#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 4.97 -3.62 1.61 7.64 -1.26 -4.98 113.62 117.98 2dly n SER 2 Ca 0.00 -3.75 -0.03 0.00 1.01 0.00 0.00 58.87 56.10 2dly n SER 2 Cb 0.00 -0.38 -0.05 0.00 -1.01 0.00 0.00 64.21 62.77 2dly n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dly s SER 3 N -3.53 -0.96 0.00 6.43 0.15 -1.26 -5.14 113.70 109.39 2dly s SER 3 Ca 0.51 1.41 0.00 0.00 0.70 0.00 0.00 55.95 58.57 2dly s SER 3 Cb 0.41 1.81 0.00 0.00 -1.71 0.00 0.00 66.02 66.53 2dly s SER 3 CO -0.01 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.83 2dly n GLY 4 N 4.83 -2.56 3.32 9.45 0.00 -1.26 -5.08 105.19 113.89 2dly n GLY 4 Ca -0.15 -1.25 -0.17 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.25 2.14 -0.30 1.61 0.01 -1.26 -5.10 113.70 108.55 2dly s SER 5 Ca 0.00 -1.09 -0.12 0.00 1.31 0.00 0.00 55.95 56.05 2dly s SER 5 Cb 0.00 -0.06 0.16 0.00 0.21 0.00 0.00 66.02 66.33 2dly s SER 5 CO 0.00 -0.33 0.86 -0.55 0.41 0.00 0.00 173.24 173.63 2dly s SER 6 N -3.28 -0.81 -0.75 2.44 0.15 -1.26 -5.10 113.70 105.10 2dly s SER 6 Ca 0.23 0.92 -0.33 0.00 0.70 0.00 0.00 55.95 57.47 2dly s SER 6 Cb 0.03 1.84 -0.18 0.00 -1.71 0.00 0.00 66.02 66.00 2dly s SER 6 CO 0.06 -0.15 2.50 0.61 1.20 0.00 0.00 173.24 177.45 2dly n GLY 7 N 5.22 -0.20 3.82 9.45 0.00 -1.26 -4.81 105.19 117.41 2dly n GLY 7 Ca -0.08 1.04 -0.05 0.00 0.00 0.00 0.00 46.02 46.93 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 8.84 -1.37 -1.56 4.61 0.00 -1.26 -4.97 121.76 126.05 2dly s ALA 8 Ca 1.24 -0.26 -0.12 0.00 0.00 0.00 0.00 51.96 52.82 2dly s ALA 8 Cb -1.07 0.71 0.09 0.00 0.00 0.00 0.00 23.12 22.86 2dly s ALA 8 CO 0.48 -1.04 0.76 -1.91 0.00 0.00 0.00 175.76 174.06 2dly n GLU 9 N -0.54 -4.04 -3.22 0.00 2.13 -1.26 -1.23 120.64 112.48 2dly n GLU 9 Ca -0.05 0.46 -0.23 0.00 0.66 0.00 0.00 57.16 58.00 2dly n GLU 9 Cb 0.60 -5.10 -0.04 0.00 0.27 0.00 0.00 31.44 27.16 2dly n GLU 9 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2dly n ASP 10 N -2.81 -1.13 -1.56 4.31 8.00 -1.26 -4.71 116.55 117.39 2dly n ASP 10 Ca -0.04 -0.60 -0.09 0.00 0.71 0.00 0.00 54.79 54.77 2dly n ASP 10 Cb 0.56 -1.01 0.22 0.00 -0.02 0.00 0.00 41.12 40.87 2dly n ASP 10 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2dly n ARG 11 N -2.67 2.39 -0.01 -1.24 1.74 -0.37 -4.42 116.66 112.08 2dly n ARG 11 Ca 0.06 -3.08 -0.02 0.00 -0.77 0.00 0.00 57.85 54.05 2dly n ARG 11 Cb 0.31 -1.99 -0.12 0.00 -1.02 0.00 0.00 32.46 29.65 2dly n ARG 11 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2dly n SER 12 N -0.90 0.54 0.12 0.55 7.64 -1.26 -4.12 113.62 116.19 2dly n SER 12 Ca 0.41 0.24 0.04 0.00 1.01 0.00 0.00 58.87 60.56 2dly n SER 12 Cb 1.26 0.58 0.44 0.00 -1.01 0.00 0.00 64.21 65.48 2dly n SER 12 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2dly h LEU 13 N 0.00 0.22 -1.69 -3.43 3.38 -1.98 -1.95 115.31 109.87 2dly h LEU 13 Ca -0.25 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2dly h LEU 13 Cb 1.71 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.40 2dly h LEU 13 CO 0.04 0.31 0.34 0.06 0.09 0.00 0.00 178.44 179.28 2dly h GLN 14 N 0.24 0.00 0.00 1.13 -0.00 -1.88 0.49 115.11 115.08 2dly h GLN 14 Ca 0.05 0.00 -0.27 0.00 -0.00 0.00 0.00 58.65 58.44 2dly h GLN 14 Cb 0.24 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 27.68 2dly h GLN 14 CO 0.01 0.00 -1.49 0.00 -0.00 0.00 0.00 178.83 177.35 2dly h ALA 15 N 1.28 0.63 -2.39 0.06 0.00 -1.62 -3.47 119.26 113.76 2dly h ALA 15 Ca 0.00 -1.29 -0.57 0.00 0.00 0.00 0.00 54.91 53.05 2dly h ALA 15 Cb 0.68 0.29 0.07 0.00 0.00 0.00 0.00 17.79 18.83 2dly h ALA 15 CO 0.00 1.47 0.73 0.39 0.00 0.00 0.00 179.25 181.84 2dly n GLU 16 N -3.15 2.20 -0.10 0.00 -0.58 0.17 -4.91 120.64 114.27 2dly n GLU 16 Ca -0.12 0.79 -0.13 0.00 -0.42 0.00 0.00 57.16 57.28 2dly n GLU 16 Cb 1.02 -2.51 -0.03 0.00 -0.57 0.00 0.00 31.44 29.35 