#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dex s ARG 14 N 0.00 3.70 0.06 -0.41 0.52 -1.26 0.15 118.95 121.71 3dex s ARG 14 Ca 0.00 -0.49 0.07 0.00 -0.52 0.00 0.00 55.73 54.79 3dex s ARG 14 Cb 0.00 -3.04 -0.04 0.00 0.52 0.00 0.00 34.95 32.39 3dex s ARG 14 CO 0.00 0.14 -0.15 0.08 0.02 0.00 0.00 175.30 175.39 3dex s VAL 15 N 0.67 3.04 0.01 3.52 1.01 -0.97 -1.13 120.40 126.54 3dex s VAL 15 Ca -0.00 -1.21 0.01 0.00 0.00 0.00 0.00 61.98 60.78 3dex s VAL 15 Cb -0.14 -2.34 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 3dex s VAL 15 CO 0.02 0.25 -0.04 -1.58 0.00 0.00 0.00 175.10 173.75 3dex s GLN 16 N -1.74 0.29 -0.16 2.72 0.74 -0.08 -0.83 119.66 120.61 3dex s GLN 16 Ca 0.17 -0.24 0.00 0.00 0.05 0.00 0.00 55.36 55.34 3dex s GLN 16 Cb -0.11 -0.22 0.03 0.00 1.10 0.00 0.00 33.01 33.81 3dex s GLN 16 CO 0.08 0.05 -0.11 0.42 -0.55 0.00 0.00 175.29 175.19 3dex s ILE 17 N -0.36 1.46 -0.31 -2.34 1.01 0.37 -0.35 121.20 120.68 3dex s ILE 17 Ca -0.02 -0.69 -0.08 0.00 0.00 0.00 0.00 60.65 59.87 3dex s ILE 17 Cb -0.03 -1.46 0.01 0.00 0.01 0.00 0.00 42.46 40.99 3dex s ILE 17 CO -0.00 0.33 0.12 -0.70 0.00 0.00 0.00 174.94 174.68 3dex s GLU 18 N 1.51 3.13 0.02 2.79 2.12 -0.32 -0.63 118.70 127.32 3dex s GLU 18 Ca 0.03 -0.84 0.05 0.00 0.36 0.00 0.00 54.97 54.56 3dex s GLU 18 Cb -0.14 -3.47 -0.03 0.00 0.26 0.00 0.00 34.13 30.75 3dex s GLU 18 CO -0.09 -0.46 -0.11 1.52 -0.54 0.00 0.00 175.26 175.57 3dex s TYR 19 N 1.54 2.75 -0.17 5.30 1.13 -1.04 -1.34 117.35 125.53 3dex s TYR 19 Ca 0.03 -0.13 -0.29 0.00 -1.41 0.00 0.00 57.07 55.27 3dex s TYR 19 Cb -0.17 -1.55 -0.03 0.00 -1.10 0.00 0.00 41.96 39.10 3dex s TYR 19 CO 0.04 0.32 1.62 0.00 -2.51 0.00 0.00 175.55 175.01 3dex h THR 21 N 5.95 1.27 -0.26 0.00 1.03 -1.60 -3.01 112.91 116.28 3dex h THR 21 Ca -0.35 -1.01 -0.01 0.00 -0.01 0.00 0.00 66.41 65.03 3dex h THR 21 Cb 1.16 1.39 -0.01 0.00 -1.07 0.00 0.00 68.15 69.61 3dex h THR 21 CO 0.98 0.32 0.10 1.56 -0.01 0.00 0.00 175.52 178.48 3dex h GLN 22 N 0.27 0.36 0.00 0.00 1.08 -1.80 -1.57 115.11 113.46 3dex h GLN 22 Ca 0.07 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 3dex h GLN 22 Cb 0.49 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 3dex h GLN 22 CO 0.02 0.31 0.00 0.00 -0.95 0.00 0.00 178.83 178.21 3dex n ARG 24 N -0.73 -5.71 -0.58 0.00 5.12 -0.59 -4.90 116.66 109.28 3dex n ARG 24 Ca 0.09 0.67 0.10 0.00 -1.93 0.00 0.00 57.85 56.78 3dex n ARG 24 Cb 0.04 -5.45 0.36 0.00 -1.16 0.00 0.00 32.46 26.25 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 -4.47 1.42 0.05 -1.55 8.01 -1.15 -4.49 117.44 115.27 3dex n TRP 25 Ca -0.16 -0.59 -0.12 0.00 -1.31 0.00 0.00 57.50 55.32 3dex n TRP 25 Cb 0.62 -0.20 -0.07 0.00 -2.01 0.00 0.00 31.31 29.65 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 4.24 -0.04 -0.77 -0.99 5.85 -1.89 -1.65 115.31 120.07 3dex h LEU 26 Ca 0.00 -0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.77 3dex h LEU 26 Cb 1.38 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.35 3dex h LEU 26 CO 0.19 0.02 0.41 1.55 -0.34 0.00 0.00 178.44 180.27 3dex h PRO 27 N -0.09 0.67 0.00 5.25 0.13 -2.00 0.20 132.00 136.16 3dex h PRO 27 Ca -0.00 -0.04 -0.10 0.00 -0.87 0.00 0.00 66.00 64.99 3dex h PRO 27 Cb 0.08 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.04 3dex h PRO 27 CO 0.01 0.44 -0.46 0.07 -0.23 0.00 0.00 178.00 177.83 3dex h ARG 28 N 0.69 0.00 -0.22 0.86 0.11 -1.83 -0.96 114.38 113.03 3dex h ARG 28 Ca 0.38 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.38 3dex h ARG 28 Cb 0.38 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.45 3dex h ARG 28 CO -0.26 0.46 -0.17 0.00 0.10 0.00 0.00 179.97 180.10 3dex h ALA 29 N 1.54 0.32 -0.82 0.08 0.00 -0.34 -2.02 119.26 118.02 3dex h ALA 29 Ca -0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 3dex h ALA 29 Cb 0.96 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 3dex h ALA 29 CO 0.06 0.23 0.42 0.00 0.00 0.00 0.00 179.25 179.96 3dex h ALA 30 N 0.68 1.20 0.05 0.00 0.00 -0.35 -1.18 119.26 119.66 3dex h ALA 30 Ca 0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3dex h ALA 30 Cb 0.71 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3dex h ALA 30 CO 0.05 0.63 -0.02 2.35 0.00 0.00 0.00 179.25 182.25 3dex h TRP 31 N 1.15 -0.06 -0.90 0.00 7.01 -1.07 -1.96 115.95 120.13 3dex h TRP 31 Ca 0.28 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.32 3dex h TRP 31 Cb 0.07 0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 27.10 3dex h TRP 31 CO 0.01 0.08 0.59 1.25 -2.79 0.00 0.00 178.44 177.58 3dex h LEU 32 N -0.19 0.96 -0.79 0.65 6.46 -1.13 -0.22 115.31 121.06 3dex h LEU 32 Ca -0.01 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 3dex h LEU 32 Cb 0.17 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 39.84 3dex h LEU 32 CO 0.01 0.65 0.50 0.00 -0.62 0.00 0.00 178.44 178.98 3dex h ALA 33 N 1.48 1.00 -0.39 1.25 0.00 -0.96 0.76 119.26 122.39 3dex h ALA 33 Ca 0.36 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 3dex h ALA 33 Cb 0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3dex h ALA 33 CO -0.11 