#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dly n SER 2 N 0.00 1.92 -4.34 1.61 3.41 -1.26 -5.05 113.62 109.92 2dly n SER 2 Ca 0.00 0.38 -0.17 0.00 -0.26 0.00 0.00 58.87 58.81 2dly n SER 2 Cb 0.00 -0.85 -0.10 0.00 -0.26 0.00 0.00 64.21 63.00 2dly n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dly s SER 3 N -7.06 1.50 -0.35 4.04 0.15 -1.26 -4.95 113.70 105.77 2dly s SER 3 Ca -0.34 -1.34 0.14 0.00 0.70 0.00 0.00 55.95 55.11 2dly s SER 3 Cb 0.11 0.09 0.43 0.00 -1.71 0.00 0.00 66.02 64.94 2dly s SER 3 CO 0.49 -0.66 1.17 0.61 1.20 0.00 0.00 173.24 176.05 2dly n GLY 4 N -0.48 1.49 3.65 9.45 0.00 -1.26 -5.07 105.19 112.97 2dly n GLY 4 Ca -0.02 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.26 3.72 -0.16 1.61 0.01 -1.26 -5.15 113.70 110.21 2dly s SER 5 Ca 0.24 -1.51 -0.06 0.00 1.31 0.00 0.00 55.95 55.93 2dly s SER 5 Cb 0.43 0.06 0.08 0.00 0.21 0.00 0.00 66.02 66.79 2dly s SER 5 CO -0.03 -0.66 0.34 -0.44 0.41 0.00 0.00 173.24 172.85 2dly s SER 6 N -3.74 0.04 0.00 2.44 0.01 -1.26 -5.03 113.70 106.15 2dly s SER 6 Ca 0.23 0.78 0.00 0.00 1.31 0.00 0.00 55.95 58.27 2dly s SER 6 Cb 0.06 0.97 0.00 0.00 0.21 0.00 0.00 66.02 67.27 2dly s SER 6 CO 0.12 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.14 2dly n GLY 7 N 5.29 -0.96 3.56 3.44 0.00 -1.25 -4.78 105.19 110.48 2dly n GLY 7 Ca -0.08 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 2dly n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dly s ALA 8 N -3.16 2.27 -1.78 4.61 0.00 -1.26 -4.07 121.76 118.37 2dly s ALA 8 Ca 0.00 -1.71 -0.19 0.00 0.00 0.00 0.00 51.96 50.06 2dly s ALA 8 Cb 0.00 -4.48 0.18 0.00 0.00 0.00 0.00 23.12 18.82 2dly s ALA 8 CO 0.00 -4.05 0.61 0.39 0.00 0.00 0.00 175.76 172.71 2dly n GLU 9 N 8.97 -1.66 -4.10 0.00 1.02 -1.26 -4.91 120.64 118.70 2dly n GLU 9 Ca 0.31 0.22 -0.34 0.00 -0.02 0.00 0.00 57.16 57.34 2dly n GLU 9 Cb 0.49 -4.75 -0.15 0.00 -0.02 0.00 0.00 31.44 27.01 2dly n GLU 9 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2dly s ASP 10 N -3.39 3.50 0.06 1.62 1.11 -1.26 -4.97 116.67 113.34 2dly s ASP 10 Ca 0.71 -0.56 0.00 0.00 0.18 0.00 0.00 52.55 52.88 2dly s ASP 10 Cb -0.41 -1.56 0.00 0.00 1.07 0.00 0.00 42.92 42.03 2dly s ASP 10 CO 0.99 0.00 0.00 0.54 1.18 0.00 0.00 175.17 177.88 2dly n ARG 11 N 4.62 0.00 0.19 8.23 1.74 -1.26 -3.95 116.66 126.23 2dly n ARG 11 Ca -0.20 0.00 0.18 0.00 -0.77 0.00 0.00 57.85 57.06 2dly n ARG 11 Cb 0.50 -0.44 0.82 0.00 -1.02 0.00 0.00 32.46 32.32 2dly n ARG 11 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2dly h SER 12 N 0.00 0.00 -0.69 0.55 4.64 -2.02 -1.29 113.55 114.74 2dly h SER 12 Ca 0.00 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.52 2dly h SER 12 Cb 0.46 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.52 2dly h SER 12 CO 0.00 0.00 0.74 0.25 -0.87 0.00 0.00 176.83 176.95 2dly h LEU 13 N 0.00 0.00 -1.54 5.97 6.46 -1.98 0.31 115.31 124.52 2dly h LEU 13 Ca 0.11 0.00 0.14 0.00 -0.12 0.00 0.00 57.88 58.01 2dly h LEU 13 Cb 0.64 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.52 2dly h LEU 13 CO -0.00 0.00 0.50 0.06 -0.62 0.00 0.00 178.44 178.38 2dly h GLN 14 N 0.00 0.45 -0.18 1.25 3.07 -1.58 0.97 115.11 119.09 2dly h GLN 14 Ca 0.33 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 59.03 2dly h GLN 14 Cb 1.81 -0.10 -0.01 0.00 0.08 0.00 0.00 27.48 29.26 2dly h GLN 14 CO -0.00 0.29 0.07 0.00 0.09 0.00 0.00 178.83 179.28 2dly h ALA 15 N 1.64 1.78 -1.89 0.06 0.00 -0.62 -3.44 119.26 116.81 2dly h ALA 15 Ca 0.37 -0.06 -0.64 0.00 0.00 0.00 0.00 54.91 54.58 2dly h ALA 15 Cb 0.79 -0.08 0.06 0.00 0.00 0.00 0.00 17.79 18.56 2dly h ALA 15 CO -0.12 0.18 0.52 0.39 0.00 0.00 0.00 179.25 180.22 2dly n GLU 16 N -4.46 1.46 -0.09 0.00 -0.58 0.33 -4.89 120.64 112.42 2dly n GLU 16 Ca -0.00 0.53 -0.13 0.00 -0.42 0.00 0.00 57.16 57.13 2dly n GLU 16 Cb 0.12 -2.18 -0.04 0.00 -0.57 0.00 