#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dex s HIS 13 N 0.00 2.67 -0.14 4.78 4.02 -1.18 -4.90 115.29 120.54 3dex s HIS 13 Ca 0.00 -0.49 -0.04 0.00 1.02 0.00 0.00 55.06 55.55 3dex s HIS 13 Cb 0.00 -1.70 -0.03 0.00 -1.02 0.00 0.00 32.58 29.83 3dex s HIS 13 CO 0.00 -0.07 -0.01 1.03 1.02 0.00 0.00 174.74 176.71 3dex s ARG 14 N -0.18 3.55 0.04 1.40 0.52 -1.26 -0.71 118.95 122.31 3dex s ARG 14 Ca -0.01 -0.47 0.09 0.00 -0.52 0.00 0.00 55.73 54.82 3dex s ARG 14 Cb -0.13 -2.93 -0.03 0.00 0.52 0.00 0.00 34.95 32.38 3dex s ARG 14 CO 0.03 0.36 -0.24 0.08 0.02 0.00 0.00 175.30 175.55 3dex s VAL 15 N 0.05 2.31 0.01 3.52 1.01 -0.93 -0.60 120.40 125.77 3dex s VAL 15 Ca 0.01 -1.33 0.01 0.00 0.00 0.00 0.00 61.98 60.68 3dex s VAL 15 Cb -0.13 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 3dex s VAL 15 CO 0.02 0.37 -0.05 -1.58 0.00 0.00 0.00 175.10 173.86 3dex s GLN 16 N -1.27 0.36 -0.15 2.72 0.74 -0.26 -0.68 119.66 121.12 3dex s GLN 16 Ca 0.12 -0.29 0.00 0.00 0.05 0.00 0.00 55.36 55.24 3dex s GLN 16 Cb -0.10 -0.28 0.03 0.00 1.10 0.00 0.00 33.01 33.76 3dex s GLN 16 CO 0.03 0.07 -0.10 0.42 -0.55 0.00 0.00 175.29 175.15 3dex s ILE 17 N -0.44 1.36 -0.29 -2.34 1.01 0.48 -0.44 121.20 120.54 3dex s ILE 17 Ca -0.02 -0.59 -0.08 0.00 0.00 0.00 0.00 60.65 59.96 3dex s ILE 17 Cb -0.04 -1.37 -0.00 0.00 0.01 0.00 0.00 42.46 41.07 3dex s ILE 17 CO -0.00 0.34 0.10 -0.70 0.00 0.00 0.00 174.94 174.68 3dex s GLU 18 N 1.56 3.25 0.00 2.79 2.12 -0.24 -0.75 118.70 127.43 3dex s GLU 18 Ca 0.03 -0.76 0.05 0.00 0.36 0.00 0.00 54.97 54.66 3dex s GLU 18 Cb -0.14 -3.43 -0.03 0.00 0.26 0.00 0.00 34.13 30.79 3dex s GLU 18 CO -0.09 -0.40 -0.15 1.52 -0.54 0.00 0.00 175.26 175.60 3dex s TYR 19 N 1.56 2.66 -0.11 5.30 1.13 -1.02 -1.12 117.35 125.75 3dex s TYR 19 Ca 0.04 -0.19 -0.29 0.00 -1.41 0.00 0.00 57.07 55.22 3dex s TYR 19 Cb -0.17 -1.54 -0.05 0.00 -1.10 0.00 0.00 41.96 39.10 3dex s TYR 19 CO 0.04 0.25 1.64 0.00 -2.51 0.00 0.00 175.55 174.97 3dex h THR 21 N 5.75 1.31 -0.30 0.00 1.03 -1.61 -2.97 112.91 116.12 3dex h THR 21 Ca -0.37 -1.26 -0.02 0.00 -0.01 0.00 0.00 66.41 64.75 3dex h THR 21 Cb 1.17 1.59 -0.02 0.00 -1.07 0.00 0.00 68.15 69.82 3dex h THR 21 CO 0.97 0.39 0.08 1.56 -0.01 0.00 0.00 175.52 178.51 3dex h GLN 22 N 0.26 0.42 0.00 0.00 1.08 -1.80 -1.45 115.11 113.62 3dex h GLN 22 Ca 0.05 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3dex h GLN 22 Cb 0.67 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 3dex h GLN 22 CO 0.04 0.38 0.00 0.00 -0.95 0.00 0.00 178.83 