#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dxb h ILE 5 N 0.00 1.26 -0.96 2.46 2.04 -2.05 -2.80 117.51 117.46 2dxb h ILE 5 Ca 0.00 -0.95 0.02 0.00 1.00 0.00 0.00 64.86 64.93 2dxb h ILE 5 Cb 0.00 1.28 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 2dxb h ILE 5 CO 0.00 0.31 0.63 0.03 0.00 0.00 0.00 178.15 179.12 2dxb h ARG 6 N 0.32 1.24 -0.82 2.37 2.47 -2.05 0.64 114.38 118.54 2dxb h ARG 6 Ca 0.08 -0.07 -0.02 0.00 -1.26 0.00 0.00 59.98 58.71 2dxb h ARG 6 Cb 0.44 -0.28 -0.04 0.00 -1.65 0.00 0.00 29.97 28.44 2dxb h ARG 6 CO 0.02 0.82 0.43 0.93 0.56 0.00 0.00 179.97 182.72 2dxb h GLU 7 N 1.28 1.17 -0.23 0.04 5.08 -1.98 -0.47 114.58 119.46 2dxb h GLU 7 Ca 0.36 -0.15 -0.13 0.00 -1.00 0.00 0.00 59.36 58.44 2dxb h GLU 7 Cb -0.11 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 28.91 2dxb h GLU 7 CO -0.09 0.88 -0.38 1.49 -1.00 0.00 0.00 179.01 179.91 2dxb h GLU 8 N 1.16 0.52 0.14 2.33 4.81 -1.06 -1.33 114.58 121.16 2dxb h GLU 8 Ca 0.29 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2dxb h GLU 8 Cb 0.07 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 2dxb h GLU 8 CO -0.04 0.83 -0.07 0.28 -0.73 0.00 0.00 179.01 179.28 2dxb h VAL 9 N 0.44 0.90 -0.14 0.32 2.07 -0.20 -0.22 116.25 119.43 2dxb h VAL 9 Ca 0.04 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.31 2dxb h VAL 9 Cb 0.87 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 2dxb h VAL 9 CO 0.07 0.04 -0.29 0.45 0.02 0.00 0.00 177.57 177.86 2dxb h HIS 10 N -0.27 0.29 -0.58 1.57 3.86 -1.06 -1.36 115.15 117.60 2dxb h HIS 10 Ca -0.02 -0.06 -0.08 0.00 -1.16 0.00 0.00 60.37 59.05 2dxb h HIS 10 Cb 0.21 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 2dxb h HIS 10 CO -0.04 0.53 0.05 -0.09 0.86 0.00 0.00 177.93 179.24 2dxb h ARG 11 N 0.23 0.97 0.25 2.45 2.43 -1.03 -2.67 114.38 117.02 2dxb h ARG 11 Ca 0.03 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 58.93 2dxb h ARG 11 Cb 0.64 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2dxb h ARG 11 CO 0.05 0.92 -0.12 1.25 -1.51 0.00 0.00 179.97 180.56 2dxb h HIS 12 N 0.91 -0.32 -0.51 2.20 2.76 -0.12 -0.94 115.15 119.13 2dxb h HIS 12 Ca 0.18 -0.01 0.10 0.00 -2.20 0.00 0.00 60.37 58.44 2dxb h HIS 12 Cb 0.45 0.10 -0.03 0.00 1.55 0.00 0.00 27.41 29.49 2dxb h HIS 12 CO 0.03 -0.14 0.35 -0.07 -1.30 0.00 0.00 177.93 176.79 2dxb h LEU 13 N -0.41 0.24 0.06 0.26 3.38 -1.18 -1.47 115.31 116.19 2dxb h LEU 13 Ca -0.03 0.01 -0.29 0.00 0.09 0.00 0.00 57.88 57.66 2dxb h LEU 13 Cb 0.31 -0.04 0.02 0.00 0.09 0.00 0.00 40.66 41.04 2dxb h LEU 13 CO 0.06 0.14 -1.18 1.23 0.09 0.00 0.00 178.44 178.79 2dxb h GLY 14 N 0.27 0.68 1.07 0.83 0.00 -1.20 -3.33 103.07 101.38 2dxb h GLY 14 Ca 0.24 -1.36 -0.10 0.00 0.00 0.00 0.00 47.33 46.11 2dxb h GLY 14 CO -0.05 1.20 -0.04 -0.84 0.00 0.00 0.00 176.54 176.81 2dxb h THR 15 N 0.29 1.27 0.00 4.70 2.02 -0.21 -2.89 112.91 118.09 2dxb h THR 15 Ca -0.16 -1.18 0.00 0.00 0.77 0.00 0.00 66.41 65.84 2dxb h THR 15 Cb 1.84 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 69.16 2dxb h THR 15 CO 0.22 0.42 0.00 -0.37 0.37 0.00 0.00 175.52 176.16 2dxb h VAL 16 N 0.89 0.00 -0.12 3.16 -1.51 -1.44 -0.46 116.25 116.77 2dxb h VAL 16 Ca 0.15 -0.21 -0.05 0.00 -1.23 0.00 0.00 66.70 65.36 2dxb h VAL 16 Cb 0.60 1.18 -0.01 0.00 -2.13 0.00 0.00 31.29 30.92 2dxb h VAL 16 CO 0.04 0.00 -0.16 0.00 -1.23 0.00 0.00 177.57 176.21 2dxb h ALA 17 N 2.01 1.51 0.00 5.19 0.00 -1.62 -1.46 119.26 124.89 2dxb h ALA 17 Ca 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2dxb h ALA 17 Cb 0.22 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2dxb h ALA 17 CO 0.00 0.35 -0.10 -0.07 0.00 0.00 0.00 179.25 179.43 2dxb h LEU 18 N 0.18 0.00 -2.55 0.00 3.38 -1.19 -2.62 115.31 112.50 2dxb h LEU 18 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2dxb h LEU 18 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2dxb h LEU 18 CO 0.03 0.10 0.00 0.23 0.09 0.00 0.00 178.44 178.89 2dxb n MET 19 N -3.68 2.62 -1.68 1.13 2.81 -0.56 -4.96 117.12 112.80 2dxb n MET 19 Ca -0.02 -2.50 -0.50 0.00 -1.81 0.00 0.00 57.70 52.87 2dxb n MET 19 Cb 0.21 -1.55 -0.05 0.00 -0.71 0.00 0.00 33.22 31.13 2dxb n MET 19 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 2dxb n GLN 20 N 1.57 1.98 -1.61 0.03 -0.06 -0.99 -4.89 117.38 113.41 2dxb n GLN 20 Ca 0.23 0.72 -0.36 0.00 -2.00 0.00 0.00 57.00 55.58 2dxb n GLN 20 Cb 0.61 -2.57 0.08 0.00 -4.06 0.00 0.00 30.24 24.30 2dxb n GLN 20 CO 0.00 0.00 0.00 -2.14 -0.20 0.00 0.00 177.06 174.72 2dxb s PRO 21 N 4.14 2.35 0.12 3.69 0.02 -1.26 -5.03 135.00 139.03 2dxb s PRO 21 Ca 0.94 2.02 -0.25 0.00 0.02 0.00 0.00 61.00 63.74 2dxb s PRO 21 Cb -0.75 -1.83 0.08 0.00 0.02 0.00 0.00 34.50 32.02 2dxb s PRO 21 CO 0.54 -1.74 0.75 0.00 -0.33 0.00 0.00 177.00 176.21 2dxb s ALA 22 N -1.52 -1.64 -0.62 -1.55 0.00 -1.26 -5.08 121.76 110.09 2dxb s ALA 22 Ca 0.81 0.55 -0.15 0.00 0.00 0.00 0.00 51.96 53.17 2dxb s ALA 22 Cb -0.36 0.70 0.15 0.00 0.00 0.00 0.00 23.12 23.61 2dxb s ALA 22 CO 0.42 -0.80 0.57 -0.51 0.00 0.00 0.00 175.76 175.44 2dxb s LEU 23 N -2.69 6.34 -0.53 0.00 1.43 -1.26 -5.01 