#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 4.66 -0.13 1.61 1.04 -1.26 -5.07 113.70 114.55 2dky s SER 2 Ca 0.00 -1.11 -0.18 0.00 0.48 0.00 0.00 55.95 55.14 2dky s SER 2 Cb 0.00 0.01 -0.16 0.00 0.10 0.00 0.00 66.02 65.97 2dky s SER 2 CO 0.00 -0.88 0.44 -1.28 0.98 0.00 0.00 173.24 172.50 2dky h SER 3 N 0.97 0.00 0.00 7.02 0.87 -2.12 -3.50 113.55 116.79 2dky h SER 3 Ca -0.39 -0.59 0.00 0.00 -1.23 0.00 0.00 61.79 59.57 2dky h SER 3 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 2dky h SER 3 CO 0.60 0.84 0.00 0.61 -0.53 0.00 0.00 176.83 178.36 2dky n GLY 4 N 1.66 2.25 3.65 5.77 0.00 -1.26 -5.02 105.19 112.24 2dky n GLY 4 Ca -0.08 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 44.83 2dky n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dky s SER 5 N -4.00 6.02 -0.25 1.61 0.15 -1.26 -4.98 113.70 110.98 2dky s SER 5 Ca 0.00 0.09 -0.16 0.00 0.70 0.00 0.00 55.95 56.59 2dky s SER 5 Cb 0.00 -2.08 -0.12 0.00 -1.71 0.00 0.00 66.02 62.11 2dky s SER 5 CO 0.00 0.08 -0.26 -1.54 1.20 0.00 0.00 173.24 172.72 2dky n SER 6 N 4.22 1.94 0.00 5.45 3.41 -1.26 -5.12 113.62 122.25 2dky n SER 6 Ca -0.15 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 2dky n SER 6 Cb 0.52 -0.84 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 2dky n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dky n GLY 7 N 1.31 -0.21 3.69 5.00 0.00 -1.26 -5.03 105.19 108.69 2dky n GLY 7 Ca -0.45 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.26 2dky n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2dky n MET 8 N 0.00 -6.26 -3.15 1.61 2.81 -1.26 -4.94 117.12 105.92 2dky n MET 8 Ca 0.00 0.71 -0.40 0.00 -1.81 0.00 0.00 57.70 56.20 2dky n MET 8 Cb 0.00 -5.59 -0.06 0.00 -0.71 0.00 0.00 33.22 26.86 2dky n MET 8 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2dky s ARG 10 N 1.98 0.28 -0.35 0.00 6.06 -1.26 -5.13 118.95 120.53 2dky s ARG 10 Ca 0.27 0.18 -0.24 0.00 -2.50 0.00 0.00 55.73 53.44 2dky s ARG 10 Cb -0.16 0.13 0.01 0.00 0.06 0.00 0.00 34.95 34.99 2dky s ARG 10 CO 0.10 -0.06 0.81 0.15 -2.50 0.00 0.00 175.30 173.79 2dky s LYS 11 N -0.49 3.83 0.02 5.12 1.02 -1.26 -4.95 119.74 123.04 2dky s LYS 11 Ca 0.05 0.44 0.03 0.00 0.02 0.00 0.00 55.97 56.51 2dky s LYS 11 Cb -0.03 -3.78 -0.01 0.00 -0.52 0.00 0.00 37.83 33.49 2dky s LYS 11 CO -0.08 -0.81 -0.08 0.15 -0.92 0.00 0.00 175.35 173.61 2dky s LYS 12 N 3.11 0.60 -0.05 1.68 -0.14 -1.26 -5.12 119.74 118.56 2dky s LYS 12 Ca 0.33 -0.50 -0.30 0.00 -1.36 0.00 0.00 55.97 54.14 2dky s LYS 12 Cb -0.13 -0.52 -0.05 0.00 -1.68 0.00 0.00 37.83 35.45 2dky s LYS 12 CO 0.16 0.13 1.49 -1.25 -0.76 0.00 0.00 175.35 175.11 2dky s PRO 13 N -0.81 4.23 0.31 -1.68 0.04 -1.26 -4.64 135.00 131.19 2dky s PRO 13 Ca -0.02 2.01 -0.09 0.00 0.04 0.00 0.00 61.00 62.94 2dky s PRO 13 Cb -0.06 -3.78 0.01 0.00 0.04 0.00 0.00 34.50 30.71 2dky s PRO 13 CO 0.00 -0.72 0.54 0.34 0.04 0.00 0.00 177.00 177.20 2dky s ASP 14 N 