#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 6.75 0.12 1.61 0.01 -1.26 -5.01 113.70 115.93 2dky s SER 2 Ca 0.00 0.92 -0.28 0.00 1.31 0.00 0.00 55.95 57.91 2dky s SER 2 Cb 0.00 -2.23 -0.06 0.00 0.21 0.00 0.00 66.02 63.94 2dky s SER 2 CO 0.00 0.22 1.61 0.77 0.41 0.00 0.00 173.24 176.25 2dky h SER 3 N 4.07 -1.01 -3.51 2.44 4.64 -2.14 -3.48 113.55 114.55 2dky h SER 3 Ca -0.50 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2dky h SER 3 Cb 1.20 0.40 0.00 0.00 -0.31 0.00 0.00 62.40 63.70 2dky h SER 3 CO 0.64 -0.40 0.00 0.61 -0.87 0.00 0.00 176.83 176.82 2dky n GLY 4 N -1.42 2.03 3.64 -0.77 0.00 -1.26 -5.07 105.19 102.34 2dky n GLY 4 Ca -0.05 -1.76 -0.44 0.00 0.00 0.00 0.00 46.02 43.77 2dky n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dky n SER 5 N 0.00 3.69 -4.51 1.61 3.41 -1.26 -4.96 113.62 111.60 2dky n SER 5 Ca 0.00 0.71 -0.35 0.00 -0.26 0.00 0.00 58.87 58.96 2dky n SER 5 Cb 0.00 -1.49 -0.12 0.00 -0.26 0.00 0.00 64.21 62.34 2dky n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dky s SER 6 N 5.56 5.19 0.00 4.04 0.15 -1.26 -4.90 113.70 122.48 2dky s SER 6 Ca 0.94 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 57.48 2dky s SER 6 Cb -0.48 -1.90 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 2dky s SER 6 CO 0.43 0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.54 2dky n GLY 7 N 4.26 -1.60 3.73 9.45 0.00 -1.26 -5.10 105.19 114.67 2dky n GLY 7 Ca -0.17 0.54 -0.40 0.00 0.00 0.00 0.00 46.02 45.99 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 4.52 0.16 1.61 -1.94 -1.26 -5.03 119.30 117.35 2dky s MET 8 Ca 0.00 1.14 -0.25 0.00 -1.71 0.00 0.00 55.69 54.87 2dky s MET 8 Cb 0.00 -3.41 0.06 0.00 2.01 0.00 0.00 34.83 33.49 2dky s MET 8 CO 0.00 0.14 0.89 0.00 -0.01 0.00 0.00 175.02 176.04 2dky s ARG 10 N -3.40 4.11 0.40 0.00 3.00 -1.26 -4.99 118.95 116.81 2dky s ARG 10 Ca 0.10 2.20 -0.05 0.00 0.00 0.00 0.00 55.73 57.98 2dky s ARG 10 Cb -0.02 -4.03 -0.04 0.00 0.00 0.00 0.00 34.95 30.86 2dky s ARG 10 CO 0.01 -0.94 0.69 0.21 0.00 0.00 0.00 175.30 175.27 2dky s LYS 11 N 4.22 3.59 0.01 3.54 2.47 -1.26 -5.00 119.74 127.30 2dky s LYS 11 Ca 0.76 0.09 -0.33 0.00 -1.56 0.00 0.00 55.97 54.93 2dky s LYS 11 Cb -0.34 -2.49 -0.12 0.00 -1.46 0.00 0.00 37.83 33.42 2dky s LYS 11 CO 0.31 -0.02 1.84 1.63 0.16 0.00 0.00 175.35 179.27 2dky n LYS 12 N -1.74 2.38 0.28 4.03 5.02 -1.26 -4.85 118.16 122.01 2dky n LYS 12 Ca -0.01 0.87 0.17 0.00 -2.02 0.00 0.00 58.31 57.33 2dky n LYS 12 Cb 0.55 -2.73 0.71 0.00 -0.02 0.00 0.00 35.03 33.54 2dky n LYS 12 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2dky h PRO 13 N 8.75 0.00 -5.15 1.97 0.13 -2.01 -3.40 132.00 132.29 2dky h PRO 13 Ca -0.48 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.28 2dky h PRO 13 Cb 1.26 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.24 2dky h PRO 13 CO 0.94 0.00 -0.69 -0.51 -0.23 0.00 0.00 178.00 177.51 2dky s ASP 