 20 N -3.07 -2.59 -0.24 0.00 2.03 -0.51 -5.00 116.55 107.17 2mye n ASP 20 Ca 0.00 -3.19 -0.07 0.00 0.52 0.00 0.00 54.79 52.05 2mye n ASP 20 Cb 0.29 1.53 0.04 0.00 -0.72 0.00 0.00 41.12 42.26 2mye n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2mye h VAL 21 N 3.11 1.24 -0.18 5.18 2.07 -1.67 -2.43 116.25 123.57 2mye h VAL 21 Ca -0.10 -0.75 -0.14 0.00 0.82 0.00 0.00 66.70 66.53 2mye h VAL 21 Cb 1.02 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2mye h VAL 21 CO 0.31 0.30 -0.47 0.00 0.02 0.00 0.00 177.57 177.73 2mye h ALA 22 N 1.11 0.86 -0.15 1.67 0.00 -1.91 0.29 119.26 121.14 2mye h ALA 22 Ca 0.22 -0.47 -0.21 0.00 0.00 0.00 0.00 54.91 54.46 2mye h ALA 22 Cb 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2mye h ALA 22 CO -0.02 0.66 -0.74 0.78 0.00 0.00 0.00 179.25 179.93 2mye h GLY 23 N 1.15 0.76 1.04 0.00 0.00 -1.91 -1.91 103.07 102.20 2mye h GLY 23 Ca 0.02 -1.05 -0.04 0.00 0.00 0.00 0.00 47.33 46.26 2mye h GLY 23 CO 0.08 0.94 0.33 0.45 0.00 0.00 0.00 176.54 178.34 2mye h HIS 24 N 0.48 1.16 -0.58 5.60 3.86 -1.18 -2.20 115.15 122.29 2mye h HIS 24 Ca -0.04 -0.08 -0.10 0.00 -1.16 0.00 0.00 60.37 58.99 2mye h HIS 24 Cb 1.35 -0.35 -0.02 0.00 1.06 0.00 0.00 27.41 29.45 2mye h HIS 24 CO 0.07 0.87 -0.02 0.78 0.86 0.00 0.00 177.93 180.49 2mye h GLY 25 N 1.11 1.12 0.84 2.45 0.00 -0.76 -1.94 103.07 105.91 2mye h GLY 25 Ca 0.26 -0.84 0.01 0.00 0.00 0.00 0.00 47.33 46.75 2mye h GLY 25 CO -0.02 0.78 -0.08 1.46 0.00 0.00 0.00 176.54 178.67 2mye h GLN 26 N 0.93 -0.15 -0.90 4.80 4.20 -1.17 -1.49 115.11 121.34 2mye h GLN 26 Ca 0.16 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.89 2mye h GLN 26 Cb 0.58 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.35 2mye h GLN 26 CO 0.03 -0.10 0.59 -0.44 -0.67 0.00 0.00 178.83 178.25 2mye h ASP 27 N -0.15 1.04 -0.10 1.46 3.32 -1.22 -1.26 116.42 119.50 2mye h ASP 27 Ca 0.02 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 2mye h ASP 27 Cb 0.17 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 2mye h ASP 27 CO -0.05 0.75 -0.13 0.40 -1.72 0.00 0.00 179.24 178.49 2mye h ILE 28 N 1.22 1.38 -0.60 0.35 2.04 -1.19 -1.27 117.51 119.43 2mye h ILE 28 Ca 0.33 -1.34 -0.04 0.00 1.00 0.00 0.00 64.86 64.81 2mye h ILE 28 Cb -0.13 2.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 2mye h ILE 28 CO -0.07 0.38 0.22 -0.07 0.00 0.00 0.00 178.15 178.61 2mye h LEU 29 N -0.17 0.86 -0.51 1.44 3.38 -1.21 -1.06 115.31 118.03 2mye h LEU 29 Ca 0.01 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 2mye h LEU 29 Cb 0.67 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2mye h LEU 29 CO 0.03 0.82 0.12 0.40 0.09 0.00 0.00 178.44 179.90 2mye h ILE 30 N 0.85 1.24 -0.41 1.22 2.04 -1.22 -0.05 117.51 121.19 2mye h ILE 30 Ca 0.20 -0.85 0.06 0.00 1.00 0.00 0.00 64.86 65.26 2mye h ILE 30 Cb 0.25 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 2mye h ILE 30 CO -0.01 0.31 0.12 -0.09 0.00 0.00 0.00 178.15 178.47 2mye h ARG 31 N 0.71 0.26 -0.36 2.37 2.43 -1.06 -0.66 114.38 118.05 2mye h ARG 31 Ca 0.16 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.36 2mye h ARG 31 Cb 0.33 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.79 2mye h ARG 31 CO 0.00 0.17 0.12 1.25 -1.51 0.00 0.00 179.97 180.00 2mye h LEU 32 N 0.26 0.11 -0.44 3.80 5.85 -0.95 -0.64 115.31 123.30 2mye h LEU 32 Ca 0.19 0.04 -0.18 0.00 0.84 0.00 0.00 57.88 58.78 2mye h LEU 32 Cb 0.20 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2mye h LEU 32 CO -0.22 0.10 -0.75 -0.26 -0.34 0.00 0.00 178.44 176.97 2mye h PHE 33 N 0.26 0.35 -0.15 1.25 0.04 -0.71 0.32 116.94 118.30 2mye h PHE 33 Ca 0.17 -0.16 -0.20 0.00 2.80 0.00 0.00 57.97 60.57 2mye h PHE 33 Cb 0.15 -0.05 0.01 0.00 2.20 0.00 0.00 35.95 38.26 2mye h PHE 33 CO -0.15 0.91 -0.70 0.87 -0.60 0.00 0.00 178.31 178.63 2mye h LYS 34 N 0.17 0.75 -0.06 1.51 1.57 -1.06 -3.14 116.57 116.30 2mye h LYS 34 Ca -0.03 -0.60 -0.21 0.00 -1.87 0.00 0.00 60.65 57.94 2mye h LYS 34 Cb 1.32 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.75 2mye h LYS 34 CO 0.12 1.21 -0.83 0.77 -0.57 0.00 0.00 179.45 180.15 2mye h SER 35 N 0.46 0.62 -3.04 0.86 0.02 -1.01 -3.38 113.55 108.08 2mye h SER 35 Ca -0.04 -0.44 -0.61 0.00 -0.84 0.00 0.00 61.79 59.85 2mye h SER 35 Cb 1.34 -0.19 -0.40 0.00 0.14 0.00 0.00 62.40 63.29 2mye h SER 35 CO 0.15 1.22 -0.75 -1.00 -1.14 0.00 0.00 176.83 175.30 2mye s HIS 36 N -3.51 2.24 0.55 3.45 3.76 0.09 -5.00 115.29 116.87 2mye s HIS 36 Ca -0.07 -2.70 0.22 0.00 -0.15 0.00 0.00 55.06 52.36 2mye s HIS 36 Cb 0.09 -1.87 1.49 0.00 1.11 0.00 0.00 32.58 33.39 2mye s HIS 36 CO 0.87 -0.72 2.18 -1.35 -0.85 0.00 0.00 174.74 174.87 2mye h PRO 37 N 