#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 3.62 -0.16 1.61 1.04 -1.26 -5.14 113.70 113.41 2dky s SER 2 Ca 0.00 -1.37 -0.03 0.00 0.48 0.00 0.00 55.95 55.03 2dky s SER 2 Cb 0.00 -0.34 0.05 0.00 0.10 0.00 0.00 66.02 65.83 2dky s SER 2 CO 0.00 -0.48 0.05 -0.44 0.98 0.00 0.00 173.24 173.35 2dky s SER 3 N -3.67 2.40 0.65 7.02 0.01 -1.26 -5.14 113.70 113.71 2dky s SER 3 Ca 0.35 -0.57 -0.15 0.00 1.31 0.00 0.00 55.95 56.88 2dky s SER 3 Cb 0.10 -0.43 -0.00 0.00 0.21 0.00 0.00 66.02 65.89 2dky s SER 3 CO 0.17 -0.30 1.12 -0.83 0.41 0.00 0.00 173.24 173.82 2dky s GLY 4 N 1.98 2.22 -0.19 3.44 0.00 -1.26 -4.99 107.32 108.52 2dky s GLY 4 Ca 0.01 0.60 -0.04 0.00 0.00 0.00 0.00 44.72 45.30 2dky s GLY 4 CO -0.07 0.96 -0.20 -1.14 0.00 0.00 0.00 173.10 172.65 2dky n SER 5 N -2.33 2.04 -3.88 1.64 3.41 -1.26 -5.02 113.62 108.22 2dky n SER 5 Ca 0.11 0.05 -0.28 0.00 -0.26 0.00 0.00 58.87 58.49 2dky n SER 5 Cb 0.52 -0.41 0.02 0.00 -0.26 0.00 0.00 64.21 64.08 2dky n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dky n SER 6 N -3.40 -3.58 -3.66 4.04 7.64 -1.26 -4.97 113.62 108.43 2dky n SER 6 Ca -0.34 -0.81 -0.07 0.00 1.01 0.00 0.00 58.87 58.65 2dky n SER 6 Cb 0.81 -3.82 -0.08 0.00 -1.01 0.00 0.00 64.21 60.10 2dky n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dky s GLY 7 N -3.63 -0.49 -0.29 0.23 0.00 -1.26 -5.11 107.32 96.76 2dky s GLY 7 Ca 0.47 1.89 -0.28 0.00 0.00 0.00 0.00 44.72 46.80 2dky s GLY 7 CO 0.83 2.36 1.99 1.06 0.00 0.00 0.00 173.10 179.34 2dky s MET 8 N 2.14 3.20 -0.04 2.90 -1.94 -1.26 -4.97 119.30 119.33 2dky s MET 8 Ca -0.06 1.66 0.01 0.00 -1.71 0.00 0.00 55.69 55.59 2dky s MET 8 Cb -0.10 -4.28 -0.03 0.00 2.01 0.00 0.00 34.83 32.43 2dky s MET 8 CO -0.16 -2.02 -0.06 0.00 -0.01 0.00 0.00 175.02 172.77 2dky s ARG 10 N -1.03 3.81 0.30 0.00 3.00 -1.26 -4.98 118.95 118.78 2dky s ARG 10 Ca 0.14 2.04 -0.08 0.00 0.00 0.00 0.00 55.73 57.84 2dky s ARG 10 Cb -0.11 -4.13 -0.06 0.00 0.00 0.00 0.00 34.95 30.65 2dky s ARG 10 CO 0.04 -1.31 0.61 0.15 0.00 0.00 0.00 175.30 174.79 2dky s LYS 11 N 4.86 3.72 -0.78 3.54 1.02 -1.26 -5.05 119.74 125.79 2dky s LYS 11 Ca 0.81 0.21 0.02 0.00 0.02 0.00 0.00 55.97 57.03 2dky s LYS 11 Cb -0.32 -2.58 0.19 0.00 -0.52 0.00 0.00 37.83 34.60 2dky s LYS 11 CO 0.33 0.18 0.61 0.15 -0.92 0.00 0.00 175.35 175.70 2dky s LYS 12 N -3.42 2.81 0.00 1.68 -0.14 -1.26 -4.90 119.74 114.52 2dky s LYS 12 Ca 0.47 -3.27 0.13 0.00 -1.36 0.00 0.00 55.97 51.95 2dky s LYS 12 Cb -0.11 -3.67 0.80 0.00 -1.68 0.00 0.00 37.83 33.18 2dky s LYS 12 CO 0.28 -1.27 1.23 -0.35 -0.76 0.00 0.00 175.35 174.48 2dky n PRO 13 N 2.22 0.49 -0.26 -1.68 -0.04 -1.26 -4.02 135.00 130.44 2dky n PRO 13 Ca 0.20 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.73 2dky n PRO 13 Cb 0.36 -1.43 0.16 0.00 -0.04 0.00 0.00 33.50 32.55 2dky n PRO 13 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2dky