#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dly s SER 2 N 0.00 1.99 0.08 1.61 0.15 -1.26 -5.05 113.70 111.22 2dly s SER 2 Ca 0.00 -0.34 -0.31 0.00 0.70 0.00 0.00 55.95 56.00 2dly s SER 2 Cb 0.00 -0.92 -0.17 0.00 -1.71 0.00 0.00 66.02 63.22 2dly s SER 2 CO 0.00 0.05 1.64 0.28 1.20 0.00 0.00 173.24 176.41 2dly h SER 3 N 6.95 -0.69 0.00 5.45 0.02 -2.03 -3.49 113.55 119.75 2dly h SER 3 Ca -0.29 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 2dly h SER 3 Cb 1.19 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.93 2dly h SER 3 CO 0.47 -0.46 0.00 0.61 -1.14 0.00 0.00 176.83 176.32 2dly n GLY 4 N -1.42 -0.12 4.30 -3.77 0.00 -1.26 -5.03 105.19 97.88 2dly n GLY 4 Ca -0.12 -0.99 -0.36 0.00 0.00 0.00 0.00 46.02 44.55 2dly n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dly n SER 5 N 0.00 -1.99 -3.83 1.61 2.88 -1.26 -0.45 113.62 110.58 2dly n SER 5 Ca 0.00 -1.11 -0.32 0.00 -1.33 0.00 0.00 58.87 56.11 2dly n SER 5 Cb 0.00 -2.31 -0.06 0.00 -0.75 0.00 0.00 64.21 61.09 2dly n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dly n SER 6 N -2.67 -1.20 -0.83 -3.46 2.88 -1.26 -4.18 113.62 102.91 2dly n SER 6 Ca -0.01 -0.96 0.00 0.00 -1.33 0.00 0.00 58.87 56.58 2dly n SER 6 Cb 0.53 -1.22 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 2dly n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dly n GLY 7 N -1.05 -3.69 3.51 0.46 0.00 0.41 -4.96 105.19 99.87 2dly n GLY 7 Ca 0.06 -0.98 -0.34 0.00 0.00 0.00 0.00 46.02 44.76 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 -3.59 3.00 0.08 4.61 0.00 -1.26 -5.03 121.76 119.57 2dly s ALA 8 Ca 0.00 -0.82 -0.31 0.00 0.00 0.00 0.00 51.96 50.82 2dly s ALA 8 Cb 0.00 -1.51 -0.15 0.00 0.00 0.00 0.00 23.12 21.46 2dly s ALA 8 CO 0.00 0.27 1.49 0.93 0.00 0.00 0.00 175.76 178.44 2dly h GLU 9 N 6.50 -0.83 -6.55 0.00 4.39 -1.94 -3.41 114.58 112.76 2dly h GLU 9 Ca -0.33 0.06 -0.52 0.00 0.34 0.00 0.00 59.36 58.90 2dly h GLU 9 Cb 1.19 0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 30.02 2dly h GLU 9 CO 0.61 -0.55 0.44 -0.51 -1.16 0.00 0.00 179.01 177.84 2dly s ASP 10 N -4.13 7.31 0.08 1.42 1.01 -1.26 -4.91 116.67 116.19 2dly s ASP 10 Ca -0.15 1.91 0.00 0.00 0.71 0.00 0.00 52.55 55.01 2dly s ASP 10 Cb 0.04 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.38 2dly s ASP 10 CO 0.53 -0.24 0.00 0.54 0.21 0.00 0.00 175.17 176.21 2dly n ARG 11 N 3.12 0.00 0.12 8.23 1.74 -1.26 -4.75 116.66 123.85 2dly n ARG 11 Ca 0.05 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.22 2dly n ARG 11 Cb 0.48 -0.30 0.47 0.00 -1.02 0.00 0.00 32.46 32.10 2dly n ARG 11 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2dly n SER 12 N -3.09 0.49 0.24 0.55 2.88 -1.26 -2.13 113.62 111.29 2dly n SER 12 Ca 0.00 0.69 0.17 0.00 -1.33 0.00 0.00 58.87 58.40 2dly n SER 12 Cb 0.17 -0.77 0.88 0.00 -0.75 0.00 0.00 64.21 63.74 2dly n SER 12 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2dly h LEU 13 N 0.00 0.00 -1.91 2.46 6.46 -1.98 -0.27 115.31 120.07 2dly h LEU 13 Ca 0.00 0.00 0.01 0.00 -0.12 0.00 0.00 57.88 57.77 2dly h LEU 13 Cb 0.13 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 2dly h LEU 13 CO 0.00 0.00 0.08 0.06 -0.62 0.00 0.00 178.44 177.96 2dly h GLN 14 N 0.00 0.12 -0.18 1.25 3.07 -1.79 -1.17 115.11 116.41 2dly h GLN 14 Ca 0.06 -0.01 -0.02 0.00 0.09 0.00 0.00 58.65 58.78 2dly h GLN 14 Cb 0.42 -0.03 -0.01 0.00 0.08 0.00 0.00 27.48 27.94 2dly h GLN 14 CO -0.00 0.08 0.03 0.00 0.09 0.00 0.00 178.83 179.03 2dly h ALA 15 N 1.93 1.72 -1.96 0.06 0.00 -1.29 -3.44 119.26 116.29 2dly h ALA 15 Ca 0.05 -0.09 -0.63 0.00 0.00 0.00 0.00 54.91 54.24 2dly h ALA 15 Cb 0.04 -0.08 0.06 0.00 0.00 0.00 0.00 17.79 17.81 2dly h ALA 15 CO -0.01 0.22 0.58 0.39 0.00 0.00 0.00 179.25 180.43 2dly n GLU 16 N -4.42 1.59 -0.08 0.00 -0.58 -0.44 -4.90 120.64 111.82 2dly n GLU 16 Ca -0.00 0.57 -0.13 0.00 -0.42 0.00 0.00 57.16 57.18 2dly n GLU 16 Cb 