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 4.97 0.80 0.00 3.49 0.13 -1.90 -2.95 132.00 136.54 2dly h PRO 17 Ca -0.45 -0.42 0.00 0.00 -0.87 0.00 0.00 66.00 64.26 2dly h PRO 17 Cb 1.26 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2dly h PRO 17 CO 0.81 1.05 0.00 0.11 -0.23 0.00 0.00 178.00 179.75 2dly h TRP 18 N 0.57 0.00 -3.37 1.56 5.08 -1.84 -3.42 115.95 114.53 2dly h TRP 18 Ca 0.05 0.00 -0.60 0.00 1.08 0.00 0.00 58.89 59.42 2dly h TRP 18 Cb 0.91 0.00 -0.10 0.00 -3.00 0.00 0.00 29.16 26.97 2dly h TRP 18 CO 0.07 0.00 0.36 0.12 -1.28 0.00 0.00 178.44 177.71 2dly s PHE 19 N -3.64 3.28 -0.27 0.12 5.36 -1.12 -0.70 117.98 121.03 2dly s PHE 19 Ca 0.01 0.98 0.09 0.00 -0.96 0.00 0.00 56.93 57.06 2dly s PHE 19 Cb 0.09 -3.01 0.45 0.00 -0.34 0.00 0.00 43.02 40.22 2dly s PHE 19 CO 0.50 -0.40 1.19 1.19 -1.46 0.00 0.00 175.22 176.24 2dly n PHE 20 N 5.94 2.00 -0.70 10.12 3.01 -1.02 -4.81 117.46 132.00 2dly n PHE 20 Ca 0.03 -2.02 0.00 0.00 1.01 0.00 0.00 57.45 56.47 2dly n PHE 20 Cb 0.48 -0.31 0.00 0.00 -0.01 0.00 0.00 39.48 39.64 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 -0.78 2.06 3.38 1.37 0.00 -1.26 -3.90 105.19 106.06 2dly n GLY 21 Ca 0.36 -0.19 -0.45 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.22 3.57 0.23 4.61 0.00 -1.26 -0.29 121.76 127.39 2dly s ALA 22 Ca 0.00 -2.15 0.03 0.00 0.00 0.00 0.00 51.96 49.84 2dly s ALA 22 Cb 0.00 -3.09 -0.05 0.00 0.00 0.00 0.00 23.12 19.98 2dly s ALA 22 CO 0.00 -1.75 0.01 0.96 0.00 0.00 0.00 175.76 174.97 2dly s ILE 23 N 1.64 1.00 0.41 0.00 -4.36 -1.25 -4.93 121.20 113.71 2dly s ILE 23 Ca 0.04 -2.03 -0.00 0.00 -0.26 0.00 0.00 60.65 58.40 2dly s ILE 23 Cb -0.25 -2.37 -0.02 0.00 1.25 0.00 0.00 42.46 41.07 2dly s ILE 23 CO 0.06 -0.30 0.64 -0.54 0.24 0.00 0.00 174.94 175.05 2dly s LYS 24 N -3.88 3.30 0.55 0.37 1.02 -1.26 -4.64 119.74 115.20 2dly s LYS 24 Ca 0.29 -0.32 0.27 0.00 0.02 0.00 0.00 55.97 56.24 2dly s LYS 24 Cb 0.06 -2.57 1.45 0.00 -0.52 0.00 0.00 37.83 36.24 2dly s LYS 24 CO 0.09 -0.09 1.97 0.07 -0.92 0.00 0.00 175.35 176.47 2dly h ARG 25 N 0.51 0.00 -0.30 1.68 -0.00 -1.99 -0.19 114.38 114.08 2dly h ARG 25 Ca -0.48 0.00 -0.05 0.00 -0.00 0.00 0.00 59.98 59.45 2dly h ARG 25 Cb 1.23 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.19 2dly h ARG 25 CO 0.60 0.00 -0.01 0.00 -0.00 0.00 0.00 179.97 180.56 2dly h ALA 26 N 1.66 0.41 -0.26 0.08 0.00 -1.98 0.42 119.26 119.59 2dly h ALA 26 Ca 0.26 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 2dly h ALA 26 Cb 1.13 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2dly h ALA 26 CO -0.00 0.17 -0.49 0.22 0.00 0.00 0.00 179.25 179.14 2dly h ASP 27 N 0.33 0.77 -0.11 0.00 3.58 -1.46 -1.89 116.42 117.64 2dly h ASP 27 Ca 0.08 -0.39 -0.11 0.00 0.42 0.00 0.00 57.03 57.04 2dly h ASP 27 Cb 0.45 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.29 2dly h ASP 27 CO 0.02 1.13 -0.37 0.00 -2.88 0.00 0.00 179.24 177.13 2dly h ALA 28 N 0.90 0.19 0.58 -0.78 0.00 -1.17 -2.72 119.26 116.25 2dly h ALA 28 Ca 0.03 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 2dly h ALA 28 Cb 1.05 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.83 2dly h ALA 28 CO 0.10 0.28 -0.28 0.93 0.00 0.00 0.00 179.25 180.28 2dly h GLU 29 N 0.01 -0.74 -0.95 0.00 5.08 -0.18 -1.26 114.58 116.54 2dly h GLU 29 Ca -0.02 0.05 0.17 0.00 -1.00 0.00 0.00 59.36 58.57 2dly h GLU 29 Cb 1.00 0.17 -0.08 0.00 0.50 0.00 0.00 28.75 30.34 2dly h GLU 29 CO 0.08 -0.47 0.60 1.57 -1.00 0.00 0.00 179.01 179.79 2dly h LYS 30 N -0.84 0.66 -0.24 2.33 2.10 -1.45 0.30 116.57 119.44 2dly h LYS 30 Ca -0.08 -0.04 -0.11 0.00 -2.00 0.00 0.00 60.65 58.42 2dly h LYS 30 Cb 0.62 -0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 31.79 2dly h LYS 30 CO 0.13 0.44 -0.32 1.96 -2.00 0.00 0.00 179.45 179.66 2dly h GLN 31 N 0.68 0.49 0.09 0.07 1.08 -1.21 -2.59 115.11 113.73 2dly h GLN 31 Ca 0.50 -0.21 -0.00 