#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 -3.83 -4.27 1.61 2.88 -1.26 -4.93 113.62 103.82 2dky n SER 2 Ca 0.00 -0.67 -0.43 0.00 -1.33 0.00 0.00 58.87 56.44 2dky n SER 2 Cb 0.00 -4.59 -0.03 0.00 -0.75 0.00 0.00 64.21 58.85 2dky n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dky s SER 3 N -3.80 6.77 0.01 -3.46 0.01 -1.26 -5.04 113.70 106.92 2dky s SER 3 Ca 0.33 -3.42 -0.27 0.00 1.31 0.00 0.00 55.95 53.90 2dky s SER 3 Cb -0.16 -2.11 -0.04 0.00 0.21 0.00 0.00 66.02 63.92 2dky s SER 3 CO 0.77 -0.32 0.84 -0.83 0.41 0.00 0.00 173.24 174.12 2dky s GLY 4 N 1.07 2.81 -0.72 3.44 0.00 -1.26 -4.96 107.32 107.70 2dky s GLY 4 Ca 0.27 0.36 -0.02 0.00 0.00 0.00 0.00 44.72 45.33 2dky s GLY 4 CO -0.09 1.36 2.00 -1.14 0.00 0.00 0.00 173.10 175.23 2dky n SER 5 N 3.43 7.53 -3.60 1.64 3.41 -1.26 -4.92 113.62 119.85 2dky n SER 5 Ca 0.01 -3.81 -0.16 0.00 -0.26 0.00 0.00 58.87 54.66 2dky n SER 5 Cb 0.51 -0.99 -0.07 0.00 -0.26 0.00 0.00 64.21 63.40 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 -1.63 -0.56 0.00 4.04 0.15 -1.26 -5.17 113.70 109.27 2dky s SER 6 Ca 0.60 0.71 0.00 0.00 0.70 0.00 0.00 55.95 57.96 2dky s SER 6 Cb 0.48 0.66 0.00 0.00 -1.71 0.00 0.00 66.02 65.45 2dky s SER 6 CO -0.16 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 174.40 2dky n GLY 7 N 1.40 5.08 3.30 9.45 0.00 -1.26 -5.16 105.19 118.00 2dky n GLY 7 Ca -0.18 -1.14 -0.07 0.00 0.00 0.00 0.00 46.02 44.63 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 4.84 0.37 0.11 1.61 0.00 -1.26 -5.05 119.30 119.92 2dky s MET 8 Ca 0.00 1.07 -0.21 0.00 0.00 0.00 0.00 55.69 56.55 2dky s MET 8 Cb 0.00 0.38 -0.10 0.00 0.00 0.00 0.00 34.83 35.11 2dky s MET 8 CO 0.00 -0.28 1.76 0.00 0.00 0.00 0.00 175.02 176.51 2dky s ARG 10 N -6.18 3.13 -0.03 0.00 1.81 -1.26 -5.11 118.95 111.30 2dky s ARG 10 Ca -0.13 -0.29 0.03 0.00 -1.72 0.00 0.00 55.73 53.62 2dky s ARG 10 Cb 0.08 -2.48 0.00 0.00 -0.45 0.00 0.00 34.95 32.10 2dky s ARG 10 CO 0.68 -0.32 -0.10 0.15 -0.68 0.00 0.00 175.30 175.03 2dky s LYS 11 N -4.65 1.17 -0.84 3.54 1.02 -1.26 -5.09 119.74 113.62 2dky s LYS 11 Ca 0.49 -0.35 -0.01 0.00 0.02 0.00 0.00 55.97 56.12 2dky s LYS 11 Cb -0.10 -1.06 0.21 0.00 -0.52 0.00 0.00 37.83 36.36 2dky s LYS 11 CO 0.40 0.11 0.71 0.21 -0.92 0.00 0.00 175.35 175.86 2dky s LYS 12 N 0.27 3.09 -0.43 1.68 2.20 -1.26 -5.05 119.74 120.24 2dky s LYS 12 Ca -0.05 -3.23 -0.28 0.00 -0.36 0.00 0.00 55.97 52.05 2dky s LYS 12 Cb -0.10 -3.85 -0.01 0.00 -1.51 0.00 0.00 37.83 32.35 2dky s LYS 12 CO 0.01 -1.26 1.75 -1.25 -0.36 0.00 0.00 175.35 174.24 2dky s PRO 13 N -1.27 3.16 -0.23 4.03 0.04 -1.26 -4.98 135.00 134.49 2dky s PRO 13 Ca 0.26 1.09 -0.09 0.00 0.04 0.00 0.00 61.00 62.31 2dky s PRO 13 Cb -0.08 -4.23 -0.04 0.00 0.04 0.00 0.00 34.50 30.19 2dky s PRO 13 CO -0.12 -2.08 0.11 0.34 0.04 0.00 0.00 177.00 175.29 2dky s ASP 14 N 6.34 5.68 -1.28 6.66 -1.08 -1.26 -4.56 