#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 -2.44 3.57 5.66 -1.04 -4.33 114.28 115.70 3dex n THR 12 Ca 0.00 -0.87 -0.35 0.00 -3.05 0.00 0.00 64.05 59.78 3dex n THR 12 Cb 0.00 0.93 -0.02 0.00 -1.55 0.00 0.00 70.33 69.69 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 0.00 2.93 -0.15 1.09 3.76 -0.45 -4.10 115.29 118.38 3dex s HIS 13 Ca 0.30 1.57 -0.01 0.00 -0.15 0.00 0.00 55.06 56.77 3dex s HIS 13 Cb 0.34 -3.17 -0.01 0.00 1.11 0.00 0.00 32.58 30.84 3dex s HIS 13 CO -0.15 -1.08 -0.11 1.03 -0.85 0.00 0.00 174.74 173.58 3dex s ARG 14 N -3.08 3.40 0.05 1.40 0.52 -1.26 0.59 118.95 120.58 3dex s ARG 14 Ca 0.67 -0.66 0.07 0.00 -0.52 0.00 0.00 55.73 55.28 3dex s ARG 14 Cb -0.21 -2.71 -0.03 0.00 0.52 0.00 0.00 34.95 32.52 3dex s ARG 14 CO 0.24 0.15 -0.15 0.08 0.02 0.00 0.00 175.30 175.64 3dex s VAL 15 N 0.53 3.01 0.00 3.52 1.01 -0.93 -1.12 120.40 126.43 3dex s VAL 15 Ca -0.08 -1.18 0.01 0.00 0.00 0.00 0.00 61.98 60.74 3dex s VAL 15 Cb -0.15 -2.31 -0.00 0.00 0.00 0.00 0.00 36.38 33.91 3dex s VAL 15 CO 0.04 0.28 -0.04 -1.58 0.00 0.00 0.00 175.10 173.80 3dex s GLN 16 N -1.64 0.33 -0.18 2.72 0.74 -0.06 -0.73 119.66 120.84 3dex s GLN 16 Ca 0.16 -0.19 0.01 0.00 0.05 0.00 0.00 55.36 55.39 3dex s GLN 16 Cb -0.11 -0.29 0.04 0.00 1.10 0.00 0.00 33.01 33.74 3dex s GLN 16 CO 0.07 0.08 -0.11 0.42 -0.55 0.00 0.00 175.29 175.20 3dex s ILE 17 N -0.20 1.56 -0.31 -2.34 1.01 0.33 -0.33 121.20 120.91 3dex s ILE 17 Ca 0.00 -0.84 -0.09 0.00 0.00 0.00 0.00 60.65 59.72 3dex s ILE 17 Cb -0.02 -1.59 0.00 0.00 0.01 0.00 0.00 42.46 40.86 3dex s ILE 17 CO -0.00 0.26 0.14 -0.70 0.00 0.00 0.00 174.94 174.64 3dex s GLU 18 N 1.45 3.19 0.02 2.79 2.12 -0.37 -0.61 118.70 127.29 3dex s GLU 18 Ca 0.01 -0.81 0.05 0.00 0.36 0.00 0.00 54.97 54.58 3dex s GLU 18 Cb -0.15 -3.52 -0.03 0.00 0.26 0.00 0.00 34.13 30.68 3dex s GLU 18 CO -0.09 -0.46 -0.13 1.52 -0.54 0.00 0.00 175.26 175.56 3dex s TYR 19 N 1.57 2.70 -0.14 5.30 1.13 -1.03 -1.36 117.35 125.52 3dex s TYR 19 Ca 0.04 -0.16 -0.29 0.00 -1.41 0.00 0.00 57.07 55.24 3dex s TYR 19 Cb -0.17 -1.53 -0.04 0.00 -1.10 0.00 0.00 41.96 39.12 3dex s TYR 19 CO 0.05 0.30 1.62 0.00 -2.51 0.00 0.00 175.55 175.01 3dex h THR 21 N 5.88 1.29 -0.28 0.00 1.03 -1.59 -3.01 112.91 116.23 3dex h THR 21 Ca -0.36 -1.14 -0.02 0.00 -0.01 0.00 0.00 66.41 64.89 3dex h THR 21 Cb 1.16 1.46 -0.01 0.00 -1.07 0.00 0.00 68.15 69.69 3dex h THR 21 CO 0.98 0.36 0.09 1.56 -0.01 0.00 0.00 175.52 178.50 3dex h GLN 22 N 0.29 0.39 0.00 0.00 1.08 -1.80 -1.60 115.11 113.47 3dex h GLN 22 Ca 0.07 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3dex h GLN 22 Cb 0.58 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 3dex h GLN 22 CO 0.03 0.34 0.00 0.00 -0.95 0.00 0.00 178.83 178.26 3dex n ARG 24 N -0.72 -5.40 -0.54 0.00 