178.30 3dex n ARG 24 N -0.74 -5.79 -0.64 0.00 5.12 -0.55 -4.89 116.66 109.18 3dex n ARG 24 Ca 0.09 0.67 0.09 0.00 -1.93 0.00 0.00 57.85 56.77 3dex n ARG 24 Cb 0.04 -5.47 0.36 0.00 -1.16 0.00 0.00 32.46 26.23 3dex n ARG 24 CO 0.00 0.00 0.00 0.91 -1.93 0.00 0.00 177.63 176.61 3dex n TRP 25 N -4.50 1.54 0.08 -1.55 8.01 -1.13 -4.47 117.44 115.42 3dex n TRP 25 Ca -0.14 -0.61 -0.13 0.00 -1.31 0.00 0.00 57.50 55.31 3dex n TRP 25 Cb 0.61 -0.26 -0.07 0.00 -2.01 0.00 0.00 31.31 29.57 3dex n TRP 25 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.69 177.93 3dex h LEU 26 N 4.11 -0.09 -0.89 -0.99 5.85 -1.89 -1.71 115.31 119.70 3dex h LEU 26 Ca 0.00 -0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.81 3dex h LEU 26 Cb 1.49 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 42.46 3dex h LEU 26 CO 0.25 -0.04 0.51 1.55 -0.34 0.00 0.00 178.44 180.38 3dex h PRO 27 N -0.14 0.79 0.00 5.25 0.13 -1.99 0.20 132.00 136.23 3dex h PRO 27 Ca -0.01 -0.05 -0.11 0.00 -0.87 0.00 0.00 66.00 64.96 3dex h PRO 27 Cb 0.11 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 31.05 3dex h PRO 27 CO 0.02 0.52 -0.53 0.07 -0.23 0.00 0.00 178.00 177.85 3dex h ARG 28 N 0.81 0.00 -0.22 0.86 0.11 -1.83 -0.90 114.38 113.20 3dex h ARG 28 Ca 0.45 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.45 3dex h ARG 28 Cb 0.48 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.55 3dex h ARG 28 CO -0.28 0.53 -0.16 0.00 0.10 0.00 0.00 179.97 180.15 3dex h ALA 29 N 1.47 0.32 -0.86 0.08 0.00 -0.34 -1.81 119.26 118.12 3dex h ALA 29 Ca -0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 3dex h ALA 29 Cb 1.12 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 3dex h ALA 29 CO 0.07 0.22 0.48 0.00 0.00 0.00 0.00 179.25 180.02 3dex h ALA 30 N 0.69 1.21 -0.14 0.00 0.00 -0.42 -0.87 119.26 119.73 3dex h ALA 30 Ca 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3dex h ALA 30 Cb 0.69 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3dex h ALA 30 CO 0.04 0.64 0.04 2.35 0.00 0.00 0.00 179.25 182.33 3dex h TRP 31 N 1.21 0.22 -0.87 0.00 7.01 -1.06 -2.21 115.95 120.25 3dex h TRP 31 Ca 0.31 -0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.29 3dex h TRP 31 Cb 0.02 -0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 26.97 3dex h TRP 31 CO 0.01 0.34 0.57 1.25 -2.79 0.00 0.00 178.44 177.81 3dex h LEU 32 N 0.05 1.01 -0.79 0.65 6.46 -1.03 -1.03 115.31 120.63 3dex h LEU 32 Ca 0.04 -0.03 0.02 0.00 -0.12 0.00 0.00 57.88 57.80 3dex h LEU 32 Cb 0.22 -0.25 -0.04 0.00 -0.73 0.00 0.00 