#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 -1.46 -4.39 1.61 2.88 -1.26 -4.91 113.62 106.10 2dky n SER 2 Ca 0.00 -1.21 -0.19 0.00 -1.33 0.00 0.00 58.87 56.14 2dky n SER 2 Cb 0.00 -1.82 -0.10 0.00 -0.75 0.00 0.00 64.21 61.53 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 -3.52 1.86 0.00 -3.46 0.15 -1.26 -5.15 113.70 102.32 2dky s SER 3 Ca 0.63 -1.37 0.00 0.00 0.70 0.00 0.00 55.95 55.91 2dky s SER 3 Cb -0.37 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 63.97 2dky s SER 3 CO 1.00 -0.65 0.00 0.61 1.20 0.00 0.00 173.24 175.40 2dky n GLY 4 N -0.58 4.58 3.86 9.45 0.00 -1.26 -5.19 105.19 116.05 2dky n GLY 4 Ca -0.01 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.02 0.14 1.61 1.04 -1.26 -5.19 113.70 110.01 2dky s SER 5 Ca 0.00 -0.36 -0.25 0.00 0.48 0.00 0.00 55.95 55.82 2dky s SER 5 Cb 0.00 0.29 0.07 0.00 0.10 0.00 0.00 66.02 66.47 2dky s SER 5 CO 0.00 -0.56 0.85 -0.94 0.98 0.00 0.00 173.24 173.57 2dky s SER 6 N -3.45 -0.29 0.00 7.02 1.04 -1.26 -5.14 113.70 111.62 2dky s SER 6 Ca 0.23 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.37 2dky s SER 6 Cb -0.00 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.64 2dky s SER 6 CO 0.01 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 173.92 2dky n GLY 7 N -0.40 -1.18 3.33 7.32 0.00 -1.26 -5.12 105.19 107.89 2dky n GLY 7 Ca -0.08 0.83 -0.46 0.00 0.00 0.00 0.00 46.02 46.32 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 0.00 3.00 0.04 1.61 1.75 -1.26 -5.02 119.30 119.43 2dky s MET 8 Ca 0.00 -1.58 -0.13 0.00 -1.25 0.00 0.00 55.69 52.73 2dky s MET 8 Cb 0.00 -4.28 0.02 0.00 2.84 0.00 0.00 34.83 33.41 2dky s MET 8 CO 0.00 -1.36 0.29 0.00 -0.65 0.00 0.00 175.02 173.31 2dky s ARG 10 N -2.56 2.47 -0.03 0.00 3.52 -1.26 -5.05 118.95 116.04 2dky s ARG 10 Ca -0.05 -1.71 -0.01 0.00 -0.13 0.00 0.00 55.73 53.83 2dky s ARG 10 Cb -0.01 -3.88 0.02 0.00 -1.56 0.00 0.00 34.95 29.53 2dky s ARG 10 CO -0.03 -1.14 0.05 0.21 -0.81 0.00 0.00 175.30 173.57 2dky s LYS 11 N 1.36 0.01 -0.05 5.12 2.36 -1.26 -5.15 119.74 122.12 2dky s LYS 11 Ca 0.05 0.18 -0.03 0.00 -2.55 0.00 0.00 55.97 53.62 2dky s LYS 11 Cb -0.25 -0.16 -0.04 0.00 -1.05 0.00 0.00 37.83 36.33 2dky s LYS 11 CO -0.00 -0.12 0.12 0.15 1.55 0.00 0.00 175.35 177.05 2dky s LYS 12 N 0.79 3.29 0.80 4.03 1.02 -1.26 -5.10 119.74 123.31 2dky s LYS 12 Ca -0.06 -0.31 -0.11 0.00 0.02 0.00 0.00 55.97 55.51 2dky s LYS 12 Cb -0.09 -3.03 0.08 0.00 -0.52 0.00 0.00 37.83 34.26 2dky s LYS 12 CO -0.03 0.71 1.09 -1.25 -0.92 0.00 0.00 175.35 174.95 2dky s PRO 13 N -1.47 2.00 -0.17 -1.68 0.04 -1.26 -5.02 135.00 127.43 2dky s PRO 13 Ca 0.21 1.08 -0.14 0.00 0.04 0.00 0.00 61.00 62.19 2dky s PRO 13 Cb -0.12 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.46 2dky s PRO 13 CO 0.11 -1.80 -0.07 -3.47 0.04 0.00 0.00 177.00 171.81 2dky n ASP 14 N -3.62 1.84 -4.47 6.66 2.03 -1.26 -4.76 116.55 112.97 