#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 -0.61 -0.36 1.61 0.01 -1.26 -5.13 113.70 107.96 2dky s SER 2 Ca 0.00 1.04 -0.25 0.00 1.31 0.00 0.00 55.95 58.05 2dky s SER 2 Cb 0.00 0.93 0.01 0.00 0.21 0.00 0.00 66.02 67.17 2dky s SER 2 CO 0.00 -0.20 0.88 -0.55 0.41 0.00 0.00 173.24 173.77 2dky s SER 3 N 1.35 6.65 0.00 2.44 0.15 -1.26 -4.89 113.70 118.14 2dky s SER 3 Ca -0.09 0.54 0.00 0.00 0.70 0.00 0.00 55.95 57.10 2dky s SER 3 Cb -0.07 -2.44 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 2dky s SER 3 CO -0.13 -0.80 0.00 0.61 1.20 0.00 0.00 173.24 174.12 2dky n GLY 4 N 4.39 3.34 3.72 9.45 0.00 -1.26 -5.11 105.19 119.71 2dky n GLY 4 Ca 0.06 -1.93 -0.29 0.00 0.00 0.00 0.00 46.02 43.86 2dky n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dky s SER 5 N 0.00 5.14 1.01 1.61 1.04 -1.26 -5.10 113.70 116.14 2dky s SER 5 Ca 0.00 -0.19 -0.14 0.00 0.48 0.00 0.00 55.95 56.09 2dky s SER 5 Cb 0.00 -1.24 0.08 0.00 0.10 0.00 0.00 66.02 64.95 2dky s SER 5 CO 0.00 0.13 0.35 -1.20 0.98 0.00 0.00 173.24 173.50 2dky n SER 6 N 0.21 -2.03 -3.70 7.02 7.64 -1.26 -5.00 113.62 116.50 2dky n SER 6 Ca -0.10 0.17 -0.30 0.00 1.01 0.00 0.00 58.87 59.66 2dky n SER 6 Cb 0.53 -1.15 -0.13 0.00 -1.01 0.00 0.00 64.21 62.45 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 -2.01 1.42 -0.06 0.23 0.00 -1.26 -5.11 107.32 100.53 2dky s GLY 7 Ca 0.58 -2.26 -0.18 0.00 0.00 0.00 0.00 44.72 42.86 2dky s GLY 7 CO 0.66 1.61 0.49 -0.29 0.00 0.00 0.00 173.10 175.58 2dky s MET 8 N 0.79 4.25 -0.21 2.90 -2.45 -1.26 -5.06 119.30 118.26 2dky s MET 8 Ca 0.15 0.51 -0.03 0.00 -1.25 0.00 0.00 55.69 55.08 2dky s MET 8 Cb -0.22 -3.37 0.06 0.00 1.25 0.00 0.00 34.83 32.56 2dky s MET 8 CO -0.07 0.33 0.05 0.00 1.05 0.00 0.00 175.02 176.38 2dky n ARG 10 N 5.05 3.37 -5.05 0.00 1.74 -1.26 -5.04 116.66 115.48 2dky n ARG 10 Ca -0.08 -4.78 -0.32 0.00 -0.77 0.00 0.00 57.85 51.90 2dky n ARG 10 Cb 0.47 -2.29 -0.14 0.00 -1.02 0.00 0.00 32.46 29.48 2dky n ARG 10 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2dky s LYS 11 N -3.27 2.44 -0.75 5.56 1.02 -1.26 -5.08 119.74 118.40 2dky s LYS 11 Ca 0.44 -0.79 0.04 0.00 0.02 0.00 0.00 55.97 55.68 2dky s LYS 11 Cb 0.22 -2.27 0.19 0.00 -0.52 0.00 0.00 37.83 35.46 2dky s LYS 11 CO -0.09 0.56 0.61 1.63 -0.92 0.00 0.00 175.35 177.13 2dky n LYS 12 N 2.48 2.14 -1.18 1.68 5.02 -1.26 -5.09 118.16 121.95 2dky n LYS 12 Ca -0.17 -4.52 -0.29 0.00 -2.02 0.00 0.00 58.31 51.31 2dky n LYS 12 Cb 0.52 -2.32 0.16 0.00 -0.02 0.00 0.00 35.03 33.37 2dky n LYS 12 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2dky s PRO 13 N -1.61 0.73 0.26 1.97 0.04 -1.26 -5.04 135.00 130.09 2dky s PRO 13 Ca 0.28 0.63 0.03 0.00 0.04 0.00 0.00 61.00 61.97 2dky s PRO 13 Cb -0.02 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.72 2dky s PRO 13 CO -0.14 -2.55 0.42 -0.51 0.04 0.00 0.00 177.00 174.26 2dky s ASP 14 N -3.45 6.32 -1.30 6.66 1.01 -1.26 -4.41 116.67 120.24 2dky s ASP 14 Ca 0.65 0.24 -0.15 0.00 0.71 0.00 0.00 52.55 53.99 2dky s ASP 14 Cb -0.18 -1.93 0.15 0.00 1.01 0.00 0.00 42.92 41.97 2dky s ASP 14 CO 0.57 -0.13 0.38 0.35 0.21 0.00 0.00 175.17 176.56 2dky n THR 15 N -1.38 -0.06 -0.27 -1.27 -2.24 -1.26 -4.70 114.28 103.10 2dky n THR 15 Ca -0.07 -0.03 0.23 0.00 -2.27 0.00 0.00 64.05 61.91 2dky n THR 15 Cb 0.56 -0.38 0.55 0.00 -2.10 0.00 0.00 70.33 68.96 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 -0.64 0.31 -0.57 -0.78 -0.00 -2.00 0.16 114.93 111.42 2dky h MET 16 Ca -0.42 -0.02 -0.05 0.00 -0.00 0.00 0.00 59.70 59.21 2dky h MET 16 Cb 0.98 -0.07 -0.02 0.00 -0.00 0.00 0.00 31.60 32.48 2dky h MET 16 CO 0.62 0.21 0.17 0.82 -0.00 0.00 0.00 176.91 178.72 2dky h ILE 17 N 0.32 1.24 0.15 -0.10 5.03 -1.96 -0.84 117.51 121.35 2dky h ILE 17 Ca 0.52 -0.83 -0.01 0.00 -0.12 0.00 0.00 64.86 64.42 2dky h ILE 17 Cb 1.44 0.70 0.00 0.00 -3.03 0.00 0.00 36.82 35.94 2dky h ILE 17 CO -0.19 0.31 -0.07 0.25 -0.68 0.00 0.00 178.15 177.77 2dky h LEU 18 N 0.80 -0.17 0.21 1.44 6.46 -1.10 -3.28 115.31 119.68 2dky h LEU 18 Ca 0.18 -0.36 0.01 0.00 -0.12 0.00 0.00 57.88 57.59 2dky h LEU 18 Cb 0.30 0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.23 2dky h LEU 18 CO -0.00 0.33 -0.42 0.74 -0.62 0.00 0.00 178.44 178.47 2dky h THR 19 N -0.73 0.15 -0.76 1.05 2.02 -1.15 -2.07 112.91 111.42 2dky h THR 19 Ca -0.02 0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.40 2dky h THR 19 Cb 0.52 0.15 -0.14 0.00 -1.74 0.00 0.00 68.15 66.94 2dky h THR 19 CO 0.03 0.00 0.13 1.67 0.37 0.00 0.00 175.52 177.72 2dky n GLN 20 N -5.48 -0.06 0.19 6.66 7.27 -0.32 -0.56 117.38 125.07 2dky n GLN 20 Ca -0.08 1.12 -0.07 0.00 0.07 0.00 0.00 57.00 58.03 2dky n GLN 20 Cb 0.39 -1.84 -0.04 0.00 2.41 0.00 0.00 30.24 31.17 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 -0.02 1.69 2.04 -1.43 0.29 117.51 120.08 2dky h ILE 21 Ca 0.52 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.39 2dky h ILE 21 Cb 1.17 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 2dky h ILE 21 CO -0.68 0.00 -0.28 -0.33 0.00 0.00 0.00 178.15 176.86 2dky h GLU 22 N -0.48 -0.32 -0.61 2.37 4.39 -0.74 -1.50 114.58 117.69 2dky h GLU 22 Ca -0.05 0.02 0.13 0.00 0.34 0.00 0.00 59.36 59.80 2dky h GLU 22 Cb 0.37 0.07 -0.11 0.00 -0.10 0.00 0.00 28.75 28.98 2dky h GLU 22 CO 0.08 -0.21 -0.09 0.00 -1.16 0.00 0.00 179.01 177.62 2dky h ALA 23 N -0.93 0.49 -0.64 3.43 0.00 -1.14 -0.65 119.26 119.83 2dky h ALA 23 Ca 0.01 0.22 0.13 0.00 0.00 0.00 0.00 54.91 55.27 2dky h ALA 23 Cb 0.36 0.41 -0.12 0.00 0.00 0.00 0.00 17.79 18.45 2dky h ALA 23 CO -0.19 -0.42 -0.12 -0.22 0.00 0.00 0.00 179.25 178.29 2dky h LYS 24 N 0.04 0.02 -0.54 0.00 1.63 0.18 0.73 116.57 118.63 2dky h LYS 24 Ca 0.31 -0.00 0.07 0.00 -0.85 0.00 0.00 60.65 60.17 2dky h LYS 24 Cb 0.48 -0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 