#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dky n SER 2 N 0.00 -5.14 -3.97 1.61 2.88 -1.26 -5.00 113.62 102.75 2dky n SER 2 Ca 0.00 -0.61 -0.17 0.00 -1.33 0.00 0.00 58.87 56.76 2dky n SER 2 Cb 0.00 -4.82 -0.15 0.00 -0.75 0.00 0.00 64.21 58.49 2dky n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dky s SER 3 N -3.55 0.80 -0.06 -3.46 1.04 -1.26 -5.14 113.70 102.07 2dky s SER 3 Ca 0.47 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.79 2dky s SER 3 Cb -0.21 -0.14 0.02 0.00 0.10 0.00 0.00 66.02 65.78 2dky s SER 3 CO 0.75 0.06 -0.03 -0.83 0.98 0.00 0.00 173.24 174.16 2dky s GLY 4 N 0.03 0.49 -0.13 7.32 0.00 -1.26 -5.13 107.32 108.63 2dky s GLY 4 Ca 0.00 -0.11 -0.21 0.00 0.00 0.00 0.00 44.72 44.40 2dky s GLY 4 CO -0.00 0.66 0.60 -1.35 0.00 0.00 0.00 173.10 173.01 2dky s SER 5 N 1.27 6.78 0.26 1.64 1.04 -1.26 -5.07 113.70 118.36 2dky s SER 5 Ca -0.05 0.94 0.08 0.00 0.48 0.00 0.00 55.95 57.39 2dky s SER 5 Cb -0.14 -2.35 -0.04 0.00 0.10 0.00 0.00 66.02 63.60 2dky s SER 5 CO -0.02 -0.14 0.13 -0.44 0.98 0.00 0.00 173.24 173.75 2dky s SER 6 N 0.90 5.15 0.00 7.02 0.01 -1.26 -5.11 113.70 120.42 2dky s SER 6 Ca 0.31 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.15 2dky s SER 6 Cb -0.16 -1.18 0.00 0.00 0.21 0.00 0.00 66.02 64.89 2dky s SER 6 CO 0.13 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.34 2dky n GLY 7 N -1.09 3.48 3.92 3.44 0.00 -1.26 -5.16 105.19 108.52 2dky n GLY 7 Ca -0.07 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 2dky n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2dky s MET 8 N 3.76 3.45 0.01 1.61 0.23 -1.26 -5.04 119.30 122.06 2dky s MET 8 Ca 0.00 -0.43 -0.26 0.00 -1.03 0.00 0.00 55.69 53.97 2dky s MET 8 Cb 0.00 -3.03 -0.15 0.00 -1.53 0.00 0.00 34.83 30.12 2dky s MET 8 CO 0.00 0.61 1.11 0.00 -2.03 0.00 0.00 175.02 174.71 2dky s ARG 10 N -4.62 4.31 -0.20 0.00 1.81 -1.26 -4.91 118.95 114.08 2dky s ARG 10 Ca -0.14 1.81 0.15 0.00 -1.72 0.00 0.00 55.73 55.83 2dky s ARG 10 Cb 0.02 -3.59 0.47 0.00 -0.45 0.00 0.00 34.95 31.40 2dky s ARG 10 CO 0.44 -0.53 1.37 1.63 -0.68 0.00 0.00 175.30 177.53 2dky n LYS 11 N 5.40 2.20 -4.15 3.54 4.76 -1.26 -4.98 118.16 123.67 2dky n LYS 11 Ca 0.12 -2.91 -0.37 0.00 -2.87 0.00 0.00 58.31 52.28 2dky n LYS 11 Cb 0.45 -1.75 -0.04 0.00 -1.84 0.00 0.00 35.03 31.85 2dky n LYS 11 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 2dky n LYS 12 N -0.92 -0.92 0.04 1.97 2.85 -1.26 -4.79 118.16 115.13 2dky n LYS 12 Ca 0.24 0.14 0.08 0.00 -1.05 0.00 0.00 58.31 57.71 2dky n LYS 12 Cb 0.87 -3.29 0.36 0.00 -0.65 0.00 0.00 35.03 32.32 2dky n LYS 12 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 2dky n PRO 13 N -4.74 0.06 -0.30 -1.58 -0.04 -1.26 -3.71 135.00 123.43 2dky n PRO 13 Ca -0.23 0.31 0.16 0.00 -0.04 0.00 0.00 63.50 63.70 2dky n PRO 13 Cb 0.64 -1.61 0.32 0.00 -0.04 0.00 0.00 33.50 32.80 2dky n PRO 13 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2dky n ASP 14 N -1.71 -0.01 -0.02 3.54 -0.08 -1.26 -0.61 116.55 116.39 2dky n ASP 14 Ca 0.03 1.48 -0.21 0.00 -1.51 0.00 0.00 54.79 54.58 2dky n ASP 14 Cb 0.18 -0.58 -0.14 0.00 2.34 0.00 0.00 41.12 42.93 2dky n ASP 14 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2dky n THR 15 N -5.21 1.73 -0.34 5.18 -2.24 -1.24 -4.20 114.28 107.96 2dky n THR 15 Ca 0.23 -0.63 0.04 0.00 -2.27 0.00 0.00 64.05 61.43 2dky n THR 15 Cb 0.78 -1.69 0.11 0.00 -2.10 0.00 0.00 70.33 67.42 2dky n THR 15 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 2dky n MET 16 N -3.48 -0.11 -0.29 -0.78 0.00 0.22 0.13 117.12 112.81 2dky n MET 16 Ca -0.34 1.46 -0.04 0.00 -0.00 0.00 0.00 57.70 58.77 2dky n MET 16 Cb 1.03 -2.18 0.07 0.00 0.00 0.00 0.00 33.22 32.14 2dky n MET 16 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 2dky h ILE 17 N 0.00 1.21 -0.41 1.12 1.08 -1.52 -3.15 117.51 115.83 2dky h ILE 17 Ca 0.43 -0.40 0.04 0.00 -0.39 0.00 0.00 64.86 64.54 2dky h ILE 17 Cb 0.66 0.05 -0.05 0.00 -3.07 0.00 0.00 36.82 34.41 2dky h ILE 17 CO -0.96 0.20 -0.24 -0.11 -0.69 0.00 0.00 178.15 176.35 2dky n LEU 18 N -4.52 -0.44 0.11 1.44 0.00 0.34 0.23 117.00 114.17 2dky n LEU 18 Ca 0.08 1.10 0.15 0.00 0.00 0.00 0.00 56.01 57.34 2dky n LEU 18 Cb 0.02 -0.28 0.66 0.00 0.00 0.00 0.00 43.42 43.83 2dky n LEU 18 CO 0.36 -0.78 1.13 0.71 0.00 0.00 0.00 177.39 178.82 2dky h THR 19 N 0.00 0.86 -0.40 1.96 1.35 -1.54 -1.51 112.91 113.62 2dky h THR 19 Ca 0.07 -0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.88 2dky h THR 19 Cb 0.17 0.85 -0.02 0.00 -1.73 0.00 0.00 68.15 67.42 2dky h THR 19 CO -0.39 0.00 0.09 -0.61 -0.25 0.00 0.00 175.52 174.37 2dky h GLN 20 N 0.01 0.65 0.63 4.72 -0.00 0.28 -2.79 115.11 118.61 2dky h GLN 20 Ca 0.14 -0.16 -0.03 0.00 -0.00 0.00 0.00 58.65 58.60 2dky h GLN 20 Cb 0.55 -0.08 0.01 0.00 0.00 0.00 0.00 27.48 27.96 2dky h GLN 20 CO -0.00 0.68 -0.30 0.82 0.00 0.00 0.00 178.83 180.03 2dky h ILE 21 N 0.51 0.00 -1.00 2.39 2.04 0.18 -3.08 117.51 118.55 2dky h ILE 21 Ca 0.13 -0.16 0.37 0.00 1.00 0.00 0.00 64.86 66.19 2dky h ILE 21 Cb 0.33 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.23 2dky h ILE 21 CO 0.00 0.00 0.36 -0.33 0.00 0.00 0.00 178.15 178.18 2dky h GLU 22 N -1.00 0.01 0.06 2.37 4.39 -1.54 -0.93 114.58 117.94 2dky h GLU 22 Ca -0.09 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 2dky h GLU 22 Cb 0.65 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 2dky h GLU 22 CO 0.14 0.00 -0.09 0.00 -1.16 0.00 0.00 179.01 177.90 2dky h ALA 23 N 2.00 -0.75 -0.92 3.43 0.00 -1.40 -2.45 119.26 119.16 2dky h ALA 23 Ca 0.76 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.75 2dky h ALA 23 Cb 1.88 0.41 -0.12 0.00 0.00 0.00 0.00 17.79 19.96 2dky h ALA 23 CO -0.83 -0.76 -0.47 1.17 0.00 0.00 0.00 179.25 178.36 2dky n LYS 24 N -2.89 -0.33 -0.29 0.00 0.00 -0.37 0.11 118.16 114.39 2dky n LYS 24 Ca -0.02 1.39 -0.01 0.00 0.00 0.00 0.00 58.31 59.68 2dky n LYS 24 Cb 0.08 -2.06 0.05 0.00 0.00 