2.53 0.33 -0.67 6.66 2.15 -1.25 -4.58 116.67 121.83 2dky s ASP 14 Ca 0.66 -1.19 -0.38 0.00 0.43 0.00 0.00 52.55 52.08 2dky s ASP 14 Cb -0.31 0.67 -0.20 0.00 -0.30 0.00 0.00 42.92 42.79 2dky s ASP 14 CO 0.26 -1.32 2.29 0.35 -0.17 0.00 0.00 175.17 176.58 2dky n THR 15 N -0.49 0.00 -0.10 1.71 -2.24 -1.26 -4.75 114.28 107.15 2dky n THR 15 Ca -0.02 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.63 2dky n THR 15 Cb 0.61 -0.49 -0.10 0.00 -2.10 0.00 0.00 70.33 68.26 2dky n THR 15 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2dky n MET 16 N 7.66 0.64 0.08 -0.78 2.81 -1.26 -4.44 117.12 121.83 2dky n MET 16 Ca 0.58 0.10 -0.06 0.00 -1.81 0.00 0.00 57.70 56.50 2dky n MET 16 Cb -0.01 -1.40 -0.04 0.00 -0.71 0.00 0.00 33.22 31.06 2dky n MET 16 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 2dky h ILE 17 N 0.00 0.20 -0.84 2.02 5.03 -2.01 -3.25 117.51 118.66 2dky h ILE 17 Ca -0.45 -0.87 0.08 0.00 -0.12 0.00 0.00 64.86 63.49 2dky h ILE 17 Cb 1.74 0.34 -0.10 0.00 -3.03 0.00 0.00 36.82 35.78 2dky h ILE 17 CO -0.06 0.06 -0.49 -0.11 -0.68 0.00 0.00 178.15 176.87 2dky n LEU 18 N -4.97 -0.89 -0.27 1.44 0.00 -1.26 -0.31 117.00 110.73 2dky n LEU 18 Ca -0.05 1.59 -0.03 0.00 0.00 0.00 0.00 56.01 57.53 2dky n LEU 18 Cb 0.16 -0.24 0.03 0.00 0.00 0.00 0.00 43.42 43.37 2dky n LEU 18 CO 0.13 -1.27 0.63 0.74 0.00 0.00 0.00 177.39 177.62 2dky h THR 19 N 0.00 0.12 -0.82 1.96 2.02 -1.78 -0.37 112.91 114.04 2dky h THR 19 Ca 0.13 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.44 2dky h THR 19 Cb 0.34 0.12 -0.13 0.00 -1.74 0.00 0.00 68.15 66.74 2dky h THR 19 CO -0.79 0.00 -0.32 1.67 0.37 0.00 0.00 175.52 176.45 2dky n GLN 20 N -5.46 -0.19 0.15 6.66 7.27 0.57 -0.84 117.38 125.54 2dky n GLN 20 Ca 0.07 1.25 -0.11 0.00 0.07 0.00 0.00 57.00 58.29 2dky n GLN 20 Cb 0.38 -1.86 -0.06 0.00 2.41 0.00 0.00 30.24 31.11 2dky n GLN 20 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 2dky h ILE 21 N 0.00 0.00 -0.79 1.69 5.03 -1.00 0.18 117.51 122.62 2dky h ILE 21 Ca 0.28 0.00 0.22 0.00 -0.12 0.00 0.00 64.86 65.24 2dky h ILE 21 Cb 0.48 0.00 -0.15 0.00 -3.03 0.00 0.00 36.82 34.13 2dky h ILE 21 CO -0.81 0.00 0.03 -0.62 -0.68 0.00 0.00 178.15 176.07 2dky n GLU 22 N -4.26 -0.06 0.12 2.37 4.71 -0.02 -0.19 120.64 123.31 2dky n GLU 22 Ca -0.07 1.18 -0.11 0.00 -0.01 0.00 0.00 57.16 58.16 2dky n GLU 22 Cb 0.28 -1.88 -0.07 0.00 -1.01 0.00 0.00 31.44 28.75 2dky n GLU 22 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2dky h ALA 23 N 1.58 -0.36 -0.65 0.62 0.00 -0.87 -3.27 119.26 116.30 2dky h ALA 23 Ca 0.49 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.30 2dky h ALA 23 Cb 1.02 0.14 -0.11 0.00 0.00 0.00 0.00 17.79 18.84 2dky h ALA 23 CO -0.74 -0.42 -0.47 -0.22 0.00 0.00 0.00 179.25 177.40 2dky h LYS 24 N -0.94 -0.20 -0.98 0.00 3.64 0.25 0.16 116.57 118.51 2dky h LYS 24 Ca -0.04 0.01 0.23 0.00 -1.27 0.00 0.00 60.65 59.59 2dky h LYS 24 Cb 0.50 0.04 -0.18 