32.05 2dky h LYS 24 CO -0.59 0.02 0.22 0.93 -3.45 0.00 0.00 179.45 176.57 2dky h GLU 25 N 0.02 0.41 0.45 1.90 5.08 -0.11 -0.40 114.58 121.93 2dky h GLU 25 Ca 0.32 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.63 2dky h GLU 25 Cb 0.50 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2dky h GLU 25 CO -0.64 0.27 -0.21 0.00 -1.00 0.00 0.00 179.01 177.43 2dky h ALA 26 N 1.34 -0.60 0.20 3.43 0.00 -0.60 -2.51 119.26 120.53 2dky h ALA 26 Ca 0.26 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2dky h ALA 26 Cb 0.26 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2dky h ALA 26 CO -0.24 -0.82 -0.46 0.00 0.00 0.00 0.00 179.25 177.73 2dky h ASP 28 N -0.75 0.34 0.39 0.00 3.58 -1.08 -0.43 116.42 118.47 2dky h ASP 28 Ca -0.00 0.20 -0.02 0.00 0.42 0.00 0.00 57.03 57.63 2dky h ASP 28 Cb 0.74 0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.98 2dky h ASP 28 CO -0.22 -0.16 -0.19 -0.25 -2.88 0.00 0.00 179.24 175.55 2dky h TRP 29 N 0.27 -0.48 -1.28 0.28 7.01 -0.82 0.34 115.95 121.27 2dky h TRP 29 Ca 0.69 -0.01 0.44 0.00 2.11 0.00 0.00 58.89 62.11 2dky h TRP 29 Cb 1.53 0.16 -0.14 0.00 -2.10 0.00 0.00 29.16 28.61 2dky h TRP 29 CO -0.09 -0.30 0.81 -0.07 -2.79 0.00 0.00 178.44 175.99 2dky h LEU 30 N -0.92 0.26 0.00 0.65 3.38 -0.00 2.24 115.31 120.91 2dky h LEU 30 Ca -0.05 0.16 -0.23 0.00 0.09 0.00 0.00 57.88 57.85 2dky h LEU 30 Cb 0.40 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 2dky h LEU 30 CO 0.09 -0.23 -1.43 -0.09 0.09 0.00 0.00 178.44 176.87 2dky h ARG 31 N 0.07 0.00 -0.42 1.13 2.43 -1.11 0.21 114.38 116.69 2dky h ARG 31 Ca 0.83 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 60.00 2dky h ARG 31 Cb 2.55 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 32.10 2dky h ARG 31 CO -0.48 0.48 0.00 0.00 -1.51 0.00 0.00 179.97 178.46 2dky n ALA 32 N -2.45 2.44 -0.07 2.80 0.00 0.48 -4.15 120.51 119.56 2dky n ALA 32 Ca -0.11 -0.88 -0.09 0.00 0.00 0.00 0.00 53.44 52.36 2dky n ALA 32 Cb 0.94 -0.96 -0.07 0.00 0.00 0.00 0.00 19.45 19.36 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 1.05 0.82 0.00 0.00 5.66 0.64 -4.95 114.28 117.50 2dky n THR 33 Ca 0.18 -0.36 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 2dky n THR 33 Cb 0.47 -0.94 0.00 0.00 -1.55 0.00 0.00 70.33 68.32 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 2.69 0.26 3.06 1.09 0.00 -1.21 -5.08 105.19 106.00 2dky n GLY 34 Ca -0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 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 3.82 -1.43 1.61 0.08 0.75 -4.88 117.98 117.93 2dky s PHE 35 Ca 0.00 -3.10 0.15 0.00 0.12 0.00 0.00 56.93 54.09 2dky s PHE 35 Cb 0.00 -3.12 0.74 0.00 -0.57 0.00 0.00 43.02 40.07 2dky s PHE 35 CO 0.00 -0.69 1.40 -0.35 -0.10 0.00 0.00 175.22 175.48 2dky n PRO 36 N 2.26 0.21 0.01 0.24 -0.04 -1.19 -2.54 135.00 133.94 2dky n PRO 36 Ca 0.21 0.15 -0.16 0.00 -0.04 