#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 6.31 0.60 1.61 0.15 -1.26 -5.04 113.70 116.08 2dly s SER 2 Ca 0.00 0.80 -0.18 0.00 0.70 0.00 0.00 55.95 57.27 2dly s SER 2 Cb 0.00 -2.19 -0.06 0.00 -1.71 0.00 0.00 66.02 62.06 2dly s SER 2 CO 0.00 -0.46 0.78 -0.24 1.20 0.00 0.00 173.24 174.53 2dly n SER 3 N -1.94 -0.00 -4.93 5.45 2.88 -1.26 -4.98 113.62 108.83 2dly n SER 3 Ca -0.01 0.76 -0.25 0.00 -1.33 0.00 0.00 58.87 58.04 2dly n SER 3 Cb 0.55 -1.30 0.01 0.00 -0.75 0.00 0.00 64.21 62.72 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 -1.26 1.55 -1.49 0.46 0.00 -1.26 -4.23 107.32 101.08 2dly s GLY 4 Ca 0.73 -0.84 -0.17 0.00 0.00 0.00 0.00 44.72 44.44 2dly s GLY 4 CO 0.50 -0.65 0.42 -1.14 0.00 0.00 0.00 173.10 172.22 2dly n SER 5 N -2.23 -1.17 -4.23 1.64 3.41 -1.26 -4.87 113.62 104.91 2dly n SER 5 Ca 0.02 -1.01 -0.35 0.00 -0.26 0.00 0.00 58.87 57.27 2dly n SER 5 Cb 0.57 -1.29 -0.14 0.00 -0.26 0.00 0.00 64.21 63.09 2dly n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dly s SER 6 N -2.99 4.16 0.00 4.04 1.04 -1.26 -5.05 113.70 113.64 2dly s SER 6 Ca 0.58 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 56.36 2dly s SER 6 Cb -0.34 -1.67 0.00 0.00 0.10 0.00 0.00 66.02 64.11 2dly s SER 6 CO 0.83 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 175.59 2dly n GLY 7 N 4.72 -0.90 2.64 7.32 0.00 -1.26 -5.04 105.19 112.67 2dly n GLY 7 Ca -0.18 -1.57 -0.44 0.00 0.00 0.00 0.00 46.02 43.83 2dly n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dly n ALA 8 N -0.44 -2.83 -2.64 4.61 0.00 -1.26 -4.77 120.51 113.19 2dly n ALA 8 Ca 0.00 0.44 -0.43 0.00 0.00 0.00 0.00 53.44 53.45 2dly n ALA 8 Cb 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.13 2dly n ALA 8 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2dly n GLU 9 N 1.08 3.30 -4.10 0.00 1.02 -1.26 -4.93 120.64 115.74 2dly n GLU 9 Ca 0.15 -3.50 -0.33 0.00 -0.02 0.00 0.00 57.16 53.46 2dly n GLU 9 Cb 0.08 -3.21 -0.16 0.00 -0.02 0.00 0.00 31.44 28.13 2dly n GLU 9 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2dly s ASP 10 N 3.10 3.09 0.08 1.62 1.01 -1.26 -4.95 116.67 119.35 2dly s ASP 10 Ca 0.47 -0.64 0.00 0.00 0.71 0.00 0.00 52.55 53.09 2dly s ASP 10 Cb 0.03 -1.44 0.00 0.00 1.01 0.00 0.00 42.92 42.52 2dly s ASP 10 CO 0.02 -0.01 0.00 -2.11 0.21 0.00 0.00 175.17 173.28 2dly n ARG 11 N 4.64 0.00 0.08 8.23 1.85 -1.26 -4.79 116.66 125.41 2dly n ARG 11 Ca -0.20 0.00 0.21 0.00 -1.00 0.00 0.00 57.85 56.85 2dly n ARG 11 Cb 0.50 -0.19 0.69 0.00 -1.05 0.00 0.00 32.46 32.41 2dly n ARG 11 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 2dly h SER 12 N 0.00 0.00 -0.57 2.89 4.64 -2.04 0.48 113.55 118.94 2dly h SER 12 Ca 0.00 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.49 2dly h SER 12 Cb 0.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 2dly h SER 12 CO 0.00 0.00 0.64 0.25 -0.87 0.00 0.00 176.83 176.85 2dly h LEU 13 N 0.00 0.00 -1.78 5.97 6.46 -1.98 0.31 115.31 124.29 2dly h LEU 13 Ca 0.21 0.00 0.08 0.00 -0.12 0.00 0.00 57.88 58.05 2dly h LEU 13 Cb 1.35 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.25 2dly h LEU 13 CO -0.00 0.00 0.30 0.06 -0.62 0.00 0.00 178.44 178.18 2dly h GLN 14 N 0.00 0.25 0.00 1.25 3.07 -1.26 0.14 115.11 118.56 2dly h GLN 14 Ca 0.27 -0.02 -0.01 0.00 0.09 0.00 0.00 58.65 58.99 2dly h GLN 14 Cb 1.55 -0.06 -0.00 0.00 0.08 0.00 0.00 27.48 29.05 2dly h GLN 14 CO -0.00 0.17 -0.06 0.00 0.09 0.00 0.00 178.83 179.03 2dly h ALA 15 N 1.77 1.75 -2.25 0.06 0.00 -0.59 -3.43 119.26 116.57 2dly h ALA 15 Ca 0.20 -0.05 -0.59 0.00 0.00 0.00 0.00 54.91 54.47 2dly h ALA 15 Cb 0.46 -0.01 0.07 0.00 0.00 0.00 0.00 17.79 18.31 2dly h ALA 15 CO -0.04 0.07 0.71 0.39 0.00 0.00 0.00 179.25 180.38 2dly n GLU 16 N -4.25 2.03 -0.05 0.00 -0.58 0.03 -4.91 120.64 112.92 2dly n GLU 16 Ca -0.03 0.73 -0.13 0.00 -0.42 0.00 0.00 57.16 57.31 2dly n GLU 16 