#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 -0.16 -0.13 1.61 7.64 -1.26 -4.86 113.62 116.46 2dky n SER 2 Ca 0.00 -1.13 -0.24 0.00 1.01 0.00 0.00 58.87 58.51 2dky n SER 2 Cb 0.00 -2.35 -0.11 0.00 -1.01 0.00 0.00 64.21 60.74 2dky n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dky n SER 3 N -2.89 1.96 0.00 6.43 2.88 -1.26 -5.13 113.62 115.62 2dky n SER 3 Ca -0.26 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 2dky n SER 3 Cb 0.66 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 2dky n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dky n GLY 4 N 1.73 0.13 3.67 0.46 0.00 -1.26 -5.08 105.19 104.85 2dky n GLY 4 Ca -0.50 -2.26 -0.24 0.00 0.00 0.00 0.00 46.02 43.01 2dky n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dky s SER 5 N -4.00 4.32 -0.53 1.61 0.15 -1.26 -5.03 113.70 108.95 2dky s SER 5 Ca 0.00 -0.98 -0.02 0.00 0.70 0.00 0.00 55.95 55.65 2dky s SER 5 Cb 0.00 -0.56 0.31 0.00 -1.71 0.00 0.00 66.02 64.07 2dky s SER 5 CO 0.00 -0.33 2.11 -1.54 1.20 0.00 0.00 173.24 174.68 2dky n SER 6 N -1.06 7.11 -4.45 5.45 3.41 -1.26 -4.90 113.62 117.92 2dky n SER 6 Ca -0.03 -3.46 -0.43 0.00 -0.26 0.00 0.00 58.87 54.68 2dky n SER 6 Cb 0.63 -1.05 -0.04 0.00 -0.26 0.00 0.00 64.21 63.50 2dky n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dky s GLY 7 N -0.78 1.41 0.16 5.00 0.00 -1.26 -5.02 107.32 106.83 2dky s GLY 7 Ca 0.50 -1.91 -0.19 0.00 0.00 0.00 0.00 44.72 43.13 2dky s GLY 7 CO -0.07 2.04 0.64 -3.16 0.00 0.00 0.00 173.10 172.55 2dky s MET 8 N 3.95 4.20 -0.05 2.90 0.23 -1.26 -5.08 119.30 124.18 2dky s MET 8 Ca 0.22 0.76 -0.02 0.00 -1.03 0.00 0.00 55.69 55.62 2dky s MET 8 Cb -0.17 -3.03 0.03 0.00 -1.53 0.00 0.00 34.83 30.14 2dky s MET 8 CO 0.09 0.50 0.11 0.00 -2.03 0.00 0.00 175.02 173.69 2dky h ARG 10 N 7.05 -0.32 -7.15 0.00 9.65 -2.01 -3.47 114.38 118.13 2dky h ARG 10 Ca -0.41 0.02 -0.46 0.00 -1.10 0.00 0.00 59.98 58.04 2dky h ARG 10 Cb 1.15 0.07 0.08 0.00 -1.39 0.00 0.00 29.97 29.88 2dky h ARG 10 CO 0.44 -0.21 0.13 0.15 2.80 0.00 0.00 179.97 183.28 2dky s LYS 11 N -2.70 1.90 0.01 0.20 -0.14 -1.26 -5.10 119.74 112.65 2dky s LYS 11 Ca -0.05 -0.78 -0.00 0.00 -1.36 0.00 0.00 55.97 53.78 2dky s LYS 11 Cb 0.00 -2.29 -0.04 0.00 -1.68 0.00 0.00 37.83 33.83 2dky s LYS 11 CO 0.15 -1.32 0.09 0.15 -0.76 0.00 0.00 175.35 173.66 2dky s LYS 12 N -5.14 3.08 0.00 1.68 3.01 -1.26 -5.07 119.74 116.04 2dky s LYS 12 Ca 0.63 -0.49 -0.30 0.00 -1.01 0.00 0.00 55.97 54.80 2dky s LYS 12 Cb -0.08 -2.87 -0.06 0.00 -1.01 0.00 0.00 37.83 33.82 2dky s LYS 12 CO 0.44 0.64 1.44 -1.25 0.51 0.00 0.00 175.35 177.13 2dky s PRO 13 N -1.84 4.26 0.09 -1.68 0.04 -1.26 -4.94 135.00 129.67 2dky s PRO 13 Ca 0.24 2.02 -0.28 0.00 0.04 0.00 0.00 61.00 63.02 2dky s PRO 13 Cb -0.12 -3.60 -0.15 0.00 0.04 0.00 0.00 34.50 30.66 2dky s PRO 13 CO 0.15 -0.61 1.68 -0.44 0.04 0.00 0.00 177.00 177.82 2dky