#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 0.05 0.11 1.61 0.01 -1.26 -5.17 113.70 109.05 2dky s SER 2 Ca 0.00 -0.66 0.09 0.00 1.31 0.00 0.00 55.95 56.69 2dky s SER 2 Cb 0.00 0.38 -0.04 0.00 0.21 0.00 0.00 66.02 66.57 2dky s SER 2 CO 0.00 -0.79 -0.21 -0.44 0.41 0.00 0.00 173.24 172.22 2dky s SER 3 N -2.88 3.71 0.05 2.44 0.01 -1.26 -5.14 113.70 110.63 2dky s SER 3 Ca 0.07 -0.59 0.06 0.00 1.31 0.00 0.00 55.95 56.81 2dky s SER 3 Cb 0.04 -0.46 -0.02 0.00 0.21 0.00 0.00 66.02 65.78 2dky s SER 3 CO -0.09 0.19 -0.18 -0.83 0.41 0.00 0.00 173.24 172.74 2dky s GLY 4 N -2.00 1.01 0.23 3.44 0.00 -1.26 -5.15 107.32 103.60 2dky s GLY 4 Ca 0.16 -0.99 0.01 0.00 0.00 0.00 0.00 44.72 43.90 2dky s GLY 4 CO 0.08 -0.94 0.10 -0.45 0.00 0.00 0.00 173.10 171.89 2dky s SER 5 N -1.23 0.85 -0.30 1.64 0.15 -1.26 -5.14 113.70 108.41 2dky s SER 5 Ca 0.05 -1.37 -0.05 0.00 0.70 0.00 0.00 55.95 55.28 2dky s SER 5 Cb -0.09 0.23 0.19 0.00 -1.71 0.00 0.00 66.02 64.64 2dky s SER 5 CO 0.02 -0.75 0.82 -0.55 1.20 0.00 0.00 173.24 173.97 2dky s SER 6 N -3.25 -0.98 -0.86 5.45 0.15 -1.26 -5.08 113.70 107.86 2dky s SER 6 Ca 0.37 0.42 0.01 0.00 0.70 0.00 0.00 55.95 57.44 2dky s SER 6 Cb 0.07 1.74 0.27 0.00 -1.71 0.00 0.00 66.02 66.40 2dky s SER 6 CO 0.12 -0.18 1.07 0.61 1.20 0.00 0.00 173.24 176.06 2dky n GLY 7 N 5.39 4.88 3.74 9.45 0.00 -1.26 -5.04 105.19 122.36 2dky n GLY 7 Ca -0.00 -2.71 -0.36 0.00 0.00 0.00 0.00 46.02 42.96 2dky n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dky s MET 8 N -2.47 4.13 0.52 1.61 -1.94 -1.26 -5.07 119.30 114.82 2dky s MET 8 Ca 0.34 -0.13 -0.22 0.00 -1.71 0.00 0.00 55.69 53.98 2dky s MET 8 Cb 0.08 -3.40 -0.06 0.00 2.01 0.00 0.00 34.83 33.46 2dky s MET 8 CO 0.02 0.33 1.23 0.00 -0.01 0.00 0.00 175.02 176.59 2dky s ARG 10 N -2.92 -1.05 -0.26 0.00 3.00 -1.26 -5.07 118.95 111.39 2dky s ARG 10 Ca 0.69 0.31 -0.02 0.00 0.00 0.00 0.00 55.73 56.72 2dky s ARG 10 Cb -0.32 -1.58 0.15 0.00 0.00 0.00 0.00 34.95 33.20 2dky s ARG 10 CO 0.38 -3.68 0.45 -1.59 0.00 0.00 0.00 175.30 170.86 2dky s LYS 11 N -5.01 0.42 -1.10 3.54 -2.85 -1.26 -4.96 119.74 108.52 2dky s LYS 11 Ca 0.68 0.65 -0.14 0.00 -1.00 0.00 0.00 55.97 56.17 2dky s LYS 11 Cb -0.16 -0.15 0.02 0.00 -2.06 0.00 0.00 37.83 35.48 2dky s LYS 11 CO 0.59 -0.67 0.26 1.63 0.10 0.00 0.00 175.35 177.26 2dky n LYS 12 N 5.38 -0.67 -2.13 1.78 5.02 -1.26 -4.78 118.16 121.49 2dky n LYS 12 Ca -0.02 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.84 2dky n LYS 12 Cb 0.50 -2.29 -0.03 0.00 -0.02 0.00 0.00 35.03 33.20 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 -6.71 4.03 -0.03 1.97 0.04 -1.26 -4.92 135.00 128.11 2dky s PRO 13 Ca 0.19 1.86 -0.26 0.00 0.04 0.00 0.00 61.00 62.83 2dky s PRO 13 Cb -0.11 -3.96 -0.21 0.00 0.04 0.00 0.00 34.50 30.27 2dky s PRO 13 CO 0.78 -1.01 1.20 -0.44 0.04 0.00 0.00 177.00 177.57 2dky h ASP 14 N 9.78 -0.02 -0.91 6.66 3.32 -2.05 -3.24 116.42 129.96 2dky h ASP 14 Ca -0.34 -0.52 -0.58 0.00 0.02 0.00 0.00 57.03 55.60 2dky h ASP 14 Cb 1.15 0.01 -0.25 0.00 0.22 0.00 0.00 39.33 40.46 2dky h ASP 14 CO 0.98 0.52 0.75 0.35 -1.72 0.00 0.00 179.24 180.12 2dky n THR 15 N -4.84 3.40 -0.07 0.35 -2.24 -1.26 -4.66 114.28 104.95 2dky n THR 15 Ca -0.09 -2.65 -0.07 0.00 -2.27 0.00 0.00 64.05 58.97 2dky n THR 15 Cb 0.27 -1.22 -0.01 0.00 -2.10 0.00 0.00 70.33 67.27 2dky n THR 15 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 2dky h MET 16 N 1.93 -0.02 0.03 -0.78 -1.53 -1.97 -2.73 114.93 109.86 2dky h MET 16 Ca 0.52 0.00 -0.36 0.00 -3.44 0.00 0.00 59.70 56.42 2dky h MET 16 Cb 0.80 0.01 -0.05 0.00 -0.55 0.00 0.00 31.60 31.80 2dky h MET 16 CO 1.35 -0.02 -2.03 -0.89 0.14 0.00 0.00 176.91 175.46 2dky n ILE 17 N -5.26 1.58 -0.30 1.77 5.41 -1.26 -4.25 119.36 117.05 2dky n ILE 17 Ca -0.00 -0.38 0.06 0.00 1.00 0.00 0.00 62.75 63.43 2dky n ILE 17 Cb 0.18 -1.81 0.13 0.00 -0.71 0.00 0.00 39.64 37.44 2dky n ILE 17 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 2dky n LEU 18 N -3.94 -0.27 0.26 1.39 0.00 -1.24 0.18 117.00 113.39 2dky n LEU 18 Ca -0.41 1.43 -0.16 0.00 0.00 0.00 0.00 56.01 56.87 2dky n LEU 18 Cb 0.88 -0.44 -0.08 0.00 0.00 0.00 0.00 43.42 43.78 2dky n LEU 18 CO 0.21 -1.38 0.67 0.74 0.00 0.00 0.00 177.39 177.63 2dky h THR 19 N 0.00 0.39 -0.94 1.96 2.02 -1.69 -2.57 112.91 112.08 2dky h THR 19 Ca 0.41 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.88 2dky h THR 19 Cb 0.67 0.39 -0.16 0.00 -1.74 0.00 0.00 68.15 67.30 2dky h THR 19 CO -0.85 0.00 0.26 1.56 0.37 0.00 0.00 175.52 176.86 2dky h GLN 20 N -0.71 0.13 0.58 6.66 4.20 -0.44 0.84 115.11 126.37 2dky h GLN 20 Ca -0.05 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 2dky h GLN 20 Cb 0.60 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 2dky h GLN 20 CO 0.03 0.09 -0.39 0.82 -0.67 0.00 0.00 178.83 178.71 2dky h ILE 21 N 0.13 0.21 0.40 2.54 2.04 -0.99 0.40 117.51 122.24 2dky h ILE 21 Ca 0.63 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.48 2dky h ILE 21 Cb 1.38 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 2dky h ILE 21 CO -0.74 0.00 -0.37 -0.33 0.00 0.00 0.00 178.15 176.71 2dky h GLU 22 N -0.93 -0.76 -0.84 2.37 5.08 -0.77 -1.90 114.58 116.84 2dky h GLU 22 Ca -0.07 0.05 0.12 0.00 -1.00 0.00 0.00 59.36 58.46 2dky h GLU 22 Cb 0.77 0.17 -0.08 0.00 0.50 0.00 0.00 28.75 30.11 2dky h GLU 22 CO 0.05 -0.51 0.46 0.00 -1.00 0.00 0.00 179.01 178.01 2dky h ALA 23 N -0.37 1.23 -0.20 3.43 0.00 -0.91 -1.94 119.26 120.50 2dky h ALA 23 Ca -0.03 0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.98 2dky h ALA 23 Cb 0.70 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 2dky h ALA 23 CO -0.05 0.02 -0.10 -0.22 0.00 0.00 0.00 179.25 178.91 2dky h LYS 24 N 0.72 -0.07 -0.58 0.00 1.63 0.24 0.12 116.57 118.63 2dky h LYS 24 Ca 0.43 0.00 0.09 0.00 -0.85 0.00 