0.00 -1.45 0.00 0.00 58.65 57.49 2dly h GLN 31 Cb 0.87 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.28 2dly h GLN 31 CO -0.26 0.76 -0.04 -0.07 -0.95 0.00 0.00 178.83 178.26 2dly h LEU 32 N 0.42 -0.11 -2.01 1.46 3.38 0.43 -3.22 115.31 115.67 2dly h LEU 32 Ca 0.05 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2dly h LEU 32 Cb 0.77 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2dly h LEU 32 CO 0.06 0.54 0.30 -0.07 0.09 0.00 0.00 178.44 179.37 2dly h LEU 33 N -0.93 0.00 -7.13 1.67 3.38 -0.60 -3.43 115.31 108.27 2dly h LEU 33 Ca -0.01 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.46 2dly h LEU 33 Cb 0.52 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.39 2dly h LEU 33 CO 0.02 0.00 -0.75 0.00 0.09 0.00 0.00 178.44 177.80 2dly n TYR 34 N -2.85 -1.67 0.19 1.13 9.36 -0.97 -4.85 117.16 117.50 2dly n TYR 34 Ca -0.02 0.50 -0.08 0.00 3.32 0.00 0.00 57.90 61.62 2dly n TYR 34 Cb 0.35 -1.41 -0.04 0.00 -0.63 0.00 0.00 39.34 37.62 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 0.26 -0.42 -1.61 2.98 0.02 -1.91 -2.70 113.55 110.17 2dly h SER 35 Ca -0.29 0.01 0.47 0.00 -0.84 0.00 0.00 61.79 61.14 2dly h SER 35 Cb 1.15 0.11 -0.06 0.00 0.14 0.00 0.00 62.40 63.73 2dly h SER 35 CO 0.37 -0.28 1.34 -0.62 -1.14 0.00 0.00 176.83 176.50 2dly n GLU 36 N -3.44 0.01 -2.98 3.45 -0.58 -1.26 -4.31 120.64 111.52 2dly n GLU 36 Ca -0.06 1.05 -0.29 0.00 -0.42 0.00 0.00 57.16 57.44 2dly n GLU 36 Cb 0.20 -2.50 -0.02 0.00 -0.57 0.00 0.00 31.44 28.54 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 -3.70 6.43 0.33 1.62 0.01 -1.02 -5.09 114.94 113.53 2dly s ASN 37 Ca -0.04 0.93 -0.08 0.00 -0.71 0.00 0.00 52.86 52.96 2dly s ASN 37 Cb 0.22 -2.24 0.01 0.00 0.41 0.00 0.00 41.25 39.65 2dly s ASN 37 CO 0.72 -0.37 0.56 0.00 -1.51 0.00 0.00 177.10 176.50 2dly s GLN 38 N -3.96 1.92 -0.42 -0.60 -2.07 -1.26 -4.80 119.66 108.47 2dly s GLN 38 Ca 0.48 -1.56 -0.38 0.00 -1.82 0.00 0.00 55.36 52.07 2dly s GLN 38 Cb -0.10 0.50 -0.16 0.00 -1.09 0.00 0.00 33.01 32.15 2dly s GLN 38 CO 0.34 -0.83 1.51 2.41 -1.32 0.00 0.00 175.29 177.41 2dly n THR 39 N -0.52 0.00 0.00 3.63 -1.04 -1.26 -1.24 114.28 113.85 2dly n THR 39 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 2dly n THR 39 Cb 0.61 -0.42 0.00 0.00 -1.82 0.00 0.00 70.33 68.70 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 4.50 1.69 3.45 3.41 0.00 -0.10 -4.86 105.19 113.28 2dly n GLY 40 Ca 0.34 -0.38 -0.55 0.00 0.00 0.00 0.00 46.02 45.43 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 0.54 -2.54 4.61 0.00 -0.37 -3.53 120.51 119.22 2dly n ALA 41 Ca 0.00 0.11 -0.24 0.00 0.00 0.00 0.00 53.44 53.31 2dly n ALA 41 Cb 0.00 -2.34 -0.09 0.00 0.00 0.00 0.00 19.45 17.02 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 6.10 2.45 -0.29 0.00 -0.71 -1.06 -0.60 117.98 123.87 2dly s PHE 42 Ca 1.10 -0.34 -0.16 0.00 -1.04 0.00 0.00 56.93 56.49 2dly s PHE 42 Cb -1.09 -1.17 0.15 0.00 -1.21 0.00 0.00 43.02 39.70 2dly s PHE 42 CO 0.58 0.64 1.01 -0.48 -1.34 0.00 0.00 175.22 175.62 2dly s LEU 43 N -3.60 -0.47 -0.11 -1.99 0.05 0.16 -0.69 118.68 112.03 2dly s LEU 43 Ca 0.31 0.74 -0.08 0.00 0.05 0.00 0.00 54.13 55.15 2dly s LEU 43 Cb -0.04 1.67 -0.04 0.00 -2.05 0.00 0.00 46.19 45.73 2dly s LEU 43 CO 0.17 -0.11 0.17 -0.63 -0.55 0.00 0.00 176.35 175.39 2dly s ILE 44 N 1.42 5.46 0.07 1.48 1.09 0.13 -0.37 121.20 130.47 2dly s ILE 44 Ca -0.08 0.27 0.00 0.00 -1.10 0.00 0.00 60.65 59.74 2dly s ILE 44 Cb -0.04 -3.43 -0.04 0.00 -1.06 0.00 0.00 42.46 37.89 2dly s ILE 44 CO -0.15 0.60 -0.05 0.00 -0.10 0.00 0.00 174.94 175.25 2dly s ARG 45 N -0.95 0.67 0.16 2.79 1.70 -0.05 -2.43 118.95 120.84 2dly s ARG 45 Ca 0.15 -1.19 -0.30 0.00 -0.47 0.00 0.00 55.73 53.93 2dly s ARG 45 Cb -0.12 -0.00 -0.08 0.00 -0.57 0.00 0.00 34.95 34.18 2dly s ARG 45 CO 0.05 -0.06 1.20 -1.21 -1.08 0.00 0.00 175.30 174.20 2dly s GLU 46 N -3.52 