118.68 116.94 2dxb s LEU 23 Ca 0.05 -2.03 -0.19 0.00 -1.03 0.00 0.00 54.13 50.92 2dxb s LEU 23 Cb -0.02 -2.21 0.07 0.00 0.03 0.00 0.00 46.19 44.06 2dxb s LEU 23 CO -0.08 -0.78 0.67 -2.28 0.23 0.00 0.00 176.35 174.11 2dxb s HIS 24 N 1.22 3.01 -0.43 0.29 2.46 -1.26 -5.03 115.29 115.54 2dxb s HIS 24 Ca 0.07 -0.60 -0.10 0.00 0.47 0.00 0.00 55.06 54.90 2dxb s HIS 24 Cb -0.25 -3.70 0.08 0.00 -0.13 0.00 0.00 32.58 28.58 2dxb s HIS 24 CO -0.00 -1.13 0.29 -1.14 -2.47 0.00 0.00 174.74 170.29 2dxb s GLN 25 N 2.78 2.65 0.36 2.88 0.74 -1.26 -5.07 119.66 122.73 2dxb s GLN 25 Ca 0.15 -1.48 -0.27 0.00 0.05 0.00 0.00 55.36 53.81 2dxb s GLN 25 Cb -0.20 -3.85 -0.09 0.00 1.10 0.00 0.00 33.01 29.97 2dxb s GLN 25 CO 0.11 -0.99 1.26 -0.65 -0.55 0.00 0.00 175.29 174.46 2dxb s GLN 26 N 1.45 4.20 -0.22 1.67 -0.21 -1.26 -5.00 119.66 120.29 2dxb s GLN 26 Ca 0.03 2.08 -0.07 0.00 0.02 0.00 0.00 55.36 57.42 2dxb s GLN 26 Cb -0.24 -2.91 -0.03 0.00 1.00 0.00 0.00 33.01 30.84 2dxb s GLN 26 CO 0.02 -0.27 0.06 0.95 -2.12 0.00 0.00 175.29 173.94 2dxb s THR 27 N -1.24 4.40 -0.57 -0.19 -4.23 -1.26 -5.03 115.64 107.53 2dxb s THR 27 Ca 0.53 -0.15 0.06 0.00 -1.18 0.00 0.00 61.69 60.95 2dxb s THR 27 Cb -0.37 -3.03 0.27 0.00 1.34 0.00 0.00 72.50 70.72 2dxb s THR 27 CO 0.47 0.38 0.76 1.41 -0.54 0.00 0.00 174.62 177.10 2dxb n HIS 28 N 4.44 2.94 -3.34 3.99 8.25 -1.26 -4.93 115.22 125.31 2dxb n HIS 28 Ca -0.16 -4.02 -0.11 0.00 -0.26 0.00 0.00 57.72 53.17 2dxb n HIS 28 Cb 0.52 -0.51 0.01 0.00 1.12 0.00 0.00 29.99 31.13 2dxb n HIS 28 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dxb n ALA 29 N 0.67 -2.59 -0.81 -1.41 0.00 -1.26 -4.94 120.51 110.18 2dxb n ALA 29 Ca 0.29 -0.09 -0.31 0.00 0.00 0.00 0.00 53.44 53.33 2dxb n ALA 29 Cb 0.44 -1.96 0.16 0.00 0.00 0.00 0.00 19.45 18.08 2dxb n ALA 29 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2dxb s PRO 30 N -3.99 1.10 0.67 0.00 0.02 -1.26 -5.00 135.00 126.54 2dxb s PRO 30 Ca 0.10 1.40 -0.12 0.00 0.02 0.00 0.00 61.00 62.40 2dxb s PRO 30 Cb -0.03 -1.75 -0.01 0.00 0.02 0.00 0.00 34.50 32.74 2dxb s PRO 30 CO 0.80 -2.52 1.05 0.00 -0.33 0.00 0.00 177.00 176.00 2dxb s ALA 31 N -2.69 2.76 0.32 -1.55 0.00 -1.26 -4.92 121.76 114.42 2dxb s ALA 31 Ca 0.66 0.10 0.09 0.00 0.00 0.00 0.00 51.96 52.81 2dxb s ALA 31 Cb -0.22 -3.17 0.87 0.00 0.00 0.00 0.00 23.12 20.61 2dxb s ALA 31 CO 0.58 -1.06 1.74 -1.35 0.00 0.00 0.00 175.76 175.67 2dxb h PRO 32 N -0.46 0.59 0.00 0.00 0.11 -1.97 0.05 132.00 130.32 2dxb h PRO 32 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2dxb h PRO 32 Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2dxb h PRO 32 CO 0.58 0.39 0.00 0.25 -0.21 0.00 0.00 178.00 179.01 2dxb n THR 33 N -4.83 0.14 0.86 -1.15 -2.24 -1.26 -1.70 114.28 104.11 2dxb n THR 33 Ca 0.26 0.04 0.10 0.00 -2.27 0.00 0.00 64.05 62.17 2dxb n THR 33 Cb 0.72 -0.84 0.03 0.00 -2.10 0.00 0.00 70.33 68.14 2dxb n THR 33 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2dxb n GLU 34 N -1.06 1.61 -3.58 -0.78 -0.58 0.00 -4.87 120.64 111.39 2dxb n GLU 34 Ca 0.09 -1.24 -0.40 0.00 -0.42 0.00 0.00 57.16 55.18 2dxb n GLU 34 Cb 0.05 -1.39 -0.11 0.00 -0.57 0.00 0.00 31.44 29.43 2dxb n GLU 34 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2dxb s ILE 35 N -2.01 4.84 0.69 -3.67 1.09 -0.69 -5.01 121.20 116.45 2dxb s ILE 35 Ca 0.19 -0.58 -0.08 0.00 -1.10 0.00 0.00 60.65 59.08 2dxb s ILE 35 Cb 0.16 -3.59 0.05 0.00 -1.06 0.00 0.00 42.46 38.02 2dxb s ILE 35 CO 0.40 -0.12 1.02 0.42 -0.10 0.00 0.00 174.94 176.56 2dxb s THR 36 N 1.62 2.66 0.25 2.92 -4.23 -1.26 -4.85 115.64 112.75 2dxb s THR 36 Ca 0.04 -0.10 -0.06 0.00 -1.18 0.00 0.00 61.69 60.40 2dxb s THR 36 Cb -0.18 -3.15 0.25 0.00 1.34 0.00 0.00 72.50 70.76 2dxb s THR 36 CO 0.08 -0.17 1.93 -0.74 -0.54 0.00 0.00 174.62 175.18 2dxb h HIS 37 N -0.58 1.24 -0.64 3.99 2.76 -1.98 0.34 115.15 120.28 2dxb h HIS 37 Ca -0.45 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 57.79 2dxb h HIS 37 Cb 1.30 -0.42 -0.05 0.00 1.55 0.00 0.00 27.41 29.79 2dxb h HIS 37 CO 0.38 0.79 0.36 1.15 -1.30 0.00 0.00 177.93 179.31 2dxb h THR 38 N 1.33 0.99 -0.12 6.26 2.02 -1.99 -0.24 112.91 121.15 2dxb h THR 38 Ca 0.36 -0.23 -0.18 0.00 0.77 0.00 0.00 66.41 67.12 2dxb h THR 38 Cb -0.13 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 66.52 2dxb h THR 38 CO -0.07 0.12 -0.69 -0.07 0.37 0.00 0.00 175.52 175.18 2dxb h LEU 39 N 0.68 0.61 -0.64 2.58 3.38 -1.78 -1.79 115.31 118.35 2dxb h LEU 39 Ca 0.28 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2dxb h LEU 39 Cb 0.15 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2dxb h LEU 39 CO -0.16 1.12 0.37 0.15 0.09 0.00 0.00 178.44 180.00 2dxb h PHE 40 N 0.37 0.86 -0.44 1.13 3.57 -0.43 0.10 116.94 122.10 2dxb h PHE 40 Ca -0.02 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.37 2dxb h PHE 40 Cb 1.26 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 2dxb h PHE 40 CO 0.05 0.61 -0.08 -0.09 -2.23 0.00 0.00 178.31 176.57 2dxb h ARG 41 N 0.87 0.84 -0.57 1.11 2.43 -1.01 -1.36 114.38 116.69 2dxb h ARG 41 Ca 0.23 -0.30 -0.06 0.00 -0.81 0.00 0.00 