#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 6.26 -0.74 1.61 0.01 -1.26 -5.00 113.70 114.58 2dly s SER 2 Ca 0.00 -0.73 -0.27 0.00 1.31 0.00 0.00 55.95 56.26 2dly s SER 2 Cb 0.00 -2.35 0.03 0.00 0.21 0.00 0.00 66.02 63.91 2dly s SER 2 CO 0.00 -1.06 1.29 -0.94 0.41 0.00 0.00 173.24 172.94 2dly s SER 3 N 2.84 6.15 0.00 2.44 1.04 -1.26 -4.36 113.70 120.56 2dly s SER 3 Ca 0.21 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.19 2dly s SER 3 Cb -0.17 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.39 2dly s SER 3 CO 0.14 -1.84 0.00 0.61 0.98 0.00 0.00 173.24 173.13 2dly n GLY 4 N 5.40 -0.41 3.39 7.32 0.00 -1.26 -5.11 105.19 114.51 2dly n GLY 4 Ca 0.03 0.03 -0.45 0.00 0.00 0.00 0.00 46.02 45.64 2dly n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dly s SER 5 N 0.00 6.40 0.43 1.61 0.01 -1.26 -5.04 113.70 115.85 2dly s SER 5 Ca 0.00 -1.78 -0.14 0.00 1.31 0.00 0.00 55.95 55.34 2dly s SER 5 Cb 0.00 -2.32 -0.08 0.00 0.21 0.00 0.00 66.02 63.83 2dly s SER 5 CO 0.00 -1.03 0.84 -0.44 0.41 0.00 0.00 173.24 173.02 2dly s SER 6 N 3.37 6.62 0.00 2.44 0.01 -1.26 -4.84 113.70 120.05 2dly s SER 6 Ca 0.19 1.33 0.00 0.00 1.31 0.00 0.00 55.95 58.77 2dly s SER 6 Cb -0.16 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2dly s SER 6 CO -0.00 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 173.84 2dly n GLY 7 N -1.18 1.58 3.13 3.44 0.00 -1.26 -4.98 105.19 105.92 2dly n GLY 7 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.00 -5.03 0.31 4.61 0.00 -1.26 -4.90 120.51 111.23 2dly n ALA 8 Ca 0.00 -1.31 -0.15 0.00 0.00 0.00 0.00 53.44 51.98 2dly n ALA 8 Cb 0.00 -1.14 -0.08 0.00 0.00 0.00 0.00 19.45 18.23 2dly n ALA 8 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2dly h GLU 9 N -1.48 -0.77 -5.31 0.00 5.08 -2.07 -3.45 114.58 106.59 2dly h GLU 9 Ca -0.46 0.05 -0.34 0.00 -1.00 0.00 0.00 59.36 57.61 2dly h GLU 9 Cb 1.38 0.17 -0.21 0.00 0.50 0.00 0.00 28.75 30.59 2dly h GLU 9 CO 0.29 -0.46 -0.49 -0.40 -1.00 0.00 0.00 179.01 176.95 2dly n ASP 10 N -5.35 -1.04 0.10 1.42 5.75 -1.26 -4.70 116.55 111.46 2dly n ASP 10 Ca -0.12 -0.65 -0.03 0.00 -0.01 0.00 0.00 54.79 53.98 2dly n ASP 10 Cb 0.35 -0.92 0.19 0.00 -1.03 0.00 0.00 41.12 39.71 2dly n ASP 10 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 2dly h ARG 11 N -0.47 0.21 0.00 0.11 3.08 -2.00 -2.79 114.38 112.51 2dly h ARG 11 Ca -0.33 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 59.61 2dly h ARG 11 Cb 0.80 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.86 2dly h ARG 11 CO 0.49 0.65 -0.02 0.77 -1.07 0.00 0.00 179.97 180.79 2dly h SER 12 N 0.17 0.00 -0.43 7.04 0.02 -2.02 -3.22 113.55 115.11 2dly h SER 12 Ca 0.01 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.98 2dly h SER 12 Cb 0.92 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.44 2dly h SER 12 CO 0.07 0.02 0.28 0.25 -1.14 0.00 0.00 176.83 176.32 2dly h LEU 13 N 0.00 0.43 -1.96 5.07 6.46 -1.85 -1.02 115.31 122.44 2dly h LEU 13 Ca -0.00 -0.01 0.04 0.00 -0.12 0.00 0.00 57.88 57.79 2dly h LEU 13 Cb 0.95 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.77 2dly h LEU 13 CO 0.00 0.31 0.38 0.06 -0.62 0.00 0.00 178.44 178.56 2dly h GLN 14 N 0.51 0.00 0.00 1.25 3.07 -1.67 0.46 115.11 118.72 2dly h GLN 14 Ca 0.17 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.78 2dly h GLN 14 Cb 0.05 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.59 2dly h GLN 14 CO -0.04 0.00 -0.59 0.00 0.09 0.00 0.00 178.83 178.29 2dly h ALA 15 N 1.37 0.91 -2.78 0.06 0.00 -1.42 -3.45 119.26 113.95 2dly h ALA 15 Ca 0.06 -0.54 -0.53 0.00 0.00 0.00 0.00 54.91 53.91 2dly h ALA 15 Cb 0.81 -0.09 0.08 0.00 0.00 0.00 0.00 17.79 18.59 2dly h ALA 15 CO -0.00 0.74 0.92 -1.21 0.00 0.00 0.00 179.25 179.70 2dly s GLU 16 N -3.50 4.11 0.13 0.00 0.41 0.16 -4.92 118.70 115.08 2dly s GLU 16 Ca -0.01 2.61 -0.12 0.00 -0.41 