4.48 -0.39 3.89 2.02 0.60 0.74 118.70 126.51 2dly s GLU 46 Ca 0.06 1.86 -0.27 0.00 0.02 0.00 0.00 54.97 56.64 2dly s GLU 46 Cb 0.04 -3.26 -0.06 0.00 0.10 0.00 0.00 34.13 30.95 2dly s GLU 46 CO -0.06 -0.13 2.29 -1.12 0.02 0.00 0.00 175.26 176.26 2dly s SER 47 N 0.32 4.90 0.80 -0.19 0.01 -1.11 -4.28 113.70 114.16 2dly s SER 47 Ca 0.54 1.35 -0.16 0.00 1.31 0.00 0.00 55.95 58.99 2dly s SER 47 Cb -0.32 -2.51 -0.14 0.00 0.21 0.00 0.00 66.02 63.26 2dly s SER 47 CO 0.35 -2.48 -0.56 -1.84 0.41 0.00 0.00 173.24 169.12 2dly n GLU 48 N 8.91 0.00 -3.70 12.44 0.28 -1.26 -1.30 120.64 136.01 2dly n GLU 48 Ca 0.33 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 57.05 2dly n GLU 48 Cb 0.51 -0.95 -0.03 0.00 1.43 0.00 0.00 31.44 32.40 2dly n GLU 48 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 2dly n SER 49 N 3.03 -2.86 -3.64 -1.84 3.41 -1.26 -4.88 113.62 105.57 2dly n SER 49 Ca 0.01 -0.60 -0.02 0.00 -0.26 0.00 0.00 58.87 58.00 2dly n SER 49 Cb 0.51 -2.40 -0.07 0.00 -0.26 0.00 0.00 64.21 61.99 2dly n SER 49 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2dly s GLN 50 N -6.35 0.33 -0.20 4.33 0.74 -0.42 -5.15 119.66 112.94 2dly s GLN 50 Ca 0.52 0.54 -0.05 0.00 0.05 0.00 0.00 55.36 56.43 2dly s GLN 50 Cb -0.29 0.08 -0.02 0.00 1.10 0.00 0.00 33.01 33.88 2dly s GLN 50 CO 0.64 -0.07 -0.01 0.21 -0.55 0.00 0.00 175.29 175.52 2dly s LYS 51 N 1.16 3.60 0.00 1.67 2.47 -1.26 -4.20 119.74 123.18 2dly s LYS 51 Ca -0.07 -0.53 0.00 0.00 -1.56 0.00 0.00 55.97 53.81 2dly s LYS 51 Cb -0.04 -3.05 0.00 0.00 -1.46 0.00 0.00 37.83 33.29 2dly s LYS 51 CO -0.13 0.03 0.00 0.41 0.16 0.00 0.00 175.35 175.81 2dly n GLY 52 N 4.19 3.32 3.89 5.54 0.00 -1.26 -5.09 105.19 115.78 2dly n GLY 52 Ca -0.17 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.49 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 0.26 1.61 1.11 -1.26 -5.00 116.67 117.60 2dly s ASP 53 Ca 0.00 0.74 -0.05 0.00 0.18 0.00 0.00 52.55 53.42 2dly s ASP 53 Cb 0.00 -1.19 -0.02 0.00 1.07 0.00 0.00 42.92 42.79 2dly s ASP 53 CO 0.00 -2.09 0.34 -0.36 1.18 0.00 0.00 175.17 174.24 2dly s PHE 54 N -3.58 0.89 -0.09 4.23 0.08 -1.24 -2.74 117.98 115.53 2dly s PHE 54 Ca 0.64 -1.14 -0.04 0.00 0.12 0.00 0.00 56.93 56.50 2dly s PHE 54 Cb -0.11 -0.20 0.05 0.00 -0.57 0.00 0.00 43.02 42.19 2dly s PHE 54 CO 0.50 -0.89 0.19 -1.54 -0.10 0.00 0.00 175.22 173.38 2dly s SER 55 N -3.14 0.19 -0.31 1.36 1.04 0.23 -2.12 113.70 110.95 2dly s SER 55 Ca 0.31 0.41 -0.18 0.00 0.48 0.00 0.00 55.95 56.98 2dly s SER 55 Cb 0.02 0.36 -0.02 0.00 0.10 0.00 0.00 66.02 66.48 2dly s SER 55 CO 0.14 -0.20 0.50 -0.22 0.98 0.00 0.00 173.24 174.45 2dly s LEU 56 N 1.74 4.19 -0.30 2.42 2.96 -0.10 -0.87 118.68 128.72 2dly s LEU 56 Ca -0.04 0.24 -0.06 0.00 -0.22 0.00 0.00 54.13 54.05 2dly s LEU 56 Cb -0.12 -2.61 0.02 0.00 0.50 0.00 0.00 46.19 43.98 2dly s LEU 56 CO -0.07 -0.37 0.06 -0.44 -1.32 0.00 0.00 176.35 174.21 2dly s SER 57 N 1.66 5.04 0.18 3.68 0.01 0.50 -0.76 113.70 124.01 2dly s SER 57 Ca 0.20 -0.83 0.10 0.00 1.31 0.00 0.00 55.95 56.72 2dly s SER 57 Cb -0.15 -1.84 -0.04 0.00 0.21 0.00 0.00 66.02 64.19 2dly s SER 57 CO 0.11 -0.21 -0.15 -0.69 0.41 0.00 0.00 173.24 172.72 2dly s VAL 58 N 1.45 2.90 -0.18 3.43 1.01 -1.14 -0.67 120.40 127.20 2dly s VAL 58 Ca 0.01 -1.77 -0.09 0.00 0.00 0.00 0.00 61.98 60.13 2dly s VAL 58 Cb -0.18 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 2dly s VAL 58 CO 0.01 -0.10 0.14 -0.22 0.00 0.00 0.00 175.10 174.93 2dly s LEU 59 N -2.73 4.26 -0.44 3.92 2.96 0.23 -1.35 118.68 125.53 2dly s LEU 59 Ca 0.23 0.30 0.03 0.00 -0.22 0.00 0.00 54.13 54.47 2dly s LEU 59 Cb -0.09 -2.09 0.15 0.00 0.50 0.00 0.00 46.19 44.67 2dly s LEU 59 CO 0.13 0.24 0.31 -0.62 -1.32 0.00 0.00 176.35 175.09 2dly s ASP 60 N -0.02 2.74 -0.81 3.68 2.15 0.25 -0.92 116.67 123.74 2dly s ASP 60 Ca 0.10 -2.85 -0.05 0.00 0.43 0.00 0.00 52.55 