0.00 31.44 28.77 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 4.69 0.69 0.00 3.49 0.13 -1.87 -2.86 132.00 136.27 2dly h PRO 17 Ca -0.46 -0.37 0.00 0.00 -0.87 0.00 0.00 66.00 64.30 2dly h PRO 17 Cb 1.31 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2dly h PRO 17 CO 0.79 0.98 0.00 -2.67 -0.23 0.00 0.00 178.00 176.87 2dly n TRP 18 N -4.27 0.03 -3.20 1.56 4.27 -1.26 -4.57 117.44 110.00 2dly n TRP 18 Ca -0.04 0.01 -0.41 0.00 -3.89 0.00 0.00 57.50 53.17 2dly n TRP 18 Cb 0.47 -0.52 -0.07 0.00 -1.36 0.00 0.00 31.31 29.83 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 -3.01 3.18 -0.30 -2.67 5.36 -1.08 0.20 117.98 119.66 2dly s PHE 19 Ca 0.07 0.27 0.09 0.00 -0.96 0.00 0.00 56.93 56.40 2dly s PHE 19 Cb 0.09 -2.98 0.53 0.00 -0.34 0.00 0.00 43.02 40.33 2dly s PHE 19 CO 0.27 -0.55 1.52 1.19 -1.46 0.00 0.00 175.22 176.19 2dly n PHE 20 N 5.82 1.31 0.00 10.12 3.01 -0.93 -4.84 117.46 131.95 2dly n PHE 20 Ca -0.04 -1.53 0.00 0.00 1.01 0.00 0.00 57.45 56.89 2dly n PHE 20 Cb 0.49 -0.52 0.00 0.00 -0.01 0.00 0.00 39.48 39.43 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 -1.03 3.78 3.03 1.37 0.00 -1.26 -4.09 105.19 106.98 2dly n GLY 21 Ca 0.35 0.21 -0.31 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.00 2.82 0.31 4.61 0.00 -1.26 0.85 121.76 128.08 2dly s ALA 22 Ca 0.00 -2.35 0.03 0.00 0.00 0.00 0.00 51.96 49.64 2dly s ALA 22 Cb 0.00 -1.88 -0.06 0.00 0.00 0.00 0.00 23.12 21.18 2dly s ALA 22 CO 0.00 -1.57 0.07 0.96 0.00 0.00 0.00 175.76 175.22 2dly s ILE 23 N 0.95 0.97 0.37 0.00 -4.36 -1.26 -4.89 121.20 112.99 2dly s ILE 23 Ca 0.06 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.48 2dly s ILE 23 Cb -0.19 -2.73 -0.01 0.00 1.25 0.00 0.00 42.46 40.77 2dly s ILE 23 CO -0.07 0.00 0.55 -0.54 0.24 0.00 0.00 174.94 175.12 2dly s LYS 24 N -3.93 3.16 0.43 0.37 1.02 -1.26 -4.59 119.74 114.93 2dly s LYS 24 Ca 0.37 -0.71 0.15 0.00 0.02 0.00 0.00 55.97 55.80 2dly s LYS 24 Cb 0.08 -2.71 1.04 0.00 -0.52 0.00 0.00 37.83 35.73 2dly s LYS 24 CO 0.15 -0.03 1.93 0.07 -0.92 0.00 0.00 175.35 176.54 2dly h ARG 25 N 0.70 0.41 -0.46 1.68 0.11 -2.00 -0.28 114.38 114.54 2dly h ARG 25 Ca -0.47 -0.02 -0.02 0.00 0.10 0.00 0.00 59.98 59.56 2dly h ARG 25 Cb 1.25 -0.09 -0.02 0.00 1.11 0.00 0.00 29.97 32.22 2dly h ARG 25 CO 0.56 0.27 0.19 0.00 0.10 0.00 0.00 179.97 181.09 2dly h ALA 26 N 1.65 0.60 -0.27 0.08 0.00 -1.99 0.23 119.26 119.56 2dly h ALA 26 Ca 0.36 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.95 2dly h ALA 26 Cb 0.80 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2dly h ALA 26 CO -0.11 0.19 -0.53 0.22 0.00 0.00 0.00 179.25 179.02 2dly h ASP 27 N 0.60 0.86 -0.26 0.00 1.82 -1.58 -2.05 116.42 115.81 2dly h ASP 27 Ca 0.15 -0.45 -0.13 0.00 -0.39 0.00 0.00 57.03 56.21 2dly h ASP 27 Cb 0.17 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 39.93 2dly h ASP 27 CO -0.01 1.23 -0.32 0.00 -1.61 0.00 0.00 179.24 178.52 2dly h ALA 28 N 0.79 0.77 0.56 -0.78 0.00 -0.94 -2.92 119.26 116.75 2dly h ALA 28 Ca 0.02 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 2dly h ALA 28 Cb 1.12 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.78 2dly h ALA 28 CO 0.11 0.65 -0.27 0.93 0.00 0.00 0.00 179.25 180.68 2dly h GLU 29 N 0.66 -0.73 -1.36 0.00 5.08 -0.52 -2.39 114.58 115.33 2dly h GLU 29 Ca 0.07 0.05 0.40 0.00 -1.00 0.00 0.00 59.36 58.88 2dly h GLU 29 Cb 0.86 0.17 -0.08 0.00 0.50 0.00 0.00 28.75 30.19 2dly h GLU 29 CO 0.07 -0.48 0.94 1.57 -1.00 0.00 0.00 179.01 180.11 2dly h LYS 30 N -1.13 0.09 -0.12 2.33 2.10 -1.46 0.89 116.57 119.28 2dly h LYS 30 Ca -0.08 -0.01 -0.22 0.00 -2.00 0.00 0.00 60.65 58.34 2dly h LYS 30 Cb 0.58 -0.02 0.01 0.00 -0.90 0.00 0.00 32.23 31.90 2dly h LYS 30 CO 0.13 0.06 -0.81 1.96 -2.00 0.00 0.00 179.45 178.78 2dly h GLN 31 N 0.09 0.72 -0.00 0.07 1.08 -1.44 -2.95 115.11 112.68 2dly h GLN 31 Ca 0.71 -0.61 -0.00 