#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 1.40 -0.03 1.61 0.15 -1.26 -5.15 113.70 110.42 2dky s SER 2 Ca 0.00 -0.78 -0.00 0.00 0.70 0.00 0.00 55.95 55.86 2dky s SER 2 Cb 0.00 0.01 0.03 0.00 -1.71 0.00 0.00 66.02 64.35 2dky s SER 2 CO 0.00 -0.25 0.05 -0.55 1.20 0.00 0.00 173.24 173.69 2dky s SER 3 N -2.34 0.07 0.00 5.45 0.15 -1.26 -5.13 113.70 110.64 2dky s SER 3 Ca 0.04 0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.77 2dky s SER 3 Cb -0.04 -0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.24 2dky s SER 3 CO 0.00 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.91 2dky n GLY 4 N 4.23 5.07 3.20 9.45 0.00 -1.26 -5.19 105.19 120.69 2dky n GLY 4 Ca -0.27 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 44.89 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 0.17 0.42 1.61 0.01 -1.26 -5.18 113.70 110.47 2dky s SER 5 Ca 0.00 -1.36 0.07 0.00 1.31 0.00 0.00 55.95 55.97 2dky s SER 5 Cb 0.00 0.37 -0.04 0.00 0.21 0.00 0.00 66.02 66.57 2dky s SER 5 CO 0.00 -0.83 0.28 -0.44 0.41 0.00 0.00 173.24 172.66 2dky s SER 6 N -3.14 4.71 -0.41 2.44 0.01 -1.26 -5.09 113.70 110.97 2dky s SER 6 Ca 0.37 -0.93 0.06 0.00 1.31 0.00 0.00 55.95 56.75 2dky s SER 6 Cb 0.07 -0.49 0.32 0.00 0.21 0.00 0.00 66.02 66.12 2dky s SER 6 CO 0.11 -0.61 1.22 0.61 0.41 0.00 0.00 173.24 174.98 2dky n GLY 7 N -1.39 0.02 3.55 3.44 0.00 -1.26 -5.10 105.19 104.45 2dky n GLY 7 Ca 0.01 0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 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 0.18 2.66 -0.15 1.61 1.75 -1.26 -4.96 119.30 119.14 2dky s MET 8 Ca 0.20 0.60 -0.00 0.00 -1.25 0.00 0.00 55.69 55.24 2dky s MET 8 Cb 0.29 -4.38 -0.01 0.00 2.84 0.00 0.00 34.83 33.58 2dky s MET 8 CO -0.10 -2.69 -0.13 0.00 -0.65 0.00 0.00 175.02 171.45 2dky n ARG 10 N 3.92 2.30 -3.59 0.00 1.74 -1.26 -4.85 116.66 114.91 2dky n ARG 10 Ca -0.19 -2.30 -0.16 0.00 -0.77 0.00 0.00 57.85 54.44 2dky n ARG 10 Cb 0.52 -2.03 -0.07 0.00 -1.02 0.00 0.00 32.46 29.86 2dky n ARG 10 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 2dky s LYS 11 N -2.05 0.92 0.05 5.56 -2.85 -1.26 -5.18 119.74 114.93 2dky s LYS 11 Ca 0.52 0.67 -0.05 0.00 -1.00 0.00 0.00 55.97 56.12 2dky s LYS 11 Cb 0.36 0.44 -0.02 0.00 -2.06 0.00 0.00 37.83 36.56 2dky s LYS 11 CO -0.17 -0.19 0.07 0.15 0.10 0.00 0.00 175.35 175.31 2dky s LYS 12 N -0.29 0.62 0.80 1.78 1.02 -1.26 -5.16 119.74 117.25 2dky s LYS 12 Ca -0.05 -0.90 -0.11 0.00 0.02 0.00 0.00 55.97 54.94 2dky s LYS 12 Cb -0.03 0.24 0.07 0.00 -0.52 0.00 0.00 37.83 37.59 2dky s LYS 12 CO 0.05 -0.15 1.09 -1.25 -0.92 0.00 0.00 175.35 174.17 2dky s PRO 13 N -3.08 2.02 0.21 -1.68 0.04 -1.26 -4.97 135.00 126.28 2dky s PRO 13 Ca -0.01 1.09 0.07 0.00 0.04 0.00 0.00 61.00 62.19 2dky s PRO 13 Cb 0.02 -1.88 0.14 0.00 0.04 0.00 0.00 34.50 32.83 2dky s PRO 13 CO -0.07 -1.79 1.48 0.38 0.04 0.00 0.00 177.00 