#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dex n THR 12 N 0.00 0.00 -4.07 1.59 5.66 -1.18 -4.55 114.28 111.73 3dex n THR 12 Ca 0.00 -0.04 -0.29 0.00 -3.05 0.00 0.00 64.05 60.67 3dex n THR 12 Cb 0.00 0.40 -0.06 0.00 -1.55 0.00 0.00 70.33 69.12 3dex n THR 12 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 3dex s HIS 13 N -0.48 3.15 0.00 1.09 3.76 -1.04 -4.83 115.29 116.95 3dex s HIS 13 Ca 0.00 0.04 0.08 0.00 -0.15 0.00 0.00 55.06 55.03 3dex s HIS 13 Cb 0.00 -1.58 -0.02 0.00 1.11 0.00 0.00 32.58 32.09 3dex s HIS 13 CO 0.00 0.52 -0.25 0.50 -0.85 0.00 0.00 174.74 174.66 3dex s ARG 14 N -2.61 1.90 0.05 1.40 3.52 -1.26 -0.09 118.95 121.85 3dex s ARG 14 Ca 0.29 -0.94 0.08 0.00 -0.13 0.00 0.00 55.73 55.03 3dex s ARG 14 Cb -0.11 -1.91 -0.03 0.00 -1.56 0.00 0.00 34.95 31.34 3dex s ARG 14 CO 0.22 0.51 -0.23 0.08 -0.81 0.00 0.00 175.30 175.07 3dex s VAL 15 N -0.65 1.90 0.00 7.11 1.01 -0.95 -0.97 120.40 127.84 3dex s VAL 15 Ca 0.10 -1.31 0.02 0.00 0.00 0.00 0.00 61.98 60.79 3dex s VAL 15 Cb -0.10 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 3dex s VAL 15 CO 0.00 0.27 -0.06 -1.58 0.00 0.00 0.00 175.10 173.73 3dex s GLN 16 N -1.24 0.44 -0.17 2.72 0.74 -0.32 -0.84 119.66 120.99 3dex s GLN 16 Ca 0.10 -0.28 0.00 0.00 0.05 0.00 0.00 55.36 55.23 3dex s GLN 16 Cb -0.09 -0.39 0.03 0.00 1.10 0.00 0.00 33.01 33.66 3dex s GLN 16 CO 0.02 0.10 -0.10 0.42 -0.55 0.00 0.00 175.29 175.18 3dex s ILE 17 N -0.33 1.46 -0.31 -2.34 1.01 0.48 -0.51 121.20 120.66 3dex s ILE 17 Ca 0.00 -0.75 -0.09 0.00 0.00 0.00 0.00 60.65 59.81 3dex s ILE 17 Cb -0.03 -1.50 -0.00 0.00 0.01 0.00 0.00 42.46 40.94 3dex s ILE 17 CO -0.00 0.27 0.13 -0.70 0.00 0.00 0.00 174.94 174.64 3dex s GLU 18 N 1.50 3.26 0.04 2.79 2.12 -0.04 -0.87 118.70 127.49 3dex s GLU 18 Ca 0.02 -0.77 0.06 0.00 0.36 0.00 0.00 54.97 54.64 3dex s GLU 18 Cb -0.15 -3.52 -0.03 0.00 0.26 0.00 0.00 34.13 30.70 3dex s GLU 18 CO -0.09 -0.43 -0.14 1.52 -0.54 0.00 0.00 175.26 175.58 3dex s TYR 19 N 1.58 2.68 -0.17 5.30 1.13 -1.05 -0.87 117.35 125.95 3dex s TYR 19 Ca 0.04 -0.18 -0.29 0.00 -1.41 0.00 0.00 57.07 55.23 3dex s TYR 19 Cb -0.17 -1.50 -0.03 0.00 -1.10 0.00 0.00 41.96 39.15 3dex s TYR 19 CO 0.05 0.31 1.56 0.00 -2.51 0.00 0.00 175.55 174.95 3dex h THR 21 N 5.87 1.29 -0.26 0.00 1.03 -1.61 -2.98 112.91 116.24 3dex h THR 21 Ca -0.34 -1.18 -0.03 0.00 -0.01 0.00 0.00 66.41 64.85 3dex h THR 21 Cb 1.15 1.40 -0.01 0.00 -1.07 0.00 0.00 68.15 69.61 3dex h THR 21 CO 0.98 0.38 0.02 1.56 -0.01 0.00 0.00 175.52 178.45 3dex h GLN 22 N 0.40 0.38 0.00 0.00 1.08 -1.80 -1.59 115.11 113.58 3dex h GLN 22 Ca 0.08 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3dex h GLN 22 Cb 0.62 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 3dex h GLN 22 CO 0.04 0.40 0.00 0.00 -0.95 0.00 0.00 178.83 178.32 3dex n ARG 24 N -0.68 -5.40 -0.54 0.00 5.12 -0.60 -4.89 116.66 