#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 0.12 -0.77 1.61 1.04 -1.26 -5.08 113.70 109.36 2dky s SER 2 Ca 0.00 -1.26 -0.25 0.00 0.48 0.00 0.00 55.95 54.91 2dky s SER 2 Cb 0.00 0.41 -0.05 0.00 0.10 0.00 0.00 66.02 66.48 2dky s SER 2 CO 0.00 -0.88 2.01 -0.55 0.98 0.00 0.00 173.24 174.79 2dky s SER 3 N -3.11 4.99 -0.15 7.02 0.15 -1.26 -4.94 113.70 116.39 2dky s SER 3 Ca 0.33 -0.16 -0.16 0.00 0.70 0.00 0.00 55.95 56.67 2dky s SER 3 Cb 0.06 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.78 2dky s SER 3 CO 0.10 -2.77 0.40 -0.83 1.20 0.00 0.00 173.24 171.33 2dky s GLY 4 N 8.67 2.26 -0.09 9.45 0.00 -1.26 -5.00 107.32 121.35 2dky s GLY 4 Ca 0.74 -0.36 -0.00 0.00 0.00 0.00 0.00 44.72 45.10 2dky s GLY 4 CO 0.09 0.67 0.00 1.76 0.00 0.00 0.00 173.10 175.62 2dky h SER 5 N 6.86 -0.00 -0.75 1.64 0.02 -2.07 -3.36 113.55 115.90 2dky h SER 5 Ca -0.40 0.00 0.13 0.00 -0.84 0.00 0.00 61.79 60.68 2dky h SER 5 Cb 1.17 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.62 2dky h SER 5 CO 0.75 0.44 0.32 -1.28 -1.14 0.00 0.00 176.83 175.91 2dky h SER 6 N -0.87 0.33 -4.04 3.07 0.87 -2.03 -3.48 113.55 107.40 2dky h SER 6 Ca -0.00 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2dky h SER 6 Cb 0.00 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2dky h SER 6 CO 0.00 0.15 -0.64 0.61 -0.53 0.00 0.00 176.83 176.42 2dky n GLY 7 N -1.32 -4.80 3.41 5.77 0.00 -1.26 -4.88 105.19 102.10 2dky n GLY 7 Ca 0.14 -0.27 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 2dky n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2dky s MET 8 N -1.27 3.20 -1.74 1.61 1.75 -1.26 -4.50 119.30 117.09 2dky s MET 8 Ca 0.00 -1.35 -0.18 0.00 -1.25 0.00 0.00 55.69 52.91 2dky s MET 8 Cb 0.00 -4.39 0.18 0.00 2.84 0.00 0.00 34.83 33.46 2dky s MET 8 CO 0.00 -1.64 0.46 0.00 -0.65 0.00 0.00 175.02 173.18 2dky s ARG 10 N -7.03 3.05 1.25 0.00 1.81 -1.26 -5.08 118.95 111.69 2dky s ARG 10 Ca 0.64 0.19 -0.21 0.00 -1.72 0.00 0.00 55.73 54.63 2dky s ARG 10 Cb -0.37 -2.21 0.31 0.00 -0.45 0.00 0.00 34.95 32.22 2dky s ARG 10 CO 0.98 -0.70 1.11 0.15 -0.68 0.00 0.00 175.30 176.17 2dky s LYS 11 N -5.06 -1.62 -0.48 3.54 -0.14 -1.26 -5.04 119.74 109.69 2dky s LYS 11 Ca 0.54 -0.19 0.04 0.00 -1.36 0.00 0.00 55.97 54.99 2dky s LYS 11 Cb -0.11 -1.56 0.16 0.00 -1.68 0.00 0.00 37.83 34.65 2dky s LYS 11 CO 0.47 -3.95 0.36 0.15 -0.76 0.00 0.00 175.35 171.62 2dky s LYS 12 N -5.50 1.27 0.47 1.68 -0.14 -1.26 -5.12 119.74 111.14 2dky s LYS 12 Ca 0.72 -2.34 -0.22 0.00 -1.36 0.00 0.00 55.97 52.77 2dky s LYS 12 Cb -0.08 -1.95 -0.07 0.00 -1.68 0.00 0.00 37.83 34.06 2dky s LYS 12 CO 0.56 -1.34 1.16 -1.25 -0.76 0.00 0.00 175.35 173.72 2dky s PRO 13 N -0.20 3.70 -0.24 -1.68 0.04 -1.26 -4.68 135.00 130.68 2dky s PRO 13 Ca 0.29 1.75 -0.38 0.00 0.04 0.00 0.00 61.00 62.69 2dky s PRO 13 Cb -0.02 -2.34 -0.14 0.00 0.04 0.00 0.00 34.50 32.03 2dky s PRO 13 CO -0.16 -0.60 1.81 -0.40 0.04 0.00 0.00 177.00 177.69 2dky n ASP 14 N -0.61 2.65 -3.14 6.66 5.75 -1.26 -4.89 116.55 121.71 2dky n ASP 14 Ca 0.08 1.01 -0.22 0.00 -0.01 0.00 0.00 54.79 55.66 2dky n ASP 14 Cb 0.49 -1.20 -0.04 0.00 -1.03 0.00 0.00 41.12 39.33 2dky n ASP 14 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2dky n THR 15 N 4.90 0.76 0.67 2.12 -2.24 -1.26 -4.85 114.28 114.38 2dky n THR 15 Ca 0.26 -4.82 0.11 0.00 -2.27 0.00 0.00 64.05 57.34 2dky n THR 15 Cb 0.17 -0.86 0.07 0.00 -2.10 0.00 0.00 70.33 67.62 2dky n THR 15 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65 2dky n MET 16 N 0.30 0.22 0.05 -0.78 0.00 -1.26 -4.06 117.12 111.59 2dky n MET 16 Ca 0.26 0.01 -0.20 0.00 0.00 0.00 0.00 57.70 57.77 2dky n MET 16 Cb 0.56 -1.58 -0.13 0.00 0.00 0.00 0.00 33.22 32.07 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 1.37 -0.05 3.17 5.03 -2.01 -3.13 117.51 121.89 2dky h ILE 17 Ca 0.00 -2.34 -0.00 0.00 -0.12 0.00 0.00 64.86 62.39 2dky h ILE 17 Cb 0.68 2.74 -0.00 0.00 -3.03 0.00 0.00 36.82 37.20 2dky h ILE 17 CO 0.00 0.70 0.03 0.25 -0.68 0.00 0.00 178.15 178.45 2dky h LEU 18 N 0.05 0.06 -0.33 1.44 6.46 -1.97 -3.01 115.31 118.02 2dky h LEU 18 Ca -0.14 -0.06 0.07 0.00 -0.12 0.00 0.00 57.88 57.62 2dky h LEU 18 Cb 1.67 -0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 41.52 2dky h LEU 18 CO 0.19 0.11 -0.08 0.71 -0.62 0.00 0.00 178.44 178.74 2dky h THR 19 N 0.01 0.67 -1.71 1.05 1.35 -1.71 -0.49 112.91 112.09 2dky h THR 19 Ca 0.02 0.00 0.51 0.00 -0.55 0.00 0.00 66.41 66.39 2dky h THR 19 Cb 0.06 0.67 -0.09 0.00 -1.73 0.00 0.00 68.15 67.06 2dky h THR 19 CO -0.00 0.00 1.21 -0.61 -0.25 0.00 0.00 175.52 175.86 2dky h GLN 20 N -0.00 0.02 0.00 4.72 5.75 -1.46 0.18 115.11 124.32 2dky h GLN 20 Ca 0.16 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.66 2dky h GLN 20 Cb 0.24 -0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.79 2dky h GLN 20 CO -0.34 0.01 -0.01 0.82 -2.65 0.00 0.00 178.83 176.66 2dky h ILE 21 N 0.02 0.11 -0.30 2.39 2.04 -1.14 -3.06 117.51 117.57 2dky h ILE 21 Ca 0.87 -1.08 0.07 0.00 1.00 0.00 0.00 64.86 65.71 2dky h ILE 21 Cb 3.30 0.20 -0.08 0.00 -0.74 0.00 0.00 36.82 39.50 2dky h ILE 21 CO -0.12 0.04 -0.27 -0.33 0.00 0.00 0.00 178.15 177.46 2dky h GLU 22 N -1.00 -0.25 0.18 2.37 4.39 -0.72 -2.61 114.58 116.94 2dky h GLU 22 Ca -0.00 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.72 2dky h GLU 22 Cb 0.07 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.73 2dky h GLU 22 CO -0.00 -0.16 -0.48 0.00 -1.16 0.00 0.00 179.01 177.21 2dky h ALA 23 N 0.78 -0.99 -0.85 3.43 0.00 -0.92 -2.33 119.26 118.37 2dky h ALA 23 Ca 0.15 -0.12 0.16 0.00 0.00 0.00 0.00 54.91 55.10 2dky h ALA 23 Cb 0.50 0.83 -0.15 0.00 0.00 0.00 0.00 17.79 18.96 2dky h ALA 23 CO -0.44 -1.09 -0.25 1.17 0.00 0.00 0.00 179.25 178.63 2dky n LYS 24 N -5.20 -0.12 -0.08 0.00 3.00 -1.02 0.48 118.16 