59.98 59.03 2dxb h ARG 41 Cb 0.01 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 2dxb h ARG 41 CO -0.04 0.93 0.09 0.00 -1.51 0.00 0.00 179.97 179.45 2dxb h ALA 42 N 0.88 1.10 0.03 2.80 0.00 -0.88 -2.18 119.26 121.00 2dxb h ALA 42 Ca 0.12 -0.24 -0.22 0.00 0.00 0.00 0.00 54.91 54.57 2dxb h ALA 42 Cb 0.60 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2dxb h ALA 42 CO 0.04 0.59 -0.97 1.88 0.00 0.00 0.00 179.25 180.79 2dxb h TYR 43 N 0.85 0.38 -0.12 0.00 0.05 -0.71 -3.28 116.97 114.15 2dxb h TYR 43 Ca 0.18 -0.22 0.00 0.00 0.05 0.00 0.00 58.73 58.73 2dxb h TYR 43 Cb 0.37 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.08 2dxb h TYR 43 CO 0.02 1.07 0.00 0.25 -1.05 0.00 0.00 178.16 178.45 2dxb n THR 44 N -3.63 0.14 -0.71 -2.88 -2.24 -0.52 -4.94 114.28 99.49 2dxb n THR 44 Ca -0.05 -0.33 -0.30 0.00 -2.27 0.00 0.00 64.05 61.10 2dxb n THR 44 Cb 0.86 0.46 0.18 0.00 -2.10 0.00 0.00 70.33 69.74 2dxb n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dxb s ARG 45 N -1.86 0.55 -0.23 -0.78 1.70 -0.83 -4.98 118.95 112.52 2dxb s ARG 45 Ca 0.34 1.29 -0.17 0.00 -0.47 0.00 0.00 55.73 56.72 2dxb s ARG 45 Cb 0.19 -1.69 -0.03 0.00 -0.57 0.00 0.00 34.95 32.85 2dxb s ARG 45 CO 0.29 -2.87 0.47 0.14 -1.08 0.00 0.00 175.30 172.26 2dxb s VAL 46 N -2.63 5.12 0.53 4.99 -7.23 -1.26 -4.97 120.40 114.95 2dxb s VAL 46 Ca 0.67 0.82 0.36 0.00 -1.81 0.00 0.00 61.98 62.02 2dxb s VAL 46 Cb -0.23 -3.79 0.55 0.00 0.56 0.00 0.00 36.38 33.47 2dxb s VAL 46 CO 0.60 0.16 1.77 -0.65 -0.31 0.00 0.00 175.10 176.67 2dxb h PRO 47 N 7.74 0.04 0.00 4.82 0.11 -1.82 -2.29 132.00 140.60 2dxb h PRO 47 Ca -0.32 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2dxb h PRO 47 Cb 1.15 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2dxb h PRO 47 CO 0.71 0.03 0.00 1.12 -0.21 0.00 0.00 178.00 179.65 2dxb h HIS 48 N 0.04 0.00 -1.04 0.65 2.07 -1.90 -3.40 115.15 111.57 2dxb h HIS 48 Ca 0.61 0.00 -0.68 0.00 -2.85 0.00 0.00 60.37 57.46 2dxb h HIS 48 Cb 2.34 0.00 -0.09 0.00 2.57 0.00 0.00 27.41 32.23 2dxb h HIS 48 CO -0.00 0.00 2.03 0.34 -3.07 0.00 0.00 177.93 177.23 2dxb s ASP 49 N -4.72 6.82 0.00 3.10 2.15 -0.86 -4.69 116.67 118.47 2dxb s ASP 49 Ca 0.06 -2.39 0.14 0.00 0.43 0.00 0.00 52.55 50.79 2dxb s ASP 49 Cb 0.10 -2.56 0.01 0.00 -0.30 0.00 0.00 42.92 40.17 2dxb s ASP 49 CO 0.51 -1.16 0.79 1.33 -0.17 0.00 0.00 175.17 176.46 2dxb n VAL 50 N 6.26 0.00 -1.68 1.11 0.24 -1.26 -4.99 118.33 118.01 2dxb n VAL 50 Ca 0.46 -0.37 -0.45 0.00 -2.04 0.00 0.00 64.34 61.93 2dxb n VAL 50 Cb 0.46 1.18 -0.04 0.00 -1.47 0.00 0.00 33.84 33.97 2dxb n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dxb n GLY 51 N 1.02 1.33 0.00 7.63 0.00 -1.26 -2.11 105.19 111.79 2dxb n GLY 51 Ca 0.06 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.78 2dxb n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dxb n GLY 52 N 3.80 2.76 3.76 -0.02 0.00 -1.26 -5.06 105.19 109.18 2dxb n GLY 52 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2dxb n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dxb s GLU 53 N -0.96 4.38 0.37 1.61 2.02 -0.90 -4.96 118.70 120.26 2dxb s GLU 53 Ca 0.00 2.17 -0.27 0.00 0.02 0.00 0.00 54.97 56.89 2dxb s GLU 53 Cb 0.00 -3.10 -0.09 0.00 0.10 0.00 0.00 34.13 31.04 2dxb s GLU 53 CO 0.00 -0.18 1.29 0.00 0.02 0.00 0.00 175.26 176.38 2dxb s ALA 54 N -0.87 3.36 0.16 5.21 0.00 -1.26 -5.02 121.76 123.34 2dxb s ALA 54 Ca 0.51 1.21 -0.16 0.00 0.00 0.00 0.00 51.96 53.51 2dxb s ALA 54 Cb -0.39 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 19.29 2dxb s ALA 54 CO 0.49 -0.70 0.45 0.34 0.00 0.00 0.00 175.76 176.35 2dxb s ASP 55 N -0.67 -0.23 0.65 0.00 -1.08 -1.26 -5.18 116.67 108.90 2dxb s ASP 55 Ca 0.53 -0.44 -0.01 0.00 -0.52 0.00 0.00 52.55 52.11 2dxb s ASP 55 Cb -0.38 0.52 0.08 0.00 -1.46 0.00 0.00 42.92 41.68 2dxb s ASP 55 CO 0.49 -0.95 0.91 0.68 0.52 0.00 0.00 175.17 176.82 2dxb s VAL 56 N -3.85 2.39 0.10 1.11 -7.23 -1.26 -5.06 120.40 106.59 2dxb s VAL 56 Ca 0.07 -0.54 -0.25 0.00 -1.81 0.00 0.00 61.98 59.45 2dxb s VAL 56 Cb 0.01 -2.84 -0.06 0.00 0.56 0.00 0.00 36.38 34.04 2dxb s VAL 56 CO -0.07 0.00 0.78 -2.84 -0.31 0.00 0.00 175.10 172.66 2dxb s PRO 57 N -5.02 4.53 0.03 4.82 0.02 -1.26 -5.05 135.00 133.07 2dxb s PRO 57 Ca 0.61 1.12 0.02 0.00 0.02 0.00 0.00 61.00 62.77 2dxb s PRO 57 Cb -0.09 -3.32 -0.02 0.00 0.02 0.00 0.00 34.50 31.09 2dxb s PRO 57 CO 0.42 0.40 -0.07 0.96 -0.33 0.00 0.00 177.00 178.38 2dxb s ILE 58 N -0.49 0.52 -0.48 2.83 -0.00 -1.26 -5.09 121.20 117.22 2dxb s ILE 58 Ca 0.38 -0.83 -0.28 0.00 -0.00 0.00 0.00 60.65 59.91 2dxb s ILE 58 Cb -0.22 -0.54 0.00 0.00 -0.00 0.00 0.00 42.46 41.70 2dxb s ILE 58 CO 0.25 -0.23 1.54 -0.70 -0.00 0.00 0.00 174.94 175.79 2dxb s GLU 59 N -1.15 3.30 0.36 0.37 2.12 -1.26 -4.96 118.70 117.48 2dxb s GLU 59 Ca -0.06 0.79 -0.28 0.00 0.36 0.00 0.00 54.97 55.77 2dxb s GLU 59 Cb -0.08 -4.14 -0.11 0.00 0.26 0.00 0.00 34.13 30.06 2dxb s GLU 59 CO 0.00 -1.92 1.42 0.71 -0.54 0.00 0.00 175.26 174.93 2dxb s TYR 60 N 6.41 2.77 0.19 5.30 2.02 -1.26 -5.03 117.35 127.76 2dxb s TYR 60 Ca 0.62 1.26 0.06 