#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dxc h ILE 5 N 0.00 1.07 -1.00 -1.33 1.08 -2.05 -2.18 117.51 113.09 2dxc h ILE 5 Ca 0.00 -0.20 0.04 0.00 -0.39 0.00 0.00 64.86 64.31 2dxc h ILE 5 Cb 0.00 1.12 -0.06 0.00 -3.07 0.00 0.00 36.82 34.81 2dxc h ILE 5 CO 0.00 0.06 0.66 0.03 -0.69 0.00 0.00 178.15 178.21 2dxc h ARG 6 N -0.01 1.24 -0.66 2.37 2.47 -2.05 0.09 114.38 117.83 2dxc h ARG 6 Ca 0.02 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 2dxc h ARG 6 Cb 0.07 -0.28 -0.03 0.00 -1.65 0.00 0.00 29.97 28.08 2dxc h ARG 6 CO -0.00 0.82 0.42 0.93 0.56 0.00 0.00 179.97 182.70 2dxc h GLU 7 N 1.28 0.87 -0.23 0.04 5.08 -1.94 -0.78 114.58 118.89 2dxc h GLU 7 Ca 0.40 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.60 2dxc h GLU 7 Cb -0.01 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 2dxc h GLU 7 CO -0.12 0.59 -0.28 1.49 -1.00 0.00 0.00 179.01 179.69 2dxc h GLU 8 N 0.89 0.46 -0.34 2.33 4.81 -0.70 -1.38 114.58 120.65 2dxc h GLU 8 Ca 0.24 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 2dxc h GLU 8 Cb -0.08 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 2dxc h GLU 8 CO -0.05 0.70 0.15 0.28 -0.73 0.00 0.00 179.01 179.36 2dxc h VAL 9 N 0.40 1.17 -0.07 0.32 2.07 -0.31 -0.99 116.25 118.85 2dxc h VAL 9 Ca 0.06 -0.52 -0.13 0.00 0.82 0.00 0.00 66.70 66.93 2dxc h VAL 9 Cb 0.71 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2dxc h VAL 9 CO 0.05 0.19 -0.54 0.45 0.02 0.00 0.00 177.57 177.74 2dxc h HIS 10 N 0.40 0.26 -0.35 1.57 3.86 -0.99 -1.40 115.15 118.50 2dxc h HIS 10 Ca 0.11 -0.09 -0.10 0.00 -1.16 0.00 0.00 60.37 59.13 2dxc h HIS 10 Cb 0.16 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 2dxc h HIS 10 CO -0.01 0.71 -0.21 -0.09 0.86 0.00 0.00 177.93 179.18 2dxc h ARG 11 N 0.16 0.68 0.14 2.45 2.43 -1.08 -2.39 114.38 116.76 2dxc h ARG 11 Ca 0.00 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 58.91 2dxc h ARG 11 Cb 1.01 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 2dxc h ARG 11 CO 0.08 0.84 -0.06 1.25 -1.51 0.00 0.00 179.97 180.56 2dxc h HIS 12 N 0.60 -0.17 -0.80 2.20 2.76 -0.84 -0.14 115.15 118.76 2dxc h HIS 12 Ca 0.09 -0.00 0.14 0.00 -2.20 0.00 0.00 60.37 58.40 2dxc h HIS 12 Cb 0.69 0.06 -0.06 0.00 1.55 0.00 0.00 27.41 29.64 2dxc h HIS 12 CO 0.03 0.11 0.53 -0.07 -1.30 0.00 0.00 177.93 177.23 2dxc h LEU 13 N -0.44 0.50 -0.03 0.26 3.38 -1.17 -1.09 115.31 116.71 2dxc h LEU 13 Ca -0.02 0.03 -0.26 0.00 0.09 0.00 0.00 57.88 57.72 2dxc h LEU 13 Cb 0.35 -0.07 0.02 0.00 0.09 0.00 0.00 40.66 41.05 2dxc h LEU 13 CO 0.03 0.26 -1.06 1.23 0.09 0.00 0.00 178.44 178.99 2dxc h GLY 14 N 0.53 0.63 0.98 0.83 0.00 -1.22 -3.35 103.07 101.47 2dxc h GLY 14 Ca 0.40 -1.16 -0.09 0.00 0.00 0.00 0.00 47.33 46.48 2dxc h GLY 14 CO -0.15 1.02 -0.09 -0.84 0.00 0.00 0.00 176.54 176.49 2dxc h THR 15 N 0.30 1.27 -0.00 4.70 2.02 0.17 -2.93 112.91 118.43 2dxc h THR 15 Ca -0.12 -1.17 0.00 0.00 0.77 0.00 0.00 66.41 65.88 2dxc h THR 15 Cb 1.71 1.21 -0.00 0.00 -1.74 0.00 0.00 68.15 69.33 2dxc h THR 15 CO 0.20 0.39 0.04 -0.37 0.37 0.00 0.00 175.52 176.15 2dxc h VAL 16 N 0.59 0.06 -0.17 3.16 -1.51 -1.41 0.10 116.25 117.07 2dxc h VAL 16 Ca 0.10 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.55 2dxc h VAL 16 Cb 0.61 0.96 -0.01 0.00 -2.13 0.00 0.00 31.29 30.72 2dxc h VAL 16 CO 0.04 0.00 -0.02 0.00 -1.23 0.00 0.00 177.57 176.36 2dxc h ALA 17 N 1.93 1.66 0.00 5.19 0.00 -1.65 -1.32 119.26 125.06 2dxc h ALA 17 Ca 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2dxc h ALA 17 Cb 0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2dxc h ALA 17 CO -0.00 0.26 -0.17 -0.07 0.00 0.00 0.00 179.25 179.27 2dxc h LEU 18 N 0.24 0.00 -1.92 0.00 3.38 -1.12 -2.66 115.31 113.24 2dxc h LEU 18 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2dxc h LEU 18 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2dxc h LEU 18 CO 0.01 0.17 0.00 0.23 0.09 0.00 0.00 178.44 178.93 2dxc n MET 19 N -4.02 2.23 -1.66 1.13 2.81 -0.51 -4.94 117.12 112.17 2dxc n MET 19 Ca -0.02 -1.88 -0.48 0.00 -1.81 0.00 0.00 57.70 53.50 2dxc n MET 19 Cb 0.25 -1.44 -0.05 0.00 -0.71 0.00 0.00 33.22 31.27 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 1.05 2.06 -1.75 0.03 -0.06 -1.00 -4.90 117.38 112.81 2dxc n GLN 20 Ca 0.18 0.73 -0.38 0.00 -2.00 0.00 0.00 57.00 55.53 2dxc n GLN 20 Cb 0.47 -2.66 0.04 0.00 -4.06 0.00 0.00 30.24 24.04 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 4.44 3.10 0.19 3.69 0.02 -1.26 -5.03 135.00 140.15 2dxc s PRO 21 Ca 0.95 2.26 -0.23 0.00 0.02 0.00 0.00 61.00 64.01 2dxc s PRO 21 Cb -0.69 -2.25 0.06 0.00 0.02 0.00 0.00 34.50 31.64 2dxc s PRO 21 CO 0.51 -1.23 0.63 0.00 -0.33 0.00 0.00 177.00 176.58 2dxc s ALA 22 N -1.29 -1.50 -0.58 -1.55 0.00 -1.26 -5.08 121.76 110.49 2dxc s ALA 22 Ca 0.72 0.29 -0.17 0.00 0.00 0.00 0.00 51.96 52.80 2dxc s ALA 22 Cb -0.41 0.88 0.13 0.00 0.00 0.00 0.00 23.12 23.71 2dxc s ALA 22 CO 0.49 -0.84 0.59 -0.51 0.00 0.00 0.00 175.76 175.49 2dxc s LEU 23 N -2.79 