#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 0.05 -4.56 1.61 2.88 -1.26 -4.94 113.62 107.41 2dky n SER 2 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 2dky n SER 2 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 2dky n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dky s SER 3 N -4.98 6.05 -0.65 -3.46 0.15 -1.26 -4.86 113.70 104.69 2dky s SER 3 Ca 0.00 -1.00 0.05 0.00 0.70 0.00 0.00 55.95 55.70 2dky s SER 3 Cb 0.00 -2.56 0.29 0.00 -1.71 0.00 0.00 66.02 62.04 2dky s SER 3 CO 0.00 -1.90 0.90 0.61 1.20 0.00 0.00 173.24 174.04 2dky n GLY 4 N 6.57 5.21 3.82 9.45 0.00 -1.26 -5.06 105.19 123.92 2dky n GLY 4 Ca 0.29 -2.77 -0.36 0.00 0.00 0.00 0.00 46.02 43.18 2dky n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dky s SER 5 N -2.82 6.32 0.24 1.61 0.01 -1.26 -5.09 113.70 112.70 2dky s SER 5 Ca 0.43 0.38 -0.13 0.00 1.31 0.00 0.00 55.95 57.94 2dky s SER 5 Cb 0.20 -2.08 -0.00 0.00 0.21 0.00 0.00 66.02 64.35 2dky s SER 5 CO -0.06 0.32 0.47 -0.44 0.41 0.00 0.00 173.24 173.94 2dky s SER 6 N -0.49 -0.10 0.00 2.44 0.01 -1.26 -5.13 113.70 109.17 2dky s SER 6 Ca 0.12 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 56.50 2dky s SER 6 Cb -0.12 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.69 2dky s SER 6 CO 0.02 -1.12 0.00 0.61 0.41 0.00 0.00 173.24 173.16 2dky n GLY 7 N -0.37 -0.41 3.54 3.44 0.00 -1.26 -5.08 105.19 105.05 2dky n GLY 7 Ca -0.03 0.49 -0.42 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 3.69 -0.07 1.61 -1.94 -1.26 -4.93 119.30 116.40 2dky s MET 8 Ca 0.00 -1.49 -0.02 0.00 -1.71 0.00 0.00 55.69 52.47 2dky s MET 8 Cb 0.00 -5.28 0.03 0.00 2.01 0.00 0.00 34.83 31.59 2dky s MET 8 CO 0.00 -2.10 0.04 0.00 -0.01 0.00 0.00 175.02 172.94 2dky s ARG 10 N 2.07 2.87 -0.01 0.00 0.52 -1.26 -5.12 118.95 118.01 2dky s ARG 10 Ca 0.05 -0.80 0.01 0.00 -0.52 0.00 0.00 55.73 54.46 2dky s ARG 10 Cb -0.13 -2.28 0.01 0.00 0.52 0.00 0.00 34.95 33.08 2dky s ARG 10 CO -0.05 0.04 -0.02 0.15 0.02 0.00 0.00 175.30 175.45 2dky s LYS 11 N 0.69 0.28 -0.65 3.54 -0.14 -1.26 -5.09 119.74 117.11 2dky s LYS 11 Ca -0.11 -0.03 0.05 0.00 -1.36 0.00 0.00 55.97 54.52 2dky s LYS 11 Cb -0.16 -0.35 0.18 0.00 -1.68 0.00 0.00 37.83 35.82 2dky s LYS 11 CO 0.02 -0.02 0.50 1.17 -0.76 0.00 0.00 175.35 176.25 2dky n LYS 12 N 3.51 1.63 0.00 1.68 4.81 -1.26 -5.05 118.16 123.48 2dky n LYS 12 Ca -0.19 -4.28 0.00 0.00 -0.87 0.00 0.00 58.31 52.97 2dky n LYS 12 Cb 0.55 -2.16 0.00 0.00 0.02 0.00 0.00 35.03 33.44 2dky n LYS 12 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2dky n PRO 13 N 1.96 0.11 0.05 1.64 -0.04 -1.26 -4.97 135.00 132.50 2dky n PRO 13 Ca 0.23 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.56 2dky n PRO 13 Cb 0.38 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.75 2dky n PRO 13 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2dky h ASP 14 N -0.45 -0.10 -3.69 3.54 2.03 -1.86 -3.40 