#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dky s SER 2 N 0.00 -0.38 0.07 1.61 1.04 -1.26 -5.17 113.70 109.61 2dky s SER 2 Ca 0.00 0.70 0.00 0.00 0.48 0.00 0.00 55.95 57.13 2dky s SER 2 Cb 0.00 0.62 -0.04 0.00 0.10 0.00 0.00 66.02 66.70 2dky s SER 2 CO 0.00 -0.16 -0.05 -0.44 0.98 0.00 0.00 173.24 173.57 2dky s SER 3 N 1.03 0.75 0.09 7.02 0.01 -1.26 -5.17 113.70 116.17 2dky s SER 3 Ca -0.07 -0.98 -0.08 0.00 1.31 0.00 0.00 55.95 56.13 2dky s SER 3 Cb -0.07 0.15 -0.01 0.00 0.21 0.00 0.00 66.02 66.30 2dky s SER 3 CO -0.08 -0.53 0.18 -0.83 0.41 0.00 0.00 173.24 172.39 2dky s GLY 4 N -2.91 0.16 -0.19 3.44 0.00 -1.26 -5.11 107.32 101.46 2dky s GLY 4 Ca 0.08 -0.70 -0.35 0.00 0.00 0.00 0.00 44.72 43.75 2dky s GLY 4 CO -0.07 -0.86 1.94 1.44 0.00 0.00 0.00 173.10 175.55 2dky n SER 5 N -0.06 2.94 0.04 1.64 7.64 -1.26 -4.88 113.62 119.68 2dky n SER 5 Ca -0.14 0.83 -0.04 0.00 1.01 0.00 0.00 58.87 60.52 2dky n SER 5 Cb 0.62 -1.31 -0.02 0.00 -1.01 0.00 0.00 64.21 62.49 2dky n SER 5 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2dky h SER 6 N 9.86 -0.17 0.00 6.43 0.02 -1.91 -3.50 113.55 124.28 2dky h SER 6 Ca -0.43 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 2dky h SER 6 Cb 1.29 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.87 2dky h SER 6 CO 0.97 0.33 0.00 0.61 -1.14 0.00 0.00 176.83 177.60 2dky n GLY 7 N 1.23 4.43 3.97 -3.77 0.00 -1.26 -5.16 105.19 104.62 2dky n GLY 7 Ca -0.03 -0.72 -0.23 0.00 0.00 0.00 0.00 46.02 45.04 2dky n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dky s MET 8 N -4.02 2.07 0.17 1.61 -1.94 -1.26 -5.11 119.30 110.82 2dky s MET 8 Ca 0.00 -0.75 -0.22 0.00 -1.71 0.00 0.00 55.69 53.01 2dky s MET 8 Cb 0.00 -2.33 0.08 0.00 2.01 0.00 0.00 34.83 34.59 2dky s MET 8 CO 0.00 -1.17 1.05 0.00 -0.01 0.00 0.00 175.02 174.89 2dky s ARG 10 N -2.05 3.53 -0.04 0.00 1.81 -1.26 -5.06 118.95 115.88 2dky s ARG 10 Ca 0.23 -0.61 -0.03 0.00 -1.72 0.00 0.00 55.73 53.61 2dky s ARG 10 Cb -0.03 -3.73 0.01 0.00 -0.45 0.00 0.00 34.95 30.76 2dky s ARG 10 CO 0.05 -0.40 0.09 -1.59 -0.68 0.00 0.00 175.30 172.78 2dky s LYS 11 N 1.70 0.09 -0.63 3.54 -2.85 -1.26 -5.10 119.74 115.23 2dky s LYS 11 Ca 0.06 0.16 0.05 0.00 -1.00 0.00 0.00 55.97 55.23 2dky s LYS 11 Cb -0.17 -0.01 0.16 0.00 -2.06 0.00 0.00 37.83 35.75 2dky s LYS 11 CO 0.10 -0.05 0.41 0.15 0.10 0.00 0.00 175.35 176.06 2dky s LYS 12 N 0.29 2.17 1.16 1.78 -0.14 -1.26 -5.10 119.74 118.65 2dky s LYS 12 Ca -0.02 -3.02 -0.18 0.00 -1.36 0.00 0.00 55.97 51.39 2dky s LYS 12 Cb -0.03 -3.20 0.27 0.00 -1.68 0.00 0.00 37.83 33.19 2dky s LYS 12 CO -0.01 -1.24 1.11 -1.25 -0.76 0.00 0.00 175.35 173.19 2dky s PRO 13 N -0.98 -0.92 -0.28 -1.68 0.04 -1.26 -4.97 135.00 124.96 2dky s PRO 13 Ca 0.23 0.04 -0.29 0.00 0.04 0.00 0.00 61.00 61.02 2dky s PRO 13 Cb -0.10 -1.62 0.01 0.00 0.04 0.00 0.00 34.50 32.83 2dky s PRO 13 CO -0.12 -3.53 1.07 -0.51 0.04 0.00 0.00 177.00 173.95 2dky s ASP 