40.66 39.85 3dex h LEU 32 CO -0.00 0.73 0.51 0.00 -0.62 0.00 0.00 178.44 179.06 3dex h ALA 33 N 1.45 1.02 -0.43 1.25 0.00 -0.90 0.11 119.26 121.75 3dex h ALA 33 Ca 0.32 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 3dex h ALA 33 Cb -0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 3dex h ALA 33 CO -0.07 0.36 -0.07 0.37 0.00 0.00 0.00 179.25 179.84 3dex h GLN 34 N 1.02 0.81 -0.00 0.00 4.15 -0.75 0.93 115.11 121.26 3dex h GLN 34 Ca 0.30 -0.29 0.00 0.00 0.77 0.00 0.00 58.65 59.43 3dex h GLN 34 Cb -0.05 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 27.59 3dex h GLN 34 CO -0.09 0.91 -0.00 0.93 -1.93 0.00 0.00 178.83 178.65 3dex h GLU 35 N 0.63 -0.01 -0.50 1.69 4.39 -0.57 -1.24 114.58 118.98 3dex h GLU 35 Ca 0.11 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.69 3dex h GLU 35 Cb 0.59 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 3dex h GLU 35 CO 0.04 -0.00 -0.17 -0.07 -1.16 0.00 0.00 179.01 177.65 3dex h LEU 36 N -0.01 1.00 -1.09 1.33 3.38 -0.71 -2.53 115.31 116.68 3dex h LEU 36 Ca 0.00 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.54 3dex h LEU 36 Cb 0.01 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3dex h LEU 36 CO -0.00 1.15 -0.38 -0.07 0.09 0.00 0.00 178.44 179.22 3dex h LEU 37 N 0.87 0.00 0.04 1.67 3.38 -0.71 0.16 115.31 120.71 3dex h LEU 37 Ca 0.12 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.86 3dex h LEU 37 Cb 0.73 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 3dex h LEU 37 CO 0.06 0.38 -1.10 0.00 0.09 0.00 0.00 178.44 177.87 3dex h THR 38 N 0.00 1.63 0.07 0.22 1.03 -1.14 -1.73 112.91 112.98 3dex h THR 38 Ca -0.00 -3.30 -0.28 0.00 -0.01 0.00 0.00 66.41 62.81 3dex h THR 38 Cb 0.81 2.87 -0.02 0.00 -1.07 0.00 0.00 68.15 70.74 3dex h THR 38 CO 0.05 0.94 -1.46 0.74 -0.01 0.00 0.00 175.52 175.78 3dex h THR 39 N 0.02 1.20 -0.06 0.00 2.02 -1.17 -3.38 112.91 111.55 3dex h THR 39 Ca -0.06 -2.90 -0.03 0.00 0.77 0.00 0.00 66.41 64.20 3dex h THR 39 Cb 1.84 2.71 -0.02 0.00 -1.74 0.00 0.00 68.15 70.94 3dex h THR 39 CO 0.15 0.79 -0.43 0.49 0.37 0.00 0.00 175.52 176.89 3dex n PHE 40 N -3.36 0.18 -0.14 3.16 3.01 0.53 -4.78 117.46 116.06 3dex n PHE 40 Ca -0.13 -1.52 0.08 0.00 1.01 0.00 0.00 57.45 56.89 3dex n PHE 40 Cb 1.02 -0.29 0.40 0.00 -0.01 0.00 0.00 39.48 40.61 3dex n PHE 40 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 3dex h GLU 41 N 1.00 0.61 0.00 -1.08 4.11 -1.49 -0.25 114.58 117.48 3dex h GLU 41 Ca 0.04 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3dex h GLU 41 Cb 