5.12 -0.60 -4.89 116.66 109.62 3dex n ARG 24 Ca 0.09 0.64 0.10 0.00 -1.93 0.00 0.00 57.85 56.76 3dex n ARG 24 Cb 0.04 -5.36 0.35 0.00 -1.16 0.00 0.00 32.46 26.34 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 1.33 0.05 -1.55 8.01 -1.14 -4.50 117.44 115.22 3dex n TRP 25 Ca -0.19 -0.58 -0.12 0.00 -1.31 0.00 0.00 57.50 55.30 3dex n TRP 25 Cb 0.63 -0.17 -0.07 0.00 -2.01 0.00 0.00 31.31 29.70 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 4.19 -0.03 -0.71 -0.99 5.85 -1.88 -1.63 115.31 120.11 3dex h LEU 26 Ca 0.00 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.81 3dex h LEU 26 Cb 1.31 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.28 3dex h LEU 26 CO 0.16 -0.02 0.36 1.55 -0.34 0.00 0.00 178.44 180.15 3dex h PRO 27 N -0.02 0.60 0.00 5.25 0.13 -2.00 0.18 132.00 136.14 3dex h PRO 27 Ca 0.00 -0.04 -0.09 0.00 -0.87 0.00 0.00 66.00 65.01 3dex h PRO 27 Cb 0.02 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.01 3dex h PRO 27 CO -0.00 0.40 -0.42 0.07 -0.23 0.00 0.00 178.00 177.81 3dex h ARG 28 N 0.61 0.00 -0.24 0.86 0.11 -1.84 -0.72 114.38 113.17 3dex h ARG 28 Ca 0.34 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 60.33 3dex h ARG 28 Cb 0.34 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.42 3dex h ARG 28 CO -0.26 0.42 -0.23 0.00 0.10 0.00 0.00 179.97 180.00 3dex h ALA 29 N 1.58 0.35 -0.81 0.08 0.00 -0.36 -2.07 119.26 118.03 3dex h ALA 29 Ca -0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 3dex h ALA 29 Cb 0.91 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 3dex h ALA 29 CO 0.06 0.32 0.36 0.00 0.00 0.00 0.00 179.25 179.98 3dex h ALA 30 N 0.68 1.10 0.14 0.00 0.00 -0.37 -1.25 119.26 119.56 3dex h ALA 30 Ca 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3dex h ALA 30 Cb 0.79 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3dex h ALA 30 CO 0.06 0.66 -0.07 2.35 0.00 0.00 0.00 179.25 182.25 3dex h TRP 31 N 1.17 -0.18 -0.99 0.00 7.01 -1.04 -1.97 115.95 119.95 3dex h TRP 31 Ca 0.28 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.33 3dex h TRP 31 Cb 0.16 0.06 -0.07 0.00 -2.10 0.00 0.00 29.16 27.22 3dex h TRP 31 CO 0.02 -0.05 0.64 1.25 -2.79 0.00 0.00 178.44 177.51 3dex h LEU 32 N -0.26 1.03 -0.82 0.65 6.46 -1.16 -0.22 115.31 120.99 3dex h LEU 32 Ca -0.02 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.77 3dex h LEU 32 Cb 0.21 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 39.88 3dex h LEU 32 CO 0.03 0.66 0.54 0.00 -0.62 0.00 0.00 178.44 179.05 3dex h ALA 33 N 1.46 1.06 -0.40 1.25 0.00 -0.98 0.80 119.26 122.45 3dex h ALA 33 Ca 0.42 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.21 3dex h ALA 33 Cb 0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3dex h ALA 33 CO -0.16 0.40 -0.06 0.37 0.00 0.00 0.00 179.25 179.80 3dex