0.00 -1.45 0.00 0.00 58.65 57.29 2dly h GLN 31 Cb 2.52 0.14 0.00 0.00 -0.05 0.00 0.00 27.48 30.08 2dly h GLN 31 CO -0.16 1.22 -0.00 -0.07 -0.95 0.00 0.00 178.83 178.87 2dly h LEU 32 N 0.48 0.01 -2.20 1.46 3.38 0.12 -3.13 115.31 115.41 2dly h LEU 32 Ca -0.06 -0.67 0.04 0.00 0.09 0.00 0.00 57.88 57.29 2dly h LEU 32 Cb 1.44 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 2dly h LEU 32 CO 0.16 0.67 0.27 -0.07 0.09 0.00 0.00 178.44 179.56 2dly h LEU 33 N -0.66 0.00 -7.23 1.67 -0.00 -0.65 -3.43 115.31 105.00 2dly h LEU 33 Ca -0.00 0.00 -0.47 0.00 -0.00 0.00 0.00 57.88 57.40 2dly h LEU 33 Cb 0.67 0.00 0.15 0.00 -0.00 0.00 0.00 40.66 41.49 2dly h LEU 33 CO 0.00 0.00 -1.03 0.00 -0.00 0.00 0.00 178.44 177.41 2dly n TYR 34 N -3.43 -2.66 0.19 1.13 9.36 -1.11 -4.87 117.16 115.77 2dly n TYR 34 Ca 0.01 0.30 -0.08 0.00 3.32 0.00 0.00 57.90 61.45 2dly n TYR 34 Cb 0.37 -1.32 -0.04 0.00 -0.63 0.00 0.00 39.34 37.72 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 -0.14 -0.43 -1.73 2.98 0.87 -1.90 -3.04 113.55 110.16 2dly h SER 35 Ca -0.33 0.01 0.50 0.00 -1.23 0.00 0.00 61.79 60.74 2dly h SER 35 Cb 1.14 0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 63.14 2dly h SER 35 CO 0.31 -0.21 1.37 -0.62 -0.53 0.00 0.00 176.83 177.15 2dly n GLU 36 N -3.90 0.00 -3.34 2.24 -0.58 -1.26 -4.22 120.64 109.57 2dly n GLU 36 Ca -0.06 1.06 -0.37 0.00 -0.42 0.00 0.00 57.16 57.36 2dly n GLU 36 Cb 0.20 -2.49 -0.06 0.00 -0.57 0.00 0.00 31.44 28.52 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 -3.75 6.94 0.29 1.62 0.01 -1.15 -5.07 114.94 113.82 2dly s ASN 37 Ca -0.04 1.15 0.03 0.00 -0.71 0.00 0.00 52.86 53.28 2dly s ASN 37 Cb 0.23 -2.32 -0.04 0.00 0.41 0.00 0.00 41.25 39.54 2dly s ASN 37 CO 0.78 0.22 0.16 -1.10 -1.51 0.00 0.00 177.10 175.65 2dly s GLN 38 N -1.41 1.55 -0.38 -0.60 -0.21 -1.26 -4.75 119.66 112.60 2dly s GLN 38 Ca 0.31 -1.87 -0.33 0.00 0.02 0.00 0.00 55.36 53.49 2dly s GLN 38 Cb -0.17 -0.06 -0.14 0.00 1.00 0.00 0.00 33.01 33.63 2dly s GLN 38 CO 0.18 -0.44 1.55 2.41 -2.12 0.00 0.00 175.29 176.87 2dly n THR 39 N -0.54 0.00 0.00 -0.19 -1.04 -1.26 -1.44 114.28 109.80 2dly n THR 39 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 2dly n THR 39 Cb 0.65 -0.38 0.00 0.00 -1.82 0.00 0.00 70.33 68.78 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 5.26 2.07 3.70 3.41 0.00 0.47 -4.86 105.19 115.24 2dly n GLY 40 Ca 0.39 -0.31 -0.59 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.52 -2.57 4.61 0.00 -0.52 -3.33 120.51 118.18 2dly n ALA 41 Ca 0.00 0.42 -0.21 0.00 0.00 0.00 0.00 53.44 53.65 2dly n ALA 41 Cb 0.00 -2.15 -0.12 0.00 0.00 0.00 0.00 19.45 17.18 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 3.15 1.53 -0.27 0.00 -0.71 -0.95 0.19 117.98 120.92 2dly s PHE 42 Ca 0.98 -0.47 -0.16 0.00 -1.04 0.00 0.00 56.93 56.24 2dly s PHE 42 Cb -1.14 -0.82 0.08 0.00 -1.21 0.00 0.00 43.02 39.93 2dly s PHE 42 CO 0.67 0.16 0.68 -0.48 -1.34 0.00 0.00 175.22 174.90 2dly s LEU 43 N -2.07 -0.88 -0.10 -1.99 0.05 0.11 -0.26 118.68 113.53 2dly s LEU 43 Ca 0.05 1.48 -0.05 0.00 0.05 0.00 0.00 54.13 55.66 2dly s LEU 43 Cb -0.08 2.34 -0.04 0.00 -2.05 0.00 0.00 46.19 46.36 2dly s LEU 43 CO 0.04 -0.24 0.09 -0.63 -0.55 0.00 0.00 176.35 175.06 2dly s ILE 44 N 1.53 5.05 0.25 1.48 1.09 0.13 -0.78 121.20 129.95 2dly s ILE 44 Ca -0.09 0.02 0.01 0.00 -1.10 0.00 0.00 60.65 59.49 2dly s ILE 44 Cb -0.05 -3.18 -0.05 0.00 -1.06 0.00 0.00 42.46 38.12 2dly s ILE 44 CO -0.18 0.60 0.09 0.00 -0.10 0.00 0.00 174.94 175.35 2dly s ARG 45 N -1.01 1.40 -0.27 2.79 1.70 -0.76 -2.19 118.95 120.60 2dly s ARG 45 Ca 0.15 -1.75 -0.17 0.00 -0.47 0.00 0.00 55.73 53.49 2dly s ARG 45 Cb -0.12 -0.29 -0.03 0.00 -0.57 0.00 0.00 34.95 33.94 2dly s ARG 45 CO 0.04 -0.28 0.46 -1.21 -1.08 0.00 0.00 175.30 173.23 2dly s GLU 46 N -4.02 4.01 0.09 3.89 2.02 0.25 -1.33 118.70 123.61 2dly s GLU 46 Ca 0.37 