1.11 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.22 3dex h GLU 41 CO 0.06 0.41 -0.03 -2.37 0.07 0.00 0.00 179.01 177.15 3dex n THR 42 N -4.48 0.53 0.41 -1.06 5.66 -1.26 -3.76 114.28 110.31 3dex n THR 42 Ca 0.10 -0.26 0.05 0.00 -3.05 0.00 0.00 64.05 60.89 3dex n THR 42 Cb 0.27 -0.56 -0.06 0.00 -1.55 0.00 0.00 70.33 68.43 3dex n THR 42 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3dex n GLU 43 N -2.18 3.30 -3.97 1.09 4.71 -0.61 -4.89 120.64 118.10 3dex n GLU 43 Ca 0.06 -0.01 -0.35 0.00 -0.01 0.00 0.00 57.16 56.84 3dex n GLU 43 Cb 0.42 -1.00 -0.09 0.00 -1.01 0.00 0.00 31.44 29.76 3dex n GLU 43 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 3dex s LEU 44 N -2.62 3.97 0.11 -4.62 1.43 -0.20 -3.10 118.68 113.64 3dex s LEU 44 Ca 0.03 0.19 0.03 0.00 -1.03 0.00 0.00 54.13 53.34 3dex s LEU 44 Cb 0.07 -1.99 -0.21 0.00 0.03 0.00 0.00 46.19 44.10 3dex s LEU 44 CO 0.41 0.24 1.25 0.00 0.23 0.00 0.00 176.35 178.48 3dex h THR 45 N 4.58 1.61 -1.25 5.49 1.03 -1.24 -3.45 112.91 119.68 3dex h THR 45 Ca -0.43 -3.20 0.29 0.00 -0.01 0.00 0.00 66.41 63.06 3dex h THR 45 Cb 1.18 2.84 -0.20 0.00 -1.07 0.00 0.00 68.15 70.89 3dex h THR 45 CO 0.67 0.92 0.90 -1.83 -0.01 0.00 0.00 175.52 176.17 3dex s GLU 46 N -2.75 0.17 -0.08 0.00 -1.05 -1.25 -5.04 118.70 108.69 3dex s GLU 46 Ca -0.01 -0.05 0.01 0.00 -0.15 0.00 0.00 54.97 54.77 3dex s GLU 46 Cb 0.09 0.08 0.02 0.00 -0.44 0.00 0.00 34.13 33.88 3dex s GLU 46 CO 0.84 -0.07 -0.10 -1.17 0.95 0.00 0.00 175.26 175.71 3dex s LEU 47 N -2.00 1.44 0.07 1.83 0.20 -1.26 -2.18 118.68 116.80 3dex s LEU 47 Ca 0.10 -0.29 0.06 0.00 0.69 0.00 0.00 54.13 54.69 3dex s LEU 47 Cb -0.01 -0.82 -0.04 0.00 -0.43 0.00 0.00 46.19 44.89 3dex s LEU 47 CO -0.04 -0.03 -0.08 0.00 -0.29 0.00 0.00 176.35 175.91 3dex s ALA 48 N 1.11 3.01 -0.22 5.97 0.00 0.15 -4.99 121.76 126.80 3dex s ALA 48 Ca -0.06 -1.17 -0.04 0.00 0.00 0.00 0.00 51.96 50.69 3dex s ALA 48 Cb -0.14 -1.00 -0.01 0.00 0.00 0.00 0.00 23.12 21.97 3dex s ALA 48 CO -0.02 0.64 -0.02 -0.51 0.00 0.00 0.00 175.76 175.85 3dex s LEU 49 N -2.00 3.02 -0.25 0.00 1.43 -1.26 -0.39 118.68 119.23 3dex s LEU 49 Ca 0.21 -0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 52.94 3dex s LEU 49 Cb -0.11 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.35 3dex s LEU 49 CO 0.13 -0.01 -0.03 -0.75 0.23 0.00 0.00 176.35 175.92 3dex s LYS 50 N 1.40 3.05 0.31 1.70 2.20 0.07 -4.96 119.74 123.51 3dex s LYS 50 Ca 0.05 -0.85 -0.30 0.00 -0.36 0.00 0.00 55.97 54.52 3dex s LYS 50 Cb -0.14 -3.06 -0.11 0.00 -1.51 0.00 0.00 37.83 33.01 3dex s LYS 50 CO -0.01 -0.34 1.58 -2.14 -0.36 0.00 0.00 175.35 174.08 3dex s PRO 51 N 1.40 4.12 0.50 4.03 0.02 -1.26 -2.44 135.00 141.38 3dex s PRO 51 Ca 0.02 2.58 0.02 0.00 0.02 0.00 0.00 61.00 63.65 3dex s PRO 51 Cb -0.16 -3.01 -0.01 0.00 0.02 0.00 0.00 34.50 31.34 3dex s PRO 51 CO -0.03 -0.62 0.07 0.20 -0.33 0.00 0.00 177.00 176.29 3dex s GLY 52 N 0.41 2.86 0.00 0.52 0.00 0.11 -4.84 107.32 106.38 3dex s GLY 52 Ca 0.62 -0.72 0.00 0.00 0.00 0.00 0.00 44.72 44.62 3dex s GLY 52 CO 0.50 -2.14 0.00 2.41 0.00 0.00 0.00 173.10 173.87 3dex n THR 53 N -1.32 0.00 -4.79 0.90 -1.04 -1.26 -2.46 114.28 104.31 3dex n THR 53 Ca -0.15 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.56 3dex n THR 53 Cb 0.66 -0.30 -0.17 0.00 -1.82 0.00 0.00 70.33 68.71 3dex n THR 53 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3dex s GLY 54 N 0.00 1.19 0.00 3.41 0.00 -1.26 -3.97 107.32 106.68 3dex s GLY 54 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 43.86 3dex s GLY 54 CO 0.00 -0.04 0.00 0.61 0.00 0.00 0.00 173.10 173.67 3dex n GLY 55 N 3.88 0.26 3.71 0.20 0.00 -1.26 -4.95 105.19 107.03 3dex n GLY 55 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 3dex n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dex s VAL 56 N -1.75 4.27 -0.38 1.61 1.01 -1.26 -4.81 120.40 119.09 3dex s VAL 56 Ca 0.00 1.64 0.05 0.00 0.00 0.00 0.00 61.98 63.67 3dex s VAL 56 Cb 0.00 -4.05 0.17 0.00 0.00 0.00 0.00 36.38 32.50 3dex s VAL 56 CO 0.00 0.13 0.50 0.12 0.00 0.00 0.00 175.10 175.85 3dex s PHE 57 N 1.00 -1.06 0.08 5.22 5.36 -1.21 0.84 117.98 128.21 3dex s PHE 57 Ca 0.56 -0.16 0.07 0.00 -0.96 0.00 0.00 56.93 56.44 3dex s PHE 57 Cb -0.27 -0.04 -0.03 0.00 -0.34 0.00 0.00 43.02 42.34 3dex s PHE 57 CO 0.29 -1.07 -0.18 0.54 -1.46 0.00 0.00 175.22 173.35 3dex s VAL 58 N 1.78 1.42 -0.14 3.12 0.11 -0.28 -1.63 120.40 124.78 3dex s VAL 58 Ca 0.15 -1.36 -0.01 0.00 -2.93 0.00 0.00 61.98 57.83 3dex s VAL 58 Cb -0.10 -1.31 -0.02 0.00 -1.53 0.00 0.00 36.38 33.43 3dex s VAL 58 CO -0.09 -0.09 -0.10 -0.69 -3.33 0.00 0.00 175.10 170.80 3dex s VAL 59 N -1.13 3.27 -0.01 2.04 1.01 0.46 -1.08 120.40 124.96 3dex s VAL 59 Ca 0.03 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.50 3dex s VAL 59 Cb -0.10 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 3dex s VAL 59 CO 0.03 0.51 -0.24 -0.13 0.00 0.00 0.00 175.10 175.27 3dex s ARG 60 N 0.38 2.12 -0.20 2.72 0.52 0.42 -0.34 118.95 124.57 3dex s ARG 60 Ca -0.09 -0.93 0.01 0.00 -0.52 0.00 0.00 55.73 54.20 3dex s