0.00 -0.41 0.00 0.00 32.23 32.18 2dky h LYS 24 CO 0.06 -0.13 -0.11 0.93 -2.27 0.00 0.00 179.45 177.93 2dky h GLU 25 N -0.20 0.01 -0.29 1.90 4.39 -0.99 0.82 114.58 120.21 2dky h GLU 25 Ca 0.17 -0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.71 2dky h GLU 25 Cb 0.55 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 2dky h GLU 25 CO -0.74 0.00 -0.46 0.00 -1.16 0.00 0.00 179.01 176.65 2dky h ALA 26 N 1.97 0.63 -0.53 3.43 0.00 -0.87 -3.17 119.26 120.73 2dky h ALA 26 Ca 0.53 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2dky h ALA 26 Cb 0.95 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2dky h ALA 26 CO -0.96 0.67 0.34 0.00 0.00 0.00 0.00 179.25 179.31 2dky h ASP 28 N 0.72 0.25 0.18 0.00 1.82 -0.57 -2.83 116.42 115.98 2dky h ASP 28 Ca 0.19 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.83 2dky h ASP 28 Cb -0.06 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 39.90 2dky h ASP 28 CO -0.04 0.16 -0.08 -0.25 -1.61 0.00 0.00 179.24 177.41 2dky h TRP 29 N 0.28 -0.22 -0.80 0.28 7.01 -1.33 -0.01 115.95 121.16 2dky h TRP 29 Ca 0.20 -0.01 0.33 0.00 2.11 0.00 0.00 58.89 61.53 2dky h TRP 29 Cb 0.42 0.07 -0.14 0.00 -2.10 0.00 0.00 29.16 27.42 2dky h TRP 29 CO -0.00 -0.14 0.44 1.28 -2.79 0.00 0.00 178.44 177.23 2dky n LEU 30 N -4.45 0.27 0.01 0.65 4.77 -0.56 0.23 117.00 117.92 2dky n LEU 30 Ca -0.03 1.30 -0.13 0.00 -0.03 0.00 0.00 56.01 57.13 2dky n LEU 30 Cb 0.09 -0.64 -0.14 0.00 -2.33 0.00 0.00 43.42 40.41 2dky n LEU 30 CO 0.07 -1.46 -0.48 -0.09 -1.33 0.00 0.00 177.39 174.11 2dky h ARG 31 N 0.00 0.10 -0.43 3.23 2.43 -1.55 0.20 114.38 118.36 2dky h ARG 31 Ca 0.67 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.67 2dky h ARG 31 Cb 1.79 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 31.41 2dky h ARG 31 CO -0.60 0.80 0.00 0.00 -1.51 0.00 0.00 179.97 178.67 2dky n ALA 32 N -2.64 2.53 -0.04 2.80 0.00 0.64 -3.95 120.51 119.85 2dky n ALA 32 Ca -0.18 -0.70 -0.05 0.00 0.00 0.00 0.00 53.44 52.51 2dky n ALA 32 Cb 1.04 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 19.47 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 0.57 0.42 0.00 0.00 5.66 0.63 -4.93 114.28 116.64 2dky n THR 33 Ca 0.13 -0.18 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 2dky n THR 33 Cb 0.37 -0.78 0.00 0.00 -1.55 0.00 0.00 70.33 68.37 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 3.04 0.42 3.12 1.09 0.00 -1.20 -5.07 105.19 106.60 2dky n GLY 34 Ca -0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 2dky n GLY 34 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2dky n PHE 35 N 0.00 4.32 0.43 1.61 3.72 0.69 -4.86 117.46 123.37 2dky n PHE 35 Ca 0.00 -3.96 0.10 0.00 -0.05 0.00 0.00 57.45 53.53 2dky n PHE 35 Cb 0.00 -1.26 0.41 0.00 -0.94 0.00 0.00 39.48 37.69 2dky n PHE 35 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2dky n PRO 36 N 2.24 0.11 0.05 -1.08 -0.04 -1.13 -2.44 135.00 132.71 2dky n PRO 36 Ca 