0.15 -2.25 -0.05 0.00 -0.57 0.00 0.00 31.44 28.71 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 4.93 0.56 0.00 3.49 0.13 -1.88 -2.91 132.00 136.33 2dly h PRO 17 Ca -0.46 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.37 2dly h PRO 17 Cb 1.30 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2dly h PRO 17 CO 0.81 0.89 0.00 -2.67 -0.23 0.00 0.00 178.00 176.80 2dly n TRP 18 N -4.38 0.25 -3.03 1.56 4.27 -1.26 -4.55 117.44 110.29 2dly n TRP 18 Ca -0.05 0.10 -0.43 0.00 -3.89 0.00 0.00 57.50 53.23 2dly n TRP 18 Cb 0.43 -0.66 -0.06 0.00 -1.36 0.00 0.00 31.31 29.66 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 -3.10 3.05 -0.43 -2.67 5.36 -1.10 0.33 117.98 119.42 2dly s PHE 19 Ca 0.06 0.16 0.04 0.00 -0.96 0.00 0.00 56.93 56.23 2dly s PHE 19 Cb 0.09 -3.46 0.45 0.00 -0.34 0.00 0.00 43.02 39.76 2dly s PHE 19 CO 0.30 -0.87 1.43 1.19 -1.46 0.00 0.00 175.22 175.81 2dly n PHE 20 N 6.44 2.96 0.00 10.12 3.01 -0.69 -4.84 117.46 134.46 2dly n PHE 20 Ca 0.01 -2.53 0.00 0.00 1.01 0.00 0.00 57.45 55.93 2dly n PHE 20 Cb 0.48 -0.63 0.00 0.00 -0.01 0.00 0.00 39.48 39.32 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 -0.73 0.95 3.49 1.37 0.00 -1.26 -3.86 105.19 105.15 2dly n GLY 21 Ca 0.49 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.89 3.32 0.28 4.61 0.00 -1.26 -0.34 121.76 127.48 2dly s ALA 22 Ca 0.00 -1.46 0.02 0.00 0.00 0.00 0.00 51.96 50.52 2dly s ALA 22 Cb 0.00 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 2dly s ALA 22 CO 0.00 -2.03 0.11 0.96 0.00 0.00 0.00 175.76 174.81 2dly s ILE 23 N 3.00 0.52 0.13 0.00 -4.36 -1.25 -4.90 121.20 114.34 2dly s ILE 23 Ca 0.21 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.62 2dly s ILE 23 Cb -0.16 -2.59 -0.04 0.00 1.25 0.00 0.00 42.46 40.92 2dly s ILE 23 CO 0.16 0.00 0.25 -0.54 0.24 0.00 0.00 174.94 175.05 2dly s LYS 24 N -3.95 3.39 0.53 0.37 1.02 -1.26 -4.75 119.74 115.09 2dly s LYS 24 Ca 0.36 -0.59 0.38 0.00 0.02 0.00 0.00 55.97 56.15 2dly s LYS 24 Cb 0.07 -2.95 1.55 0.00 -0.52 0.00 0.00 37.83 35.98 2dly s LYS 24 CO 0.15 0.54 1.75 0.07 -0.92 0.00 0.00 175.35 176.94 2dly h ARG 25 N 2.38 0.03 -0.34 1.68 0.11 -1.99 0.44 114.38 116.69 2dly h ARG 25 Ca -0.48 -0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.56 2dly h ARG 25 Cb 1.19 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 32.25 2dly h ARG 25 CO 0.70 0.02 0.06 0.00 0.10 0.00 0.00 179.97 180.85 2dly h ALA 26 N 1.35 0.46 -0.32 0.08 0.00 -1.98 0.37 119.26 119.22 2dly h ALA 26 Ca 0.65 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 55.18 2dly h ALA 26 Cb 2.52 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 20.18 2dly h ALA 26 CO -0.05 0.15 -0.51 -0.44 0.00 0.00 0.00 179.25 178.41 2dly h ASP 27 N 0.40 0.98 -0.32 0.00 3.32 -0.55 -2.56 116.42 117.69 2dly h ASP 27 Ca 0.10 -0.51 -0.14 0.00 0.02 0.00 0.00 57.03 56.51 2dly h ASP 27 Cb 0.35 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 2dly h ASP 27 CO 0.01 1.31 -0.35 0.00 -1.72 0.00 0.00 179.24 178.49 2dly h ALA 28 N 0.72 0.48 0.20 3.45 0.00 -1.15 -3.15 119.26 119.79 2dly h ALA 28 Ca 0.03 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2dly h ALA 28 Cb 1.11 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2dly h ALA 28 CO 0.12 0.55 -0.09 0.93 0.00 0.00 0.00 179.25 180.75 2dly h GLU 29 N 0.58 -0.25 -1.07 0.00 5.08 -0.27 -2.06 114.58 116.59 2dly h GLU 29 Ca 0.05 0.02 0.39 0.00 -1.00 0.00 0.00 59.36 58.82 2dly h GLU 29 Cb 0.93 0.06 -0.13 0.00 0.50 0.00 0.00 28.75 30.11 2dly h GLU 29 CO 0.08 -0.17 0.66 1.63 -1.00 0.00 0.00 179.01 180.21 2dly n LYS 30 N -2.73 -0.04 -0.10 2.33 5.02 -0.97 0.24 118.16 121.91 2dly n LYS 30 Ca -0.03 1.12 -0.12 0.00 -2.02 0.00 0.00 58.31 57.25 2dly n LYS 30 Cb 0.10 -2.13 -0.04 0.00 -0.02 0.00 0.00 35.03 32.95 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 -0.22 1.97 1.08 -1.46 -2.13 115.11 115.05 2dly h GLN 31 Ca 0.75 -0.33 -0.15 