115.23 2dky n LYS 24 Ca -0.08 1.32 -0.08 0.00 -0.00 0.00 0.00 58.31 59.47 2dky n LYS 24 Cb 0.38 -1.97 -0.02 0.00 0.00 0.00 0.00 35.03 33.42 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 -0.25 0.92 1.64 5.08 -1.07 0.17 114.58 121.07 2dky h GLU 25 Ca 0.37 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.71 2dky h GLU 25 Cb 0.59 0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.90 2dky h GLU 25 CO -0.87 -0.17 -0.46 0.00 -1.00 0.00 0.00 179.01 176.51 2dky h ALA 26 N 0.77 -1.27 -0.48 3.43 0.00 0.19 -2.13 119.26 119.77 2dky h ALA 26 Ca 0.16 -0.27 0.08 0.00 0.00 0.00 0.00 54.91 54.87 2dky h ALA 26 Cb 0.51 0.52 -0.10 0.00 0.00 0.00 0.00 17.79 18.72 2dky h ALA 26 CO -0.46 -1.22 -0.43 0.00 0.00 0.00 0.00 179.25 177.14 2dky h ASP 28 N -0.28 0.73 0.22 0.00 3.58 -0.64 -1.70 116.42 118.33 2dky h ASP 28 Ca 0.15 0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.70 2dky h ASP 28 Cb 0.57 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.61 2dky h ASP 28 CO -0.62 0.21 -0.11 -0.25 -2.88 0.00 0.00 179.24 175.59 2dky h TRP 29 N 0.68 -0.27 -0.96 0.28 7.01 0.06 0.17 115.95 122.91 2dky h TRP 29 Ca 0.60 -0.01 0.30 0.00 2.11 0.00 0.00 58.89 61.89 2dky h TRP 29 Cb 1.05 0.09 -0.15 0.00 -2.10 0.00 0.00 29.16 28.05 2dky h TRP 29 CO -0.00 0.10 0.45 -0.07 -2.79 0.00 0.00 178.44 176.12 2dky h LEU 30 N -0.75 0.31 0.00 0.65 3.38 0.22 2.17 115.31 121.29 2dky h LEU 30 Ca -0.03 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2dky h LEU 30 Cb 0.50 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2dky h LEU 30 CO 0.05 -0.16 -0.71 -0.09 0.09 0.00 0.00 178.44 177.63 2dky h ARG 31 N 0.27 0.00 -0.60 1.13 1.12 -1.34 0.22 114.38 115.17 2dky h ARG 31 Ca 0.68 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.55 2dky h ARG 31 Cb 1.50 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.46 2dky h ARG 31 CO -0.64 0.00 0.00 0.00 -3.11 0.00 0.00 179.97 176.22 2dky n ALA 32 N -2.09 2.35 -0.04 2.80 0.00 0.34 -4.37 120.51 119.51 2dky n ALA 32 Ca 0.02 -1.21 -0.05 0.00 0.00 0.00 0.00 53.44 52.20 2dky n ALA 32 Cb 0.52 -0.82 -0.04 0.00 0.00 0.00 0.00 19.45 19.11 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 1.42 0.44 0.00 0.00 5.66 0.65 -4.94 114.28 117.51 2dky n THR 33 Ca 0.21 -0.20 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 2dky n THR 33 Cb 0.58 -0.80 0.00 0.00 -1.55 0.00 0.00 70.33 68.56 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 2.96 0.26 3.15 1.09 0.00 -1.19 -5.08 105.19 106.38 2dky n GLY 34 Ca -0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 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 3.90 -1.25 1.61 0.08 0.76 -4.87 117.98 118.20 2dky s PHE 35 Ca 0.00 -2.91 0.14 0.00 0.12 0.00 0.00 56.93 54.28 2dky s PHE 35 Cb 0.00 -3.34 0.68 0.00 -0.57 0.00 0.00 43.02 39.79 2dky s PHE 35 CO 0.00 -0.79 1.42 -0.35 -0.10 0.00 0.00 175.22 175.41 2dky n PRO 36 N 2.56 0.12 0.02 0.24 -0.04 -1.20 -2.79 135.00 133.92 2dky n PRO 36 Ca 0.20 0.19 -0.22 0.00 -0.04 0.00 0.00 63.50 63.63 2dky n PRO 36 Cb 0.38 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.20 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 0.28 0.00 0.54 3.07 -1.89 -3.28 115.11 113.83 2dky h GLN 37 Ca 0.00 -0.48 -0.00 0.00 0.09 0.00 0.00 58.65 58.26 2dky h GLN 37 Cb 0.18 0.18 -0.00 0.00 0.08 0.00 0.00 27.48 27.92 2dky h GLN 37 CO 0.00 1.23 -0.02 1.88 0.09 0.00 0.00 178.83 182.01 2dky h TYR 38 N -0.08 0.00 0.00 0.06 0.05 -1.84 0.43 116.97 115.60 2dky h TYR 38 Ca -0.37 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.41 2dky h TYR 38 Cb 1.94 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.68 2dky h TYR 38 CO 0.10 0.02 -0.43 0.00 -1.05 0.00 0.00 178.16 176.79 2dky h ALA 39 N 1.98 0.78 0.06 3.88 0.00 -1.68 -3.34 119.26 120.94 2dky h ALA 39 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 2dky h ALA 39 Cb 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2dky h ALA 39 CO 0.00 0.00 -1.39 0.37 0.00 0.00 0.00 179.25 178.23 2dky h GLN 40 N 0.00 0.13 -0.98 0.00 5.75 -1.05 -3.24 115.11 115.72 2dky h GLN 40 Ca 0.00 -0.22 0.28 0.00 -0.15 0.00 0.00 58.65 58.56 2dky h GLN 40 Cb 0.99 0.08 -0.14 0.00 1.07 0.00 0.00 27.48 29.48 2dky h GLN 40 CO 0.00 1.10 0.51 -0.07 -2.65 0.00 0.00 178.83 177.73 2dky h LEU 41 N -0.57 0.46 -0.35 -2.39 3.38 -1.23 0.93 115.31 115.55 2dky h LEU 41 Ca -0.33 0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.70 2dky h LEU 41 Cb 1.58 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 42.44 2dky h LEU 41 CO -0.06 -0.07 -0.56 0.22 0.09 0.00 0.00 178.44 178.06 2dky h TYR 42 N 0.38 0.00 0.00 1.13 3.20 -1.72 -1.60 116.97 118.36 2dky h TYR 42 Ca 0.67 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 62.45 2dky h TYR 42 Cb 1.43 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.69 2dky h TYR 42 CO -0.06 0.56 -0.45 0.93 -1.64 0.00 0.00 178.16 177.50 2dky h GLU 43 N 0.00 0.00 -0.01 1.82 5.08 0.81 -2.48 114.58 119.81 2dky h GLU 43 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2dky h GLU 43 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2dky h GLU 43 CO 0.07 0.45 -0.10 -3.47 -1.00 0.00 0.00 179.01 174.97 2dky n ASP 44 N -3.85 1.19 -1.91 1.42 2.03 -0.38 -4.94 116.55 110.12 2dky n ASP 44 Ca -0.01 -1.19 -0.08 0.00 0.52 0.00 0.00 54.79 54.02 2dky n ASP 44 Cb 0.50 0.04 0.04 0.00 -0.72 0.00 0.00 41.12 40.97 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 -0.25 -0.98 -0.08 -0.67 3.72 -0.93 -4.97 117.46 113.30 2dky n PHE 45 Ca 0.16 0.39 -0.10 0.00 -0.05 0.00 0.00 57.45 57.86 2dky n PHE 45 Cb 0.34 -3.05 -0.15 0.00 -0.94 0.00 0.00 39.48 35.67 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 -2.29 0.33 -4.47 4.37 4.77 -0.61 -4.98 117.00 114.13 2dky n LEU 46 Ca -0.08 0.10 -0.32 0.00 -0.03 0.00 0.00 56.01 55.68 2dky n LEU 46 Cb 0.55 0.36 0.14 0.00 -2.33 0.00 