#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dly s SER 2 N 0.00 4.94 0.02 1.61 1.04 -1.26 -5.14 113.70 114.91 2dly s SER 2 Ca 0.00 -0.45 0.08 0.00 0.48 0.00 0.00 55.95 56.06 2dly s SER 2 Cb 0.00 -1.08 -0.02 0.00 0.10 0.00 0.00 66.02 65.02 2dly s SER 2 CO 0.00 0.01 -0.23 -0.44 0.98 0.00 0.00 173.24 173.56 2dly s SER 3 N -3.56 2.73 0.00 7.02 0.01 -1.26 -4.92 113.70 113.72 2dly s SER 3 Ca 0.31 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.08 2dly s SER 3 Cb -0.08 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 65.89 2dly s SER 3 CO 0.21 0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.71 2dly n GLY 4 N 2.14 -2.39 3.50 3.44 0.00 -1.26 -4.94 105.19 105.68 2dly n GLY 4 Ca -0.16 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.77 4.78 0.16 1.61 0.01 -1.26 -5.02 113.70 112.22 2dly s SER 5 Ca 0.00 -0.13 -0.20 0.00 1.31 0.00 0.00 55.95 56.93 2dly s SER 5 Cb 0.00 -1.78 0.07 0.00 0.21 0.00 0.00 66.02 64.52 2dly s SER 5 CO 0.00 0.17 1.64 -1.28 0.41 0.00 0.00 173.24 174.18 2dly h SER 6 N 6.69 -0.61 -4.11 2.44 0.87 -1.99 -3.44 113.55 113.39 2dly h SER 6 Ca -0.31 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 2dly h SER 6 Cb 1.19 0.32 0.00 0.00 -0.44 0.00 0.00 62.40 63.48 2dly h SER 6 CO 0.63 -0.22 0.00 0.61 -0.53 0.00 0.00 176.83 177.32 2dly n GLY 7 N -1.35 4.33 0.95 5.77 0.00 -1.26 -4.93 105.19 108.70 2dly n GLY 7 Ca 0.01 -1.51 -0.02 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.89 2.85 -0.08 4.61 0.00 -1.26 -4.80 120.51 119.95 2dly n ALA 8 Ca 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 53.44 53.29 2dly n ALA 8 Cb 0.00 0.35 -0.01 0.00 0.00 0.00 0.00 19.45 19.79 2dly n ALA 8 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2dly h GLU 9 N -0.08 -0.24 -5.40 0.00 4.22 -2.04 -3.40 114.58 107.66 2dly h GLU 9 Ca -0.03 0.02 -0.67 0.00 0.08 0.00 0.00 59.36 58.76 2dly h GLU 9 Cb 0.57 0.05 -0.30 0.00 0.50 0.00 0.00 28.75 29.58 2dly h GLU 9 CO -0.02 -0.16 -0.82 -0.51 -2.18 0.00 0.00 179.01 175.33 2dly s ASP 10 N -5.05 3.56 0.01 1.04 1.01 -1.26 -5.00 116.67 110.98 2dly s ASP 10 Ca -0.15 -0.43 -0.01 0.00 0.71 0.00 0.00 52.55 52.67 2dly s ASP 10 Cb 0.13 -1.46 -0.00 0.00 1.01 0.00 0.00 42.92 42.60 2dly s ASP 10 CO 0.68 0.17 -0.02 0.54 0.21 0.00 0.00 175.17 176.76 2dly n ARG 11 N 3.45 0.03 -0.09 8.23 5.12 -1.26 -4.68 116.66 127.46 2dly n ARG 11 Ca -0.18 0.01 0.26 0.00 -1.93 0.00 0.00 57.85 56.00 2dly n ARG 11 Cb 0.53 -0.55 0.72 0.00 -1.16 0.00 0.00 32.46 32.00 2dly n ARG 11 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2dly h SER 12 N -0.05 0.00 -0.92 0.55 4.64 -1.97 0.48 113.55 116.28 2dly h SER 12 Ca -0.03 0.00 0.27 0.00 -0.47 0.00 0.00 61.79 61.56 2dly h SER 12 Cb 0.80 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.86 2dly h SER 12 CO -0.02 0.00 0.79 0.25 -0.87 0.00 0.00 176.83 176.98 2dly h LEU 13 N 0.00 0.00 -1.64 5.97 6.46 -1.99 0.28 115.31 124.40 2dly h LEU 13 Ca 0.35 0.00 0.20 0.00 -0.12 0.00 0.00 57.88 58.31 2dly h LEU 13 Cb 1.54 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 41.41 2dly h LEU 13 CO -0.00 0.00 0.58 0.06 -0.62 0.00 0.00 178.44 178.45 2dly h GLN 14 N 0.00 0.30 -0.34 1.25 3.07 -1.23 0.22 115.11 118.38 2dly h GLN 14 Ca 0.44 -0.02 -0.01 0.00 0.09 0.00 0.00 58.65 59.15 2dly h GLN 14 Cb 2.01 -0.07 -0.02 0.00 0.08 0.00 0.00 27.48 29.49 2dly h GLN 14 CO -0.00 0.20 0.17 0.00 0.09 0.00 0.00 178.83 179.29 2dly h ALA 15 N 1.61 1.67 -2.36 0.06 0.00 -0.66 -3.43 119.26 116.16 2dly h ALA 15 Ca 0.43 -0.07 -0.57 0.00 0.00 0.00 0.00 54.91 54.70 2dly h ALA 15 Cb 1.21 -0.14 0.07 0.00 0.00 0.00 0.00 17.79 18.93 2dly h ALA 15 CO -0.13 0.28 0.77 0.39 0.00 0.00 0.00 179.25 180.56 2dly n GLU 16 N -4.44 2.21 -0.08 0.00 -0.58 0.77 -4.91 120.64 113.61 2dly n GLU 16 Ca 0.02 0.79 -0.13 0.00 -0.42 0.00 0.00 57.16 57.42 2dly n GLU 16 Cb 0.11 -2.53 -0.05 0.00 -0.57 0.00 0.00 31.44 28.39 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 