n ASP 14 N -0.93 -0.17 -3.06 3.54 -0.08 -1.26 -0.94 116.55 113.65 2dky n ASP 14 Ca 0.10 1.27 -0.26 0.00 -1.51 0.00 0.00 54.79 54.39 2dky n ASP 14 Cb 0.05 -0.42 -0.05 0.00 2.34 0.00 0.00 41.12 43.04 2dky n ASP 14 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2dky n THR 15 N -5.11 2.34 -0.11 5.18 -2.24 -1.26 -4.81 114.28 108.27 2dky n THR 15 Ca 0.15 -5.32 -0.20 0.00 -2.27 0.00 0.00 64.05 56.41 2dky n THR 15 Cb 0.48 -1.36 -0.12 0.00 -2.10 0.00 0.00 70.33 67.23 2dky n THR 15 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 2dky n MET 16 N 0.06 0.66 -0.04 -0.78 1.56 -0.11 -4.06 117.12 114.40 2dky n MET 16 Ca 0.30 0.18 -0.14 0.00 -0.27 0.00 0.00 57.70 57.77 2dky n MET 16 Cb 0.44 -1.55 -0.08 0.00 2.15 0.00 0.00 33.22 34.18 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 -0.10 1.39 0.26 1.12 1.08 -1.87 -3.08 117.51 116.30 2dky h ILE 17 Ca -0.57 -1.42 -0.00 0.00 -0.39 0.00 0.00 64.86 62.48 2dky h ILE 17 Cb 1.88 2.11 -0.02 0.00 -3.07 0.00 0.00 36.82 37.72 2dky h ILE 17 CO -0.10 0.40 -0.34 0.25 -0.69 0.00 0.00 178.15 177.67 2dky h LEU 18 N -0.18 -0.96 -0.87 1.44 6.46 -1.92 -2.75 115.31 116.53 2dky h LEU 18 Ca 0.01 0.08 0.16 0.00 -0.12 0.00 0.00 57.88 58.01 2dky h LEU 18 Cb 0.73 0.33 -0.16 0.00 -0.73 0.00 0.00 40.66 40.83 2dky h LEU 18 CO 0.04 -0.42 -0.30 0.71 -0.62 0.00 0.00 178.44 177.85 2dky h THR 19 N -0.62 0.08 -0.91 1.05 1.35 -1.71 0.15 112.91 112.31 2dky h THR 19 Ca -0.03 0.00 0.18 0.00 -0.55 0.00 0.00 66.41 66.01 2dky h THR 19 Cb 0.55 0.08 -0.17 0.00 -1.73 0.00 0.00 68.15 66.89 2dky h THR 19 CO -0.09 0.00 -0.23 1.67 -0.25 0.00 0.00 175.52 176.63 2dky n GLN 20 N -5.52 -0.08 0.36 4.72 -0.06 -1.04 -0.95 117.38 114.82 2dky n GLN 20 Ca 0.11 1.42 -0.14 0.00 -2.00 0.00 0.00 57.00 56.38 2dky n GLN 20 Cb 0.42 -2.12 -0.07 0.00 -4.06 0.00 0.00 30.24 24.41 2dky n GLN 20 CO 0.00 0.00 0.00 0.82 -0.20 0.00 0.00 177.06 177.68 2dky h ILE 21 N 0.00 0.00 -0.62 1.69 5.03 -0.67 0.12 117.51 123.07 2dky h ILE 21 Ca 0.44 -0.01 0.06 0.00 -0.12 0.00 0.00 64.86 65.23 2dky h ILE 21 Cb 0.66 0.00 -0.09 0.00 -3.03 0.00 0.00 36.82 34.37 2dky h ILE 21 CO -0.94 0.00 -0.48 -0.33 -0.68 0.00 0.00 178.15 175.72 2dky h GLU 22 N -0.94 -0.14 0.44 2.37 4.39 -0.93 -0.66 114.58 119.11 2dky h GLU 22 Ca -0.09 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 2dky h GLU 22 Cb 0.71 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.37 2dky h GLU 22 CO 0.16 -0.10 -0.48 0.00 -1.16 0.00 0.00 179.01 177.43 2dky h ALA 23 N 0.03 -1.12 -0.86 3.43 0.00 -1.07 -2.56 119.26 117.11 2dky h ALA 23 Ca 0.10 -0.17 0.18 0.00 0.00 0.00 0.00 54.91 55.02 2dky h ALA 23 Cb 0.41 0.73 -0.16 0.00 0.00 0.00 0.00 17.79 18.77 2dky h ALA 23 CO -0.66 -1.16 -0.17 1.17 0.00 0.00 0.00 179.25 178.43 2dky n LYS 24 N -5.33 -0.08 -0.16 0.00 0.00 0.43 0.12 118.16 113.15 2dky n LYS 24 Ca -0.11 1.32 -0.02 0.00 0.00 0.00 0.00 58.31 59.50 2dky n