5.98 0.00 -0.15 8.40 0.11 -1.74 -1.34 132.00 143.27 2mye h PRO 37 Ca 0.12 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.27 2mye h PRO 37 Cb 0.87 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 2mye h PRO 37 CO 0.53 0.00 0.14 1.05 -0.21 0.00 0.00 178.00 179.51 2mye h GLU 38 N 0.00 0.00 0.00 1.05 9.09 -1.93 -2.34 114.58 120.45 2mye h GLU 38 Ca 0.02 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.36 2mye h GLU 38 Cb 0.07 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.16 2mye h GLU 38 CO -0.00 0.00 -0.32 1.79 0.05 0.00 0.00 179.01 180.53 2mye h THR 39 N 0.00 0.89 -0.14 -1.06 1.35 -1.57 -2.84 112.91 109.53 2mye h THR 39 Ca 0.07 -1.27 -0.09 0.00 -0.55 0.00 0.00 66.41 64.58 2mye h THR 39 Cb 0.35 1.76 -0.01 0.00 -1.73 0.00 0.00 68.15 68.52 2mye h THR 39 CO -0.00 0.31 -0.30 0.25 -0.25 0.00 0.00 175.52 175.53 2mye h LEU 40 N 0.00 0.27 -1.22 3.87 5.85 -1.59 -2.28 115.31 120.21 2mye h LEU 40 Ca -0.00 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2mye h LEU 40 Cb 0.74 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.69 2mye h LEU 40 CO 0.04 0.57 0.00 1.21 -0.34 0.00 0.00 178.44 179.92 2mye n GLU 41 N -4.12 0.12 0.04 1.25 4.07 -1.07 -1.41 120.64 119.52 2mye n GLU 41 Ca -0.01 0.62 0.14 0.00 -0.06 0.00 0.00 57.16 57.84 2mye n GLU 41 Cb 0.40 -1.89 0.54 0.00 -0.06 0.00 0.00 31.44 30.42 2mye n GLU 41 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2mye n LYS 42 N -2.15 0.10 -3.74 5.31 4.76 -0.86 -4.60 118.16 116.98 2mye n LYS 42 Ca -0.01 0.08 -0.37 0.00 -2.87 0.00 0.00 58.31 55.14 2mye n LYS 42 Cb 0.03 -1.62 -0.11 0.00 -1.84 0.00 0.00 35.03 31.49 2mye n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2mye s PHE 43 N -3.04 3.48 0.40 2.13 0.08 -0.50 -4.93 117.98 115.60 2mye s PHE 43 Ca 0.13 -2.12 0.11 0.00 0.12 0.00 0.00 56.93 55.17 2mye s PHE 43 Cb 0.16 -3.03 0.93 0.00 -0.57 0.00 0.00 43.02 40.52 2mye s PHE 43 CO 0.55 -0.93 1.95 -0.44 -0.10 0.00 0.00 175.22 176.26 2mye h ASP 44 N 8.14 0.49 1.06 1.36 3.32 -1.84 -2.04 116.42 126.91 2mye h ASP 44 Ca -0.17 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.90 2mye h ASP 44 Cb 1.06 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.52 2mye h ASP 44 CO 0.70 0.29 0.00 -2.11 -1.72 0.00 0.00 179.24 176.39 2mye n ARG 45 N -4.49 0.12 0.00 3.56 1.85 -1.26 -3.03 116.66 113.41 2mye n ARG 45 Ca 0.12 0.17 0.02 0.00 -1.00 0.00 0.00 57.85 57.16 2mye n ARG 45 Cb 0.38 -1.66 0.01 0.00 -1.05 0.00 0.00 32.46 30.14 2mye n ARG 45 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2mye n PHE 46 N -1.87 0.00 0.17 2.89 3.72 -0.89 -4.71 117.46 116.77 2mye n PHE 46 Ca 0.05 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.61 2mye n PHE 46 Cb 0.33 0.00 0.75 0.00 -0.94 0.00 0.00 39.48 39.62 2mye n PHE 46 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2mye h LYS 47 N 0.82 0.00 0.00 -1.08 1.57 -1.30 -1.69 116.57 114.89 2mye h LYS 47 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2mye h LYS 47 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2mye h LYS 47 CO 0.00 0.00 0.00 -2.39 -0.57 0.00 0.00 179.45 176.49 2mye n HIS 48 N -4.15 0.54 -2.64 -1.35 1.44 -1.26 -4.79 115.22 103.02 2mye n HIS 48 Ca 0.02 0.19 -0.43 0.00 -2.01 0.00 0.00 57.72 55.49 2mye n HIS 48 Cb 0.32 -0.80 -0.02 0.00 0.12 0.00 0.00 29.99 29.61 2mye n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2mye s LEU 49 N -3.94 3.98 -0.07 2.39 1.43 -0.64 -4.91 118.68 116.92 2mye s LEU 49 Ca 0.08 1.15 0.14 0.00 -1.03 0.00 0.00 54.13 54.48 2mye s LEU 49 Cb 0.12 -3.54 -0.21 0.00 0.03 0.00 0.00 46.19 42.59 2mye s LEU 49 CO 0.45 -0.83 0.21 0.29 0.23 0.00 0.00 176.35 176.70 2mye n LYS 50 N 6.73 1.00 -4.42 1.70 4.76 -1.26 -4.98 118.16 121.68 2mye n LYS 50 Ca 0.12 -0.08 -0.21 0.00 -2.87 0.00 0.00 58.31 55.27 2mye n LYS 50 Cb 0.47 -1.36 -0.10 0.00 -1.84 0.00 0.00 35.03 32.19 2mye n LYS 50 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2mye s THR 51 N -2.74 1.32 0.30 -0.18 -4.23 -1.26 -5.02 115.64 103.83 2mye s THR 51 Ca -0.06 -2.05 0.06 0.00 -1.18 0.00 0.00 61.69 58.47 2mye s THR 51 Cb 0.07 -2.60 0.05 0.00 1.34 0.00 0.00 72.50 71.36 2mye s THR 51 CO 0.61 -0.16 1.72 -0.08 -0.54 0.00 0.00 174.62 176.16 2mye h GLU 52 N 2.23 0.26 -0.51 3.99 4.81 -1.99 -1.89 114.58 121.48 2mye h GLU 52 Ca -0.40 -0.12 -0.10 0.00 -0.13 0.00 0.00 59.36 58.61 2mye h GLU 52 Cb 1.24 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 2mye h GLU 52 CO 0.68 0.61 -0.10 0.00 -0.73 0.00 0.00 179.01 179.47 2mye h ALA 53 N 1.38 0.86 -0.43 2.92 0.00 -1.99 -0.21 119.26 121.80 2mye h ALA 53 Ca 0.02 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 2mye h ALA 53 Cb 0.78 