0.00 60.65 60.32 2dky h LYS 24 Cb 0.49 0.02 -0.07 0.00 -0.60 0.00 0.00 32.23 32.06 2dky h LYS 24 CO -0.29 -0.05 0.21 0.93 -3.45 0.00 0.00 179.45 176.80 2dky h GLU 25 N -0.07 0.38 0.68 1.90 4.39 -0.58 0.28 114.58 121.55 2dky h GLU 25 Ca 0.11 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.75 2dky h GLU 25 Cb 0.24 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 28.81 2dky h GLU 25 CO -0.25 0.25 -0.33 0.00 -1.16 0.00 0.00 179.01 177.53 2dky h ALA 26 N 1.40 -0.91 0.10 3.43 0.00 -1.01 -2.48 119.26 119.79 2dky h ALA 26 Ca 0.29 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.01 2dky h ALA 26 Cb 0.35 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 2dky h ALA 26 CO -0.29 -0.91 -0.39 0.00 0.00 0.00 0.00 179.25 177.66 2dky h ASP 28 N -0.60 0.37 0.48 0.00 3.58 -0.51 -1.75 116.42 118.00 2dky h ASP 28 Ca 0.03 0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.55 2dky h ASP 28 Cb 0.64 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.74 2dky h ASP 28 CO -0.24 0.01 -0.23 -0.25 -2.88 0.00 0.00 179.24 175.65 2dky h TRP 29 N 0.30 -0.60 -1.38 0.28 7.01 -0.68 0.21 115.95 121.09 2dky h TRP 29 Ca 0.65 -0.01 0.47 0.00 2.11 0.00 0.00 58.89 62.10 2dky h TRP 29 Cb 1.80 0.20 -0.13 0.00 -2.10 0.00 0.00 29.16 28.94 2dky h TRP 29 CO -0.00 -0.37 0.90 1.28 -2.79 0.00 0.00 178.44 177.45 2dky n LEU 30 N -4.53 0.18 0.05 0.65 4.77 -0.69 0.20 117.00 117.63 2dky n LEU 30 Ca -0.08 1.27 -0.20 0.00 -0.03 0.00 0.00 56.01 56.98 2dky n LEU 30 Cb 0.26 -0.63 -0.14 0.00 -2.33 0.00 0.00 43.42 40.57 2dky n LEU 30 CO 0.19 -1.38 -0.54 -0.09 -1.33 0.00 0.00 177.39 174.25 2dky h ARG 31 N 0.00 0.29 -0.38 3.23 2.43 -1.40 0.38 114.38 118.93 2dky h ARG 31 Ca 0.84 -0.50 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 2dky h ARG 31 Cb 2.80 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 32.54 2dky h ARG 31 CO -0.39 1.17 0.00 0.00 -1.51 0.00 0.00 179.97 179.24 2dky n ALA 32 N -2.81 2.53 -0.04 2.80 0.00 0.43 -3.89 120.51 119.52 2dky n ALA 32 Ca -0.23 -0.59 -0.05 0.00 0.00 0.00 0.00 53.44 52.56 2dky n ALA 32 Cb 1.06 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 19.48 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 0.42 0.47 0.00 0.00 5.66 0.53 -4.96 114.28 116.41 2dky n THR 33 Ca 0.11 -0.20 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 2dky n THR 33 Cb 0.32 -0.80 0.00 0.00 -1.55 0.00 0.00 70.33 68.30 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 3.02 0.52 3.14 1.09 0.00 -1.18 -5.07 105.19 106.71 2dky n GLY 34 Ca -0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 2dky n GLY 34 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2dky n PHE 35 N 0.00 4.36 0.35 1.61 3.01 0.13 -4.86 117.46 122.06 2dky n PHE 35 Ca 0.00 -3.98 0.14 0.00 1.01 0.00 0.00 57.45 54.62 2dky n PHE 35 Cb 0.00 -1.27 0.58 0.00 -0.01 0.00 0.00 39.48 38.78 2dky n PHE 35 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2dky