#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 1.49 0.13 1.61 1.04 -1.26 -5.05 113.70 111.66 2dly s SER 2 Ca 0.00 -0.24 -0.33 0.00 0.48 0.00 0.00 55.95 55.86 2dly s SER 2 Cb 0.00 -0.69 -0.11 0.00 0.10 0.00 0.00 66.02 65.32 2dly s SER 2 CO 0.00 0.00 1.55 0.28 0.98 0.00 0.00 173.24 176.05 2dly h SER 3 N 7.05 -1.83 0.00 7.02 0.02 -2.13 -3.47 113.55 120.21 2dly h SER 3 Ca -0.33 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2dly h SER 3 Cb 1.17 0.74 0.00 0.00 0.14 0.00 0.00 62.40 64.46 2dly h SER 3 CO 0.47 -0.42 0.00 0.61 -1.14 0.00 0.00 176.83 176.35 2dly n GLY 4 N -1.39 -0.79 3.95 -3.77 0.00 -1.26 -5.17 105.19 96.76 2dly n GLY 4 Ca -0.04 -0.72 -0.28 0.00 0.00 0.00 0.00 46.02 44.99 2dly n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dly s SER 5 N -4.00 3.56 -0.30 1.61 1.04 -1.26 -5.11 113.70 109.24 2dly s SER 5 Ca 0.00 0.11 -0.14 0.00 0.48 0.00 0.00 55.95 56.40 2dly s SER 5 Cb 0.00 -0.28 0.16 0.00 0.10 0.00 0.00 66.02 65.99 2dly s SER 5 CO 0.00 -2.43 0.93 -0.94 0.98 0.00 0.00 173.24 171.78 2dly s SER 6 N -4.83 -0.66 0.00 7.02 1.04 -1.26 -5.09 113.70 109.92 2dly s SER 6 Ca 0.71 0.93 0.00 0.00 0.48 0.00 0.00 55.95 58.07 2dly s SER 6 Cb -0.05 1.69 0.00 0.00 0.10 0.00 0.00 66.02 67.77 2dly s SER 6 CO 0.50 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 175.20 2dly n GLY 7 N 4.87 -2.17 3.64 7.32 0.00 -1.26 -5.13 105.19 112.46 2dly n GLY 7 Ca -0.11 -0.44 -0.04 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.21 0.29 4.61 0.00 -1.26 -5.02 121.76 118.17 2dly s ALA 8 Ca 0.00 1.95 0.27 0.00 0.00 0.00 0.00 51.96 54.17 2dly s ALA 8 Cb 0.00 -1.67 1.25 0.00 0.00 0.00 0.00 23.12 22.70 2dly s ALA 8 CO 0.00 -0.25 1.97 1.05 0.00 0.00 0.00 175.76 178.53 2dly h GLU 9 N 4.65 0.00 -5.05 0.00 4.11 -2.07 -3.41 114.58 112.82 2dly h GLU 9 Ca -0.28 0.00 -0.64 0.00 0.07 0.00 0.00 59.36 58.51 2dly h GLU 9 Cb 1.18 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.23 2dly h GLU 9 CO 0.17 0.16 -0.61 0.16 0.07 0.00 0.00 179.01 178.96 2dly s ASP 10 N -6.12 5.26 0.09 3.06 -4.77 -1.26 -4.96 116.67 107.98 2dly s ASP 10 Ca -0.01 -0.13 0.00 0.00 -3.30 0.00 0.00 52.55 49.11 2dly s ASP 10 Cb 0.12 -1.93 0.00 0.00 -1.09 0.00 0.00 42.92 40.02 2dly s ASP 10 CO 0.60 0.03 0.00 0.54 0.70 0.00 0.00 175.17 177.04 2dly n ARG 11 N 4.51 0.00 0.27 2.11 5.12 -1.26 -4.73 116.66 122.68 2dly n ARG 11 Ca -0.16 0.00 0.18 0.00 -1.93 0.00 0.00 57.85 55.94 2dly n ARG 11 Cb 0.52 -0.38 0.97 0.00 -1.16 0.00 0.00 32.46 32.41 2dly n ARG 11 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 2dly h SER 12 N 0.00 0.00 0.08 0.55 0.02 -1.98 -1.19 113.55 111.03 2dly h SER 12 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2dly h SER 12 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 2dly h SER 12 CO 0.00 0.00 -0.02 0.25 -1.14 0.00 0.00 176.83 175.92 2dly h LEU 13 N 0.00 0.00 -2.17 5.07 6.46 -1.97 -1.48 115.31 121.21 2dly h LEU 13 Ca 0.00 0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.79 2dly h LEU 13 Cb 0.01 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 39.93 2dly h LEU 13 CO 0.00 0.02 0.09 1.56 -0.62 0.00 0.00 178.44 179.49 2dly h GLN 14 N 0.00 0.00 0.00 1.25 4.20 -1.53 -0.01 115.11 119.01 2dly h GLN 14 Ca -0.00 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 2dly h GLN 14 Cb 0.07 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 2dly h GLN 14 CO 0.00 0.00 -0.38 0.00 -0.67 0.00 0.00 178.83 177.78 2dly h ALA 15 N 1.92 1.19 -1.81 3.87 0.00 -1.49 -3.45 119.26 119.49 2dly h ALA 15 Ca 0.05 -0.34 -0.65 0.00 0.00 0.00 0.00 54.91 53.97 2dly h ALA 15 Cb 0.24 -0.06 0.08 0.00 0.00 0.00 0.00 17.79 18.04 2dly h ALA 15 CO -0.00 0.47 0.33 0.39 0.00 0.00 0.00 179.25 180.45 2dly n GLU 16 N -3.82 1.26 -0.10 0.00 -0.58 -0.02 -4.89 120.64 112.49 2dly n GLU 16 Ca -0.01 0.45 -0.13 0.00 -0.42 0.00 0.00 57.16 57.04 2dly n GLU 16 Cb 0.45 -1.98 -0.04 0.00 -0.57 