#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dxm s LEU 2 N 0.00 4.14 0.66 1.34 1.02 -1.26 -5.07 118.68 119.51 2dxm s LEU 2 Ca 0.00 1.02 -0.07 0.00 0.02 0.00 0.00 54.13 55.10 2dxm s LEU 2 Cb 0.00 -3.10 0.03 0.00 0.02 0.00 0.00 46.19 43.14 2dxm s LEU 2 CO 0.00 -0.38 0.98 -0.94 0.02 0.00 0.00 176.35 176.02 2dxm s SER 3 N 1.22 5.20 0.32 2.29 1.04 -1.26 -4.93 113.70 117.58 2dxm s SER 3 Ca 0.34 0.63 0.00 0.00 0.48 0.00 0.00 55.95 57.41 2dxm s SER 3 Cb -0.16 -1.44 0.52 0.00 0.10 0.00 0.00 66.02 65.04 2dxm s SER 3 CO 0.11 -1.35 1.94 -0.65 0.98 0.00 0.00 173.24 174.26 2dxm h PRO 4 N -0.43 0.87 -0.47 4.02 0.11 -2.00 -2.35 132.00 131.75 2dxm h PRO 4 Ca -0.45 -0.09 -0.12 0.00 0.11 0.00 0.00 66.00 65.45 2dxm h PRO 4 Cb 1.29 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 2dxm h PRO 4 CO 0.61 0.65 -0.18 0.00 -0.21 0.00 0.00 178.00 178.86 2dxm h ALA 5 N 1.50 0.79 -0.32 -0.75 0.00 -2.00 -2.43 119.26 116.05 2dxm h ALA 5 Ca 0.23 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.77 2dxm h ALA 5 Cb 0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2dxm h ALA 5 CO -0.04 0.66 0.20 -0.44 0.00 0.00 0.00 179.25 179.63 2dxm h ASP 6 N 0.81 0.34 -0.67 0.00 3.32 -1.83 -2.21 116.42 116.18 2dxm h ASP 6 Ca 0.11 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.17 2dxm h ASP 6 Cb 0.73 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.17 2dxm h ASP 6 CO 0.06 0.24 0.43 0.11 -1.72 0.00 0.00 179.24 178.37 2dxm h LYS 7 N 0.41 0.85 -0.68 3.56 1.57 -1.28 -1.56 116.57 119.44 2dxm h LYS 7 Ca 0.12 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.87 2dxm h LYS 7 Cb -0.03 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.05 2dxm h LYS 7 CO -0.04 0.56 0.44 1.15 -0.57 0.00 0.00 179.45 180.99 2dxm h THR 8 N 0.88 1.13 -0.21 -0.16 2.02 -1.17 -1.77 112.91 113.63 2dxm h THR 8 Ca 0.25 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 2dxm h THR 8 Cb -0.07 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.51 2dxm h THR 8 CO -0.07 0.16 0.07 0.78 0.37 0.00 0.00 175.52 176.84 2dxm h ASN 9 N 0.87 0.31 -0.73 4.18 2.35 -0.87 -1.49 115.58 120.20 2dxm h ASN 9 Ca 0.26 -0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 55.78 2dxm h ASN 9 Cb -0.03 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 2dxm h ASN 9 CO -0.08 0.41 0.30 0.58 -1.65 0.00 0.00 177.43 176.99 2dxm h VAL 10 N 0.18 1.25 -0.10 2.81 2.07 -1.16 -1.29 116.25 120.01 2dxm h VAL 10 Ca 0.07 -0.77 -0.12 0.00 0.82 0.00 0.00 66.70 66.70 2dxm h VAL 10 Cb 0.21 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 2dxm h VAL 10 CO -0.00 0.31 -0.49 0.11 0.02 0.00 0.00 177.57 177.52 2dxm h LYS 11 N 1.07 0.26 -0.10 1.57 1.57 -1.21 -0.51 116.57 119.22 2dxm h LYS 11 Ca 0.25 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.83 2dxm h LYS 11 Cb 0.19 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 2dxm h LYS 11 CO -0.02 0.70 -0.13 0.00 -0.57 0.00 0.00 179.45 179.42 2dxm h ALA 12 N 1.28 0.15 -0.27 3.86 0.00 -0.94 -0.96 119.26 122.39 2dxm h ALA 12 Ca 0.01 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 2dxm h ALA 12 Cb 0.94 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2dxm h ALA 12 CO 0.08 0.03 -0.11 0.00 0.00 0.00 0.00 179.25 179.24 2dxm h ALA 13 N 0.55 0.37 0.00 0.00 0.00 -1.22 -2.84 119.26 116.13 2dxm h ALA 13 Ca 0.01 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 2dxm h ALA 13 Cb 0.68 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2dxm h ALA 13 CO 0.03 0.23 -0.21 2.35 0.00 0.00 0.00 179.25 181.65 2dxm h TRP 14 N 0.29 0.00 -0.02 0.00 2.91 -1.14 -1.80 115.95 116.18 2dxm h TRP 14 Ca 0.06 0.00 -0.10 0.00 1.13 0.00 0.00 58.89 59.99 2dxm h TRP 14 Cb 0.61 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.25 2dxm h TRP 14 CO 0.06 0.21 -0.44 0.78 -1.03 0.00 0.00 178.44 178.02 2dxm h GLY 15 N 1.52 0.06 2.00 2.65 0.00 -0.94 -2.35 103.07 106.00 2dxm h GLY 15 Ca -0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 47.33 47.21 2dxm h GLY 15 CO 0.03 0.05 -0.27 1.70 0.00 0.00 0.00 176.54 178.05 2dxm h LYS 16 N 0.05 0.00 0.50 4.80 1.63 -1.12 -3.28 116.57 119.14 2dxm h LYS 16 Ca 0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 2dxm h LYS 16 Cb 0.80 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.43 2dxm h LYS 16 CO 0.06 0.27 -0.24 0.28 -3.45 0.00 0.00 179.45 176.37 2dxm h VAL 17 N 0.00 0.00 0.00 2.00 2.07 -1.12 -3.47 116.25 115.74 2dxm h VAL 17 Ca -0.00 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.20 2dxm h VAL 17 Cb 1.02 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 2dxm h VAL 17 CO 0.04 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.24 2dxm n GLY 18 N -0.21 4.11 0.21 2.17 0.00 -1.10 -2.74 105.19 107.63 2dxm n GLY 18 Ca -0.08 0.19 0.02 0.00 0.00 0.00 0.00 46.02 46.14 2dxm n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dxm h ALA 19 N -0.97 1.39 0.00 4.61 0.00 -1.92 -3.02 119.26 119.35 2dxm h ALA 19 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2dxm h ALA 19 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2dxm h ALA 19 CO 0.00 0.43 0.00 0.72 0.00 0.00 0.00 179.25 180.40 2dxm n HIS 20 N -4.17 0.00 -0.11 0.00 -0.00 -1.11 -4.11 115.22 105.72 2dxm n HIS 20 Ca -0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.66 2dxm n HIS 20 Cb 0.36 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.37 2dxm n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2dxm h ALA 21 N 3.05 0.32 -0.68 -1.41 0.00 -1.72 -1.79 119.26 117.02 2dxm h ALA 21 Ca 0.00 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2dxm h ALA 21 Cb 0.00 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2dxm h ALA 21 CO 0.00 -0.42 0.24 0.78 0.00 0.00 0.00 179.25 179.85 2dxm h GLY 22 N 0.06 1.10 0.97 0.00 0.00 -1.85 -1.75 103.07 101.60 2dxm h GLY 22 Ca 0.19 -0.61 -0.11 0.00 0.00 0.00 0.00 47.33 46.80 2dxm h GLY 22 CO -0.34 0.57 -0.21 -2.09 0.00 0.00 0.00 176.54 174.46 2dxm h GLU 23 N 0.99 0.72 -0.61 4.80 4.57 -1.77 -2.71 114.58 120.58 2dxm h GLU 23 Ca 0.22 -0.34 -0.07 0.00 -1.18 0.00 0.00 59.36 58.00 2dxm h GLU 23 Cb 0.24 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.80 2dxm h GLU 23 CO -0.01 0.95 0.11 1.88 -1.18 0.00 0.00 179.01 180.76 2dxm h TYR 24 N 0.49 1.03 -0.33 0.92 0.99 -1.21 -2.27 116.97 116.60 2dxm h TYR 24 Ca 0.07 -0.13 -0.04 0.00 2.00 0.00 0.00 58.73 60.63 2dxm h TYR 24 Cb 0.76 -0.29 -0.02 0.00 1.00 0.00 0.00 36.73 38.19 2dxm h TYR 24 CO 0.06 0.87 0.04 0.78 -0.00 0.00 0.00 178.16 179.92 2dxm h GLY 25 N 1.03 0.52 1.26 3.88 0.00 -1.25 -0.38 103.07 108.13 2dxm h GLY 25 Ca 0.19 -0.28 -0.18 0.00 0.00 0.00 0.00 47.33 47.06 2dxm h GLY 25 CO 0.01 0.27 -0.55 0.00 0.00 0.00 0.00 176.54 176.26 2dxm h ALA 26 N 1.58 0.53 -0.12 3.60 0.00 -1.13 -2.88 119.26 120.84 2dxm h ALA 26 Ca 0.11 -0.52 -0.14 0.00 0.00 0.00 0.00 54.91 54.37 2dxm h ALA 26 Cb 0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2dxm h ALA 26 CO 0.00 0.68 -0.51 1.49 0.00 0.00 0.00 179.25 180.91 2dxm h GLU 27 N 0.60 0.33 -0.18 0.00 4.81 -0.99 -2.45 114.58 116.70 2dxm h GLU 27 Ca 0.01 -0.20 -0.06 0.00 -0.13 0.00 0.00 59.36 58.98 2dxm h GLU 27 Cb 1.14 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 2dxm h GLU 27 CO 0.12 0.77 -0.17 0.00 -0.73 0.00 0.00 179.01 178.99 2dxm h ALA 28 N 1.20 1.38 -0.02 2.92 0.00 -1.02 -1.54 119.26 122.17 2dxm h ALA 28 Ca 0.01 -0.26 -0.20 0.00 0.00 0.00 0.00 54.91 54.47 2dxm h ALA 28 Cb 1.00 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.70 2dxm h ALA 28 CO 0.08 0.43 -0.76 -0.07 0.00 0.00 0.00 179.25 178.93 2dxm h LEU 29 N 0.28 0.71 -0.67 0.00 3.38 -1.28 -2.76 115.31 114.96 2dxm h LEU 29 Ca 0.05 -0.73 -0.00 0.00 0.09 0.00 0.00 57.88 57.29 2dxm h LEU 29 Cb 0.48 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2dxm h LEU 29 CO 0.03 1.34 0.42 -0.08 0.09 0.00 0.00 178.44 180.24 2dxm h GLU 30 N 0.15 0.90 -0.45 1.13 4.81 -1.23 -1.44 114.58 118.45 2dxm h GLU 30 Ca -0.09 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.04 2dxm h GLU 30 Cb 1.43 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.60 2dxm h GLU 30 CO 0.15 0.63 0.16 0.00 -0.73 0.00 0.00 179.01 179.22 2dxm h ARG 31 N 0.91 0.64 -0.12 1.92 3.08 -1.33 -2.75 114.38 116.73 2dxm h ARG 31 Ca 0.24 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 60.15 2dxm h ARG 31 Cb -0.05 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 29.88 2dxm h ARG 31 CO -0.05 0.55 -0.12 1.98 -1.07 0.00 0.00 179.97 181.26 2dxm h MET 32 N 0.64 0.30 -0.70 0.04 4.05 -1.07 -2.28 114.93 115.91 2dxm h MET 32 Ca 0.15 -0.16 0.01 0.00 -0.28 0.00 0.00 59.70 59.43 2dxm h MET 32 Cb 0.16 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.93 2dxm h MET 32 CO -0.01 0.69 0.46 0.74 0.23 0.00 0.00 176.91 179.02 2dxm h PHE 33 N -0.09 0.86 0.07 1.39 0.04 -1.15 -0.20 116.94 117.86 2dxm h PHE 33 Ca 0.02 0.02 -0.14 0.00 2.80 0.00 0.00 57.97 60.67 2dxm h PHE 33 Cb 0.64 -0.29 0.02 0.00 2.20 0.00 0.00 35.95 38.51 2dxm h PHE 33 CO 0.08 0.53 -0.61 -0.07 -0.60 0.00 0.00 178.31 177.65 2dxm h LEU 34 N 0.92 0.41 -0.06 1.54 3.38 -1.50 -3.23 115.31 116.77 2dxm h LEU 34 Ca 0.26 -0.88 -0.06 0.00 0.09 0.00 0.00 57.88 57.29 2dxm h LEU 34 Cb -0.07 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.55 2dxm h LEU 34 CO -0.06 1.26 -0.20 0.28 0.09 0.00 0.00 178.44 179.81 2dxm h SER 35 N -0.38 0.27 -4.23 -0.43 0.02 -1.36 -3.40 113.55 104.04 2dxm h SER 35 Ca -0.10 -0.62 -0.66 0.00 -0.84 0.00 0.00 61.79 59.57 2dxm h SER 35 Cb 1.41 -0.08 -0.39 0.00 0.14 0.00 0.00 62.40 63.48 2dxm h SER 35 CO 0.12 0.85 -0.57 -0.36 -1.14 0.00 0.00 176.83 175.73 2dxm s PHE 36 N -3.73 3.30 -0.55 3.45 0.40 -0.09 -4.97 117.98 115.78 2dxm s PHE 36 Ca -0.15 -3.03 0.21 0.00 -0.60 0.00 0.00 56.93 53.36 2dxm s PHE 36 Cb 0.03 -2.94 0.91 0.00 0.51 0.00 0.00 43.02 41.53 2dxm s