#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dxc h SER 4 N 0.00 0.32 -0.13 -3.46 0.87 -2.05 0.12 113.55 109.22 2dxc h SER 4 Ca 0.00 -0.10 -0.07 0.00 -1.23 0.00 0.00 61.79 60.38 2dxc h SER 4 Cb 0.00 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 61.87 2dxc h SER 4 CO 0.00 0.59 -0.21 0.40 -0.53 0.00 0.00 176.83 177.09 2dxc h ILE 5 N 0.29 1.37 -0.84 2.23 5.03 -2.05 -2.34 117.51 121.19 2dxc h ILE 5 Ca 0.04 -1.45 -0.02 0.00 -0.12 0.00 0.00 64.86 63.32 2dxc h ILE 5 Cb 0.64 2.00 -0.04 0.00 -3.03 0.00 0.00 36.82 36.39 2dxc h ILE 5 CO 0.05 0.42 0.46 0.03 -0.68 0.00 0.00 178.15 178.43 2dxc h ARG 6 N -0.03 1.16 -0.75 2.37 2.47 -1.92 0.20 114.38 117.88 2dxc h ARG 6 Ca 0.01 -0.13 -0.02 0.00 -1.26 0.00 0.00 59.98 58.58 2dxc h ARG 6 Cb 0.78 -0.23 -0.04 0.00 -1.65 0.00 0.00 29.97 28.84 2dxc h ARG 6 CO 0.05 0.85 0.40 0.93 0.56 0.00 0.00 179.97 182.75 2dxc h GLU 7 N 1.17 1.06 -0.30 0.04 5.08 -0.72 -0.21 114.58 120.71 2dxc h GLU 7 Ca 0.29 -0.13 -0.12 0.00 -1.00 0.00 0.00 59.36 58.41 2dxc h GLU 7 Cb 0.02 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 2dxc h GLU 7 CO -0.05 0.80 -0.29 1.49 -1.00 0.00 0.00 179.01 179.96 2dxc h GLU 8 N 1.04 0.61 -0.07 2.33 4.81 -0.82 -1.39 114.58 121.10 2dxc h GLU 8 Ca 0.26 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2dxc h GLU 8 Cb 0.06 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 2dxc h GLU 8 CO -0.04 0.84 0.04 0.28 -0.73 0.00 0.00 179.01 179.40 2dxc h VAL 9 N 0.53 1.05 -0.04 0.32 2.07 -0.28 -1.11 116.25 118.78 2dxc h VAL 9 Ca 0.07 -0.13 -0.08 0.00 0.82 0.00 0.00 66.70 67.37 2dxc h VAL 9 Cb 0.77 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2dxc h VAL 9 CO 0.06 0.04 -0.36 0.45 0.02 0.00 0.00 177.57 177.79 2dxc h HIS 10 N 0.05 0.09 -0.33 1.57 3.86 -0.91 -1.37 115.15 118.11 2dxc h HIS 10 Ca 0.02 -0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.09 2dxc h HIS 10 Cb 0.03 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 2dxc h HIS 10 CO -0.06 0.44 -0.29 0.00 0.86 0.00 0.00 177.93 178.88 2dxc h ARG 11 N 0.07 0.68 -0.25 2.45 3.08 -1.00 -2.69 114.38 116.73 2dxc h ARG 11 Ca 0.01 -0.30 -0.03 0.00 0.07 0.00 0.00 59.98 59.73 2dxc h ARG 11 Cb 0.67 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 2dxc h ARG 11 CO 0.05 0.89 0.05 1.25 -1.07 0.00 0.00 179.97 181.14 2dxc h HIS 12 N 0.59 0.43 -0.29 3.04 2.76 -0.59 0.35 115.15 121.44 2dxc h HIS 12 Ca 0.07 -0.06 0.02 0.00 -2.20 0.00 0.00 60.37 58.20 2dxc h HIS 12 Cb 0.79 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.62 2dxc h HIS 12 CO 0.04 0.52 0.19 -0.07 -1.30 0.00 0.00 177.93 177.30 2dxc h LEU 13 N 0.22 0.26 0.06 0.26 3.38 -1.19 -1.20 115.31 117.10 2dxc h LEU 13 Ca 0.08 -0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.78 2dxc h LEU 13 Cb 0.31 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2dxc h LEU 13 CO 0.00 0.18 -1.26 1.23 0.09 0.00 0.00 178.44 178.69 2dxc h GLY 14 N 0.31 0.14 1.10 0.83 0.00 -1.18 -3.36 103.07 100.91 2dxc h GLY 14 Ca 0.11 -0.35 -0.18 0.00 0.00 0.00 0.00 47.33 46.91 2dxc h GLY 14 CO -0.02 0.31 -0.55 -0.84 0.00 0.00 0.00 176.54 175.44 2dxc h THR 15 N 0.03 1.29 0.00 4.70 2.02 -0.12 -3.14 112.91 117.69 2dxc h THR 15 Ca -0.12 -1.74 -0.00 0.00 0.77 0.00 0.00 66.41 65.31 2dxc h THR 15 Cb 1.90 1.73 -0.00 0.00 -1.74 0.00 0.00 68.15 70.04 2dxc h THR 15 CO 0.15 0.56 -0.01 -0.37 0.37 0.00 0.00 175.52 176.22 2dxc h VAL 16 N 0.57 0.13 -0.09 3.16 -1.51 -1.39 -1.42 116.25 115.69 2dxc h VAL 16 Ca 0.00 -0.09 -0.04 0.00 -1.23 0.00 0.00 66.70 65.34 2dxc h VAL 16 Cb 1.16 1.08 -0.01 0.00 -2.13 0.00 0.00 31.29 31.39 2dxc h VAL 16 CO 0.12 0.01 -0.14 0.00 -1.23 0.00 0.00 177.57 176.33 2dxc h ALA 17 N 1.99 1.60 0.00 5.19 0.00 -1.69 -1.56 119.26 124.78 2dxc h ALA 17 Ca -0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2dxc h ALA 17 Cb 0.08 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2dxc h ALA 17 CO 0.00 0.29 -0.13 -0.07 0.00 0.00 0.00 179.25 179.34 2dxc h LEU 18 N 0.14 0.00 -1.82 0.00 3.38 -1.42 -2.56 115.31 113.03 2dxc h LEU 18 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2dxc h LEU 18 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2dxc h LEU 18 CO 0.02 0.13 0.00 0.23 0.09 0.00 0.00 178.44 178.91 2dxc n MET 19 N -3.88 2.19 -1.69 1.13 2.81 -0.60 -4.95 117.12 112.14 2dxc n MET 19 Ca -0.02 -1.80 -0.50 0.00 -1.81 0.00 0.00 57.70 53.57 2dxc n MET 19 Cb 0.23 -1.46 -0.05 0.00 -0.71 0.00 0.00 33.22 31.23 2dxc n MET 19 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 2dxc n GLN 20 N 1.01 1.96 -1.82 0.03 -0.06 -0.97 -4.90 117.38 112.63 2dxc n GLN 20 Ca 0.18 0.72 -0.37 0.00 -2.00 0.00 0.00 57.00 55.53 2dxc n GLN 20 Cb 0.49 -2.53 0.05 0.00 -4.06 0.00 0.00 30.24 24.19 2dxc n GLN 20 CO 0.00 0.00 0.00 -2.14 -0.20 0.00 0.00 177.06 174.72 2dxc s PRO 21 N 3.85 2.88 0.15 3.69 0.02 -1.26 -5.03 135.00 139.29 2dxc s PRO 21 Ca 0.93 2.08 -0.24 0.00 0.02 0.00 0.00 61.00 63.79 2dxc s PRO 21 Cb -0.77 -2.03 0.07 0.00 0.02 0.00 0.00 34.50 31.79 2dxc s PRO 21 CO 0.54 -1.35 0.70 0.00 -0.33 0.00 0.00 177.00 176.57 2dxc s ALA 22 N -1.40 -1.59 -0.53 -1.55 0.00 -1.26 -5.09 121.76 110.35 2dxc s ALA 22 Ca 0.77 0.44 -0.16 