14 N -5.68 1.93 -1.36 1.44 1.01 -1.26 -4.83 116.67 107.93 2dky s ASP 14 Ca 0.01 -1.11 -0.04 0.00 0.71 0.00 0.00 52.55 52.12 2dky s ASP 14 Cb 0.09 -0.02 0.04 0.00 1.01 0.00 0.00 42.92 44.04 2dky s ASP 14 CO 0.54 -0.39 0.10 0.35 0.21 0.00 0.00 175.17 175.97 2dky n THR 15 N -0.33 -0.67 0.09 -1.27 -2.24 -1.26 -4.79 114.28 103.81 2dky n THR 15 Ca -0.08 -0.34 -0.01 0.00 -2.27 0.00 0.00 64.05 61.36 2dky n THR 15 Cb 0.62 -0.76 -0.04 0.00 -2.10 0.00 0.00 70.33 68.06 2dky n THR 15 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dky h MET 16 N -1.22 0.00 0.03 -0.78 -0.00 -1.88 -3.29 114.93 107.78 2dky h MET 16 Ca -0.54 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.15 2dky h MET 16 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.78 2dky h MET 16 CO 0.63 0.58 -0.01 0.82 -0.00 0.00 0.00 176.91 178.93 2dky h ILE 17 N 0.00 0.94 -0.17 -0.10 1.08 -1.94 -3.15 117.51 114.17 2dky h ILE 17 Ca -0.05 -1.61 0.02 0.00 -0.39 0.00 0.00 64.86 62.83 2dky h ILE 17 Cb 1.55 1.74 -0.03 0.00 -3.07 0.00 0.00 36.82 37.01 2dky h ILE 17 CO 0.08 0.31 -0.20 0.25 -0.69 0.00 0.00 178.15 177.89 2dky h LEU 18 N -0.98 -0.69 -0.70 1.44 6.46 -1.96 -0.64 115.31 118.24 2dky h LEU 18 Ca -0.00 0.09 0.14 0.00 -0.12 0.00 0.00 57.88 57.99 2dky h LEU 18 Cb 0.53 0.29 -0.13 0.00 -0.73 0.00 0.00 40.66 40.62 2dky h LEU 18 CO 0.01 -0.14 -0.18 0.71 -0.62 0.00 0.00 178.44 178.22 2dky h THR 19 N -0.13 0.30 -0.74 1.05 1.35 -1.74 0.16 112.91 113.15 2dky h THR 19 Ca 0.03 0.00 0.15 0.00 -0.55 0.00 0.00 66.41 66.04 2dky h THR 19 Cb 0.21 0.30 -0.10 0.00 -1.73 0.00 0.00 68.15 66.82 2dky h THR 19 CO -0.23 0.00 0.22 -0.61 -0.25 0.00 0.00 175.52 174.65 2dky h GLN 20 N -0.00 0.32 0.32 4.72 4.15 -1.22 0.20 115.11 123.60 2dky h GLN 20 Ca 0.33 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.72 2dky h GLN 20 Cb 0.51 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.13 2dky h GLN 20 CO -0.72 0.21 -0.15 0.82 -1.93 0.00 0.00 178.83 177.06 2dky h ILE 21 N 0.33 0.00 -0.29 2.39 2.04 0.75 0.28 117.51 123.01 2dky h ILE 21 Ca 0.42 -0.03 0.05 0.00 1.00 0.00 0.00 64.86 66.29 2dky h ILE 21 Cb 0.69 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.69 2dky h ILE 21 CO -0.47 0.00 -0.49 -0.33 0.00 0.00 0.00 178.15 176.86 2dky h GLU 22 N -0.46 -0.42 -0.93 2.37 5.08 -1.13 0.14 114.58 119.22 2dky h GLU 22 Ca -0.04 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.45 2dky h GLU 22 Cb 0.33 0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.60 2dky h GLU 22 CO 0.07 -0.28 0.57 0.00 -1.00 0.00 0.00 179.01 178.37 2dky h ALA 23 N 0.07 1.36 -0.82 3.43 0.00 -0.68 -1.30 119.26 121.33 2dky h ALA 23 Ca 0.08 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2dky h ALA 23 Cb 0.62 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2dky h ALA 23 CO -0.52 0.21 0.50 -0.22 0.00 0.00 0.00 179.25 179.22 2dky h LYS 24 N 0.94 1.10 -0.13 0.00 1.63 0.13 -1.61 116.57 118.63 2dky h LYS 24 