h PRO 36 N 6.04 0.00 0.01 -1.08 0.13 -1.73 -2.83 132.00 132.54 2dky h PRO 36 Ca 0.17 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.10 2dky h PRO 36 Cb 0.81 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 2dky h PRO 36 CO 0.93 0.00 -0.91 -0.56 -0.23 0.00 0.00 178.00 177.24 2dky h GLN 37 N 0.00 0.17 -0.08 0.86 -0.00 -1.89 -3.00 115.11 111.18 2dky h GLN 37 Ca 0.00 -0.20 -0.08 0.00 -0.00 0.00 0.00 58.65 58.37 2dky h GLN 37 Cb 0.41 0.06 -0.01 0.00 -0.00 0.00 0.00 27.48 27.94 2dky h GLN 37 CO 0.00 0.96 -0.30 1.88 -0.00 0.00 0.00 178.83 181.38 2dky h TYR 38 N 0.09 0.16 0.00 0.06 0.05 -1.82 -1.92 116.97 113.60 2dky h TYR 38 Ca -0.05 -0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.65 2dky h TYR 38 Cb 1.55 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 39.24 2dky h TYR 38 CO 0.03 0.43 -0.26 0.00 -1.05 0.00 0.00 178.16 177.31 2dky h ALA 39 N 1.57 0.84 0.24 3.88 0.00 -1.63 -3.30 119.26 120.86 2dky h ALA 39 Ca 0.02 -0.22 -0.33 0.00 0.00 0.00 0.00 54.91 54.38 2dky h ALA 39 Cb 0.60 -0.03 0.04 0.00 0.00 0.00 0.00 17.79 18.39 2dky h ALA 39 CO 0.04 0.30 -1.46 0.37 0.00 0.00 0.00 179.25 178.50 2dky h GLN 40 N 0.00 0.55 -0.72 0.00 4.15 -1.29 -3.17 115.11 114.62 2dky h GLN 40 Ca -0.00 -0.91 0.15 0.00 0.77 0.00 0.00 58.65 58.65 2dky h GLN 40 Cb 1.18 0.34 -0.10 0.00 0.21 0.00 0.00 27.48 29.11 2dky h GLN 40 CO 0.03 1.43 0.21 -0.07 -1.93 0.00 0.00 178.83 178.50 2dky h LEU 41 N 0.16 0.09 -0.68 -2.39 3.38 -1.44 0.34 115.31 114.77 2dky h LEU 41 Ca -0.25 0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 2dky h LEU 41 Cb 2.15 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 43.04 2dky h LEU 41 CO 0.27 0.01 -0.27 0.22 0.09 0.00 0.00 178.44 178.76 2dky h TYR 42 N 0.32 0.84 -0.06 1.13 5.03 -1.68 -1.55 116.97 121.00 2dky h TYR 42 Ca 0.40 -0.20 0.02 0.00 2.58 0.00 0.00 58.73 61.52 2dky h TYR 42 Cb 0.65 -0.20 -0.00 0.00 1.55 0.00 0.00 36.73 38.73 2dky h TYR 42 CO -0.23 0.92 0.05 0.93 -1.32 0.00 0.00 178.16 178.51 2dky h GLU 43 N 0.63 0.00 -0.38 1.82 5.08 -0.93 0.18 114.58 120.99 2dky h GLU 43 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2dky h GLU 43 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 2dky h GLU 43 CO 0.06 0.00 0.00 -3.47 -1.00 0.00 0.00 179.01 174.60 2dky n ASP 44 N -4.20 2.51 -3.06 1.42 2.03 -0.76 -4.93 116.55 109.57 2dky n ASP 44 Ca -0.02 -1.91 -0.18 0.00 0.52 0.00 0.00 54.79 53.20 2dky n ASP 44 Cb 0.15 -0.25 0.07 0.00 -0.72 0.00 0.00 41.12 40.37 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 0.87 -2.19 -0.05 -0.67 3.01 0.64 -4.93 117.46 114.14 2dky n PHE 45 Ca 0.17 0.82 -0.10 0.00 1.01 0.00 0.00 57.45 59.36 2dky n PHE 45 Cb 0.43 -4.46 -0.15 0.00 -0.01 0.00 0.00 39.48 35.29 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 -4.01 0.61 -4.63 4.37 4.77 -0.61 -4.96 117.00 112.53 2dky n LEU 46 Ca -0.09 0.25 -0.31 0.00 -0.03 0.00 0.00 56.01 55.83 