5.40 0.63 0.00 3.49 0.13 -1.86 -2.83 132.00 136.95 2dly h PRO 17 Ca -0.45 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.35 2dly h PRO 17 Cb 1.25 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2dly h PRO 17 CO 0.85 0.93 0.00 -2.67 -0.23 0.00 0.00 178.00 176.88 2dly n TRP 18 N -4.33 0.00 -3.53 1.56 4.27 -1.26 -4.56 117.44 109.59 2dly n TRP 18 Ca -0.04 0.00 -0.37 0.00 -3.89 0.00 0.00 57.50 53.19 2dly n TRP 18 Cb 0.45 -0.35 -0.09 0.00 -1.36 0.00 0.00 31.31 29.96 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 -2.69 3.33 -0.17 -2.67 5.36 -1.07 0.45 117.98 120.51 2dly s PHE 19 Ca 0.07 0.39 0.15 0.00 -0.96 0.00 0.00 56.93 56.57 2dly s PHE 19 Cb 0.06 -2.39 0.43 0.00 -0.34 0.00 0.00 43.02 40.78 2dly s PHE 19 CO 0.14 0.01 1.20 1.19 -1.46 0.00 0.00 175.22 176.29 2dly n PHE 20 N 4.45 0.47 -1.28 10.12 3.01 -1.09 -4.88 117.46 128.26 2dly n PHE 20 Ca -0.12 -1.41 0.00 0.00 1.01 0.00 0.00 57.45 56.94 2dly n PHE 20 Cb 0.52 -0.24 0.00 0.00 -0.01 0.00 0.00 39.48 39.75 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 -0.65 3.21 3.25 1.37 0.00 -1.26 -4.10 105.19 107.01 2dly n GLY 21 Ca 0.19 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.83 3.42 0.34 4.61 0.00 -1.26 0.74 121.76 127.78 2dly s ALA 22 Ca 0.00 -2.43 0.04 0.00 0.00 0.00 0.00 51.96 49.57 2dly s ALA 22 Cb 0.00 -2.88 -0.06 0.00 0.00 0.00 0.00 23.12 20.18 2dly s ALA 22 CO 0.00 -1.86 0.06 0.96 0.00 0.00 0.00 175.76 174.92 2dly s ILE 23 N 1.43 1.20 0.54 0.00 -4.36 -1.26 -4.18 121.20 114.58 2dly s ILE 23 Ca 0.05 -2.00 0.09 0.00 -0.26 0.00 0.00 60.65 58.52 2dly s ILE 23 Cb -0.26 -2.77 0.07 0.00 1.25 0.00 0.00 42.46 40.75 2dly s ILE 23 CO 0.01 0.00 0.75 -0.54 0.24 0.00 0.00 174.94 175.39 2dly s LYS 24 N -3.87 2.41 0.40 0.37 1.02 -1.26 -4.71 119.74 114.10 2dly s LYS 24 Ca 0.35 -1.51 0.11 0.00 0.02 0.00 0.00 55.97 54.95 2dly s LYS 24 Cb 0.08 -2.66 0.82 0.00 -0.52 0.00 0.00 37.83 35.55 2dly s LYS 24 CO 0.15 -0.74 1.91 0.07 -0.92 0.00 0.00 175.35 175.83 2dly h ARG 25 N 0.26 0.12 -0.36 1.68 0.11 -2.02 -0.86 114.38 113.31 2dly h ARG 25 Ca -0.33 -0.03 -0.09 0.00 0.10 0.00 0.00 59.98 59.64 2dly h ARG 25 Cb 1.29 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 32.34 2dly h ARG 25 CO 0.42 0.33 -0.11 0.00 0.10 0.00 0.00 179.97 180.70 2dly h ALA 26 N 1.68 0.49 -0.14 0.08 0.00 -1.98 0.34 119.26 119.73 2dly h ALA 26 Ca 0.02 -0.32 -0.19 0.00 0.00 0.00 0.00 54.91 54.42 2dly h ALA 26 Cb 0.43 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2dly h ALA 26 CO 0.03 0.37 -0.68 0.22 0.00 0.00 0.00 179.25 179.19 2dly h ASP 27 N 0.50 0.68 -0.07 0.00 3.58 -1.88 -2.39 116.42 116.83 2dly h ASP 27 Ca 0.09 -0.42 -0.11 0.00 0.42 0.00 0.00 57.03 57.01 2dly h ASP 27 Cb 0.63 -0.20 0.01 0.00 1.72 0.00 0.00 39.33 41.49 2dly h ASP 27 CO 0.04 1.17 -0.39 0.00 -2.88 0.00 0.00 179.24 177.18 2dly h ALA 28 N 0.83 0.15 -0.86 -0.78 0.00 -1.12 -2.95 119.26 114.52 2dly h ALA 28 Ca -0.02 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 2dly h ALA 28 Cb 1.26 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 2dly h ALA 28 CO 0.13 0.25 0.52 0.93 0.00 0.00 0.00 179.25 181.08 2dly h GLU 29 N -0.08 1.16 -0.05 0.00 5.08 -0.37 -0.49 114.58 119.83 2dly h GLU 29 Ca -0.03 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.17 2dly h GLU 29 Cb 1.04 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 2dly h GLU 29 CO 0.08 0.81 -0.24 0.87 -1.00 0.00 0.00 179.01 179.53 2dly h LYS 30 N 1.18 0.08 0.11 2.33 1.57 -1.46 0.20 116.57 120.58 2dly h LYS 30 Ca 0.31 -0.02 -0.26 0.00 -1.87 0.00 0.00 60.65 58.80 2dly h LYS 30 Cb -0.05 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.25 2dly h LYS 30 CO -0.06 0.32 -1.19 1.96 -0.57 0.00 0.00 179.45 179.91 2dly h GLN 31 N 0.08 0.25 0.03 3.15 1.08 -1.13 -3.14 115.11 115.42 2dly h GLN 31 Ca 0.01 -0.41 -0.00 0.00 -1.45 0.00 0.00 58.65 56.80 2dly h GLN 31 Cb 0.46 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 