h ASP 14 N 7.99 -0.44 -3.59 6.66 3.32 -2.04 -3.39 116.42 124.93 2dky h ASP 14 Ca -0.38 0.03 -0.68 0.00 0.02 0.00 0.00 57.03 56.02 2dky h ASP 14 Cb 1.18 0.13 -0.30 0.00 0.22 0.00 0.00 39.33 40.56 2dky h ASP 14 CO 0.91 -0.29 -0.69 0.42 -1.72 0.00 0.00 179.24 177.87 2dky s THR 15 N -6.12 3.26 -0.17 0.35 -4.23 -1.26 -4.95 115.64 102.52 2dky s THR 15 Ca -0.15 -1.00 -0.08 0.00 -1.18 0.00 0.00 61.69 59.28 2dky s THR 15 Cb 0.05 -2.71 -0.08 0.00 1.34 0.00 0.00 72.50 71.10 2dky s THR 15 CO 0.64 0.09 -0.22 0.80 -0.54 0.00 0.00 174.62 175.40 2dky n MET 16 N 4.73 0.37 0.00 3.99 1.56 -1.26 -4.60 117.12 121.90 2dky n MET 16 Ca -0.15 0.16 -0.11 0.00 -0.27 0.00 0.00 57.70 57.32 2dky n MET 16 Cb 0.47 -1.12 -0.09 0.00 2.15 0.00 0.00 33.22 34.62 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 -0.58 1.13 -0.77 1.12 5.03 -1.97 -3.32 117.51 118.15 2dky h ILE 17 Ca -0.43 -1.44 0.09 0.00 -0.12 0.00 0.00 64.86 62.96 2dky h ILE 17 Cb 1.39 1.96 -0.11 0.00 -3.03 0.00 0.00 36.82 37.04 2dky h ILE 17 CO -0.25 0.32 -0.39 -0.11 -0.68 0.00 0.00 178.15 177.03 2dky n LEU 18 N -4.82 -0.68 -0.18 1.44 0.00 -1.26 0.70 117.00 112.20 2dky n LEU 18 Ca -0.08 1.36 -0.03 0.00 0.00 0.00 0.00 56.01 57.26 2dky n LEU 18 Cb 0.30 -0.23 0.03 0.00 0.00 0.00 0.00 43.42 43.51 2dky n LEU 18 CO 0.27 -1.16 0.70 0.74 0.00 0.00 0.00 177.39 177.94 2dky h THR 19 N 0.00 0.32 -0.88 1.96 2.02 -1.81 0.68 112.91 115.20 2dky h THR 19 Ca 0.19 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.59 2dky h THR 19 Cb 0.38 0.32 -0.13 0.00 -1.74 0.00 0.00 68.15 66.98 2dky h THR 19 CO -0.74 0.00 0.35 1.56 0.37 0.00 0.00 175.52 177.06 2dky h GLN 20 N -0.09 0.34 0.63 6.66 1.08 0.19 -1.46 115.11 122.45 2dky h GLN 20 Ca 0.25 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.40 2dky h GLN 20 Cb 0.48 -0.08 0.01 0.00 -0.05 0.00 0.00 27.48 27.84 2dky h GLN 20 CO -0.60 0.22 -0.30 0.82 -0.95 0.00 0.00 178.83 178.02 2dky h ILE 21 N 0.35 0.00 -0.92 2.54 2.04 -0.44 0.10 117.51 121.17 2dky h ILE 21 Ca 0.55 -0.03 0.25 0.00 1.00 0.00 0.00 64.86 66.63 2dky h ILE 21 Cb 1.07 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.98 2dky h ILE 21 CO -0.56 0.00 0.10 -0.33 0.00 0.00 0.00 178.15 177.37 2dky h GLU 22 N -0.87 0.07 0.29 2.37 5.08 -0.95 -0.78 114.58 119.78 2dky h GLU 22 Ca -0.09 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2dky h GLU 22 Cb 0.64 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2dky h GLU 22 CO 0.14 0.05 -0.14 0.00 -1.00 0.00 0.00 179.01 178.06 2dky h ALA 23 N 1.89 -0.79 -0.82 3.43 0.00 -1.17 -3.25 119.26 118.54 2dky h ALA 23 Ca 0.57 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.52 2dky h ALA 23 Cb 1.17 0.15 -0.13 0.00 0.00 0.00 0.00 17.79 18.98 2dky h ALA 23 CO -0.80 -0.76 -0.31 1.17 0.00 0.00 0.00 179.25 178.54 2dky n LYS 24 N -3.40 -0.18 -0.36 0.00 3.00 0.34 0.34 118.16 117.90 2dky n LYS 24 Ca -0.05 1.26 -0.02 