2dky n LEU 46 Cb 0.59 0.25 0.17 0.00 -2.33 0.00 0.00 43.42 42.10 2dky n LEU 46 CO 0.53 0.45 0.59 0.49 -1.33 0.00 0.00 177.39 178.12 2dky n PHE 47 N -2.95 0.51 -1.22 -1.77 3.01 -1.26 -4.63 117.46 109.16 2dky n PHE 47 Ca -0.24 0.35 -0.30 0.00 1.01 0.00 0.00 57.45 58.27 2dky n PHE 47 Cb 1.09 -1.96 0.12 0.00 -0.01 0.00 0.00 39.48 38.73 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 -4.53 1.57 0.47 -1.08 0.04 -1.26 -4.73 135.00 125.48 2dky s PRO 48 Ca 0.66 0.93 0.06 0.00 0.04 0.00 0.00 61.00 62.70 2dky s PRO 48 Cb -0.23 -1.84 -0.01 0.00 0.04 0.00 0.00 34.50 32.47 2dky s PRO 48 CO 0.59 -2.05 0.31 0.96 0.04 0.00 0.00 177.00 176.85 2dky s ILE 49 N -2.92 2.12 -1.04 0.56 -4.36 -1.26 -5.05 121.20 109.24 2dky s ILE 49 Ca 0.63 -1.53 -0.21 0.00 -0.26 0.00 0.00 60.65 59.28 2dky s ILE 49 Cb -0.18 -2.65 0.08 0.00 1.25 0.00 0.00 42.46 40.96 2dky s ILE 49 CO 0.57 0.00 1.40 -1.81 0.24 0.00 0.00 174.94 175.33 2dky s ASP 50 N -4.11 6.60 0.06 4.36 1.01 -1.26 -4.88 116.67 118.46 2dky s ASP 50 Ca 0.39 -1.79 -0.23 0.00 0.71 0.00 0.00 52.55 51.63 2dky s ASP 50 Cb -0.00 -2.52 -0.10 0.00 1.01 0.00 0.00 42.92 41.30 2dky s ASP 50 CO 0.23 -1.32 1.37 0.40 0.21 0.00 0.00 175.17 176.06 2dky h ILE 51 N 6.31 0.00 -1.23 0.77 1.08 -1.98 -0.94 117.51 121.52 2dky h ILE 51 Ca 0.22 0.00 0.41 0.00 -0.39 0.00 0.00 64.86 65.11 2dky h ILE 51 Cb 0.99 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 34.61 2dky h ILE 51 CO 1.34 0.00 0.77 0.77 -0.69 0.00 0.00 178.15 180.34 2dky h SER 52 N -0.57 0.29 0.20 1.72 4.64 -2.02 0.25 113.55 118.08 2dky h SER 52 Ca -0.02 0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 2dky h SER 52 Cb 0.54 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 2dky h SER 52 CO -0.14 -0.20 -0.10 0.25 -0.87 0.00 0.00 176.83 175.77 2dky h LEU 53 N 0.11 -0.23 -0.92 5.97 5.85 -1.67 -3.07 115.31 121.34 2dky h LEU 53 Ca 0.81 -0.26 0.30 0.00 0.84 0.00 0.00 57.88 59.56 2dky h LEU 53 Cb 2.39 0.06 -0.17 0.00 0.37 0.00 0.00 40.66 43.31 2dky h LEU 53 CO -0.48 0.17 0.17 0.52 -0.34 0.00 0.00 178.44 178.49 2dky n VAL 54 N -5.04 -0.39 -0.11 1.05 0.31 0.87 0.13 118.33 115.16 2dky n VAL 54 Ca -0.09 1.98 -0.10 0.00 -0.01 0.00 0.00 64.34 66.13 2dky n VAL 54 Cb 0.25 -3.00 -0.02 0.00 -0.91 0.00 0.00 33.84 30.16 2dky n VAL 54 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2dky h LYS 55 N 0.00 0.55 -0.62 5.55 1.57 -1.49 -0.46 116.57 121.66 2dky h LYS 55 Ca 0.63 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 59.25 2dky h LYS 55 Cb 1.46 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.67 2dky h LYS 55 CO -0.82 0.61 0.27 0.00 -0.57 0.00 0.00 179.45 178.94 2dky h ARG 56 N 0.39 0.91 -0.04 3.15 3.08 0.12 -0.68 114.38 121.31 2dky h ARG 56 Ca 0.10 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2dky h ARG 56 Cb 0.32 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 2dky h ARG 56 CO 0.00 0.76 0.01 0.93 -1.07 