ARG 60 Cb -0.15 -2.08 0.04 0.00 0.52 0.00 0.00 34.95 33.28 3dex s ARG 60 CO 0.05 0.56 -0.09 0.08 0.02 0.00 0.00 175.30 175.92 3dex s VAL 61 N -0.66 1.56 -1.26 3.52 1.01 0.70 -1.11 120.40 124.15 3dex s VAL 61 Ca 0.11 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 3dex s VAL 61 Cb -0.10 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.61 3dex s VAL 61 CO -0.00 0.12 0.93 0.47 0.00 0.00 0.00 175.10 176.62 3dex n ASP 62 N 4.71 -2.33 0.00 3.32 10.43 0.23 -1.86 116.55 131.04 3dex n ASP 62 Ca -0.14 -0.68 0.00 0.00 2.57 0.00 0.00 54.79 56.54 3dex n ASP 62 Cb 0.46 -4.75 0.00 0.00 1.84 0.00 0.00 41.12 38.67 3dex n ASP 62 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3dex n ASP 63 N -3.08 0.00 -4.67 -2.24 8.00 -1.26 -4.97 116.55 108.32 3dex n ASP 63 Ca -0.25 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 54.88 3dex n ASP 63 Cb 0.66 -0.62 -0.08 0.00 -0.02 0.00 0.00 41.12 41.06 3dex n ASP 63 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3dex s GLU 64 N -0.04 4.14 0.01 -1.24 2.02 -0.78 -5.04 118.70 117.77 3dex s GLU 64 Ca 0.00 0.03 -0.30 0.00 0.02 0.00 0.00 54.97 54.72 3dex s GLU 64 Cb 0.00 -3.53 -0.06 0.00 0.10 0.00 0.00 34.13 30.64 3dex s GLU 64 CO 0.00 0.02 1.50 0.54 0.02 0.00 0.00 175.26 177.34 3dex s VAL 65 N 1.16 3.52 -0.03 2.63 0.11 -1.26 -0.22 120.40 126.30 3dex s VAL 65 Ca 0.15 0.89 0.12 0.00 -2.93 0.00 0.00 61.98 60.20 3dex s VAL 65 Cb -0.14 -3.57 -0.18 0.00 -1.53 0.00 0.00 36.38 30.96 3dex s VAL 65 CO 0.06 -0.01 0.23 0.52 -3.33 0.00 0.00 175.10 172.57 3dex n VAL 66 N 4.80 0.13 -3.71 2.04 0.31 0.54 -4.92 118.33 117.52 3dex n VAL 66 Ca 0.14 -0.31 -0.11 0.00 -0.01 0.00 0.00 64.34 64.05 3dex n VAL 66 Cb 0.43 0.07 -0.12 0.00 -0.91 0.00 0.00 33.84 33.31 3dex n VAL 66 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 3dex s TRP 67 N -2.76 -0.51 -0.09 3.52 -0.11 -0.96 -4.97 118.94 113.06 3dex s TRP 67 Ca -0.05 1.11 0.01 0.00 1.22 0.00 0.00 56.10 58.39 3dex s TRP 67 Cb 0.07 0.18 0.02 0.00 -1.50 0.00 0.00 33.47 32.24 3dex s TRP 67 CO 0.50 -0.31 -0.11 0.34 -4.62 0.00 0.00 176.95 172.76 3dex s ASP 68 N 1.41 2.05 0.11 5.86 -1.08 -1.26 -0.40 116.67 123.35 3dex s ASP 68 Ca -0.09 -0.32 -0.33 0.00 -0.52 0.00 0.00 52.55 51.29 3dex s ASP 68 Cb -0.09 -0.88 -0.12 0.00 -1.46 0.00 0.00 42.92 40.37 3dex s ASP 68 CO -0.11 -0.03 1.57 -0.09 0.52 0.00 0.00 175.17 177.02 3dex h ARG 69 N 7.56 -0.68 -1.97 4.34 2.43 -1.50 -0.01 114.38 124.55 3dex h ARG 69 Ca -0.31 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 3dex h ARG 69 Cb 1.16 