LYS 24 Cb 0.43 -2.00 0.06 0.00 0.00 0.00 0.00 35.03 33.52 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 0.14 0.77 1.64 4.39 -0.72 0.22 114.58 121.03 2dky h GLU 25 Ca 0.43 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 60.08 2dky h GLU 25 Cb 0.71 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.33 2dky h GLU 25 CO -0.87 0.09 -0.37 0.00 -1.16 0.00 0.00 179.01 176.71 2dky h ALA 26 N 1.43 -1.08 -0.31 3.43 0.00 0.11 -2.83 119.26 120.01 2dky h ALA 26 Ca 0.25 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.00 2dky h ALA 26 Cb 0.37 0.40 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 2dky h ALA 26 CO -0.39 -1.00 -0.41 0.00 0.00 0.00 0.00 179.25 177.44 2dky h ASP 28 N -0.37 0.38 0.23 0.00 3.58 -0.62 -1.09 116.42 118.51 2dky h ASP 28 Ca 0.12 0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.68 2dky h ASP 28 Cb 0.59 0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.72 2dky h ASP 28 CO -0.51 -0.05 -0.11 -0.25 -2.88 0.00 0.00 179.24 175.44 2dky h TRP 29 N 0.26 -0.28 -1.25 0.28 7.01 -0.49 -1.20 115.95 120.29 2dky h TRP 29 Ca 0.70 -0.01 0.41 0.00 2.11 0.00 0.00 58.89 62.10 2dky h TRP 29 Cb 1.94 0.09 -0.13 0.00 -2.10 0.00 0.00 29.16 28.97 2dky h TRP 29 CO -0.00 -0.03 0.79 -0.07 -2.79 0.00 0.00 178.44 176.33 2dky h LEU 30 N -1.03 0.29 0.00 0.65 3.38 0.17 2.19 115.31 120.96 2dky h LEU 30 Ca -0.03 0.14 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 2dky h LEU 30 Cb 0.37 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2dky h LEU 30 CO 0.05 -0.17 -0.95 -0.09 0.09 0.00 0.00 178.44 177.37 2dky h ARG 31 N 0.13 0.00 -0.54 1.13 1.12 -1.31 -0.17 114.38 114.73 2dky h ARG 31 Ca 0.79 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.66 2dky h ARG 31 Cb 2.38 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 32.34 2dky h ARG 31 CO -0.45 0.21 0.00 0.00 -3.11 0.00 0.00 179.97 176.62 2dky n ALA 32 N -2.26 2.75 -0.04 2.80 0.00 0.61 -4.43 120.51 119.94 2dky n ALA 32 Ca -0.03 -1.55 -0.06 0.00 0.00 0.00 0.00 53.44 51.81 2dky n ALA 32 Cb 0.70 -0.82 -0.04 0.00 0.00 0.00 0.00 19.45 19.29 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 0.84 0.46 0.00 0.00 5.66 0.57 -4.94 114.28 116.87 2dky n THR 33 Ca 0.22 -0.17 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 2dky n THR 33 Cb 0.74 -0.82 0.00 0.00 -1.55 0.00 0.00 70.33 68.70 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 3.09 0.22 3.04 1.09 0.00 -1.22 -5.08 105.19 106.33 2dky n GLY 34 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 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 3.68 -0.26 1.61 0.08 -0.09 -4.89 117.98 118.11 2dky s PHE 35 Ca 0.00 -3.08 0.27 0.00 0.12 0.00 0.00 56.93 54.25 2dky s PHE 35 Cb 0.00 -3.06 1.14 0.00 -0.57 0.00 0.00 43.02 40.53 2dky s PHE 35 CO 0.00 -0.70 1.81 -1.00 -0.10 0.00 0.00 175.22 175.23 2dky h PRO 36 N 6.03 0.00 -0.00 0.24 0.13 -1.81 -2.81 132.00 