0.00 0.00 63.50 63.66 2dky n PRO 36 Cb 0.36 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.18 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 0.17 0.00 0.54 3.07 -1.90 -3.20 115.11 113.79 2dky h GLN 37 Ca 0.00 -0.29 -0.04 0.00 0.09 0.00 0.00 58.65 58.41 2dky h GLN 37 Cb 0.14 0.11 -0.01 0.00 0.08 0.00 0.00 27.48 27.80 2dky h GLN 37 CO 0.00 0.94 -0.21 1.88 0.09 0.00 0.00 178.83 181.52 2dky h TYR 38 N 0.05 0.00 0.00 0.06 0.05 -1.80 -1.56 116.97 113.76 2dky h TYR 38 Ca -0.33 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.40 2dky h TYR 38 Cb 2.02 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.75 2dky h TYR 38 CO 0.05 0.21 -0.75 0.00 -1.05 0.00 0.00 178.16 176.62 2dky h ALA 39 N 1.79 0.69 0.12 3.88 0.00 -1.69 -3.33 119.26 120.71 2dky h ALA 39 Ca -0.00 -0.24 -0.28 0.00 0.00 0.00 0.00 54.91 54.38 2dky h ALA 39 Cb 0.44 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2dky h ALA 39 CO 0.03 0.29 -1.30 0.37 0.00 0.00 0.00 179.25 178.64 2dky h GLN 40 N 0.00 0.25 -0.35 0.00 5.75 -1.39 -3.19 115.11 116.18 2dky h GLN 40 Ca -0.03 -0.43 0.06 0.00 -0.15 0.00 0.00 58.65 58.10 2dky h GLN 40 Cb 1.18 0.16 -0.06 0.00 1.07 0.00 0.00 27.48 29.84 2dky h GLN 40 CO 0.02 1.18 0.01 -0.07 -2.65 0.00 0.00 178.83 177.32 2dky h LEU 41 N 0.07 -0.13 -0.99 -2.39 3.38 -1.42 -1.45 115.31 112.38 2dky h LEU 41 Ca -0.15 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 2dky h LEU 41 Cb 1.97 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.84 2dky h LEU 41 CO 0.19 -0.03 -0.10 0.22 0.09 0.00 0.00 178.44 178.81 2dky h TYR 42 N 0.11 0.66 -0.02 1.13 5.03 -1.70 -0.83 116.97 121.34 2dky h TYR 42 Ca 0.17 -0.10 -0.00 0.00 2.58 0.00 0.00 58.73 61.38 2dky h TYR 42 Cb 0.23 -0.18 -0.00 0.00 1.55 0.00 0.00 36.73 38.34 2dky h TYR 42 CO -0.24 0.69 0.01 0.93 -1.32 0.00 0.00 178.16 178.23 2dky h GLU 43 N 0.56 0.03 -0.25 1.82 4.39 -1.27 0.49 114.58 120.34 2dky h GLU 43 Ca 0.10 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2dky h GLU 43 Cb 0.51 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2dky h GLU 43 CO 0.03 0.03 0.00 -3.47 -1.16 0.00 0.00 179.01 174.44 2dky n ASP 44 N -4.53 2.54 -2.83 1.42 -0.08 -0.81 -4.94 116.55 107.31 2dky n ASP 44 Ca -0.03 -1.85 -0.15 0.00 -1.51 0.00 0.00 54.79 51.25 2dky n ASP 44 Cb 0.10 -0.16 0.07 0.00 2.34 0.00 0.00 41.12 43.46 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 0.91 -1.85 -0.01 -0.67 3.01 0.16 -4.94 117.46 114.06 2dky n PHE 45 Ca 0.17 0.73 -0.04 0.00 1.01 0.00 0.00 57.45 59.33 2dky n PHE 45 Cb 0.47 -4.23 -0.12 0.00 -0.01 0.00 0.00 39.48 35.59 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 -3.57 0.61 -4.68 4.37 4.77 -0.36 -4.95 117.00 113.19 2dky n LEU 46 Ca -0.13 0.28 -0.31 0.00 -0.03 0.00 0.00 56.01 55.81 2dky n LEU 46 Cb 0.60 0.19 0.16 0.00 -2.33 0.00 0.00 43.42 42.03 2dky n LEU 46 CO 0.47 0.28 0.69 -0.36 -1.33 0.00 0.00 177.39 177.14 2dky s