#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 0.10 0.07 1.61 1.04 -1.26 -5.18 113.70 110.08 2dky s SER 2 Ca 0.00 -1.20 0.02 0.00 0.48 0.00 0.00 55.95 55.24 2dky s SER 2 Cb 0.00 0.48 -0.03 0.00 0.10 0.00 0.00 66.02 66.57 2dky s SER 2 CO 0.00 -0.99 -0.07 -0.94 0.98 0.00 0.00 173.24 172.22 2dky s SER 3 N -3.11 0.93 0.00 7.02 1.04 -1.26 -5.17 113.70 113.16 2dky s SER 3 Ca 0.32 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.97 2dky s SER 3 Cb 0.03 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.23 2dky s SER 3 CO 0.11 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.59 2dky n GLY 4 N 0.71 5.96 3.18 7.32 0.00 -1.26 -5.17 105.19 115.92 2dky n GLY 4 Ca -0.18 -1.80 -0.13 0.00 0.00 0.00 0.00 46.02 43.92 2dky n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dky s SER 5 N 1.00 -0.23 -0.90 1.61 0.01 -1.26 -5.10 113.70 108.83 2dky s SER 5 Ca 0.00 0.35 -0.22 0.00 1.31 0.00 0.00 55.95 57.39 2dky s SER 5 Cb 0.00 0.46 0.08 0.00 0.21 0.00 0.00 66.02 66.78 2dky s SER 5 CO 0.00 -0.22 1.23 -0.44 0.41 0.00 0.00 173.24 174.22 2dky s SER 6 N -0.43 6.47 0.00 2.44 0.01 -1.26 -4.23 113.70 116.70 2dky s SER 6 Ca -0.05 -1.52 0.00 0.00 1.31 0.00 0.00 55.95 55.69 2dky s SER 6 Cb -0.04 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.71 2dky s SER 6 CO 0.02 -1.36 0.00 0.61 0.41 0.00 0.00 173.24 172.92 2dky n GLY 7 N 5.97 -0.02 3.33 3.44 0.00 -1.26 -5.14 105.19 111.51 2dky n GLY 7 Ca 0.21 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 2.99 0.63 1.61 1.75 -1.26 -5.08 119.30 119.94 2dky s MET 8 Ca 0.00 -0.93 -0.18 0.00 -1.25 0.00 0.00 55.69 53.34 2dky s MET 8 Cb 0.00 -3.41 -0.04 0.00 2.84 0.00 0.00 34.83 34.22 2dky s MET 8 CO 0.00 -0.50 0.93 0.00 -0.65 0.00 0.00 175.02 174.81 2dky s ARG 10 N -2.85 0.75 0.01 0.00 1.04 -1.26 -5.18 118.95 111.46 2dky s ARG 10 Ca 0.76 -0.34 -0.06 0.00 -1.04 0.00 0.00 55.73 55.05 2dky s ARG 10 Cb -0.40 0.33 -0.00 0.00 -2.04 0.00 0.00 34.95 32.84 2dky s ARG 10 CO 0.47 -0.23 0.11 -1.59 -0.04 0.00 0.00 175.30 174.03 2dky s LYS 11 N -1.95 0.46 -0.77 3.89 0.00 -1.26 -5.11 119.74 115.00 2dky s LYS 11 Ca -0.09 -0.44 -0.08 0.00 0.00 0.00 0.00 55.97 55.36 2dky s LYS 11 Cb -0.03 0.19 0.20 0.00 0.00 0.00 0.00 37.83 38.19 2dky s LYS 11 CO 0.01 -0.10 0.66 0.15 0.00 0.00 0.00 175.35 176.06 2dky s LYS 12 N -1.40 3.20 1.20 1.78 3.01 -1.26 -5.07 119.74 121.20 2dky s LYS 12 Ca -0.15 -2.61 -0.19 0.00 -1.01 0.00 0.00 55.97 52.01 2dky s LYS 12 Cb -0.08 -4.12 0.29 0.00 -1.01 0.00 0.00 37.83 32.91 2dky s LYS 12 CO 0.01 -1.24 1.11 -1.25 0.51 0.00 0.00 175.35 174.49 2dky s PRO 13 N -0.15 -1.21 -0.19 -1.68 0.04 -1.26 -5.02 135.00 125.52 2dky s PRO 13 Ca 0.19 -0.06 -0.20 0.00 0.04 0.00 0.00 61.00 60.97 2dky s PRO 13 Cb -0.14 -1.60 -0.20 0.00 0.04 0.00 0.00 34.50 32.60 2dky s PRO 13 CO -0.07 -3.71 0.26 0.22 0.04 0.00 0.00 177.00 173.75 2dky h ASP 14 N -2.58 0.06 -3.37 6.66 