#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dly n SER 2 N 0.00 -0.96 -4.16 1.61 3.41 -1.26 -4.85 113.62 107.40 2dly n SER 2 Ca 0.00 -1.17 -0.40 0.00 -0.26 0.00 0.00 58.87 57.04 2dly n SER 2 Cb 0.00 -1.49 -0.07 0.00 -0.26 0.00 0.00 64.21 62.39 2dly n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dly s SER 3 N -3.44 5.73 0.05 4.04 1.04 -1.26 -4.94 113.70 114.92 2dly s SER 3 Ca 0.56 -2.88 0.00 0.00 0.48 0.00 0.00 55.95 54.11 2dly s SER 3 Cb -0.33 -1.96 0.00 0.00 0.10 0.00 0.00 66.02 63.83 2dly s SER 3 CO 0.95 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 175.37 2dly n GLY 4 N 3.53 -3.69 3.77 7.32 0.00 -1.26 -4.99 105.19 109.86 2dly n GLY 4 Ca 0.11 -0.83 -0.37 0.00 0.00 0.00 0.00 46.02 44.93 2dly n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dly s SER 5 N -0.82 6.49 -1.21 1.61 0.15 -1.26 -5.02 113.70 113.64 2dly s SER 5 Ca 0.00 0.57 -0.14 0.00 0.70 0.00 0.00 55.95 57.09 2dly s SER 5 Cb 0.00 -2.18 0.17 0.00 -1.71 0.00 0.00 66.02 62.31 2dly s SER 5 CO 0.00 0.19 1.42 -0.44 1.20 0.00 0.00 173.24 175.61 2dly s SER 6 N -0.02 7.09 0.00 5.45 0.01 -1.26 -4.78 113.70 120.18 2dly s SER 6 Ca 0.17 -3.03 0.00 0.00 1.31 0.00 0.00 55.95 54.41 2dly s SER 6 Cb -0.13 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2dly s SER 6 CO 0.05 -0.73 0.00 0.61 0.41 0.00 0.00 173.24 173.59 2dly n GLY 7 N 4.05 0.00 2.85 3.44 0.00 -1.26 -4.88 105.19 109.39 2dly n GLY 7 Ca 0.36 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.23 2dly n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dly s ALA 8 N -0.74 -0.14 -0.23 4.61 0.00 -1.26 -4.54 121.76 119.46 2dly s ALA 8 Ca 0.00 0.54 -0.04 0.00 0.00 0.00 0.00 51.96 52.47 2dly s ALA 8 Cb 0.00 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 2dly s ALA 8 CO 0.00 -0.28 2.85 -1.91 0.00 0.00 0.00 175.76 176.42 2dly n GLU 9 N 4.59 2.02 -3.76 0.00 4.07 -1.26 -4.81 120.64 121.48 2dly n GLU 9 Ca -0.19 -1.52 -0.13 0.00 -0.06 0.00 0.00 57.16 55.27 2dly n GLU 9 Cb 0.51 -1.88 -0.12 0.00 -0.06 0.00 0.00 31.44 29.88 2dly n GLU 9 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2dly s ASP 10 N 1.05 -0.25 0.00 4.31 1.01 -1.26 -5.02 116.67 116.51 2dly s ASP 10 Ca 0.51 0.49 0.00 0.00 0.71 0.00 0.00 52.55 54.25 2dly s ASP 10 Cb 0.30 0.44 0.00 0.00 1.01 0.00 0.00 42.92 44.67 2dly s ASP 10 CO -0.09 -0.12 0.00 -2.11 0.21 0.00 0.00 175.17 173.06 2dly n ARG 11 N 3.53 1.43 -0.05 8.23 -4.01 -1.26 -4.74 116.66 119.79 2dly n ARG 11 Ca -0.18 0.00 -0.05 0.00 -1.04 0.00 0.00 57.85 56.57 2dly n ARG 11 Cb 0.56 -0.88 -0.14 0.00 -3.04 0.00 0.00 32.46 28.96 2dly n ARG 11 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 2dly n SER 12 N -1.14 0.34 0.04 2.89 2.88 -1.26 -4.19 113.62 113.18 2dly n SER 12 Ca 0.00 0.16 0.20 0.00 -1.33 0.00 0.00 58.87 57.90 2dly n SER 12 Cb 0.00 0.75 0.72 0.00 -0.75 0.00 0.00 64.21 64.93 2dly n SER 12 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2dly h LEU 13 N 0.00 0.00 -1.98 2.46 6.46 -1.98 -0.06 115.31 120.21 2dly h LEU 13 Ca -0.35 0.00 0.23 0.00 -0.12 0.00 0.00 57.88 57.63 2dly h LEU 13 Cb 1.92 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.81 2dly h LEU 13 CO 0.04 0.00 0.59 1.56 -0.62 0.00 0.00 178.44 180.01 2dly h GLN 14 N 0.00 0.00 -0.14 1.25 1.08 -1.88 0.39 115.11 115.80 2dly h GLN 14 Ca 0.23 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.37 2dly h GLN 14 Cb 1.00 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.42 2dly h GLN 14 CO -0.00 0.00 -0.18 0.00 -0.95 0.00 0.00 178.83 177.70 2dly h ALA 15 N 1.55 1.45 -2.23 3.87 0.00 -1.29 -3.44 119.26 119.17 2dly h ALA 15 Ca 0.37 -0.24 -0.59 0.00 0.00 0.00 0.00 54.91 54.45 2dly h ALA 15 Cb 1.55 -0.08 0.06 0.00 0.00 0.00 0.00 17.79 19.32 2dly h ALA 15 CO -0.00 0.39 0.72 0.39 0.00 0.00 0.00 179.25 180.74 2dly n GLU 16 N -4.24 2.02 -0.05 0.00 -0.58 0.14 -4.91 120.64 113.02 2dly n GLU 16 Ca -0.01 0.73 -0.13 0.00 -0.42 0.00 0.00 57.16 57.33 2dly n GLU 16 Cb 0.30 -2.45 -0.07 0.00 -0.57 0.00 0.00 31.44 28.64 2dly n GLU 16 