177.05 2dky h ASP 14 N -1.23 0.09 -2.49 6.66 2.03 -1.96 -3.42 116.42 116.09 2dky h ASP 14 Ca -0.45 -0.07 -0.33 0.00 -0.73 0.00 0.00 57.03 55.46 2dky h ASP 14 Cb 1.24 -0.03 -0.36 0.00 -0.83 0.00 0.00 39.33 39.36 2dky h ASP 14 CO 0.52 0.81 -0.63 0.42 -1.03 0.00 0.00 179.24 179.33 2dky s THR 15 N -3.35 -0.32 -0.11 1.15 -4.23 -1.26 -4.99 115.64 102.52 2dky s THR 15 Ca -0.02 -0.18 0.21 0.00 -1.18 0.00 0.00 61.69 60.53 2dky s THR 15 Cb 0.11 -0.72 -0.24 0.00 1.34 0.00 0.00 72.50 73.00 2dky s THR 15 CO 0.79 -0.25 0.57 1.15 -0.54 0.00 0.00 174.62 176.35 2dky n MET 16 N 5.32 0.65 0.07 3.99 0.00 -1.26 -4.00 117.12 121.89 2dky n MET 16 Ca -0.05 -0.06 -0.21 0.00 0.00 0.00 0.00 57.70 57.37 2dky n MET 16 Cb 0.49 -1.61 -0.15 0.00 0.00 0.00 0.00 33.22 31.95 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 0.00 1.00 0.74 3.17 5.03 -1.99 -3.27 117.51 122.18 2dky h ILE 17 Ca -0.10 -2.59 -0.04 0.00 -0.12 0.00 0.00 64.86 62.02 2dky h ILE 17 Cb 1.25 2.77 0.01 0.00 -3.03 0.00 0.00 36.82 37.81 2dky h ILE 17 CO 0.01 0.84 -0.35 0.25 -0.68 0.00 0.00 178.15 178.22 2dky h LEU 18 N 0.10 -0.84 -0.96 1.44 6.46 -1.98 -2.39 115.31 117.14 2dky h LEU 18 Ca -0.32 0.03 0.25 0.00 -0.12 0.00 0.00 57.88 57.73 2dky h LEU 18 Cb 2.08 0.22 -0.13 0.00 -0.73 0.00 0.00 40.66 42.10 2dky h LEU 18 CO 0.18 -0.57 0.49 0.71 -0.62 0.00 0.00 178.44 178.62 2dky h THR 19 N -1.04 0.44 -0.31 1.05 1.35 -1.76 0.11 112.91 112.76 2dky h THR 19 Ca -0.10 -0.15 0.03 0.00 -0.55 0.00 0.00 66.41 65.64 2dky h THR 19 Cb 0.76 -0.03 -0.03 0.00 -1.73 0.00 0.00 68.15 67.12 2dky h THR 19 CO 0.17 0.08 0.13 -0.61 -0.25 0.00 0.00 175.52 175.03 2dky h GLN 20 N 0.43 0.27 0.88 4.72 4.15 -1.58 -0.76 115.11 123.22 2dky h GLN 20 Ca 0.63 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.99 2dky h GLN 20 Cb 1.27 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.90 2dky h GLN 20 CO -0.54 0.18 -0.50 0.82 -1.93 0.00 0.00 178.83 176.86 2dky h ILE 21 N 0.27 0.00 -0.49 2.39 2.04 -0.27 0.22 117.51 121.67 2dky h ILE 21 Ca 0.13 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.09 2dky h ILE 21 Cb 0.08 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.06 2dky h ILE 21 CO -0.12 0.00 -0.19 -0.33 0.00 0.00 0.00 178.15 177.52 2dky h GLU 22 N -1.27 -0.07 0.75 2.37 5.08 -1.32 -0.63 114.58 119.49 2dky h GLU 22 Ca -0.12 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 2dky h GLU 22 Cb 1.00 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2dky h GLU 22 CO 0.15 -0.05 -0.39 0.00 -1.00 0.00 0.00 179.01 177.71 2dky h ALA 23 N 1.32 -1.06 -0.72 3.43 0.00 -1.03 -2.83 119.26 118.37 2dky h ALA 23 Ca 0.23 -0.22 0.13 0.00 0.00 0.00 0.00 54.91 55.05 2dky h ALA 23 Cb 0.44 0.45 -0.13 0.00 0.00 0.00 0.00 17.79 18.55 2dky h ALA 23 CO -0.55 -1.10 -0.31 -0.22 0.00 0.00 0.00 179.25 177.06 2dky h LYS 24 N -1.05 -0.09 -0.56 0.00 3.11 -0.06 0.79 116.57 118.70 2dky h