116.42 112.49 2dky h ASP 14 Ca 0.00 -0.28 -0.66 0.00 -0.73 0.00 0.00 57.03 55.37 2dky h ASP 14 Cb 0.00 0.03 -0.40 0.00 -0.83 0.00 0.00 39.33 38.13 2dky h ASP 14 CO 0.00 0.23 -0.73 0.42 -1.03 0.00 0.00 179.24 178.13 2dky s THR 15 N -4.87 2.25 0.12 1.15 -4.23 -1.26 -4.92 115.64 103.87 2dky s THR 15 Ca -0.15 -2.29 0.00 0.00 -1.18 0.00 0.00 61.69 58.07 2dky s THR 15 Cb 0.03 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 71.22 2dky s THR 15 CO 0.64 -0.57 0.00 0.80 -0.54 0.00 0.00 174.62 174.95 2dky n MET 16 N 4.27 0.00 -0.33 3.99 1.56 -1.26 -4.76 117.12 120.59 2dky n MET 16 Ca 0.03 0.00 0.32 0.00 -0.27 0.00 0.00 57.70 57.78 2dky n MET 16 Cb 0.42 -0.35 0.59 0.00 2.15 0.00 0.00 33.22 36.04 2dky n MET 16 CO 0.00 0.00 0.00 0.82 -0.73 0.00 0.00 175.97 176.06 2dky h ILE 17 N 0.00 0.01 0.02 1.12 1.08 -1.94 -0.74 117.51 117.06 2dky h ILE 17 Ca 0.00 -0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2dky h ILE 17 Cb 0.00 -0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.74 2dky h ILE 17 CO 0.00 0.00 -0.11 0.25 -0.69 0.00 0.00 178.15 177.60 2dky h LEU 18 N 0.01 -0.33 -1.89 1.44 6.46 -1.97 0.15 115.31 119.19 2dky h LEU 18 Ca 0.85 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 58.64 2dky h LEU 18 Cb 2.27 0.12 0.00 0.00 -0.73 0.00 0.00 40.66 42.32 2dky h LEU 18 CO -0.75 -0.11 0.29 0.71 -0.62 0.00 0.00 178.44 177.96 2dky h THR 19 N -0.15 0.00 0.01 1.05 1.35 -1.45 -0.85 112.91 112.86 2dky h THR 19 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.84 2dky h THR 19 Cb 0.15 0.63 0.00 0.00 -1.73 0.00 0.00 68.15 67.20 2dky h THR 19 CO -0.06 0.00 -0.07 -0.61 -0.25 0.00 0.00 175.52 174.52 2dky h GLN 20 N 0.00 0.04 0.52 4.72 5.75 -0.44 -3.25 115.11 122.44 2dky h GLN 20 Ca 0.00 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 2dky h GLN 20 Cb 0.57 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.12 2dky h GLN 20 CO 0.00 0.91 -0.43 0.82 -2.65 0.00 0.00 178.83 177.47 2dky h ILE 21 N -0.81 0.13 -1.43 2.39 2.04 0.67 -1.51 117.51 118.99 2dky h ILE 21 Ca -0.01 0.00 0.42 0.00 1.00 0.00 0.00 64.86 66.26 2dky h ILE 21 Cb 0.94 0.13 -0.06 0.00 -0.74 0.00 0.00 36.82 37.09 2dky h ILE 21 CO 0.01 0.00 1.03 -0.33 0.00 0.00 0.00 178.15 178.86 2dky h GLU 22 N -0.94 0.01 0.43 2.37 5.08 -1.66 -0.14 114.58 119.73 2dky h GLU 22 Ca -0.06 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2dky h GLU 22 Cb 0.81 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 2dky h GLU 22 CO -0.02 0.01 -0.21 0.00 -1.00 0.00 0.00 179.01 177.79 2dky h ALA 23 N 1.29 -0.57 -0.93 3.43 0.00 -1.32 -3.26 119.26 117.90 2dky h ALA 23 Ca 0.69 -0.17 0.25 0.00 0.00 0.00 0.00 54.91 55.68 2dky h ALA 23 Cb 2.73 0.22 -0.17 0.00 0.00 0.00 0.00 17.79 20.57 2dky h ALA 23 CO -0.02 -0.57 0.09 -0.22 0.00 0.00 0.00 179.25 178.53 2dky h LYS 24 N -1.07 0.07 -0.43 0.00 3.11 -0.60 0.11 116.57 117.74 2dky h LYS 24 Ca -0.06 -0.00 0.08 0.00 -2.81 0.00 0.00 