Cb 0.14 -2.45 -0.08 0.00 -0.57 0.00 0.00 31.44 28.48 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 5.22 0.29 0.00 3.49 0.13 -1.87 -2.92 132.00 136.34 2dly h PRO 17 Ca -0.45 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 2dly h PRO 17 Cb 1.27 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2dly h PRO 17 CO 0.83 0.70 0.00 -2.67 -0.23 0.00 0.00 178.00 176.63 2dly n TRP 18 N -4.61 0.00 -3.19 1.56 4.27 -1.26 -4.52 117.44 109.69 2dly n TRP 18 Ca -0.07 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.12 2dly n TRP 18 Cb 0.34 -0.42 -0.07 0.00 -1.36 0.00 0.00 31.31 29.80 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 -2.84 3.14 -0.29 -2.67 5.36 -1.10 0.05 117.98 119.63 2dly s PHE 19 Ca 0.07 0.07 0.09 0.00 -0.96 0.00 0.00 56.93 56.19 2dly s PHE 19 Cb 0.07 -3.08 0.49 0.00 -0.34 0.00 0.00 43.02 40.16 2dly s PHE 19 CO 0.18 -0.67 1.42 1.19 -1.46 0.00 0.00 175.22 175.89 2dly n PHE 20 N 5.92 1.05 -2.40 10.12 3.01 -1.07 -4.84 117.46 129.24 2dly n PHE 20 Ca -0.04 -1.67 0.00 0.00 1.01 0.00 0.00 57.45 56.76 2dly n PHE 20 Cb 0.48 -0.47 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 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 -1.10 2.12 3.50 1.37 0.00 -1.26 -4.13 105.19 105.69 2dly n GLY 21 Ca 0.32 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.49 3.35 0.12 4.61 0.00 -1.26 -0.11 121.76 126.99 2dly s ALA 22 Ca 0.00 -1.34 -0.00 0.00 0.00 0.00 0.00 51.96 50.62 2dly s ALA 22 Cb 0.00 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 2dly s ALA 22 CO 0.00 -1.84 0.02 0.96 0.00 0.00 0.00 175.76 174.90 2dly s ILE 23 N 2.77 0.33 0.26 0.00 -4.36 -1.26 -4.91 121.20 114.03 2dly s ILE 23 Ca 0.20 -1.91 -0.02 0.00 -0.26 0.00 0.00 60.65 58.66 2dly s ILE 23 Cb -0.15 -1.94 -0.04 0.00 1.25 0.00 0.00 42.46 41.58 2dly s ILE 23 CO 0.17 -0.60 0.48 -0.54 0.24 0.00 0.00 174.94 174.69 2dly s LYS 24 N -3.97 3.55 0.52 0.37 1.02 -1.26 -4.76 119.74 115.21 2dly s LYS 24 Ca 0.20 -0.23 0.35 0.00 0.02 0.00 0.00 55.97 56.31 2dly s LYS 24 Cb 0.07 -2.74 1.50 0.00 -0.52 0.00 0.00 37.83 36.14 2dly s LYS 24 CO -0.00 0.29 1.77 0.07 -0.92 0.00 0.00 175.35 176.55 2dly h ARG 25 N 1.62 0.06 -0.36 1.68 0.11 -2.00 0.39 114.38 115.89 2dly h ARG 25 Ca -0.48 -0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.53 2dly h ARG 25 Cb 1.20 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 32.25 2dly h ARG 25 CO 0.66 0.04 -0.01 0.00 0.10 0.00 0.00 179.97 180.76 2dly h ALA 26 N 1.41 0.49 -0.32 0.08 0.00 -1.98 0.33 119.26 119.28 2dly h ALA 26 Ca 0.62 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 55.19 2dly h ALA 26 Cb 2.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.95 2dly h ALA 26 CO -0.07 0.26 -0.12 0.22 0.00 0.00 0.00 179.25 179.54 2dly h ASP 27 N 0.46 0.66 -0.14 0.00 1.82 -0.64 -1.93 116.42 116.66 2dly h ASP 27 Ca 0.10 -0.39 -0.04 0.00 -0.39 0.00 0.00 57.03 56.31 2dly h ASP 27 Cb 0.47 -0.18 -0.00 0.00 0.68 0.00 0.00 39.33 40.30 2dly h ASP 27 CO 0.02 0.90 -0.08 0.00 -1.61 0.00 0.00 179.24 178.47 2dly h ALA 28 N 0.78 0.19 -0.58 -0.78 0.00 -1.25 -2.66 119.26 114.97 2dly h ALA 28 Ca 0.07 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.74 2dly h ALA 28 Cb 0.64 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2dly h ALA 28 CO 0.04 0.01 0.38 0.93 0.00 0.00 0.00 179.25 180.61 2dly h GLU 29 N -0.06 0.63 -0.46 0.00 5.08 -0.37 0.07 114.58 119.47 2dly h GLU 29 Ca 0.03 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 2dly h GLU 29 Cb 0.57 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2dly h GLU 29 CO 0.02 0.41 -0.11 0.87 -1.00 0.00 0.00 179.01 179.21 2dly h LYS 30 N 0.64 0.88 -0.07 2.33 1.57 -1.26 0.23 116.57 120.91 2dly h LYS 30 Ca 0.23 -0.34 -0.14 0.00 -1.87 0.00 0.00 60.65 58.54 2dly h LYS 30 Cb 0.13 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2dly h LYS 30 CO -0.06 0.98 -0.57 1.96 -0.57 0.00 0.00 