0.00 -1.45 0.00 0.00 58.65 57.47 2dly h GLN 31 Cb 2.27 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 29.69 2dly h GLN 31 CO -0.49 0.94 -0.43 -0.07 -0.95 0.00 0.00 178.83 177.83 2dly h LEU 32 N 0.46 0.75 -2.20 1.46 3.38 0.38 -2.96 115.31 116.58 2dly h LEU 32 Ca 0.06 -0.55 -0.00 0.00 0.09 0.00 0.00 57.88 57.48 2dly h LEU 32 Cb 0.77 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 2dly h LEU 32 CO 0.06 1.16 -0.01 -0.07 0.09 0.00 0.00 178.44 179.67 2dly h LEU 33 N 0.38 0.00 -8.36 1.67 -0.00 -0.54 -3.43 115.31 105.02 2dly h LEU 33 Ca 0.01 0.00 -0.54 0.00 -0.00 0.00 0.00 57.88 57.35 2dly h LEU 33 Cb 1.03 0.00 0.19 0.00 -0.00 0.00 0.00 40.66 41.88 2dly h LEU 33 CO 0.10 0.01 -1.35 0.00 -0.00 0.00 0.00 178.44 177.19 2dly n TYR 34 N -3.12 -3.61 0.23 1.13 9.36 -0.80 -4.90 117.16 115.45 2dly n TYR 34 Ca -0.01 0.23 -0.11 0.00 3.32 0.00 0.00 57.90 61.33 2dly n TYR 34 Cb 0.19 -1.47 -0.06 0.00 -0.63 0.00 0.00 39.34 37.38 2dly n TYR 34 CO 0.00 0.00 0.00 0.77 0.22 0.00 0.00 176.86 177.85 2dly h SER 35 N -0.39 -0.54 -1.18 2.98 0.02 -1.89 -3.19 113.55 109.36 2dly h SER 35 Ca -0.39 -0.03 0.38 0.00 -0.84 0.00 0.00 61.79 60.91 2dly h SER 35 Cb 1.29 0.14 -0.13 0.00 0.14 0.00 0.00 62.40 63.84 2dly h SER 35 CO 0.32 -0.12 0.74 -0.33 -1.14 0.00 0.00 176.83 176.30 2dly h GLU 36 N -1.13 0.19 -6.84 3.45 4.39 -1.96 -3.39 114.58 109.29 2dly h GLU 36 Ca -0.07 -0.01 -0.47 0.00 0.34 0.00 0.00 59.36 59.15 2dly h GLU 36 Cb 0.53 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 2dly h GLU 36 CO 0.11 0.12 0.27 -0.80 -1.16 0.00 0.00 179.01 177.55 2dly s ASN 37 N -4.74 7.13 0.28 1.42 0.01 -1.21 -5.07 114.94 112.76 2dly s ASN 37 Ca -0.08 1.66 0.04 0.00 -0.71 0.00 0.00 52.86 53.76 2dly s ASN 37 Cb 0.29 -2.52 -0.03 0.00 0.41 0.00 0.00 41.25 39.40 2dly s ASN 37 CO 0.81 -0.13 0.21 -1.10 -1.51 0.00 0.00 177.10 175.37 2dly s GLN 38 N -2.39 1.53 -0.41 -0.60 -0.21 -1.26 -4.76 119.66 111.56 2dly s GLN 38 Ca 0.52 -1.86 -0.37 0.00 0.02 0.00 0.00 55.36 53.66 2dly s GLN 38 Cb -0.15 0.24 -0.16 0.00 1.00 0.00 0.00 33.01 33.94 2dly s GLN 38 CO 0.20 -0.52 1.46 2.41 -2.12 0.00 0.00 175.29 176.72 2dly n THR 39 N -0.49 0.00 0.00 -0.19 -1.04 -1.26 -1.45 114.28 109.85 2dly n THR 39 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 2dly n THR 39 Cb 0.64 -0.41 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 4.29 2.72 3.61 3.41 0.00 0.63 -4.88 105.19 114.96 2dly n GLY 40 Ca 0.32 -0.70 -0.60 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.24 -2.44 4.61 0.00 -0.53 -3.54 120.51 118.36 2dly n ALA 41 Ca 0.00 0.32 -0.23 0.00 0.00 0.00 0.00 53.44 53.53 2dly n ALA 41 Cb 0.00 -2.17 -0.10 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 4.34 2.17 -0.28 0.00 -0.71 -1.04 -0.78 117.98 121.69 2dly s PHE 42 Ca 1.05 -0.38 -0.19 0.00 -1.04 0.00 0.00 56.93 56.37 2dly s PHE 42 Cb -1.22 -0.97 0.10 0.00 -1.21 0.00 0.00 43.02 39.73 2dly s PHE 42 CO 0.68 0.63 0.83 -0.48 -1.34 0.00 0.00 175.22 175.53 2dly s LEU 43 N -3.38 -0.71 -0.10 -1.99 0.05 0.57 -0.90 118.68 112.22 2dly s LEU 43 Ca 0.27 1.20 -0.04 0.00 0.05 0.00 0.00 54.13 55.62 2dly s LEU 43 Cb -0.05 2.13 -0.04 0.00 -2.05 0.00 0.00 46.19 46.19 2dly s LEU 43 CO 0.13 -0.19 0.05 -0.63 -0.55 0.00 0.00 176.35 175.16 2dly s ILE 44 N 1.14 4.75 0.10 1.48 1.09 0.15 -0.23 121.20 129.69 2dly s ILE 44 Ca -0.06 -0.08 0.01 0.00 -1.10 0.00 0.00 60.65 59.42 2dly s ILE 44 Cb -0.05 -3.04 -0.04 0.00 -1.06 0.00 0.00 42.46 38.28 2dly s ILE 44 CO -0.13 0.60 -0.05 0.00 -0.10 0.00 0.00 174.94 175.26 2dly s ARG 45 N -0.86 0.82 0.26 2.79 1.70 -0.60 -1.71 118.95 121.34 2dly s ARG 45 Ca 0.13 -1.33 -0.25 0.00 -0.47 0.00 0.00 55.73 53.81 2dly s ARG 45 Cb -0.12 -0.10 -0.09 0.00 -0.57 0.00 0.00 34.95 34.07 2dly s ARG 45 CO 0.03 -0.06 0.87 -1.21 -1.08 0.00 0.00 175.30 173.85 2dly s GLU 46 N -3.87 4.56 -1.07 3.89 8.01 0.54 -0.39 118.70 130.37 2dly s GLU 46 Ca 0.12 1.23 -0.22 0.00 0.01 0.00 0.00 