#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 4.15 -0.07 1.61 0.01 -1.26 -5.14 113.70 113.00 2dky s SER 2 Ca 0.00 -0.81 0.02 0.00 1.31 0.00 0.00 55.95 56.47 2dky s SER 2 Cb 0.00 -0.62 0.01 0.00 0.21 0.00 0.00 66.02 65.63 2dky s SER 2 CO 0.00 0.01 -0.12 -0.94 0.41 0.00 0.00 173.24 172.61 2dky s SER 3 N -3.61 1.78 -0.34 2.44 1.04 -1.26 -5.04 113.70 108.71 2dky s SER 3 Ca 0.31 -0.29 0.16 0.00 0.48 0.00 0.00 55.95 56.60 2dky s SER 3 Cb -0.06 -0.81 0.42 0.00 0.10 0.00 0.00 66.02 65.67 2dky s SER 3 CO 0.18 0.02 0.88 0.61 0.98 0.00 0.00 173.24 175.91 2dky n GLY 4 N 3.91 2.26 3.15 7.32 0.00 -1.26 -5.03 105.19 115.54 2dky n GLY 4 Ca -0.22 -1.45 0.05 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.91 -0.96 -0.04 1.61 0.15 -1.26 -5.15 113.70 105.14 2dky s SER 5 Ca 0.31 0.45 -0.01 0.00 0.70 0.00 0.00 55.95 57.40 2dky s SER 5 Cb 0.42 1.75 0.03 0.00 -1.71 0.00 0.00 66.02 66.51 2dky s SER 5 CO -0.00 -0.18 0.06 -0.44 1.20 0.00 0.00 173.24 173.88 2dky s SER 6 N 2.90 0.80 0.00 5.45 0.01 -1.26 -4.96 113.70 116.63 2dky s SER 6 Ca 0.12 0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.46 2dky s SER 6 Cb -0.11 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.02 2dky s SER 6 CO -0.18 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 173.86 2dky n GLY 7 N 4.96 0.72 3.68 3.44 0.00 -1.26 -5.14 105.19 111.59 2dky n GLY 7 Ca -0.11 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 44.85 2dky n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2dky s MET 8 N -1.16 2.63 0.77 1.61 0.23 -1.26 -5.10 119.30 117.03 2dky s MET 8 Ca 0.00 -0.75 -0.15 0.00 -1.03 0.00 0.00 55.69 53.76 2dky s MET 8 Cb 0.00 -2.58 0.03 0.00 -1.53 0.00 0.00 34.83 30.74 2dky s MET 8 CO 0.00 0.57 0.92 0.00 -2.03 0.00 0.00 175.02 174.48 2dky n ARG 10 N -2.12 1.92 -4.90 0.00 -4.01 -1.26 -5.03 116.66 101.25 2dky n ARG 10 Ca 0.12 -3.37 -0.33 0.00 -1.04 0.00 0.00 57.85 53.23 2dky n ARG 10 Cb 0.50 -1.58 -0.14 0.00 -3.04 0.00 0.00 32.46 28.20 2dky n ARG 10 CO 0.00 0.00 0.00 -1.59 -3.04 0.00 0.00 177.63 173.00 2dky s LYS 11 N -2.95 3.01 -0.81 2.89 -2.85 -1.26 -5.08 119.74 112.70 2dky s LYS 11 Ca 0.40 -0.73 -0.07 0.00 -1.00 0.00 0.00 55.97 54.57 2dky s LYS 11 Cb 0.38 -2.48 0.21 0.00 -2.06 0.00 0.00 37.83 33.88 2dky s LYS 11 CO -0.05 0.35 0.70 0.15 0.10 0.00 0.00 175.35 176.60 2dky s LYS 12 N -0.02 3.26 0.65 1.78 3.01 -1.26 -5.07 119.74 122.09 2dky s LYS 12 Ca -0.04 -2.76 -0.15 0.00 -1.01 0.00 0.00 55.97 52.01 2dky s LYS 12 Cb -0.14 -4.11 -0.00 0.00 -1.01 0.00 0.00 37.83 32.56 2dky s LYS 12 CO 0.04 -1.24 1.11 -1.25 0.51 0.00 0.00 175.35 174.52 2dky s PRO 13 N -0.41 2.83 -0.05 -1.68 0.04 -1.26 -5.01 135.00 129.46 2dky s PRO 13 Ca 0.21 1.40 -0.10 0.00 0.04 0.00 0.00 61.00 62.56 2dky s PRO 13 Cb -0.13 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 2dky s PRO 13 CO -0.08 -1.23 0.43 0.38 0.04 0.00 0.00 177.00 