PHE 47 N -2.79 1.67 0.79 -1.77 0.40 -1.26 -4.59 117.98 110.44 2dky s PHE 47 Ca -0.05 1.78 -0.11 0.00 -0.60 0.00 0.00 56.93 57.95 2dky s PHE 47 Cb 0.08 -3.35 0.07 0.00 0.51 0.00 0.00 43.02 40.33 2dky s PHE 47 CO 0.83 -2.78 1.09 -1.25 0.70 0.00 0.00 175.22 173.81 2dky s PRO 48 N -4.61 2.13 0.43 0.24 0.04 -1.26 -4.70 135.00 127.27 2dky s PRO 48 Ca 0.67 1.13 0.07 0.00 0.04 0.00 0.00 61.00 62.91 2dky s PRO 48 Cb -0.23 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 2dky s PRO 48 CO 0.57 -1.72 0.19 0.96 0.04 0.00 0.00 177.00 177.04 2dky s ILE 49 N -2.91 2.22 -0.85 0.56 -4.36 -1.26 -5.05 121.20 109.55 2dky s ILE 49 Ca 0.61 -1.69 -0.23 0.00 -0.26 0.00 0.00 60.65 59.09 2dky s ILE 49 Cb -0.17 -2.90 0.06 0.00 1.25 0.00 0.00 42.46 40.70 2dky s ILE 49 CO 0.56 0.00 1.24 -0.62 0.24 0.00 0.00 174.94 176.36 2dky s ASP 50 N -3.94 6.35 0.27 4.36 -1.08 -1.26 -4.86 116.67 116.51 2dky s ASP 50 Ca 0.39 -1.17 -0.01 0.00 -0.52 0.00 0.00 52.55 51.24 2dky s ASP 50 Cb 0.03 -2.51 0.46 0.00 -1.46 0.00 0.00 42.92 39.45 2dky s ASP 50 CO 0.22 -1.52 1.85 0.40 0.52 0.00 0.00 175.17 176.65 2dky h ILE 51 N 6.23 1.00 -0.72 4.11 1.08 -1.98 -0.70 117.51 126.52 2dky h ILE 51 Ca -0.05 -0.36 0.13 0.00 -0.39 0.00 0.00 64.86 64.19 2dky h ILE 51 Cb 1.04 -0.15 -0.05 0.00 -3.07 0.00 0.00 36.82 34.59 2dky h ILE 51 CO 1.28 0.19 0.48 0.77 -0.69 0.00 0.00 178.15 180.18 2dky h SER 52 N 1.06 0.43 -0.32 1.72 4.64 -2.01 -1.17 113.55 117.89 2dky h SER 52 Ca 0.46 0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.71 2dky h SER 52 Cb 0.32 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 2dky h SER 52 CO -0.22 0.24 -0.14 -0.07 -0.87 0.00 0.00 176.83 175.77 2dky h LEU 53 N 0.47 0.69 -0.95 5.97 -0.00 -1.53 -1.77 115.31 118.18 2dky h LEU 53 Ca 0.35 -0.40 0.23 0.00 -0.00 0.00 0.00 57.88 58.06 2dky h LEU 53 Cb 0.71 -0.19 -0.12 0.00 -0.00 0.00 0.00 40.66 41.06 2dky h LEU 53 CO -0.11 0.93 0.51 0.58 -0.00 0.00 0.00 178.44 180.35 2dky h VAL 54 N 0.44 0.53 0.17 1.22 2.07 -1.06 0.31 116.25 119.93 2dky h VAL 54 Ca 0.07 -0.18 -0.28 0.00 0.82 0.00 0.00 66.70 67.14 2dky h VAL 54 Cb 0.66 -0.04 0.03 0.00 -1.52 0.00 0.00 31.29 30.43 2dky h VAL 54 CO 0.04 0.09 -1.20 0.11 0.02 0.00 0.00 177.57 176.64 2dky h LYS 55 N 0.52 0.51 -0.10 1.57 1.57 -1.45 -1.30 116.57 117.89 2dky h LYS 55 Ca 0.60 -0.78 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2dky h LYS 55 Cb 1.13 0.28 -0.00 0.00 0.08 0.00 0.00 32.23 33.71 2dky h LYS 55 CO -0.49 1.36 0.06 -0.09 -0.57 0.00 0.00 179.45 179.72 2dky h ARG 56 N 0.06 0.13 0.12 3.15 2.43 -0.19 1.23 114.38 121.31 2dky h ARG 56 Ca -0.20 -0.01 -0.31 0.00 -0.81 0.00 0.00 59.98 58.65 2dky h ARG 56 Cb 1.92 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.43 2dky h ARG 56 CO 0.23 0.09 -1.63 0.93 -1.51 0.00 0.00 179.97 178.08 2dky h GLU 57 N 0.13 0.25 -0.85 0.20 4.39 -0.51 -3.36 114.58 114.83 2dky h GLU 57 Ca 0.03 -0.44 -0.51 