PHE 36 CO 0.74 -0.79 1.64 -2.30 0.70 0.00 0.00 175.22 175.21 2dxm n PRO 37 N 3.34 0.15 0.17 0.24 -0.02 -1.22 -2.79 135.00 134.86 2dxm n PRO 37 Ca 0.05 0.42 0.13 0.00 -2.02 0.00 0.00 63.50 62.09 2dxm n PRO 37 Cb 0.35 -1.81 0.53 0.00 -0.02 0.00 0.00 33.50 32.55 2dxm n PRO 37 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2dxm h THR 38 N 0.00 0.00 0.00 3.45 1.35 -1.92 -2.69 112.91 113.10 2dxm h THR 38 Ca 0.00 -0.35 -0.03 0.00 -0.55 0.00 0.00 66.41 65.48 2dxm h THR 38 Cb 0.29 1.18 -0.00 0.00 -1.73 0.00 0.00 68.15 67.88 2dxm h THR 38 CO 0.00 0.00 -0.16 0.71 -0.25 0.00 0.00 175.52 175.82 2dxm h THR 39 N 0.00 0.37 0.00 6.82 1.35 -1.86 -2.99 112.91 116.60 2dxm h THR 39 Ca 0.00 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 2dxm h THR 39 Cb 0.45 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 2dxm h THR 39 CO 0.00 0.15 0.00 0.29 -0.25 0.00 0.00 175.52 175.71 2dxm n LYS 40 N -3.27 0.14 0.00 4.72 5.02 -1.01 -2.01 118.16 121.74 2dxm n LYS 40 Ca 0.01 0.54 0.07 0.00 -2.02 0.00 0.00 58.31 56.91 2dxm n LYS 40 Cb 0.42 -1.87 0.32 0.00 -0.02 0.00 0.00 35.03 33.89 2dxm n LYS 40 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2dxm n THR 41 N -2.15 0.94 0.41 -0.18 -2.24 -1.13 -1.83 114.28 108.10 2dxm n THR 41 Ca 0.00 0.24 0.10 0.00 -2.27 0.00 0.00 64.05 62.12 2dxm n THR 41 Cb 0.10 -0.98 0.15 0.00 -2.10 0.00 0.00 70.33 67.51 2dxm n THR 41 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2dxm n TYR 42 N -1.49 0.31 -2.61 4.78 4.01 -0.85 -4.51 117.16 116.79 2dxm n TYR 42 Ca 0.04 -0.18 -0.13 0.00 -0.16 0.00 0.00 57.90 57.47 2dxm n TYR 42 Cb 0.17 -0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.23 2dxm n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2dxm n PHE 43 N 1.20 1.74 0.20 -0.72 3.01 -0.76 -4.87 117.46 117.25 2dxm n PHE 43 Ca 0.15 -2.76 0.06 0.00 1.01 0.00 0.00 57.45 55.91 2dxm n PHE 43 Cb 0.52 -0.29 0.39 0.00 -0.01 0.00 0.00 39.48 40.09 2dxm n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2dxm h PRO 44 N 2.82 0.00 -0.52 -1.08 0.13 -1.79 -2.86 132.00 128.69 2dxm h PRO 44 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2dxm h PRO 44 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2dxm h PRO 44 CO 0.55 0.34 0.00 -2.39 -0.23 0.00 0.00 178.00 176.27 2dxm n HIS 45 N -3.59 0.59 -4.66 1.56 1.44 -1.26 -4.86 115.22 104.44 2dxm n HIS 45 Ca -0.01 -0.24 -0.30 0.00 -2.01 0.00 0.00 57.72 55.17 2dxm n HIS 45 Cb 0.47 -0.11 -0.13 0.00 0.12 0.00 0.00 29.99 30.33 2dxm n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2dxm s PHE 46 N -1.65 2.40 -0.39 -1.40 2.99 -1.08 -5.08 117.98 113.76 2dxm s PHE 46 Ca 0.21 -0.35 -0.25 0.00 0.00 0.00 0.00 56.93 56.54 2dxm s PHE 46 Cb 0.13 -1.37 0.02 0.00 0.00 0.00 0.00 43.02 41.80 2dxm s PHE 46 CO 0.11 0.23 0.86 0.34 -0.00 0.00 0.00 175.22 176.76 2dxm s ASP 47 N -1.57 6.57 -0.41 1.36 2.15 -1.26 -4.92 116.67 118.58 2dxm s ASP 47 Ca 0.14 0.34 0.03 0.00 0.43 0.00 0.00 52.55 53.49 2dxm s ASP 47 Cb -0.10 -2.43 0.59 0.00 -0.30 0.00 0.00 42.92 40.68 2dxm s ASP 47 CO 0.05 -0.86 1.83 0.18 -0.17 0.00 0.00 175.17 176.20 2dxm n LEU 48 N 6.72 6.41 -4.88 -1.34 4.77 -1.26 -4.65 117.00 122.77 2dxm n LEU 48 Ca 0.05 -3.43 -0.30 0.00 -0.03 0.00 0.00 56.01 52.31 2dxm n LEU 48 Cb 0.48 -0.81 -0.00 0.00 -2.33 0.00 0.00 43.42 40.76 2dxm n LEU 48 CO 0.58 1.01 0.59 -0.94 -1.33 0.00 0.00 177.39 177.30 2dxm s SER 49 N -1.08 6.29 0.04 -1.43 1.04 -1.26 -4.97 113.70 112.33 2dxm s SER 49 Ca 0.51 1.22 -0.33 0.00 0.48 0.00 0.00 55.95 57.84 2dxm s SER 49 Cb 0.43 -2.38 -0.11 0.00 0.10 0.00 0.00 66.02 64.06 2dxm s SER 49 CO 0.09 -0.70 1.83 1.57 0.98 0.00 0.00 173.24 177.01 2dxm n HIS 50 N -2.36 2.43 -1.35 5.02 -0.00 -1.26 -2.50 115.22 115.21 2dxm n HIS 50 Ca 0.04 -0.06 -0.04 0.00 0.46 0.00 0.00 57.72 58.12 2dxm n HIS 50 Cb 0.54 -2.68 -0.01 0.00 -0.12 0.00 0.00 29.99 27.72 2dxm n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2dxm n GLY 51 N 4.20 0.58 3.76 1.57 0.00 -1.26 -5.02 105.19 109.03 2dxm n GLY 51 Ca 0.20 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 2dxm n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dxm s SER 52 N -2.92 7.06 0.33 1.61 1.04 -1.04 -4.91 113.70 114.86 2dxm s SER 52 Ca 0.00 2.35 0.09 0.00 0.48 0.00 0.00 55.95 58.88 2dxm s SER 52 Cb 0.00 -2.63 0.84 0.00 0.10 0.00 0.00 66.02 64.33 2dxm s SER 52 CO 0.00 -0.30 1.78 0.00 0.98 0.00 0.00 173.24 175.70 2dxm h ALA 53 N 3.53 1.81 -0.44 5.32 0.00 -1.92 -1.90 119.26 125.65 2dxm h ALA 53 Ca -0.47 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2dxm h ALA 53 Cb 1.22 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2dxm h ALA 53 CO 0.66 -0.19 0.28 1.96 0.00 0.00 0.00 179.25 181.95 2dxm h GLN 54 N 0.66 0.59 -0.18 0.00 4.20 -1.91 0.23 115.11 118.70 2dxm h GLN 54 Ca 0.58 -0.05 -0.13 0.00 0.06 0.00 0.00 58.65 59.11 2dxm h GLN 54 Cb 1.04 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.68 