#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dly s SER 2 N 0.00 4.77 -0.09 1.61 0.01 -1.26 -4.98 113.70 113.75 2dly s SER 2 Ca 0.00 -0.51 -0.06 0.00 1.31 0.00 0.00 55.95 56.70 2dly s SER 2 Cb 0.00 -0.98 -0.04 0.00 0.21 0.00 0.00 66.02 65.20 2dly s SER 2 CO 0.00 0.02 -0.14 -0.24 0.41 0.00 0.00 173.24 173.29 2dly n SER 3 N -0.71 0.86 -2.72 2.44 2.88 -1.26 -5.04 113.62 110.06 2dly n SER 3 Ca -0.08 0.14 0.01 0.00 -1.33 0.00 0.00 58.87 57.62 2dly n SER 3 Cb 0.58 -0.34 0.01 0.00 -0.75 0.00 0.00 64.21 63.71 2dly n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dly s GLY 4 N -5.06 -1.63 -0.17 0.46 0.00 -1.26 -4.90 107.32 94.77 2dly s GLY 4 Ca -0.14 1.28 -0.01 0.00 0.00 0.00 0.00 44.72 45.85 2dly s GLY 4 CO 0.18 4.37 -0.11 -0.56 0.00 0.00 0.00 173.10 176.98 2dly s SER 5 N 1.84 4.02 -0.08 1.64 0.01 -1.26 -5.10 113.70 114.77 2dly s SER 5 Ca 0.15 -0.38 -0.11 0.00 1.31 0.00 0.00 55.95 56.92 2dly s SER 5 Cb 0.05 -1.64 0.03 0.00 0.21 0.00 0.00 66.02 64.67 2dly s SER 5 CO -0.15 0.09 0.29 -0.44 0.41 0.00 0.00 173.24 173.44 2dly s SER 6 N 0.82 -0.26 0.00 2.44 0.01 -1.26 -3.33 113.70 112.12 2dly s SER 6 Ca -0.04 0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.63 2dly s SER 6 Cb -0.15 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.58 2dly s SER 6 CO 0.01 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.05 2dly n GLY 7 N 2.35 -0.01 3.22 3.44 0.00 -1.26 -4.96 105.19 107.97 2dly n GLY 7 Ca -0.16 0.46 -0.13 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 1.25 0.14 4.61 0.00 -1.26 -4.92 121.76 121.58 2dly s ALA 8 Ca 0.00 -1.50 -0.31 0.00 0.00 0.00 0.00 51.96 50.15 2dly s ALA 8 Cb 0.00 0.33 -0.09 0.00 0.00 0.00 0.00 23.12 23.37 2dly s ALA 8 CO 0.00 -0.25 1.52 1.49 0.00 0.00 0.00 175.76 178.52 2dly h GLU 9 N 2.79 -0.20 -4.85 0.00 4.22 -2.03 -3.25 114.58 111.26 2dly h GLU 9 Ca -0.36 0.01 -0.69 0.00 0.08 0.00 0.00 59.36 58.40 2dly h GLU 9 Cb 1.19 0.05 -0.19 0.00 0.50 0.00 0.00 28.75 30.30 2dly h GLU 9 CO 0.64 -0.14 0.38 -0.51 -2.18 0.00 0.00 179.01 177.20 2dly s ASP 10 N -5.17 6.34 0.51 1.04 1.01 -1.26 -4.89 116.67 114.25 2dly s ASP 10 Ca -0.13 -1.60 0.31 0.00 0.71 0.00 0.00 52.55 51.84 2dly s ASP 10 Cb 0.09 -2.34 1.43 0.00 1.01 0.00 0.00 42.92 43.11 2dly s ASP 10 CO 0.59 -1.12 1.83 0.03 0.21 0.00 0.00 175.17 176.71 2dly h ARG 11 N 9.05 0.09 -0.97 8.23 3.08 -2.00 0.19 114.38 132.05 2dly h ARG 11 Ca -0.15 -0.01 0.15 0.00 0.07 0.00 0.00 59.98 60.05 2dly h ARG 11 Cb 1.06 -0.02 -0.09 0.00 0.08 0.00 0.00 29.97 31.01 2dly h ARG 11 CO 1.09 0.06 0.61 0.66 -1.07 0.00 0.00 179.97 181.31 2dly h SER 12 N 0.09 0.77 -0.97 7.04 4.64 -1.91 0.77 113.55 123.98 2dly h SER 12 Ca 0.52 0.06 0.28 0.00 -0.47 0.00 0.00 61.79 62.18 2dly h SER 12 Cb 1.90 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 63.87 2dly h SER 12 CO -0.07 0.36 0.79 -0.07 -0.87 0.00 0.00 176.83 176.97 2dly h LEU 13 N 0.80 0.00 -1.91 5.97 3.38 -1.01 0.22 115.31 122.76 2dly h LEU 13 Ca 0.51 0.00 0.28 0.00 0.09 0.00 0.00 57.88 58.76 2dly h LEU 13 Cb 0.73 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.44 2dly h LEU 13 CO -0.28 0.00 0.70 1.56 0.09 0.00 0.00 178.44 180.51 2dly h GLN 14 N 0.00 0.06 0.00 1.13 4.20 -1.00 0.48 115.11 119.98 2dly h GLN 14 Ca 0.46 -0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.97 2dly h GLN 14 Cb 2.04 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.80 2dly h GLN 14 CO -0.00 0.04 -0.88 0.00 -0.67 0.00 0.00 178.83 177.31 2dly h ALA 15 N 1.52 0.51 -2.12 3.87 0.00 -0.74 -3.45 119.26 118.84 2dly h ALA 15 Ca 0.48 -0.73 -0.61 0.00 0.00 0.00 0.00 54.91 54.06 2dly h ALA 15 Cb 1.81 -0.07 0.06 0.00 0.00 0.00 0.00 17.79 19.59 2dly h ALA 15 CO -0.04 0.92 0.64 0.39 0.00 0.00 0.00 179.25 181.15 2dly n GLU 16 N -3.66 1.83 -0.04 0.00 -0.58 0.17 -4.91 120.64 113.45 2dly n GLU 16 Ca -0.04 0.66 -0.13 0.00 -0.42 0.00 0.00 57.16 57.23 2dly n GLU 16 Cb 0.81 -2.35 -0.08 0.00 -0.57 0.00 0.00 31.44 29.25 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 5.00 0.27 0.00 3.49 0.13 -1.88 -2.95 132.00 136.07 2dly h PRO 17 Ca -0.45 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 2dly h PRO 17 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2dly h PRO 17 CO 0.82 0.68 0.00 -2.67 -0.23 0.00 0.00 178.00 176.60 2dly n TRP 18 N -4.63 0.42 -3.22 1.56 4.27 -1.26 -4.60 117.44 109.98 2dly n TRP 18 Ca -0.07 0.19 -0.39 0.00 -3.89 0.00 0.00 57.50 53.34 2dly n TRP 18 Cb 0.33 -0.80 -0.06 0.00 -1.36 0.00 0.00 31.31 29.42 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 -3.22 3.50 -0.43 -2.67 5.36 -1.12 0.58 117.98 119.98 2dly s PHE 19 Ca 0.03 0.97 0.10 0.00 -0.96 0.00 0.00 56.93 57.07 2dly s PHE 19 Cb 0.07 -2.65 0.38 0.00 -0.34 0.00 0.00 43.02 40.47 2dly s PHE 19 CO 0.24 0.08 0.90 1.19 -1.46 0.00 0.00 175.22 176.17 2dly n PHE 20 N 3.96 1.98 0.00 10.12 3.01 -0.70 -4.86 117.46 130.97 2dly n PHE 20 Ca -0.05 -3.55 0.00 0.00 1.01 0.00 0.00 57.45 54.86 2dly n PHE 20 Cb 0.51 -0.38 0.00 0.00 -0.01 0.00 0.00 39.48 39.60 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 -0.06 1.57 3.06 1.37 0.00 -1.26 -3.73 105.19 106.14 2dly n GLY 21 Ca 0.26 0.16 -0.32 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.70 2.69 0.37 4.61 0.00 -1.21 0.71 121.76 128.23 2dly s ALA 22 Ca 0.00 -2.00 0.04 0.00 0.00 0.00 0.00 51.96 49.99 2dly s ALA 22 Cb 0.00 -1.73 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 2dly s ALA 22 CO 0.00 -1.36 0.11 0.96 0.00 0.00 0.00 175.76 175.47 2dly s ILE 23 N 1.05 0.75 0.21 0.00 -4.36 -1.24 -4.65 121.20 112.95 2dly s ILE 23 Ca -0.03 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.41 2dly s ILE 23 Cb -0.20 -2.49 -0.03 0.00 1.25 0.00 0.00 42.46 40.99 2dly s ILE 23 CO -0.06 0.00 0.27 -0.54 0.24 0.00 0.00 174.94 174.85 2dly s LYS 24 N -3.79 3.24 0.45 0.37 1.02 -1.26 -4.54 119.74 115.22 2dly s LYS 24 Ca 0.28 -0.80 0.26 0.00 0.02 0.00 0.00 55.97 55.73 2dly s LYS 24 Cb 0.05 -2.80 1.30 0.00 -0.52 0.00 0.00 37.83 35.86 2dly s LYS 24 CO 0.15 0.46 1.74 0.07 -0.92 0.00 0.00 175.35 176.85 2dly h ARG 25 N 1.69 0.21 0.25 1.68 0.11 -2.00 0.83 114.38 117.15 2dly h ARG 25 Ca -0.50 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 59.56 2dly h ARG 25 Cb 1.22 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.25 2dly h ARG 25 CO 0.63 0.14 -0.12 0.00 0.10 0.00 0.00 179.97 180.73 2dly h ALA 26 N 1.55 -0.33 -0.61 0.08 0.00 -1.99 0.26 119.26 118.22 2dly h ALA 26 Ca 0.64 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.42 2dly h ALA 26 Cb 1.98 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.87 2dly h ALA 26 CO -0.24 -0.62 0.33 0.22 0.00 0.00 0.00 179.25 178.94 2dly h ASP 27 N -0.47 0.77 -0.46 0.00 3.58 -1.29 -1.99 116.42 116.57 2dly h ASP 27 Ca -0.03 -0.10 -0.05 0.00 0.42 0.00 0.00 57.03 57.27 2dly h ASP 27 Cb 0.35 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 2dly h ASP 27 CO 0.06 0.64 0.08 0.00 -2.88 0.00 0.00 179.24 177.14 2dly h ALA 28 N 1.16 0.60 0.34 -0.78 0.00 -1.08 -3.12 119.26 116.39 2dly h ALA 28 Ca 0.22 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2dly h ALA 28 Cb 0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2dly h ALA 28 CO -0.03 0.32 -0.21 0.93 0.00 0.00 0.00 179.25 180.25 2dly h GLU 29 N 0.61 -0.50 -1.47 0.00 5.08 -0.22 -1.93 114.58 116.16 2dly h GLU 29 Ca 0.14 0.03 0.47 0.00 -1.00 0.00 0.00 59.36 59.00 2dly h GLU 29 Cb 0.37 0.11 -0.11 0.00 0.50 0.00 0.00 28.75 29.62 2dly h GLU 29 CO 0.01 -0.33 0.99 1.63 -1.00 0.00 0.00 179.01 180.31 2dly n LYS 30 N -3.59 -0.02 -0.03 2.33 5.02 -0.77 0.23 118.16 121.33 2dly n LYS 30 Ca -0.06 1.09 -0.17 0.00 -2.02 0.00 0.00 58.31 57.16 2dly n LYS 30 Cb 0.22 -2.28 -0.08 0.00 -0.02 0.00 0.00 35.03 32.87 2dly n LYS 30 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 2dly h GLN 31 N 0.00 0.67 0.02 1.97 1.08 -1.36 -2.92 115.11 114.57 2dly h GLN 