0.00 -0.00 0.00 0.00 58.31 59.50 2dky n LYS 24 Cb 0.15 -1.87 0.03 0.00 0.00 0.00 0.00 35.03 33.34 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 -0.03 0.16 1.64 5.08 -1.23 0.33 114.58 120.53 2dky h GLU 25 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2dky h GLU 25 Cb 0.50 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2dky h GLU 25 CO -0.81 -0.02 -0.14 0.00 -1.00 0.00 0.00 179.01 177.04 2dky h ALA 26 N 1.28 -0.29 0.29 3.43 0.00 -0.15 -2.44 119.26 121.39 2dky h ALA 26 Ca 0.32 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2dky h ALA 26 Cb 0.58 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 2dky h ALA 26 CO -0.94 -0.68 -0.48 0.00 0.00 0.00 0.00 179.25 177.14 2dky h ASP 28 N -0.82 0.46 0.05 0.00 1.82 -0.44 0.17 116.42 117.65 2dky h ASP 28 Ca -0.03 0.20 -0.00 0.00 -0.39 0.00 0.00 57.03 56.80 2dky h ASP 28 Cb 0.76 0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.93 2dky h ASP 28 CO -0.16 -0.19 -0.03 -0.25 -1.61 0.00 0.00 179.24 177.00 2dky h TRP 29 N 0.25 -0.07 -1.08 0.28 7.01 -0.80 0.72 115.95 122.28 2dky h TRP 29 Ca 0.76 -0.00 0.31 0.00 2.11 0.00 0.00 58.89 62.07 2dky h TRP 29 Cb 1.84 0.02 -0.12 0.00 -2.10 0.00 0.00 29.16 28.80 2dky h TRP 29 CO -0.01 0.37 0.66 -0.07 -2.79 0.00 0.00 178.44 176.61 2dky h LEU 30 N -0.53 0.47 0.03 0.65 3.38 0.12 1.92 115.31 121.36 2dky h LEU 30 Ca -0.01 0.13 -0.27 0.00 0.09 0.00 0.00 57.88 57.82 2dky h LEU 30 Cb 0.47 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 2dky h LEU 30 CO 0.01 -0.02 -1.49 -0.09 0.09 0.00 0.00 178.44 176.94 2dky h ARG 31 N 0.35 0.06 -0.04 1.13 2.43 -1.33 0.95 114.38 117.93 2dky h ARG 31 Ca 0.68 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.75 2dky h ARG 31 Cb 1.70 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.29 2dky h ARG 31 CO -0.43 0.78 0.00 0.00 -1.51 0.00 0.00 179.97 178.81 2dky n ALA 32 N -2.54 2.59 -0.08 2.80 0.00 0.11 -3.87 120.51 119.52 2dky n ALA 32 Ca -0.13 -0.40 -0.10 0.00 0.00 0.00 0.00 53.44 52.81 2dky n ALA 32 Cb 1.02 -1.22 -0.09 0.00 0.00 0.00 0.00 19.45 19.15 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 -0.05 1.00 0.00 0.00 5.66 0.61 -4.98 114.28 116.51 2dky n THR 33 Ca 0.19 -0.47 0.00 0.00 -3.05 0.00 0.00 64.05 60.72 2dky n THR 33 Cb 0.29 -0.93 0.00 0.00 -1.55 0.00 0.00 70.33 68.15 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 2.44 0.34 3.05 1.09 0.00 -1.15 -5.07 105.19 105.89 2dky n GLY 34 Ca -0.28 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.25 1.61 0.08 0.33 -4.89 117.98 118.59 2dky s PHE 35 Ca 0.00 -3.07 0.27 0.00 0.12 0.00 0.00 56.93 54.26 2dky s PHE 35 Cb 0.00 -3.10 1.14 0.00 -0.57 0.00 0.00 43.02 40.50 2dky s PHE 35 CO 0.00 -0.70 1.82 -1.00 -0.10 0.00 0.00 175.22 175.23 2dky h PRO 36 N 6.01 0.00 0.05 0.24 0.13 -1.79 -2.92 132.00 133.72 2dky h PRO 36 Ca 0.12 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 65.00 