60.65 57.86 2dky h LYS 24 Cb 0.52 -0.01 -0.09 0.00 -1.00 0.00 0.00 32.23 31.64 2dky h LYS 24 CO 0.10 0.04 -0.39 0.93 -2.81 0.00 0.00 179.45 177.32 2dky h GLU 25 N 0.07 -0.27 0.74 1.90 5.08 -1.53 0.12 114.58 120.69 2dky h GLU 25 Ca 0.57 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.91 2dky h GLU 25 Cb 1.16 0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.48 2dky h GLU 25 CO -0.82 -0.18 -0.36 0.00 -1.00 0.00 0.00 179.01 176.65 2dky h ALA 26 N 0.61 -1.00 -0.56 3.43 0.00 -0.87 -3.05 119.26 117.81 2dky h ALA 26 Ca 0.16 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.93 2dky h ALA 26 Cb 0.57 0.40 -0.10 0.00 0.00 0.00 0.00 17.79 18.65 2dky h ALA 26 CO -0.58 -1.07 -0.49 0.00 0.00 0.00 0.00 179.25 177.11 2dky h ASP 28 N -0.26 0.23 0.15 0.00 3.58 -0.73 -0.10 116.42 119.28 2dky h ASP 28 Ca 0.14 0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.69 2dky h ASP 28 Cb 0.56 0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.70 2dky h ASP 28 CO -0.68 -0.10 -0.07 -0.25 -2.88 0.00 0.00 179.24 175.26 2dky h TRP 29 N 0.12 -0.18 -1.08 0.28 7.01 -0.02 -0.56 115.95 121.52 2dky h TRP 29 Ca 0.77 -0.00 0.36 0.00 2.11 0.00 0.00 58.89 62.13 2dky h TRP 29 Cb 2.47 0.06 -0.15 0.00 -2.10 0.00 0.00 29.16 29.44 2dky h TRP 29 CO -0.00 0.10 0.64 -0.07 -2.79 0.00 0.00 178.44 176.31 2dky h LEU 30 N -1.00 0.41 0.00 0.65 3.38 0.40 2.18 115.31 121.33 2dky h LEU 30 Ca -0.02 0.18 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 2dky h LEU 30 Cb 0.36 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2dky h LEU 30 CO 0.03 -0.19 -1.01 -0.09 0.09 0.00 0.00 178.44 177.27 2dky h ARG 31 N 0.21 0.00 -0.62 1.13 1.12 -1.32 -0.03 114.38 114.88 2dky h ARG 31 Ca 0.77 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.64 2dky h ARG 31 Cb 1.99 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.95 2dky h ARG 31 CO -0.57 0.25 0.00 0.00 -3.11 0.00 0.00 179.97 176.54 2dky n ALA 32 N -2.28 2.86 -0.03 2.80 0.00 0.41 -4.38 120.51 119.89 2dky n ALA 32 Ca -0.04 -1.55 -0.04 0.00 0.00 0.00 0.00 53.44 51.81 2dky n ALA 32 Cb 0.73 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 19.23 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 1.08 0.36 0.00 0.00 5.66 0.64 -4.93 114.28 117.08 2dky n THR 33 Ca 0.24 -0.13 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 2dky n THR 33 Cb 0.80 -0.77 0.00 0.00 -1.55 0.00 0.00 70.33 68.81 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 3.17 0.26 3.05 1.09 0.00 -1.21 -5.08 105.19 106.48 2dky n GLY 34 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 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 0.17 1.61 0.08 -0.03 -4.90 117.98 118.52 2dky s PHE 35 Ca 0.00 -2.99 0.30 0.00 0.12 0.00 0.00 56.93 54.35 2dky s PHE 35 Cb 0.00 -3.10 1.25 0.00 -0.57 0.00 0.00 43.02 40.60 2dky s PHE 35 CO 0.00 -0.74 1.95 -1.00 -0.10 0.00 0.00 175.22 175.33 2dky h PRO 36 N 6.28 0.00 -0.08 0.24 0.13 -1.83 -2.88 132.00 133.86 2dky h PRO 36 Ca 0.08 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.11 2dky h PRO 36 Cb 0.86 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.97 2dky h PRO 36 CO 0.77 0.10 -0.42 -0.56 -0.23 0.00 0.00 178.00 177.65 2dky h GLN 37 N 0.00 0.17 0.00 0.86 3.07 -1.90 -1.77 115.11 115.54 2dky h GLN 37 Ca -0.00 -0.08 -0.09 0.00 0.09 0.00 0.00 58.65 58.57 2dky h GLN 37 Cb 0.56 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.11 2dky h GLN 37 CO 0.01 0.57 -0.42 1.88 0.09 0.00 0.00 178.83 180.96 2dky h TYR 38 N 0.14 0.00 0.00 0.06 0.05 -1.82 -1.92 116.97 113.48 2dky h TYR 38 Ca 0.01 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.76 2dky h TYR 38 Cb 0.81 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.55 2dky h TYR 38 CO 0.01 0.42 -0.73 0.00 -1.05 0.00 0.00 178.16 176.81 2dky h ALA 39 N 1.58 0.67 0.13 3.88 0.00 -1.52 -3.35 119.26 120.65 2dky h ALA 39 Ca -0.00 -0.14 -0.31 0.00 0.00 0.00 0.00 54.91 54.45 2dky h ALA 39 Cb 1.10 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 2dky h ALA 39 CO 0.05 0.16 -1.62 0.37 0.00 0.00 0.00 179.25 178.22 2dky h GLN 40 N 0.00 0.28 -1.01 0.00 4.15 -1.24 -3.18 115.11 114.11 2dky h GLN 40 Ca -0.02 -0.48 0.24 0.00 0.77 0.00 0.00 58.65 59.16 2dky h GLN 40 Cb 1.10 0.18 -0.11 0.00 0.21 0.00 0.00 27.48 28.86 2dky h GLN 40 CO 0.01 1.23 0.62 -0.07 -1.93 0.00 0.00 178.83 178.69 2dky h LEU 41 N -0.14 0.62 0.02 -2.39 3.38 -1.49 0.16 115.31 115.47 2dky h LEU 41 Ca -0.34 0.11 -0.26 0.00 0.09 0.00 0.00 57.88 57.48 2dky h LEU 41 Cb 1.89 0.01 0.01 0.00 0.09 0.00 0.00 40.66 42.67 2dky h LEU 41 CO 0.09 0.13 -1.15 0.22 0.09 0.00 0.00 178.44 177.82 2dky h TYR 42 N 0.55 0.66 0.00 1.13 5.03 -1.70 -1.45 116.97 121.19 2dky h TYR 42 Ca 0.62 -0.42 -0.01 0.00 2.58 0.00 0.00 58.73 61.49 2dky h TYR 42 Cb 1.26 -0.05 -0.00 0.00 1.55 0.00 0.00 36.73 39.49 2dky h TYR 42 CO -0.00 1.28 -0.07 0.93 -1.32 0.00 0.00 178.16 178.98 2dky h GLU 43 N 0.17 0.00 -0.02 1.82 4.39 -0.73 -0.03 114.58 120.18 2dky h GLU 43 Ca -0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.57 2dky h GLU 43 Cb 1.83 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.48 2dky h GLU 43 CO 0.20 0.07 0.00 -3.47 -1.16 0.00 0.00 179.01 174.65 2dky n ASP 44 N -3.74 1.94 -2.65 1.42 -0.08 -0.29 -4.95 116.55 108.20 2dky n ASP 44 Ca -0.02 -1.65 -0.12 0.00 -1.51 0.00 0.00 54.79 51.48 2dky n ASP 44 Cb 0.17 -0.00 0.06 0.00 2.34 0.00 0.00 41.12 43.69 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 0.52 -1.57 -0.10 -0.67 3.01 -0.02 -4.95 117.46 113.67 2dky n PHE 45 Ca 0.18 0.65 -0.11 0.00 1.01 0.00 0.00 57.45 59.18 2dky n PHE 45 Cb 0.43 -4.05 -0.16 0.00 -0.01 0.00 0.00 39.48 35.69 2dky n PHE 45 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2dky n LEU 46 N -3.20 0.23 -4.46 4.37 4.77 -0.55 -4.99 117.00 113.16 2dky n LEU 46 Ca -0.16 -0.01 -0.32 0.00 -0.03 0.00 0.00 56.01 55.48 2dky n LEU 46 Cb 