0.00 43.42 42.14 2dky n LEU 46 CO 0.25 0.49 0.08 0.49 -1.33 0.00 0.00 177.39 177.37 2dky n PHE 47 N -2.85 -0.93 -1.23 -1.77 3.01 -1.25 -4.66 117.46 107.78 2dky n PHE 47 Ca -0.29 0.26 -0.30 0.00 1.01 0.00 0.00 57.45 58.12 2dky n PHE 47 Cb 1.13 -1.82 0.12 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 -3.87 1.73 0.41 -1.08 0.04 -1.26 -4.78 135.00 126.19 2dky s PRO 48 Ca 0.59 0.99 0.07 0.00 0.04 0.00 0.00 61.00 62.70 2dky s PRO 48 Cb -0.21 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 2dky s PRO 48 CO 0.65 -1.96 0.17 0.96 0.04 0.00 0.00 177.00 176.86 2dky s ILE 49 N -2.92 2.28 -0.72 0.56 -4.36 -1.26 -5.06 121.20 109.73 2dky s ILE 49 Ca 0.62 -1.72 -0.27 0.00 -0.26 0.00 0.00 60.65 59.03 2dky s ILE 49 Cb -0.18 -3.00 0.03 0.00 1.25 0.00 0.00 42.46 40.56 2dky s ILE 49 CO 0.56 0.00 1.27 -1.81 0.24 0.00 0.00 174.94 175.21 2dky s ASP 50 N -3.89 6.18 0.02 4.36 1.11 -1.26 -4.88 116.67 118.31 2dky s ASP 50 Ca 0.41 -0.39 -0.25 0.00 0.18 0.00 0.00 52.55 52.50 2dky s ASP 50 Cb 0.04 -2.56 -0.18 0.00 1.07 0.00 0.00 42.92 41.30 2dky s ASP 50 CO 0.22 -1.81 1.42 0.40 1.18 0.00 0.00 175.17 176.59 2dky h ILE 51 N 6.05 1.06 -1.00 0.77 1.08 -1.99 -2.43 117.51 121.06 2dky h ILE 51 Ca -0.28 -0.61 0.27 0.00 -0.39 0.00 0.00 64.86 63.86 2dky h ILE 51 Cb 1.05 1.45 -0.05 0.00 -3.07 0.00 0.00 36.82 36.20 2dky h ILE 51 CO 1.27 0.15 0.69 0.77 -0.69 0.00 0.00 178.15 180.34 2dky h SER 52 N -0.41 0.14 0.02 1.72 4.64 -2.02 -0.67 113.55 116.98 2dky h SER 52 Ca -0.01 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2dky h SER 52 Cb 0.34 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2dky h SER 52 CO 0.02 0.04 -0.01 0.25 -0.87 0.00 0.00 176.83 176.26 2dky h LEU 53 N 0.13 -0.02 -1.00 5.97 5.85 -1.91 -3.01 115.31 121.33 2dky h LEU 53 Ca 0.50 -0.64 0.38 0.00 0.84 0.00 0.00 57.88 58.96 2dky h LEU 53 Cb 1.73 0.01 -0.18 0.00 0.37 0.00 0.00 40.66 42.59 2dky h LEU 53 CO -0.08 0.65 0.47 0.58 -0.34 0.00 0.00 178.44 179.71 2dky h VAL 54 N -0.71 0.05 -0.10 1.05 2.07 -0.63 0.58 116.25 118.56 2dky h VAL 54 Ca -0.00 -0.02 -0.08 0.00 0.82 0.00 0.00 66.70 67.42 2dky h VAL 54 Cb 0.66 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2dky h VAL 54 CO 0.00 0.01 -0.26 0.11 0.02 0.00 0.00 177.57 177.46 2dky h LYS 55 N 0.05 0.35 -0.88 1.57 1.57 -1.56 -2.31 116.57 115.36 2dky h LYS 55 Ca 0.79 -0.24 0.15 0.00 -1.87 0.00 0.00 60.65 59.48 2dky h LYS 55 Cb 2.00 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 34.28 2dky h LYS 55 CO -0.76 0.85 0.57 -0.09 -0.57 0.00 0.00 179.45 179.45 2dky h ARG 56 N -0.10 0.61 -0.03 3.15 1.12 0.23 0.60 114.38 119.96 2dky h ARG 56 Ca -0.00 -0.04 -0.07 0.00 -1.11 0.00 0.00 59.98 58.76 2dky h ARG 56 Cb 0.86 -0.14 0.00 0.00 -0.01 0.00 0.00 29.97 30.69 2dky h ARG 56 CO 0.06 0.41 -0.27 0.93 -3.11 0.00 0.00 179.97 177.98 2dky h GLU 57 N 0.63 0.24 -1.13 0.20 5.08 -1.09 -3.29 114.58 115.23 2dky h GLU 57 