14 N -3.81 6.99 -0.81 6.66 1.01 -1.26 -3.79 116.67 121.67 2dky s ASP 14 Ca 0.70 1.18 -0.02 0.00 0.71 0.00 0.00 52.55 55.13 2dky s ASP 14 Cb -0.11 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.25 2dky s ASP 14 CO 0.56 -0.80 0.69 0.41 0.21 0.00 0.00 175.17 176.24 2dky n THR 15 N 5.66 -5.22 -0.30 -1.27 -1.04 -1.26 -4.92 114.28 105.93 2dky n THR 15 Ca 0.12 -0.58 0.02 0.00 -2.04 0.00 0.00 64.05 61.57 2dky n THR 15 Cb 0.47 -4.74 0.21 0.00 -1.82 0.00 0.00 70.33 64.45 2dky n THR 15 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 2dky h MET 16 N -1.13 1.07 -0.67 -2.82 4.05 -1.96 -1.51 114.93 111.96 2dky h MET 16 Ca -0.42 -0.06 0.07 0.00 -0.28 0.00 0.00 59.70 59.01 2dky h MET 16 Cb 1.23 -0.24 -0.04 0.00 -0.80 0.00 0.00 31.60 31.75 2dky h MET 16 CO 0.34 0.70 0.44 0.82 0.23 0.00 0.00 176.91 179.44 2dky h ILE 17 N 1.10 0.98 -0.32 1.77 5.03 -1.93 -2.20 117.51 121.93 2dky h ILE 17 Ca 0.36 -0.21 0.07 0.00 -0.12 0.00 0.00 64.86 64.95 2dky h ILE 17 Cb 0.04 0.30 -0.06 0.00 -3.03 0.00 0.00 36.82 34.07 2dky h ILE 17 CO -0.11 0.11 -0.10 0.25 -0.68 0.00 0.00 178.15 177.62 2dky h LEU 18 N 0.62 -0.36 -0.60 1.44 6.46 -1.63 -1.83 115.31 119.41 2dky h LEU 18 Ca 0.30 0.10 -0.08 0.00 -0.12 0.00 0.00 57.88 58.08 2dky h LEU 18 Cb 0.35 0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.48 2dky h LEU 18 CO -0.09 -0.13 0.05 0.71 -0.62 0.00 0.00 178.44 178.36 2dky h THR 19 N -0.03 1.26 -0.97 1.05 1.35 -1.49 -2.84 112.91 111.24 2dky h THR 19 Ca 0.16 -1.08 0.16 0.00 -0.55 0.00 0.00 66.41 65.11 2dky h THR 19 Cb 0.27 0.77 -0.09 0.00 -1.73 0.00 0.00 68.15 67.37 2dky h THR 19 CO -0.34 0.39 0.61 -0.61 -0.25 0.00 0.00 175.52 175.32 2dky h GLN 20 N 0.93 0.75 0.33 4.72 4.15 -0.92 0.15 115.11 125.23 2dky h GLN 20 Ca 0.18 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.54 2dky h GLN 20 Cb 0.49 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.01 2dky h GLN 20 CO 0.02 0.50 -0.16 0.82 -1.93 0.00 0.00 178.83 178.08 2dky h ILE 21 N 0.78 0.68 0.32 2.39 2.04 -1.12 0.25 117.51 122.84 2dky h ILE 21 Ca 0.52 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 2dky h ILE 21 Cb 0.79 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 2dky h ILE 21 CO -0.29 0.09 -0.20 -0.33 0.00 0.00 0.00 178.15 177.41 2dky h GLU 22 N -0.69 -0.49 -0.07 2.37 3.07 -1.31 -1.11 114.58 116.35 2dky h GLU 22 Ca -0.05 0.03 0.01 0.00 -0.50 0.00 0.00 59.36 58.86 2dky h GLU 22 Cb 0.48 0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.49 2dky h GLU 22 CO 0.07 -0.32 -0.01 0.00 -1.40 0.00 0.00 179.01 177.35 2dky h ALA 23 N 0.15 0.06 -0.47 3.43 0.00 -0.78 -2.26 119.26 119.39 2dky h ALA 23 Ca -0.03 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.00 2dky h ALA 23 Cb 0.42 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.18 2dky h ALA 23 CO 0.03 -0.48 -0.04 -0.22 0.00 0.00 0.00 179.25 178.53 2dky h LYS 24 N 0.01 0.07 -0.38 0.00 1.63 -0.39 0.18 116.57 117.69 2dky h LYS 24 Ca 0.04 -0.00 0.05 0.00 -0.85 0.00 0.00 60.65 59.89 2dky h LYS 24 Cb 0.05 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 31.61 2dky h LYS 24 CO -0.07 0.04 0.09 0.93 -3.45 0.00 0.00 179.45 177.00 2dky h GLU 25 N 0.07 0.22 0.83 1.90 4.39 -0.92 0.37 114.58 121.44 2dky h GLU 25 Ca 0.23 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.88 2dky h GLU 25 Cb 0.35 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2dky h GLU 25 CO -0.43 0.15 -0.40 0.00 -1.16 0.00 0.00 179.01 177.17 2dky h ALA 26 N 1.28 -1.16 0.22 3.43 0.00 -0.70 -2.13 119.26 120.19 2dky h ALA 26 Ca 0.18 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.86 2dky h ALA 26 Cb 0.20 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 2dky h ALA 26 CO -0.22 -1.07 -0.47 0.00 0.00 0.00 0.00 179.25 177.49 2dky h ASP 28 N -0.77 0.44 0.37 0.00 3.58 -0.33 0.07 116.42 119.78 2dky h ASP 28 Ca -0.01 0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.61 2dky h ASP 28 Cb 0.75 0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.95 2dky h ASP 28 CO -0.21 -0.11 -0.18 -0.25 -2.88 0.00 0.00 179.24 175.61 2dky h TRP 29 N 0.33 -0.46 -1.03 0.28 7.01 -0.58 0.12 115.95 121.62 2dky h TRP 29 Ca 0.69 -0.01 0.32 0.00 2.11 0.00 0.00 58.89 62.00 2dky h TRP 29 Cb 1.52 0.15 -0.14 0.00 -2.10 0.00 0.00 29.16 28.59 2dky h TRP 29 CO -0.06 -0.17 0.60 -0.07 -2.79 0.00 0.00 178.44 175.95 2dky h LEU 30 N -1.04 0.52 0.00 0.65 3.38 0.41 2.13 115.31 121.36 2dky h LEU 30 Ca -0.05 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2dky h LEU 30 Cb 0.50 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2dky h LEU 30 CO 0.08 -0.09 -0.60 -0.09 0.09 0.00 0.00 178.44 177.84 2dky h ARG 31 N 0.35 0.00 -0.35 1.13 1.12 -1.05 -0.32 114.38 115.26 2dky h ARG 31 Ca 0.72 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.59 2dky h ARG 31 Cb 1.66 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.62 2dky h ARG 31 CO -0.55 0.00 0.00 0.00 -3.11 0.00 0.00 179.97 176.31 2dky n ALA 32 N -1.98 2.62 -0.02 2.80 0.00 0.43 -4.53 120.51 119.82 2dky n ALA 32 Ca 0.03 -1.66 -0.03 0.00 0.00 0.00 0.00 53.44 51.78 2dky n ALA 32 Cb 0.49 -0.62 -0.02 0.00 0.00 0.00 0.00 19.45 19.30 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 0.20 0.21 0.00 0.00 5.66 0.62 -4.92 114.28 116.05 2dky n THR 33 Ca 0.17 -0.08 0.00 0.00 -3.05 0.00 0.00 64.05 61.09 2dky n THR 33 Cb 0.67 -0.65 0.00 0.00 -1.55 0.00 0.00 70.33 68.80 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 3.31 0.21 3.07 1.09 0.00 -1.21 -5.08 105.19 106.59 2dky n GLY 34 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 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 3.70 0.15 1.61 0.08 -0.15 -4.89 117.98 118.49 2dky s PHE 35 Ca 0.00 -2.99 0.31 0.00 0.12 0.00 0.00 56.93 54.37 2dky s PHE 35 Cb 0.00 -3.15 1.31 0.00 -0.57 0.00 0.00 43.02 40.61 2dky s PHE 35 CO 0.00 -0.74 1.97 -1.00 -0.10 0.00 0.00 175.22 175.35 2dky h PRO 36 N 6.21 0.00 -0.02 0.24 0.13 -1.80 -2.85 