0.00 0.00 179.97 180.60 2dky h GLU 57 N 0.86 0.07 -1.40 0.04 5.08 -0.51 -3.10 114.58 115.63 2dky h GLU 57 Ca 0.21 -0.02 -0.66 0.00 -1.00 0.00 0.00 59.36 57.89 2dky h GLU 57 Cb 0.16 -0.01 -0.26 0.00 0.50 0.00 0.00 28.75 29.14 2dky h GLU 57 CO -0.02 0.30 0.86 0.72 -1.00 0.00 0.00 179.01 179.86 2dky n HIS 58 N -4.92 2.89 -0.15 4.33 8.25 -0.19 -4.65 115.22 120.77 2dky n HIS 58 Ca -0.07 -2.65 0.10 0.00 -0.26 0.00 0.00 57.72 54.84 2dky n HIS 58 Cb 0.15 -1.33 0.43 0.00 1.12 0.00 0.00 29.99 30.37 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 2.29 0.52 -0.98 0.41 2.03 -1.04 -1.12 116.42 118.53 2dky h ASP 59 Ca 0.55 0.01 0.22 0.00 -0.73 0.00 0.00 57.03 57.09 2dky h ASP 59 Cb 0.59 -0.10 -0.09 0.00 -0.83 0.00 0.00 39.33 38.91 2dky h ASP 59 CO 1.42 0.31 0.63 2.19 -1.03 0.00 0.00 179.24 182.76 2dky h PHE 60 N 0.57 0.71 -2.75 4.15 -5.15 -1.86 -3.42 116.94 109.19 2dky h PHE 60 Ca 0.32 0.02 -0.50 0.00 -0.20 0.00 0.00 57.97 57.61 2dky h PHE 60 Cb 0.48 -0.21 0.23 0.00 0.22 0.00 0.00 35.95 36.67 2dky h PHE 60 CO -0.00 0.13 -0.98 1.28 -2.00 0.00 0.00 178.31 176.74 2dky n LEU 61 N -4.61 -1.62 -4.96 2.10 4.77 -0.43 -4.99 117.00 107.26 2dky n LEU 61 Ca 0.23 0.12 -0.22 0.00 -0.03 0.00 0.00 56.01 56.11 2dky n LEU 61 Cb 0.74 -1.04 -0.00 0.00 -2.33 0.00 0.00 43.42 40.79 2dky n LEU 61 CO 0.27 -3.55 0.18 -1.81 -1.33 0.00 0.00 177.39 171.15 2dky s ASP 62 N -1.82 6.03 0.21 -1.43 1.01 -1.26 -4.88 116.67 114.52 2dky s ASP 62 Ca 0.54 0.21 -0.14 0.00 0.71 0.00 0.00 52.55 53.87 2dky s ASP 62 Cb -0.16 -1.63 0.22 0.00 1.01 0.00 0.00 42.92 42.37 2dky s ASP 62 CO 0.68 -0.48 1.63 -0.09 0.21 0.00 0.00 175.17 177.12 2dky h ARG 63 N 0.67 -0.00 -0.44 8.23 2.43 -1.94 0.26 114.38 123.57 2dky h ARG 63 Ca -0.48 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 58.72 2dky h ARG 63 Cb 1.24 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.76 2dky h ARG 63 CO 0.58 -0.00 0.25 -0.44 -1.51 0.00 0.00 179.97 178.85 2dky h ASP 64 N -0.00 0.40 -0.59 -3.80 3.32 -1.99 0.56 116.42 114.32 2dky h ASP 64 Ca 0.30 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 2dky h ASP 64 Cb 0.45 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 2dky h ASP 64 CO -0.64 0.28 0.33 0.00 -1.72 0.00 0.00 179.24 177.50 2dky h ALA 65 N 1.21 0.75 0.69 3.45 0.00 -1.40 -1.41 119.26 122.55 2dky h ALA 65 Ca 0.18 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2dky h ALA 65 Cb 0.04 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.60 2dky h ALA 65 CO -0.10 0.26 -0.33 0.82 0.00 0.00 0.00 179.25 179.90 2dky h ILE 66 N 0.79 0.14 -0.48 0.00 1.08 -0.17 0.31 117.51 119.18 2dky h ILE 66 Ca 0.21 -0.27 0.10 0.00 -0.39 0.00 0.00 64.86 64.50 2dky h ILE 66 Cb 0.03 0.18 -0.10 0.00 -3.07 0.00 0.00 36.82 33.86 2dky h ILE 66 CO -0.04 0.02 -0.23 -0.33 -0.69 0.00 0.00 178.15 176.88 2dky h GLU 67 N -1.16 -0.12 0.32 2.37 4.39 -0.89 -0.18 114.58 119.32 2dky h GLU 67 Ca -0.09 