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2mye h ALA 53 CO 0.06 0.65 0.01 0.93 0.00 0.00 0.00 179.25 180.90 2mye h GLU 54 N 0.84 0.69 -0.25 0.00 5.08 -1.85 -2.03 114.58 117.06 2mye h GLU 54 Ca 0.14 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2mye h GLU 54 Cb 0.63 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2mye h GLU 54 CO 0.04 0.70 -0.01 0.52 -1.00 0.00 0.00 179.01 179.27 2mye h MET 55 N 0.65 0.45 0.00 2.33 2.86 -0.97 -2.41 114.93 117.85 2mye h MET 55 Ca 0.13 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 2mye h MET 55 Cb 0.39 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.01 2mye h MET 55 CO 0.01 0.63 -0.04 0.87 1.06 0.00 0.00 176.91 179.44 2mye h LYS 56 N 0.23 0.00 -0.00 1.72 1.57 -0.74 -2.78 116.57 116.57 2mye h LYS 56 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2mye h LYS 56 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2mye h LYS 56 CO 0.01 0.04 -0.46 0.00 -0.57 0.00 0.00 179.45 178.48 2mye n ALA 57 N -2.31 3.47 -2.63 3.86 0.00 -0.79 -4.86 120.51 117.25 2mye n ALA 57 Ca -0.03 -0.37 -0.43 0.00 0.00 0.00 0.00 53.44 52.62 2mye n ALA 57 Cb 0.13 -1.12 -0.02 0.00 0.00 0.00 0.00 19.45 18.44 2mye n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2mye s SER 58 N -2.89 6.88 0.27 0.00 0.15 -1.03 -4.90 113.70 112.17 2mye s SER 58 Ca 0.14 0.97 0.07 0.00 0.70 0.00 0.00 55.95 57.83 2mye s SER 58 Cb 0.18 -2.53 0.35 0.00 -1.71 0.00 0.00 66.02 62.30 2mye s SER 58 CO 0.66 -0.88 1.61 -0.08 1.20 0.00 0.00 173.24 175.76 2mye h GLU 59 N 8.17 0.14 -0.29 5.44 4.57 -1.89 -2.52 114.58 128.20 2mye h GLU 59 Ca -0.21 -0.09 -0.05 0.00 -1.18 0.00 0.00 59.36 57.83 2mye h GLU 59 Cb 1.06 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.65 2mye h GLU 59 CO 1.02 0.67 -0.00 0.22 -1.18 0.00 0.00 179.01 179.74 2mye h ASP 60 N 0.11 0.50 -0.63 1.04 3.58 -1.97 -0.36 116.42 118.69 2mye h ASP 60 Ca -0.00 -0.31 0.07 0.00 0.42 0.00 0.00 57.03 57.20 2mye h ASP 60 Cb 1.03 -0.13 -0.06 0.00 1.72 0.00 0.00 39.33 41.89 2mye h ASP 60 CO 0.08 0.69 0.31 0.25 -2.88 0.00 0.00 179.24 177.70 2mye h LEU 61 N 0.30 0.43 -0.80 2.28 5.85 -1.89 -1.93 115.31 119.55 2mye h LEU 61 Ca 0.08 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 2mye h LEU 61 Cb 0.44 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 2mye h LEU 61 CO 0.02 0.27 0.40 0.50 -0.34 0.00 0.00 178.44 179.29 2mye h LYS 62 N 0.57 1.15 -0.60 1.25 3.64 -1.21 -0.49 116.57 120.89 2mye h LYS 62 Ca 0.29 -0.16 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 2mye h LYS 62 Cb 0.24 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 2mye h LYS 62 CO -0.21 0.88 0.16 0.87 -2.27 0.00 0.00 179.45 178.88 2mye h LYS 63 N 1.13 0.93 0.00 1.90 1.57 -0.82 -2.39 116.57 118.89 2mye h LYS 63 Ca 0.28 -0.19 -0.12 0.00 -1.87 0.00 0.00 60.65 58.75 2mye h LYS 63 Cb 0.10 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 2mye h LYS 63 CO -0.04 0.81 -0.58 0.45 -0.57 0.00 0.00 179.45 179.53 2mye h HIS 64 N 0.89 0.00 -0.62 -1.35 3.86 -0.53 -2.56 115.15 114.85 2mye h HIS 64 Ca 0.20 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.36 2mye h HIS 64 Cb 0.29 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.74 2mye h HIS 64 CO 0.02 0.58 0.20 0.78 0.86 0.00 0.00 177.93 180.37 2mye h GLY 65 N 2.27 1.01 1.06 2.45 0.00 -0.73 -1.69 103.07 107.44 2mye h GLY 65 Ca -0.01 -0.56 -0.05 0.00 0.00 0.00 0.00 47.33 46.72 2mye h GLY 65 CO 0.07 0.52 0.30 -2.08 0.00 0.00 0.00 176.54 175.36 2mye h VAL 66 N 0.91 1.26 -0.27 4.60 2.07 -1.19 -2.03 116.25 121.61 2mye h VAL 66 Ca 0.21 -0.84 0.02 0.00 0.82 0.00 0.00 66.70 66.90 2mye h VAL 66 Cb 0.25 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 2mye h VAL 66 CO -0.01 0.34 0.12 0.74 0.02 0.00 0.00 177.57 178.78 2mye h THR 67 N 1.15 0.97 -0.23 2.57 2.02 -1.03 -0.41 112.91 117.95 2mye h THR 67 Ca 0.26 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.33 2mye h THR 67 Cb 0.24 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 2mye h THR 67 CO -0.02 0.05 0.05 0.58 0.37 0.00 0.00 175.52 176.55 2mye h VAL 68 N 0.26 1.21 0.00 3.16 2.07 -1.20 -2.50 116.25 119.25 2mye h VAL 68 Ca 0.11 -0.69 -0.13 0.00 0.82 0.00 0.00 66.70 66.81 2mye h VAL 68 Cb 0.05 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 2mye h VAL 68 CO -0.09 0.22 -0.61 -0.07 0.02 0.00 0.00 177.57 177.04 2mye h LEU 69 N 0.18 0.00 -0.79 2.57 3.38 -1.24 -1.09 115.31 118.33 2mye h LEU 69 Ca 0.07 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 2mye h LEU 69 Cb 0.