0.00 0.00 31.44 29.29 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 3.65 0.73 0.00 3.49 0.13 -1.88 -2.96 132.00 135.16 2dly h PRO 17 Ca -0.44 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.30 2dly h PRO 17 Cb 1.33 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2dly h PRO 17 CO 0.72 1.01 0.00 0.11 -0.23 0.00 0.00 178.00 179.61 2dly h TRP 18 N 0.49 0.00 -3.36 1.56 5.08 -1.83 -3.43 115.95 114.46 2dly h TRP 18 Ca 0.05 0.00 -0.57 0.00 1.08 0.00 0.00 58.89 59.45 2dly h TRP 18 Cb 0.88 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 26.98 2dly h TRP 18 CO 0.07 0.00 0.10 0.12 -1.28 0.00 0.00 178.44 177.45 2dly s PHE 19 N -3.31 3.54 -0.24 0.12 5.36 -1.12 -0.30 117.98 122.03 2dly s PHE 19 Ca 0.05 1.19 0.16 0.00 -0.96 0.00 0.00 56.93 57.37 2dly s PHE 19 Cb 0.10 -2.81 0.48 0.00 -0.34 0.00 0.00 43.02 40.45 2dly s PHE 19 CO 0.48 0.03 1.16 1.19 -1.46 0.00 0.00 175.22 176.62 2dly n PHE 20 N 4.04 1.62 0.00 10.12 3.01 -1.03 -4.81 117.46 130.42 2dly n PHE 20 Ca -0.01 -1.97 0.00 0.00 1.01 0.00 0.00 57.45 56.48 2dly n PHE 20 Cb 0.51 -0.27 0.00 0.00 -0.01 0.00 0.00 39.48 39.71 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 -0.59 3.17 3.11 1.37 0.00 -1.26 -3.92 105.19 107.07 2dly n GLY 21 Ca 0.23 0.14 -0.34 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.18 2.97 0.38 4.61 0.00 -1.26 -0.05 121.76 127.22 2dly s ALA 22 Ca 0.00 -2.26 0.04 0.00 0.00 0.00 0.00 51.96 49.74 2dly s ALA 22 Cb 0.00 -2.13 -0.05 0.00 0.00 0.00 0.00 23.12 20.94 2dly s ALA 22 CO 0.00 -1.58 0.07 0.96 0.00 0.00 0.00 175.76 175.21 2dly s ILE 23 N 1.12 1.06 0.29 0.00 -4.36 -1.25 -4.89 121.20 113.16 2dly s ILE 23 Ca 0.04 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.49 2dly s ILE 23 Cb -0.21 -2.61 -0.02 0.00 1.25 0.00 0.00 42.46 40.88 2dly s ILE 23 CO -0.04 0.00 0.40 -0.54 0.24 0.00 0.00 174.94 175.00 2dly s LYS 24 N -3.82 3.26 0.47 0.37 1.02 -1.26 -4.70 119.74 115.07 2dly s LYS 24 Ca 0.29 -0.90 0.21 0.00 0.02 0.00 0.00 55.97 55.60 2dly s LYS 24 Cb 0.06 -2.84 1.21 0.00 -0.52 0.00 0.00 37.83 35.75 2dly s LYS 24 CO 0.14 0.25 1.91 0.07 -0.92 0.00 0.00 175.35 176.80 2dly h ARG 25 N 1.06 0.25 -0.16 1.68 0.11 -1.99 0.47 114.38 115.79 2dly h ARG 25 Ca -0.49 -0.01 -0.04 0.00 0.10 0.00 0.00 59.98 59.53 2dly h ARG 25 Cb 1.24 -0.06 -0.00 0.00 1.11 0.00 0.00 29.97 32.26 2dly h ARG 25 CO 0.57 0.16 -0.07 0.00 0.10 0.00 0.00 179.97 180.73 2dly h ALA 26 N 1.63 0.23 -0.03 0.08 0.00 -1.98 0.55 119.26 119.74 2dly h ALA 26 Ca 0.39 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 2dly h ALA 26 Cb 1.14 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2dly h ALA 26 CO -0.09 0.03 -0.38 0.22 0.00 0.00 0.00 179.25 179.03 2dly h ASP 27 N 0.01 0.07 0.46 0.00 1.82 -1.54 -0.97 116.42 116.27 2dly h ASP 27 Ca 0.04 -0.03 -0.30 0.00 -0.39 0.00 0.00 57.03 56.35 2dly h ASP 27 Cb 0.54 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.54 2dly h ASP 27 CO 0.02 0.45 -1.47 0.00 -1.61 0.00 0.00 179.24 176.63 2dly h ALA 28 N 1.56 0.18 -0.06 -0.78 0.00 -0.88 -3.20 119.26 116.07 2dly h ALA 28 Ca 0.00 -1.03 -0.02 0.00 0.00 0.00 0.00 54.91 53.86 2dly h ALA 28 Cb 0.71 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 2dly h ALA 28 CO 0.05 1.05 -0.04 0.93 0.00 0.00 0.00 179.25 181.24 2dly h GLU 29 N 0.08 0.14 -0.73 0.00 5.08 0.24 -2.31 114.58 117.07 2dly h GLU 29 Ca -0.22 -0.07 0.09 0.00 -1.00 0.00 0.00 59.36 58.16 2dly h GLU 29 Cb 2.03 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 31.21 2dly h GLU 29 CO 0.19 0.55 0.39 1.57 -1.00 0.00 0.00 179.01 180.70 2dly h LYS 30 N -0.27 0.65 -0.17 2.33 2.10 -1.33 0.23 116.57 120.11 2dly h LYS 30 Ca 0.01 -0.04 -0.07 0.00 -2.00 0.00 0.00 60.65 58.55 2dly h LYS 30 Cb 0.51 -0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 31.69 2dly h LYS 30 CO 0.01 0.43 -0.21 1.96 -2.00 0.00 0.00 179.45 179.64 2dly h GLN 31 N 0.67 0.29 0.16 0.07 