179.45 181.18 2dly h GLN 31 N 0.73 0.23 0.05 3.15 1.08 -0.99 -2.79 115.11 116.56 2dly h GLN 31 Ca 0.12 -0.15 -0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2dly h GLN 31 Cb 0.65 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.10 2dly h GLN 31 CO 0.04 0.74 -0.03 -0.07 -0.95 0.00 0.00 178.83 178.57 2dly h LEU 32 N 0.17 -0.06 -0.79 1.46 3.38 -0.87 -3.21 115.31 115.39 2dly h LEU 32 Ca -0.00 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.41 2dly h LEU 32 Cb 1.06 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2dly h LEU 32 CO 0.09 0.66 0.05 0.18 0.09 0.00 0.00 178.44 179.51 2dly n LEU 33 N -4.76 0.31 -4.09 1.67 4.77 0.81 -4.63 117.00 111.07 2dly n LEU 33 Ca -0.07 0.62 -0.36 0.00 -0.03 0.00 0.00 56.01 56.16 2dly n LEU 33 Cb 0.30 -0.64 0.04 0.00 -2.33 0.00 0.00 43.42 40.79 2dly n LEU 33 CO 0.24 -0.72 -1.08 0.00 -1.33 0.00 0.00 177.39 174.50 2dly n TYR 34 N -1.91 -4.42 0.20 -1.77 9.36 -1.05 -4.91 117.16 112.66 2dly n TYR 34 Ca -0.01 0.08 -0.09 0.00 3.32 0.00 0.00 57.90 61.20 2dly n TYR 34 Cb 0.07 -1.52 -0.04 0.00 -0.63 0.00 0.00 39.34 37.22 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 -0.86 -0.49 -1.27 2.98 0.87 -1.90 -3.21 113.55 109.67 2dly h SER 35 Ca -0.44 0.02 0.37 0.00 -1.23 0.00 0.00 61.79 60.51 2dly h SER 35 Cb 1.32 0.13 -0.08 0.00 -0.44 0.00 0.00 62.40 63.33 2dly h SER 35 CO 0.28 -0.09 0.87 -0.33 -0.53 0.00 0.00 176.83 177.02 2dly h GLU 36 N -1.10 0.13 -6.84 2.24 5.08 -1.95 -3.39 114.58 108.75 2dly h GLU 36 Ca -0.06 -0.01 -0.47 0.00 -1.00 0.00 0.00 59.36 57.82 2dly h GLU 36 Cb 0.44 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2dly h GLU 36 CO 0.10 0.08 0.18 -0.80 -1.00 0.00 0.00 179.01 177.58 2dly s ASN 37 N -4.88 6.84 0.34 1.42 0.01 -1.21 -5.08 114.94 112.38 2dly s ASN 37 Ca -0.07 1.43 0.00 0.00 -0.71 0.00 0.00 52.86 53.52 2dly s ASN 37 Cb 0.26 -2.43 0.00 0.00 0.41 0.00 0.00 41.25 39.48 2dly s ASN 37 CO 0.82 -0.25 0.43 0.00 -1.51 0.00 0.00 177.10 176.59 2dly n GLN 38 N -0.42 0.62 -1.29 -0.60 10.64 -1.26 -4.74 117.38 120.32 2dly n GLN 38 Ca 0.05 -2.82 -0.53 0.00 -1.83 0.00 0.00 57.00 51.87 2dly n GLN 38 Cb 0.53 2.62 -0.08 0.00 -0.86 0.00 0.00 30.24 32.45 2dly n GLN 38 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 2dly n THR 39 N -0.57 0.00 0.00 -0.39 -1.04 -1.26 -1.15 114.28 109.86 2dly n THR 39 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 2dly n THR 39 Cb 0.57 -0.40 0.00 0.00 -1.82 0.00 0.00 70.33 68.68 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 3.93 2.69 3.43 3.41 0.00 0.80 -4.87 105.19 114.58 2dly n GLY 40 Ca 0.30 -0.86 -0.60 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.04 -2.51 4.61 0.00 -0.30 -3.80 120.51 118.47 2dly n ALA 41 Ca 0.00 0.24 -0.25 0.00 0.00 0.00 0.00 53.44 53.43 2dly n ALA 41 Cb 0.00 -2.13 -0.10 0.00 0.00 0.00 0.00 19.45 17.23 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 5.32 2.38 -0.29 0.00 -0.71 -1.03 0.28 117.98 123.92 2dly s PHE 42 Ca 1.13 -0.39 -0.16 0.00 -1.04 0.00 0.00 56.93 56.48 2dly s PHE 42 Cb -1.37 -1.18 0.16 0.00 -1.21 0.00 0.00 43.02 39.43 2dly s PHE 42 CO 0.67 0.65 1.03 -0.48 -1.34 0.00 0.00 175.22 175.74 2dly s LEU 43 N -3.57 -0.46 -0.13 -1.99 0.05 0.67 -0.43 118.68 112.82 2dly s LEU 43 Ca 0.31 0.69 -0.09 0.00 0.05 0.00 0.00 54.13 55.10 2dly s LEU 43 Cb -0.02 1.61 -0.04 0.00 -2.05 0.00 0.00 46.19 45.69 2dly s LEU 43 CO 0.16 -0.10 0.18 -0.63 -0.55 0.00 0.00 176.35 175.40 2dly s ILE 44 N 1.64 5.43 0.24 1.48 1.09 0.11 -0.99 121.20 130.19 2dly s ILE 44 Ca -0.07 0.29 0.03 0.00 -1.10 0.00 0.00 60.65 59.81 2dly s ILE 44 Cb -0.04 -3.46 -0.05 0.00 -1.06 0.00 0.00 42.46 37.84 2dly s ILE 44 CO -0.15 0.56 0.02 0.00 -0.10 0.00 0.00 174.94 175.27 2dly s ARG 45 N -0.64 1.36 -0.10 2.79 1.70 -0.48 -2.60 118.95 120.97 2dly s ARG 45 Ca 0.15 -1.70 -0.23 0.00 -0.47 0.00 0.00 55.73 53.48 2dly s ARG 45 Cb -0.12 -0.56 -0.03 0.00 -0.57 0.00 0.00 34.95 33.66 2dly s ARG 45 CO 0.04 -0.14 0.69 -1.21 -1.08 0.00 0.00 175.30 173.60 2dly s GLU 46 N -3.89 4.38 -0.05 3.89 2.02 0.85 -0.58 118.70 125.31 2dly s GLU 46 Ca 0.30 0.82 -0.30 0.00 0.02 0.00 0.00 54.97 55.82 2dly s GLU 46 Cb 0.06 -3.48 -0.07 0.00 0.10 0.00 0.00 34.13 30.74 2dly s GLU 46 CO 0.10 -0.03 1.86 0.45 0.02 0.00 0.00 175.26 177.66 2dly s SER 47 N 0.90 6.39 0.07 -0.19 0.15 -0.93 -4.09 113.70 116.00 2dly s SER 47 Ca 0.35 2.32 -0.20 0.00 0.70 0.00 0.00 55.95 59.12 2dly s SER 47 Cb -0.17 -2.53 -0.11 0.00 -1.71 0.00 0.00 66.02 61.50 2dly s SER 47 CO 0.16 -1.15 1.54 1.05 1.20 0.00 0.00 173.24 176.04 2dly h GLU 48 N 10.82 0.29 0.00 5.44 4.11 -1.92 -3.28 114.58 130.05 2dly h GLU 48 Ca -0.43 -0.08 0.00 0.00 0.07 0.00 0.00 59.36 58.92 2dly h GLU 48 Cb 1.21 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2dly h GLU 48 CO 0.95 0.46 0.00 0.45 0.07 0.00 0.00 179.01 180.95 2dly n SER 49 N -4.77 0.00 -4.21 3.06 2.88 -1.26 -4.18 113.62 105.15 2dly n SER 49 Ca -0.05 0.98 -0.38 0.00 -1.33 0.00 0.00 58.87 58.10 2dly n SER 49 Cb 0.19 -0.48 -0.11 0.00 -0.75 0.00 0.00 64.21 63.05 2dly n SER 49 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2dly s GLN 50 N -2.91 2.40 0.50 -1.46 0.74 -1.25 -5.08 119.66 112.60 2dly s GLN 50 Ca 0.00 -1.49 -0.21 0.00 0.05 0.00 0.00 55.36 53.71 2dly s GLN 50 Cb 0.00 -3.56 -0.09 0.00 1.10 0.00 0.00 33.01 30.45 2dly s GLN 50 CO 0.00 -0.88 0.74 1.17 -0.55 0.00 0.00 175.29 175.77 2dly n LYS 51 N 4.75 0.83 0.00 1.67 3.00 -1.24 -2.63 118.16 124.54 2dly n LYS 51 Ca -0.09 0.31 0.00 0.00 -0.00 0.00 0.00 58.31 58.53 2dly n LYS 51 Cb 0.43 -1.84 0.00 0.00 0.00 0.00 0.00 35.03 33.62 2dly n LYS 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2dly n GLY 52 N 1.53 3.06 3.53 3.14 0.00 -1.26 -5.03 105.19 110.16 2dly n GLY 52 Ca 0.11 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 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 0.00 0.98 -0.02 1.61 1.11 -1.08 -4.89 116.67 114.38 2dly s ASP 53 Ca 0.00 1.09 -0.10 0.00 0.18 0.00 0.00 52.55 53.73 2dly s ASP 53 Cb 0.00 -1.66 0.01 0.00 1.07 0.00 0.00 42.92 42.34 2dly s ASP 53 CO 0.00 -4.14 0.22 -0.36 1.18 0.00 0.00 175.17 172.07 2dly s PHE 54 N -2.68 -0.10 -0.11 4.23 0.40 -1.25 -2.19 117.98 116.27 2dly s PHE 54 Ca 0.68 0.18 0.03 0.00 -0.60 0.00 0.00 56.93 57.22 2dly s PHE 54 Cb -0.18 0.03 0.01 0.00 0.51 0.00 0.00 43.02 43.39 2dly s PHE 54 CO 0.60 -0.28 -0.20 -1.12 0.70 0.00 0.00 175.22 174.92 2dly s SER 55 N -1.00 2.79 -0.39 1.36 0.01 0.26 -1.73 113.70 115.00 2dly s SER 55 Ca -0.11 -0.52 -0.17 0.00 1.31 0.00 0.00 55.95 56.46 2dly s SER 55 Cb -0.05 -1.28 0.01 0.00 0.21 0.00 0.00 66.02 64.91 2dly s SER 55 CO 0.02 0.08 0.46 -0.22 0.41 0.00 0.00 173.24 173.99 2dly s LEU 56 N 0.74 4.60 -0.23 2.44 2.96 -0.38 -1.39 118.68 127.42 2dly s LEU 56 Ca -0.10 -0.37 -0.07 0.00 -0.22 0.00 0.00 54.13 53.36 2dly s LEU 56 Cb -0.16 -2.47 -0.03 0.00 0.50 0.00 0.00 46.19 44.03 2dly s LEU 56 CO 0.01 -0.52 0.07 -0.44 -1.32 0.00 0.00 176.35 174.15 2dly s SER 57 N 1.80 5.26 0.02 3.68 0.01 -0.16 -0.70 113.70 123.60 2dly s SER 57 Ca 0.15 -0.14 0.05 0.00 1.31 0.00 0.00 55.95 57.32 2dly s SER 57 Cb -0.16 -1.94 -0.02 0.00 0.21 0.00 0.00 66.02 64.11 2dly s SER 57 CO 0.14 0.01 -0.16 -0.69 0.41 0.00 0.00 173.24 172.94 2dly s VAL 58 N 1.35 1.30 -0.00 3.43 1.01 -1.10 -0.24 120.40 126.14 2dly s VAL 58 Ca 0.05 -0.90 -0.19 0.00 0.00 0.00 0.00 61.98 60.94 2dly s VAL 58 Cb -0.15 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.06 2dly s VAL 58 CO 0.04 0.21 0.55 -0.22 0.00 0.00 0.00 175.10 175.67 2dly s LEU 59 N -0.80 4.43 -0.48 3.92 2.96 0.14 0.08 118.68 128.94 2dly s LEU 59 Ca 0.05 1.11 0.05 0.00 -0.22 0.00 0.00 54.13 55.12 2dly s LEU 59 Cb -0.07 -2.84 0.19 0.00 0.50 0.00 0.00 46.19 43.97 2dly s LEU 59 CO 0.01 0.15 0.43 -0.67 -1.32 0.00 0.00 176.35 174.95 2dly n ASP 60 N 2.53 