Ca 0.45 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 60.15 2dky h LYS 24 Cb 0.38 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 31.77 2dky h LYS 24 CO -0.24 0.77 0.09 0.93 -3.45 0.00 0.00 179.45 177.55 2dky h GLU 25 N 1.12 0.18 0.92 1.90 4.39 0.34 -2.16 114.58 121.26 2dky h GLU 25 Ca 0.29 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.94 2dky h GLU 25 Cb -0.06 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 28.56 2dky h GLU 25 CO -0.06 0.12 -0.47 0.00 -1.16 0.00 0.00 179.01 177.44 2dky h ALA 26 N 1.05 -1.33 -0.69 3.43 0.00 -1.17 -2.72 119.26 117.83 2dky h ALA 26 Ca 0.05 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.75 2dky h ALA 26 Cb -0.02 0.53 -0.10 0.00 0.00 0.00 0.00 17.79 18.20 2dky h ALA 26 CO -0.01 -1.25 -0.57 0.00 0.00 0.00 0.00 179.25 177.42 2dky h ASP 28 N -0.21 -0.57 0.71 0.00 1.82 -1.38 -1.30 116.42 115.50 2dky h ASP 28 Ca 0.12 0.24 -0.03 0.00 -0.39 0.00 0.00 57.03 56.96 2dky h ASP 28 Cb 0.51 0.45 -0.00 0.00 0.68 0.00 0.00 39.33 40.97 2dky h ASP 28 CO -0.76 -0.26 -0.42 -0.25 -1.61 0.00 0.00 179.24 175.94 2dky h TRP 29 N 0.04 -1.13 -1.00 0.28 7.01 -0.47 1.12 115.95 121.80 2dky h TRP 29 Ca 0.45 -0.01 0.41 0.00 2.11 0.00 0.00 58.89 61.85 2dky h TRP 29 Cb 0.79 0.40 -0.18 0.00 -2.10 0.00 0.00 29.16 28.07 2dky h TRP 29 CO -0.54 -0.64 0.53 -0.07 -2.79 0.00 0.00 178.44 174.93 2dky h LEU 30 N -1.06 0.31 0.00 0.65 3.38 -0.13 2.30 115.31 120.76 2dky h LEU 30 Ca -0.10 0.26 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 2dky h LEU 30 Cb 0.84 0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 2dky h LEU 30 CO 0.11 -0.43 -1.16 -0.09 0.09 0.00 0.00 178.44 176.96 2dky h ARG 31 N 0.01 0.00 -0.68 1.13 9.65 -0.95 0.48 114.38 124.02 2dky h ARG 31 Ca 0.84 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.72 2dky h ARG 31 Cb 2.21 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.79 2dky h ARG 31 CO -0.77 0.31 0.00 0.00 2.80 0.00 0.00 179.97 182.31 2dky n ALA 32 N -2.33 2.64 -0.02 2.80 0.00 0.58 -4.19 120.51 119.98 2dky n ALA 32 Ca -0.06 -1.30 -0.02 0.00 0.00 0.00 0.00 53.44 52.06 2dky n ALA 32 Cb 0.79 -0.98 -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 1.35 0.26 0.00 0.00 5.66 0.64 -4.92 114.28 117.26 2dky n THR 33 Ca 0.23 -0.15 0.00 0.00 -3.05 0.00 0.00 64.05 61.08 2dky n THR 33 Cb 0.68 -0.87 0.00 0.00 -1.55 0.00 0.00 70.33 68.59 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 2.84 0.35 3.14 1.09 0.00 -1.21 -5.07 105.19 106.34 2dky n GLY 34 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 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 3.93 -1.32 1.61 0.08 0.17 -4.87 117.98 117.57 2dky s PHE 35 Ca 0.00 -2.95 0.15 0.00 0.12 0.00 0.00 56.93 54.24 2dky s PHE 35 Cb 0.00 -3.34 0.71 0.00 -0.57 0.00 0.00 43.02 39.83 2dky s PHE 35 CO 0.00 -0.78 1.42 -0.35 -0.10 0.00 0.00 175.22 175.41 2dky n PRO 36 N 2.46 0.16 -0.04 0.24 -0.04 -1.22 -2.76 135.00 133.80 