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2dly h PRO 17 N 5.34 0.31 0.00 3.49 0.13 -1.86 -2.91 132.00 136.50 2dly h PRO 17 Ca -0.45 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 2dly h PRO 17 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2dly h PRO 17 CO 0.84 0.71 0.00 -2.67 -0.23 0.00 0.00 178.00 176.65 2dly n TRP 18 N -4.60 0.00 -3.20 1.56 4.27 -1.26 -4.55 117.44 109.66 2dly n TRP 18 Ca -0.06 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.14 2dly n TRP 18 Cb 0.35 -0.44 -0.07 0.00 -1.36 0.00 0.00 31.31 29.79 2dly n TRP 18 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 2dly s PHE 19 N -2.87 3.25 -0.14 -2.67 5.36 -1.10 0.55 117.98 120.37 2dly s PHE 19 Ca 0.06 0.61 0.16 0.00 -0.96 0.00 0.00 56.93 56.79 2dly s PHE 19 Cb 0.06 -2.79 0.28 0.00 -0.34 0.00 0.00 43.02 40.22 2dly s PHE 19 CO 0.15 -0.34 1.17 1.19 -1.46 0.00 0.00 175.22 175.93 2dly n PHE 20 N 5.63 0.14 0.00 10.12 3.01 -1.12 -4.87 117.46 130.37 2dly n PHE 20 Ca -0.03 -0.90 0.00 0.00 1.01 0.00 0.00 57.45 57.53 2dly n PHE 20 Cb 0.49 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.81 2dly n PHE 20 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2dly n GLY 21 N -1.13 2.26 3.06 1.37 0.00 -1.26 -4.42 105.19 105.07 2dly n GLY 21 Ca 0.14 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 2dly n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dly s ALA 22 N -1.82 2.92 0.26 4.61 0.00 -1.26 0.51 121.76 126.97 2dly s ALA 22 Ca 0.00 -2.41 0.05 0.00 0.00 0.00 0.00 51.96 49.59 2dly s ALA 22 Cb 0.00 -2.03 -0.05 0.00 0.00 0.00 0.00 23.12 21.04 2dly s ALA 22 CO 0.00 -1.64 -0.02 0.96 0.00 0.00 0.00 175.76 175.06 2dly s ILE 23 N 1.00 1.27 0.31 0.00 -4.36 -1.26 -4.89 121.20 113.27 2dly s ILE 23 Ca 0.07 -2.06 -0.10 0.00 -0.26 0.00 0.00 60.65 58.30 2dly s ILE 23 Cb -0.20 -2.42 -0.07 0.00 1.25 0.00 0.00 42.46 41.02 2dly s ILE 23 CO -0.06 -0.29 0.65 -0.54 0.24 0.00 0.00 174.94 174.93 2dly s LYS 24 N -3.82 3.79 0.43 0.37 1.02 -1.26 -4.74 119.74 115.54 2dly s LYS 24 Ca 0.29 0.33 0.24 0.00 0.02 0.00 0.00 55.97 56.86 2dly s LYS 24 Cb 0.05 -2.53 1.26 0.00 -0.52 0.00 0.00 37.83 36.09 2dly s LYS 24 CO 0.10 0.16 1.73 0.07 -0.92 0.00 0.00 175.35 176.50 2dly h ARG 25 N 1.91 0.24 -0.47 1.68 0.11 -1.99 0.34 114.38 116.21 2dly h ARG 25 Ca -0.47 -0.01 -0.02 0.00 0.10 0.00 0.00 59.98 59.57 2dly h ARG 25 Cb 1.18 -0.05 -0.02 0.00 1.11 0.00 0.00 29.97 32.18 2dly h ARG 25 CO 0.66 0.16 0.21 0.00 0.10 0.00 0.00 179.97 181.10 2dly h ALA 26 N 1.58 0.61 -0.28 0.08 0.00 -1.99 0.21 119.26 119.46 2dly h ALA 26 Ca 0.66 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 55.33 2dly h ALA 26 Cb 1.93 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 2dly h ALA 26 CO -0.29 0.19 -0.26 0.22 0.00 0.00 0.00 179.25 179.12 2dly h ASP 27 N 0.62 0.57 -0.04 0.00 3.58 -0.73 -2.80 116.42 117.61 2dly h ASP 27 Ca 0.16 -0.20 -0.04 0.00 0.42 0.00 0.00 57.03 57.37 2dly h ASP 27 Cb 0.16 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2dly h ASP 27 CO -0.02 0.82 -0.12 0.00 -2.88 0.00 0.00 179.24 177.04 2dly h ALA 28 N 1.23 0.07 0.10 -0.78 0.00 -0.98 -3.16 119.26 115.74 2dly h ALA 28 Ca 0.07 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.63 2dly h ALA 28 Cb 0.71 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 2dly h ALA 28 CO 0.05 -0.03 -0.41 0.93 0.00 0.00 0.00 179.25 179.79 2dly h GLU 29 N -0.39 -0.57 -0.97 0.00 5.08 -0.56 0.12 114.58 117.29 2dly h GLU 29 Ca -0.00 0.04 0.32 0.00 -1.00 0.00 0.00 59.36 58.71 2dly h GLU 29 Cb 0.74 0.13 -0.16 0.00 0.50 0.00 0.00 28.75 29.96 2dly h GLU 29 CO 0.03 -0.38 0.42 0.87 -1.00 0.00 0.00 179.01 178.95 2dly h LYS 30 N -0.59 0.19 -0.20 2.33 1.57 -1.62 1.24 116.57 119.49 2dly h LYS 30 Ca -0.01 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 2dly h LYS 30 Cb 0.59 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 2dly h LYS 30 CO -0.22 0.12 -0.34 1.96 -0.57 0.00 0.00 179.45 180.40 2dly h GLN 31 N 0.19 0.42 0.19 3.15 1.08 -1.24 -2.46 115.11 116.45 2dly h GLN 31 