0.58 -0.50 3.68 2.03 0.24 -0.14 116.55 124.97 2dly n ASP 60 Ca -0.09 -2.67 -0.05 0.00 0.52 0.00 0.00 54.79 52.51 2dly n ASP 60 Cb 0.51 -0.62 -0.01 0.00 -0.72 0.00 0.00 41.12 40.28 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 2.25 -0.39 0.00 -0.67 1.02 -1.26 -3.16 120.64 118.42 2dly n GLU 61 Ca 0.26 0.47 0.00 0.00 -0.02 0.00 0.00 57.16 57.87 2dly n GLU 61 Cb 0.46 -4.23 0.00 0.00 -0.02 0.00 0.00 31.44 27.65 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 -1.67 1.65 3.73 0.62 0.00 -1.26 -5.02 105.19 103.24 2dly n GLY 62 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.19 5.40 -0.42 1.61 0.11 -1.19 -4.85 120.40 118.87 2dly s VAL 63 Ca 0.00 0.22 -0.19 0.00 -2.93 0.00 0.00 61.98 59.09 2dly s VAL 63 Cb 0.00 -3.48 0.02 0.00 -1.53 0.00 0.00 36.38 31.38 2dly s VAL 63 CO 0.00 0.44 0.53 -0.69 -3.33 0.00 0.00 175.10 172.05 2dly s VAL 64 N 0.34 4.97 -0.50 2.04 1.01 -1.26 0.82 120.40 127.82 2dly s VAL 64 Ca 0.09 -0.05 -0.24 0.00 0.00 0.00 0.00 61.98 61.78 2dly s VAL 64 Cb -0.11 -4.09 0.03 0.00 0.00 0.00 0.00 36.38 32.21 2dly s VAL 64 CO -0.01 -0.46 0.86 -0.54 0.00 0.00 0.00 175.10 174.95 2dly s LYS 65 N 2.46 3.38 -0.42 2.72 3.01 0.11 -4.85 119.74 126.15 2dly s LYS 65 Ca 0.17 -0.17 -0.26 0.00 -1.01 0.00 0.00 55.97 54.71 2dly s LYS 65 Cb -0.16 -3.99 0.02 0.00 -1.01 0.00 0.00 37.83 32.70 2dly s LYS 65 CO 0.16 -1.29 0.97 -1.01 0.51 0.00 0.00 175.35 174.69 2dly s HIS 66 N 3.60 2.98 -0.20 3.18 3.76 -1.26 -2.71 115.29 124.63 2dly s HIS 66 Ca 0.31 0.65 -0.06 0.00 -0.15 0.00 0.00 55.06 55.80 2dly s HIS 66 Cb -0.12 -3.91 -0.03 0.00 1.11 0.00 0.00 32.58 29.63 2dly s HIS 66 CO 0.21 -1.00 0.03 0.71 -0.85 0.00 0.00 174.74 173.85 2dly s TYR 67 N 3.76 3.11 -0.06 1.40 2.02 0.12 -4.96 117.35 122.74 2dly s TYR 67 Ca 0.40 -0.26 -0.30 0.00 -0.37 0.00 0.00 57.07 56.54 2dly s TYR 67 Cb -0.10 -2.11 -0.04 0.00 -0.40 0.00 0.00 41.96 39.31 2dly s TYR 67 CO 0.24 -0.13 1.33 0.50 -1.57 0.00 0.00 175.55 175.92 2dly s ARG 68 N 0.89 4.29 -0.57 -0.62 3.52 -1.26 -1.24 118.95 123.95 2dly s ARG 68 Ca 0.02 1.83 -0.14 0.00 -0.13 0.00 0.00 55.73 57.31 2dly s ARG 68 Cb -0.14 -3.64 0.14 0.00 -1.56 0.00 0.00 34.95 29.75 2dly s ARG 68 CO 0.02 -0.58 0.50 0.42 -0.81 0.00 0.00 175.30 174.86 2dly s ILE 69 N 2.69 4.99 0.54 4.11 1.01 -0.71 -4.74 121.20 129.09 2dly s ILE 69 Ca 0.60 -1.77 -0.14 0.00 0.00 0.00 0.00 60.65 59.34 2dly s ILE 69 Cb -0.27 -4.20 -0.06 0.00 0.01 0.00 0.00 42.46 37.94 2dly s ILE 69 CO 0.23 -0.87 0.97 -0.13 0.00 0.00 0.00 174.94 175.14 2dly s ARG 70 N 1.26 3.81 0.11 2.79 0.52 -1.02 -3.79 118.95 122.62 2dly s ARG 70 Ca 0.06 0.82 0.10 0.00 -0.52 0.00 0.00 55.73 56.20 2dly s ARG 70 Cb -0.26 -2.15 -0.04 0.00 0.52 0.00 0.00 34.95 33.02 2dly s ARG 70 CO 0.00 -0.34 -0.26 1.03 0.02 0.00 0.00 175.30 175.75 2dly s ARG 71 N -4.42 1.45 0.55 3.54 0.52 -1.26 -0.96 118.95 118.37 2dly s ARG 71 Ca 0.56 -1.29 0.06 0.00 -0.52 0.00 0.00 55.73 54.55 2dly s ARG 71 Cb -0.10 -1.88 0.10 0.00 0.52 0.00 0.00 34.95 33.59 2dly s ARG 71 CO 0.39 0.45 0.76 1.28 0.02 0.00 0.00 175.30 178.21 2dly n LEU 72 N 1.08 0.00 -0.16 2.53 7.99 -0.78 -4.99 117.00 122.67 2dly n LEU 72 Ca -0.18 -2.14 0.06 0.00 -0.01 0.00 0.00 56.01 53.75 2dly n LEU 72 Cb 0.53 -0.43 -0.03 0.00 -0.11 0.00 0.00 43.42 43.37 2dly n LEU 72 CO 0.23 -0.76 0.12 -0.67 -1.51 0.00 0.00 177.39 174.80 2dly n ASP 73 N -2.55 1.04 -0.00 -1.43 -0.08 -1.26 -4.54 116.55 107.73 2dly n ASP 73 Ca 0.15 -1.02 0.00 0.00 -1.51 0.00 0.00 54.79 52.41 2dly n ASP 73 Cb 0.53 0.70 -0.00 0.00 2.34 0.00 0.00 41.12 44.69 2dly n ASP 73 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 2dly n GLU 74 N -0.67 1.04 0.00 -0.67 0.28 -1.26 -5.04 120.64 114.33 2dly n GLU 74 Ca 0.04 -0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.04 2dly n GLU 74 Cb 0.23 -1.00 0.00 0.00 1.43 0.00 0.00 31.44 32.10 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 