116.67 127.18 2dky s ASP 14 Ca 0.73 -0.01 -0.16 0.00 -0.52 0.00 0.00 52.55 52.58 2dky s ASP 14 Cb -0.18 -2.02 0.16 0.00 -1.46 0.00 0.00 42.92 39.43 2dky s ASP 14 CO 0.29 0.05 0.41 0.35 0.52 0.00 0.00 175.17 176.79 2dky n THR 15 N 4.40 0.00 -0.26 1.71 -2.24 -1.26 -4.72 114.28 111.91 2dky n THR 15 Ca -0.16 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.67 2dky n THR 15 Cb 0.52 -0.34 0.18 0.00 -2.10 0.00 0.00 70.33 68.60 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 -0.59 0.46 -0.08 -0.78 -0.00 -1.98 -0.56 114.93 111.41 2dky h MET 16 Ca -0.41 -0.03 0.04 0.00 -0.00 0.00 0.00 59.70 59.31 2dky h MET 16 Cb 0.97 -0.10 -0.05 0.00 -0.00 0.00 0.00 31.60 32.41 2dky h MET 16 CO 0.61 0.30 -0.26 0.82 -0.00 0.00 0.00 176.91 178.38 2dky h ILE 17 N 0.47 0.39 0.47 -0.10 1.08 -1.97 -0.67 117.51 117.19 2dky h ILE 17 Ca 0.41 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.86 2dky h ILE 17 Cb 0.60 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 34.75 2dky h ILE 17 CO -0.39 0.00 -0.23 0.25 -0.69 0.00 0.00 178.15 177.10 2dky h LEU 18 N -0.36 -0.53 -0.76 1.44 6.46 -1.72 -2.69 115.31 117.15 2dky h LEU 18 Ca 0.09 0.01 0.17 0.00 -0.12 0.00 0.00 57.88 58.02 2dky h LEU 18 Cb 0.48 0.14 -0.14 0.00 -0.73 0.00 0.00 40.66 40.41 2dky h LEU 18 CO -0.28 -0.36 -0.07 0.74 -0.62 0.00 0.00 178.44 177.84 2dky h THR 19 N -0.65 0.29 -0.37 1.05 2.02 -0.91 0.10 112.91 114.44 2dky h THR 19 Ca -0.06 -0.02 0.06 0.00 0.77 0.00 0.00 66.41 67.15 2dky h THR 19 Cb 0.50 0.23 -0.05 0.00 -1.74 0.00 0.00 68.15 67.08 2dky h THR 19 CO 0.11 0.01 0.06 -0.61 0.37 0.00 0.00 175.52 175.46 2dky h GLN 20 N 0.06 0.17 0.01 6.66 4.15 -0.95 -2.05 115.11 123.16 2dky h GLN 20 Ca 0.40 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.83 2dky h GLN 20 Cb 0.68 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.30 2dky h GLN 20 CO -0.72 0.11 -0.17 0.82 -1.93 0.00 0.00 178.83 176.95 2dky h ILE 21 N 0.18 0.60 0.01 2.39 2.04 -0.51 0.96 117.51 123.17 2dky h ILE 21 Ca 0.18 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.06 2dky h ILE 21 Cb 0.21 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 36.83 2dky h ILE 21 CO -0.24 0.00 -0.54 -0.33 0.00 0.00 0.00 178.15 177.04 2dky h GLU 22 N -0.28 -0.66 -0.15 2.37 4.39 -0.90 -1.71 114.58 117.64 2dky h GLU 22 Ca 0.05 0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.84 2dky h GLU 22 Cb 0.34 0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 29.10 2dky h GLU 22 CO -0.15 -0.44 -0.13 0.00 -1.16 0.00 0.00 179.01 177.13 2dky h ALA 23 N -0.42 -0.02 -0.56 3.43 0.00 -1.24 -2.92 119.26 117.52 2dky h ALA 23 Ca 0.01 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2dky h ALA 23 Cb 0.73 0.28 -0.08 0.00 0.00 0.00 0.00 17.79 18.71 2dky h ALA 23 CO -0.35 -0.57 -0.46 0.87 0.00 0.00 0.00 179.25 178.73 2dky h LYS 24 N -0.14 -0.16 -0.93 0.00 1.57 -0.34 0.60 116.57 117.16 2dky h LYS 24 Ca 0.10 