133.78 2dky h PRO 36 Ca 0.11 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.06 2dky h PRO 36 Cb 0.82 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.94 2dky h PRO 36 CO 0.78 0.00 -0.83 -0.56 -0.23 0.00 0.00 178.00 177.17 2dky h GLN 37 N 0.00 0.13 0.00 0.86 3.07 -1.90 -2.99 115.11 114.28 2dky h GLN 37 Ca 0.00 -0.13 0.00 0.00 0.09 0.00 0.00 58.65 58.61 2dky h GLN 37 Cb 0.40 0.04 0.00 0.00 0.08 0.00 0.00 27.48 28.00 2dky h GLN 37 CO 0.00 0.88 0.00 1.88 0.09 0.00 0.00 178.83 181.68 2dky h TYR 38 N 0.07 0.00 0.00 0.06 0.05 -1.81 -1.98 116.97 113.36 2dky h TYR 38 Ca -0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.75 2dky h TYR 38 Cb 1.44 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.18 2dky h TYR 38 CO 0.02 0.00 -0.84 0.00 -1.05 0.00 0.00 178.16 176.29 2dky h ALA 39 N 2.03 0.54 0.11 3.88 0.00 -1.61 -3.37 119.26 120.85 2dky h ALA 39 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.55 2dky h ALA 39 Cb 0.65 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2dky h ALA 39 CO 0.00 0.00 -2.00 0.94 0.00 0.00 0.00 179.25 178.19 2dky n GLN 40 N -2.53 0.75 -0.29 0.00 -0.06 -1.07 -3.63 117.38 110.55 2dky n GLN 40 Ca 0.01 0.27 0.11 0.00 -2.00 0.00 0.00 57.00 55.39 2dky n GLN 40 Cb 0.52 -1.70 0.26 0.00 -4.06 0.00 0.00 30.24 25.26 2dky n GLN 40 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 2dky h LEU 41 N 0.03 0.12 -0.40 1.69 3.38 -1.52 0.21 115.31 118.82 2dky h LEU 41 Ca -0.43 0.17 -0.18 0.00 0.09 0.00 0.00 57.88 57.52 2dky h LEU 41 Cb 2.00 0.20 -0.00 0.00 0.09 0.00 0.00 40.66 42.95 2dky h LEU 41 CO 0.07 -0.06 -0.66 0.22 0.09 0.00 0.00 178.44 178.09 2dky h TYR 42 N 0.30 0.72 0.00 1.13 5.03 -1.74 -1.21 116.97 121.20 2dky h TYR 42 Ca 0.51 -0.29 -0.00 0.00 2.58 0.00 0.00 58.73 61.53 2dky h TYR 42 Cb 0.97 -0.12 -0.00 0.00 1.55 0.00 0.00 36.73 39.13 2dky h TYR 42 CO -0.22 1.06 -0.01 0.93 -1.32 0.00 0.00 178.16 178.60 2dky h GLU 43 N 0.40 0.00 -0.46 1.82 4.39 -0.71 -0.12 114.58 119.90 2dky h GLU 43 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2dky h GLU 43 Cb 1.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 2dky h GLU 43 CO 0.12 0.01 0.00 -3.47 -1.16 0.00 0.00 179.01 174.51 2dky n ASP 44 N -3.14 3.60 -3.20 1.42 2.03 -0.34 -4.96 116.55 111.95 2dky n ASP 44 Ca -0.02 -2.00 -0.18 0.00 0.52 0.00 0.00 54.79 53.11 2dky n ASP 44 Cb 0.16 -0.30 0.08 0.00 -0.72 0.00 0.00 41.12 40.33 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 1.55 -2.24 -0.07 -0.67 3.01 -0.06 -4.93 117.46 114.05 2dky n PHE 45 Ca 0.21 0.87 -0.10 0.00 1.01 0.00 0.00 57.45 59.43 2dky n PHE 45 Cb 0.62 -4.68 -0.15 0.00 -0.01 0.00 0.00 39.48 35.26 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 -4.13 0.43 -4.46 4.37 4.77 -0.48 -4.98 117.00 112.53 2dky n LEU 46 Ca -0.13 0.13 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 2dky n LEU 46 Cb 0.60 0.32 0.14 0.00 -2.33 0.00 0.00 43.42 