0.00 -0.37 0.00 0.00 57.07 58.63 2dxb s TYR 60 Cb -0.14 -3.89 -0.05 0.00 -0.40 0.00 0.00 41.96 37.49 2dxb s TYR 60 CO 0.28 -2.55 -0.09 -3.38 -1.57 0.00 0.00 175.55 168.24 2dxb s HIS 61 N -1.10 1.52 0.54 2.71 -3.43 -1.26 -5.15 115.29 109.12 2dxb s HIS 61 Ca 0.51 -0.72 0.02 0.00 -0.80 0.00 0.00 55.06 54.07 2dxb s HIS 61 Cb -0.44 -0.78 0.04 0.00 -1.43 0.00 0.00 32.58 29.97 2dxb s HIS 61 CO 0.59 0.17 0.76 -1.21 -2.00 0.00 0.00 174.74 173.04 2dxb s GLU 62 N -3.73 2.52 -0.13 -0.38 0.41 -1.26 -5.12 118.70 111.01 2dxb s GLU 62 Ca 0.22 -0.90 -0.09 0.00 -0.41 0.00 0.00 54.97 53.79 2dxb s GLU 62 Cb 0.02 -2.52 0.04 0.00 -1.78 0.00 0.00 34.13 29.89 2dxb s GLU 62 CO 0.05 -0.70 0.31 0.21 -0.49 0.00 0.00 175.26 174.65 2dxb s LYS 63 N -4.72 0.32 0.47 1.61 2.20 -1.26 -5.14 119.74 113.22 2dxb s LYS 63 Ca 0.58 0.55 -0.23 0.00 -0.36 0.00 0.00 55.97 56.51 2dxb s LYS 63 Cb -0.10 0.03 -0.07 0.00 -1.51 0.00 0.00 37.83 36.18 2dxb s LYS 63 CO 0.38 -0.11 1.23 -1.21 -0.36 0.00 0.00 175.35 175.28 2dxb s GLU 64 N 0.84 3.62 0.12 4.03 2.02 -1.26 -4.97 118.70 123.09 2dxb s GLU 64 Ca -0.05 1.94 -0.29 0.00 0.02 0.00 0.00 54.97 56.59 2dxb s GLU 64 Cb -0.06 -2.41 -0.06 0.00 0.10 0.00 0.00 34.13 31.69 2dxb s GLU 64 CO -0.06 -0.71 0.91 -2.00 0.02 0.00 0.00 175.26 173.42 2dxb s GLU 65 N -2.69 4.67 0.46 1.61 2.12 -1.26 -5.04 118.70 118.58 2dxb s GLU 65 Ca 0.65 1.36 -0.19 0.00 0.36 0.00 0.00 54.97 57.15 2dxb s GLU 65 Cb -0.33 -3.35 -0.10 0.00 0.26 0.00 0.00 34.13 30.61 2dxb s GLU 65 CO 0.40 0.29 0.96 -1.21 -0.54 0.00 0.00 175.26 175.15 2dxb s GLU 66 N -0.23 4.10 0.19 4.30 0.41 -1.26 -4.96 118.70 121.25 2dxb s GLU 66 Ca 0.44 1.03 -0.11 0.00 -0.41 0.00 0.00 54.97 55.92 2dxb s GLU 66 Cb -0.23 -2.17 0.19 0.00 -1.78 0.00 0.00 34.13 30.14 2dxb s GLU 66 CO 0.29 -0.12 1.78 0.82 -0.49 0.00 0.00 175.26 177.53 2dxb h ILE 67 N 1.50 0.91 0.00 -1.63 1.08 -2.00 -1.93 117.51 115.44 2dxb h ILE 67 Ca -0.48 -0.17 -0.05 0.00 -0.39 0.00 0.00 64.86 63.77 2dxb h ILE 67 Cb 1.18 0.36 -0.01 0.00 -3.07 0.00 0.00 36.82 35.28 2dxb h ILE 67 CO 0.61 0.09 -0.24 4.11 -0.69 0.00 0.00 178.15 182.03 2dxb h TRP 68 N 0.51 0.00 -0.28 1.37 5.08 -1.98 -1.77 115.95 118.87 2dxb h TRP 68 Ca 0.26 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 60.12 2dxb h TRP 68 Cb 0.21 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.36 2dxb h TRP 68 CO -0.11 0.24 -0.24 0.93 -1.28 0.00 0.00 178.44 177.98 2dxb h GLU 69 N 0.00 0.66 -0.55 0.12 5.08 -1.74 0.16 114.58 118.30 2dxb h GLU 69 Ca -0.00 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.01 2dxb h GLU 69 Cb 0.47 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 2dxb h GLU 69 CO 0.03 0.93 0.26 1.25 -1.00 0.00 0.00 179.01 180.49 2dxb h LEU 70 N 0.40 0.73 -1.05 1.33 6.46 -1.13 0.16 115.31 122.20 2dxb h LEU 70 Ca 0.05 -0.13 -0.07 0.00 -0.12 0.00 0.00 57.88 57.60 2dxb h LEU 70 Cb 0.79 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.52 2dxb h LEU 70 CO 0.06 0.66 -0.12 0.78 -0.62 0.00 0.00 178.44 179.20 2dxb h ASN 71 N 0.75 0.52 -0.19 1.25 2.35 -1.16 -1.76 115.58 117.35 2dxb h ASN 71 Ca 0.19 -0.14 -0.05 0.00 -0.55 0.00 0.00 56.30 55.76 2dxb h ASN 71 Cb 0.12 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 2dxb h ASN 71 CO -0.02 0.67 -0.06 0.74 -1.65 0.00 0.00 177.43 177.11 2dxb h THR 72 N 0.50 1.30 -0.59 2.81 2.02 -0.16 -1.32 112.91 117.47 2dxb h THR 72 Ca 0.09 -1.07 0.03 0.00 0.77 0.00 0.00 66.41 66.23 2dxb h THR 72 Cb 0.50 1.61 -0.04 0.00 -1.74 0.00 0.00 68.15 68.49 2dxb h THR 72 CO 0.03 0.32 0.35 0.15 0.37 0.00 0.00 175.52 176.75 2dxb h PHE 73 N 0.08 0.66 -0.74 3.16 3.57 -0.79 -0.63 116.94 122.25 2dxb h PHE 73 Ca 0.05 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 2dxb h PHE 73 Cb 0.52 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 2dxb h PHE 73 CO 0.06 0.37 0.24 0.00 -2.23 0.00 0.00 178.31 176.75 2dxb h ALA 74 N 1.27 1.04 -0.12 2.41 0.00 -1.25 -1.97 119.26 120.63 2dxb h ALA 74 Ca 0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2dxb h ALA 74 Cb 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2dxb h ALA 74 CO -0.11 0.65 0.06 1.15 0.00 0.00 0.00 179.25 181.00 2dxb h THR 75 N 1.09 1.13 -0.67 0.00 2.02 -0.59 -0.23 112.91 115.66 2dxb h THR 75 Ca 0.24 -0.38 0.01 0.00 0.77 0.00 0.00 66.41 67.05 2dxb h THR 75 Cb 0.29 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 2dxb h THR 75 CO -0.01 0.12 0.44 0.00 0.37 0.00 0.00 175.52 176.44 2dxb h GLU 77 N 0.90 0.46 -0.32 0.00 4.39 -1.28 -2.62 114.58 116.11 2dxb h GLU 77 Ca 0.25 -0.27 -0.13 0.00 0.34 0.00 0.00 59.36 59.55 2dxb h GLU 77 Cb -0.09 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 2dxb h GLU 77 CO -0.06 0.86 -0.34 0.00 -1.16 0.00 0.00 179.01 178.31 2dxb h LEU 79 N 0.60 0.61 -0.04 0.00 3.38 -0.79 -0.66 115.31 118.40 2dxb h LEU 79 Ca 0.06 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 2dxb h LEU 79 Cb 0.86 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.46 2dxb h LEU 79 CO 0.07 0.65 -0.51 0.00 0.09 0.00 0.00 178.44 178.74 2dxb h ALA 80 N 1.43 0.12 -0.60 1.53 0.00 -1.07 0.21 119.26 120.87 2dxb h ALA 80 Ca 0.13 -0.53 0.11 