Ca 0.70 -0.18 -0.01 0.00 -1.45 0.00 0.00 58.65 57.71 2dly h GLN 31 Cb 1.62 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 29.04 2dly h GLN 31 CO -0.69 0.71 -0.09 -0.07 -0.95 0.00 0.00 178.83 177.74 2dly h LEU 32 N 0.36 -0.22 -2.01 1.46 3.38 0.33 -3.20 115.31 115.42 2dly h LEU 32 Ca 0.04 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2dly h LEU 32 Cb 0.77 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2dly h LEU 32 CO 0.06 0.32 0.23 -0.07 0.09 0.00 0.00 178.44 179.07 2dly h LEU 33 N -0.98 0.00 -6.89 1.67 3.38 -0.53 -3.44 115.31 108.52 2dly h LEU 33 Ca -0.03 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.48 2dly h LEU 33 Cb 0.43 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.31 2dly h LEU 33 CO 0.04 0.00 -0.81 0.00 0.09 0.00 0.00 178.44 177.76 2dly n TYR 34 N -2.76 -1.94 0.11 1.13 9.36 -0.93 -4.87 117.16 117.27 2dly n TYR 34 Ca -0.02 0.41 -0.04 0.00 3.32 0.00 0.00 57.90 61.56 2dly n TYR 34 Cb 0.27 -1.32 -0.02 0.00 -0.63 0.00 0.00 39.34 37.64 2dly n TYR 34 CO 0.00 0.00 0.00 0.77 0.22 0.00 0.00 176.86 177.85 2dly h SER 35 N 0.11 -0.24 -1.56 2.98 0.02 -1.90 -3.05 113.55 109.91 2dly h SER 35 Ca -0.30 0.01 0.50 0.00 -0.84 0.00 0.00 61.79 61.16 2dly h SER 35 Cb 1.11 0.06 -0.12 0.00 0.14 0.00 0.00 62.40 63.60 2dly h SER 35 CO 0.34 -0.14 1.05 -0.62 -1.14 0.00 0.00 176.83 176.32 2dly n GLU 36 N -2.96 -0.02 -3.00 3.45 -0.58 -1.26 -4.25 120.64 112.02 2dly n GLU 36 Ca -0.04 1.16 -0.38 0.00 -0.42 0.00 0.00 57.16 57.49 2dly n GLU 36 Cb 0.11 -2.42 -0.06 0.00 -0.57 0.00 0.00 31.44 28.50 2dly n GLU 36 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2dly s ASN 37 N -4.13 7.29 0.30 1.62 0.01 -1.15 -5.07 114.94 113.80 2dly s ASN 37 Ca -0.06 1.60 0.02 0.00 -0.71 0.00 0.00 52.86 53.71 2dly s ASN 37 Cb 0.29 -2.48 -0.05 0.00 0.41 0.00 0.00 41.25 39.42 2dly s ASN 37 CO 0.82 0.13 0.10 -1.10 -1.51 0.00 0.00 177.10 175.55 2dly s GLN 38 N -1.48 1.56 -0.42 -0.60 1.11 -1.26 -4.72 119.66 113.84 2dly s GLN 38 Ca 0.39 -1.87 -0.38 0.00 0.01 0.00 0.00 55.36 53.52 2dly s GLN 38 Cb -0.21 -0.42 -0.16 0.00 -1.01 0.00 0.00 33.01 31.21 2dly s GLN 38 CO 0.24 -0.32 1.73 2.41 0.01 0.00 0.00 175.29 179.37 2dly n THR 39 N -0.59 0.00 0.00 -0.19 -1.04 -1.26 -1.86 114.28 109.34 2dly n THR 39 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2dly n THR 39 Cb 0.66 -0.42 0.00 0.00 -1.82 0.00 0.00 70.33 68.75 2dly n THR 39 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2dly n GLY 40 N 5.82 2.52 3.72 3.41 0.00 0.32 -4.89 105.19 116.09 2dly n GLY 40 Ca 0.43 -0.34 -0.60 0.00 0.00 0.00 0.00 46.02 45.52 2dly n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dly n ALA 41 N 0.00 -0.45 -2.56 4.61 0.00 -0.78 -3.64 120.51 117.69 2dly n ALA 41 Ca 0.00 0.41 -0.23 0.00 0.00 0.00 0.00 53.44 53.62 2dly n ALA 41 Cb 0.00 -2.16 -0.14 0.00 0.00 0.00 0.00 19.45 17.15 2dly n ALA 41 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2dly s PHE 42 N 3.40 1.47 -0.18 0.00 -0.71 -1.00 -1.45 117.98 119.50 2dly s PHE 42 Ca 1.00 -0.34 -0.11 0.00 -1.04 0.00 0.00 56.93 56.44 2dly s PHE 42 Cb -1.16 -0.89 0.06 0.00 -1.21 0.00 0.00 43.02 39.82 2dly s PHE 42 CO 0.69 0.04 0.45 -0.48 -1.34 0.00 0.00 175.22 174.58 2dly s LEU 43 N -0.99 -0.19 -0.13 -1.99 0.05 -0.57 -1.40 118.68 113.47 2dly s LEU 43 Ca 0.05 0.98 -0.06 0.00 0.05 0.00 0.00 54.13 55.14 2dly s LEU 43 Cb -0.08 1.50 -0.04 0.00 -2.05 0.00 0.00 46.19 45.53 2dly s LEU 43 CO 0.01 -0.20 0.10 -0.63 -0.55 0.00 0.00 176.35 175.08 2dly s ILE 44 N 1.35 5.11 0.21 1.48 1.09 0.19 -2.18 121.20 128.46 2dly s ILE 44 Ca -0.09 0.07 0.02 0.00 -1.10 0.00 0.00 60.65 59.54 2dly s ILE 44 Cb -0.08 -3.24 -0.05 0.00 -1.06 0.00 0.00 42.46 38.04 2dly s ILE 44 CO -0.13 0.56 0.03 0.00 -0.10 0.00 0.00 174.94 175.31 2dly s ARG 45 N -0.56 1.23 0.06 2.79 1.70 -0.97 -2.78 118.95 120.43 2dly s ARG 45 Ca 0.11 -1.62 -0.23 0.00 -0.47 0.00 0.00 55.73 53.52 2dly s ARG 45 Cb -0.12 -0.31 -0.06 0.00 -0.57 0.00 0.00 34.95 33.90 2dly s ARG 45 CO 0.02 -0.18 0.69 -1.21 -1.08 0.00 