#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 1.27 -0.95 2.46 2.04 -2.05 -2.45 117.51 117.83 2dxb h ILE 5 Ca 0.00 -0.91 0.07 0.00 1.00 0.00 0.00 64.86 65.02 2dxb h ILE 5 Cb 0.00 1.55 -0.07 0.00 -0.74 0.00 0.00 36.82 37.57 2dxb h ILE 5 CO 0.00 0.27 0.61 0.03 0.00 0.00 0.00 178.15 179.06 2dxb h ARG 6 N 0.02 1.03 -0.71 2.37 2.47 -2.05 0.21 114.38 117.72 2dxb h ARG 6 Ca 0.04 -0.06 -0.02 0.00 -1.26 0.00 0.00 59.98 58.68 2dxb h ARG 6 Cb 0.42 -0.23 -0.03 0.00 -1.65 0.00 0.00 29.97 28.47 2dxb h ARG 6 CO 0.01 0.68 0.37 0.93 0.56 0.00 0.00 179.97 182.52 2dxb h GLU 7 N 1.06 1.01 -0.34 0.04 5.08 -1.97 -0.67 114.58 118.80 2dxb h GLU 7 Ca 0.42 -0.13 -0.11 0.00 -1.00 0.00 0.00 59.36 58.53 2dxb h GLU 7 Cb 0.24 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2dxb h GLU 7 CO -0.17 0.78 -0.25 1.49 -1.00 0.00 0.00 179.01 179.85 2dxb h GLU 8 N 0.99 0.68 -0.12 2.33 4.81 -0.68 -1.69 114.58 120.91 2dxb h GLU 8 Ca 0.25 -0.28 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2dxb h GLU 8 Cb 0.08 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2dxb h GLU 8 CO -0.04 0.87 0.07 0.28 -0.73 0.00 0.00 179.01 179.47 2dxb h VAL 9 N 0.59 1.05 -0.05 0.32 2.07 0.07 0.28 116.25 120.59 2dxb h VAL 9 Ca 0.08 -0.12 -0.11 0.00 0.82 0.00 0.00 66.70 67.37 2dxb h VAL 9 Cb 0.74 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 2dxb h VAL 9 CO 0.06 0.05 -0.46 0.45 0.02 0.00 0.00 177.57 177.68 2dxb h HIS 10 N 0.13 0.14 -0.45 1.57 3.86 -1.06 -1.19 115.15 118.16 2dxb h HIS 10 Ca 0.04 -0.04 -0.12 0.00 -1.16 0.00 0.00 60.37 59.09 2dxb h HIS 10 Cb 0.01 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 2dxb h HIS 10 CO -0.06 0.56 -0.21 -0.09 0.86 0.00 0.00 177.93 178.99 2dxb h ARG 11 N 0.10 0.91 -0.23 2.45 2.43 -1.05 -2.36 114.38 116.63 2dxb h ARG 11 Ca 0.00 -0.37 -0.02 0.00 -0.81 0.00 0.00 59.98 58.78 2dxb h ARG 11 Cb 0.86 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.36 2dxb h ARG 11 CO 0.07 1.03 0.07 1.25 -1.51 0.00 0.00 179.97 180.88 2dxb h HIS 12 N 0.79 0.36 -0.24 2.20 2.76 -0.52 0.04 115.15 120.54 2dxb h HIS 12 Ca 0.11 -0.04 0.03 0.00 -2.20 0.00 0.00 60.37 58.27 2dxb h HIS 12 Cb 0.76 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.61 2dxb h HIS 12 CO 0.05 0.42 0.17 -0.07 -1.30 0.00 0.00 177.93 177.19 2dxb h LEU 13 N 0.20 0.16 0.12 0.26 3.38 -1.08 -1.34 115.31 117.01 2dxb h LEU 13 Ca 0.07 -0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.76 2dxb h LEU 13 Cb 0.23 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2dxb h LEU 13 CO -0.00 0.11 -1.29 1.23 0.09 0.00 0.00 178.44 178.58 2dxb h GLY 14 N 0.19 0.28 0.97 0.83 0.00 -1.07 -3.35 103.07 100.92 2dxb h GLY 14 Ca 0.10 -0.73 -0.11 0.00 0.00 0.00 0.00 47.33 46.60 2dxb h GLY 14 CO -0.02 0.64 -0.21 -0.84 0.00 0.00 0.00 176.54 176.11 2dxb h THR 15 N 0.07 1.29 0.00 4.70 2.02 -0.14 -3.05 112.91 117.81 2dxb h THR 15 Ca -0.15 -1.34 -0.00 0.00 0.77 0.00 0.00 66.41 65.69 2dxb h THR 15 Cb 1.97 1.44 -0.00 0.00 -1.74 0.00 0.00 68.15 69.82 2dxb h THR 15 CO 0.19 0.44 -0.01 -0.37 0.37 0.00 0.00 175.52 176.13 2dxb h VAL 16 N 0.49 0.23 -0.13 3.16 -1.51 -1.42 -0.70 116.25 116.37 2dxb h VAL 16 Ca 0.07 -0.09 -0.02 0.00 -1.23 0.00 0.00 66.70 65.43 2dxb h VAL 16 Cb 0.76 1.07 -0.01 0.00 -2.13 0.00 0.00 31.29 30.98 2dxb h VAL 16 CO 0.06 0.01 -0.02 0.00 -1.23 0.00 0.00 177.57 176.39 2dxb h ALA 17 N 1.99 1.73 0.00 5.19 0.00 -1.67 -1.47 119.26 125.03 2dxb h ALA 17 Ca -0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2dxb h ALA 17 Cb 0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2dxb h ALA 17 CO 0.00 0.20 -0.23 -0.07 0.00 0.00 0.00 179.25 179.16 2dxb h LEU 18 N 0.19 0.00 -1.28 0.00 3.38 -1.27 -2.73 115.31 113.61 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 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2dxb h LEU 18 CO 0.00 0.23 0.00 0.23 0.09 0.00 0.00 178.44 178.99 2dxb n MET 19 N -3.90 1.87 -1.66 1.13 2.81 -0.57 -4.93 117.12 111.86 2dxb n MET 19 Ca -0.02 -1.27 -0.54 0.00 -1.81 0.00 0.00 57.70 54.06 2dxb n MET 19 Cb 0.32 -1.46 -0.06 0.00 -0.71 0.00 0.00 33.22 31.30 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 0.52 1.45 -1.79 0.03 -0.06 -1.03 -4.88 117.38 111.62 2dxb n GLN 20 Ca 0.17 0.51 -0.37 0.00 -2.00 0.00 0.00 57.00 55.31 2dxb n GLN 20 Cb 0.41 -2.32 0.05 0.00 -4.06 0.00 0.00 30.24 24.32 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 4.17 2.85 0.16 3.69 0.02 -1.26 -5.03 135.00 139.60 2dxb s PRO 21 Ca 0.99 2.12 -0.24 0.00 0.02 0.00 0.00 61.00 63.89 2dxb s PRO 21 Cb -0.93 -2.04 0.06 0.00 0.02 0.00 0.00 34.50 31.62 2dxb s PRO 21 CO 0.59 -1.38 0.70 0.00 -0.33 0.00 0.00 177.00 176.58 2dxb s ALA 22 N -1.37 -1.54 -0.59 -1.55 0.00 -1.26 -5.08 121.76 110.37 2dxb s ALA 22 Ca 0.77 0.34 -0.16 0.00 0.00 0.00 0.00 51.96 52.92 2dxb s ALA 22 Cb -0.38 0.79 0.14 0.00 0.00 0.00 0.00 23.12 23.67 2dxb s ALA 22 CO 0.43 -0.85 0.54 -0.51 0.00 0.00 0.00 175.76 175.37 2dxb s LEU 23 N -2.77 6.28 -0.49 0.00 1.43 -1.26 -5.02 118.68 116.86 2dxb s LEU 23 Ca 0.05 -1.94 -0.21 0.00 -1.03 0.00 0.00 54.13 51.00 2dxb s LEU 23 Cb -0.02 -2.21 0.04 0.00 0.03 0.00 0.00 46.19 44.03 2dxb s LEU 23 CO -0.06 -0.81 0.70 -2.28 0.23 0.00 0.00 176.35 174.13 2dxb s HIS 24 N 1.37 3.00 -0.43 0.29 2.46 -1.26 -5.03 115.29 115.69 2dxb s HIS 24 Ca 0.05 -0.22 -0.09 0.00 0.47 0.00 0.00 55.06 55.28 2dxb s HIS 24 Cb -0.27 -3.58 0.09 0.00 -0.13 0.00 0.00 32.58 28.69 2dxb s HIS 24 CO 0.01 -1.04 0.28 -1.14 -2.47 0.00 0.00 174.74 170.38 2dxb s GLN 25 N 3.00 2.58 0.37 2.88 0.74 -1.26 -5.07 119.66 122.90 2dxb s GLN 25 Ca 0.22 -1.52 -0.27 0.00 0.05 0.00 0.00 55.36 53.84 2dxb s GLN 25 Cb -0.16 -3.81 -0.09 0.00 1.10 0.00 0.00 33.01 30.05 2dxb s GLN 25 CO 0.17 -1.00 1.26 -0.65 -0.55 0.00 0.00 175.29 174.52 2dxb s GLN 26 N 1.41 4.17 -0.19 1.67 -0.21 -1.26 -5.01 119.66 120.24 2dxb s GLN 26 Ca 0.04 2.09 -0.04 0.00 0.02 0.00 0.00 55.36 57.47 2dxb s GLN 26 Cb -0.24 -2.88 -0.02 0.00 1.00 0.00 0.00 33.01 30.88 2dxb s GLN 26 CO 0.02 -0.30 -0.04 0.95 -2.12 0.00 0.00 175.29 173.79 2dxb s THR 27 N -1.24 3.57 -0.60 -0.19 -4.23 -1.26 -5.04 115.64 106.64 2dxb s THR 27 Ca 0.53 -0.45 0.06 0.00 -1.18 0.00 0.00 61.69 60.65 2dxb s THR 27 Cb -0.37 -2.59 0.22 0.00 1.34 0.00 0.00 72.50 71.10 2dxb s THR 27 CO 0.48 0.45 0.61 1.41 -0.54 0.00 0.00 174.62 177.03 2dxb n HIS 28 N 4.27 2.57 -3.47 3.99 8.25 -1.26 -4.92 115.22 124.65 2dxb n HIS 28 Ca -0.18 -4.04 -0.17 0.00 -0.26 0.00 0.00 57.72 53.07 2dxb n HIS 28 Cb 0.52 -0.48 0.02 0.00 1.12 0.00 0.00 29.99 31.17 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 1.41 -2.60 -1.14 -1.41 0.00 -1.26 -4.92 120.51 110.58 2dxb n ALA 29 Ca 0.26 -0.14 -0.33 0.00 0.00 0.00 0.00 53.44 53.23 2dxb n ALA 29 Cb 0.42 -2.37 0.12 0.00 0.00 0.00 0.00 19.45 17.62 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 -4.54 1.77 0.59 0.00 0.02 -1.26 -4.99 135.00 126.60 2dxb s PRO 30 Ca 0.18 1.67 -0.16 0.00 0.02 0.00 0.00 61.00 62.71 2dxb s PRO 30 Cb -0.06 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.63 2dxb s PRO 30 CO 0.82 -2.10 1.06 0.00 -0.33 0.00 0.00 177.00 176.46 2dxb s ALA 31 N -2.23 2.74 0.47 -1.55 0.00 -1.26 -4.90 121.76 115.02 2dxb s ALA 31 Ca 0.71 0.39 0.26 0.00 0.00 0.00 0.00 51.96 53.33 2dxb s ALA 31 Cb -0.27 -3.23 1.30 0.00 0.00 0.00 0.00 23.12 20.92 2dxb s ALA 31 CO 0.50 -0.81 1.81 -1.35 0.00 0.00 0.00 175.76 175.90 2dxb h PRO 32 N 0.43 0.20 0.00 0.00 0.11 -1.96 0.27 132.00 131.06 2dxb h PRO 32 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2dxb h PRO 32 Cb 1.22 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2dxb h PRO 32 CO 0.57 0.14 0.00 0.25 -0.21 0.00 0.00 178.00 178.75 2dxb n THR 33 N -4.43 0.44 0.90 -1.15 -2.24 -1.26 -1.93 114.28 104.62 2dxb n THR 33 Ca 0.24 0.11 0.10 0.00 -2.27 0.00 0.00 64.05 62.23 2dxb n THR 33 Cb 0.99 -0.87 0.04 0.00 -2.10 0.00 0.00 70.33 68.39 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 -1.21 1.67 -3.63 -0.78 -0.58 0.96 -4.87 120.64 112.19 2dxb n GLU 34 Ca 0.08 -1.34 -0.39 0.00 -0.42 0.00 0.00 57.16 55.09 2dxb n GLU 34 Cb 0.10 -1.41 -0.11 0.00 -0.57 0.00 0.00 31.44 29.45 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 -2.05 4.53 0.70 -3.67 1.09 -0.81 -5.00 121.20 115.98 2dxb s ILE 35 Ca 0.21 -0.68 -0.07 0.00 -1.10 0.00 0.00 60.65 59.01 2dxb s ILE 35 Cb 0.17 -3.43 0.06 0.00 -1.06 0.00 0.00 42.46 38.20 2dxb s ILE 35 CO 0.40 -0.09 1.01 0.42 -0.10 0.00 0.00 174.94 176.58 2dxb s THR 36 N 1.57 2.37 0.25 2.92 -4.23 -1.26 -4.84 115.64 112.42 2dxb s THR 36 Ca 0.03 -0.23 -0.06 0.00 -1.18 0.00 0.00 61.69 60.25 2dxb s THR 36 Cb -0.18 -3.04 0.25 0.00 1.34 0.00 0.00 72.50 70.87 2dxb s THR 36 CO 0.06 -0.04 1.91 -0.74 -0.54 0.00 0.00 174.62 175.28 2dxb h HIS 37 N -0.59 1.23 -0.28 3.99 2.76 -1.98 0.15 115.15 120.44 2dxb h HIS 37 Ca -0.45 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 57.75 2dxb h HIS 37 Cb 1.31 -0.41 -0.02 0.00 1.55 0.00 0.00 27.41 29.84 2dxb h HIS 37 CO 0.35 0.80 0.16 1.15 -1.30 0.00 0.00 177.93 179.08 2dxb h THR 38 N 1.31 1.02 -0.48 6.26 2.02 -1.99 0.58 112.91 121.64 2dxb h THR 38 Ca 0.35 -0.11 -0.11 0.00 0.77 0.00 0.00 66.41 67.31 2dxb h THR 38 Cb -0.10 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 2dxb h THR 38 CO -0.07 0.06 -0.14 -0.07 0.37 0.00 0.00 175.52 175.67 2dxb h LEU 39 N 0.32 0.90 -0.41 2.58 3.38 -1.81 -0.94 115.31 119.33 2dxb h LEU 39 Ca 0.11 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.81 2dxb h LEU 39 Cb 0.00 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 2dxb h LEU 39 CO -0.06 1.04 0.22 0.15 0.09 0.00 0.00 178.44 179.89 2dxb h PHE 40 N 0.80 0.41 -0.34 1.13 3.57 -0.21 0.15 116.94 122.46 2dxb h PHE 40 Ca 0.12 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.54 2dxb h PHE 40 Cb 0.67 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 2dxb h PHE 40 CO 0.04 0.23 -0.20 -0.09 -2.23 0.00 0.00 178.31 176.06 2dxb h ARG 41 N 0.45 0.64 -0.38 1.11 2.43 -0.70 -1.95 114.38 115.98 2dxb h ARG 41 Ca 0.17 -0.24 -0.09 0.00 -0.81 0.00 0.00 59.98 59.01 2dxb h ARG 41 Cb 0.04 