42.15 2dky n LEU 46 CO 0.56 0.48 0.06 0.49 -1.33 0.00 0.00 177.39 177.66 2dky n PHE 47 N -2.88 -0.95 -1.15 -1.77 3.01 -1.25 -4.69 117.46 107.78 2dky n PHE 47 Ca -0.28 0.25 -0.29 0.00 1.01 0.00 0.00 57.45 58.14 2dky n PHE 47 Cb 1.12 -1.81 0.19 0.00 -0.01 0.00 0.00 39.48 38.96 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 -3.86 0.09 0.37 -1.08 0.04 -1.26 -4.71 135.00 124.59 2dky s PRO 48 Ca 0.59 0.41 0.07 0.00 0.04 0.00 0.00 61.00 62.10 2dky s PRO 48 Cb -0.21 -1.71 -0.07 0.00 0.04 0.00 0.00 34.50 32.55 2dky s PRO 48 CO 0.65 -2.94 0.00 0.96 0.04 0.00 0.00 177.00 175.72 2dky s ILE 49 N -2.97 1.82 -0.72 0.56 -4.36 -1.26 -5.04 121.20 109.22 2dky s ILE 49 Ca 0.66 -2.03 -0.27 0.00 -0.26 0.00 0.00 60.65 58.75 2dky s ILE 49 Cb -0.17 -2.88 0.03 0.00 1.25 0.00 0.00 42.46 40.69 2dky s ILE 49 CO 0.57 -0.04 1.26 -1.81 0.24 0.00 0.00 174.94 175.16 2dky s ASP 50 N -3.63 6.19 0.08 4.36 1.01 -1.26 -4.88 116.67 118.53 2dky s ASP 50 Ca 0.35 -0.42 -0.21 0.00 0.71 0.00 0.00 52.55 52.97 2dky s ASP 50 Cb 0.08 -2.55 -0.12 0.00 1.01 0.00 0.00 42.92 41.34 2dky s ASP 50 CO 0.17 -1.79 1.60 0.40 0.21 0.00 0.00 175.17 175.76 2dky h ILE 51 N 6.04 1.16 0.00 0.77 1.08 -1.99 -2.14 117.51 122.43 2dky h ILE 51 Ca -0.28 -0.48 0.00 0.00 -0.39 0.00 0.00 64.86 63.71 2dky h ILE 51 Cb 1.05 1.24 0.00 0.00 -3.07 0.00 0.00 36.82 36.04 2dky h ILE 51 CO 1.27 0.14 0.32 0.77 -0.69 0.00 0.00 178.15 179.96 2dky h SER 52 N 0.04 0.00 0.00 1.72 4.64 -2.01 -1.06 113.55 116.88 2dky h SER 52 Ca 0.04 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.25 2dky h SER 52 Cb 0.18 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 2dky h SER 52 CO -0.00 0.00 -0.60 0.25 -0.87 0.00 0.00 176.83 175.61 2dky h LEU 53 N 0.00 0.00 -1.01 5.97 7.12 -1.80 -3.23 115.31 122.36 2dky h LEU 53 Ca 0.00 -0.77 0.29 0.00 0.13 0.00 0.00 57.88 57.53 2dky h LEU 53 Cb 0.63 -0.00 -0.14 0.00 -0.53 0.00 0.00 40.66 40.62 2dky h LEU 53 CO 0.00 1.23 0.59 0.58 -0.13 0.00 0.00 178.44 180.71 2dky h VAL 54 N -1.00 0.41 0.00 1.05 2.07 -0.86 1.03 116.25 118.95 2dky h VAL 54 Ca -0.17 -0.15 -0.11 0.00 0.82 0.00 0.00 66.70 67.10 2dky h VAL 54 Cb 1.15 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 2dky h VAL 54 CO -0.10 0.08 -0.51 0.11 0.02 0.00 0.00 177.57 177.17 2dky h LYS 55 N 0.44 0.00 -0.24 1.57 1.57 -1.65 -2.60 116.57 115.66 2dky h LYS 55 Ca 0.69 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 59.28 2dky h LYS 55 Cb 1.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.80 2dky h LYS 55 CO -0.54 0.51 -0.62 -0.09 -0.57 0.00 0.00 179.45 178.13 2dky h ARG 56 N 0.00 0.85 -0.04 3.15 1.12 0.10 0.37 114.38 119.94 2dky h ARG 56 Ca -0.01 -0.59 -0.01 0.00 -1.11 0.00 0.00 59.98 58.26 2dky h ARG 56 Cb 1.05 0.09 -0.00 0.00 -0.01 0.00 0.00 29.97 31.10 2dky h ARG 56 CO 0.07 1.22 -0.02 0.93 -3.11 0.00 0.00 179.97 179.05 2dky h GLU 57 N 0.62 0.08 -1.01 0.20 5.08 -1.09 -3.17 114.58 115.30 2dky h GLU 57 Ca -0.01 -0.04 -0.54 0.00 -1.00 0.00 0.00 59.36 57.77 2dky h GLU 57 Cb 1.24 -0.00 -0.29 0.00 0.50 0.00 0.00 28.75 30.20 2dky h GLU 57 CO 0.14 0.49 0.69 0.72 -1.00 0.00 0.00 179.01 180.05 2dky n HIS 58 N -4.82 3.00 0.20 4.33 8.25 -0.98 -4.60 115.22 120.61 2dky n HIS 58 Ca -0.08 -2.10 0.18 0.00 -0.26 0.00 0.00 57.72 55.46 2dky n HIS 58 Cb 0.25 -1.05 0.75 0.00 1.12 0.00 0.00 29.99 31.06 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 1.22 0.00 -0.31 0.41 3.58 -0.88 0.21 116.42 120.65 2dky h ASP 59 Ca 0.61 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.94 2dky h ASP 59 Cb 2.29 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 43.32 2dky h ASP 59 CO 1.19 0.00 -0.21 2.19 -2.88 0.00 0.00 179.24 179.53 2dky h PHE 60 N 0.00 0.89 -1.80 0.28 -0.00 -1.84 -3.45 116.94 111.02 2dky h PHE 60 Ca 0.11 -0.20 -0.52 0.00 -0.00 0.00 0.00 57.97 57.36 2dky h PHE 60 Cb 0.96 -0.21 0.24 0.00 -0.00 0.00 0.00 35.95 36.94 2dky h PHE 60 CO 0.00 0.93 -2.00 1.28 -0.00 0.00 0.00 178.31 178.52 2dky n LEU 61 N -4.12 -4.05 -4.87 2.10 4.77 0.73 -4.93 117.00 106.65 2dky n LEU 61 Ca 0.00 0.10 -0.31 0.00 -0.03 0.00 0.00 56.01 55.78 2dky n LEU 61 Cb 0.43 -0.73 -0.04 0.00 -2.33 0.00 0.00 43.42 40.75 2dky n LEU 61 CO 0.45 -4.27 0.47 -1.81 -1.33 0.00 0.00 177.39 170.90 2dky s ASP 62 N -1.17 6.58 0.25 -1.43 1.11 -1.26 -4.87 116.67 115.88 2dky s ASP 62 Ca 0.42 1.22 -0.05 0.00 0.18 0.00 0.00 52.55 54.32 2dky s ASP 62 Cb -0.07 -2.36 0.48 0.00 1.07 0.00 0.00 42.92 42.04 2dky s ASP 62 CO 0.74 -0.39 1.68 -0.09 1.18 0.00 0.00 175.17 178.29 2dky h ARG 63 N 1.39 0.25 -0.26 8.23 2.43 -1.95 0.84 114.38 125.31 2dky h ARG 63 Ca -0.47 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.67 2dky h ARG 63 Cb 1.18 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 2dky h ARG 63 CO 0.64 0.16 0.13 -0.44 -1.51 0.00 0.00 179.97 178.95 2dky h ASP 64 N 0.25 0.34 0.01 -3.80 5.19 -1.99 -0.49 116.42 115.94 2dky h ASP 64 Ca 0.43 -0.12 0.01 0.00 -0.62 0.00 0.00 57.03 56.73 2dky h ASP 64 Cb 0.74 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.15 2dky h ASP 64 CO -0.53 0.37 -0.08 0.00 -3.12 0.00 0.00 179.24 175.88 2dky h ALA 65 N 0.99 -0.09 0.96 3.45 0.00 -1.47 -2.79 119.26 120.31 2dky h ALA 65 Ca 0.09 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2dky h ALA 65 Cb 0.11 0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.04 2dky h ALA 65 CO -0.01 -0.57 -0.47 0.82 0.00 0.00 0.00 179.25 179.02 2dky h ILE 66 N -0.14 0.00 -0.79 0.00 1.08 -0.83 -1.16 117.51 115.68 2dky h ILE 66 Ca 0.03 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 64.71 2dky h ILE 66 Cb 0.17 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 33.77 2dky h ILE 66 CO -0.07 0.00 -0.02 -0.62 -0.69 0.00 0.00 178.15 176.75 2dky n GLU 67 N -5.52 -0.06 0.23 2.37 1.02 -0.20 -0.39 120.64 118.10 2dky n GLU 67 Ca -0.16 