Ca 0.44 -0.21 -0.68 0.00 -1.00 0.00 0.00 59.36 57.91 2dky h GLU 57 Cb 0.78 0.05 -0.30 0.00 0.50 0.00 0.00 28.75 29.78 2dky h GLU 57 CO -0.20 0.89 0.69 0.72 -1.00 0.00 0.00 179.01 180.11 2dky n HIS 58 N -4.49 3.15 0.26 4.33 8.25 -0.72 -4.66 115.22 121.34 2dky n HIS 58 Ca -0.09 -2.85 0.16 0.00 -0.26 0.00 0.00 57.72 54.68 2dky n HIS 58 Cb 0.49 -1.27 0.86 0.00 1.12 0.00 0.00 29.99 31.18 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 2.18 0.00 -0.42 0.41 3.58 0.09 -1.31 116.42 120.94 2dky h ASP 59 Ca 0.57 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.91 2dky h ASP 59 Cb 0.78 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.81 2dky h ASP 59 CO 1.47 0.00 -0.16 2.19 -2.88 0.00 0.00 179.24 179.86 2dky h PHE 60 N 0.00 0.98 -1.80 0.28 -0.00 -1.83 -3.45 116.94 111.12 2dky h PHE 60 Ca 0.00 -0.23 -0.51 0.00 -0.00 0.00 0.00 57.97 57.23 2dky h PHE 60 Cb 0.14 -0.23 0.24 0.00 -0.00 0.00 0.00 35.95 36.10 2dky h PHE 60 CO 0.00 1.00 -1.97 1.28 -0.00 0.00 0.00 178.31 178.62 2dky n LEU 61 N -4.24 -3.67 -4.95 2.10 4.77 -0.50 -4.96 117.00 105.56 2dky n LEU 61 Ca -0.01 0.08 -0.24 0.00 -0.03 0.00 0.00 56.01 55.82 2dky n LEU 61 Cb 0.41 -0.73 0.03 0.00 -2.33 0.00 0.00 43.42 40.80 2dky n LEU 61 CO 0.45 -3.95 0.41 -1.81 -1.33 0.00 0.00 177.39 171.16 2dky s ASP 62 N -1.23 5.47 0.14 -1.43 1.01 -1.26 -4.87 116.67 114.50 2dky s ASP 62 Ca 0.42 0.33 -0.18 0.00 0.71 0.00 0.00 52.55 53.83 2dky s ASP 62 Cb -0.06 -1.32 0.02 0.00 1.01 0.00 0.00 42.92 42.57 2dky s ASP 62 CO 0.72 -1.04 1.72 -0.09 0.21 0.00 0.00 175.17 176.69 2dky h ARG 63 N 0.02 0.09 -0.61 8.23 2.43 -1.97 0.15 114.38 122.73 2dky h ARG 63 Ca -0.45 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 58.68 2dky h ARG 63 Cb 1.27 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.78 2dky h ARG 63 CO 0.57 0.06 0.22 0.38 -1.51 0.00 0.00 179.97 179.69 2dky h ASP 64 N 0.09 0.86 -0.16 -3.80 3.04 -1.99 -1.73 116.42 112.73 2dky h ASP 64 Ca 0.13 -0.19 -0.00 0.00 -3.24 0.00 0.00 57.03 53.73 2dky h ASP 64 Cb 0.16 -0.22 -0.01 0.00 -1.04 0.00 0.00 39.33 38.22 2dky h ASP 64 CO -0.21 0.82 0.09 0.00 -2.04 0.00 0.00 179.24 177.89 2dky h ALA 65 N 1.08 0.20 0.13 4.15 0.00 -1.81 -0.53 119.26 122.49 2dky h ALA 65 Ca 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2dky h ALA 65 Cb 0.24 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2dky h ALA 65 CO -0.01 -0.26 -0.10 0.82 0.00 0.00 0.00 179.25 179.70 2dky h ILE 66 N 0.15 0.78 -0.46 0.00 1.08 -0.59 -0.83 117.51 117.64 2dky h ILE 66 Ca 0.06 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.57 2dky h ILE 66 Cb 0.08 0.78 -0.04 0.00 -3.07 0.00 0.00 36.82 34.56 2dky h ILE 66 CO -0.01 0.00 0.22 -0.33 -0.69 0.00 0.00 178.15 177.34 2dky h GLU 67 N -0.24 0.42 -0.64 2.37 4.39 -1.25 0.21 114.58 119.84 2dky h GLU 67 Ca -0.00 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.68 2dky h GLU 67 Cb 0.22 