31 Ca 0.83 -0.54 -0.00 0.00 -1.45 0.00 0.00 58.65 57.49 2dly h GLN 31 Cb 2.92 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 30.46 2dly h GLN 31 CO -0.28 1.15 -0.01 -0.07 -0.95 0.00 0.00 178.83 178.68 2dly h LEU 32 N 0.35 -0.02 -1.67 1.46 3.38 0.37 -3.09 115.31 116.08 2dly h LEU 32 Ca -0.04 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.30 2dly h LEU 32 Cb 1.27 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2dly h LEU 32 CO 0.13 0.64 0.14 -0.07 0.09 0.00 0.00 178.44 179.37 2dly h LEU 33 N -0.69 0.00 -9.24 1.67 -0.00 -0.60 -3.44 115.31 103.00 2dly h LEU 33 Ca -0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 57.88 57.38 2dly h LEU 33 Cb 0.65 0.00 0.25 0.00 -0.00 0.00 0.00 40.66 41.56 2dly h LEU 33 CO 0.00 0.00 -1.93 0.00 -0.00 0.00 0.00 178.44 176.51 2dly n TYR 34 N -2.47 -2.19 -0.01 1.13 9.36 -1.10 -4.96 117.16 116.92 2dly n TYR 34 Ca -0.02 0.35 -0.00 0.00 3.32 0.00 0.00 57.90 61.55 2dly n TYR 34 Cb 0.18 -1.48 -0.00 0.00 -0.63 0.00 0.00 39.34 37.41 2dly n TYR 34 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 2dly h SER 35 N -1.32 0.00 -0.82 2.98 0.87 -1.89 -3.35 113.55 110.02 2dly h SER 35 Ca -0.44 0.00 0.32 0.00 -1.23 0.00 0.00 61.79 60.44 2dly h SER 35 Cb 1.36 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 63.19 2dly h SER 35 CO 0.27 0.14 0.48 -0.62 -0.53 0.00 0.00 176.83 176.56 2dly n GLU 36 N -2.72 -0.04 -2.79 2.24 1.02 -1.26 -4.17 120.64 112.92 2dly n GLU 36 Ca -0.00 0.99 -0.40 0.00 -0.02 0.00 0.00 57.16 57.73 2dly n GLU 36 Cb 0.01 -1.82 -0.06 0.00 -0.02 0.00 0.00 31.44 29.55 2dly n GLU 36 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2dly s ASN 37 N -4.56 7.57 0.39 1.62 0.01 -1.26 -5.06 114.94 113.65 2dly s ASN 37 Ca -0.06 1.89 0.04 0.00 -0.71 0.00 0.00 52.86 54.01 2dly s ASN 37 Cb 0.24 -2.59 -0.03 0.00 0.41 0.00 0.00 41.25 39.28 2dly s ASN 37 CO 0.58 0.14 0.13 -1.10 -1.51 0.00 0.00 177.10 175.34 2dly s GLN 38 N -1.27 1.86 -0.49 -0.60 -0.21 -1.26 -4.79 119.66 112.89 2dly s GLN 38 Ca 0.41 -2.11 -0.44 0.00 0.02 0.00 0.00 55.36 53.24 2dly s GLN 38 Cb -0.25 -0.57 -0.19 0.00 1.00 0.00 0.00 33.01 33.00 2dly s GLN 38 CO 0.30 -0.44 1.91 2.41 -2.12 0.00 0.00 175.29 177.35 2dly n THR 39 N -0.84 0.00 0.00 -0.19 -1.04 -1.26 -1.42 114.28 109.53 2dly n THR 39 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 2dly n THR 39 Cb 0.65 -0.49 0.00 0.00 -1.82 0.00 0.00 70.33 68.67 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 6.16 2.50 3.71 3.41 0.00 0.14 -4.85 105.19 116.25 2dly n GLY 40 Ca 0.46 -0.50 -0.59 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.30 -2.41 4.61 0.00 -0.51 -3.62 120.51 118.29 2dly n ALA 41 Ca 0.00 0.39 -0.21 0.00 0.00 0.00 0.00 53.44 53.62 2dly n ALA 41 Cb 0.00 -2.19 -0.10 0.00 0.00 0.00 0.00 19.45 17.16 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 3.63 1.90 -0.29 0.00 -0.71 -1.10 0.11 117.98 121.52 2dly s PHE 42 Ca 1.00 -0.48 -0.15 0.00 -1.04 0.00 0.00 56.93 56.26 2dly s PHE 42 Cb -1.13 -0.88 0.11 0.00 -1.21 0.00 0.00 43.02 39.91 2dly s PHE 42 CO 0.68 0.45 0.78 -0.48 -1.34 0.00 0.00 175.22 175.30 2dly s LEU 43 N -3.18 -0.86 -0.13 -1.99 0.05 0.02 -0.72 118.68 111.88 2dly s LEU 43 Ca 0.23 1.30 -0.08 0.00 0.05 0.00 0.00 54.13 55.62 2dly s LEU 43 Cb -0.03 2.15 -0.04 0.00 -2.05 0.00 0.00 46.19 46.21 2dly s LEU 43 CO 0.09 -0.20 0.17 -0.63 -0.55 0.00 0.00 176.35 175.23 2dly s ILE 44 N 1.94 5.44 0.24 1.48 1.09 0.20 -0.85 121.20 130.74 2dly s ILE 44 Ca -0.08 0.27 0.03 0.00 -1.10 0.00 0.00 60.65 59.77 2dly s ILE 44 Cb -0.06 -3.45 -0.05 0.00 -1.06 0.00 0.00 42.46 37.84 2dly s ILE 44 CO -0.18 0.57 0.02 0.00 -0.10 0.00 0.00 174.94 175.25 2dly s ARG 45 N -0.72 1.36 -0.33 2.79 1.70 -0.69 -1.72 118.95 121.34 2dly s ARG 45 Ca 0.15 -1.70 -0.20 0.00 -0.47 0.00 0.00 55.73 53.50 2dly s ARG 45 Cb -0.12 -0.55 -0.00 0.00 -0.57 0.00 0.00 34.95 33.70 2dly s ARG 45 CO 0.04 -0.14 0.62 -1.21 -1.08 0.00 