0.60 0.39 0.13 0.00 -2.33 0.00 0.00 43.42 42.22 2dky n LEU 46 CO 0.42 0.53 0.06 0.49 -1.33 0.00 0.00 177.39 177.56 2dky n PHE 47 N -2.79 -0.99 -1.25 -1.77 3.01 -1.25 -4.65 117.46 107.77 2dky n PHE 47 Ca -0.34 0.26 -0.31 0.00 1.01 0.00 0.00 57.45 58.07 2dky n PHE 47 Cb 1.15 -1.82 0.10 0.00 -0.01 0.00 0.00 39.48 38.89 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 -3.84 2.15 0.51 -1.08 0.04 -1.26 -4.50 135.00 127.02 2dky s PRO 48 Ca 0.59 1.13 0.05 0.00 0.04 0.00 0.00 61.00 62.81 2dky s PRO 48 Cb -0.21 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.45 2dky s PRO 48 CO 0.66 -1.71 0.30 0.96 0.04 0.00 0.00 177.00 177.25 2dky s ILE 49 N -2.91 1.74 -0.71 0.56 -4.36 -1.26 -5.06 121.20 109.21 2dky s ILE 49 Ca 0.61 -1.60 -0.25 0.00 -0.26 0.00 0.00 60.65 59.15 2dky s ILE 49 Cb -0.17 -2.34 0.05 0.00 1.25 0.00 0.00 42.46 41.24 2dky s ILE 49 CO 0.56 0.00 1.15 -1.81 0.24 0.00 0.00 174.94 175.08 2dky s ASP 50 N -4.14 6.17 0.02 4.36 1.11 -1.26 -4.91 116.67 118.01 2dky s ASP 50 Ca 0.31 -0.66 -0.19 0.00 0.18 0.00 0.00 52.55 52.20 2dky s ASP 50 Cb -0.01 -2.50 -0.10 0.00 1.07 0.00 0.00 42.92 41.38 2dky s ASP 50 CO 0.19 -1.68 1.10 0.40 1.18 0.00 0.00 175.17 176.36 2dky h ILE 51 N 6.01 0.00 -1.04 0.77 1.08 -1.98 -2.44 117.51 119.91 2dky h ILE 51 Ca -0.28 -0.11 0.42 0.00 -0.39 0.00 0.00 64.86 64.50 2dky h ILE 51 Cb 1.06 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 34.64 2dky h ILE 51 CO 1.24 0.00 0.58 -1.54 -0.69 0.00 0.00 178.15 177.74 2dky n SER 52 N -4.10 0.32 0.08 1.72 3.41 -1.26 0.65 113.62 114.43 2dky n SER 52 Ca -0.08 1.57 -0.13 0.00 -0.26 0.00 0.00 58.87 59.97 2dky n SER 52 Cb 0.26 -0.77 -0.08 0.00 -0.26 0.00 0.00 64.21 63.36 2dky n SER 52 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2dky h LEU 53 N 0.00 -0.15 -1.45 1.04 -0.00 -1.94 -2.89 115.31 109.92 2dky h LEU 53 Ca 0.83 -0.21 0.46 0.00 -0.00 0.00 0.00 57.88 58.96 2dky h LEU 53 Cb 2.29 0.04 -0.10 0.00 -0.00 0.00 0.00 40.66 42.88 2dky h LEU 53 CO -0.70 0.13 0.98 0.52 -0.00 0.00 0.00 178.44 179.38 2dky n VAL 54 N -5.05 -0.14 -0.05 1.22 0.31 0.21 0.81 118.33 115.65 2dky n VAL 54 Ca -0.09 1.51 -0.12 0.00 -0.01 0.00 0.00 64.34 65.63 2dky n VAL 54 Cb 0.19 -2.48 -0.11 0.00 -0.91 0.00 0.00 33.84 30.54 2dky n VAL 54 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2dky h LYS 55 N 0.00 -0.02 -0.73 5.55 1.57 -1.44 -1.60 116.57 119.90 2dky h LYS 55 Ca 0.81 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 59.67 2dky h LYS 55 Cb 2.87 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 35.12 2dky h LYS 55 CO -0.26 0.75 0.40 0.00 -0.57 0.00 0.00 179.45 179.77 2dky h ARG 56 N -0.93 0.68 -0.16 3.15 3.08 0.54 1.25 114.38 122.00 2dky h ARG 56 Ca -0.00 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 59.90 2dky h ARG 56 Cb 0.78 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.67 2dky h ARG 56 CO 0.00 0.45 -0.30 0.93 -1.07 0.00 0.00 179.97 