1.08 -1.54 -2.52 115.11 113.32 2dly h GLN 31 Ca 0.35 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 57.45 2dly h GLN 31 Cb 0.33 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 2dly h GLN 31 CO -0.25 0.50 -0.08 -0.07 -0.95 0.00 0.00 178.83 177.98 2dly h LEU 32 N 0.27 -0.18 -2.11 1.46 3.38 -0.53 -3.19 115.31 114.40 2dly h LEU 32 Ca 0.05 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2dly h LEU 32 Cb 0.53 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 2dly h LEU 32 CO 0.04 0.38 0.30 -0.07 0.09 0.00 0.00 178.44 179.18 2dly h LEU 33 N -0.94 0.00 -6.77 1.67 3.38 -0.62 -3.44 115.31 108.59 2dly h LEU 33 Ca -0.02 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.50 2dly h LEU 33 Cb 0.47 0.00 0.15 0.00 0.09 0.00 0.00 40.66 41.37 2dly h LEU 33 CO 0.04 0.00 -0.99 0.00 0.09 0.00 0.00 178.44 177.58 2dly n TYR 34 N -2.93 -2.57 0.00 1.13 9.36 -0.95 -4.88 117.16 116.32 2dly n TYR 34 Ca -0.02 0.26 0.00 0.00 3.32 0.00 0.00 57.90 61.46 2dly n TYR 34 Cb 0.35 -1.23 0.00 0.00 -0.63 0.00 0.00 39.34 37.83 2dly n TYR 34 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 2dly n SER 35 N 2.05 0.00 -0.26 2.98 7.64 -1.26 -3.19 113.62 121.58 2dly n SER 35 Ca 0.04 0.79 0.24 0.00 1.01 0.00 0.00 58.87 60.96 2dly n SER 35 Cb 0.37 -0.43 0.44 0.00 -1.01 0.00 0.00 64.21 63.58 2dly n SER 35 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2dly n GLU 36 N -1.79 -0.04 -2.70 1.43 -0.58 -1.26 -4.20 120.64 111.51 2dly n GLU 36 Ca 0.00 0.95 -0.38 0.00 -0.42 0.00 0.00 57.16 57.31 2dly n GLU 36 Cb 0.00 -1.76 -0.06 0.00 -0.57 0.00 0.00 31.44 29.05 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 -4.57 7.34 0.34 1.62 0.01 -1.19 -5.06 114.94 113.43 2dly s ASN 37 Ca -0.06 1.96 0.05 0.00 -0.71 0.00 0.00 52.86 54.10 2dly s ASN 37 Cb 0.23 -2.60 -0.03 0.00 0.41 0.00 0.00 41.25 39.27 2dly s ASN 37 CO 0.56 -0.07 0.20 0.00 -1.51 0.00 0.00 177.10 176.29 2dly s GLN 38 N -1.77 1.76 -0.44 -0.60 0.00 -1.26 -4.75 119.66 112.59 2dly s GLN 38 Ca 0.48 -2.03 -0.41 0.00 -0.00 0.00 0.00 55.36 53.40 2dly s GLN 38 Cb -0.23 -0.04 -0.17 0.00 0.00 0.00 0.00 33.01 32.56 2dly s GLN 38 CO 0.29 -0.55 1.59 2.41 0.00 0.00 0.00 175.29 179.03 2dly n THR 39 N -0.69 0.00 0.00 3.63 -1.04 -1.26 -1.45 114.28 113.46 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 0.64 -0.44 0.00 0.00 -1.82 0.00 0.00 70.33 68.71 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 4.69 2.72 3.44 3.41 0.00 0.07 -4.88 105.19 114.63 2dly n GLY 40 Ca 0.35 -0.69 -0.62 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.22 -2.44 4.61 0.00 -0.53 -3.84 120.51 118.09 2dly n ALA 41 Ca 0.00 0.28 -0.26 0.00 0.00 0.00 0.00 53.44 53.46 2dly n ALA 41 Cb 0.00 -2.07 -0.11 0.00 0.00 0.00 0.00 19.45 17.27 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 5.06 2.26 -0.29 0.00 -0.71 -0.99 -0.03 117.98 123.29 2dly s PHE 42 Ca 1.14 -0.36 -0.17 0.00 -1.04 0.00 0.00 56.93 56.49 2dly s PHE 42 Cb -1.44 -1.08 0.12 0.00 -1.21 0.00 0.00 43.02 39.42 2dly s PHE 42 CO 0.70 0.55 0.90 -0.48 -1.34 0.00 0.00 175.22 175.55 2dly s LEU 43 N -2.93 -0.62 -0.05 -1.99 0.05 -0.13 -0.76 118.68 112.25 2dly s LEU 43 Ca 0.23 1.02 -0.04 0.00 0.05 0.00 0.00 54.13 55.39 2dly s LEU 43 Cb -0.07 1.95 -0.04 0.00 -2.05 0.00 0.00 46.19 45.98 2dly s LEU 43 CO 0.11 -0.16 0.15 -0.63 -0.55 0.00 0.00 176.35 175.27 2dly s ILE 44 N 1.26 5.36 0.05 1.48 1.09 0.59 -0.20 121.20 130.83 2dly s ILE 44 Ca -0.08 -0.05 -0.00 0.00 -1.10 0.00 0.00 60.65 59.42 2dly s ILE 44 Cb -0.04 -3.43 -0.04 0.00 -1.06 0.00 0.00 42.46 37.89 2dly s ILE 44 CO -0.15 0.44 -0.04 0.00 -0.10 0.00 0.00 174.94 175.10 2dly s ARG 45 N -1.56 0.56 0.18 2.79 1.70 -0.19 -2.47 118.95 119.98 2dly s ARG 45 Ca 0.22 -1.08 -0.26 0.00 -0.47 0.00 0.00 55.73 54.14 2dly s ARG 45 Cb -0.12 0.13 -0.08 0.00 -0.57 0.00 0.00 34.95 34.30 2dly s ARG 45 CO 0.12 -0.08 0.81 -1.21 -1.08 0.00 0.00 175.30 173.87 