50.18 2dly s ASP 60 Cb -0.11 -0.72 0.01 0.00 -0.30 0.00 0.00 42.92 41.80 2dly s ASP 60 CO -0.00 -0.22 0.70 -0.62 -0.17 0.00 0.00 175.17 174.86 2dly n GLU 61 N 3.18 -4.71 0.00 4.34 1.02 -1.26 -2.62 120.64 120.59 2dly n GLU 61 Ca 0.19 0.50 0.00 0.00 -0.02 0.00 0.00 57.16 57.83 2dly n GLU 61 Cb 0.41 -4.54 0.00 0.00 -0.02 0.00 0.00 31.44 27.29 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 -1.37 2.16 3.91 0.62 0.00 -1.26 -5.04 105.19 104.22 2dly n GLY 62 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.30 4.95 -0.27 1.61 0.11 -1.08 -4.82 120.40 118.59 2dly s VAL 63 Ca 0.00 0.07 0.02 0.00 -2.93 0.00 0.00 61.98 59.14 2dly s VAL 63 Cb 0.00 -3.86 0.07 0.00 -1.53 0.00 0.00 36.38 31.06 2dly s VAL 63 CO 0.00 -0.79 -0.05 -0.69 -3.33 0.00 0.00 175.10 170.23 2dly s VAL 64 N -2.66 1.97 -0.49 2.04 1.01 -1.26 -0.58 120.40 120.42 2dly s VAL 64 Ca 0.46 -1.66 -0.22 0.00 0.00 0.00 0.00 61.98 60.56 2dly s VAL 64 Cb -0.10 -2.21 0.04 0.00 0.00 0.00 0.00 36.38 34.11 2dly s VAL 64 CO 0.43 -0.19 0.75 -0.54 0.00 0.00 0.00 175.10 175.54 2dly s LYS 65 N 1.16 3.28 -0.38 2.72 3.01 -0.46 -4.92 119.74 124.15 2dly s LYS 65 Ca -0.03 -0.43 -0.26 0.00 -1.01 0.00 0.00 55.97 54.23 2dly s LYS 65 Cb -0.19 -4.02 0.02 0.00 -1.01 0.00 0.00 37.83 32.63 2dly s LYS 65 CO -0.07 -1.22 0.96 -1.01 0.51 0.00 0.00 175.35 174.52 2dly s HIS 66 N 3.17 3.05 -0.28 3.18 3.76 -1.26 -2.91 115.29 124.00 2dly s HIS 66 Ca 0.24 0.78 -0.05 0.00 -0.15 0.00 0.00 55.06 55.88 2dly s HIS 66 Cb -0.15 -3.74 0.02 0.00 1.11 0.00 0.00 32.58 29.82 2dly s HIS 66 CO 0.18 -0.87 0.03 0.71 -0.85 0.00 0.00 174.74 173.94 2dly s TYR 67 N 3.59 3.13 0.20 1.40 2.02 0.06 -4.97 117.35 122.77 2dly s TYR 67 Ca 0.40 -1.21 -0.31 0.00 -0.37 0.00 0.00 57.07 55.58 2dly s TYR 67 Cb -0.11 -2.18 -0.10 0.00 -0.40 0.00 0.00 41.96 39.16 2dly s TYR 67 CO 0.20 -0.64 1.51 1.03 -1.57 0.00 0.00 175.55 176.08 2dly s ARG 68 N 1.43 4.24 -0.59 -0.62 1.81 -1.26 -0.92 118.95 123.04 2dly s ARG 68 Ca 0.01 2.33 -0.10 0.00 -1.72 0.00 0.00 55.73 56.25 2dly s ARG 68 Cb -0.17 -3.13 0.15 0.00 -0.45 0.00 0.00 34.95 31.35 2dly s ARG 68 CO 0.00 -0.52 0.48 0.42 -0.68 0.00 0.00 175.30 175.00 2dly s ILE 69 N 0.61 4.60 0.53 1.52 1.01 -0.90 -4.71 121.20 123.86 2dly s ILE 69 Ca 0.65 -2.09 -0.16 0.00 0.00 0.00 0.00 60.65 59.05 2dly s ILE 69 Cb -0.43 -3.96 -0.07 0.00 0.01 0.00 0.00 42.46 38.01 2dly s ILE 69 CO 0.37 -0.86 1.00 -0.13 0.00 0.00 0.00 174.94 175.31 2dly s ARG 70 N 0.89 3.83 0.02 2.79 3.00 -1.01 -3.70 118.95 124.77 2dly s ARG 70 Ca 0.10 0.97 0.08 0.00 0.00 0.00 0.00 55.73 56.88 2dly s ARG 70 Cb -0.22 -2.12 -0.02 0.00 0.00 0.00 0.00 34.95 32.59 2dly s ARG 70 CO -0.02 -0.37 -0.25 1.03 0.00 0.00 0.00 175.30 175.69 2dly s ARG 71 N -4.16 1.82 0.42 3.54 0.52 -1.26 -0.88 118.95 118.94 2dly s ARG 71 Ca 0.59 -1.00 -0.01 0.00 -0.52 0.00 0.00 55.73 54.80 2dly s ARG 71 Cb -0.11 -1.89 0.09 0.00 0.52 0.00 0.00 34.95 33.56 2dly s ARG 71 CO 0.34 0.50 0.58 1.28 0.02 0.00 0.00 175.30 178.02 2dly n LEU 72 N 2.05 0.00 -0.00 2.53 7.99 -0.48 -5.01 117.00 124.08 2dly n LEU 72 Ca -0.16 -1.18 0.06 0.00 -0.01 0.00 0.00 56.01 54.72 2dly n LEU 72 Cb 0.52 -0.38 -0.08 0.00 -0.11 0.00 0.00 43.42 43.37 2dly n LEU 72 CO 0.23 -0.80 -0.30 -0.67 -1.51 0.00 0.00 177.39 174.35 2dly n ASP 73 N -2.98 1.24 -0.06 -1.43 2.03 -1.26 -4.61 116.55 109.48 2dly n ASP 73 Ca 0.09 -0.45 -0.07 0.00 0.52 0.00 0.00 54.79 54.89 2dly n ASP 73 Cb 0.34 1.25 -0.07 0.00 -0.72 0.00 0.00 41.12 41.91 2dly n ASP 73 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2dly n GLU 74 N -1.57 1.48 0.00 -0.67 0.28 -1.26 -5.02 120.64 113.88 2dly n GLU 74 Ca 0.00 0.03 0.00 0.00 -0.16 0.00 0.00 57.16 57.03 2dly n GLU 74 Cb 0.25 -1.26 0.00 0.00 1.43 0.00 0.00 31.44 31.86 2dly n GLU 74 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2dly n GLY 75 N 2.59 0.43 0.00 -1.84 0.00 -1.26 -5.15 105.19 99.96 2dly n GLY 