0.00 175.30 173.53 2dly s GLU 46 N -3.90 3.79 0.15 3.89 2.02 0.22 -0.97 118.70 123.91 2dly s GLU 46 Ca 0.30 0.16 -0.23 0.00 0.02 0.00 0.00 54.97 55.22 2dly s GLU 46 Cb 0.06 -3.77 -0.14 0.00 0.10 0.00 0.00 34.13 30.39 2dly s GLU 46 CO 0.10 -0.64 0.45 0.45 0.02 0.00 0.00 175.26 175.63 2dly n SER 47 N 5.94 -0.96 -0.04 -0.19 2.88 0.71 -3.97 113.62 117.98 2dly n SER 47 Ca -0.01 0.92 -0.20 0.00 -1.33 0.00 0.00 58.87 58.25 2dly n SER 47 Cb 0.49 -0.77 -0.13 0.00 -0.75 0.00 0.00 64.21 63.04 2dly n SER 47 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2dly h GLU 48 N 0.91 0.13 -0.24 -1.46 4.81 -1.90 -3.38 114.58 113.44 2dly h GLU 48 Ca -0.24 -0.22 -0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2dly h GLU 48 Cb 1.17 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 2dly h GLU 48 CO 0.47 1.10 0.15 1.03 -0.73 0.00 0.00 179.01 181.03 2dly h SER 49 N -0.62 0.29 -4.03 1.04 0.87 -1.97 -3.43 113.55 105.69 2dly h SER 49 Ca -0.27 -0.04 -0.69 0.00 -1.23 0.00 0.00 61.79 59.55 2dly h SER 49 Cb 1.50 -0.07 -0.23 0.00 -0.44 0.00 0.00 62.40 63.16 2dly h SER 49 CO -0.04 0.25 -0.87 -1.58 -0.53 0.00 0.00 176.83 174.06 2dly s GLN 50 N -6.04 1.57 0.22 2.24 2.00 -1.26 -5.13 119.66 113.26 2dly s GLN 50 Ca -0.13 -1.25 -0.13 0.00 -2.00 0.00 0.00 55.36 51.84 2dly s GLN 50 Cb 0.09 -1.95 -0.08 0.00 0.80 0.00 0.00 33.01 31.87 2dly s GLN 50 CO 0.70 0.48 0.61 0.21 -0.50 0.00 0.00 175.29 176.78 2dly s LYS 51 N -1.77 3.95 0.00 1.67 2.47 -1.26 -4.17 119.74 120.63 2dly s LYS 51 Ca 0.13 0.49 0.00 0.00 -1.56 0.00 0.00 55.97 55.04 2dly s LYS 51 Cb -0.10 -2.72 0.00 0.00 -1.46 0.00 0.00 37.83 33.54 2dly s LYS 51 CO 0.05 0.35 0.00 0.41 0.16 0.00 0.00 175.35 176.32 2dly n GLY 52 N 0.23 2.47 3.70 5.54 0.00 -1.26 -5.01 105.19 110.85 2dly n GLY 52 Ca -0.01 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.12 2dly n GLY 52 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dly n ASP 53 N 2.19 1.38 -4.32 1.61 9.92 -1.26 -4.84 116.55 121.23 2dly n ASP 53 Ca 0.00 0.70 -0.17 0.00 -0.53 0.00 0.00 54.79 54.79 2dly n ASP 53 Cb 0.00 -1.51 -0.10 0.00 -0.64 0.00 0.00 41.12 38.86 2dly n ASP 53 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2dly s PHE 54 N -1.78 1.54 -0.05 1.24 0.40 -1.23 -0.21 117.98 117.89 2dly s PHE 54 Ca 0.77 -0.81 -0.01 0.00 -0.60 0.00 0.00 56.93 56.29 2dly s PHE 54 Cb -0.34 -0.84 0.03 0.00 0.51 0.00 0.00 43.02 42.38 2dly s PHE 54 CO 0.46 0.08 0.01 -1.54 0.70 0.00 0.00 175.22 174.93 2dly s SER 55 N -3.28 1.02 -0.54 1.36 1.04 -0.14 -1.05 113.70 112.10 2dly s SER 55 Ca 0.24 -0.04 -0.20 0.00 0.48 0.00 0.00 55.95 56.44 2dly s SER 55 Cb 0.04 -0.30 0.07 0.00 0.10 0.00 0.00 66.02 65.92 2dly s SER 55 CO 0.06 -0.16 0.69 -0.22 0.98 0.00 0.00 173.24 174.60 2dly s LEU 56 N 1.56 4.92 -0.43 2.42 2.96 -0.45 -1.70 118.68 127.97 2dly s LEU 56 Ca -0.02 -0.96 -0.18 0.00 -0.22 0.00 0.00 54.13 52.75 2dly s LEU 56 Cb -0.13 -2.46 0.02 0.00 0.50 0.00 0.00 46.19 44.13 2dly s LEU 56 CO -0.03 -1.00 0.46 -0.44 -1.32 0.00 0.00 176.35 174.02 2dly s SER 57 N 2.95 6.21 0.07 3.68 0.01 -0.03 -1.85 113.70 124.73 2dly s SER 57 Ca 0.16 -0.67 0.06 0.00 1.31 0.00 0.00 55.95 56.82 2dly s SER 57 Cb -0.19 -2.23 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 2dly s SER 57 CO 0.11 -0.61 -0.10 -0.69 0.41 0.00 0.00 173.24 172.36 2dly s VAL 58 N 2.20 3.35 -0.17 3.43 1.01 -1.10 -0.80 120.40 128.32 2dly s VAL 58 Ca 0.13 -1.13 -0.11 0.00 0.00 0.00 0.00 61.98 60.86 2dly s VAL 58 Cb -0.17 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 2dly s VAL 58 CO 0.14 0.22 0.19 -0.22 0.00 0.00 0.00 175.10 175.43 2dly s LEU 59 N -1.89 4.25 -0.47 3.92 2.96 0.12 -0.85 118.68 126.71 2dly s LEU 59 Ca 0.19 0.37 0.04 0.00 -0.22 0.00 0.00 54.13 54.52 2dly s LEU 59 Cb -0.11 -2.20 0.17 0.00 0.50 0.00 0.00 46.19 44.55 2dly s LEU 59 CO 0.11 0.19 0.36 -0.62 -1.32 0.00 0.00 176.35 175.07 2dly s ASP 60 N 0.18 2.36 -0.38 3.68 2.15 0.10 