109.68 3dex n ARG 24 Ca 0.07 0.64 0.10 0.00 -1.93 0.00 0.00 57.85 56.74 3dex n ARG 24 Cb 0.03 -5.35 0.35 0.00 -1.16 0.00 0.00 32.46 26.32 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 -4.42 1.32 0.08 -1.55 8.01 -1.13 -4.49 117.44 115.26 3dex n TRP 25 Ca -0.19 -0.58 -0.13 0.00 -1.31 0.00 0.00 57.50 55.29 3dex n TRP 25 Cb 0.63 -0.17 -0.07 0.00 -2.01 0.00 0.00 31.31 29.69 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 4.10 -0.11 -0.97 -0.99 5.85 -1.88 -1.71 115.31 119.61 3dex h LEU 26 Ca 0.00 0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.85 3dex h LEU 26 Cb 1.31 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 42.29 3dex h LEU 26 CO 0.16 -0.07 0.59 1.55 -0.34 0.00 0.00 178.44 180.33 3dex h PRO 27 N -0.11 0.89 0.00 5.25 0.13 -2.00 0.17 132.00 136.33 3dex h PRO 27 Ca -0.01 -0.05 -0.10 0.00 -0.87 0.00 0.00 66.00 64.97 3dex h PRO 27 Cb 0.09 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 31.01 3dex h PRO 27 CO 0.01 0.59 -0.48 0.07 -0.23 0.00 0.00 178.00 177.95 3dex h ARG 28 N 0.91 0.00 -0.18 0.86 0.11 -1.83 -1.18 114.38 113.08 3dex h ARG 28 Ca 0.49 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.50 3dex h ARG 28 Cb 0.53 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.61 3dex h ARG 28 CO -0.28 0.48 -0.17 0.00 0.10 0.00 0.00 179.97 180.10 3dex h ALA 29 N 1.52 0.26 -0.98 0.08 0.00 -0.31 -2.18 119.26 117.65 3dex h ALA 29 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3dex h ALA 29 Cb 1.18 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 3dex h ALA 29 CO 0.06 0.16 0.62 0.00 0.00 0.00 0.00 179.25 180.10 3dex h ALA 30 N 0.63 1.24 0.20 0.00 0.00 -0.52 -0.99 119.26 119.83 3dex h ALA 30 Ca 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3dex h ALA 30 Cb 0.71 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3dex h ALA 30 CO 0.04 0.67 -0.10 2.35 0.00 0.00 0.00 179.25 182.21 3dex h TRP 31 N 1.34 -0.25 -0.87 0.00 7.01 -1.14 -2.11 115.95 119.92 3dex h TRP 31 Ca 0.35 -0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.42 3dex h TRP 31 Cb -0.11 0.08 -0.06 0.00 -2.10 0.00 0.00 29.16 26.98 3dex h TRP 31 CO 0.00 -0.09 0.56 1.25 -2.79 0.00 0.00 178.44 177.37 3dex h LEU 32 N -0.36 0.83 -0.79 0.65 6.46 -1.10 -0.73 115.31 120.26 3dex h LEU 32 Ca -0.03 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 3dex h LEU 32 Cb 0.28 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.00 3dex h LEU 32 CO 0.05 0.52 0.50 0.00 -0.62 0.00 0.00 178.44 178.89 3dex h ALA 33 N 1.54 1.00 -0.43 1.25 0.00 -0.87 0.90 119.26 122.65 3dex h ALA 33 Ca 0.38 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 3dex h ALA 33 Cb 0.26 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3dex h ALA 33 CO -0.14 0.44 -0.17 0.37 0.00 0.00 0.00 179.25 179.75 3dex h GLN 34 N 1.07 0.88 0.09 0.00 4.15 -0.62 0.64 115.11 121.32 3dex h GLN 34 Ca 0.29 -0.37 -0.00 0.00 0.77 