3.58 -1.97 -3.44 116.42 115.36 2dky h ASP 14 Ca -0.45 -0.58 -0.75 0.00 0.42 0.00 0.00 57.03 55.67 2dky h ASP 14 Cb 1.29 -0.02 -0.27 0.00 1.72 0.00 0.00 39.33 42.05 2dky h ASP 14 CO 0.34 1.52 -0.25 0.42 -2.88 0.00 0.00 179.24 178.40 2dky s THR 15 N -2.38 4.76 0.04 2.25 -4.23 -1.26 -4.85 115.64 109.97 2dky s THR 15 Ca -0.27 -1.89 -0.03 0.00 -1.18 0.00 0.00 61.69 58.31 2dky s THR 15 Cb 0.06 -4.06 -0.01 0.00 1.34 0.00 0.00 72.50 69.82 2dky s THR 15 CO 0.62 -0.86 -0.07 0.80 -0.54 0.00 0.00 174.62 174.58 2dky n MET 16 N 4.77 0.10 -0.34 3.99 0.00 -1.26 -4.27 117.12 120.10 2dky n MET 16 Ca -0.05 0.04 0.22 0.00 0.00 0.00 0.00 57.70 57.90 2dky n MET 16 Cb 0.41 -0.63 0.47 0.00 0.00 0.00 0.00 33.22 33.47 2dky n MET 16 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 2dky h ILE 17 N -0.19 0.49 0.25 1.12 1.08 -1.98 0.23 117.51 118.51 2dky h ILE 17 Ca 0.00 -0.15 -0.01 0.00 -0.39 0.00 0.00 64.86 64.31 2dky h ILE 17 Cb 0.19 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.94 2dky h ILE 17 CO 0.00 0.08 -0.12 0.25 -0.69 0.00 0.00 178.15 177.67 2dky h LEU 18 N 0.44 -0.28 -1.29 1.44 6.46 -1.95 -2.69 115.31 117.44 2dky h LEU 18 Ca 0.64 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.41 2dky h LEU 18 Cb 1.48 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.48 2dky h LEU 18 CO -0.40 0.06 0.29 0.71 -0.62 0.00 0.00 178.44 178.48 2dky h THR 19 N -0.85 0.00 0.16 1.05 1.35 -1.62 0.12 112.91 113.11 2dky h THR 19 Ca -0.03 0.00 -0.28 0.00 -0.55 0.00 0.00 66.41 65.55 2dky h THR 19 Cb 0.26 0.43 0.01 0.00 -1.73 0.00 0.00 68.15 67.12 2dky h THR 19 CO 0.06 0.00 -1.34 1.56 -0.25 0.00 0.00 175.52 175.55 2dky h GLN 20 N 0.00 0.33 0.48 4.72 4.20 -0.55 -3.19 115.11 121.10 2dky h GLN 20 Ca 0.00 -0.56 -0.02 0.00 0.06 0.00 0.00 58.65 58.13 2dky h GLN 20 Cb 0.58 0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.57 2dky h GLN 20 CO 0.00 1.27 -0.23 0.82 -0.67 0.00 0.00 178.83 180.02 2dky h ILE 21 N -0.18 0.00 -0.77 2.54 2.04 -0.45 0.14 117.51 120.83 2dky h ILE 21 Ca -0.27 -0.41 0.18 0.00 1.00 0.00 0.00 64.86 65.36 2dky h ILE 21 Cb 1.85 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.80 2dky h ILE 21 CO 0.13 0.00 0.03 -0.33 0.00 0.00 0.00 178.15 177.99 2dky h GLU 22 N -1.06 0.11 -0.32 2.37 5.08 -1.57 0.75 114.58 119.94 2dky h GLU 22 Ca -0.07 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.16 2dky h GLU 22 Cb 0.50 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2dky h GLU 22 CO 0.11 0.07 -0.30 0.00 -1.00 0.00 0.00 179.01 177.89 2dky h ALA 23 N 1.72 0.47 -0.62 3.43 0.00 -1.61 -3.16 119.26 119.48 2dky h ALA 23 Ca 0.43 -0.41 0.13 0.00 0.00 0.00 0.00 54.91 55.06 2dky h ALA 23 Cb 0.77 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.36 2dky h ALA 23 CO -0.67 0.50 0.06 -0.22 0.00 0.00 0.00 179.25 178.92 2dky h LYS 24 N 0.54 0.17 -0.51 0.00 1.63 0.16 0.13 116.57 118.70 2dky h LYS 24 Ca 0.05 -0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.88 2dky h LYS 24 Cb 0.88 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.43 2dky h LYS 24 CO 0.08 0.11 0.28 0.93 -3.45 0.00 0.00 179.45 177.39 2dky h GLU 25 N 0.17 0.53 0.67 1.90 4.39 -1.26 0.49 114.58 121.48 2dky h GLU 25 Ca 0.33 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.96 2dky h GLU 25 Cb 0.53 -0.12 0.01 0.00 -0.10 0.00 0.00 28.75 29.06 2dky h GLU 25 CO -0.49 0.35 -0.32 0.00 -1.16 0.00 0.00 179.01 177.39 2dky h ALA 26 N 1.25 -0.91 -0.35 3.43 0.00 -1.10 -1.43 119.26 120.15 2dky h ALA 26 Ca 0.22 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.99 2dky h ALA 26 Cb 0.09 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 18.15 2dky h ALA 26 CO -0.13 -0.93 -0.15 0.00 0.00 0.00 0.00 179.25 178.04 2dky h ASP 28 N -0.09 0.87 -0.38 0.00 1.82 -0.90 -1.70 116.42 116.04 2dky h ASP 28 Ca 0.18 0.03 -0.16 0.00 -0.39 0.00 0.00 57.03 56.69 2dky h ASP 28 Cb 0.36 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.22 2dky h ASP 28 CO -0.41 0.51 -0.39 -0.25 -1.61 0.00 0.00 179.24 177.09 2dky h TRP 29 N 0.98 1.13 -1.00 0.28 7.01 -0.02 -0.01 115.95 124.32 2dky h TRP 29 Ca 0.43 -0.34 0.12 0.00 2.11 0.00 0.00 58.89 61.21 2dky h TRP 29 Cb 0.32 -0.24 -0.08 0.00 -2.10 0.00 0.00 29.16 27.06 2dky h TRP 29 CO -0.02 1.18 0.63 -0.07 -2.79 0.00 0.00 178.44 177.36 2dky h LEU 30 N 0.76 0.92 0.00 0.65 3.38 0.49 1.91 115.31 123.42 2dky h LEU 30 Ca 0.06 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2dky h LEU 30 Cb 0.99 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2dky h LEU 30 CO 0.10 0.49 -0.77 -0.09 0.09 0.00 0.00 178.44 178.25 2dky h ARG 31 N 0.99 0.00 0.00 1.13 1.12 -1.36 0.66 114.38 116.92 2dky h ARG 31 Ca 0.49 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.36 2dky h ARG 31 Cb 0.48 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.44 2dky h ARG 31 CO -0.27 0.00 -0.94 0.00 -3.11 0.00 0.00 179.97 175.65 2dky n ALA 32 N -1.92 4.29 -0.03 2.80 0.00 -0.03 -4.24 120.51 121.39 2dky n ALA 32 Ca 0.02 -0.53 -0.13 0.00 0.00 0.00 0.00 53.44 52.81 2dky n ALA 32 Cb 0.47 -0.86 -0.14 0.00 0.00 0.00 0.00 19.45 18.91 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 -1.58 1.62 0.00 0.00 5.66 0.63 -4.97 114.28 115.65 2dky n THR 33 Ca 0.04 -0.75 0.00 0.00 -3.05 0.00 0.00 64.05 60.28 2dky n THR 33 Cb 0.35 -1.17 0.00 0.00 -1.55 0.00 0.00 70.33 67.96 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 1.73 -0.13 3.06 1.09 0.00 -1.23 -5.08 105.19 104.63 2dky n GLY 34 Ca -0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 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 3.67 -0.94 1.61 0.08 0.22 -4.89 117.98 117.73 2dky s PHE 35 Ca 0.00 -3.00 0.15 0.00 0.12 0.00 0.00 56.93 54.20 2dky s PHE 35 Cb 0.00 -3.12 0.65 0.00 -0.57 0.00 0.00 43.02 39.98 2dky s PHE 35 CO 0.00 -0.73 1.48 -0.35 -0.10 0.00 0.00 175.22 175.52 2dky n PRO 