5.99 -0.56 0.00 1.43 -1.26 -5.01 118.68 116.47 2dxc s LEU 23 Ca 0.04 -1.76 -0.19 0.00 -1.03 0.00 0.00 54.13 51.18 2dxc s LEU 23 Cb -0.02 -2.24 0.09 0.00 0.03 0.00 0.00 46.19 44.05 2dxc s LEU 23 CO -0.08 -0.91 0.67 -2.28 0.23 0.00 0.00 176.35 173.98 2dxc s HIS 24 N 1.82 3.02 -0.51 0.29 2.46 -1.26 -5.02 115.29 116.08 2dxc s HIS 24 Ca 0.07 -0.83 -0.14 0.00 0.47 0.00 0.00 55.06 54.63 2dxc s HIS 24 Cb -0.26 -3.85 0.12 0.00 -0.13 0.00 0.00 32.58 28.46 2dxc s HIS 24 CO 0.03 -1.20 0.44 -1.14 -2.47 0.00 0.00 174.74 170.40 2dxc s GLN 25 N 2.64 2.85 0.43 2.88 0.74 -1.26 -5.06 119.66 122.89 2dxc s GLN 25 Ca 0.12 -1.68 -0.25 0.00 0.05 0.00 0.00 55.36 53.60 2dxc s GLN 25 Cb -0.23 -4.17 -0.08 0.00 1.10 0.00 0.00 33.01 29.63 2dxc s GLN 25 CO 0.08 -1.25 1.36 -0.65 -0.55 0.00 0.00 175.29 174.27 2dxc s GLN 26 N 1.54 3.80 -0.21 1.67 -0.21 -1.26 -5.00 119.66 119.99 2dxc s GLN 26 Ca 0.04 2.27 -0.02 0.00 0.02 0.00 0.00 55.36 57.66 2dxc s GLN 26 Cb -0.28 -2.68 0.00 0.00 1.00 0.00 0.00 33.01 31.05 2dxc s GLN 26 CO 0.02 -0.67 -0.09 0.95 -2.12 0.00 0.00 175.29 173.38 2dxc s THR 27 N -1.25 2.95 -0.65 -0.19 -4.23 -1.26 -5.04 115.64 105.97 2dxc s THR 27 Ca 0.60 -0.64 0.06 0.00 -1.18 0.00 0.00 61.69 60.52 2dxc s THR 27 Cb -0.40 -2.31 0.22 0.00 1.34 0.00 0.00 72.50 71.34 2dxc s THR 27 CO 0.52 0.46 0.63 1.41 -0.54 0.00 0.00 174.62 177.10 2dxc n HIS 28 N 4.72 3.22 -3.53 3.99 8.25 -1.26 -4.90 115.22 125.72 2dxc n HIS 28 Ca -0.19 -4.17 -0.23 0.00 -0.26 0.00 0.00 57.72 52.86 2dxc n HIS 28 Cb 0.51 -0.55 0.04 0.00 1.12 0.00 0.00 29.99 31.10 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 1.34 -2.56 -1.00 -1.41 0.00 -1.26 -4.93 120.51 110.70 2dxc n ALA 29 Ca 0.26 -0.14 -0.33 0.00 0.00 0.00 0.00 53.44 53.23 2dxc n ALA 29 Cb 0.39 -3.74 0.14 0.00 0.00 0.00 0.00 19.45 16.24 2dxc n ALA 29 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2dxc n PRO 30 N -3.52 0.02 -1.29 0.00 -0.02 -1.26 -4.99 135.00 123.93 2dxc n PRO 30 Ca -0.10 0.08 -0.31 0.00 -2.02 0.00 0.00 63.50 61.16 2dxc n PRO 30 Cb 0.59 -2.38 0.09 0.00 -0.02 0.00 0.00 33.50 31.78 2dxc n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2dxc s ALA 31 N -2.25 2.30 0.48 3.55 0.00 -1.26 -4.91 121.76 119.68 2dxc s ALA 31 Ca 0.71 0.24 0.17 0.00 0.00 0.00 0.00 51.96 53.09 2dxc s ALA 31 Cb -0.28 -3.26 1.19 0.00 0.00 0.00 0.00 23.12 20.77 2dxc s ALA 31 CO 0.53 -1.71 2.03 -1.35 0.00 0.00 0.00 175.76 175.27 2dxc h PRO 32 N -1.09 0.19 0.00 0.00 0.11 -1.96 -0.28 132.00 128.97 2dxc h PRO 32 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2dxc h PRO 32 Cb 1.23 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2dxc h PRO 32 CO 0.52 0.13 0.00 0.25 -0.21 0.00 0.00 178.00 178.68 2dxc n THR 33 N -4.46 0.56 0.75 -1.15 -2.24 -1.26 -1.82 114.28 104.66 2dxc n THR 33 Ca 0.06 0.14 0.11 0.00 -2.27 0.00 0.00 64.05 62.09 2dxc n THR 33 Cb 0.34 -0.89 0.12 0.00 -2.10 0.00 0.00 70.33 67.80 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 -1.28 2.11 -3.68 -0.78 -0.58 -0.12 -4.86 120.64 111.46 2dxc n GLU 34 Ca 0.07 -1.90 -0.39 0.00 -0.42 0.00 0.00 57.16 54.53 2dxc n GLU 34 Cb 0.12 -1.43 -0.12 0.00 -0.57 0.00 0.00 31.44 29.44 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 -1.71 4.32 0.69 -3.67 -1.09 -0.76 -5.00 121.20 113.98 2dxc s ILE 35 Ca 0.28 -0.73 -0.06 0.00 -2.23 0.00 0.00 60.65 57.91 2dxc s ILE 35 Cb 0.19 -3.31 0.06 0.00 -1.58 0.00 0.00 42.46 37.82 2dxc s ILE 35 CO 0.28 -0.06 0.99 0.42 -1.23 0.00 0.00 174.94 175.34 2dxc s THR 36 N 1.54 2.38 0.25 2.92 -4.23 -1.26 -4.86 115.64 112.38 2dxc s THR 36 Ca 0.02 -0.28 -0.05 0.00 -1.18 0.00 0.00 61.69 60.20 2dxc s THR 36 Cb -0.18 -3.03 0.21 0.00 1.34 0.00 0.00 72.50 70.84 2dxc s THR 36 CO 0.05 -0.03 1.87 -0.74 -0.54 0.00 0.00 174.62 175.23 2dxc h HIS 37 N -0.52 1.15 -0.54 3.99 2.76 -1.98 0.51 115.15 120.51 2dxc h HIS 37 Ca -0.44 -0.03 0.04 0.00 -2.20 0.00 0.00 60.37 57.74 2dxc h HIS 37 Cb 1.31 -0.37 -0.04 0.00 1.55 0.00 0.00 27.41 29.86 2dxc h HIS 37 CO 0.35 0.81 0.29 1.15 -1.30 0.00 0.00 177.93 179.22 2dxc h THR 38 N 1.17 0.98 -0.19 6.26 2.02 -2.00 -0.32 112.91 120.83 2dxc h THR 38 Ca 0.29 -0.19 -0.16 0.00 0.77 0.00 0.00 66.41 67.12 2dxc h THR 38 Cb 0.05 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 2dxc h THR 38 CO -0.04 0.10 -0.53 -0.07 0.37 0.00 0.00 175.52 175.34 2dxc h LEU 39 N 0.56 0.61 -0.43 2.58 3.38 -1.79 -2.14 115.31 118.08 2dxc h LEU 39 Ca 0.24 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.90 2dxc h LEU 39 Cb 0.12 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2dxc h LEU 39 CO -0.15 1.03 0.28 0.15 0.09 0.00 0.00 178.44 179.83 2dxc h PHE 40 N 0.43 0.53 -0.64 1.13 3.57 -0.22 0.51 116.94 122.24 2dxc h PHE 40 Ca 0.01 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 2dxc h PHE 40 Cb 1.07 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 2dxc h PHE 40 CO 0.04 0.32 0.05 -0.09 -2.23 0.00 0.00 178.31 176.41 2dxc h ARG 41 N 0.57 1.09 -0.43 1.11 2.43 -1.02 -1.22 114.38 116.90 2dxc h ARG 41 Ca 0.16 -0.32 -0.09 0.00 -0.81 0.00 0.00 59.98 58.93 2dxc h ARG 41 Cb -0.05 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 2dxc h ARG 41 CO -0.05 1.03 -0.08 0.00 -1.51 0.00 0.00 179.97 179.36 2dxc h ALA 42 N 1.02 1.04 0.05 2.80 0.00 -0.93 -1.92 119.26 121.32 2dxc h ALA 42 Ca 0.19 -0.30 -0.25 0.00 0.00 0.00 0.00 54.91 54.55 2dxc h ALA 42 Cb 0.50 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.13 2dxc h ALA 42 CO 0.02 0.58 -1.06 1.88 0.00 0.00 0.00 179.25 180.67 2dxc h TYR 43 N 0.69 0.64 -0.25 0.00 0.05 -0.76 -3.29 116.97 114.04 2dxc h TYR 43 Ca 0.12 -0.38 0.00 0.00 0.05 0.00 0.00 58.73 58.52 2dxc h TYR 43 Cb 0.55 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.23 2dxc h TYR 43 CO 0.03 1.23 0.00 0.25 -1.05 0.00 0.00 178.16 178.62 2dxc n THR 44 N -3.70 0.33 -0.68 -2.88 -2.24 -0.47 -4.94 114.28 99.69 2dxc n THR 44 Ca -0.08 -0.44 -0.31 0.00 -2.27 0.00 0.00 64.05 60.95 2dxc n THR 44 Cb 0.90 0.40 0.17 0.00 -2.10 0.00 0.00 70.33 69.71 2dxc n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dxc s ARG 45 N -1.67 0.92 -0.31 -0.78 1.70 -0.73 -4.96 118.95 113.12 2dxc s ARG 45 Ca 0.31 1.53 -0.19 0.00 -0.47 0.00 0.00 55.73 56.92 2dxc s ARG 45 Cb 0.17 -1.72 -0.01 0.00 -0.57 0.00 0.00 34.95 32.82 2dxc s ARG 45 CO 0.24 -2.69 0.55 0.14 -1.08 0.00 0.00 175.30 172.46 2dxc s VAL 46 N -2.64 5.01 0.39 4.99 -7.23 -1.26 -4.97 120.40 114.69 2dxc s VAL 46 Ca 0.67 0.67 0.23 0.00 -1.81 0.00 0.00 61.98 61.73 2dxc s VAL 46 Cb -0.23 -3.93 0.40 0.00 0.56 0.00 0.00 36.38 33.19 2dxc s VAL 46 CO 0.58 -0.10 1.64 -0.65 -0.31 0.00 0.00 175.10 176.26 2dxc h PRO 47 N 8.24 0.16 0.00 4.82 0.11 -1.83 -2.08 132.00 141.43 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 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2dxc h PRO 47 CO 0.76 0.11 0.00 -2.39 -0.21 0.00 0.00 178.00 176.27 2dxc n HIS 48 N -4.90 0.78 -2.65 0.65 1.44 -1.12 -4.40 115.22 105.02 2dxc n HIS 48 Ca 0.35 0.31 -0.43 0.00 -2.01 0.00 0.00 57.72 55.93 2dxc n HIS 48 Cb 1.22 -1.00 0.00 0.00 0.12 0.00 0.00 29.99 30.34 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 -2.21 4.99 -0.33 4.39 2.03 -0.78 -4.71 116.55 119.93 2dxc n ASP 49 Ca 0.02 -2.95 0.09 0.00 0.52 0.00 0.00 54.79 52.47 2dxc n ASP 49 Cb 0.23 -1.66 -0.02 0.00 -0.72 0.00 0.00 41.12 38.95 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 5.42 0.00 -1.66 5.18 0.24 -1.26 -4.99 118.33 121.26 2dxc n VAL 50 Ca 0.44 -0.27 -0.49 0.00 -2.04 0.00 0.00 64.34 61.98 2dxc n VAL 50 Cb 0.44 1.17 -0.05 0.00 -1.47 0.00 0.00 33.84 33.93 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 1.27 1.06 0.42 7.63 0.00 -1.26 -1.77 105.19 112.54 2dxc n GLY 51 Ca 0.07 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.83 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 3.58 0.93 3.76 -0.02 0.00 -1.26 -5.06 105.19 107.12 2dxc n GLY 52 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.87 4.54 0.37 1.61 2.02 -0.73 -4.98 118.70 120.66 2dxc s GLU 53 Ca 0.00 1.96 -0.27 0.00 0.02 0.00 0.00 54.97 56.68 2dxc s GLU 53 Cb 0.00 -3.15 -0.09 0.00 0.10 0.00 0.00 34.13 30.99 2dxc s GLU 53 CO 0.00 0.06 1.26 0.00 0.02 0.00 0.00 175.26 176.60 2dxc s ALA 54 N -1.15 3.32 0.19 5.21 0.00 -1.26 -5.02 121.76 123.05 2dxc s ALA 54 Ca 0.46 1.15 -0.17 0.00 0.00 0.00 0.00 51.96 53.41 2dxc s ALA 54 Cb -0.35 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.35 2dxc s ALA 54 CO 0.45 -0.65 0.51 0.34 0.00 0.00 0.00 175.76 176.41 2dxc s ASP 55 N -0.76 -0.24 0.58 0.00 -1.08 -1.26 -5.18 116.67 108.73 2dxc s ASP 55 Ca 0.53 -0.51 0.01 0.00 -0.52 0.00 0.00 52.55 52.06 2dxc s ASP 55 Cb -0.36 0.57 0.05 0.00 -1.46 0.00 0.00 42.92 41.72 2dxc s ASP 55 CO 0.47 -1.04 0.82 0.68 0.52 0.00 0.00 175.17 176.62 2dxc s VAL 56 N -3.88 2.55 0.22 1.11 -7.23 -1.26 -5.07 120.40 106.84 2dxc s VAL 56 Ca 0.10 -0.65 -0.28 0.00 -1.81 0.00 0.00 61.98 59.34 2dxc s VAL 56 Cb -0.01 -2.91 -0.09 0.00 0.56 0.00 0.00 36.38 33.94 2dxc s VAL 56 CO -0.02 0.00 0.89 -2.84 -0.31 0.00 0.00 175.10 172.81 2dxc s PRO 57 N -4.84 4.76 0.03 4.82 0.02 -1.26 -5.05 135.00 133.49 2dxc s PRO 57 Ca 0.59 1.38 0.03 0.00 0.02 0.00 0.00 61.00 63.02 2dxc s PRO 57 Cb -0.09 -3.27 -0.02 0.00 0.02 0.00 0.00 34.50 31.13 2dxc s PRO 57 CO 0.40 0.54 -0.08 0.96 -0.33 0.00 0.00 177.00 178.48 2dxc s ILE 58 N -1.16 0.63 -0.73 2.83 -4.36 -1.26 -5.08 121.20 112.07 2dxc s ILE 58 Ca 0.39 -0.89 -0.27 0.00 -0.26 0.00 0.00 60.65 59.63 2dxc s ILE 58 Cb -0.25 -0.63 0.02 0.00 1.25 0.00 0.00 42.46 42.85 2dxc s ILE 58 CO 0.30 -0.21 1.40 -0.70 0.24 0.00 0.00 174.94 175.98 2dxc s GLU 59 N -1.20 3.09 0.43 0.37 2.12 -1.26 -4.96 118.70 117.30 2dxc s GLU 59 Ca -0.05 -0.12 -0.25 0.00 0.36 0.00 0.00 54.97 54.91 2dxc s GLU 59 Cb -0.08 -4.27 -0.10 0.00 0.26 0.00 0.00 34.13 29.94 2dxc s GLU 59 CO 0.01 -2.27 1.22 0.66 -0.54 0.00 0.00 175.26 174.33 2dxc n TYR 60 N 10.04 1.95 -4.24 5.30 4.01 -1.26 -5.02 117.16 127.95 2dxc n TYR 60 Ca 0.08 0.51 -0.13 0.00 -0.16 0.00 0.00 57.90 58.19 2dxc n TYR 60 Cb 0.50 -2.35 -0.10 0.00 -0.31 0.00 0.00 39.34 37.08 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 -1.22 1.20 0.34 -0.72 -3.43 -1.26 -5.15 115.29 105.04 2dxc s HIS 61 Ca 0.62 -0.87 -0.00 0.00 -0.80 0.00 0.00 55.06 54.01 2dxc s HIS 61 Cb -0.51 -0.65 -0.04 0.00 -1.43 0.00 0.00 32.58 29.95 2dxc s HIS 61 CO 0.57 -0.05 0.55 -1.21 -2.00 0.00 0.00 174.74 172.60 2dxc s GLU 62 N -3.82 3.50 -0.04 -0.38 0.41 -1.26 -5.10 118.70 112.01 2dxc s GLU 62 Ca 0.18 -0.29 0.02 0.00 -0.41 0.00 0.00 54.97 54.47 2dxc s GLU 62 Cb 0.04 -2.66 0.01 0.00 -1.78 0.00 0.00 34.13 29.74 2dxc s GLU 62 CO 0.01 0.16 -0.07 0.21 -0.49 0.00 0.00 175.26 175.08 2dxc s LYS 63 N -4.20 0.99 0.32 1.61 2.20 -1.26 -5.11 119.74 114.29 2dxc s LYS 63 Ca 0.40 -0.21 -0.29 0.00 -0.36 0.00 0.00 55.97 55.52 2dxc s LYS 63 Cb -0.10 -0.92 -0.11 0.00 -1.51 0.00 0.00 37.83 35.19 2dxc s LYS 63 CO 0.35 -0.01 1.41 -2.00 -0.36 0.00 0.00 175.35 174.75 2dxc s GLU 64 N 0.64 4.25 0.06 4.03 2.12 -1.26 -4.96 118.70 123.58 2dxc s GLU 64 Ca -0.10 2.37 -0.30 0.00 0.36 0.00 0.00 54.97 57.30 2dxc s GLU 64 Cb -0.13 -3.05 -0.05 0.00 0.26 0.00 0.00 34.13 31.17 2dxc s GLU 64 CO 0.01 -0.37 1.01 -2.00 -0.54 0.00 0.00 175.26 173.37 2dxc s GLU 65 N -1.46 4.59 0.38 4.30 2.12 -1.26 -5.04 118.70 122.32 2dxc s GLU 65 Ca 0.53 1.50 -0.18 0.00 0.36 0.00 0.00 54.97 57.18 2dxc s GLU 65 Cb -0.43 -3.41 -0.10 0.00 0.26 0.00 0.00 34.13 30.46 2dxc s GLU 65 CO 0.53 0.01 0.86 -1.21 -0.54 0.00 0.00 175.26 174.91 2dxc s GLU 66 N 0.60 4.14 0.19 4.30 0.41 -1.26 -4.97 118.70 122.11 2dxc s GLU 66 Ca 0.51 0.93 -0.12 0.00 -0.41 0.00 0.00 54.97 55.88 2dxc s GLU 66 Cb -0.24 -2.29 0.12 0.00 -1.78 0.00 0.00 34.13 29.94 2dxc s GLU 66 CO 0.29 0.05 1.85 0.82 -0.49 0.00 0.00 175.26 177.78 2dxc h ILE 67 N 1.94 1.14 0.00 -1.63 1.08 -2.00 -2.07 117.51 115.97 2dxc h ILE 67 Ca -0.49 -0.28 -0.04 0.00 -0.39 0.00 0.00 64.86 63.66 2dxc h ILE 67 Cb 1.18 0.24 -0.01 0.00 -3.07 0.00 0.00 36.82 35.16 2dxc h ILE 67 CO 0.63 0.15 -0.20 4.11 -0.69 0.00 0.00 178.15 182.15 2dxc h TRP 68 N 0.82 0.00 -0.31 1.37 5.08 -1.99 -1.59 115.95 119.34 2dxc h TRP 68 Ca 0.23 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 60.11 2dxc h TRP 68 Cb -0.07 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.08 2dxc h TRP 68 CO -0.04 0.20 -0.19 0.93 -1.28 0.00 0.00 178.44 178.07 2dxc h GLU 69 N 0.00 0.68 -0.68 0.12 5.08 -1.78 0.47 114.58 118.47 2dxc h GLU 69 Ca -0.00 -0.31 0.01 0.00 -1.00 0.00 0.00 59.36 58.06 2dxc h GLU 69 Cb 0.39 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 2dxc h GLU 69 CO 0.03 0.91 0.44 1.25 -1.00 0.00 0.00 179.01 180.64 2dxc h LEU 70 N 0.44 0.76 -0.69 1.33 6.46 -0.89 -1.03 115.31 121.68 2dxc h LEU 70 Ca 0.06 -0.01 -0.13 0.00 -0.12 0.00 0.00 57.88 57.68 2dxc h LEU 70 Cb 0.73 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.47 2dxc h LEU 70 CO 0.05 0.54 -0.43 0.78 -0.62 0.00 0.00 178.44 178.76 2dxc h ASN 71 N 0.90 0.54 -0.30 1.25 2.35 -1.13 -2.69 115.58 116.49 2dxc h ASN 71 Ca 0.26 -0.25 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 2dxc h ASN 71 Cb -0.07 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 2dxc h ASN 71 CO -0.07 0.90 0.03 0.74 -1.65 0.00 0.00 177.43 177.38 2dxc h THR 72 N 0.41 1.24 -0.51 2.81 2.02 -0.43 -0.68 112.91 117.77 2dxc h THR 72 Ca 0.03 -0.86 0.02 0.00 0.77 0.00 0.00 66.41 66.37 2dxc h THR 72 Cb 0.93 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 68.53 2dxc h THR 72 CO 0.08 0.28 0.32 0.15 0.37 0.00 0.00 175.52 176.72 2dxc h PHE 73 N 0.32 0.60 -0.64 3.16 3.57 -1.16 -0.64 116.94 122.14 2dxc h PHE 73 Ca 0.09 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 2dxc h PHE 73 Cb 0.38 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 2dxc h PHE 73 CO 0.03 0.35 0.20 0.00 -2.23 0.00 0.00 178.31 176.66 2dxc h ALA 74 N 1.22 0.83 -0.66 2.41 0.00 -1.35 -1.87 119.26 119.84 2dxc h ALA 74 Ca 0.20 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2dxc h ALA 74 Cb -0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 2dxc h ALA 74 CO -0.08 0.50 0.35 1.15 0.00 0.00 0.00 179.25 181.17 2dxc h THR 75 N 0.91 1.21 -0.55 0.00 2.02 -0.68 0.32 112.91 116.15 2dxc h THR 75 Ca 0.21 -0.55 -0.08 0.00 0.77 0.00 0.00 66.41 66.76 2dxc h THR 75 Cb 0.29 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 2dxc h THR 75 CO -0.01 0.24 0.05 0.00 0.37 0.00 0.00 175.52 176.17 2dxc h GLU 77 N 0.83 0.24 -0.37 0.00 4.39 -1.16 -2.75 114.58 115.76 2dxc h GLU 77 Ca 0.16 -0.16 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 2dxc h GLU 77 Cb 0.47 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2dxc h GLU 77 CO 0.02 0.77 -0.31 0.00 -1.16 0.00 0.00 179.01 178.33 2dxc h LEU 79 N 0.69 0.70 -0.04 0.00 3.38 -1.06 -0.31 115.31 118.66 2dxc h LEU 79 Ca 0.07 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 2dxc h LEU 79 Cb 0.86 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.43 2dxc h LEU 79 CO 0.08 0.71 -0.33 0.00 0.09 0.00 0.00 178.44 178.98 2dxc h ALA 80 N 1.39 0.10 -0.88 1.53 0.00 -1.19 0.19 