179.99 2dky h GLU 57 N 0.70 0.48 -1.02 0.04 5.08 -0.84 -3.24 114.58 115.78 2dky h GLU 57 Ca 0.35 -0.31 -0.65 0.00 -1.00 0.00 0.00 59.36 57.74 2dky h GLU 57 Cb 0.29 0.04 -0.32 0.00 0.50 0.00 0.00 28.75 29.25 2dky h GLU 57 CO -0.23 0.91 0.46 0.72 -1.00 0.00 0.00 179.01 179.88 2dky n HIS 58 N -4.38 3.11 0.29 4.33 8.25 -0.60 -4.64 115.22 121.58 2dky n HIS 58 Ca -0.06 -2.81 0.06 0.00 -0.26 0.00 0.00 57.72 54.65 2dky n HIS 58 Cb 0.47 -1.15 0.29 0.00 1.12 0.00 0.00 29.99 30.72 2dky n HIS 58 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2dky n ASP 59 N -0.84 0.19 -0.18 0.41 2.03 0.43 -2.31 116.55 116.28 2dky n ASP 59 Ca 0.57 0.56 -0.10 0.00 0.52 0.00 0.00 54.79 56.35 2dky n ASP 59 Cb 0.70 -0.60 0.02 0.00 -0.72 0.00 0.00 41.12 40.52 2dky n ASP 59 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 2dky h PHE 60 N 0.00 1.16 -2.32 -0.67 -0.00 -1.82 -3.45 116.94 109.84 2dky h PHE 60 Ca 0.00 -0.24 -0.48 0.00 -0.00 0.00 0.00 57.97 57.25 2dky h PHE 60 Cb 0.16 -0.29 0.24 0.00 -0.00 0.00 0.00 35.95 36.06 2dky h PHE 60 CO 0.00 1.07 -1.26 1.28 -0.00 0.00 0.00 178.31 179.40 2dky n LEU 61 N -4.14 -2.21 -4.94 2.10 4.77 -0.98 -4.99 117.00 106.61 2dky n LEU 61 Ca 0.01 -0.01 -0.24 0.00 -0.03 0.00 0.00 56.01 55.74 2dky n LEU 61 Cb 0.41 -0.93 0.03 0.00 -2.33 0.00 0.00 43.42 40.60 2dky n LEU 61 CO 0.46 -3.25 0.42 -1.81 -1.33 0.00 0.00 177.39 171.87 2dky s ASP 62 N -1.72 5.51 0.19 -1.43 1.11 -1.26 -4.85 116.67 114.22 2dky s ASP 62 Ca 0.53 0.37 -0.12 0.00 0.18 0.00 0.00 52.55 53.51 2dky s ASP 62 Cb -0.11 -1.39 0.22 0.00 1.07 0.00 0.00 42.92 42.72 2dky s ASP 62 CO 0.67 -1.02 1.72 -0.09 1.18 0.00 0.00 175.17 177.63 2dky h ARG 63 N 0.03 0.28 0.17 8.23 2.43 -1.96 0.18 114.38 123.73 2dky h ARG 63 Ca -0.45 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.70 2dky h ARG 63 Cb 1.27 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 2dky h ARG 63 CO 0.58 0.18 -0.08 0.22 -1.51 0.00 0.00 179.97 179.36 2dky h ASP 64 N 0.28 -0.19 -0.15 -3.80 3.58 -1.99 0.21 116.42 114.37 2dky h ASP 64 Ca 0.27 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.74 2dky h ASP 64 Cb 0.35 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 2dky h ASP 64 CO -0.32 -0.13 -0.01 0.00 -2.88 0.00 0.00 179.24 175.90 2dky h ALA 65 N 0.60 0.12 0.15 -0.78 0.00 -1.81 -1.96 119.26 115.59 2dky h ALA 65 Ca -0.02 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2dky h ALA 65 Cb 0.18 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2dky h ALA 65 CO 0.04 -0.45 -0.07 0.82 0.00 0.00 0.00 179.25 179.58 2dky h ILE 66 N 0.04 0.88 -0.43 0.00 1.08 -0.54 0.27 117.51 118.80 2dky h ILE 66 Ca 0.07 -0.11 0.08 0.00 -0.39 0.00 0.00 64.86 64.51 2dky h ILE 66 Cb 0.09 0.94 -0.09 0.00 -3.07 0.00 0.00 36.82 34.68 2dky h ILE 66 CO -0.12 0.03 -0.34 -0.33 -0.69 0.00 0.00 178.15 176.69 2dky h GLU 67 N -0.25 -0.24 0.32 2.37 4.39 -0.42 -0.95 114.58 119.80 2dky h GLU 67 Ca -0.02 