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2mye h LEU 69 CO 0.00 0.61 -0.11 0.74 0.09 0.00 0.00 178.44 179.77 2mye h THR 70 N 0.00 1.26 0.00 0.22 2.02 -0.96 -0.04 112.91 115.40 2mye h THR 70 Ca -0.01 -1.18 -0.25 0.00 0.77 0.00 0.00 66.41 65.75 2mye h THR 70 Cb 1.12 1.04 0.01 0.00 -1.74 0.00 0.00 68.15 68.58 2mye h THR 70 CO 0.08 0.40 -1.00 0.00 0.37 0.00 0.00 175.52 175.37 2mye h ALA 71 N 1.15 0.24 -0.41 6.16 0.00 -1.21 -2.22 119.26 122.98 2mye h ALA 71 Ca 0.12 -0.70 -0.10 0.00 0.00 0.00 0.00 54.91 54.22 2mye h ALA 71 Cb 0.60 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2mye h ALA 71 CO 0.04 0.75 -0.15 1.25 0.00 0.00 0.00 179.25 181.14 2mye h LEU 72 N 0.32 0.83 -0.93 0.00 5.85 -1.12 -2.51 115.31 117.74 2mye h LEU 72 Ca -0.11 -0.39 0.01 0.00 0.84 0.00 0.00 57.88 58.24 2mye h LEU 72 Cb 1.64 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 42.40 2mye h LEU 72 CO 0.19 1.03 0.61 1.23 -0.34 0.00 0.00 178.44 181.16 2mye h GLY 73 N 0.63 1.31 1.66 3.75 0.00 -0.96 -0.27 103.07 109.19 2mye h GLY 73 Ca 0.10 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 2mye h GLY 73 CO 0.05 0.48 0.13 0.00 0.00 0.00 0.00 176.54 177.21 2mye h ALA 74 N 1.34 1.63 -0.08 3.60 0.00 -1.16 -2.11 119.26 122.48 2mye h ALA 74 Ca 0.34 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 2mye h ALA 74 Cb -0.14 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2mye h ALA 74 CO -0.07 0.30 -0.26 0.82 0.00 0.00 0.00 179.25 180.04 2mye h ILE 75 N 0.45 1.42 -0.83 0.00 2.04 -0.80 -3.20 117.51 116.60 2mye h ILE 75 Ca 0.11 -1.63 0.08 0.00 1.00 0.00 0.00 64.86 64.42 2mye h ILE 75 Cb 0.09 2.27 -0.06 0.00 -0.74 0.00 0.00 36.82 38.39 2mye h ILE 75 CO -0.01 0.47 0.54 -0.07 0.00 0.00 0.00 178.15 179.07 2mye h LEU 76 N -0.18 0.77 0.00 1.44 3.38 -0.91 -0.34 115.31 119.46 2mye h LEU 76 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2mye h LEU 76 Cb 0.89 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2mye h LEU 76 CO 0.05 0.48 0.00 0.29 0.09 0.00 0.00 178.44 179.35 2mye n LYS 77 N -4.50 0.07 0.02 1.13 5.02 -0.81 -1.12 118.16 117.97 2mye n LYS 77 Ca 0.13 0.10 0.13 0.00 -2.02 0.00 0.00 58.31 56.65 2mye n LYS 77 Cb 0.25 -1.50 0.40 0.00 -0.02 0.00 0.00 35.03 34.17 2mye n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2mye n LYS 78 N -1.46 0.06 -3.65 1.97 4.76 -0.14 -4.97 118.16 114.73 2mye n LYS 78 Ca 0.07 0.03 -0.27 0.00 -2.87 0.00 0.00 58.31 55.27 2mye n LYS 78 Cb 0.25 -1.56 0.04 0.00 -1.84 0.00 0.00 35.03 31.93 2mye n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2mye n LYS 79 N -1.66 -2.23 -0.95 1.97 5.02 -0.27 -0.78 118.16 119.26 2mye n LYS 79 Ca 0.06 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 2mye n LYS 79 Cb 0.36 -4.59 0.00 0.00 -0.02 0.00 0.00 35.03 30.78 2mye n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2mye n GLY 80 N -1.63 0.30 2.76 0.72 0.00 -1.26 -4.86 105.19 101.21 2mye n GLY 80 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 2mye n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2mye n HIS 81 N -2.40 3.04 -1.25 1.61 8.25 0.04 -4.89 115.22 119.61 2mye n HIS 81 Ca 0.00 -3.21 0.04 0.00 -0.26 0.00 0.00 57.72 54.29 2mye n HIS 81 Cb 0.20 -0.93 0.21 0.00 1.12 0.00 0.00 29.99 30.59 2mye n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2mye n HIS 82 N 0.59 0.67 -0.08 4.41 1.44 -1.26 -4.75 115.22 116.23 2mye n HIS 82 Ca 0.33 -1.24 -0.08 0.00 -2.01 0.00 0.00 57.72 54.71 2mye n HIS 82 Cb 0.34 -0.34 -0.01 0.00 0.12 0.00 0.00 29.99 30.11 2mye n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 2mye h GLU 83 N 1.03 0.28 -0.70 -1.40 3.07 -1.97 0.35 114.58 115.24 2mye h GLU 83 Ca 0.08 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.89 2mye h GLU 83 Cb 1.37 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 29.18 2mye h GLU 83 CO 0.21 0.19 0.30 0.00 -1.40 0.00 0.00 179.01 178.30 2mye h ALA 84 N 1.16 1.21 -0.05 3.43 0.00 -2.02 -2.14 119.26 120.85 2mye h ALA 84 Ca 0.12 -0.16 -0.22 0.00 0.00 0.00 0.00 54.91 54.65 2mye h ALA 84 Cb 0.05 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2mye h ALA 84 CO -0.09 0.59 -0.85 0.93 0.00 0.00 0.00 179.25 179.82 2mye h GLU 85 N 1.01 0.51 0.06 0.00 3.07 -1.80 -3.36 114.58 114.07 2mye h GLU 85 Ca 0.24 -0.47 -0.24 0.00 -0.50 0.00 0.00 59.36 58.38 2mye h GLU 85 Cb 0.16 0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 2mye h GLU 85 CO -0.02 1.11 -1.11 1.25 -1.40 0.00 0.00 179.01 178.83 2mye h LEU 86 N 0.32 0.23 -0.56 1.33 6.46 -0.71 -3.34 115.31 119.03 2mye h LEU 86 Ca -0.06 -0.24 -0.08 0.00 -0.12 0.00 0.00 57.88 57.38 2mye h LEU 86 Cb 1.47 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 41.30 2mye h LEU 86 CO 0.15 1.18 0.06 0.50 -0.62 0.00 0.00 178.44 179.71 2mye h LYS 87 N 0.04 0.96 -0.14 1.25 3.64 -1.53 0.28 116.57 121.07 2mye h LYS 87 Ca -0.07 -0.28 -0.10 0.00 -1.27 0.00 0.00 60.65 58.93 2mye h LYS 87 