36 N 2.62 0.02 0.06 0.24 -0.04 -1.23 -2.56 135.00 134.10 2dky n PRO 36 Ca 0.17 0.27 -0.14 0.00 -0.04 0.00 0.00 63.50 63.76 2dky n PRO 36 Cb 0.37 -1.54 -0.14 0.00 -0.04 0.00 0.00 33.50 32.15 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 0.19 0.00 0.54 3.07 -1.90 -3.21 115.11 113.80 2dky h GLN 37 Ca 0.00 -0.32 -0.05 0.00 0.09 0.00 0.00 58.65 58.37 2dky h GLN 37 Cb 0.26 0.12 -0.01 0.00 0.08 0.00 0.00 27.48 27.93 2dky h GLN 37 CO 0.00 1.04 -0.23 1.88 0.09 0.00 0.00 178.83 181.61 2dky h TYR 38 N 0.05 0.00 0.00 0.06 0.05 -1.80 -2.09 116.97 113.25 2dky h TYR 38 Ca -0.20 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.58 2dky h TYR 38 Cb 1.97 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.71 2dky h TYR 38 CO 0.05 0.23 -0.37 0.00 -1.05 0.00 0.00 178.16 177.02 2dky n ALA 39 N -2.20 2.71 -0.06 3.88 0.00 -1.21 -3.96 120.51 119.67 2dky n ALA 39 Ca 0.01 -0.17 -0.20 0.00 0.00 0.00 0.00 53.44 53.08 2dky n ALA 39 Cb 0.48 -1.29 -0.13 0.00 0.00 0.00 0.00 19.45 18.51 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 -2.09 0.70 -0.24 0.00 7.27 -1.06 -3.86 117.38 118.10 2dky n GLN 40 Ca 0.04 0.23 0.02 0.00 0.07 0.00 0.00 57.00 57.36 2dky n GLN 40 Cb 0.42 -1.62 0.11 0.00 2.41 0.00 0.00 30.24 31.56 2dky n GLN 40 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 2dky h LEU 41 N -0.04 -0.51 -0.68 1.69 3.38 -1.51 0.19 115.31 117.84 2dky h LEU 41 Ca -0.50 0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.56 2dky h LEU 41 Cb 1.94 0.39 -0.02 0.00 0.09 0.00 0.00 40.66 43.06 2dky h LEU 41 CO -0.01 -0.20 -0.15 0.22 0.09 0.00 0.00 178.44 178.38 2dky h TYR 42 N 0.04 0.98 -0.56 1.13 5.03 -1.77 -1.83 116.97 119.99 2dky h TYR 42 Ca 0.36 -0.20 0.06 0.00 2.58 0.00 0.00 58.73 61.53 2dky h TYR 42 Cb 0.59 -0.24 -0.03 0.00 1.55 0.00 0.00 36.73 38.60 2dky h TYR 42 CO -0.49 0.96 0.38 0.93 -1.32 0.00 0.00 178.16 178.61 2dky h GLU 43 N 0.77 0.53 0.00 1.82 5.08 -0.81 0.10 114.58 122.08 2dky h GLU 43 Ca 0.12 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2dky h GLU 43 Cb 0.67 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2dky h GLU 43 CO 0.05 0.35 -0.27 -3.47 -1.00 0.00 0.00 179.01 174.67 2dky n ASP 44 N -4.47 0.28 -1.68 1.42 -0.08 -0.35 -4.95 116.55 106.72 2dky n ASP 44 Ca 0.08 0.11 -0.06 0.00 -1.51 0.00 0.00 54.79 53.41 2dky n ASP 44 Cb 0.23 -0.11 0.03 0.00 2.34 0.00 0.00 41.12 43.61 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 -1.53 -0.72 0.26 -0.67 3.72 0.36 -4.97 117.46 113.92 2dky n PHE 45 Ca 0.06 0.29 0.11 0.00 -0.05 0.00 0.00 57.45 57.86 2dky n PHE 45 Cb 0.34 -2.79 -0.14 0.00 -0.94 0.00 0.00 39.48 35.95 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 -1.94 0.30 -4.68 4.37 4.77 -0.72 -4.98 117.00 114.11 2dky n LEU 46 Ca -0.07 -0.10 -0.31 0.00 -0.03 0.00 0.00 56.01 55.50 2dky n LEU 46 Cb 0.54 -0.01 0.16 0.00 -2.33 0.00 0.00 43.42 41.79 2dky n LEU 46 CO 0.19 0.05 0.68 -0.36 -1.33 0.00 0.00 177.39 176.62 2dky s PHE 47 N -3.38 1.75 0.74 -1.77 0.40 -1.26 -4.58 117.98 109.88 2dky s PHE 47 Ca -0.03 1.74 -0.12 0.00 -0.60 0.00 0.00 56.93 57.92 2dky s PHE 47 Cb 0.14 -3.29 0.04 0.00 0.51 0.00 0.00 43.02 40.42 2dky s PHE 47 CO 0.89 -2.70 1.10 -1.25 0.70 0.00 0.00 175.22 173.96 2dky s PRO 48 N -4.68 2.39 0.50 0.24 0.04 -1.26 -4.68 135.00 127.55 2dky s PRO 48 Ca 0.66 1.23 0.07 0.00 0.04 0.00 0.00 61.00 63.00 2dky s PRO 48 Cb -0.22 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.43 2dky s PRO 48 CO 0.58 -1.54 0.46 0.96 0.04 0.00 0.00 177.00 177.49 2dky s ILE 49 N -2.76 2.11 -0.85 0.56 -4.36 -1.26 -5.05 121.20 109.59 2dky s ILE 49 Ca 0.63 -1.35 -0.23 0.00 -0.26 0.00 0.00 60.65 59.43 2dky s ILE 49 Cb -0.18 -2.46 0.07 0.00 1.25 0.00 0.00 42.46 41.13 2dky s ILE 49 CO 0.52 0.00 1.23 -1.81 0.24 0.00 0.00 174.94 175.13 2dky s ASP 50 N -4.29 6.37 0.28 4.36 1.11 -1.26 -4.86 116.67 118.39 2dky s ASP 50 Ca 0.44 -1.24 -0.03 0.00 0.18 0.00 0.00 52.55 51.91 2dky s ASP 50 Cb -0.03 -2.50 0.40 0.00 1.07 0.00 0.00 42.92 41.86 2dky s ASP 50 CO 0.27 -1.48 1.94 0.40 1.18 0.00 0.00 175.17 177.48 2dky h ILE 51 N 6.23 1.19 -0.96 0.77 1.08 -2.00 -2.03 117.51 121.79 2dky h ILE 51 Ca -0.03 -0.41 0.02 0.00 -0.39 0.00 0.00 64.86 64.05 2dky h ILE 51 Cb 1.04 -0.10 -0.05 0.00 -3.07 0.00 0.00 36.82 34.64 2dky h ILE 51 CO 1.27 0.22 0.64 0.77 -0.69 0.00 0.00 178.15 180.35 2dky h SER 52 N 1.19 1.09 0.37 1.72 4.64 -2.00 -1.55 113.55 119.00 2dky h SER 52 Ca 0.35 -0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.56 2dky h SER 52 Cb -0.06 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.75 2dky h SER 52 CO -0.09 0.78 -0.40 -0.07 -0.87 0.00 0.00 176.83 176.18 2dky h LEU 53 N 1.28 0.05 -0.83 5.97 -0.00 -1.79 0.21 115.31 120.20 2dky h LEU 53 Ca 0.36 -0.02 -0.11 0.00 -0.00 0.00 0.00 57.88 58.12 2dky h LEU 53 Cb -0.10 -0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 40.53 2dky h LEU 53 CO -0.09 0.45 -0.27 0.58 -0.00 0.00 0.00 178.44 179.10 2dky h VAL 54 N 0.04 1.27 0.11 1.22 2.07 -0.80 -0.52 116.25 119.65 2dky h VAL 54 Ca 0.00 -1.34 -0.31 0.00 0.82 0.00 0.00 66.70 65.87 2dky h VAL 54 Cb 0.73 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 2dky h VAL 54 CO 0.05 0.43 -1.55 0.11 0.02 0.00 0.00 177.57 176.64 2dky h LYS 55 N 0.49 0.24 0.00 1.57 1.57 -1.18 -2.88 116.57 116.38 2dky h LYS 55 Ca 0.07 -0.42 -0.02 0.00 -1.87 0.00 0.00 60.65 58.41 2dky h LYS 55 Cb 0.73 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.19 2dky h LYS 55 CO 0.06 1.10 -0.11 -0.09 -0.57 0.00 0.00 179.45 179.84 2dky h ARG 56 N 0.07 0.00 0.11 3.15 2.43 -0.91 -0.86 114.38 118.37 2dky h ARG 56 Ca -0.25 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.65 2dky h ARG 56 Cb 2.02 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.56 2dky h ARG 56 CO 0.16 0.11 -1.38 0.93 -1.51 0.00 0.00 179.97 178.27 2dky