132.00 133.91 2dky h PRO 36 Ca 0.10 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.12 2dky h PRO 36 Cb 0.84 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 2dky h PRO 36 CO 0.79 0.06 -0.50 -0.56 -0.23 0.00 0.00 178.00 177.56 2dky h GLN 37 N 0.00 0.06 0.00 0.86 3.07 -1.90 -2.61 115.11 114.59 2dky h GLN 37 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.71 2dky h GLN 37 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.10 2dky h GLN 37 CO 0.01 0.55 0.00 1.88 0.09 0.00 0.00 178.83 181.36 2dky h TYR 38 N 0.05 0.00 0.00 0.06 0.05 -1.82 -2.26 116.97 113.05 2dky h TYR 38 Ca -0.00 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.74 2dky h TYR 38 Cb 0.91 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.64 2dky h TYR 38 CO 0.00 0.00 -0.97 0.00 -1.05 0.00 0.00 178.16 176.15 2dky h ALA 39 N 2.09 0.58 0.15 3.88 0.00 -1.55 -3.37 119.26 121.04 2dky h ALA 39 Ca 0.00 -0.17 -0.35 0.00 0.00 0.00 0.00 54.91 54.39 2dky h ALA 39 Cb 0.71 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2dky h ALA 39 CO 0.00 0.19 -1.85 0.37 0.00 0.00 0.00 179.25 177.96 2dky h GLN 40 N 0.00 0.32 -0.90 0.00 5.75 -1.33 -3.32 115.11 115.63 2dky h GLN 40 Ca -0.03 -0.54 0.23 0.00 -0.15 0.00 0.00 58.65 58.16 2dky h GLN 40 Cb 1.12 0.20 -0.16 0.00 1.07 0.00 0.00 27.48 29.71 2dky h GLN 40 CO 0.01 1.26 0.06 -0.07 -2.65 0.00 0.00 178.83 177.44 2dky h LEU 41 N 0.04 -0.36 -0.60 -2.39 3.38 -1.57 0.64 115.31 114.46 2dky h LEU 41 Ca -0.38 0.24 -0.14 0.00 0.09 0.00 0.00 57.88 57.69 2dky h LEU 41 Cb 2.03 0.40 -0.01 0.00 0.09 0.00 0.00 40.66 43.18 2dky h LEU 41 CO 0.12 -0.26 -0.36 0.22 0.09 0.00 0.00 178.44 178.24 2dky h TYR 42 N 0.07 0.84 0.00 1.13 5.03 -1.74 -1.20 116.97 121.10 2dky h TYR 42 Ca 0.53 -0.23 -0.01 0.00 2.58 0.00 0.00 58.73 61.60 2dky h TYR 42 Cb 1.05 -0.18 -0.00 0.00 1.55 0.00 0.00 36.73 39.15 2dky h TYR 42 CO -0.44 0.97 -0.04 0.93 -1.32 0.00 0.00 178.16 178.27 2dky h GLU 43 N 0.59 0.00 -0.09 1.82 5.08 0.12 0.50 114.58 122.60 2dky h GLU 43 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2dky h GLU 43 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 2dky h GLU 43 CO 0.08 0.04 0.00 -3.47 -1.00 0.00 0.00 179.01 174.66 2dky n ASP 44 N -4.32 1.98 -2.82 1.42 -0.08 -0.30 -4.95 116.55 107.49 2dky n ASP 44 Ca -0.03 -1.69 -0.13 0.00 -1.51 0.00 0.00 54.79 51.43 2dky n ASP 44 Cb 0.12 -0.05 0.07 0.00 2.34 0.00 0.00 41.12 43.60 2dky n ASP 44 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2dky n PHE 45 N 0.54 -1.69 -0.09 -0.67 3.72 0.16 -4.89 117.46 114.53 2dky n PHE 45 Ca 0.17 0.71 -0.10 0.00 -0.05 0.00 0.00 57.45 58.18 2dky n PHE 45 Cb 0.41 -4.29 -0.16 0.00 -0.94 0.00 0.00 39.48 34.51 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 -3.40 0.15 -4.56 4.37 4.77 -0.48 -4.92 117.00 112.94 2dky n LEU 46 Ca -0.19 0.04 -0.32 0.00 -0.03 0.00 0.00 56.01 55.51 2dky n LEU 46 Cb 0.62 0.43 0.16 0.00 -2.33 0.00 0.00 43.42 42.30 2dky n LEU 46 