#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sds h LYS 6 N 0.00 0.00 -3.36 5.55 1.57 -2.02 -3.46 116.57 114.85 1sds h LYS 6 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1sds h LYS 6 Cb 0.00 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.19 1sds h LYS 6 CO 0.00 0.49 -0.03 -0.59 -0.57 0.00 0.00 179.45 178.74 1sds s PHE 7 N -3.61 -0.18 0.02 -1.35 -0.12 -1.26 -5.09 117.98 106.39 1sds s PHE 7 Ca -0.01 -0.14 -0.14 0.00 -0.05 0.00 0.00 56.93 56.59 1sds s PHE 7 Cb 0.12 0.30 -0.06 0.00 -0.63 0.00 0.00 43.02 42.75 1sds s PHE 7 CO 0.72 -0.77 0.42 0.21 -0.05 0.00 0.00 175.22 175.74 1sds s LYS 8 N -3.83 3.89 -0.13 1.99 2.36 -1.26 -4.88 119.74 117.89 1sds s LYS 8 Ca 0.05 0.38 0.02 0.00 -2.55 0.00 0.00 55.97 53.88 1sds s LYS 8 Cb 0.01 -3.17 0.00 0.00 -1.05 0.00 0.00 37.83 33.63 1sds s LYS 8 CO -0.09 0.66 -0.21 0.08 1.55 0.00 0.00 175.35 177.34 1sds s VAL 9 N -1.16 2.22 0.36 4.02 1.01 -1.26 -4.95 120.40 120.64 1sds s VAL 9 Ca 0.26 -0.94 -0.28 0.00 0.00 0.00 0.00 61.98 61.02 1sds s VAL 9 Cb -0.16 -1.88 -0.12 0.00 0.00 0.00 0.00 36.38 34.22 1sds s VAL 9 CO 0.15 0.55 1.40 -2.65 0.00 0.00 0.00 175.10 174.55 1sds n PRO 10 N 3.84 2.43 -0.34 2.72 -0.02 -1.26 -4.74 135.00 137.63 1sds n PRO 10 Ca -0.19 0.85 0.21 0.00 -2.02 0.00 0.00 63.50 62.35 1sds n PRO 10 Cb 0.52 -2.52 0.47 0.00 -0.02 0.00 0.00 33.50 31.95 1sds n PRO 10 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1sds h GLU 11 N 2.88 0.44 -0.63 -0.52 4.22 -1.99 0.18 114.58 119.16 1sds h GLU 11 Ca -0.48 -0.03 -0.05 0.00 0.08 0.00 0.00 59.36 58.88 1sds h GLU 11 Cb 1.26 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.38 1sds h GLU 11 CO 0.64 0.29 0.21 1.49 -2.18 0.00 0.00 179.01 179.46 1sds h GLU 12 N 0.45 0.98 0.00 1.92 4.57 -2.00 -1.74 114.58 118.76 1sds h GLU 12 Ca 0.62 -0.20 -0.12 0.00 -1.18 0.00 0.00 59.36 58.47 1sds h GLU 12 Cb 1.44 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.86 1sds h GLU 12 CO -0.37 0.85 -0.58 0.82 -1.18 0.00 0.00 179.01 178.55 1sds h ILE 13 N 0.91 1.21 -0.20 2.32 2.04 -1.09 -2.80 117.51 119.89 1sds h ILE 13 Ca 0.21 -2.16 -0.10 0.00 1.00 0.00 0.00 64.86 63.81 1sds h ILE 13 Cb 0.28 2.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.58 1sds h ILE 13 CO -0.01 0.57 -0.32 1.56 0.00 0.00 0.00 178.15 179.96 1sds h GLN 14 N 0.00 0.40 -0.52 2.37 4.20 -0.62 -1.10 115.11 119.83 1sds h GLN 14 Ca -0.01 -0.17 -0.10 0.00 0.06 0.00 0.00 58.65 58.44 1sds h GLN 14 Cb 1.19 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.93 1sds h GLN 14 CO 0.08 0.68 -0.07 -0.22 -0.67 0.00 0.00 178.83 178.62 1sds h LYS 15 N 0.35 0.95 -0.08 1.46 1.63 -1.09 -1.38 116.57 118.41 1sds h LYS 15 Ca 0.04 -0.32 -0.11 0.00 -0.85 0.00 0.00 60.65 59.42 1sds h LYS 15 Cb 0.73 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.27 1sds h LYS 15 CO 0.06 0.98 -0.44 0.93 -3.45 0.00 0.00 179.45 177.53 1sds h GLU 16 N 0.85 0.19 -0.32 1.90 5.08 -1.20 -1.20 114.58 119.88 1sds h GLU 16 Ca 0.14 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 1sds h GLU 