54.97 56.11 2dly s GLU 46 Cb 0.06 -2.98 0.05 0.00 -4.31 0.00 0.00 34.13 26.95 2dly s GLU 46 CO -0.05 0.40 1.52 0.45 0.01 0.00 0.00 175.26 177.59 2dly s SER 47 N -1.47 6.51 0.29 -0.19 0.15 -1.18 -4.04 113.70 113.77 2dly s SER 47 Ca 0.45 -1.61 0.07 0.00 0.70 0.00 0.00 55.95 55.56 2dly s SER 47 Cb -0.20 -2.57 0.84 0.00 -1.71 0.00 0.00 66.02 62.38 2dly s SER 47 CO 0.25 -1.50 1.40 1.21 1.20 0.00 0.00 173.24 175.80 2dly n GLU 48 N 8.80 -0.07 0.13 5.44 2.13 -1.26 0.00 120.64 135.81 2dly n GLU 48 Ca 0.36 1.30 -0.15 0.00 0.66 0.00 0.00 57.16 59.33 2dly n GLU 48 Cb 0.50 -2.15 -0.08 0.00 0.27 0.00 0.00 31.44 29.98 2dly n GLU 48 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2dly h SER 49 N 0.00 -1.39 -3.36 4.31 0.87 -1.99 -3.37 113.55 108.63 2dly h SER 49 Ca 0.61 0.15 -0.61 0.00 -1.23 0.00 0.00 61.79 60.71 2dly h SER 49 Cb 1.39 0.51 -0.40 0.00 -0.44 0.00 0.00 62.40 63.46 2dly h SER 49 CO -0.79 -0.53 -0.74 -1.58 -0.53 0.00 0.00 176.83 172.66 2dly s GLN 50 N -5.86 1.00 1.01 2.24 0.74 0.10 -5.12 119.66 113.77 2dly s GLN 50 Ca -0.16 -1.40 -0.19 0.00 0.05 0.00 0.00 55.36 53.66 2dly s GLN 50 Cb 0.07 -2.40 0.02 0.00 1.10 0.00 0.00 33.01 31.80 2dly s GLN 50 CO 0.62 -0.99 -0.40 1.63 -0.55 0.00 0.00 175.29 175.60 2dly n LYS 51 N 4.56 -1.17 0.00 1.67 4.76 -1.13 -2.96 118.16 123.89 2dly n LYS 51 Ca 0.01 -0.34 0.00 0.00 -2.87 0.00 0.00 58.31 55.11 2dly n LYS 51 Cb 0.41 -1.38 0.00 0.00 -1.84 0.00 0.00 35.03 32.23 2dly n LYS 51 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dly n GLY 52 N 2.65 1.37 3.88 0.72 0.00 -1.26 -4.93 105.19 107.62 2dly n GLY 52 Ca 0.01 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 2dly n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dly s ASP 53 N 0.01 3.64 -0.06 1.61 2.15 -1.16 -4.99 116.67 117.88 2dly s ASP 53 Ca 0.00 0.59 -0.20 0.00 0.43 0.00 0.00 52.55 53.37 2dly s ASP 53 Cb 0.00 -0.89 0.04 0.00 -0.30 0.00 0.00 42.92 41.77 2dly s ASP 53 CO 0.00 -2.43 0.45 -0.36 -0.17 0.00 0.00 175.17 172.66 2dly s PHE 54 N -3.64 -0.39 -0.08 -5.34 0.40 -1.24 -3.11 117.98 104.57 2dly s PHE 54 Ca 0.68 0.73 0.05 0.00 -0.60 0.00 0.00 56.93 57.78 2dly s PHE 54 Cb -0.08 0.20 -0.01 0.00 0.51 0.00 0.00 43.02 43.64 2dly s PHE 54 CO 0.51 -0.42 -0.24 0.45 0.70 0.00 0.00 175.22 176.23 2dly s SER 55 N -0.95 3.15 -0.41 1.36 0.15 0.47 -1.11 113.70 116.36 2dly s SER 55 Ca -0.10 -0.52 -0.16 0.00 0.70 0.00 0.00 55.95 55.87 2dly s SER 55 Cb -0.03 -1.15 0.02 0.00 -1.71 0.00 0.00 66.02 63.15 2dly s SER 55 CO 0.05 0.20 0.39 -0.22 1.20 0.00 0.00 173.24 174.87 2dly s LEU 56 N 0.09 4.87 -0.36 3.45 2.96 0.18 -1.56 118.68 128.31 2dly s LEU 56 Ca -0.11 -0.68 -0.13 0.00 -0.22 0.00 0.00 54.13 53.00 2dly s LEU 56 Cb -0.16 -2.32 -0.00 0.00 0.50 0.00 0.00 46.19 44.21 2dly s LEU 56 CO 0.06 -0.51 0.24 -0.55 -1.32 0.00 0.00 176.35 174.27 2dly s SER 57 N 1.77 5.95 0.12 3.68 0.15 0.69 0.30 113.70 126.36 2dly s SER 57 Ca 0.10 -0.64 0.10 0.00 0.70 0.00 0.00 55.95 56.22 2dly s SER 57 Cb -0.17 -2.11 -0.04 0.00 -1.71 0.00 0.00 66.02 61.99 2dly s SER 57 CO 0.12 -0.31 -0.24 -0.69 1.20 0.00 0.00 173.24 173.33 2dly s VAL 58 N 1.67 2.46 -0.15 4.45 1.01 -0.94 -0.31 120.40 128.59 2dly s VAL 58 Ca 0.05 -1.64 -0.07 0.00 0.00 0.00 0.00 61.98 60.32 2dly s VAL 58 Cb -0.18 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 2dly s VAL 58 CO 0.09 0.11 0.09 -0.22 0.00 0.00 0.00 175.10 175.18 2dly s LEU 59 N -2.03 4.03 -0.46 3.92 2.96 0.04 -0.30 118.68 126.84 2dly s LEU 59 Ca 0.15 0.24 0.03 0.00 -0.22 0.00 0.00 54.13 54.33 2dly s LEU 59 Cb -0.10 -2.00 0.15 0.00 0.50 0.00 0.00 46.19 44.74 2dly s LEU 59 CO 0.07 0.28 0.31 -0.62 -1.32 0.00 0.00 176.35 175.07 2dly s ASP 60 N -0.25 2.95 -0.78 3.68 2.15 0.67 -0.27 116.67 124.83 2dly s ASP 60 Ca 0.09 -2.92 0.00 0.00 0.43 0.00 0.00 52.55 50.15 2dly s ASP 60 Cb -0.12 -0.82 0.00 0.00 -0.30 0.00 0.00 42.92 41.68 2dly s ASP 60 CO 0.01 -0.21 0.00 -0.62 -0.17 0.00 0.00 