2dky n PRO 36 Ca 0.21 0.17 -0.20 0.00 -0.04 0.00 0.00 63.50 63.64 2dky n PRO 36 Cb 0.37 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.20 2dky n PRO 36 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dky n GLN 37 N -1.34 0.73 0.29 0.54 10.64 -1.26 -3.86 117.38 123.12 2dky n GLN 37 Ca 0.06 0.23 0.18 0.00 -1.83 0.00 0.00 57.00 55.64 2dky n GLN 37 Cb 0.13 -1.65 0.81 0.00 -0.86 0.00 0.00 30.24 28.67 2dky n GLN 37 CO 0.00 0.00 0.00 1.88 -1.83 0.00 0.00 177.06 177.11 2dky h TYR 38 N 0.05 0.00 0.00 2.61 0.05 -1.83 -1.17 116.97 116.69 2dky h TYR 38 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.31 2dky h TYR 38 Cb 2.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.74 2dky h TYR 38 CO 0.06 0.01 -0.52 0.00 -1.05 0.00 0.00 178.16 176.66 2dky h ALA 39 N 1.99 0.72 0.06 3.88 0.00 -1.70 -3.35 119.26 120.86 2dky h ALA 39 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.56 2dky h ALA 39 Cb 0.39 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 2dky h ALA 39 CO 0.00 0.00 -1.97 0.94 0.00 0.00 0.00 179.25 178.22 2dky n GLN 40 N -2.67 0.67 -0.28 0.00 7.27 -0.76 -3.94 117.38 117.67 2dky n GLN 40 Ca 0.02 0.32 0.06 0.00 0.07 0.00 0.00 57.00 57.47 2dky n GLN 40 Cb 0.51 -1.66 0.16 0.00 2.41 0.00 0.00 30.24 31.66 2dky n GLN 40 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 2dky h LEU 41 N -0.33 -0.52 -1.14 1.69 3.38 -1.39 0.71 115.31 117.72 2dky h LEU 41 Ca -0.47 0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 2dky h LEU 41 Cb 1.78 0.42 -0.02 0.00 0.09 0.00 0.00 40.66 42.94 2dky h LEU 41 CO -0.08 -0.24 -0.10 0.22 0.09 0.00 0.00 178.44 178.33 2dky h TYR 42 N 0.05 0.52 0.00 1.13 5.03 -1.76 -1.85 116.97 120.09 2dky h TYR 42 Ca 0.43 -0.07 0.00 0.00 2.58 0.00 0.00 58.73 61.67 2dky h TYR 42 Cb 0.75 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 38.89 2dky h TYR 42 CO -0.51 0.58 0.00 0.93 -1.32 0.00 0.00 178.16 177.83 2dky h GLU 43 N 0.45 0.00 -0.29 1.82 5.08 0.12 -2.71 114.58 119.05 2dky h GLU 43 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2dky h GLU 43 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2dky h GLU 43 CO 0.03 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.79 2dky n ASP 44 N -2.94 2.36 -3.17 1.42 8.00 0.70 -4.94 116.55 117.98 2dky n ASP 44 Ca 0.02 -1.86 -0.17 0.00 0.71 0.00 0.00 54.79 53.50 2dky n ASP 44 Cb 0.39 -0.19 0.08 0.00 -0.02 0.00 0.00 41.12 41.37 2dky n ASP 44 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2dky n PHE 45 N 0.78 -2.12 -0.04 1.24 3.72 -1.02 -4.93 117.46 115.09 2dky n PHE 45 Ca 0.17 0.85 0.02 0.00 -0.05 0.00 0.00 57.45 58.43 2dky n PHE 45 Cb 0.42 -4.67 -0.14 0.00 -0.94 0.00 0.00 39.48 34.15 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 -3.97 0.00 -4.70 4.37 4.77 -0.87 -5.00 117.00 111.59 2dky n LEU 46 Ca -0.18 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.49 2dky n LEU 46 Cb 0.62 0.18 0.14 0.00 -2.33 0.00 0.00 