2dly s GLU 46 N -3.27 4.64 -0.75 3.89 2.02 0.93 0.27 118.70 126.43 2dly s GLU 46 Ca 0.02 1.23 -0.23 0.00 0.02 0.00 0.00 54.97 56.01 2dly s GLU 46 Cb 0.03 -3.27 0.07 0.00 0.10 0.00 0.00 34.13 31.07 2dly s GLU 46 CO -0.07 0.56 1.10 0.45 0.02 0.00 0.00 175.26 177.32 2dly s SER 47 N -1.16 6.28 0.33 -0.19 0.15 -1.23 -4.03 113.70 113.86 2dly s SER 47 Ca 0.37 -1.11 0.24 0.00 0.70 0.00 0.00 55.95 56.15 2dly s SER 47 Cb -0.24 -2.46 1.12 0.00 -1.71 0.00 0.00 66.02 62.73 2dly s SER 47 CO 0.28 -1.46 1.17 -1.84 1.20 0.00 0.00 173.24 172.59 2dly n GLU 48 N 7.94 -0.03 -0.26 5.44 0.28 -1.26 -0.68 120.64 132.06 2dly n GLU 48 Ca 0.06 0.94 -0.07 0.00 -0.16 0.00 0.00 57.16 57.92 2dly n GLU 48 Cb 0.47 -1.85 -0.06 0.00 1.43 0.00 0.00 31.44 31.43 2dly n GLU 48 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 2dly h SER 49 N 0.00 -1.39 -4.11 -1.84 0.02 -2.00 -3.42 113.55 100.80 2dly h SER 49 Ca 0.66 0.21 -0.31 0.00 -0.84 0.00 0.00 61.79 61.51 2dly h SER 49 Cb 2.13 0.61 -0.15 0.00 0.14 0.00 0.00 62.40 65.14 2dly h SER 49 CO -0.35 -0.15 -0.71 -1.58 -1.14 0.00 0.00 176.83 172.90 2dly s GLN 50 N -4.61 1.02 0.06 3.45 0.74 0.14 -5.14 119.66 115.32 2dly s GLN 50 Ca -0.08 -1.44 -0.25 0.00 0.05 0.00 0.00 55.36 53.64 2dly s GLN 50 Cb 0.07 -0.53 -0.06 0.00 1.10 0.00 0.00 33.01 33.60 2dly s GLN 50 CO 0.40 0.04 0.78 0.21 -0.55 0.00 0.00 175.29 176.17 2dly s LYS 51 N -3.77 4.51 0.00 1.67 2.36 -1.26 -3.89 119.74 119.36 2dly s LYS 51 Ca 0.16 1.09 0.00 0.00 -2.55 0.00 0.00 55.97 54.68 2dly s LYS 51 Cb 0.03 -3.36 0.00 0.00 -1.05 0.00 0.00 37.83 33.46 2dly s LYS 51 CO -0.00 0.30 0.00 0.41 1.55 0.00 0.00 175.35 177.61 2dly n GLY 52 N 2.32 2.80 3.62 5.54 0.00 -1.26 -5.07 105.19 113.15 2dly n GLY 52 Ca -0.02 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 2dly n GLY 52 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2dly s ASP 53 N 0.14 2.37 0.03 1.61 1.47 -1.25 -4.98 116.67 116.06 2dly s ASP 53 Ca 0.00 1.99 -0.17 0.00 1.18 0.00 0.00 52.55 55.55 2dly s ASP 53 Cb 0.00 -2.50 0.03 0.00 -0.34 0.00 0.00 42.92 40.12 2dly s ASP 53 CO 0.00 -3.42 0.38 -0.36 0.68 0.00 0.00 175.17 172.46 2dly s PHE 54 N -2.60 -0.23 -0.06 2.11 0.08 -1.25 -3.48 117.98 112.55 2dly s PHE 54 Ca 0.67 0.20 0.00 0.00 0.12 0.00 0.00 56.93 57.93 2dly s PHE 54 Cb -0.23 0.18 0.02 0.00 -0.57 0.00 0.00 43.02 42.42 2dly s PHE 54 CO 0.60 -0.53 -0.04 -1.12 -0.10 0.00 0.00 175.22 174.02 2dly s SER 55 N -1.90 1.37 -0.31 1.36 0.01 0.14 -1.26 113.70 113.11 2dly s SER 55 Ca -0.06 -0.16 -0.18 0.00 1.31 0.00 0.00 55.95 56.86 2dly s SER 55 Cb -0.01 -0.54 -0.02 0.00 0.21 0.00 0.00 66.02 65.66 2dly s SER 55 CO -0.01 -0.09 0.52 -0.22 0.41 0.00 0.00 173.24 173.85 2dly s LEU 56 N 1.28 4.19 -0.34 2.44 2.96 -0.31 -1.02 118.68 127.88 2dly s LEU 56 Ca -0.05 0.25 -0.06 0.00 -0.22 0.00 0.00 54.13 54.06 2dly s LEU 56 Cb -0.14 -2.63 0.04 0.00 0.50 0.00 0.00 46.19 43.97 2dly s LEU 56 CO -0.02 -0.39 0.10 -0.44 -1.32 0.00 0.00 176.35 174.28 2dly s SER 57 N 1.66 5.27 0.13 3.68 0.01 0.72 -0.92 113.70 124.26 2dly s SER 57 Ca 0.20 -1.21 0.08 0.00 1.31 0.00 0.00 55.95 56.33 2dly s SER 57 Cb -0.15 -1.85 -0.04 0.00 0.21 0.00 0.00 66.02 64.19 2dly s SER 57 CO 0.11 -0.33 -0.09 -0.69 0.41 0.00 0.00 173.24 172.65 2dly s VAL 58 N 1.37 3.35 -0.15 3.43 1.01 -1.14 -0.96 120.40 127.31 2dly s VAL 58 Ca -0.02 -1.40 -0.12 0.00 0.00 0.00 0.00 61.98 60.44 2dly s VAL 58 Cb -0.20 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.52 2dly s VAL 58 CO 0.02 0.02 0.25 -0.22 0.00 0.00 0.00 175.10 175.17 2dly s LEU 59 N -2.48 4.27 -0.46 3.92 2.96 0.96 -1.21 118.68 126.64 2dly s LEU 59 Ca 0.23 0.48 0.03 0.00 -0.22 0.00 0.00 54.13 54.65 2dly s LEU 59 Cb -0.10 -2.30 0.16 0.00 0.50 0.00 0.00 46.19 44.45 2dly s LEU 59 CO 0.15 0.16 0.34 -0.62 -1.32 0.00 0.00 176.35 175.06 2dly s ASP 60 N 0.18 2.54 -0.67 3.68 2.15 0.91 -0.76 116.67 124.71 2dly s ASP 60 Ca 0.15 -3.04 -0.03 0.00 0.43 0.00 0.00 52.55 50.07 2dly s ASP 60 Cb -0.13 -0.73 0.00 0.00 -0.30 0.00 0.00 42.92 41.77 2dly s ASP 60 CO 0.03 -0.19 0.57 -0.62 -0.17 0.00 0.00 175.17 174.80 2dly n GLU 61 N 2.94 -3.84 0.00 4.34 1.02 -1.26 -2.82 120.64 121.01 2dly n GLU 61 Ca 0.23 0.44 0.00 0.00 -0.02 0.00 0.00 57.16 57.81 2dly n GLU 61 Cb 0.42 -4.26 0.00 0.00 -0.02 0.00 0.00 31.44 27.58 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 -1.19 2.03 3.91 0.62 0.00 -1.26 -5.03 105.19 104.27 2dly n GLY 62 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.52 5.07 -0.30 1.61 0.11 -1.13 -4.83 120.40 118.41 2dly s VAL 63 Ca 0.00 -0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.04 2dly s VAL 63 Cb 0.00 -3.72 0.07 0.00 -1.53 0.00 0.00 36.38 31.20 2dly s VAL 63 CO 0.00 -0.24 -0.01 -0.69 -3.33 0.00 0.00 175.10 170.83 2dly s VAL 64 N -1.98 2.67 -0.47 2.04 1.01 -1.26 -0.06 120.40 122.35 2dly s VAL 64 Ca 0.43 -1.66 -0.23 0.00 0.00 0.00 0.00 61.98 60.51 2dly s VAL 64 Cb -0.11 -2.63 0.03 0.00 0.00 0.00 0.00 36.38 33.67 2dly s VAL 64 CO 0.29 -0.21 0.83 -0.54 0.00 0.00 0.00 175.10 175.46 2dly s LYS 65 N 1.15 3.40 -0.46 2.72 3.01 -0.35 -4.91 119.74 124.30 2dly s LYS 65 Ca -0.03 -0.12 -0.26 0.00 -1.01 0.00 0.00 55.97 54.55 2dly s LYS 65 Cb -0.20 -3.96 0.03 0.00 -1.01 0.00 0.00 37.83 32.68 2dly s LYS 65 CO -0.04 -1.20 0.94 -1.01 0.51 0.00 0.00 175.35 174.55 2dly s HIS 66 N 3.45 2.92 -0.31 3.18 3.76 -1.26 -2.90 115.29 124.13 2dly s HIS 66 Ca 0.30 0.43 -0.08 0.00 -0.15 0.00 0.00 55.06 55.56 2dly s HIS 66 Cb -0.12 -3.98 0.00 0.00 1.11 0.00 0.00 32.58 29.59 2dly s HIS 66 CO 0.22 -1.09 0.12 0.71 -0.85 0.00 0.00 174.74 173.85 2dly s TYR 67 N 3.78 3.17 -0.05 1.40 2.02 -0.09 -4.97 117.35 122.60 2dly s TYR 67 Ca 0.38 -0.81 -0.30 0.00 -0.37 0.00 0.00 57.07 55.97 2dly s TYR 67 Cb -0.10 -2.31 -0.05 0.00 -0.40 0.00 0.00 41.96 39.10 2dly s TYR 67 CO 0.26 -0.53 1.61 0.50 -1.57 0.00 0.00 175.55 175.82 2dly s ARG 68 N 1.55 4.19 -0.63 -0.62 6.06 -1.26 -1.16 118.95 127.08 2dly s ARG 68 Ca 0.03 2.15 -0.20 0.00 -2.50 0.00 0.00 55.73 55.21 2dly s ARG 68 Cb -0.17 -3.93 0.10 0.00 0.06 0.00 0.00 34.95 31.01 2dly s ARG 68 CO 0.04 -0.82 0.79 0.42 -2.50 0.00 0.00 175.30 173.24 2dly s ILE 69 N 3.85 4.72 0.42 4.11 1.01 -0.39 -4.74 121.20 130.17 2dly s ILE 69 Ca 0.72 -0.93 -0.15 0.00 0.00 0.00 0.00 60.65 60.29 2dly s ILE 69 Cb -0.33 -4.55 -0.08 0.00 0.01 0.00 0.00 42.46 37.51 2dly s ILE 69 CO 0.28 -1.23 0.85 -0.13 0.00 0.00 0.00 174.94 174.72 2dly s ARG 70 N 2.93 3.96 0.22 2.79 1.81 -0.86 -3.81 118.95 125.99 2dly s ARG 70 Ca 0.15 0.76 0.10 0.00 -1.72 0.00 0.00 55.73 55.02 2dly s ARG 70 Cb -0.21 -2.30 -0.04 0.00 -0.45 0.00 0.00 34.95 31.95 2dly s ARG 70 CO 0.06 -0.04 -0.11 1.03 -0.68 0.00 0.00 175.30 175.56 2dly s ARG 71 N -3.56 1.99 0.52 3.54 0.52 -1.26 -0.79 118.95 119.91 2dly s ARG 71 Ca 0.56 -1.41 0.06 0.00 -0.52 0.00 0.00 55.73 54.42 2dly s ARG 71 Cb -0.10 -2.06 0.06 0.00 0.52 0.00 0.00 34.95 33.37 2dly s ARG 71 CO 0.24 0.40 0.54 1.28 0.02 0.00 0.00 175.30 177.78 2dly n LEU 72 N -0.27 0.00 -0.30 2.53 7.99 -0.66 -4.98 117.00 121.31 2dly n LEU 72 Ca -0.09 -2.48 0.09 0.00 -0.01 0.00 0.00 56.01 53.52 2dly n LEU 72 Cb 0.57 -0.20 -0.03 0.00 -0.11 0.00 0.00 43.42 43.66 2dly n LEU 72 CO 0.36 -0.62 0.19 -0.67 -1.51 0.00 0.00 177.39 175.14 2dly n ASP 73 N -2.09 1.51 0.00 -1.43 2.03 -1.26 -4.63 116.55 110.68 2dly n ASP 73 Ca 0.06 -1.25 0.00 0.00 0.52 0.00 0.00 54.79 54.11 2dly n ASP 73 Cb 0.56 0.62 0.00 0.00 -0.72 0.00 0.00 41.12 41.58 2dly n ASP 73 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2dly n GLU 74 N -0.44 0.00 0.00 -0.67 0.28 -1.26 -5.04 120.64 113.51 2dly n GLU 74 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.06 2dly n GLU 74 Cb 0.35 -0.73 0.00 0.00 1.43 0.00 0.00 31.44 32.50 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 2.86 1.65 0.00 -1.84 0.00 -1.26 -5.12 