175.17 174.18 2dly n GLU 61 N 3.11 -0.69 0.00 4.34 1.02 -1.26 -2.79 120.64 124.36 2dly n GLU 61 Ca 0.19 0.48 0.00 0.00 -0.02 0.00 0.00 57.16 57.80 2dly n GLU 61 Cb 0.40 -4.46 0.00 0.00 -0.02 0.00 0.00 31.44 27.36 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 -1.12 0.37 3.67 0.62 0.00 -1.26 -5.02 105.19 102.44 2dly n GLY 62 Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 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 5.35 -0.71 1.61 0.11 -1.12 -4.89 120.40 118.76 2dly s VAL 63 Ca 0.00 0.22 -0.22 0.00 -2.93 0.00 0.00 61.98 59.05 2dly s VAL 63 Cb 0.00 -3.51 0.08 0.00 -1.53 0.00 0.00 36.38 31.42 2dly s VAL 63 CO 0.00 0.35 0.98 -0.69 -3.33 0.00 0.00 175.10 172.41 2dly s VAL 64 N 1.00 4.43 -0.50 2.04 1.01 -1.26 -0.23 120.40 126.88 2dly s VAL 64 Ca 0.08 -0.63 -0.19 0.00 0.00 0.00 0.00 61.98 61.24 2dly s VAL 64 Cb -0.13 -4.69 0.06 0.00 0.00 0.00 0.00 36.38 31.61 2dly s VAL 64 CO 0.04 -1.45 0.62 -0.54 0.00 0.00 0.00 175.10 173.77 2dly s LYS 65 N 3.73 3.12 0.08 2.72 1.02 0.59 -4.90 119.74 126.10 2dly s LYS 65 Ca 0.23 -0.90 -0.26 0.00 0.02 0.00 0.00 55.97 55.07 2dly s LYS 65 Cb -0.15 -4.10 -0.06 0.00 -0.52 0.00 0.00 37.83 33.00 2dly s LYS 65 CO 0.06 -1.21 0.80 -1.01 -0.92 0.00 0.00 175.35 173.07 2dly s HIS 66 N 2.60 3.78 -0.19 3.18 3.76 -1.26 -2.21 115.29 124.95 2dly s HIS 66 Ca 0.15 1.56 0.00 0.00 -0.15 0.00 0.00 55.06 56.62 2dly s HIS 66 Cb -0.19 -2.85 0.05 0.00 1.11 0.00 0.00 32.58 30.69 2dly s HIS 66 CO 0.12 0.31 -0.07 0.71 -0.85 0.00 0.00 174.74 174.96 2dly s TYR 67 N -0.27 2.15 0.36 1.40 1.51 0.15 -4.95 117.35 117.70 2dly s TYR 67 Ca 0.39 -1.44 -0.28 0.00 -1.01 0.00 0.00 57.07 54.73 2dly s TYR 67 Cb -0.21 -1.51 -0.11 0.00 -0.11 0.00 0.00 41.96 40.02 2dly s TYR 67 CO 0.25 -0.70 1.46 1.03 -1.11 0.00 0.00 175.55 176.48 2dly s ARG 68 N 1.48 4.15 -0.34 -0.62 3.00 -1.26 -0.65 118.95 124.72 2dly s ARG 68 Ca -0.01 2.51 0.02 0.00 0.00 0.00 0.00 55.73 58.25 2dly s ARG 68 Cb -0.16 -2.99 0.09 0.00 0.00 0.00 0.00 34.95 31.89 2dly s ARG 68 CO -0.08 -0.48 0.05 0.42 0.00 0.00 0.00 175.30 175.21 2dly s ILE 69 N -1.06 2.47 0.73 1.52 1.01 -0.27 -4.75 121.20 120.86 2dly s ILE 69 Ca 0.53 -2.16 -0.12 0.00 0.00 0.00 0.00 60.65 58.90 2dly s ILE 69 Cb -0.45 -2.73 0.03 0.00 0.01 0.00 0.00 42.46 39.31 2dly s ILE 69 CO 0.61 -0.52 1.11 -0.13 0.00 0.00 0.00 174.94 176.01 2dly s ARG 70 N 0.98 2.66 0.15 2.79 0.52 -1.17 -3.73 118.95 121.15 2dly s ARG 70 Ca 0.07 0.44 0.08 0.00 -0.52 0.00 0.00 55.73 55.80 2dly s ARG 70 Cb -0.20 -2.00 -0.04 0.00 0.52 0.00 0.00 34.95 33.23 2dly s ARG 70 CO -0.07 -1.17 -0.18 1.03 0.02 0.00 0.00 175.30 174.94 2dly s ARG 71 N -5.36 1.22 0.37 3.54 0.52 -1.26 -2.02 118.95 115.96 2dly s ARG 71 Ca 0.59 -1.36 0.02 0.00 -0.52 0.00 0.00 55.73 54.46 2dly s ARG 71 Cb -0.11 -1.27 0.07 0.00 0.52 0.00 0.00 34.95 34.16 2dly s ARG 71 CO 0.52 0.26 0.51 1.28 0.02 0.00 0.00 175.30 177.89 2dly n LEU 72 N 0.39 0.00 0.09 2.53 7.99 -0.60 -4.97 117.00 122.42 2dly n LEU 72 Ca -0.14 -1.25 -0.14 0.00 -0.01 0.00 0.00 56.01 54.47 2dly n LEU 72 Cb 0.57 -0.31 -0.08 0.00 -0.11 0.00 0.00 43.42 43.49 2dly n LEU 72 CO 0.28 -0.71 0.09 -0.78 -1.51 0.00 0.00 177.39 174.77 2dly h ASP 73 N -0.18 0.45 0.08 -1.43 3.58 -2.02 -3.24 116.42 113.66 2dly h ASP 73 Ca -0.17 -0.41 -0.07 0.00 0.42 0.00 0.00 57.03 56.81 2dly h ASP 73 Cb 0.68 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 2dly h ASP 73 CO 0.20 1.25 -0.22 1.05 -2.88 0.00 0.00 179.24 178.64 2dly h GLU 74 N 0.15 0.25 0.00 0.28 4.11 -2.03 -3.46 114.58 113.88 2dly h GLU 74 Ca -0.10 -0.08 0.00 0.00 0.07 0.00 0.00 59.36 59.26 2dly h GLU 74 Cb 1.73 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.96 2dly h GLU 74 CO 0.18 0.47 0.00 0.41 0.07 0.00 0.00 179.01 180.13 2dly n GLY 75 N -0.64 1.85 3.50 1.06 0.00 -1.22 -5.14 105.19 104.60 2dly n GLY 75 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2dly n GLY 75 