119.26 120.39 2dxc h ALA 80 Ca 0.16 -0.46 0.15 0.00 0.00 0.00 0.00 54.91 54.76 2dxc h ALA 80 Cb 0.30 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.00 2dxc h ALA 80 CO 0.00 0.17 0.47 2.35 0.00 0.00 0.00 179.25 182.25 2dxc h TRP 81 N -0.24 0.83 -0.35 0.00 7.01 -0.29 -0.64 115.95 122.29 2dxc h TRP 81 Ca -0.03 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.01 2dxc h TRP 81 Cb 1.01 -0.24 0.00 0.00 -2.10 0.00 0.00 29.16 27.83 2dxc h TRP 81 CO 0.14 0.21 0.00 0.54 -2.79 0.00 0.00 178.44 176.54 2dxc n ARG 82 N -4.84 2.88 -1.11 2.65 5.12 -0.15 -4.94 116.66 116.28 2dxc n ARG 82 Ca 0.18 -1.70 -0.04 0.00 -1.93 0.00 0.00 57.85 54.36 2dxc n ARG 82 Cb 0.44 -1.78 -0.02 0.00 -1.16 0.00 0.00 32.46 29.95 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 0.56 0.66 0.16 -0.13 0.00 -0.25 -4.91 105.19 101.29 2dxc n GLY 83 Ca 0.15 -0.45 -0.05 0.00 0.00 0.00 0.00 46.02 45.67 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 1.40 -2.60 1.61 2.07 -0.84 -3.47 116.25 114.42 2dxc h VAL 84 Ca -0.08 -2.06 0.12 0.00 0.82 0.00 0.00 66.70 65.50 2dxc h VAL 84 Cb 0.37 2.06 -0.08 0.00 -1.52 0.00 0.00 31.29 32.12 2dxc h VAL 84 CO 0.11 0.61 0.38 -1.66 0.02 0.00 0.00 177.57 177.03 2dxc s TRP 85 N -3.69 -0.20 0.33 1.57 -2.14 -1.23 -5.01 118.94 108.56 2dxc s TRP 85 Ca -0.04 -0.13 0.07 0.00 2.66 0.00 0.00 56.10 58.66 2dxc s TRP 85 Cb 0.12 0.65 -0.02 0.00 -3.10 0.00 0.00 33.47 31.12 2dxc s TRP 85 CO 0.80 -0.94 0.41 0.95 -2.66 0.00 0.00 176.95 175.51 2dxc s THR 86 N -3.51 3.99 0.31 0.66 -4.23 -1.26 -4.06 115.64 107.54 2dxc s THR 86 Ca 0.10 -1.11 -0.00 0.00 -1.18 0.00 0.00 61.69 59.50 2dxc s THR 86 Cb -0.03 -3.37 0.23 0.00 1.34 0.00 0.00 72.50 70.67 2dxc s THR 86 CO 0.02 -0.17 1.94 0.00 -0.54 0.00 0.00 174.62 175.86 2dxc h ALA 87 N 1.02 1.41 -0.74 3.99 0.00 -1.96 -2.27 119.26 120.70 2dxc h ALA 87 Ca -0.46 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 2dxc h ALA 87 Cb 1.25 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 2dxc h ALA 87 CO 0.55 0.50 0.33 0.93 0.00 0.00 0.00 179.25 181.56 2dxc h GLU 88 N 0.93 1.07 -0.72 0.00 4.39 -1.99 0.51 114.58 118.76 2dxc h GLU 88 Ca 0.24 -0.16 -0.06 0.00 0.34 0.00 0.00 59.36 59.72 2dxc h GLU 88 Cb 0.01 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.43 2dxc h GLU 88 CO -0.04 0.84 0.23 0.93 -1.16 0.00 0.00 179.01 179.80 2dxc h GLU 89 N 1.05 1.12 -0.11 2.33 5.08 -1.82 -1.88 114.58 120.36 2dxc h GLU 89 Ca 0.25 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2dxc h GLU 89 Cb 0.14 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 2dxc h GLU 89 CO -0.03 0.95 0.04 -0.09 -1.00 0.00 0.00 179.01 178.89 2dxc h ARG 90 N 1.08 0.16 -0.31 2.33 2.43 -0.82 -2.11 114.38 117.13 2dxc h ARG 90 Ca 0.23 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.42 2dxc h ARG 90 Cb 0.30 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 2dxc h ARG 90 CO -0.01 0.26 0.04 0.00 -1.51 0.00 0.00 179.97 178.76 2dxc h ARG 91 N 0.02 0.14 -0.51 0.20 3.08 -0.71 0.49 114.38 117.09 2dxc h ARG 91 Ca 0.04 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.10 2dxc h ARG 91 Cb 0.16 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 2dxc h ARG 91 CO -0.00 0.10 0.31 -0.09 -1.07 0.00 0.00 179.97 179.21 2dxc h ARG 92 N 0.15 0.59 -0.23 0.04 1.12 -1.28 0.28 114.38 115.06 2dxc h ARG 92 Ca 0.15 -0.04 -0.18 0.00 -1.11 0.00 0.00 59.98 58.81 2dxc h ARG 92 Cb 0.17 -0.13 0.00 0.00 -0.01 0.00 0.00 29.97 30.00 2dxc h ARG 92 CO -0.21 0.39 -0.54 0.87 -3.11 0.00 0.00 179.97 177.37 2dxc h LYS 93 N 0.61 0.77 0.01 0.20 1.57 -0.96 -0.50 116.57 118.26 2dxc h LYS 93 Ca 0.20 -0.52 -0.15 0.00 -1.87 0.00 0.00 60.65 58.31 2dxc h LYS 93 Cb 0.01 0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.41 2dxc h LYS 93 CO -0.09 1.15 -0.60 0.37 -0.57 0.00 0.00 179.45 179.70 2dxc h GLN 94 N 0.50 0.39 -0.02 3.15 4.15 0.16 -3.07 115.11 120.37 2dxc h GLN 94 Ca -0.00 -0.44 0.00 0.00 0.77 0.00 0.00 58.65 58.98 2dxc h GLN 94 Cb 1.16 0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.97 2dxc h GLN 94 CO 0.12 1.11 -0.15 0.09 -1.93 0.00 0.00 178.83 178.07 2dxc n ASN 95 N -4.22 2.40 0.10 -0.69 3.02 0.95 -4.53 115.26 112.29 2dxc n ASN 95 Ca -0.11 -1.70 0.00 0.00 -0.03 0.00 0.00 54.58 52.75 2dxc n ASN 95 Cb 0.68 0.17 0.00 0.00 -0.61 0.00 0.00 39.78 40.02 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 0.19 0.00 3.32 -1.10 -1.01 116.42 117.82 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 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 2dxc h ASP 97 CO 0.00 0.00 -0.02 -0.37 -1.72 0.00 0.00 179.24 177.13 2dxc h VAL 98 N 0.00 0.23 0.00 -1.35 -1.51 -1.77 -3.48 116.25 108.37 2dxc h VAL 98 Ca 0.32 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.63 2dxc h VAL 98 Cb 1.34 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.63 2dxc h VAL 98 CO -0.00 0.02 0.00 0.61 -1.23 0.00 0.00 177.57 176.97 2dxc n GLY 99 N -0.93 -0.77 0.33 5.19 0.00 -0.38 -4.40 105.19 104.23 2dxc n GLY 99 Ca -0.02 -1.54 -0.05 