0.23 0.35 -0.06 0.00 -0.04 0.00 0.00 63.50 63.98 2dky n PRO 36 Cb 0.37 -1.70 -0.11 0.00 -0.04 0.00 0.00 33.50 32.02 2dky n PRO 36 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 2dky h GLN 37 N 0.00 0.00 0.00 0.54 -0.00 -1.89 -3.21 115.11 110.56 2dky h GLN 37 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 58.57 2dky h GLN 37 Cb 0.30 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.77 2dky h GLN 37 CO 0.00 0.85 -0.38 1.88 -0.00 0.00 0.00 178.83 181.18 2dky h TYR 38 N 0.00 0.00 0.00 0.06 0.05 -1.79 -2.51 116.97 112.78 2dky h TYR 38 Ca -0.06 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.72 2dky h TYR 38 Cb 1.78 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.52 2dky h TYR 38 CO 0.00 0.38 -0.25 0.00 -1.05 0.00 0.00 178.16 177.25 2dky h ALA 39 N 1.62 0.86 0.08 3.88 0.00 -1.62 -3.30 119.26 120.78 2dky h ALA 39 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.59 2dky h ALA 39 Cb 0.95 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2dky h ALA 39 CO 0.05 0.00 -1.70 0.37 0.00 0.00 0.00 179.25 177.97 2dky h GLN 40 N 0.00 0.17 -0.65 0.00 4.15 -1.50 -3.23 115.11 114.04 2dky h GLN 40 Ca 0.00 -0.28 0.05 0.00 0.77 0.00 0.00 58.65 59.19 2dky h GLN 40 Cb 0.91 0.11 -0.05 0.00 0.21 0.00 0.00 27.48 28.65 2dky h GLN 40 CO 0.00 0.94 0.36 -0.07 -1.93 0.00 0.00 178.83 178.13 2dky h LEU 41 N 0.05 0.54 -0.80 -2.39 3.38 -1.54 -1.37 115.31 113.18 2dky h LEU 41 Ca -0.30 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.57 2dky h LEU 41 Cb 2.01 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.67 2dky h LEU 41 CO 0.11 0.35 -0.59 0.22 0.09 0.00 0.00 178.44 178.63 2dky h TYR 42 N 0.67 0.00 -0.07 1.13 5.03 -1.71 -1.11 116.97 120.91 2dky h TYR 42 Ca 0.29 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.52 2dky h TYR 42 Cb 0.17 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.44 2dky h TYR 42 CO -0.08 0.59 -0.29 0.93 -1.32 0.00 0.00 178.16 177.99 2dky h GLU 43 N 0.00 0.12 -0.01 1.82 4.39 -1.30 -1.86 114.58 117.74 2dky h GLU 43 Ca -0.01 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2dky h GLU 43 Cb 1.06 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 2dky h GLU 43 CO 0.08 0.41 0.00 -3.47 -1.16 0.00 0.00 179.01 174.86 2dky n ASP 44 N -4.16 1.26 -1.92 1.42 2.03 -0.71 -4.92 116.55 109.55 2dky n ASP 44 Ca -0.02 -1.42 -0.11 0.00 0.52 0.00 0.00 54.79 53.76 2dky n ASP 44 Cb 0.36 -0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.80 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 -0.01 -1.31 -0.01 -0.67 3.72 -0.70 -4.95 117.46 113.53 2dky n PHE 45 Ca 0.20 0.46 -0.11 0.00 -0.05 0.00 0.00 57.45 57.95 2dky n PHE 45 Cb 0.31 -2.86 -0.14 0.00 -0.94 0.00 0.00 39.48 35.85 2dky n PHE 45 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2dky h LEU 46 N -1.22 0.09 -9.87 4.37 3.38 -1.41 -3.48 115.31 107.17 2dky h LEU 46 Ca -0.26 -0.20 -0.52 0.00 0.09 0.00 0.00 57.88 56.99 2dky h LEU 46 Cb 1.17 -0.03 