CO 0.46 0.50 0.36 0.49 -1.33 0.00 0.00 177.39 177.87 2dky n PHE 47 N -2.79 -0.14 -1.27 -1.77 3.01 -1.26 -4.63 117.46 108.61 2dky n PHE 47 Ca -0.32 0.31 -0.31 0.00 1.01 0.00 0.00 57.45 58.14 2dky n PHE 47 Cb 1.15 -1.90 0.09 0.00 -0.01 0.00 0.00 39.48 38.81 2dky n PHE 47 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2dky s PRO 48 N -4.23 2.27 0.49 -1.08 0.04 -1.26 -4.71 135.00 126.51 2dky s PRO 48 Ca 0.63 1.18 0.08 0.00 0.04 0.00 0.00 61.00 62.93 2dky s PRO 48 Cb -0.22 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.45 2dky s PRO 48 CO 0.62 -1.64 0.51 0.96 0.04 0.00 0.00 177.00 177.49 2dky s ILE 49 N -2.88 2.31 -1.01 0.56 -4.36 -1.26 -5.04 121.20 109.51 2dky s ILE 49 Ca 0.61 -1.26 -0.22 0.00 -0.26 0.00 0.00 60.65 59.52 2dky s ILE 49 Cb -0.17 -2.57 0.06 0.00 1.25 0.00 0.00 42.46 41.04 2dky s ILE 49 CO 0.55 0.00 1.40 -1.81 0.24 0.00 0.00 174.94 175.33 2dky s ASP 50 N -4.33 6.53 0.02 4.36 1.01 -1.26 -4.87 116.67 118.14 2dky s ASP 50 Ca 0.48 -1.58 -0.14 0.00 0.71 0.00 0.00 52.55 52.03 2dky s ASP 50 Cb -0.04 -2.54 -0.08 0.00 1.01 0.00 0.00 42.92 41.27 2dky s ASP 50 CO 0.29 -1.43 1.21 0.40 0.21 0.00 0.00 175.17 175.86 2dky h ILE 51 N 6.61 0.00 -1.35 0.77 1.08 -1.99 -0.52 117.51 122.11 2dky h ILE 51 Ca 0.20 0.00 0.45 0.00 -0.39 0.00 0.00 64.86 65.12 2dky h ILE 51 Cb 1.01 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 34.62 2dky h ILE 51 CO 1.38 0.00 0.87 0.28 -0.69 0.00 0.00 178.15 179.98 2dky h SER 52 N -0.49 0.22 -0.13 1.72 0.02 -2.02 0.91 113.55 113.77 2dky h SER 52 Ca -0.05 0.15 -0.11 0.00 -0.84 0.00 0.00 61.79 60.94 2dky h SER 52 Cb 0.38 0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.07 2dky h SER 52 CO 0.07 -0.22 -0.34 0.25 -1.14 0.00 0.00 176.83 175.45 2dky h LEU 53 N 0.05 0.53 -1.95 5.07 7.12 -1.89 -3.09 115.31 121.16 2dky h LEU 53 Ca 0.85 -0.58 0.37 0.00 0.13 0.00 0.00 57.88 58.65 2dky h LEU 53 Cb 2.69 -0.15 -0.05 0.00 -0.53 0.00 0.00 40.66 42.62 2dky h LEU 53 CO -0.44 1.01 0.95 0.58 -0.13 0.00 0.00 178.44 180.41 2dky h VAL 54 N 0.07 0.31 0.21 1.05 2.07 0.25 0.49 116.25 120.71 2dky h VAL 54 Ca -0.00 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.23 2dky h VAL 54 Cb 0.95 0.33 0.03 0.00 -1.52 0.00 0.00 31.29 31.08 2dky h VAL 54 CO 0.07 0.00 -1.26 0.11 0.02 0.00 0.00 177.57 176.51 2dky h LYS 55 N 0.00 0.47 -0.71 1.57 1.57 -1.44 -2.77 116.57 115.27 2dky h LYS 55 Ca 0.60 -0.80 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 2dky h LYS 55 Cb 2.50 0.30 -0.03 0.00 0.08 0.00 0.00 32.23 35.07 2dky h LYS 55 CO -0.01 1.38 0.39 0.00 -0.57 0.00 0.00 179.45 180.64 2dky h ARG 56 N -0.01 0.99 -0.25 3.15 3.08 -0.05 -0.21 114.38 121.09 2dky h ARG 56 Ca -0.22 -0.12 -0.06 0.00 0.07 0.00 0.00 59.98 59.65 2dky h ARG 56 Cb 1.99 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.84 2dky h ARG 56 CO 0.24 0.74 -0.10 0.93 -1.07 0.00 0.00 179.97 180.71 2dky h GLU 57 N 0.97 0.50 -1.90 0.04 4.39 -1.25 -3.23 114.58 114.10 