2dky h PRO 36 Cb 0.82 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 -1.08 -0.56 -0.23 0.00 0.00 178.00 176.93 2dky h GLN 37 N 0.00 0.50 0.00 0.86 3.07 -1.90 -2.96 115.11 114.68 2dky h GLN 37 Ca 0.00 -0.61 0.00 0.00 0.09 0.00 0.00 58.65 58.13 2dky h GLN 37 Cb 0.41 0.19 0.00 0.00 0.08 0.00 0.00 27.48 28.15 2dky h GLN 37 CO 0.00 1.23 0.00 1.88 0.09 0.00 0.00 178.83 182.03 2dky h TYR 38 N 0.25 0.00 0.00 0.06 0.05 -1.84 -0.60 116.97 114.90 2dky h TYR 38 Ca -0.12 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.59 2dky h TYR 38 Cb 1.74 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.47 2dky h TYR 38 CO 0.08 0.00 -1.30 0.00 -1.05 0.00 0.00 178.16 175.89 2dky n ALA 39 N -2.02 2.33 0.01 3.88 0.00 -1.19 -4.11 120.51 119.41 2dky n ALA 39 Ca -0.01 -0.40 -0.22 0.00 0.00 0.00 0.00 53.44 52.81 2dky n ALA 39 Cb 0.20 -0.99 -0.14 0.00 0.00 0.00 0.00 19.45 18.52 2dky n ALA 39 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2dky h GLN 40 N 0.00 0.26 -0.68 0.00 4.15 -1.18 -3.24 115.11 114.42 2dky h GLN 40 Ca -0.07 -0.45 0.14 0.00 0.77 0.00 0.00 58.65 59.04 2dky h GLN 40 Cb 1.23 0.17 -0.11 0.00 0.21 0.00 0.00 27.48 28.99 2dky h GLN 40 CO 0.02 1.22 0.09 -0.07 -1.93 0.00 0.00 178.83 178.15 2dky h LEU 41 N -0.20 -0.13 -0.67 -2.39 3.38 -1.32 0.36 115.31 114.34 2dky h LEU 41 Ca -0.34 0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.67 2dky h LEU 41 Cb 1.85 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 42.82 2dky h LEU 41 CO 0.07 -0.07 -0.16 0.22 0.09 0.00 0.00 178.44 178.59 2dky h TYR 42 N 0.20 0.97 0.00 1.13 5.03 -1.72 -1.15 116.97 121.42 2dky h TYR 42 Ca 0.37 -0.20 0.00 0.00 2.58 0.00 0.00 58.73 61.48 2dky h TYR 42 Cb 0.62 -0.24 0.00 0.00 1.55 0.00 0.00 36.73 38.66 2dky h TYR 42 CO -0.31 0.96 0.00 0.93 -1.32 0.00 0.00 178.16 178.41 2dky h GLU 43 N 0.77 0.00 -0.61 1.82 4.39 -0.97 -2.39 114.58 117.58 2dky h GLU 43 Ca 0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 2dky h GLU 43 Cb 0.68 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 2dky h GLU 43 CO 0.05 0.00 0.00 -0.25 -1.16 0.00 0.00 179.01 177.65 2dky n ASP 44 N -2.86 3.63 -3.52 1.42 8.00 0.10 -4.93 116.55 118.40 2dky n ASP 44 Ca 0.01 -2.22 -0.19 0.00 0.71 0.00 0.00 54.79 53.10 2dky n ASP 44 Cb 0.31 -0.47 0.08 0.00 -0.02 0.00 0.00 41.12 41.02 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 1.02 -2.28 -0.05 1.24 3.72 -0.90 -4.92 117.46 115.28 2dky n PHE 45 Ca 0.20 0.94 -0.03 0.00 -0.05 0.00 0.00 57.45 58.51 2dky n PHE 45 Cb 0.65 -4.94 -0.12 0.00 -0.94 0.00 0.00 39.48 34.13 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 -4.33 0.00 -4.72 4.37 4.77 -0.48 -5.01 117.00 111.60 2dky n LEU 46 Ca -0.22 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.45 2dky n LEU 46 Cb 0.65 0.26 0.13 0.00 -2.33 0.00 0.00 43.42 42.13 2dky n LEU 46 CO 0.63 0.26 0.68 -0.36 -1.33 0.00 0.00 177.39 177.28 2dky s