0.00 0.00 35.03 33.11 2dky n LYS 24 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2dky h GLU 25 N 0.00 -0.05 0.28 1.64 5.08 -1.35 -0.09 114.58 120.08 2dky h GLU 25 Ca 0.21 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 2dky h GLU 25 Cb 0.44 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2dky h GLU 25 CO -0.88 -0.04 -0.18 0.00 -1.00 0.00 0.00 179.01 176.91 2dky h ALA 26 N 1.43 -0.44 -0.60 3.43 0.00 0.16 -2.91 119.26 120.32 2dky h ALA 26 Ca 0.33 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.28 2dky h ALA 26 Cb 0.59 0.23 -0.12 0.00 0.00 0.00 0.00 17.79 18.49 2dky h ALA 26 CO -0.83 -0.76 -0.21 0.00 0.00 0.00 0.00 179.25 177.45 2dky h ASP 28 N -0.06 0.50 0.27 0.00 3.58 -0.90 -0.43 116.42 119.38 2dky h ASP 28 Ca 0.28 0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.83 2dky h ASP 28 Cb 0.49 0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.59 2dky h ASP 28 CO -0.65 0.03 -0.13 -0.25 -2.88 0.00 0.00 179.24 175.37 2dky h TRP 29 N 0.41 -0.34 -1.04 0.28 7.01 -0.38 0.38 115.95 122.26 2dky h TRP 29 Ca 0.65 -0.01 0.31 0.00 2.11 0.00 0.00 58.89 61.95 2dky h TRP 29 Cb 1.56 0.11 -0.13 0.00 -2.10 0.00 0.00 29.16 28.60 2dky h TRP 29 CO -0.00 -0.05 0.62 -0.07 -2.79 0.00 0.00 178.44 176.15 2dky h LEU 30 N -0.62 0.52 0.00 0.65 3.38 -0.73 1.78 115.31 120.29 2dky h LEU 30 Ca -0.04 0.15 -0.17 0.00 0.09 0.00 0.00 57.88 57.91 2dky h LEU 30 Cb 0.45 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 2dky h LEU 30 CO 0.06 -0.04 -1.20 -0.09 0.09 0.00 0.00 178.44 177.26 2dky h ARG 31 N 0.38 0.00 -0.31 1.13 2.43 -1.31 0.48 114.38 117.18 2dky h ARG 31 Ca 0.70 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.87 2dky h ARG 31 Cb 1.63 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.18 2dky h ARG 31 CO -0.50 0.44 0.00 0.00 -1.51 0.00 0.00 179.97 178.39 2dky n ALA 32 N -2.37 2.47 -0.05 2.80 0.00 0.19 -4.11 120.51 119.42 2dky n ALA 32 Ca -0.07 -0.75 -0.07 0.00 0.00 0.00 0.00 53.44 52.56 2dky n ALA 32 Cb 0.85 -0.99 -0.06 0.00 0.00 0.00 0.00 19.45 19.25 2dky n ALA 32 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2dky n THR 33 N 0.83 0.66 0.00 0.00 5.66 0.55 -4.96 114.28 117.02 2dky n THR 33 Ca 0.17 -0.30 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 2dky n THR 33 Cb 0.44 -0.86 0.00 0.00 -1.55 0.00 0.00 70.33 68.35 2dky n THR 33 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2dky n GLY 34 N 2.77 0.31 2.95 1.09 0.00 -1.17 -5.08 105.19 106.06 2dky n GLY 34 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 2dky n GLY 34 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dky s PHE 35 N 0.00 3.61 0.26 1.61 0.08 0.17 -4.90 117.98 118.81 2dky s PHE 35 Ca 0.00 -3.27 0.19 0.00 0.12 0.00 0.00 56.93 53.97 2dky s PHE 35 Cb 0.00 -2.83 0.83 0.00 -0.57 0.00 0.00 43.02 40.45 2dky s PHE 35 CO 0.00 -0.60 1.81 -1.00 -0.10 0.00 0.00 175.22 175.34 2dky h PRO 36 N 5.61 0.00 -0.19 0.24 0.13 -1.76 -2.94 132.00 133.09 2dky h PRO 36 Ca 0.13 