0.17 -0.24 0.00 0.02 0.00 0.00 54.97 55.28 2dly s GLU 46 Cb 0.08 -3.67 -0.14 0.00 0.10 0.00 0.00 34.13 30.50 2dly s GLU 46 CO 0.13 -0.35 0.54 0.45 0.02 0.00 0.00 175.26 176.06 2dly n SER 47 N 5.47 -0.58 -0.06 -0.19 2.88 0.82 -4.12 113.62 117.84 2dly n SER 47 Ca -0.06 0.85 -0.06 0.00 -1.33 0.00 0.00 58.87 58.27 2dly n SER 47 Cb 0.50 -0.70 -0.06 0.00 -0.75 0.00 0.00 64.21 63.20 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 1.31 0.00 0.16 -1.46 4.57 -1.91 -3.38 114.58 113.87 2dly h GLU 48 Ca -0.27 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 57.92 2dly h GLU 48 Cb 1.07 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.62 2dly h GLU 48 CO 0.45 0.42 -0.37 1.03 -1.18 0.00 0.00 179.01 179.36 2dly h SER 49 N -1.00 -1.06 -2.44 1.04 0.87 -1.98 -3.43 113.55 105.55 2dly h SER 49 Ca -0.01 0.12 -0.53 0.00 -1.23 0.00 0.00 61.79 60.14 2dly h SER 49 Cb 0.45 0.40 -0.05 0.00 -0.44 0.00 0.00 62.40 62.75 2dly h SER 49 CO -0.00 -0.46 -0.52 -1.58 -0.53 0.00 0.00 176.83 173.73 2dly s GLN 50 N -5.97 3.04 -0.23 2.24 2.00 -1.26 -5.11 119.66 114.37 2dly s GLN 50 Ca -0.16 -0.89 -0.07 0.00 -2.00 0.00 0.00 55.36 52.24 2dly s GLN 50 Cb 0.07 -2.68 -0.03 0.00 0.80 0.00 0.00 33.01 31.17 2dly s GLN 50 CO 0.64 0.45 0.07 0.21 -0.50 0.00 0.00 175.29 176.16 2dly s LYS 51 N -3.49 3.71 0.00 1.67 2.36 -1.26 -4.27 119.74 118.46 2dly s LYS 51 Ca 0.32 -0.46 0.00 0.00 -2.55 0.00 0.00 55.97 53.29 2dly s LYS 51 Cb -0.09 -3.29 0.00 0.00 -1.05 0.00 0.00 37.83 33.40 2dly s LYS 51 CO 0.25 -0.09 0.00 0.41 1.55 0.00 0.00 175.35 177.47 2dly n GLY 52 N 4.63 2.11 3.80 5.54 0.00 -1.26 -5.08 105.19 114.94 2dly n GLY 52 Ca -0.16 -0.61 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.37 5.21 0.04 1.61 1.11 -1.26 -4.89 116.67 118.11 2dly s ASP 53 Ca 0.00 1.72 0.03 0.00 0.18 0.00 0.00 52.55 54.48 2dly s ASP 53 Cb 0.00 -2.51 -0.02 0.00 1.07 0.00 0.00 42.92 41.46 2dly s ASP 53 CO 0.00 -1.56 -0.10 -0.36 1.18 0.00 0.00 175.17 174.33 2dly s PHE 54 N -2.89 0.88 -0.08 4.23 0.40 -1.26 -0.13 117.98 119.14 2dly s PHE 54 Ca 0.60 -0.40 0.03 0.00 -0.60 0.00 0.00 56.93 56.55 2dly s PHE 54 Cb -0.15 -0.52 0.01 0.00 0.51 0.00 0.00 43.02 42.86 2dly s PHE 54 CO 0.52 -0.02 -0.15 0.45 0.70 0.00 0.00 175.22 176.72 2dly s SER 55 N -1.32 2.20 -0.33 1.36 0.15 -0.44 -1.64 113.70 113.67 2dly s SER 55 Ca -0.04 -0.38 -0.16 0.00 0.70 0.00 0.00 55.95 56.07 2dly s SER 55 Cb -0.08 -1.01 -0.01 0.00 -1.71 0.00 0.00 66.02 63.20 2dly s SER 55 CO 0.01 0.06 0.41 -0.22 1.20 0.00 0.00 173.24 174.70 2dly s LEU 56 N 0.65 4.35 -0.31 3.45 2.96 -0.23 -1.84 118.68 127.71 2dly s LEU 56 Ca -0.14 -0.09 -0.08 0.00 -0.22 0.00 0.00 54.13 53.60 2dly s LEU 56 Cb -0.16 -2.43 0.01 0.00 0.50 0.00 0.00 46.19 44.10 2dly s LEU 56 CO 0.04 -0.36 0.12 -0.44 -1.32 0.00 0.00 176.35 174.39 2dly s SER 57 N 1.73 5.37 0.09 3.68 0.01 0.04 -1.01 113.70 123.59 2dly s SER 57 Ca 0.15 -0.68 0.09 0.00 1.31 0.00 0.00 55.95 56.82 2dly s SER 57 Cb -0.16 -1.94 -0.04 0.00 0.21 0.00 0.00 66.02 64.09 2dly s SER 57 CO 0.12 -0.22 -0.21 -0.69 0.41 0.00 0.00 173.24 172.65 2dly s VAL 58 N 1.55 2.62 -0.16 3.43 1.01 -1.13 -0.71 120.40 127.01 2dly s VAL 58 Ca 0.03 -1.45 -0.13 0.00 0.00 0.00 0.00 61.98 60.43 2dly s VAL 58 Cb -0.17 -2.14 -0.05 0.00 0.00 0.00 0.00 36.38 34.02 2dly s VAL 58 CO 0.04 0.20 0.27 -0.22 0.00 0.00 0.00 175.10 175.39 2dly s LEU 59 N -1.81 4.26 -0.44 3.92 2.96 0.13 -1.10 118.68 126.59 2dly s LEU 59 Ca 0.15 0.49 0.03 0.00 -0.22 0.00 0.00 54.13 54.58 2dly s LEU 59 Cb -0.10 -2.33 0.16 0.00 0.50 0.00 0.00 46.19 44.42 2dly s LEU 59 CO 0.07 0.14 0.31 -0.62 -1.32 0.00 0.00 176.35 174.93 2dly s ASP 60 N 0.28 2.72 -0.67 3.68 2.15 0.10 -0.39 116.67 124.55 2dly s ASP 60 Ca 0.16 -2.88 -0.02 0.00 0.43 0.00 0.00 52.55 50.24 2dly s ASP 60 Cb -0.13 -0.72 0.00 0.00 -0.30 0.00 0.00 42.92 41.78 2dly s ASP 60 CO 0.03 -0.21 0.28 -0.62 -0.17 0.00 0.00 175.17 