176.54 2dky h ASP 14 N 0.10 -0.30 -2.80 6.66 3.04 -1.97 -3.41 116.42 117.73 2dky h ASP 14 Ca -0.47 0.01 -0.59 0.00 -3.24 0.00 0.00 57.03 52.74 2dky h ASP 14 Cb 1.25 0.08 -0.11 0.00 -1.04 0.00 0.00 39.33 39.50 2dky h ASP 14 CO 0.54 0.12 0.75 0.42 -2.04 0.00 0.00 179.24 179.03 2dky s THR 15 N -2.69 4.14 0.00 1.15 -4.23 -1.26 -4.75 115.64 108.00 2dky s THR 15 Ca -0.05 0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.65 2dky s THR 15 Cb 0.01 -4.71 0.00 0.00 1.34 0.00 0.00 72.50 69.13 2dky s THR 15 CO 0.15 -1.45 0.00 0.80 -0.54 0.00 0.00 174.62 173.58 2dky n MET 16 N 8.19 0.00 0.03 3.99 1.56 -1.26 -4.72 117.12 124.91 2dky n MET 16 Ca 0.01 0.00 -0.06 0.00 -0.27 0.00 0.00 57.70 57.38 2dky n MET 16 Cb 0.47 -0.68 -0.11 0.00 2.15 0.00 0.00 33.22 35.05 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 0.00 1.16 -0.06 1.12 5.03 -1.97 -3.32 117.51 119.47 2dky h ILE 17 Ca 0.00 -2.87 0.03 0.00 -0.12 0.00 0.00 64.86 61.90 2dky h ILE 17 Cb 0.98 2.55 -0.04 0.00 -3.03 0.00 0.00 36.82 37.28 2dky h ILE 17 CO 0.00 0.66 -0.16 0.25 -0.68 0.00 0.00 178.15 178.22 2dky h LEU 18 N 0.00 -0.48 -1.97 1.44 6.46 -1.92 0.12 115.31 118.96 2dky h LEU 18 Ca -0.13 0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.69 2dky h LEU 18 Cb 1.80 0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 41.94 2dky h LEU 18 CO 0.09 -0.21 -0.09 0.71 -0.62 0.00 0.00 178.44 178.32 2dky h THR 19 N -0.23 0.84 -0.04 1.05 1.35 -1.85 -2.35 112.91 111.68 2dky h THR 19 Ca 0.07 -0.33 -0.07 0.00 -0.55 0.00 0.00 66.41 65.54 2dky h THR 19 Cb 0.33 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 2dky h THR 19 CO -0.20 0.09 -0.24 1.56 -0.25 0.00 0.00 175.52 176.48 2dky h GLN 20 N 0.00 0.23 0.72 4.72 4.20 -1.30 -2.91 115.11 120.77 2dky h GLN 20 Ca -0.00 -0.20 -0.03 0.00 0.06 0.00 0.00 58.65 58.48 2dky h GLN 20 Cb 0.18 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.01 2dky h GLN 20 CO 0.01 0.86 -0.41 0.82 -0.67 0.00 0.00 178.83 179.44 2dky h ILE 21 N -0.35 0.00 -0.97 2.54 2.04 -0.49 -1.91 117.51 118.38 2dky h ILE 21 Ca -0.02 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.10 2dky h ILE 21 Cb 0.92 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.87 2dky h ILE 21 CO 0.05 0.00 0.53 -0.33 0.00 0.00 0.00 178.15 178.40 2dky h GLU 22 N -1.05 0.45 0.45 2.37 3.07 -1.58 -0.79 114.58 117.50 2dky h GLU 22 Ca -0.10 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.72 2dky h GLU 22 Cb 0.83 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.64 2dky h GLU 22 CO 0.12 0.30 -0.28 0.00 -1.40 0.00 0.00 179.01 177.75 2dky h ALA 23 N 1.75 -0.69 -0.70 3.43 0.00 -1.28 -2.49 119.26 119.28 2dky h ALA 23 Ca 0.64 -0.14 0.15 0.00 0.00 0.00 0.00 54.91 55.57 2dky h ALA 23 Cb 1.28 0.34 -0.12 0.00 0.00 0.00 0.00 17.79 19.28 2dky h ALA 23 CO -0.52 -0.90 -0.04 -0.22 0.00 0.00 0.00 179.25 177.57 2dky h LYS 24 N -0.69 0.08 -0.27 