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dly s GLY 76 N -2.00 1.58 0.04 -0.02 0.00 -1.26 -4.82 107.32 100.84 2dly s GLY 76 Ca 0.00 -1.00 -0.18 0.00 0.00 0.00 0.00 44.72 43.54 2dly s GLY 76 CO 0.00 -0.81 0.52 -1.36 0.00 0.00 0.00 173.10 171.44 2dly s PHE 77 N -0.80 3.77 -0.18 1.90 0.40 -0.94 -1.56 117.98 120.57 2dly s PHE 77 Ca 0.13 1.17 -0.09 0.00 -0.60 0.00 0.00 56.93 57.53 2dly s PHE 77 Cb -0.11 -2.44 0.06 0.00 0.51 0.00 0.00 43.02 41.05 2dly s PHE 77 CO 0.02 0.58 0.43 -0.59 0.70 0.00 0.00 175.22 176.36 2dly s PHE 78 N -0.99 -0.65 -0.15 0.36 -0.71 -0.86 0.09 117.98 115.08 2dly s PHE 78 Ca 0.27 1.36 0.17 0.00 -1.04 0.00 0.00 56.93 57.69 2dly s PHE 78 Cb -0.18 0.29 -0.03 0.00 -1.21 0.00 0.00 43.02 41.89 2dly s PHE 78 CO 0.17 -0.37 1.13 1.25 -1.34 0.00 0.00 175.22 176.06 2dly h LEU 79 N 7.24 0.00 -7.56 -1.99 5.85 -1.84 -3.10 115.31 113.91 2dly h LEU 79 Ca -0.34 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.16 2dly h LEU 79 Cb 1.18 0.00 -0.29 0.00 0.37 0.00 0.00 40.66 41.92 2dly h LEU 79 CO 0.27 0.49 -0.60 0.28 -0.34 0.00 0.00 178.44 178.54 2dly s THR 80 N -2.98 -0.02 -0.33 1.05 -1.32 -1.26 -4.88 115.64 105.90 2dly s THR 80 Ca 0.01 0.06 0.10 0.00 -1.21 0.00 0.00 61.69 60.65 2dly s THR 80 Cb 0.08 -0.18 0.10 0.00 -1.51 0.00 0.00 72.50 71.00 2dly s THR 80 CO 0.78 0.02 1.23 -1.14 -2.21 0.00 0.00 174.62 173.31 2dly n ARG 81 N 3.40 0.07 0.19 7.08 3.00 -1.26 -0.35 116.66 128.79 2dly n ARG 81 Ca -0.17 0.52 0.05 0.00 -0.00 0.00 0.00 57.85 58.25 2dly n ARG 81 Cb 0.57 -1.88 0.38 0.00 0.00 0.00 0.00 32.46 31.53 2dly n ARG 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2dly h ARG 82 N 0.00 0.00 -2.58 -0.14 3.08 -2.00 -3.44 114.38 109.30 2dly h ARG 82 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 2dly h ARG 82 Cb 0.31 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 30.14 2dly h ARG 82 CO 0.00 0.36 -0.12 0.21 -1.07 0.00 0.00 179.97 179.35 2dly s LYS 83 N -3.81 0.69 -0.02 0.04 2.47 0.52 -5.17 119.74 114.46 2dly s LYS 83 Ca -0.01 0.38 0.03 0.00 -1.56 0.00 0.00 55.97 54.80 2dly s LYS 83 Cb 0.12 0.32 -0.00 0.00 -1.46 0.00 0.00 37.83 36.81 2dly s LYS 83 CO 0.69 -0.14 -0.10 0.08 0.16 0.00 0.00 175.35 176.04 2dly s VAL 84 N -0.42 0.80 0.37 4.02 1.01 -1.26 -4.08 120.40 120.84 2dly s VAL 84 Ca -0.06 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.57 2dly s VAL 84 Cb -0.03 -0.70 0.04 0.00 0.00 0.00 0.00 36.38 35.68 2dly s VAL 84 CO 0.03 0.24 0.31 0.49 0.00 0.00 0.00 175.10 176.17 2dly n PHE 85 N 3.16 -1.07 -0.11 5.22 3.72 0.11 -4.99 117.46 123.50 2dly n PHE 85 Ca -0.17 -1.56 -0.21 0.00 -0.05 0.00 0.00 57.45 55.47 2dly n PHE 85 Cb 0.55 -0.31 -0.07 0.00 -0.94 0.00 0.00 39.48 38.71 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 -1.96 1.72 -4.25 4.37 7.64 -1.26 -2.21 113.62 117.66 2dly n SER 86 Ca 0.00 0.30 -0.14 0.00 1.01 0.00 0.00 58.87 60.04 2dly n SER 86 Cb 0.42 -0.70 -0.10 0.00 -1.01 0.00 0.00 64.21 62.82 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 -2.54 1.09 0.60 0.44 -4.23 -1.26 -3.65 115.64 106.08 2dly s THR 87 Ca -0.31 -2.04 0.29 0.00 -1.18 0.00 0.00 61.69 58.45 2dly s THR 87 Cb 0.10 -1.89 0.41 0.00 1.34 0.00 0.00 72.50 72.46 2dly s THR 87 CO 0.41 -0.71 1.63 -0.07 -0.54 0.00 0.00 174.62 175.33 2dly h LEU 88 N 2.77 0.00 0.08 4.79 3.38 -1.97 -1.67 115.31 122.68 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 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2dly h LEU 88 CO 0.64 0.00 -0.04 -1.13 0.09 0.00 0.00 178.44 178.00 2dly h ASN 89 N 0.00 -0.09 -0.04 -0.43 -0.73 -2.00 -2.63 115.58 109.67 2dly h ASN 89 Ca 0.37 0.00 0.01 0.00 1.87 0.00 0.00 56.30 58.56 2dly h ASN 89 Cb 2.07 0.02 -0.00 0.00 0.27 0.00 0.00 38.32 40.68 2dly h ASN 89 CO -0.00 -0.06 0.10 -0.33 -0.37 0.00 0.00 177.43 176.77 2dly h GLU 90 N -0.11 0.00 -0.64 6.67 5.08 -1.75 0.13 114.58 123.96 2dly h GLU 90 Ca -0.01 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 2dly