2dky h GLU 57 Ca 0.25 -0.21 -0.73 0.00 0.34 0.00 0.00 59.36 59.01 2dky h GLU 57 Cb 0.04 -0.02 -0.31 0.00 -0.10 0.00 0.00 28.75 28.36 2dky h GLU 57 CO -0.04 0.75 0.61 0.72 -1.16 0.00 0.00 179.01 179.89 2dky n HIS 58 N -4.51 3.09 0.12 4.33 8.25 -1.04 -4.69 115.22 120.77 2dky n HIS 58 Ca -0.04 -2.55 -0.00 0.00 -0.26 0.00 0.00 57.72 54.87 2dky n HIS 58 Cb 0.33 -0.91 0.28 0.00 1.12 0.00 0.00 29.99 30.81 2dky n HIS 58 CO 0.00 0.00 0.00 0.38 0.64 0.00 0.00 176.34 177.36 2dky h ASP 59 N 2.96 0.17 -0.99 0.41 2.03 -1.06 -2.92 116.42 117.02 2dky h ASP 59 Ca 0.50 -0.06 0.10 0.00 -0.73 0.00 0.00 57.03 56.83 2dky h ASP 59 Cb 0.26 -0.05 -0.08 0.00 -0.83 0.00 0.00 39.33 38.63 2dky h ASP 59 CO 1.28 0.53 0.63 2.19 -1.03 0.00 0.00 179.24 182.84 2dky h PHE 60 N 0.14 1.15 -2.27 4.15 -5.15 -1.85 -3.43 116.94 109.67 2dky h PHE 60 Ca 0.02 0.03 -0.51 0.00 -0.20 0.00 0.00 57.97 57.31 2dky h PHE 60 Cb 0.72 -0.37 0.24 0.00 0.22 0.00 0.00 35.95 36.75 2dky h PHE 60 CO 0.01 0.51 -1.48 1.28 -2.00 0.00 0.00 178.31 176.63 2dky n LEU 61 N -4.57 -2.78 -4.95 2.10 4.77 -1.10 -4.98 117.00 105.50 2dky n LEU 61 Ca 0.17 0.10 -0.23 0.00 -0.03 0.00 0.00 56.01 56.02 2dky n LEU 61 Cb 0.29 -0.88 0.02 0.00 -2.33 0.00 0.00 43.42 40.51 2dky n LEU 61 CO 0.29 -3.84 0.33 -1.81 -1.33 0.00 0.00 177.39 171.04 2dky s ASP 62 N -1.51 5.75 0.19 -1.43 1.01 -1.26 -4.88 116.67 114.53 2dky s ASP 62 Ca 0.48 0.33 -0.14 0.00 0.71 0.00 0.00 52.55 53.94 2dky s ASP 62 Cb -0.11 -1.51 0.18 0.00 1.01 0.00 0.00 42.92 42.49 2dky s ASP 62 CO 0.71 -0.80 1.69 -0.09 0.21 0.00 0.00 175.17 176.88 2dky h ARG 63 N 0.27 0.12 0.11 8.23 2.43 -1.95 0.15 114.38 123.74 2dky h ARG 63 Ca -0.46 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 58.71 2dky h ARG 63 Cb 1.26 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 2dky h ARG 63 CO 0.57 0.08 -0.13 0.22 -1.51 0.00 0.00 179.97 179.21 2dky h ASP 64 N 0.12 -0.34 -0.50 -3.80 3.58 -1.99 0.52 116.42 114.02 2dky h ASP 64 Ca 0.25 0.04 0.05 0.00 0.42 0.00 0.00 57.03 57.78 2dky h ASP 64 Cb 0.37 0.12 -0.05 0.00 1.72 0.00 0.00 39.33 41.49 2dky h ASP 64 CO -0.40 -0.19 0.24 0.00 -2.88 0.00 0.00 179.24 176.01 2dky h ALA 65 N 0.59 0.63 0.52 -0.78 0.00 -1.78 0.32 119.26 118.76 2dky h ALA 65 Ca 0.01 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2dky h ALA 65 Cb 0.27 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.01 2dky h ALA 65 CO -0.04 -0.12 -0.25 0.82 0.00 0.00 0.00 179.25 179.66 2dky h ILE 66 N 0.47 0.49 -0.76 0.00 1.08 -0.46 0.95 117.51 119.27 2dky h ILE 66 Ca 0.22 -0.07 0.10 0.00 -0.39 0.00 0.00 64.86 64.72 2dky h ILE 66 Cb 0.15 0.52 -0.07 0.00 -3.07 0.00 0.00 36.82 34.35 2dky h ILE 66 CO -0.17 0.01 0.41 -0.33 -0.69 0.00 0.00 178.15 177.38 2dky h GLU 67 N -0.74 0.67 0.10 2.37 4.39 -0.71 0.57 114.58 121.23 2dky h GLU 67 Ca -0.07 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 2dky h GLU 67 Cb 0.55 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2dky