0.00 0.00 0.00 0.00 51.96 53.01 2dxc s ALA 22 Cb -0.37 0.77 0.11 0.00 0.00 0.00 0.00 23.12 23.63 2dxc s ALA 22 CO 0.41 -0.82 0.51 -0.51 0.00 0.00 0.00 175.76 175.36 2dxc s LEU 23 N -2.74 5.92 -0.54 0.00 1.43 -1.26 -5.01 118.68 116.48 2dxc s LEU 23 Ca 0.04 -1.62 -0.18 0.00 -1.03 0.00 0.00 54.13 51.34 2dxc s LEU 23 Cb -0.02 -2.23 0.08 0.00 0.03 0.00 0.00 46.19 44.06 2dxc s LEU 23 CO -0.08 -0.86 0.62 -2.28 0.23 0.00 0.00 176.35 173.98 2dxc s HIS 24 N 1.80 3.07 -0.52 0.29 2.46 -1.26 -5.02 115.29 116.10 2dxc s HIS 24 Ca 0.05 -0.82 -0.16 0.00 0.47 0.00 0.00 55.06 54.60 2dxc s HIS 24 Cb -0.28 -3.70 0.12 0.00 -0.13 0.00 0.00 32.58 28.59 2dxc s HIS 24 CO 0.04 -1.11 0.47 -1.14 -2.47 0.00 0.00 174.74 170.54 2dxc s GLN 25 N 2.43 2.97 0.39 2.88 0.74 -1.26 -5.06 119.66 122.75 2dxc s GLN 25 Ca 0.11 -1.64 -0.27 0.00 0.05 0.00 0.00 55.36 53.62 2dxc s GLN 25 Cb -0.23 -4.25 -0.09 0.00 1.10 0.00 0.00 33.01 29.54 2dxc s GLN 25 CO 0.08 -1.26 1.31 -0.65 -0.55 0.00 0.00 175.29 174.22 2dxc s GLN 26 N 1.60 4.06 -0.19 1.67 -0.21 -1.26 -5.00 119.66 120.32 2dxc s GLN 26 Ca 0.03 2.19 -0.02 0.00 0.02 0.00 0.00 55.36 57.58 2dxc s GLN 26 Cb -0.29 -2.84 -0.01 0.00 1.00 0.00 0.00 33.01 30.88 2dxc s GLN 26 CO 0.04 -0.42 -0.09 0.95 -2.12 0.00 0.00 175.29 173.65 2dxc s THR 27 N -1.23 3.10 -0.64 -0.19 -4.23 -1.26 -5.04 115.64 106.14 2dxc s THR 27 Ca 0.55 -0.60 0.05 0.00 -1.18 0.00 0.00 61.69 60.51 2dxc s THR 27 Cb -0.39 -2.37 0.20 0.00 1.34 0.00 0.00 72.50 71.27 2dxc s THR 27 CO 0.50 0.46 0.55 1.41 -0.54 0.00 0.00 174.62 177.01 2dxc n HIS 28 N 4.49 2.74 -3.63 3.99 8.25 -1.26 -4.91 115.22 124.89 2dxc n HIS 28 Ca -0.19 -4.13 -0.28 0.00 -0.26 0.00 0.00 57.72 52.86 2dxc n HIS 28 Cb 0.51 -0.50 0.04 0.00 1.12 0.00 0.00 29.99 31.16 2dxc n HIS 28 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dxc n ALA 29 N 1.72 -2.57 -1.18 -1.41 0.00 -1.26 -4.92 120.51 110.89 2dxc n ALA 29 Ca 0.24 -0.22 -0.33 0.00 0.00 0.00 0.00 53.44 53.13 2dxc n ALA 29 Cb 0.39 -3.75 0.11 0.00 0.00 0.00 0.00 19.45 16.20 2dxc n ALA 29 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2dxc s PRO 30 N -5.64 1.88 0.72 0.00 0.04 -1.26 -4.99 135.00 125.75 2dxc s PRO 30 Ca 0.41 1.62 -0.14 0.00 0.04 0.00 0.00 61.00 62.93 2dxc s PRO 30 Cb -0.14 -1.82 0.03 0.00 0.04 0.00 0.00 34.50 32.61 2dxc s PRO 30 CO 0.85 -2.00 1.13 0.00 0.04 0.00 0.00 177.00 177.02 2dxc s ALA 31 N -2.28 2.27 0.55 8.56 0.00 -1.26 -4.88 121.76 124.71 2dxc s ALA 31 Ca 0.70 0.57 0.27 0.00 0.00 0.00 0.00 51.96 53.51 2dxc s ALA 31 Cb -0.26 -3.36 1.45 0.00 0.00 0.00 0.00 23.12 20.96 2dxc s ALA 31 CO 0.50 -1.62 1.99 -1.35 0.00 0.00 0.00 175.76 175.27 2dxc h PRO 32 N -0.41 0.00 0.00 0.00 0.11 -1.96 0.13 132.00 129.87 2dxc h PRO 32 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2dxc h PRO 32 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2dxc h PRO 32 CO 0.52 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.56 2dxc n THR 33 N -4.19 0.75 0.99 -1.15 -2.24 -1.26 -1.99 114.28 105.19 2dxc n THR 33 Ca 0.09 0.19 0.12 0.00 -2.27 0.00 0.00 64.05 62.18 2dxc n THR 33 Cb 0.60 -0.92 0.09 0.00 -2.10 0.00 0.00 70.33 68.00 2dxc n THR 33 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2dxc n GLU 34 N -1.40 2.23 -3.64 -0.78 -0.58 0.45 -4.86 120.64 112.06 2dxc n GLU 34 Ca 0.06 -1.86 -0.39 0.00 -0.42 0.00 0.00 57.16 54.55 2dxc n GLU 34 Cb 0.16 -1.46 -0.12 0.00 -0.57 0.00 0.00 31.44 29.45 2dxc n GLU 34 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2dxc s ILE 35 N -2.02 4.57 0.62 -3.67 -1.09 -0.84 -5.01 121.20 113.75 2dxc s ILE 35 Ca 0.27 -0.55 -0.04 0.00 -2.23 0.00 0.00 60.65 58.10 2dxc s ILE 35 Cb 0.20 -3.39 0.04 0.00 -1.58 0.00 0.00 42.46 37.72 2dxc s ILE 35 CO 0.32 -0.02 0.89 0.42 -1.23 0.00 0.00 174.94 175.32 2dxc s THR 36 N 1.59 2.82 0.32 2.92 -4.23 -1.26 -4.87 115.64 112.94 2dxc s THR 36 Ca 0.04 -0.34 0.00 0.00 -1.18 0.00 0.00 61.69 60.21 2dxc s THR 36 Cb -0.18 -3.14 0.23 0.00 1.34 0.00 0.00 72.50 70.75 2dxc s THR 36 CO 0.06 -0.13 1.94 -0.74 -0.54 0.00 0.00 174.62 175.22 2dxc h HIS 37 N -0.24 0.86 -0.28 3.99 2.76 -1.98 0.84 115.15 121.10 2dxc h HIS 37 Ca -0.44 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 57.73 2dxc h HIS 37 Cb 1.29 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 29.95 2dxc h HIS 37 CO 0.38 0.60 0.15 1.15 -1.30 0.00 0.00 177.93 178.91 2dxc h THR 38 N 0.89 1.00 -0.47 6.26 2.02 -2.00 -0.42 112.91 120.20 2dxc h THR 38 Ca 0.23 -0.11 -0.13 0.00 0.77 0.00 0.00 66.41 67.17 2dxc h THR 38 Cb 0.02 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 2dxc h THR 38 CO -0.04 0.06 -0.23 -0.07 0.37 0.00 0.00 175.52 175.61 2dxc h LEU 39 N 0.31 0.99 -0.34 2.58 3.38 -1.78 -2.13 115.31 118.31 2dxc h LEU 39 Ca 0.12 -0.38 0.04 0.00 0.09 0.00 0.00 57.88 57.75 2dxc h LEU 39 Cb 0.03 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 2dxc h LEU 39 CO -0.07 1.17 0.10 0.15 0.09 0.00 0.00 178.44 179.88 2dxc h PHE 40 N 0.83 0.18 -0.59 1.13 3.57 -0.44 0.17 116.94 121.79 2dxc h PHE 40 Ca 0.11 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 2dxc h PHE 40 Cb 0.80 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 2dxc h PHE 40 CO 