0.00 0.34 0.00 0.00 59.36 58.79 2dky h GLU 57 Cb -0.00 0.16 -0.27 0.00 -0.10 0.00 0.00 28.75 28.53 2dky h GLU 57 CO -0.01 1.21 0.46 0.72 -1.16 0.00 0.00 179.01 180.23 2dky n HIS 58 N -3.78 2.72 -0.22 4.33 8.25 -0.49 -4.67 115.22 121.36 2dky n HIS 58 Ca -0.28 -2.22 0.24 0.00 -0.26 0.00 0.00 57.72 55.20 2dky n HIS 58 Cb 0.95 -0.97 0.61 0.00 1.12 0.00 0.00 29.99 31.70 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 1.42 0.23 -0.71 0.41 3.04 0.14 -0.31 116.42 120.62 2dky h ASP 59 Ca 0.53 0.03 0.14 0.00 -3.24 0.00 0.00 57.03 54.48 2dky h ASP 59 Cb 1.87 -0.01 -0.09 0.00 -1.04 0.00 0.00 39.33 40.05 2dky h ASP 59 CO 1.10 0.08 0.24 2.19 -2.04 0.00 0.00 179.24 180.81 2dky h PHE 60 N 0.22 0.40 -1.87 4.15 -0.00 -1.83 -3.43 116.94 114.59 2dky h PHE 60 Ca 0.46 0.04 -0.53 0.00 -0.00 0.00 0.00 57.97 57.94 2dky h PHE 60 Cb 1.44 -0.07 0.24 0.00 -0.00 0.00 0.00 35.95 37.56 2dky h PHE 60 CO -0.00 0.02 -1.96 1.28 -0.00 0.00 0.00 178.31 177.65 2dky n LEU 61 N -5.05 -4.53 -4.94 2.10 4.77 -0.13 -4.96 117.00 104.26 2dky n LEU 61 Ca 0.13 0.13 -0.24 0.00 -0.03 0.00 0.00 56.01 56.00 2dky n LEU 61 Cb 0.40 -0.74 0.01 0.00 -2.33 0.00 0.00 43.42 40.76 2dky n LEU 61 CO 0.17 -4.73 0.35 -1.81 -1.33 0.00 0.00 177.39 170.04 2dky s ASP 62 N -1.13 5.85 0.23 -1.43 1.11 -1.26 -4.86 116.67 115.18 2dky s ASP 62 Ca 0.41 0.47 -0.06 0.00 0.18 0.00 0.00 52.55 53.55 2dky s ASP 62 Cb -0.10 -1.69 0.40 0.00 1.07 0.00 0.00 42.92 42.60 2dky s ASP 62 CO 0.76 -0.75 1.73 -0.09 1.18 0.00 0.00 175.17 178.00 2dky h ARG 63 N 0.27 0.40 -0.42 8.23 2.43 -1.94 0.21 114.38 123.56 2dky h ARG 63 Ca -0.46 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 58.63 2dky h ARG 63 Cb 1.25 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.69 2dky h ARG 63 CO 0.59 0.26 0.06 0.22 -1.51 0.00 0.00 179.97 179.59 2dky h ASP 64 N 0.41 0.67 -0.60 -3.80 1.82 -1.99 -0.76 116.42 112.17 2dky h ASP 64 Ca 0.38 -0.26 -0.02 0.00 -0.39 0.00 0.00 57.03 56.74 2dky h ASP 64 Cb 0.56 -0.18 -0.03 0.00 0.68 0.00 0.00 39.33 40.36 2dky h ASP 64 CO -0.39 0.76 0.29 0.00 -1.61 0.00 0.00 179.24 178.30 2dky h ALA 65 N 0.93 0.77 -0.29 -0.78 0.00 -1.60 -1.45 119.26 116.84 2dky h ALA 65 Ca 0.13 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2dky h ALA 65 Cb 0.38 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2dky h ALA 65 CO 0.01 0.33 -0.29 0.82 0.00 0.00 0.00 179.25 180.12 2dky h ILE 66 N 0.82 1.28 -0.54 0.00 1.08 -0.52 -1.36 117.51 118.27 2dky h ILE 66 Ca 0.21 -1.38 -0.08 0.00 -0.39 0.00 0.00 64.86 63.22 2dky h ILE 66 Cb 0.11 1.37 -0.02 0.00 -3.07 0.00 0.00 36.82 35.21 2dky h ILE 66 CO -0.03 0.44 0.01 -0.33 -0.69 0.00 0.00 178.15 177.55 2dky h GLU 67 N 0.50 0.94 -0.32 2.37 4.39 -0.80 -0.72 114.58 120.95 2dky h GLU 67 Ca 0.06 -0.29 -0.17 0.00 0.34 0.00 0.00 59.36 59.30 2dky h GLU 67 Cb 0.76 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.32 2dky h GLU 67 CO 0.06 0.95 -0.47 0.00 -1.16 0.00 0.00 179.01 178.39 2dky h ALA 68 N 0.96 0.49 0.21 3.43 0.00 -1.15 -2.63 119.26 120.57 2dky h ALA 68 Ca 0.15 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2dky h ALA 68 Cb 0.52 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2dky h ALA 68 CO 0.03 0.65 -0.10 1.25 0.00 0.00 0.00 179.25 181.07 2dky h LEU 69 N 0.67 -0.24 -1.69 0.00 5.85 -1.15 -2.90 115.31 115.85 2dky h LEU 69 Ca 0.03 -0.16 0.11 0.00 0.84 0.00 0.00 57.88 58.70 2dky h LEU 69 Cb 1.07 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 2dky h LEU 69 CO 0.11 0.03 0.40 0.00 -0.34 0.00 0.00 178.44 178.63 2dky h ARG 71 N 0.34 0.00 0.05 0.00 3.08 -1.25 -0.01 114.38 116.60 2dky h ARG 71 Ca 0.28 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.95 2dky h ARG 71 Cb 0.62 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.63 2dky h ARG 71 CO -0.07 0.00 -2.27 0.54 -1.07 0.00 0.00 179.97 177.11 2dky n ARG 72 N -2.82 0.70 0.08 0.04 3.00 0.57 -3.95 116.66 114.27 2dky n ARG 72 Ca -0.02 0.19 -0.13 0.00 -0.01 0.00 0.00 57.85 57.88 2dky n ARG 72 Cb 0.06 -1.60 -0.08 0.00 0.00 0.00 0.00 32.46 30.83 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 0.03 -0.18 -0.83 0.55 -0.00 -1.04 -3.12 115.31 110.72 2dky h LEU 73 Ca -0.51 -0.27 0.14 0.00 -0.00 0.00 0.00 57.88 57.24 2dky h LEU 73 Cb 1.97 0.05 -0.09 0.00 -0.00 0.00 0.00 40.66 42.59 2dky h LEU 73 CO -0.01 0.19 0.42 -0.55 -0.00 0.00 0.00 178.44 178.49 2dky h ASN 74 N -0.58 0.50 -0.51 -0.43 7.08 -1.25 0.18 115.58 120.57 2dky h ASN 74 Ca -0.02 0.09 0.12 0.00 -3.08 0.00 0.00 56.30 53.41 2dky h ASN 74 Cb 0.44 0.01 -0.03 0.00 -2.08 0.00 0.00 38.32 36.67 2dky h ASN 74 CO 0.04 0.22 0.36 0.74 -2.08 0.00 0.00 177.43 176.70 2dky h THR 75 N 0.61 0.82 0.04 6.14 2.02 -1.67 -0.83 112.91 120.03 2dky h THR 75 Ca 0.45 -0.05 -0.28 0.00 0.77 0.00 0.00 66.41 67.30 2dky h THR 75 Cb 0.62 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 2dky h THR 75 CO -0.36 0.03 -1.47 -0.07 0.37 0.00 0.00 175.52 174.02 2dky h LEU 76 N 0.16 0.14 -1.97 2.58 3.38 -0.67 -2.71 115.31 116.21 2dky h LEU 76 Ca 0.24 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 58.07 2dky h LEU 76 Cb 0.75 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2dky h LEU 76 CO -0.03 1.17 0.17 0.78 0.09 0.00 0.00 178.44 180.62 2dky h ASN 77 N 0.02 0.03 0.15 -0.43 2.35 0.38 0.43 115.58 118.52 2dky h ASN 77 Ca -0.20 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.43 2dky h ASN 77 Cb 1.95 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 40.29 2dky h ASN 77 CO 0.12 0.02 -1.96 2.29 -1.65 0.00 0.00 177.43 176.25 2dky n LYS 78 N -4.47 0.66 0.00 0.81 2.85 -1.03 -3.53 118.16 113.44 2dky n LYS 78 Ca 0.02 -0.08 0.13 0.00 -1.05 0.00 0.00 58.31 57.33 2dky n LYS 78 Cb 0.29 -1.57 0.40 0.00 -0.65 0.00 0.00 35.03 33.50 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 -1.41 1.49 0.72 0.00 0.00 0.14 -4.41 120.51 