2dxm h GLN 54 CO -0.36 0.42 -0.45 0.28 -0.67 0.00 0.00 178.83 178.05 2dxm h VAL 55 N 0.59 1.32 -0.40 -0.54 2.07 -1.63 -0.84 116.25 116.81 2dxm h VAL 55 Ca 0.16 -1.64 -0.14 0.00 0.82 0.00 0.00 66.70 65.89 2dxm h VAL 55 Cb -0.03 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2dxm h VAL 55 CO -0.03 0.50 -0.31 0.11 0.02 0.00 0.00 177.57 177.86 2dxm h LYS 56 N 0.35 0.92 -0.23 1.57 1.57 -1.18 -0.72 116.57 118.85 2dxm h LYS 56 Ca 0.02 -0.45 -0.14 0.00 -1.87 0.00 0.00 60.65 58.21 2dxm h LYS 56 Cb 0.93 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 2dxm h LYS 56 CO 0.08 1.11 -0.44 0.78 -0.57 0.00 0.00 179.45 180.41 2dxm h GLY 57 N 0.74 0.62 1.34 3.86 0.00 -0.41 -2.63 103.07 106.59 2dxm h GLY 57 Ca 0.07 -0.64 -0.19 0.00 0.00 0.00 0.00 47.33 46.57 2dxm h GLY 57 CO 0.08 0.58 -0.67 0.84 0.00 0.00 0.00 176.54 177.37 2dxm h HIS 58 N 0.46 0.87 -0.78 5.60 -0.00 -1.12 -3.01 115.15 117.17 2dxm h HIS 58 Ca 0.03 -0.35 0.06 0.00 -0.00 0.00 0.00 60.37 60.11 2dxm h HIS 58 Cb 0.95 -0.15 -0.05 0.00 -0.00 0.00 0.00 27.41 28.16 2dxm h HIS 58 CO 0.04 1.15 0.51 0.78 -0.00 0.00 0.00 177.93 180.40 2dxm h GLY 59 N 0.87 1.06 1.57 5.26 0.00 -0.98 -1.56 103.07 109.29 2dxm h GLY 59 Ca -0.02 -0.34 -0.18 0.00 0.00 0.00 0.00 47.33 46.79 2dxm h GLY 59 CO 0.13 0.25 -0.68 1.70 0.00 0.00 0.00 176.54 177.94 2dxm h LYS 60 N 0.84 0.43 -0.30 4.80 3.64 -1.37 -2.18 116.57 122.43 2dxm h LYS 60 Ca 0.33 -0.33 -0.15 0.00 -1.27 0.00 0.00 60.65 59.23 2dxm h LYS 60 Cb 0.23 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2dxm h LYS 60 CO -0.11 0.96 -0.42 0.87 -2.27 0.00 0.00 179.45 178.47 2dxm h LYS 61 N 0.31 0.73 -0.17 1.90 1.57 -1.28 -0.04 116.57 119.59 2dxm h LYS 61 Ca -0.02 -0.39 -0.09 0.00 -1.87 0.00 0.00 60.65 58.28 2dxm h LYS 61 Cb 1.24 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 2dxm h LYS 61 CO 0.12 1.01 -0.29 0.28 -0.57 0.00 0.00 179.45 180.00 2dxm h VAL 62 N 0.60 1.26 -0.11 0.50 2.07 -1.30 -0.99 116.25 118.28 2dxm h VAL 62 Ca 0.04 -1.27 -0.18 0.00 0.82 0.00 0.00 66.70 66.12 2dxm h VAL 62 Cb 0.97 1.46 0.01 0.00 -1.52 0.00 0.00 31.29 32.21 2dxm h VAL 62 CO 0.09 0.39 -0.64 0.00 0.02 0.00 0.00 177.57 177.43 2dxm h ALA 63 N 1.42 0.23 -0.39 1.67 0.00 -1.10 -2.64 119.26 118.44 2dxm h ALA 63 Ca 0.04 -0.56 -0.07 0.00 0.00 0.00 0.00 54.91 54.32 2dxm h ALA 63 Cb 0.66 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2dxm h ALA 63 CO 0.05 0.51 -0.05 -0.44 0.00 0.00 0.00 179.25 179.32 2dxm h ASP 64 N 0.28 0.63 0.39 0.00 5.19 -0.84 -1.33 116.42 120.74 2dxm h ASP 64 Ca -0.05 -0.15 -0.11 0.00 -0.62 0.00 0.00 57.03 56.10 2dxm h ASP 64 Cb 1.28 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 40.61 2dxm h ASP 64 CO 0.13 0.73 -0.49 0.00 -3.12 0.00 0.00 179.24 176.49 2dxm h ALA 65 N 1.34 1.10 -0.07 3.45 0.00 -1.17 -2.10 119.26 121.81 2dxm h ALA 65 Ca 0.12 -0.46 -0.25 0.00 0.00 0.00 0.00 54.91 54.32 2dxm h ALA 65 Cb 0.45 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.18 2dxm h ALA 65 CO 0.02 0.63 -0.93 -0.07 0.00 0.00 0.00 179.25 178.91 2dxm h LEU 66 N 0.10 0.94 -0.63 0.00 3.38 -1.08 -2.77 115.31 115.24 2dxm h LEU 66 Ca 0.00 -0.69 -0.02 0.00 0.09 0.00 0.00 57.88 57.26 2dxm h LEU 66 Cb 0.90 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 2dxm h LEU 66 CO 0.07 1.49 0.30 0.74 0.09 0.00 0.00 178.44 181.13 2dxm h THR 67 N 0.47 1.22 -0.49 0.22 2.02 -1.10 -1.36 112.91 113.89 2dxm h THR 67 Ca -0.10 -0.63 -0.07 0.00 0.77 0.00 0.00 66.41 66.39 2dxm h THR 67 Cb 1.57 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.42 2dxm h THR 67 CO 0.19 0.26 0.01 -1.13 0.37 0.00 0.00 175.52 175.21 2dxm h ASN 68 N 0.87 0.77 -0.71 4.18 -1.24 -1.44 -1.22 115.58 116.79 2dxm h ASN 68 Ca 0.22 -0.18 -0.07 0.00 0.71 0.00 0.00 56.30 56.98 2dxm h ASN 68 Cb 0.13 -0.20 -0.03 0.00 0.73 0.00 0.00 38.32 38.94 2dxm h ASN 68 CO -0.03 0.82 0.18 0.00 -1.29 0.00 0.00 177.43 177.12 2dxm h ALA 69 N 1.26 0.94 -0.37 1.57 0.00 -1.15 -1.53 119.26 119.98 2dxm h ALA 69 Ca 0.15 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 2dxm h ALA 69 Cb 0.44 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2dxm h ALA 69 CO 0.02 0.66 -0.38 0.28 0.00 0.00 0.00 179.25 179.82 2dxm h VAL 70 N 1.07 1.27 0.00 0.00 2.07 -1.00 -1.25 116.25 118.41 2dxm h VAL 70 Ca 0.22 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 66.19 2dxm h VAL 70 Cb 0.37 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2dxm h VAL 70 CO 0.00 0.52 0.00 0.00 0.02 0.00 0.00 177.57 178.11 2dxm h ALA 71 N 0.82 1.00 -1.10 1.67 0.00 -1.01 -2.89 119.26 117.75 2dxm h ALA 71 Ca 0.06 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.52 2dxm h ALA 71 Cb 0.97 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.35 2dxm h ALA 71 CO 0.09 0.00 -0.98 0.72 0.00 0.00 0.00 179.25 179.08 2dxm n HIS 72 N -2.85 2.15 0.25 0.00 8.25 -0.59 -4.89 115.22 117.53 2dxm n HIS 