0.21 0.00 0.09 0.00 0.00 40.66 42.10 2dky h LEU 46 CO 0.25 1.18 -0.46 0.49 0.09 0.00 0.00 178.44 180.00 2dky n PHE 47 N -3.15 -1.04 -1.17 1.13 3.01 -1.25 -4.69 117.46 110.30 2dky n PHE 47 Ca -0.19 0.25 -0.29 0.00 1.01 0.00 0.00 57.45 58.22 2dky n PHE 47 Cb 1.05 -1.80 0.17 0.00 -0.01 0.00 0.00 39.48 38.88 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 -3.82 0.56 0.39 -1.08 0.04 -1.26 -4.72 135.00 125.12 2dky s PRO 48 Ca 0.59 0.57 0.08 0.00 0.04 0.00 0.00 61.00 62.28 2dky s PRO 48 Cb -0.21 -1.75 -0.07 0.00 0.04 0.00 0.00 34.50 32.51 2dky s PRO 48 CO 0.66 -2.66 0.00 0.96 0.04 0.00 0.00 177.00 176.01 2dky s ILE 49 N -2.96 2.11 -1.11 0.56 -4.36 -1.26 -5.04 121.20 109.14 2dky s ILE 49 Ca 0.65 -2.01 -0.22 0.00 -0.26 0.00 0.00 60.65 58.81 2dky s ILE 49 Cb -0.18 -2.92 0.03 0.00 1.25 0.00 0.00 42.46 40.64 2dky s ILE 49 CO 0.57 -0.05 1.66 -1.81 0.24 0.00 0.00 174.94 175.55 2dky s ASP 50 N -3.71 6.28 0.16 4.36 1.01 -1.26 -4.84 116.67 118.67 2dky s ASP 50 Ca 0.35 -1.70 -0.26 0.00 0.71 0.00 0.00 52.55 51.66 2dky s ASP 50 Cb 0.07 -2.57 0.02 0.00 1.01 0.00 0.00 42.92 41.45 2dky s ASP 50 CO 0.18 -1.72 1.58 0.40 0.21 0.00 0.00 175.17 175.81 2dky h ILE 51 N 6.39 0.13 -1.02 0.77 1.08 -1.97 0.16 117.51 123.05 2dky h ILE 51 Ca 0.27 0.00 0.27 0.00 -0.39 0.00 0.00 64.86 65.01 2dky h ILE 51 Cb 0.96 0.13 -0.12 0.00 -3.07 0.00 0.00 36.82 34.71 2dky h ILE 51 CO 1.39 0.00 0.61 0.28 -0.69 0.00 0.00 178.15 179.74 2dky h SER 52 N -0.29 0.60 -0.25 1.72 0.02 -2.02 0.12 113.55 113.45 2dky h SER 52 Ca 0.16 0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.23 2dky h SER 52 Cb 0.57 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 2dky h SER 52 CO -0.60 0.05 0.12 0.25 -1.14 0.00 0.00 176.83 175.51 2dky h LEU 53 N 0.49 0.34 -1.91 5.07 7.12 -1.09 -2.32 115.31 123.01 2dky h LEU 53 Ca 0.66 -0.14 0.30 0.00 0.13 0.00 0.00 57.88 58.83 2dky h LEU 53 Cb 1.39 -0.09 -0.04 0.00 -0.53 0.00 0.00 40.66 41.40 2dky h LEU 53 CO -0.47 0.38 0.82 0.58 -0.13 0.00 0.00 178.44 179.62 2dky h VAL 54 N 0.27 0.36 0.04 1.05 2.07 -0.09 0.14 116.25 120.10 2dky h VAL 54 Ca 0.09 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.52 2dky h VAL 54 Cb 0.14 0.41 0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2dky h VAL 54 CO -0.01 0.00 -0.36 0.11 0.02 0.00 0.00 177.57 177.33 2dky h LYS 55 N 0.00 0.16 -0.79 1.57 1.57 -1.31 -2.80 116.57 114.97 2dky h LYS 55 Ca 0.49 -0.23 0.05 0.00 -1.87 0.00 0.00 60.65 59.09 2dky h LYS 55 Cb 2.12 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 34.46 2dky h LYS 55 CO -0.01 1.06 0.49 0.00 -0.57 0.00 0.00 179.45 180.42 2dky h ARG 56 N -0.62 0.88 0.11 3.15 3.08 -0.56 -0.22 114.38 120.21 2dky h ARG 56 Ca -0.06 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 2dky h ARG 56 Cb 1.22 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.07 2dky h ARG 56 CO 0.07 0.59 -0.05 0.93 -1.07 0.00 0.00 179.97 180.43 2dky h GLU 57 N 0.91 -0.14 -2.04 0.04 