0.00 0.00 58.65 59.33 3dex h GLN 34 Cb -0.08 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.57 3dex h GLN 34 CO -0.06 1.01 -0.04 0.93 -1.93 0.00 0.00 178.83 178.74 3dex h GLU 35 N 0.71 -0.12 -0.54 1.69 4.39 -0.62 -1.14 114.58 118.95 3dex h GLU 35 Ca 0.10 0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.70 3dex h GLU 35 Cb 0.73 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.38 3dex h GLU 35 CO 0.06 -0.05 -0.11 -0.07 -1.16 0.00 0.00 179.01 177.68 3dex h LEU 36 N -0.15 1.02 -1.16 1.33 3.38 -0.78 -2.46 115.31 116.49 3dex h LEU 36 Ca -0.01 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 57.54 3dex h LEU 36 Cb 0.12 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3dex h LEU 36 CO 0.02 1.13 -0.38 -0.07 0.09 0.00 0.00 178.44 179.23 3dex h LEU 37 N 0.91 0.00 0.03 1.67 3.38 -0.78 0.10 115.31 120.62 3dex h LEU 37 Ca 0.14 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.88 3dex h LEU 37 Cb 0.68 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3dex h LEU 37 CO 0.05 0.38 -1.07 0.00 0.09 0.00 0.00 178.44 177.89 3dex h THR 38 N 0.00 1.66 0.08 0.22 1.03 -1.11 -1.80 112.91 113.00 3dex h THR 38 Ca -0.00 -3.32 -0.29 0.00 -0.01 0.00 0.00 66.41 62.78 3dex h THR 38 Cb 0.76 2.88 -0.02 0.00 -1.07 0.00 0.00 68.15 70.70 3dex h THR 38 CO 0.05 0.95 -1.48 0.74 -0.01 0.00 0.00 175.52 175.77 3dex h THR 39 N 0.02 1.19 -0.11 0.00 2.02 -1.21 -3.38 112.91 111.44 3dex h THR 39 Ca -0.05 -2.87 -0.07 0.00 0.77 0.00 0.00 66.41 64.19 3dex h THR 39 Cb 1.83 2.72 -0.05 0.00 -1.74 0.00 0.00 68.15 70.90 3dex h THR 39 CO 0.15 0.80 -0.50 0.49 0.37 0.00 0.00 175.52 176.83 3dex n PHE 40 N -3.38 0.37 -0.04 3.16 3.01 0.34 -4.79 117.46 116.13 3dex n PHE 40 Ca -0.14 -1.59 0.07 0.00 1.01 0.00 0.00 57.45 56.81 3dex n PHE 40 Cb 1.03 -0.28 0.46 0.00 -0.01 0.00 0.00 39.48 40.67 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 1.12 0.48 0.00 -1.08 4.11 -1.50 -0.52 114.58 117.19 3dex h GLU 41 Ca 0.06 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.46 3dex h GLU 41 Cb 1.10 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.25 3dex h GLU 41 CO 0.11 0.31 -0.15 0.00 0.07 0.00 0.00 179.01 179.35 3dex h THR 42 N 0.49 0.00 0.00 -1.06 1.03 -1.86 -3.32 112.91 108.19 3dex h THR 42 Ca 0.21 -0.51 0.00 0.00 -0.01 0.00 0.00 66.41 66.10 3dex h THR 42 Cb 0.20 1.41 0.00 0.00 -1.07 0.00 0.00 68.15 68.69 3dex h THR 42 CO -0.05 0.00 -0.74 -0.62 -0.01 0.00 0.00 175.52 174.10 3dex n GLU 43 N -2.27 2.62 -3.98 0.00 4.71 -0.68 -3.52 120.64 117.52 3dex n GLU 43 Ca 0.05 -0.02 -0.35 0.00 -0.01 0.00 0.00 57.16 56.83 3dex n GLU 43 Cb 0.44 -1.10 -0.09 0.00 -1.01 0.00 0.00 31.44 29.68 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 -2.79 3.95 0.13 -4.62 1.43 -0.29 -2.48 118.68 114.00 3dex s LEU 44 Ca 0.03 0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.33 3dex s LEU 44 Cb 0.09 -1.99 -0.15 0.00 0.03 0.00 