72 Ca 0.00 -2.78 0.12 0.00 -0.26 0.00 0.00 57.72 54.80 2dxm n HIS 72 Cb 0.23 -0.25 0.62 0.00 1.12 0.00 0.00 29.99 31.71 2dxm n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 2dxm h VAL 73 N 3.07 0.57 -0.00 1.59 3.04 -1.01 -2.10 116.25 121.40 2dxm h VAL 73 Ca 0.09 -0.77 0.00 0.00 -1.01 0.00 0.00 66.70 65.00 2dxm h VAL 73 Cb 1.13 1.51 0.00 0.00 -2.01 0.00 0.00 31.29 31.92 2dxm h VAL 73 CO 0.62 0.16 -0.02 0.47 -1.01 0.00 0.00 177.57 177.79 2dxm n ASP 74 N -3.54 0.11 -2.79 3.17 8.00 -1.26 -4.22 116.55 116.02 2dxm n ASP 74 Ca -0.01 -0.47 -0.10 0.00 0.71 0.00 0.00 54.79 54.92 2dxm n ASP 74 Cb 0.31 -0.17 0.05 0.00 -0.02 0.00 0.00 41.12 41.30 2dxm n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2dxm n ASP 75 N -1.12 -2.32 0.06 -2.24 2.03 -0.81 -5.02 116.55 107.13 2dxm n ASP 75 Ca 0.17 -3.41 -0.09 0.00 0.52 0.00 0.00 54.79 51.98 2dxm n ASP 75 Cb 0.21 1.60 0.03 0.00 -0.72 0.00 0.00 41.12 42.24 2dxm n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 2dxm h MET 76 N 3.57 0.37 -0.79 -0.67 2.86 -1.68 -3.12 114.93 115.47 2dxm h MET 76 Ca -0.10 -0.31 0.02 0.00 -2.06 0.00 0.00 59.70 57.25 2dxm h MET 76 Cb 1.04 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.73 2dxm h MET 76 CO 0.27 0.95 0.52 -1.35 1.06 0.00 0.00 176.91 178.37 2dxm h PRO 77 N 0.25 0.99 0.00 -0.22 0.11 -1.95 0.15 132.00 131.33 2dxm h PRO 77 Ca -0.03 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 65.90 2dxm h PRO 77 Cb 1.32 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 2dxm h PRO 77 CO 0.12 0.65 -0.57 -0.91 -0.21 0.00 0.00 178.00 177.09 2dxm h ASN 78 N 1.02 0.00 0.79 -2.05 4.21 -1.97 -2.10 115.58 115.48 2dxm h ASN 78 Ca 0.31 0.00 -0.25 0.00 1.21 0.00 0.00 56.30 57.57 2dxm h ASN 78 Cb -0.02 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.16 2dxm h ASN 78 CO -0.08 0.57 -1.18 0.00 -1.29 0.00 0.00 177.43 175.44 2dxm h ALA 79 N 1.43 0.29 -0.56 -0.83 0.00 -1.36 -3.30 119.26 114.93 2dxm h ALA 79 Ca -0.01 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 53.94 2dxm h ALA 79 Cb 1.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2dxm h ALA 79 CO 0.07 1.17 0.00 1.28 0.00 0.00 0.00 179.25 181.78 2dxm n LEU 80 N -3.40 4.28 0.08 0.00 4.77 0.49 -4.71 117.00 118.51 2dxm n LEU 80 Ca -0.06 -2.39 -0.13 0.00 -0.03 0.00 0.00 56.01 53.41 2dxm n LEU 80 Cb 0.99 -0.51 -0.06 0.00 -2.33 0.00 0.00 43.42 41.51 2dxm n LEU 80 CO 0.49 0.80 0.63 -1.28 -1.33 0.00 0.00 177.39 176.71 2dxm h SER 81 N 3.50 -1.04 -0.63 -1.43 0.87 -1.46 -0.46 113.55 112.90 2dxm h SER 81 Ca 0.00 0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.64 2dxm h SER 81 Cb 1.28 0.41 -0.03 0.00 -0.44 0.00 0.00 62.40 63.62 2dxm h SER 81 CO 0.17 -0.42 0.22 0.00 -0.53 0.00 0.00 176.83 176.27 2dxm h ALA 82 N 0.11 1.14 -0.08 6.23 0.00 -1.87 -2.27 119.26 122.53 2dxm h ALA 82 Ca 0.05 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 2dxm h ALA 82 Cb 0.60 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2dxm h ALA 82 CO -0.25 0.60 -0.56 1.25 0.00 0.00 0.00 179.25 180.29 2dxm h LEU 83 N 0.96 0.26 -0.48 0.00 5.85 -1.84 -1.94 115.31 118.13 2dxm h LEU 83 Ca 0.22 -0.14 -0.17 0.00 0.84 0.00 0.00 57.88 58.63 2dxm h LEU 83 Cb 0.26 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2dxm h LEU 83 CO -0.01 0.76 -0.68 0.77 -0.34 0.00 0.00 178.44 178.94 2dxm h SER 84 N 0.18 0.44 -0.58 1.25 4.64 -0.84 -1.84 113.55 116.79 2dxm h SER 84 Ca 0.00 -0.27 -0.09 0.00 -0.47 0.00 0.00 61.79 60.96 2dxm h SER 84 Cb 1.03 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.97 2dxm h SER 84 CO 0.09 0.99 0.00 0.44 -0.87 0.00 0.00 176.83 177.48 2dxm h ASP 85 N 0.26 1.01 -0.47 4.97 3.32 -1.19 -1.61 116.42 122.72 2dxm h ASP 85 Ca -0.02 -0.28 -0.06 0.00 0.02 0.00 0.00 57.03 56.69 2dxm h ASP 85 Cb 1.23 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.49 2dxm h ASP 85 CO 0.11 1.06 0.08 0.25 -1.72 0.00 0.00 179.24 179.02 2dxm h LEU 86 N 0.95 0.74 -0.29 1.55 5.85 -1.19 -1.20 115.31 121.72 2dxm h LEU 86 Ca 0.17 -0.26 -0.08 0.00 0.84 0.00 0.00 57.88 58.55 2dxm h LEU 86 Cb 0.54 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 2dxm h LEU 86 CO 0.03 0.81 -0.40 0.45 -0.34 0.00 0.00 178.44 178.99 2dxm h HIS 87 N 0.64 0.00 0.08 1.25 3.86 -1.29 -1.82 115.15 117.87 2dxm h HIS 87 Ca 0.14 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.24 2dxm h HIS 87 Cb 0.39 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.86 2dxm h HIS 87 CO 0.03 0.40 -0.53 0.00 0.86 0.00 0.00 177.93 178.69 2dxm h ALA 88 N 1.60 -0.02 0.00 2.45 0.00 -1.17 0.34 119.26 122.46 2dxm h ALA 88 Ca -0.00 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2dxm h ALA 88 Cb 1.19 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2dxm h ALA 88 CO 0.05 0.26 -1.38 0.72 0.00 0.00 0.00 179.25 178.90 2dxm n HIS 89 N -4.33 0.15 0.03 0.00 8.25 -0.46 -4.54 115.22 114.32 2dxm n HIS 89 Ca -0.14 