0.05 0.07 0.08 -0.09 -2.23 0.00 0.00 178.31 176.18 2dxc h ARG 41 N 0.24 0.97 -0.40 1.11 2.43 -0.99 -1.18 114.38 116.55 2dxc h ARG 41 Ca 0.16 -0.25 -0.12 0.00 -0.81 0.00 0.00 59.98 58.95 2dxc h ARG 41 Cb 0.15 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 2dxc h ARG 41 CO -0.18 0.91 -0.24 0.00 -1.51 0.00 0.00 179.97 178.95 2dxc h ALA 42 N 1.17 0.81 -0.06 2.80 0.00 -0.78 -1.93 119.26 121.27 2dxc h ALA 42 Ca 0.18 -0.38 -0.20 0.00 0.00 0.00 0.00 54.91 54.51 2dxc h ALA 42 Cb 0.43 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2dxc h ALA 42 CO 0.01 0.65 -0.79 1.88 0.00 0.00 0.00 179.25 180.99 2dxc h TYR 43 N 0.71 0.62 -0.46 0.00 0.05 -0.49 -3.20 116.97 114.20 2dxc h TYR 43 Ca 0.09 -0.29 0.00 0.00 0.05 0.00 0.00 58.73 58.58 2dxc h TYR 43 Cb 0.77 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.42 2dxc h TYR 43 CO 0.04 1.07 0.00 0.25 -1.05 0.00 0.00 178.16 178.47 2dxc n THR 44 N -3.82 0.61 -0.58 -2.88 -2.24 -0.46 -4.95 114.28 99.96 2dxc n THR 44 Ca -0.05 -0.63 -0.30 0.00 -2.27 0.00 0.00 64.05 60.79 2dxc n THR 44 Cb 0.75 0.37 0.21 0.00 -2.10 0.00 0.00 70.33 69.56 2dxc n THR 44 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2dxc n ARG 45 N 0.92 -1.56 -3.36 -0.78 1.85 -0.73 -4.96 116.66 108.04 2dxc n ARG 45 Ca 0.17 -0.41 -0.42 0.00 -1.00 0.00 0.00 57.85 56.19 2dxc n ARG 45 Cb 0.42 -2.21 -0.09 0.00 -1.05 0.00 0.00 32.46 29.53 2dxc n ARG 45 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2dxc s VAL 46 N -2.48 5.12 0.44 8.89 1.01 -1.26 -4.97 120.40 127.15 2dxc s VAL 46 Ca 0.67 -0.09 0.30 0.00 0.00 0.00 0.00 61.98 62.85 2dxc s VAL 46 Cb -0.24 -3.92 0.49 0.00 0.00 0.00 0.00 36.38 32.71 2dxc s VAL 46 CO 0.63 -0.24 1.63 -0.65 0.00 0.00 0.00 175.10 176.47 2dxc h PRO 47 N 8.57 0.09 0.00 2.72 0.11 -1.83 -1.75 132.00 139.92 2dxc h PRO 47 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2dxc h PRO 47 Cb 1.13 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2dxc h PRO 47 CO 0.74 0.06 0.00 -2.39 -0.21 0.00 0.00 178.00 176.20 2dxc n HIS 48 N -4.67 0.36 -2.54 0.65 1.44 -1.16 -4.46 115.22 104.83 2dxc n HIS 48 Ca 0.37 0.12 -0.43 0.00 -2.01 0.00 0.00 57.72 55.77 2dxc n HIS 48 Cb 1.42 -0.69 0.00 0.00 0.12 0.00 0.00 29.99 30.84 2dxc n HIS 48 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2dxc n ASP 49 N -1.81 4.90 -0.38 4.39 2.03 -0.66 -4.70 116.55 120.32 2dxc n ASP 49 Ca 0.05 -2.96 0.09 0.00 0.52 0.00 0.00 54.79 52.49 2dxc n ASP 49 Cb 0.29 -1.63 -0.01 0.00 -0.72 0.00 0.00 41.12 39.05 2dxc n ASP 49 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2dxc n VAL 50 N 5.13 0.00 -1.67 5.18 0.24 -1.26 -4.98 118.33 120.98 2dxc n VAL 50 Ca 0.44 -0.31 -0.47 0.00 -2.04 0.00 0.00 64.34 61.96 2dxc n VAL 50 Cb 0.42 1.20 -0.05 0.00 -1.47 0.00 0.00 33.84 33.95 2dxc n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dxc n GLY 51 N 1.22 1.13 0.47 7.63 0.00 -1.26 -1.82 105.19 112.56 2dxc n GLY 51 Ca 0.07 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.80 2dxc n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dxc n GLY 52 N 3.56 0.97 3.75 -0.02 0.00 -1.26 -5.05 105.19 107.14 2dxc n GLY 52 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2dxc n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dxc s GLU 53 N -0.85 4.52 0.34 1.61 2.02 -0.75 -4.98 118.70 120.60 2dxc s GLU 53 Ca 0.00 1.94 -0.28 0.00 0.02 0.00 0.00 54.97 56.65 2dxc s GLU 53 Cb 0.00 -3.17 -0.10 0.00 0.10 0.00 0.00 34.13 30.96 2dxc s GLU 53 CO 0.00 0.01 1.29 0.00 0.02 0.00 0.00 175.26 176.57 2dxc s ALA 54 N -0.79 3.46 0.22 5.21 0.00 -1.26 -5.02 121.76 123.59 2dxc s ALA 54 Ca 0.49 1.22 -0.14 0.00 0.00 0.00 0.00 51.96 53.53 2dxc s ALA 54 Cb -0.34 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.32 2dxc s ALA 54 CO 0.43 -0.62 0.48 0.34 0.00 0.00 0.00 175.76 176.38 2dxc s ASP 55 N -0.56 -0.12 0.48 0.00 -1.08 -1.26 -5.18 116.67 108.94 2dxc s ASP 55 Ca 0.50 -0.79 0.04 0.00 -0.52 0.00 0.00 52.55 51.77 2dxc s ASP 55 Cb -0.39 0.57 0.02 0.00 -1.46 0.00 0.00 42.92 41.66 2dxc s ASP 55 CO 0.51 -1.10 0.67 0.68 0.52 0.00 0.00 175.17 176.46 2dxc s VAL 56 N -3.97 3.04 0.20 1.11 -7.23 -1.26 -5.07 120.40 107.22 2dxc s VAL 56 Ca 0.18 -0.78 -0.30 0.00 -1.81 0.00 0.00 61.98 59.27 2dxc s VAL 56 Cb -0.01 -3.09 -0.08 0.00 0.56 0.00 0.00 36.38 33.77 2dxc s VAL 56 CO 0.05 -0.05 0.99 -2.84 -0.31 0.00 0.00 175.10 172.94 2dxc s PRO 57 N -4.56 4.75 0.04 4.82 0.02 -1.26 -5.04 135.00 133.76 2dxc s PRO 57 Ca 0.55 1.55 0.03 0.00 0.02 0.00 0.00 61.00 63.15 2dxc s PRO 57 Cb -0.10 -3.30 -0.02 0.00 0.02 0.00 0.00 34.50 31.10 2dxc s PRO 57 CO 0.36 0.32 -0.10 0.96 -0.33 0.00 0.00 177.00 178.22 2dxc s ILE 58 N -0.68 0.75 -0.70 2.83 -4.36 -1.26 -5.08 121.20 112.70 2dxc s ILE 58 Ca 0.44 -0.92 -0.27 0.00 -0.26 0.00 0.00 60.65 59.65 2dxc s ILE 58 Cb -0.26 -0.73 0.02 0.00 1.25 0.00 0.00 42.46 42.73 2dxc s ILE 58 CO 0.33 -0.16 1.45 -0.70 0.24 0.00 0.00 174.94 176.10 2dxc s GLU 59 N -1.19 3.03 0.36 0.37 2.12 -1.26 -4.96 118.70 117.17 2dxc s GLU 59 Ca -0.03 0.00 -0.28 0.00 0.36 0.00 0.00 54.97 55.02 2dxc s GLU 59 Cb -0.08 -4.24 -0.12 0.00 0.26 0.00 0.00 34.13 29.96 2dxc s GLU 59 CO 0.01 -2.31 1.43 0.66 -0.54 