h GLN 34 N 1.07 0.74 0.06 0.00 4.15 -0.48 0.10 115.11 120.76 3dex h GLN 34 Ca 0.31 -0.27 0.01 0.00 0.77 0.00 0.00 58.65 59.47 3dex h GLN 34 Cb -0.07 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 3dex h GLN 34 CO -0.09 0.86 -0.08 0.93 -1.93 0.00 0.00 178.83 178.52 3dex h GLU 35 N 0.56 -0.16 -0.59 1.69 4.39 -0.42 -1.27 114.58 118.78 3dex h GLU 35 Ca 0.11 0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.72 3dex h GLU 35 Cb 0.56 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 3dex h GLU 35 CO 0.03 -0.11 -0.03 -0.07 -1.16 0.00 0.00 179.01 177.68 3dex h LEU 36 N -0.17 1.05 -1.16 1.33 3.38 -0.80 -2.48 115.31 116.46 3dex h LEU 36 Ca 0.01 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.59 3dex h LEU 36 Cb 0.18 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3dex h LEU 36 CO -0.04 1.11 -0.37 -0.07 0.09 0.00 0.00 178.44 179.16 3dex h LEU 37 N 0.96 0.00 0.02 1.67 3.38 -0.69 0.70 115.31 121.35 3dex h LEU 37 Ca 0.16 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.91 3dex h LEU 37 Cb 0.59 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 3dex h LEU 37 CO 0.04 0.37 -1.05 0.00 0.09 0.00 0.00 178.44 177.89 3dex h THR 38 N 0.00 1.67 0.07 0.22 1.03 -1.12 -1.74 112.91 113.04 3dex h THR 38 Ca -0.00 -3.36 -0.29 0.00 -0.01 0.00 0.00 66.41 62.74 3dex h THR 38 Cb 0.77 2.86 -0.02 0.00 -1.07 0.00 0.00 68.15 70.68 3dex h THR 38 CO 0.05 0.96 -1.53 0.74 -0.01 0.00 0.00 175.52 175.73 3dex h THR 39 N 0.01 1.12 -0.20 0.00 2.02 -1.22 -3.38 112.91 111.26 3dex h THR 39 Ca -0.03 -2.83 -0.13 0.00 0.77 0.00 0.00 66.41 64.19 3dex h THR 39 Cb 1.81 2.68 -0.09 0.00 -1.74 0.00 0.00 68.15 70.80 3dex h THR 39 CO 0.14 0.77 -0.43 0.49 0.37 0.00 0.00 175.52 176.87 3dex n PHE 40 N -3.35 0.69 0.00 3.16 3.01 0.22 -4.78 117.46 116.42 3dex n PHE 40 Ca -0.15 -1.65 0.06 0.00 1.01 0.00 0.00 57.45 56.71 3dex n PHE 40 Cb 1.03 -0.34 0.46 0.00 -0.01 0.00 0.00 39.48 40.62 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 1.18 0.46 0.00 -1.08 4.11 -1.49 -0.34 114.58 117.42 3dex h GLU 41 Ca 0.11 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.52 3dex h GLU 41 Cb 1.23 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3dex h GLU 41 CO 0.22 0.31 -0.16 -2.37 0.07 0.00 0.00 179.01 177.08 3dex n THR 42 N -4.48 0.51 0.47 -1.06 5.66 -1.26 -3.84 114.28 110.29 3dex n THR 42 Ca 0.04 -0.27 0.05 0.00 -3.05 0.00 0.00 64.05 60.82 3dex n THR 42 Cb 0.13 -0.46 -0.07 0.00 -1.55 0.00 0.00 70.33 68.38 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 -2.19 2.99 -4.02 1.09 4.71 -0.63 -4.31 120.64 118.27 3dex n GLU 43 Ca 0.05 -0.01 -0.35 0.00 -0.01 0.00 0.00 57.16 56.84 3dex n GLU 43 Cb 0.43 -1.06 -0.09 0.00 -1.01 0.00 0.00 31.44 29.71 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 -2.66 3.90 0.11 -4.62 1.43 -0.23 -1.34 118.68 115.27 3dex s LEU 44 Ca 0.03 0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.31 3dex s LEU 44 Cb 0.08 -1.97 -0.18 0.00 0.03 0.00 0.00 46.19 44.15 3dex s LEU 44 CO 0.46 0.24 1.25 0.00 0.23 0.00 0.00 176.35 178.54 3dex h THR 45 N 4.61 1.57 -1.34 5.49 1.03 0.00 -3.45 112.91 120.83 3dex h THR 45 Ca -0.42 -3.06 0.27 0.00 -0.01 0.00 0.00 66.41 63.19 3dex h THR 45 Cb 1.18 2.78 -0.20 0.00 -1.07 0.00 0.00 68.15 70.84 3dex h THR 45 CO 0.67 0.89 0.86 -1.83 -0.01 0.00 0.00 175.52 176.09 3dex s GLU 46 N -2.83 0.22 -0.10 0.00 -1.05 -1.22 -5.03 118.70 108.70 3dex s GLU 46 Ca -0.02 -0.07 0.01 0.00 -0.15 0.00 0.00 54.97 54.74 3dex s GLU 46 Cb 0.09 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 0.00 175.26 175.68 3dex s LEU 47 N -2.04 1.48 0.11 1.83 0.20 -1.26 -2.19 118.68 116.81 3dex s LEU 47 Ca 0.10 -0.33 0.06 0.00 0.69 0.00 0.00 54.13 54.65 3dex s LEU 47 Cb -0.01 -0.90 -0.04 0.00 -0.43 0.00 0.00 46.19 44.81 3dex s LEU 47 CO -0.04 -0.04 -0.05 0.00 -0.29 0.00 0.00 176.35 175.94 3dex s ALA 48 N 1.18 3.13 -0.21 5.97 0.00 0.09 -4.99 121.76 126.93 3dex s ALA 48 Ca -0.04 -1.21 -0.03 0.00 0.00 0.00 0.00 51.96 50.68 3dex s ALA 48 Cb -0.14 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 21.95 3dex s ALA 48 CO -0.03 0.64 -0.08 -0.51 0.00 0.00 0.00 175.76 175.79 3dex s LEU 49 N -2.36 2.74 -0.24 0.00 1.43 -1.26 -0.52 118.68 118.47 3dex s LEU 49 Ca 0.24 -0.49 -0.03 0.00 -1.03 0.00 0.00 54.13 52.82 3dex s LEU 49 Cb -0.11 -1.67 0.01 0.00 0.03 0.00 0.00 46.19 44.45 3dex s LEU 49 CO 0.16 -0.02 -0.04 -0.75 0.23 0.00 0.00 176.35 175.92 3dex s LYS 50 N 1.42 3.04 0.27 1.70 2.20 0.22 -4.96 119.74 123.63 3dex s LYS 50 Ca 0.05 -0.85 -0.30 0.00 -0.36 0.00 0.00 55.97 54.51 3dex s LYS 50 Cb -0.14 -3.02 -0.12 0.00 -1.51 0.00 0.00 37.83 33.04 3dex s LYS 50 CO -0.06 -0.33 1.64 -2.14 -0.36 0.00 0.00 175.35 174.09 3dex s PRO 51 N 1.39 4.12 0.51 4.03 0.02 -1.26 -2.45 135.00 141.35 3dex s PRO 51 Ca 0.02 2.60 0.03 0.00 0.02 0.00 0.00 61.00 63.67 3dex s PRO 51 Cb -0.16 -3.03 -0.00 0.00 0.02 0.00 0.00 34.50 31.33 3dex s PRO 51 CO -0.04 -0.67 0.12 0.20 -0.33 0.00 0.00 177.00 176.28 3dex s GLY 52 N 0.68 2.79 0.00 0.52 0.00 0.14 -4.85 107.32 106.60 3dex s GLY 52 Ca 0.66 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 44.58 3dex s GLY 52 CO 0.44 -2.11 0.00 2.41 0.00 0.00 0.00 173.10 173.84 3dex n THR 53 N -1.39 0.00 -4.89 0.90 -1.04 -1.26 -2.35 114.28 104.25 3dex n THR 53 Ca -0.13 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.57 3dex n THR 53 Cb 0.66 -0.29 -0.17 0.00 -1.82 0.00 0.00 70.33 68.72 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 1.27 0.00 3.41 0.00 -1.26 -3.96 107.32 106.78 3dex s GLY 54 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.78 3dex s GLY 54 CO 0.00 -0.12 0.00 0.61 0.00 