0.01 0.18 0.00 -1.87 0.00 0.00 60.65 59.07 2dky h LYS 24 Cb 0.29 0.04 -0.17 0.00 0.08 0.00 0.00 32.23 32.46 2dky h LYS 24 CO -0.24 -0.11 -0.24 0.39 -0.57 0.00 0.00 179.45 178.68 2dky n GLU 25 N -4.84 -0.09 0.04 3.15 -0.58 -0.69 0.38 120.64 118.02 2dky n GLU 25 Ca -0.01 1.45 -0.11 0.00 -0.42 0.00 0.00 57.16 58.07 2dky n GLU 25 Cb 0.24 -2.16 -0.06 0.00 -0.57 0.00 0.00 31.44 28.90 2dky n GLU 25 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dky h ALA 26 N 1.82 -0.05 0.16 0.62 0.00 -0.89 -2.16 119.26 118.75 2dky h ALA 26 Ca 0.44 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.37 2dky h ALA 26 Cb 0.67 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 2dky h ALA 26 CO -0.95 -0.55 -0.37 0.00 0.00 0.00 0.00 179.25 177.38 2dky h ASP 28 N -0.63 0.26 0.18 0.00 3.58 -0.94 -1.66 116.42 117.22 2dky h ASP 28 Ca 0.02 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 2dky h ASP 28 Cb 0.64 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.68 2dky h ASP 28 CO -0.19 0.08 -0.09 -0.25 -2.88 0.00 0.00 179.24 175.91 2dky h TRP 29 N 0.25 -0.23 -1.09 0.28 7.01 -0.51 0.70 115.95 122.35 2dky h TRP 29 Ca 0.50 -0.01 0.33 0.00 2.11 0.00 0.00 58.89 61.83 2dky h TRP 29 Cb 1.51 0.07 -0.13 0.00 -2.10 0.00 0.00 29.16 28.51 2dky h TRP 29 CO -0.00 0.16 0.67 -0.07 -2.79 0.00 0.00 178.44 176.41 2dky h LEU 30 N -0.92 0.44 0.00 0.65 3.38 0.02 2.04 115.31 120.92 2dky h LEU 30 Ca -0.02 0.15 -0.20 0.00 0.09 0.00 0.00 57.88 57.90 2dky h LEU 30 Cb 0.49 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 2dky h LEU 30 CO 0.04 -0.08 -1.30 -0.09 0.09 0.00 0.00 178.44 177.10 2dky h ARG 31 N 0.29 0.00 -0.41 1.13 2.43 -1.41 0.42 114.38 116.84 2dky h ARG 31 Ca 0.72 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.89 2dky h ARG 31 Cb 1.85 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.40 2dky h ARG 31 CO -0.48 0.46 0.00 0.00 -1.51 0.00 0.00 179.97 178.45 2dky n ALA 32 N -2.41 2.44 -0.05 2.80 0.00 0.23 -4.21 120.51 119.31 2dky n ALA 32 Ca -0.09 -0.86 -0.08 0.00 0.00 0.00 0.00 53.44 52.42 2dky n ALA 32 Cb 0.89 -0.97 -0.05 0.00 0.00 0.00 0.00 19.45 19.33 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 1.02 0.59 0.00 0.00 5.66 0.63 -4.95 114.28 117.22 2dky n THR 33 Ca 0.18 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 2dky n THR 33 Cb 0.47 -0.96 0.00 0.00 -1.55 0.00 0.00 70.33 68.29 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 2.93 0.22 3.12 1.09 0.00 -1.16 -5.07 105.19 106.31 2dky n GLY 34 Ca -0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 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 3.88 0.13 1.61 0.08 0.15 -4.87 117.98 118.96 2dky s PHE 35 Ca 0.00 -2.98 0.34 0.00 0.12 0.00 0.00 56.93 54.41 2dky s PHE 35 Cb 0.00 -3.28 1.41 0.00 -0.57 0.00 0.00 43.02 40.59 2dky s PHE 35 CO 0.00 -0.76 2.00 -1.00 -0.10 0.00 0.00 175.22 175.36 2dky h PRO 36 N 6.14 0.00 -0.13 0.24 0.13 -1.77 -2.93 132.00 133.68 2dky h PRO 36 Ca 0.15 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.10 2dky h PRO 36 Cb 0.83 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 2dky h PRO 36 CO 0.85 0.01 -0.66 -0.56 -0.23 0.00 0.00 178.00 177.40 2dky h GLN 37 N 0.00 0.50 0.00 0.86 3.07 -1.89 -2.79 115.11 114.85 2dky h GLN 37 Ca -0.00 -0.37 -0.03 0.00 0.09 0.00 0.00 58.65 58.34 2dky h GLN 37 Cb 0.49 0.06 -0.00 0.00 0.08 0.00 0.00 27.48 28.11 2dky h GLN 37 CO 0.00 0.99 -0.16 1.88 0.09 0.00 0.00 178.83 181.64 2dky h TYR 38 N 0.36 0.00 0.00 0.06 0.05 -1.84 -1.07 116.97 114.53 2dky h TYR 38 Ca -0.02 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.70 2dky h TYR 38 Cb 1.23 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.96 2dky h TYR 38 CO 0.05 0.16 -0.63 0.00 -1.05 0.00 0.00 178.16 176.68 2dky h ALA 39 N 1.84 0.72 0.19 3.88 0.00 -1.62 -3.34 119.26 120.94 2dky h ALA 39 Ca -0.00 -0.29 -0.27 0.00 0.00 0.00 0.00 54.91 54.35 2dky h ALA 39 Cb 0.31 0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.15 2dky h ALA 39 CO 0.02 0.35 -1.22 0.37 0.00 0.00 0.00 179.25 178.78 2dky h GLN 40 N 0.00 0.40 -0.75 0.00 4.15 -1.06 -3.13 115.11 114.72 2dky h GLN 40 Ca -0.03 -0.69 0.16 0.00 0.77 0.00 0.00 58.65 58.86 2dky h GLN 40 Cb 1.22 0.26 -0.11 0.00 0.21 0.00 0.00 27.48 29.06 2dky h GLN 40 CO 0.03 1.33 0.22 -0.07 -1.93 0.00 0.00 178.83 178.41 2dky h LEU 41 N -0.12 0.09 -0.60 -2.39 3.38 -1.35 0.72 115.31 115.03 2dky h LEU 41 Ca -0.22 0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 2dky h LEU 41 Cb 1.91 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.82 2dky h LEU 41 CO 0.20 -0.01 -0.37 0.22 0.09 0.00 0.00 178.44 178.56 2dky h TYR 42 N 0.31 0.81 0.00 1.13 5.03 -1.69 -1.27 116.97 121.30 2dky h TYR 42 Ca 0.43 -0.23 -0.00 0.00 2.58 0.00 0.00 58.73 61.50 2dky h TYR 42 Cb 0.72 -0.18 -0.00 0.00 1.55 0.00 0.00 36.73 38.82 2dky h TYR 42 CO -0.23 0.96 -0.02 0.93 -1.32 0.00 0.00 178.16 178.48 2dky h GLU 43 N 0.57 0.00 -0.33 1.82 5.08 -0.84 0.10 114.58 120.98 2dky h GLU 43 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2dky h GLU 43 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 2dky h GLU 43 CO 0.08 0.02 0.00 -3.47 -1.00 0.00 0.00 179.01 174.64 2dky n ASP 44 N -4.12 2.56 -3.06 1.42 -0.08 -0.62 -4.94 116.55 107.71 2dky n ASP 44 Ca -0.03 -1.89 -0.16 0.00 -1.51 0.00 0.00 54.79 51.20 2dky n ASP 44 Cb 0.10 -0.22 0.07 0.00 2.34 0.00 0.00 41.12 43.42 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 0.90 -2.06 -0.07 -0.67 3.01 0.35 -4.94 117.46 113.99 2dky n PHE 45 Ca 0.17 0.81 -0.12 0.00 1.01 0.00 0.00 57.45 59.33 2dky n PHE 45 Cb 0.45 -4.52 -0.15 0.00 -0.01 0.00 0.00 39.48 35.25 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 -3.88 0.90 -4.52 4.37 4.77 -0.50 -4.97 117.00 113.17 2dky n LEU 46 Ca -0.15 0.15 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 2dky n LEU 46 Cb 0.61 0.07 