2dly h GLN 31 CO 0.03 1.19 -0.01 -0.07 -0.95 0.00 0.00 178.83 179.02 2dly h LEU 32 N 0.07 -0.03 -2.06 1.46 3.38 -0.79 -3.22 115.31 114.13 2dly h LEU 32 Ca -0.12 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.15 2dly h LEU 32 Cb 1.92 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.68 2dly h LEU 32 CO 0.19 0.75 0.10 -0.07 0.09 0.00 0.00 178.44 179.50 2dly h LEU 33 N -0.87 0.00 -8.90 1.67 3.38 -0.76 -3.44 115.31 106.40 2dly h LEU 33 Ca -0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 2dly h LEU 33 Cb 0.73 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.62 2dly h LEU 33 CO 0.01 0.00 -0.80 0.00 0.09 0.00 0.00 178.44 177.74 2dly n TYR 34 N -2.66 -1.54 0.12 1.13 9.36 -1.18 -4.88 117.16 117.50 2dly n TYR 34 Ca -0.02 0.73 -0.05 0.00 3.32 0.00 0.00 57.90 61.88 2dly n TYR 34 Cb 0.15 -1.82 -0.03 0.00 -0.63 0.00 0.00 39.34 37.02 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 0.55 -0.30 -0.93 2.98 0.87 -1.91 -2.73 113.55 112.08 2dly h SER 35 Ca -0.33 0.01 0.35 0.00 -1.23 0.00 0.00 61.79 60.59 2dly h SER 35 Cb 1.43 0.08 -0.13 0.00 -0.44 0.00 0.00 62.40 63.34 2dly h SER 35 CO 0.50 -0.20 0.55 -0.62 -0.53 0.00 0.00 176.83 176.53 2dly n GLU 36 N -2.95 -0.04 -2.61 2.24 -0.58 -1.26 -4.25 120.64 111.19 2dly n GLU 36 Ca -0.04 1.05 -0.38 0.00 -0.42 0.00 0.00 57.16 57.37 2dly n GLU 36 Cb 0.13 -1.96 -0.05 0.00 -0.57 0.00 0.00 31.44 28.99 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 -4.49 7.11 0.30 1.62 0.01 -1.03 -5.06 114.94 113.40 2dly s ASN 37 Ca -0.07 2.03 0.03 0.00 -0.71 0.00 0.00 52.86 54.14 2dly s ASN 37 Cb 0.26 -2.60 -0.05 0.00 0.41 0.00 0.00 41.25 39.27 2dly s ASN 37 CO 0.63 -0.24 0.10 -1.10 -1.51 0.00 0.00 177.10 174.98 2dly s GLN 38 N -2.01 1.57 -0.43 -0.60 -0.21 -1.26 -4.79 119.66 111.92 2dly s GLN 38 Ca 0.51 -1.88 -0.39 0.00 0.02 0.00 0.00 55.36 53.62 2dly s GLN 38 Cb -0.24 -0.46 -0.17 0.00 1.00 0.00 0.00 33.01 33.15 2dly s GLN 38 CO 0.30 -0.31 1.61 2.41 -2.12 0.00 0.00 175.29 177.18 2dly n THR 39 N -0.60 0.00 0.00 -0.19 -1.04 -1.26 -1.51 114.28 109.68 2dly n THR 39 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2dly n THR 39 Cb 0.66 -0.43 0.00 0.00 -1.82 0.00 0.00 70.33 68.74 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 4.92 2.48 3.67 3.41 0.00 0.61 -4.83 105.19 115.46 2dly n GLY 40 Ca 0.37 -0.54 -0.66 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.03 -2.55 4.61 0.00 -0.57 -3.84 120.51 117.13 2dly n ALA 41 Ca 0.00 0.44 -0.23 0.00 0.00 0.00 0.00 53.44 53.65 2dly n ALA 41 Cb 0.00 -1.97 -0.13 0.00 0.00 0.00 0.00 19.45 17.35 2dly n ALA 41 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2dly s PHE 42 N 3.51 1.64 -0.19 0.00 -0.71 -0.98 -0.35 117.98 120.89 2dly s PHE 42 Ca 1.07 -0.39 -0.11 0.00 -1.04 0.00 0.00 56.93 56.46 2dly s PHE 42 Cb -1.46 -0.95 0.06 0.00 -1.21 0.00 0.00 43.02 39.45 2dly s PHE 42 CO 0.78 0.11 0.46 -0.48 -1.34 0.00 0.00 175.22 174.75 2dly s LEU 43 N -1.40 -0.20 -0.11 -1.99 0.05 0.13 -1.17 118.68 113.99 2dly s LEU 43 Ca 0.05 1.00 -0.05 0.00 0.05 0.00 0.00 54.13 55.19 2dly s LEU 43 Cb -0.09 1.55 -0.04 0.00 -2.05 0.00 0.00 46.19 45.56 2dly s LEU 43 CO 0.02 -0.20 0.07 -0.63 -0.55 0.00 0.00 176.35 175.07 2dly s ILE 44 N 1.32 4.91 0.32 1.48 1.09 0.17 -0.87 121.20 129.63 2dly s ILE 44 Ca -0.09 -0.02 0.03 0.00 -1.10 0.00 0.00 60.65 59.48 2dly s ILE 44 Cb -0.07 -3.11 -0.04 0.00 -1.06 0.00 0.00 42.46 38.17 2dly s ILE 44 CO -0.13 0.61 0.11 0.00 -0.10 0.00 0.00 174.94 175.43 2dly s ARG 45 N -0.91 1.64 -0.26 2.79 1.70 -0.50 -2.67 118.95 120.75 2dly s ARG 45 Ca 0.14 -1.94 -0.14 0.00 -0.47 0.00 0.00 55.73 53.32 2dly s ARG 45 Cb -0.12 -0.47 -0.04 0.00 -0.57 0.00 0.00 34.95 33.76 2dly s ARG 45 CO 0.03 -0.35 0.33 -1.21 -1.08 0.00 0.00 175.30 173.03 2dly s GLU 46 N -3.87 4.03 0.88 3.89 2.02 0.23 -1.00 118.70 124.88 2dly s GLU 46 Ca 0.34 -0.01 -0.16 0.00 0.02 0.00 0.00 54.97 55.15 2dly s GLU 