0.00 0.00 173.10 173.59 3dex n GLY 55 N 3.81 0.20 3.71 0.20 0.00 -1.26 -4.95 105.19 106.90 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 -1.54 4.39 -0.37 1.61 1.01 -1.26 -4.81 120.40 119.43 3dex s VAL 56 Ca 0.00 1.72 0.05 0.00 0.00 0.00 0.00 61.98 63.75 3dex s VAL 56 Cb 0.00 -4.10 0.17 0.00 0.00 0.00 0.00 36.38 32.45 3dex s VAL 56 CO 0.00 0.12 0.49 0.12 0.00 0.00 0.00 175.10 175.83 3dex s PHE 57 N 1.14 -1.05 0.06 5.22 5.36 -1.22 0.70 117.98 128.19 3dex s PHE 57 Ca 0.56 -0.11 0.06 0.00 -0.96 0.00 0.00 56.93 56.47 3dex s PHE 57 Cb -0.26 -0.05 -0.03 0.00 -0.34 0.00 0.00 43.02 42.35 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 1.85 1.30 -0.13 3.12 0.11 -0.47 -1.49 120.40 124.70 3dex s VAL 58 Ca 0.15 -1.21 -0.01 0.00 -2.93 0.00 0.00 61.98 57.98 3dex s VAL 58 Cb -0.10 -1.19 -0.02 0.00 -1.53 0.00 0.00 36.38 33.54 3dex s VAL 58 CO -0.10 -0.04 -0.10 -0.69 -3.33 0.00 0.00 175.10 170.83 3dex s VAL 59 N -1.01 3.32 -0.02 2.04 1.01 0.50 -1.24 120.40 125.00 3dex s VAL 59 Ca 0.02 -0.57 0.08 0.00 0.00 0.00 0.00 61.98 61.51 3dex s VAL 59 Cb -0.09 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 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 0.23 2.02 -0.19 2.72 0.52 0.55 -0.58 118.95 124.23 3dex s ARG 60 Ca -0.07 -0.91 0.01 0.00 -0.52 0.00 0.00 55.73 54.24 3dex s ARG 60 Cb -0.15 -1.97 0.04 0.00 0.52 0.00 0.00 34.95 33.39 3dex s ARG 60 CO 0.04 0.54 -0.10 0.08 0.02 0.00 0.00 175.30 175.88 3dex s VAL 61 N -0.60 1.58 -1.25 3.52 1.01 0.51 -0.88 120.40 124.29 3dex s VAL 61 Ca 0.10 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 3dex s VAL 61 Cb -0.10 -1.65 -0.00 0.00 0.00 0.00 0.00 36.38 34.64 3dex s VAL 61 CO -0.01 0.19 0.85 0.47 0.00 0.00 0.00 175.10 176.61 3dex n ASP 62 N 4.71 -1.60 0.00 3.32 10.43 -0.27 -1.64 116.55 131.50 3dex n ASP 62 Ca -0.15 -0.72 0.00 0.00 2.57 0.00 0.00 54.79 56.50 3dex n ASP 62 Cb 0.47 -4.60 0.00 0.00 1.84 0.00 0.00 41.12 38.83 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 -0.30 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 54.83 3dex n ASP 63 Cb 0.67 -0.76 -0.08 0.00 -0.02 0.00 0.00 41.12 40.93 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 4.10 0.04 -1.24 2.02 -0.65 -5.04 118.70 117.87 3dex s GLU 64 Ca 0.00 0.02 -0.30 0.00 0.02 0.00 0.00 54.97 54.70 3dex s GLU 64 Cb 0.00 -3.57 -0.07 0.00 0.10 0.00 0.00 34.13 30.59 3dex s GLU 64 CO 0.00 -0.07 1.59 0.54 0.02 0.00 0.00 175.26 177.35 3dex s VAL 65 N 1.42 3.27 -0.04 2.63 0.11 -1.26 -0.36 120.40 126.17 3dex s VAL 65 Ca 0.15 0.66 0.11 0.00 -2.93 0.00 0.00 61.98 59.96 3dex s VAL 65 Cb -0.15 -3.42 -0.16 0.00 -1.53 0.00 0.00 36.38 31.12 3dex s VAL 65 CO 0.07 -0.01 0.19 0.52 -3.33 0.00 0.00 175.10 172.55 3dex n VAL 66 N 4.81 0.17 -3.71 2.04 0.31 0.26 -4.92 118.33 117.29 