PHE 47 N -2.57 2.13 0.77 -1.77 0.40 -1.25 -4.56 117.98 111.12 2dky s PHE 47 Ca -0.07 1.61 -0.11 0.00 -0.60 0.00 0.00 56.93 57.77 2dky s PHE 47 Cb 0.06 -3.18 0.05 0.00 0.51 0.00 0.00 43.02 40.47 2dky s PHE 47 CO 0.62 -2.32 1.09 -1.25 0.70 0.00 0.00 175.22 174.06 2dky s PRO 48 N -4.79 2.28 0.53 0.24 0.04 -1.26 -4.81 135.00 127.22 2dky s PRO 48 Ca 0.64 1.18 0.06 0.00 0.04 0.00 0.00 61.00 62.92 2dky s PRO 48 Cb -0.20 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.48 2dky s PRO 48 CO 0.57 -1.63 0.45 0.96 0.04 0.00 0.00 177.00 177.39 2dky s ILE 49 N -2.88 1.88 -0.83 0.56 -4.36 -1.26 -5.06 121.20 109.26 2dky s ILE 49 Ca 0.61 -1.41 -0.20 0.00 -0.26 0.00 0.00 60.65 59.39 2dky s ILE 49 Cb -0.17 -2.29 0.10 0.00 1.25 0.00 0.00 42.46 41.35 2dky s ILE 49 CO 0.55 0.00 1.08 -1.81 0.24 0.00 0.00 174.94 175.01 2dky s ASP 50 N -4.30 6.44 0.05 4.36 1.11 -1.26 -4.91 116.67 118.15 2dky s ASP 50 Ca 0.40 -1.59 -0.21 0.00 0.18 0.00 0.00 52.55 51.33 2dky s ASP 50 Cb -0.03 -2.42 -0.10 0.00 1.07 0.00 0.00 42.92 41.44 2dky s ASP 50 CO 0.25 -1.24 1.33 0.40 1.18 0.00 0.00 175.17 177.08 2dky h ILE 51 N 5.96 0.00 -1.17 0.77 1.08 -1.98 -1.89 117.51 120.28 2dky h ILE 51 Ca -0.02 0.00 0.44 0.00 -0.39 0.00 0.00 64.86 64.90 2dky h ILE 51 Cb 1.04 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 34.63 2dky h ILE 51 CO 1.16 0.00 0.70 -1.54 -0.69 0.00 0.00 178.15 177.78 2dky n SER 52 N -4.17 0.28 -0.03 1.72 3.41 -1.26 0.11 113.62 113.67 2dky n SER 52 Ca -0.07 1.50 -0.12 0.00 -0.26 0.00 0.00 58.87 59.92 2dky n SER 52 Cb 0.28 -0.74 -0.07 0.00 -0.26 0.00 0.00 64.21 63.42 2dky n SER 52 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2dky h LEU 53 N 0.00 0.17 -1.20 1.04 7.12 -1.81 -2.80 115.31 117.83 2dky h LEU 53 Ca 0.85 -0.35 0.39 0.00 0.13 0.00 0.00 57.88 58.91 2dky h LEU 53 Cb 2.50 -0.05 -0.14 0.00 -0.53 0.00 0.00 40.66 42.43 2dky h LEU 53 CO -0.61 0.48 0.70 0.58 -0.13 0.00 0.00 178.44 179.45 2dky h VAL 54 N -0.14 0.16 0.05 1.05 2.07 0.15 1.21 116.25 120.80 2dky h VAL 54 Ca 0.02 -0.05 -0.23 0.00 0.82 0.00 0.00 66.70 67.26 2dky h VAL 54 Cb 0.40 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 2dky h VAL 54 CO 0.01 0.03 -1.04 0.11 0.02 0.00 0.00 177.57 176.70 2dky h LYS 55 N 0.15 0.27 -0.45 1.57 1.57 -1.39 -1.21 116.57 117.07 2dky h LYS 55 Ca 0.79 -0.36 -0.09 0.00 -1.87 0.00 0.00 60.65 59.13 2dky h LYS 55 Cb 2.21 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 34.62 2dky h LYS 55 CO -0.54 1.10 -0.09 -0.09 -0.57 0.00 0.00 179.45 179.25 2dky h ARG 56 N 0.12 0.80 0.22 3.15 2.43 0.16 0.71 114.38 121.97 2dky h ARG 56 Ca -0.08 -0.26 -0.34 0.00 -0.81 0.00 0.00 59.98 58.49 2dky h ARG 56 Cb 1.71 -0.07 0.03 0.00 -0.42 0.00 0.00 29.97 31.22 2dky h ARG 56 CO 0.17 0.87 -1.56 0.93 -1.51 0.00 0.00 179.97 178.86 2dky h GLU 57 N 0.73 0.47 -0.79 0.20 5.08 -0.92 -3.33 114.58 116.03 2dky h GLU 57 Ca 0.13 -0.80 -0.45 0.00 -1.00 0.00 0.00 59.36 57.24 2dky h GLU 57 Cb 0.57 0.30 -0.25 0.00 0.50 0.00 0.00 28.75 29.87 2dky h GLU 57 CO 0.04 1.38 0.37 0.72 -1.00 0.00 0.00 179.01 180.52 2dky n HIS 58 N -3.65 2.49 -0.13 4.33 8.25 -0.46 -4.64 115.22 121.40 2dky n HIS 58 Ca -0.19 -2.03 0.11 0.00 -0.26 0.00 0.00 57.72 55.35 2dky n HIS 58 Cb 1.09 -0.87 0.45 0.00 1.12 0.00 0.00 29.99 31.78 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 1.27 0.47 -0.96 0.41 3.58 0.33 -1.30 116.42 120.23 2dky h ASP 59 Ca 0.49 0.01 0.13 0.00 0.42 0.00 0.00 57.03 58.08 2dky h ASP 59 Cb 2.03 -0.09 -0.09 0.00 1.72 0.00 0.00 39.33 42.90 2dky h ASP 59 CO 0.96 0.29 0.58 2.19 -2.88 0.00 0.00 179.24 180.38 2dky h PHE 60 N 0.53 1.05 -1.94 0.28 -0.00 -1.83 -3.43 116.94 111.59 2dky h PHE 60 Ca 0.31 0.03 -0.54 0.00 -0.00 0.00 0.00 57.97 57.77 2dky h PHE 60 Cb 0.50 -0.32 0.24 0.00 -0.00 0.00 0.00 35.95 36.36 2dky h PHE 60 CO -0.00 0.37 -1.91 1.28 -0.00 0.00 0.00 178.31 178.05 2dky n LEU 61 N -4.69 -5.15 -4.89 2.10 4.77 -0.49 -4.93 117.00 103.72 2dky n LEU 61 Ca 0.19 0.16 -0.30 0.00 -0.03 0.00 0.00 56.01 56.03 2dky n LEU 61 Cb 0.39 -0.75 0.06 0.00 -2.33 0.00 0.00 43.42 40.78 2dky n LEU 61 CO 0.25 -5.30 0.76 -1.81 -1.33 0.00 0.00 177.39 169.96 2dky s ASP 62 N -1.08 5.21 0.22 -1.43 1.11 -1.26 -4.84 116.67 114.61 2dky s ASP 62 Ca 0.41 1.05 -0.09 0.00 0.18 0.00 0.00 52.55 54.10 2dky s ASP 62 Cb -0.14 -1.77 0.21 0.00 1.07 0.00 0.00 42.92 42.29 2dky s ASP 62 CO 0.79 -1.48 1.89 -0.09 1.18 0.00 0.00 175.17 177.46 2dky h ARG 63 N -0.76 1.07 -0.09 8.23 2.43 -1.94 0.09 114.38 123.40 2dky h ARG 63 Ca -0.45 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 58.64 2dky h ARG 63 Cb 1.27 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 30.58 2dky h ARG 63 CO 0.64 0.71 0.01 0.22 -1.51 0.00 0.00 179.97 180.04 2dky h ASP 64 N 1.10 0.16 -0.20 -3.80 1.82 -1.99 0.11 116.42 113.62 2dky h ASP 64 Ca 0.31 -0.28 0.01 0.00 -0.39 0.00 0.00 57.03 56.68 2dky h ASP 64 Cb -0.09 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 39.87 2dky h ASP 64 CO -0.08 0.40 0.11 0.00 -1.61 0.00 0.00 179.24 178.06 2dky h ALA 65 N 0.76 0.25 0.51 -0.78 0.00 -1.88 -1.74 119.26 116.38 2dky h ALA 65 Ca 0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2dky h ALA 65 Cb 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2dky h ALA 65 CO 0.00 -0.30 -0.24 0.82 0.00 0.00 0.00 179.25 179.53 2dky h ILE 66 N 0.23 0.47 -0.50 0.00 1.08 -0.97 0.34 117.51 118.17 2dky h ILE 66 Ca 0.08 -0.22 0.08 0.00 -0.39 0.00 0.00 64.86 64.41 2dky h ILE 66 Cb 0.00 0.57 -0.10 0.00 -3.07 0.00 0.00 36.82 34.22 2dky h ILE 66 CO -0.04 0.04 -0.40 -0.33 -0.69 0.00 0.00 178.15 176.72 2dky h GLU 67 N -0.82 -0.24 0.27 2.37 4.39 -0.92 -1.03 114.58 118.61 2dky h GLU 67 Ca -0.07 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 2dky h GLU 67 Cb 0.58 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2dky