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.20 2dky h PRO 36 Cb 0.78 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 2dky h PRO 36 CO 0.74 0.33 -0.13 -0.56 -0.23 0.00 0.00 178.00 178.15 2dky h GLN 37 N 0.00 0.30 -0.01 0.86 3.07 -1.90 -1.76 115.11 115.67 2dky h GLN 37 Ca -0.00 -0.08 -0.06 0.00 0.09 0.00 0.00 58.65 58.60 2dky h GLN 37 Cb 0.74 -0.04 -0.01 0.00 0.08 0.00 0.00 27.48 28.25 2dky h GLN 37 CO 0.04 0.44 -0.30 1.88 0.09 0.00 0.00 178.83 180.99 2dky h TYR 38 N 0.29 0.02 0.00 0.06 0.05 -1.84 -1.99 116.97 113.56 2dky h TYR 38 Ca 0.06 -0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.66 2dky h TYR 38 Cb 0.41 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 38.12 2dky h TYR 38 CO 0.01 0.32 -1.06 0.00 -1.05 0.00 0.00 178.16 176.37 2dky h ALA 39 N 1.68 0.61 -0.04 3.88 0.00 -1.51 -3.32 119.26 120.56 2dky h ALA 39 Ca 0.00 -0.81 -0.17 0.00 0.00 0.00 0.00 54.91 53.93 2dky h ALA 39 Cb 0.54 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2dky h ALA 39 CO 0.04 0.98 -0.73 0.37 0.00 0.00 0.00 179.25 179.91 2dky h GLN 40 N 0.00 0.25 -0.02 0.00 5.75 -0.95 -3.00 115.11 117.14 2dky h GLN 40 Ca -0.09 -0.21 0.01 0.00 -0.15 0.00 0.00 58.65 58.20 2dky h GLN 40 Cb 1.61 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 30.20 2dky h GLN 40 CO 0.07 0.87 -0.04 -0.07 -2.65 0.00 0.00 178.83 177.02 2dky h LEU 41 N 0.17 -0.12 -1.44 -2.39 3.38 -1.47 -2.17 115.31 111.28 2dky h LEU 41 Ca -0.02 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2dky h LEU 41 Cb 1.29 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 2dky h LEU 41 CO 0.11 -0.06 -0.09 0.22 0.09 0.00 0.00 178.44 178.72 2dky h TYR 42 N -0.06 0.27 0.00 1.13 5.03 -1.68 -1.72 116.97 119.93 2dky h TYR 42 Ca 0.02 -0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.27 2dky h TYR 42 Cb 0.10 -0.08 -0.00 0.00 1.55 0.00 0.00 36.73 38.29 2dky h TYR 42 CO -0.12 0.36 -0.16 0.93 -1.32 0.00 0.00 178.16 177.84 2dky h GLU 43 N 0.25 0.00 -0.60 1.82 5.08 -1.26 -1.08 114.58 118.79 2dky h GLU 43 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2dky h GLU 43 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2dky h GLU 43 CO 0.02 0.16 0.00 -3.47 -1.00 0.00 0.00 179.01 174.72 2dky n ASP 44 N -4.12 3.38 -3.41 1.42 2.03 -0.73 -4.93 116.55 110.19 2dky n ASP 44 Ca -0.02 -2.10 -0.18 0.00 0.52 0.00 0.00 54.79 53.01 2dky n ASP 44 Cb 0.24 -0.43 0.09 0.00 -0.72 0.00 0.00 41.12 40.30 2dky n ASP 44 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2dky n PHE 45 N 1.14 -2.26 -0.07 -0.67 3.72 -0.41 -4.93 117.46 113.98 2dky n PHE 45 Ca 0.20 0.93 -0.09 0.00 -0.05 0.00 0.00 57.45 58.45 2dky n PHE 45 Cb 0.57 -5.02 -0.15 0.00 -0.94 0.00 0.00 39.48 33.93 2dky n PHE 45 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2dky n LEU 46 N -4.21 0.25 -4.67 4.37 4.77 -0.73 -4.97 117.00 111.81 2dky n LEU 46 Ca -0.24 0.12 -0.31 0.00 -0.03 0.00 0.00 56.01 55.55 2dky n LEU 46 Cb 0.65 0.39 0.17 0.00 -2.33 0.00 0.00 