0.00 46.19 44.17 3dex s LEU 44 CO 0.49 0.24 1.28 0.00 0.23 0.00 0.00 176.35 178.59 3dex h THR 45 N 4.62 1.58 -1.20 5.49 1.03 -0.74 -3.43 112.91 120.26 3dex h THR 45 Ca -0.42 -3.04 0.29 0.00 -0.01 0.00 0.00 66.41 63.23 3dex h THR 45 Cb 1.18 2.73 -0.21 0.00 -1.07 0.00 0.00 68.15 70.78 3dex h THR 45 CO 0.68 0.88 0.92 -1.83 -0.01 0.00 0.00 175.52 176.15 3dex s GLU 46 N -2.88 0.13 -0.09 0.00 -1.05 -1.25 -5.02 118.70 108.53 3dex s GLU 46 Ca -0.02 -0.04 0.01 0.00 -0.15 0.00 0.00 54.97 54.78 3dex s GLU 46 Cb 0.09 0.06 0.02 0.00 -0.44 0.00 0.00 34.13 33.86 3dex s GLU 46 CO 0.84 -0.06 -0.12 -1.17 0.95 0.00 0.00 175.26 175.70 3dex s LEU 47 N -1.94 1.54 0.04 1.83 0.20 -1.26 -2.24 118.68 116.85 3dex s LEU 47 Ca 0.10 -0.34 0.05 0.00 0.69 0.00 0.00 54.13 54.63 3dex s LEU 47 Cb -0.01 -0.91 -0.04 0.00 -0.43 0.00 0.00 46.19 44.80 3dex s LEU 47 CO -0.04 -0.02 -0.09 0.00 -0.29 0.00 0.00 176.35 175.92 3dex s ALA 48 N 1.07 2.95 -0.23 5.97 0.00 -0.02 -4.99 121.76 126.51 3dex s ALA 48 Ca -0.06 -1.12 -0.05 0.00 0.00 0.00 0.00 51.96 50.73 3dex s ALA 48 Cb -0.15 -1.01 -0.02 0.00 0.00 0.00 0.00 23.12 21.95 3dex s ALA 48 CO -0.02 0.62 0.01 -0.51 0.00 0.00 0.00 175.76 175.86 3dex s LEU 49 N -1.71 3.16 -0.26 0.00 1.43 -1.26 -0.39 118.68 119.66 3dex s LEU 49 Ca 0.19 -0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 52.97 3dex s LEU 49 Cb -0.11 -1.82 0.02 0.00 0.03 0.00 0.00 46.19 44.31 3dex s LEU 49 CO 0.10 -0.01 -0.03 -0.75 0.23 0.00 0.00 176.35 175.89 3dex s LYS 50 N 1.46 2.88 0.29 1.70 2.20 -0.05 -4.96 119.74 123.26 3dex s LYS 50 Ca 0.05 -0.96 -0.30 0.00 -0.36 0.00 0.00 55.97 54.40 3dex s LYS 50 Cb -0.15 -3.07 -0.12 0.00 -1.51 0.00 0.00 37.83 32.98 3dex s LYS 50 CO 0.00 -0.41 1.54 -2.30 -0.36 0.00 0.00 175.35 173.82 3dex n PRO 51 N 4.71 2.56 -4.54 4.03 -0.02 -1.26 -2.52 135.00 137.95 3dex n PRO 51 Ca -0.16 0.91 -0.31 0.00 -2.02 0.00 0.00 63.50 61.92 3dex n PRO 51 Cb 0.47 -2.66 -0.06 0.00 -0.02 0.00 0.00 33.50 31.23 3dex n PRO 51 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3dex s GLY 52 N 0.38 2.83 0.00 -1.23 0.00 0.21 -4.84 107.32 104.67 3dex s GLY 52 Ca 0.64 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 44.59 3dex s GLY 52 CO 0.50 -2.13 0.00 2.41 0.00 0.00 0.00 173.10 173.89 3dex n THR 53 N -1.34 0.00 -4.95 0.90 -1.04 -1.26 -2.48 114.28 104.10 3dex n THR 53 Ca -0.14 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.56 3dex n THR 53 Cb 0.66 -0.29 -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 1.24 0.00 3.41 0.00 -1.26 -3.99 107.32 106.72 3dex s GLY 54 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 44.72 43.82 3dex s GLY 54 CO 0.00 -0.16 0.00 0.61 0.00 0.00 0.00 173.10 173.55 3dex n GLY 55 N 3.73 0.19 3.72 0.20 0.00 -1.26 -4.95 105.19 106.83 3dex n GLY 55 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.55 4.10 -0.38 1.61 1.01 -1.26 -4.82 120.40 119.11 3dex s