Cb 1.85 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.56 2mye h LYS 87 CO 0.17 0.93 -0.35 -1.35 -2.27 0.00 0.00 179.45 176.58 2mye h PRO 88 N 0.85 0.28 -0.15 1.90 0.11 -1.75 -1.63 132.00 131.60 2mye h PRO 88 Ca 0.17 -0.12 -0.02 0.00 0.11 0.00 0.00 66.00 66.14 2mye h PRO 88 Cb 0.46 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 2mye h PRO 88 CO 0.02 0.60 0.00 1.25 -0.21 0.00 0.00 178.00 179.65 2mye h LEU 89 N 0.24 0.26 -0.74 2.35 6.46 -1.37 -2.31 115.31 120.21 2mye h LEU 89 Ca 0.03 -0.31 -0.08 0.00 -0.12 0.00 0.00 57.88 57.41 2mye h LEU 89 Cb 0.73 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.56 2mye h LEU 89 CO 0.06 0.51 0.10 0.00 -0.62 0.00 0.00 178.44 178.48 2mye h ALA 90 N 0.77 0.95 -0.54 1.25 0.00 -0.77 -1.25 119.26 119.67 2mye h ALA 90 Ca 0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2mye h ALA 90 Cb 0.37 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2mye h ALA 90 CO 0.01 0.65 0.28 1.96 0.00 0.00 0.00 179.25 182.15 2mye h GLN 91 N 1.00 0.77 -0.14 0.00 4.20 -1.31 -0.14 115.11 119.48 2mye h GLN 91 Ca 0.20 -0.10 -0.19 0.00 0.06 0.00 0.00 58.65 58.62 2mye h GLN 91 Cb 0.43 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 2mye h GLN 91 CO 0.01 0.61 -0.69 0.66 -0.67 0.00 0.00 178.83 178.76 2mye h SER 92 N 0.73 0.68 1.26 1.46 4.64 -1.24 -1.19 113.55 119.89 2mye h SER 92 Ca 0.19 -0.42 -0.08 0.00 -0.47 0.00 0.00 61.79 61.01 2mye h SER 92 Cb 0.08 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 2mye h SER 92 CO -0.03 1.18 -0.36 0.45 -0.87 0.00 0.00 176.83 177.20 2mye h HIS 93 N 0.42 0.00 0.21 4.77 3.86 -1.08 0.79 115.15 124.11 2mye h HIS 93 Ca -0.02 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 2mye h HIS 93 Cb 1.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.74 2mye h HIS 93 CO 0.06 0.36 -0.10 0.00 0.86 0.00 0.00 177.93 179.11 2mye h ALA 94 N 1.64 -0.28 0.00 2.45 0.00 -0.94 -0.63 119.26 121.50 2mye h ALA 94 Ca -0.00 -0.17 -0.25 0.00 0.00 0.00 0.00 54.91 54.49 2mye h ALA 94 Cb 1.09 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 2mye h ALA 94 CO 0.05 -0.31 -1.90 0.25 0.00 0.00 0.00 179.25 177.34 2mye n THR 95 N -4.96 1.23 -0.10 0.00 -2.24 -0.46 -3.59 114.28 104.17 2mye n THR 95 Ca -0.06 -0.76 -0.14 0.00 -2.27 0.00 0.00 64.05 60.82 2mye n THR 95 Cb 0.21 -0.63 -0.05 0.00 -2.10 0.00 0.00 70.33 67.76 2mye n THR 95 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2mye n LYS 96 N -2.81 0.53 0.23 -0.78 4.81 -0.35 -4.66 118.16 115.13 2mye n LYS 96 Ca -0.19 0.34 0.13 0.00 -0.87 0.00 0.00 58.31 57.71 2mye n LYS 96 Cb 0.98 -1.54 0.28 0.00 0.02 0.00 0.00 35.03 34.76 2mye n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2mye h HIS 97 N -1.00 0.00 -5.65 5.64 3.86 -1.04 -3.48 115.15 113.48 2mye h HIS 97 Ca -0.20 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 58.70 2mye h HIS 97 Cb 1.07 0.00 0.17 0.00 1.06 0.00 0.00 27.41 29.70 2mye h HIS 97 CO -0.24 0.03 -0.85 1.63 0.86 0.00 0.00 177.93 179.35 2mye n LYS 98 N -3.11 -3.10 -3.67 2.45 4.76 -0.63 -4.99 118.16 109.87 2mye n LYS 98 Ca 0.03 0.79 -0.38 0.00 -2.87 0.00 0.00 58.31 55.88 2mye n LYS 98 Cb 0.49 -5.55 -0.12 0.00 -1.84 0.00 0.00 35.03 28.01 2mye n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2mye s ILE 99 N -3.42 4.61 0.63 -0.18 -1.09 -0.34 -5.03 121.20 116.38 2mye s ILE 99 Ca 0.34 -0.31 -0.16 0.00 -2.23 0.00 0.00 60.65 58.29 2mye s ILE 99 Cb -0.06 -3.29 -0.01 0.00 -1.58 0.00 0.00 42.46 37.51 2mye s ILE 99 CO 0.76 0.14 1.12 -2.16 -1.23 0.00 0.00 174.94 173.57 2mye s PRO 100 N 1.63 2.92 0.48 2.79 0.04 -1.26 -4.74 135.00 136.84 2mye s PRO 100 Ca 0.05 1.45 0.18 0.00 0.04 0.00 0.00 61.00 62.72 2mye s PRO 100 Cb -0.17 -1.96 1.18 0.00 0.04 0.00 0.00 34.50 33.59 2mye s PRO 100 CO 0.06 -1.17 2.00 0.82 0.04 0.00 0.00 177.00 178.75 2mye h ILE 101 N 0.29 0.85 -0.78 0.56 1.08 -1.91 -0.78 117.51 116.82 2mye h ILE 101 Ca -0.47 -0.08 0.09 0.00 -0.39 0.00 0.00 64.86 64.01 2mye h ILE 101 Cb 1.25 0.60 -0.05 0.00 -3.07 0.00 0.00 36.82 35.55 2mye h ILE 101 CO 0.55 0.04 0.51 0.50 -0.69 0.00 0.00 178.15 179.06 2mye h LYS 102 N 0.23 0.72 0.00 2.37 1.63 -1.94 -0.31 116.57 119.26 2mye h LYS 102 Ca 0.24 -0.04 -0.10 0.00 -0.85 0.00 0.00 60.65 59.90 2mye h LYS 102 Cb 0.65 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 32.10 2mye h LYS 102 CO -0.05 0.48 -0.48 1.88 -3.45 0.00 0.00 179.45 177.83 2mye h TYR 103 N 0.74 0.00 0.00 1.91 -1.99 -1.49 -1.63 116.97 114.52 2mye h TYR 103 Ca 0.35 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 61.00 2mye h TYR 103 Cb 0.39 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.11 2mye h TYR 103 CO -0.00 0.48 -0.37 -0.07 -0.00 0.00 0.00 178.16 178.20 