2dky n ASP 14 Ca 0.09 0.54 -0.43 0.00 0.52 0.00 0.00 54.79 55.51 2dky n ASP 14 Cb 0.54 -0.89 -0.04 0.00 -0.72 0.00 0.00 41.12 40.01 2dky n ASP 14 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2dky s THR 15 N -2.33 4.29 -0.03 5.18 -4.23 -1.26 -4.73 115.64 112.52 2dky s THR 15 Ca -0.21 -0.44 0.00 0.00 -1.18 0.00 0.00 61.69 59.86 2dky s THR 15 Cb 0.04 -4.74 -0.02 0.00 1.34 0.00 0.00 72.50 69.12 2dky s THR 15 CO 0.36 -1.53 -0.03 0.23 -0.54 0.00 0.00 174.62 173.11 2dky n MET 16 N 7.81 0.14 0.05 3.99 2.81 -1.26 -4.38 117.12 126.27 2dky n MET 16 Ca 0.02 0.02 -0.21 0.00 -1.81 0.00 0.00 57.70 55.72 2dky n MET 16 Cb 0.46 -1.07 -0.11 0.00 -0.71 0.00 0.00 33.22 31.80 2dky n MET 16 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 2dky h ILE 17 N 0.00 1.28 0.45 2.02 5.03 -1.99 -2.08 117.51 122.21 2dky h ILE 17 Ca -0.07 -2.28 -0.02 0.00 -0.12 0.00 0.00 64.86 62.37 2dky h ILE 17 Cb 1.12 2.43 0.00 0.00 -3.03 0.00 0.00 36.82 37.34 2dky h ILE 17 CO -0.01 0.70 -0.21 0.25 -0.68 0.00 0.00 178.15 178.20 2dky h LEU 18 N 0.38 -0.51 -0.01 1.44 6.46 -1.94 -3.12 115.31 118.01 2dky h LEU 18 Ca -0.14 -0.08 0.02 0.00 -0.12 0.00 0.00 57.88 57.56 2dky h LEU 18 Cb 1.73 0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 41.77 2dky h LEU 18 CO 0.21 -0.10 -0.10 0.74 -0.62 0.00 0.00 178.44 178.58 2dky h THR 19 N -1.03 0.75 -0.96 1.05 2.02 -1.77 -2.55 112.91 110.42 2dky h THR 19 Ca -0.06 0.00 0.25 0.00 0.77 0.00 0.00 66.41 67.37 2dky h THR 19 Cb 0.56 0.75 -0.18 0.00 -1.74 0.00 0.00 68.15 67.54 2dky h THR 19 CO 0.10 0.00 -0.02 -0.61 0.37 0.00 0.00 175.52 175.36 2dky h GLN 20 N -0.16 0.02 0.42 6.66 4.15 -1.47 0.15 115.11 124.87 2dky h GLN 20 Ca 0.04 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.44 2dky h GLN 20 Cb 0.21 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.89 2dky h GLN 20 CO -0.10 0.01 -0.26 0.82 -1.93 0.00 0.00 178.83 177.37 2dky h ILE 21 N 0.02 0.00 -0.69 2.39 2.04 -1.39 0.27 117.51 120.14 2dky h ILE 21 Ca 0.56 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.57 2dky h ILE 21 Cb 1.10 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.06 2dky h ILE 21 CO -0.91 0.00 0.01 -0.33 0.00 0.00 0.00 178.15 176.92 2dky h GLU 22 N -0.64 0.11 -0.20 2.37 3.07 -1.10 -0.31 114.58 117.88 2dky h GLU 22 Ca -0.06 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 2dky h GLU 22 Cb 0.51 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 2dky h GLU 22 CO 0.05 0.08 0.13 0.00 -1.40 0.00 0.00 179.01 177.87 2dky h ALA 23 N 1.64 0.25 -0.81 3.43 0.00 -0.63 -2.61 119.26 120.53 2dky h ALA 23 Ca 0.37 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.38 2dky h ALA 23 Cb 0.63 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 2dky h ALA 23 CO -0.59 -0.27 0.43 -0.22 0.00 0.00 0.00 179.25 178.60 2dky h LYS 24 N 0.27 0.65 -0.38 0.00 1.63 0.12 -1.43 116.57 117.43 2dky h LYS 24 Ca 0.07 -0.04 0.06 0.00 -0.85 