46 Cb 0.06 -3.63 -0.11 0.00 0.10 0.00 0.00 34.13 30.55 2dly s GLU 46 CO 0.15 -0.21 -0.37 -1.13 0.02 0.00 0.00 175.26 173.72 2dly n SER 47 N 5.10 -4.56 -4.95 -0.19 3.41 -0.97 -4.10 113.62 107.36 2dly n SER 47 Ca -0.10 0.32 -0.23 0.00 -0.26 0.00 0.00 58.87 58.61 2dly n SER 47 Cb 0.51 -0.89 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 2dly n SER 47 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2dly s GLU 48 N -2.17 3.24 -0.88 4.33 1.03 -1.26 -4.26 118.70 118.73 2dly s GLU 48 Ca 0.48 -0.47 -0.04 0.00 0.03 0.00 0.00 54.97 54.97 2dly s GLU 48 Cb -0.25 -2.62 0.03 0.00 -0.80 0.00 0.00 34.13 30.49 2dly s GLU 48 CO 0.75 -0.07 0.18 0.43 -1.33 0.00 0.00 175.26 175.23 2dly n SER 49 N -1.92 -2.94 -3.62 0.83 7.64 -1.26 -4.86 113.62 107.50 2dly n SER 49 Ca -0.01 0.02 -0.07 0.00 1.01 0.00 0.00 58.87 59.82 2dly n SER 49 Cb 0.57 -2.52 -0.05 0.00 -1.01 0.00 0.00 64.21 61.20 2dly n SER 49 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2dly s GLN 50 N -5.44 0.34 -0.15 1.43 2.00 -1.26 -5.16 119.66 111.42 2dly s GLN 50 Ca 0.17 0.15 0.01 0.00 -2.00 0.00 0.00 55.36 53.69 2dly s GLN 50 Cb -0.09 0.16 0.01 0.00 0.80 0.00 0.00 33.01 33.88 2dly s GLN 50 CO 0.20 -0.09 -0.19 0.21 -0.50 0.00 0.00 175.29 174.93 2dly s LYS 51 N -0.75 3.11 0.00 1.67 2.36 -1.26 -4.56 119.74 120.30 2dly s LYS 51 Ca 0.04 -0.81 0.00 0.00 -2.55 0.00 0.00 55.97 52.65 2dly s LYS 51 Cb -0.02 -2.53 0.00 0.00 -1.05 0.00 0.00 37.83 34.23 2dly s LYS 51 CO -0.05 -0.01 0.00 0.41 1.55 0.00 0.00 175.35 177.25 2dly n GLY 52 N 4.10 3.61 3.77 5.54 0.00 -1.26 -5.11 105.19 115.85 2dly n GLY 52 Ca -0.20 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.56 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 4.21 0.20 1.61 1.01 -1.26 -4.97 116.67 117.46 2dly s ASP 53 Ca 0.00 1.42 -0.07 0.00 0.71 0.00 0.00 52.55 54.61 2dly s ASP 53 Cb 0.00 -2.14 -0.02 0.00 1.01 0.00 0.00 42.92 41.77 2dly s ASP 53 CO 0.00 -2.16 0.27 -0.36 0.21 0.00 0.00 175.17 173.13 2dly s PHE 54 N -3.06 0.68 -0.03 4.23 0.40 -1.25 -2.29 117.98 116.66 2dly s PHE 54 Ca 0.61 -1.00 -0.00 0.00 -0.60 0.00 0.00 56.93 55.94 2dly s PHE 54 Cb -0.16 -0.19 0.03 0.00 0.51 0.00 0.00 43.02 43.21 2dly s PHE 54 CO 0.55 -0.76 0.02 0.45 0.70 0.00 0.00 175.22 176.19 2dly s SER 55 N -3.05 0.51 -0.35 1.36 0.15 -0.17 -2.63 113.70 109.52 2dly s SER 55 Ca 0.27 0.01 -0.14 0.00 0.70 0.00 0.00 55.95 56.78 2dly s SER 55 Cb 0.04 -0.17 -0.01 0.00 -1.71 0.00 0.00 66.02 64.16 2dly s SER 55 CO 0.07 -0.14 0.32 -0.22 1.20 0.00 0.00 173.24 174.47 2dly s LEU 56 N 1.31 4.52 -0.27 3.45 2.96 -0.47 -1.41 118.68 128.77 2dly s LEU 56 Ca -0.06 -0.35 -0.07 0.00 -0.22 0.00 0.00 54.13 53.43 2dly s LEU 56 Cb -0.13 -2.26 -0.01 0.00 0.50 0.00 0.00 46.19 44.29 2dly s LEU 56 CO -0.03 -0.32 0.06 -0.44 -1.32 0.00 0.00 176.35 174.31 2dly s SER 57 N 1.73 5.04 0.05 3.68 0.01 -0.05 -0.37 113.70 123.79 2dly s SER 57 Ca 0.09 -0.49 0.09 0.00 1.31 0.00 0.00 55.95 56.95 2dly s SER 57 Cb -0.17 -1.88 -0.03 0.00 0.21 0.00 0.00 66.02 64.15 2dly s SER 57 CO 0.11 -0.12 -0.26 -0.69 0.41 0.00 0.00 173.24 172.70 2dly s VAL 58 N 1.54 2.19 -0.12 3.43 1.01 -0.97 -0.69 120.40 126.79 2dly s VAL 58 Ca 0.04 -1.39 -0.13 0.00 0.00 0.00 0.00 61.98 60.51 2dly s VAL 58 Cb -0.16 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 2dly s VAL 58 CO 0.02 0.36 0.28 -0.22 0.00 0.00 0.00 175.10 175.54 2dly s LEU 59 N -1.28 4.32 -0.48 3.92 2.96 0.52 -0.43 118.68 128.21 2dly s LEU 59 Ca 0.12 0.58 0.04 0.00 -0.22 0.00 0.00 54.13 54.65 2dly s LEU 59 Cb -0.10 -2.35 0.17 0.00 0.50 0.00 0.00 46.19 44.42 2dly s LEU 59 CO 0.02 0.21 0.38 -0.67 -1.32 0.00 0.00 176.35 174.97 2dly n ASP 60 N 2.92 0.38 -0.89 3.68 2.03 0.16 -0.28 116.55 124.54 2dly n ASP 60 Ca -0.14 -2.58 -0.07 0.00 0.52 0.00 0.00 54.79 52.52 2dly n ASP 60 Cb 0.53 -0.60 0.00 0.00 -0.72 0.00 0.00 41.12 40.32 2dly n ASP 60 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2dly n GLU 61 