h GLU 90 Cb 0.08 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 2dly h GLU 90 CO 0.02 0.00 0.21 0.35 -1.00 0.00 0.00 179.01 178.59 2dly h PHE 91 N 0.00 1.01 0.07 4.33 3.04 -1.15 -2.28 116.94 121.96 2dly h PHE 91 Ca 0.02 -0.10 -0.36 0.00 3.98 0.00 0.00 57.97 61.51 2dly h PHE 91 Cb 0.22 -0.30 -0.04 0.00 2.56 0.00 0.00 35.95 38.40 2dly h PHE 91 CO 0.00 0.82 -2.06 0.28 -2.02 0.00 0.00 178.31 175.33 2dly n VAL 92 N -4.38 1.67 0.31 1.41 0.31 -0.51 -3.55 118.33 113.59 2dly n VAL 92 Ca 0.04 -0.68 0.19 0.00 -0.01 0.00 0.00 64.34 63.88 2dly n VAL 92 Cb 0.20 -1.47 1.04 0.00 -0.91 0.00 0.00 33.84 32.70 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 0.04 0.00 0.00 4.52 -1.24 -0.83 -0.68 115.58 117.39 2dly h ASN 93 Ca -0.44 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.57 2dly h ASN 93 Cb 2.02 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.07 2dly h ASN 93 CO 0.05 0.00 -0.24 0.22 -1.29 0.00 0.00 177.43 176.17 2dly h TYR 94 N 0.00 0.00 -1.05 0.67 5.03 -1.55 -3.38 116.97 116.68 2dly h TYR 94 Ca 0.01 0.00 0.27 0.00 2.58 0.00 0.00 58.73 61.60 2dly h TYR 94 Cb 0.16 0.00 -0.10 0.00 1.55 0.00 0.00 36.73 38.34 2dly h TYR 94 CO 0.00 0.00 0.67 1.88 -1.32 0.00 0.00 178.16 179.39 2dly h TYR 95 N -0.63 0.71 -1.10 -3.82 0.05 -1.59 0.33 116.97 110.92 2dly h TYR 95 Ca 0.00 0.03 0.32 0.00 0.05 0.00 0.00 58.73 59.13 2dly h TYR 95 Cb 0.24 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 37.73 2dly h TYR 95 CO -0.10 0.04 0.79 1.79 -1.05 0.00 0.00 178.16 179.63 2dly h THR 96 N 0.40 0.45 0.00 -2.88 1.35 -1.30 0.87 112.91 111.80 2dly h THR 96 Ca 0.62 -0.00 -0.09 0.00 -0.55 0.00 0.00 66.41 66.39 2dly h THR 96 Cb 1.53 0.45 -0.01 0.00 -1.73 0.00 0.00 68.15 68.38 2dly h THR 96 CO -0.34 0.00 -0.89 0.71 -0.25 0.00 0.00 175.52 174.75 2dly h THR 97 N 0.00 0.42 -1.90 6.82 1.35 -0.53 -3.44 112.91 115.62 2dly h THR 97 Ca 0.52 -1.70 -0.01 0.00 -0.55 0.00 0.00 66.41 64.67 2dly h THR 97 Cb 2.11 2.01 -0.22 0.00 -1.73 0.00 0.00 68.15 70.32 2dly h THR 97 CO -0.01 0.24 0.21 0.28 -0.25 0.00 0.00 175.52 175.99 2dly s THR 98 N -3.07 0.00 0.30 6.82 -1.32 0.30 -5.04 115.64 113.63 2dly s THR 98 Ca 0.01 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.54 2dly s THR 98 Cb 0.08 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 70.13 2dly s THR 98 CO 0.77 0.00 1.73 0.77 -2.21 0.00 0.00 174.62 175.68 2dly h SER 99 N 4.83 0.31 -5.97 8.08 4.64 -1.85 -3.36 113.55 120.23 2dly h SER 99 Ca -0.29 -0.11 -0.41 0.00 -0.47 0.00 0.00 61.79 60.51 2dly h SER 99 Cb 1.16 -0.09 0.09 0.00 -0.31 0.00 0.00 62.40 63.25 2dly h SER 99 CO 0.07 0.63 -0.74 -0.67 -0.87 0.00 0.00 176.83 175.25 2dly n ASP 100 N -4.09 -4.39 0.00 4.97 2.03 -1.26 -1.83 116.55 111.99 2dly n ASP 100 Ca -0.01 -0.66 0.00 0.00 0.52 0.00 0.00 54.79 54.64 2dly n ASP 100 Cb 0.43 -4.61 0.00 0.00 -0.72 0.00 0.00 41.12 36.22 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 -1.70 2.96 3.59 0.27 0.00 -1.26 -5.04 105.19 104.01 2dly n GLY 101 Ca -0.08 -0.29 -0.50 0.00 0.00 0.00 0.00 46.02 45.15 2dly n GLY 101 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dly n LEU 102 N 0.00 1.66 -0.24 0.99 4.77 -0.76 -4.76 117.00 118.66 2dly n LEU 102 Ca 0.00 1.13 0.19 0.00 -0.03 0.00 0.00 56.01 57.30 2dly n LEU 102 Cb 0.00 -1.22 0.35 0.00 -2.33 0.00 0.00 43.42 40.22 2dly n LEU 102 CO 0.00 -1.17 0.70 0.00 -1.33 0.00 0.00 177.39 175.59 2dly s VAL 104 N -5.28 0.17 -0.17 0.00 0.11 -1.26 -5.13 120.40 108.83 2dly s VAL 104 Ca -0.07 -1.37 -0.19 0.00 -2.93 0.00 0.00 61.98 57.42 2dly s VAL 104 Cb 0.23 -1.24 -0.03 0.00 -1.53 0.00 0.00 36.38 33.81 2dly s VAL 104 CO 0.56 -0.76 0.52 -0.75 -3.33 0.00 0.00 175.10 171.35 2dly s LYS 105 N -3.43 4.24 -0.21 1.54 2.20 -1.26 -4.75 119.74 118.07 2dly s LYS 105 Ca 0.02 0.46 -0.35 0.00 -0.36 0.00 0.00 55.97 55.73 2dly s LYS 105 Cb 0.04 -3.52 -0.12 0.00 -1.51 0.00 0.00 37.83 32.71 2dly s LYS 105 CO -0.08 -0.06 1.96 1.28 -0.36 0.00 0.00 175.35 178.08 2dly n LEU 106 N 4.46 2.84 0.00 5.43 4.77 -1.26 -4.81 117.00 128.43 2dly n LEU 106 Ca -0.05 0.79 0.00 0.00 -0.03 0.00 0.00 56.01 56.72 2dly n LEU 106 Cb 0.51 -1.