0.00 0.00 175.26 174.51 2dxc n TYR 60 N 10.34 2.76 -4.33 5.30 4.01 -1.26 -5.02 117.16 128.96 2dxc n TYR 60 Ca 0.08 0.47 -0.17 0.00 -0.16 0.00 0.00 57.90 58.11 2dxc n TYR 60 Cb 0.50 -2.50 -0.10 0.00 -0.31 0.00 0.00 39.34 36.93 2dxc n TYR 60 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 2dxc s HIS 61 N -1.03 1.60 0.33 -0.72 -3.43 -1.26 -5.15 115.29 105.63 2dxc s HIS 61 Ca 0.55 -0.76 0.01 0.00 -0.80 0.00 0.00 55.06 54.05 2dxc s HIS 61 Cb -0.51 -0.86 -0.03 0.00 -1.43 0.00 0.00 32.58 29.75 2dxc s HIS 61 CO 0.62 0.14 0.52 -1.21 -2.00 0.00 0.00 174.74 172.81 2dxc s GLU 62 N -3.76 3.48 -0.04 -0.38 0.41 -1.26 -5.10 118.70 112.05 2dxc s GLU 62 Ca 0.25 -0.39 0.01 0.00 -0.41 0.00 0.00 54.97 54.43 2dxc s GLU 62 Cb 0.03 -2.70 0.02 0.00 -1.78 0.00 0.00 34.13 29.71 2dxc s GLU 62 CO 0.07 0.20 -0.03 0.21 -0.49 0.00 0.00 175.26 175.21 2dxc s LYS 63 N -4.23 0.64 0.33 1.61 2.20 -1.26 -5.12 119.74 113.91 2dxc s LYS 63 Ca 0.39 -0.06 -0.29 0.00 -0.36 0.00 0.00 55.97 55.66 2dxc s LYS 63 Cb -0.10 -0.69 -0.11 0.00 -1.51 0.00 0.00 37.83 35.43 2dxc s LYS 63 CO 0.35 -0.08 1.42 -2.00 -0.36 0.00 0.00 175.35 174.68 2dxc s GLU 64 N 0.86 4.23 0.11 4.03 2.12 -1.26 -4.96 118.70 123.83 2dxc s GLU 64 Ca -0.11 2.39 -0.30 0.00 0.36 0.00 0.00 54.97 57.32 2dxc s GLU 64 Cb -0.13 -3.04 -0.06 0.00 0.26 0.00 0.00 34.13 31.16 2dxc s GLU 64 CO -0.00 -0.39 1.05 -2.00 -0.54 0.00 0.00 175.26 173.38 2dxc s GLU 65 N -1.54 4.60 0.31 4.30 2.12 -1.26 -5.04 118.70 122.18 2dxc s GLU 65 Ca 0.53 1.60 -0.19 0.00 0.36 0.00 0.00 54.97 57.27 2dxc s GLU 65 Cb -0.43 -3.35 -0.09 0.00 0.26 0.00 0.00 34.13 30.52 2dxc s GLU 65 CO 0.55 0.05 0.80 -1.21 -0.54 0.00 0.00 175.26 174.91 2dxc s GLU 66 N 0.17 4.21 0.22 4.30 0.41 -1.26 -4.96 118.70 121.79 2dxc s GLU 66 Ca 0.50 0.92 -0.08 0.00 -0.41 0.00 0.00 54.97 55.90 2dxc s GLU 66 Cb -0.26 -2.58 0.27 0.00 -1.78 0.00 0.00 34.13 29.78 2dxc s GLU 66 CO 0.31 0.22 1.84 0.82 -0.49 0.00 0.00 175.26 177.96 2dxc h ILE 67 N 2.30 1.03 0.00 -1.63 2.04 -2.00 -1.08 117.51 118.17 2dxc h ILE 67 Ca -0.48 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.05 2dxc h ILE 67 Cb 1.18 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.36 2dxc h ILE 67 CO 0.64 0.16 -0.15 4.11 0.00 0.00 0.00 178.15 182.91 2dxc h TRP 68 N 0.86 0.00 -0.19 1.37 5.08 -1.99 -1.61 115.95 119.47 2dxc h TRP 68 Ca 0.33 0.00 -0.15 0.00 1.08 0.00 0.00 58.89 60.15 2dxc h TRP 68 Cb 0.14 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.30 2dxc h TRP 68 CO -0.05 0.15 -0.48 0.93 -1.28 0.00 0.00 178.44 177.71 2dxc h GLU 69 N 0.00 0.67 -0.70 0.12 5.08 -1.60 -0.52 114.58 117.63 2dxc h GLU 69 Ca -0.00 -0.46 -0.02 0.00 -1.00 0.00 0.00 59.36 57.88 2dxc h GLU 69 Cb 0.37 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 2dxc h GLU 69 CO 0.02 1.08 0.35 1.25 -1.00 0.00 0.00 179.01 180.71 2dxc h LEU 70 N 0.36 0.91 -0.91 1.33 5.85 -0.94 -1.24 115.31 120.66 2dxc h LEU 70 Ca -0.01 -0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.49 2dxc h LEU 70 Cb 1.09 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 2dxc h LEU 70 CO 0.10 0.78 -0.24 0.78 -0.34 0.00 0.00 178.44 179.52 2dxc h ASN 71 N 0.97 0.52 -0.36 1.25 2.35 -1.22 -2.15 115.58 116.95 2dxc h ASN 71 Ca 0.24 -0.18 -0.08 0.00 -0.55 0.00 0.00 56.30 55.73 2dxc h ASN 71 Cb 0.10 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 2dxc h ASN 71 CO -0.03 0.76 -0.09 0.74 -1.65 0.00 0.00 177.43 177.16 2dxc h THR 72 N 0.46 1.28 -0.34 2.81 2.02 -0.72 -0.62 112.91 117.79 2dxc h THR 72 Ca 0.07 -1.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.08 2dxc h THR 72 Cb 0.67 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 2dxc h THR 72 CO 0.05 0.38 0.20 0.15 0.37 0.00 0.00 175.52 176.67 2dxc h PHE 73 N 0.49 0.45 -0.74 3.16 3.57 -1.12 -0.59 116.94 122.15 2dxc h PHE 73 Ca 0.09 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 2dxc h PHE 73 Cb 0.60 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.16 2dxc h PHE 73 CO 0.05 0.33 0.37 0.00 -2.23 0.00 0.00 178.31 176.83 2dxc h ALA 74 N 1.08 0.95 -0.38 2.41 0.00 -1.30 -1.67 119.26 120.35 2dxc h ALA 74 Ca 0.12 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2dxc h ALA 74 Cb 0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2dxc h ALA 74 CO -0.02 0.50 0.21 1.15 0.00 0.00 0.00 179.25 181.09 2dxc h THR 75 N 1.03 1.15 -0.62 0.00 2.02 -0.68 0.81 112.91 116.62 2dxc h THR 75 Ca 0.26 -0.38 -0.05 0.00 0.77 0.00 0.00 66.41 67.00 2dxc h THR 75 Cb 0.09 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 2dxc h THR 75 CO -0.03 0.15 0.18 0.00 0.37 0.00 0.00 175.52 176.19 2dxc h GLU 77 N 0.90 0.45 -0.50 0.00 4.39 -1.17 -2.53 114.58 116.11 2dxc h GLU 77 Ca 0.20 -0.29 -0.11 0.00 0.34 0.00 0.00 59.36 59.51 2dxc h GLU 77 Cb 0.31 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 2dxc h GLU 77 CO -0.00 0.89 -0.11 0.00 -1.16 0.00 0.00 179.01 178.63 2dxc h LEU 79 N 0.84 0.56 0.01 0.00 3.38 -0.90 0.53 115.31 119.72 2dxc h LEU 79 Ca 0.13 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 2dxc h LEU 79 Cb 0.64 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.26 2dxc h LEU 79 CO 0.04 0.61 -0.56 0.00 0.09 0.00 0.00 