105.19 101.48 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 4.88 -0.70 3.47 -0.02 0.00 -0.92 -4.84 105.19 107.05 2dly n GLY 76 Ca 0.00 0.55 -0.32 0.00 0.00 0.00 0.00 46.02 46.25 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 0.74 2.62 -0.17 1.61 0.08 -0.78 -1.66 117.98 120.41 2dly s PHE 77 Ca 0.00 -0.21 -0.11 0.00 0.12 0.00 0.00 56.93 56.73 2dly s PHE 77 Cb 0.00 -1.54 0.06 0.00 -0.57 0.00 0.00 43.02 40.97 2dly s PHE 77 CO 0.00 0.22 0.43 -0.59 -0.10 0.00 0.00 175.22 175.18 2dly s PHE 78 N -0.85 -0.60 -0.58 0.36 -0.71 0.03 0.31 117.98 115.94 2dly s PHE 78 Ca 0.14 1.30 0.23 0.00 -1.04 0.00 0.00 56.93 57.56 2dly s PHE 78 Cb -0.11 0.27 0.18 0.00 -1.21 0.00 0.00 43.02 42.15 2dly s PHE 78 CO 0.04 -0.33 1.16 -0.11 -1.34 0.00 0.00 175.22 174.63 2dly n LEU 79 N 4.03 0.66 -3.66 -1.99 7.94 -1.26 -2.02 117.00 120.69 2dly n LEU 79 Ca -0.22 0.13 -0.07 0.00 -1.11 0.00 0.00 56.01 54.74 2dly n LEU 79 Cb 0.56 -0.13 -0.08 0.00 0.53 0.00 0.00 43.42 44.30 2dly n LEU 79 CO 0.08 -0.02 0.18 0.28 -1.11 0.00 0.00 177.39 176.81 2dly s THR 80 N -3.20 -0.36 0.58 1.96 -1.32 -1.25 -4.89 115.64 107.16 2dly s THR 80 Ca 0.04 0.06 0.37 0.00 -1.21 0.00 0.00 61.69 60.96 2dly s THR 80 Cb 0.13 -0.83 0.55 0.00 -1.51 0.00 0.00 72.50 70.84 2dly s THR 80 CO 0.76 0.02 1.47 -0.09 -2.21 0.00 0.00 174.62 174.58 2dly h ARG 81 N 7.49 0.00 -0.47 7.08 9.65 -2.01 0.77 114.38 136.91 2dly h ARG 81 Ca -0.26 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 58.64 2dly h ARG 81 Cb 1.16 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.72 2dly h ARG 81 CO 0.17 0.00 0.28 0.00 2.80 0.00 0.00 179.97 183.23 2dly h ARG 82 N 0.00 0.56 -5.52 0.20 2.47 -2.00 -3.43 114.38 106.66 2dly h ARG 82 Ca 0.67 -0.03 -0.46 0.00 -1.26 0.00 0.00 59.98 58.89 2dly h ARG 82 Cb 3.15 -0.13 -0.23 0.00 -1.65 0.00 0.00 29.97 31.12 2dly h ARG 82 CO -0.01 0.37 -0.80 0.21 0.56 0.00 0.00 179.97 180.30 2dly s LYS 83 N -6.15 0.95 0.05 0.04 2.47 0.27 -5.16 119.74 112.21 2dly s LYS 83 Ca -0.13 -0.91 0.01 0.00 -1.56 0.00 0.00 55.97 53.38 2dly s LYS 83 Cb 0.12 -1.01 -0.03 0.00 -1.46 0.00 0.00 37.83 35.45 2dly s LYS 83 CO 0.73 0.24 -0.05 0.08 0.16 0.00 0.00 175.35 176.51 2dly s VAL 84 N -1.05 0.36 0.31 4.02 1.01 -1.26 -3.87 120.40 119.93 2dly s VAL 84 Ca 0.01 -1.34 0.03 0.00 0.00 0.00 0.00 61.98 60.69 2dly s VAL 84 Cb -0.09 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 2dly s VAL 84 CO 0.02 -0.64 0.12 0.49 0.00 0.00 0.00 175.10 175.09 2dly n PHE 85 N 0.94 0.04 -0.09 5.22 3.72 0.15 -4.99 117.46 122.45 2dly n PHE 85 Ca -0.19 -2.06 -0.18 0.00 -0.05 0.00 0.00 57.45 54.96 2dly n PHE 85 Cb 0.57 0.02 -0.06 0.00 -0.94 0.00 0.00 39.48 39.07 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 -1.67 1.46 -4.41 4.37 7.64 -1.26 -1.87 113.62 117.88 2dly n SER 86 Ca -0.04 0.25 -0.21 0.00 1.01 0.00 0.00 58.87 59.88 2dly n SER 86 Cb 0.48 -0.59 -0.10 0.00 -1.01 0.00 0.00 64.21 62.99 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 -2.42 2.05 0.58 0.44 -4.23 -1.26 -3.71 115.64 107.08 2dly s THR 87 Ca -0.26 -2.29 0.29 0.00 -1.18 0.00 0.00 61.69 58.25 2dly s THR 87 Cb 0.09 -2.20 0.40 0.00 1.34 0.00 0.00 72.50 72.13 2dly s THR 87 CO 0.34 -0.48 1.89 -0.07 -0.54 0.00 0.00 174.62 175.76 2dly h LEU 88 N 2.40 0.00 0.87 4.79 3.38 -1.97 -1.70 115.31 123.08 2dly h LEU 88 Ca -0.39 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.54 2dly h LEU 88 Cb 1.24 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.00 2dly h LEU 88 CO 0.62 0.00 -0.42 -1.13 0.09 0.00 0.00 178.44 177.60 2dly h ASN 89 N 0.00 -0.99 0.40 -0.43 -0.00 -2.00 -2.60 115.58 109.96 2dly h ASN 89 Ca 0.26 0.03 0.00 0.00 -0.00 0.00 0.00 56.30 56.60 2dly h ASN 89 Cb 1.31 0.26 0.00 0.00 -0.00 0.00 0.00 38.32 39.88 2dly h ASN 89 CO -0.00 -0.64 0.00 -0.33 -0.00 0.00 0.00 177.43 176.46 2dly h GLU 90 N -1.30 0.00 -0.21 6.67 5.08 -1.75 0.65 114.58 123.71 2dly h GLU 90 Ca -0.12 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.08 2dly h GLU 90 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 2dly h GLU 90 CO 0.20 0.00 -0.50 0.35 -1.00 0.00 0.00 179.01 178.06 2dly h PHE 91 N 0.00 0.91 0.06 4.33 3.04 -1.00 -3.14 116.94 121.14 2dly h PHE 91 Ca 0.00 -0.34 -0.34 0.00 3.98 0.00 0.00 57.97 61.27 2dly h PHE 91 Cb 0.20 -0.16 -0.04 0.00 2.56 0.00 0.00 35.95 38.51 2dly h PHE 91 CO 0.00 1.14 -1.96 0.28 -2.02 0.00 0.00 178.31 175.74 2dly n VAL 92 N -4.14 1.66 0.08 1.41 0.31 -0.94 -3.67 118.33 113.05 2dly n VAL 92 Ca -0.06 -0.72 0.06 0.00 -0.01 0.00 0.00 64.34 63.61 2dly n VAL 92 Cb 0.59 -1.35 0.30 0.00 -0.91 0.00 0.00 33.84 32.48 2dly n VAL 92 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2dly n ASN 93 N -3.24 0.29 -0.09 4.52 3.02 0.18 -0.87 115.26 119.06 2dly n ASN 93 Ca -0.28 0.63 -0.10 0.00 -0.03 0.00 0.00 54.58 54.81 2dly n ASN 93 Cb 1.05 -0.67 -0.04 0.00 -0.61 0.00 0.00 39.78 39.52 2dly n ASN 93 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dly n TYR 94 N -1.89 0.38 0.24 3.10 4.19 -1.19 -4.34 117.16 117.66 2dly n TYR 94 Ca -0.01 0.17 0.14 0.00 3.31 0.00 0.00 57.90 61.51 2dly n TYR 94 Cb 0.02 -0.68 0.74 0.00 0.49 0.00 0.00 39.34 39.91 2dly n TYR 94 CO 0.00 0.00 0.00 1.88 0.91 0.00 0.00 176.86 179.65 2dly h TYR 95 N -1.00 0.00 0.00 2.98 0.05 -1.59 -1.21 116.97 116.21 2dly h TYR 95 Ca -0.09 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.69 2dly h TYR 95 Cb 0.91 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.65 2dly h TYR 95 CO -0.30 0.00 0.00 1.79 -1.05 0.00 0.00 178.16 178.60 2dly h THR 96 N 0.00 0.00 0.04 -2.88 1.35 -1.19 -2.62 112.91 107.61 2dly h THR 96 Ca 0.00 -0.23 -0.33 0.00 -0.55 0.00 0.00 66.41 65.30 2dly h THR 96 Cb 0.07 1.03 -0.05 0.00 -1.73 0.00 0.00 68.15 67.47 2dly h THR 96 CO 0.00 0.00 -1.96 0.35 -0.25 0.00 0.00 175.52 173.66 2dly n THR 97 N -2.61 1.62 -3.93 6.82 -2.24 -0.46 -4.76 114.28 108.73 2dly n THR 97 Ca 0.00 -0.75 -0.08 0.00 -2.27 0.00 0.00 64.05 60.95 2dly n THR 97 Cb 0.19 -1.19 -0.03 0.00 -2.10 0.00 0.00 70.33 67.20 2dly n THR 97 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2dly s THR 98 N -2.56 0.00 -0.60 4.28 -1.32 -0.99 -5.07 115.64 109.38 2dly s THR 98 Ca -0.13 -1.21 0.02 0.00 -1.21 0.00 0.00 61.69 59.16 2dly s THR 98 Cb 0.07 -2.15 0.40 0.00 -1.51 0.00 0.00 72.50 69.31 2dly s THR 98 CO 0.79 0.00 1.49 -1.54 -2.21 0.00 0.00 174.62 173.15 2dly n SER 99 N -0.48 5.88 -4.53 8.08 3.41 -1.26 -4.40 113.62 120.33 2dly n SER 99 Ca -0.03 -3.77 -0.32 0.00 -0.26 0.00 0.00 58.87 54.50 2dly n SER 99 Cb 0.60 -0.70 -0.11 0.00 -0.26 0.00 0.00 64.21 63.74 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 -0.53 0.87 0.00 4.04 -0.08 -1.26 -1.53 116.55 118.07 2dly n ASP 100 Ca 0.46 -0.44 0.00 0.00 -1.51 0.00 0.00 54.79 53.29 2dly n ASP 100 Cb 0.51 -1.19 0.00 0.00 2.34 0.00 0.00 41.12 42.78 2dly n ASP 100 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dly n GLY 101 N 6.22 2.22 3.68 0.27 0.00 -1.26 -5.01 105.19 111.32 2dly n GLY 101 Ca 0.54 -0.46 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 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 5.04 -0.21 0.99 4.77 -0.58 -4.90 117.00 122.11 2dly n LEU 102 Ca 0.00 0.83 -0.00 0.00 -0.03 0.00 0.00 56.01 56.81 2dly n LEU 102 Cb 0.00 -1.49 0.23 0.00 -2.33 0.00 0.00 43.42 39.84 2dly n LEU 102 CO 0.00 -1.34 1.20 0.00 -1.33 0.00 0.00 177.39 175.92 2dly s VAL 104 N -5.77 0.21 -0.09 0.00 0.11 -1.26 -5.08 120.40 108.52 2dly s VAL 104 Ca -0.11 -1.69 -0.20 0.00 -2.93 0.00 0.00 61.98 57.06 2dly s VAL 104 Cb 0.17 -1.45 -0.04 0.00 -1.53 0.00 0.00 36.38 33.53 2dly s VAL 104 CO 0.79 -0.93 0.54 -0.75 -3.33 0.00 0.00 175.10 171.42 2dly s LYS 105 N -3.82 4.34 -0.07 1.54 2.20 -1.26 -4.69 119.74 117.98 2dly s LYS 105 Ca 0.06 0.59 -0.30 0.00 -0.36 0.00 0.00 55.97 55.96 2dly s LYS 105 Cb 0.07 -3.42 -0.08 0.00 -1.51 0.00 