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 2dky h GLU 67 Cb 0.74 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 2dky h GLU 67 CO 0.16 -0.08 -0.16 0.00 -1.16 0.00 0.00 179.01 177.77 2dky h ALA 68 N 1.17 -0.44 -0.80 3.43 0.00 -1.28 -2.83 119.26 118.51 2dky h ALA 68 Ca 0.22 -0.15 0.18 0.00 0.00 0.00 0.00 54.91 55.16 2dky h ALA 68 Cb 0.48 0.17 -0.15 0.00 0.00 0.00 0.00 17.79 18.29 2dky h ALA 68 CO -0.56 -0.65 -0.09 1.25 0.00 0.00 0.00 179.25 179.20 2dky h LEU 69 N -0.63 -0.56 -0.31 0.00 5.85 0.18 0.14 115.31 119.98 2dky h LEU 69 Ca -0.04 0.23 0.04 0.00 0.84 0.00 0.00 57.88 58.94 2dky h LEU 69 Cb 0.45 0.43 -0.04 0.00 0.37 0.00 0.00 40.66 41.88 2dky h LEU 69 CO 0.07 -0.24 0.07 0.00 -0.34 0.00 0.00 178.44 178.00 2dky n ARG 71 N -5.08 -0.06 0.05 0.00 5.12 0.48 0.13 116.66 117.31 2dky n ARG 71 Ca 0.00 1.20 -0.20 0.00 -1.93 0.00 0.00 57.85 56.92 2dky n ARG 71 Cb 0.13 -2.04 -0.13 0.00 -1.16 0.00 0.00 32.46 29.26 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 0.44 0.60 5.56 -0.00 -1.39 -3.08 114.38 116.53 2dky h ARG 72 Ca 0.63 -0.60 -0.02 0.00 -0.50 0.00 0.00 59.98 59.49 2dky h ARG 72 Cb 1.55 0.20 -0.00 0.00 0.00 0.00 0.00 29.97 31.71 2dky h ARG 72 CO -0.70 1.25 -0.36 -0.07 0.00 0.00 0.00 179.97 180.08 2dky h LEU 73 N -0.07 -0.91 -0.61 3.04 3.38 0.15 -2.74 115.31 117.54 2dky h LEU 73 Ca -0.14 0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.00 2dky h LEU 73 Cb 1.63 0.27 -0.09 0.00 0.09 0.00 0.00 40.66 42.56 2dky h LEU 73 CO 0.17 -0.57 0.10 -0.55 0.09 0.00 0.00 178.44 177.68 2dky h ASN 74 N -0.91 -0.07 -0.84 -0.43 7.08 -0.50 0.18 115.58 120.09 2dky h ASN 74 Ca -0.07 0.12 0.19 0.00 -3.08 0.00 0.00 56.30 53.46 2dky h ASN 74 Cb 0.74 0.19 -0.12 0.00 -2.08 0.00 0.00 38.32 37.05 2dky h ASN 74 CO 0.08 -0.03 0.33 0.74 -2.08 0.00 0.00 177.43 176.47 2dky h THR 75 N 0.22 0.52 -0.02 6.14 2.02 -1.41 0.95 112.91 121.33 2dky h THR 75 Ca 0.32 -0.13 -0.21 0.00 0.77 0.00 0.00 66.41 67.16 2dky h THR 75 Cb 0.50 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.00 2dky h THR 75 CO -0.44 0.07 -0.87 -0.07 0.37 0.00 0.00 175.52 174.59 2dky h LEU 76 N 0.39 0.42 -1.61 2.58 3.38 -0.81 -0.61 115.31 119.05 2dky h LEU 76 Ca 0.50 -0.32 0.16 0.00 0.09 0.00 0.00 57.88 58.31 2dky h LEU 76 Cb 0.90 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.47 2dky h LEU 76 CO -0.50 1.11 0.52 0.78 0.09 0.00 0.00 178.44 180.43 2dky h ASN 77 N 0.20 0.35 0.09 -0.43 -0.26 0.10 0.51 115.58 116.14 2dky h ASN 77 Ca -0.06 0.02 -0.36 0.00 -0.56 0.00 0.00 56.30 55.35 2dky h ASN 77 Cb 1.48 -0.05 -0.07 0.00 -1.06 0.00 0.00 38.32 38.63 2dky h ASN 77 CO 0.14 0.17 -2.28 2.29 -1.06 0.00 0.00 177.43 176.70 2dky n LYS 78 N -4.47 0.68 0.07 0.81 2.85 -0.90 -3.67 118.16 113.52 2dky n LYS 78 Ca 0.15 0.06 0.12 0.00 -1.05 0.00 0.00 58.31 57.59 2dky n LYS 78 Cb 0.59 -1.57 0.46 0.00 -0.65 0.00 0.00 35.03 33.85 