0.00 0.00 54.97 57.04 2dly s GLU 16 Cb 0.12 -3.02 -0.05 0.00 -1.78 0.00 0.00 34.13 29.39 2dly s GLU 16 CO 0.75 -0.67 1.46 -1.00 -0.49 0.00 0.00 175.26 175.31 2dly h PRO 17 N 5.17 0.87 0.00 0.39 0.13 -1.87 -2.83 132.00 133.86 2dly h PRO 17 Ca -0.46 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.21 2dly h PRO 17 Cb 1.22 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2dly h PRO 17 CO 0.82 1.10 0.00 -2.67 -0.23 0.00 0.00 178.00 177.02 2dly n TRP 18 N -4.13 0.24 -3.22 1.56 4.27 -1.26 -4.58 117.44 110.32 2dly n TRP 18 Ca -0.03 0.10 -0.40 0.00 -3.89 0.00 0.00 57.50 53.28 2dly n TRP 18 Cb 0.52 -0.66 -0.07 0.00 -1.36 0.00 0.00 31.31 29.73 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 -3.11 3.26 -0.22 -2.67 5.36 -1.07 0.05 117.98 119.58 2dly s PHE 19 Ca 0.05 0.61 0.13 0.00 -0.96 0.00 0.00 56.93 56.77 2dly s PHE 19 Cb 0.08 -2.77 0.45 0.00 -0.34 0.00 0.00 43.02 40.44 2dly s PHE 19 CO 0.27 -0.32 1.34 1.19 -1.46 0.00 0.00 175.22 176.23 2dly n PHE 20 N 5.60 0.58 0.00 10.12 3.01 -0.98 -4.86 117.46 130.93 2dly n PHE 20 Ca -0.04 -1.31 0.00 0.00 1.01 0.00 0.00 57.45 57.11 2dly n PHE 20 Cb 0.50 -0.33 0.00 0.00 -0.01 0.00 0.00 39.48 39.63 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 -1.07 3.60 2.97 1.37 0.00 -1.26 -4.09 105.19 106.72 2dly n GLY 21 Ca 0.24 0.17 -0.31 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 -1.05 2.79 0.39 4.61 0.00 -1.26 0.75 121.76 127.98 2dly s ALA 22 Ca 0.00 -2.55 0.04 0.00 0.00 0.00 0.00 51.96 49.45 2dly s ALA 22 Cb 0.00 -1.96 -0.05 0.00 0.00 0.00 0.00 23.12 21.11 2dly s ALA 22 CO 0.00 -1.74 0.06 0.96 0.00 0.00 0.00 175.76 175.04 2dly s ILE 23 N 0.81 1.21 0.24 0.00 -4.36 -1.26 -4.87 121.20 112.98 2dly s ILE 23 Ca 0.12 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.55 2dly s ILE 23 Cb -0.20 -2.64 -0.03 0.00 1.25 0.00 0.00 42.46 40.84 2dly s ILE 23 CO -0.09 0.00 0.38 -0.54 0.24 0.00 0.00 174.94 174.93 2dly s LYS 24 N -3.82 3.45 0.40 0.37 1.02 -1.26 -4.51 119.74 115.39 2dly s LYS 24 Ca 0.29 -0.67 0.17 0.00 0.02 0.00 0.00 55.97 55.78 2dly s LYS 24 Cb 0.07 -2.87 1.07 0.00 -0.52 0.00 0.00 37.83 35.58 2dly s LYS 24 CO 0.14 0.40 1.80 0.07 -0.92 0.00 0.00 175.35 176.84 2dly h ARG 25 N 1.25 0.42 -0.56 1.68 0.11 -1.99 0.16 114.38 115.45 2dly h ARG 25 Ca -0.51 -0.03 -0.04 0.00 0.10 0.00 0.00 59.98 59.51 2dly h ARG 25 Cb 1.22 -0.09 -0.02 0.00 1.11 0.00 0.00 29.97 32.19 2dly h ARG 25 CO 0.62 0.28 0.20 0.00 0.10 0.00 0.00 179.97 181.17 2dly h ALA 26 N 1.61 0.73 -0.26 0.08 0.00 -1.99 0.26 119.26 119.69 2dly h ALA 26 Ca 0.55 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 55.12 2dly h ALA 26 Cb 1.35 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 2dly h ALA 26 CO -0.26 0.36 -0.50 -0.44 0.00 0.00 0.00 179.25 178.41 2dly h ASP 27 N 0.77 0.79 -0.23 0.00 3.32 -1.16 -2.50 116.42 117.42 2dly h ASP 27 Ca 0.18 -0.41 -0.17 0.00 0.02 0.00 0.00 57.03 56.65 2dly h ASP 27 Cb 0.23 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 2dly h ASP 27 CO -0.01 1.16 -0.51 0.00 -1.72 0.00 0.00 179.24 178.15 2dly h ALA 28 N 0.87 0.55 0.46 3.45 0.00 -0.84 -3.21 119.26 120.54 2dly h ALA 28 Ca 0.02 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 2dly h ALA 28 Cb 1.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2dly h ALA 28 CO 0.11 0.68 -0.22 0.93 0.00 0.00 0.00 179.25 180.75 2dly h GLU 29 N 0.63 -0.59 -1.94 0.00 5.08 -0.47 -2.47 114.58 114.83 2dly h GLU 29 Ca 0.02 0.04 0.56 0.00 -1.00 0.00 0.00 59.36 58.99 2dly h GLU 29 Cb 1.10 0.13 -0.08 0.00 0.50 0.00 0.00 28.75 30.41 2dly h GLU 29 CO 0.11 -0.39 1.42 1.63 -1.00 0.00 0.00 179.01 180.77 2dly n LYS 30 N -3.91 0.00 0.05 2.33 5.02 -0.94 0.24 118.16 120.94 2dly n LYS 30 Ca -0.08 1.08 -0.21 0.00 -2.02 0.00 0.00 58.31 57.08 2dly n LYS 30 Cb 0.24 -2.50 -0.11 0.00 -0.02 0.00 0.00 35.03 32.65 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 0.70 -0.01 1.97 1.08 -1.50 -3.07 115.11 114.28 2dly h GLN 31 Ca 0.92 -0.78 -0.17 0.00 -1.45 0.00 0.00 58.65 57.18 2dly h GLN 31 Cb 3.74 0.23 0.01 0.00 -0.05 0.00 0.00 27.48 31.41 2dly h GLN 31 CO -0.01 1.34 -0.65 -0.07 -0.95 0.00 0.00 178.83 178.49 2dly h LEU 32 N 0.38 0.60 -0.92 1.46 3.38 0.35 -3.11 115.31 117.45 2dly h LEU 32 Ca -0.14 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.09 2dly h LEU 32 Cb 1.73 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.30 2dly h LEU 32 CO 0.21 1.26 0.00 0.18 0.09 0.00 0.00 178.44 180.18 2dly n LEU 33 N -4.17 0.43 -4.11 1.67 7.99 0.71 -4.77 117.00 114.75 2dly n LEU 33 Ca -0.10 0.68 -0.36 0.00 -0.01 0.00 0.00 56.01 56.22 2dly n LEU 33 Cb 0.69 -0.70 0.09 0.00 -0.11 0.00 0.00 43.42 43.40 2dly n LEU 33 CO 0.48 -0.75 -1.46 0.00 -1.51 0.00 0.00 177.39 174.15 2dly n TYR 34 N -2.05 -1.34 -0.07 -1.77 9.36 -1.16 -4.97 117.16 115.16 2dly n TYR 34 Ca -0.00 0.45 -0.04 0.00 3.32 0.00 0.00 57.90 61.62 2dly n TYR 34 Cb 0.07 -1.45 -0.01 0.00 -0.63 0.00 0.00 39.34 37.31 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 -1.48 0.00 -1.25 2.98 0.87 -1.89 -3.36 113.55 109.43 2dly h SER 35 Ca -0.45 -0.00 0.36 0.00 -1.23 0.00 0.00 61.79 60.47 2dly h SER 35 Cb 1.37 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.28 2dly h SER 35 CO 0.28 0.72 1.13 -0.33 -0.53 0.00 0.00 176.83 178.11 2dly h GLU 36 N -1.00 0.00 -6.68 2.24 4.39 -1.96 -3.38 114.58 108.19 2dly h GLU 36 Ca -0.00 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.19 2dly h GLU 36 Cb 0.45 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 2dly h GLU 36 CO -0.00 0.00 0.04 -0.80 -1.16 0.00 0.00 179.01 177.09 2dly s ASN 37 N -4.04 6.64 0.19 1.42 0.01 -1.26 -5.09 114.94 112.81 2dly s ASN 37 Ca -0.04 1.11 0.02 0.00 -0.71 0.00 0.00 52.86 53.24 2dly s ASN 37 Cb 0.19 -2.31 -0.01 0.00 0.41 0.00 0.00 41.25 39.54 2dly s ASN 37 CO 0.65 -0.23 0.09 0.00 -1.51 0.00 0.00 177.10 176.09 2dly n GLN 38 N -0.65 0.60 -1.51 -0.60 -0.00 -1.26 -4.87 117.38 109.09 2dly n GLN 38 Ca 0.02 -1.68 -0.45 0.00 -0.00 0.00 0.00 57.00 54.90 2dly n GLN 38 Cb 0.53 1.04 -0.06 0.00 -0.00 0.00 0.00 30.24 31.75 2dly n GLN 38 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 2dly n THR 39 N -0.41 0.15 0.00 -0.39 -1.04 -1.26 -1.89 114.28 109.44 2dly n THR 39 Ca -0.01 -0.41 0.00 0.00 -2.04 0.00 0.00 64.05 61.59 2dly n THR 39 Cb 0.30 -2.04 0.00 0.00 -1.82 0.00 0.00 70.33 66.77 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 6.23 1.39 3.54 3.41 0.00 -0.47 -4.87 105.19 114.43 2dly n GLY 40 Ca 0.40 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.01 -2.42 4.61 0.00 -0.79 -3.67 120.51 118.23 2dly n ALA 41 Ca 0.00 0.25 -0.27 0.00 0.00 0.00 0.00 53.44 53.42 2dly n ALA 41 Cb 0.00 -2.20 -0.12 0.00 0.00 0.00 0.00 19.45 17.13 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 4.95 2.27 -0.29 0.00 -0.71 -0.90 -0.86 117.98 122.46 2dly s PHE 42 Ca 1.08 -0.37 -0.15 0.00 -1.04 0.00 0.00 56.93 56.45 2dly s PHE 42 Cb -1.21 -1.15 0.12 0.00 -1.21 0.00 0.00 43.02 39.56 2dly s PHE 42 CO 0.65 0.45 0.80 -0.48 -1.34 0.00 0.00 175.22 175.31 2dly s LEU 43 N -2.53 -0.80 -0.02 -1.99 0.05 0.34 -0.44 118.68 113.28 2dly s LEU 43 Ca 0.19 1.23 -0.05 0.00 0.05 0.00 0.00 54.13 55.55 2dly s LEU 43 Cb -0.08 2.10 -0.04 0.00 -2.05 0.00 0.00 46.19 46.12 2dly s LEU 43 CO 0.09 -0.19 0.20 -0.63 -0.55 0.00 0.00 176.35 175.27 2dly s ILE 44 N 1.78 5.40 0.07 1.48 1.09 0.11 -0.84 121.20 130.29 2dly s ILE 44 Ca -0.09 0.02 -0.00 0.00 -1.10 0.00 0.00 60.65 59.48 2dly s ILE 44 Cb -0.06 -3.52 -0.04 0.00 -1.06 0.00 0.00 42.46 37.78 2dly s ILE 44 CO -0.18 0.39 -0.03 0.00 -0.10 0.00 0.00 174.94 175.03 2dly s ARG 45 N -1.71 0.69 -0.25 2.79 1.70 -0.73 -2.32 118.95 119.12 2dly s ARG 45 Ca 0.25 -1.27 -0.23 0.00 -0.47 0.00 0.00 55.73 54.02 2dly s ARG 45 Cb -0.13 0.13 -0.01 0.00 -0.57 0.00 0.00 34.95 34.37 2dly s ARG 