75 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 1.11 3.55 -0.02 0.00 -1.13 -4.84 105.19 108.86 2dly n GLY 76 Ca 0.00 -0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 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 0.86 2.63 -0.26 1.61 0.40 -0.45 -1.39 117.98 121.38 2dly s PHE 77 Ca 0.00 -0.22 -0.17 0.00 -0.60 0.00 0.00 56.93 55.94 2dly s PHE 77 Cb 0.00 -1.32 0.07 0.00 0.51 0.00 0.00 43.02 42.28 2dly s PHE 77 CO 0.00 0.47 0.66 -0.59 0.70 0.00 0.00 175.22 176.46 2dly s PHE 78 N -1.49 -0.95 -0.08 0.36 -0.71 -0.06 -0.38 117.98 114.66 2dly s PHE 78 Ca 0.23 1.99 0.15 0.00 -1.04 0.00 0.00 56.93 58.25 2dly s PHE 78 Cb -0.10 0.52 -0.19 0.00 -1.21 0.00 0.00 43.02 42.04 2dly s PHE 78 CO 0.14 -0.47 0.72 -0.11 -1.34 0.00 0.00 175.22 174.16 2dly n LEU 79 N 3.94 0.84 -3.89 -1.99 7.94 -1.26 -2.41 117.00 120.18 2dly n LEU 79 Ca -0.19 0.39 -0.10 0.00 -1.11 0.00 0.00 56.01 55.00 2dly n LEU 79 Cb 0.58 0.13 -0.09 0.00 0.53 0.00 0.00 43.42 44.57 2dly n LEU 79 CO 0.00 0.27 -0.17 0.28 -1.11 0.00 0.00 177.39 176.66 2dly s THR 80 N -2.75 0.11 -1.14 1.96 -1.32 -1.25 -4.88 115.64 106.36 2dly s THR 80 Ca -0.04 -0.90 0.07 0.00 -1.21 0.00 0.00 61.69 59.60 2dly s THR 80 Cb 0.08 -0.72 0.07 0.00 -1.51 0.00 0.00 72.50 70.42 2dly s THR 80 CO 0.82 -0.50 1.17 0.54 -2.21 0.00 0.00 174.62 174.44 2dly n ARG 81 N 1.00 0.03 -0.11 7.08 5.12 -1.26 -0.79 116.66 127.74 2dly n ARG 81 Ca -0.20 0.33 0.12 0.00 -1.93 0.00 0.00 57.85 56.17 2dly n ARG 81 Cb 0.57 -1.50 0.22 0.00 -1.16 0.00 0.00 32.46 30.59 2dly n ARG 81 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2dly n ARG 82 N -1.43 2.31 -3.68 5.56 5.12 -1.26 -4.91 116.66 118.36 2dly n ARG 82 Ca 0.02 -1.95 -0.14 0.00 -1.93 0.00 0.00 57.85 53.85 2dly n ARG 82 Cb 0.07 -1.48 -0.09 0.00 -1.16 0.00 0.00 32.46 29.80 2dly n ARG 82 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2dly s LYS 83 N -1.72 0.65 -0.10 5.56 -0.14 0.03 -5.16 119.74 118.87 2dly s LYS 83 Ca 0.35 0.68 -0.13 0.00 -1.36 0.00 0.00 55.97 55.50 2dly s LYS 83 Cb 0.21 0.32 0.03 0.00 -1.68 0.00 0.00 37.83 36.71 2dly s LYS 83 CO 0.31 -0.09 0.34 0.08 -0.76 0.00 0.00 175.35 175.22 2dly s VAL 84 N 0.13 0.02 0.27 3.17 1.01 -1.26 -3.93 120.40 119.80 2dly s VAL 84 Ca -0.01 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 61.86 2dly s VAL 84 Cb -0.04 -0.53 -0.05 0.00 0.00 0.00 0.00 36.38 35.77 2dly s VAL 84 CO 0.01 -0.07 0.10 -0.36 0.00 0.00 0.00 175.10 174.79 2dly s PHE 85 N -0.23 1.58 -0.25 5.22 0.08 0.49 -5.01 117.98 119.85 2dly s PHE 85 Ca -0.04 -1.19 -0.02 0.00 0.12 0.00 0.00 56.93 55.81 2dly s PHE 85 Cb -0.03 -0.92 -0.17 0.00 -0.57 0.00 0.00 43.02 41.32 2dly s PHE 85 CO 0.02 -0.34 -0.18 0.45 -0.10 0.00 0.00 175.22 175.07 2dly n SER 86 N -0.55 1.99 -4.30 1.36 2.88 -1.26 -1.34 113.62 112.40 2dly n SER 86 Ca -0.00 -0.03 -0.17 0.00 -1.33 0.00 0.00 58.87 57.34 2dly n SER 86 Cb 0.66 -0.52 -0.10 0.00 -0.75 0.00 0.00 64.21 63.50 2dly n SER 86 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2dly s THR 87 N -2.52 1.51 0.47 2.46 -4.23 -1.26 -4.25 115.64 107.82 2dly s THR 87 Ca -0.34 -2.06 0.18 0.00 -1.18 0.00 0.00 61.69 58.29 2dly s THR 87 Cb 0.10 -1.88 0.36 0.00 1.34 0.00 0.00 72.50 72.41 2dly s THR 87 CO 0.60 -0.59 1.97 -0.07 -0.54 0.00 0.00 174.62 176.00 2dly h LEU 88 N 2.85 0.24 0.45 4.79 3.38 -1.98 -1.64 115.31 123.40 2dly h LEU 88 Ca -0.38 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 2dly h LEU 88 Cb 1.21 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2dly h LEU 88 CO 0.59 0.13 -0.22 -1.13 0.09 0.00 0.00 178.44 177.91 2dly h ASN 89 N 0.26 -0.51 0.58 -0.43 -0.73 -2.00 -1.89 115.58 110.85 2dly h ASN 89 Ca 0.28 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.46 2dly h ASN 89 Cb 0.77 0.13 0.00 0.00 0.27 0.00 0.00 38.32 39.49 2dly h ASN 89 CO -0.06 -0.35 0.00 -0.62 -0.37 0.00 0.00 177.43 176.02 2dly n GLU 90 N -5.34 0.15 