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.14 0.49 1.61 5.75 -1.93 -0.44 115.11 120.45 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 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 2dxc h GLN 100 CO 0.00 -0.09 -0.31 1.15 -2.65 0.00 0.00 178.83 176.93 2dxc h THR 101 N -0.14 0.37 -0.54 2.39 2.02 -2.00 -2.84 112.91 112.17 2dxc h THR 101 Ca 0.24 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.36 2dxc h THR 101 Cb 0.54 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 2dxc h THR 101 CO -0.67 0.00 0.07 0.58 0.37 0.00 0.00 175.52 175.87 2dxc h VAL 102 N -0.76 1.24 -0.99 3.16 2.07 -1.74 0.58 116.25 119.81 2dxc h VAL 102 Ca -0.05 -0.94 0.17 0.00 0.82 0.00 0.00 66.70 66.70 2dxc h VAL 102 Cb 0.62 0.75 -0.10 0.00 -1.52 0.00 0.00 31.29 31.04 2dxc h VAL 102 CO 0.05 0.34 0.60 0.22 0.02 0.00 0.00 177.57 178.80 2dxc h TYR 103 N 0.82 1.07 0.00 1.57 3.20 -0.89 -1.96 116.97 120.77 2dxc h TYR 103 Ca 0.17 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.07 2dxc h TYR 103 Cb 0.39 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.33 2dxc h TYR 103 CO 0.02 0.27 -0.77 1.28 -1.64 0.00 0.00 178.16 177.33 2dxc n LEU 104 N -4.75 0.40 -0.00 2.82 4.77 -1.09 -4.61 117.00 114.55 2dxc n LEU 104 Ca 0.22 -0.38 -0.09 0.00 -0.03 0.00 0.00 56.01 55.73 2dxc n LEU 104 Cb 0.52 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.48 2dxc n LEU 104 CO 0.22 0.10 -0.38 1.23 -1.33 0.00 0.00 177.39 177.24 2dxc h GLY 105 N 2.51 0.01 -2.41 -0.72 0.00 -0.68 -3.47 103.07 98.31 2dxc h GLY 105 Ca 0.00 -0.04 -0.43 0.00 0.00 0.00 0.00 47.33 46.86 2dxc h GLY 105 CO 0.00 0.03 -0.22 1.06 0.00 0.00 0.00 176.54 177.41 2dxc s MET 106 N -2.62 2.89 0.52 4.80 -1.94 -0.75 -5.05 119.30 117.15 2dxc s MET 106 Ca -0.04 -0.98 -0.18 0.00 -1.71 0.00 0.00 55.69 52.78 2dxc s MET 106 Cb 0.08 -2.70 -0.07 0.00 2.01 0.00 0.00 34.83 34.15 2dxc s MET 106 CO 0.82 -0.25 1.01 -2.14 -0.01 0.00 0.00 175.02 174.45 2dxc s PRO 107 N -4.40 3.79 0.04 2.03 0.02 -1.26 -4.92 135.00 130.30 2dxc s PRO 107 Ca 0.51 1.14 -0.10 0.00 0.02 0.00 0.00 61.00 62.57 2dxc s PRO 107 Cb -0.10 -2.11 -0.03 0.00 0.02 0.00 0.00 34.50 32.29 2dxc s PRO 107 CO 0.34 -0.42 1.16 -0.92 -0.33 0.00 0.00 177.00 176.84 2dxc h TYR 108 N 1.08 -0.54 0.00 6.54 3.20 -1.97 0.56 116.97 125.83 2dxc h TYR 108 Ca -0.48 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.42 2dxc h TYR 108 Cb 1.20 0.27 -0.00 0.00 1.54 0.00 0.00 36.73 39.74 2dxc h TYR 108 CO 0.61 -0.13 -0.01 1.88 -1.64 0.00 0.00 178.16 178.87 2dxc h TYR 109 N -0.05 0.00 -0.59 -3.82 0.05 -1.99 -1.87 116.97 108.70 2dxc h TYR 109 Ca 0.04 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.76 2dxc h TYR 109 Cb 0.15 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.86 2dxc h TYR 109 CO -0.82 0.01 0.14 0.78 -1.05 0.00 0.00 178.16 177.22 2dxc h GLY 110 N 0.97 0.99 1.13 3.88 0.00 -1.28 -0.59 103.07 108.17 2dxc h GLY 110 Ca -0.00 -0.59 -0.17 0.00 0.00 0.00 0.00 47.33 46.56 2dxc h GLY 110 CO 0.00 0.55 -0.48 3.21 0.00 0.00 0.00 176.54 179.83 2dxc h ARG 111 N 0.88 0.90 -0.34 4.80 3.08 -0.58 -0.95 114.38 122.17 2dxc h ARG 111 Ca 0.19 -0.53 0.04 0.00 0.07 0.00 0.00 59.98 59.74 2dxc h ARG 111 Cb 0.33 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 2dxc h ARG 111 CO 0.00 1.17 0.13 -1.49 -1.07 0.00 0.00 179.97 178.71 2dxc h TRP 112 N 0.69 0.23 -0.11 3.04 4.06 -1.25 -1.12 115.95 121.49 2dxc h TRP 112 Ca 0.03 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.99 2dxc h TRP 112 Cb 1.08 -0.05 -0.00 0.00 -1.00 0.00 0.00 29.16 29.18 2dxc h TRP 112 CO 0.07 0.11 0.02 1.25 -3.56 0.00 0.00 178.44 176.33 2dxc h LEU 113 N 0.28 0.17 -1.02 -4.49 5.85 -1.01 -1.47 115.31 113.62 2dxc h LEU 113 Ca 0.15 -0.24 0.07 0.00 0.84 0.00 0.00 57.88 58.70 2dxc h LEU 113 Cb 0.11 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.02 2dxc h LEU 113 CO -0.14 0.37 0.64 -0.07 -0.34 0.00 0.00 178.44 178.90 2dxc h LEU 114 N -0.03 1.01 -0.80 2.25 3.38 -1.04 -1.67 115.31 118.41 2dxc h LEU 114 Ca 0.03 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 2dxc h LEU 114 Cb 0.27 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2dxc h LEU 114 CO 0.00 0.63 -0.59 0.74 0.09 0.00 0.00 178.44 179.32 2dxc h THR 115 N 1.14 1.39 -0.48 0.22 2.02 -1.04 -0.19 112.91 115.97 2dxc h THR 115 Ca 0.44 -2.03 -0.07 0.00 0.77 0.00 0.00 66.41 65.52 2dxc h THR 115 Cb 0.22 2.