2.63 1.05 0.00 -1.84 0.00 -1.26 -5.15 105.19 100.61 2dly n GLY 75 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.27 3.39 -0.02 0.00 -1.16 -4.85 105.19 107.81 2dly n GLY 76 Ca 0.00 0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 0.46 2.25 -0.24 1.61 0.40 -1.13 -1.87 117.98 119.45 2dly s PHE 77 Ca 0.00 -0.38 -0.14 0.00 -0.60 0.00 0.00 56.93 55.81 2dly s PHE 77 Cb 0.00 -1.19 0.07 0.00 0.51 0.00 0.00 43.02 42.41 2dly s PHE 77 CO 0.00 0.36 0.58 -0.59 0.70 0.00 0.00 175.22 176.28 2dly s PHE 78 N -1.23 -0.89 -0.17 0.36 -0.71 -0.13 -0.55 117.98 114.66 2dly s PHE 78 Ca 0.15 1.81 0.18 0.00 -1.04 0.00 0.00 56.93 58.03 2dly s PHE 78 Cb -0.09 0.49 -0.03 0.00 -1.21 0.00 0.00 43.02 42.18 2dly s PHE 78 CO 0.07 -0.45 1.08 1.25 -1.34 0.00 0.00 175.22 175.82 2dly h LEU 79 N 6.99 0.00 -7.58 -1.99 5.85 -1.82 -2.71 115.31 114.04 2dly h LEU 79 Ca -0.32 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.23 2dly h LEU 79 Cb 1.21 0.00 -0.24 0.00 0.37 0.00 0.00 40.66 42.00 2dly h LEU 79 CO 0.21 0.42 -0.46 0.28 -0.34 0.00 0.00 178.44 178.55 2dly s THR 80 N -3.03 0.03 -0.39 1.05 -1.32 -1.26 -4.87 115.64 105.85 2dly s THR 80 Ca 0.00 -0.22 0.16 0.00 -1.21 0.00 0.00 61.69 60.42 2dly s THR 80 Cb 0.08 -0.36 0.16 0.00 -1.51 0.00 0.00 72.50 70.87 2dly s THR 80 CO 0.78 -0.12 1.48 0.54 -2.21 0.00 0.00 174.62 175.09 2dly n ARG 81 N 2.44 0.10 0.00 7.08 5.12 -1.26 -0.14 116.66 130.00 2dly n ARG 81 Ca -0.16 0.60 0.15 0.00 -1.93 0.00 0.00 57.85 56.51 2dly n ARG 81 Cb 0.58 -1.85 0.68 0.00 -1.16 0.00 0.00 32.46 30.71 2dly n ARG 81 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 2dly n ARG 82 N -2.05 1.38 -3.60 5.56 1.85 -1.26 -4.88 116.66 113.65 2dly n ARG 82 Ca -0.01 -0.58 -0.11 0.00 -1.00 0.00 0.00 57.85 56.15 2dly n ARG 82 Cb 0.04 -1.49 -0.04 0.00 -1.05 0.00 0.00 32.46 29.93 2dly n ARG 82 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2dly s LYS 83 N -2.02 1.20 -0.27 2.89 -0.14 0.81 -5.18 119.74 117.02 2dly s LYS 83 Ca 0.41 -0.67 -0.22 0.00 -1.36 0.00 0.00 55.97 54.12 2dly s LYS 83 Cb 0.21 0.52 0.08 0.00 -1.68 0.00 0.00 37.83 36.96 2dly s LYS 83 CO 0.35 -0.50 0.75 0.08 -0.76 0.00 0.00 175.35 175.28 2dly s VAL 84 N -3.80 0.00 0.37 3.17 1.01 -1.26 -4.30 120.40 115.58 2dly s VAL 84 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.02 2dly s VAL 84 Cb 0.00 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.38 2dly s VAL 84 CO -0.10 0.00 0.00 0.49 0.00 0.00 0.00 175.10 175.49 2dly n PHE 85 N 3.09 0.85 -0.10 5.22 3.72 0.29 -5.02 117.46 125.53 2dly n PHE 85 Ca -0.16 -1.84 -0.19 0.00 -0.05 0.00 0.00 57.45 55.21 2dly n PHE 85 Cb 0.56 -0.24 -0.06 0.00 -0.94 0.00 0.00 39.48 38.79 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 1.59 -4.27 4.37 7.64 -1.26 -2.85 113.62 117.60 2dly n SER 86 Ca -0.15 0.27 -0.18 0.00 1.01 0.00 0.00 58.87 59.82 2dly n SER 86 Cb 0.47 -0.64 -0.11 0.00 -1.01 0.00 0.00 64.21 62.92 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 -2.48 1.43 0.59 0.44 -4.23 -1.26 -4.03 115.64 106.11 2dly s THR 87 Ca -0.28 -1.84 0.31 0.00 -1.18 0.00 0.00 61.69 58.70 2dly s THR 87 Cb 0.10 -1.67 0.44 0.00 1.34 0.00 0.00 72.50 72.71 2dly s THR 87 CO 0.37 -0.45 1.59 -0.07 -0.54 0.00 0.00 174.62 175.51 2dly h LEU 88 N 3.30 0.00 0.18 4.79 3.38 -1.97 -1.30 115.31 123.69 2dly h LEU 88 Ca -0.40 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 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 0.53 0.00 -0.09 -1.13 0.09 0.00 0.00 178.44 177.85 2dly h ASN 89 N 0.00 -0.20 -0.18 -0.43 -0.73 -2.00 -2.65 115.58 109.39 2dly h ASN 89 Ca 0.45 0.01 0.05 0.00 1.87 0.00 0.00 56.30 58.68 2dly h ASN 89 Cb 2.34 0.05 -0.01 0.00 0.27 0.00 0.00 38.32 40.98 2dly h ASN 89 CO -0.00 -0.13 0.19 -0.33 -0.37 0.00 0.00 177.43 176.78 2dly h GLU 90 N -0.26 0.00 -0.71 6.67 5.08 -1.68 0.13 114.58 123.81 2dly h GLU 90 Ca -0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 2dly h GLU 90 Cb 0.