45 CO 0.15 -0.11 0.74 -1.21 -1.08 0.00 0.00 175.30 173.79 2dly s GLU 46 N -3.92 4.15 -0.00 3.89 2.02 0.23 -0.73 118.70 124.34 2dly s GLU 46 Ca 0.10 0.76 -0.40 0.00 0.02 0.00 0.00 54.97 55.45 2dly s GLU 46 Cb 0.07 -3.65 -0.20 0.00 0.10 0.00 0.00 34.13 30.46 2dly s GLU 46 CO -0.08 -0.48 1.09 0.45 0.02 0.00 0.00 175.26 176.26 2dly n SER 47 N 5.88 0.06 -0.02 -0.19 2.88 -0.27 -4.01 113.62 117.95 2dly n SER 47 Ca 0.03 1.16 -0.13 0.00 -1.33 0.00 0.00 58.87 58.59 2dly n SER 47 Cb 0.48 -0.93 -0.10 0.00 -0.75 0.00 0.00 64.21 62.91 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 3.08 0.02 0.23 -1.46 4.57 -1.92 -3.37 114.58 115.73 2dly h GLU 48 Ca -0.51 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 57.65 2dly h GLU 48 Cb 1.43 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.02 2dly h GLU 48 CO 0.66 0.59 -0.11 1.03 -1.18 0.00 0.00 179.01 180.00 2dly h SER 49 N -0.55 -0.26 -3.30 1.04 0.87 -1.97 -3.44 113.55 105.93 2dly h SER 49 Ca 0.00 0.01 -0.56 0.00 -1.23 0.00 0.00 61.79 60.01 2dly h SER 49 Cb 0.59 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.59 2dly h SER 49 CO 0.00 -0.18 -0.19 -1.58 -0.53 0.00 0.00 176.83 174.36 2dly s GLN 50 N -3.53 3.76 0.00 2.24 2.00 -1.26 -5.09 119.66 117.79 2dly s GLN 50 Ca -0.05 0.18 -0.10 0.00 -2.00 0.00 0.00 55.36 53.40 2dly s GLN 50 Cb 0.00 -2.79 -0.05 0.00 0.80 0.00 0.00 33.01 30.98 2dly s GLN 50 CO 0.14 0.41 0.32 0.21 -0.50 0.00 0.00 175.29 175.87 2dly s LYS 51 N -2.54 3.70 0.00 1.67 2.47 -1.26 -4.17 119.74 119.60 2dly s LYS 51 Ca 0.42 0.12 0.00 0.00 -1.56 0.00 0.00 55.97 54.95 2dly s LYS 51 Cb -0.12 -3.12 0.00 0.00 -1.46 0.00 0.00 37.83 33.13 2dly s LYS 51 CO 0.21 0.66 0.00 0.41 0.16 0.00 0.00 175.35 176.80 2dly n GLY 52 N 1.41 3.00 3.73 5.54 0.00 -1.26 -5.04 105.19 112.58 2dly n GLY 52 Ca -0.13 -0.83 -0.32 0.00 0.00 0.00 0.00 46.02 44.74 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 4.16 0.04 1.61 1.11 -1.26 -4.89 116.67 117.44 2dly s ASP 53 Ca 0.00 2.11 0.03 0.00 0.18 0.00 0.00 52.55 54.87 2dly s ASP 53 Cb 0.00 -2.56 -0.02 0.00 1.07 0.00 0.00 42.92 41.41 2dly s ASP 53 CO 0.00 -2.28 -0.09 -0.36 1.18 0.00 0.00 175.17 173.62 2dly s PHE 54 N -2.44 0.78 -0.11 4.23 0.40 -1.25 -1.12 117.98 118.47 2dly s PHE 54 Ca 0.68 -0.46 0.02 0.00 -0.60 0.00 0.00 56.93 56.57 2dly s PHE 54 Cb -0.23 -0.46 0.01 0.00 0.51 0.00 0.00 43.02 42.85 2dly s PHE 54 CO 0.50 -0.05 -0.17 -1.12 0.70 0.00 0.00 175.22 175.08 2dly s SER 55 N -1.51 2.60 -0.42 1.36 0.01 0.10 -1.39 113.70 114.44 2dly s SER 55 Ca -0.07 -0.47 -0.20 0.00 1.31 0.00 0.00 55.95 56.52 2dly s SER 55 Cb -0.09 -1.18 0.02 0.00 0.21 0.00 0.00 66.02 64.98 2dly s SER 55 CO 0.01 0.05 0.58 -0.22 0.41 0.00 0.00 173.24 174.07 2dly s LEU 56 N 0.84 4.56 -0.30 2.44 2.96 -0.58 -1.77 118.68 126.84 2dly s LEU 56 Ca -0.09 -0.37 -0.11 0.00 -0.22 0.00 0.00 54.13 53.34 2dly s LEU 56 Cb -0.15 -2.63 -0.02 0.00 0.50 0.00 0.00 46.19 43.88 2dly s LEU 56 CO 0.00 -0.69 0.18 -0.55 -1.32 0.00 0.00 176.35 173.96 2dly s SER 57 N 1.92 5.76 0.13 3.68 0.15 -0.02 -1.88 113.70 123.45 2dly s SER 57 Ca 0.20 -0.33 0.09 0.00 0.70 0.00 0.00 55.95 56.61 2dly s SER 57 Cb -0.15 -2.06 -0.04 0.00 -1.71 0.00 0.00 66.02 62.06 2dly s SER 57 CO 0.17 -0.15 -0.21 -0.69 1.20 0.00 0.00 173.24 173.56 2dly s VAL 58 N 1.68 1.86 -0.17 4.45 1.01 -1.19 -0.51 120.40 127.54 2dly s VAL 58 Ca 0.06 -1.74 -0.10 0.00 0.00 0.00 0.00 61.98 60.20 2dly s VAL 58 Cb -0.17 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 2dly s VAL 58 CO 0.08 -0.14 0.16 -0.22 0.00 0.00 0.00 175.10 174.99 2dly s LEU 59 N -2.25 4.26 -0.48 3.92 2.96 -0.04 -1.24 118.68 125.82 2dly s LEU 59 Ca 0.12 0.35 0.04 0.00 -0.22 0.00 0.00 54.13 54.41 2dly s LEU 59 Cb -0.08 -2.14 0.16 0.00 0.50 0.00 0.00 46.19 44.63 2dly s LEU 59 CO 0.06 0.23 0.35 -0.62 -1.32 0.00 0.00 176.35 175.05 2dly s ASP 60 N 0.01 2.62 -0.61 3.68 2.15 0.91 -1.36 116.67 124.07 2dly s ASP 60 Ca 0.11 -3.12 -0.03 0.00 0.43 0.00 0.00 52.55 49.94 2dly s ASP 60 Cb -0.12 -0.78 0.00 0.00 -0.30 0.00 0.00 42.92 41.72 2dly s ASP 60 CO 0.01 -0.17 0.53 -0.62 -0.17 0.00 0.00 175.17 174.74 2dly n GLU 61 N 2.83 -3.54 0.00 4.34 1.02 -1.26 -2.91 120.64 121.12 2dly n GLU 61 Ca 0.23 0.39 0.00 0.00 -0.02 0.00 0.00 57.16 57.76 2dly n GLU 61 Cb 0.42 -4.07 0.00 0.00 -0.02 0.00 0.00 31.44 27.78 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 -1.17 1.77 3.91 0.62 0.00 -1.26 -5.03 105.19 104.03 2dly n GLY 62 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.51 5.11 -0.29 1.61 0.11 -1.14 -4.85 120.40 118.42 2dly s VAL 63 Ca 0.00 -0.12 -0.02 0.00 -2.93 0.00 0.00 61.98 58.91 2dly s VAL 63 Cb 0.00 -3.72 0.04 0.00 -1.53 0.00 0.00 36.38 31.17 2dly s VAL 63 CO 0.00 -0.23 -0.00 -0.69 -3.33 0.00 0.00 175.10 170.84 2dly s VAL 64 N -1.96 3.05 -0.49 2.04 1.01 -1.26 -0.06 120.40 122.72 2dly s VAL 64 Ca 0.41 -1.29 -0.21 0.00 0.00 0.00 0.00 61.98 60.90 2dly s VAL 64 Cb -0.11 -2.71 0.04 0.00 0.00 0.00 0.00 36.38 33.60 2dly s VAL 64 CO 0.29 -0.06 0.69 -0.54 0.00 0.00 0.00 175.10 175.48 2dly s LYS 65 N 1.28 3.21 -0.46 2.72 3.01 -0.37 -4.94 119.74 124.20 2dly s LYS 65 Ca -0.04 -0.60 -0.26 0.00 -1.01 0.00 0.00 55.97 54.06 2dly s LYS 65 Cb -0.19 -4.04 0.03 0.00 -1.01 0.00 0.00 37.83 32.62 2dly s LYS 65 CO -0.01 -1.20 0.96 -1.01 0.51 0.00 0.00 175.35 174.60 2dly s HIS 66 N 2.94 2.91 -0.28 3.18 3.76 -1.26 -3.14 115.29 123.39 2dly s HIS 66 Ca 0.20 0.45 -0.07 0.00 -0.15 0.00 0.00 55.06 55.50 2dly s HIS 66 Cb -0.16 -4.03 0.00 0.00 1.11 0.00 0.00 32.58 29.50 2dly s HIS 66 CO 0.16 -1.12 0.07 0.71 -0.85 0.00 0.00 174.74 173.71 2dly s TYR 67 N 3.85 3.12 -0.16 1.40 2.02 -0.79 -4.99 117.35 121.81 2dly s TYR 67 Ca 0.39 -0.88 -0.29 0.00 -0.37 0.00 0.00 57.07 55.91 2dly s TYR 67 Cb -0.10 -2.24 -0.03 0.00 -0.40 0.00 0.00 41.96 39.19 2dly s TYR 67 CO 0.27 -0.54 1.57 0.50 -1.57 0.00 0.00 175.55 175.78 2dly s ARG 68 N 1.52 3.98 -0.57 -0.62 6.06 -1.26 -1.52 118.95 126.53 2dly s ARG 68 Ca 0.03 1.81 -0.22 0.00 -2.50 0.00 0.00 55.73 54.85 2dly s ARG 68 Cb -0.17 -3.98 0.06 0.00 0.06 0.00 0.00 34.95 30.92 2dly s ARG 68 CO 0.02 -1.07 0.86 0.42 -2.50 0.00 0.00 175.30 173.03 2dly s ILE 69 N 4.59 4.51 0.36 4.11 1.01 -0.49 -4.83 121.20 130.46 2dly s ILE 69 Ca 0.69 -0.15 -0.24 0.00 0.00 0.00 0.00 60.65 60.95 2dly s ILE 69 Cb -0.27 -4.52 -0.10 0.00 0.01 0.00 0.00 42.46 37.58 2dly s ILE 69 CO 0.27 -1.14 0.95 -0.13 0.00 0.00 0.00 174.94 174.89 2dly s ARG 70 N 3.61 4.44 0.11 2.79 0.52 -1.01 -3.88 118.95 125.52 2dly s ARG 70 Ca 0.23 1.27 0.10 0.00 -0.52 0.00 0.00 55.73 56.81 2dly s ARG 70 Cb -0.16 -2.57 -0.04 0.00 0.52 0.00 0.00 34.95 32.70 2dly s ARG 70 CO 0.14 0.15 -0.23 1.03 0.02 0.00 0.00 175.30 176.41 2dly s ARG 71 N -2.46 1.61 0.36 3.54 0.52 -1.26 -0.64 118.95 120.62 2dly s ARG 71 Ca 0.55 -1.25 0.07 0.00 -0.52 0.00 0.00 55.73 54.58 2dly s ARG 71 Cb -0.16 -2.00 -0.01 0.00 0.52 0.00 0.00 34.95 33.31 2dly s ARG 71 CO 0.20 0.47 0.47 -0.51 0.02 0.00 0.00 175.30 175.96 2dly s LEU 72 N -1.99 3.81 0.00 2.53 2.01 -0.70 -4.99 118.68 119.35 2dly s LEU 72 Ca 0.15 -0.32 0.24 0.00 0.01 0.00 0.00 54.13 54.22 2dly s LEU 72 Cb -0.10 -2.63 0.27 0.00 0.01 0.00 0.00 46.19 43.74 2dly s LEU 72 CO 0.07 -0.52 1.26 0.47 1.01 0.00 0.00 176.35 178.64 2dly n ASP 73 N -1.66 1.48 0.00 2.29 8.00 -1.26 -4.28 116.55 121.11 2dly n ASP 73 Ca 0.02 -1.17 0.00 0.00 0.71 0.00 0.00 54.79 54.35 2dly n ASP 73 Cb 0.59 0.39 0.00 0.00 -0.02 0.00 0.00 41.12 42.08 2dly n ASP 73 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2dly n GLU 74 N -0.48 2.37 0.00 -1.24 0.28 -1.26 -5.03 120.64 115.28 2dly n GLU 74 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.10 2dly n GLU 74 Cb 0.40 -0.98 0.00 0.00 1.43 0.00 0.00 31.44 32.29 2dly n GLU 74 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2dly