0.00 3.11 -0.35 0.56 116.57 119.01 2dky h LYS 24 Ca -0.05 -0.00 0.05 0.00 -2.81 0.00 0.00 60.65 57.84 2dky h LYS 24 Cb 0.57 -0.02 -0.05 0.00 -1.00 0.00 0.00 32.23 31.73 2dky h LYS 24 CO 0.05 0.05 -0.08 0.93 -2.81 0.00 0.00 179.45 177.60 2dky h GLU 25 N 0.08 -0.02 0.00 1.90 4.39 -1.23 0.14 114.58 119.85 2dky h GLU 25 Ca 0.37 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 60.00 2dky h GLU 25 Cb 0.62 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 2dky h GLU 25 CO -0.64 -0.01 -0.34 0.00 -1.16 0.00 0.00 179.01 176.86 2dky h ALA 26 N 1.24 1.17 0.11 3.43 0.00 -0.59 -3.18 119.26 121.43 2dky h ALA 26 Ca 0.13 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2dky h ALA 26 Cb 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2dky h ALA 26 CO -0.29 0.42 -0.05 0.00 0.00 0.00 0.00 179.25 179.34 2dky h ASP 28 N -0.65 0.22 0.12 0.00 1.82 -0.77 -0.89 116.42 116.27 2dky h ASP 28 Ca -0.01 0.04 -0.01 0.00 -0.39 0.00 0.00 57.03 56.66 2dky h ASP 28 Cb 0.51 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.53 2dky h ASP 28 CO 0.02 0.04 -0.06 -0.25 -1.61 0.00 0.00 179.24 177.39 2dky h TRP 29 N 0.19 -0.15 -1.13 0.28 7.01 -1.55 0.18 115.95 120.79 2dky h TRP 29 Ca 0.56 -0.00 0.42 0.00 2.11 0.00 0.00 58.89 61.98 2dky h TRP 29 Cb 1.83 0.05 -0.16 0.00 -2.10 0.00 0.00 29.16 28.78 2dky h TRP 29 CO -0.00 0.35 0.66 -0.07 -2.79 0.00 0.00 178.44 176.59 2dky h LEU 30 N -0.82 0.31 0.07 0.65 3.38 -0.77 1.95 115.31 120.08 2dky h LEU 30 Ca -0.02 0.21 -0.34 0.00 0.09 0.00 0.00 57.88 57.82 2dky h LEU 30 Cb 0.56 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 2dky h LEU 30 CO 0.03 -0.32 -1.96 -1.14 0.09 0.00 0.00 178.44 175.13 2dky n ARG 31 N -5.04 0.71 0.00 1.13 0.63 -1.07 -0.37 116.66 112.64 2dky n ARG 31 Ca 0.38 0.25 0.14 0.00 -0.92 0.00 0.00 57.85 57.70 2dky n ARG 31 Cb 1.33 -1.71 0.78 0.00 0.45 0.00 0.00 32.46 33.30 2dky n ARG 31 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2dky n ALA 32 N -2.86 2.47 -0.11 5.13 0.00 0.13 -3.24 120.51 122.03 2dky n ALA 32 Ca -0.28 -0.16 -0.14 0.00 0.00 0.00 0.00 53.44 52.86 2dky n ALA 32 Cb 1.05 -1.45 -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 -1.12 1.41 0.00 0.00 5.66 0.62 -4.97 114.28 115.88 2dky n THR 33 Ca 0.18 -0.69 0.00 0.00 -3.05 0.00 0.00 64.05 60.49 2dky n THR 33 Cb 0.15 -0.96 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 2.05 0.33 3.15 1.09 0.00 -1.20 -5.08 105.19 105.54 2dky n GLY 34 Ca -0.39 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.25 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 3.91 -1.55 1.61 0.08 0.50 -4.87 117.98 117.66 2dky s PHE 35 Ca 0.00 -2.91 0.15 0.00 0.12 0.00 0.00 56.93 54.29 2dky s PHE 35 Cb 0.00 -3.36 0.78 0.00 -0.57 0.00 0.00 43.02 39.87 2dky s PHE 35 CO 0.00 -0.79 1.39 -0.35 -0.10 0.00 0.00 175.22 175.37 2dky n PRO 36 N 2.55 0.27 -0.02 0.24 -0.04 -1.24 -2.54 135.00 134.22 