16 Cb 0.61 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1sds h GLU 16 CO 0.04 0.60 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.47 1sds h LEU 17 N 0.16 0.65 -1.09 1.33 3.38 -0.76 -0.81 115.31 118.16 1sds h LEU 17 Ca 0.01 -0.38 -0.07 0.00 0.09 0.00 0.00 57.88 57.53 1sds h LEU 17 Cb 0.84 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1sds h LEU 17 CO 0.07 0.88 -0.08 -0.07 0.09 0.00 0.00 178.44 179.32 1sds h LEU 18 N 0.41 0.53 -0.56 1.67 3.38 -1.05 -2.29 115.31 117.40 1sds h LEU 18 Ca 0.08 -0.13 -0.16 0.00 0.09 0.00 0.00 57.88 57.76 1sds h LEU 18 Cb 0.61 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1sds h LEU 18 CO 0.04 0.66 -0.68 -0.78 0.09 0.00 0.00 178.44 177.76 1sds h ASP 19 N 0.51 0.24 -0.18 -0.43 3.58 -1.05 -2.16 116.42 116.93 1sds h ASP 19 Ca 0.10 -0.15 -0.10 0.00 0.42 0.00 0.00 57.03 57.30 1sds h ASP 19 Cb 0.46 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 1sds h ASP 19 CO 0.02 0.85 -0.21 0.00 -2.88 0.00 0.00 179.24 177.03 1sds h ALA 20 N 1.15 1.03 -0.13 -0.78 0.00 -0.78 -1.62 119.26 118.13 1sds h ALA 20 Ca -0.02 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1sds h ALA 20 Cb 1.22 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1sds h ALA 20 CO 0.10 0.58 -0.03 0.28 0.00 0.00 0.00 179.25 180.19 1sds h VAL 21 N 0.55 1.29 0.00 0.00 2.07 -1.22 -1.91 116.25 117.03 1sds h VAL 21 Ca 0.08 -0.96 -0.03 0.00 0.82 0.00 0.00 66.70 66.61 1sds h VAL 21 Cb 0.66 1.67 -0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1sds h VAL 21 CO 0.05 0.28 -0.16 0.00 0.02 0.00 0.00 177.57 177.75 1sds h ALA 22 N 0.70 1.52 0.00 1.67 0.00 -1.21 -2.70 119.26 119.24 1sds h ALA 22 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1sds h ALA 22 Cb 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1sds h ALA 22 CO 0.01 0.20 -0.84 1.63 0.00 0.00 0.00 179.25 180.26 1sds n LYS 23 N -4.04 0.38 -1.69 0.00 5.02 -0.63 -4.96 118.16 112.25 1sds n LYS 23 Ca -0.02 0.07 -0.39 0.00 -2.02 0.00 0.00 58.31 55.96 1sds n LYS 23 Cb 0.24 -1.70 0.04 0.00 -0.02 0.00 0.00 35.03 33.59 1sds n LYS 23 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sds n ALA 24 N -1.93 0.97 0.03 7.82 0.00 -0.72 -3.45 120.51 123.23 1sds n ALA 24 Ca 0.02 0.10 -0.05 0.00 0.00 0.00 0.00 53.44 53.50 1sds n ALA 24 Cb 0.47 -2.25 -0.10 0.00 0.00 0.00 0.00 19.45 17.57 1sds n ALA 24 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1sds h GLN 25 N 1.11 0.00 -2.66 0.00 1.08 0.07 -3.45 115.11 111.27 1sds h GLN 25 Ca -0.49 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 56.58 1sds h GLN 25 Cb 1.33 0.00 -0.28 0.00 -0.05 0.00 0.00 27.48 28.48 1sds h GLN 25 CO 0.55 0.64 -0.36 0.21 -0.95 0.00 0.00 178.83 178.92 1sds s LYS 26 N -2.73 0.33 0.24 1.46 2.20 -0.85 -4.96 119.74 115.44 1sds s LYS 26 Ca -0.01 0.84 0.01 0.00 -0.36 0.00 0.00 55.97 56.44 1sds s LYS 26 Cb 0.09 0.08 -0.05 0.00 -1.51 0.00 0.00 37.83 36.44 1sds s LYS 26 CO 0.81 -0.20 0.12 0.96 -0.36 0.00 0.00 175.35 176.68 1sds s ILE 27 N 1.86 0.32 -0.07 5.43 -4.36 -1.26 -0.96 