4.39 -1.25 -3.21 114.58 113.28 2dky h GLU 57 Ca 0.33 0.01 -0.77 0.00 0.34 0.00 0.00 59.36 59.28 2dky h GLU 57 Cb 0.11 0.03 -0.28 0.00 -0.10 0.00 0.00 28.75 28.51 2dky h GLU 57 CO -0.15 0.11 0.92 0.72 -1.16 0.00 0.00 179.01 179.45 2dky n HIS 58 N -5.05 2.98 0.26 4.33 8.25 -1.05 -4.66 115.22 120.28 2dky n HIS 58 Ca -0.08 -2.46 0.15 0.00 -0.26 0.00 0.00 57.72 55.07 2dky n HIS 58 Cb 0.17 -1.11 0.62 0.00 1.12 0.00 0.00 29.99 30.80 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 3.27 0.00 -0.44 0.41 2.03 -1.05 -2.92 116.42 117.72 2dky h ASP 59 Ca 0.54 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.78 2dky h ASP 59 Cb 0.16 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.63 2dky h ASP 59 CO 1.33 0.07 0.09 2.19 -1.03 0.00 0.00 179.24 181.89 2dky h PHE 60 N 0.00 0.82 -2.44 4.15 -5.15 -1.85 -3.44 116.94 109.02 2dky h PHE 60 Ca -0.00 -0.08 -0.49 0.00 -0.20 0.00 0.00 57.97 57.20 2dky h PHE 60 Cb 0.57 -0.24 0.23 0.00 0.22 0.00 0.00 35.95 36.74 2dky h PHE 60 CO 0.00 0.71 -1.21 1.28 -2.00 0.00 0.00 178.31 177.09 2dky n LEU 61 N -4.26 -2.11 -4.90 2.10 4.77 -1.10 -4.97 117.00 106.53 2dky n LEU 61 Ca 0.03 0.05 -0.29 0.00 -0.03 0.00 0.00 56.01 55.77 2dky n LEU 61 Cb 0.24 -0.96 -0.03 0.00 -2.33 0.00 0.00 43.42 40.35 2dky n LEU 61 CO 0.40 -3.42 0.29 -1.81 -1.33 0.00 0.00 177.39 171.52 2dky s ASP 62 N -1.72 6.46 0.12 -1.43 1.01 -1.26 -4.86 116.67 115.00 2dky s ASP 62 Ca 0.52 0.85 -0.26 0.00 0.71 0.00 0.00 52.55 54.37 2dky s ASP 62 Cb -0.12 -2.20 -0.07 0.00 1.01 0.00 0.00 42.92 41.54 2dky s ASP 62 CO 0.68 -0.28 1.45 -0.09 0.21 0.00 0.00 175.17 177.14 2dky h ARG 63 N 1.46 -0.11 -0.95 8.23 2.43 -1.95 0.45 114.38 123.95 2dky h ARG 63 Ca -0.48 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 58.82 2dky h ARG 63 Cb 1.19 0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 30.69 2dky h ARG 63 CO 0.65 -0.07 0.60 0.22 -1.51 0.00 0.00 179.97 179.86 2dky h ASP 64 N -0.12 0.83 -0.44 -3.80 3.58 -2.00 -1.34 116.42 113.14 2dky h ASP 64 Ca 0.11 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.58 2dky h ASP 64 Cb 0.39 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.30 2dky h ASP 64 CO -0.68 0.45 0.23 0.00 -2.88 0.00 0.00 179.24 176.35 2dky h ALA 65 N 1.56 0.57 0.36 -0.78 0.00 -0.68 -2.00 119.26 118.28 2dky h ALA 65 Ca 0.47 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 2dky h ALA 65 Cb 0.53 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2dky h ALA 65 CO -0.23 0.11 -0.17 0.82 0.00 0.00 0.00 179.25 179.78 2dky h ILE 66 N 0.57 0.66 -0.22 0.00 1.08 0.60 -1.82 117.51 118.37 2dky h ILE 66 Ca 0.15 -0.14 0.06 0.00 -0.39 0.00 0.00 64.86 64.54 2dky h ILE 66 Cb 0.09 0.74 -0.07 0.00 -3.07 0.00 0.00 36.82 34.50 2dky h ILE 66 CO -0.02 0.03 -0.30 -0.33 -0.69 0.00 0.00 178.15 176.83 2dky h GLU 67 N -0.56 -0.31 -0.79 2.37 3.07 -1.28 -0.57 114.58 116.51 2dky h GLU 67 Ca -0.05 0.02 0.12 0.00 -0.50 0.00 0.00 59.36 58.95 2dky h GLU 67 Cb 