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 2dxm n HIS 89 Cb 0.68 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 31.40 2dxm n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2dxm n LYS 90 N -2.01 0.00 -0.31 -0.41 5.02 -1.09 -4.87 118.16 114.50 2dxm n LYS 90 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 2dxm n LYS 90 Cb 0.47 -0.21 0.08 0.00 -0.02 0.00 0.00 35.03 35.34 2dxm n LYS 90 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2dxm h LEU 91 N 0.00 1.04 -3.73 -0.35 3.38 -1.49 -3.47 115.31 110.69 2dxm h LEU 91 Ca 0.00 -0.10 -0.54 0.00 0.09 0.00 0.00 57.88 57.34 2dxm h LEU 91 Cb 0.00 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.50 2dxm h LEU 91 CO 0.00 0.84 -0.99 0.54 0.09 0.00 0.00 178.44 178.92 2dxm n ARG 92 N -4.39 -0.66 -3.06 1.13 1.74 0.11 -4.94 116.66 106.60 2dxm n ARG 92 Ca 0.08 0.28 -0.40 0.00 -0.77 0.00 0.00 57.85 57.05 2dxm n ARG 92 Cb 0.09 -2.89 -0.05 0.00 -1.02 0.00 0.00 32.46 28.59 2dxm n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2dxm s VAL 93 N -3.42 4.91 0.21 1.55 1.01 -1.25 -5.01 120.40 118.40 2dxm s VAL 93 Ca 0.41 1.47 -0.31 0.00 0.00 0.00 0.00 61.98 63.55 2dxm s VAL 93 Cb -0.21 -4.04 -0.11 0.00 0.00 0.00 0.00 36.38 32.02 2dxm s VAL 93 CO 0.93 0.32 1.61 -0.62 0.00 0.00 0.00 175.10 177.35 2dxm s ASP 94 N 0.30 6.48 0.58 3.32 2.15 -1.26 -4.86 116.67 123.38 2dxm s ASP 94 Ca 0.37 2.77 0.30 0.00 0.43 0.00 0.00 52.55 56.42 2dxm s ASP 94 Cb -0.19 -2.61 1.37 0.00 -0.30 0.00 0.00 42.92 41.19 2dxm s ASP 94 CO 0.20 -0.88 1.73 -0.65 -0.17 0.00 0.00 175.17 175.40 2dxm h PRO 95 N 6.22 0.00 0.00 4.34 0.11 -2.00 -1.61 132.00 139.06 2dxm h PRO 95 Ca -0.44 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 2dxm h PRO 95 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2dxm h PRO 95 CO 0.89 0.00 -0.09 -0.24 -0.21 0.00 0.00 178.00 178.35 2dxm h VAL 96 N 0.00 0.56 0.00 3.15 3.04 -2.04 -2.45 116.25 118.51 2dxm h VAL 96 Ca 0.36 -0.40 0.00 0.00 -1.01 0.00 0.00 66.70 65.65 2dxm h VAL 96 Cb 1.87 1.26 0.00 0.00 -2.01 0.00 0.00 31.29 32.41 2dxm h VAL 96 CO -0.00 0.09 0.00 0.59 -1.01 0.00 0.00 177.57 177.24 2dxm n ASN 97 N -3.69 0.52 0.15 3.17 3.02 -0.61 -3.13 115.26 114.69 2dxm n ASN 97 Ca -0.02 0.56 0.01 0.00 -0.03 0.00 0.00 54.58 55.10 2dxm n ASN 97 Cb 0.20 -0.70 0.19 0.00 -0.61 0.00 0.00 39.78 38.86 2dxm n ASN 97 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 2dxm h PHE 98 N 0.00 0.00 0.01 3.10 0.04 -1.62 -2.89 116.94 115.58 2dxm h PHE 98 Ca 0.00 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.56 2dxm h PHE 98 Cb 0.59 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.74 2dxm h PHE 98 CO 0.00 0.55 -0.92 0.87 -0.60 0.00 0.00 178.31 178.22 2dxm h LYS 99 N 0.00 0.23 -0.37 1.51 1.57 -1.70 -2.54 116.57 115.26 2dxm h LYS 99 Ca -0.01 -0.26 -0.14 0.00 -1.87 0.00 0.00 60.65 58.38 2dxm h LYS 99 Cb 1.12 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 2dxm h LYS 99 CO 0.07 1.00 -0.32 -0.07 -0.57 0.00 0.00 179.45 179.56 2dxm h LEU 100 N 0.12 0.85 -0.37 2.94 3.38 -1.64 -2.29 115.31 118.30 2dxm h LEU 100 Ca -0.05 -0.35 -0.17 0.00 0.09 0.00 0.00 57.88 57.39 2dxm h LEU 100 Cb 1.56 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 42.07 2dxm h LEU 100 CO 0.14 1.10 -0.46 0.25 0.09 0.00 0.00 178.44 179.56 2dxm h LEU 101 N 0.68 0.96 -0.73 1.67 5.85 -1.54 -2.81 115.31 119.40 2dxm h LEU 101 Ca 0.07 -0.48 -0.06 0.00 0.84 0.00 0.00 57.88 58.25 2dxm h LEU 101 Cb 0.87 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 2dxm h LEU 101 CO 0.08 1.27 0.20 0.28 -0.34 0.00 0.00 178.44 179.93 2dxm h SER 102 N 0.70 1.09 -0.04 1.25 0.02 -1.38 -1.59 113.55 113.60 2dxm h SER 102 Ca 0.04 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 60.77 2dxm h SER 102 Cb 1.06 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 63.31 2dxm h SER 102 CO 0.11 1.02 0.02 -0.74 -1.14 0.00 0.00 176.83 176.10 2dxm h HIS 103 N 1.10 0.06 0.00 3.45 -0.00 -1.43 -1.49 115.15 116.84 2dxm h HIS 103 Ca 0.23 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.58 2dxm h HIS 103 Cb 0.34 -0.02 -0.00 0.00 -0.00 0.00 0.00 27.41 27.73 2dxm h HIS 103 CO 0.03 0.13 -0.09 0.00 -0.00 0.00 0.00 177.93 178.00 2dxm h LEU 105 N 0.00 0.52 -0.85 0.00 3.38 -0.90 -2.81 115.31 114.64 2dxm h LEU 105 Ca -0.00 -0.68 0.01 0.00 0.09 0.00 0.00 57.88 57.31 2dxm h LEU 105 Cb 0.22 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 2dxm h LEU 105 CO 0.01 1.11 0.56 -0.07 0.09 0.00 0.00 178.44 180.15 2dxm h LEU 106 N -0.04 0.96 -0.84 1.67 3.38 -0.38 -0.32 115.31 119.75 2dxm h LEU 106 Ca -0.04 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2dxm h LEU 106 Cb 1.13 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 2dxm h LEU 106 CO 0.09 0.69 0.44 0.58 0.09 0.00 0.00 178.44 180.34 2dxm h VAL 107 N 1.13 1.25 -0.28 1.22 2.07 -1.31 -0.48 116.25 119.85 2dxm h VAL 107 Ca 0.32 -0.65 -0.07 0.00 0.82 