1.19 -0.11 0.00 -0.02 0.00 0.00 57.16 58.05 2dky n GLU 67 Cb 0.51 -1.87 -0.06 0.00 -0.02 0.00 0.00 31.44 30.01 2dky n GLU 67 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dky h ALA 68 N 1.57 -0.64 -0.90 0.62 0.00 -1.30 -2.96 119.26 115.66 2dky h ALA 68 Ca 0.46 -0.17 0.24 0.00 0.00 0.00 0.00 54.91 55.44 2dky h ALA 68 Cb 0.92 0.25 -0.17 0.00 0.00 0.00 0.00 17.79 18.79 2dky h ALA 68 CO -0.75 -0.62 -0.01 -0.11 0.00 0.00 0.00 179.25 177.75 2dky n LEU 69 N -5.21 -0.13 -0.30 0.00 7.94 0.48 0.20 117.00 119.98 2dky n LEU 69 Ca -0.09 1.53 -0.05 0.00 -1.11 0.00 0.00 56.01 56.29 2dky n LEU 69 Cb 0.28 -0.55 0.07 0.00 0.53 0.00 0.00 43.42 43.75 2dky n LEU 69 CO 0.23 -1.54 1.08 0.00 -1.11 0.00 0.00 177.39 176.05 2dky h ARG 71 N 1.19 0.00 0.03 0.00 2.47 0.25 0.81 114.38 119.13 2dky h ARG 71 Ca 0.28 0.00 -0.37 0.00 -1.26 0.00 0.00 59.98 58.63 2dky h ARG 71 Cb 0.17 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.44 2dky h ARG 71 CO -0.03 0.00 -2.24 0.54 0.56 0.00 0.00 179.97 178.80 2dky n ARG 72 N -3.00 0.69 0.24 0.04 5.12 -0.69 -4.04 116.66 115.02 2dky n ARG 72 Ca -0.01 0.17 -0.12 0.00 -1.93 0.00 0.00 57.85 55.95 2dky n ARG 72 Cb 0.35 -1.60 -0.06 0.00 -1.16 0.00 0.00 32.46 29.98 2dky n ARG 72 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2dky h LEU 73 N 0.02 -0.56 -0.84 0.55 3.38 -0.45 -3.14 115.31 114.27 2dky h LEU 73 Ca -0.50 -0.05 0.21 0.00 0.09 0.00 0.00 57.88 57.62 2dky h LEU 73 Cb 2.02 0.14 -0.13 0.00 0.09 0.00 0.00 40.66 42.78 2dky h LEU 73 CO 0.00 -0.15 0.25 -0.55 0.09 0.00 0.00 178.44 178.08 2dky h ASN 74 N -1.08 0.08 -0.56 -0.43 7.08 -1.17 0.12 115.58 119.62 2dky h ASN 74 Ca -0.07 0.17 0.11 0.00 -3.08 0.00 0.00 56.30 53.44 2dky h ASN 74 Cb 0.58 0.21 -0.09 0.00 -2.08 0.00 0.00 38.32 36.94 2dky h ASN 74 CO 0.11 -0.08 0.02 0.74 -2.08 0.00 0.00 177.43 176.14 2dky h THR 75 N 0.27 0.57 -0.14 6.14 2.02 -1.69 -1.10 112.91 118.97 2dky h THR 75 Ca 0.51 -0.05 -0.19 0.00 0.77 0.00 0.00 66.41 67.45 2dky h THR 75 Cb 0.96 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 2dky h THR 75 CO -0.58 0.03 -0.69 -0.07 0.37 0.00 0.00 175.52 174.57 2dky h LEU 76 N 0.14 0.71 -1.81 2.58 3.38 -0.85 -0.52 115.31 118.94 2dky h LEU 76 Ca 0.29 -0.44 0.15 0.00 0.09 0.00 0.00 57.88 57.97 2dky h LEU 76 Cb 0.45 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2dky h LEU 76 CO -0.46 1.20 0.44 0.78 0.09 0.00 0.00 178.44 180.49 2dky h ASN 77 N 0.43 0.18 0.16 -0.43 2.35 0.33 0.60 115.58 119.19 2dky h ASN 77 Ca -0.03 0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.62 2dky h ASN 77 Cb 1.28 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 39.61 2dky h ASN 77 CO 0.13 0.09 -1.95 2.29 -1.65 0.00 0.00 177.43 176.34 2dky n LYS 78 N -4.42 0.66 0.00 0.81 2.85 -0.66 -3.75 118.16 113.65 2dky n LYS 78 Ca 0.12 -0.08 0.13 0.00 -1.05 0.00 0.00 58.31 57.43 2dky n LYS 78 Cb 0.57 -1.58 0.45 0.00 -0.65 0.00 