43.42 42.30 2dky n LEU 46 CO 0.60 0.45 0.68 -0.36 -1.33 0.00 0.00 177.39 177.44 2dky s PHE 47 N -2.55 1.62 0.86 -1.77 0.40 -1.26 -4.61 117.98 110.67 2dky s PHE 47 Ca -0.08 1.79 -0.11 0.00 -0.60 0.00 0.00 56.93 57.93 2dky s PHE 47 Cb 0.07 -3.34 0.11 0.00 0.51 0.00 0.00 43.02 40.36 2dky s PHE 47 CO 0.83 -2.82 1.09 -1.25 0.70 0.00 0.00 175.22 173.78 2dky s PRO 48 N -4.65 1.57 0.51 0.24 0.04 -1.26 -4.71 135.00 126.74 2dky s PRO 48 Ca 0.67 0.93 0.05 0.00 0.04 0.00 0.00 61.00 62.68 2dky s PRO 48 Cb -0.23 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.49 2dky s PRO 48 CO 0.58 -2.05 0.27 0.96 0.04 0.00 0.00 177.00 176.80 2dky s ILE 49 N -2.93 1.64 -0.95 0.56 -4.36 -1.26 -5.06 121.20 108.85 2dky s ILE 49 Ca 0.63 -1.64 -0.20 0.00 -0.26 0.00 0.00 60.65 59.18 2dky s ILE 49 Cb -0.18 -2.28 0.11 0.00 1.25 0.00 0.00 42.46 41.36 2dky s ILE 49 CO 0.57 0.00 1.19 -1.81 0.24 0.00 0.00 174.94 175.13 2dky s ASP 50 N -4.13 6.60 0.16 4.36 1.11 -1.26 -4.88 116.67 118.63 2dky s ASP 50 Ca 0.28 -1.91 -0.19 0.00 0.18 0.00 0.00 52.55 50.92 2dky s ASP 50 Cb -0.00 -2.44 0.06 0.00 1.07 0.00 0.00 42.92 41.61 2dky s ASP 50 CO 0.17 -1.16 1.66 0.40 1.18 0.00 0.00 175.17 177.42 2dky h ILE 51 N 6.04 0.56 -0.87 0.77 1.08 -1.99 -1.20 117.51 121.91 2dky h ILE 51 Ca 0.16 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.83 2dky h ILE 51 Cb 1.02 0.56 -0.12 0.00 -3.07 0.00 0.00 36.82 35.22 2dky h ILE 51 CO 1.18 0.00 0.37 0.77 -0.69 0.00 0.00 178.15 179.78 2dky h SER 52 N -0.07 0.32 -0.18 1.72 4.64 -2.02 -0.20 113.55 117.76 2dky h SER 52 Ca 0.17 0.14 0.02 0.00 -0.47 0.00 0.00 61.79 61.65 2dky h SER 52 Cb 0.33 0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 2dky h SER 52 CO -0.38 0.03 0.04 0.25 -0.87 0.00 0.00 176.83 175.90 2dky h LEU 53 N 0.42 0.03 -0.97 5.97 7.12 -1.64 -2.33 115.31 123.91 2dky h LEU 53 Ca 0.53 0.02 0.32 0.00 0.13 0.00 0.00 57.88 58.88 2dky h LEU 53 Cb 0.96 0.03 -0.17 0.00 -0.53 0.00 0.00 40.66 40.95 2dky h LEU 53 CO -0.50 0.04 0.30 0.58 -0.13 0.00 0.00 178.44 178.73 2dky h VAL 54 N 0.12 0.11 -0.16 1.05 2.07 -0.72 0.87 116.25 119.60 2dky h VAL 54 Ca 0.08 -0.03 -0.20 0.00 0.82 0.00 0.00 66.70 67.37 2dky h VAL 54 Cb 0.06 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 2dky h VAL 54 CO -0.10 0.02 -0.70 0.11 0.02 0.00 0.00 177.57 176.92 2dky h LYS 55 N 0.09 0.67 -0.82 1.57 1.57 -1.39 -0.58 116.57 117.68 2dky h LYS 55 Ca 0.68 -0.51 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 2dky h LYS 55 Cb 1.58 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 33.94 2dky h LYS 55 CO -0.78 1.13 0.43 -0.09 -0.57 0.00 0.00 179.45 179.57 2dky h ARG 56 N 0.47 1.15 0.11 3.15 2.43 0.11 0.16 114.38 121.96 2dky h ARG 56 Ca -0.03 -0.14 -0.18 0.00 -0.81 0.00 0.00 59.98 58.82 2dky h ARG 56 Cb 1.30 -0.22 0.02 0.00 -0.42 0.00 0.00 29.97 30.65 2dky h ARG 56 CO 0.14 0.85 -0.76 0.93 -1.51 0.00 0.00 179.97 179.62 2dky h GLU 57 N 1.15 0.32 -1.46 0.20 5.08 -0.78 -3.33 114.58 115.76 