2dky n PRO 36 Ca 0.20 0.12 -0.16 0.00 -0.04 0.00 0.00 63.50 63.62 2dky n PRO 36 Cb 0.38 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.20 2dky n PRO 36 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dky n GLN 37 N -1.23 0.70 0.23 0.54 10.64 -1.26 -3.58 117.38 123.42 2dky n GLN 37 Ca 0.08 0.26 0.10 0.00 -1.83 0.00 0.00 57.00 55.61 2dky n GLN 37 Cb 0.10 -1.72 0.49 0.00 -0.86 0.00 0.00 30.24 28.25 2dky n GLN 37 CO 0.00 0.00 0.00 1.88 -1.83 0.00 0.00 177.06 177.11 2dky h TYR 38 N 0.04 0.00 0.00 2.61 0.05 -1.79 -1.99 116.97 115.89 2dky h TYR 38 Ca -0.39 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.39 2dky h TYR 38 Cb 2.03 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.77 2dky h TYR 38 CO 0.04 0.22 -0.52 0.00 -1.05 0.00 0.00 178.16 176.85 2dky n ALA 39 N -2.24 2.86 -0.02 3.88 0.00 -1.22 -3.94 120.51 119.83 2dky n ALA 39 Ca -0.00 -0.22 -0.16 0.00 0.00 0.00 0.00 53.44 53.06 2dky n ALA 39 Cb 0.41 -1.22 -0.14 0.00 0.00 0.00 0.00 19.45 18.50 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 -2.08 0.70 -0.19 0.00 7.27 -0.96 -3.76 117.38 118.36 2dky n GLN 40 Ca 0.04 0.25 -0.01 0.00 0.07 0.00 0.00 57.00 57.34 2dky n GLN 40 Cb 0.43 -1.71 0.09 0.00 2.41 0.00 0.00 30.24 31.47 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 0.26 -1.07 1.69 3.38 -1.50 -0.72 115.31 117.39 2dky h LEU 41 Ca -0.40 0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.54 2dky h LEU 41 Cb 2.03 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.80 2dky h LEU 41 CO 0.06 0.17 -0.40 0.22 0.09 0.00 0.00 178.44 178.58 2dky h TYR 42 N 0.43 0.14 0.00 1.13 5.03 -1.74 -2.00 116.97 119.96 2dky h TYR 42 Ca 0.29 -0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.54 2dky h TYR 42 Cb 0.31 -0.03 -0.00 0.00 1.55 0.00 0.00 36.73 38.56 2dky h TYR 42 CO -0.15 0.51 -0.08 0.93 -1.32 0.00 0.00 178.16 178.04 2dky h GLU 43 N 0.10 0.00 -0.42 1.82 5.08 -1.24 -1.58 114.58 118.34 2dky h GLU 43 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2dky h GLU 43 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2dky h GLU 43 CO 0.06 0.08 0.00 -3.47 -1.00 0.00 0.00 179.01 174.68 2dky n ASP 44 N -3.36 3.54 -3.14 1.42 -0.08 -0.85 -4.96 116.55 109.11 2dky n ASP 44 Ca -0.01 -2.00 -0.15 0.00 -1.51 0.00 0.00 54.79 51.12 2dky n ASP 44 Cb 0.26 -0.27 0.08 0.00 2.34 0.00 0.00 41.12 43.53 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 -1.95 -0.08 -0.67 3.72 -0.59 -4.94 117.46 114.47 2dky n PHE 45 Ca 0.20 0.83 -0.09 0.00 -0.05 0.00 0.00 57.45 58.34 2dky n PHE 45 Cb 0.62 -4.69 -0.16 0.00 -0.94 0.00 0.00 39.48 34.31 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 -3.73 0.12 -4.60 4.37 4.77 -0.80 -4.98 117.00 112.16 2dky n LEU 46 Ca -0.25 0.06 -0.32 0.00 -0.03 0.00 0.00 56.01 55.48 2dky n LEU 46 Cb 0.65 0.43 0.16 0.00 -2.33 0.00 0.00 43.42 42.32 2dky n LEU 46 CO 0.54 0.46 0.46 0.49 -1.33 0.00 0.00 