LYS 24 Ca -0.10 0.01 0.11 0.00 -2.81 0.00 0.00 60.65 57.86 2dky h LYS 24 Cb 0.82 0.02 -0.11 0.00 -1.00 0.00 0.00 32.23 31.96 2dky h LYS 24 CO 0.14 -0.06 -0.23 0.93 -2.81 0.00 0.00 179.45 177.43 2dky h GLU 25 N -0.09 -0.09 -0.04 1.90 5.08 -1.02 0.13 114.58 120.45 2dky h GLU 25 Ca 0.29 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2dky h GLU 25 Cb 0.57 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 2dky h GLU 25 CO -0.77 -0.06 0.03 0.00 -1.00 0.00 0.00 179.01 177.21 2dky h ALA 26 N 1.30 0.05 0.13 3.43 0.00 -0.69 -2.78 119.26 120.70 2dky h ALA 26 Ca 0.26 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.18 2dky h ALA 26 Cb 0.49 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2dky h ALA 26 CO -0.62 -0.45 -0.37 0.00 0.00 0.00 0.00 179.25 177.81 2dky h ASP 28 N -0.61 0.02 0.10 0.00 1.82 -0.73 -1.70 116.42 115.32 2dky h ASP 28 Ca 0.03 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.66 2dky h ASP 28 Cb 0.63 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.64 2dky h ASP 28 CO -0.21 0.00 -0.05 -0.25 -1.61 0.00 0.00 179.24 177.12 2dky h TRP 29 N 0.02 -0.12 -1.18 0.28 7.01 -0.80 0.15 115.95 121.31 2dky h TRP 29 Ca 0.55 -0.00 0.43 0.00 2.11 0.00 0.00 58.89 61.98 2dky h TRP 29 Cb 2.19 0.04 -0.15 0.00 -2.10 0.00 0.00 29.16 29.14 2dky h TRP 29 CO -0.00 -0.07 0.72 -0.07 -2.79 0.00 0.00 178.44 176.22 2dky h LEU 30 N -1.03 0.30 0.09 0.65 3.38 -0.18 1.72 115.31 120.23 2dky h LEU 30 Ca -0.01 0.19 -0.32 0.00 0.09 0.00 0.00 57.88 57.83 2dky h LEU 30 Cb 0.10 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2dky h LEU 30 CO 0.02 -0.28 -1.70 -0.09 0.09 0.00 0.00 178.44 176.48 2dky h ARG 31 N 0.07 0.20 -0.56 1.13 9.65 -1.40 0.18 114.38 123.65 2dky h ARG 31 Ca 0.83 -0.34 0.00 0.00 -1.10 0.00 0.00 59.98 59.38 2dky h ARG 31 Cb 2.41 0.13 0.00 0.00 -1.39 0.00 0.00 29.97 31.11 2dky h ARG 31 CO -0.58 1.00 0.00 0.00 2.80 0.00 0.00 179.97 183.19 2dky n ALA 32 N -2.73 2.77 -0.02 2.80 0.00 0.24 -3.81 120.51 119.76 2dky n ALA 32 Ca -0.21 -0.75 -0.02 0.00 0.00 0.00 0.00 53.44 52.46 2dky n ALA 32 Cb 1.05 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.46 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 0.26 0.00 0.00 5.66 0.52 -4.92 114.28 116.23 2dky n THR 33 Ca 0.12 -0.15 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 2dky n THR 33 Cb 0.48 -0.84 0.00 0.00 -1.55 0.00 0.00 70.33 68.42 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 2.89 0.54 3.18 1.09 0.00 -1.22 -5.07 105.19 106.59 2dky n GLY 34 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 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 3.99 -1.61 1.61 0.08 0.62 -4.87 117.98 117.81 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 -3.42 0.81 0.00 -0.57 0.00 0.00 43.02 39.84 2dky s PHE 35 CO 0.00 -0.80 1.39 -0.35 -0.10 0.00 0.00 175.22 175.36 2dky n PRO 36 N 2.49 0.30 -0.03 0.24 -0.04 -1.22 -2.66 135.00 134.08 2dky n PRO 36 Ca 0.22 0.10 -0.19 0.00 -0.04 0.00 0.00 63.50 63.58 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 -1.20 0.73 0.26 0.54 10.64 -1.26 -3.75 117.38 123.34 2dky n GLN 37 Ca 0.08 0.24 0.11 0.00 -1.83 0.00 0.00 57.00 55.61 2dky n GLN 37 Cb 0.10 -1.68 0.71 0.00 -0.86 0.00 0.00 30.24 28.51 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 0.05 0.00 0.00 2.61 0.05 -1.81 -0.72 116.97 117.15 2dky h TYR 38 Ca -0.45 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.33 2dky h TYR 38 Cb 2.01 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.75 2dky h TYR 38 CO 0.06 0.12 -0.40 0.00 -1.05 0.00 0.00 178.16 176.89 2dky n ALA 39 N -2.34 2.71 -0.03 3.88 0.00 -1.23 -3.97 120.51 119.53 2dky n ALA 39 Ca -0.02 -0.17 -0.21 0.00 0.00 0.00 0.00 53.44 53.03 2dky n ALA 39 Cb 0.22 -1.28 -0.13 0.00 0.00 0.00 0.00 19.45 18.26 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 -2.14 0.71 -0.28 0.00 7.27 -0.43 -3.72 117.38 118.80 2dky n GLN 40 Ca 0.04 0.28 0.09 0.00 0.07 0.00 0.00 57.00 57.49 2dky n GLN 40 Cb 0.43 -1.68 0.24 0.00 2.41 0.00 0.00 30.24 31.65 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 -0.11 0.08 -0.65 1.69 3.38 -1.32 0.28 115.31 118.67 2dky h LEU 41 Ca -0.45 0.16 -0.14 0.00 0.09 0.00 0.00 57.88 57.54 2dky h LEU 41 Cb 1.91 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.86 2dky h LEU 41 CO 0.01 -0.06 -0.55 0.22 0.09 0.00 0.00 178.44 178.15 2dky h TYR 42 N 0.28 0.47 0.00 1.13 5.03 -1.75 -1.35 116.97 120.78 2dky h TYR 42 Ca 0.49 -0.16 -0.01 0.00 2.58 0.00 0.00 58.73 61.63 2dky h TYR 42 Cb 0.90 -0.09 -0.00 0.00 1.55 0.00 0.00 36.73 39.09 2dky h TYR 42 CO -0.24 0.84 -0.03 0.93 -1.32 0.00 0.00 178.16 178.34 2dky h GLU 43 N 0.29 0.00 -0.14 1.82 5.08 -0.57 -0.16 114.58 120.90 2dky h GLU 43 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2dky h GLU 43 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2dky h GLU 43 CO 0.09 0.03 0.00 -3.47 -1.00 0.00 0.00 179.01 174.66 2dky n ASP 44 N -3.34 3.04 -2.24 1.42 2.03 -0.67 -4.96 116.55 111.82 2dky n ASP 44 Ca -0.02 -1.97 -0.11 0.00 0.52 0.00 0.00 54.79 53.21 2dky n ASP 44 Cb 0.16 -0.07 0.05 0.00 -0.72 0.00 0.00 41.12 40.53 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 1.32 -1.35 -0.06 -0.67 3.72 -0.07 -4.96 117.46 115.40 2dky n PHE 45 Ca 0.16 0.52 -0.07 0.00 -0.05 0.00 0.00 57.45 58.01 2dky n PHE 45 Cb 0.59 -3.44 -0.15 0.00 -0.94 0.00 0.00 39.48 35.54 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 -2.79 0.36 -4.64 4.37 4.77 -0.53 -4.97 117.00 113.57 2dky n LEU 46 Ca -0.08 0.17 -0.31 0.00 -0.03 0.00 0.00 56.01 55.76 2dky n LEU 46 Cb 0.56 0.32 0.18 0.00 -2.33 0.00 0.00 43.42 42.15 2dky n LEU 46 CO 0.34 0.40 0.62 0.49 -1.33 0.00 0.00 177.39 177.90 2dky n PHE 47 N -2.82 0.53 -1.38 -1.77 3.01 -1.26 -4.61 117.46 109.17 2dky n PHE 47 Ca -0.24 0.34 -0.31 0.00 1.01 