0.44 -0.05 0.37 0.00 0.00 0.00 179.25 179.90 3dex h GLN 34 N 1.07 0.73 0.07 0.00 4.15 -0.46 0.13 115.11 120.80 3dex h GLN 34 Ca 0.28 -0.26 0.01 0.00 0.77 0.00 0.00 58.65 59.46 3dex h GLN 34 Cb -0.08 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 3dex h GLN 34 CO -0.06 0.85 -0.12 0.93 -1.93 0.00 0.00 178.83 178.50 3dex h GLU 35 N 0.55 -0.22 -0.59 1.69 4.39 -0.46 -1.24 114.58 118.69 3dex h GLU 35 Ca 0.11 0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.72 3dex h GLU 35 Cb 0.55 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 3dex h GLU 35 CO 0.03 -0.15 -0.03 -0.07 -1.16 0.00 0.00 179.01 177.63 3dex h LEU 36 N -0.23 1.06 -1.18 1.33 3.38 -0.80 -2.33 115.31 116.53 3dex h LEU 36 Ca 0.02 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.59 3dex h LEU 36 Cb 0.25 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3dex h LEU 36 CO -0.06 1.12 -0.38 -0.07 0.09 0.00 0.00 178.44 179.13 3dex h LEU 37 N 0.97 0.00 -0.07 1.67 3.38 -0.65 0.79 115.31 121.40 3dex h LEU 37 Ca 0.16 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.92 3dex h LEU 37 Cb 0.60 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3dex h LEU 37 CO 0.04 0.38 -0.99 0.00 0.09 0.00 0.00 178.44 177.96 3dex h THR 38 N 0.00 1.64 0.05 0.22 1.03 -1.09 -1.69 112.91 113.08 3dex h THR 38 Ca -0.00 -3.19 -0.29 0.00 -0.01 0.00 0.00 66.41 62.92 3dex h THR 38 Cb 0.75 2.77 -0.03 0.00 -1.07 0.00 0.00 68.15 70.57 3dex h THR 38 CO 0.05 0.92 -1.52 0.74 -0.01 0.00 0.00 175.52 175.70 3dex h THR 39 N 0.02 1.12 -0.15 0.00 2.02 -1.17 -3.38 112.91 111.37 3dex h THR 39 Ca -0.03 -2.85 -0.10 0.00 0.77 0.00 0.00 66.41 64.20 3dex h THR 39 Cb 1.72 2.64 -0.07 0.00 -1.74 0.00 0.00 68.15 70.70 3dex h THR 39 CO 0.14 0.74 -0.46 0.49 0.37 0.00 0.00 175.52 176.80 3dex n PHE 40 N -3.29 0.50 -0.00 3.16 3.01 0.25 -4.79 117.46 116.30 3dex n PHE 40 Ca -0.14 -1.61 0.07 0.00 1.01 0.00 0.00 57.45 56.77 3dex n PHE 40 Cb 1.03 -0.31 0.47 0.00 -0.01 0.00 0.00 39.48 40.65 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 1.14 0.45 0.00 -1.08 4.11 -1.48 -0.47 114.58 117.25 3dex h GLU 41 Ca 0.08 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.48 3dex h GLU 41 Cb 1.16 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3dex h GLU 41 CO 0.16 0.30 -0.16 -2.37 0.07 0.00 0.00 179.01 177.01 3dex n THR 42 N -4.48 0.42 0.47 -1.06 5.66 -1.26 -3.83 114.28 110.20 3dex n THR 42 Ca 0.05 -0.22 0.05 0.00 -3.05 0.00 0.00 64.05 60.87 3dex n THR 42 Cb 0.15 -0.43 -0.05 0.00 -1.55 0.00 0.00 70.33 68.45 