177.39 178.01 2dky n PHE 47 N -2.77 0.19 -1.57 -1.77 3.01 -1.26 -4.60 117.46 108.69 2dky n PHE 47 Ca -0.29 0.35 -0.32 0.00 1.01 0.00 0.00 57.45 58.19 2dky n PHE 47 Cb 1.11 -1.94 0.06 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 -4.35 2.59 0.44 -1.08 0.04 -1.26 -4.76 135.00 126.62 2dky s PRO 48 Ca 0.64 1.31 0.07 0.00 0.04 0.00 0.00 61.00 63.06 2dky s PRO 48 Cb -0.22 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 2dky s PRO 48 CO 0.61 -1.40 0.35 0.96 0.04 0.00 0.00 177.00 177.55 2dky s ILE 49 N -2.55 2.41 -0.84 0.56 -4.36 -1.26 -5.05 121.20 110.10 2dky s ILE 49 Ca 0.65 -1.44 -0.25 0.00 -0.26 0.00 0.00 60.65 59.35 2dky s ILE 49 Cb -0.19 -2.84 0.04 0.00 1.25 0.00 0.00 42.46 40.71 2dky s ILE 49 CO 0.47 0.00 1.33 -1.81 0.24 0.00 0.00 174.94 175.17 2dky s ASP 50 N -4.12 6.29 0.18 4.36 1.01 -1.26 -4.86 116.67 118.27 2dky s ASP 50 Ca 0.45 -0.84 -0.13 0.00 0.71 0.00 0.00 52.55 52.73 2dky s ASP 50 Cb -0.01 -2.56 0.10 0.00 1.01 0.00 0.00 42.92 41.46 2dky s ASP 50 CO 0.26 -1.70 1.83 0.40 0.21 0.00 0.00 175.17 176.16 2dky h ILE 51 N 6.31 1.09 -0.27 0.77 1.08 -1.98 -1.53 117.51 122.98 2dky h ILE 51 Ca -0.10 -0.24 0.02 0.00 -0.39 0.00 0.00 64.86 64.15 2dky h ILE 51 Cb 1.04 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 35.11 2dky h ILE 51 CO 1.33 0.13 0.18 0.77 -0.69 0.00 0.00 178.15 179.87 2dky h SER 52 N 0.69 0.25 -0.02 1.72 4.64 -2.01 -1.86 113.55 116.96 2dky h SER 52 Ca 0.21 -0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.31 2dky h SER 52 Cb -0.02 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 62.02 2dky h SER 52 CO -0.08 0.17 -0.82 -0.07 -0.87 0.00 0.00 176.83 175.17 2dky h LEU 53 N 0.29 0.83 -1.43 5.97 -0.00 -1.73 -2.08 115.31 117.16 2dky h LEU 53 Ca 0.11 -0.57 0.05 0.00 -0.00 0.00 0.00 57.88 57.47 2dky h LEU 53 Cb 0.07 -0.25 -0.04 0.00 -0.00 0.00 0.00 40.66 40.45 2dky h LEU 53 CO -0.02 1.36 0.43 0.58 -0.00 0.00 0.00 178.44 180.79 2dky h VAL 54 N 0.45 1.05 0.02 1.22 2.07 -0.47 0.35 116.25 120.94 2dky h VAL 54 Ca -0.06 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 2dky h VAL 54 Cb 1.44 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 2dky h VAL 54 CO 0.16 0.13 -0.15 0.11 0.02 0.00 0.00 177.57 177.85 2dky h LYS 55 N 0.71 0.06 -0.60 1.57 1.57 -1.47 -1.94 116.57 116.47 2dky h LYS 55 Ca 0.27 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2dky h LYS 55 Cb 0.18 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 2dky h LYS 55 CO -0.08 1.02 0.37 0.07 -0.57 0.00 0.00 179.45 180.26 2dky h ARG 56 N -0.85 0.80 0.04 3.15 0.11 -1.13 0.66 114.38 117.15 2dky h ARG 56 Ca -0.02 -0.06 -0.26 0.00 0.10 0.00 0.00 59.98 59.74 2dky h ARG 56 Cb 1.09 -0.17 0.01 0.00 1.11 0.00 0.00 29.97 32.01 2dky h ARG 56 CO 0.03 0.55 -1.06 0.93 0.10 0.00 0.00 179.97 180.52 2dky h GLU 57 N 0.82 0.54 -0.77 0.08 4.39 -0.40 -3.27 114.58 115.98 2dky h GLU 57 Ca 0.22 -0.63 -0.46 0.00 0.34 0.00 0.00 59.36 58.83 2dky h GLU 57 Cb -0.05 0.19 -0.26 0.00 -0.10 0.00 0.00 28.75 28.54 2dky h GLU 57 CO -0.04 1.25 0.31 0.72 -1.16 0.00 0.00 179.01 180.08 2dky n HIS 58 N -3.78 2.45 -0.10 4.33 8.25 -0.73 -4.67 115.22 120.98 2dky n HIS 58 Ca -0.10 -2.11 0.17 0.00 -0.26 0.00 0.00 57.72 55.43 2dky n HIS 58 Cb 0.90 -0.86 0.58 0.00 1.12 0.00 0.00 29.99 31.73 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 1.38 0.23 -0.92 0.41 1.82 0.26 -0.36 116.42 119.24 2dky h ASP 59 Ca 0.47 0.01 0.17 0.00 -0.39 0.00 0.00 57.03 57.29 2dky h ASP 59 Cb 1.84 -0.03 -0.08 0.00 0.68 0.00 0.00 39.33 41.74 2dky h ASP 59 CO 0.96 0.12 0.59 2.19 -1.61 0.00 0.00 179.24 181.49 2dky h PHE 60 N 0.24 0.80 -2.47 0.28 -0.00 -1.84 -3.43 116.94 110.53 2dky h PHE 60 Ca 0.32 0.02 -0.49 0.00 -0.00 0.00 0.00 57.97 57.82 2dky h PHE 60 Cb 0.91 -0.25 0.23 0.00 -0.00 0.00 0.00 35.95 36.85 2dky h PHE 60 CO -0.00 0.25 -1.21 1.28 -0.00 0.00 0.00 178.31 178.63 2dky n LEU 61 N -4.58 -2.12 -4.91 2.10 4.77 -0.15 -4.97 117.00 107.14 2dky n LEU 61 Ca 0.19 0.07 -0.27 0.00 -0.03 0.00 0.00 56.01 55.96 2dky n LEU 61 Cb 0.54 -0.96 0.03 0.00 -2.33 0.00 0.00 43.42 40.70 2dky n LEU 61 CO 0.28 -3.50 0.56 -1.81 -1.33 0.00 0.00 177.39 171.59 2dky s ASP 62 N -1.70 5.69 0.15 -1.43 1.01 -1.26 -4.85 116.67 114.28 2dky s ASP 62 Ca 0.52 0.84 -0.17 0.00 0.71 0.00 0.00 52.55 54.44 2dky s ASP 62 Cb -0.13 -1.85 0.05 0.00 1.01 0.00 0.00 42.92 42.01 2dky s ASP 62 CO 0.68 -1.03 1.72 -0.09 0.21 0.00 0.00 175.17 176.66 2dky h ARG 63 N -0.20 0.13 -0.59 8.23 2.43 -1.94 0.11 114.38 122.56 2dky h ARG 63 Ca -0.45 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.69 2dky h ARG 63 Cb 1.25 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.74 2dky h ARG 63 CO 0.61 0.09 0.32 0.38 -1.51 0.00 0.00 179.97 179.86 2dky h ASP 64 N 0.13 0.74 0.36 -3.80 3.04 -1.98 0.63 116.42 115.55 2dky h ASP 64 Ca 0.15 -0.10 -0.02 0.00 -3.24 0.00 0.00 57.03 53.82 2dky h ASP 64 Cb 0.19 -0.19 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2dky h ASP 64 CO -0.23 0.63 -0.17 0.00 -2.04 0.00 0.00 179.24 177.43 2dky h ALA 65 N 1.14 -0.48 0.55 4.15 0.00 -1.79 -1.41 119.26 121.42 2dky h ALA 65 Ca 0.21 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2dky h ALA 65 Cb 0.06 0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.04 2dky h ALA 65 CO -0.03 -0.74 -0.26 0.82 0.00 0.00 0.00 179.25 179.04 2dky h ILE 66 N -0.55 0.46 -0.36 0.00 1.08 -0.71 0.29 117.51 117.71 2dky h ILE 66 Ca -0.05 -0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.48 2dky h ILE 66 Cb 0.41 0.46 -0.09 0.00 -3.07 0.00 0.00 36.82 34.54 2dky h ILE 66 CO 0.08 0.00 -0.43 -0.33 -0.69 0.00 0.00 178.15 176.78 2dky h GLU 67 N -0.74 -0.34 -0.05 2.37 4.39 -0.89 -0.56 114.58 118.76 2dky h GLU 67 Ca -0.08 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 2dky h GLU 67 Cb 0.57 