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2dxb h ARG 41 CO -0.10 0.80 -0.11 0.00 -1.51 0.00 0.00 179.97 179.05 2dxb h ALA 42 N 1.21 0.53 -0.12 2.80 0.00 -0.49 -2.69 119.26 120.50 2dxb h ALA 42 Ca 0.09 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 2dxb h ALA 42 Cb 0.66 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2dxb h ALA 42 CO 0.05 0.41 -0.50 1.88 0.00 0.00 0.00 179.25 181.09 2dxb h TYR 43 N 0.55 0.38 -0.52 0.00 0.05 -0.62 -3.17 116.97 113.64 2dxb h TYR 43 Ca 0.09 -0.12 0.00 0.00 0.05 0.00 0.00 58.73 58.75 2dxb h TYR 43 Cb 0.64 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 38.30 2dxb h TYR 43 CO 0.05 0.75 0.00 0.25 -1.05 0.00 0.00 178.16 178.17 2dxb n THR 44 N -3.96 0.73 -1.08 -2.88 -2.24 -0.74 -4.95 114.28 99.16 2dxb n THR 44 Ca -0.02 -0.71 -0.30 0.00 -2.27 0.00 0.00 64.05 60.75 2dxb n THR 44 Cb 0.55 0.33 0.13 0.00 -2.10 0.00 0.00 70.33 69.25 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 -1.32 1.52 -0.29 -0.78 1.70 -1.02 -4.98 118.95 113.77 2dxb s ARG 45 Ca 0.35 1.14 -0.18 0.00 -0.47 0.00 0.00 55.73 56.57 2dxb s ARG 45 Cb 0.18 -1.81 -0.02 0.00 -0.57 0.00 0.00 34.95 32.73 2dxb s ARG 45 CO 0.23 -2.15 0.51 0.14 -1.08 0.00 0.00 175.30 172.95 2dxb s VAL 46 N -2.83 5.06 0.43 4.99 -7.23 -1.26 -4.97 120.40 114.59 2dxb s VAL 46 Ca 0.63 0.71 0.27 0.00 -1.81 0.00 0.00 61.98 61.79 2dxb s VAL 46 Cb -0.19 -3.86 0.46 0.00 0.56 0.00 0.00 36.38 33.35 2dxb s VAL 46 CO 0.57 0.00 1.67 -0.65 -0.31 0.00 0.00 175.10 176.39 2dxb h PRO 47 N 8.16 0.17 0.00 4.82 0.11 -1.83 -2.33 132.00 141.10 2dxb h PRO 47 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2dxb h PRO 47 Cb 1.14 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2dxb h PRO 47 CO 0.73 0.11 0.00 -2.39 -0.21 0.00 0.00 178.00 176.24 2dxb n HIS 48 N -4.65 0.40 -2.72 0.65 1.44 -1.17 -4.39 115.22 104.79 2dxb n HIS 48 Ca 0.33 0.16 -0.43 0.00 -2.01 0.00 0.00 57.72 55.77 2dxb n HIS 48 Cb 1.26 -0.75 0.00 0.00 0.12 0.00 0.00 29.99 30.62 2dxb n HIS 48 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2dxb n ASP 49 N -1.87 5.04 -0.43 4.39 2.03 -0.88 -4.72 116.55 120.11 2dxb n ASP 49 Ca 0.03 -2.95 0.08 0.00 0.52 0.00 0.00 54.79 52.47 2dxb n ASP 49 Cb 0.21 -1.66 0.01 0.00 -0.72 0.00 0.00 41.12 38.96 2dxb n ASP 49 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2dxb n VAL 50 N 5.45 0.00 -1.68 5.18 0.24 -1.26 -5.00 118.33 121.25 2dxb n VAL 50 Ca 0.43 -0.37 -0.45 0.00 -2.04 0.00 0.00 64.34 61.92 2dxb n VAL 50 Cb 0.44 1.23 -0.04 0.00 -1.47 0.00 0.00 33.84 34.00 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 1.12 1.36 0.01 7.63 0.00 -1.26 -1.85 105.19 112.19 2dxb n GLY 51 Ca 0.07 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.79 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 3.83 2.15 3.76 -0.02 0.00 -1.26 -5.06 105.19 108.60 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 -1.00 4.39 0.28 1.61 2.02 -0.77 -4.96 118.70 120.27 2dxb s GLU 53 Ca 0.00 2.15 -0.29 0.00 0.02 0.00 0.00 54.97 56.84 2dxb s GLU 53 Cb 0.00 -3.10 -0.10 0.00 0.10 0.00 0.00 34.13 31.03 2dxb s GLU 53 CO 0.00 -0.15 1.26 0.00 0.02 0.00 0.00 175.26 176.39 2dxb s ALA 54 N -0.94 3.49 0.18 5.21 0.00 -1.26 -5.02 121.76 123.42 2dxb s ALA 54 Ca 0.50 1.13 -0.13 0.00 0.00 0.00 0.00 51.96 53.47 2dxb s ALA 54 Cb -0.38 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.30 2dxb s ALA 54 CO 0.49 -0.50 0.39 0.34 0.00 0.00 0.00 175.76 176.48 2dxb s ASP 55 N -0.33 -0.09 0.54 0.00 -1.08 -1.26 -5.18 116.67 109.27 2dxb s ASP 55 Ca 0.50 -0.72 0.01 0.00 -0.52 0.00 0.00 52.55 51.82 2dxb s ASP 55 Cb -0.37 0.50 0.03 0.00 -1.46 0.00 0.00 42.92 41.62 2dxb s ASP 55 CO 0.46 -0.97 0.77 0.68 0.52 0.00 0.00 175.17 176.62 2dxb s VAL 56 N -3.93 2.85 0.33 1.11 -7.23 -1.26 -5.07 120.40 107.19 2dxb s VAL 56 Ca 0.14 -0.62 -0.24 0.00 -1.81 0.00 0.00 61.98 59.44 2dxb s VAL 56 Cb 0.01 -3.07 -0.10 0.00 0.56 0.00 0.00 36.38 33.78 2dxb s VAL 56 CO -0.01 -0.05 0.92 -2.84 -0.31 0.00 0.00 175.10 172.81 2dxb s PRO 57 N -4.75 4.48 0.03 4.82 0.02 -1.26 -5.06 135.00 133.28 2dxb s PRO 57 Ca 0.56 1.24 -0.01 0.00 0.02 0.00 0.00 61.00 62.80 2dxb s PRO 57 Cb -0.10 -2.69 -0.02 0.00 0.02 0.00 0.00 34.50 31.70 2dxb s PRO 57 CO 0.39 0.24 -0.00 0.96 -0.33 0.00 0.00 177.00 178.25 2dxb s ILE 58 N -1.71 0.13 -0.79 2.83 -4.36 -1.26 -5.08 121.20 110.96 2dxb s ILE 58 Ca 0.52 -1.07 -0.26 0.00 -0.26 0.00 0.00 60.65 59.57 2dxb s ILE 58 Cb -0.17 -0.56 0.03 0.00 1.25 0.00 0.00 42.46 43.02 2dxb s ILE 58 CO 0.21 -0.59 1.31 -0.70 0.24 0.00 0.00 174.94 175.41 2dxb s GLU 59 N -2.00 3.26 0.34 0.37 2.12 -1.26 -4.97 118.70 116.56 2dxb s GLU 59 Ca -0.11 -0.40 -0.27 0.00 0.36 0.00 0.00 54.97 54.55 2dxb s GLU 59 Cb -0.06 -4.39 -0.12 0.00 0.26 0.00 0.00 34.13 29.82 2dxb s GLU 59 CO -0.03 -2.16 1.17 0.66 -0.54 0.00 0.00 175.26 174.36 2dxb n TYR 60 N 9.28 1.82 -4.21 5.30 4.01 -1.26 -5.00 117.16 127.10 2dxb n TYR 60 Ca 0.08 0.60 -0.12 0.00 -0.16 0.00 0.00 57.90 58.30 2dxb n TYR 60 Cb 0.49 -2.34 -0.10 0.00 -0.31 0.00 0.00 39.34 