0.00 0.00 57.45 58.25 2dky n PHE 47 Cb 1.06 -1.96 0.08 0.00 -0.01 0.00 0.00 39.48 38.65 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 -4.56 2.38 0.51 -1.08 0.04 -1.26 -4.72 135.00 126.31 2dky s PRO 48 Ca 0.67 1.23 0.08 0.00 0.04 0.00 0.00 61.00 63.01 2dky s PRO 48 Cb -0.23 -1.91 0.04 0.00 0.04 0.00 0.00 34.50 32.44 2dky s PRO 48 CO 0.59 -1.55 0.54 0.96 0.04 0.00 0.00 177.00 177.58 2dky s ILE 49 N -2.76 2.21 -0.78 0.56 -4.36 -1.26 -5.05 121.20 109.75 2dky s ILE 49 Ca 0.63 -1.24 -0.23 0.00 -0.26 0.00 0.00 60.65 59.55 2dky s ILE 49 Cb -0.18 -2.45 0.07 0.00 1.25 0.00 0.00 42.46 41.16 2dky s ILE 49 CO 0.52 0.00 1.12 -1.81 0.24 0.00 0.00 174.94 175.01 2dky s ASP 50 N -4.38 6.31 0.02 4.36 1.01 -1.26 -4.90 116.67 117.83 2dky s ASP 50 Ca 0.49 -1.18 -0.21 0.00 0.71 0.00 0.00 52.55 52.35 2dky s ASP 50 Cb -0.04 -2.46 -0.12 0.00 1.01 0.00 0.00 42.92 41.31 2dky s ASP 50 CO 0.30 -1.44 1.16 0.40 0.21 0.00 0.00 175.17 175.80 2dky h ILE 51 N 6.06 0.00 -1.17 0.77 1.08 -1.99 -1.92 117.51 120.34 2dky h ILE 51 Ca -0.13 -0.11 0.34 0.00 -0.39 0.00 0.00 64.86 64.57 2dky h ILE 51 Cb 1.05 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.75 2dky h ILE 51 CO 1.22 0.00 1.15 0.77 -0.69 0.00 0.00 178.15 180.59 2dky h SER 52 N -0.88 0.00 0.03 1.72 4.64 -2.01 0.66 113.55 117.71 2dky h SER 52 Ca -0.08 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.20 2dky h SER 52 Cb 0.59 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.69 2dky h SER 52 CO 0.13 0.00 -0.19 0.25 -0.87 0.00 0.00 176.83 176.15 2dky h LEU 53 N 0.00 0.11 -1.81 5.97 7.12 -1.90 -2.51 115.31 122.29 2dky h LEU 53 Ca 0.55 -0.98 0.23 0.00 0.13 0.00 0.00 57.88 57.81 2dky h LEU 53 Cb 2.84 -0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 42.90 2dky h LEU 53 CO -0.01 1.08 0.73 0.58 -0.13 0.00 0.00 178.44 180.70 2dky h VAL 54 N -0.84 0.32 0.04 1.05 2.07 0.11 0.13 116.25 119.12 2dky h VAL 54 Ca -0.03 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.23 2dky h VAL 54 Cb 1.14 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 2dky h VAL 54 CO 0.04 0.00 -1.41 0.11 0.02 0.00 0.00 177.57 176.32 2dky h LYS 55 N 0.00 0.09 -0.98 1.57 1.57 -1.55 -2.85 116.57 114.42 2dky h LYS 55 Ca 0.38 -0.15 0.10 0.00 -1.87 0.00 0.00 60.65 59.10 2dky h LYS 55 Cb 1.84 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 34.13 2dky h LYS 55 CO -0.00 1.07 0.63 -0.09 -0.57 0.00 0.00 179.45 180.49 2dky h ARG 56 N -0.67 1.00 0.09 3.15 2.43 -0.61 0.64 114.38 120.41 2dky h ARG 56 Ca -0.35 -0.06 -0.22 0.00 -0.81 0.00 0.00 59.98 58.54 2dky h ARG 56 Cb 1.52 -0.23 0.02 0.00 -0.42 0.00 0.00 29.97 30.87 2dky h ARG 56 CO -0.10 0.66 -0.90 0.93 -1.51 0.00 0.00 179.97 179.05 2dky h GLU 57 N 1.03 0.45 -1.05 0.20 4.39 -1.00 -3.28 114.58 115.32 2dky h GLU 57 Ca 0.46 -0.61 -0.46 0.00 0.34 0.00 0.00 59.36 59.10 2dky h GLU 57 Cb 0.37 0.20 -0.25 0.00 -0.10 0.00 0.00 