0.00 0.00 0.00 0.00 54.91 54.63 2dxb h ALA 80 Cb 0.33 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.05 2dxb h ALA 80 CO 0.01 0.32 0.14 2.35 0.00 0.00 0.00 179.25 182.07 2dxb h TRP 81 N -0.07 0.22 -0.27 0.00 7.01 -0.00 -0.90 115.95 121.93 2dxb h TRP 81 Ca -0.05 0.04 -0.03 0.00 2.11 0.00 0.00 58.89 60.95 2dxb h TRP 81 Cb 1.20 -0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 28.23 2dxb h TRP 81 CO 0.14 -0.02 0.04 0.54 -2.79 0.00 0.00 178.44 176.34 2dxb n ARG 82 N -5.12 2.53 -1.22 2.65 5.12 -0.28 -4.92 116.66 115.42 2dxb n ARG 82 Ca 0.09 -1.34 -0.08 0.00 -1.93 0.00 0.00 57.85 54.59 2dxb n ARG 82 Cb 0.32 -1.79 -0.03 0.00 -1.16 0.00 0.00 32.46 29.80 2dxb n ARG 82 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dxb n GLY 83 N 0.20 0.92 0.17 -0.13 0.00 -0.34 -4.89 105.19 101.12 2dxb n GLY 83 Ca 0.14 -0.34 -0.00 0.00 0.00 0.00 0.00 46.02 45.82 2dxb n GLY 83 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2dxb h VAL 84 N 0.00 1.34 -2.40 1.61 2.07 -0.80 -3.47 116.25 114.61 2dxb h VAL 84 Ca -0.16 -1.62 0.17 0.00 0.82 0.00 0.00 66.70 65.91 2dxb h VAL 84 Cb 0.68 1.83 -0.07 0.00 -1.52 0.00 0.00 31.29 32.21 2dxb h VAL 84 CO 0.23 0.47 0.48 -1.66 0.02 0.00 0.00 177.57 177.11 2dxb s TRP 85 N -3.99 -0.10 0.34 1.57 -2.14 -1.23 -5.01 118.94 108.37 2dxb s TRP 85 Ca -0.03 -0.23 0.08 0.00 2.66 0.00 0.00 56.10 58.58 2dxb s TRP 85 Cb 0.13 0.65 -0.03 0.00 -3.10 0.00 0.00 33.47 31.13 2dxb s TRP 85 CO 0.75 -0.87 0.29 0.95 -2.66 0.00 0.00 176.95 175.41 2dxb s THR 86 N -3.17 3.40 0.38 0.66 -4.23 -1.26 -4.10 115.64 107.32 2dxb s THR 86 Ca 0.13 -1.40 0.06 0.00 -1.18 0.00 0.00 61.69 59.30 2dxb s THR 86 Cb -0.02 -3.15 0.23 0.00 1.34 0.00 0.00 72.50 70.90 2dxb s THR 86 CO 0.03 -0.16 1.99 0.00 -0.54 0.00 0.00 174.62 175.94 2dxb h ALA 87 N 1.25 1.57 -0.33 3.99 0.00 -1.96 -2.27 119.26 121.52 2dxb h ALA 87 Ca -0.44 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.28 2dxb h ALA 87 Cb 1.25 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2dxb h ALA 87 CO 0.59 0.34 -0.18 0.93 0.00 0.00 0.00 179.25 180.93 2dxb h GLU 88 N 0.55 0.60 -0.46 0.00 4.39 -1.99 0.85 114.58 118.52 2dxb h GLU 88 Ca 0.14 -0.21 -0.12 0.00 0.34 0.00 0.00 59.36 59.52 2dxb h GLU 88 Cb 0.08 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 2dxb h GLU 88 CO -0.02 0.75 -0.17 0.93 -1.16 0.00 0.00 179.01 179.34 2dxb h GLU 89 N 0.54 0.90 0.02 2.33 5.08 -1.84 -1.87 114.58 119.75 2dxb h GLU 89 Ca 0.09 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 2dxb h GLU 89 Cb 0.61 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2dxb h GLU 89 CO 0.04 1.00 -0.01 -0.09 -1.00 0.00 0.00 179.01 178.95 2dxb h ARG 90 N 0.79 -0.03 -0.74 2.33 2.43 -0.87 -1.83 114.38 116.46 2dxb h ARG 90 Ca 0.12 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.35 2dxb h ARG 90 Cb 0.71 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.21 2dxb h ARG 90 CO 0.05 0.09 0.44 0.00 -1.51 0.00 0.00 179.97 179.05 2dxb h ARG 91 N -0.15 0.79 -0.58 0.20 3.08 -0.73 0.45 114.38 117.44 2dxb h ARG 91 Ca -0.00 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 2dxb h ARG 91 Cb 0.14 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 2dxb h ARG 91 CO 0.01 0.52 0.25 -0.09 -1.07 0.00 0.00 179.97 179.58 2dxb h ARG 92 N 0.81 0.86 -0.13 0.04 1.12 -1.20 0.23 114.38 116.11 2dxb h ARG 92 Ca 0.33 -0.15 -0.20 0.00 -1.11 0.00 0.00 59.98 58.85 2dxb h ARG 92 Cb 0.17 -0.14 0.01 0.00 -0.01 0.00 0.00 29.97 30.00 2dxb h ARG 92 CO -0.17 0.73 -0.72 0.87 -3.11 0.00 0.00 179.97 177.57 2dxb h LYS 93 N 0.80 0.71 0.02 0.20 1.57 -0.81 -0.33 116.57 118.72 2dxb h LYS 93 Ca 0.20 -0.59 -0.11 0.00 -1.87 0.00 0.00 60.65 58.27 2dxb h LYS 93 Cb 0.18 0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.62 2dxb h LYS 93 CO -0.02 1.20 -0.45 0.37 -0.57 0.00 0.00 179.45 179.99 2dxb h GLN 94 N 0.40 0.27 -0.01 3.15 4.15 -0.03 -3.09 115.11 119.94 2dxb h GLN 94 Ca -0.05 -0.31 0.00 0.00 0.77 0.00 0.00 58.65 59.05 2dxb h GLN 94 Cb 1.35 0.10 0.00 0.00 0.21 0.00 0.00 27.48 29.14 2dxb h GLN 94 CO 0.15 1.04 -0.59 0.09 -1.93 0.00 0.00 178.83 177.58 2dxb n ASN 95 N -4.35 1.64 0.05 -0.69 3.02 0.81 -4.49 115.26 111.25 2dxb n ASN 95 Ca -0.11 -1.29 0.00 0.00 -0.03 0.00 0.00 54.58 53.15 2dxb n ASN 95 Cb 0.61 0.57 0.00 0.00 -0.61 0.00 0.00 39.78 40.36 2dxb n ASN 95 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dxb h ASP 97 N 0.00 0.00 0.34 0.00 3.32 -1.05 -2.06 116.42 116.98 2dxb h ASP 97 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2dxb h ASP 97 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 2dxb h ASP 97 CO 0.00 0.00 0.00 -0.37 -1.72 0.00 0.00 179.24 177.15 2dxb h VAL 98 N 0.00 0.00 0.00 -1.35 -1.51 -1.76 -3.48 116.25 108.14 2dxb h VAL 98 Ca 0.11 -0.14 0.00 0.00 -1.23 0.00 0.00 66.70 65.44 2dxb h VAL 98 Cb 0.55 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 30.60 2dxb h VAL 98 CO -0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 2dxb n GLY 99 N -0.71 -1.68 0.24 5.19 0.00 -0.77 -4.37 105.19 103.09 2dxb n GLY 99 Ca -0.01 -1.48 -0.03 0.00 0.00 0.00 0.00 46.02 44.50 2dxb n GLY 99 