2dky h GLU 57 Ca 0.29 -0.49 -0.71 0.00 -1.00 0.00 0.00 59.36 57.44 2dky h GLU 57 Cb 0.05 0.17 -0.29 0.00 0.50 0.00 0.00 28.75 29.19 2dky h GLU 57 CO -0.04 1.21 0.87 0.72 -1.00 0.00 0.00 179.01 180.77 2dky n HIS 58 N -4.15 3.11 0.23 4.33 8.25 -0.23 -4.62 115.22 122.15 2dky n HIS 58 Ca -0.13 -2.69 0.09 0.00 -0.26 0.00 0.00 57.72 54.73 2dky n HIS 58 Cb 0.79 -1.27 0.56 0.00 1.12 0.00 0.00 29.99 31.19 2dky n HIS 58 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 2dky h ASP 59 N 2.48 0.00 -0.95 0.41 3.58 -0.79 -2.82 116.42 118.32 2dky h ASP 59 Ca 0.58 0.00 0.03 0.00 0.42 0.00 0.00 57.03 58.05 2dky h ASP 59 Cb 0.47 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.47 2dky h ASP 59 CO 1.48 0.21 0.62 2.19 -2.88 0.00 0.00 179.24 180.87 2dky h PHE 60 N 0.00 1.17 -2.93 0.28 -0.00 -1.84 -3.44 116.94 110.18 2dky h PHE 60 Ca -0.00 0.03 -0.51 0.00 -0.00 0.00 0.00 57.97 57.49 2dky h PHE 60 Cb 0.52 -0.39 0.22 0.00 -0.00 0.00 0.00 35.95 36.30 2dky h PHE 60 CO 0.00 0.70 -0.84 1.28 -0.00 0.00 0.00 178.31 179.45 2dky n LEU 61 N -4.46 -1.24 -4.93 2.10 4.77 -1.07 -4.99 117.00 107.19 2dky n LEU 61 Ca 0.12 0.16 -0.26 0.00 -0.03 0.00 0.00 56.01 56.01 2dky n LEU 61 Cb 0.07 -1.09 0.01 0.00 -2.33 0.00 0.00 43.42 40.08 2dky n LEU 61 CO 0.35 -3.54 0.40 -1.81 -1.33 0.00 0.00 177.39 171.46 2dky s ASP 62 N -1.90 5.95 0.17 -1.43 1.11 -1.26 -4.89 116.67 114.43 2dky s ASP 62 Ca 0.55 0.64 -0.16 0.00 0.18 0.00 0.00 52.55 53.77 2dky s ASP 62 Cb -0.17 -1.87 0.12 0.00 1.07 0.00 0.00 42.92 42.07 2dky s ASP 62 CO 0.68 -0.73 1.67 -0.09 1.18 0.00 0.00 175.17 177.88 2dky h ARG 63 N 0.21 0.03 -0.39 8.23 2.43 -1.95 0.80 114.38 123.75 2dky h ARG 63 Ca -0.47 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 58.71 2dky h ARG 63 Cb 1.23 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.75 2dky h ARG 63 CO 0.60 0.02 0.24 -0.44 -1.51 0.00 0.00 179.97 178.88 2dky h ASP 64 N 0.03 0.40 -0.86 -3.80 5.19 -2.00 -0.13 116.42 115.26 2dky h ASP 64 Ca 0.21 -0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.64 2dky h ASP 64 Cb 0.32 -0.09 -0.05 0.00 0.18 0.00 0.00 39.33 39.69 2dky h ASP 64 CO -0.42 0.29 0.56 0.00 -3.12 0.00 0.00 179.24 176.55 2dky h ALA 65 N 1.16 1.12 0.58 3.45 0.00 -1.69 -2.66 119.26 121.22 2dky h ALA 65 Ca 0.15 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2dky h ALA 65 Cb -0.02 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.45 2dky h ALA 65 CO -0.05 0.44 -0.28 0.82 0.00 0.00 0.00 179.25 180.17 2dky h ILE 66 N 1.11 0.00 -0.91 0.00 1.08 -0.44 -2.68 117.51 115.67 2dky h ILE 66 Ca 0.33 -0.32 0.19 0.00 -0.39 0.00 0.00 64.86 64.66 2dky h ILE 66 Cb -0.05 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 33.53 2dky h ILE 66 CO -0.10 0.00 -0.21 -0.62 -0.69 0.00 0.00 178.15 176.53 2dky n GLU 67 N -5.00 -0.08 -0.06 2.37 -0.58 -0.10 0.81 120.64 117.99 2dky n GLU 67 Ca -0.10 1.42 -0.09 0.00 -0.42 0.00 0.00 57.16 57.97 2dky n GLU 67 Cb 0.31 -2.12 -0.02 0.00 -0.57 0.00 