2mye h LEU 104 N 0.00 0.00 -0.40 3.88 3.38 -1.09 -1.57 115.31 119.50 2mye h LEU 104 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2mye h LEU 104 Cb 0.94 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2mye h LEU 104 CO 0.06 0.37 -0.06 -0.08 0.09 0.00 0.00 178.44 178.83 2mye h GLU 105 N 0.00 0.75 -0.24 1.13 4.81 -0.85 -1.84 114.58 118.34 2mye h GLU 105 Ca -0.00 -0.27 -0.00 0.00 -0.13 0.00 0.00 59.36 58.95 2mye h GLU 105 Cb 0.86 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 2mye h GLU 105 CO 0.05 0.87 0.14 0.74 -0.73 0.00 0.00 179.01 180.08 2mye h PHE 106 N 0.57 0.32 0.00 0.92 0.04 -0.93 -2.02 116.94 115.84 2mye h PHE 106 Ca 0.11 -0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.78 2mye h PHE 106 Cb 0.57 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 2mye h PHE 106 CO 0.05 0.25 -0.44 0.97 -0.60 0.00 0.00 178.31 178.53 2mye h ILE 107 N 0.30 1.22 -0.48 -0.55 2.10 -1.30 -2.13 117.51 116.65 2mye h ILE 107 Ca 0.09 -1.57 0.03 0.00 1.08 0.00 0.00 64.86 64.49 2mye h ILE 107 Cb 0.03 1.87 -0.04 0.00 -1.09 0.00 0.00 36.82 37.59 2mye h ILE 107 CO -0.02 0.43 0.26 0.28 -1.08 0.00 0.00 178.15 178.03 2mye h SER 108 N 0.00 0.40 0.12 2.19 0.02 -0.95 0.17 113.55 115.50 2mye h SER 108 Ca -0.00 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.91 2mye h SER 108 Cb 0.83 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 2mye h SER 108 CO 0.06 0.28 -0.20 -0.33 -1.14 0.00 0.00 176.83 175.50 2mye h GLU 109 N 0.52 0.16 -0.22 3.45 4.39 -0.80 -2.13 114.58 119.95 2mye h GLU 109 Ca 0.20 -0.04 -0.19 0.00 0.34 0.00 0.00 59.36 59.67 2mye h GLU 109 Cb 0.08 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2mye h GLU 109 CO -0.12 0.36 -0.61 0.00 -1.16 0.00 0.00 179.01 177.48 2mye h ALA 110 N 1.65 0.50 -0.36 3.43 0.00 -0.80 -1.37 119.26 122.31 2mye h ALA 110 Ca 0.03 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 2mye h ALA 110 Cb 0.44 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2mye h ALA 110 CO 0.03 0.69 0.17 0.82 0.00 0.00 0.00 179.25 180.96 2mye h ILE 111 N 0.56 1.17 -0.25 0.00 2.04 -0.75 -0.90 117.51 119.38 2mye h ILE 111 Ca -0.00 -0.49 -0.09 0.00 1.00 0.00 0.00 64.86 65.27 2mye h ILE 111 Cb 1.21 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 2mye h ILE 111 CO 0.13 0.18 -0.22 0.40 0.00 0.00 0.00 178.15 178.63 2mye h ILE 112 N 0.44 1.26 -0.34 -0.67 2.04 -1.25 -1.22 117.51 117.76 2mye h ILE 112 Ca 0.12 -1.20 -0.04 0.00 1.00 0.00 0.00 64.86 64.75 2mye h ILE 112 Cb 0.13 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 2mye h ILE 112 CO -0.01 0.38 0.07 -0.74 0.00 0.00 0.00 178.15 177.85 2mye h HIS 113 N 0.41 0.58 -0.44 1.37 2.76 -0.92 -2.53 115.15 116.39 2mye h HIS 113 Ca 0.07 -0.07 -0.10 0.00 -2.20 0.00 0.00 60.37 58.06 2mye h HIS 113 Cb 0.62 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.40 2mye h HIS 113 CO 0.02 0.60 -0.14 0.28 -1.30 0.00 0.00 177.93 177.39 2mye h VAL 114 N 0.39 1.26 -0.56 5.26 2.07 -0.92 -1.67 116.25 122.07 2mye h VAL 114 Ca 0.10 -1.23 -0.05 0.00 0.82 0.00 0.00 66.70 66.34 2mye h VAL 114 Cb 0.32 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 2mye h VAL 114 CO 0.00 0.42 0.13 -0.07 0.02 0.00 0.00 177.57 178.08 2mye h LEU 115 N 0.72 0.81 -0.43 2.57 3.38 -1.10 -1.16 115.31 120.10 2mye h LEU 115 Ca 0.12 -0.15 -0.18 0.00 0.09 0.00 0.00 57.88 57.76 2mye h LEU 115 Cb 0.64 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 2mye h LEU 115 CO 0.04 0.79 -0.66 -0.74 0.09 0.00 0.00 178.44 177.97 2mye h HIS 116 N 0.83 0.65 -0.17 1.13 2.76 -1.14 -0.05 115.15 119.16 2mye h HIS 116 Ca 0.18 -0.26 -0.02 0.00 -2.20 0.00 0.00 60.37 58.07 2mye h HIS 116 Cb 0.31 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.15 2mye h HIS 116 CO 0.02 1.01 0.05 0.77 -1.30 0.00 0.00 177.93 178.48 2mye h SER 117 N 0.36 0.26 1.06 3.26 0.02 -0.65 -3.23 113.55 114.64 2mye h SER 117 Ca -0.02 -0.22 -0.17 0.00 -0.84 0.00 0.00 61.79 60.55 2mye h SER 117 Cb 1.22 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.67 2mye h SER 117 CO 0.12 0.41 -0.99 0.03 -1.14 0.00 0.00 176.83 175.26 2mye h ARG 118 N 0.10 0.00 -1.42 3.45 3.08 -1.24 -3.41 114.38 114.93 2mye h ARG 118 Ca 0.06 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.66 2mye h ARG 118 Cb 0.25 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 29.89 2mye h ARG 118 CO -0.00 0.58 -1.07 0.72 -1.07 0.00 0.00 179.97 179.13 2mye n HIS 119 N -3.16 1.59 -0.34 3.04 8.25 -0.04 -4.96 115.22 119.61 2mye n HIS 119 Ca -0.03 -3.17 0.22 0.00 -0.26 0.00 0.00 57.72 54.47 2mye n HIS 119 Cb 0.85 -0.34 0.45 0.00 1.12 0.00 0.00 29.99 32.07 2mye n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2mye h PRO 120 N 2.92 