VAL 56 Ca 0.00 1.58 0.06 0.00 0.00 0.00 0.00 61.98 63.62 3dex s VAL 56 Cb 0.00 -4.01 0.17 0.00 0.00 0.00 0.00 36.38 32.54 3dex s VAL 56 CO 0.00 0.16 0.53 0.12 0.00 0.00 0.00 175.10 175.91 3dex s PHE 57 N 0.71 -1.21 0.07 5.22 5.36 -1.21 0.61 117.98 127.54 3dex s PHE 57 Ca 0.55 -0.05 0.07 0.00 -0.96 0.00 0.00 56.93 56.54 3dex s PHE 57 Cb -0.28 0.04 -0.03 0.00 -0.34 0.00 0.00 43.02 42.41 3dex s PHE 57 CO 0.31 -1.09 -0.19 0.54 -1.46 0.00 0.00 175.22 173.33 3dex s VAL 58 N 1.81 1.51 -0.13 3.12 0.11 -0.05 -1.63 120.40 125.14 3dex s VAL 58 Ca 0.16 -1.34 -0.01 0.00 -2.93 0.00 0.00 61.98 57.86 3dex s VAL 58 Cb -0.09 -1.36 -0.02 0.00 -1.53 0.00 0.00 36.38 33.38 3dex s VAL 58 CO -0.08 -0.01 -0.10 -0.69 -3.33 0.00 0.00 175.10 170.88 3dex s VAL 59 N -1.04 3.30 -0.02 2.04 1.01 0.65 -0.86 120.40 125.47 3dex s VAL 59 Ca 0.04 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.53 3dex s VAL 59 Cb -0.09 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 3dex s VAL 59 CO 0.03 0.52 -0.25 -0.13 0.00 0.00 0.00 175.10 175.27 3dex s ARG 60 N 0.29 2.03 -0.18 2.72 0.52 0.33 -0.77 118.95 123.90 3dex s ARG 60 Ca -0.08 -0.90 0.01 0.00 -0.52 0.00 0.00 55.73 54.24 3dex s ARG 60 Cb -0.15 -1.97 0.03 0.00 0.52 0.00 0.00 34.95 33.38 3dex s ARG 60 CO 0.05 0.54 -0.13 0.08 0.02 0.00 0.00 175.30 175.86 3dex s VAL 61 N -0.59 1.65 -1.25 3.52 1.01 0.80 -1.17 120.40 124.36 3dex s VAL 61 Ca 0.10 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 3dex s VAL 61 Cb -0.10 -1.63 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 3dex s VAL 61 CO -0.01 0.32 0.77 0.47 0.00 0.00 0.00 175.10 176.65 3dex n ASP 62 N 4.72 -2.09 0.00 3.32 10.43 -0.15 -1.47 116.55 131.31 3dex n ASP 62 Ca -0.16 -0.80 0.00 0.00 2.57 0.00 0.00 54.79 56.40 3dex n ASP 62 Cb 0.48 -4.26 0.00 0.00 1.84 0.00 0.00 41.12 39.18 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 -3.05 0.00 -4.66 -2.24 8.00 -1.26 -4.96 116.55 108.39 3dex n ASP 63 Ca -0.26 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 54.86 3dex n ASP 63 Cb 0.67 -0.89 -0.08 0.00 -0.02 0.00 0.00 41.12 40.80 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 -0.07 4.12 -0.00 -1.24 2.02 -0.54 -5.04 118.70 117.95 3dex s GLU 64 Ca 0.00 0.04 -0.30 0.00 0.02 0.00 0.00 54.97 54.73 3dex s GLU 64 Cb 0.00 -3.56 -0.06 0.00 0.10 0.00 0.00 34.13 30.61 3dex s GLU 64 CO 0.00 -0.05 1.56 0.54 0.02 0.00 0.00 175.26 177.33 3dex s VAL 65 N 1.37 3.48 -0.04 2.63 0.11 -1.26 -0.14 120.40 126.54 3dex s VAL 65 Ca 0.15 0.78 0.12 0.00 -2.93 0.00 0.00 61.98 60.11 3dex s VAL 65 Cb -0.15 -3.51 -0.18 0.00 -1.53 0.00 0.00 36.38 31.02 3dex s VAL 65 CO 0.07 -0.03 0.23 0.52 -3.33 0.00 0.00 175.10 172.56 3dex n VAL 66 N 4.99 0.15 -3.70 2.04 0.31 0.05 -4.92 118.33 117.26 3dex n VAL 66 Ca 0.15 -0.32 -0.11 0.00 -0.01 0.00 0.00 64.34 64.05 3dex n VAL 66 Cb 0.42 0.04 -0.12 0.00 -0.91 0.00 0.00 33.84 33.28 