h GLU 67 CO 0.11 -0.16 -0.13 0.00 -1.16 0.00 0.00 179.01 177.67 2dky h ALA 68 N 0.64 -0.37 -1.00 3.43 0.00 -1.31 -2.86 119.26 117.80 2dky h ALA 68 Ca 0.17 -0.16 0.39 0.00 0.00 0.00 0.00 54.91 55.32 2dky h ALA 68 Cb 0.57 0.14 -0.18 0.00 0.00 0.00 0.00 17.79 18.32 2dky h ALA 68 CO -0.63 -0.59 0.44 1.25 0.00 0.00 0.00 179.25 179.72 2dky h LEU 69 N -0.60 0.17 -0.24 0.00 5.85 0.27 0.85 115.31 121.61 2dky h LEU 69 Ca -0.04 0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.87 2dky h LEU 69 Cb 0.43 0.31 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 2dky h LEU 69 CO 0.06 -0.41 -0.14 0.00 -0.34 0.00 0.00 178.44 177.61 2dky h ARG 71 N 0.24 0.00 0.07 0.00 2.47 0.96 0.16 114.38 118.28 2dky h ARG 71 Ca 0.05 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 58.48 2dky h ARG 71 Cb 0.65 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.95 2dky h ARG 71 CO 0.04 0.00 -1.58 0.00 0.56 0.00 0.00 179.97 178.99 2dky h ARG 72 N 0.00 0.16 0.14 0.04 2.47 -1.25 -3.31 114.38 112.63 2dky h ARG 72 Ca 0.30 -0.27 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 2dky h ARG 72 Cb 1.77 0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 30.18 2dky h ARG 72 CO -0.00 1.13 -0.14 -0.07 0.56 0.00 0.00 179.97 181.45 2dky h LEU 73 N -0.43 -0.36 -0.81 3.04 3.38 -0.44 -2.55 115.31 117.14 2dky h LEU 73 Ca -0.37 0.03 0.14 0.00 0.09 0.00 0.00 57.88 57.78 2dky h LEU 73 Cb 1.69 0.13 -0.09 0.00 0.09 0.00 0.00 40.66 42.47 2dky h LEU 73 CO -0.04 -0.21 0.38 -0.55 0.09 0.00 0.00 178.44 178.11 2dky h ASN 74 N -0.31 0.42 -0.75 -0.43 7.08 -1.19 0.28 115.58 120.68 2dky h ASN 74 Ca 0.00 0.10 0.16 0.00 -3.08 0.00 0.00 56.30 53.48 2dky h ASN 74 Cb 0.29 0.04 -0.05 0.00 -2.08 0.00 0.00 38.32 36.52 2dky h ASN 74 CO -0.03 0.17 0.50 0.74 -2.08 0.00 0.00 177.43 176.73 2dky h THR 75 N 0.54 0.78 0.00 6.14 2.02 -1.55 -0.40 112.91 120.44 2dky h THR 75 Ca 0.44 -0.13 -0.19 0.00 0.77 0.00 0.00 66.41 67.31 2dky h THR 75 Cb 0.65 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 2dky h THR 75 CO -0.38 0.07 -1.47 0.18 0.37 0.00 0.00 175.52 174.29 2dky n LEU 76 N -4.47 0.86 -0.11 2.58 4.77 0.41 -2.64 117.00 118.41 2dky n LEU 76 Ca 0.14 0.38 0.11 0.00 -0.03 0.00 0.00 56.01 56.62 2dky n LEU 76 Cb 0.56 0.09 0.48 0.00 -2.33 0.00 0.00 43.42 42.21 2dky n LEU 76 CO 0.33 0.19 1.19 0.78 -1.33 0.00 0.00 177.39 178.55 2dky h ASN 77 N 0.00 0.42 0.04 -1.43 -0.26 0.12 -1.18 115.58 113.29 2dky h ASN 77 Ca -0.19 0.01 -0.38 0.00 -0.56 0.00 0.00 56.30 55.19 2dky h ASN 77 Cb 1.66 -0.08 -0.06 0.00 -1.06 0.00 0.00 38.32 38.78 2dky h ASN 77 CO 0.05 0.25 -2.36 2.29 -1.06 0.00 0.00 177.43 176.61 2dky n LYS 78 N -4.48 0.67 0.00 0.81 2.85 -1.07 -3.94 118.16 113.00 2dky n LYS 78 Ca 0.10 0.14 0.03 0.00 -1.05 0.00 0.00 58.31 57.54 2dky n LYS 78 Cb 0.36 -1.56 0.15 0.00 -0.65 0.00 0.00 35.03 33.33 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 