0.40 0.00 -0.41 0.13 -1.73 0.17 132.00 133.48 2mye h PRO 120 Ca 0.04 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.13 2mye h PRO 120 Cb 1.03 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 2mye h PRO 120 CO 0.59 0.26 -0.12 0.78 -0.23 0.00 0.00 178.00 179.28 2mye h GLY 121 N 0.41 0.00 -1.74 1.56 0.00 -1.93 -2.10 103.07 99.28 2mye h GLY 121 Ca 0.70 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.03 2mye h GLY 121 CO -0.54 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.22 2mye n ASP 122 N -3.08 2.97 -2.74 0.19 8.00 0.43 -4.68 116.55 117.65 2mye n ASP 122 Ca 0.03 -1.87 -0.15 0.00 0.71 0.00 0.00 54.79 53.52 2mye n ASP 122 Cb 0.55 -0.18 0.01 0.00 -0.02 0.00 0.00 41.12 41.48 2mye n ASP 122 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2mye n PHE 123 N 1.07 1.55 -0.75 1.24 7.35 -0.25 -4.66 117.46 123.00 2mye n PHE 123 Ca 0.14 -3.11 0.00 0.00 -0.76 0.00 0.00 57.45 53.73 2mye n PHE 123 Cb 0.49 -0.34 0.00 0.00 0.35 0.00 0.00 39.48 39.98 2mye n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2mye n GLY 124 N -0.08 -1.14 0.37 7.13 0.00 -1.22 -4.64 105.19 105.61 2mye n GLY 124 Ca 0.19 -1.65 -0.03 0.00 0.00 0.00 0.00 46.02 44.53 2mye n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2mye h ALA 125 N -2.00 1.21 -0.55 4.61 0.00 -1.98 -0.64 119.26 119.90 2mye h ALA 125 Ca 0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2mye h ALA 125 Cb 0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 2mye h ALA 125 CO 0.00 0.67 0.10 0.38 0.00 0.00 0.00 179.25 180.39 2mye h ASP 126 N 1.31 0.86 -0.44 0.00 2.03 -1.99 0.15 116.42 118.33 2mye h ASP 126 Ca 0.34 -0.25 -0.11 0.00 -0.73 0.00 0.00 57.03 56.27 2mye h ASP 126 Cb -0.06 -0.23 -0.01 0.00 -0.83 0.00 0.00 39.33 38.20 2mye h ASP 126 CO -0.06 0.90 -0.16 0.00 -1.03 0.00 0.00 179.24 178.89 2mye h ALA 127 N 1.00 0.62 -0.78 4.15 0.00 -1.78 -2.16 119.26 120.31 2mye h ALA 127 Ca 0.17 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.75 2mye h ALA 127 Cb 0.40 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 2mye h ALA 127 CO 0.01 0.55 0.49 0.37 0.00 0.00 0.00 179.25 180.67 2mye h GLN 128 N 0.73 0.93 -0.66 0.00 4.15 -0.83 -0.27 115.11 119.15 2mye h GLN 128 Ca 0.11 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.41 2mye h GLN 128 Cb 0.71 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 28.17 2mye h GLN 128 CO 0.05 0.62 0.18 0.78 -1.93 0.00 0.00 178.83 178.53 2mye h GLY 129 N 0.96 1.12 1.13 2.39 0.00 -0.50 -0.31 103.07 107.85 2mye h GLY 129 Ca 0.31 -0.67 -0.15 0.00 0.00 0.00 0.00 47.33 46.83 2mye h GLY 129 CO -0.11 0.62 -0.29 0.00 0.00 0.00 0.00 176.54 176.76 2mye h ALA 130 N 1.19 0.64 -0.49 3.60 0.00 -1.21 -1.60 119.26 121.40 2mye h ALA 130 Ca 0.21 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 2mye h ALA 130 Cb 0.33 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2mye h ALA 130 CO -0.00 0.68 -0.18 1.98 0.00 0.00 0.00 179.25 181.73 2mye h MET 131 N 0.82 0.99 -0.83 0.00 -1.53 -0.69 -0.65 114.93 113.04 2mye h MET 131 Ca 0.09 -0.41 -0.02 0.00 -3.44 0.00 0.00 59.70 55.93 2mye h MET 131 Cb 0.88 -0.04 -0.04 0.00 -0.55 0.00 0.00 31.60 31.85 2mye h MET 131 CO 0.08 1.08 0.45 -0.97 0.14 0.00 0.00 176.91 177.69 2mye h ASN 132 N 0.85 1.04 -0.58 1.39 -1.24 -0.87 -0.40 115.58 115.76 2mye h ASN 132 Ca 0.12 -0.09 -0.09 0.00 0.71 0.00 0.00 56.30 56.95 2mye h ASN 132 Cb 0.75 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 39.52 2mye h ASN 132 CO 0.06 0.84 0.02 0.11 -1.29 0.00 0.00 177.43 177.17 2mye h LYS 133 N 1.17 1.01 -0.70 6.67 1.57 -0.75 -0.50 116.57 125.04 2mye h LYS 133 Ca 0.29 -0.31 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 2mye h LYS 133 Cb 0.04 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 2mye h LYS 133 CO -0.05 0.99 0.29 0.00 -0.57 0.00 0.00 179.45 180.12 2mye h ALA 134 N 0.98 0.90 -0.03 3.86 0.00 -0.62 -1.36 119.26 122.99 2mye h ALA 134 Ca 0.17 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 2mye h ALA 134 Cb 0.52 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2mye h ALA 134 CO 0.03 0.51 -0.64 -0.07 0.00 0.00 0.00 179.25 179.08 2mye h LEU 135 N 0.99 0.13 -0.47 0.00 3.38 -0.73 -2.15 115.31 116.46 2mye h LEU 135 Ca 0.23 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 2mye h LEU 135 Cb 0.19 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2mye h LEU 135 CO -0.02 0.73 0.11 -0.33 0.09 0.00 0.00 178.44 179.02 2mye h GLU 136 N 0.08 0.76 -0.58 1.13 5.08 -0.86 -1.64 114.58 118.55 2mye h GLU 136 Ca -0.01 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.18 2mye h GLU 136 Cb 1.14 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 2mye h GLU 136 CO 0.09 0.75 0.37 