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2dky h GLU 67 Cb 0.20 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 2dky h GLU 67 CO 0.03 -0.16 -0.15 0.00 -1.16 0.00 0.00 179.01 177.57 2dky h ALA 68 N 0.74 -0.43 -0.97 3.43 0.00 -1.27 -2.91 119.26 117.85 2dky h ALA 68 Ca 0.18 -0.18 0.27 0.00 0.00 0.00 0.00 54.91 55.18 2dky h ALA 68 Cb 0.55 0.17 -0.18 0.00 0.00 0.00 0.00 17.79 18.32 2dky h ALA 68 CO -0.57 -0.59 0.05 -0.11 0.00 0.00 0.00 179.25 178.03 2dky n LEU 69 N -5.15 -0.09 -0.24 0.00 7.94 0.93 0.17 117.00 120.56 2dky n LEU 69 Ca -0.10 1.65 -0.07 0.00 -1.11 0.00 0.00 56.01 56.38 2dky n LEU 69 Cb 0.26 -0.61 0.06 0.00 0.53 0.00 0.00 43.42 43.67 2dky n LEU 69 CO 0.31 -1.68 0.94 0.00 -1.11 0.00 0.00 177.39 175.85 2dky h ARG 71 N 1.04 0.00 0.06 0.00 2.47 0.19 -0.14 114.38 118.00 2dky h ARG 71 Ca 0.21 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.69 2dky h ARG 71 Cb 0.39 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.69 2dky h ARG 71 CO 0.01 0.00 -1.31 0.00 0.56 0.00 0.00 179.97 179.23 2dky h ARG 72 N 0.00 0.13 -0.03 0.04 2.47 -1.14 -3.28 114.38 112.57 2dky h ARG 72 Ca 0.24 -0.22 0.03 0.00 -1.26 0.00 0.00 59.98 58.77 2dky h ARG 72 Cb 1.26 0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 29.62 2dky h ARG 72 CO -0.00 1.11 -0.15 -0.07 0.56 0.00 0.00 179.97 181.41 2dky h LEU 73 N -0.59 -0.46 -0.85 3.04 3.38 -0.87 -2.15 115.31 116.82 2dky h LEU 73 Ca -0.31 0.07 0.11 0.00 0.09 0.00 0.00 57.88 57.84 2dky h LEU 73 Cb 1.55 0.20 -0.08 0.00 0.09 0.00 0.00 40.66 42.42 2dky h LEU 73 CO -0.05 -0.21 0.48 -0.55 0.09 0.00 0.00 178.44 178.20 2dky h ASN 74 N -0.24 0.67 -0.85 -0.43 7.08 -1.27 0.19 115.58 120.74 2dky h ASN 74 Ca 0.06 0.06 0.15 0.00 -3.08 0.00 0.00 56.30 53.48 2dky h ASN 74 Cb 0.32 -0.07 -0.06 0.00 -2.08 0.00 0.00 38.32 36.43 2dky h ASN 74 CO -0.17 0.36 0.55 0.74 -2.08 0.00 0.00 177.43 176.84 2dky h THR 75 N 0.78 0.82 0.01 6.14 2.02 -1.45 -1.09 112.91 120.13 2dky h THR 75 Ca 0.42 -0.21 -0.27 0.00 0.77 0.00 0.00 66.41 67.13 2dky h THR 75 Cb 0.43 0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 66.97 2dky h THR 75 CO -0.27 0.11 -1.49 -0.07 0.37 0.00 0.00 175.52 174.17 2dky h LEU 76 N 0.60 0.02 -1.72 2.58 3.38 -0.82 -2.82 115.31 116.55 2dky h LEU 76 Ca 0.42 -0.04 0.24 0.00 0.09 0.00 0.00 57.88 58.59 2dky h LEU 76 Cb 0.76 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.45 2dky h LEU 76 CO -0.18 1.03 0.62 0.78 0.09 0.00 0.00 178.44 180.79 2dky h ASN 77 N 0.00 0.23 0.00 -0.43 -0.26 0.63 0.47 115.58 116.22 2dky h ASN 77 Ca -0.20 0.03 -0.43 0.00 -0.56 0.00 0.00 56.30 55.14 2dky h ASN 77 Cb 1.94 -0.01 -0.06 0.00 -1.06 0.00 0.00 38.32 39.12 2dky h ASN 77 CO 0.10 0.08 -2.35 2.29 -1.06 0.00 0.00 177.43 176.49 2dky n LYS 78 N -4.41 0.59 0.18 0.81 2.85 -1.12 -3.58 118.16 113.48 2dky n LYS 78 Ca 0.20 0.30 0.08 0.00 -1.05 0.00 0.00 58.31 57.84 2dky n LYS 78 Cb 0.84 -1.53 0.45 0.00 -0.65 