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 2dxc h THR 115 CO -0.19 0.57 0.01 0.00 0.37 0.00 0.00 175.52 176.29 2dxc h ALA 116 N 1.41 0.64 -0.73 6.16 0.00 -0.38 -0.63 119.26 125.73 2dxc h ALA 116 Ca -0.01 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 2dxc h ALA 116 Cb 1.06 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2dxc h ALA 116 CO 0.08 0.43 0.20 0.00 0.00 0.00 0.00 179.25 179.95 2dxc h ALA 117 N 0.93 0.97 -0.34 0.00 0.00 -1.11 -3.10 119.26 116.60 2dxc h ALA 117 Ca 0.14 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2dxc h ALA 117 Cb 0.49 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2dxc h ALA 117 CO 0.02 0.67 0.21 -0.09 0.00 0.00 0.00 179.25 180.07 2dxc h ARG 118 N 1.10 0.46 -0.86 0.00 9.65 -0.46 -2.92 114.38 121.35 2dxc h ARG 118 Ca 0.23 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 59.06 2dxc h ARG 118 Cb 0.35 -0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 28.79 2dxc h ARG 118 CO -0.00 0.34 0.48 0.97 2.80 0.00 0.00 179.97 184.56 2dxc h ILE 119 N 0.45 1.24 -1.01 1.20 -0.00 -1.07 0.18 117.51 118.51 2dxc h ILE 119 Ca 0.12 -0.58 0.04 0.00 -0.00 0.00 0.00 64.86 64.44 2dxc h ILE 119 Cb -0.01 0.07 -0.06 0.00 -0.00 0.00 0.00 36.82 36.82 2dxc h ILE 119 CO -0.02 0.27 0.66 -0.07 -0.00 0.00 0.00 178.15 178.99 2dxc h LEU 120 N 1.19 1.10 0.10 2.19 3.38 -1.47 -1.55 115.31 120.26 2dxc h LEU 120 Ca 0.30 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 58.10 2dxc h LEU 120 Cb 0.00 -0.25 0.02 0.00 0.09 0.00 0.00 40.66 40.52 2dxc h LEU 120 CO -0.05 0.75 -0.70 0.58 0.09 0.00 0.00 178.44 179.11 2dxc h VAL 121 N 1.28 1.52 -0.37 1.22 2.07 -1.23 0.21 116.25 120.95 2dxc h VAL 121 Ca 0.40 -2.43 -0.03 0.00 0.82 0.00 0.00 66.70 65.46 2dxc h VAL 121 Cb 0.00 3.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.86 2dxc h VAL 121 CO -0.13 0.69 0.08 0.44 0.02 0.00 0.00 177.57 178.67 2dxc h ASP 122 N -0.38 0.50 -0.54 0.57 3.32 -0.54 -1.65 116.42 117.70 2dxc h ASP 122 Ca -0.12 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.86 2dxc h ASP 122 Cb 1.52 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.94 2dxc h ASP 122 CO 0.13 0.51 0.00 0.29 -1.72 0.00 0.00 179.24 178.45 2dxc n LYS 123 N -4.33 3.24 -2.89 3.56 5.02 -0.59 -4.94 118.16 117.23 2dxc n LYS 123 Ca 0.02 -2.36 -0.20 0.00 -2.02 0.00 0.00 58.31 53.75 2dxc n LYS 123 Cb 0.19 -1.78 0.01 0.00 -0.02 0.00 0.00 35.03 33.43 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 0.91 -3.46 0.18 1.97 6.02 -0.62 -4.86 117.38 117.51 2dxc n GLN 124 Ca 0.21 0.76 0.07 0.00 -0.01 0.00 0.00 57.00 58.03 2dxc n GLN 124 Cb 0.75 -5.50 0.14 0.00 1.02 0.00 0.00 30.24 26.65 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 -0.78 0.00 -3.52 1.08 0.04 -0.85 -3.44 116.94 109.48 2dxc h PHE 125 Ca -0.45 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.16 2dxc h PHE 125 Cb 1.32 0.00 -0.22 0.00 2.20 0.00 0.00 35.95 39.25 2dxc h PHE 125 CO 0.60 0.30 -0.51 0.14 -0.60 0.00 0.00 178.31 178.24 2dxc s VAL 126 N -3.14 0.07 0.51 -0.55 -7.23 -0.82 -5.03 120.40 104.22 2dxc s VAL 126 Ca 0.04 -0.59 -0.07 0.00 -1.81 0.00 0.00 61.98 59.55 2dxc s VAL 126 Cb 0.07 -0.39 -0.04 0.00 0.56 0.00 0.00 36.38 36.58 2dxc s VAL 126 CO 0.70 -0.32 0.85 0.42 -0.31 0.00 0.00 175.10 176.44 2dxc s THR 127 N -1.14 4.85 0.47 5.32 -4.23 -1.26 -4.13 115.64 115.51 2dxc s THR 127 Ca -0.12 0.41 0.13 0.00 -1.18 0.00 0.00 61.69 60.93 2dxc s THR 127 Cb -0.07 -3.86 0.24 0.00 1.34 0.00 0.00 72.50 70.15 2dxc s THR 127 CO 0.01 -0.91 2.07 0.25 -0.54 0.00 0.00 174.62 175.50 2dxc h LEU 128 N 0.15 0.13 -0.54 4.79 5.85 -1.96 -1.68 115.31 122.05 2dxc h LEU 128 Ca -0.46 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.21 2dxc h LEU 128 Cb 1.20 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 2dxc h LEU 128 CO 0.62 0.16 0.19 0.74 -0.34 0.00 0.00 178.44 179.80 2dxc h THR 129 N 0.15 1.23 -0.61 1.05 2.02 -1.99 0.35 112.91 115.11 2dxc h THR 129 Ca 0.04 -0.75 -0.03 0.00 0.77 0.00 0.00 66.41 66.43 2dxc h THR 129 Cb 0.10 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 2dxc h THR 129 CO 0.00 0.28 0.25 -0.33 0.37 0.00 0.00 175.52 176.09 2dxc h GLU 130 N 0.75 0.88 -0.07 6.66 5.08 -1.70 0.29 114.58 126.47 2dxc h GLU 130 Ca 0.18 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2dxc h GLU 130 Cb 0.25 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 2dxc h GLU 130 CO -0.01 0.72 -0.03 1.25 -1.00 0.00 0.00 179.01 179.94 2dxc h LEU 131 N 0.87 0.15 -0.54 1.33 5.85 -0.95 -0.20 115.31 121.81 2dxc h LEU 131 Ca 0.21 -0.40 0.01 0.00 0.84 0.00 0.00 57.88 58.54 2dxc h LEU 131 Cb 0.16 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 2dxc h LEU 131 CO -0.02 0.51 0.35 0.45 -0.34 0.00 0.00 178.44 179.39 2dxc h HIS 132 N -0.21 0.66 -0.83 1.25 3.86 -0.62 -1.13 115.15 118.12 2dxc h HIS 132 Ca 0.02 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 2dxc h HIS 132 Cb 0.45 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.67 2dxc h HIS 132 CO 0.06 0.40 0.49 -0.91 0.86 0.00 0.00 177.93 178.83 2dxc h ASN 133 N 0.70 1.01 -0.68 2.45 2.35 -0.36 -2.26 115.58 118.80 2dxc h ASN 133 Ca 0.21 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 2dxc h ASN 133 Cb -0.04 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.04 2dxc h ASN 133 CO -0.06 0.79 0.23 0.50 -1.65 0.00 0.00 177.43 177.23 2dxc h LYS 134 N 1.14 1.06 -0.64 0.81 1.63 -0.42 -0.85 116.57 119.31 2dxc h LYS 134 Ca 0.30 -0.21 -0.02 0.00 -0.85 0.00 0.00 60.65 59.86 2dxc h LYS 134 Cb -0.02 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.42 2dxc h LYS 134 CO -0.05 0.90 0.30 0.82 -3.45 0.00 0.00 179.45 177.97 2dxc h