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 -2.07 3.51 -4.16 1.09 4.71 -0.61 -4.98 120.64 118.13 3dex n GLU 43 Ca 0.05 -0.06 -0.35 0.00 -0.01 0.00 0.00 57.16 56.79 3dex n GLU 43 Cb 0.41 -0.99 -0.10 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 -2.39 3.72 0.10 -4.62 1.43 -0.28 -3.06 118.68 113.57 3dex s LEU 44 Ca 0.04 0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.26 3dex s LEU 44 Cb 0.08 -1.91 -0.25 0.00 0.03 0.00 0.00 46.19 44.14 3dex s LEU 44 CO 0.40 0.26 1.21 0.00 0.23 0.00 0.00 176.35 178.44 3dex h THR 45 N 4.62 1.60 -1.35 5.49 1.03 -0.63 -3.45 112.91 120.23 3dex h THR 45 Ca -0.42 -3.24 0.27 0.00 -0.01 0.00 0.00 66.41 63.02 3dex h THR 45 Cb 1.18 2.90 -0.20 0.00 -1.07 0.00 0.00 68.15 70.97 3dex h THR 45 CO 0.64 0.93 0.86 -1.83 -0.01 0.00 0.00 175.52 176.11 3dex s GLU 46 N -2.68 0.23 -0.09 0.00 -1.05 -1.23 -5.01 118.70 108.86 3dex s GLU 46 Ca -0.02 -0.08 0.01 0.00 -0.15 0.00 0.00 54.97 54.74 3dex s GLU 46 Cb 0.08 0.10 0.02 0.00 -0.44 0.00 0.00 34.13 33.90 3dex s GLU 46 CO 0.85 -0.10 -0.11 -1.17 0.95 0.00 0.00 175.26 175.69 3dex s LEU 47 N -2.07 1.49 0.11 1.83 0.20 -1.26 -2.29 118.68 116.70 3dex s LEU 47 Ca 0.10 -0.31 0.07 0.00 0.69 0.00 0.00 54.13 54.67 3dex s LEU 47 Cb -0.01 -0.86 -0.04 0.00 -0.43 0.00 0.00 46.19 44.85 3dex s LEU 47 CO -0.04 -0.02 -0.07 0.00 -0.29 0.00 0.00 176.35 175.92 3dex s ALA 48 N 1.07 3.04 -0.21 5.97 0.00 -0.01 -4.99 121.76 126.63 3dex s ALA 48 Ca -0.07 -1.24 -0.03 0.00 0.00 0.00 0.00 51.96 50.62 3dex s ALA 48 Cb -0.15 -0.95 -0.00 0.00 0.00 0.00 0.00 23.12 22.02 3dex s ALA 48 CO -0.01 0.63 -0.07 -0.51 0.00 0.00 0.00 175.76 175.79 3dex s LEU 49 N -2.33 2.75 -0.24 0.00 1.43 -1.26 -0.48 118.68 118.55 3dex s LEU 49 Ca 0.23 -0.47 -0.03 0.00 -1.03 0.00 0.00 54.13 52.83 3dex s LEU 49 Cb -0.11 -1.68 0.01 0.00 0.03 0.00 0.00 46.19 44.44 3dex s LEU 49 CO 0.15 -0.02 -0.04 -0.75 0.23 0.00 0.00 176.35 175.92 3dex s LYS 50 N 1.43 3.08 0.29 1.70 2.20 0.20 -4.96 119.74 123.69 3dex s LYS 50 Ca 0.05 -0.82 -0.30 0.00 -0.36 0.00 0.00 55.97 54.55 3dex s LYS 50 Cb -0.14 -3.03 -0.11 0.00 -1.51 0.00 0.00 37.83 33.04 3dex s LYS 50 CO -0.05 -0.32 1.59 -2.14 -0.36 0.00 0.00 175.35 174.07 3dex s PRO 51 N 1.41 4.13 0.51 4.03 0.02 -1.26 -2.48 135.00 141.35 3dex s PRO 51 Ca 0.03 2.57 0.02 0.00 0.02 0.00 0.00 61.00 63.64 3dex s PRO 51 Cb -0.16 -3.03 -0.01 0.00 0.02 0.00 0.00 34.50 31.33 3dex s PRO 51 CO -0.03 -0.63 0.08 0.20 -0.33 0.00 0.00 177.00 176.29 3dex s GLY 52 N 0.48 2.86 0.00 0.52 0.00 0.12 -4.85 107.32 106.46 3dex s GLY 52 Ca 0.63 