43.42 42.02 2dky n LEU 46 CO 0.55 0.18 0.71 -0.36 -1.33 0.00 0.00 177.39 177.13 2dky s PHE 47 N -2.89 1.90 0.71 -1.77 0.40 -1.26 -4.54 117.98 110.53 2dky s PHE 47 Ca -0.07 1.71 -0.13 0.00 -0.60 0.00 0.00 56.93 57.83 2dky s PHE 47 Cb 0.09 -3.31 0.02 0.00 0.51 0.00 0.00 43.02 40.33 2dky s PHE 47 CO 0.72 -2.56 1.10 -1.25 0.70 0.00 0.00 175.22 173.94 2dky s PRO 48 N -4.55 2.58 0.50 0.24 0.04 -1.26 -4.74 135.00 127.80 2dky s PRO 48 Ca 0.67 1.30 0.08 0.00 0.04 0.00 0.00 61.00 63.08 2dky s PRO 48 Cb -0.23 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.41 2dky s PRO 48 CO 0.55 -1.41 0.52 0.96 0.04 0.00 0.00 177.00 177.65 2dky s ILE 49 N -2.57 2.25 -0.84 0.56 -4.36 -1.26 -5.05 121.20 109.92 2dky s ILE 49 Ca 0.65 -1.26 -0.22 0.00 -0.26 0.00 0.00 60.65 59.56 2dky s ILE 49 Cb -0.19 -2.51 0.08 0.00 1.25 0.00 0.00 42.46 41.09 2dky s ILE 49 CO 0.48 0.00 1.16 -1.81 0.24 0.00 0.00 174.94 175.01 2dky s ASP 50 N -4.34 6.40 0.21 4.36 1.11 -1.26 -4.86 116.67 118.29 2dky s ASP 50 Ca 0.48 -1.40 -0.08 0.00 0.18 0.00 0.00 52.55 51.73 2dky s ASP 50 Cb -0.04 -2.46 0.16 0.00 1.07 0.00 0.00 42.92 41.65 2dky s ASP 50 CO 0.29 -1.37 1.80 0.40 1.18 0.00 0.00 175.17 177.48 2dky h ILE 51 N 6.10 1.25 -0.05 0.77 1.08 -2.00 -1.83 117.51 122.84 2dky h ILE 51 Ca -0.03 -0.72 0.01 0.00 -0.39 0.00 0.00 64.86 63.74 2dky h ILE 51 Cb 1.04 0.24 -0.00 0.00 -3.07 0.00 0.00 36.82 35.03 2dky h ILE 51 CO 1.22 0.30 0.05 0.77 -0.69 0.00 0.00 178.15 179.80 2dky h SER 52 N 1.14 0.00 0.00 1.72 4.64 -2.02 -2.64 113.55 116.39 2dky h SER 52 Ca 0.28 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.58 2dky h SER 52 Cb 0.13 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2dky h SER 52 CO -0.03 0.00 -0.10 -0.07 -0.87 0.00 0.00 176.83 175.76 2dky h LEU 53 N 0.00 0.00 -1.81 5.97 -0.00 -1.76 -3.08 115.31 114.63 2dky h LEU 53 Ca 0.02 -0.96 0.50 0.00 -0.00 0.00 0.00 57.88 57.45 2dky h LEU 53 Cb 0.11 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 40.68 2dky h LEU 53 CO -0.00 1.04 1.17 0.58 -0.00 0.00 0.00 178.44 181.23 2dky h VAL 54 N -1.00 0.09 0.15 1.22 2.07 -1.02 0.79 116.25 118.54 2dky h VAL 54 Ca -0.03 -0.01 -0.27 0.00 0.82 0.00 0.00 66.70 67.22 2dky h VAL 54 Cb 1.02 0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2dky h VAL 54 CO -0.02 0.00 -1.30 0.11 0.02 0.00 0.00 177.57 176.39 2dky h LYS 55 N 0.02 0.31 -0.69 1.57 1.57 -1.63 -2.62 116.57 115.11 2dky h LYS 55 Ca 0.86 -0.53 -0.00 0.00 -1.87 0.00 0.00 60.65 59.11 2dky h LYS 55 Cb 3.23 0.20 -0.03 0.00 0.08 0.00 0.00 32.23 35.70 2dky h LYS 55 CO -0.15 1.25 0.42 -0.09 -0.57 0.00 0.00 179.45 180.32 2dky h ARG 56 N -0.23 0.92 -0.05 3.15 2.43 0.52 0.17 114.38 121.30 2dky h ARG 56 Ca -0.26 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 58.80 2dky h ARG 56 Cb 1.81 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 31.16 2dky h ARG 56 CO 0.12 0.65 -0.10 0.93 -1.51 0.00 0.00 179.97 180.06 2dky h GLU 