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 3dex h ARG 69 CO 0.45 -0.46 0.00 2.89 -1.51 0.00 0.00 179.97 181.35 3dex n ARG 70 N -5.48 0.78 0.00 0.20 -4.01 -1.26 0.88 116.66 107.77 3dex n ARG 70 Ca -0.08 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.73 3dex n ARG 70 Cb 0.40 -1.11 0.00 0.00 -3.04 0.00 0.00 32.46 28.71 3dex n ARG 70 CO 0.00 0.00 0.00 -1.91 -3.04 0.00 0.00 177.63 172.68 3dex n GLU 71 N 1.58 0.00 0.00 2.89 4.07 -0.94 -4.92 120.64 123.31 3dex n GLU 71 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3dex n GLU 71 Cb 0.39 -0.18 0.00 0.00 -0.06 0.00 0.00 31.44 31.58 3dex n GLU 71 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 3dex n GLN 72 N -1.00 0.65 0.00 5.31 6.02 -0.06 -5.03 117.38 123.28 3dex n GLN 72 Ca 0.00 -0.67 0.00 0.00 -0.01 0.00 0.00 57.00 56.32 3dex n GLN 72 Cb 0.00 -0.72 0.00 0.00 1.02 0.00 0.00 30.24 30.54 3dex n GLN 72 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dex n GLY 73 N -0.14 -0.70 3.68 1.08 0.00 0.25 -4.86 105.19 104.52 3dex n GLY 73 Ca 0.00 -1.14 -0.44 0.00 0.00 0.00 0.00 46.02 44.44 3dex n GLY 73 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3dex n PHE 74 N -0.10 2.23 -1.90 1.61 7.35 -1.26 -4.32 117.46 121.06 3dex n PHE 74 Ca 0.00 0.46 -0.37 0.00 -0.76 0.00 0.00 57.45 56.78 3dex n PHE 74 Cb 0.00 -2.45 -0.04 0.00 0.35 0.00 0.00 39.48 37.34 3dex n PHE 74 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3dex n PRO 75 N 1.57 2.09 -1.68 -7.13 -0.04 -1.26 -4.94 135.00 123.61 3dex n PRO 75 Ca 0.09 -2.51 -0.45 0.00 -0.04 0.00 0.00 63.50 60.60 3dex n PRO 75 Cb 0.33 -3.41 -0.04 0.00 -0.04 0.00 0.00 33.50 30.34 3dex n PRO 75 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3dex n GLU 76 N 7.71 2.57 -0.34 0.54 0.00 -1.26 -4.84 120.64 125.01 3dex n GLU 76 Ca 0.48 0.94 -0.05 0.00 0.00 0.00 0.00 57.16 58.53 3dex n GLU 76 Cb 0.44 -2.83 -0.02 0.00 0.00 0.00 0.00 31.44 29.03 3dex n GLU 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 3dex n PRO 77 N 6.41 -0.28 0.32 5.31 -0.04 -1.26 -1.65 135.00 143.82 3dex n PRO 77 Ca 0.20 1.29 -0.17 0.00 -0.04 0.00 0.00 63.50 64.78 3dex n PRO 77 Cb 0.35 -1.91 -0.09 0.00 -0.04 0.00 0.00 33.50 31.81 3dex n PRO 77 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3dex h THR 78 N 0.00 0.21 -0.35 0.52 2.02 -1.98 0.13 112.91 113.45 3dex h THR 78 Ca 0.22 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.48 3dex h THR 78 Cb 0.44 0.21 -0.09 0.00 -1.74 0.00 0.00 68.15 66.97 3dex h THR 78 CO -0.82 0.00 -0.29 0.00 0.37 0.00 0.00 175.52 174.78 3dex h