0.24 116.67 124.99 2dly s ASP 60 Ca 0.12 -3.17 -0.02 0.00 0.43 0.00 0.00 52.55 49.90 2dly s ASP 60 Cb -0.12 -0.73 0.00 0.00 -0.30 0.00 0.00 42.92 41.78 2dly s ASP 60 CO 0.01 -0.16 0.34 -0.62 -0.17 0.00 0.00 175.17 174.56 2dly n GLU 61 N 2.75 -2.26 -0.12 4.34 1.02 -1.26 -3.17 120.64 121.94 2dly n GLU 61 Ca 0.26 0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 2dly n GLU 61 Cb 0.44 -3.47 0.00 0.00 -0.02 0.00 0.00 31.44 28.39 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 -0.94 1.44 3.86 0.62 0.00 -1.26 -5.03 105.19 103.87 2dly n GLY 62 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.67 5.23 -0.37 1.61 0.11 -1.19 -4.83 120.40 118.30 2dly s VAL 63 Ca 0.00 0.48 -0.09 0.00 -2.93 0.00 0.00 61.98 59.44 2dly s VAL 63 Cb 0.00 -3.58 0.04 0.00 -1.53 0.00 0.00 36.38 31.30 2dly s VAL 63 CO 0.00 0.52 0.18 -0.69 -3.33 0.00 0.00 175.10 171.78 2dly s VAL 64 N -1.14 4.31 -0.44 2.04 1.01 -1.26 0.01 120.40 124.93 2dly s VAL 64 Ca 0.23 -1.00 -0.21 0.00 0.00 0.00 0.00 61.98 61.00 2dly s VAL 64 Cb -0.14 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 32.82 2dly s VAL 64 CO 0.11 -0.25 0.68 -0.54 0.00 0.00 0.00 175.10 175.10 2dly s LYS 65 N 1.50 3.31 -0.44 2.72 3.01 -0.03 -4.92 119.74 124.89 2dly s LYS 65 Ca 0.01 -0.31 -0.26 0.00 -1.01 0.00 0.00 55.97 54.39 2dly s LYS 65 Cb -0.20 -3.95 0.02 0.00 -1.01 0.00 0.00 37.83 32.70 2dly s LYS 65 CO 0.05 -1.04 0.96 -1.01 0.51 0.00 0.00 175.35 174.82 2dly s HIS 66 N 2.93 2.94 -0.37 3.18 3.76 -1.26 -2.72 115.29 123.76 2dly s HIS 66 Ca 0.24 0.53 -0.09 0.00 -0.15 0.00 0.00 55.06 55.59 2dly s HIS 66 Cb -0.14 -3.97 0.04 0.00 1.11 0.00 0.00 32.58 29.62 2dly s HIS 66 CO 0.20 -1.06 0.17 0.71 -0.85 0.00 0.00 174.74 173.91 2dly s TYR 67 N 3.80 3.26 -0.20 1.40 2.02 -0.77 -4.97 117.35 121.89 2dly s TYR 67 Ca 0.39 -1.19 -0.29 0.00 -0.37 0.00 0.00 57.07 55.61 2dly s TYR 67 Cb -0.10 -2.42 -0.04 0.00 -0.40 0.00 0.00 41.96 39.00 2dly s TYR 67 CO 0.25 -0.70 1.91 0.50 -1.57 0.00 0.00 175.55 175.95 2dly s ARG 68 N 1.48 3.54 -0.64 -0.62 6.06 -1.26 -1.34 118.95 126.17 2dly s ARG 68 Ca 0.01 1.90 -0.23 0.00 -2.50 0.00 0.00 55.73 54.90 2dly s ARG 68 Cb -0.20 -4.20 0.06 0.00 0.06 0.00 0.00 34.95 30.68 2dly s ARG 68 CO 0.05 -1.62 0.97 0.42 -2.50 0.00 0.00 175.30 172.62 2dly s ILE 69 N 6.44 4.31 0.55 4.11 1.01 -0.22 -4.75 121.20 132.65 2dly s ILE 69 Ca 0.86 -0.21 -0.08 0.00 0.00 0.00 0.00 60.65 61.21 2dly s ILE 69 Cb -0.30 -4.66 -0.04 0.00 0.01 0.00 0.00 42.46 37.47 2dly s ILE 69 CO 0.34 -1.40 0.91 -0.13 0.00 0.00 0.00 174.94 174.66 2dly s ARG 70 N 4.10 3.59 0.11 2.79 0.52 -1.03 -3.51 118.95 125.52 2dly s ARG 70 Ca 0.24 0.50 0.07 0.00 -0.52 0.00 0.00 55.73 56.02 2dly s ARG 70 Cb -0.16 -2.22 -0.04 0.00 0.52 0.00 0.00 34.95 33.06 2dly s ARG 70 CO 0.12 -0.39 -0.17 1.03 0.02 0.00 0.00 175.30 175.91 2dly s ARG 71 N -4.92 1.05 0.34 3.54 0.52 -1.26 -1.04 118.95 117.18 2dly s ARG 71 Ca 0.52 -1.16 0.05 0.00 -0.52 0.00 0.00 55.73 54.61 2dly s ARG 71 Cb -0.11 -1.13 0.05 0.00 0.52 0.00 0.00 34.95 34.28 2dly s ARG 71 CO 0.49 0.25 0.40 1.28 0.02 0.00 0.00 175.30 177.73 2dly n LEU 72 N 0.89 0.00 -0.01 2.53 7.99 -0.85 -5.01 117.00 122.55 2dly n LEU 72 Ca -0.18 -1.59 0.08 0.00 -0.01 0.00 0.00 56.01 54.31 2dly n LEU 72 Cb 0.55 -0.17 -0.12 0.00 -0.11 0.00 0.00 43.42 43.57 2dly n LEU 72 CO 0.24 -0.56 -0.49 -0.90 -1.51 0.00 0.00 177.39 174.16 2dly n ASP 73 N -2.34 1.01 -0.03 -1.43 5.68 -1.26 -4.56 116.55 113.62 2dly n ASP 73 Ca 0.06 -0.28 -0.03 0.00 -0.50 0.00 0.00 54.79 54.04 2dly n ASP 73 Cb 0.37 1.53 -0.06 0.00 -1.14 0.00 0.00 41.12 41.82 2dly n ASP 73 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2dly n GLU 74 N -1.87 2.58 0.00 0.11 -0.00 -1.26 -5.01 120.64 115.19 2dly n GLU 74 Ca -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 57.16 57.14 2dly n GLU 74 Cb 0.38 -1.19 0.00 0.00 -0.00 0.00 0.00 31.44 30.63 2dly n GLU 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2dly