0.00 175.30 173.55 2dly s GLU 46 N -3.95 4.42 -0.38 3.89 2.02 0.18 -0.98 118.70 123.90 2dly s GLU 46 Ca 0.29 0.95 -0.29 0.00 0.02 0.00 0.00 54.97 55.94 2dly s GLU 46 Cb 0.07 -3.32 0.02 0.00 0.10 0.00 0.00 34.13 30.99 2dly s GLU 46 CO 0.08 0.41 1.22 0.45 0.02 0.00 0.00 175.26 177.44 2dly s SER 47 N -0.45 6.66 1.05 -0.19 0.15 -0.92 -4.14 113.70 115.86 2dly s SER 47 Ca 0.35 0.87 -0.24 0.00 0.70 0.00 0.00 55.95 57.62 2dly s SER 47 Cb -0.20 -2.54 -0.07 0.00 -1.71 0.00 0.00 66.02 61.49 2dly s SER 47 CO 0.21 -1.15 -0.92 1.21 1.20 0.00 0.00 173.24 173.79 2dly n GLU 48 N 7.52 -0.68 -3.47 5.44 0.00 -1.26 -2.16 120.64 126.03 2dly n GLU 48 Ca 0.14 -0.19 -0.21 0.00 0.00 0.00 0.00 57.16 56.90 2dly n GLU 48 Cb 0.48 -1.29 -0.04 0.00 0.00 0.00 0.00 31.44 30.59 2dly n GLU 48 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 2dly n SER 49 N 1.35 -1.55 -3.64 4.31 3.41 -1.26 -4.83 113.62 111.41 2dly n SER 49 Ca -0.01 -0.34 -0.05 0.00 -0.26 0.00 0.00 58.87 58.21 2dly n SER 49 Cb 0.70 -1.41 -0.07 0.00 -0.26 0.00 0.00 64.21 63.18 2dly n SER 49 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2dly s GLN 50 N -6.07 0.41 -0.14 4.33 2.00 -0.92 -5.16 119.66 114.11 2dly s GLN 50 Ca 0.40 0.59 -0.02 0.00 -2.00 0.00 0.00 55.36 54.32 2dly s GLN 50 Cb -0.23 0.14 -0.02 0.00 0.80 0.00 0.00 33.01 33.70 2dly s GLN 50 CO 0.49 -0.07 -0.07 0.21 -0.50 0.00 0.00 175.29 175.36 2dly s LYS 51 N 0.77 3.56 0.00 1.67 2.36 -1.26 -4.44 119.74 122.40 2dly s LYS 51 Ca -0.03 -0.57 0.00 0.00 -2.55 0.00 0.00 55.97 52.83 2dly s LYS 51 Cb -0.04 -2.82 0.00 0.00 -1.05 0.00 0.00 37.83 33.92 2dly s LYS 51 CO -0.11 0.25 0.00 0.41 1.55 0.00 0.00 175.35 177.45 2dly n GLY 52 N 3.48 2.89 3.79 5.54 0.00 -1.26 -5.05 105.19 114.58 2dly n GLY 52 Ca -0.18 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 2dly n GLY 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dly s ASP 53 N 0.64 6.60 0.21 1.61 1.11 -1.26 -4.98 116.67 120.59 2dly s ASP 53 Ca 0.00 1.94 -0.01 0.00 0.18 0.00 0.00 52.55 54.66 2dly s ASP 53 Cb 0.00 -2.57 -0.04 0.00 1.07 0.00 0.00 42.92 41.38 2dly s ASP 53 CO 0.00 -0.60 0.12 -0.36 1.18 0.00 0.00 175.17 175.51 2dly s PHE 54 N -1.87 1.21 -0.03 4.23 0.40 -1.26 -2.17 117.98 118.51 2dly s PHE 54 Ca 0.63 -1.34 0.01 0.00 -0.60 0.00 0.00 56.93 55.63 2dly s PHE 54 Cb -0.18 -0.62 0.02 0.00 0.51 0.00 0.00 43.02 42.76 2dly s PHE 54 CO 0.22 -0.58 -0.01 -1.12 0.70 0.00 0.00 175.22 174.43 2dly s SER 55 N -3.18 0.47 -0.39 1.36 0.01 -0.15 -2.42 113.70 109.40 2dly s SER 55 Ca 0.38 -0.05 -0.15 0.00 1.31 0.00 0.00 55.95 57.44 2dly s SER 55 Cb 0.07 -0.21 0.01 0.00 0.21 0.00 0.00 66.02 66.10 2dly s SER 55 CO 0.12 -0.06 0.32 -0.22 0.41 0.00 0.00 173.24 173.80 2dly s LEU 56 N 0.77 4.88 -0.24 2.44 2.96 -0.05 -2.29 118.68 127.17 2dly s LEU 56 Ca -0.08 -0.70 -0.06 0.00 -0.22 0.00 0.00 54.13 53.07 2dly s LEU 56 Cb -0.11 -2.22 -0.02 0.00 0.50 0.00 0.00 46.19 44.34 2dly s LEU 56 CO -0.01 -0.42 0.03 -0.94 -1.32 0.00 0.00 176.35 173.68 2dly s SER 57 N 1.72 4.83 0.09 3.68 1.04 -0.92 -0.63 113.70 123.50 2dly s SER 57 Ca 0.07 -0.27 0.08 0.00 0.48 0.00 0.00 55.95 56.31 2dly s SER 57 Cb -0.18 -1.85 -0.03 0.00 0.10 0.00 0.00 66.02 64.05 2dly s SER 57 CO 0.11 -0.02 -0.21 -0.69 0.98 0.00 0.00 173.24 173.41 2dly s VAL 58 N 1.52 1.73 -0.14 5.02 1.01 -1.10 -1.50 120.40 126.93 2dly s VAL 58 Ca 0.06 -1.48 -0.09 0.00 0.00 0.00 0.00 61.98 60.47 2dly s VAL 58 Cb -0.15 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 2dly s VAL 58 CO 0.01 0.00 0.16 -0.22 0.00 0.00 0.00 175.10 175.06 2dly s LEU 59 N -1.76 4.33 -0.49 3.92 2.96 -0.53 -0.30 118.68 126.82 2dly s LEU 59 Ca 0.07 0.43 0.04 0.00 -0.22 0.00 0.00 54.13 54.45 2dly s LEU 59 Cb -0.10 -2.13 0.18 0.00 0.50 0.00 0.00 46.19 44.64 2dly s LEU 59 CO 0.04 0.32 0.39 -0.67 -1.32 0.00 0.00 176.35 175.11 2dly n ASP 60 N 2.53 0.47 -0.54 3.68 2.03 0.13 -0.52 116.55 124.33 2dly n ASP 60 Ca -0.18 -2.61 -0.05 0.00 0.52 0.00 0.00 54.79 52.47 2dly n ASP 60 Cb 0.54 -0.61 -0.01 0.00 -0.72 0.00 0.00 41.12 