0.00 31.44 29.03 2dky n GLU 67 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dky h ALA 68 N 1.82 0.29 0.04 0.62 0.00 -1.50 -1.16 119.26 119.37 2dky h ALA 68 Ca 0.44 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.36 2dky h ALA 68 Cb 0.69 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2dky h ALA 68 CO -0.93 -0.27 -0.07 1.25 0.00 0.00 0.00 179.25 179.23 2dky h LEU 69 N 0.27 -0.18 -0.36 0.00 5.85 0.76 -2.86 115.31 118.79 2dky h LEU 69 Ca 0.09 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.90 2dky h LEU 69 Cb 0.01 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 2dky h LEU 69 CO -0.05 -0.10 0.02 0.00 -0.34 0.00 0.00 178.44 177.96 2dky h ARG 71 N 0.12 0.00 0.00 0.00 3.08 -0.97 0.36 114.38 116.97 2dky h ARG 71 Ca 0.17 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.06 2dky h ARG 71 Cb 0.23 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 2dky h ARG 71 CO -0.27 0.00 -0.91 0.00 -1.07 0.00 0.00 179.97 177.72 2dky h ARG 72 N 0.00 0.00 0.30 0.04 -0.00 -1.17 -3.29 114.38 110.26 2dky h ARG 72 Ca 0.81 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 60.29 2dky h ARG 72 Cb 3.41 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 33.35 2dky h ARG 72 CO -0.01 0.99 -0.51 -0.07 0.00 0.00 0.00 179.97 180.37 2dky h LEU 73 N -1.00 -1.46 -0.79 3.04 -0.00 0.02 -2.16 115.31 112.94 2dky h LEU 73 Ca -0.25 0.14 0.19 0.00 -0.00 0.00 0.00 57.88 57.95 2dky h LEU 73 Cb 1.21 0.52 -0.12 0.00 -0.00 0.00 0.00 40.66 42.27 2dky h LEU 73 CO -0.15 -0.60 0.19 -0.55 -0.00 0.00 0.00 178.44 177.32 2dky h ASN 74 N -0.86 -0.01 -0.91 -0.43 7.08 -1.23 0.49 115.58 119.71 2dky h ASN 74 Ca -0.03 0.17 0.24 0.00 -3.08 0.00 0.00 56.30 53.60 2dky h ASN 74 Cb 0.81 0.23 -0.05 0.00 -2.08 0.00 0.00 38.32 37.22 2dky h ASN 74 CO -0.18 -0.08 0.63 0.74 -2.08 0.00 0.00 177.43 176.45 2dky h THR 75 N 0.24 0.60 0.00 6.14 2.02 -1.46 0.14 112.91 120.58 2dky h THR 75 Ca 0.47 -0.06 -0.24 0.00 0.77 0.00 0.00 66.41 67.35 2dky h THR 75 Cb 0.85 0.40 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 2dky h THR 75 CO -0.57 0.03 -1.59 0.18 0.37 0.00 0.00 175.52 173.94 2dky n LEU 76 N -4.39 0.86 -0.23 2.58 4.77 0.15 -2.72 117.00 118.02 2dky n LEU 76 Ca 0.19 0.39 0.18 0.00 -0.03 0.00 0.00 56.01 56.75 2dky n LEU 76 Cb 0.86 0.13 0.50 0.00 -2.33 0.00 0.00 43.42 42.58 2dky n LEU 76 CO 0.35 0.28 1.22 0.78 -1.33 0.00 0.00 177.39 178.69 2dky h ASN 77 N 0.00 0.41 0.01 -1.43 -0.26 0.14 -0.58 115.58 113.87 2dky h ASN 77 Ca -0.23 0.04 -0.41 0.00 -0.56 0.00 0.00 56.30 55.13 2dky h ASN 77 Cb 1.82 -0.04 -0.06 0.00 -1.06 0.00 0.00 38.32 38.98 2dky h ASN 77 CO 0.06 0.18 -2.35 2.29 -1.06 0.00 0.00 177.43 176.55 2dky n LYS 78 N -4.51 0.62 0.21 0.81 2.85 -1.11 -3.93 118.16 113.10 2dky n LYS 78 Ca 0.18 0.26 0.10 0.00 -1.05 0.00 0.00 58.31 57.80 2dky n LYS 78 Cb 0.65 -1.54 0.51 0.00 -0.65 0.00 0.00 35.03 34.00 2dky n LYS 78 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2dky h ALA 80 N 1.32 