n GLY 75 N 2.50 0.38 0.00 -1.84 0.00 -1.26 -5.14 105.19 99.83 2dly n GLY 75 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.44 3.33 -0.02 0.00 -1.17 -4.84 105.19 107.04 2dly n GLY 76 Ca 0.00 0.41 -0.28 0.00 0.00 0.00 0.00 46.02 46.15 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 0.38 2.11 -0.27 1.61 0.08 -1.10 -2.01 117.98 118.78 2dly s PHE 77 Ca 0.00 -0.40 -0.15 0.00 0.12 0.00 0.00 56.93 56.51 2dly s PHE 77 Cb 0.00 -1.20 0.08 0.00 -0.57 0.00 0.00 43.02 41.33 2dly s PHE 77 CO 0.00 0.21 0.66 -0.59 -0.10 0.00 0.00 175.22 175.40 2dly s PHE 78 N -0.97 -1.03 -0.23 0.36 -0.71 -0.20 -0.24 117.98 114.96 2dly s PHE 78 Ca 0.11 2.05 0.21 0.00 -1.04 0.00 0.00 56.93 58.26 2dly s PHE 78 Cb -0.10 0.61 0.03 0.00 -1.21 0.00 0.00 43.02 42.35 2dly s PHE 78 CO 0.04 -0.52 1.12 1.25 -1.34 0.00 0.00 175.22 175.77 2dly h LEU 79 N 7.06 0.00 -7.13 -1.99 5.85 -1.83 -2.73 115.31 114.54 2dly h LEU 79 Ca -0.30 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.21 2dly h LEU 79 Cb 1.22 0.00 -0.32 0.00 0.37 0.00 0.00 40.66 41.93 2dly h LEU 79 CO 0.17 0.18 -0.52 0.28 -0.34 0.00 0.00 178.44 178.21 2dly s THR 80 N -3.20 -0.44 0.27 1.05 -1.32 -1.26 -4.89 115.64 105.86 2dly s THR 80 Ca 0.01 0.22 0.16 0.00 -1.21 0.00 0.00 61.69 60.87 2dly s THR 80 Cb 0.08 -0.50 0.27 0.00 -1.51 0.00 0.00 72.50 70.85 2dly s THR 80 CO 0.77 0.08 1.14 -1.14 -2.21 0.00 0.00 174.62 173.26 2dly n ARG 81 N 5.35 -0.04 -0.25 7.08 3.00 -1.26 0.10 116.66 130.65 2dly n ARG 81 Ca -0.06 0.98 0.00 0.00 -0.00 0.00 0.00 57.85 58.77 2dly n ARG 81 Cb 0.50 -1.79 0.07 0.00 0.00 0.00 0.00 32.46 31.24 2dly n ARG 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2dly h ARG 82 N 0.00 -0.02 -6.35 -0.14 3.08 -2.00 -3.41 114.38 105.54 2dly h ARG 82 Ca 0.62 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 60.07 2dly h ARG 82 Cb 1.68 0.01 -0.21 0.00 0.08 0.00 0.00 29.97 31.53 2dly h ARG 82 CO -0.53 -0.02 -0.83 0.21 -1.07 0.00 0.00 179.97 177.74 2dly s LYS 83 N -6.20 1.24 -0.00 0.04 2.47 0.29 -5.15 119.74 112.43 2dly s LYS 83 Ca -0.14 -1.26 -0.02 0.00 -1.56 0.00 0.00 55.97 52.98 2dly s LYS 83 Cb 0.20 -1.54 -0.00 0.00 -1.46 0.00 0.00 37.83 35.03 2dly s LYS 83 CO 0.74 0.35 0.03 0.08 0.16 0.00 0.00 175.35 176.71 2dly s VAL 84 N -1.28 0.05 0.27 4.02 1.01 -1.26 -4.05 120.40 119.15 2dly s VAL 84 Ca 0.10 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.69 2dly s VAL 84 Cb -0.09 -0.18 0.00 0.00 0.00 0.00 0.00 36.38 36.11 2dly s VAL 84 CO 0.05 -0.22 0.02 0.49 0.00 0.00 0.00 175.10 175.44 2dly n PHE 85 N 2.35 0.47 -0.08 5.22 3.72 0.67 -5.01 117.46 124.80 2dly n PHE 85 Ca -0.18 -1.31 -0.17 0.00 -0.05 0.00 0.00 57.45 55.74 2dly n PHE 85 Cb 0.58 -0.18 -0.06 0.00 -0.94 0.00 0.00 39.48 38.88 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 -1.23 1.25 -4.26 4.37 7.64 -1.26 -2.70 113.62 117.43 2dly n SER 86 Ca -0.10 0.21 -0.18 0.00 1.01 0.00 0.00 58.87 59.81 2dly n SER 86 Cb 0.34 -0.51 -0.11 0.00 -1.01 0.00 0.00 64.21 62.91 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 -2.34 1.40 0.60 0.44 -4.23 -1.26 -3.89 115.64 106.37 2dly s THR 87 Ca -0.23 -1.78 0.28 0.00 -1.18 0.00 0.00 61.69 58.78 2dly s THR 87 Cb 0.08 -1.61 0.39 0.00 1.34 0.00 0.00 72.50 72.71 2dly s THR 87 CO 0.30 -0.42 1.59 -0.07 -0.54 0.00 0.00 174.62 175.47 2dly h LEU 88 N 3.41 0.00 0.35 4.79 3.38 -1.97 -1.07 115.31 124.21 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 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2dly h LEU 88 CO 0.52 0.00 -0.17 -1.13 0.09 0.00 0.00 178.44 177.75 2dly h ASN 89 N 0.00 -0.40 0.08 -0.43 -0.73 -2.00 -2.77 115.58 109.33 2dly h ASN 89 Ca 0.37 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.55 2dly h ASN 89 Cb 2.12 0.10 0.00 0.00 0.27 0.00 0.00 38.32 40.81 2dly h ASN 89 CO -0.00 -0.25 0.00 -0.33 -0.37 0.00 0.00 177.43 176.48 2dly h GLU 90 N -0.55 0.00 -0.32 6.67 5.08 -1.64 -0.08 114.58 