ALA 79 N -0.62 -0.14 -0.05 6.16 0.00 -1.81 -0.46 119.26 122.34 3dex h ALA 79 Ca -0.07 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 3dex h ALA 79 Cb 0.77 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 3dex h ALA 79 CO 0.04 -0.70 -0.40 -0.24 0.00 0.00 0.00 179.25 177.96 3dex h VAL 80 N -0.25 1.30 -0.07 0.00 3.04 -1.25 -2.64 116.25 116.38 3dex h VAL 80 Ca 0.17 -1.42 -0.11 0.00 -1.01 0.00 0.00 66.70 64.32 3dex h VAL 80 Cb 0.51 1.71 -0.01 0.00 -2.01 0.00 0.00 31.29 31.49 3dex h VAL 80 CO -0.49 0.41 -0.48 0.11 -1.01 0.00 0.00 177.57 176.11 3dex h LYS 81 N 0.08 0.16 -0.29 4.17 1.57 0.27 -1.87 116.57 120.66 3dex h LYS 81 Ca 0.01 -0.09 -0.13 0.00 -1.87 0.00 0.00 60.65 58.57 3dex h LYS 81 Cb 0.74 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.05 3dex h LYS 81 CO 0.06 0.61 -0.33 -0.09 -0.57 0.00 0.00 179.45 179.12 3dex h ARG 82 N 0.13 0.74 -0.06 3.15 9.65 -0.81 -1.07 114.38 126.12 3dex h ARG 82 Ca 0.01 -0.41 -0.08 0.00 -1.10 0.00 0.00 59.98 58.40 3dex h ARG 82 Cb 0.90 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.49 3dex h ARG 82 CO 0.07 1.03 -0.34 -0.07 2.80 0.00 0.00 179.97 183.46 3dex h LEU 83 N 0.50 0.11 -0.18 3.80 4.07 -1.36 -2.25 115.31 120.00 3dex h LEU 83 Ca 0.04 -0.04 -0.22 0.00 0.08 0.00 0.00 57.88 57.74 3dex h LEU 83 Cb 0.91 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.62 3dex h LEU 83 CO 0.08 0.45 -0.93 0.58 -1.08 0.00 0.00 178.44 177.54 3dex h VAL 84 N 0.10 1.40 -0.39 1.22 2.07 -1.19 -3.23 116.25 116.21 3dex h VAL 84 Ca 0.01 -2.43 -0.09 0.00 0.82 0.00 0.00 66.70 65.01 3dex h VAL 84 Cb 0.66 2.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.82 3dex h VAL 84 CO 0.05 0.73 -0.13 -0.09 0.02 0.00 0.00 177.57 178.14 3dex h ARG 85 N 0.24 0.71 0.00 1.57 1.12 -0.92 -2.64 114.38 114.45 3dex h ARG 85 Ca -0.08 -0.24 0.00 0.00 -1.11 0.00 0.00 59.98 58.55 3dex h ARG 85 Cb 1.57 -0.06 0.00 0.00 -0.01 0.00 0.00 29.97 31.47 3dex h ARG 85 CO 0.16 0.81 0.00 -0.25 -3.11 0.00 0.00 179.97 177.59 3dex n ASP 86 N -4.16 0.24 -0.67 -3.80 10.43 -0.87 -0.83 116.55 116.90 3dex n ASP 86 Ca 0.01 0.60 0.09 0.00 2.57 0.00 0.00 54.79 58.06 3dex n ASP 86 Cb 0.37 -0.63 0.06 0.00 1.84 0.00 0.00 41.12 42.75 3dex n ASP 86 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3dex n ARG 87 N -1.81 1.59 0.00 -1.24 5.12 -1.00 -5.12 116.66 114.20 3dex n ARG 87 Ca 0.00 -1.44 0.00 0.00 -1.93 0.00 0.00 57.85 54.49 3dex n ARG 87 Cb 0.06 -1.35 0.00 0.00 -1.16 0.00 0.00 32.46 30.01 3dex n ARG 87 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98