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 44.68 3dex s GLY 52 CO 0.48 -2.14 0.00 2.41 0.00 0.00 0.00 173.10 173.85 3dex n THR 53 N -1.35 0.00 -5.06 0.90 -1.04 -1.26 -2.43 114.28 104.05 3dex n THR 53 Ca -0.15 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.55 3dex n THR 53 Cb 0.66 -0.27 -0.17 0.00 -1.82 0.00 0.00 70.33 68.74 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 1.30 0.00 3.41 0.00 -1.26 -3.96 107.32 106.81 3dex s GLY 54 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 43.76 3dex s GLY 54 CO 0.00 -0.23 0.00 0.61 0.00 0.00 0.00 173.10 173.48 3dex n GLY 55 N 3.66 0.17 3.71 0.20 0.00 -1.26 -4.95 105.19 106.72 3dex n GLY 55 Ca -0.19 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 -1.47 4.35 -0.37 1.61 1.01 -1.26 -4.82 120.40 119.45 3dex s VAL 56 Ca 0.00 1.68 0.05 0.00 0.00 0.00 0.00 61.98 63.71 3dex s VAL 56 Cb 0.00 -4.08 0.17 0.00 0.00 0.00 0.00 36.38 32.47 3dex s VAL 56 CO 0.00 0.12 0.48 0.12 0.00 0.00 0.00 175.10 175.82 3dex s PHE 57 N 1.16 -0.99 0.05 5.22 5.36 -1.22 0.60 117.98 128.16 3dex s PHE 57 Ca 0.56 -0.21 0.06 0.00 -0.96 0.00 0.00 56.93 56.38 3dex s PHE 57 Cb -0.26 -0.08 -0.02 0.00 -0.34 0.00 0.00 43.02 42.32 3dex s PHE 57 CO 0.28 -1.06 -0.16 0.54 -1.46 0.00 0.00 175.22 173.36 3dex s VAL 58 N 1.77 1.31 -0.13 3.12 0.11 -0.45 -1.55 120.40 124.58 3dex s VAL 58 Ca 0.15 -1.15 -0.02 0.00 -2.93 0.00 0.00 61.98 58.04 3dex s VAL 58 Cb -0.10 -1.18 -0.02 0.00 -1.53 0.00 0.00 36.38 33.54 3dex s VAL 58 CO -0.09 0.01 -0.08 -0.69 -3.33 0.00 0.00 175.10 170.92 3dex s VAL 59 N -0.93 3.53 -0.01 2.04 1.01 0.49 -1.18 120.40 125.35 3dex s VAL 59 Ca 0.03 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.59 3dex s VAL 59 Cb -0.09 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 3dex s VAL 59 CO 0.02 0.52 -0.25 -0.13 0.00 0.00 0.00 175.10 175.26 3dex s ARG 60 N 0.17 1.96 -0.19 2.72 0.52 0.53 -0.72 118.95 123.94 3dex s ARG 60 Ca -0.04 -0.92 0.01 0.00 -0.52 0.00 0.00 55.73 54.25 3dex s ARG 60 Cb -0.14 -1.93 0.04 0.00 0.52 0.00 0.00 34.95 33.43 3dex s ARG 60 CO 0.04 0.53 -0.09 0.08 0.02 0.00 0.00 175.30 175.87 3dex s VAL 61 N -0.62 1.52 -1.25 3.52 1.01 0.46 -0.90 120.40 124.14 3dex s VAL 61 Ca 0.10 -0.92 -0.00 0.00 0.00 0.00 0.00 61.98 61.16 3dex s VAL 61 Cb -0.10 -1.62 -0.00 0.00 0.00 0.00 0.00 36.38 34.67 3dex s VAL 61 CO -0.00 0.17 0.85 0.47 0.00 0.00 0.00 175.10 176.59 3dex n ASP 62 N 4.73 -1.68 0.00 3.32 10.43 -0.28 -1.69 116.55 131.37 3dex n ASP 62 Ca -0.14 -0.72 0.00 0.00 2.57 0.00 0.00 54.79 56.50 3dex n ASP 62 Cb 0.47 -4.61 0.00 0.00 1.84 0.00 0.00 41.12 38.82 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 -3.09 0.00 -4.65 -2.24 8.00 -1.26 -4.96 116.55 108.34 3dex n ASP 63 Ca -0.29 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 54.83 3dex n ASP 63 Cb 0.67 -0.75 -0.09 0.00 -0.02 0.00 0.00 41.12 40.94 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 -0.06 4.11 0.03 -1.24 2.02 -0.68 -5.04 118.70 117.83 3dex s GLU 64 Ca 0.00 -0.00 -0.30 0.00 0.02 0.00 0.00 54.97 54.68 3dex s GLU 64 Cb 0.00 -3.56 -0.07 0.00 0.10 0.00 0.00 34.13 30.60 3dex s GLU 64 CO 0.00 -0.04 1.56 0.54 0.02 0.00 0.00 175.26 177.34 3dex s VAL 65 N 1.35 3.33 -0.03 2.63 0.11 -1.26 -0.41 120.40 126.12 3dex s VAL 65 Ca 0.14 0.73 0.11 0.00 -2.93 0.00 0.00 61.98 60.03 3dex s VAL 65 Cb -0.14 -3.47 -0.17 0.00 -1.53 0.00 0.00 36.38 31.07 3dex s VAL 65 CO 0.07 -0.01 0.20 0.52 -3.33 0.00 0.00 175.10 172.56 3dex n VAL 66 N 4.77 0.15 -3.71 2.04 0.31 0.10 -4.92 118.33 117.07 3dex n VAL 66 Ca 0.15 -0.30 -0.11 0.00 -0.01 0.00 0.00 64.34 64.07 3dex n VAL 66 Cb 0.42 0.04 -0.11 0.00 -0.91 0.00 0.00 33.84 33.27 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 -2.67 -0.52 -0.09 3.52 -0.11 -0.99 -4.97 118.94 113.10 3dex s TRP 67 Ca -0.04 1.13 0.01 0.00 1.22 0.00 0.00 56.10 58.42 3dex s TRP 67 Cb 0.06 0.20 0.02 0.00 -1.50 0.00 0.00 33.47 32.25 3dex s TRP 67 CO 0.46 -0.31 -0.09 0.34 -4.62 0.00 0.00 176.95 172.73 3dex s ASP 68 N 1.34 1.96 0.11 5.86 -1.08 -1.26 -0.38 116.67 123.22 3dex s ASP 68 Ca -0.09 -0.29 -0.34 0.00 -0.52 0.00 0.00 52.55 51.31 3dex s ASP 68 Cb -0.09 -0.81 -0.14 0.00 -1.46 0.00 0.00 42.92 40.43 3dex s ASP 68 CO -0.11 -0.07 1.56 -0.09 0.52 0.00 0.00 175.17 176.98 3dex h ARG 69 N 7.73 -0.68 -1.94 4.34 2.43 -1.47 0.31 114.38 125.09 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 1.15 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 3dex h ARG 69 CO 0.43 -0.45 0.00 2.89 -1.51 0.00 0.00 179.97 181.33 3dex n ARG 70 N -5.47 0.76 0.00 0.20 -4.01 -1.26 0.12 116.66 107.01 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 -1.12 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 1.54 0.00 0.00 2.89 4.07 -0.90 -4.92 120.64 123.33 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 0.38 -0.20 0.00 0.00 -0.06 0.00 0.00 31.44 31.57 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 -1.01 0.60 0.00 5.31 6.02 0.05 -5.03 117.38 123.32 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 -0.70 0.00 0.00 1.02 0.00 0.00 30.24 30.56 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 -0.84 3.63 1.08 0.00 0.34 -4.84 105.19 104.43 3dex n GLY 73 Ca 0.00 -1.15 -0.46 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.26 1.75 -1.78 1.61 7.35 -1.26 -4.33 117.46 120.55 3dex n PHE 74 Ca 0.00 0.56 -0.38 0.00 -0.76 0.00 0.00 57.45 56.86 3dex n PHE 74 Cb 0.00 -2.37 -0.04 0.00 0.35 0.00 0.00 39.48 37.42 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 1.71 2.06 -1.68 -7.13 -0.04 -1.26 -4.94 135.00 123.72 3dex n PRO 75 Ca 0.12 -2.42 -0.46 0.00 -0.04 0.00 0.00 63.50 60.70 3dex n PRO 75 Cb 0.29 -3.33 -0.04 0.00 -0.04 0.00 0.00 33.50 30.38 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 7.49 2.35 -0.36 0.54 0.00 -1.26 -4.83 120.64 124.56 3dex n GLU 76 Ca 0.48 0.86 -0.06 0.00 0.00 0.00 0.00 57.16 58.44 3dex n GLU 76 Cb 0.43 -2.71 -0.04 0.00 0.00 0.00 0.00 31.44 29.12 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 5.99 -0.32 0.39 5.31 -0.04 -1.26 -1.73 135.00 143.34 3dex n PRO 77 Ca 0.21 1.37 -0.19 0.00 -0.04 0.00 0.00 63.50 64.84 3dex n PRO 77 Cb 0.32 -2.02 -0.10 0.00 -0.04 0.00 0.00 33.50 31.66 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 0.01 -0.57 0.52 2.02 -1.98 0.13 112.91 113.04 3dex h THR 78 Ca 0.22 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.50 3dex h THR 78 Cb 0.44 0.01 -0.11 0.00 -1.74 0.00 0.00 68.15 66.75 3dex h THR 78 CO -0.87 0.00 -0.31 0.00 0.37 0.00 0.00 175.52 174.72 3dex h ALA 79 N -1.05 0.01 -0.07 6.16 0.00 -1.83 -0.33 119.26 122.14 3dex h ALA 79 Ca -0.09 0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3dex h ALA 79 Cb 0.94 0.73 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 3dex h ALA 79 CO 0.05 -0.65 -0.46 -0.24 0.00 0.00 0.00 179.25 177.95 3dex h VAL 80 N -0.15 1.33 -0.04 0.00 3.04 -1.27 -2.66 116.25 116.50 3dex h VAL 80 Ca 0.24 -1.63 -0.10 0.00 -1.01 0.00 0.00 66.70 64.19 3dex h VAL 80 Cb 0.54 1.80 -0.01 0.00 -2.01 0.00 0.00 31.29 31.60 3dex h VAL 80 CO -0.66 0.48 -0.44 0.11 -1.01 0.00 0.00 177.57 176.05 3dex h LYS 81 N 0.14 0.09 -0.29 4.17 1.57 0.69 -1.75 116.57 121.19 3dex h LYS 81 Ca 0.01 -0.04 -0.17 0.00 -1.87 0.00 0.00 60.65 58.57 3dex h LYS 81 Cb 0.87 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 3dex h LYS 81 CO 0.07 0.51 -0.50 -0.09 -0.57 0.00 0.00 179.45 178.87 3dex h ARG 82 N 0.07 0.84 -0.13 3.15 2.43 -0.84 -0.67 114.38 119.24 3dex h ARG 82 Ca 0.00 -0.53 -0.10 0.00 -0.81 0.00 0.00 59.98 58.55 3dex h ARG 82 Cb 0.81 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 3dex h ARG 82 CO 0.06 1.16 -0.36 -0.07 -1.51 0.00 0.00 179.97 179.25 3dex h