0.00 0.00 35.03 34.13 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 -1.64 0.27 -0.63 0.00 0.00 0.13 -4.39 120.51 114.27 2dky n ALA 80 Ca -0.01 -0.37 0.49 0.00 0.00 0.00 0.00 53.44 53.55 2dky n ALA 80 Cb 0.27 0.01 0.77 0.00 0.00 0.00 0.00 19.45 20.50 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 -3.25 -0.08 -0.32 0.00 3.14 -1.08 -0.34 118.33 116.40 2dky n VAL 81 Ca -0.04 1.58 0.22 0.00 -2.96 0.00 0.00 64.34 63.14 2dky n VAL 81 Cb 0.16 -2.61 0.42 0.00 -1.06 0.00 0.00 33.84 30.75 2dky n VAL 81 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 2dky n MET 82 N -4.16 -0.07 -0.23 1.45 2.81 -0.88 -0.07 117.12 115.98 2dky n MET 82 Ca 0.43 1.39 0.22 0.00 -1.81 0.00 0.00 57.70 57.92 2dky n MET 82 Cb 1.85 -2.34 0.39 0.00 -0.71 0.00 0.00 33.22 32.41 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 -5.31 -0.04 0.08 0.03 0.00 0.54 -0.21 118.16 113.25 2dky n LYS 83 Ca 0.30 0.87 -0.03 0.00 0.00 0.00 0.00 58.31 59.44 2dky n LYS 83 Cb 0.99 -1.60 -0.02 0.00 0.00 0.00 0.00 35.03 34.40 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 -0.19 -9.41 3.14 4.07 -0.73 -3.46 115.31 108.73 2dky h LEU 84 Ca 0.55 0.01 -0.54 0.00 0.08 0.00 0.00 57.88 57.98 2dky h LEU 84 Cb 1.53 0.05 0.22 0.00 1.08 0.00 0.00 40.66 43.55 2dky h LEU 84 CO -0.45 -0.01 -1.17 1.21 -1.08 0.00 0.00 178.44 176.93 2dky n GLU 85 N -3.28 -0.13 -3.65 1.13 0.00 0.71 -5.02 120.64 110.40 2dky n GLU 85 Ca -0.03 -0.01 -0.10 0.00 0.00 0.00 0.00 57.16 57.02 2dky n GLU 85 Cb 0.09 -1.45 -0.03 0.00 0.00 0.00 0.00 31.44 30.05 2dky n GLU 85 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2dky s SER 86 N -1.51 -0.37 0.01 4.31 0.15 -1.26 -4.96 113.70 110.07 2dky s SER 86 Ca 0.49 -0.34 0.02 0.00 0.70 0.00 0.00 55.95 56.83 2dky s SER 86 Cb -0.21 0.63 -0.04 0.00 -1.71 0.00 0.00 66.02 64.69 2dky s SER 86 CO 0.74 -1.10 -0.01 -0.83 1.20 0.00 0.00 173.24 173.24 2dky s GLY 87 N -2.84 1.87 0.19 9.45 0.00 -1.26 -5.01 107.32 109.72 2dky s GLY 87 Ca 0.07 -0.98 -0.03 0.00 0.00 0.00 0.00 44.72 43.78 2dky s GLY 87 CO -0.04 -0.86 0.17 -1.55 0.00 0.00 0.00 173.10 170.82 2dky n PRO 88 N 1.32 -1.35 -3.09 2.90 -0.04 -1.26 -4.54 135.00 128.95 2dky n PRO 88 Ca -0.14 -0.27 -0.45 0.00 -0.04 0.00 0.00 63.50 62.60 2dky n PRO 88 Cb 0.53 -0.25 -0.04 0.00 -0.04 0.00 0.00 33.50 33.69 2dky n PRO 88 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dky s SER 89 N -1.96 6.24 0.13 3.54 0.01 -1.26 -4.78 113.70 115.61 2dky s SER 89 Ca 0.11 -1.49 -0.20 0.00 1.31 0.00 0.00 55.95 55.67 2dky s SER 89 Cb -0.01 -2.31 -0.00 0.00 0.21 0.00 0.00 66.02 63.90 2dky s SER 89 CO 0.08 -1.12 1.13 -1.20 0.41 0.00 0.00 173.24 172.54 2dky n SER 90 N 6.37 -0.71 0.00 2.44 7.64 -1.26 -5.25 113.62 122.85 2dky n SER 90 Ca -0.06 1.29 0.00 0.00 1.01 0.00 0.00 58.87 61.11 2dky n SER 90 Cb 0.43 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 2dky n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64