57 N 0.93 0.15 -1.46 0.20 4.39 -0.76 -3.26 114.58 114.78 2dky h GLU 57 Ca 0.25 -0.10 -0.68 0.00 0.34 0.00 0.00 59.36 59.17 2dky h GLU 57 Cb -0.05 0.01 -0.27 0.00 -0.10 0.00 0.00 28.75 28.35 2dky h GLU 57 CO -0.05 0.69 0.89 0.72 -1.16 0.00 0.00 179.01 180.11 2dky n HIS 58 N -4.67 2.94 0.32 4.33 8.25 -0.98 -4.61 115.22 120.80 2dky n HIS 58 Ca -0.08 -2.65 0.21 0.00 -0.26 0.00 0.00 57.72 54.95 2dky n HIS 58 Cb 0.35 -1.32 1.05 0.00 1.12 0.00 0.00 29.99 31.19 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 2.39 0.00 -0.06 0.41 3.04 -0.70 -2.02 116.42 119.48 2dky h ASP 59 Ca 0.56 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 54.32 2dky h ASP 59 Cb 0.52 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.80 2dky h ASP 59 CO 1.45 0.00 -0.03 2.19 -2.04 0.00 0.00 179.24 180.80 2dky h PHE 60 N 0.00 0.25 -2.69 4.15 -5.15 -1.84 -3.44 116.94 108.22 2dky h PHE 60 Ca -0.00 -0.02 -0.46 0.00 -0.20 0.00 0.00 57.97 57.29 2dky h PHE 60 Cb 0.17 -0.08 0.23 0.00 0.22 0.00 0.00 35.95 36.49 2dky h PHE 60 CO 0.00 0.29 -0.74 1.28 -2.00 0.00 0.00 178.31 177.14 2dky n LEU 61 N -4.36 -1.76 -4.93 2.10 4.77 -0.76 -5.00 117.00 107.06 2dky n LEU 61 Ca -0.00 -0.08 -0.25 0.00 -0.03 0.00 0.00 56.01 55.65 2dky n LEU 61 Cb 0.20 -1.07 -0.02 0.00 -2.33 0.00 0.00 43.42 40.20 2dky n LEU 61 CO 0.37 -3.18 0.17 -1.81 -1.33 0.00 0.00 177.39 171.61 2dky s ASP 62 N -2.01 6.33 0.23 -1.43 1.01 -1.26 -4.90 116.67 114.64 2dky s ASP 62 Ca 0.59 0.50 -0.07 0.00 0.71 0.00 0.00 52.55 54.28 2dky s ASP 62 Cb -0.16 -2.05 0.41 0.00 1.01 0.00 0.00 42.92 42.12 2dky s ASP 62 CO 0.66 -0.25 1.67 -0.09 0.21 0.00 0.00 175.17 177.36 2dky h ARG 63 N 1.04 0.17 -0.37 8.23 2.43 -1.95 0.12 114.38 124.06 2dky h ARG 63 Ca -0.49 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 58.63 2dky h ARG 63 Cb 1.21 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 2dky h ARG 63 CO 0.63 0.11 0.10 -0.44 -1.51 0.00 0.00 179.97 178.86 2dky h ASP 64 N 0.18 0.55 -0.19 -3.80 5.19 -1.98 0.85 116.42 117.22 2dky h ASP 64 Ca 0.39 -0.23 0.03 0.00 -0.62 0.00 0.00 57.03 56.60 2dky h ASP 64 Cb 0.66 -0.15 -0.03 0.00 0.18 0.00 0.00 39.33 40.00 2dky h ASP 64 CO -0.55 0.63 0.02 0.00 -3.12 0.00 0.00 179.24 176.22 2dky h ALA 65 N 0.94 0.18 0.56 3.45 0.00 -1.46 -1.82 119.26 121.11 2dky h ALA 65 Ca 0.12 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2dky h ALA 65 Cb 0.29 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.15 2dky h ALA 65 CO 0.00 -0.41 -0.27 0.82 0.00 0.00 0.00 179.25 179.39 2dky h ILE 66 N 0.09 0.18 -0.98 0.00 1.08 -0.76 -0.31 117.51 116.81 2dky h ILE 66 Ca 0.09 -0.43 0.32 0.00 -0.39 0.00 0.00 64.86 64.45 2dky h ILE 66 Cb 0.09 0.26 -0.18 0.00 -3.07 0.00 0.00 36.82 33.92 2dky h ILE 66 CO -0.13 0.03 0.25 -0.33 -0.69 0.00 0.00 178.15 177.28 2dky h GLU 67 N -1.12 0.04 0.30 2.37 4.39 -0.81 -0.55 114.58 119.20 2dky h GLU 67 Ca -0.08 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 