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 0.01 -0.11 0.00 -0.91 0.00 0.00 33.84 33.24 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 -2.64 -0.50 -0.09 3.52 -0.11 -0.94 -4.97 118.94 113.20 3dex s TRP 67 Ca -0.04 1.11 0.01 0.00 1.22 0.00 0.00 56.10 58.39 3dex s TRP 67 Cb 0.06 0.19 0.02 0.00 -1.50 0.00 0.00 33.47 32.24 3dex s TRP 67 CO 0.45 -0.30 -0.09 0.34 -4.62 0.00 0.00 176.95 172.73 3dex s ASP 68 N 1.27 1.96 0.10 5.86 -1.08 -1.26 -0.37 116.67 123.15 3dex s ASP 68 Ca -0.09 -0.29 -0.32 0.00 -0.52 0.00 0.00 52.55 51.33 3dex s ASP 68 Cb -0.09 -0.81 -0.13 0.00 -1.46 0.00 0.00 42.92 40.43 3dex s ASP 68 CO -0.10 -0.06 1.51 -0.09 0.52 0.00 0.00 175.17 176.94 3dex h ARG 69 N 7.70 -0.64 -2.00 4.34 2.43 -1.46 0.38 114.38 125.13 3dex h ARG 69 Ca -0.31 0.04 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 -0.43 0.00 2.89 -1.51 0.00 0.00 179.97 181.36 3dex n ARG 70 N -5.24 0.73 0.00 0.20 -4.01 -1.26 0.13 116.66 107.20 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 0.38 -1.14 0.00 0.00 -3.04 0.00 0.00 32.46 28.66 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 1.63 0.00 0.00 2.89 4.07 -0.93 -4.92 120.64 123.37 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 0.36 -0.18 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 -1.06 0.76 0.00 5.31 6.02 0.08 -5.03 117.38 123.46 3dex n GLN 72 Ca 0.00 -0.71 0.00 0.00 -0.01 0.00 0.00 57.00 56.28 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 -0.15 -0.77 3.64 1.08 0.00 0.34 -4.84 105.19 104.48 3dex n GLY 73 Ca 0.00 -1.14 -0.46 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.29 1.82 -1.89 1.61 7.35 -1.26 -4.33 117.46 120.46 3dex n PHE 74 Ca 0.00 0.54 -0.37 0.00 -0.76 0.00 0.00 57.45 56.86 3dex n PHE 74 Cb 0.00 -2.38 -0.04 0.00 0.35 0.00 0.00 39.48 37.41 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 1.75 2.07 -1.68 -7.13 -0.04 -1.26 -4.94 135.00 123.78 3dex n PRO 75 Ca 0.12 -2.50 -0.45 0.00 -0.04 0.00 0.00 63.50 60.64 3dex n PRO 75 Cb 0.30 -3.41 -0.04 0.00 -0.04 0.00 0.00 33.50 30.31 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 2.55 -0.35 0.54 0.00 -1.26 -4.84 120.64 124.98 3dex n GLU 76 Ca 0.48 0.93 -0.06 0.00 0.00 0.00 0.00 57.16 58.51 3dex n GLU 76 Cb 0.44 -2.81 -0.03 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 6.18 -0.30 0.35 5.31 -0.04 -1.26 -1.79 135.00 143.45 3dex n PRO 77 Ca 0.20 1.33 -0.18 0.00 -0.04 0.00 0.00 63.50 64.80 3dex n PRO 77 Cb 0.35 -1.96 -0.09 0.00 -0.04 0.00 0.00 33.50 31.75 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 0.10 -0.49 0.52 2.02 -1.98 0.12 112.91 113.21 3dex h THR 78 Ca 0.21 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.49 3dex h THR 78 Cb 0.43 0.10 -0.10 0.00 -1.74 0.00 0.00 68.15 66.84 3dex h THR 78 CO -0.84 0.00 -0.28 0.00 0.37 0.00 0.00 175.52 174.77 3dex h