174.49 2dly n GLU 61 N 3.15 -2.23 0.00 4.34 1.02 -1.26 -2.83 120.64 122.83 2dly n GLU 61 Ca 0.20 0.39 0.00 0.00 -0.02 0.00 0.00 57.16 57.73 2dly n GLU 61 Cb 0.41 -4.17 0.00 0.00 -0.02 0.00 0.00 31.44 27.66 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 -1.09 1.14 3.88 0.62 0.00 -1.26 -5.05 105.19 103.43 2dly n GLY 62 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 2dly n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dly s VAL 63 N -2.29 5.04 -0.33 1.61 0.11 -1.13 -4.83 120.40 118.58 2dly s VAL 63 Ca 0.00 0.33 -0.05 0.00 -2.93 0.00 0.00 61.98 59.33 2dly s VAL 63 Cb 0.00 -3.63 0.05 0.00 -1.53 0.00 0.00 36.38 31.27 2dly s VAL 63 CO 0.00 0.04 0.08 -0.69 -3.33 0.00 0.00 175.10 171.20 2dly s VAL 64 N -1.68 3.47 -0.44 2.04 1.01 -1.26 0.01 120.40 123.55 2dly s VAL 64 Ca 0.42 -1.31 -0.21 0.00 0.00 0.00 0.00 61.98 60.88 2dly s VAL 64 Cb -0.12 -3.01 0.02 0.00 0.00 0.00 0.00 36.38 33.27 2dly s VAL 64 CO 0.22 -0.20 0.68 -0.54 0.00 0.00 0.00 175.10 175.26 2dly s LYS 65 N 1.33 3.34 -0.45 2.72 3.01 -0.26 -4.91 119.74 124.52 2dly s LYS 65 Ca -0.02 -0.27 -0.26 0.00 -1.01 0.00 0.00 55.97 54.41 2dly s LYS 65 Cb -0.20 -3.94 0.03 0.00 -1.01 0.00 0.00 37.83 32.71 2dly s LYS 65 CO 0.01 -1.02 0.93 -1.01 0.51 0.00 0.00 175.35 174.77 2dly s HIS 66 N 2.94 2.94 -0.23 3.18 3.76 -1.26 -2.82 115.29 123.80 2dly s HIS 66 Ca 0.25 0.46 -0.07 0.00 -0.15 0.00 0.00 55.06 55.55 2dly s HIS 66 Cb -0.14 -3.94 -0.03 0.00 1.11 0.00 0.00 32.58 29.58 2dly s HIS 66 CO 0.20 -1.07 0.05 0.71 -0.85 0.00 0.00 174.74 173.78 2dly s TYR 67 N 3.75 3.09 0.20 1.40 2.02 -0.18 -4.96 117.35 122.66 2dly s TYR 67 Ca 0.38 -0.38 -0.30 0.00 -0.37 0.00 0.00 57.07 56.40 2dly s TYR 67 Cb -0.10 -2.18 -0.09 0.00 -0.40 0.00 0.00 41.96 39.19 2dly s TYR 67 CO 0.25 -0.27 1.28 1.03 -1.57 0.00 0.00 175.55 176.27 2dly s ARG 68 N 1.32 4.41 -0.61 -0.62 1.81 -1.26 -1.07 118.95 122.93 2dly s ARG 68 Ca 0.05 2.02 -0.07 0.00 -1.72 0.00 0.00 55.73 56.00 2dly s ARG 68 Cb -0.15 -3.20 0.16 0.00 -0.45 0.00 0.00 34.95 31.31 2dly s ARG 68 CO 0.03 -0.21 0.47 0.42 -0.68 0.00 0.00 175.30 175.34 2dly s ILE 69 N 0.00 4.27 0.01 1.52 1.01 -0.65 -4.54 121.20 122.82 2dly s ILE 69 Ca 0.55 -2.45 -0.24 0.00 0.00 0.00 0.00 60.65 58.52 2dly s ILE 69 Cb -0.36 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.30 2dly s ILE 69 CO 0.39 -0.87 0.72 -0.13 0.00 0.00 0.00 174.94 175.04 2dly s ARG 70 N 0.48 4.45 0.09 2.79 0.52 -0.66 -4.08 118.95 122.55 2dly s ARG 70 Ca 0.13 0.96 0.05 0.00 -0.52 0.00 0.00 55.73 56.35 2dly s ARG 70 Cb -0.20 -3.38 -0.04 0.00 0.52 0.00 0.00 34.95 31.85 2dly s ARG 70 CO -0.04 0.25 0.02 1.03 0.02 0.00 0.00 175.30 176.58 2dly s ARG 71 N 0.10 2.62 0.61 3.54 3.00 -1.26 -0.82 118.95 126.74 2dly s ARG 71 Ca 0.37 -0.82 0.09 0.00 0.00 0.00 0.00 55.73 55.37 2dly s ARG 71 Cb -0.19 -2.57 0.10 0.00 0.00 0.00 0.00 34.95 32.28 2dly s ARG 71 CO 0.21 0.54 0.84 -0.51 0.00 0.00 0.00 175.30 176.38 2dly s LEU 72 N -2.38 3.01 -0.01 2.53 2.01 0.12 -4.97 118.68 118.99 2dly s LEU 72 Ca 0.27 -0.89 0.16 0.00 0.01 0.00 0.00 54.13 53.68 2dly s LEU 72 Cb -0.12 -1.49 -0.22 0.00 0.01 0.00 0.00 46.19 44.37 2dly s LEU 72 CO 0.19 -1.47 0.48 0.47 1.01 0.00 0.00 176.35 177.03 2dly n ASP 73 N -2.34 1.08 -0.01 2.29 9.92 -1.26 -4.46 116.55 121.76 2dly n ASP 73 Ca 0.17 -0.35 0.06 0.00 -0.53 0.00 0.00 54.79 54.13 2dly n ASP 73 Cb 0.62 1.44 -0.11 0.00 -0.64 0.00 0.00 41.12 42.43 2dly n ASP 73 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 2dly n GLU 74 N -1.78 0.59 0.00 -1.24 0.28 -1.26 -4.98 120.64 112.25 2dly n GLU 74 Ca -0.01 -0.12 0.00 0.00 -0.16 0.00 0.00 57.16 56.88 2dly n GLU 74 Cb 0.35 -1.34 0.00 0.00 1.43 0.00 0.00 31.44 31.88 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 1.74 1.10 0.00 -1.84 0.00 -1.26 -5.17 105.19 99.76 2dly n GLY 75 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 4.97 1.21 3.74 -0.02 