2dky h GLU 67 Cb 0.63 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 2dky h GLU 67 CO 0.13 0.03 -0.14 0.00 -1.16 0.00 0.00 179.01 177.86 2dky h ALA 68 N 1.96 -0.43 -0.83 3.43 0.00 -1.31 -3.23 119.26 118.86 2dky h ALA 68 Ca 0.68 -0.09 0.16 0.00 0.00 0.00 0.00 54.91 55.67 2dky h ALA 68 Cb 1.58 0.15 -0.15 0.00 0.00 0.00 0.00 17.79 19.37 2dky h ALA 68 CO -0.83 -0.40 -0.22 -0.11 0.00 0.00 0.00 179.25 177.69 2dky n LEU 69 N -4.75 -0.33 -0.13 0.00 7.94 -0.13 0.12 117.00 119.72 2dky n LEU 69 Ca -0.05 1.43 -0.04 0.00 -1.11 0.00 0.00 56.01 56.24 2dky n LEU 69 Cb 0.16 -0.42 0.04 0.00 0.53 0.00 0.00 43.42 43.73 2dky n LEU 69 CO 0.12 -1.36 0.85 0.00 -1.11 0.00 0.00 177.39 175.89 2dky n ARG 71 N -5.21 -0.05 0.01 0.00 5.12 0.33 0.01 116.66 116.87 2dky n ARG 71 Ca 0.04 1.19 -0.09 0.00 -1.93 0.00 0.00 57.85 57.06 2dky n ARG 71 Cb 0.23 -2.20 -0.07 0.00 -1.16 0.00 0.00 32.46 29.26 2dky n ARG 71 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2dky h ARG 72 N 0.00 -0.13 -0.03 5.56 -0.00 -1.21 -3.00 114.38 115.57 2dky h ARG 72 Ca 0.77 0.01 0.01 0.00 -0.50 0.00 0.00 59.98 60.27 2dky h ARG 72 Cb 2.19 0.03 -0.03 0.00 0.00 0.00 0.00 29.97 32.16 2dky h ARG 72 CO -0.59 0.31 -0.32 -0.07 0.00 0.00 0.00 179.97 179.31 2dky h LEU 73 N -0.95 -0.99 -0.73 3.04 -0.00 -0.23 -1.97 115.31 113.49 2dky h LEU 73 Ca -0.01 0.11 0.16 0.00 -0.00 0.00 0.00 57.88 58.14 2dky h LEU 73 Cb 0.49 0.38 -0.13 0.00 -0.00 0.00 0.00 40.66 41.40 2dky h LEU 73 CO 0.02 -0.30 -0.10 -0.55 -0.00 0.00 0.00 178.44 177.52 2dky h ASN 74 N -0.37 -0.52 -1.04 -0.43 7.08 -1.15 0.65 115.58 119.80 2dky h ASN 74 Ca 0.01 0.21 0.29 0.00 -3.08 0.00 0.00 56.30 53.73 2dky h ASN 74 Cb 0.41 0.40 -0.05 0.00 -2.08 0.00 0.00 38.32 37.00 2dky h ASN 74 CO -0.23 -0.21 0.73 0.74 -2.08 0.00 0.00 177.43 176.38 2dky h THR 75 N 0.04 0.50 0.15 6.14 2.02 -1.22 0.14 112.91 120.68 2dky h THR 75 Ca 0.37 -0.04 -0.36 0.00 0.77 0.00 0.00 66.41 67.16 2dky h THR 75 Cb 0.61 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 2dky h THR 75 CO -0.70 0.02 -1.90 -0.07 0.37 0.00 0.00 175.52 173.24 2dky h LEU 76 N 0.11 0.48 -0.41 2.58 3.38 0.68 -3.26 115.31 118.88 2dky h LEU 76 Ca 0.52 -0.93 0.08 0.00 0.09 0.00 0.00 57.88 57.64 2dky h LEU 76 Cb 1.85 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 42.37 2dky h LEU 76 CO -0.08 1.82 -0.05 0.78 0.09 0.00 0.00 178.44 181.00 2dky h ASN 77 N 0.08 -0.27 0.95 -0.43 2.35 0.11 0.68 115.58 119.06 2dky h ASN 77 Ca -0.39 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 2dky h ASN 77 Cb 2.06 0.21 0.00 0.00 0.05 0.00 0.00 38.32 40.64 2dky h ASN 77 CO 0.12 -0.09 0.00 0.07 -1.65 0.00 0.00 177.43 175.88 2dky h LYS 78 N 0.06 0.00 0.00 0.81 2.10 -1.44 -1.92 116.57 116.17 2dky h LYS 78 Ca 0.20 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.85 2dky h LYS 78 Cb 0.