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2dxb h GLN 100 N 0.00 -0.05 0.51 1.61 5.75 -1.93 -0.82 115.11 120.17 2dxb h GLN 100 Ca 0.00 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.48 2dxb h GLN 100 Cb 0.00 0.01 0.01 0.00 1.07 0.00 0.00 27.48 28.57 2dxb h GLN 100 CO 0.00 -0.04 -0.25 1.15 -2.65 0.00 0.00 178.83 177.05 2dxb h THR 101 N -0.06 0.50 -0.69 2.39 2.02 -2.00 -2.85 112.91 112.22 2dxb h THR 101 Ca 0.24 -0.04 -0.05 0.00 0.77 0.00 0.00 66.41 67.33 2dxb h THR 101 Cb 0.43 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 2dxb h THR 101 CO -0.56 0.01 0.22 0.58 0.37 0.00 0.00 175.52 176.14 2dxb h VAL 102 N -0.71 1.25 -0.99 3.16 2.07 -1.75 0.14 116.25 119.42 2dxb h VAL 102 Ca -0.07 -0.85 0.18 0.00 0.82 0.00 0.00 66.70 66.79 2dxb h VAL 102 Cb 0.54 0.48 -0.10 0.00 -1.52 0.00 0.00 31.29 30.69 2dxb h VAL 102 CO 0.12 0.33 0.61 0.22 0.02 0.00 0.00 177.57 178.87 2dxb h TYR 103 N 1.01 0.97 0.00 1.57 3.20 -0.99 -1.23 116.97 121.51 2dxb h TYR 103 Ca 0.23 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.13 2dxb h TYR 103 Cb 0.27 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.25 2dxb h TYR 103 CO 0.02 0.25 -1.18 1.28 -1.64 0.00 0.00 178.16 176.89 2dxb n LEU 104 N -4.69 0.19 0.02 2.82 4.77 -1.09 -4.59 117.00 114.43 2dxb n LEU 104 Ca 0.22 -0.18 -0.08 0.00 -0.03 0.00 0.00 56.01 55.94 2dxb n LEU 104 Cb 0.57 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.53 2dxb n LEU 104 CO 0.24 0.05 -0.16 1.23 -1.33 0.00 0.00 177.39 177.42 2dxb h GLY 105 N 2.32 0.00 -2.43 -0.72 0.00 -0.50 -3.47 103.07 98.27 2dxb h GLY 105 Ca 0.00 -0.01 -0.44 0.00 0.00 0.00 0.00 47.33 46.88 2dxb h GLY 105 CO 0.00 0.01 -0.21 1.06 0.00 0.00 0.00 176.54 177.39 2dxb s MET 106 N -2.66 2.97 0.53 4.80 -1.94 -0.49 -5.04 119.30 117.48 2dxb s MET 106 Ca -0.02 -0.86 -0.17 0.00 -1.71 0.00 0.00 55.69 52.93 2dxb s MET 106 Cb 0.09 -2.69 -0.07 0.00 2.01 0.00 0.00 34.83 34.18 2dxb s MET 106 CO 0.82 -0.20 1.02 -2.14 -0.01 0.00 0.00 175.02 174.50 2dxb s PRO 107 N -4.40 3.72 0.07 2.03 0.02 -1.26 -4.91 135.00 130.27 2dxb s PRO 107 Ca 0.49 1.10 -0.17 0.00 0.02 0.00 0.00 61.00 62.44 2dxb s PRO 107 Cb -0.10 -2.10 -0.05 0.00 0.02 0.00 0.00 34.50 32.27 2dxb s PRO 107 CO 0.34 -0.47 1.29 -0.92 -0.33 0.00 0.00 177.00 176.92 2dxb h TYR 108 N 0.88 -0.95 0.00 6.54 3.20 -1.97 0.32 116.97 124.99 2dxb h TYR 108 Ca -0.47 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.45 2dxb h TYR 108 Cb 1.20 0.45 0.00 0.00 1.54 0.00 0.00 36.73 39.92 2dxb h TYR 108 CO 0.61 -0.25 0.00 0.66 -1.64 0.00 0.00 178.16 177.54 2dxb n TYR 109 N -4.16 0.79 -0.10 -3.82 4.01 -1.26 -1.90 117.16 110.73 2dxb n TYR 109 Ca -0.01 0.30 -0.06 0.00 -0.16 0.00 0.00 57.90 57.97 2dxb n TYR 109 Cb 0.17 -0.99 0.13 0.00 -0.31 0.00 0.00 39.34 38.35 2dxb n TYR 109 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2dxb h GLY 110 N 2.50 0.83 1.54 2.72 0.00 -1.34 -1.45 103.07 107.87 2dxb h GLY 110 Ca 0.00 -0.62 -0.17 0.00 0.00 0.00 0.00 47.33 46.54 2dxb h GLY 110 CO 0.00 0.57 -0.63 3.21 0.00 0.00 0.00 176.54 179.69 2dxb h ARG 111 N 0.70 0.47 -0.47 4.80 3.08 -0.60 -1.80 114.38 120.57 2dxb h ARG 111 Ca 0.12 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 59.83 2dxb h ARG 111 Cb 0.57 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 2dxb h ARG 111 CO 0.04 0.95 0.26 -1.49 -1.07 0.00 0.00 179.97 178.65 2dxb h TRP 112 N 0.34 0.64 -0.11 3.04 4.06 -1.32 -1.97 115.95 120.64 2dxb h TRP 112 Ca -0.01 -0.01 -0.02 0.00 2.06 0.00 0.00 58.89 60.91 2dxb h TRP 112 Cb 1.18 -0.20 -0.00 0.00 -1.00 0.00 0.00 29.16 29.13 2dxb h TRP 112 CO 0.04 0.47 -0.01 1.25 -3.56 0.00 0.00 178.44 176.63 2dxb h LEU 113 N 0.62 0.20 -1.27 -4.49 5.85 -1.18 -1.51 115.31 113.53 2dxb h LEU 113 Ca 0.16 -0.34 0.07 0.00 0.84 0.00 0.00 57.88 58.62 2dxb h LEU 113 Cb 0.04 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 2dxb h LEU 113 CO -0.03 0.49 0.53 -0.07 -0.34 0.00 0.00 178.44 179.03 2dxb h LEU 114 N -0.09 0.77 -0.33 2.25 3.38 -1.28 -1.75 115.31 118.25 2dxb h LEU 114 Ca 0.03 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 2dxb h LEU 114 Cb 0.39 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2dxb h LEU 114 CO 0.01 0.49 -0.64 0.74 0.09 0.00 0.00 178.44 179.12 2dxb h THR 115 N 0.87 1.22 -0.47 0.22 2.02 -1.23 -0.08 112.91 115.45 2dxb h THR 115 Ca 0.36 -2.41 -0.14 0.00 0.77 0.00 0.00 66.41 64.99 2dxb h THR 115 Cb 0.28 2.40 -0.01 0.00 -1.74 0.00 0.00 68.15 69.07 2dxb h THR 115 CO -0.13 0.63 -0.24 0.00 0.37 0.00 0.00 175.52 176.15 2dxb h ALA 116 N 1.36 0.66 -0.47 6.16 0.00 -0.45 -0.67 119.26 125.84 2dxb h ALA 116 Ca -0.01 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.37 2dxb h ALA 116 Cb 1.35 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2dxb h ALA 116 CO 0.08 0.67 -0.20 0.00 0.00 0.00 0.00 179.25 179.80 2dxb h ALA 117 N 0.85 0.66 -0.36 0.00 0.00 -1.21 -3.16 119.26 116.03 2dxb h ALA 117 Ca 0.10 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.67 2dxb h ALA 117 Cb 0.82 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 2dxb h ALA 117 CO 0.07 0.64 0.13 -0.09 0.00 0.00 0.00 179.25 180.00 2dxb