0.15 0.00 -2.33 0.00 0.00 43.42 41.92 2dky n LEU 46 CO 0.52 0.55 0.24 0.49 -1.33 0.00 0.00 177.39 177.86 2dky n PHE 47 N -2.98 -0.49 -1.22 -1.77 3.01 -1.26 -4.66 117.46 108.10 2dky n PHE 47 Ca -0.29 0.28 -0.30 0.00 1.01 0.00 0.00 57.45 58.15 2dky n PHE 47 Cb 1.09 -1.86 0.13 0.00 -0.01 0.00 0.00 39.48 38.83 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 -4.08 1.52 0.45 -1.08 0.04 -1.26 -4.81 135.00 125.77 2dky s PRO 48 Ca 0.61 0.91 0.07 0.00 0.04 0.00 0.00 61.00 62.63 2dky s PRO 48 Cb -0.22 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 2dky s PRO 48 CO 0.63 -2.09 0.30 0.96 0.04 0.00 0.00 177.00 176.85 2dky s ILE 49 N -2.93 2.23 -0.94 0.56 -4.36 -1.26 -5.05 121.20 109.44 2dky s ILE 49 Ca 0.63 -1.53 -0.23 0.00 -0.26 0.00 0.00 60.65 59.26 2dky s ILE 49 Cb -0.18 -2.76 0.06 0.00 1.25 0.00 0.00 42.46 40.83 2dky s ILE 49 CO 0.57 0.00 1.35 -1.81 0.24 0.00 0.00 174.94 175.29 2dky s ASP 50 N -4.08 6.45 0.05 4.36 1.11 -1.26 -4.88 116.67 118.43 2dky s ASP 50 Ca 0.41 -1.35 -0.29 0.00 0.18 0.00 0.00 52.55 51.50 2dky s ASP 50 Cb -0.00 -2.54 -0.15 0.00 1.07 0.00 0.00 42.92 41.30 2dky s ASP 50 CO 0.23 -1.50 1.44 0.40 1.18 0.00 0.00 175.17 176.93 2dky h ILE 51 N 6.49 0.00 -1.20 0.77 1.08 -1.99 -1.70 117.51 120.97 2dky h ILE 51 Ca 0.09 0.00 0.39 0.00 -0.39 0.00 0.00 64.86 64.96 2dky h ILE 51 Cb 1.02 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 34.64 2dky h ILE 51 CO 1.35 0.00 0.75 0.77 -0.69 0.00 0.00 178.15 180.33 2dky h SER 52 N -0.96 0.32 -0.27 1.72 4.64 -2.01 0.67 113.55 117.67 2dky h SER 52 Ca -0.09 0.15 -0.07 0.00 -0.47 0.00 0.00 61.79 61.31 2dky h SER 52 Cb 0.77 0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.98 2dky h SER 52 CO 0.09 -0.17 -0.12 0.25 -0.87 0.00 0.00 176.83 176.00 2dky h LEU 53 N 0.15 0.57 -1.95 5.97 7.12 -1.85 -2.66 115.31 122.66 2dky h LEU 53 Ca 0.78 -0.41 0.22 0.00 0.13 0.00 0.00 57.88 58.61 2dky h LEU 53 Cb 2.26 -0.16 -0.03 0.00 -0.53 0.00 0.00 40.66 42.21 2dky h LEU 53 CO -0.47 0.85 0.61 0.58 -0.13 0.00 0.00 178.44 179.87 2dky h VAL 54 N 0.29 0.48 0.11 1.05 2.07 0.13 0.09 116.25 120.46 2dky h VAL 54 Ca 0.06 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.39 2dky h VAL 54 Cb 0.63 0.56 0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2dky h VAL 54 CO 0.04 0.00 -0.90 0.11 0.02 0.00 0.00 177.57 176.84 2dky h LYS 55 N 0.00 0.24 -0.72 1.57 1.57 -1.27 -2.68 116.57 115.28 2dky h LYS 55 Ca 0.36 -0.41 0.04 0.00 -1.87 0.00 0.00 60.65 58.77 2dky h LYS 55 Cb 1.57 0.15 -0.05 0.00 0.08 0.00 0.00 32.23 33.98 2dky h LYS 55 CO -0.00 1.20 0.45 0.00 -0.57 0.00 0.00 179.45 180.52 2dky h ARG 56 N -0.45 0.83 -0.04 3.15 3.08 -0.72 0.55 114.38 120.78 2dky h ARG 56 Ca -0.18 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.80 2dky h ARG 56 Cb 1.59 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 31.45 2dky h ARG 56 CO 0.09 0.55 -0.04 0.93 -1.07 0.00 0.00 