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.30 2dly n LEU 106 CO 0.43 -0.36 0.00 -0.62 -1.33 0.00 0.00 177.39 175.51 2dly n GLU 107 N 6.94 0.00 -4.09 3.23 1.02 -1.23 -4.26 120.64 122.24 2dly n GLU 107 Ca 0.29 0.15 -0.12 0.00 -0.02 0.00 0.00 57.16 57.46 2dly n GLU 107 Cb 0.25 -0.62 -0.11 0.00 -0.02 0.00 0.00 31.44 30.94 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 -0.90 0.62 0.33 3.49 -0.14 -1.26 -5.04 119.74 116.84 2dly s LYS 108 Ca 0.00 -0.92 -0.28 0.00 -1.36 0.00 0.00 55.97 53.40 2dly s LYS 108 Cb 0.00 -0.28 -0.10 0.00 -1.68 0.00 0.00 37.83 35.77 2dly s LYS 108 CO 0.00 0.03 1.22 -1.25 -0.76 0.00 0.00 175.35 174.59 2dly s PRO 109 N -2.22 4.37 1.09 -1.68 0.04 -1.26 -2.48 135.00 132.85 2dly s PRO 109 Ca -0.04 2.02 -0.17 0.00 0.04 0.00 0.00 61.00 62.85 2dly s PRO 109 Cb -0.06 -3.02 0.10 0.00 0.04 0.00 0.00 34.50 31.56 2dly s PRO 109 CO -0.01 -0.10 0.12 0.00 0.04 0.00 0.00 177.00 177.04 2dly s LEU 111 N -1.41 3.53 -0.11 0.00 1.43 -1.26 -4.64 118.68 116.22 2dly s LEU 111 Ca 0.56 -0.36 0.02 0.00 -1.03 0.00 0.00 54.13 53.32 2dly s LEU 111 Cb -0.14 -2.62 -0.01 0.00 0.03 0.00 0.00 46.19 43.44 2dly s LEU 111 CO 0.66 -0.90 -0.18 -0.54 0.23 0.00 0.00 176.35 175.63 2dly s LYS 112 N -4.47 3.16 -0.04 1.70 1.02 -1.26 -4.97 119.74 114.88 2dly s LYS 112 Ca 0.56 -0.77 -0.08 0.00 0.02 0.00 0.00 55.97 55.70 2dly s LYS 112 Cb -0.10 -2.47 -0.05 0.00 -0.52 0.00 0.00 37.83 34.70 2dly s LYS 112 CO 0.35 0.24 0.25 0.42 -0.92 0.00 0.00 175.35 175.68 2dly s ILE 113 N 0.25 5.33 -0.39 2.17 1.01 -1.26 -5.07 121.20 123.23 2dly s ILE 113 Ca -0.12 0.29 0.03 0.00 0.00 0.00 0.00 60.65 60.86 2dly s ILE 113 Cb -0.16 -3.53 0.11 0.00 0.01 0.00 0.00 42.46 38.89 2dly s ILE 113 CO 0.06 0.49 0.13 -1.58 0.00 0.00 0.00 174.94 174.04 2dly s GLN 114 N -1.39 1.47 -0.01 2.79 0.74 -1.26 -4.89 119.66 117.11 2dly s GLN 114 Ca 0.22 -1.95 0.08 0.00 0.05 0.00 0.00 55.36 53.77 2dly s GLN 114 Cb -0.13 -2.97 -0.11 0.00 1.10 0.00 0.00 33.01 30.90 2dly s GLN 114 CO 0.11 -1.01 0.25 1.33 -0.55 0.00 0.00 175.29 175.43 2dly n VAL 115 N 4.00 0.00 -4.84 1.34 0.24 -1.26 -4.99 118.33 112.82 2dly n VAL 115 Ca 0.04 -0.24 -0.33 0.00 -2.04 0.00 0.00 64.34 61.76 2dly n VAL 115 Cb 0.39 0.62 -0.14 0.00 -1.47 0.00 0.00 33.84 33.25 2dly n VAL 115 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2dly s SER 116 N -2.41 4.04 0.39 -1.34 0.01 -1.26 -5.12 113.70 108.00 2dly s SER 116 Ca -0.00 -0.24 -0.11 0.00 1.31 0.00 0.00 55.95 56.91 2dly s SER 116 Cb 0.06 -1.15 -0.07 0.00 0.21 0.00 0.00 66.02 65.07 2dly s SER 116 CO 0.34 0.28 0.75 -0.83 0.41 0.00 0.00 173.24 174.19 2dly s GLY 117 N -0.32 1.99 0.46 3.44 0.00 -1.26 -4.98 107.32 106.65 2dly s GLY 117 Ca 0.03 -0.19 0.25 0.00 0.00 0.00 0.00 44.72 44.81 2dly s GLY 117 CO 0.02 0.00 1.88 -0.56 0.00 0.00 0.00 173.10 174.45 2dly h PRO 118 N 1.41 0.00 -5.25 2.90 0.13 -2.04 -3.42 132.00 125.73 2dly h PRO 118 Ca -0.47 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.00 2dly h PRO 118 Cb 1.19 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.06 2dly h PRO 118 CO 0.64 0.21 -0.74 0.45 -0.23 0.00 0.00 178.00 178.33 2dly s SER 119 N -6.19 4.20 -0.25 1.44 0.15 -1.26 -5.10 113.70 106.69 2dly s SER 119 Ca -0.00 -0.30 -0.13 0.00 0.70 0.00 0.00 55.95 56.22 2dly s SER 119 Cb 0.11 -1.66 -0.04 0.00 -1.71 0.00 0.00 66.02 62.71 2dly s SER 119 CO 0.63 0.13 0.27 -0.44 1.20 0.00 0.00 173.24 175.02 2dly s SER 120 N 0.56 6.18 0.00 5.45 0.01 -1.26 -5.20 113.70 119.44 2dly s SER 120 Ca -0.06 0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.39 2dly s SER 120 Cb -0.15 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 63.92 2dly s SER 120 CO 0.03 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.24