40.32 2dly n ASP 60 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2dly n GLU 61 N 2.52 -0.41 0.00 -0.67 1.02 -1.26 -3.11 120.64 118.72 2dly n GLU 61 Ca 0.27 0.44 0.00 0.00 -0.02 0.00 0.00 57.16 57.85 2dly n GLU 61 Cb 0.45 -4.21 0.00 0.00 -0.02 0.00 0.00 31.44 27.66 2dly n GLU 61 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dly n GLY 62 N -1.55 1.15 3.69 0.62 0.00 -1.26 -5.04 105.19 102.80 2dly n GLY 62 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 2dly n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dly s VAL 63 N -2.14 5.29 -0.44 1.61 0.11 -1.18 -4.84 120.40 118.81 2dly s VAL 63 Ca 0.00 0.50 -0.19 0.00 -2.93 0.00 0.00 61.98 59.37 2dly s VAL 63 Cb 0.00 -3.63 0.03 0.00 -1.53 0.00 0.00 36.38 31.25 2dly s VAL 63 CO 0.00 0.33 0.54 -0.69 -3.33 0.00 0.00 175.10 171.95 2dly s VAL 64 N 0.88 4.96 -0.43 2.04 1.01 -1.26 0.23 120.40 127.83 2dly s VAL 64 Ca 0.15 -0.19 -0.24 0.00 0.00 0.00 0.00 61.98 61.70 2dly s VAL 64 Cb -0.14 -4.14 0.02 0.00 0.00 0.00 0.00 36.38 32.13 2dly s VAL 64 CO 0.05 -0.54 0.81 -0.54 0.00 0.00 0.00 175.10 174.88 2dly s LYS 65 N 2.46 3.51 -0.45 2.72 3.01 0.59 -4.89 119.74 126.68 2dly s LYS 65 Ca 0.16 0.04 -0.26 0.00 -1.01 0.00 0.00 55.97 54.90 2dly s LYS 65 Cb -0.16 -3.91 0.03 0.00 -1.01 0.00 0.00 37.83 32.78 2dly s LYS 65 CO 0.16 -1.08 0.98 -1.01 0.51 0.00 0.00 175.35 174.91 2dly s HIS 66 N 3.34 2.91 -0.29 3.18 3.76 -1.26 -2.73 115.29 124.20 2dly s HIS 66 Ca 0.32 0.51 -0.08 0.00 -0.15 0.00 0.00 55.06 55.66 2dly s HIS 66 Cb -0.12 -4.05 -0.00 0.00 1.11 0.00 0.00 32.58 29.52 2dly s HIS 66 CO 0.22 -1.11 0.09 0.71 -0.85 0.00 0.00 174.74 173.80 2dly s TYR 67 N 3.89 3.14 0.03 1.40 2.02 0.19 -4.98 117.35 123.04 2dly s TYR 67 Ca 0.40 -0.77 -0.30 0.00 -0.37 0.00 0.00 57.07 56.02 2dly s TYR 67 Cb -0.10 -2.27 -0.06 0.00 -0.40 0.00 0.00 41.96 39.13 2dly s TYR 67 CO 0.27 -0.51 1.37 0.50 -1.57 0.00 0.00 175.55 175.62 2dly s ARG 68 N 1.55 4.31 -0.53 -0.62 6.06 -1.26 -0.87 118.95 127.59 2dly s ARG 68 Ca 0.04 1.96 -0.16 0.00 -2.50 0.00 0.00 55.73 55.07 2dly s ARG 68 Cb -0.17 -3.48 0.11 0.00 0.06 0.00 0.00 34.95 31.48 2dly s ARG 68 CO 0.03 -0.51 0.49 0.42 -2.50 0.00 0.00 175.30 173.24 2dly s ILE 69 N 1.97 5.19 0.16 4.11 1.01 -1.01 -4.67 121.20 127.95 2dly s ILE 69 Ca 0.63 -1.36 -0.20 0.00 0.00 0.00 0.00 60.65 59.73 2dly s ILE 69 Cb -0.32 -4.30 -0.08 0.00 0.01 0.00 0.00 42.46 37.77 2dly s ILE 69 CO 0.27 -0.82 0.66 -0.13 0.00 0.00 0.00 174.94 174.93 2dly s ARG 70 N 1.69 4.25 0.17 2.79 0.52 -0.85 -3.99 118.95 123.54 2dly s ARG 70 Ca 0.04 0.82 0.05 0.00 -0.52 0.00 0.00 55.73 56.13 2dly s ARG 70 Cb -0.28 -3.05 -0.04 0.00 0.52 0.00 0.00 34.95 32.10 2dly s ARG 70 CO 0.04 0.51 0.13 1.03 0.02 0.00 0.00 175.30 177.03 2dly s ARG 71 N -1.59 2.85 0.43 3.54 0.52 -1.26 -1.36 118.95 122.08 2dly s ARG 71 Ca 0.37 -0.91 0.05 0.00 -0.52 0.00 0.00 55.73 54.72 2dly s ARG 71 Cb -0.18 -2.61 0.05 0.00 0.52 0.00 0.00 34.95 32.73 2dly s ARG 71 CO 0.21 0.47 0.43 1.28 0.02 0.00 0.00 175.30 177.71 2dly n LEU 72 N -0.40 0.00 -0.00 2.53 7.99 -0.83 -5.00 117.00 121.29 2dly n LEU 72 Ca -0.08 -2.07 0.09 0.00 -0.01 0.00 0.00 56.01 53.93 2dly n LEU 72 Cb 0.55 -0.15 -0.11 0.00 -0.11 0.00 0.00 43.42 43.61 2dly n LEU 72 CO 0.43 -0.57 -0.09 0.47 -1.51 0.00 0.00 177.39 176.12 2dly n ASP 73 N -2.12 0.85 -0.00 -1.43 8.00 -1.26 -4.62 116.55 115.97 2dly n ASP 73 Ca 0.04 -0.86 -0.01 0.00 0.71 0.00 0.00 54.79 54.67 2dly n ASP 73 Cb 0.47 1.06 -0.00 0.00 -0.02 0.00 0.00 41.12 42.63 2dly n ASP 73 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2dly n GLU 74 N -1.48 0.02 0.00 -1.24 0.28 -1.26 -5.04 120.64 111.92 2dly n GLU 74 Ca 0.03 0.01 0.00 0.00 -0.16 0.00 0.00 57.16 57.04 2dly n GLU 74 Cb 0.30 -0.88 0.00 0.00 1.43 0.00 0.00 31.44 32.29 2dly n GLU 74 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2dly n GLY 75 N 3.31 0.98 0.00 -1.84 0.00 -1.26 -5.13 105.19 101.25 2dly n GLY 75 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2dly n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dly