h ARG 118 N 0.82 0.28 -0.40 0.00 9.65 -0.65 -2.73 114.38 121.35 2dxb h ARG 118 Ca 0.11 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.94 2dxb h ARG 118 Cb 0.78 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.28 2dxb h ARG 118 CO 0.06 0.19 0.11 0.97 2.80 0.00 0.00 179.97 184.10 2dxb h ILE 119 N 0.29 1.17 -0.47 1.20 6.09 -1.11 0.14 117.51 124.82 2dxb h ILE 119 Ca 0.16 -0.60 -0.04 0.00 -1.37 0.00 0.00 64.86 63.02 2dxb h ILE 119 Cb 0.13 0.75 -0.02 0.00 0.47 0.00 0.00 36.82 38.15 2dxb h ILE 119 CO -0.16 0.22 0.13 -0.07 -3.07 0.00 0.00 178.15 175.20 2dxb h LEU 120 N 0.57 0.64 0.09 2.19 3.38 -1.46 -1.98 115.31 118.74 2dxb h LEU 120 Ca 0.13 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 2dxb h LEU 120 Cb 0.19 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.78 2dxb h LEU 120 CO -0.01 0.63 -0.70 0.58 0.09 0.00 0.00 178.44 179.03 2dxb h VAL 121 N 0.68 1.48 -0.55 1.22 2.07 -1.19 0.31 116.25 120.28 2dxb h VAL 121 Ca 0.16 -2.44 -0.00 0.00 0.82 0.00 0.00 66.70 65.24 2dxb h VAL 121 Cb 0.23 3.12 -0.03 0.00 -1.52 0.00 0.00 31.29 33.09 2dxb h VAL 121 CO -0.01 0.66 0.33 0.44 0.02 0.00 0.00 177.57 179.01 2dxb h ASP 122 N -0.59 0.65 -0.50 0.57 3.32 -0.70 -1.21 116.42 117.97 2dxb h ASP 122 Ca -0.14 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.88 2dxb h ASP 122 Cb 1.45 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.83 2dxb h ASP 122 CO 0.07 0.51 0.00 0.29 -1.72 0.00 0.00 179.24 178.39 2dxb n LYS 123 N -4.42 3.36 -3.58 3.56 5.02 -0.75 -4.94 118.16 116.40 2dxb n LYS 123 Ca 0.05 -2.29 -0.27 0.00 -2.02 0.00 0.00 58.31 53.79 2dxb n LYS 123 Cb 0.08 -1.84 0.01 0.00 -0.02 0.00 0.00 35.03 33.26 2dxb n LYS 123 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2dxb n GLN 124 N 0.76 -4.49 0.13 1.97 6.02 -0.46 -4.85 117.38 116.46 2dxb n GLN 124 Ca 0.21 0.59 0.04 0.00 -0.01 0.00 0.00 57.00 57.82 2dxb n GLN 124 Cb 0.79 -5.40 0.03 0.00 1.02 0.00 0.00 30.24 26.68 2dxb n GLN 124 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 2dxb h PHE 125 N -1.52 0.00 -3.59 1.08 0.04 -1.20 -3.45 116.94 108.30 2dxb h PHE 125 Ca -0.51 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.09 2dxb h PHE 125 Cb 1.34 0.00 -0.23 0.00 2.20 0.00 0.00 35.95 39.26 2dxb h PHE 125 CO 0.61 0.42 -0.56 0.14 -0.60 0.00 0.00 178.31 178.31 2dxb s VAL 126 N -3.01 0.06 0.53 -0.55 -7.23 -0.83 -5.04 120.40 104.32 2dxb s VAL 126 Ca 0.03 -0.50 -0.11 0.00 -1.81 0.00 0.00 61.98 59.59 2dxb s VAL 126 Cb 0.07 -0.31 -0.05 0.00 0.56 0.00 0.00 36.38 36.65 2dxb s VAL 126 CO 0.75 -0.28 0.92 0.42 -0.31 0.00 0.00 175.10 176.61 2dxb s THR 127 N -0.91 4.72 0.42 5.32 -4.23 -1.26 -4.16 115.64 115.53 2dxb s THR 127 Ca -0.10 0.79 0.09 0.00 -1.18 0.00 0.00 61.69 61.29 2dxb s THR 127 Cb -0.06 -3.81 0.22 0.00 1.34 0.00 0.00 72.50 70.19 2dxb s THR 127 CO 0.01 -0.86 2.01 0.25 -0.54 0.00 0.00 174.62 175.48 2dxb h LEU 128 N 0.39 0.29 -0.51 4.79 5.85 -1.96 -1.27 115.31 122.89 2dxb h LEU 128 Ca -0.46 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.25 2dxb h LEU 128 Cb 1.19 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 2dxb h LEU 128 CO 0.62 0.31 0.32 0.74 -0.34 0.00 0.00 178.44 180.09 2dxb h THR 129 N 0.32 1.09 -0.76 1.05 2.02 -1.99 0.99 112.91 115.64 2dxb h THR 129 Ca 0.08 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 2dxb h THR 129 Cb 0.15 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 66.91 2dxb h THR 129 CO -0.00 0.12 0.41 -0.33 0.37 0.00 0.00 175.52 176.08 2dxb h GLU 130 N 0.65 1.05 -0.16 6.66 5.08 -1.62 0.99 114.58 127.23 2dxb h GLU 130 Ca 0.20 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2dxb h GLU 130 Cb -0.02 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.01 2dxb h GLU 130 CO -0.07 0.78 -0.04 1.25 -1.00 0.00 0.00 179.01 179.93 2dxb h LEU 131 N 1.06 0.31 -0.45 1.33 5.85 -0.70 -0.78 115.31 121.92 2dxb h LEU 131 Ca 0.27 -0.37 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 2dxb h LEU 131 Cb 0.04 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 2dxb h LEU 131 CO -0.04 0.60 0.28 0.45 -0.34 0.00 0.00 178.44 179.39 2dxb h HIS 132 N 0.00 0.59 -0.52 1.25 3.86 -0.52 -1.09 115.15 118.71 2dxb h HIS 132 Ca 0.04 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.22 2dxb h HIS 132 Cb 0.47 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.72 2dxb h HIS 132 CO 0.05 0.40 0.18 -0.91 0.86 0.00 0.00 177.93 178.51 2dxb h ASN 133 N 0.60 0.70 -0.54 2.45 2.35 -0.76 -1.62 115.58 118.77 2dxb h ASN 133 Ca 0.16 -0.10 -0.07 0.00 -0.55 0.00 0.00 56.30 55.75 2dxb h ASN 133 Cb -0.02 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 2dxb h ASN 133 CO -0.03 0.66 0.07 0.50 -1.65 0.00 0.00 177.43 176.98 2dxb h LYS 134 N 0.75 0.90 -0.18 0.81 1.63 -0.57 0.14 116.57 120.05 2dxb h LYS 134 Ca 0.18 -0.25 0.01 0.00 -0.85 0.00 0.00 60.65 59.73 2dxb h LYS 134 Cb 0.20 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.71 2dxb h LYS 134 CO -0.01 0.89 0.10 0.82 -3.45 0.00 0.00 179.45 177.79 2dxb h ILE 135 N 0.79 1.01 -0.52 2.00 1.08 -0.74 0.23 117.51 121.36 2dxb h ILE 135 Ca 0.16 -0.07 0.05 0.00 -0.39 0.00 0.00 64.86 