0.00 0.00 60.65 59.89 2dky h LYS 24 Cb -0.03 -0.15 -0.05 0.00 -0.60 0.00 0.00 32.23 31.40 2dky h LYS 24 CO -0.02 0.43 0.05 0.93 -3.45 0.00 0.00 179.45 177.40 2dky h GLU 25 N 0.67 0.16 0.56 1.90 4.39 -0.85 0.13 114.58 121.54 2dky h GLU 25 Ca 0.42 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 60.08 2dky h GLU 25 Cb 0.50 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.12 2dky h GLU 25 CO -0.31 0.11 -0.27 0.00 -1.16 0.00 0.00 179.01 177.38 2dky h ALA 26 N 1.30 -0.75 -0.39 3.43 0.00 -1.12 -2.83 119.26 118.90 2dky h ALA 26 Ca 0.18 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.99 2dky h ALA 26 Cb 0.23 0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 2dky h ALA 26 CO -0.26 -0.89 -0.07 0.00 0.00 0.00 0.00 179.25 178.03 2dky h ASP 28 N 0.03 0.38 0.05 0.00 3.58 -0.67 -1.02 116.42 118.77 2dky h ASP 28 Ca 0.19 0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.70 2dky h ASP 28 Cb 0.29 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.34 2dky h ASP 28 CO -0.38 0.09 -0.02 -0.25 -2.88 0.00 0.00 179.24 175.79 2dky h TRP 29 N 0.34 -0.06 -1.50 0.28 7.01 -0.74 -1.65 115.95 119.62 2dky h TRP 29 Ca 0.57 -0.00 0.49 0.00 2.11 0.00 0.00 58.89 62.06 2dky h TRP 29 Cb 1.54 0.02 -0.12 0.00 -2.10 0.00 0.00 29.16 28.49 2dky h TRP 29 CO -0.00 -0.04 1.00 -0.07 -2.79 0.00 0.00 178.44 176.54 2dky h LEU 30 N -0.78 0.16 0.01 0.65 3.38 -0.71 2.33 115.31 120.35 2dky h LEU 30 Ca -0.01 0.12 -0.27 0.00 0.09 0.00 0.00 57.88 57.81 2dky h LEU 30 Cb 0.05 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 2dky h LEU 30 CO 0.01 -0.19 -1.47 -0.09 0.09 0.00 0.00 178.44 176.79 2dky h ARG 31 N 0.02 0.02 -0.63 1.13 1.12 -1.30 -0.82 114.38 113.91 2dky h ARG 31 Ca 0.88 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 59.72 2dky h ARG 31 Cb 3.00 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 32.98 2dky h ARG 31 CO -0.36 0.71 0.00 0.00 -3.11 0.00 0.00 179.97 177.21 2dky n ALA 32 N -2.50 3.18 -0.04 2.80 0.00 0.63 -4.32 120.51 120.25 2dky n ALA 32 Ca -0.12 -1.66 -0.06 0.00 0.00 0.00 0.00 53.44 51.61 2dky n ALA 32 Cb 1.01 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 1.04 0.51 0.00 0.00 5.66 0.64 -4.94 114.28 117.19 2dky n THR 33 Ca 0.26 -0.20 0.00 0.00 -3.05 0.00 0.00 64.05 61.06 2dky n THR 33 Cb 0.93 -0.81 0.00 0.00 -1.55 0.00 0.00 70.33 68.89 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 3.07 0.40 3.08 1.09 0.00 -1.22 -5.07 105.19 106.55 2dky n GLY 34 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 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 3.73 -0.15 1.61 0.08 -0.32 -4.89 117.98 118.04 2dky s PHE 35 Ca 0.00 -2.97 0.29 0.00 0.12 0.00 0.00 56.93 54.37 2dky s PHE 35 Cb 0.00 -3.18 1.22 0.00 -0.57 0.00 0.00 43.02 40.49 2dky s PHE 35 CO 0.00 -0.75 1.87 -1.00 -0.10 0.00 0.00 175.22 175.24 2dky h PRO 36 N 6.23 0.00 0.00 0.24 0.13 -1.82 -2.69 132.00 134.09 2dky h PRO 36 