1.54 0.06 0.00 0.00 -0.47 -4.45 120.51 115.86 2dky n ALA 80 Ca 0.03 -1.20 -0.04 0.00 0.00 0.00 0.00 53.44 52.22 2dky n ALA 80 Cb 0.05 -0.13 -0.08 0.00 0.00 0.00 0.00 19.45 19.29 2dky n ALA 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2dky h VAL 81 N 0.00 1.10 -1.47 0.00 2.07 -1.42 -3.33 116.25 113.20 2dky h VAL 81 Ca -0.51 -2.72 0.43 0.00 0.82 0.00 0.00 66.70 64.72 2dky h VAL 81 Cb 2.11 2.51 -0.06 0.00 -1.52 0.00 0.00 31.29 34.33 2dky h VAL 81 CO 0.01 0.63 1.18 1.15 0.02 0.00 0.00 177.57 180.56 2dky n MET 82 N -3.17 0.00 -0.07 1.57 0.00 -0.29 0.21 117.12 115.37 2dky n MET 82 Ca -0.05 0.92 -0.12 0.00 0.00 0.00 0.00 57.70 58.45 2dky n MET 82 Cb 0.89 -2.17 -0.05 0.00 0.00 0.00 0.00 33.22 31.90 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 0.41 -1.72 3.17 3.11 -1.87 -2.94 116.57 116.73 2dky h LYS 83 Ca 0.70 -0.15 0.50 0.00 -2.81 0.00 0.00 60.65 58.88 2dky h LYS 83 Cb 3.05 -0.02 -0.07 0.00 -1.00 0.00 0.00 32.23 34.19 2dky h LYS 83 CO -0.01 0.65 1.33 1.28 -2.81 0.00 0.00 179.45 179.89 2dky n LEU 84 N -4.61 0.00 -3.78 5.20 4.77 0.56 -4.69 117.00 114.45 2dky n LEU 84 Ca -0.04 0.90 -0.25 0.00 -0.03 0.00 0.00 56.01 56.59 2dky n LEU 84 Cb 0.28 -0.43 -0.07 0.00 -2.33 0.00 0.00 43.42 40.87 2dky n LEU 84 CO 0.38 -0.90 -0.28 -0.62 -1.33 0.00 0.00 177.39 174.63 2dky n GLU 85 N -3.70 -0.91 -3.58 3.23 1.02 -1.11 -4.87 120.64 110.72 2dky n GLU 85 Ca 0.39 0.07 -0.35 0.00 -0.02 0.00 0.00 57.16 57.25 2dky n GLU 85 Cb 1.84 -2.81 -0.06 0.00 -0.02 0.00 0.00 31.44 30.39 2dky n GLU 85 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2dky s SER 86 N -3.62 6.65 -0.65 1.62 1.04 -1.26 -4.92 113.70 112.56 2dky s SER 86 Ca 0.17 0.80 -0.15 0.00 0.48 0.00 0.00 55.95 57.25 2dky s SER 86 Cb -0.10 -2.18 -0.17 0.00 0.10 0.00 0.00 66.02 63.67 2dky s SER 86 CO 0.73 0.21 1.62 0.61 0.98 0.00 0.00 173.24 177.38 2dky n GLY 87 N 1.11 -0.32 3.76 7.32 0.00 -1.26 -4.80 105.19 111.00 2dky n GLY 87 Ca -0.10 0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.99 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 5.34 4.45 -0.10 1.61 0.04 -1.26 -5.03 135.00 140.06 2dky s PRO 88 Ca 0.87 2.05 -0.11 0.00 0.04 0.00 0.00 61.00 63.85 2dky s PRO 88 Cb -0.72 -3.13 -0.05 0.00 0.04 0.00 0.00 34.50 30.64 2dky s PRO 88 CO 0.34 -0.08 0.25 -1.12 0.04 0.00 0.00 177.00 176.43 2dky s SER 89 N -0.43 6.51 0.28 6.66 0.01 -1.26 -4.99 113.70 120.48 2dky s SER 89 Ca 0.49 0.61 -0.06 0.00 1.31 0.00 0.00 55.95 58.30 2dky s SER 89 Cb -0.37 -2.15 0.51 0.00 0.21 0.00 0.00 66.02 64.22 2dky s SER 89 CO 0.46 0.30 1.58 -1.28 0.41 0.00 0.00 173.24 174.71 2dky h SER 90 N 5.39 -0.73 0.00 2.44 0.87 -2.04 -3.56 113.55 115.92 2dky h SER 90 Ca -0.50 0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 2dky h SER 90 Cb 1.21 0.54 0.00 0.00 -0.44 0.00 0.00 62.40 63.70 2dky h SER 90 CO 0.64 -0.31 0.00 0.61 -0.53 0.00 0.00 176.83 177.24