123.73 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 0.36 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 2dly h GLU 90 CO 0.08 0.00 -0.46 0.35 -1.00 0.00 0.00 179.01 177.98 2dly h PHE 91 N 0.00 1.08 0.04 4.33 3.04 -1.13 -3.01 116.94 121.29 2dly h PHE 91 Ca 0.00 -0.36 -0.33 0.00 3.98 0.00 0.00 57.97 61.26 2dly h PHE 91 Cb 0.04 -0.21 -0.04 0.00 2.56 0.00 0.00 35.95 38.29 2dly h PHE 91 CO 0.00 1.18 -1.96 0.28 -2.02 0.00 0.00 178.31 175.80 2dly n VAL 92 N -4.06 1.62 0.24 1.41 0.31 -0.66 -3.78 118.33 113.41 2dly n VAL 92 Ca -0.04 -0.75 0.16 0.00 -0.01 0.00 0.00 64.34 63.70 2dly n VAL 92 Cb 0.58 -1.19 0.85 0.00 -0.91 0.00 0.00 33.84 33.17 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 0.00 0.00 4.52 2.35 -1.14 -1.10 115.58 120.23 2dly h ASN 93 Ca -0.39 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.36 2dly h ASN 93 Cb 2.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.42 2dly h ASN 93 CO 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.84 2dly n TYR 94 N -3.90 0.00 -0.32 1.19 9.36 -1.14 -4.30 117.16 118.06 2dly n TYR 94 Ca -0.01 0.00 0.09 0.00 3.32 0.00 0.00 57.90 61.31 2dly n TYR 94 Cb 0.21 -0.39 0.20 0.00 -0.63 0.00 0.00 39.34 38.74 2dly n TYR 94 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 2dly h TYR 95 N 0.00 -0.18 -1.06 2.98 0.05 -1.65 0.27 116.97 117.38 2dly h TYR 95 Ca 0.00 0.07 0.35 0.00 0.05 0.00 0.00 58.73 59.20 2dly h TYR 95 Cb 0.00 0.23 -0.09 0.00 1.01 0.00 0.00 36.73 37.88 2dly h TYR 95 CO 0.00 -0.37 0.70 0.25 -1.05 0.00 0.00 178.16 177.70 2dly n THR 96 N -5.48 -0.14 -0.04 -2.88 -2.24 -0.42 0.19 114.28 103.27 2dly n THR 96 Ca 0.18 1.23 -0.14 0.00 -2.27 0.00 0.00 64.05 63.05 2dly n THR 96 Cb 0.59 -2.02 -0.11 0.00 -2.10 0.00 0.00 70.33 66.69 2dly n THR 96 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2dly h THR 97 N 0.00 1.58 -3.94 4.28 1.35 -0.65 -3.42 112.91 112.11 2dly h THR 97 Ca 0.63 -1.75 -0.11 0.00 -0.55 0.00 0.00 66.41 64.63 2dly h THR 97 Cb 2.14 2.76 -0.15 0.00 -1.73 0.00 0.00 68.15 71.17 2dly h THR 97 CO -0.26 0.46 -0.51 0.28 -0.25 0.00 0.00 175.52 175.24 2dly s THR 98 N -3.26 0.16 -0.73 6.82 -1.32 0.51 -5.03 115.64 112.80 2dly s THR 98 Ca -0.17 -1.35 -0.01 0.00 -1.21 0.00 0.00 61.69 58.95 2dly s THR 98 Cb -0.00 -1.26 0.40 0.00 -1.51 0.00 0.00 72.50 70.13 2dly s THR 98 CO 0.69 -0.74 1.96 -1.54 -2.21 0.00 0.00 174.62 172.78 2dly n SER 99 N 0.24 7.41 -4.51 8.08 3.41 -1.26 -4.28 113.62 122.71 2dly n SER 99 Ca -0.16 -3.81 -0.33 0.00 -0.26 0.00 0.00 58.87 54.32 2dly n SER 99 Cb 0.61 -0.97 -0.17 0.00 -0.26 0.00 0.00 64.21 63.42 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 -0.72 -0.16 0.00 4.04 2.03 -1.26 -0.30 116.55 120.17 2dly n ASP 100 Ca 0.57 -0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.68 2dly n ASP 100 Cb 0.48 -0.85 0.00 0.00 -0.72 0.00 0.00 41.12 40.03 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 6.12 2.31 3.60 0.27 0.00 -1.26 -5.01 105.19 111.22 2dly n GLY 101 Ca 0.64 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 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 3.03 -0.18 0.99 4.77 0.58 -4.87 117.00 121.32 2dly n LEU 102 Ca 0.00 0.87 0.03 0.00 -0.03 0.00 0.00 56.01 56.89 2dly n LEU 102 Cb 0.00 -1.36 0.31 0.00 -2.33 0.00 0.00 43.42 40.04 2dly n LEU 102 CO 0.00 -1.86 1.22 0.00 -1.33 0.00 0.00 177.39 175.42 2dly s VAL 104 N -5.74 0.19 -0.05 0.00 0.11 -1.26 -5.09 120.40 108.55 2dly s VAL 104 Ca -0.10 -1.56 -0.19 0.00 -2.93 0.00 0.00 61.98 57.20 2dly s VAL 104 Cb 0.18 -1.46 -0.05 0.00 -1.53 0.00 0.00 36.38 33.53 2dly s VAL 104 CO 0.77 -0.85 0.53 -0.75 -3.33 0.00 0.00 175.10 171.48 2dly s LYS 105 N -3.90 4.28 -0.20 1.54 2.20 -1.26 -4.68 119.74 117.72 2dly s LYS 105 Ca 0.07 0.59 -0.28 0.00 -0.36 0.00 0.00 55.97 55.98 2dly s LYS 105 Cb 0.07 -3.37 -0.05 0.00 -1.51 0.00 0.00 37.83 32.97 2dly s LYS 105 CO -0.10 0.31 2.09 -0.51 -0.36 0.00 0.00 175.35 176.77 