Ca 0.11 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.16 2dky h PRO 36 Cb 0.85 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 2dky h PRO 36 CO 0.80 0.00 -0.38 -0.56 -0.23 0.00 0.00 178.00 177.63 2dky h GLN 37 N 0.00 0.00 0.00 0.86 3.07 -1.90 -2.84 115.11 114.31 2dky h GLN 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2dky h GLN 37 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.99 2dky h GLN 37 CO 0.00 0.38 -0.29 1.88 0.09 0.00 0.00 178.83 180.89 2dky h TYR 38 N 0.00 0.00 0.00 0.06 0.05 -1.79 -2.83 116.97 112.46 2dky h TYR 38 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2dky h TYR 38 Cb 1.02 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.76 2dky h TYR 38 CO 0.00 0.00 -1.01 0.00 -1.05 0.00 0.00 178.16 176.10 2dky n ALA 39 N -1.87 3.38 -0.07 3.88 0.00 -1.11 -4.28 120.51 120.44 2dky n ALA 39 Ca 0.04 -0.40 -0.20 0.00 0.00 0.00 0.00 53.44 52.88 2dky n ALA 39 Cb 0.45 -0.98 -0.13 0.00 0.00 0.00 0.00 19.45 18.80 2dky n ALA 39 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2dky n GLN 40 N -1.97 0.70 -0.25 0.00 -0.06 -1.09 -3.99 117.38 110.72 2dky n GLN 40 Ca 0.02 0.22 0.00 0.00 -2.00 0.00 0.00 57.00 55.24 2dky n GLN 40 Cb 0.44 -1.61 0.07 0.00 -4.06 0.00 0.00 30.24 25.07 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 -0.02 -0.78 -0.96 1.69 3.38 -1.68 0.35 115.31 117.28 2dky h LEU 41 Ca -0.50 0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 2dky h LEU 41 Cb 1.94 0.48 -0.02 0.00 0.09 0.00 0.00 40.66 43.15 2dky h LEU 41 CO -0.02 -0.26 0.07 0.22 0.09 0.00 0.00 178.44 178.55 2dky h TYR 42 N -0.03 0.86 -0.02 1.13 5.03 -1.77 -1.17 116.97 121.02 2dky h TYR 42 Ca 0.34 -0.10 -0.01 0.00 2.58 0.00 0.00 58.73 61.54 2dky h TYR 42 Cb 0.54 -0.25 -0.00 0.00 1.55 0.00 0.00 36.73 38.58 2dky h TYR 42 CO -0.60 0.76 -0.02 0.93 -1.32 0.00 0.00 178.16 177.91 2dky h GLU 43 N 0.79 0.02 -0.42 1.82 5.08 -0.51 0.49 114.58 121.85 2dky h GLU 43 Ca 0.16 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2dky h GLU 43 Cb 0.37 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2dky h GLU 43 CO 0.01 0.04 0.00 -3.47 -1.00 0.00 0.00 179.01 174.59 2dky n ASP 44 N -4.50 2.54 -3.42 1.42 -0.08 -0.40 -4.93 116.55 107.17 2dky n ASP 44 Ca -0.03 -1.95 -0.19 0.00 -1.51 0.00 0.00 54.79 51.12 2dky n ASP 44 Cb 0.11 -0.28 0.08 0.00 2.34 0.00 0.00 41.12 43.38 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 0.88 -2.37 -0.06 -0.67 3.72 0.16 -4.93 117.46 114.20 2dky n PHE 45 Ca 0.17 0.94 -0.11 0.00 -0.05 0.00 0.00 57.45 58.40 2dky n PHE 45 Cb 0.42 -4.99 -0.15 0.00 -0.94 0.00 0.00 39.48 33.83 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 -4.34 0.79 -4.62 4.37 4.77 -0.50 -4.96 117.00 112.51 2dky n LEU 46 Ca -0.18 0.20 -0.31 0.00 -0.03 0.00 0.00 56.01 55.69 2dky n LEU 46 Cb 0.63 0.14 0.17 0.00 -2.33 0.00 0.00 43.42 42.02 2dky n LEU 46 CO 0.61 0.50 0.54 0.49 -1.33 0.00 0.00 177.39 