0.08 6.67 1.02 -0.82 -0.64 120.64 121.75 2dly n GLU 90 Ca -0.11 0.42 -0.18 0.00 -0.02 0.00 0.00 57.16 57.27 2dly n GLU 90 Cb 0.26 -1.81 -0.10 0.00 -0.02 0.00 0.00 31.44 29.77 2dly n GLU 90 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2dly h PHE 91 N 0.00 0.80 0.05 -0.32 3.04 -0.56 -3.21 116.94 116.74 2dly h PHE 91 Ca 0.00 -0.48 -0.35 0.00 3.98 0.00 0.00 57.97 61.12 2dly h PHE 91 Cb 0.29 -0.07 -0.04 0.00 2.56 0.00 0.00 35.95 38.69 2dly h PHE 91 CO 0.00 1.33 -2.02 0.28 -2.02 0.00 0.00 178.31 175.88 2dly n VAL 92 N -3.74 1.64 0.31 1.41 0.31 -0.85 -3.55 118.33 113.86 2dly n VAL 92 Ca -0.10 -0.71 0.19 0.00 -0.01 0.00 0.00 64.34 63.70 2dly n VAL 92 Cb 0.93 -1.32 1.04 0.00 -0.91 0.00 0.00 33.84 33.59 2dly n VAL 92 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2dly h ASN 93 N 0.03 0.00 0.00 4.52 2.35 -1.02 -0.54 115.58 120.92 2dly h ASN 93 Ca -0.41 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.34 2dly h ASN 93 Cb 2.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.40 2dly h ASN 93 CO 0.05 0.00 -0.34 0.22 -1.65 0.00 0.00 177.43 175.71 2dly h TYR 94 N 0.00 0.00 0.00 1.19 5.03 -1.69 -3.36 116.97 118.13 2dly h TYR 94 Ca 0.01 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.32 2dly h TYR 94 Cb 0.14 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.42 2dly h TYR 94 CO 0.00 0.00 0.20 1.88 -1.32 0.00 0.00 178.16 178.92 2dly h TYR 95 N -0.79 0.00 0.00 -3.82 0.05 -1.58 0.22 116.97 111.05 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 0.34 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.08 2dly h TYR 95 CO -0.15 0.00 0.00 0.25 -1.05 0.00 0.00 178.16 177.21 2dly n THR 96 N -2.23 0.91 -0.09 -2.88 -2.24 -0.22 -2.61 114.28 104.93 2dly n THR 96 Ca -0.01 0.24 -0.11 0.00 -2.27 0.00 0.00 64.05 61.90 2dly n THR 96 Cb 0.22 -1.08 -0.15 0.00 -2.10 0.00 0.00 70.33 67.22 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 -1.89 1.45 -3.52 4.28 -2.24 0.78 -4.82 114.28 108.33 2dly n THR 97 Ca 0.03 -0.81 -0.16 0.00 -2.27 0.00 0.00 64.05 60.83 2dly n THR 97 Cb 0.20 -0.70 -0.05 0.00 -2.10 0.00 0.00 70.33 67.67 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 -2.51 0.00 -0.42 4.28 -1.32 -1.07 -5.04 115.64 109.55 2dly s THR 98 Ca -0.12 -0.04 -0.02 0.00 -1.21 0.00 0.00 61.69 60.30 2dly s THR 98 Cb 0.07 -0.98 0.19 0.00 -1.51 0.00 0.00 72.50 70.27 2dly s THR 98 CO 0.80 -0.02 2.29 -1.54 -2.21 0.00 0.00 174.62 173.93 2dly n SER 99 N 0.66 6.66 -3.28 8.08 3.41 -1.26 -4.39 113.62 123.49 2dly n SER 99 Ca -0.19 -3.23 -0.23 0.00 -0.26 0.00 0.00 58.87 54.97 2dly n SER 99 Cb 0.59 -1.11 -0.14 0.00 -0.26 0.00 0.00 64.21 63.29 2dly n SER 99 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2dly n ASP 100 N 0.35 -0.45 0.00 4.04 8.00 -1.26 -0.45 116.55 126.79 2dly n ASP 100 Ca 0.41 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.77 2dly n ASP 100 Cb 0.57 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 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 4.37 1.81 3.29 0.44 0.00 -1.26 -4.98 105.19 108.86 2dly n GLY 101 Ca 0.49 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.80 0.22 0.99 4.77 0.40 -4.80 117.00 115.78 2dly n LEU 102 Ca 0.00 0.70 0.07 0.00 -0.03 0.00 0.00 56.01 56.75 2dly n LEU 102 Cb 0.00 -0.91 0.60 0.00 -2.33 0.00 0.00 43.42 40.78 2dly n LEU 102 CO 0.00 -4.39 1.07 0.00 -1.33 0.00 0.00 177.39 172.73 2dly s VAL 104 N -5.09 0.08 0.20 0.00 0.11 -1.26 -5.10 120.40 109.34 2dly s VAL 104 Ca -0.05 -0.63 -0.21 0.00 -2.93 0.00 0.00 61.98 58.17 2dly s VAL 104 Cb 0.17 -1.10 -0.08 0.00 -1.53 0.00 0.00 36.38 33.84 2dly s VAL 104 CO 0.68 -0.35 0.72 -0.75 -3.33 0.00 0.00 175.10 172.07 2dly s LYS 105 N -3.27 4.30 -0.50 1.54 2.20 -1.26 -4.70 119.74 118.06 2dly s LYS 105 Ca -0.00 0.90 -0.28 0.00 -0.36 0.00 0.00 55.97 56.23 2dly s LYS 105 Cb 0.01 -2.99 0.00 0.00 -1.51 0.00 0.00 37.83 33.35 2dly s LYS 105 CO -0.08 