h GLU 57 N 0.00 0.23 -0.96 0.20 4.39 -1.17 -3.35 114.58 113.91 2dky h GLU 57 Ca -0.00 -0.39 -0.51 0.00 0.34 0.00 0.00 59.36 58.80 2dky h GLU 57 Cb 0.69 0.15 -0.30 0.00 -0.10 0.00 0.00 28.75 29.19 2dky h GLU 57 CO 0.01 1.19 0.62 0.72 -1.16 0.00 0.00 179.01 180.39 2dky n HIS 58 N -3.95 2.97 -0.34 4.33 8.25 -1.09 -4.66 115.22 120.73 2dky n HIS 58 Ca -0.25 -1.87 0.27 0.00 -0.26 0.00 0.00 57.72 55.61 2dky n HIS 58 Cb 0.89 -0.94 0.52 0.00 1.12 0.00 0.00 29.99 31.58 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 1.03 0.44 -0.95 0.41 3.04 -1.30 0.54 116.42 119.63 2dky h ASP 59 Ca 0.62 0.20 0.24 0.00 -3.24 0.00 0.00 57.03 54.85 2dky h ASP 59 Cb 2.76 0.17 -0.13 0.00 -1.04 0.00 0.00 39.33 41.09 2dky h ASP 59 CO 1.08 -0.21 0.50 2.19 -2.04 0.00 0.00 179.24 180.76 2dky h PHE 60 N 0.22 0.85 -2.67 4.15 -0.00 -1.86 -3.42 116.94 114.21 2dky h PHE 60 Ca 0.77 0.04 -0.54 0.00 -0.00 0.00 0.00 57.97 58.24 2dky h PHE 60 Cb 1.89 -0.22 0.23 0.00 -0.00 0.00 0.00 35.95 37.85 2dky h PHE 60 CO -0.01 0.00 -1.24 1.28 -0.00 0.00 0.00 178.31 178.35 2dky n LEU 61 N -4.96 -3.03 -4.90 2.10 4.77 0.19 -4.96 117.00 106.20 2dky n LEU 61 Ca 0.25 0.24 -0.29 0.00 -0.03 0.00 0.00 56.01 56.18 2dky n LEU 61 Cb 0.71 -0.98 -0.03 0.00 -2.33 0.00 0.00 43.42 40.80 2dky n LEU 61 CO 0.14 -4.71 0.27 -1.81 -1.33 0.00 0.00 177.39 169.96 2dky s ASP 62 N -1.52 6.45 0.24 -1.43 1.01 -1.26 -4.88 116.67 115.28 2dky s ASP 62 Ca 0.49 0.81 -0.11 0.00 0.71 0.00 0.00 52.55 54.45 2dky s ASP 62 Cb -0.19 -2.19 0.34 0.00 1.01 0.00 0.00 42.92 41.89 2dky s ASP 62 CO 0.75 -0.27 1.60 -0.09 0.21 0.00 0.00 175.17 177.36 2dky h ARG 63 N 1.47 -0.00 -0.14 8.23 2.43 -1.93 0.20 114.38 124.64 2dky h ARG 63 Ca -0.48 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 58.70 2dky h ARG 63 Cb 1.19 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 2dky h ARG 63 CO 0.65 -0.00 0.07 -0.44 -1.51 0.00 0.00 179.97 178.74 2dky h ASP 64 N -0.00 0.12 -0.73 -3.80 3.32 -1.99 0.09 116.42 113.42 2dky h ASP 64 Ca 0.38 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.50 2dky h ASP 64 Cb 0.58 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 40.05 2dky h ASP 64 CO -0.82 0.09 0.42 0.00 -1.72 0.00 0.00 179.24 177.21 2dky h ALA 65 N 1.06 0.99 0.68 3.45 0.00 -1.19 -2.32 119.26 121.94 2dky h ALA 65 Ca 0.05 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2dky h ALA 65 Cb 0.00 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.64 2dky h ALA 65 CO -0.03 0.11 -0.33 0.82 0.00 0.00 0.00 179.25 179.83 2dky h ILE 66 N 0.77 0.07 -0.97 0.00 1.08 -0.40 -0.85 117.51 117.21 2dky h ILE 66 Ca 0.33 -0.31 0.25 0.00 -0.39 0.00 0.00 64.86 64.74 2dky h ILE 66 Cb 0.20 0.10 -0.18 0.00 -3.07 0.00 0.00 36.82 33.87 2dky h ILE 66 CO -0.18 0.01 -0.01 -0.33 -0.69 0.00 0.00 178.15 176.95 2dky h GLU 67 N -1.21 0.02 -0.39 2.37 5.08 -0.87 0.77 114.58 120.34 2dky h GLU 67 Ca -0.09 -0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.11 2dky h GLU 67 Cb 0.72 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 2dky h GLU 67 CO 0.15 0.01 -0.37 0.00 -1.00 0.00 0.00 179.01 177.81 2dky h ALA 68 N 1.96 0.58 0.25 3.43 0.00 -1.40 -1.34 119.26 122.73 2dky h ALA 68 Ca 0.57 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2dky h ALA 68 Cb 1.13 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2dky h ALA 68 CO -0.91 0.67 -0.13 1.25 0.00 0.00 0.00 179.25 180.13 2dky h LEU 69 N 0.77 -0.31 -1.06 0.00 5.85 0.19 -2.74 115.31 118.00 2dky h LEU 69 Ca 0.07 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 2dky h LEU 69 Cb 0.96 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 2dky h LEU 69 CO 0.09 -0.21 -0.08 0.00 -0.34 0.00 0.00 178.44 177.90 2dky h ARG 71 N 0.54 0.00 0.05 0.00 2.47 -0.92 0.24 114.38 116.75 2dky h ARG 71 Ca 0.10 0.00 -0.37 0.00 -1.26 0.00 0.00 59.98 58.45 2dky h ARG 71 Cb 0.46 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.74 2dky h ARG 71 CO 0.02 0.00 -2.15 0.54 0.56 0.00 0.00 179.97 178.94 2dky n ARG 72 N -2.86 0.68 0.36 0.04 3.00 -0.94 -4.06 116.66 112.88 2dky n ARG 72 Ca 0.01 0.26 -0.16 0.00 -0.01 0.00 0.00 57.85 57.95 2dky n ARG 72 Cb 0.66 -1.62 -0.08 0.00 0.00 0.00 0.00 32.46 31.42 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 -0.22 -0.80 -0.93 0.55 -0.00 -0.63 -2.79 115.31 110.49 2dky h LEU 73 Ca -0.51 0.00 0.27 0.00 -0.00 0.00 0.00 57.88 57.65 2dky h LEU 73 Cb 1.85 0.21 -0.15 0.00 -0.00 0.00 0.00 40.66 42.57 2dky h LEU 73 CO -0.08 -0.45 0.37 -0.55 -0.00 0.00 0.00 178.44 177.73 2dky h ASN 74 N -1.16 0.20 -0.95 -0.43 7.08 -1.15 0.60 115.58 119.77 2dky h ASN 74 Ca -0.10 0.20 0.01 0.00 -3.08 0.00 0.00 56.30 53.34 2dky h ASN 74 Cb 0.75 0.22 -0.05 0.00 -2.08 0.00 0.00 38.32 37.16 2dky h ASN 74 CO 0.16 -0.15 0.63 0.74 -2.08 0.00 0.00 177.43 176.72 2dky h THR 75 N 0.25 1.23 -0.07 6.14 2.02 -1.68 -2.43 112.91 118.37 2dky h THR 75 Ca 0.63 -0.44 -0.21 0.00 0.77 0.00 0.00 66.41 67.16 2dky h THR 75 Cb 1.35 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 2dky h THR 75 CO -0.64 0.23 -0.82 -0.07 0.37 0.00 0.00 175.52 174.59 2dky h LEU 76 N 1.27 0.61 -0.21 2.58 3.38 0.33 -3.00 115.31 120.27 2dky h LEU 76 Ca 0.36 -0.43 0.06 0.00 0.09 0.00 0.00 57.88 57.96 2dky h LEU 76 Cb -0.12 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.39 2dky h LEU 76 CO -0.09 1.20 -0.21 0.78 0.09 0.00 0.00 178.44 180.21 2dky h ASN 77 N 0.32 -0.67 0.62 -0.43 2.35 -0.24 0.42 115.58 117.96 2dky h ASN 77 Ca -0.05 0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2dky h ASN 77 Cb 1.42 0.32 0.00 0.00 0.05 0.00 0.00 38.32 40.11 2dky h ASN 77 CO 0.15 -0.25 0.00 2.29 -1.65 0.00 0.00 177.43 177.96 2dky n LYS 78 N -5.35 0.03 0.01 0.81 2.85 -1.05 -1.69 118.16 113.77 2dky n LYS 78 Ca -0.01 0.17 0.00 0.00 -1.05 0.00 0.00 58.31 57.41 2dky n LYS 78 Cb 0.27 -1.50 -0.10 0.00 -0.65 