37.08 2dxb n TYR 60 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 2dxb s HIS 61 N -1.11 1.06 0.56 -0.72 -3.43 -1.26 -5.16 115.29 105.23 2dxb s HIS 61 Ca 0.58 -0.84 -0.00 0.00 -0.80 0.00 0.00 55.06 54.00 2dxb s HIS 61 Cb -0.60 -0.57 0.03 0.00 -1.43 0.00 0.00 32.58 30.00 2dxb s HIS 61 CO 0.61 -0.04 0.80 -1.21 -2.00 0.00 0.00 174.74 172.89 2dxb s GLU 62 N -3.78 2.57 -0.10 -0.38 0.41 -1.26 -5.12 118.70 111.05 2dxb s GLU 62 Ca 0.14 -0.66 -0.06 0.00 -0.41 0.00 0.00 54.97 53.98 2dxb s GLU 62 Cb 0.04 -2.45 0.04 0.00 -1.78 0.00 0.00 34.13 29.98 2dxb s GLU 62 CO -0.02 -0.73 0.23 0.21 -0.49 0.00 0.00 175.26 174.46 2dxb s LYS 63 N -4.81 0.22 0.52 1.61 2.20 -1.26 -5.14 119.74 113.08 2dxb s LYS 63 Ca 0.57 0.46 -0.21 0.00 -0.36 0.00 0.00 55.97 56.42 2dxb s LYS 63 Cb -0.10 -0.05 -0.06 0.00 -1.51 0.00 0.00 37.83 36.11 2dxb s LYS 63 CO 0.39 -0.12 1.20 -1.21 -0.36 0.00 0.00 175.35 175.25 2dxb s GLU 64 N 0.92 3.41 0.04 4.03 2.02 -1.26 -4.97 118.70 122.89 2dxb s GLU 64 Ca -0.07 1.84 -0.28 0.00 0.02 0.00 0.00 54.97 56.49 2dxb s GLU 64 Cb -0.08 -2.21 -0.05 0.00 0.10 0.00 0.00 34.13 31.90 2dxb s GLU 64 CO -0.06 -0.86 0.89 -2.00 0.02 0.00 0.00 175.26 173.25 2dxb s GLU 65 N -2.97 4.58 0.40 1.61 2.12 -1.26 -5.04 118.70 118.14 2dxb s GLU 65 Ca 0.70 1.28 -0.20 0.00 0.36 0.00 0.00 54.97 57.11 2dxb s GLU 65 Cb -0.30 -3.40 -0.10 0.00 0.26 0.00 0.00 34.13 30.58 2dxb s GLU 65 CO 0.35 0.14 0.90 -1.21 -0.54 0.00 0.00 175.26 174.91 2dxb s GLU 66 N 0.35 4.20 0.17 4.30 0.41 -1.26 -4.96 118.70 121.92 2dxb s GLU 66 Ca 0.45 1.03 -0.14 0.00 -0.41 0.00 0.00 54.97 55.90 2dxb s GLU 66 Cb -0.21 -2.28 0.11 0.00 -1.78 0.00 0.00 34.13 29.97 2dxb s GLU 66 CO 0.26 0.04 1.77 0.82 -0.49 0.00 0.00 175.26 177.66 2dxb h ILE 67 N 1.98 0.94 0.00 -1.63 2.04 -2.00 -0.95 117.51 117.88 2dxb h ILE 67 Ca -0.49 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 2dxb h ILE 67 Cb 1.18 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 2dxb h ILE 67 CO 0.62 0.08 -0.07 4.11 0.00 0.00 0.00 178.15 182.88 2dxb h TRP 68 N 0.42 0.00 -0.18 1.37 5.08 -1.99 -1.12 115.95 119.54 2dxb h TRP 68 Ca 0.20 0.00 -0.13 0.00 1.08 0.00 0.00 58.89 60.04 2dxb h TRP 68 Cb 0.14 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.30 2dxb h TRP 68 CO -0.12 0.07 -0.41 0.93 -1.28 0.00 0.00 178.44 177.64 2dxb h GLU 69 N 0.00 0.59 -0.65 0.12 5.08 -1.58 -0.81 114.58 117.33 2dxb h GLU 69 Ca -0.00 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 57.95 2dxb h GLU 69 Cb 0.17 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 2dxb h GLU 69 CO 0.01 1.02 0.36 1.25 -1.00 0.00 0.00 179.01 180.65 2dxb h LEU 70 N 0.25 0.80 -0.88 1.33 6.46 -0.64 -0.83 115.31 121.80 2dxb h LEU 70 Ca -0.00 -0.09 -0.09 0.00 -0.12 0.00 0.00 57.88 57.58 2dxb h LEU 70 Cb 1.02 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.73 2dxb h LEU 70 CO 0.09 0.66 -0.13 0.78 -0.62 0.00 0.00 178.44 179.22 2dxb h ASN 71 N 0.88 0.67 -0.38 1.25 2.35 -1.17 -2.10 115.58 117.09 2dxb h ASN 71 Ca 0.23 -0.20 -0.07 0.00 -0.55 0.00 0.00 56.30 55.71 2dxb h ASN 71 Cb 0.02 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 2dxb h ASN 71 CO -0.04 0.83 -0.02 0.74 -1.65 0.00 0.00 177.43 177.29 2dxb h THR 72 N 0.62 1.26 -0.03 2.81 2.02 -0.66 -0.57 112.91 118.37 2dxb h THR 72 Ca 0.11 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.25 2dxb h THR 72 Cb 0.58 1.18 -0.00 0.00 -1.74 0.00 0.00 68.15 68.17 2dxb h THR 72 CO 0.04 0.34 0.01 0.15 0.37 0.00 0.00 175.52 176.44 2dxb h PHE 73 N 0.49 0.03 -0.84 3.16 3.57 -1.02 -0.12 116.94 122.21 2dxb h PHE 73 Ca 0.10 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 2dxb h PHE 73 Cb 0.50 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.19 2dxb h PHE 73 CO 0.04 0.02 0.45 0.00 -2.23 0.00 0.00 178.31 176.59 2dxb h ALA 74 N 1.01 1.21 -0.43 2.41 0.00 -1.31 -0.93 119.26 121.22 2dxb h ALA 74 Ca 0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2dxb h ALA 74 Cb 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 2dxb h ALA 74 CO -0.01 0.63 0.18 1.15 0.00 0.00 0.00 179.25 181.20 2dxb h THR 75 N 1.18 1.20 -0.64 0.00 2.02 -0.72 0.28 112.91 116.23 2dxb h THR 75 Ca 0.30 -0.61 -0.05 0.00 0.77 0.00 0.00 66.41 66.82 2dxb h THR 75 Cb 0.04 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 2dxb h THR 75 CO -0.05 0.22 0.20 0.00 0.37 0.00 0.00 175.52 176.27 2dxb h GLU 77 N 0.93 0.45 -0.33 0.00 4.39 -1.02 -2.71 114.58 116.27 2dxb h GLU 77 Ca 0.21 -0.27 -0.12 0.00 0.34 0.00 0.00 59.36 59.51 2dxb h GLU 77 Cb 0.29 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2dxb h GLU 77 CO -0.01 0.87 -0.29 0.00 -1.16 0.00 0.00 179.01 178.42 2dxb h LEU 79 N 0.60 1.05 -0.16 0.00 3.38 -1.08 -0.49 115.31 118.61 2dxb h LEU 79 Ca 0.07 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 2dxb h LEU 79 Cb 0.80 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2dxb h LEU 79 CO 0.07 0.89 -0.38 0.00 0.09 0.00 0.00 178.44 179.10 2dxb h ALA 80 N 1.27 0.26 -0.62 1.53 0.00 -1.15 0.11 119.26 120.66 2dxb h ALA 80 Ca 