179.97 180.43 2dky h GLU 57 N 0.86 0.11 -1.10 0.04 5.08 -1.21 -3.18 114.58 115.17 2dky h GLU 57 Ca 0.30 -0.05 -0.54 0.00 -1.00 0.00 0.00 59.36 58.07 2dky h GLU 57 Cb 0.06 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.06 2dky h GLU 57 CO -0.13 0.55 0.69 0.72 -1.00 0.00 0.00 179.01 179.85 2dky n HIS 58 N -4.77 2.72 0.22 4.33 8.25 -1.01 -4.57 115.22 120.40 2dky n HIS 58 Ca -0.08 -2.39 0.13 0.00 -0.26 0.00 0.00 57.72 55.13 2dky n HIS 58 Cb 0.28 -1.17 0.75 0.00 1.12 0.00 0.00 29.99 30.97 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 1.53 0.00 -0.85 0.41 2.03 0.11 -1.80 116.42 117.85 2dky h ASP 59 Ca 0.53 0.00 0.08 0.00 -0.73 0.00 0.00 57.03 56.91 2dky h ASP 59 Cb 1.41 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.85 2dky h ASP 59 CO 1.23 0.00 0.51 2.19 -1.03 0.00 0.00 179.24 182.14 2dky h PHE 60 N 0.00 0.94 -2.90 4.15 -0.00 -1.83 -3.43 116.94 113.85 2dky h PHE 60 Ca 0.06 0.03 -0.53 0.00 -0.00 0.00 0.00 57.97 57.52 2dky h PHE 60 Cb 0.25 -0.30 0.22 0.00 -0.00 0.00 0.00 35.95 36.13 2dky h PHE 60 CO 0.00 0.43 -1.00 1.28 -0.00 0.00 0.00 178.31 179.02 2dky n LEU 61 N -4.67 -1.99 -4.83 2.10 4.77 -0.68 -4.95 117.00 106.75 2dky n LEU 61 Ca 0.13 0.25 -0.35 0.00 -0.03 0.00 0.00 56.01 56.01 2dky n LEU 61 Cb 0.23 -1.05 -0.06 0.00 -2.33 0.00 0.00 43.42 40.20 2dky n LEU 61 CO 0.29 -4.22 0.34 -1.81 -1.33 0.00 0.00 177.39 170.66 2dky s ASP 62 N -1.71 6.90 0.27 -1.43 1.01 -1.26 -4.88 116.67 115.57 2dky s ASP 62 Ca 0.52 1.24 -0.09 0.00 0.71 0.00 0.00 52.55 54.94 2dky s ASP 62 Cb -0.19 -2.35 0.43 0.00 1.01 0.00 0.00 42.92 41.81 2dky s ASP 62 CO 0.71 0.01 1.51 -1.14 0.21 0.00 0.00 175.17 176.48 2dky n ARG 63 N 0.53 -0.10 -0.13 8.23 0.63 -1.26 0.75 116.66 125.32 2dky n ARG 63 Ca -0.02 1.51 -0.06 0.00 -0.92 0.00 0.00 57.85 58.36 2dky n ARG 63 Cb 0.52 -2.25 0.03 0.00 0.45 0.00 0.00 32.46 31.20 2dky n ARG 63 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 2dky h ASP 64 N 0.00 0.24 -0.99 6.15 5.19 -2.00 0.23 116.42 125.24 2dky h ASP 64 Ca 0.45 0.03 0.01 0.00 -0.62 0.00 0.00 57.03 56.90 2dky h ASP 64 Cb 0.69 -0.01 -0.05 0.00 0.18 0.00 0.00 39.33 40.15 2dky h ASP 64 CO -0.99 0.18 0.66 0.00 -3.12 0.00 0.00 179.24 175.96 2dky h ALA 65 N 1.24 1.26 0.64 3.45 0.00 -0.04 -2.84 119.26 122.96 2dky h ALA 65 Ca 0.18 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2dky h ALA 65 Cb 0.12 -0.40 0.01 0.00 0.00 0.00 0.00 17.79 17.52 2dky h ALA 65 CO -0.15 0.64 -0.31 0.82 0.00 0.00 0.00 179.25 180.26 2dky h ILE 66 N 1.34 0.00 -0.92 0.00 1.08 -0.26 -2.60 117.51 116.14 2dky h ILE 66 Ca 0.36 -0.36 0.31 0.00 -0.39 0.00 0.00 64.86 64.79 2dky h ILE 66 Cb -0.15 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 33.43 2dky h ILE 66 CO -0.08 0.00 0.23 -0.62 -0.69 0.00 0.00 178.15 176.98 2dky n GLU 67 N -5.30 -0.07 0.07 2.37 1.02 0.01 0.53 120.64 119.27 2dky n GLU 67 Ca -0.11 1.33 -0.13 0.00 -0.02 0.00 0.00 57.16 