0.00 -1.12 -4.86 105.19 109.11 2dly n GLY 76 Ca 0.00 0.22 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 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 1.76 2.74 -0.29 1.61 0.40 -0.83 0.16 117.98 123.53 2dly s PHE 77 Ca 0.00 -0.36 -0.16 0.00 -0.60 0.00 0.00 56.93 55.81 2dly s PHE 77 Cb 0.00 -1.63 0.17 0.00 0.51 0.00 0.00 43.02 42.07 2dly s PHE 77 CO 0.00 0.34 1.09 -0.59 0.70 0.00 0.00 175.22 176.76 2dly s PHE 78 N -2.40 -0.37 -0.22 0.36 -0.12 0.00 0.26 117.98 115.50 2dly s PHE 78 Ca 0.38 0.73 0.21 0.00 -0.05 0.00 0.00 56.93 58.19 2dly s PHE 78 Cb -0.03 0.22 -0.01 0.00 -0.63 0.00 0.00 43.02 42.57 2dly s PHE 78 CO 0.23 -0.18 1.04 1.25 -0.05 0.00 0.00 175.22 177.50 2dly h LEU 79 N 5.80 0.00 -7.17 -1.99 5.85 -1.80 -1.74 115.31 114.26 2dly h LEU 79 Ca -0.26 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.36 2dly h LEU 79 Cb 1.17 0.00 -0.26 0.00 0.37 0.00 0.00 40.66 41.94 2dly h LEU 79 CO 0.20 0.15 -0.30 0.28 -0.34 0.00 0.00 178.44 178.43 2dly s THR 80 N -3.24 -0.27 0.34 1.05 -1.32 -1.26 -4.84 115.64 106.09 2dly s THR 80 Ca -0.01 0.11 0.22 0.00 -1.21 0.00 0.00 61.69 60.81 2dly s THR 80 Cb 0.09 -0.66 0.35 0.00 -1.51 0.00 0.00 72.50 70.77 2dly s THR 80 CO 0.79 0.05 1.34 0.54 -2.21 0.00 0.00 174.62 175.12 2dly n ARG 81 N 4.70 -0.04 -0.26 7.08 5.12 -1.26 0.63 116.66 132.64 2dly n ARG 81 Ca -0.17 1.13 0.01 0.00 -1.93 0.00 0.00 57.85 56.89 2dly n ARG 81 Cb 0.53 -2.11 0.08 0.00 -1.16 0.00 0.00 32.46 29.81 2dly n ARG 81 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2dly h ARG 82 N 0.00 -0.01 -6.26 5.56 2.47 -1.99 -3.40 114.38 110.74 2dly h ARG 82 Ca 0.73 0.00 -0.58 0.00 -1.26 0.00 0.00 59.98 58.88 2dly h ARG 82 Cb 2.11 0.00 -0.22 0.00 -1.65 0.00 0.00 29.97 30.21 2dly h ARG 82 CO -0.55 -0.00 -0.83 0.21 0.56 0.00 0.00 179.97 179.35 2dly s LYS 83 N -6.23 1.17 -0.01 0.04 2.47 0.21 -5.15 119.74 112.24 2dly s LYS 83 Ca -0.14 -1.18 -0.00 0.00 -1.56 0.00 0.00 55.97 53.08 2dly s LYS 83 Cb 0.21 -1.46 0.01 0.00 -1.46 0.00 0.00 37.83 35.13 2dly s LYS 83 CO 0.75 0.34 0.02 0.08 0.16 0.00 0.00 175.35 176.70 2dly s VAL 84 N -1.14 -0.01 0.29 4.02 1.01 -1.26 -4.06 120.40 119.25 2dly s VAL 84 Ca 0.07 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.11 2dly s VAL 84 Cb -0.10 -0.04 0.01 0.00 0.00 0.00 0.00 36.38 36.25 2dly s VAL 84 CO 0.04 0.02 0.08 0.49 0.00 0.00 0.00 175.10 175.73 2dly n PHE 85 N 3.30 0.09 -0.09 5.22 3.72 0.14 -5.00 117.46 124.84 2dly n PHE 85 Ca -0.15 -1.38 -0.16 0.00 -0.05 0.00 0.00 57.45 55.70 2dly n PHE 85 Cb 0.58 -0.21 -0.07 0.00 -0.94 0.00 0.00 39.48 38.84 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 -1.43 1.88 -4.26 4.37 7.64 -1.26 -1.96 113.62 118.60 2dly n SER 86 Ca -0.08 0.09 -0.14 0.00 1.01 0.00 0.00 58.87 59.75 2dly n SER 86 Cb 0.36 -0.43 -0.10 0.00 -1.01 0.00 0.00 64.21 63.03 2dly n SER 86 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2dly s THR 87 N -2.34 0.65 0.59 0.44 -4.23 -1.26 -3.52 115.64 105.96 2dly s THR 87 Ca -0.25 -1.98 0.29 0.00 -1.18 0.00 0.00 61.69 58.57 2dly s THR 87 Cb 0.08 -2.23 0.38 0.00 1.34 0.00 0.00 72.50 72.07 2dly s THR 87 CO 0.36 -0.37 1.90 -0.07 -0.54 0.00 0.00 174.62 175.90 2dly h LEU 88 N 2.63 0.00 0.09 4.79 3.38 -1.98 -1.78 115.31 122.45 2dly h LEU 88 Ca -0.37 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 2dly h LEU 88 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2dly h LEU 88 CO 0.62 0.00 -0.05 -1.13 0.09 0.00 0.00 178.44 177.98 2dly h ASN 89 N 0.00 -0.11 0.00 -0.43 -0.73 -2.00 -2.82 115.58 109.49 2dly h ASN 89 Ca 0.21 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.38 2dly h ASN 89 Cb 1.15 0.03 0.00 0.00 0.27 0.00 0.00 38.32 39.77 2dly h ASN 89 CO -0.00 -0.07 0.08 -0.33 -0.37 0.00 0.00 177.43 176.74 2dly h GLU 90 N -0.15 0.00 -0.42 6.67 5.08 -1.88 0.24 114.58 124.12 2dly h GLU 90 Ca -0.01 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 