0.28 -0.45 0.12 0.00 0.00 0.00 0.00 54.91 54.86 2dxb h ALA 80 Cb 0.11 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.77 2dxb h ALA 80 CO -0.04 0.35 0.08 2.35 0.00 0.00 0.00 179.25 181.99 2dxb h TRP 81 N 0.17 0.11 -0.29 0.00 7.01 -0.23 -0.86 115.95 121.88 2dxb h TRP 81 Ca -0.00 0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.04 2dxb h TRP 81 Cb 0.99 0.05 0.00 0.00 -2.10 0.00 0.00 29.16 28.10 2dxb h TRP 81 CO 0.10 -0.09 0.00 0.54 -2.79 0.00 0.00 178.44 176.20 2dxb n ARG 82 N -5.19 2.86 -1.63 2.65 5.12 -0.23 -4.93 116.66 115.31 2dxb n ARG 82 Ca 0.10 -1.53 -0.11 0.00 -1.93 0.00 0.00 57.85 54.38 2dxb n ARG 82 Cb 0.35 -1.85 -0.03 0.00 -1.16 0.00 0.00 32.46 29.77 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 0.35 0.78 0.11 -0.13 0.00 -0.33 -4.90 105.19 101.07 2dxb n GLY 83 Ca 0.13 -0.48 -0.02 0.00 0.00 0.00 0.00 46.02 45.65 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 1.40 -2.31 1.61 2.07 -0.98 -3.47 116.25 114.56 2dxb h VAL 84 Ca -0.24 -2.61 0.18 0.00 0.82 0.00 0.00 66.70 64.85 2dxb h VAL 84 Cb 0.89 2.46 -0.08 0.00 -1.52 0.00 0.00 31.29 33.04 2dxb h VAL 84 CO 0.33 0.72 0.50 -1.66 0.02 0.00 0.00 177.57 177.47 2dxb s TRP 85 N -3.13 -0.12 0.29 1.57 -2.14 -1.24 -5.01 118.94 109.15 2dxb s TRP 85 Ca 0.01 -0.18 0.08 0.00 2.66 0.00 0.00 56.10 58.67 2dxb s TRP 85 Cb 0.11 0.64 -0.03 0.00 -3.10 0.00 0.00 33.47 31.08 2dxb s TRP 85 CO 0.77 -0.81 0.20 0.95 -2.66 0.00 0.00 176.95 175.40 2dxb s THR 86 N -3.26 3.91 0.41 0.66 -4.23 -1.26 -4.07 115.64 107.80 2dxb s THR 86 Ca 0.12 -1.47 0.11 0.00 -1.18 0.00 0.00 61.69 59.27 2dxb s THR 86 Cb -0.01 -3.23 0.32 0.00 1.34 0.00 0.00 72.50 70.91 2dxb s THR 86 CO 0.02 -0.28 1.97 0.00 -0.54 0.00 0.00 174.62 175.79 2dxb h ALA 87 N 1.46 1.92 -0.37 3.99 0.00 -1.96 -1.51 119.26 122.79 2dxb h ALA 87 Ca -0.46 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 2dxb h ALA 87 Cb 1.25 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2dxb h ALA 87 CO 0.60 -0.05 -0.15 0.93 0.00 0.00 0.00 179.25 180.58 2dxb h GLU 88 N 0.51 0.67 -0.43 0.00 4.39 -1.99 -0.74 114.58 116.99 2dxb h GLU 88 Ca 0.29 -0.23 -0.11 0.00 0.34 0.00 0.00 59.36 59.66 2dxb h GLU 88 Cb 0.46 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 2dxb h GLU 88 CO -0.09 0.79 -0.16 0.93 -1.16 0.00 0.00 179.01 179.32 2dxb h GLU 89 N 0.60 0.81 0.11 2.33 5.08 -1.69 -2.19 114.58 119.63 2dxb h GLU 89 Ca 0.10 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 2dxb h GLU 89 Cb 0.60 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2dxb h GLU 89 CO 0.04 0.91 -0.05 -0.09 -1.00 0.00 0.00 179.01 178.82 2dxb h ARG 90 N 0.72 -0.15 -0.63 2.33 2.43 -0.89 -2.27 114.38 115.92 2dxb h ARG 90 Ca 0.11 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.37 2dxb h ARG 90 Cb 0.66 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.18 2dxb h ARG 90 CO 0.05 0.01 0.29 0.00 -1.51 0.00 0.00 179.97 178.81 2dxb h ARG 91 N -0.28 0.51 -0.51 0.20 3.08 -1.04 0.77 114.38 117.11 2dxb h ARG 91 Ca -0.02 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 2dxb h ARG 91 Cb 0.23 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 2dxb h ARG 91 CO 0.03 0.33 0.30 -0.09 -1.07 0.00 0.00 179.97 179.47 2dxb h ARG 92 N 0.52 0.69 -0.17 0.04 1.12 -1.32 0.37 114.38 115.63 2dxb h ARG 92 Ca 0.30 -0.07 -0.18 0.00 -1.11 0.00 0.00 59.98 58.92 2dxb h ARG 92 Cb 0.30 -0.14 0.01 0.00 -0.01 0.00 0.00 29.97 30.12 2dxb h ARG 92 CO -0.25 0.51 -0.61 0.87 -3.11 0.00 0.00 179.97 177.38 2dxb h LYS 93 N 0.68 0.71 0.06 0.20 1.57 -0.77 0.33 116.57 119.35 2dxb h LYS 93 Ca 0.18 -0.54 -0.20 0.00 -1.87 0.00 0.00 60.65 58.22 2dxb h LYS 93 Cb -0.00 0.10 0.02 0.00 0.08 0.00 0.00 32.23 32.43 2dxb h LYS 93 CO -0.03 1.16 -0.82 0.37 -0.57 0.00 0.00 179.45 179.56 2dxb h GLN 94 N 0.41 0.45 -0.01 3.15 4.15 0.65 -3.11 115.11 120.80 2dxb h GLN 94 Ca -0.03 -0.56 0.00 0.00 0.77 0.00 0.00 58.65 58.83 2dxb h GLN 94 Cb 1.24 0.18 0.00 0.00 0.21 0.00 0.00 27.48 29.11 2dxb h GLN 94 CO 0.13 1.21 -0.61 0.09 -1.93 0.00 0.00 178.83 177.72 2dxb n ASN 95 N -4.08 1.54 0.08 -0.69 3.02 0.13 -4.58 115.26 110.67 2dxb n ASN 95 Ca -0.12 -1.27 0.00 0.00 -0.03 0.00 0.00 54.58 53.16 2dxb n ASN 95 Cb 0.79 0.67 0.00 0.00 -0.61 0.00 0.00 39.78 40.63 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 0.42 0.00 5.19 -0.97 -0.98 116.42 120.08 2dxb h ASP 97 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2dxb h ASP 97 Cb 0.04 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.55 2dxb h ASP 97 CO 0.00 0.00 0.00 -0.37 -3.12 0.00 0.00 179.24 175.75 2dxb h VAL 98 N 0.00 0.00 0.00 -1.35 -1.51 -1.79 -3.49 116.25 108.11 2dxb h VAL 98 Ca 0.33 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.61 2dxb h VAL 98 Cb 1.44 1.02 0.00 0.00 -2.13 0.00 0.00 31.29 31.62 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 -0.62 -1.76 0.36 5.19 0.00 -0.37 -4.36 105.19 103.62 2dxb n GLY 99 Ca -0.01 -1.47 -0.07 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.19 0.52 1.61 5.75 -1.94 -0.45 115.11 120.41 2dxb