178.20 2dky n PHE 47 N -2.98 0.39 -1.25 -1.77 3.01 -1.26 -4.62 117.46 108.99 2dky n PHE 47 Ca -0.26 0.35 -0.31 0.00 1.01 0.00 0.00 57.45 58.24 2dky n PHE 47 Cb 1.09 -1.95 0.10 0.00 -0.01 0.00 0.00 39.48 38.71 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 -4.47 2.10 0.50 -1.08 0.04 -1.26 -4.61 135.00 126.22 2dky s PRO 48 Ca 0.65 1.12 0.06 0.00 0.04 0.00 0.00 61.00 62.87 2dky s PRO 48 Cb -0.23 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.44 2dky s PRO 48 CO 0.60 -1.74 0.31 0.96 0.04 0.00 0.00 177.00 177.17 2dky s ILE 49 N -2.91 1.84 -0.74 0.56 -4.36 -1.26 -5.05 121.20 109.28 2dky s ILE 49 Ca 0.61 -1.58 -0.25 0.00 -0.26 0.00 0.00 60.65 59.18 2dky s ILE 49 Cb -0.17 -2.42 0.05 0.00 1.25 0.00 0.00 42.46 41.17 2dky s ILE 49 CO 0.56 0.00 1.18 -1.81 0.24 0.00 0.00 174.94 175.12 2dky s ASP 50 N -4.14 6.20 0.04 4.36 1.01 -1.26 -4.90 116.67 117.99 2dky s ASP 50 Ca 0.34 -0.75 -0.30 0.00 0.71 0.00 0.00 52.55 52.54 2dky s ASP 50 Cb -0.01 -2.51 -0.17 0.00 1.01 0.00 0.00 42.92 41.24 2dky s ASP 50 CO 0.20 -1.66 1.38 0.40 0.21 0.00 0.00 175.17 175.70 2dky h ILE 51 N 6.06 0.26 -1.13 0.77 1.08 -1.97 -2.36 117.51 120.21 2dky h ILE 51 Ca -0.23 -0.21 0.33 0.00 -0.39 0.00 0.00 64.86 64.36 2dky h ILE 51 Cb 1.05 0.31 -0.11 0.00 -3.07 0.00 0.00 36.82 35.01 2dky h ILE 51 CO 1.25 0.02 0.72 0.77 -0.69 0.00 0.00 178.15 180.23 2dky h SER 52 N -1.05 0.38 -0.07 1.72 4.64 -2.00 0.18 113.55 117.34 2dky h SER 52 Ca -0.09 0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 2dky h SER 52 Cb 0.72 0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.87 2dky h SER 52 CO 0.15 -0.02 -0.01 -0.07 -0.87 0.00 0.00 176.83 176.00 2dky h LEU 53 N 0.28 0.13 -2.06 5.97 -0.00 -1.92 -2.01 115.31 115.70 2dky h LEU 53 Ca 0.68 -0.36 0.08 0.00 -0.00 0.00 0.00 57.88 58.29 2dky h LEU 53 Cb 1.89 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 42.50 2dky h LEU 53 CO -0.36 0.46 0.36 0.58 -0.00 0.00 0.00 178.44 179.48 2dky h VAL 54 N -0.21 0.34 0.13 1.22 2.07 -0.13 0.43 116.25 120.10 2dky h VAL 54 Ca 0.02 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.29 2dky h VAL 54 Cb 0.40 0.70 0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2dky h VAL 54 CO 0.01 0.00 -1.22 0.11 0.02 0.00 0.00 177.57 176.48 2dky h LYS 55 N 0.00 0.27 0.00 1.57 1.57 -1.16 -3.02 116.57 115.80 2dky h LYS 55 Ca 0.14 -0.47 -0.09 0.00 -1.87 0.00 0.00 60.65 58.36 2dky h LYS 55 Cb 0.86 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 2dky h LYS 55 CO -0.00 1.22 -0.44 0.07 -0.57 0.00 0.00 179.45 179.73 2dky h ARG 56 N -0.31 0.00 -0.10 3.15 0.11 -0.41 -2.16 114.38 114.66 2dky h ARG 56 Ca -0.25 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 59.60 2dky h ARG 56 Cb 1.74 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.83 2dky h ARG 56 CO 0.10 0.44 -0.85 0.93 0.10 0.00 0.00 179.97 180.70 2dky h GLU 57 N 0.00 0.74 -0.89 0.08 4.39 -0.34 -3.26 