n GLY 76 N 5.00 0.19 3.50 -0.02 0.00 -0.58 -4.85 105.19 108.43 2dly n GLY 76 Ca 0.00 0.33 -0.33 0.00 0.00 0.00 0.00 46.02 46.02 2dly n GLY 76 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dly s PHE 77 N 0.95 2.76 -0.17 1.61 0.08 -0.67 -1.96 117.98 120.57 2dly s PHE 77 Ca 0.00 -0.13 -0.09 0.00 0.12 0.00 0.00 56.93 56.82 2dly s PHE 77 Cb 0.00 -1.66 0.06 0.00 -0.57 0.00 0.00 43.02 40.86 2dly s PHE 77 CO 0.00 0.20 0.42 -0.59 -0.10 0.00 0.00 175.22 175.15 2dly s PHE 78 N -0.71 -0.62 -0.18 0.36 -0.71 -0.46 0.80 117.98 116.46 2dly s PHE 78 Ca 0.11 1.32 0.20 0.00 -1.04 0.00 0.00 56.93 57.51 2dly s PHE 78 Cb -0.11 0.27 -0.06 0.00 -1.21 0.00 0.00 43.02 41.92 2dly s PHE 78 CO 0.01 -0.35 0.96 1.25 -1.34 0.00 0.00 175.22 175.74 2dly h LEU 79 N 7.19 0.00 -7.30 -1.99 5.85 -1.82 -2.25 115.31 114.99 2dly h LEU 79 Ca -0.35 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.12 2dly h LEU 79 Cb 1.18 0.00 -0.33 0.00 0.37 0.00 0.00 40.66 41.88 2dly h LEU 79 CO 0.28 0.28 -0.57 0.28 -0.34 0.00 0.00 178.44 178.37 2dly s THR 80 N -3.15 -0.20 0.61 1.05 -1.32 -1.25 -4.86 115.64 106.52 2dly s THR 80 Ca -0.01 0.25 0.25 0.00 -1.21 0.00 0.00 61.69 60.97 2dly s THR 80 Cb 0.09 -0.33 0.36 0.00 -1.51 0.00 0.00 72.50 71.10 2dly s THR 80 CO 0.80 0.11 1.35 0.03 -2.21 0.00 0.00 174.62 174.69 2dly h ARG 81 N 7.84 0.00 -0.45 7.08 2.47 -2.00 0.88 114.38 130.20 2dly h ARG 81 Ca -0.26 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.44 2dly h ARG 81 Cb 1.13 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.43 2dly h ARG 81 CO 0.26 0.00 0.21 0.00 0.56 0.00 0.00 179.97 181.00 2dly h ARG 82 N 0.00 0.66 -5.56 0.04 3.08 -2.00 -3.43 114.38 107.17 2dly h ARG 82 Ca 0.42 -0.10 -0.49 0.00 0.07 0.00 0.00 59.98 59.88 2dly h ARG 82 Cb 2.65 -0.12 -0.25 0.00 0.08 0.00 0.00 29.97 32.33 2dly h ARG 82 CO -0.00 0.57 -0.81 0.21 -1.07 0.00 0.00 179.97 178.87 2dly s LYS 83 N -5.67 1.08 0.09 0.04 2.47 0.31 -5.15 119.74 112.90 2dly s LYS 83 Ca -0.13 -0.80 0.02 0.00 -1.56 0.00 0.00 55.97 53.50 2dly s LYS 83 Cb 0.11 -1.13 -0.04 0.00 -1.46 0.00 0.00 37.83 35.32 2dly s LYS 83 CO 0.76 0.28 -0.08 0.08 0.16 0.00 0.00 175.35 176.55 2dly s VAL 84 N -0.81 0.74 0.19 4.02 1.01 -1.26 -3.88 120.40 120.42 2dly s VAL 84 Ca 0.04 -1.75 0.03 0.00 0.00 0.00 0.00 61.98 60.30 2dly s VAL 84 Cb -0.08 -1.46 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 2dly s VAL 84 CO 0.01 -0.73 0.10 0.49 0.00 0.00 0.00 175.10 174.98 2dly n PHE 85 N 0.31 -0.13 -0.05 5.22 3.72 0.24 -4.98 117.46 121.79 2dly n PHE 85 Ca -0.14 -1.36 -0.08 0.00 -0.05 0.00 0.00 57.45 55.82 2dly n PHE 85 Cb 0.59 0.06 -0.04 0.00 -0.94 0.00 0.00 39.48 39.16 2dly n PHE 85 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2dly n SER 86 N -2.03 1.88 -4.20 4.37 7.64 -1.26 -1.53 113.62 118.49 2dly n SER 86 Ca 0.00 0.04 -0.18 0.00 1.01 0.00 0.00 58.87 59.74 2dly n SER 86 Cb 0.31 -0.21 -0.11 0.00 -1.01 0.00 0.00 64.21 63.18 2dly n SER 86 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2dly s THR 87 N -2.17 1.17 0.57 0.44 -4.23 -1.26 -3.90 115.64 106.26 2dly s THR 87 Ca -0.12 -1.52 0.36 0.00 -1.18 0.00 0.00 61.69 59.22 2dly s THR 87 Cb 0.04 -1.30 0.52 0.00 1.34 0.00 0.00 72.50 73.10 2dly s THR 87 CO 0.18 -0.35 1.64 -0.07 -0.54 0.00 0.00 174.62 175.48 2dly h LEU 88 N 3.88 0.00 0.36 4.79 3.38 -1.97 -0.93 115.31 124.82 2dly h LEU 88 Ca -0.40 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.55 2dly h LEU 88 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2dly h LEU 88 CO 0.46 0.00 -0.17 -1.13 0.09 0.00 0.00 178.44 177.69 2dly h ASN 89 N 0.00 -0.41 0.02 -0.43 -0.73 -2.00 -2.66 115.58 109.37 2dly h ASN 89 Ca 0.56 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.74 2dly h ASN 89 Cb 2.56 0.11 0.00 0.00 0.27 0.00 0.00 38.32 41.26 2dly h ASN 89 CO -0.01 -0.27 0.00 -0.33 -0.37 0.00 0.00 177.43 176.45 2dly h GLU 90 N -0.54 0.00 -0.31 6.67 5.08 -1.62 0.20 114.58 124.06 2dly h GLU 90 Ca -0.05 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.14 