178.44 178.63 2dxc h ALA 80 N 1.46 0.06 -0.63 1.53 0.00 -1.06 0.17 119.26 120.80 2dxc h ALA 80 Ca 0.12 -0.56 0.09 0.00 0.00 0.00 0.00 54.91 54.56 2dxc h ALA 80 Cb 0.33 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 2dxc h ALA 80 CO 0.01 0.31 0.26 2.35 0.00 0.00 0.00 179.25 182.19 2dxc h TRP 81 N -0.18 0.47 -0.20 0.00 7.01 -0.19 -1.37 115.95 121.49 2dxc h TRP 81 Ca -0.07 0.03 0.00 0.00 2.11 0.00 0.00 58.89 60.96 2dxc h TRP 81 Cb 1.28 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 28.23 2dxc h TRP 81 CO 0.15 0.15 0.00 0.54 -2.79 0.00 0.00 178.44 176.49 2dxc n ARG 82 N -4.95 1.74 -0.98 2.65 5.12 0.16 -4.92 116.66 115.47 2dxc n ARG 82 Ca 0.09 -0.84 0.00 0.00 -1.93 0.00 0.00 57.85 55.17 2dxc n ARG 82 Cb 0.26 -1.37 0.00 0.00 -1.16 0.00 0.00 32.46 30.19 2dxc n ARG 82 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dxc n GLY 83 N 0.61 0.50 0.17 -0.13 0.00 -0.52 -4.92 105.19 100.90 2dxc n GLY 83 Ca 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 2dxc n GLY 83 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2dxc h VAL 84 N 0.00 1.36 -2.55 1.61 2.07 -0.87 -3.47 116.25 114.40 2dxc h VAL 84 Ca 0.00 -1.78 0.12 0.00 0.82 0.00 0.00 66.70 65.87 2dxc h VAL 84 Cb 0.00 1.91 -0.09 0.00 -1.52 0.00 0.00 31.29 31.59 2dxc h VAL 84 CO 0.00 0.52 0.40 -1.66 0.02 0.00 0.00 177.57 176.85 2dxc s TRP 85 N -3.89 -0.22 0.30 1.57 -2.14 -1.23 -5.01 118.94 108.32 2dxc s TRP 85 Ca -0.03 -0.08 0.06 0.00 2.66 0.00 0.00 56.10 58.71 2dxc s TRP 85 Cb 0.13 0.63 -0.02 0.00 -3.10 0.00 0.00 33.47 31.11 2dxc s TRP 85 CO 0.77 -0.87 0.41 0.95 -2.66 0.00 0.00 176.95 175.54 2dxc s THR 86 N -3.45 4.45 0.37 0.66 -4.23 -1.26 -4.09 115.64 108.09 2dxc s THR 86 Ca 0.10 -1.03 0.04 0.00 -1.18 0.00 0.00 61.69 59.61 2dxc s THR 86 Cb -0.02 -3.54 0.26 0.00 1.34 0.00 0.00 72.50 70.53 2dxc s THR 86 CO -0.00 -0.22 2.02 0.00 -0.54 0.00 0.00 174.62 175.88 2dxc h ALA 87 N 1.03 1.59 -0.61 3.99 0.00 -1.96 -2.19 119.26 121.12 2dxc h ALA 87 Ca -0.48 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 2dxc h ALA 87 Cb 1.25 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2dxc h ALA 87 CO 0.56 0.37 0.18 0.93 0.00 0.00 0.00 179.25 181.29 2dxc h GLU 88 N 0.75 0.93 -0.63 0.00 4.39 -1.99 0.16 114.58 118.18 2dxc h GLU 88 Ca 0.20 -0.18 -0.06 0.00 0.34 0.00 0.00 59.36 59.66 2dxc h GLU 88 Cb -0.07 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.41 2dxc h GLU 88 CO -0.04 0.80 0.16 0.93 -1.16 0.00 0.00 179.01 179.70 2dxc h GLU 89 N 0.89 0.98 -0.08 2.33 5.08 -1.80 -1.51 114.58 120.48 2dxc h GLU 89 Ca 0.20 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2dxc h GLU 89 Cb 0.28 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 2dxc h GLU 89 CO -0.01 0.87 0.03 -0.09 -1.00 0.00 0.00 179.01 178.81 2dxc h ARG 90 N 0.94 0.11 -0.30 2.33 2.43 -0.96 -1.81 114.38 117.13 2dxc h ARG 90 Ca 0.20 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.40 2dxc h ARG 90 Cb 0.32 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.81 2dxc h ARG 90 CO -0.00 0.25 0.04 0.00 -1.51 0.00 0.00 179.97 178.75 2dxc h ARG 91 N -0.04 0.14 -0.56 0.20 3.08 -0.76 0.55 114.38 116.99 2dxc h ARG 91 Ca 0.03 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.10 2dxc h ARG 91 Cb 0.18 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.16 2dxc h ARG 91 CO -0.00 0.09 0.32 -0.09 -1.07 0.00 0.00 179.97 179.23 2dxc h ARG 92 N 0.15 0.61 -0.15 0.04 1.12 -1.19 0.33 114.38 115.29 2dxc h ARG 92 Ca 0.14 -0.04 -0.17 0.00 -1.11 0.00 0.00 59.98 58.80 2dxc h ARG 92 Cb 0.16 -0.14 0.01 0.00 -0.01 0.00 0.00 29.97 29.99 2dxc h ARG 92 CO -0.20 0.41 -0.57 0.87 -3.11 0.00 0.00 179.97 177.37 2dxc h LYS 93 N 0.63 0.65 0.00 0.20 1.57 -0.86 -1.04 116.57 117.74 2dxc h LYS 93 Ca 0.23 -0.50 -0.14 0.00 -1.87 0.00 0.00 60.65 58.38 2dxc h LYS 93 Cb 0.07 0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.48 2dxc h LYS 93 CO -0.12 1.12 -0.54 0.37 -0.57 0.00 0.00 179.45 179.70 2dxc h GLN 94 N 0.32 0.36 -0.01 3.15 4.15 0.29 -3.13 115.11 120.24 2dxc h GLN 94 Ca -0.03 -0.39 0.00 0.00 0.77 0.00 0.00 58.65 59.00 2dxc h GLN 94 Cb 1.20 0.11 0.00 0.00 0.21 0.00 0.00 27.48 29.00 2dxc h GLN 94 CO 0.12 1.08 -0.55 0.09 -1.93 0.00 0.00 178.83 177.64 2dxc n ASN 95 N -4.27 1.75 0.07 -0.69 3.02 0.12 -4.53 115.26 110.72 2dxc n ASN 95 Ca -0.10 -1.35 0.00 0.00 -0.03 0.00 0.00 54.58 53.09 2dxc n ASN 95 Cb 0.65 0.53 0.00 0.00 -0.61 0.00 0.00 39.78 40.35 2dxc n ASN 95 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dxc h ASP 97 N 0.00 0.00 0.27 0.00 3.32 -1.20 -1.56 116.42 117.25 2dxc h ASP 97 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2dxc h ASP 97 Cb 0.17 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 2dxc h ASP 97 CO 0.00 0.00 -0.01 -0.37 -1.72 0.00 0.00 179.24 177.14 2dxc h VAL 98 N 0.00 0.06 0.00 -1.35 -1.51 -1.78 -3.48 116.25 108.18 2dxc h VAL 98 Ca 0.16 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2dxc h VAL 98 Cb 0.76 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 31.07 2dxc h VAL 98 CO -0.00 0.01 0.00 0.61 -1.23 0.00 0.00 177.57 176.96 2dxc n GLY 99 N -0.79 -1.06 0.29 5.19 0.00 -0.59 -4.38 105.19 103.85 2dxc n GLY 99 