114.58 115.30 2dky h GLU 57 Ca -0.00 -0.67 -0.59 0.00 0.34 0.00 0.00 59.36 58.43 2dky h GLU 57 Cb 0.90 0.16 -0.31 0.00 -0.10 0.00 0.00 28.75 29.40 2dky h GLU 57 CO 0.06 1.27 0.41 0.72 -1.16 0.00 0.00 179.01 180.31 2dky n HIS 58 N -3.94 2.95 0.30 4.33 8.25 -1.14 -4.68 115.22 121.29 2dky n HIS 58 Ca -0.09 -2.62 0.17 0.00 -0.26 0.00 0.00 57.72 54.93 2dky n HIS 58 Cb 0.78 -1.08 0.89 0.00 1.12 0.00 0.00 29.99 31.70 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 1.85 0.00 -0.44 0.41 1.82 -1.43 -0.17 116.42 118.45 2dky h ASP 59 Ca 0.53 0.00 -0.09 0.00 -0.39 0.00 0.00 57.03 57.09 2dky h ASP 59 Cb 1.27 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.26 2dky h ASP 59 CO 1.27 0.00 -0.06 2.19 -1.61 0.00 0.00 179.24 181.03 2dky h PHE 60 N 0.00 0.90 -2.02 0.28 -5.15 -1.87 -3.45 116.94 105.64 2dky h PHE 60 Ca 0.03 -0.18 -0.50 0.00 -0.20 0.00 0.00 57.97 57.12 2dky h PHE 60 Cb 0.57 -0.23 0.24 0.00 0.22 0.00 0.00 35.95 36.75 2dky h PHE 60 CO 0.00 0.90 -1.68 1.28 -2.00 0.00 0.00 178.31 176.81 2dky n LEU 61 N -4.33 -2.88 -4.91 2.10 4.77 -0.08 -4.96 117.00 106.71 2dky n LEU 61 Ca -0.00 0.05 -0.27 0.00 -0.03 0.00 0.00 56.01 55.75 2dky n LEU 61 Cb 0.34 -0.82 -0.02 0.00 -2.33 0.00 0.00 43.42 40.60 2dky n LEU 61 CO 0.43 -3.54 0.25 -1.81 -1.33 0.00 0.00 177.39 171.39 2dky s ASP 62 N -1.45 6.38 0.20 -1.43 1.11 -1.26 -4.86 116.67 115.37 2dky s ASP 62 Ca 0.47 0.71 -0.21 0.00 0.18 0.00 0.00 52.55 53.70 2dky s ASP 62 Cb -0.07 -2.14 0.14 0.00 1.07 0.00 0.00 42.92 41.91 2dky s ASP 62 CO 0.69 -0.29 1.57 -0.09 1.18 0.00 0.00 175.17 178.23 2dky h ARG 63 N 1.19 -0.11 -0.35 8.23 2.43 -1.96 0.25 114.38 124.06 2dky h ARG 63 Ca -0.48 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 58.75 2dky h ARG 63 Cb 1.20 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.73 2dky h ARG 63 CO 0.64 -0.07 0.09 0.22 -1.51 0.00 0.00 179.97 179.33 2dky h ASP 64 N -0.12 0.05 -0.12 -3.80 3.58 -1.99 0.15 116.42 114.18 2dky h ASP 64 Ca 0.26 0.05 0.03 0.00 0.42 0.00 0.00 57.03 57.79 2dky h ASP 64 Cb 0.56 0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.64 2dky h ASP 64 CO -0.79 0.07 -0.08 0.00 -2.88 0.00 0.00 179.24 175.55 2dky h ALA 65 N 1.25 0.02 0.47 -0.78 0.00 -1.22 -1.82 119.26 117.19 2dky h ALA 65 Ca 0.16 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2dky h ALA 65 Cb 0.17 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2dky h ALA 65 CO -0.20 -0.53 -0.23 0.82 0.00 0.00 0.00 179.25 179.12 2dky h ILE 66 N -0.08 0.53 -0.75 0.00 1.08 -0.27 0.74 117.51 118.76 2dky h ILE 66 Ca 0.08 -0.15 0.14 0.00 -0.39 0.00 0.00 64.86 64.53 2dky h ILE 66 Cb 0.19 0.60 -0.14 0.00 -3.07 0.00 0.00 36.82 34.40 2dky h ILE 66 CO -0.17 0.03 -0.28 -0.33 -0.69 0.00 0.00 178.15 176.70 2dky h GLU 67 N -0.72 -0.06 0.51 2.37 4.39 -0.58 -0.66 114.58 119.82 2dky h GLU 67 Ca -0.06 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 2dky h GLU 67 Cb 