h GLN 100 Ca 0.00 0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.50 2dxb h GLN 100 Cb 0.00 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 2dxb h GLN 100 CO 0.00 -0.13 -0.40 1.15 -2.65 0.00 0.00 178.83 176.80 2dxb h THR 101 N -0.20 0.20 -0.49 2.39 2.02 -2.00 -2.86 112.91 111.97 2dxb h THR 101 Ca 0.21 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.34 2dxb h THR 101 Cb 0.56 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 2dxb h THR 101 CO -0.66 0.00 0.11 0.58 0.37 0.00 0.00 175.52 175.92 2dxb h VAL 102 N -0.90 1.21 -0.97 3.16 2.07 -1.74 0.21 116.25 119.29 2dxb h VAL 102 Ca -0.06 -0.78 0.12 0.00 0.82 0.00 0.00 66.70 66.80 2dxb h VAL 102 Cb 0.76 0.73 -0.08 0.00 -1.52 0.00 0.00 31.29 31.18 2dxb h VAL 102 CO 0.01 0.29 0.62 0.22 0.02 0.00 0.00 177.57 178.72 2dxb h TYR 103 N 0.72 1.08 0.00 1.57 3.20 -0.88 -1.86 116.97 120.79 2dxb h TYR 103 Ca 0.16 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.06 2dxb h TYR 103 Cb 0.29 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.21 2dxb h TYR 103 CO 0.01 0.44 -1.26 1.28 -1.64 0.00 0.00 178.16 176.99 2dxb n LEU 104 N -4.59 0.19 0.03 2.82 4.77 -1.10 -4.59 117.00 114.54 2dxb n LEU 104 Ca 0.18 -0.16 -0.09 0.00 -0.03 0.00 0.00 56.01 55.91 2dxb n LEU 104 Cb 0.35 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.31 2dxb n LEU 104 CO 0.28 0.05 -0.14 1.23 -1.33 0.00 0.00 177.39 177.48 2dxb h GLY 105 N 2.56 0.04 -3.07 -0.72 0.00 -0.45 -3.47 103.07 97.97 2dxb h GLY 105 Ca 0.00 -0.10 -0.46 0.00 0.00 0.00 0.00 47.33 46.77 2dxb h GLY 105 CO 0.00 0.09 -0.38 1.06 0.00 0.00 0.00 176.54 177.31 2dxb s MET 106 N -2.66 3.42 0.60 4.80 -1.94 -0.71 -5.04 119.30 117.77 2dxb s MET 106 Ca -0.02 -0.71 -0.18 0.00 -1.71 0.00 0.00 55.69 53.08 2dxb s MET 106 Cb 0.09 -2.84 -0.03 0.00 2.01 0.00 0.00 34.83 34.06 2dxb s MET 106 CO 0.83 0.35 1.15 -2.14 -0.01 0.00 0.00 175.02 175.19 2dxb s PRO 107 N -4.06 3.01 0.06 2.03 0.02 -1.26 -4.88 135.00 129.92 2dxb s PRO 107 Ca 0.36 1.60 -0.15 0.00 0.02 0.00 0.00 61.00 62.83 2dxb s PRO 107 Cb -0.09 -1.96 -0.05 0.00 0.02 0.00 0.00 34.50 32.42 2dxb s PRO 107 CO 0.30 -1.13 1.26 -0.92 -0.33 0.00 0.00 177.00 176.18 2dxb h TYR 108 N 0.66 -0.81 0.00 6.54 3.20 -1.97 0.29 116.97 124.89 2dxb h TYR 108 Ca -0.49 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.42 2dxb h TYR 108 Cb 1.27 0.38 0.00 0.00 1.54 0.00 0.00 36.73 39.92 2dxb h TYR 108 CO 0.51 -0.23 0.00 0.66 -1.64 0.00 0.00 178.16 177.46 2dxb n TYR 109 N -3.96 0.75 -0.17 -3.82 4.01 -1.26 -1.84 117.16 110.88 2dxb n TYR 109 Ca -0.02 0.31 -0.09 0.00 -0.16 0.00 0.00 57.90 57.94 2dxb n TYR 109 Cb 0.16 -1.00 0.04 0.00 -0.31 0.00 0.00 39.34 38.23 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 1.95 1.06 1.53 2.72 0.00 -1.33 -1.14 103.07 107.86 2dxb h GLY 110 Ca 0.00 -0.83 -0.14 0.00 0.00 0.00 0.00 47.33 46.35 2dxb h GLY 110 CO 0.00 0.76 -0.48 3.21 0.00 0.00 0.00 176.54 180.04 2dxb h ARG 111 N 0.87 0.50 -0.17 4.80 3.08 -0.56 -1.46 114.38 121.44 2dxb h ARG 111 Ca 0.14 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 2dxb h ARG 111 Cb 0.65 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 2dxb h ARG 111 CO 0.04 0.87 0.09 -1.49 -1.07 0.00 0.00 179.97 178.41 2dxb h TRP 112 N 0.40 0.25 -0.23 3.04 4.06 -1.31 -1.80 115.95 120.35 2dxb h TRP 112 Ca 0.02 -0.01 -0.02 0.00 2.06 0.00 0.00 58.89 60.94 2dxb h TRP 112 Cb 0.99 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 29.06 2dxb h TRP 112 CO 0.04 0.27 0.07 1.25 -3.56 0.00 0.00 178.44 176.51 2dxb h LEU 113 N 0.16 0.34 -0.99 -4.49 5.85 -1.11 -1.21 115.31 113.85 2dxb h LEU 113 Ca 0.06 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.60 2dxb h LEU 113 Cb 0.11 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 2dxb h LEU 113 CO -0.01 0.45 0.65 -0.07 -0.34 0.00 0.00 178.44 179.13 2dxb h LEU 114 N 0.21 1.10 -0.81 2.25 3.38 -1.25 -2.21 115.31 117.98 2dxb h LEU 114 Ca 0.08 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 2dxb h LEU 114 Cb 0.24 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2dxb h LEU 114 CO -0.00 0.77 -0.54 0.74 0.09 0.00 0.00 178.44 179.50 2dxb h THR 115 N 1.28 1.37 -0.52 0.22 2.02 -1.12 -0.08 112.91 116.09 2dxb h THR 115 Ca 0.38 -1.83 -0.04 0.00 0.77 0.00 0.00 66.41 65.69 2dxb h THR 115 Cb -0.06 1.92 -0.02 0.00 -1.74 0.00 0.00 68.15 68.26 2dxb h THR 115 CO -0.11 0.54 0.18 0.00 0.37 0.00 0.00 175.52 176.50 2dxb h ALA 116 N 1.32 0.68 -0.47 6.16 0.00 -0.65 -0.55 119.26 125.75 2dxb h ALA 116 Ca 0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 2dxb h ALA 116 Cb 0.99 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2dxb h ALA 116 CO 0.08 0.32 -0.03 0.00 0.00 0.00 0.00 179.25 179.61 2dxb h ALA 117 N 1.03 1.06 -0.53 0.00 0.00 -1.14 -3.10 119.26 116.58 2dxb h ALA 117 Ca 0.17 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2dxb h ALA 117 Cb 0.25 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2dxb h ALA 117 CO -0.01 0.59 0.26 -0.09 0.00 0.00 0.00 179.25 179.99 2dxb h ARG 118 N 0.74 