117.04 2dky n ALA 80 Ca 0.07 -1.14 0.12 0.00 0.00 0.00 0.00 53.44 52.49 2dky n ALA 80 Cb 0.33 -0.11 0.20 0.00 0.00 0.00 0.00 19.45 19.88 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 -3.04 0.22 0.22 0.00 3.14 -1.23 -3.97 118.33 113.67 2dky n VAL 81 Ca -0.39 -0.18 0.09 0.00 -2.96 0.00 0.00 64.34 60.90 2dky n VAL 81 Cb 1.03 0.00 0.50 0.00 -1.06 0.00 0.00 33.84 34.31 2dky n VAL 81 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2dky h MET 82 N 0.00 0.00 -0.46 1.45 -0.00 -1.65 -1.14 114.93 113.13 2dky h MET 82 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 59.70 59.75 2dky h MET 82 Cb 0.66 0.00 -0.05 0.00 -0.00 0.00 0.00 31.60 32.21 2dky h MET 82 CO 0.00 0.00 0.19 -0.22 -0.00 0.00 0.00 176.91 176.88 2dky h LYS 83 N 0.00 0.37 0.66 -0.10 3.64 -1.87 -3.11 116.57 116.17 2dky h LYS 83 Ca 0.00 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 2dky h LYS 83 Cb 0.65 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.40 2dky h LYS 83 CO 0.00 0.24 -0.32 -0.07 -2.27 0.00 0.00 179.45 177.03 2dky h LEU 84 N 0.38 -0.76 -6.00 5.20 -0.00 -1.53 -3.40 115.31 109.20 2dky h LEU 84 Ca 0.21 0.03 0.15 0.00 -0.00 0.00 0.00 57.88 58.27 2dky h LEU 84 Cb 0.18 0.20 -0.21 0.00 -0.00 0.00 0.00 40.66 40.83 2dky h LEU 84 CO -0.19 -0.44 -0.10 -0.70 -0.00 0.00 0.00 178.44 177.01 2dky s GLU 85 N -4.58 0.38 0.06 1.13 -6.30 -1.18 -5.07 118.70 103.13 2dky s GLU 85 Ca -0.13 0.62 -0.24 0.00 -2.50 0.00 0.00 54.97 52.72 2dky s GLU 85 Cb 0.01 0.34 -0.06 0.00 0.00 0.00 0.00 34.13 34.42 2dky s GLU 85 CO 0.39 -0.47 0.72 -1.54 0.02 0.00 0.00 175.26 174.38 2dky s SER 86 N 2.90 7.19 0.00 -1.70 1.04 -1.19 -4.81 113.70 117.13 2dky s SER 86 Ca 0.12 1.42 0.00 0.00 0.48 0.00 0.00 55.95 57.96 2dky s SER 86 Cb -0.11 -2.45 0.00 0.00 0.10 0.00 0.00 66.02 63.56 2dky s SER 86 CO -0.18 0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.73 2dky n GLY 87 N 2.23 -1.76 3.55 7.32 0.00 -1.26 -5.11 105.19 110.16 2dky n GLY 87 Ca -0.04 0.93 -0.39 0.00 0.00 0.00 0.00 46.02 46.52 2dky n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dky s PRO 88 N 0.00 2.65 0.09 1.61 0.04 -1.26 -4.88 135.00 133.25 2dky s PRO 88 Ca 0.00 0.63 -0.31 0.00 0.04 0.00 0.00 61.00 61.37 2dky s PRO 88 Cb 0.00 -4.38 -0.13 0.00 0.04 0.00 0.00 34.50 30.03 2dky s PRO 88 CO 0.00 -2.71 1.62 1.03 0.04 0.00 0.00 177.00 176.98 2dky h SER 89 N 14.90 -0.90 -1.09 6.66 0.87 -2.03 -3.41 113.55 128.56 2dky h SER 89 Ca -0.26 0.08 -0.77 0.00 -1.23 0.00 0.00 61.79 59.61 2dky h SER 89 Cb 1.16 0.30 -0.00 0.00 -0.44 0.00 0.00 62.40 63.42 2dky h SER 89 CO 1.21 -0.47 1.00 -0.24 -0.53 0.00 0.00 176.83 177.80 2dky n SER 90 N -5.45 1.81 0.00 6.23 2.88 -1.26 -5.37 113.62 112.46 2dky n SER 90 Ca -0.10 0.94 0.00 0.00 -1.33 0.00 0.00 58.87 58.38 2dky n SER 90 Cb 0.35 -1.06 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 2dky n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42