Ca -0.02 -1.54 -0.03 0.00 0.00 0.00 0.00 46.02 44.43 2dxc n GLY 99 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2dxc h GLN 100 N 0.00 -0.09 0.40 1.61 5.75 -1.93 -0.98 115.11 119.86 2dxc h GLN 100 Ca 0.00 0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.49 2dxc h GLN 100 Cb 0.00 0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.57 2dxc h GLN 100 CO 0.00 -0.06 -0.19 1.15 -2.65 0.00 0.00 178.83 177.08 2dxc h THR 101 N -0.09 0.61 -0.32 2.39 2.02 -2.00 -2.90 112.91 112.62 2dxc h THR 101 Ca 0.26 -0.01 -0.09 0.00 0.77 0.00 0.00 66.41 67.34 2dxc h THR 101 Cb 0.50 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 2dxc h THR 101 CO -0.64 0.00 -0.19 0.58 0.37 0.00 0.00 175.52 175.64 2dxc h VAL 102 N -0.54 1.26 -1.00 3.16 2.07 -1.75 0.36 116.25 119.81 2dxc h VAL 102 Ca -0.05 -1.21 0.15 0.00 0.82 0.00 0.00 66.70 66.40 2dxc h VAL 102 Cb 0.41 1.22 -0.09 0.00 -1.52 0.00 0.00 31.29 31.31 2dxc h VAL 102 CO 0.09 0.39 0.62 0.22 0.02 0.00 0.00 177.57 178.92 2dxc h TYR 103 N 0.53 1.10 0.00 1.57 3.20 -1.00 -2.24 116.97 120.13 2dxc h TYR 103 Ca 0.08 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.99 2dxc h TYR 103 Cb 0.63 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.55 2dxc h TYR 103 CO 0.02 0.37 -0.89 1.28 -1.64 0.00 0.00 178.16 177.30 2dxc n LEU 104 N -4.66 0.31 0.03 2.82 4.77 -1.11 -4.61 117.00 114.55 2dxc n LEU 104 Ca 0.20 -0.31 -0.04 0.00 -0.03 0.00 0.00 56.01 55.83 2dxc n LEU 104 Cb 0.44 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.43 2dxc n LEU 104 CO 0.25 0.08 -0.19 1.23 -1.33 0.00 0.00 177.39 177.43 2dxc h GLY 105 N 2.35 0.00 -2.81 -0.72 0.00 -0.79 -3.47 103.07 97.62 2dxc h GLY 105 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.89 2dxc h GLY 105 CO 0.00 0.00 -0.35 1.06 0.00 0.00 0.00 176.54 177.25 2dxc s MET 106 N -2.76 3.12 0.58 4.80 -1.94 -0.85 -5.04 119.30 117.20 2dxc s MET 106 Ca -0.02 -1.01 -0.17 0.00 -1.71 0.00 0.00 55.69 52.79 2dxc s MET 106 Cb 0.09 -2.81 -0.04 0.00 2.01 0.00 0.00 34.83 34.07 2dxc s MET 106 CO 0.81 0.09 1.07 -2.14 -0.01 0.00 0.00 175.02 174.84 2dxc s PRO 107 N -4.15 3.32 0.08 2.03 0.02 -1.26 -4.91 135.00 130.13 2dxc s PRO 107 Ca 0.44 1.32 -0.19 0.00 0.02 0.00 0.00 61.00 62.59 2dxc s PRO 107 Cb -0.09 -2.03 -0.06 0.00 0.02 0.00 0.00 34.50 32.34 2dxc s PRO 107 CO 0.31 -0.82 1.31 -0.92 -0.33 0.00 0.00 177.00 176.55 2dxc h TYR 108 N 0.67 -1.02 0.00 6.54 3.20 -1.97 0.12 116.97 124.51 2dxc h TYR 108 Ca -0.48 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.45 2dxc h TYR 108 Cb 1.23 0.49 0.00 0.00 1.54 0.00 0.00 36.73 39.99 2dxc h TYR 108 CO 0.57 -0.26 0.00 1.88 -1.64 0.00 0.00 178.16 178.70 2dxc h TYR 109 N -0.16 0.00 -0.45 -3.82 0.99 -1.99 -2.14 116.97 109.40 2dxc h TYR 109 Ca 0.06 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.70 2dxc h TYR 109 Cb 0.31 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.02 2dxc h TYR 109 CO -0.77 0.00 -0.09 0.78 -0.00 0.00 0.00 178.16 178.08 2dxc h GLY 110 N 1.76 0.85 1.37 3.88 0.00 -1.36 -1.18 103.07 108.40 2dxc h GLY 110 Ca 0.00 -0.63 -0.17 0.00 0.00 0.00 0.00 47.33 46.54 2dxc h GLY 110 CO 0.00 0.58 -0.53 3.21 0.00 0.00 0.00 176.54 179.79 2dxc h ARG 111 N 0.72 0.66 -0.35 4.80 3.08 -0.74 -0.66 114.38 121.89 2dxc h ARG 111 Ca 0.13 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 59.77 2dxc h ARG 111 Cb 0.56 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 2dxc h ARG 111 CO 0.03 1.03 0.23 -1.49 -1.07 0.00 0.00 179.97 178.70 2dxc h TRP 112 N 0.51 0.44 -0.15 3.04 4.06 -1.32 -1.41 115.95 121.12 2dxc h TRP 112 Ca 0.01 0.01 -0.03 0.00 2.06 0.00 0.00 58.89 60.95 2dxc h TRP 112 Cb 1.09 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 29.10 2dxc h TRP 112 CO 0.05 0.28 -0.01 1.25 -3.56 0.00 0.00 178.44 176.46 2dxc h LEU 113 N 0.47 0.27 -0.81 -4.49 5.85 -1.10 -1.20 115.31 114.31 2dxc h LEU 113 Ca 0.13 -0.32 0.05 0.00 0.84 0.00 0.00 57.88 58.58 2dxc h LEU 113 Cb -0.05 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 40.85 2dxc h LEU 113 CO -0.03 0.52 0.50 -0.07 -0.34 0.00 0.00 178.44 179.03 2dxc h LEU 114 N 0.00 0.80 -0.87 2.25 3.38 -1.06 -1.95 115.31 117.87 2dxc h LEU 114 Ca 0.04 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 2dxc h LEU 114 Cb 0.39 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2dxc h LEU 114 CO 0.01 0.53 -0.41 0.74 0.09 0.00 0.00 178.44 179.40 2dxc h THR 115 N 0.94 1.31 -0.73 0.22 2.02 -1.15 -0.23 112.91 115.28 2dxc h THR 115 Ca 0.34 -1.54 -0.06 0.00 0.77 0.00 0.00 66.41 65.93 2dxc h THR 115 Cb 0.11 1.65 -0.03 0.00 -1.74 0.00 0.00 68.15 68.14 2dxc h THR 115 CO -0.15 0.47 0.23 0.00 0.37 0.00 0.00 175.52 176.44 2dxc h ALA 116 N 1.30 0.95 -0.32 6.16 0.00 -0.56 -0.54 119.26 126.26 2dxc h ALA 116 Ca 0.02 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 2dxc h ALA 116 Cb 0.84 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2dxc h ALA 116 CO 0.07 0.63 -0.27 0.00 0.00 0.00 0.00 179.25 179.69 2dxc h ALA 117 N 1.11 0.93 -0.41 0.00 0.00 -0.99 -3.16 119.26 116.75 2dxc h ALA 117 Ca 0.24 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2dxc h ALA 117 Cb 0.30 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2dxc