n GLY 75 N 2.71 0.67 0.00 -1.84 0.00 -1.26 -5.15 105.19 100.32 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 -0.10 3.29 -0.02 0.00 -1.23 -4.85 105.19 107.28 2dly n GLY 76 Ca 0.00 0.27 -0.20 0.00 0.00 0.00 0.00 46.02 46.09 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 0.32 1.60 -0.28 1.61 0.40 -1.09 -1.72 117.98 118.81 2dly s PHE 77 Ca 0.00 -0.52 -0.16 0.00 -0.60 0.00 0.00 56.93 55.65 2dly s PHE 77 Cb 0.00 -0.81 0.10 0.00 0.51 0.00 0.00 43.02 42.82 2dly s PHE 77 CO 0.00 0.24 0.78 -0.59 0.70 0.00 0.00 175.22 176.35 2dly s PHE 78 N -2.16 -0.93 -0.60 0.36 -0.71 0.18 -0.22 117.98 113.90 2dly s PHE 78 Ca 0.13 1.83 0.24 0.00 -1.04 0.00 0.00 56.93 58.09 2dly s PHE 78 Cb -0.05 0.56 0.37 0.00 -1.21 0.00 0.00 43.02 42.69 2dly s PHE 78 CO 0.05 -0.46 1.37 1.25 -1.34 0.00 0.00 175.22 176.08 2dly h LEU 79 N 6.81 0.00 -6.99 -1.99 5.85 -1.82 -2.69 115.31 114.48 2dly h LEU 79 Ca -0.28 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.33 2dly h LEU 79 Cb 1.21 0.00 -0.21 0.00 0.37 0.00 0.00 40.66 42.03 2dly h LEU 79 CO 0.16 0.08 -0.03 0.28 -0.34 0.00 0.00 178.44 178.59 2dly s THR 80 N -3.18 -0.43 0.20 1.05 -1.32 -1.21 -4.90 115.64 105.85 2dly s THR 80 Ca 0.06 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.52 2dly s THR 80 Cb 0.12 -1.00 0.30 0.00 -1.51 0.00 0.00 72.50 70.42 2dly s THR 80 CO 0.71 0.00 1.06 0.54 -2.21 0.00 0.00 174.62 174.72 2dly n ARG 81 N 4.79 -0.06 -0.24 7.08 5.12 -1.26 0.24 116.66 132.34 2dly n ARG 81 Ca -0.16 1.04 0.04 0.00 -1.93 0.00 0.00 57.85 56.83 2dly n ARG 81 Cb 0.55 -1.59 0.16 0.00 -1.16 0.00 0.00 32.46 30.41 2dly n ARG 81 CO 0.00 0.00 0.00 0.07 -1.93 0.00 0.00 177.63 175.77 2dly h ARG 82 N 0.00 0.37 -5.16 5.56 0.11 -2.01 -3.38 114.38 109.88 2dly h ARG 82 Ca 0.36 -0.02 -0.66 0.00 0.10 0.00 0.00 59.98 59.76 2dly h ARG 82 Cb 0.64 -0.08 -0.28 0.00 1.11 0.00 0.00 29.97 31.36 2dly h ARG 82 CO -0.67 0.25 -0.75 0.21 0.10 0.00 0.00 179.97 179.11 2dly s LYS 83 N -6.05 3.37 -0.02 0.08 2.47 0.66 -5.11 119.74 115.14 2dly s LYS 83 Ca -0.13 -0.66 0.02 0.00 -1.56 0.00 0.00 55.97 53.64 2dly s LYS 83 Cb 0.20 -2.81 0.00 0.00 -1.46 0.00 0.00 37.83 33.76 2dly s LYS 83 CO 0.75 0.00 -0.07 0.08 0.16 0.00 0.00 175.35 176.28 2dly s VAL 84 N 0.92 0.58 0.25 4.02 1.01 -1.26 -3.28 120.40 122.64 2dly s VAL 84 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.71 2dly s VAL 84 Cb -0.15 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.71 2dly s VAL 84 CO -0.00 0.19 0.02 0.49 0.00 0.00 0.00 175.10 175.80 2dly n PHE 85 N 3.29 0.41 -0.06 5.22 3.72 0.69 -5.00 117.46 125.73 2dly n PHE 85 Ca -0.18 -1.21 -0.14 0.00 -0.05 0.00 0.00 57.45 55.87 2dly n PHE 85 Cb 0.55 -0.17 -0.05 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 0.91 -4.33 4.37 7.64 -1.26 -2.69 113.62 117.03 2dly n SER 86 Ca -0.09 0.16 -0.22 0.00 1.01 0.00 0.00 58.87 59.72 2dly n SER 86 Cb 0.31 -0.38 -0.11 0.00 -1.01 0.00 0.00 64.21 63.02 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 -2.24 1.84 0.58 0.44 -4.23 -1.26 -3.66 115.64 107.12 2dly s THR 87 Ca -0.18 -1.89 0.31 0.00 -1.18 0.00 0.00 61.69 58.75 2dly s THR 87 Cb 0.07 -1.84 0.44 0.00 1.34 0.00 0.00 72.50 72.51 2dly s THR 87 CO 0.22 -0.28 1.69 -0.07 -0.54 0.00 0.00 174.62 175.65 2dly h LEU 88 N 3.31 0.00 0.54 4.79 3.38 -1.97 -1.13 115.31 124.24 2dly h LEU 88 Ca -0.43 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.52 2dly h LEU 88 Cb 1.20 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.96 2dly h LEU 88 CO 0.50 0.00 -0.26 -1.13 0.09 0.00 0.00 178.44 177.64 2dly h ASN 89 N 0.00 -0.61 0.15 -0.43 -0.00 -2.00 -2.53 115.58 110.15 2dly h ASN 89 Ca 0.41 0.02 0.00 0.00 -0.00 0.00 0.00 56.30 56.73 2dly h ASN 89 Cb 2.04 0.16 0.00 0.00 -0.00 0.00 0.00 38.32 40.52 2dly h ASN 89 CO -0.00 -0.38 0.00 -0.62 -0.00 0.00 0.00 177.43 176.42 2dly n GLU 90 N -4.27 0.00 0.09 6.67 1.02 -0.50 -0.64 120.64 123.02 2dly n GLU 90 Ca -0.09 0.43 -0.22 0.00 -0.02 0.00 0.00 57.16 57.25 2dly n GLU 90 Cb 0.29 -1.51 -0.14 0.00 -0.02 0.00 0.00 31.44 30.06 2dly n GLU 90 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2dly h PHE 91 N 0.00 0.93 0.05 -0.32 3.04 -1.05 -3.24 116.94 116.36 2dly h PHE 91 Ca 0.00 -0.61 -0.35 0.00 3.98 0.00 0.00 57.97 60.99 2dly h PHE 91 Cb 0.08 -0.06 -0.04 0.00 2.56 0.00 0.00 35.95 38.48 2dly h PHE 91 CO 0.00 1.46 -2.02 0.28 -2.02 0.00 0.00 178.31 176.01 2dly n VAL 92 N -3.85 1.64 0.27 1.41 0.31 -0.76 -3.55 118.33 113.81 2dly n VAL 92 Ca -0.14 -0.71 0.18 0.00 -0.01 0.00 0.00 64.34 63.66 2dly n VAL 92 Cb 0.97 -1.33 0.98 0.00 -0.91 0.00 0.00 33.84 33.55 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 0.03 0.00 0.00 4.52 2.35 -1.04 -0.16 115.58 121.29 2dly h ASN 93 Ca -0.42 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.22 2dly h ASN 93 Cb 2.03 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 40.39 2dly h ASN 93 CO 0.05 0.00 -0.99 0.00 -1.65 0.00 0.00 177.43 174.84 2dly n TYR 94 N -2.76 0.74 0.17 1.19 4.19 -1.22 -4.18 117.16 115.28 2dly n TYR 94 Ca -0.02 0.32 0.07 0.00 3.31 0.00 0.00 57.90 61.58 2dly n TYR 94 Cb 0.07 -0.85 0.36 0.00 0.49 0.00 0.00 39.34 39.40 2dly n TYR 94 CO 0.00 0.00 0.00 0.66 0.91 0.00 0.00 176.86 178.43 2dly n TYR 95 N -4.51 0.44 1.65 2.98 4.01 -1.10 -1.22 117.16 119.40 2dly n TYR 95 Ca -0.20 0.22 0.13 0.00 -0.16 0.00 0.00 57.90 57.89 2dly n TYR 95 Cb 0.48 -0.84 0.77 0.00 -0.31 0.00 0.00 39.34 39.44 2dly n TYR 95 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2dly n THR 96 N -1.94 0.00 -0.03 -0.72 -2.24 -0.09 -2.95 114.28 106.31 2dly n THR 96 Ca -0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 2dly n THR 96 Cb 0.06 -0.58 -0.07 0.00 -2.10 0.00 0.00 70.33 67.64 2dly n THR 96 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2dly n THR 97 N -0.99 0.37 -3.47 4.28 -2.24 -0.36 -4.87 114.28 107.00 2dly n THR 97 Ca 0.19 -0.31 -0.12 0.00 -2.27 0.00 0.00 64.05 61.54 2dly n THR 97 Cb 0.09 -0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 67.91 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 -2.37 0.00 -0.87 4.28 -1.32 -1.15 -5.07 115.64 109.14 2dly s THR 98 Ca -0.04 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.45 2dly s THR 98 Cb 0.04 -1.00 0.33 0.00 -1.51 0.00 0.00 72.50 70.36 2dly s THR 98 CO 0.36 0.00 1.55 -1.54 -2.21 0.00 0.00 174.62 172.78 2dly n SER 99 N -0.04 6.41 -4.48 8.08 3.41 -1.26 -4.47 113.62 121.28 2dly n SER 99 Ca -0.15 -3.70 -0.15 0.00 -0.26 0.00 0.00 58.87 54.61 2dly n SER 99 Cb 0.62 -0.96 -0.13 0.00 -0.26 0.00 0.00 64.21 63.49 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 -0.15 0.05 0.00 4.04 2.03 -1.26 -2.33 116.55 118.93 2dly n ASP 100 Ca 0.42 -1.23 0.00 0.00 0.52 0.00 0.00 54.79 54.50 2dly n ASP 100 Cb 0.31 -1.11 0.00 0.00 -0.72 0.00 0.00 41.12 39.60 2dly n ASP 100 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dly n GLY 101 N 5.97 1.85 3.54 0.27 0.00 -1.26 -4.99 105.19 110.58 2dly n GLY 101 Ca 0.49 -0.30 -0.49 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 0.98 -0.33 0.99 4.77 -0.98 -4.79 117.00 117.65 2dly n LEU 102 Ca 0.00 1.15 0.24 0.00 -0.03 0.00 0.00 56.01 57.37 2dly n LEU 102 Cb 0.00 -1.16 0.47 0.00 -2.33 0.00 0.00 43.42 40.41 2dly n LEU 102 CO 0.00 -1.63 1.06 0.00 -1.33 0.00 0.00 177.39 175.48 2dly s VAL 104 N -5.68 0.16 -0.12 0.00 0.11 -1.26 -5.10 120.40 108.50 2dly s VAL 104 Ca -0.10 -1.28 -0.17 0.00 -2.93 0.00 0.00 61.98 57.49 2dly s VAL 104 Cb 0.31 -1.33 -0.04 0.00 -1.53 0.00 0.00 36.38 33.78 2dly s VAL 104 CO 0.78 -0.71 0.45 -0.75 -3.33 0.00 0.00 175.10 171.54 2dly s LYS 105 N -3.75 4.32 -0.04 1.54 2.20 -1.26 -4.76 119.74 117.99 2dly s LYS 105 Ca 0.04 0.39 -0.33 0.00 -0.36 0.00 0.00 55.97 55.72 2dly s LYS 105 Cb 0.05 -3.43 -0.11 0.00 -1.51 0.00 0.00 37.83 32.83 2dly s LYS 