28.75 28.97 2dky h GLU 57 CO -0.21 1.25 0.58 0.72 -1.16 0.00 0.00 179.01 180.19 2dky n HIS 58 N -4.04 2.55 0.10 4.33 8.25 -0.92 -4.54 115.22 120.94 2dky n HIS 58 Ca -0.13 -1.87 0.18 0.00 -0.26 0.00 0.00 57.72 55.65 2dky n HIS 58 Cb 0.84 -0.94 0.73 0.00 1.12 0.00 0.00 29.99 31.74 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 1.07 0.00 -0.65 0.41 1.82 0.22 -1.43 116.42 117.85 2dky h ASP 59 Ca 0.52 0.00 0.09 0.00 -0.39 0.00 0.00 57.03 57.24 2dky h ASP 59 Cb 2.11 0.00 -0.07 0.00 0.68 0.00 0.00 39.33 42.05 2dky h ASP 59 CO 1.01 0.00 0.30 2.19 -1.61 0.00 0.00 179.24 181.12 2dky h PHE 60 N 0.00 0.53 -2.45 0.28 -0.00 -1.84 -3.43 116.94 110.02 2dky h PHE 60 Ca 0.17 0.03 -0.53 0.00 -0.00 0.00 0.00 57.97 57.64 2dky h PHE 60 Cb 0.77 -0.14 0.23 0.00 -0.00 0.00 0.00 35.95 36.82 2dky h PHE 60 CO 0.00 0.18 -1.42 1.28 -0.00 0.00 0.00 178.31 178.35 2dky n LEU 61 N -4.91 -3.50 -4.89 2.10 4.77 -0.54 -4.95 117.00 105.08 2dky n LEU 61 Ca 0.09 0.20 -0.29 0.00 -0.03 0.00 0.00 56.01 55.98 2dky n LEU 61 Cb 0.26 -0.91 0.02 0.00 -2.33 0.00 0.00 43.42 40.45 2dky n LEU 61 CO 0.24 -4.75 0.63 -1.81 -1.33 0.00 0.00 177.39 170.38 2dky s ASP 62 N -1.42 6.05 0.19 -1.43 1.11 -1.26 -4.86 116.67 115.05 2dky s ASP 62 Ca 0.47 1.17 -0.13 0.00 0.18 0.00 0.00 52.55 54.24 2dky s ASP 62 Cb -0.17 -2.25 0.20 0.00 1.07 0.00 0.00 42.92 41.78 2dky s ASP 62 CO 0.75 -0.89 1.69 -0.09 1.18 0.00 0.00 175.17 177.81 2dky h ARG 63 N -0.22 0.15 -0.30 8.23 2.43 -1.93 0.61 114.38 123.35 2dky h ARG 63 Ca -0.45 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.70 2dky h ARG 63 Cb 1.21 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 2dky h ARG 63 CO 0.62 0.10 0.16 -0.44 -1.51 0.00 0.00 179.97 178.90 2dky h ASP 64 N 0.15 0.37 -0.82 -3.80 3.32 -1.99 -0.80 116.42 112.86 2dky h ASP 64 Ca 0.26 -0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.26 2dky h ASP 64 Cb 0.38 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.78 2dky h ASP 64 CO -0.39 0.35 0.52 0.00 -1.72 0.00 0.00 179.24 178.00 2dky h ALA 65 N 1.03 1.10 0.33 3.45 0.00 -1.71 -1.81 119.26 121.66 2dky h ALA 65 Ca 0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2dky h ALA 65 Cb 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2dky h ALA 65 CO -0.02 0.30 -0.16 0.82 0.00 0.00 0.00 179.25 180.19 2dky h ILE 66 N 0.98 0.00 -1.29 0.00 1.08 -0.63 -1.84 117.51 115.80 2dky h ILE 66 Ca 0.34 -0.18 0.42 0.00 -0.39 0.00 0.00 64.86 65.06 2dky h ILE 66 Cb 0.08 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 33.70 2dky h ILE 66 CO -0.14 0.00 0.83 -0.33 -0.69 0.00 0.00 178.15 177.82 2dky h GLU 67 N -0.62 0.10 0.33 2.37 4.39 -1.14 0.23 114.58 120.23 2dky h GLU 67 Ca -0.05 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 2dky h GLU 67 Cb 0.34 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 2dky h GLU 67 CO 0.08 0.06 -0.16 0.00 -1.16 0.00 0.00 179.01 177.83 