58.24 2dky n GLU 67 Cb 0.34 -2.23 -0.08 0.00 -0.02 0.00 0.00 31.44 29.44 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 1.84 -0.16 -0.20 0.62 0.00 -1.48 -1.22 119.26 118.67 2dky h ALA 68 Ca 0.66 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.45 2dky h ALA 68 Cb 1.55 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.37 2dky h ALA 68 CO -0.80 -0.45 0.01 1.25 0.00 0.00 0.00 179.25 179.26 2dky h LEU 69 N -0.43 -0.04 -0.79 0.00 5.85 0.48 -2.39 115.31 118.00 2dky h LEU 69 Ca -0.02 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.77 2dky h LEU 69 Cb 0.35 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 2dky h LEU 69 CO 0.03 0.01 0.50 0.00 -0.34 0.00 0.00 178.44 178.63 2dky h ARG 71 N 0.97 0.01 0.11 0.00 3.08 -0.68 0.14 114.38 118.01 2dky h ARG 71 Ca 0.32 -0.00 -0.32 0.00 0.07 0.00 0.00 59.98 60.05 2dky h ARG 71 Cb 0.02 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 2dky h ARG 71 CO -0.11 0.01 -1.68 0.00 -1.07 0.00 0.00 179.97 177.11 2dky h ARG 72 N 0.01 0.24 0.47 0.04 -0.00 -1.16 -3.31 114.38 110.68 2dky h ARG 72 Ca 0.48 -0.41 -0.02 0.00 -0.50 0.00 0.00 59.98 59.54 2dky h ARG 72 Cb 1.91 0.15 -0.00 0.00 0.00 0.00 0.00 29.97 32.03 2dky h ARG 72 CO -0.01 1.20 -0.28 -0.07 0.00 0.00 0.00 179.97 180.80 2dky h LEU 73 N -0.20 -0.70 -0.95 3.04 3.38 -0.18 -2.60 115.31 117.09 2dky h LEU 73 Ca -0.37 0.04 0.19 0.00 0.09 0.00 0.00 57.88 57.83 2dky h LEU 73 Cb 1.85 0.21 -0.11 0.00 0.09 0.00 0.00 40.66 42.70 2dky h LEU 73 CO 0.05 -0.45 0.54 -0.55 0.09 0.00 0.00 178.44 178.12 2dky h ASN 74 N -0.72 0.66 -0.85 -0.43 7.08 -1.00 0.22 115.58 120.54 2dky h ASN 74 Ca -0.05 0.11 0.16 0.00 -3.08 0.00 0.00 56.30 53.43 2dky h ASN 74 Cb 0.58 0.00 -0.06 0.00 -2.08 0.00 0.00 38.32 36.76 2dky h ASN 74 CO 0.06 0.21 0.56 0.74 -2.08 0.00 0.00 177.43 176.91 2dky h THR 75 N 0.66 0.78 0.00 6.14 2.02 -1.55 0.04 112.91 121.00 2dky h THR 75 Ca 0.56 -0.18 -0.13 0.00 0.77 0.00 0.00 66.41 67.42 2dky h THR 75 Cb 0.90 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 2dky h THR 75 CO -0.41 0.10 -1.19 -0.07 0.37 0.00 0.00 175.52 174.31 2dky h LEU 76 N 0.52 0.00 -1.63 2.58 3.38 -0.55 -2.83 115.31 116.78 2dky h LEU 76 Ca 0.43 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.46 2dky h LEU 76 Cb 0.88 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 2dky h LEU 76 CO -0.17 0.48 0.35 0.78 0.09 0.00 0.00 178.44 179.97 2dky h ASN 77 N 0.00 0.39 0.04 -0.43 -0.26 0.94 -1.59 115.58 114.67 2dky h ASN 77 Ca -0.11 0.00 -0.38 0.00 -0.56 0.00 0.00 56.30 55.25 2dky h ASN 77 Cb 1.47 -0.08 -0.06 0.00 -1.06 0.00 0.00 38.32 38.58 2dky h ASN 77 CO 0.04 0.25 -2.36 2.29 -1.06 0.00 0.00 177.43 176.59 2dky n LYS 78 N -4.47 0.67 0.00 0.81 2.85 -1.07 -3.74 118.16 113.20 2dky n LYS 78 Ca 0.07 0.14 0.03 0.00 -1.05 0.00 0.00 58.31 57.50 2dky n LYS 78 Cb 0.26 -1.56 0.14 0.00 -0.65 0.00 0.00 35.03 33.22 