2dly h GLU 90 Cb 0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2dly h GLU 90 CO 0.02 0.00 -0.24 0.35 -1.00 0.00 0.00 179.01 178.14 2dly h PHE 91 N 0.00 1.05 0.08 4.33 3.04 -1.16 -3.01 116.94 121.27 2dly h PHE 91 Ca 0.00 -0.27 -0.36 0.00 3.98 0.00 0.00 57.97 61.32 2dly h PHE 91 Cb 0.16 -0.24 -0.03 0.00 2.56 0.00 0.00 35.95 38.40 2dly h PHE 91 CO 0.00 1.07 -2.04 0.28 -2.02 0.00 0.00 178.31 175.61 2dly n VAL 92 N -4.16 1.69 0.26 1.41 0.31 -0.41 -3.70 118.33 113.72 2dly n VAL 92 Ca -0.01 -0.56 0.12 0.00 -0.01 0.00 0.00 64.34 63.88 2dly n VAL 92 Cb 0.47 -1.71 0.66 0.00 -0.91 0.00 0.00 33.84 32.34 2dly n VAL 92 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 2dly h ASN 93 N -0.11 0.00 0.00 4.52 -1.24 -1.12 0.70 115.58 118.33 2dly h ASN 93 Ca -0.46 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.55 2dly h ASN 93 Cb 1.91 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.96 2dly h ASN 93 CO -0.00 0.00 -0.16 0.00 -1.29 0.00 0.00 177.43 175.98 2dly n TYR 94 N -2.54 0.27 0.11 0.67 4.19 -1.14 -4.28 117.16 114.44 2dly n TYR 94 Ca -0.02 0.12 0.20 0.00 3.31 0.00 0.00 57.90 61.51 2dly n TYR 94 Cb 0.30 -0.39 0.73 0.00 0.49 0.00 0.00 39.34 40.46 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 -0.30 0.00 0.00 2.98 0.05 -1.58 0.18 116.97 118.29 2dly h TYR 95 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2dly h TYR 95 Cb 0.16 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.90 2dly h TYR 95 CO -0.07 0.00 0.06 0.25 -1.05 0.00 0.00 178.16 177.35 2dly n THR 96 N -3.55 1.47 -0.11 -2.88 -2.24 0.22 -1.12 114.28 106.07 2dly n THR 96 Ca 0.07 0.59 -0.13 0.00 -2.27 0.00 0.00 64.05 62.31 2dly n THR 96 Cb 0.65 -1.59 -0.13 0.00 -2.10 0.00 0.00 70.33 67.16 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 -1.73 1.36 -3.58 4.28 -2.24 0.62 -4.80 114.28 108.19 2dly n THR 97 Ca -0.00 -0.68 -0.17 0.00 -2.27 0.00 0.00 64.05 60.93 2dly n THR 97 Cb 0.07 -0.90 -0.07 0.00 -2.10 0.00 0.00 70.33 67.33 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 -2.48 0.01 -0.29 4.28 -1.32 -0.28 -5.04 115.64 110.53 2dly s THR 98 Ca -0.21 -0.10 -0.00 0.00 -1.21 0.00 0.00 61.69 60.17 2dly s THR 98 Cb 0.07 -0.91 0.26 0.00 -1.51 0.00 0.00 72.50 70.41 2dly s THR 98 CO 0.68 -0.06 1.84 -1.54 -2.21 0.00 0.00 174.62 173.33 2dly n SER 99 N 1.13 5.50 -3.53 8.08 3.41 -1.26 -4.33 113.62 122.62 2dly n SER 99 Ca -0.19 -2.99 -0.25 0.00 -0.26 0.00 0.00 58.87 55.18 2dly n SER 99 Cb 0.57 -0.93 -0.15 0.00 -0.26 0.00 0.00 64.21 63.44 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 0.11 -0.46 0.00 4.04 2.03 -1.26 0.19 116.55 121.20 2dly n ASP 100 Ca 0.31 -0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.47 2dly n ASP 100 Cb 0.74 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 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 4.71 2.33 3.76 0.27 0.00 -1.26 -5.01 105.19 109.99 2dly n GLY 101 Ca 0.53 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 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 4.08 0.30 0.99 1.43 0.49 -4.91 118.68 121.07 2dly s LEU 102 Ca 0.00 2.64 0.03 0.00 -1.03 0.00 0.00 54.13 55.77 2dly s LEU 102 Cb 0.00 -4.06 0.63 0.00 0.03 0.00 0.00 46.19 42.79 2dly s LEU 102 CO 0.00 -1.06 1.84 0.00 0.23 0.00 0.00 176.35 177.36 2dly s VAL 104 N -5.89 0.20 0.01 0.00 0.11 -1.26 -5.06 120.40 108.51 2dly s VAL 104 Ca -0.11 -1.64 -0.18 0.00 -2.93 0.00 0.00 61.98 57.12 2dly s VAL 104 Cb 0.22 -1.29 -0.06 0.00 -1.53 0.00 0.00 36.38 33.73 2dly s VAL 104 CO 0.80 -0.90 0.51 -0.75 -3.33 0.00 0.00 175.10 171.43 2dly s LYS 105 N -3.47 4.17 -0.12 1.54 2.20 -1.26 -4.64 119.74 118.15 2dly s LYS 105 Ca 0.03 0.60 -0.29 0.00 -0.36 0.00 0.00 55.97 55.94 2dly s LYS 105 Cb 0.05 -3.29 -0.05 0.00 -1.51 0.00 0.00 37.83 33.03 2dly s LYS 105 CO -0.08 0.52 1.77 -0.51 -0.36 0.00 0.00 175.35 176.69 2dly s LEU 106 N -0.64 4.07 -0.07 5.43 1.43 -1.25 -4.70 118.68 122.95 2dly s LEU 106 Ca 0.27 2.05 -0.06 0.00 -1.03 0.00 0.00 54.13 55.36 2dly s LEU 106 Cb -0.18 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.49 2dly s LEU 106 CO 0.16 -1.21 -0.12 -0.62 0.23 0.00 0.00 176.35 174.79 2dly n GLU 107 N 7.62 0.23 -4.04 1.70 1.02 -1.21 -4.35 120.64 121.60 2dly n GLU 107 Ca 0.20 0.26 -0.11 0.00 -0.02 0.00 0.00 57.16 57.50 2dly n GLU 107 Cb 0.44 -1.09 -0.11 0.00 -0.02 0.00 0.00 31.44 30.66 2dly n GLU 107 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2dly s LYS 108 N -1.72 0.47 0.35 3.49 1.02 -1.26 -5.04 119.74 117.06 2dly s LYS 108 Ca -0.10 -0.78 -0.27 0.00 0.02 0.00 0.00 55.97 54.84 2dly s LYS 108 Cb 0.01 -0.09 -0.09 0.00 -0.52 0.00 0.00 37.83 37.14 2dly s LYS 108 CO 0.14 -0.01 1.21 -1.25 -0.92 0.00 0.00 175.35 174.53 2dly s PRO 109 N -1.90 4.27 0.25 -1.68 0.04 -1.26 -2.23 135.00 132.49 2dly s PRO 109 Ca -0.09 1.98 -0.31 0.00 0.04 0.00 0.00 61.00 62.62 2dly s PRO 109 Cb -0.07 -2.92 -0.14 0.00 0.04 0.00 0.00 34.50 31.41 2dly s PRO 109 CO -0.01 -0.17 1.30 0.00 0.04 0.00 0.00 177.00 178.15 2dly s LEU 111 N 0.10 3.81 -0.17 0.00 0.05 -1.26 -4.70 118.68 116.52 2dly s LEU 111 Ca 0.66 2.34 -0.11 0.00 0.05 0.00 0.00 54.13 57.07 2dly s LEU 111 Cb -0.68 -4.45 -0.05 0.00 -2.05 0.00 0.00 46.19 38.96 2dly s LEU 111 CO 0.53 -1.28 0.20 -0.54 -0.55 0.00 0.00 176.35 174.71 2dly s LYS 112 N -3.08 4.12 -0.05 1.48 1.02 -1.26 -4.96 119.74 117.01 2dly s LYS 112 Ca 0.71 -0.07 -0.00 0.00 0.02 0.00 0.00 55.97 56.63 2dly s LYS 112 Cb -0.29 -3.39 -0.03 0.00 -0.52 0.00 0.00 37.83 33.60 2dly s LYS 112 CO 0.33 0.34 -0.01 0.42 -0.92 0.00 0.00 175.35 175.52 2dly s ILE 113 N 0.20 4.16 -0.90 2.17 1.01 -1.26 -5.02 121.20 121.56 2dly s ILE 113 Ca 0.13 -0.40 -0.25 0.00 0.00 0.00 0.00 60.65 60.12 2dly s ILE 113 Cb -0.12 -2.78 -0.10 0.00 0.01 0.00 0.00 42.46 39.47 2dly s ILE 113 CO 0.01 0.53 2.14 -1.10 0.00 0.00 0.00 174.94 176.52 2dly s GLN 114 N -1.10 2.06 -0.58 2.79 1.11 -1.26 -4.75 119.66 117.94 2dly s GLN 114 Ca 0.15 -0.07 0.01 0.00 0.01 0.00 0.00 55.36 55.46 2dly s GLN 114 Cb -0.11 -4.96 0.54 0.00 -1.01 0.00 0.00 33.01 27.46 2dly s GLN 114 CO 0.05 -4.03 1.98 1.33 0.01 0.00 0.00 175.29 174.63 2dly n VAL 115 N 8.33 3.45 -0.05 1.09 0.24 -1.26 -4.44 118.33 125.69 2dly n VAL 115 Ca 0.43 -2.55 -0.22 0.00 -2.04 0.00 0.00 64.34 59.97 2dly n VAL 115 Cb 0.45 -0.88 -0.13 0.00 -1.47 0.00 0.00 33.84 31.81 2dly n VAL 115 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2dly h SER 116 N 1.61 0.20 -0.62 -1.34 0.02 -2.00 -3.51 113.55 107.92 2dly h SER 116 Ca 0.62 -0.72 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2dly h SER 116 Cb 1.63 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 64.10 2dly h SER 116 CO 1.39 1.66 0.00 0.61 -1.14 0.00 0.00 176.83 179.35 2dly n GLY 117 N 1.69 4.09 3.64 -3.77 0.00 -1.26 -5.16 105.19 104.42 2dly n GLY 117 Ca -0.32 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 44.81 2dly n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dly s PRO 118 N -2.41 -0.23 0.05 1.61 0.04 -1.26 -4.98 135.00 127.82 2dly s PRO 118 Ca 0.00 0.28 -0.25 0.00 0.04 0.00 0.00 61.00 61.08 2dly s PRO 118 Cb 0.00 -1.68 -0.17 0.00 0.04 0.00 0.00 34.50 32.69 2dly s PRO 118 CO 0.00 -3.12 1.54 0.66 0.04 0.00 0.00 177.00 176.12 2dly h SER 119 N -2.17 -0.11 -0.85 6.66 4.64 -2.03 -3.45 113.55 116.24 2dly h SER 119 Ca -0.52 -0.15 -0.62 0.00 -0.47 0.00 0.00 61.79 60.04 2dly h SER 119 Cb 1.32 0.03 -0.10 0.00 -0.31 0.00 0.00 62.40 63.34 2dly h SER 119 CO 0.50 0.08 -0.47 -0.94 -0.87 0.00 0.00 176.83 175.12 2dly s SER 120 N -5.23 4.29 0.00 4.97 1.04 -1.26 -5.33 113.70 112.18 2dly s SER 120 Ca -0.14 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 54.90 2dly s SER 120 Cb 0.04 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.32 2dly s SER 120 CO 0.65 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.68