LEU 83 N 0.62 0.27 -0.34 3.80 4.07 -1.33 -1.68 115.31 120.72 3dex h LEU 83 Ca 0.02 -0.10 -0.19 0.00 0.08 0.00 0.00 57.88 57.68 3dex h LEU 83 Cb 1.11 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 42.77 3dex h LEU 83 CO 0.11 0.62 -0.79 0.58 -1.08 0.00 0.00 178.44 177.88 3dex h VAL 84 N 0.23 1.39 -0.27 1.22 2.07 -1.17 -2.99 116.25 116.73 3dex h VAL 84 Ca 0.03 -2.25 -0.11 0.00 0.82 0.00 0.00 66.70 65.19 3dex h VAL 84 Cb 0.75 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 3dex h VAL 84 CO 0.06 0.67 -0.27 -0.09 0.02 0.00 0.00 177.57 177.96 3dex h ARG 85 N 0.25 0.55 -0.62 1.57 2.43 -0.87 -1.46 114.38 116.23 3dex h ARG 85 Ca -0.04 -0.22 0.03 0.00 -0.81 0.00 0.00 59.98 58.94 3dex h ARG 85 Cb 1.38 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.87 3dex h ARG 85 CO 0.13 0.77 0.41 -0.44 -1.51 0.00 0.00 179.97 179.33 3dex h ASP 86 N 0.48 0.64 0.00 -3.80 3.45 -1.21 -1.11 116.42 114.86 3dex h ASP 86 Ca 0.06 -0.01 -0.07 0.00 0.43 0.00 0.00 57.03 57.45 3dex h ASP 86 Cb 0.72 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 39.33 3dex h ASP 86 CO 0.06 0.44 -0.45 0.03 -1.57 0.00 0.00 179.24 177.75 3dex h ARG 87 N 0.74 0.00 0.00 3.56 2.47 -1.33 -3.41 114.38 116.41 3dex h ARG 87 Ca 0.25 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.97 3dex h ARG 87 Cb 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 3dex h ARG 87 CO -0.07 0.64 0.00 0.28 0.56 0.00 0.00 179.97 181.38 3dex n VAL 88 N -4.59 0.00 -3.39 2.04 0.31 -0.58 -4.85 118.33 107.27 3dex n VAL 88 Ca -0.14 0.79 -0.15 0.00 -0.01 0.00 0.00 64.34 64.82 3dex n VAL 88 Cb 0.41 -1.73 -0.09 0.00 -0.91 0.00 0.00 33.84 31.52 3dex n VAL 88 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dex s ALA 89 N -2.11 -0.62 -0.82 3.52 0.00 -0.46 -5.07 121.76 116.19 3dex s ALA 89 Ca 0.00 -0.09 -0.21 0.00 0.00 0.00 0.00 51.96 51.67 3dex s ALA 89 Cb 0.00 -1.80 -0.18 0.00 0.00 0.00 0.00 23.12 21.14 3dex s ALA 89 CO 0.00 -1.64 2.09 -0.35 0.00 0.00 0.00 175.76 175.85 3dex n PRO 90 N 5.32 0.24 -0.80 0.00 -0.04 -0.95 -4.79 135.00 133.99 3dex n PRO 90 Ca -0.02 -0.93 0.00 0.00 -0.04 0.00 0.00 63.50 62.51 3dex n PRO 90 Cb 0.47 -3.07 0.00 0.00 -0.04 0.00 0.00 33.50 30.87 3dex n PRO 90 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3dex n GLU 91 N 7.55 2.94 0.00 0.54 1.02 -1.26 -5.08 120.64 126.35 3dex n GLU 91 Ca 0.41 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.68 3dex n GLU 91 Cb 0.41 0.00 0.30 0.00 -0.02 0.00 0.00 31.44 32.14 3dex n GLU 91 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94