0.00 35.03 33.83 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 -1.27 1.33 0.12 0.00 0.00 0.20 -4.40 120.51 116.49 2dky n ALA 80 Ca 0.09 -1.01 0.06 0.00 0.00 0.00 0.00 53.44 52.57 2dky n ALA 80 Cb 0.32 -0.25 0.02 0.00 0.00 0.00 0.00 19.45 19.54 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 0.02 0.40 -1.39 0.00 3.04 -1.67 -3.34 116.25 113.29 2dky h VAL 81 Ca -0.54 -1.63 0.45 0.00 -1.01 0.00 0.00 66.70 63.97 2dky h VAL 81 Cb 1.97 2.04 -0.11 0.00 -2.01 0.00 0.00 31.29 33.18 2dky h VAL 81 CO -0.04 0.23 0.94 1.15 -1.01 0.00 0.00 177.57 178.84 2dky n MET 82 N -3.00 -0.02 -0.35 4.17 0.00 -0.96 -0.13 117.12 116.83 2dky n MET 82 Ca -0.01 1.05 0.09 0.00 0.00 0.00 0.00 57.70 58.84 2dky n MET 82 Cb 0.68 -2.19 0.19 0.00 0.00 0.00 0.00 33.22 31.90 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 -4.20 -0.08 0.14 3.17 3.00 -1.26 -1.35 118.16 117.57 2dky n LYS 83 Ca 0.37 1.51 -0.07 0.00 -0.00 0.00 0.00 58.31 60.12 2dky n LYS 83 Cb 1.52 -2.30 -0.03 0.00 0.00 0.00 0.00 35.03 34.21 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 -0.44 -8.45 3.14 -0.00 -0.86 -3.41 115.31 105.28 2dky h LEU 84 Ca 0.52 0.03 -0.66 0.00 -0.00 0.00 0.00 57.88 57.77 2dky h LEU 84 Cb 0.90 0.13 -0.27 0.00 -0.00 0.00 0.00 40.66 41.43 2dky h LEU 84 CO -0.98 -0.26 -0.71 -1.83 -0.00 0.00 0.00 178.44 174.67 2dky s GLU 85 N -4.00 3.43 1.09 1.13 -1.05 -0.46 -5.10 118.70 113.75 2dky s GLU 85 Ca -0.06 -0.60 -0.19 0.00 -0.15 0.00 0.00 54.97 53.97 2dky s GLU 85 Cb 0.01 -3.06 0.10 0.00 -0.44 0.00 0.00 34.13 30.74 2dky s GLU 85 CO 0.21 -0.18 -0.06 0.43 0.95 0.00 0.00 175.26 176.60 2dky n SER 86 N 4.78 -2.61 -4.09 0.83 7.64 -1.22 -4.60 113.62 114.35 2dky n SER 86 Ca -0.18 -0.20 -0.36 0.00 1.01 0.00 0.00 58.87 59.15 2dky n SER 86 Cb 0.51 -0.86 -0.08 0.00 -1.01 0.00 0.00 64.21 62.77 2dky n SER 86 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dky s GLY 87 N -1.81 2.90 0.03 0.23 0.00 -1.26 -4.88 107.32 102.52 2dky s GLY 87 Ca 0.50 -3.67 0.15 0.00 0.00 0.00 0.00 44.72 41.70 2dky s GLY 87 CO 0.58 1.16 1.48 -1.55 0.00 0.00 0.00 173.10 174.78 2dky n PRO 88 N 2.67 0.02 -3.09 2.90 -0.04 -1.26 -4.76 135.00 131.44 2dky n PRO 88 Ca 0.17 0.27 -0.19 0.00 -0.04 0.00 0.00 63.50 63.71 2dky n PRO 88 Cb 0.37 -1.54 0.01 0.00 -0.04 0.00 0.00 33.50 32.30 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 -3.14 5.72 -0.29 3.54 1.04 -1.26 -5.12 113.70 114.19 2dky s SER 89 Ca 0.07 -0.17 -0.19 0.00 0.48 0.00 0.00 55.95 56.14 2dky s SER 89 Cb 0.09 -1.01 0.14 0.00 0.10 0.00 0.00 66.02 65.34 2dky s SER 89 CO 0.27 -0.71 1.03 -0.94 0.98 0.00 0.00 173.24 173.87 2dky s SER 90 N -4.29 -0.45 0.00 7.02 1.04 -1.26 -5.24 113.70 110.52 2dky s SER 90 Ca 0.51 0.76 0.00 0.00 0.48 0.00 0.00 55.95 57.70 2dky s SER 90 Cb -0.10 1.04 0.00 0.00 0.10 0.00 0.00 66.02 67.06 2dky s SER 90 CO 0.34 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 175.05