0.53 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2dky h GLU 67 CO 0.11 -0.04 -0.24 0.00 -1.16 0.00 0.00 179.01 177.67 2dky h ALA 68 N 1.41 -0.68 -1.13 3.43 0.00 -1.25 -2.51 119.26 118.53 2dky h ALA 68 Ca 0.32 -0.19 0.44 0.00 0.00 0.00 0.00 54.91 55.47 2dky h ALA 68 Cb 0.57 0.26 -0.16 0.00 0.00 0.00 0.00 17.79 18.46 2dky h ALA 68 CO -0.79 -0.74 0.66 -0.11 0.00 0.00 0.00 179.25 178.27 2dky n LEU 69 N -5.28 0.30 -0.03 0.00 7.94 0.24 0.13 117.00 120.30 2dky n LEU 69 Ca -0.11 1.54 -0.16 0.00 -1.11 0.00 0.00 56.01 56.18 2dky n LEU 69 Cb 0.32 -0.76 -0.08 0.00 0.53 0.00 0.00 43.42 43.43 2dky n LEU 69 CO 0.30 -1.71 0.38 0.00 -1.11 0.00 0.00 177.39 175.25 2dky n ARG 71 N -4.24 -0.03 -0.04 0.00 5.12 0.36 0.61 116.66 118.44 2dky n ARG 71 Ca -0.08 1.15 -0.19 0.00 -1.93 0.00 0.00 57.85 56.80 2dky n ARG 71 Cb 0.59 -2.31 -0.13 0.00 -1.16 0.00 0.00 32.46 29.45 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 0.12 0.04 5.56 -0.00 -1.53 -3.19 114.38 115.39 2dky h ARG 72 Ca 0.83 -0.21 0.03 0.00 -0.50 0.00 0.00 59.98 60.13 2dky h ARG 72 Cb 2.78 0.08 -0.05 0.00 0.00 0.00 0.00 29.97 32.78 2dky h ARG 72 CO -0.38 1.10 -0.34 -0.07 0.00 0.00 0.00 179.97 180.29 2dky h LEU 73 N -0.68 -1.00 -0.13 3.04 3.38 0.24 -2.26 115.31 117.91 2dky h LEU 73 Ca -0.21 0.12 0.04 0.00 0.09 0.00 0.00 57.88 57.93 2dky h LEU 73 Cb 1.42 0.39 -0.05 0.00 0.09 0.00 0.00 40.66 42.51 2dky h LEU 73 CO -0.01 -0.41 -0.16 -0.55 0.09 0.00 0.00 178.44 177.40 2dky h ASN 74 N -0.52 -0.50 -1.19 -0.43 7.08 -1.00 0.14 115.58 119.17 2dky h ASN 74 Ca 0.05 0.09 0.34 0.00 -3.08 0.00 0.00 56.30 53.70 2dky h ASN 74 Cb 0.58 0.24 -0.06 0.00 -2.08 0.00 0.00 38.32 37.00 2dky h ASN 74 CO -0.25 -0.21 0.84 0.74 -2.08 0.00 0.00 177.43 176.47 2dky h THR 75 N -0.20 0.40 0.03 6.14 2.02 -1.45 0.45 112.91 120.29 2dky h THR 75 Ca 0.09 -0.03 -0.29 0.00 0.77 0.00 0.00 66.41 66.96 2dky h THR 75 Cb 0.34 0.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.03 2dky h THR 75 CO -0.25 0.01 -1.62 -0.07 0.37 0.00 0.00 175.52 173.97 2dky h LEU 76 N 0.08 0.08 -1.68 2.58 3.38 -0.55 -2.68 115.31 116.52 2dky h LEU 76 Ca 0.59 -0.16 0.18 0.00 0.09 0.00 0.00 57.88 58.58 2dky h LEU 76 Cb 2.18 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 42.86 2dky h LEU 76 CO -0.08 1.14 0.52 0.78 0.09 0.00 0.00 178.44 180.89 2dky h ASN 77 N 0.01 0.28 0.04 -0.43 -0.26 0.25 0.37 115.58 115.85 2dky h ASN 77 Ca -0.26 0.02 -0.38 0.00 -0.56 0.00 0.00 56.30 55.13 2dky h ASN 77 Cb 1.98 -0.03 -0.06 0.00 -1.06 0.00 0.00 38.32 39.15 2dky h ASN 77 CO 0.10 0.13 -2.36 2.29 -1.06 0.00 0.00 177.43 176.53 2dky n LYS 78 N -4.44 0.67 0.00 0.81 2.85 -1.04 -3.32 118.16 113.69 2dky n LYS 78 Ca 0.15 0.14 0.05 0.00 -1.05 0.00 0.00 58.31 57.60 2dky n LYS 78 Cb 0.64 -1.56 0.25 0.00 -0.65 0.00 0.00 35.03 33.71 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 1.90 0.29 0.00 0.00 0.07 -4.53 120.51 116.92 2dky n