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 2dky h GLU 67 CO -0.01 0.28 0.42 0.00 -1.16 0.00 0.00 179.01 178.54 2dky h ALA 68 N 1.26 1.57 -0.02 3.43 0.00 -0.86 -1.09 119.26 123.55 2dky h ALA 68 Ca 0.20 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2dky h ALA 68 Cb 0.13 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2dky h ALA 68 CO -0.16 0.39 -0.14 1.25 0.00 0.00 0.00 179.25 180.59 2dky h LEU 69 N 0.84 0.15 -1.60 0.00 5.85 -0.22 -3.24 115.31 117.10 2dky h LEU 69 Ca 0.24 -0.70 0.08 0.00 0.84 0.00 0.00 57.88 58.34 2dky h LEU 69 Cb -0.06 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 2dky h LEU 69 CO -0.06 0.83 0.40 0.00 -0.34 0.00 0.00 178.44 179.28 2dky h ARG 71 N 0.47 0.00 0.01 0.00 3.08 -1.22 -0.38 114.38 116.34 2dky h ARG 71 Ca 0.27 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.94 2dky h ARG 71 Cb 0.44 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.44 2dky h ARG 71 CO -0.08 0.00 -2.12 0.54 -1.07 0.00 0.00 179.97 177.25 2dky n ARG 72 N -2.65 0.61 0.30 0.04 3.00 0.20 -4.00 116.66 114.15 2dky n ARG 72 Ca -0.02 0.34 -0.17 0.00 -0.01 0.00 0.00 57.85 57.99 2dky n ARG 72 Cb 0.19 -1.59 -0.08 0.00 0.00 0.00 0.00 32.46 30.98 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 -0.77 -0.69 -0.71 0.55 -0.00 -1.18 -2.81 115.31 109.69 2dky h LEU 73 Ca -0.56 0.03 0.15 0.00 -0.00 0.00 0.00 57.88 57.51 2dky h LEU 73 Cb 1.60 0.19 -0.11 0.00 -0.00 0.00 0.00 40.66 42.35 2dky h LEU 73 CO -0.27 -0.46 0.13 -0.55 -0.00 0.00 0.00 178.44 177.29 2dky h ASN 74 N -0.74 -0.06 -0.92 -0.43 7.08 -1.33 0.33 115.58 119.51 2dky h ASN 74 Ca -0.06 0.15 0.19 0.00 -3.08 0.00 0.00 56.30 53.49 2dky h ASN 74 Cb 0.59 0.22 -0.07 0.00 -2.08 0.00 0.00 38.32 36.97 2dky h ASN 74 CO 0.09 -0.06 0.60 0.74 -2.08 0.00 0.00 177.43 176.72 2dky h THR 75 N 0.23 0.71 0.04 6.14 2.02 -1.63 -0.34 112.91 120.08 2dky h THR 75 Ca 0.39 -0.18 -0.27 0.00 0.77 0.00 0.00 66.41 67.12 2dky h THR 75 Cb 0.66 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 2dky h THR 75 CO -0.52 0.09 -1.46 -0.07 0.37 0.00 0.00 175.52 173.94 2dky h LEU 76 N 0.52 0.13 -1.79 2.58 3.38 -0.39 -2.75 115.31 116.98 2dky h LEU 76 Ca 0.48 -0.19 0.24 0.00 0.09 0.00 0.00 57.88 58.50 2dky h LEU 76 Cb 1.04 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.70 2dky h LEU 76 CO -0.21 1.16 0.62 0.78 0.09 0.00 0.00 178.44 180.88 2dky h ASN 77 N 0.02 0.17 0.03 -0.43 2.35 0.13 0.58 115.58 118.42 2dky h ASN 77 Ca -0.20 0.02 -0.38 0.00 -0.55 0.00 0.00 56.30 55.19 2dky h ASN 77 Cb 1.94 -0.01 -0.06 0.00 0.05 0.00 0.00 38.32 40.24 2dky h ASN 77 CO 0.12 0.06 -2.38 2.29 -1.65 0.00 0.00 177.43 175.87 2dky n LYS 78 N -4.38 0.67 0.00 0.81 2.85 -1.08 -3.94 118.16 113.10 2dky n LYS 78 Ca 0.19 0.17 0.03 0.00 -1.05 0.00 0.00 58.31 57.65 2dky n LYS 78 Cb 0.86 -1.56 0.16 0.00 -0.65 0.00 0.00 35.03 33.84 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 -1.33 1.46 0.09 