h GLU 67 CO 0.12 0.44 -0.05 0.00 -1.16 0.00 0.00 179.01 178.36 2dky h ALA 68 N 1.44 -0.14 -0.56 3.43 0.00 -0.76 -0.71 119.26 121.98 2dky h ALA 68 Ca 0.37 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.22 2dky h ALA 68 Cb 0.37 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 2dky h ALA 68 CO -0.26 -0.48 0.29 1.25 0.00 0.00 0.00 179.25 180.05 2dky h LEU 69 N -0.33 0.42 -0.24 0.00 5.85 -0.32 -2.54 115.31 118.15 2dky h LEU 69 Ca -0.01 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2dky h LEU 69 Cb 0.27 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2dky h LEU 69 CO 0.02 0.28 0.12 0.00 -0.34 0.00 0.00 178.44 178.53 2dky h ARG 71 N 0.27 0.00 0.04 0.00 3.08 -0.68 0.38 114.38 117.47 2dky h ARG 71 Ca 0.08 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.88 2dky h ARG 71 Cb 0.10 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 2dky h ARG 71 CO -0.01 0.00 -1.38 0.00 -1.07 0.00 0.00 179.97 177.51 2dky h ARG 72 N 0.00 0.09 0.51 0.04 -0.00 -1.39 -3.32 114.38 110.31 2dky h ARG 72 Ca 0.50 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.98 59.80 2dky h ARG 72 Cb 2.59 0.06 -0.02 0.00 0.00 0.00 0.00 29.97 32.60 2dky h ARG 72 CO -0.01 1.08 -0.42 -0.07 0.00 0.00 0.00 179.97 180.55 2dky h LEU 73 N -0.67 -1.12 -0.83 3.04 3.38 -0.01 -2.53 115.31 116.57 2dky h LEU 73 Ca -0.34 0.08 0.21 0.00 0.09 0.00 0.00 57.88 57.92 2dky h LEU 73 Cb 1.51 0.36 -0.13 0.00 0.09 0.00 0.00 40.66 42.49 2dky h LEU 73 CO -0.10 -0.60 0.18 -0.55 0.09 0.00 0.00 178.44 177.46 2dky h ASN 74 N -0.92 -0.07 -0.88 -0.43 7.08 -1.24 0.36 115.58 119.48 2dky h ASN 74 Ca -0.06 0.19 0.14 0.00 -3.08 0.00 0.00 56.30 53.49 2dky h ASN 74 Cb 0.79 0.27 -0.09 0.00 -2.08 0.00 0.00 38.32 37.20 2dky h ASN 74 CO -0.01 -0.13 0.49 0.74 -2.08 0.00 0.00 177.43 176.43 2dky h THR 75 N 0.20 0.79 0.00 6.14 2.02 -1.56 -0.20 112.91 120.30 2dky h THR 75 Ca 0.50 -0.25 -0.16 0.00 0.77 0.00 0.00 66.41 67.27 2dky h THR 75 Cb 0.94 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 2dky h THR 75 CO -0.63 0.13 -0.75 -0.07 0.37 0.00 0.00 175.52 174.57 2dky h LEU 76 N 0.72 0.00 -1.81 2.58 3.38 -0.18 -2.10 115.31 117.91 2dky h LEU 76 Ca 0.47 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.47 2dky h LEU 76 Cb 0.60 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2dky h LEU 76 CO -0.33 0.75 0.18 0.78 0.09 0.00 0.00 178.44 179.92 2dky h ASN 77 N 0.00 0.22 0.09 -0.43 -0.26 0.12 -0.35 115.58 114.97 2dky h ASN 77 Ca -0.01 -0.00 -0.36 0.00 -0.56 0.00 0.00 56.30 55.37 2dky h ASN 77 Cb 1.56 -0.05 -0.07 0.00 -1.06 0.00 0.00 38.32 38.70 2dky h ASN 77 CO 0.10 0.15 -2.27 2.29 -1.06 0.00 0.00 177.43 176.64 2dky n LYS 78 N -4.49 0.68 0.00 0.81 2.85 -0.98 -3.51 118.16 113.52 2dky n LYS 78 Ca 0.02 0.07 0.10 0.00 -1.05 0.00 0.00 58.31 57.45 2dky n LYS 78 Cb 0.16 -1.57 0.51 0.00 -0.65 0.00 0.00 35.03 33.47 2dky n LYS 78 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2dky n ALA 80 N -1.32 1.61 1.35 0.00 0.00 -0.17 -4.48 120.51 117.49 2dky n ALA 80 Ca 0.09 -0.84 0.15 0.00 0.00 0.00 0.00 53.44 52.83 2dky n ALA 80 Cb 0.18 0.15 0.73 0.00 0.00 0.00 0.00 19.45 20.51 2dky n ALA 80 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2dky n VAL 81 N -3.58 0.00 0.22 0.00 3.14 -1.22 -3.47 118.33 113.42 2dky n VAL 81 Ca -0.39 -0.00 0.02 0.00 -2.96 0.00 0.00 64.34 61.02 2dky n VAL 81 Cb 0.83 -0.49 0.12 0.00 -1.06 0.00 0.00 33.84 33.23 2dky n VAL 81 CO 0.00 0.00 0.00 1.15 -6.46 0.00 0.00 176.83 171.52 2dky n MET 82 N -1.32 0.05 -0.01 1.45 3.85 -0.49 -2.14 117.12 118.51 2dky n MET 82 Ca 0.13 0.29 -0.17 0.00 -1.00 0.00 0.00 57.70 56.94 2dky n MET 82 Cb 0.26 -1.50 -0.14 0.00 -1.05 0.00 0.00 33.22 30.79 2dky n MET 82 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 2dky h LYS 83 N 0.00 0.15 -1.22 3.17 3.11 -1.85 -3.31 116.57 116.62 2dky h LYS 83 Ca 0.00 -0.26 0.38 0.00 -2.81 0.00 0.00 60.65 57.96 2dky h LYS 83 Cb 0.06 0.10 -0.12 0.00 -1.00 0.00 0.00 32.23 31.26 2dky h LYS 83 CO 0.00 1.12 0.78 -0.07 -2.81 0.00 0.00 179.45 178.47 2dky h LEU 84 N -0.67 0.31 -6.96 5.20 3.38 -1.71 -3.39 115.31 111.47 2dky h LEU 84 Ca -0.09 0.13 0.07 0.00 0.09 0.00 0.00 57.88 58.08 2dky h LEU 84 Cb 1.35 0.10 -0.23 0.00 0.09 0.00 0.00 40.66 41.97 2dky h LEU 84 CO 0.07 -0.11 0.14 -0.70 0.09 0.00 0.00 178.44 177.93 2dky s GLU 85 N -5.37 0.55 0.05 1.13 2.56 -1.25 -5.07 118.70 111.30 2dky s GLU 85 Ca -0.08 1.02 -0.11 0.00 0.00 0.00 0.00 54.97 55.80 2dky s GLU 85 Cb 0.29 0.23 -0.03 0.00 2.00 0.00 0.00 34.13 36.61 2dky s GLU 85 CO 0.81 -0.13 1.18 0.77 -0.56 0.00 0.00 175.26 177.34 2dky h SER 86 N 6.84 -0.68 -4.40 -1.70 0.02 -1.78 -3.44 113.55 108.41 2dky h SER 86 Ca -0.27 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2dky h SER 86 Cb 1.19 0.29 0.00 0.00 0.14 0.00 0.00 62.40 64.02 2dky h SER 86 CO 0.16 -0.11 0.00 0.61 -1.14 0.00 0.00 176.83 176.35 2dky n GLY 87 N -1.11 -0.33 0.27 -3.77 0.00 -1.26 -4.73 105.19 94.26 2dky n GLY 87 Ca -0.00 -1.51 0.17 0.00 0.00 0.00 0.00 46.02 44.68 2dky n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dky h PRO 88 N 0.00 0.00 -0.93 1.61 0.13 -2.04 -3.29 132.00 127.48 2dky h PRO 88 Ca 0.00 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.24 2dky h PRO 88 Cb 0.00 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.00 2dky h PRO 88 CO 0.00 0.00 -0.49 0.66 -0.23 0.00 0.00 178.00 177.94 2dky h SER 89 N 0.00 -1.78 -2.46 1.44 4.64 -2.00 -3.40 113.55 109.99 2dky h SER 89 Ca 0.00 0.31 -0.57 0.00 -0.47 0.00 0.00 61.79 61.06 2dky h SER 89 Cb 0.48 0.84 0.20 0.00 -0.31 0.00 0.00 62.40 63.61 2dky h SER 89 CO 0.00 -0.27 -1.09 -0.24 -0.87 0.00 0.00 176.83 174.36 2dky n SER 90 N -5.36 -3.49 0.00 4.97 2.88 -1.24 -5.29 113.62 106.09 2dky n SER 90 Ca 0.05 0.48 0.00 0.00 -1.33 0.00 0.00 58.87 58.07 2dky n SER 90 Cb 0.33 -0.96 0.00 0.00 -0.75 0.00 0.00 64.21 62.83 2dky n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42