0.16 -0.56 0.00 0.00 -1.28 -3.39 119.26 115.50 2dky h ALA 80 Ca 0.00 -0.90 0.11 0.00 0.00 0.00 0.00 54.91 54.11 2dky h ALA 80 Cb 0.55 0.59 -0.08 0.00 0.00 0.00 0.00 17.79 18.85 2dky h ALA 80 CO 0.00 0.56 0.09 0.28 0.00 0.00 0.00 179.25 180.18 2dky h VAL 81 N -1.00 0.64 -0.77 0.00 2.07 -1.40 -1.54 116.25 114.25 2dky h VAL 81 Ca -0.21 -0.07 0.27 0.00 0.82 0.00 0.00 66.70 67.51 2dky h VAL 81 Cb 0.99 0.40 -0.14 0.00 -1.52 0.00 0.00 31.29 31.03 2dky h VAL 81 CO -0.13 0.04 0.23 0.23 0.02 0.00 0.00 177.57 177.97 2dky n MET 82 N -5.15 -0.05 -0.26 1.57 2.81 -0.83 0.32 117.12 115.52 2dky n MET 82 Ca 0.08 1.11 0.11 0.00 -1.81 0.00 0.00 57.70 57.19 2dky n MET 82 Cb 0.30 -1.88 0.23 0.00 -0.71 0.00 0.00 33.22 31.16 2dky n MET 82 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 2dky n LYS 83 N -4.90 -0.06 0.03 0.03 0.00 -0.58 -0.87 118.16 111.80 2dky n LYS 83 Ca 0.24 1.13 -0.01 0.00 0.00 0.00 0.00 58.31 59.67 2dky n LYS 83 Cb 0.81 -1.80 -0.01 0.00 0.00 0.00 0.00 35.03 34.04 2dky n LYS 83 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 2dky h LEU 84 N 0.00 -0.07 -9.11 3.14 -0.00 -0.35 -3.42 115.31 105.51 2dky h LEU 84 Ca 0.46 0.00 -0.62 0.00 -0.00 0.00 0.00 57.88 57.73 2dky h LEU 84 Cb 0.95 0.02 -0.15 0.00 -0.00 0.00 0.00 40.66 41.49 2dky h LEU 84 CO -0.71 -0.04 -0.52 -0.70 -0.00 0.00 0.00 178.44 176.46 2dky s GLU 85 N -3.16 4.05 -0.01 1.13 -6.30 -0.05 -4.98 118.70 109.38 2dky s GLU 85 Ca -0.01 -0.29 -0.02 0.00 -2.50 0.00 0.00 54.97 52.15 2dky s GLU 85 Cb 0.00 -3.41 -0.09 0.00 0.00 0.00 0.00 34.13 30.63 2dky s GLU 85 CO 0.03 0.17 2.58 0.43 0.02 0.00 0.00 175.26 178.49 2dky n SER 86 N 3.92 5.33 -4.48 -1.70 7.64 -1.25 -4.62 113.62 118.46 2dky n SER 86 Ca -0.16 -2.45 -0.24 0.00 1.01 0.00 0.00 58.87 57.04 2dky n SER 86 Cb 0.52 -1.23 -0.10 0.00 -1.01 0.00 0.00 64.21 62.39 2dky n SER 86 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dky s GLY 87 N 1.97 1.87 0.63 0.23 0.00 -1.26 -4.52 107.32 106.24 2dky s GLY 87 Ca 0.24 -1.85 -0.16 0.00 0.00 0.00 0.00 44.72 42.95 2dky s GLY 87 CO -0.00 -1.94 1.12 2.56 0.00 0.00 0.00 173.10 174.84 2dky s PRO 88 N -3.48 2.94 0.01 2.90 0.04 -1.26 -4.96 135.00 131.18 2dky s PRO 88 Ca 0.30 1.45 0.07 0.00 0.04 0.00 0.00 61.00 62.86 2dky s PRO 88 Cb -0.05 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 2dky s PRO 88 CO 0.15 -1.15 -0.22 -1.54 0.04 0.00 0.00 177.00 174.29 2dky s SER 89 N -2.37 3.47 0.32 6.66 1.04 -1.26 -5.10 113.70 116.46 2dky s SER 89 Ca 0.68 -0.43 -0.29 0.00 0.48 0.00 0.00 55.95 56.39 2dky s SER 89 Cb -0.21 -0.50 -0.11 0.00 0.10 0.00 0.00 66.02 65.29 2dky s SER 89 CO 0.38 0.29 1.54 -0.94 0.98 0.00 0.00 173.24 175.49 2dky s SER 90 N -1.00 6.39 0.00 7.02 1.04 -1.26 -5.24 113.70 120.65 2dky s SER 90 Ca 0.12 2.96 0.00 0.00 0.48 0.00 0.00 55.95 59.51 2dky s SER 90 Cb -0.10 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.37 2dky s SER 90 CO 0.02 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 173.97