105 CO -0.10 0.18 1.90 1.28 -0.36 0.00 0.00 175.35 178.25 2dly n LEU 106 N 3.63 3.67 -0.03 5.43 4.77 -1.18 -4.81 117.00 128.47 2dly n LEU 106 Ca -0.08 0.95 -0.03 0.00 -0.03 0.00 0.00 56.01 56.82 2dly n LEU 106 Cb 0.52 -1.42 -0.01 0.00 -2.33 0.00 0.00 43.42 40.17 2dly n LEU 106 CO 0.43 0.02 -0.25 -0.62 -1.33 0.00 0.00 177.39 175.63 2dly n GLU 107 N 6.83 0.20 -4.06 3.23 -0.58 -1.24 -4.24 120.64 120.78 2dly n GLU 107 Ca 0.22 0.08 -0.11 0.00 -0.42 0.00 0.00 57.16 56.92 2dly n GLU 107 Cb 0.33 -0.83 -0.11 0.00 -0.57 0.00 0.00 31.44 30.26 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 -1.74 0.54 0.52 3.49 -0.14 -1.26 -5.06 119.74 116.10 2dly s LYS 108 Ca -0.11 -0.87 -0.20 0.00 -1.36 0.00 0.00 55.97 53.43 2dly s LYS 108 Cb 0.01 -0.14 -0.06 0.00 -1.68 0.00 0.00 37.83 35.97 2dly s LYS 108 CO 0.16 -0.00 1.14 -1.25 -0.76 0.00 0.00 175.35 174.64 2dly s PRO 109 N -2.17 3.47 0.67 -1.68 0.04 -1.26 -2.12 135.00 131.95 2dly s PRO 109 Ca -0.06 1.65 -0.17 0.00 0.04 0.00 0.00 61.00 62.46 2dly s PRO 109 Cb -0.06 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2dly s PRO 109 CO -0.02 -0.76 1.26 0.00 0.04 0.00 0.00 177.00 177.52 2dly s LEU 111 N -4.58 3.66 -0.06 0.00 0.05 -1.26 -4.63 118.68 111.86 2dly s LEU 111 Ca 0.79 1.39 -0.01 0.00 0.05 0.00 0.00 54.13 56.36 2dly s LEU 111 Cb -0.34 -4.32 -0.03 0.00 -2.05 0.00 0.00 46.19 39.44 2dly s LEU 111 CO 0.41 -0.54 0.01 -0.54 -0.55 0.00 0.00 176.35 175.13 2dly s LYS 112 N -4.10 2.95 0.27 1.48 1.02 -1.26 -4.94 119.74 115.16 2dly s LYS 112 Ca 0.56 -0.45 -0.29 0.00 0.02 0.00 0.00 55.97 55.81 2dly s LYS 112 Cb -0.10 -2.78 -0.09 0.00 -0.52 0.00 0.00 37.83 34.34 2dly s LYS 112 CO 0.33 0.69 0.95 0.42 -0.92 0.00 0.00 175.35 176.82 2dly s ILE 113 N -0.95 4.09 -0.89 2.17 -1.09 -1.26 -4.92 121.20 118.36 2dly s ILE 113 Ca 0.15 1.98 -0.26 0.00 -2.23 0.00 0.00 60.65 60.29 2dly s ILE 113 Cb -0.11 -4.21 -0.16 0.00 -1.58 0.00 0.00 42.46 36.40 2dly s ILE 113 CO 0.05 0.38 2.30 -1.58 -1.23 0.00 0.00 174.94 174.85 2dly s GLN 114 N -1.48 1.50 0.07 2.79 2.00 -1.26 -4.86 119.66 118.42 2dly s GLN 114 Ca 0.44 0.16 -0.34 0.00 -2.00 0.00 0.00 55.36 53.63 2dly s GLN 114 Cb -0.24 -4.86 -0.18 0.00 0.80 0.00 0.00 33.01 28.53 2dly s GLN 114 CO 0.30 -4.75 0.83 1.55 -0.50 0.00 0.00 175.29 172.72 2dly n VAL 115 N 8.84 0.69 -3.34 1.34 3.14 -1.26 -4.94 118.33 122.79 2dly n VAL 115 Ca 0.45 -0.17 -0.21 0.00 -2.96 0.00 0.00 64.34 61.45 2dly n VAL 115 Cb 0.44 0.00 -0.00 0.00 -1.06 0.00 0.00 33.84 33.22 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 -0.35 5.99 -0.21 6.55 0.15 -1.26 -5.12 113.70 119.44 2dly s SER 116 Ca 0.77 0.07 -0.27 0.00 0.70 0.00 0.00 55.95 57.22 2dly s SER 116 Cb -1.09 -1.48 0.09 0.00 -1.71 0.00 0.00 66.02 61.84 2dly s SER 116 CO 0.54 -0.48 0.84 -0.83 1.20 0.00 0.00 173.24 174.51 2dly s GLY 117 N -4.16 -0.39 -0.95 9.45 0.00 -1.26 -5.09 107.32 104.92 2dly s GLY 117 Ca 0.45 2.08 -0.24 0.00 0.00 0.00 0.00 44.72 47.00 2dly s GLY 117 CO 0.34 1.51 1.94 2.56 0.00 0.00 0.00 173.10 179.46 2dly s PRO 118 N -0.19 2.55 -0.06 2.90 0.04 -1.26 -4.90 135.00 134.07 2dly s PRO 118 Ca -0.02 -0.44 -0.05 0.00 0.04 0.00 0.00 61.00 60.53 2dly s PRO 118 Cb -0.03 -5.09 0.02 0.00 0.04 0.00 0.00 34.50 29.43 2dly s PRO 118 CO 0.01 -3.48 0.16 -1.12 0.04 0.00 0.00 177.00 172.61 2dly s SER 119 N 7.76 -0.16 -0.10 6.66 0.01 -1.26 -5.16 113.70 121.45 2dly s SER 119 Ca 0.70 0.33 -0.15 0.00 1.31 0.00 0.00 55.95 58.14 2dly s SER 119 Cb -0.06 0.31 0.04 0.00 0.21 0.00 0.00 66.02 66.52 2dly s SER 119 CO 0.02 -0.08 0.39 -0.94 0.41 0.00 0.00 173.24 173.03 2dly s SER 120 N 0.38 -0.36 0.00 2.44 1.04 -1.26 -5.28 113.70 110.66 2dly s SER 120 Ca -0.02 0.58 0.00 0.00 0.48 0.00 0.00 55.95 56.99 2dly s SER 120 Cb -0.04 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.73 2dly s SER 120 CO -0.02 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.56