h ALA 117 CO -0.01 0.61 0.17 -0.09 0.00 0.00 0.00 179.25 179.93 2dxc h ARG 118 N 0.56 0.61 -0.51 0.00 9.65 -0.18 -2.91 114.38 121.61 2dxc h ARG 118 Ca 0.07 -0.11 -0.02 0.00 -1.10 0.00 0.00 59.98 58.82 2dxc h ARG 118 Cb 0.75 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.20 2dxc h ARG 118 CO 0.06 0.57 0.22 0.97 2.80 0.00 0.00 179.97 184.58 2dxc h ILE 119 N 0.51 1.18 -0.96 1.20 -0.00 -1.10 0.95 117.51 119.30 2dxc h ILE 119 Ca 0.14 -0.55 0.02 0.00 -0.00 0.00 0.00 64.86 64.46 2dxc h ILE 119 Cb 0.18 0.56 -0.05 0.00 -0.00 0.00 0.00 36.82 37.51 2dxc h ILE 119 CO -0.01 0.22 0.63 -0.07 -0.00 0.00 0.00 178.15 178.92 2dxc h LEU 120 N 0.72 1.09 0.12 2.19 3.38 -1.49 -2.07 115.31 119.25 2dxc h LEU 120 Ca 0.18 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.96 2dxc h LEU 120 Cb 0.12 -0.26 0.02 0.00 0.09 0.00 0.00 40.66 40.63 2dxc h LEU 120 CO -0.02 0.77 -0.72 0.58 0.09 0.00 0.00 178.44 179.14 2dxc h VAL 121 N 1.28 1.54 -0.29 1.22 2.07 -1.26 0.59 116.25 121.39 2dxc h VAL 121 Ca 0.36 -2.51 -0.02 0.00 0.82 0.00 0.00 66.70 65.35 2dxc h VAL 121 Cb -0.10 3.22 -0.02 0.00 -1.52 0.00 0.00 31.29 32.87 2dxc h VAL 121 CO -0.09 0.70 0.08 0.44 0.02 0.00 0.00 177.57 178.72 2dxc h ASP 122 N -0.46 0.37 -0.58 0.57 3.32 -0.80 -1.51 116.42 117.34 2dxc h ASP 122 Ca -0.13 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.88 2dxc h ASP 122 Cb 1.56 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 41.01 2dxc h ASP 122 CO 0.13 0.38 0.00 0.29 -1.72 0.00 0.00 179.24 178.32 2dxc n LYS 123 N -4.38 2.99 -3.05 3.56 5.02 -0.78 -4.96 118.16 116.56 2dxc n LYS 123 Ca 0.01 -2.35 -0.22 0.00 -2.02 0.00 0.00 58.31 53.74 2dxc n LYS 123 Cb 0.16 -1.68 0.02 0.00 -0.02 0.00 0.00 35.03 33.51 2dxc n LYS 123 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2dxc n GLN 124 N 1.07 -4.05 0.17 1.97 6.02 -0.57 -4.86 117.38 117.13 2dxc n GLN 124 Ca 0.21 0.75 0.08 0.00 -0.01 0.00 0.00 57.00 58.04 2dxc n GLN 124 Cb 0.68 -5.54 0.09 0.00 1.02 0.00 0.00 30.24 26.49 2dxc n GLN 124 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 2dxc h PHE 125 N -1.08 0.00 -3.51 1.08 0.04 -1.14 -3.45 116.94 108.89 2dxc h PHE 125 Ca -0.48 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.15 2dxc h PHE 125 Cb 1.33 0.00 -0.20 0.00 2.20 0.00 0.00 35.95 39.28 2dxc h PHE 125 CO 0.59 0.21 -0.47 0.14 -0.60 0.00 0.00 178.31 178.17 2dxc s VAL 126 N -3.12 0.09 0.49 -0.55 -7.23 -0.93 -5.04 120.40 104.11 2dxc s VAL 126 Ca 0.05 -0.73 -0.05 0.00 -1.81 0.00 0.00 61.98 59.44 2dxc s VAL 126 Cb 0.07 -0.51 -0.03 0.00 0.56 0.00 0.00 36.38 36.46 2dxc s VAL 126 CO 0.72 -0.40 0.79 0.42 -0.31 0.00 0.00 175.10 176.32 2dxc s THR 127 N -1.56 4.75 0.37 5.32 -4.23 -1.26 -4.19 115.64 114.84 2dxc s THR 127 Ca -0.13 0.14 0.06 0.00 -1.18 0.00 0.00 61.69 60.57 2dxc s THR 127 Cb -0.07 -3.81 0.20 0.00 1.34 0.00 0.00 72.50 70.16 2dxc s THR 127 CO 0.01 -0.79 1.95 0.25 -0.54 0.00 0.00 174.62 175.50 2dxc h LEU 128 N 0.20 0.45 -0.72 4.79 5.85 -1.96 -1.71 115.31 122.21 2dxc h LEU 128 Ca -0.47 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.19 2dxc h LEU 128 Cb 1.21 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 2dxc h LEU 128 CO 0.61 0.46 0.45 0.74 -0.34 0.00 0.00 178.44 180.36 2dxc h THR 129 N 0.49 1.20 -0.72 1.05 2.02 -1.99 0.86 112.91 115.82 2dxc h THR 129 Ca 0.12 -0.41 -0.04 0.00 0.77 0.00 0.00 66.41 66.84 2dxc h THR 129 Cb 0.19 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 66.75 2dxc h THR 129 CO -0.00 0.20 0.28 -0.33 0.37 0.00 0.00 175.52 176.04 2dxc h GLU 130 N 0.98 1.06 -0.31 6.66 5.08 -1.71 0.78 114.58 127.13 2dxc h GLU 130 Ca 0.26 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 2dxc h GLU 130 Cb -0.06 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 2dxc h GLU 130 CO -0.05 0.87 -0.06 1.25 -1.00 0.00 0.00 179.01 180.01 2dxc h LEU 131 N 1.04 0.59 -0.49 1.33 5.85 -0.81 -0.38 115.31 122.44 2dxc h LEU 131 Ca 0.24 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 2dxc h LEU 131 Cb 0.20 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 2dxc h LEU 131 CO -0.02 0.81 0.24 0.45 -0.34 0.00 0.00 178.44 179.58 2dxc h HIS 132 N 0.36 0.69 -0.61 1.25 3.86 -0.54 -1.28 115.15 118.89 2dxc h HIS 132 Ca 0.08 -0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.20 2dxc h HIS 132 Cb 0.54 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.77 2dxc h HIS 132 CO 0.05 0.54 0.15 -0.91 0.86 0.00 0.00 177.93 178.62 2dxc h ASN 133 N 0.64 0.89 -0.67 2.45 2.35 -0.78 -2.23 115.58 118.24 2dxc h ASN 133 Ca 0.17 -0.17 -0.06 0.00 -0.55 0.00 0.00 56.30 55.68 2dxc h ASN 133 Cb 0.10 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.21 2dxc h ASN 133 CO -0.02 0.86 0.17 0.50 -1.65 0.00 0.00 177.43 177.28 2dxc h LYS 134 N 0.91 1.07 -0.82 0.81 1.63 -0.63 -0.16 116.57 119.38 2dxc h LYS 134 Ca 0.19 -0.25 -0.03 0.00 -0.85 0.00 0.00 60.65 59.71 2dxc h LYS 134 Cb 0.32 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 31.78 2dxc h LYS 134 CO -0.00 0.95 0.39 0.82 -3.45 0.00 0.00 179.45 178.16 2dxc h ILE 135 N 0.99 1.26 -0.58 2.00 1.08 -0.97 -0.58 117.51 120.71 2dxc h ILE 135 Ca 0.21 -0.73 -0.03 0.00 -0.39 