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 2dky h LYS 78 CO -0.38 0.00 -1.27 0.00 -2.00 0.00 0.00 179.45 175.80 2dky n ALA 80 N -2.19 1.77 -0.01 0.00 0.00 0.20 -4.23 120.51 116.05 2dky n ALA 80 Ca -0.01 -0.73 0.05 0.00 0.00 0.00 0.00 53.44 52.75 2dky n ALA 80 Cb 0.55 -0.80 -0.14 0.00 0.00 0.00 0.00 19.45 19.06 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 -2.88 0.52 -0.46 0.00 3.14 -0.76 -4.34 118.33 113.54 2dky n VAL 81 Ca -0.15 -0.61 0.38 0.00 -2.96 0.00 0.00 64.34 61.01 2dky n VAL 81 Cb 0.94 -0.22 0.59 0.00 -1.06 0.00 0.00 33.84 34.09 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 -2.49 0.00 -0.02 1.45 0.00 -0.94 0.39 117.12 115.51 2dky n MET 82 Ca -0.11 0.93 -0.09 0.00 0.00 0.00 0.00 57.70 58.43 2dky n MET 82 Cb 0.73 -2.21 -0.03 0.00 0.00 0.00 0.00 33.22 31.71 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 -0.26 0.03 3.17 1.63 -1.84 -2.98 116.57 116.32 2dky h LYS 83 Ca 0.68 0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 60.49 2dky h LYS 83 Cb 3.05 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 34.74 2dky h LYS 83 CO -0.01 -0.17 -0.01 -0.07 -3.45 0.00 0.00 179.45 175.73 2dky h LEU 84 N -0.27 -0.04 -9.38 5.20 -0.00 -0.40 -3.43 115.31 106.99 2dky h LEU 84 Ca 0.11 -0.53 -0.57 0.00 -0.00 0.00 0.00 57.88 56.89 2dky h LEU 84 Cb 0.44 0.01 0.03 0.00 -0.00 0.00 0.00 40.66 41.14 2dky h LEU 84 CO -0.33 0.53 1.10 1.21 -0.00 0.00 0.00 178.44 180.95 2dky n GLU 85 N -4.84 2.48 -3.81 1.13 4.07 -1.13 -4.97 120.64 113.58 2dky n GLU 85 Ca -0.09 0.91 -0.11 0.00 -0.06 0.00 0.00 57.16 57.81 2dky n GLU 85 Cb 0.28 -2.78 -0.08 0.00 -0.06 0.00 0.00 31.44 28.80 2dky n GLU 85 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2dky s SER 86 N 3.46 -0.02 0.00 4.31 0.15 -1.26 -4.82 113.70 115.52 2dky s SER 86 Ca 0.88 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 57.21 2dky s SER 86 Cb -0.58 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.05 2dky s SER 86 CO 0.44 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 174.90 2dky n GLY 87 N 0.60 -0.51 0.00 9.45 0.00 -1.26 -4.93 105.19 108.54 2dky n GLY 87 Ca -0.18 -0.96 0.08 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 0.39 -3.41 1.61 -0.04 -1.26 -4.75 135.00 127.54 2dky n PRO 88 Ca 0.00 0.05 -0.27 0.00 -0.04 0.00 0.00 63.50 63.24 2dky n PRO 88 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 2dky n PRO 88 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dky s SER 89 N -2.20 6.40 0.11 3.54 1.04 -1.26 -5.10 113.70 116.24 2dky s SER 89 Ca 0.20 0.60 -0.03 0.00 0.48 0.00 0.00 55.95 57.21 2dky s SER 89 Cb 0.10 -2.10 -0.05 0.00 0.10 0.00 0.00 66.02 64.08 2dky s SER 89 CO 0.20 -0.18 0.31 -0.55 0.98 0.00 0.00 173.24 173.99 2dky s SER 90 N -3.32 6.44 0.00 7.02 0.15 -1.26 -5.03 113.70 117.70 2dky s SER 90 Ca 0.42 0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.53 2dky s SER 90 Cb -0.11 -2.04 0.00 0.00 -1.71 0.00 0.00 66.02 62.17 2dky s SER 90 CO 0.31 0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.45