2dky h ALA 68 N 1.61 -0.44 -0.59 3.43 0.00 -1.28 -2.19 119.26 119.81 2dky h ALA 68 Ca 0.81 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.59 2dky h ALA 68 Cb 2.50 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 20.41 2dky h ALA 68 CO -0.43 -0.51 0.30 1.25 0.00 0.00 0.00 179.25 179.86 2dky h LEU 69 N -0.90 0.42 -0.93 0.00 5.85 0.15 -1.84 115.31 118.05 2dky h LEU 69 Ca -0.04 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.74 2dky h LEU 69 Cb 0.52 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 2dky h LEU 69 CO 0.07 0.27 0.60 0.00 -0.34 0.00 0.00 178.44 179.05 2dky h ARG 71 N 1.18 0.00 0.04 0.00 3.08 -0.66 -0.78 114.38 117.24 2dky h ARG 71 Ca 0.37 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 60.08 2dky h ARG 71 Cb -0.02 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 2dky h ARG 71 CO -0.11 0.00 -1.88 0.54 -1.07 0.00 0.00 179.97 177.44 2dky n ARG 72 N -2.91 0.65 0.34 0.04 5.12 -0.12 -3.95 116.66 115.82 2dky n ARG 72 Ca -0.03 0.36 -0.17 0.00 -1.93 0.00 0.00 57.85 56.09 2dky n ARG 72 Cb 0.10 -1.66 -0.09 0.00 -1.16 0.00 0.00 32.46 29.65 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 -0.49 -0.71 -0.87 0.55 3.38 -0.74 -2.91 115.31 113.52 2dky h LEU 73 Ca -0.46 0.00 0.22 0.00 0.09 0.00 0.00 57.88 57.73 2dky h LEU 73 Cb 1.69 0.18 -0.13 0.00 0.09 0.00 0.00 40.66 42.49 2dky h LEU 73 CO -0.13 -0.46 0.32 -0.55 0.09 0.00 0.00 178.44 177.72 2dky h ASN 74 N -0.90 0.19 -0.86 -0.43 7.08 -1.39 0.24 115.58 119.52 2dky h ASN 74 Ca -0.09 0.17 0.18 0.00 -3.08 0.00 0.00 56.30 53.48 2dky h ASN 74 Cb 0.66 0.18 -0.11 0.00 -2.08 0.00 0.00 38.32 36.98 2dky h ASN 74 CO 0.14 -0.05 0.41 0.74 -2.08 0.00 0.00 177.43 176.58 2dky h THR 75 N 0.32 0.61 0.12 6.14 2.02 -1.64 -0.59 112.91 119.89 2dky h THR 75 Ca 0.54 -0.18 -0.27 0.00 0.77 0.00 0.00 66.41 67.28 2dky h THR 75 Cb 1.04 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 2dky h THR 75 CO -0.56 0.09 -1.24 -0.07 0.37 0.00 0.00 175.52 174.11 2dky h LEU 76 N 0.51 0.39 -1.73 2.58 3.38 -0.58 -2.49 115.31 117.37 2dky h LEU 76 Ca 0.50 -0.42 0.28 0.00 0.09 0.00 0.00 57.88 58.33 2dky h LEU 76 Cb 0.83 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.39 2dky h LEU 76 CO -0.44 1.33 0.70 0.78 0.09 0.00 0.00 178.44 180.90 2dky h ASN 77 N 0.07 0.20 0.09 -0.43 -0.26 0.68 0.94 115.58 116.86 2dky h ASN 77 Ca -0.13 0.03 -0.36 0.00 -0.56 0.00 0.00 56.30 55.29 2dky h ASN 77 Cb 1.96 -0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 39.15 2dky h ASN 77 CO 0.20 0.05 -2.27 2.29 -1.06 0.00 0.00 177.43 176.63 2dky n LYS 78 N -4.39 0.68 0.00 0.81 2.85 -1.00 -3.75 118.16 113.35 2dky n LYS 78 Ca 0.22 0.05 0.14 0.00 -1.05 0.00 0.00 58.31 57.68 2dky n LYS 78 Cb 0.97 -1.57 0.72 0.00 -0.65 0.00 0.00 35.03 34.50 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 1.32 0.52 0.00 0.00 0.31 -4.39 120.51 116.93 2dky n ALA 80 Ca 