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 2dly h GLU 90 CO 0.04 0.00 0.32 0.35 -1.00 0.00 0.00 179.01 178.72 2dly h PHE 91 N 0.00 1.01 0.10 4.33 3.04 -1.20 -2.33 116.94 121.89 2dly h PHE 91 Ca 0.08 -0.05 -0.37 0.00 3.98 0.00 0.00 57.97 61.62 2dly h PHE 91 Cb 0.47 -0.32 -0.03 0.00 2.56 0.00 0.00 35.95 38.63 2dly h PHE 91 CO 0.00 0.75 -2.10 0.28 -2.02 0.00 0.00 178.31 175.22 2dly n VAL 92 N -4.32 1.72 0.16 1.41 0.31 -0.26 -3.81 118.33 113.53 2dly n VAL 92 Ca 0.07 -0.64 0.19 0.00 -0.01 0.00 0.00 64.34 63.94 2dly n VAL 92 Cb 0.15 -1.66 0.79 0.00 -0.91 0.00 0.00 33.84 32.21 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 0.06 0.00 0.00 4.52 2.35 -0.81 0.11 115.58 121.81 2dly h ASN 93 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 2dly h ASN 93 Cb 2.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.38 2dly h ASN 93 CO 0.05 0.00 -0.00 0.22 -1.65 0.00 0.00 177.43 176.05 2dly h TYR 94 N 0.00 0.00 -0.78 1.19 5.03 -1.57 -3.37 116.97 117.47 2dly h TYR 94 Ca 0.13 0.00 0.10 0.00 2.58 0.00 0.00 58.73 61.54 2dly h TYR 94 Cb 0.78 0.00 -0.07 0.00 1.55 0.00 0.00 36.73 38.98 2dly h TYR 94 CO 0.00 0.00 0.42 1.88 -1.32 0.00 0.00 178.16 179.14 2dly h TYR 95 N -0.97 0.76 -0.95 -3.82 0.05 -1.57 -0.83 116.97 109.64 2dly h TYR 95 Ca 0.00 0.03 0.28 0.00 0.05 0.00 0.00 58.73 59.09 2dly h TYR 95 Cb 0.00 -0.23 -0.04 0.00 1.01 0.00 0.00 36.73 37.48 2dly h TYR 95 CO -0.00 0.29 1.10 1.79 -1.05 0.00 0.00 178.16 180.30 2dly h THR 96 N 0.71 0.06 0.10 -2.88 1.35 -0.94 1.27 112.91 112.58 2dly h THR 96 Ca 0.38 0.00 -0.34 0.00 -0.55 0.00 0.00 66.41 65.90 2dly h THR 96 Cb 0.38 0.11 -0.02 0.00 -1.73 0.00 0.00 68.15 66.88 2dly h THR 96 CO -0.26 0.00 -1.87 0.71 -0.25 0.00 0.00 175.52 173.86 2dly h THR 97 N 0.00 0.75 -2.73 6.82 1.35 -1.31 -3.46 112.91 114.34 2dly h THR 97 Ca 0.45 -2.48 -0.11 0.00 -0.55 0.00 0.00 66.41 63.72 2dly h THR 97 Cb 2.65 2.54 -0.22 0.00 -1.73 0.00 0.00 68.15 71.40 2dly h THR 97 CO -0.00 0.80 -0.18 0.28 -0.25 0.00 0.00 175.52 176.17 2dly s THR 98 N -2.58 0.02 0.32 6.82 -1.32 0.44 -5.04 115.64 114.31 2dly s THR 98 Ca -0.17 -0.19 0.08 0.00 -1.21 0.00 0.00 61.69 60.21 2dly s THR 98 Cb 0.07 -0.67 0.06 0.00 -1.51 0.00 0.00 72.50 70.45 2dly s THR 98 CO 0.80 -0.10 1.75 0.77 -2.21 0.00 0.00 174.62 175.63 2dly h SER 99 N 4.49 0.19 -2.75 8.08 4.64 -1.87 -3.36 113.55 122.97 2dly h SER 99 Ca -0.28 -0.07 -0.41 0.00 -0.47 0.00 0.00 61.79 60.56 2dly h SER 99 Cb 1.17 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 63.18 2dly h SER 99 CO 0.32 0.55 -0.51 -0.67 -0.87 0.00 0.00 176.83 175.65 2dly n ASP 100 N -4.07 -5.81 0.00 4.97 2.03 -1.26 -1.65 116.55 110.76 2dly n ASP 100 Ca -0.01 0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.33 2dly n ASP 100 Cb 0.44 -4.85 0.00 0.00 -0.72 0.00 0.00 41.12 35.99 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 -0.97 1.99 3.60 0.27 0.00 -1.26 -5.06 105.19 103.76 2dly n GLY 101 Ca -0.24 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.30 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 1.87 -0.25 0.99 4.77 -0.66 -4.75 117.00 118.97 2dly n LEU 102 Ca 0.00 1.15 0.24 0.00 -0.03 0.00 0.00 56.01 57.36 2dly n LEU 102 Cb 0.00 -1.27 0.43 0.00 -2.33 0.00 0.00 43.42 40.25 2dly n LEU 102 CO 0.00 -1.15 0.76 0.00 -1.33 0.00 0.00 177.39 175.67 2dly s VAL 104 N -4.99 0.09 -0.04 0.00 0.11 -1.26 -5.15 120.40 109.17 2dly s VAL 104 Ca -0.06 -0.74 -0.22 0.00 -2.93 0.00 0.00 61.98 58.03 2dly s VAL 104 Cb 0.23 -0.95 -0.04 0.00 -1.53 0.00 0.00 36.38 34.09 2dly s VAL 104 CO 0.55 -0.41 0.65 -0.75 -3.33 0.00 0.00 175.10 171.81 2dly s LYS 105 N -2.62 4.39 -0.31 1.54 2.20 -1.26 -4.80 119.74 118.89 2dly s LYS 105 Ca -0.05 0.80 -0.27 0.00 -0.36 0.00 0.00 55.97 56.09 2dly s LYS 105 Cb -0.01 -3.40 -0.06 0.00 -1.51 0.00 0.00 37.83 32.86 2dly s LYS 105 CO -0.04 0.20 2.28 -0.51 -0.36 0.00 0.00 175.35 176.92 2dly s LEU 106 N 0.35 3.42 0.00 5.43 1.43 -1.26 -4.75 118.68 123.30 2dly s LEU 106 Ca 0.34 1.63 0.00 0.00 -1.03 0.00 0.00 54.13 55.07 2dly s LEU 106 Cb -0.18 -3.19 0.00 0.00 0.03 0.00 0.00 46.19 42.85 2dly s LEU 106 CO 0.17 -2.26 0.00 -0.62 0.23 0.00 0.00 176.35 173.87 2dly n GLU 107 N 8.85 0.00 -4.10 1.70 -0.58 -1.25 -4.22 120.64 121.03 2dly n GLU 107 Ca 0.32 0.34 -0.13 0.00 -0.42 0.00 0.00 57.16 57.27 2dly n GLU 107 Cb 0.48 -0.83 -0.11 0.00 -0.57 0.00 0.00 31.44 30.41 2dly n GLU 107 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2dly s LYS 108 N -0.92 0.64 0.59 3.49 -0.14 -1.26 -5.04 119.74 117.10 2dly s LYS 108 Ca 0.00 -0.92 -0.18 0.00 -1.36 0.00 0.00 55.97 53.51 2dly s LYS 108 Cb 0.00 -0.35 -0.04 0.00 -1.68 0.00 0.00 37.83 35.77 2dly s LYS 108 CO 0.00 0.05 1.12 -1.25 -0.76 0.00 0.00 175.35 174.51 2dly s PRO 109 N -2.12 3.15 1.09 -1.68 0.04 -1.26 -2.47 135.00 131.75 2dly s PRO 109 Ca -0.04 1.53 -0.12 0.00 0.04 0.00 0.00 61.00 62.41 2dly s PRO 109 Cb -0.07 -1.99 0.25 0.00 0.04 0.00 0.00 34.50 32.74 2dly s PRO 109 CO -0.00 -1.00 1.06 0.00 0.04 0.00 0.00 177.00 177.10 2dly s LEU 111 N -7.06 3.49 -0.23 0.00 1.43 -1.26 -4.65 118.68 110.40 2dly s LEU 111 Ca 0.68 -0.49 -0.03 0.00 -1.03 0.00 0.00 54.13 53.26 2dly s LEU 111 Cb -0.25 -2.42 0.01 0.00 0.03 0.00 0.00 46.19 43.56 2dly s LEU 111 CO 0.63 -0.94 -0.07 -0.54 0.23 0.00 0.00 176.35 175.66 2dly s LYS 112 N -4.47 3.13 0.28 1.70 3.01 -1.26 -4.93 119.74 117.20 2dly s LYS 112 Ca 0.57 -0.78 -0.21 0.00 -1.01 0.00 0.00 55.97 54.54 2dly s LYS 112 Cb -0.09 -2.95 -0.09 0.00 -1.01 0.00 0.00 37.83 33.69 2dly s LYS 112 CO 0.35 -0.28 0.80 0.42 0.51 0.00 0.00 175.35 177.16 2dly s ILE 113 N 1.40 4.47 -0.59 2.17 1.01 -1.26 -5.04 121.20 123.36 2dly s ILE 113 Ca 0.04 1.42 -0.07 0.00 0.00 0.00 0.00 60.65 62.03 2dly s ILE 113 Cb -0.15 -3.86 0.15 0.00 0.01 0.00 0.00 42.46 38.62 2dly s ILE 113 CO -0.05 0.11 0.45 -1.10 0.00 0.00 0.00 174.94 174.35 2dly s GLN 114 N -2.20 2.68 0.09 2.79 -0.21 -1.26 -5.07 119.66 116.48 2dly s GLN 114 Ca 0.48 -2.21 -0.00 0.00 0.02 0.00 0.00 55.36 53.64 2dly s GLN 114 Cb -0.16 -3.91 -0.04 0.00 1.00 0.00 0.00 33.01 29.90 2dly s GLN 114 CO 0.21 -1.19 0.25 0.14 -2.12 0.00 0.00 175.29 172.57 2dly s VAL 115 N 0.55 5.35 0.02 1.09 -7.23 -1.26 -5.12 120.40 113.79 2dly s VAL 115 Ca 0.13 -0.37 -0.08 0.00 -1.81 0.00 0.00 61.98 59.85 2dly s VAL 115 Cb -0.20 -3.65 -0.00 0.00 0.56 0.00 0.00 36.38 33.09 2dly s VAL 115 CO -0.04 0.09 0.15 -0.55 -0.31 0.00 0.00 175.10 174.44 2dly s SER 116 N -2.61 0.05 -0.16 4.85 0.15 -1.26 -5.04 113.70 109.68 2dly s SER 116 Ca 0.36 -0.30 -0.02 0.00 0.70 0.00 0.00 55.95 56.68 2dly s SER 116 Cb -0.13 0.23 0.01 0.00 -1.71 0.00 0.00 66.02 64.42 2dly s SER 116 CO 0.28 -0.44 0.05 0.61 1.20 0.00 0.00 173.24 174.93 2dly n GLY 117 N 1.13 -3.93 3.56 9.45 0.00 -1.26 -4.83 105.19 109.32 2dly n GLY 117 Ca -0.21 0.42 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 2dly n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dly s PRO 118 N -0.92 2.54 0.23 1.61 0.04 -1.26 -4.87 135.00 132.37 2dly s PRO 118 Ca -0.05 -0.46 -0.17 0.00 0.04 0.00 0.00 61.00 60.35 2dly s PRO 118 Cb 0.00 -5.10 0.02 0.00 0.04 0.00 0.00 34.50 29.46 2dly s PRO 118 CO 0.47 -3.50 0.56 -1.12 0.04 0.00 0.00 177.00 173.45 2dly s SER 119 N 7.73 -0.23 -0.17 6.66 0.01 -1.26 -5.08 113.70 121.36 2dly s SER 119 Ca 0.70 -0.60 -0.24 0.00 1.31 0.00 0.00 55.95 57.11 2dly s SER 119 Cb -0.05 0.62 -0.22 0.00 0.21 0.00 0.00 66.02 66.58 2dly s SER 119 CO 0.02 -1.15 0.49 -1.28 0.41 0.00 0.00 173.24 171.74 2dly h SER 120 N 2.16 0.00 0.00 2.44 0.87 -2.02 -3.53 113.55 113.47 2dly h SER 120 Ca -0.26 -0.74 0.00 0.00 -1.23 0.00 0.00 61.79 59.57 2dly h SER 120 Cb 1.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 2dly h SER 120 CO 0.33 1.17 0.00 0.61 -0.53 0.00 0.00 176.83 178.41