ALA 80 Ca 0.04 -0.63 0.17 0.00 0.00 0.00 0.00 53.44 53.02 2dky n ALA 80 Cb 0.09 0.26 0.81 0.00 0.00 0.00 0.00 19.45 20.60 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 -0.43 0.00 0.00 0.00 3.04 -1.53 -1.70 116.25 115.63 2dky h VAL 81 Ca -0.39 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.14 2dky h VAL 81 Cb 1.39 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 31.65 2dky h VAL 81 CO -0.20 0.00 0.00 1.15 -1.01 0.00 0.00 177.57 177.51 2dky n MET 82 N -2.72 0.87 -0.07 4.17 3.85 -0.79 -3.59 117.12 118.84 2dky n MET 82 Ca -0.01 0.00 -0.11 0.00 -1.00 0.00 0.00 57.70 56.58 2dky n MET 82 Cb 0.14 -1.02 -0.09 0.00 -1.05 0.00 0.00 33.22 31.21 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 0.00 -0.10 3.17 3.64 -1.59 -3.38 116.57 118.31 2dky h LYS 83 Ca 0.00 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 2dky h LYS 83 Cb 0.02 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.78 2dky h LYS 83 CO 0.00 0.67 -0.29 -0.07 -2.27 0.00 0.00 179.45 177.49 2dky h LEU 84 N -1.00 -0.88 -8.02 5.20 4.07 -1.80 -3.42 115.31 109.46 2dky h LEU 84 Ca -0.05 0.13 -0.14 0.00 0.08 0.00 0.00 57.88 57.90 2dky h LEU 84 Cb 0.75 0.38 -0.18 0.00 1.08 0.00 0.00 40.66 42.69 2dky h LEU 84 CO -0.03 -0.34 -0.62 -0.70 -1.08 0.00 0.00 178.44 175.67 2dky s GLU 85 N -6.03 0.51 0.41 1.13 2.56 -1.26 -4.94 118.70 111.08 2dky s GLU 85 Ca -0.15 -0.84 -0.25 0.00 0.00 0.00 0.00 54.97 53.72 2dky s GLU 85 Cb 0.10 0.19 -0.08 0.00 2.00 0.00 0.00 34.13 36.34 2dky s GLU 85 CO 0.66 -0.11 1.20 -1.12 -0.56 0.00 0.00 175.26 175.33 2dky s SER 86 N -2.16 6.42 0.00 -1.70 0.01 -1.26 -4.49 113.70 110.52 2dky s SER 86 Ca -0.05 2.41 0.00 0.00 1.31 0.00 0.00 55.95 59.62 2dky s SER 86 Cb -0.01 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2dky s SER 86 CO -0.05 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.46 2dky n GLY 87 N 0.63 -1.58 0.17 3.44 0.00 -1.26 -5.06 105.19 101.52 2dky n GLY 87 Ca 0.05 0.85 -0.13 0.00 0.00 0.00 0.00 46.02 46.78 2dky n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dky h PRO 88 N 0.00 0.50 -6.61 1.61 0.13 -1.97 -3.47 132.00 122.19 2dky h PRO 88 Ca 0.00 -0.26 -0.52 0.00 -0.87 0.00 0.00 66.00 64.35 2dky h PRO 88 Cb 0.00 0.01 -0.26 0.00 0.13 0.00 0.00 31.00 30.88 2dky h PRO 88 CO 0.00 0.84 -0.78 -1.13 -0.23 0.00 0.00 178.00 176.70 2dky n SER 89 N -4.44 -0.52 -3.72 1.44 3.41 -1.26 -4.89 113.62 103.64 2dky n SER 89 Ca -0.05 -1.05 -0.15 0.00 -0.26 0.00 0.00 58.87 57.35 2dky n SER 89 Cb 0.40 -1.33 -0.15 0.00 -0.26 0.00 0.00 64.21 62.87 2dky n SER 89 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dky s SER 90 N -3.43 0.26 0.00 4.04 0.01 -1.26 -5.25 113.70 108.07 2dky s SER 90 Ca 0.40 0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.90 2dky s SER 90 Cb -0.23 0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.13 2dky s SER 90 CO 0.85 -0.18 0.06 0.61 0.41 0.00 0.00 173.24 174.98