ALA 79 N -0.83 0.00 -0.04 6.16 0.00 -1.83 -0.42 119.26 122.30 3dex h ALA 79 Ca -0.08 0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3dex h ALA 79 Cb 0.86 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 3dex h ALA 79 CO 0.04 -0.63 -0.49 -0.24 0.00 0.00 0.00 179.25 177.92 3dex h VAL 80 N -0.17 1.35 -0.01 0.00 3.04 -1.29 -2.67 116.25 116.50 3dex h VAL 80 Ca 0.22 -1.70 -0.10 0.00 -1.01 0.00 0.00 66.70 64.10 3dex h VAL 80 Cb 0.51 1.87 -0.01 0.00 -2.01 0.00 0.00 31.29 31.65 3dex h VAL 80 CO -0.59 0.49 -0.48 0.11 -1.01 0.00 0.00 177.57 176.10 3dex h LYS 81 N 0.08 0.03 -0.22 4.17 1.57 0.47 -1.65 116.57 121.02 3dex h LYS 81 Ca 0.00 -0.01 -0.20 0.00 -1.87 0.00 0.00 60.65 58.57 3dex h LYS 81 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.21 3dex h LYS 81 CO 0.07 0.50 -0.66 -0.09 -0.57 0.00 0.00 179.45 178.69 3dex h ARG 82 N 0.02 0.81 -0.03 3.15 2.43 -0.86 -0.94 114.38 118.97 3dex h ARG 82 Ca -0.00 -0.59 -0.11 0.00 -0.81 0.00 0.00 59.98 58.47 3dex h ARG 82 Cb 0.85 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 3dex h ARG 82 CO 0.06 1.21 -0.49 -0.07 -1.51 0.00 0.00 179.97 179.17 3dex h LEU 83 N 0.59 0.08 -0.25 3.80 4.07 -1.33 -1.56 115.31 120.71 3dex h LEU 83 Ca -0.02 -0.04 -0.21 0.00 0.08 0.00 0.00 57.88 57.69 3dex h LEU 83 Cb 1.28 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.99 3dex h LEU 83 CO 0.14 0.56 -0.85 0.58 -1.08 0.00 0.00 178.44 177.79 3dex h VAL 84 N 0.06 1.38 -0.43 1.22 2.07 -1.17 -3.15 116.25 116.23 3dex h VAL 84 Ca -0.00 -2.29 -0.11 0.00 0.82 0.00 0.00 66.70 65.12 3dex h VAL 84 Cb 0.89 2.27 -0.02 0.00 -1.52 0.00 0.00 31.29 32.92 3dex h VAL 84 CO 0.07 0.69 -0.17 -0.09 0.02 0.00 0.00 177.57 178.09 3dex h ARG 85 N 0.28 0.82 -0.00 1.57 1.12 -0.96 -2.44 114.38 114.77 3dex h ARG 85 Ca -0.06 -0.31 0.00 0.00 -1.11 0.00 0.00 59.98 58.50 3dex h ARG 85 Cb 1.47 -0.05 -0.00 0.00 -0.01 0.00 0.00 29.97 31.38 3dex h ARG 85 CO 0.15 0.93 0.00 -0.44 -3.11 0.00 0.00 179.97 177.50 3dex h ASP 86 N 0.73 0.00 -0.02 -3.80 3.45 -1.25 0.76 116.42 116.28 3dex h ASP 86 Ca 0.11 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.57 3dex h ASP 86 Cb 0.68 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.45 3dex h ASP 86 CO 0.05 0.00 -0.01 0.54 -1.57 0.00 0.00 179.24 178.25 3dex n ARG 87 N -3.26 1.26 -0.63 3.56 5.12 -0.95 -4.49 116.66 117.28 3dex n ARG 87 Ca -0.03 -1.45 0.00 0.00 -1.93 0.00 0.00 57.85 54.44 3dex n ARG 87 Cb 0.07 -1.31 0.00 0.00 -1.16 0.00 0.00 32.46 30.07 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 0.89 0.00 0.00 1.55 0.31 -0.40 -5.04 118.33 115.65 3dex n VAL 88 Ca 0.09 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 3dex n VAL 88 Cb 0.40 0.53 0.00 0.00 -0.91 0.00 0.00 33.84 33.86 3dex n VAL 88 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51