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2dky h GLU 67 CO 0.12 -0.23 0.03 0.00 -1.16 0.00 0.00 179.01 177.78 2dky h ALA 68 N 0.36 0.07 -0.86 3.43 0.00 -1.20 -2.67 119.26 118.39 2dky h ALA 68 Ca 0.12 -0.03 0.22 0.00 0.00 0.00 0.00 54.91 55.23 2dky h ALA 68 Cb 0.59 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.22 2dky h ALA 68 CO -0.54 -0.41 0.23 1.25 0.00 0.00 0.00 179.25 179.77 2dky h LEU 69 N 0.02 0.00 -0.30 0.00 5.85 0.34 0.13 115.31 121.35 2dky h LEU 69 Ca 0.02 0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 2dky h LEU 69 Cb 0.05 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2dky h LEU 69 CO -0.00 -0.14 0.12 0.00 -0.34 0.00 0.00 178.44 178.08 2dky h ARG 71 N 0.34 0.00 0.07 0.00 2.47 -0.41 0.61 114.38 117.47 2dky h ARG 71 Ca 0.10 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.46 2dky h ARG 71 Cb 0.19 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.47 2dky h ARG 71 CO -0.01 0.00 -2.08 0.54 0.56 0.00 0.00 179.97 178.98 2dky n ARG 72 N -3.19 0.70 0.28 0.04 5.12 -0.90 -3.97 116.66 114.74 2dky n ARG 72 Ca 0.14 0.27 -0.16 0.00 -1.93 0.00 0.00 57.85 56.16 2dky n ARG 72 Cb 1.15 -1.65 -0.08 0.00 -1.16 0.00 0.00 32.46 30.71 2dky n ARG 72 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2dky h LEU 73 N -0.12 -0.55 -0.94 0.55 3.38 0.47 -2.69 115.31 115.40 2dky h LEU 73 Ca -0.47 0.02 0.19 0.00 0.09 0.00 0.00 57.88 57.71 2dky h LEU 73 Cb 1.90 0.14 -0.11 0.00 0.09 0.00 0.00 40.66 42.68 2dky h LEU 73 CO -0.02 -0.39 0.52 -0.55 0.09 0.00 0.00 178.44 178.09 2dky h ASN 74 N -0.65 0.62 -0.78 -0.43 7.08 -1.26 0.28 115.58 120.44 2dky h ASN 74 Ca -0.07 0.11 0.09 0.00 -3.08 0.00 0.00 56.30 53.36 2dky h ASN 74 Cb 0.50 0.01 -0.05 0.00 -2.08 0.00 0.00 38.32 36.70 2dky h ASN 74 CO 0.11 0.19 0.51 0.74 -2.08 0.00 0.00 177.43 176.89 2dky h THR 75 N 0.63 0.95 0.00 6.14 2.02 -1.61 -1.56 112.91 119.49 2dky h THR 75 Ca 0.56 -0.25 -0.23 0.00 0.77 0.00 0.00 66.41 67.26 2dky h THR 75 Cb 0.91 0.17 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 2dky h THR 75 CO -0.42 0.13 -1.33 -0.07 0.37 0.00 0.00 175.52 174.20 2dky h LEU 76 N 0.72 0.00 -1.57 2.58 3.38 -0.44 -2.63 115.31 117.35 2dky h LEU 76 Ca 0.36 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.50 2dky h LEU 76 Cb 0.43 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 2dky h LEU 76 CO -0.13 0.90 0.55 0.78 0.09 0.00 0.00 178.44 180.63 2dky h ASN 77 N 0.00 0.38 0.01 -0.43 -0.26 0.39 0.11 115.58 115.79 2dky h ASN 77 Ca -0.15 0.03 -0.40 0.00 -0.56 0.00 0.00 56.30 55.21 2dky h ASN 77 Cb 1.82 -0.04 -0.06 0.00 -1.06 0.00 0.00 38.32 38.98 2dky h ASN 77 CO 0.09 0.17 -2.37 2.29 -1.06 0.00 0.00 177.43 176.55 2dky n LYS 78 N -4.48 0.64 0.00 0.81 2.85 -1.13 -4.00 118.16 112.85 2dky n LYS 78 Ca 0.17 0.22 0.02 0.00 -1.05 0.00 0.00 58.31 57.67 2dky n LYS 78 Cb 0.62 -1.55 0.07 0.00 -0.65 0.00 0.00 35.03 33.53 