2dly h GLU 90 Cb 0.37 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 2dly h GLU 90 CO 0.08 0.00 -0.48 0.35 -1.00 0.00 0.00 179.01 177.96 2dly h PHE 91 N 0.00 1.04 0.04 4.33 3.04 -1.05 -3.03 116.94 121.31 2dly h PHE 91 Ca 0.00 -0.34 -0.33 0.00 3.98 0.00 0.00 57.97 61.27 2dly h PHE 91 Cb 0.01 -0.21 -0.05 0.00 2.56 0.00 0.00 35.95 38.27 2dly h PHE 91 CO 0.00 1.16 -1.97 0.28 -2.02 0.00 0.00 178.31 175.75 2dly n VAL 92 N -4.02 1.62 0.06 1.41 0.31 -0.55 -3.82 118.33 113.34 2dly n VAL 92 Ca -0.03 -0.74 0.15 0.00 -0.01 0.00 0.00 64.34 63.71 2dly n VAL 92 Cb 0.59 -1.20 0.64 0.00 -0.91 0.00 0.00 33.84 32.97 2dly n VAL 92 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2dly h ASN 93 N 0.02 0.07 0.03 4.52 2.35 -1.08 0.13 115.58 121.61 2dly h ASN 93 Ca -0.40 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.35 2dly h ASN 93 Cb 2.05 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 40.40 2dly h ASN 93 CO 0.06 0.04 -0.02 0.22 -1.65 0.00 0.00 177.43 176.08 2dly h TYR 94 N 0.07 -0.04 -0.84 1.19 3.20 -1.68 -3.36 116.97 115.51 2dly h TYR 94 Ca 0.19 -0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.25 2dly h TYR 94 Cb 0.65 0.01 -0.12 0.00 1.54 0.00 0.00 36.73 38.82 2dly h TYR 94 CO -0.00 -0.03 0.33 1.88 -1.64 0.00 0.00 178.16 178.70 2dly h TYR 95 N -0.36 0.54 -0.76 -3.82 0.05 -1.64 0.17 116.97 111.15 2dly h TYR 95 Ca -0.00 0.04 0.22 0.00 0.05 0.00 0.00 58.73 59.04 2dly h TYR 95 Cb 0.03 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 37.64 2dly h TYR 95 CO 0.01 -0.03 1.10 1.79 -1.05 0.00 0.00 178.16 179.99 2dly h THR 96 N 0.38 0.03 0.11 -2.88 1.35 -0.89 1.44 112.91 112.45 2dly h THR 96 Ca 0.50 0.00 -0.35 0.00 -0.55 0.00 0.00 66.41 66.01 2dly h THR 96 Cb 0.89 0.06 -0.02 0.00 -1.73 0.00 0.00 68.15 67.36 2dly h THR 96 CO -0.50 0.00 -1.89 0.71 -0.25 0.00 0.00 175.52 173.58 2dly h THR 97 N 0.00 0.73 -3.51 6.82 1.35 -0.82 -3.44 112.91 114.04 2dly h THR 97 Ca 0.36 -2.45 -0.07 0.00 -0.55 0.00 0.00 66.41 63.70 2dly h THR 97 Cb 2.57 2.54 -0.14 0.00 -1.73 0.00 0.00 68.15 71.38 2dly h THR 97 CO -0.00 0.83 -0.22 0.28 -0.25 0.00 0.00 175.52 176.16 2dly s THR 98 N -2.57 0.10 -0.61 6.82 -1.32 0.49 -5.05 115.64 113.50 2dly s THR 98 Ca -0.18 -0.81 -0.01 0.00 -1.21 0.00 0.00 61.69 59.48 2dly s THR 98 Cb 0.07 -1.17 0.45 0.00 -1.51 0.00 0.00 72.50 70.34 2dly s THR 98 CO 0.79 -0.45 1.90 -1.54 -2.21 0.00 0.00 174.62 173.12 2dly n SER 99 N 0.03 7.24 -4.36 8.08 3.41 -1.26 -4.20 113.62 122.55 2dly n SER 99 Ca -0.16 -3.78 -0.33 0.00 -0.26 0.00 0.00 58.87 54.34 2dly n SER 99 Cb 0.62 -0.88 -0.17 0.00 -0.26 0.00 0.00 64.21 63.52 2dly n SER 99 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2dly n ASP 100 N -0.89 -0.36 0.00 4.04 2.03 -1.26 0.67 116.55 120.77 2dly n ASP 100 Ca 0.60 -0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.82 2dly n ASP 100 Cb 0.72 -0.75 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 2dly n ASP 100 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dly n GLY 101 N 5.94 2.31 3.73 0.27 0.00 -1.26 -5.01 105.19 111.16 2dly n GLY 101 Ca 0.65 -0.51 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 2dly n GLY 101 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dly n LEU 102 N 0.00 5.37 -0.20 0.99 4.77 0.21 -4.90 117.00 123.24 2dly n LEU 102 Ca 0.00 0.95 0.01 0.00 -0.03 0.00 0.00 56.01 56.94 2dly n LEU 102 Cb 0.00 -1.56 0.26 0.00 -2.33 0.00 0.00 43.42 39.79 2dly n LEU 102 CO 0.00 -0.73 1.24 0.00 -1.33 0.00 0.00 177.39 176.56 2dly s VAL 104 N -5.83 0.19 0.03 0.00 0.11 -1.26 -5.08 120.40 108.55 2dly s VAL 104 Ca -0.11 -1.54 -0.20 0.00 -2.93 0.00 0.00 61.98 57.20 2dly s VAL 104 Cb 0.18 -1.29 -0.06 0.00 -1.53 0.00 0.00 36.38 33.68 2dly s VAL 104 CO 0.78 -0.85 0.60 -0.75 -3.33 0.00 0.00 175.10 171.55 2dly s LYS 105 N -3.51 4.29 -0.42 1.54 2.20 -1.26 -4.72 119.74 117.86 2dly s LYS 105 Ca 0.03 0.76 -0.28 0.00 -0.36 0.00 0.00 55.97 56.12 2dly s LYS 105 Cb 0.05 -3.30 -0.03 0.00 -1.51 0.00 0.00 37.83 33.04 2dly s LYS 105 CO -0.09 0.47 1.92 -0.51 -0.36 0.00 0.00 175.35 176.78 2dly s LEU 106 N -0.56 3.43 -0.04 5.43 1.43 -1.26 -4.75 118.68 122.36 2dly s LEU 106 Ca 0.31 1.03 -0.01 0.00 -1.03 0.00 0.00 54.13 54.43 2dly s LEU 106 Cb -0.19 -3.10 -0.00 0.00 0.03 0.00 0.00 46.19 42.92 2dly s LEU 106 CO 0.18 -2.06 -0.02 -0.33 0.23 0.00 0.00 176.35 174.35 2dly h GLU 107 N 14.43 0.00 -4.31 1.70 4.39 -1.88 -3.39 114.58 125.52 2dly h GLU 107 Ca -0.31 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.19 2dly h GLU 107 Cb 1.18 0.00 -0.19 0.00 -0.10 0.00 0.00 28.75 29.64 2dly h GLU 107 CO 1.10 0.00 -0.71 0.15 -1.16 0.00 0.00 179.01 178.39 2dly s LYS 108 N -1.26 0.50 0.45 2.33 -0.14 -1.26 -5.06 119.74 115.29 2dly s LYS 108 Ca -0.02 -0.84 -0.23 0.00 -1.36 0.00 0.00 55.97 53.52 2dly s LYS 108 Cb 0.00 -0.06 -0.08 0.00 -1.68 0.00 0.00 37.83 36.02 2dly s LYS 108 CO 0.02 -0.02 1.17 -1.25 -0.76 0.00 0.00 175.35 174.52 2dly s PRO 109 N -2.16 3.82 0.84 -1.68 0.04 -1.26 -2.38 135.00 132.23 2dly s PRO 109 Ca -0.07 1.80 -0.15 0.00 0.04 0.00 0.00 61.00 62.62 2dly s PRO 109 Cb -0.05 -2.47 -0.03 0.00 0.04 0.00 0.00 34.50 31.99 2dly s PRO 109 CO -0.02 -0.51 0.27 0.00 0.04 0.00 0.00 177.00 176.78 2dly s LEU 111 N 0.76 3.17 -0.17 0.00 1.43 -1.26 -4.71 118.68 117.90 2dly s LEU 111 Ca 0.58 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.47 2dly s LEU 111 Cb -0.28 -2.45 0.02 0.00 0.03 0.00 0.00 46.19 43.51 2dly s LEU 111 CO 0.66 -1.39 -0.19 -0.54 0.23 0.00 0.00 176.35 175.12 2dly s LYS 112 N -4.86 2.83 0.46 1.70 3.01 -1.26 -4.98 119.74 116.64 2dly s LYS 112 Ca 0.61 -0.77 -0.19 0.00 -1.01 0.00 0.00 55.97 54.61 2dly s LYS 112 Cb -0.08 -2.44 -0.09 0.00 -1.01 0.00 0.00 37.83 34.20 2dly s LYS 112 CO 0.40 -0.19 0.95 0.42 0.51 0.00 0.00 175.35 177.45 2dly s ILE 113 N 1.27 4.47 -0.17 2.17 1.09 -1.26 -5.02 121.20 123.75 2dly s ILE 113 Ca 0.03 1.33 -0.27 0.00 -1.10 0.00 0.00 60.65 60.64 2dly s ILE 113 Cb -0.13 -3.66 -0.01 0.00 -1.06 0.00 0.00 42.46 37.60 2dly s ILE 113 CO -0.11 -0.48 0.91 -1.58 -0.10 0.00 0.00 174.94 173.58 2dly s GLN 114 N -3.58 4.32 -0.05 2.79 2.00 -1.26 -5.03 119.66 118.85 2dly s GLN 114 Ca 0.60 1.17 -0.11 0.00 -2.00 0.00 0.00 55.36 55.02 2dly s GLN 114 Cb -0.09 -3.58 0.02 0.00 0.80 0.00 0.00 33.01 30.16 2dly s GLN 114 CO 0.22 -0.39 0.27 0.54 -0.50 0.00 0.00 175.29 175.42 2dly s VAL 115 N 2.34 0.04 0.02 1.34 0.11 -1.26 -5.17 120.40 117.82 2dly s VAL 115 Ca 0.42 -0.29 0.03 0.00 -2.93 0.00 0.00 61.98 59.20 2dly s VAL 115 Cb -0.17 -0.48 -0.01 0.00 -1.53 0.00 0.00 36.38 34.19 2dly s VAL 115 CO 0.12 -0.16 -0.09 -0.44 -3.33 0.00 0.00 175.10 171.20 2dly s SER 116 N -0.65 1.04 0.39 3.54 0.01 -1.26 -5.10 113.70 111.67 2dly s SER 116 Ca -0.07 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 56.85 2dly s SER 116 Cb -0.04 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.13 2dly s SER 116 CO 0.02 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.27 2dly n GLY 117 N 2.24 -1.43 0.22 3.44 0.00 -1.26 -4.05 105.19 104.35 2dly n GLY 117 Ca -0.17 -0.93 0.08 0.00 0.00 0.00 0.00 46.02 45.00 2dly n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dly h PRO 118 N 0.00 0.00 -5.52 1.61 0.13 -2.02 -3.47 132.00 122.73 2dly h PRO 118 Ca 0.02 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.84 2dly h PRO 118 Cb 0.90 0.00 0.17 0.00 0.13 0.00 0.00 31.00 32.20 2dly h PRO 118 CO 0.01 0.27 -0.76 0.43 -0.23 0.00 0.00 178.00 177.72 2dly n SER 119 N -3.57 -2.55 -3.73 1.44 7.64 -1.26 -5.02 113.62 106.57 2dly n SER 119 Ca -0.01 -0.61 -0.15 0.00 1.01 0.00 0.00 58.87 59.11 2dly n SER 119 Cb 0.41 -5.00 -0.15 0.00 -1.01 0.00 0.00 64.21 58.46 2dly n SER 119 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dly s SER 120 N -4.21 0.17 0.00 6.43 1.04 -1.26 -5.20 113.70 110.68 2dly s SER 120 Ca 0.05 0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.70 2dly s SER 120 Cb -0.01 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.22 2dly s SER 120 CO 0.71 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 175.37