N 2.60 -0.86 0.00 -0.67 1.02 -1.26 -3.06 120.64 118.41 2dly n GLU 61 Ca 0.27 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 2dly n GLU 61 Cb 0.45 -4.12 0.00 0.00 -0.02 0.00 0.00 31.44 27.75 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 -1.00 0.17 3.75 0.62 0.00 -1.26 -5.07 105.19 102.40 2dly n GLY 62 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 2dly n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dly s VAL 63 N -2.00 5.37 -0.42 1.61 0.11 -1.17 -4.91 120.40 118.98 2dly s VAL 63 Ca 0.00 0.36 -0.15 0.00 -2.93 0.00 0.00 61.98 59.25 2dly s VAL 63 Cb 0.00 -3.54 0.03 0.00 -1.53 0.00 0.00 36.38 31.34 2dly s VAL 63 CO 0.00 0.44 0.33 -0.69 -3.33 0.00 0.00 175.10 171.86 2dly s VAL 64 N 0.20 5.23 -0.36 2.04 1.01 -1.26 0.39 120.40 127.66 2dly s VAL 64 Ca 0.13 -0.67 -0.19 0.00 0.00 0.00 0.00 61.98 61.24 2dly s VAL 64 Cb -0.12 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.29 2dly s VAL 64 CO 0.01 -0.36 0.59 -0.54 0.00 0.00 0.00 175.10 174.80 2dly s LYS 65 N 1.74 3.62 -0.39 2.72 3.01 0.43 -4.88 119.74 125.98 2dly s LYS 65 Ca 0.06 -0.07 -0.22 0.00 -1.01 0.00 0.00 55.97 54.72 2dly s LYS 65 Cb -0.19 -3.82 0.01 0.00 -1.01 0.00 0.00 37.83 32.82 2dly s LYS 65 CO 0.10 -0.72 0.74 -1.01 0.51 0.00 0.00 175.35 174.97 2dly s HIS 66 N 2.59 3.09 -0.27 3.18 3.76 -1.26 -2.30 115.29 124.07 2dly s HIS 66 Ca 0.22 0.38 -0.08 0.00 -0.15 0.00 0.00 55.06 55.43 2dly s HIS 66 Cb -0.15 -3.41 -0.01 0.00 1.11 0.00 0.00 32.58 30.12 2dly s HIS 66 CO 0.14 -0.78 0.09 0.71 -0.85 0.00 0.00 174.74 174.05 2dly s TYR 67 N 3.05 3.11 0.04 1.40 2.02 0.50 -4.95 117.35 122.53 2dly s TYR 67 Ca 0.29 -0.62 -0.30 0.00 -0.37 0.00 0.00 57.07 56.07 2dly s TYR 67 Cb -0.13 -2.26 -0.07 0.00 -0.40 0.00 0.00 41.96 39.10 2dly s TYR 67 CO 0.18 -0.44 1.52 0.50 -1.57 0.00 0.00 175.55 175.74 2dly s ARG 68 N 1.58 4.24 -0.60 -0.62 3.52 -1.26 -1.37 118.95 124.45 2dly s ARG 68 Ca 0.05 2.15 -0.15 0.00 -0.13 0.00 0.00 55.73 57.65 2dly s ARG 68 Cb -0.16 -3.56 0.15 0.00 -1.56 0.00 0.00 34.95 29.82 2dly s ARG 68 CO 0.04 -0.65 0.55 0.42 -0.81 0.00 0.00 175.30 174.85 2dly s ILE 69 N 2.43 5.22 0.40 4.11 1.01 -1.08 -4.70 121.20 128.59 2dly s ILE 69 Ca 0.69 -1.74 -0.16 0.00 0.00 0.00 0.00 60.65 59.44 2dly s ILE 69 Cb -0.36 -4.32 -0.09 0.00 0.01 0.00 0.00 42.46 37.70 2dly s ILE 69 CO 0.29 -0.90 0.84 -0.13 0.00 0.00 0.00 174.94 175.05 2dly s ARG 70 N 1.26 4.00 0.17 2.79 0.52 -1.00 -3.91 118.95 122.78 2dly s ARG 70 Ca 0.06 0.79 0.10 0.00 -0.52 0.00 0.00 55.73 56.16 2dly s ARG 70 Cb -0.25 -2.31 -0.04 0.00 0.52 0.00 0.00 34.95 32.87 2dly s ARG 70 CO 0.00 -0.01 -0.16 1.03 0.02 0.00 0.00 175.30 176.18 2dly s ARG 71 N -3.42 1.82 0.32 3.54 0.52 -1.26 -0.79 118.95 119.69 2dly s ARG 71 Ca 0.56 -1.33 0.04 0.00 -0.52 0.00 0.00 55.73 54.49 2dly s ARG 71 Cb -0.10 -2.05 0.04 0.00 0.52 0.00 0.00 34.95 33.36 2dly s ARG 71 CO 0.22 0.43 0.36 1.28 0.02 0.00 0.00 175.30 177.61 2dly n LEU 72 N 0.29 0.00 -0.00 2.53 7.99 -0.75 -4.99 117.00 122.06 2dly n LEU 72 Ca -0.12 -1.53 0.08 0.00 -0.01 0.00 0.00 56.01 54.43 2dly n LEU 72 Cb 0.55 -0.14 -0.11 0.00 -0.11 0.00 0.00 43.42 43.60 2dly n LEU 72 CO 0.32 -0.54 -0.43 -0.90 -1.51 0.00 0.00 177.39 174.33 2dly n ASP 73 N -2.30 1.04 -0.04 -1.43 5.68 -1.26 -4.56 116.55 113.68 2dly n ASP 73 Ca 0.05 -0.36 -0.04 0.00 -0.50 0.00 0.00 54.79 53.94 2dly n ASP 73 Cb 0.35 1.45 -0.07 0.00 -1.14 0.00 0.00 41.12 41.71 2dly n ASP 73 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2dly n GLU 74 N -1.79 2.50 0.00 0.11 -0.00 -1.26 -5.01 120.64 115.19 2dly n GLU 74 Ca -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.15 2dly n GLU 74 Cb 0.36 -1.22 0.00 0.00 -0.00 0.00 0.00 31.44 30.57 2dly n GLU 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2dly n GLY 75 N 2.48 0.43 0.00 -1.84 0.00 -1.26 -5.15 105.19 99.84 2dly n GLY 75 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.20 3.39 -0.02 0.00 -1.08 -4.82 105.19 107.46 2dly n GLY 76 Ca 0.00 0.33 -0.31 0.00 0.00 0.00 0.00 46.02 46.04 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 0.42 2.44 -0.19 1.61 0.08 -0.82 -1.82 117.98 119.70 2dly s PHE 77 Ca 0.00 -0.34 -0.12 0.00 0.12 0.00 0.00 56.93 56.59 2dly s PHE 77 Cb 0.00 -1.45 0.06 0.00 -0.57 0.00 0.00 43.02 41.06 2dly s PHE 77 CO 0.00 0.15 0.48 -0.59 -0.10 0.00 0.00 175.22 175.16 2dly s PHE 78 N -0.81 -0.66 -0.34 0.36 -0.71 0.03 0.09 117.98 115.94 2dly s PHE 78 Ca 0.12 1.43 0.23 0.00 -1.04 0.00 0.00 56.93 57.67 2dly s PHE 78 Cb -0.10 0.30 0.07 0.00 -1.21 0.00 0.00 43.02 42.08 2dly s PHE 78 CO 0.03 -0.35 1.10 1.25 -1.34 0.00 0.00 175.22 175.91 2dly h LEU 79 N 6.63 0.00 -7.12 -1.99 5.85 -1.83 -2.64 115.31 114.21 2dly h LEU 79 Ca -0.33 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.27 2dly h LEU 79 Cb 1.19 0.00 -0.24 0.00 0.37 0.00 0.00 40.66 41.98 2dly h LEU 79 CO 0.25 0.03 -0.14 0.28 -0.34 0.00 0.00 178.44 178.52 2dly s THR 80 N -3.32 -0.01 0.62 1.05 -1.32 -1.26 -4.91 115.64 106.49 2dly s THR 80 Ca 0.01 0.04 0.24 0.00 -1.21 0.00 0.00 61.69 60.77 2dly s THR 80 Cb 0.10 -0.79 0.33 0.00 -1.51 0.00 0.00 72.50 70.63 2dly s THR 80 CO 0.78 0.02 1.47 -0.09 -2.21 0.00 0.00 174.62 174.59 2dly h ARG 81 N 6.84 0.00 -0.59 7.08 9.65 -2.01 0.50 114.38 135.84 2dly h ARG 81 Ca -0.33 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.56 2dly h ARG 81 Cb 1.20 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.75 2dly h ARG 81 CO 0.22 0.00 0.39 0.00 2.80 0.00 0.00 179.97 183.38 2dly h ARG 82 N 0.00 0.78 -5.27 0.20 2.47 -2.00 -3.44 114.38 107.13 2dly h ARG 82 Ca 0.31 -0.05 -0.38 0.00 -1.26 0.00 0.00 59.98 58.60 2dly h ARG 82 Cb 2.15 -0.18 -0.18 0.00 -1.65 0.00 0.00 29.97 30.12 2dly h ARG 82 CO -0.00 0.52 -0.75 0.21 0.56 0.00 0.00 179.97 180.51 2dly s LYS 83 N -6.13 0.98 -0.01 0.04 2.47 0.18 -5.16 119.74 112.10 2dly s LYS 83 Ca -0.13 -1.23 -0.06 0.00 -1.56 0.00 0.00 55.97 52.99 2dly s LYS 83 Cb 0.13 -0.78 0.00 0.00 -1.46 0.00 0.00 37.83 35.72 2dly s LYS 83 CO 0.76 0.14 0.12 0.08 0.16 0.00 0.00 175.35 176.61 2dly s VAL 84 N -2.30 0.06 0.45 4.02 1.01 -1.26 -4.03 120.40 118.35 2dly s VAL 84 Ca 0.08 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.59 2dly s VAL 84 Cb -0.04 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.97 2dly s VAL 84 CO 0.02 -0.28 0.07 -0.36 0.00 0.00 0.00 175.10 174.55 2dly s PHE 85 N -0.94 1.87 -0.21 5.22 0.08 0.11 -5.00 117.98 119.10 2dly s PHE 85 Ca -0.10 -1.10 -0.03 0.00 0.12 0.00 0.00 56.93 55.82 2dly s PHE 85 Cb -0.06 -1.39 -0.12 0.00 -0.57 0.00 0.00 43.02 40.88 2dly s PHE 85 CO 0.01 -0.02 -0.21 0.43 -0.10 0.00 0.00 175.22 175.33 2dly n SER 86 N -1.25 2.11 -4.10 1.36 7.64 -1.26 -1.95 113.62 116.17 2dly n SER 86 Ca -0.11 0.02 -0.13 0.00 1.01 0.00 0.00 58.87 59.66 2dly n SER 86 Cb 0.66 -0.43 -0.11 0.00 -1.01 0.00 0.00 64.21 63.32 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 -2.40 0.65 0.58 0.44 -4.23 -1.26 -4.11 115.64 105.30 2dly s THR 87 Ca -0.28 -1.30 0.38 0.00 -1.18 0.00 0.00 61.69 59.30 2dly s THR 87 Cb 0.09 -0.91 0.55 0.00 1.34 0.00 0.00 72.50 73.57 2dly s THR 87 CO 0.43 -0.47 1.57 -0.07 -0.54 0.00 0.00 174.62 175.54 2dly h LEU 88 N 4.12 0.00 0.57 4.79 3.38 -1.96 -0.17 115.31 126.05 2dly h LEU 88 Ca -0.36 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 2dly h LEU 88 Cb 1.19 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.95 2dly h LEU 88 CO 0.46 0.00 -0.28 -1.13 0.09 0.00 0.00 178.44 177.58 2dly h ASN 89 N 0.00 -0.67 0.15 -0.43 -0.73 -2.00 -2.52 115.58 109.37 2dly h ASN 89 Ca 0.64 0.02 -0.00 0.00 1.87 0.00 0.00 56.30 58.83 2dly h ASN 89 Cb 2.91 0.18 -0.00 0.00 0.27 0.00 0.00 38.32 41.67 2dly h ASN 89 CO -0.01 -0.47 -0.02 -0.33 -0.37 0.00 0.00 177.43 176.23 2dly h GLU 90 N -0.78 0.00 -0.74 6.67 5.08 -1.46 0.66 114.58 124.02 2dly h GLU 90 Ca -0.08 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 2dly h GLU 90 