64.61 2dxb h ILE 135 Cb 0.43 0.78 -0.05 0.00 -3.07 0.00 0.00 36.82 34.92 2dxb h ILE 135 CO 0.01 0.04 0.24 0.58 -0.69 0.00 0.00 178.15 178.33 2dxb h VAL 136 N 0.20 0.92 -0.66 1.67 2.07 -1.06 -1.57 116.25 117.82 2dxb h VAL 136 Ca 0.07 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.44 2dxb h VAL 136 Cb 0.01 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 2dxb h VAL 136 CO -0.04 0.09 0.43 -0.08 0.02 0.00 0.00 177.57 177.98 2dxb h GLU 137 N 0.47 0.86 -0.80 1.57 4.81 -0.32 -1.53 114.58 119.64 2dxb h GLU 137 Ca 0.23 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.37 2dxb h GLU 137 Cb 0.18 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 2dxb h GLU 137 CO -0.19 0.57 0.34 0.52 -0.73 0.00 0.00 179.01 179.52 2dxb h MET 138 N 0.88 1.17 -0.37 1.92 2.86 -0.43 -1.01 114.93 119.96 2dxb h MET 138 Ca 0.25 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 2dxb h MET 138 Cb -0.09 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.36 2dxb h MET 138 CO -0.06 0.94 0.14 0.00 1.06 0.00 0.00 176.91 178.99 2dxb h ARG 139 N 1.15 0.55 -0.15 1.72 3.08 -0.82 -2.60 114.38 117.30 2dxb h ARG 139 Ca 0.27 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 60.12 2dxb h ARG 139 Cb 0.18 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2dxb h ARG 139 CO -0.03 0.53 -0.34 0.93 -1.07 0.00 0.00 179.97 180.00 2dxb h GLU 140 N 0.44 0.31 -0.70 0.04 5.08 -1.12 -0.85 114.58 117.78 2dxb h GLU 140 Ca 0.12 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2dxb h GLU 140 Cb 0.19 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 2dxb h GLU 140 CO -0.01 0.62 0.40 -0.09 -1.00 0.00 0.00 179.01 178.92 2dxb h ARG 141 N 0.27 0.95 0.07 2.33 2.43 -0.94 0.32 114.38 119.81 2dxb h ARG 141 Ca 0.03 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2dxb h ARG 141 Cb 0.73 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 2dxb h ARG 141 CO 0.06 0.69 -0.03 0.28 -1.51 0.00 0.00 179.97 179.45 2dxb h VAL 142 N 0.97 1.20 -0.80 0.20 2.07 -1.08 -0.98 116.25 117.82 2dxb h VAL 142 Ca 0.25 -1.49 0.12 0.00 0.82 0.00 0.00 66.70 66.39 2dxb h VAL 142 Cb 0.00 2.09 -0.06 0.00 -1.52 0.00 0.00 31.29 31.80 2dxb h VAL 142 CO -0.04 0.34 0.52 0.00 0.02 0.00 0.00 177.57 178.41 2dxb h ALA 143 N -0.08 1.85 -0.04 1.67 0.00 -0.95 0.79 119.26 122.49 2dxb h ALA 143 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2dxb h ALA 143 Cb 0.62 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2dxb h ALA 143 CO 0.01 -0.03 0.00 -1.13 0.00 0.00 0.00 179.25 178.10 2dxb n SER 144 N -4.51 0.60 -1.31 0.00 3.41 0.11 -4.86 113.62 107.06 2dxb n SER 144 Ca 0.14 -2.02 -0.17 0.00 -0.26 0.00 0.00 58.87 56.56 2dxb n SER 144 Cb 0.39 -0.19 -0.07 0.00 -0.26 0.00 0.00 64.21 64.08 2dxb n SER 144 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dxb n GLY 145 N 0.40 1.62 0.25 5.00 0.00 0.27 -4.83 105.19 107.89 2dxb n GLY 145 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.12 2dxb n GLY 145 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dxb n GLN 146 N -1.76 1.32 -0.22 1.61 6.02 -0.38 -4.58 117.38 119.39 2dxb n GLN 146 Ca -0.17 -0.48 0.03 0.00 -0.01 0.00 0.00 57.00 56.36 2dxb n GLN 146 Cb 0.65 -1.29 -0.01 0.00 1.02 0.00 0.00 30.24 30.61 2dxb n GLN 146 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2dxb n GLY 147 N 0.90 -1.96 2.69 1.08 0.00 -1.21 -4.50 105.19 102.19 2dxb n GLY 147 Ca 0.13 -1.44 -0.20 0.00 0.00 0.00 0.00 46.02 44.51 2dxb n GLY 147 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dxb s LEU 148 N -5.00 0.19 0.00 0.99 1.98 0.20 -4.24 118.68 112.79 2dxb s LEU 148 Ca 0.00 -1.76 0.00 0.00 -2.89 0.00 0.00 54.13 49.48 2dxb s LEU 148 Cb 0.00 0.34 0.00 0.00 0.66 0.00 0.00 46.19 47.19 2dxb s LEU 148 CO 0.00 -0.26 0.00 0.61 -1.89 0.00 0.00 176.35 174.81 2dxb n GLY 149 N 4.15 1.66 0.19 7.98 0.00 -1.26 -1.60 105.19 116.31 2dxb n GLY 149 Ca 0.12 -0.44 0.11 0.00 0.00 0.00 0.00 46.02 45.80 2dxb n GLY 149 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2dxb n GLU 150 N 7.94 1.26 0.03 1.61 0.28 -1.26 -3.73 120.64 126.76 2dxb n GLU 150 Ca 0.00 -0.39 -0.17 0.00 -0.16 0.00 0.00 57.16 56.45 2dxb n GLU 150 Cb 0.00 -1.36 -0.14 0.00 1.43 0.00 0.00 31.44 31.37 2dxb n GLU 150 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 177.13 178.85 2dxb h TYR 151 N 0.81 0.39 -2.92 -1.84 0.05 -1.75 -3.46 116.97 108.25 2dxb h TYR 151 Ca 0.00 -0.28 -0.25 0.00 0.05 0.00 0.00 58.73 58.24 2dxb h TYR 151 Cb 0.18 -0.02 -0.34 0.00 1.01 0.00 0.00 36.73 37.56 2dxb h TYR 151 CO 0.03 1.43 -0.58 -1.17 -1.05 0.00 0.00 178.16 176.82 2dxb s LEU 152 N -6.84 -0.20 0.60 3.88 2.96 -0.89 -4.97 118.68 113.22 2dxb s LEU 152 Ca -0.12 0.43 -0.15 0.00 -0.22 0.00 0.00 54.13 54.07 2dxb s LEU 152 Cb 0.07 0.51 -0.03 0.00 0.50 0.00 0.00 46.19 47.24 2dxb s LEU 152 CO 0.83 -0.25 1.06 -2.16 -1.32 0.00 0.00 176.35 174.50 2dxb s PRO 153 N 2.36 3.28 0.00 0.98 0.04 -1.26 0.61 135.00 141.02 2dxb s PRO 153 Ca 0.02 1.18 0.03 0.00 0.04 0.00 0.00 61.00 62.27 2dxb s PRO 153 Cb -0.12 -2.03 0.18 0.00 0.04 0.00 0.00 34.50 32.57 2dxb s PRO 153 CO -0.08 -0.84 0.66 -2.30 0.04 0.00 0.00 177.00 174.49