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 -1.65 1.11 0.19 0.00 0.00 0.17 -4.35 120.51 115.98 2dky n ALA 80 Ca 0.04 -0.83 0.12 0.00 0.00 0.00 0.00 53.44 52.77 2dky n ALA 80 Cb 0.30 -0.36 0.11 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.21 0.00 -0.61 0.00 3.04 -1.63 -3.32 116.25 113.53 2dky h VAL 81 Ca -0.51 -0.98 0.18 0.00 -1.01 0.00 0.00 66.70 64.38 2dky h VAL 81 Cb 1.85 1.77 -0.02 0.00 -2.01 0.00 0.00 31.29 32.87 2dky h VAL 81 CO -0.07 0.00 0.95 0.00 -1.01 0.00 0.00 177.57 177.44 2dky h MET 82 N 0.00 0.00 -1.00 4.17 -0.00 -1.03 0.24 114.93 117.31 2dky h MET 82 Ca 0.00 0.00 0.22 0.00 -0.00 0.00 0.00 59.70 59.92 2dky h MET 82 Cb 0.99 0.00 -0.11 0.00 -0.00 0.00 0.00 31.60 32.48 2dky h MET 82 CO 0.00 0.00 0.61 -0.22 -0.00 0.00 0.00 176.91 177.30 2dky h LYS 83 N 0.00 0.62 0.02 -0.10 3.11 -1.84 -2.19 116.57 116.19 2dky h LYS 83 Ca 0.29 -0.04 -0.00 0.00 -2.81 0.00 0.00 60.65 58.09 2dky h LYS 83 Cb 2.19 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 33.28 2dky h LYS 83 CO -0.00 0.41 -0.01 -0.07 -2.81 0.00 0.00 179.45 176.97 2dky h LEU 84 N 0.64 -0.03 -7.35 5.20 4.07 -0.83 -3.45 115.31 113.56 2dky h LEU 84 Ca 0.60 -0.71 -0.42 0.00 0.08 0.00 0.00 57.88 57.42 2dky h LEU 84 Cb 1.10 0.01 -0.39 0.00 1.08 0.00 0.00 40.66 42.46 2dky h LEU 84 CO -0.39 0.78 -0.76 -1.83 -1.08 0.00 0.00 178.44 175.17 2dky s GLU 85 N -2.50 0.31 0.49 1.13 -1.05 -0.83 -5.15 118.70 111.10 2dky s GLU 85 Ca -0.15 0.13 -0.00 0.00 -0.15 0.00 0.00 54.97 54.80 2dky s GLU 85 Cb -0.02 -1.02 0.01 0.00 -0.44 0.00 0.00 34.13 32.66 2dky s GLU 85 CO 0.56 -0.39 0.72 0.45 0.95 0.00 0.00 175.26 177.55 2dky s SER 86 N 2.05 5.66 -0.44 0.83 0.15 -1.14 -4.34 113.70 116.46 2dky s SER 86 Ca 0.04 0.25 0.06 0.00 0.70 0.00 0.00 55.95 57.00 2dky s SER 86 Cb -0.13 -1.38 0.18 0.00 -1.71 0.00 0.00 66.02 62.97 2dky s SER 86 CO -0.05 -0.85 0.55 -0.83 1.20 0.00 0.00 173.24 173.25 2dky s GLY 87 N -4.28 -0.44 -0.89 9.45 0.00 -1.26 -5.09 107.32 104.81 2dky s GLY 87 Ca 0.51 -0.89 -0.25 0.00 0.00 0.00 0.00 44.72 44.10 2dky s GLY 87 CO 0.39 3.12 1.94 2.56 0.00 0.00 0.00 173.10 181.11 2dky s PRO 88 N 0.98 2.56 -1.08 2.90 0.04 -1.26 -4.90 135.00 134.24 2dky s PRO 88 Ca 0.25 -0.24 -0.23 0.00 0.04 0.00 0.00 61.00 60.83 2dky s PRO 88 Cb -0.03 -5.03 -0.02 0.00 0.04 0.00 0.00 34.50 29.46 2dky s PRO 88 CO -0.08 -3.35 1.81 0.45 0.04 0.00 0.00 177.00 175.87 2dky s SER 89 N 8.04 5.69 -1.17 6.66 0.15 -1.26 -3.92 113.70 127.89 2dky s SER 89 Ca 0.70 -1.44 -0.04 0.00 0.70 0.00 0.00 55.95 55.87 2dky s SER 89 Cb -0.07 -2.57 -0.02 0.00 -1.71 0.00 0.00 66.02 61.64 2dky s SER 89 CO 0.00 -2.31 0.89 -1.20 1.20 0.00 0.00 173.24 171.82 2dky n SER 90 N 12.08 -3.67 0.00 5.45 7.64 -1.26 -5.32 113.62 128.54 2dky n SER 90 Ca 0.42 -0.73 0.00 0.00 1.01 0.00 0.00 58.87 59.57 2dky n SER 90 Cb 0.47 -4.77 0.00 0.00 -1.01 0.00 0.00 64.21 58.90 2dky n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64