0.42 0.07 -0.08 0.00 -0.84 0.00 0.00 28.75 28.32 2dky h GLU 67 CO 0.08 -0.21 0.40 0.00 -1.40 0.00 0.00 179.01 177.88 2dky h ALA 68 N 0.59 1.14 -0.62 3.43 0.00 -1.32 0.25 119.26 122.73 2dky h ALA 68 Ca 0.12 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2dky h ALA 68 Cb 0.52 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2dky h ALA 68 CO -0.41 -0.06 0.33 1.25 0.00 0.00 0.00 179.25 180.36 2dky h LEU 69 N 0.62 0.76 -0.42 0.00 5.85 -0.32 -2.39 115.31 119.42 2dky h LEU 69 Ca 0.41 -0.06 -0.18 0.00 0.84 0.00 0.00 57.88 58.89 2dky h LEU 69 Cb 0.51 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 2dky h LEU 69 CO -0.32 0.63 -0.66 0.00 -0.34 0.00 0.00 178.44 177.75 2dky h ARG 71 N 0.39 0.00 0.00 0.00 2.47 -0.48 0.16 114.38 116.91 2dky h ARG 71 Ca -0.02 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.53 2dky h ARG 71 Cb 1.23 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.52 2dky h ARG 71 CO 0.12 0.00 -1.38 0.54 0.56 0.00 0.00 179.97 179.81 2dky n ARG 72 N -3.25 0.54 -0.08 0.04 3.00 -1.17 -4.17 116.66 111.57 2dky n ARG 72 Ca 0.17 0.37 -0.08 0.00 -0.01 0.00 0.00 57.85 58.30 2dky n ARG 72 Cb 1.27 -1.57 -0.01 0.00 0.00 0.00 0.00 32.46 32.15 2dky n ARG 72 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2dky h LEU 73 N -1.00 -0.89 -0.72 0.55 3.38 -1.06 -1.26 115.31 114.30 2dky h LEU 73 Ca -0.27 0.16 0.15 0.00 0.09 0.00 0.00 57.88 58.01 2dky h LEU 73 Cb 1.13 0.42 -0.13 0.00 0.09 0.00 0.00 40.66 42.16 2dky h LEU 73 CO -0.16 -0.30 -0.11 -0.55 0.09 0.00 0.00 178.44 177.41 2dky h ASN 74 N -0.25 -0.55 0.75 -0.43 7.08 -1.02 0.18 115.58 121.34 2dky h ASN 74 Ca 0.15 0.21 -0.03 0.00 -3.08 0.00 0.00 56.30 53.55 2dky h ASN 74 Cb 0.49 0.41 -0.00 0.00 -2.08 0.00 0.00 38.32 37.14 2dky h ASN 74 CO -0.45 -0.22 -0.45 0.74 -2.08 0.00 0.00 177.43 174.97 2dky h THR 75 N 0.03 0.00 -0.68 6.14 2.02 -1.42 -2.73 112.91 116.27 2dky h THR 75 Ca 0.37 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.69 2dky h THR 75 Cb 0.59 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.90 2dky h THR 75 CO -0.71 0.00 0.11 -0.07 0.37 0.00 0.00 175.52 175.22 2dky h LEU 76 N -1.12 -0.10 -0.59 2.58 3.38 -0.61 0.56 115.31 119.40 2dky h LEU 76 Ca -0.10 0.15 0.11 0.00 0.09 0.00 0.00 57.88 58.13 2dky h LEU 76 Cb 0.90 0.22 -0.12 0.00 0.09 0.00 0.00 40.66 41.75 2dky h LEU 76 CO 0.11 -0.06 -0.24 0.78 0.09 0.00 0.00 178.44 179.12 2dky h ASN 77 N 0.21 -0.83 0.94 -0.43 2.35 -0.50 1.47 115.58 118.79 2dky h ASN 77 Ca 0.37 0.20 0.00 0.00 -0.55 0.00 0.00 56.30 56.33 2dky h ASN 77 Cb 0.62 0.47 0.00 0.00 0.05 0.00 0.00 38.32 39.45 2dky h ASN 77 CO -0.51 -0.26 -0.18 2.29 -1.65 0.00 0.00 177.43 177.12 2dky n LYS 78 N -5.44 0.07 0.05 0.81 2.85 -0.44 -2.97 118.16 113.10 2dky n LYS 78 Ca 0.06 0.04 0.11 0.00 -1.05 0.00 0.00 58.31 57.47 2dky n LYS 78 Cb 0.34 -1.57 0.02 0.00 -0.65 0.00 0.00 35.03 33.18 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 -1.98 1.26 0.08 