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 -1.31 2.76 -0.03 0.00 0.00 -0.61 -4.57 120.51 116.74 2dky n ALA 80 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2dky n ALA 80 Cb 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.28 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 -1.18 0.14 1.36 0.00 3.14 -0.13 -4.61 118.33 117.05 2dky n VAL 81 Ca 0.01 -0.55 0.07 0.00 -2.96 0.00 0.00 64.34 60.91 2dky n VAL 81 Cb 0.10 0.96 0.41 0.00 -1.06 0.00 0.00 33.84 34.25 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 -0.07 0.68 -0.01 1.45 3.85 0.21 -3.12 117.12 120.13 2dky n MET 82 Ca 0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 57.70 56.51 2dky n MET 82 Cb 0.04 -1.31 -0.14 0.00 -1.05 0.00 0.00 33.22 30.76 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 0.18 0.00 3.17 3.64 -1.83 -3.40 116.57 118.33 2dky h LYS 83 Ca 0.00 -0.31 -0.01 0.00 -1.27 0.00 0.00 60.65 59.07 2dky h LYS 83 Cb 0.00 0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2dky h LYS 83 CO 0.00 1.15 -0.06 -0.07 -2.27 0.00 0.00 179.45 178.20 2dky h LEU 84 N -0.59 0.00 -9.65 5.20 4.07 -1.91 -3.46 115.31 108.97 2dky h LEU 84 Ca -0.16 -0.31 -0.58 0.00 0.08 0.00 0.00 57.88 56.91 2dky h LEU 84 Cb 1.46 0.00 0.12 0.00 1.08 0.00 0.00 40.66 43.32 2dky h LEU 84 CO 0.06 0.69 0.33 -0.62 -1.08 0.00 0.00 178.44 177.81 2dky n GLU 85 N -4.71 1.73 0.01 1.13 1.02 -1.18 -4.91 120.64 113.72 2dky n GLU 85 Ca -0.04 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 2dky n GLU 85 Cb 0.17 -2.13 0.00 0.00 -0.02 0.00 0.00 31.44 29.46 2dky n GLU 85 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2dky n SER 86 N 0.80 0.03 -0.60 1.62 2.88 -1.26 -4.84 113.62 112.25 2dky n SER 86 Ca 0.07 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 2dky n SER 86 Cb 0.36 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 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 2.32 -0.33 3.72 0.46 0.00 -1.26 -4.66 105.19 105.44 2dky n GLY 87 Ca 0.00 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 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 4.36 0.64 1.61 0.04 -1.26 -5.01 135.00 135.38 2dky s PRO 88 Ca 0.00 2.04 -0.13 0.00 0.04 0.00 0.00 61.00 62.95 2dky s PRO 88 Cb 0.00 -3.24 -0.02 0.00 0.04 0.00 0.00 34.50 31.29 2dky s PRO 88 CO 0.00 -0.35 1.05 -1.12 0.04 0.00 0.00 177.00 176.62 2dky s SER 89 N 0.80 5.71 -0.04 6.66 0.01 -1.26 -5.07 113.70 120.51 2dky s SER 89 Ca 0.61 1.63 0.01 0.00 1.31 0.00 0.00 55.95 59.51 2dky s SER 89 Cb -0.36 -2.50 0.02 0.00 0.21 0.00 0.00 66.02 63.39 2dky s SER 89 CO 0.33 -1.22 -0.03 -0.94 0.41 0.00 0.00 173.24 171.79 2dky s SER 90 N -3.53 0.77 0.00 2.44 1.04 -1.26 -5.30 113.70 107.86 2dky s SER 90 Ca 0.59 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.92 2dky s SER 90 Cb -0.14 -0.38 0.00 0.00 0.10 0.00 0.00 66.02 65.61 2dky s SER 90 CO 0.48 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 175.25