0.00 0.00 66.70 67.12 2dxm h VAL 107 Cb -0.11 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 2dxm h VAL 107 CO -0.08 0.29 -0.10 0.74 0.02 0.00 0.00 177.57 178.44 2dxm h THR 108 N 1.17 1.29 -0.42 2.57 2.02 -1.12 -1.07 112.91 117.35 2dxm h THR 108 Ca 0.29 -1.15 -0.09 0.00 0.77 0.00 0.00 66.41 66.23 2dxm h THR 108 Cb 0.06 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 2dxm h THR 108 CO -0.04 0.37 -0.12 -0.07 0.37 0.00 0.00 175.52 176.02 2dxm h LEU 109 N 0.32 0.75 -1.02 2.58 3.38 -0.91 -2.55 115.31 117.86 2dxm h LEU 109 Ca 0.07 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 2dxm h LEU 109 Cb 0.59 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2dxm h LEU 109 CO 0.03 0.89 -0.17 0.00 0.09 0.00 0.00 178.44 179.29 2dxm h ALA 110 N 1.18 1.18 0.00 1.53 0.00 -0.93 0.11 119.26 122.33 2dxm h ALA 110 Ca 0.12 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2dxm h ALA 110 Cb 0.59 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2dxm h ALA 110 CO 0.04 0.52 -0.04 0.00 0.00 0.00 0.00 179.25 179.78 2dxm n ALA 111 N -2.48 2.40 0.01 0.00 0.00 -0.42 -3.89 120.51 116.12 2dxm n ALA 111 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2dxm n ALA 111 Cb 0.36 -1.45 -0.00 0.00 0.00 0.00 0.00 19.45 18.36 2dxm n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2dxm n HIS 112 N -1.64 0.00 -3.34 0.00 -0.00 -0.99 -4.85 115.22 104.39 2dxm n HIS 112 Ca 0.07 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.52 2dxm n HIS 112 Cb 0.36 -0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.27 2dxm n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2dxm n LEU 113 N -1.04 3.41 -0.37 2.41 4.77 0.35 -4.95 117.00 121.58 2dxm n LEU 113 Ca 0.00 -5.38 0.02 0.00 -0.03 0.00 0.00 56.01 50.62 2dxm n LEU 113 Cb 0.00 -0.49 0.17 0.00 -2.33 0.00 0.00 43.42 40.77 2dxm n LEU 113 CO 0.00 2.09 1.27 -0.65 -1.33 0.00 0.00 177.39 178.78 2dxm h PRO 114 N 4.01 1.16 0.00 3.23 0.11 -1.84 -2.36 132.00 136.32 2dxm h PRO 114 Ca 0.18 -0.07 -0.21 0.00 0.11 0.00 0.00 66.00 66.00 2dxm h PRO 114 Cb 0.67 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 31.49 2dxm h PRO 114 CO 0.79 0.77 -1.16 0.00 -0.21 0.00 0.00 178.00 178.18 2dxm h ALA 115 N 1.45 0.55 0.00 -0.75 0.00 -1.96 -3.36 119.26 115.19 2dxm h ALA 115 Ca 0.42 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2dxm h ALA 115 Cb 0.13 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2dxm h ALA 115 CO -0.16 1.22 -0.98 0.39 0.00 0.00 0.00 179.25 179.72 2dxm n GLU 116 N -3.20 0.36 -1.66 0.00 4.71 -1.19 -4.59 120.64 115.07 2dxm n GLU 116 Ca -0.05 0.03 -0.40 0.00 -0.01 0.00 0.00 57.16 56.72 2dxm n GLU 116 Cb 0.93 -1.65 -0.01 0.00 -1.01 0.00 0.00 31.44 29.70 2dxm n GLU 116 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2dxm n PHE 117 N -2.12 2.80 -2.03 -0.32 7.35 -0.89 -4.75 117.46 117.49 2dxm n PHE 117 Ca 0.02 -2.98 -0.29 0.00 -0.76 0.00 0.00 57.45 53.44 2dxm n PHE 117 Cb 0.46 -2.33 0.06 0.00 0.35 0.00 0.00 39.48 38.02 2dxm n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2dxm s THR 118 N 1.63 2.99 0.29 -2.13 -4.23 -1.26 -4.81 115.64 108.12 2dxm s THR 118 Ca 0.58 0.17 -0.00 0.00 -1.18 0.00 0.00 61.69 61.25 2dxm s THR 118 Cb 0.16 -3.29 0.28 0.00 1.34 0.00 0.00 72.50 70.99 2dxm s THR 118 CO -0.07 -0.36 1.90 -0.65 -0.54 0.00 0.00 174.62 174.91 2dxm h PRO 119 N -0.65 1.05 0.00 3.99 0.11 -1.99 0.41 132.00 134.92 2dxm h PRO 119 Ca -0.45 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.51 2dxm h PRO 119 Cb 1.28 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2dxm h PRO 119 CO 0.63 0.70 -0.39 0.00 -0.21 0.00 0.00 178.00 178.73 2dxm h ALA 120 N 1.49 1.26 0.02 -0.75 0.00 -1.96 -2.22 119.26 117.09 2dxm h ALA 120 Ca 0.41 -0.35 -0.26 0.00 0.00 0.00 0.00 54.91 54.70 2dxm h ALA 120 Cb 0.19 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2dxm h ALA 120 CO -0.16 0.48 -1.37 0.28 0.00 0.00 0.00 179.25 178.49 2dxm h VAL 121 N 0.00 1.28 -0.23 0.00 2.07 -1.69 -3.04 116.25 114.65 2dxm h VAL 121 Ca -0.00 -3.04 -0.01 0.00 0.82 0.00 0.00 66.70 64.47 2dxm h VAL 121 Cb 0.73 2.67 -0.01 0.00 -1.52 0.00 0.00 31.29 33.16 2dxm h VAL 121 CO 0.05 0.76 0.12 -0.74 0.02 0.00 0.00 177.57 177.79 2dxm h HIS 122 N 0.01 0.31 0.35 1.57 6.17 -0.76 -1.88 115.15 120.93 2dxm h HIS 122 Ca -0.16 -0.01 -0.02 0.00 0.71 0.00 0.00 60.37 60.90 2dxm h HIS 122 Cb 1.91 -0.10 0.00 0.00 2.52 0.00 0.00 27.41 31.74 2dxm h HIS 122 CO 0.01 0.28 -0.17 0.00 0.71 0.00 0.00 177.93 178.77 2dxm h ALA 123 N 1.00 -0.47 -0.43 5.26 0.00 -1.50 -2.21 119.26 120.91 2dxm h ALA 123 Ca 0.08 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2dxm h ALA 123 Cb 0.07 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2dxm h ALA 123 CO -0.01 -0.75 0.29 0.77 0.00 0.00 0.00 179.25 179.55 2dxm h SER 124 N -0.50 0.44 0.17 0.00 0.02 -1.47 -1.75 113.55 110.46 2dxm h SER 124 Ca -0.05 -0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.71 2dxm h SER 124 Cb 0.38 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.81 2dxm h SER 124 CO 0.08 0.31 -0.72 -0.07 -1.14 0.00 0.00 176.83 175.29 2dxm h LEU 125 N 0.51 0.57 -0.95 5.07 3.38 -1.21 -1.69 115.31 120.99 2dxm h LEU 125 Ca 0.17 -0.37 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 2dxm h LEU 125 Cb 0.05 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2dxm h LEU 125 CO -0.04 1.11 -0.31 -0.78 0.09 0.00 0.00 178.44 178.51 2dxm h ASP 126 N 0.34 0.40 -0.15 -0.43 3.58 -0.71 -1.08 116.42 118.37 2dxm h ASP 126 Ca -0.03 -0.15 -0.20 0.00 0.42 0.00 0.00 57.03 57.07 2dxm h ASP 126 Cb 1.30 -0.11 0.01 0.00 1.72 0.00 0.00 39.33 42.25 2dxm h ASP 126 CO 0.13 0.70 -0.69 0.11 -2.88 0.00 0.00 179.24 176.61 2dxm h LYS 127 N 0.34 0.73 -0.78 0.28 1.57 -1.30 -2.58 116.57 114.83 2dxm h LYS 127 Ca 0.05 -0.59 -0.02 0.00 -1.87 0.00 0.00 60.65 58.22 2dxm h LYS 127 Cb 0.72 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 33.11 2dxm h LYS 127 CO 0.05 1.20 0.41 0.35 -0.57 0.00 0.00 179.45 180.90 2dxm h PHE 128 N 0.44 1.08 0.00 -1.35 3.57 -1.07 -0.78 116.94 118.83 2dxm h PHE 128 Ca -0.04 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.42 2dxm h PHE 128 Cb 1.32 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.72 2dxm h PHE 128 CO 0.09 0.76 0.00 -0.07 -2.23 0.00 0.00 178.31 176.87 2dxm h LEU 129 N 1.08 0.00 0.09 0.59 3.38 -1.24 -2.17 115.31 117.04 2dxm h LEU 129 Ca 0.27 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.95 2dxm h LEU 129 Cb 0.05 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.83 2dxm h LEU 129 CO -0.04 0.00 -1.22 0.00 0.09 0.00 0.00 178.44 177.27 2dxm h ALA 130 N 2.08 0.03 -0.28 1.53 0.00 -0.98 -2.94 119.26 118.69 2dxm h ALA 130 Ca 0.00 -0.77 -0.07 0.00 0.00 0.00 0.00 54.91 54.07 2dxm h ALA 130 Cb 0.76 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2dxm h ALA 130 CO 0.00 0.71 -0.10 0.77 0.00 0.00 0.00 179.25 180.63 2dxm h SER 131 N 0.28 0.58 -0.78 0.00 0.02 -1.01 -1.75 113.55 110.89 2dxm h SER 131 Ca -0.18 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 60.39 2dxm h SER 131 Cb 1.89 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 64.23 2dxm h SER 131 CO 0.23 0.84 0.50 0.58 -1.14 0.00 0.00 176.83 177.84 2dxm h VAL 132 N 0.32 1.21 -0.27 2.27 2.07 -1.49 -1.60 116.25 118.75 2dxm h VAL 132 Ca 0.07 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 2dxm h VAL 132 Cb 0.60 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2dxm h VAL 132 CO 0.04 0.21 0.13 0.28 0.02 0.00 0.00 177.57 178.24 2dxm h SER 133 N 1.06 0.36 -0.67 0.57 0.02 -1.40 -0.80 113.55 112.68 2dxm h SER 133 Ca 0.28 -0.13 0.04 0.00 -0.84 0.00 0.00 61.79 61.15 2dxm h SER 133 Cb -0.09 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.31 2dxm h SER 133 CO -0.06 0.39 0.40 0.74 -1.14 0.00 0.00 176.83 177.16 2dxm h THR 134 N 0.30 1.04 -0.31 -2.27 2.02 -0.92 -1.57 112.91 111.21 2dxm h THR 134 Ca 0.09 -0.26 -0.12 0.00 0.77 0.00 0.00 66.41 66.89 2dxm h THR 134 Cb 0.13 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 2dxm h THR 134 CO -0.01 0.14 -0.31 0.58 0.37 0.00 0.00 175.52 176.28 2dxm h VAL 135 N 0.76 1.28 0.00 3.16 2.07 -1.12 -1.00 116.25 121.41 2dxm h VAL 135 Ca 0.28 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.36 2dxm h VAL 135 Cb 0.09 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2dxm h VAL 135 CO -0.14 0.47 0.00 -0.07 0.02 0.00 0.00 177.57 177.85 2dxm h LEU 136 N 0.56 0.00 -3.05 2.57 3.38 -0.51 -3.11 115.31 115.16 2dxm h LEU 136 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2dxm h LEU 136 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2dxm h LEU 136 CO 0.07 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.95 2dxm n THR 137 N -2.96 1.68 0.63 0.22 -2.24 -0.65 -4.56 114.28 106.41 2dxm n THR 137 Ca 0.01 -1.75 0.13 0.00 -2.27 0.00 0.00 64.05 60.17 2dxm n THR 137 Cb 0.32 0.01 0.45 0.00 -2.10 0.00 0.00 70.33 69.00 2dxm n THR 137 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2dxm n SER 138 N -0.78 0.65 -0.74 3.42 3.41 -0.41 -3.49 113.62 115.69 2dxm n SER 138 Ca 0.13 0.58 0.09 0.00 -0.26 0.00 0.00 58.87 59.41 2dxm n SER 138 Cb 0.59 -0.75 0.23 0.00 -0.26 0.00 0.00 64.21 64.03 2dxm n SER 138 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2dxm n LYS 139 N -2.13 2.64 0.11 4.33 5.02 -1.26 -4.68 118.16 122.19 2dxm n LYS 139 Ca 0.05 -2.76 -0.01 0.00 -2.02 0.00 0.00 58.31 53.57 2dxm n LYS 139 Cb 0.37 -1.76 0.26 0.00 -0.02 0.00 0.00 35.03 33.88 2dxm n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 2dxm h TYR 140 N 1.48 0.22 0.00 2.13 0.99 -1.88 -3.46 116.97 116.46 2dxm h TYR 140 Ca 0.00 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.67 2dxm h TYR 140 Cb 1.34 -0.05 0.00 0.00 1.00 0.00 0.00 36.73 39.02 2dxm h TYR 140 CO 0.40 0.55 0.00 2.89 -0.00 0.00 0.00 178.16 182.00