0.00 37.83 32.89 2dly s LYS 105 CO -0.10 0.19 2.06 1.28 -0.36 0.00 0.00 175.35 178.42 2dly n LEU 106 N 3.49 3.73 -0.01 5.43 4.77 -1.21 -4.77 117.00 128.43 2dly n LEU 106 Ca -0.06 0.65 -0.01 0.00 -0.03 0.00 0.00 56.01 56.56 2dly n LEU 106 Cb 0.51 -1.51 -0.00 0.00 -2.33 0.00 0.00 43.42 40.09 2dly n LEU 106 CO 0.44 -0.15 -0.08 -0.62 -1.33 0.00 0.00 177.39 175.65 2dly n GLU 107 N 7.90 0.07 -4.05 3.23 -0.58 -1.25 -4.30 120.64 121.65 2dly n GLU 107 Ca 0.24 0.11 -0.12 0.00 -0.42 0.00 0.00 57.16 56.98 2dly n GLU 107 Cb 0.40 -0.71 -0.11 0.00 -0.57 0.00 0.00 31.44 30.45 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 -1.23 0.51 0.42 3.49 -0.14 -1.26 -5.05 119.74 116.48 2dly s LYS 108 Ca -0.03 -0.79 -0.24 0.00 -1.36 0.00 0.00 55.97 53.54 2dly s LYS 108 Cb 0.00 -0.18 -0.08 0.00 -1.68 0.00 0.00 37.83 35.90 2dly s LYS 108 CO 0.05 0.02 1.18 -1.25 -0.76 0.00 0.00 175.35 174.59 2dly s PRO 109 N -1.83 3.93 0.48 -1.68 0.04 -1.26 -2.34 135.00 132.34 2dly s PRO 109 Ca -0.09 1.85 -0.24 0.00 0.04 0.00 0.00 61.00 62.56 2dly s PRO 109 Cb -0.08 -2.58 -0.07 0.00 0.04 0.00 0.00 34.50 31.81 2dly s PRO 109 CO -0.01 -0.43 1.40 0.00 0.04 0.00 0.00 177.00 178.00 2dly s LEU 111 N -3.00 3.53 -0.83 0.00 1.43 -1.26 -4.61 118.68 113.93 2dly s LEU 111 Ca 0.65 2.43 -0.11 0.00 -1.03 0.00 0.00 54.13 56.07 2dly s LEU 111 Cb -0.42 -4.60 0.22 0.00 0.03 0.00 0.00 46.19 41.41 2dly s LEU 111 CO 0.53 -1.90 0.75 -0.54 0.23 0.00 0.00 176.35 175.41 2dly s LYS 112 N -3.54 3.47 0.30 1.70 1.02 -1.26 -4.96 119.74 116.48 2dly s LYS 112 Ca 0.78 -2.62 -0.20 0.00 0.02 0.00 0.00 55.97 53.94 2dly s LYS 112 Cb -0.32 -4.29 -0.09 0.00 -0.52 0.00 0.00 37.83 32.62 2dly s LYS 112 CO 0.39 -1.26 0.81 0.42 -0.92 0.00 0.00 175.35 174.79 2dly s ILE 113 N -0.16 4.49 -0.69 2.17 1.09 -1.26 -4.99 121.20 121.85 2dly s ILE 113 Ca 0.20 1.35 0.00 0.00 -1.10 0.00 0.00 60.65 61.10 2dly s ILE 113 Cb -0.12 -3.79 0.38 0.00 -1.06 0.00 0.00 42.46 37.88 2dly s ILE 113 CO -0.08 0.01 1.73 0.00 -0.10 0.00 0.00 174.94 176.50 2dly n GLN 114 N 0.19 2.98 -3.68 2.79 10.64 -1.26 -4.89 117.38 124.15 2dly n GLN 114 Ca 0.02 -3.81 -0.25 0.00 -1.83 0.00 0.00 57.00 51.12 2dly n GLN 114 Cb 0.52 -2.27 -0.06 0.00 -0.86 0.00 0.00 30.24 27.57 2dly n GLN 114 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.06 176.78 2dly n VAL 115 N -0.56 -0.36 -3.50 -0.39 3.14 -1.26 -4.84 118.33 110.56 2dly n VAL 115 Ca 0.50 -0.18 -0.42 0.00 -2.96 0.00 0.00 64.34 61.28 2dly n VAL 115 Cb 0.42 -0.52 -0.09 0.00 -1.06 0.00 0.00 33.84 32.60 2dly n VAL 115 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 2dly s SER 116 N -3.28 5.86 0.00 6.55 0.15 -1.26 -5.00 113.70 116.73 2dly s SER 116 Ca 0.28 -1.52 0.00 0.00 0.70 0.00 0.00 55.95 55.41 2dly s SER 116 Cb -0.16 -2.07 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 2dly s SER 116 CO 0.70 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 175.13 2dly n GLY 117 N 5.04 3.33 0.00 9.45 0.00 -1.26 -4.98 105.19 116.77 2dly n GLY 117 Ca -0.11 -0.15 0.06 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.74 0.49 -1.28 1.61 -0.04 -1.26 -4.88 135.00 128.90 2dly n PRO 118 Ca 0.00 0.00 -0.50 0.00 -0.04 0.00 0.00 63.50 62.96 2dly n PRO 118 Cb 0.00 -1.40 -0.07 0.00 -0.04 0.00 0.00 33.50 31.99 2dly n PRO 118 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dly n SER 119 N -0.90 0.34 -4.62 3.54 7.64 -1.26 -4.78 113.62 113.58 2dly n SER 119 Ca 0.09 0.94 -0.41 0.00 1.01 0.00 0.00 58.87 60.51 2dly n SER 119 Cb 0.04 -0.73 0.02 0.00 -1.01 0.00 0.00 64.21 62.53 2dly n SER 119 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dly n SER 120 N 1.92 1.31 0.00 6.43 7.64 -1.26 -5.20 113.62 124.45 2dly n SER 120 Ca 0.19 1.00 0.00 0.00 1.01 0.00 0.00 58.87 61.07 2dly n SER 120 Cb 0.02 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 61.85 2dly n SER 120 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64