0.00 0.00 64.86 63.92 2dxc h ILE 135 Cb 0.36 0.22 -0.03 0.00 -3.07 0.00 0.00 36.82 34.31 2dxc h ILE 135 CO 0.00 0.31 0.24 0.58 -0.69 0.00 0.00 178.15 178.59 2dxc h VAL 136 N 1.16 1.22 -0.40 1.67 2.07 -0.93 -2.22 116.25 118.83 2dxc h VAL 136 Ca 0.28 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 67.13 2dxc h VAL 136 Cb 0.13 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 2dxc h VAL 136 CO -0.03 0.26 0.25 -0.08 0.02 0.00 0.00 177.57 177.99 2dxc h GLU 137 N 0.79 0.50 -0.65 1.57 4.81 -0.32 -1.15 114.58 120.14 2dxc h GLU 137 Ca 0.19 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2dxc h GLU 137 Cb 0.18 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 2dxc h GLU 137 CO -0.02 0.33 0.42 0.52 -0.73 0.00 0.00 179.01 179.54 2dxc h MET 138 N 0.52 0.86 -0.52 1.92 2.86 -0.94 -0.57 114.93 119.05 2dxc h MET 138 Ca 0.15 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 2dxc h MET 138 Cb -0.04 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.41 2dxc h MET 138 CO -0.05 0.57 0.20 0.00 1.06 0.00 0.00 176.91 178.69 2dxc h ARG 139 N 0.88 0.79 -0.22 1.72 3.08 -1.07 -2.31 114.38 117.25 2dxc h ARG 139 Ca 0.24 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 60.06 2dxc h ARG 139 Cb -0.09 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 2dxc h ARG 139 CO -0.05 0.71 -0.17 0.93 -1.07 0.00 0.00 179.97 180.32 2dxc h GLU 140 N 0.71 0.38 -0.54 0.04 5.08 -0.90 0.15 114.58 119.51 2dxc h GLU 140 Ca 0.17 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 2dxc h GLU 140 Cb 0.22 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2dxc h GLU 140 CO -0.01 0.55 0.07 -0.09 -1.00 0.00 0.00 179.01 178.53 2dxc h ARG 141 N 0.35 0.86 -0.09 2.33 2.43 -0.74 0.27 114.38 119.79 2dxc h ARG 141 Ca 0.06 -0.21 -0.14 0.00 -0.81 0.00 0.00 59.98 58.89 2dxc h ARG 141 Cb 0.51 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 29.95 2dxc h ARG 141 CO 0.03 0.81 -0.48 0.28 -1.51 0.00 0.00 179.97 179.11 2dxc h VAL 142 N 0.81 1.38 -0.39 0.20 2.07 -0.89 -1.28 116.25 118.15 2dxc h VAL 142 Ca 0.17 -1.82 -0.06 0.00 0.82 0.00 0.00 66.70 65.80 2dxc h VAL 142 Cb 0.38 2.23 -0.02 0.00 -1.52 0.00 0.00 31.29 32.37 2dxc h VAL 142 CO 0.01 0.54 -0.02 0.00 0.02 0.00 0.00 177.57 178.12 2dxc h ALA 143 N 0.46 1.23 0.00 1.67 0.00 -0.70 -2.41 119.26 119.51 2dxc h ALA 143 Ca -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2dxc h ALA 143 Cb 1.12 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2dxc h ALA 143 CO 0.10 0.51 0.00 -1.13 0.00 0.00 0.00 179.25 178.73 2dxc n SER 144 N -4.24 0.00 0.00 0.00 3.41 0.93 -4.89 113.62 108.84 2dxc n SER 144 Ca 0.02 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2dxc n SER 144 Cb 0.28 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 2dxc n SER 144 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dxc n GLY 145 N 1.03 0.53 0.00 5.00 0.00 -0.91 -4.91 105.19 105.93 2dxc n GLY 145 Ca 0.12 -0.22 0.15 0.00 0.00 0.00 0.00 46.02 46.08 2dxc n GLY 145 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dxc n GLN 146 N -2.90 0.72 -0.08 1.61 6.02 -0.49 -4.41 117.38 117.85 2dxc n GLN 146 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.00 2dxc n GLN 146 Cb 0.00 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 29.76 2dxc n GLN 146 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2dxc n GLY 147 N 1.13 -1.57 2.69 1.08 0.00 -1.17 -4.22 105.19 103.13 2dxc n GLY 147 Ca 0.19 -1.50 -0.20 0.00 0.00 0.00 0.00 46.02 44.51 2dxc n GLY 147 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dxc s LEU 148 N -3.40 0.08 0.00 0.99 2.96 0.13 -4.26 118.68 115.18 2dxc s LEU 148 Ca 0.00 -1.25 0.00 0.00 -0.22 0.00 0.00 54.13 52.66 2dxc s LEU 148 Cb 0.00 0.28 0.00 0.00 0.50 0.00 0.00 46.19 46.97 2dxc s LEU 148 CO 0.00 -0.35 0.00 0.61 -1.32 0.00 0.00 176.35 175.29 2dxc n GLY 149 N 4.84 1.86 0.36 7.98 0.00 -1.26 -1.26 105.19 117.70 2dxc n GLY 149 Ca 0.03 -0.30 0.11 0.00 0.00 0.00 0.00 46.02 45.86 2dxc n GLY 149 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2dxc n GLU 150 N 14.00 1.47 0.06 1.61 0.28 -1.26 -3.81 120.64 132.99 2dxc n GLU 150 Ca 0.00 -0.71 -0.15 0.00 -0.16 0.00 0.00 57.16 56.14 2dxc n GLU 150 Cb 0.00 -1.39 -0.14 0.00 1.43 0.00 0.00 31.44 31.35 2dxc n GLU 150 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 177.13 178.85 2dxc h TYR 151 N 1.49 0.37 -2.54 -1.84 0.05 -1.63 -3.46 116.97 109.42 2dxc h TYR 151 Ca 0.00 -0.27 -0.12 0.00 0.05 0.00 0.00 58.73 58.39 2dxc h TYR 151 Cb 0.32 -0.01 -0.29 0.00 1.01 0.00 0.00 36.73 37.76 2dxc h TYR 151 CO 0.06 1.31 -0.41 -1.17 -1.05 0.00 0.00 178.16 176.90 2dxc s LEU 152 N -6.88 -0.58 0.58 3.88 2.96 -0.89 -4.96 118.68 112.80 2dxc s LEU 152 Ca -0.08 0.86 -0.16 0.00 -0.22 0.00 0.00 54.13 54.53 2dxc s LEU 152 Cb 0.07 1.20 -0.04 0.00 0.50 0.00 0.00 46.19 47.92 2dxc s LEU 152 CO 0.85 -0.24 1.05 -2.16 -1.32 0.00 0.00 176.35 174.53 2dxc s PRO 153 N 2.57 3.42 0.00 0.98 0.04 -1.26 0.19 135.00 140.94 2dxc s PRO 153 Ca -0.00 1.19 0.13 0.00 0.04 0.00 0.00 61.00 62.36 2dxc s PRO 153 Cb -0.12 -2.05 0.78 0.00 0.04 0.00 0.00 34.50 33.15 2dxc s PRO 153 CO -0.12 -0.73 1.20 -0.35 0.04 0.00 0.00 177.00 177.04