0.00 0.00 0.13 -4.47 120.51 116.39 2dky n ALA 80 Ca 0.03 -1.21 -0.17 0.00 0.00 0.00 0.00 53.44 52.08 2dky n ALA 80 Cb 0.06 -0.17 -0.10 0.00 0.00 0.00 0.00 19.45 19.23 2dky n ALA 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2dky h VAL 81 N 0.00 1.39 -1.15 0.00 2.07 -1.47 -3.29 116.25 113.81 2dky h VAL 81 Ca -0.55 -2.62 0.37 0.00 0.82 0.00 0.00 66.70 64.71 2dky h VAL 81 Cb 2.09 2.66 -0.08 0.00 -1.52 0.00 0.00 31.29 34.44 2dky h VAL 81 CO -0.02 0.78 0.78 1.15 0.02 0.00 0.00 177.57 180.28 2dky n MET 82 N -3.70 -0.02 -0.36 1.57 0.00 -0.60 -0.64 117.12 113.37 2dky n MET 82 Ca -0.10 0.84 -0.08 0.00 0.00 0.00 0.00 57.70 58.36 2dky n MET 82 Cb 0.94 -1.76 -0.06 0.00 0.00 0.00 0.00 33.22 32.34 2dky n MET 82 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 2dky n LYS 83 N -3.80 -0.35 -0.18 3.17 4.81 -1.24 0.26 118.16 120.82 2dky n LYS 83 Ca 0.30 1.33 -0.09 0.00 -0.87 0.00 0.00 58.31 58.98 2dky n LYS 83 Cb 1.24 -1.96 0.01 0.00 0.02 0.00 0.00 35.03 34.34 2dky n LYS 83 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2dky h LEU 84 N 0.00 0.82 -1.81 3.14 4.07 -1.18 -2.70 115.31 117.65 2dky h LEU 84 Ca 0.17 -0.25 0.44 0.00 0.08 0.00 0.00 57.88 58.32 2dky h LEU 84 Cb 0.39 -0.22 -0.08 0.00 1.08 0.00 0.00 40.66 41.83 2dky h LEU 84 CO -0.83 0.86 1.04 -0.08 -1.08 0.00 0.00 178.44 178.34 2dky h GLU 85 N 0.74 0.05 -6.93 1.13 4.57 -0.25 -3.41 114.58 110.48 2dky h GLU 85 Ca 0.16 -0.00 -0.52 0.00 -1.18 0.00 0.00 59.36 57.82 2dky h GLU 85 Cb 0.38 -0.01 0.21 0.00 -0.16 0.00 0.00 28.75 29.17 2dky h GLU 85 CO 0.01 0.03 -0.36 0.45 -1.18 0.00 0.00 179.01 177.96 2dky n SER 86 N -4.25 -1.39 -4.43 1.04 2.88 -0.73 -4.87 113.62 101.87 2dky n SER 86 Ca 0.35 0.29 -0.38 0.00 -1.33 0.00 0.00 58.87 57.79 2dky n SER 86 Cb 1.53 -1.27 0.03 0.00 -0.75 0.00 0.00 64.21 63.75 2dky n SER 86 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dky n GLY 87 N 1.16 -1.83 0.00 0.46 0.00 -1.26 -4.80 105.19 98.92 2dky n GLY 87 Ca 0.07 -0.17 0.08 0.00 0.00 0.00 0.00 46.02 46.00 2dky n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dky n PRO 88 N 0.25 0.44 -0.31 1.61 -0.04 -1.26 -3.73 135.00 131.96 2dky n PRO 88 Ca 0.11 0.03 0.17 0.00 -0.04 0.00 0.00 63.50 63.76 2dky n PRO 88 Cb 0.47 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.78 2dky n PRO 88 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2dky h SER 89 N 0.00 0.12 -3.32 3.54 0.02 -1.99 -3.34 113.55 108.58 2dky h SER 89 Ca 0.00 0.20 -0.66 0.00 -0.84 0.00 0.00 61.79 60.49 2dky h SER 89 Cb 0.02 0.25 -0.29 0.00 0.14 0.00 0.00 62.40 62.52 2dky h SER 89 CO 0.00 -0.17 -0.76 -0.94 -1.14 0.00 0.00 176.83 173.82 2dky s SER 90 N -5.01 4.01 0.00 3.07 1.04 -1.24 -5.30 113.70 110.26 2dky s SER 90 Ca -0.11 -0.43 0.32 0.00 0.48 0.00 0.00 55.95 56.20 2dky s SER 90 Cb 0.27 -1.66 1.89 0.00 0.10 0.00 0.00 66.02 66.62 2dky s SER 90 CO 0.78 0.01 2.21 0.61 0.98 0.00 0.00 173.24 177.83