0.76 -0.29 0.00 9.65 -0.26 -2.91 114.38 122.06 2dxb h ARG 118 Ca 0.14 -0.11 -0.07 0.00 -1.10 0.00 0.00 59.98 58.84 2dxb h ARG 118 Cb 0.50 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.92 2dxb h ARG 118 CO 0.03 0.62 -0.11 0.97 2.80 0.00 0.00 179.97 184.28 2dxb h ILE 119 N 0.71 1.23 -0.82 1.20 6.09 -1.06 0.19 117.51 125.04 2dxb h ILE 119 Ca 0.18 -0.99 -0.00 0.00 -1.37 0.00 0.00 64.86 62.68 2dxb h ILE 119 Cb 0.11 1.13 -0.04 0.00 0.47 0.00 0.00 36.82 38.49 2dxb h ILE 119 CO -0.02 0.32 0.51 -0.07 -3.07 0.00 0.00 178.15 175.82 2dxb h LEU 120 N 0.46 0.97 0.07 2.19 3.38 -1.46 -1.83 115.31 119.09 2dxb h LEU 120 Ca 0.09 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 2dxb h LEU 120 Cb 0.47 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.99 2dxb h LEU 120 CO 0.03 0.73 -0.42 0.58 0.09 0.00 0.00 178.44 179.45 2dxb h VAL 121 N 1.12 1.65 -0.39 1.22 2.07 -1.30 0.12 116.25 120.74 2dxb h VAL 121 Ca 0.30 -2.44 -0.01 0.00 0.82 0.00 0.00 66.70 65.36 2dxb h VAL 121 Cb -0.07 3.29 -0.02 0.00 -1.52 0.00 0.00 31.29 32.97 2dxb h VAL 121 CO -0.06 0.66 0.19 0.44 0.02 0.00 0.00 177.57 178.82 2dxb h ASP 122 N -0.69 0.48 -0.50 0.57 3.32 -0.93 -0.99 116.42 117.68 2dxb h ASP 122 Ca -0.07 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.94 2dxb h ASP 122 Cb 1.32 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.75 2dxb h ASP 122 CO 0.07 0.42 0.00 0.29 -1.72 0.00 0.00 179.24 178.30 2dxb n LYS 123 N -4.41 2.48 -3.30 3.56 5.02 -0.69 -4.95 118.16 115.88 2dxb n LYS 123 Ca 0.03 -1.93 -0.24 0.00 -2.02 0.00 0.00 58.31 54.15 2dxb n LYS 123 Cb 0.12 -1.52 0.03 0.00 -0.02 0.00 0.00 35.03 33.64 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 0.91 -4.80 0.15 1.97 6.02 -0.38 -4.86 117.38 116.40 2dxb n GLN 124 Ca 0.18 0.73 0.06 0.00 -0.01 0.00 0.00 57.00 57.96 2dxb n GLN 124 Cb 0.52 -5.56 0.06 0.00 1.02 0.00 0.00 30.24 26.28 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 -1.47 0.00 -3.39 1.08 0.04 -1.02 -3.45 116.94 108.73 2dxb h PHE 125 Ca -0.51 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.13 2dxb h PHE 125 Cb 1.34 0.00 -0.20 0.00 2.20 0.00 0.00 35.95 39.29 2dxb h PHE 125 CO 0.58 0.29 -0.42 0.14 -0.60 0.00 0.00 178.31 178.29 2dxb s VAL 126 N -3.08 0.08 0.54 -0.55 -7.23 -0.94 -5.04 120.40 104.18 2dxb s VAL 126 Ca 0.04 -0.66 -0.07 0.00 -1.81 0.00 0.00 61.98 59.48 2dxb s VAL 126 Cb 0.07 -0.54 -0.03 0.00 0.56 0.00 0.00 36.38 36.44 2dxb s VAL 126 CO 0.73 -0.36 0.88 0.42 -0.31 0.00 0.00 175.10 176.46 2dxb s THR 127 N -1.51 4.71 0.42 5.32 -4.23 -1.26 -4.19 115.64 114.90 2dxb s THR 127 Ca -0.13 0.41 0.11 0.00 -1.18 0.00 0.00 61.69 60.90 2dxb s THR 127 Cb -0.06 -3.82 0.19 0.00 1.34 0.00 0.00 72.50 70.14 2dxb s THR 127 CO 0.02 -0.91 1.98 0.25 -0.54 0.00 0.00 174.62 175.41 2dxb h LEU 128 N -0.01 0.17 -0.53 4.79 5.85 -1.96 -1.61 115.31 122.00 2dxb h LEU 128 Ca -0.46 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.22 2dxb h LEU 128 Cb 1.21 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 2dxb h LEU 128 CO 0.62 0.28 0.27 0.74 -0.34 0.00 0.00 178.44 180.01 2dxb h THR 129 N 0.18 1.19 -0.71 1.05 2.02 -1.99 0.20 112.91 114.86 2dxb h THR 129 Ca 0.04 -0.53 -0.05 0.00 0.77 0.00 0.00 66.41 66.64 2dxb h THR 129 Cb 0.27 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 2dxb h THR 129 CO 0.01 0.21 0.26 -0.33 0.37 0.00 0.00 175.52 176.05 2dxb h GLU 130 N 0.72 1.06 -0.12 6.66 5.08 -1.69 0.15 114.58 126.44 2dxb h GLU 130 Ca 0.19 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2dxb h GLU 130 Cb 0.10 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 2dxb h GLU 130 CO -0.03 0.88 -0.01 1.25 -1.00 0.00 0.00 179.01 180.10 2dxb h LEU 131 N 1.04 0.22 -0.46 1.33 5.85 -0.82 -1.10 115.31 121.38 2dxb h LEU 131 Ca 0.24 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 2dxb h LEU 131 Cb 0.23 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2dxb h LEU 131 CO -0.02 0.50 0.27 0.45 -0.34 0.00 0.00 178.44 179.31 2dxb h HIS 132 N -0.07 0.61 -0.76 1.25 3.86 -0.35 -1.95 115.15 117.73 2dxb h HIS 132 Ca 0.03 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 2dxb h HIS 132 Cb 0.40 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 28.63 2dxb h HIS 132 CO 0.04 0.43 0.42 -0.91 0.86 0.00 0.00 177.93 178.77 2dxb h ASN 133 N 0.61 0.95 -0.78 2.45 2.35 -0.67 -1.59 115.58 118.90 2dxb h ASN 133 Ca 0.16 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 2dxb h ASN 133 Cb 0.00 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.09 2dxb h ASN 133 CO -0.03 0.78 0.42 0.50 -1.65 0.00 0.00 177.43 177.44 2dxb h LYS 134 N 1.06 1.10 -0.44 0.81 1.63 -0.89 -0.43 116.57 119.42 2dxb h LYS 134 Ca 0.27 -0.13 -0.12 0.00 -0.85 0.00 0.00 60.65 59.81 2dxb h LYS 134 Cb 0.03 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.44 2dxb h LYS 134 CO -0.04 0.82 -0.22 0.82 -3.45 0.00 0.00 179.45 177.38 2dxb h ILE 135 N 1.10 1.27 -0.20 2.00 2.04 -0.97 -0.87 117.51 121.89 2dxb h ILE 135 Ca 0.28 -1.36 -0.02 0.00 1.00 0.00 0.00 64.86 64.76 2dxb