ILE 135 N 1.02 1.22 -0.63 2.00 1.08 -0.85 -0.53 117.51 120.83 2dxc h ILE 135 Ca 0.23 -0.63 -0.01 0.00 -0.39 0.00 0.00 64.86 64.06 2dxc h ILE 135 Cb 0.27 0.46 -0.03 0.00 -3.07 0.00 0.00 36.82 34.45 2dxc h ILE 135 CO -0.01 0.26 0.34 0.58 -0.69 0.00 0.00 178.15 178.63 2dxc h VAL 136 N 0.88 1.20 -0.39 1.67 2.07 -0.99 -2.20 116.25 118.50 2dxc h VAL 136 Ca 0.22 -0.52 0.05 0.00 0.82 0.00 0.00 66.70 67.27 2dxc h VAL 136 Cb 0.13 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 2dxc h VAL 136 CO -0.03 0.22 0.14 -0.33 0.02 0.00 0.00 177.57 177.60 2dxc h GLU 137 N 0.86 0.29 -0.61 1.57 5.08 -0.39 -0.99 114.58 120.39 2dxc h GLU 137 Ca 0.22 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 2dxc h GLU 137 Cb 0.05 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 2dxc h GLU 137 CO -0.03 0.19 0.35 0.52 -1.00 0.00 0.00 179.01 179.04 2dxc h MET 138 N 0.30 0.84 -0.35 2.33 2.86 -0.85 -0.51 114.93 119.55 2dxc h MET 138 Ca 0.18 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 2dxc h MET 138 Cb 0.15 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 2dxc h MET 138 CO -0.18 0.63 0.19 0.00 1.06 0.00 0.00 176.91 178.61 2dxc h ARG 139 N 0.82 0.50 -0.41 1.72 3.08 -0.96 -2.20 114.38 116.93 2dxc h ARG 139 Ca 0.22 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.13 2dxc h ARG 139 Cb 0.02 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 2dxc h ARG 139 CO -0.04 0.42 -0.04 0.93 -1.07 0.00 0.00 179.97 180.17 2dxc h GLU 140 N 0.44 0.68 -0.62 0.04 5.08 -0.99 -0.02 114.58 119.20 2dxc h GLU 140 Ca 0.12 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2dxc h GLU 140 Cb 0.07 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2dxc h GLU 140 CO -0.02 0.73 0.39 -0.09 -1.00 0.00 0.00 179.01 179.02 2dxc h ARG 141 N 0.64 0.76 -0.05 2.33 2.43 -0.76 0.30 114.38 120.03 2dxc h ARG 141 Ca 0.12 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 2dxc h ARG 141 Cb 0.46 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2dxc h ARG 141 CO 0.02 0.50 -0.03 0.28 -1.51 0.00 0.00 179.97 179.24 2dxc h VAL 142 N 0.78 1.34 -0.44 0.20 2.07 -0.96 -0.17 116.25 119.07 2dxc h VAL 142 Ca 0.24 -1.08 0.04 0.00 0.82 0.00 0.00 66.70 66.72 2dxc h VAL 142 Cb -0.03 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 2dxc h VAL 142 CO -0.08 0.29 0.29 0.00 0.02 0.00 0.00 177.57 178.10 2dxc h ALA 143 N 0.59 1.85 -0.01 1.67 0.00 -0.77 -0.28 119.26 122.31 2dxc h ALA 143 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2dxc h ALA 143 Cb 0.49 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2dxc h ALA 143 CO 0.01 0.09 -0.06 -1.13 0.00 0.00 0.00 179.25 178.16 2dxc n SER 144 N -4.48 0.56 -0.29 0.00 3.41 0.07 -4.91 113.62 107.98 2dxc n SER 144 Ca 0.05 -0.87 -0.04 0.00 -0.26 0.00 0.00 58.87 57.75 2dxc n SER 144 Cb 0.18 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.07 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 1.19 0.67 0.02 5.00 0.00 -0.12 -4.90 105.19 107.06 2dxc n GLY 145 Ca 0.18 -0.82 0.16 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.83 0.97 0.00 1.61 6.02 -0.09 -4.50 117.38 118.56 2dxc n GLN 146 Ca -0.04 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 2dxc n GLN 146 Cb 0.13 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.89 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 1.03 -1.40 2.65 1.08 0.00 -1.23 -4.32 105.19 103.00 2dxc n GLY 147 Ca 0.23 -1.58 -0.22 0.00 0.00 0.00 0.00 46.02 44.45 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 -4.07 0.28 0.00 0.99 1.98 0.15 -4.26 118.68 113.75 2dxc s LEU 148 Ca 0.00 -1.63 0.00 0.00 -2.89 0.00 0.00 54.13 49.61 2dxc s LEU 148 Cb 0.00 0.18 0.00 0.00 0.66 0.00 0.00 46.19 47.03 2dxc s LEU 148 CO 0.00 -0.31 0.00 0.61 -1.89 0.00 0.00 176.35 174.76 2dxc n GLY 149 N 4.41 2.32 0.63 7.98 0.00 -1.26 -1.49 105.19 117.78 2dxc n GLY 149 Ca 0.08 -0.30 0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 1.83 0.03 1.61 0.28 -1.26 -3.95 120.64 133.19 2dxc n GLU 150 Ca 0.00 -1.25 -0.11 0.00 -0.16 0.00 0.00 57.16 55.64 2dxc n GLU 150 Cb 0.00 -1.41 -0.13 0.00 1.43 0.00 0.00 31.44 31.32 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 2.53 0.18 -2.65 -1.84 0.05 -1.71 -3.46 116.97 110.07 2dxc h TYR 151 Ca 0.00 -0.13 -0.16 0.00 0.05 0.00 0.00 58.73 58.49 2dxc h TYR 151 Cb 0.55 -0.01 -0.30 0.00 1.01 0.00 0.00 36.73 37.99 2dxc h TYR 151 CO 0.12 1.16 -0.45 -1.17 -1.05 0.00 0.00 178.16 176.77 2dxc s LEU 152 N -6.62 -0.48 0.54 3.88 2.96 -0.90 -4.96 118.68 113.09 2dxc s LEU 152 Ca -0.05 0.77 -0.18 0.00 -0.22 0.00 0.00 54.13 54.45 2dxc s LEU 152 Cb 0.08 1.03 -0.06 0.00 0.50 0.00 0.00 46.19 47.74 2dxc s LEU 152 CO 0.83 -0.24 1.04 -2.16 -1.32 0.00 0.00 176.35 174.50 2dxc s PRO 153 N 2.52 3.59 0.00 0.98 0.04 -1.26 0.31 135.00 141.18 2dxc s PRO 153 Ca 0.00 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.29 2dxc s PRO 153 Cb -0.12 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2dxc s PRO 153 CO -0.11 -0.59 0.41 -2.30 0.04 0.00 0.00 177.00 174.45