2dly s LEU 106 N 0.07 3.62 -0.01 5.43 1.43 -1.26 -4.74 118.68 123.22 2dly s LEU 106 Ca 0.28 1.90 -0.01 0.00 -1.03 0.00 0.00 54.13 55.28 2dly s LEU 106 Cb -0.17 -3.52 -0.00 0.00 0.03 0.00 0.00 46.19 42.53 2dly s LEU 106 CO 0.14 -1.76 -0.01 -0.33 0.23 0.00 0.00 176.35 174.62 2dly h GLU 107 N 13.87 0.00 -4.27 1.70 4.39 -1.87 -3.38 114.58 125.02 2dly h GLU 107 Ca -0.41 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.09 2dly h GLU 107 Cb 1.22 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 29.68 2dly h GLU 107 CO 0.97 0.00 -0.71 0.15 -1.16 0.00 0.00 179.01 178.26 2dly s LYS 108 N -1.08 0.47 0.37 2.33 1.02 -1.26 -5.05 119.74 116.54 2dly s LYS 108 Ca -0.01 -0.81 -0.27 0.00 0.02 0.00 0.00 55.97 54.90 2dly s LYS 108 Cb 0.00 -0.03 -0.09 0.00 -0.52 0.00 0.00 37.83 37.19 2dly s LYS 108 CO 0.01 -0.02 1.20 -1.25 -0.92 0.00 0.00 175.35 174.37 2dly s PRO 109 N -2.07 4.21 1.06 -1.68 0.04 -1.26 -2.73 135.00 132.56 2dly s PRO 109 Ca -0.08 1.95 -0.15 0.00 0.04 0.00 0.00 61.00 62.76 2dly s PRO 109 Cb -0.06 -2.86 0.12 0.00 0.04 0.00 0.00 34.50 31.74 2dly s PRO 109 CO -0.02 -0.22 0.38 0.00 0.04 0.00 0.00 177.00 177.18 2dly s LEU 111 N -2.55 2.84 -0.42 0.00 1.43 -1.26 -4.57 118.68 114.15 2dly s LEU 111 Ca 0.59 0.43 0.03 0.00 -1.03 0.00 0.00 54.13 54.15 2dly s LEU 111 Cb -0.18 -3.08 0.12 0.00 0.03 0.00 0.00 46.19 43.08 2dly s LEU 111 CO 0.66 -1.59 0.16 -0.54 0.23 0.00 0.00 176.35 175.26 2dly s LYS 112 N -5.23 1.61 0.19 1.70 1.02 -1.26 -5.04 119.74 112.72 2dly s LYS 112 Ca 0.60 -2.13 -0.30 0.00 0.02 0.00 0.00 55.97 54.16 2dly s LYS 112 Cb -0.11 -3.08 -0.08 0.00 -0.52 0.00 0.00 37.83 34.04 2dly s LYS 112 CO 0.44 -1.03 1.16 0.42 -0.92 0.00 0.00 175.35 175.42 2dly s ILE 113 N 0.42 3.67 -0.03 2.17 -1.09 -1.26 -5.02 121.20 120.06 2dly s ILE 113 Ca 0.14 1.43 -0.21 0.00 -2.23 0.00 0.00 60.65 59.78 2dly s ILE 113 Cb -0.22 -3.91 -0.05 0.00 -1.58 0.00 0.00 42.46 36.70 2dly s ILE 113 CO -0.05 0.24 0.62 0.00 -1.23 0.00 0.00 174.94 174.52 2dly s GLN 114 N -0.36 4.37 -0.17 2.79 -2.07 -1.26 -4.96 119.66 117.99 2dly s GLN 114 Ca 0.51 0.76 -0.03 0.00 -1.82 0.00 0.00 55.36 54.78 2dly s GLN 114 Cb -0.31 -3.39 -0.09 0.00 -1.09 0.00 0.00 33.01 28.13 2dly s GLN 114 CO 0.36 0.25 -0.17 0.28 -1.32 0.00 0.00 175.29 174.69 2dly n VAL 115 N 3.15 0.94 -3.38 3.63 0.31 -1.26 -4.98 118.33 116.74 2dly n VAL 115 Ca -0.05 -0.31 -0.12 0.00 -0.01 0.00 0.00 64.34 63.84 2dly n VAL 115 Cb 0.51 -1.33 -0.09 0.00 -0.91 0.00 0.00 33.84 32.02 2dly n VAL 115 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2dly s SER 116 N -5.96 0.76 0.00 4.52 0.15 -1.26 -5.13 113.70 106.79 2dly s SER 116 Ca -0.23 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.30 2dly s SER 116 Cb 0.07 0.85 0.00 0.00 -1.71 0.00 0.00 66.02 65.23 2dly s SER 116 CO 0.35 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 175.07 2dly n GLY 117 N 5.34 2.86 1.69 9.45 0.00 -1.26 -5.10 105.19 118.18 2dly n GLY 117 Ca -0.03 -1.99 -0.14 0.00 0.00 0.00 0.00 46.02 43.85 2dly n GLY 117 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dly n PRO 118 N -0.28 -2.05 -4.07 1.61 -0.04 -1.26 -4.95 135.00 123.95 2dly n PRO 118 Ca 0.00 -0.84 -0.31 0.00 -0.04 0.00 0.00 63.50 62.31 2dly n PRO 118 Cb 0.00 -0.79 -0.07 0.00 -0.04 0.00 0.00 33.50 32.60 2dly n PRO 118 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dly s SER 119 N -2.93 5.58 0.00 3.54 0.15 -1.26 -5.05 113.70 113.73 2dly s SER 119 Ca 0.34 0.04 -0.28 0.00 0.70 0.00 0.00 55.95 56.75 2dly s SER 119 Cb -0.03 -1.53 0.10 0.00 -1.71 0.00 0.00 66.02 62.84 2dly s SER 119 CO 0.26 0.20 0.84 -0.55 1.20 0.00 0.00 173.24 175.20 2dly s SER 120 N -2.19 -0.42 0.00 5.45 0.15 -1.26 -5.27 113.70 110.16 2dly s SER 120 Ca 0.27 0.09 0.00 0.00 0.70 0.00 0.00 55.95 57.02 2dly s SER 120 Cb -0.12 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 2dly s SER 120 CO 0.20 -0.64 0.00 0.61 1.20 0.00 0.00 173.24 174.60