h ILE 135 Cb 0.05 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 2dxb h ILE 135 CO -0.04 0.46 0.04 0.58 0.00 0.00 0.00 178.15 179.18 2dxb h VAL 136 N 0.76 1.22 -0.86 1.67 2.07 -0.80 -1.22 116.25 119.09 2dxb h VAL 136 Ca 0.10 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.91 2dxb h VAL 136 Cb 0.76 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 2dxb h VAL 136 CO 0.06 0.22 0.55 -0.08 0.02 0.00 0.00 177.57 178.34 2dxb h GLU 137 N 0.12 1.16 -0.19 1.57 4.22 -0.99 -2.12 114.58 118.35 2dxb h GLU 137 Ca 0.06 -0.09 -0.01 0.00 0.08 0.00 0.00 59.36 59.41 2dxb h GLU 137 Cb 0.30 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2dxb h GLU 137 CO 0.00 0.79 0.10 0.52 -2.18 0.00 0.00 179.01 178.24 2dxb h MET 138 N 1.18 0.27 -0.61 1.92 2.86 -0.96 0.21 114.93 119.80 2dxb h MET 138 Ca 0.31 -0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.99 2dxb h MET 138 Cb -0.09 -0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.46 2dxb h MET 138 CO -0.06 0.28 0.29 0.00 1.06 0.00 0.00 176.91 178.47 2dxb h ARG 139 N 0.20 0.51 -0.35 1.72 3.08 -0.96 -1.43 114.38 117.15 2dxb h ARG 139 Ca 0.07 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 59.96 2dxb h ARG 139 Cb 0.09 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2dxb h ARG 139 CO -0.01 0.34 -0.30 0.93 -1.07 0.00 0.00 179.97 179.86 2dxb h GLU 140 N 0.53 0.74 -0.02 0.04 5.08 -1.20 -1.53 114.58 118.21 2dxb h GLU 140 Ca 0.29 -0.33 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 2dxb h GLU 140 Cb 0.27 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 2dxb h GLU 140 CO -0.23 0.95 -0.20 -0.09 -1.00 0.00 0.00 179.01 178.44 2dxb h ARG 141 N 0.63 -0.30 -0.37 2.33 2.43 0.01 0.18 114.38 119.29 2dxb h ARG 141 Ca 0.07 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 2dxb h ARG 141 Cb 0.82 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.42 2dxb h ARG 141 CO 0.07 -0.20 0.16 0.28 -1.51 0.00 0.00 179.97 178.77 2dxb h VAL 142 N -0.31 1.18 -0.93 0.20 2.07 -1.22 -2.89 116.25 114.35 2dxb h VAL 142 Ca 0.06 -0.53 0.04 0.00 0.82 0.00 0.00 66.70 67.09 2dxb h VAL 142 Cb 0.40 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 2dxb h VAL 142 CO -0.20 0.19 0.61 0.00 0.02 0.00 0.00 177.57 178.19 2dxb h ALA 143 N 1.01 1.43 0.00 1.67 0.00 -0.82 -2.48 119.26 120.06 2dxb h ALA 143 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2dxb h ALA 143 Cb 0.15 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2dxb h ALA 143 CO -0.01 0.47 0.00 -1.13 0.00 0.00 0.00 179.25 178.58 2dxb n SER 144 N -4.45 0.47 0.00 0.00 3.41 0.59 -4.88 113.62 108.76 2dxb n SER 144 Ca 0.13 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.32 2dxb n SER 144 Cb 0.12 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.38 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 0.54 0.74 0.27 5.00 0.00 -0.93 -4.92 105.19 105.88 2dxb n GLY 145 Ca 0.04 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.20 2dxb n GLY 145 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2dxb h GLN 146 N 3.67 0.00 0.00 1.61 4.15 -1.74 -3.40 115.11 119.40 2dxb h GLN 146 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2dxb h GLN 146 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 2dxb h GLN 146 CO 0.00 0.09 0.00 0.41 -1.93 0.00 0.00 178.83 177.40 2dxb n GLY 147 N -0.55 1.37 2.69 2.39 0.00 -1.25 -4.20 105.19 105.65 2dxb n GLY 147 Ca -0.01 -2.09 -0.20 0.00 0.00 0.00 0.00 46.02 43.72 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 0.00 0.17 0.00 0.99 0.20 0.12 -4.08 118.68 116.08 2dxb s LEU 148 Ca 0.00 -1.68 0.00 0.00 0.69 0.00 0.00 54.13 53.14 2dxb s LEU 148 Cb 0.00 0.34 0.00 0.00 -0.43 0.00 0.00 46.19 46.10 2dxb s LEU 148 CO 0.00 -0.28 0.00 0.61 -0.29 0.00 0.00 176.35 176.39 2dxb n GLY 149 N 4.25 2.18 0.20 7.98 0.00 -1.26 -1.20 105.19 117.34 2dxb n GLY 149 Ca 0.11 -0.16 0.14 0.00 0.00 0.00 0.00 46.02 46.10 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 14.00 0.84 0.05 1.61 0.28 -1.26 -4.01 120.64 132.15 2dxb n GLU 150 Ca 0.00 -0.41 -0.20 0.00 -0.16 0.00 0.00 57.16 56.39 2dxb n GLU 150 Cb 0.00 -1.49 -0.13 0.00 1.43 0.00 0.00 31.44 31.25 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 0.99 0.75 -3.27 -1.84 0.05 -1.61 -3.45 116.97 108.60 2dxb h TYR 151 Ca 0.00 -0.47 -0.34 0.00 0.05 0.00 0.00 58.73 57.96 2dxb h TYR 151 Cb 0.43 -0.06 -0.38 0.00 1.01 0.00 0.00 36.73 37.73 2dxb h TYR 151 CO 0.00 1.33 -0.71 -1.17 -1.05 0.00 0.00 178.16 176.56 2dxb s LEU 152 N -8.02 0.17 0.79 3.88 2.96 -0.66 -4.98 118.68 112.81 2dxb s LEU 152 Ca -0.12 0.14 -0.11 0.00 -0.22 0.00 0.00 54.13 53.82 2dxb s LEU 152 Cb 0.03 -0.02 0.06 0.00 0.50 0.00 0.00 46.19 46.76 2dxb s LEU 152 CO 0.87 -0.24 1.08 -2.16 -1.32 0.00 0.00 176.35 174.59 2dxb s PRO 153 N 2.10 2.16 0.00 0.98 0.04 -1.26 0.16 135.00 139.17 2dxb s PRO 153 Ca 0.03 0.92 0.05 0.00 0.04 0.00 0.00 61.00 62.05 2dxb s PRO 153 Cb -0.12 -1.90 0.31 0.00 0.04 0.00 0.00 34.50 32.83 2dxb s PRO 153 CO -0.04 -1.64 0.78 -2.30 0.04 0.00 0.00 177.00 173.84