Cb 0.60 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 2dly h GLU 90 CO 0.13 0.02 0.21 0.35 -1.00 0.00 0.00 179.01 178.71 2dly h PHE 91 N 0.00 1.21 0.10 4.33 3.04 -1.02 -2.74 116.94 121.86 2dly h PHE 91 Ca -0.00 -0.13 -0.37 0.00 3.98 0.00 0.00 57.97 61.45 2dly h PHE 91 Cb 0.10 -0.35 -0.03 0.00 2.56 0.00 0.00 35.95 38.23 2dly h PHE 91 CO 0.00 0.96 -2.11 0.28 -2.02 0.00 0.00 178.31 175.42 2dly n VAL 92 N -4.25 1.72 0.07 1.41 0.31 -0.76 -3.78 118.33 113.06 2dly n VAL 92 Ca 0.06 -0.64 0.04 0.00 -0.01 0.00 0.00 64.34 63.79 2dly n VAL 92 Cb 0.24 -1.66 0.24 0.00 -0.91 0.00 0.00 33.84 31.75 2dly n VAL 92 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2dly n ASN 93 N -3.43 0.22 -0.01 4.52 5.15 0.15 -1.61 115.26 120.26 2dly n ASN 93 Ca -0.35 0.56 -0.01 0.00 -0.60 0.00 0.00 54.58 54.18 2dly n ASN 93 Cb 1.03 -0.57 -0.00 0.00 -0.53 0.00 0.00 39.78 39.71 2dly n ASN 93 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2dly n TYR 94 N -1.78 0.07 -0.32 1.20 9.36 -1.03 -4.49 117.16 120.17 2dly n TYR 94 Ca -0.01 0.03 0.18 0.00 3.32 0.00 0.00 57.90 61.43 2dly n TYR 94 Cb 0.09 -0.22 0.38 0.00 -0.63 0.00 0.00 39.34 38.97 2dly n TYR 94 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 2dly h TYR 95 N -0.12 0.68 -1.42 2.98 0.05 -1.63 0.15 116.97 117.67 2dly h TYR 95 Ca 0.00 0.04 0.45 0.00 0.05 0.00 0.00 58.73 59.28 2dly h TYR 95 Cb 0.08 -0.15 -0.10 0.00 1.01 0.00 0.00 36.73 37.57 2dly h TYR 95 CO -0.03 -0.16 0.96 0.25 -1.05 0.00 0.00 178.16 178.12 2dly n THR 96 N -5.11 -0.14 0.12 -2.88 -2.24 -0.63 0.23 114.28 103.63 2dly n THR 96 Ca 0.27 1.48 -0.24 0.00 -2.27 0.00 0.00 64.05 63.29 2dly n THR 96 Cb 0.82 -2.44 -0.15 0.00 -2.10 0.00 0.00 70.33 66.47 2dly n THR 96 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2dly h THR 97 N 0.00 1.30 -3.10 4.28 1.35 -0.95 -3.44 112.91 112.35 2dly h THR 97 Ca 0.80 -2.61 -0.09 0.00 -0.55 0.00 0.00 66.41 63.96 2dly h THR 97 Cb 2.82 2.97 -0.17 0.00 -1.73 0.00 0.00 68.15 72.03 2dly h THR 97 CO -0.25 0.78 -0.17 0.28 -0.25 0.00 0.00 175.52 175.91 2dly s THR 98 N -2.69 0.06 0.18 6.82 -1.32 0.63 -5.04 115.64 114.28 2dly s THR 98 Ca -0.10 -0.53 0.14 0.00 -1.21 0.00 0.00 61.69 60.00 2dly s THR 98 Cb 0.04 -0.91 0.04 0.00 -1.51 0.00 0.00 72.50 70.17 2dly s THR 98 CO 0.93 -0.29 1.63 0.77 -2.21 0.00 0.00 174.62 175.45 2dly h SER 99 N 3.19 0.00 -2.34 8.08 4.64 -1.86 -3.37 113.55 121.90 2dly h SER 99 Ca -0.31 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.62 2dly h SER 99 Cb 1.20 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.21 2dly h SER 99 CO 0.44 0.53 -0.44 0.47 -0.87 0.00 0.00 176.83 176.95 2dly n ASP 100 N -3.60 -5.36 0.00 4.97 8.00 -1.26 -1.21 116.55 118.09 2dly n ASP 100 Ca -0.00 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.70 2dly n ASP 100 Cb 0.60 -4.59 0.00 0.00 -0.02 0.00 0.00 41.12 37.11 2dly n ASP 100 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dly n GLY 101 N -0.73 2.53 3.75 0.44 0.00 -1.26 -5.08 105.19 104.84 2dly n GLY 101 Ca -0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 2dly n GLY 101 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dly s LEU 102 N 0.00 4.35 0.24 0.99 1.43 -0.35 -4.82 118.68 120.52 2dly s LEU 102 Ca 0.00 2.92 0.11 0.00 -1.03 0.00 0.00 54.13 56.13 2dly s LEU 102 Cb 0.00 -3.63 0.82 0.00 0.03 0.00 0.00 46.19 43.41 2dly s LEU 102 CO 0.00 -0.89 1.06 0.00 0.23 0.00 0.00 176.35 176.75 2dly s VAL 104 N -5.13 0.11 -0.09 0.00 0.11 -1.26 -5.12 120.40 109.01 2dly s VAL 104 Ca -0.07 -0.88 -0.23 0.00 -2.93 0.00 0.00 61.98 57.87 2dly s VAL 104 Cb 0.22 -0.69 -0.04 0.00 -1.53 0.00 0.00 36.38 34.34 2dly s VAL 104 CO 0.52 -0.49 0.68 -0.75 -3.33 0.00 0.00 175.10 171.73 2dly s LYS 105 N -2.07 4.40 -0.15 1.54 2.20 -1.26 -4.75 119.74 119.65 2dly s LYS 105 Ca -0.09 0.82 -0.34 0.00 -0.36 0.00 0.00 55.97 56.00 2dly s LYS 105 Cb -0.04 -3.46 -0.11 0.00 -1.51 0.00 0.00 37.83 32.71 2dly s LYS 105 CO -0.02 0.03 1.98 1.28 -0.36 0.00 0.00 175.35 178.26 2dly n LEU 106 N 3.94 3.20 -0.10 5.43 4.77 -1.26 -4.79 117.00 128.18 2dly n LEU 106 Ca -0.02 0.78 -0.16 0.00 -0.03 0.00 0.00 56.01 56.58 2dly n LEU 106 Cb 0.51 -1.37 -0.06 0.00 -2.33 0.00 0.00 43.42 40.17 2dly n LEU 106 CO 0.46 -0.25 -0.82 -0.62 -1.33 0.00 0.00 177.39 174.84 2dly n GLU 107 N 7.18 0.54 -3.76 3.23 -0.58 -1.25 -4.19 120.64 121.81 2dly n GLU 107 Ca 0.27 0.35 -0.12 0.00 -0.42 0.00 0.00 57.16 57.23 2dly n GLU 107 Cb 0.30 -1.55 -0.08 0.00 -0.57 0.00 0.00 31.44 29.54 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 -2.57 0.75 0.64 3.49 -0.14 -1.26 -5.05 119.74 115.59 2dly s LYS 108 Ca -0.29 -0.37 -0.16 0.00 -1.36 0.00 0.00 55.97 53.79 2dly s LYS 108 Cb 0.07 0.33 -0.01 0.00 -1.68 0.00 0.00 37.83 36.54 2dly s LYS 108 CO 0.43 -0.23 1.11 -1.25 -0.76 0.00 0.00 175.35 174.66 2dly s PRO 109 N -2.01 2.91 0.97 -1.68 0.04 -1.26 -2.33 135.00 131.63 2dly s PRO 109 Ca -0.09 1.44 -0.11 0.00 0.04 0.00 0.00 61.00 62.27 2dly s PRO 109 Cb -0.03 -1.96 0.17 0.00 0.04 0.00 0.00 34.50 32.73 2dly s PRO 109 CO 0.00 -1.17 1.09 0.00 0.04 0.00 0.00 177.00 176.96 2dly s LEU 111 N -6.58 3.90 -0.11 0.00 0.05 -1.26 -4.48 118.68 110.20 2dly s LEU 111 Ca 0.66 -0.13 -0.04 0.00 0.05 0.00 0.00 54.13 54.67 2dly s LEU 111 Cb -0.21 -2.47 -0.04 0.00 -2.05 0.00 0.00 46.19 41.42 2dly s LEU 111 CO 0.59 0.02 0.04 -0.54 -0.55 0.00 0.00 176.35 175.91 2dly s LYS 112 N -3.44 3.22 0.25 1.48 1.02 -1.26 -4.92 119.74 116.09 2dly s LYS 112 Ca 0.32 -0.34 -0.30 0.00 0.02 0.00 0.00 55.97 55.67 2dly s LYS 112 Cb -0.09 -2.93 -0.09 0.00 -0.52 0.00 0.00 37.83 34.20 2dly s LYS 112 CO 0.25 0.66 1.22 0.42 -0.92 0.00 0.00 175.35 176.97 2dly s ILE 113 N -0.73 3.26 -0.42 2.17 -1.09 -1.26 -5.01 121.20 118.12 2dly s ILE 113 Ca 0.12 1.17 -0.03 0.00 -2.23 0.00 0.00 60.65 59.68 2dly s ILE 113 Cb -0.12 -3.74 0.11 0.00 -1.58 0.00 0.00 42.46 37.13 2dly s ILE 113 CO 0.02 0.24 0.22 -1.10 -1.23 0.00 0.00 174.94 173.09 2dly s GLN 114 N -0.97 2.03 0.23 2.79 -0.21 -1.26 -5.08 119.66 117.20 2dly s GLN 114 Ca 0.50 -1.89 -0.23 0.00 0.02 0.00 0.00 55.36 53.76 2dly s GLN 114 Cb -0.35 -3.58 -0.15 0.00 1.00 0.00 0.00 33.01 29.93 2dly s GLN 114 CO 0.42 -1.08 0.35 1.55 -2.12 0.00 0.00 175.29 174.42 2dly n VAL 115 N 4.49 1.44 -3.82 1.09 3.14 -1.26 -4.92 118.33 118.47 2dly n VAL 115 Ca -0.01 -0.45 -0.29 0.00 -2.96 0.00 0.00 64.34 60.63 2dly n VAL 115 Cb 0.41 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 33.06 2dly n VAL 115 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 2dly s SER 116 N -0.90 4.09 0.00 6.55 1.04 -1.26 -5.06 113.70 118.16 2dly s SER 116 Ca 0.56 -3.30 0.00 0.00 0.48 0.00 0.00 55.95 53.69 2dly s SER 116 Cb -0.76 -1.39 0.00 0.00 0.10 0.00 0.00 66.02 63.97 2dly s SER 116 CO 0.52 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 175.18 2dly n GLY 117 N 2.68 -1.46 0.24 7.32 0.00 -1.26 -4.66 105.19 108.05 2dly n GLY 117 Ca 0.15 -2.19 0.11 0.00 0.00 0.00 0.00 46.02 44.09 2dly n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dly h PRO 118 N 4.04 0.00 -4.35 1.61 0.13 -2.05 -3.46 132.00 127.92 2dly h PRO 118 Ca 0.00 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.66 2dly h PRO 118 Cb 0.00 0.00 0.10 0.00 0.13 0.00 0.00 31.00 31.23 2dly h PRO 118 CO 0.00 0.18 -0.54 0.45 -0.23 0.00 0.00 178.00 177.86 2dly n SER 119 N -3.41 -1.50 -3.78 1.44 2.88 -1.26 -4.97 113.62 103.02 2dly n SER 119 Ca -0.00 0.70 -0.13 0.00 -1.33 0.00 0.00 58.87 58.11 2dly n SER 119 Cb 0.37 -0.66 -0.14 0.00 -0.75 0.00 0.00 64.21 63.03 2dly n SER 119 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dly s SER 120 N -0.72 -0.08 0.00 -3.46 0.01 -1.26 -4.93 113.70 103.26 2dly s SER 120 Ca 0.45 0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.92 2dly s SER 120 Cb -0.57 0.15 0.00 0.00 0.21 0.00 0.00 66.02 65.81 2dly s SER 120 CO 0.43 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.59