0.45 1.54 -0.51 -0.36 0.00 0.00 175.35 176.39 2dly s LEU 106 N -1.73 3.45 0.00 5.43 1.43 -1.23 -4.68 118.68 121.34 2dly s LEU 106 Ca 0.40 0.58 0.00 0.00 -1.03 0.00 0.00 54.13 54.08 2dly s LEU 106 Cb -0.18 -3.17 0.00 0.00 0.03 0.00 0.00 46.19 42.87 2dly s LEU 106 CO 0.22 -1.74 0.00 -0.62 0.23 0.00 0.00 176.35 174.44 2dly n GLU 107 N 8.56 0.00 -4.12 1.70 -0.58 -1.23 -4.38 120.64 120.59 2dly n GLU 107 Ca 0.16 0.38 -0.14 0.00 -0.42 0.00 0.00 57.16 57.14 2dly n GLU 107 Cb 0.49 -0.88 -0.11 0.00 -0.57 0.00 0.00 31.44 30.37 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 -0.78 0.68 0.37 3.49 1.02 -1.26 -5.05 119.74 118.21 2dly s LYS 108 Ca 0.00 -0.92 -0.26 0.00 0.02 0.00 0.00 55.97 54.81 2dly s LYS 108 Cb 0.00 -0.46 -0.09 0.00 -0.52 0.00 0.00 37.83 36.76 2dly s LYS 108 CO 0.00 0.08 1.20 -1.25 -0.92 0.00 0.00 175.35 174.46 2dly s PRO 109 N -1.99 4.17 1.03 -1.68 0.04 -1.26 -2.58 135.00 132.74 2dly s PRO 109 Ca -0.04 1.93 -0.17 0.00 0.04 0.00 0.00 61.00 62.76 2dly s PRO 109 Cb -0.08 -2.81 0.03 0.00 0.04 0.00 0.00 34.50 31.68 2dly s PRO 109 CO 0.00 -0.25 -0.05 0.00 0.04 0.00 0.00 177.00 176.74 2dly s LEU 111 N 0.45 2.97 -0.02 0.00 1.43 -1.26 -4.61 118.68 117.64 2dly s LEU 111 Ca 0.53 -0.97 0.06 0.00 -1.03 0.00 0.00 54.13 52.72 2dly s LEU 111 Cb -0.14 -1.46 -0.01 0.00 0.03 0.00 0.00 46.19 44.61 2dly s LEU 111 CO 0.68 -1.35 -0.19 -0.54 0.23 0.00 0.00 176.35 175.18 2dly s LYS 112 N -4.62 1.57 0.18 1.70 3.01 -1.26 -4.95 119.74 115.37 2dly s LYS 112 Ca 0.57 -0.68 -0.30 0.00 -1.01 0.00 0.00 55.97 54.55 2dly s LYS 112 Cb -0.05 -1.51 -0.08 0.00 -1.01 0.00 0.00 37.83 35.19 2dly s LYS 112 CO 0.36 0.40 1.05 0.42 0.51 0.00 0.00 175.35 178.09 2dly s ILE 113 N -0.42 3.99 0.26 2.17 -1.09 -1.26 -4.98 121.20 119.87 2dly s ILE 113 Ca 0.07 1.75 -0.31 0.00 -2.23 0.00 0.00 60.65 59.93 2dly s ILE 113 Cb -0.08 -4.12 -0.13 0.00 -1.58 0.00 0.00 42.46 36.56 2dly s ILE 113 CO -0.01 0.32 1.51 0.00 -1.23 0.00 0.00 174.94 175.53 2dly n GLN 114 N 2.27 2.37 -1.20 2.79 6.02 -1.26 -4.87 117.38 123.51 2dly n GLN 114 Ca 0.02 0.84 -0.21 0.00 -0.01 0.00 0.00 57.00 57.65 2dly n GLN 114 Cb 0.47 -2.57 -0.04 0.00 1.02 0.00 0.00 30.24 29.12 2dly n GLN 114 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2dly n VAL 115 N 2.14 3.05 -4.27 5.09 0.24 -1.26 -4.77 118.33 118.55 2dly n VAL 115 Ca 0.11 -2.28 -0.36 0.00 -2.04 0.00 0.00 64.34 59.77 2dly n VAL 115 Cb 0.34 -1.55 -0.04 0.00 -1.47 0.00 0.00 33.84 31.12 2dly n VAL 115 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2dly n SER 116 N 0.90 -2.42 -3.85 -1.34 2.88 -1.26 -4.93 113.62 103.61 2dly n SER 116 Ca 0.40 -1.08 -0.12 0.00 -1.33 0.00 0.00 58.87 56.75 2dly n SER 116 Cb 0.60 -2.48 -0.11 0.00 -0.75 0.00 0.00 64.21 61.47 2dly n SER 116 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dly s GLY 117 N -3.47 -0.03 0.00 0.46 0.00 -1.26 -5.02 107.32 98.00 2dly s GLY 117 Ca 0.63 0.12 0.14 0.00 0.00 0.00 0.00 44.72 45.62 2dly s GLY 117 CO 0.95 0.01 1.43 -1.55 0.00 0.00 0.00 173.10 173.93 2dly n PRO 118 N 2.04 0.11 -1.40 2.90 -0.04 -1.26 -4.80 135.00 132.55 2dly n PRO 118 Ca -0.19 0.20 -0.50 0.00 -0.04 0.00 0.00 63.50 62.97 2dly n PRO 118 Cb 0.57 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.43 2dly n PRO 118 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dly n SER 119 N -1.39 1.37 -3.91 3.54 3.41 -1.26 -4.90 113.62 110.48 2dly n SER 119 Ca 0.05 0.37 -0.18 0.00 -0.26 0.00 0.00 58.87 58.86 2dly n SER 119 Cb 0.14 -1.11 -0.16 0.00 -0.26 0.00 0.00 64.21 62.82 2dly n SER 119 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dly s SER 120 N 7.66 0.70 0.00 4.04 1.04 -1.26 -5.04 113.70 120.84 2dly s SER 120 Ca 1.17 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 57.50 2dly s SER 120 Cb -1.07 -0.25 0.00 0.00 0.10 0.00 0.00 66.02 64.80 2dly s SER 120 CO 0.52 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.34