0.12 -1.01 0.12 0.00 0.00 0.00 0.00 53.44 52.68 2dky n ALA 80 Cb 0.26 -0.20 0.20 0.00 0.00 0.00 0.00 19.45 19.71 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 -0.04 0.00 0.00 0.00 3.04 -1.65 -3.32 116.25 114.28 2dky h VAL 81 Ca -0.56 -0.56 0.00 0.00 -1.01 0.00 0.00 66.70 64.57 2dky h VAL 81 Cb 1.91 1.24 0.00 0.00 -2.01 0.00 0.00 31.29 32.43 2dky h VAL 81 CO -0.07 0.00 0.40 0.00 -1.01 0.00 0.00 177.57 176.88 2dky h MET 82 N 0.00 0.00 0.22 4.17 3.00 -1.49 -1.58 114.93 119.25 2dky h MET 82 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 59.70 59.71 2dky h MET 82 Cb 0.78 0.00 -0.02 0.00 0.00 0.00 0.00 31.60 32.36 2dky h MET 82 CO 0.00 0.00 -0.26 -0.22 0.00 0.00 0.00 176.91 176.43 2dky h LYS 83 N 0.00 -0.51 0.00 -0.10 1.63 -1.85 -3.36 116.57 112.37 2dky h LYS 83 Ca 0.00 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 2dky h LYS 83 Cb 0.79 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.54 2dky h LYS 83 CO 0.00 -0.34 0.00 1.28 -3.45 0.00 0.00 179.45 176.94 2dky n LEU 84 N -5.38 1.04 -4.53 5.20 4.32 -0.60 -4.62 117.00 112.43 2dky n LEU 84 Ca -0.08 0.38 -0.22 0.00 -0.02 0.00 0.00 56.01 56.07 2dky n LEU 84 Cb 0.29 -0.29 -0.14 0.00 -1.62 0.00 0.00 43.42 41.66 2dky n LEU 84 CO 0.28 -0.29 1.77 1.21 -1.22 0.00 0.00 177.39 179.13 2dky n GLU 85 N -1.37 0.33 -3.13 3.23 4.07 -1.21 -4.87 120.64 117.68 2dky n GLU 85 Ca 0.00 -0.33 -0.39 0.00 -0.06 0.00 0.00 57.16 56.38 2dky n GLU 85 Cb 0.00 -2.35 -0.05 0.00 -0.06 0.00 0.00 31.44 28.97 2dky n GLU 85 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2dky s SER 86 N 6.51 7.04 -0.56 4.31 0.15 -1.26 -4.71 113.70 125.18 2dky s SER 86 Ca 1.14 1.24 0.04 0.00 0.70 0.00 0.00 55.95 59.07 2dky s SER 86 Cb -0.55 -2.40 0.16 0.00 -1.71 0.00 0.00 66.02 61.52 2dky s SER 86 CO 0.34 0.07 0.38 -0.83 1.20 0.00 0.00 173.24 174.39 2dky s GLY 87 N -0.10 2.19 0.10 9.45 0.00 -1.26 -4.95 107.32 112.76 2dky s GLY 87 Ca 0.33 -3.17 -0.15 0.00 0.00 0.00 0.00 44.72 41.73 2dky s GLY 87 CO 0.19 1.42 1.43 -0.56 0.00 0.00 0.00 173.10 175.58 2dky h PRO 88 N 5.87 0.71 -6.42 2.90 0.13 -1.98 -3.46 132.00 129.75 2dky h PRO 88 Ca 0.12 -0.37 -0.61 0.00 -0.87 0.00 0.00 66.00 64.27 2dky h PRO 88 Cb 0.84 0.01 0.12 0.00 0.13 0.00 0.00 31.00 32.11 2dky h PRO 88 CO 0.58 0.98 -0.06 0.43 -0.23 0.00 0.00 178.00 179.71 2dky n SER 89 N -4.26 0.52 -4.18 1.44 7.64 -1.26 -4.87 113.62 108.64 2dky n SER 89 Ca -0.04 1.09 -0.35 0.00 1.01 0.00 0.00 58.87 60.58 2dky n SER 89 Cb 0.47 -1.22 0.08 0.00 -1.01 0.00 0.00 64.21 62.53 2dky n SER 89 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dky n SER 90 N 1.19 -3.82 0.00 6.43 7.64 -1.26 -5.21 113.62 118.58 2dky n SER 90 Ca 0.11 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.17 2dky n SER 90 Cb 0.34 -0.92 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 2dky n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64