0.00 0.00 35.03 33.05 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 -2.43 1.60 -0.00 0.00 0.00 0.12 -4.24 120.51 115.55 2dky n ALA 80 Ca -0.12 -0.83 -0.05 0.00 0.00 0.00 0.00 53.44 52.43 2dky n ALA 80 Cb 0.85 -0.74 -0.12 0.00 0.00 0.00 0.00 19.45 19.44 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 -2.94 1.45 -0.51 0.00 3.14 -0.68 -4.16 118.33 114.63 2dky n VAL 81 Ca -0.18 -0.76 0.39 0.00 -2.96 0.00 0.00 64.34 60.83 2dky n VAL 81 Cb 1.03 -0.92 0.61 0.00 -1.06 0.00 0.00 33.84 33.49 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 -2.98 -0.01 -0.13 1.45 0.00 -1.04 0.90 117.12 115.31 2dky n MET 82 Ca -0.14 0.87 -0.04 0.00 0.00 0.00 0.00 57.70 58.38 2dky n MET 82 Cb 0.97 -1.93 0.02 0.00 0.00 0.00 0.00 33.22 32.29 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 -0.05 0.29 3.17 3.11 -1.83 -2.79 116.57 118.47 2dky h LYS 83 Ca 0.72 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 58.55 2dky h LYS 83 Cb 2.75 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 33.97 2dky h LYS 83 CO -0.09 -0.03 -0.33 -0.07 -2.81 0.00 0.00 179.45 176.11 2dky h LEU 84 N -0.05 -0.92-10.26 5.20 3.38 0.21 -3.43 115.31 109.43 2dky h LEU 84 Ca 0.21 0.08 -0.52 0.00 0.09 0.00 0.00 57.88 57.74 2dky h LEU 84 Cb 0.37 0.31 0.15 0.00 0.09 0.00 0.00 40.66 41.58 2dky h LEU 84 CO -0.47 -0.43 0.30 -1.83 0.09 0.00 0.00 178.44 176.11 2dky s GLU 85 N -4.83 1.88 -0.01 1.13 -1.05 -1.05 -4.97 118.70 109.80 2dky s GLU 85 Ca -0.11 1.42 -0.25 0.00 -0.15 0.00 0.00 54.97 55.87 2dky s GLU 85 Cb 0.03 -1.84 -0.19 0.00 -0.44 0.00 0.00 34.13 31.70 2dky s GLU 85 CO 0.39 -1.97 1.29 1.03 0.95 0.00 0.00 175.26 176.95 2dky h SER 86 N -1.11 -0.07 -0.15 0.83 0.87 -1.83 -3.47 113.55 108.61 2dky h SER 86 Ca -0.44 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 59.75 2dky h SER 86 Cb 1.26 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 2dky h SER 86 CO 0.48 0.34 0.00 0.61 -0.53 0.00 0.00 176.83 177.73 2dky n GLY 87 N 0.01 3.79 3.64 5.77 0.00 -1.26 -5.02 105.19 112.12 2dky n GLY 87 Ca -0.08 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.79 3.97 0.21 1.61 0.04 -1.26 -4.91 135.00 132.87 2dky s PRO 88 Ca 0.00 1.81 -0.18 0.00 0.04 0.00 0.00 61.00 62.67 2dky s PRO 88 Cb 0.00 -3.98 0.20 0.00 0.04 0.00 0.00 34.50 30.76 2dky s PRO 88 CO 0.00 -1.08 1.47 0.45 0.04 0.00 0.00 177.00 177.87 2dky n SER 89 N 7.81 -0.65 -4.47 6.66 2.88 -1.26 -3.59 113.62 121.00 2dky n SER 89 Ca 0.18 1.66 -0.43 0.00 -1.33 0.00 0.00 58.87 58.94 2dky n SER 89 Cb 0.44 -0.37 -0.06 0.00 -0.75 0.00 0.00 64.21 63.48 2dky n SER 89 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dky s SER 90 N -5.35 6.26 0.00 -3.46 0.15 -1.26 -5.32 113.70 104.72 2dky s SER 90 Ca -0.13 -0.71 0.00 0.00 0.70 0.00 0.00 55.95 55.81 2dky s SER 90 Cb 0.19 -2.32 0.00 0.00 -1.71 0.00 0.00 66.02 62.18 2dky s SER 90 CO 0.67 -0.92 0.09 0.61 1.20 0.00 0.00 173.24 174.89