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 -2.75 -0.53 -0.10 3.52 -0.11 -0.95 -4.97 118.94 113.05 3dex s TRP 67 Ca -0.05 1.14 0.01 0.00 1.22 0.00 0.00 56.10 58.42 3dex s TRP 67 Cb 0.07 0.19 0.02 0.00 -1.50 0.00 0.00 33.47 32.25 3dex s TRP 67 CO 0.51 -0.32 -0.11 0.34 -4.62 0.00 0.00 176.95 172.75 3dex s ASP 68 N 1.51 2.16 0.12 5.86 -1.08 -1.26 -0.25 116.67 123.72 3dex s ASP 68 Ca -0.08 -0.34 -0.32 0.00 -0.52 0.00 0.00 52.55 51.28 3dex s ASP 68 Cb -0.09 -0.91 -0.11 0.00 -1.46 0.00 0.00 42.92 40.34 3dex s ASP 68 CO -0.11 -0.05 1.57 -0.09 0.52 0.00 0.00 175.17 177.01 3dex h ARG 69 N 7.69 -0.61 -2.00 4.34 2.43 -1.50 0.09 114.38 124.82 3dex h ARG 69 Ca -0.31 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 58.90 3dex h ARG 69 Cb 1.15 0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.84 3dex h ARG 69 CO 0.45 -0.41 -0.00 2.89 -1.51 0.00 0.00 179.97 181.40 3dex n ARG 70 N -5.46 0.81 0.00 0.20 -4.01 -1.26 0.65 116.66 107.60 3dex n ARG 70 Ca -0.07 -0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.74 3dex n ARG 70 Cb 0.39 -1.10 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 1.60 0.00 0.00 2.89 4.07 -0.90 -4.93 120.64 123.37 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 0.41 -0.18 0.00 0.00 -0.06 0.00 0.00 31.44 31.60 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 -1.08 0.56 0.00 5.31 6.02 -0.03 -5.03 117.38 123.13 3dex n GLN 72 Ca 0.00 -0.64 0.00 0.00 -0.01 0.00 0.00 57.00 56.35 3dex n GLN 72 Cb 0.00 -0.75 0.00 0.00 1.02 0.00 0.00 30.24 30.51 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 -0.13 -0.99 3.67 1.08 0.00 0.21 -4.85 105.19 104.18 3dex n GLY 73 Ca 0.00 -1.19 -0.44 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.16 2.13 -1.88 1.61 7.35 -1.26 -4.32 117.46 120.93 3dex n PHE 74 Ca 0.00 0.46 -0.35 0.00 -0.76 0.00 0.00 57.45 56.80 3dex n PHE 74 Cb 0.00 -2.44 -0.05 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 1.76 1.89 -1.67 -7.13 -0.04 -1.26 -4.94 135.00 123.61 3dex n PRO 75 Ca 0.11 -2.44 -0.43 0.00 -0.04 0.00 0.00 63.50 60.70 3dex n PRO 75 Cb 0.32 -3.45 -0.03 0.00 -0.04 0.00 0.00 33.50 30.29 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 7.83 2.75 -0.33 0.54 0.00 -1.26 -4.84 120.64 125.33 3dex n GLU 76 Ca 0.47 1.00 -0.05 0.00 0.00 0.00 0.00 57.16 58.59 3dex n GLU 76 Cb 0.44 -2.92 -0.02 0.00 0.00 0.00 0.00 31.44 28.94 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 6.67 -0.27 0.38 5.31 -0.04 -1.26 -1.75 135.00 144.03 3dex n PRO 77 Ca 0.20 1.25 -0.19 0.00 -0.04 0.00 0.00 63.50 64.72 3dex n PRO 77 Cb 0.38 -1.85 -0.09 0.00 -0.04 0.00 0.00 33.50 31.90 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 0.12 -0.47 0.52 2.02 -1.98 0.10 112.91 113.22 3dex h THR 78 Ca 0.21 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.48 3dex h THR 78 Cb 0.42 0.12 -0.10 0.00 -1.74 0.00 0.00 68.15 66.85 3dex h THR 78 CO -0.79 0.00 -0.31 0.00 0.37 0.00 0.00 175.52 174.79 3dex h ALA 79 N -0.85 -0.07 -0.06 6.16 0.00 -1.80 -0.57 119.26 122.06 3dex h ALA 79 Ca -0.09 0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3dex h ALA 79 Cb 0.86 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 3dex h ALA 79 CO 0.07 -0.68 -0.44 -0.24 0.00 0.00 0.00 179.25 177.97 3dex h VAL 80 N -0.20 1.32 -0.02 0.00 3.04 -1.30 -2.72 116.25 116.37 3dex h VAL 80 Ca 0.20 -1.57 -0.10 0.00 -1.01 0.00 0.00 66.70 64.22 3dex h VAL 80 Cb 0.53 1.77 -0.01 0.00 -2.01 0.00 0.00 31.29 31.57 3dex h VAL 80 CO -0.59 0.46 -0.47 0.11 -1.01 0.00 0.00 177.57 176.08 3dex h LYS 81 N 0.11 0.06 -0.26 4.17 1.57 0.34 -1.73 116.57 120.84 3dex h LYS 81 Ca 0.01 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.58 3dex h LYS 81 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 3dex h LYS 81 CO 0.06 0.51 -0.53 -0.09 -0.57 0.00 0.00 179.45 178.84 3dex h ARG 82 N 0.05 0.81 -0.07 3.15 9.65 -0.92 -1.10 114.38 125.94 3dex h ARG 82 Ca -0.00 -0.53 -0.10 0.00 -1.10 0.00 0.00 59.98 58.25 3dex h ARG 82 Cb 0.84 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.48 3dex h ARG 82 CO 0.06 1.16 -0.39 -0.07 2.80 0.00 0.00 179.97 183.53 3dex h LEU 83 N 0.57 0.16 -0.18 3.80 4.07 -1.34 -2.17 115.31 120.22 3dex h LEU 83 Ca 0.01 -0.06 -0.23 0.00 0.08 0.00 0.00 57.88 57.68 3dex h LEU 83 Cb 1.14 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.84 3dex h LEU 83 CO 0.12 0.54 -0.93 0.58 -1.08 0.00 0.00 178.44 177.67 3dex h VAL 84 N 0.13 1.39 -0.29 1.22 2.07 -1.20 -3.27 116.25 116.29 3dex h VAL 84 Ca 0.01 -2.40 -0.05 0.00 0.82 0.00 0.00 66.70 65.08 3dex h VAL 84 Cb 0.76 2.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 3dex h VAL 84 CO 0.06 0.72 -0.02 -0.09 0.02 0.00 0.00 177.57 178.25 3dex h ARG 85 N 0.25 0.54 -1.01 1.57 1.12 -0.99 -2.87 114.38 112.99 3dex h ARG 85 Ca -0.08 -0.18 0.23 0.00 -1.11 0.00 0.00 59.98 58.84 3dex h ARG 85 Cb 1.56 -0.04 -0.10 0.00 -0.01 0.00 0.00 29.97 31.37 3dex h ARG 85 CO 0.16 0.70 0.62 -0.44 -3.11 0.00 0.00 179.97 177.91 3dex h ASP 86 N 0.32 0.61 0.58 -3.80 3.45 -1.46 1.05 116.42 117.17 3dex h ASP 86 Ca 0.08 0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.64 3dex h ASP 86 Cb 0.47 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.24 3dex h ASP 86 CO 0.02 0.16 0.00 0.54 -1.57 0.00 0.00 179.24 178.39 3dex n ARG 87 N -4.72 0.25 -2.74 3.56 5.12 -1.09 -3.20 116.66 113.83 3dex n ARG 87 Ca 0.24 0.06 -0.05 0.00 -1.93 0.00 0.00 57.85 56.17 3dex n ARG 87 Cb 0.72 -1.50 0.04 0.00 -1.16 0.00 0.00 32.46 30.57 3dex n ARG 87 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3dex n VAL 88 N -1.35 1.05 0.00 1.55 0.31 0.32 -5.10 118.33 115.11 3dex n VAL 88 Ca 0.10 -2.89 0.00 0.00 -0.01 0.00 0.00 64.34 61.54 3dex n VAL 88 Cb 0.23 0.96 0.00 0.00 -0.91 0.00 0.00 33.84 34.12 3dex n VAL 88 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51