0.00 0.00 0.46 -4.26 120.51 116.07 2dky n ALA 80 Ca 0.01 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.62 2dky n ALA 80 Cb 0.49 -0.58 -0.04 0.00 0.00 0.00 0.00 19.45 19.31 2dky n ALA 80 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2dky h VAL 81 N 0.03 0.77 -1.12 0.00 3.04 -1.70 -3.33 116.25 113.94 2dky h VAL 81 Ca -0.42 -2.22 0.32 0.00 -1.01 0.00 0.00 66.70 63.38 2dky h VAL 81 Cb 2.04 2.28 -0.04 0.00 -2.01 0.00 0.00 31.29 33.56 2dky h VAL 81 CO 0.05 0.44 1.24 1.15 -1.01 0.00 0.00 177.57 179.44 2dky n MET 82 N -3.08 0.01 -0.26 4.17 0.00 -1.12 -0.23 117.12 116.61 2dky n MET 82 Ca -0.04 1.02 0.05 0.00 0.00 0.00 0.00 57.70 58.74 2dky n MET 82 Cb 0.80 -2.53 0.16 0.00 0.00 0.00 0.00 33.22 31.66 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 0.12 0.00 3.17 1.63 -1.84 -0.83 116.57 118.82 2dky h LYS 83 Ca 0.53 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.32 2dky h LYS 83 Cb 3.01 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 34.61 2dky h LYS 83 CO -0.01 0.08 -0.05 -0.07 -3.45 0.00 0.00 179.45 175.95 2dky h LEU 84 N 0.12 0.00 0.00 5.20 -0.00 -0.93 -3.40 115.31 116.30 2dky h LEU 84 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.29 2dky h LEU 84 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.39 2dky h LEU 84 CO -0.65 0.41 0.00 -0.62 -0.00 0.00 0.00 178.44 177.58 2dky n GLU 85 N -4.11 0.00 -0.82 1.13 1.02 -1.16 -4.48 120.64 112.22 2dky n GLU 85 Ca -0.01 0.73 -0.33 0.00 -0.02 0.00 0.00 57.16 57.54 2dky n GLU 85 Cb 0.03 -1.15 0.14 0.00 -0.02 0.00 0.00 31.44 30.44 2dky n GLU 85 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2dky n SER 86 N -2.41 -0.76 0.00 1.62 7.64 -0.33 -4.87 113.62 114.51 2dky n SER 86 Ca 0.00 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.29 2dky n SER 86 Cb 0.00 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 61.86 2dky n SER 86 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dky n GLY 87 N 0.94 -2.14 0.26 0.23 0.00 -1.26 -4.80 105.19 98.42 2dky n GLY 87 Ca 0.10 0.80 -0.12 0.00 0.00 0.00 0.00 46.02 46.80 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 0.87 -5.72 1.61 0.13 -1.88 -3.34 132.00 123.66 2dky h PRO 88 Ca 0.00 -0.46 -0.61 0.00 -0.87 0.00 0.00 66.00 64.06 2dky h PRO 88 Cb 0.00 0.02 -0.13 0.00 0.13 0.00 0.00 31.00 31.02 2dky h PRO 88 CO 0.00 1.10 0.57 -1.12 -0.23 0.00 0.00 178.00 178.32 2dky s SER 89 N -6.85 6.27 -0.48 1.44 0.01 -1.26 -5.00 113.70 107.83 2dky s SER 89 Ca -0.10 -0.59 -0.22 0.00 1.31 0.00 0.00 55.95 56.34 2dky s SER 89 Cb 0.11 -2.43 0.03 0.00 0.21 0.00 0.00 66.02 63.94 2dky s SER 89 CO 0.87 -1.32 0.78 -0.55 0.41 0.00 0.00 173.24 173.43 2dky s SER 90 N 3.17 6.36 0.00 2.44 0.15 -1.26 -4.85 113.70 119.70 2dky s SER 90 Ca 0.27 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.62 2dky s SER 90 Cb -0.14 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 2dky s SER 90 CO 0.16 -0.96 0.00 0.61 1.20 0.00 0.00 173.24 174.24