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 -1.41 1.89 0.01 0.00 0.00 0.38 -4.41 120.51 116.98 2dky n ALA 80 Ca 0.01 -0.97 -0.21 0.00 0.00 0.00 0.00 53.44 52.27 2dky n ALA 80 Cb 0.03 -0.49 -0.14 0.00 0.00 0.00 0.00 19.45 18.86 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 1.22 -0.94 0.00 2.07 -1.21 -3.35 116.25 114.04 2dky h VAL 81 Ca -0.34 -2.43 0.29 0.00 0.82 0.00 0.00 66.70 65.04 2dky h VAL 81 Cb 1.82 2.88 -0.16 0.00 -1.52 0.00 0.00 31.29 34.31 2dky h VAL 81 CO 0.03 0.68 0.30 0.24 0.02 0.00 0.00 177.57 178.84 2dky h MET 82 N -0.41 0.15 -0.79 1.57 2.86 -1.53 0.13 114.93 116.90 2dky h MET 82 Ca -0.24 -0.01 0.31 0.00 -2.06 0.00 0.00 59.70 57.71 2dky h MET 82 Cb 1.65 -0.03 -0.12 0.00 0.06 0.00 0.00 31.60 33.16 2dky h MET 82 CO 0.07 0.10 0.46 1.17 1.06 0.00 0.00 176.91 179.76 2dky n LYS 83 N -5.25 -0.04 0.03 1.72 0.00 -1.26 -0.69 118.16 112.67 2dky n LYS 83 Ca 0.26 0.97 -0.02 0.00 0.00 0.00 0.00 58.31 59.53 2dky n LYS 83 Cb 0.85 -1.79 -0.01 0.00 0.00 0.00 0.00 35.03 34.09 2dky n LYS 83 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 2dky h LEU 84 N 0.00 -0.09 -7.07 3.14 4.07 -1.00 -3.48 115.31 110.88 2dky h LEU 84 Ca 0.62 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.56 2dky h LEU 84 Cb 1.74 0.02 -0.24 0.00 1.08 0.00 0.00 40.66 43.26 2dky h LEU 84 CO -0.50 0.08 -0.25 -0.70 -1.08 0.00 0.00 178.44 175.99 2dky s GLU 85 N -1.82 0.45 0.12 1.13 2.12 0.14 -4.84 118.70 116.00 2dky s GLU 85 Ca -0.02 1.21 -0.35 0.00 0.36 0.00 0.00 54.97 56.18 2dky s GLU 85 Cb 0.00 0.55 -0.15 0.00 0.26 0.00 0.00 34.13 34.79 2dky s GLU 85 CO 0.05 -0.22 1.48 0.45 -0.54 0.00 0.00 175.26 176.47 2dky n SER 86 N 5.34 2.45 0.00 -1.70 2.88 -1.24 -4.62 113.62 116.74 2dky n SER 86 Ca -0.11 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.53 2dky n SER 86 Cb 0.50 -1.32 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 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 3.03 0.75 3.57 0.46 0.00 -1.26 -5.07 105.19 106.66 2dky n GLY 87 Ca 0.18 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 0.26 -1.59 -0.13 1.61 0.04 -1.26 -5.10 135.00 128.82 2dky s PRO 88 Ca 0.00 -0.19 -0.30 0.00 0.04 0.00 0.00 61.00 60.54 2dky s PRO 88 Cb 0.00 -1.56 0.12 0.00 0.04 0.00 0.00 34.50 33.09 2dky s PRO 88 CO 0.00 -3.93 0.94 -1.54 0.04 0.00 0.00 177.00 172.51 2dky s SER 89 N -3.99 -0.42 0.32 6.66 1.04 -1.26 -5.15 113.70 110.90 2dky s SER 89 Ca 0.72 0.44 -0.29 0.00 0.48 0.00 0.00 55.95 57.30 2dky s SER 89 Cb -0.08 0.35 -0.11 0.00 0.10 0.00 0.00 66.02 66.28 2dky s SER 89 CO 0.56 -0.40 1.50 -0.55 0.98 0.00 0.00 173.24 175.33 2dky s SER 90 N -1.19 6.45 0.00 7.02 0.15 -1.26 -5.34 113.70 119.53 2dky s SER 90 Ca -0.03 2.91 0.00 0.00 0.70 0.00 0.00 55.95 59.53 2dky s SER 90 Cb -0.00 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 2dky s SER 90 CO 0.03 -0.82 0.00 0.61 1.20 0.00 0.00 173.24 174.25