1.25 -1.00 0.00 0.00 179.01 180.47 2mye h LEU 137 N 0.64 0.62 -0.43 1.33 5.85 -1.17 0.54 115.31 122.68 2mye h LEU 137 Ca 0.15 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.94 2mye h LEU 137 Cb 0.34 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.16 2mye h LEU 137 CO 0.00 0.44 -0.02 0.15 -0.34 0.00 0.00 178.44 178.67 2mye h PHE 138 N 0.74 -0.07 -0.43 1.25 3.57 -1.27 -0.21 116.94 120.52 2mye h PHE 138 Ca 0.23 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.62 2mye h PHE 138 Cb -0.02 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 2mye h PHE 138 CO -0.05 -0.11 -0.28 0.00 -2.23 0.00 0.00 178.31 175.64 2mye h ARG 139 N 0.08 0.94 -0.51 1.11 3.08 -0.90 -2.18 114.38 116.01 2mye h ARG 139 Ca 0.21 -0.44 -0.02 0.00 0.07 0.00 0.00 59.98 59.80 2mye h ARG 139 Cb 0.31 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 2mye h ARG 139 CO -0.38 1.10 0.23 -0.22 -1.07 0.00 0.00 179.97 179.64 2mye h LYS 140 N 0.77 0.74 -0.04 0.04 3.64 -0.55 0.09 116.57 121.26 2mye h LYS 140 Ca 0.09 -0.12 -0.12 0.00 -1.27 0.00 0.00 60.65 59.23 2mye h LYS 140 Cb 0.86 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 2mye h LYS 140 CO 0.08 0.63 -0.51 -0.44 -2.27 0.00 0.00 179.45 176.94 2mye h ASP 141 N 0.67 0.12 -0.20 4.20 3.32 -0.86 -2.04 116.42 121.63 2mye h ASP 141 Ca 0.17 -0.06 -0.18 0.00 0.02 0.00 0.00 57.03 56.99 2mye h ASP 141 Cb 0.15 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2mye h ASP 141 CO -0.02 0.61 -0.57 0.40 -1.72 0.00 0.00 179.24 177.94 2mye h ILE 142 N 0.09 1.30 0.00 0.35 1.08 -1.19 -2.85 117.51 116.28 2mye h ILE 142 Ca 0.00 -1.78 -0.06 0.00 -0.39 0.00 0.00 64.86 62.62 2mye h ILE 142 Cb 0.93 1.86 -0.01 0.00 -3.07 0.00 0.00 36.82 36.53 2mye h ILE 142 CO 0.07 0.57 -0.30 0.00 -0.69 0.00 0.00 178.15 177.80 2mye h ALA 143 N 0.59 1.50 -0.36 1.87 0.00 -0.68 0.03 119.26 122.22 2mye h ALA 143 Ca -0.01 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 2mye h ALA 143 Cb 1.19 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2mye h ALA 143 CO 0.12 0.37 -0.28 0.00 0.00 0.00 0.00 179.25 179.46 2mye h ALA 144 N 1.70 0.83 -0.36 0.00 0.00 -1.15 -0.94 119.26 119.34 2mye h ALA 144 Ca -0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 2mye h ALA 144 Cb 0.53 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2mye h ALA 144 CO 0.04 0.64 -0.09 0.87 0.00 0.00 0.00 179.25 180.71 2mye h LYS 145 N 0.64 0.70 -0.30 0.00 6.56 -1.17 -2.48 116.57 120.51 2mye h LYS 145 Ca 0.08 -0.27 0.04 0.00 -1.06 0.00 0.00 60.65 59.44 2mye h LYS 145 Cb 0.80 -0.04 -0.04 0.00 -0.57 0.00 0.00 32.23 32.39 2mye h LYS 145 CO 0.07 0.85 0.08 1.88 -2.06 0.00 0.00 179.45 180.27 2mye h TYR 146 N 0.49 0.13 -0.11 -1.35 -1.99 -0.63 -2.75 116.97 110.77 2mye h TYR 146 Ca 0.09 0.02 0.01 0.00 2.00 0.00 0.00 58.73 60.85 2mye h TYR 146 Cb 0.60 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.30 2mye h TYR 146 CO 0.05 0.04 0.01 -0.22 -0.00 0.00 0.00 178.16 178.05 2mye h LYS 147 N 0.19 0.06 -0.66 4.88 3.64 -0.99 0.13 116.57 123.83 2mye h LYS 147 Ca 0.14 -0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.66 2mye h LYS 147 Cb 0.14 -0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 31.82 2mye h LYS 147 CO -0.17 0.04 -0.08 1.49 -2.27 0.00 0.00 179.45 178.46 2mye h GLU 148 N 0.06 0.05 0.00 1.90 4.81 -1.37 -1.85 114.58 118.18 2mye h GLU 148 Ca 0.05 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2mye h GLU 148 Cb 0.05 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.42 2mye h GLU 148 CO -0.07 0.03 0.00 1.28 -0.73 0.00 0.00 179.01 179.52 2mye n LEU 149 N -5.38 0.38 0.00 1.64 4.77 -1.05 -4.93 117.00 112.44 2mye n LEU 149 Ca 0.09 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 2mye n LEU 149 Cb 0.37 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 2mye n LEU 149 CO 0.06 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.59 2mye n GLY 150 N 1.16 1.01 0.00 -0.72 0.00 -0.49 -4.97 105.19 101.18 2mye n GLY 150 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.11 2mye n GLY 150 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2mye n TYR 151 N -1.99 0.00 0.00 1.61 4.02 0.34 -5.01 117.16 116.14 2mye n TYR 151 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2mye n TYR 151 Cb 0.00 -0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.25 2mye n TYR 151 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 2mye n GLN 152 N -1.42 0.00 -0.92 -0.72 -0.06 -1.05 -4.89 117.38 108.32 2mye n GLN 152 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2mye n GLN 152 Cb 0.15 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.33 2mye n GLN 152 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27