121.20 122.16 1sds s ILE 27 Ca -0.06 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.37 1sds s ILE 27 Cb -0.10 -2.58 0.00 0.00 1.25 0.00 0.00 42.46 41.04 1sds s ILE 27 CO -0.12 0.00 -0.19 -0.54 0.24 0.00 0.00 174.94 174.33 1sds s LYS 28 N -4.06 2.25 -0.10 0.37 -0.14 -0.28 -4.90 119.74 112.87 1sds s LYS 28 Ca 0.38 -0.67 0.03 0.00 -1.36 0.00 0.00 55.97 54.35 1sds s LYS 28 Cb 0.07 -1.82 -0.01 0.00 -1.68 0.00 0.00 37.83 34.40 1sds s LYS 28 CO 0.13 0.18 -0.21 0.15 -0.76 0.00 0.00 175.35 174.84 1sds s LYS 29 N 0.28 3.04 0.00 1.68 1.02 -1.26 -1.12 119.74 123.38 1sds s LYS 29 Ca -0.12 -0.83 0.00 0.00 0.02 0.00 0.00 55.97 55.04 1sds s LYS 29 Cb -0.15 -2.36 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 1sds s LYS 29 CO 0.05 0.23 0.00 0.41 -0.92 0.00 0.00 175.35 175.12 1sds n GLY 30 N 3.40 2.62 0.29 -3.33 0.00 -0.67 -4.59 105.19 102.91 1sds n GLY 30 Ca -0.18 -1.67 0.05 0.00 0.00 0.00 0.00 46.02 44.21 1sds n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sds h ALA 31 N 0.00 1.13 -0.09 4.61 0.00 -1.94 -0.04 119.26 122.93 1sds h ALA 31 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1sds h ALA 31 Cb 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1sds h ALA 31 CO 0.00 -0.08 0.01 -0.91 0.00 0.00 0.00 179.25 178.27 1sds h ASN 32 N 0.59 0.14 0.00 0.00 4.21 -1.96 -0.73 115.58 117.84 1sds h ASN 32 Ca 0.41 -0.27 -0.12 0.00 1.21 0.00 0.00 56.30 57.53 1sds h ASN 32 Cb 0.53 -0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 37.68 1sds h ASN 32 CO -0.33 0.37 -0.38 -0.33 -1.29 0.00 0.00 177.43 175.47 1sds h GLU 33 N -0.10 0.50 -0.27 0.81 5.08 -1.75 -0.44 114.58 118.41 1sds h GLU 33 Ca 0.03 -0.24 -0.07 0.00 -1.00 0.00 0.00 59.36 58.08 1sds h GLU 33 Cb 0.29 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1sds h GLU 33 CO 0.00 0.80 -0.09 0.28 -1.00 0.00 0.00 179.01 179.00 1sds h VAL 34 N 0.42 1.29 -0.59 3.13 2.07 -0.99 -1.49 116.25 120.09 1sds h VAL 34 Ca 0.04 -1.15 -0.05 0.00 0.82 0.00 0.00 66.70 66.36 1sds h VAL 34 Cb 0.86 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 1sds h VAL 34 CO 0.07 0.36 0.18 0.74 0.02 0.00 0.00 177.57 178.94 1sds h THR 35 N 0.28 1.24 -0.77 2.57 2.02 -1.01 -1.76 112.91 115.49 1sds h THR 35 Ca 0.06 -0.84 -0.03 0.00 0.77 0.00 0.00 66.41 66.38 1sds h THR 35 Cb 0.59 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 1sds h THR 35 CO 0.03 0.32 0.37 0.11 0.37 0.00 0.00 175.52 176.72 1sds h LYS 36 N 0.84 1.10 -0.39 6.66 1.57 -1.00 -1.28 116.57 124.06 1sds h LYS 36 Ca 0.19 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 1sds h LYS 36 Cb 0.30 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1sds h LYS 36 CO -0.00 0.84 0.07 0.00 -0.57 0.00 0.00 179.45 179.79 1sds h ALA 37 N 1.31 0.52 -0.47 3.86 0.00 -0.94 -1.14 119.26 122.41 1sds h ALA 37 Ca 0.27 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1sds h ALA 37 Cb 0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1sds h ALA 37 CO -0.03 0.23 0.14 0.28 0.00 0.00 0.00 179.25 179.87 1sds h VAL 38 N 0.50 1.23 -0.97 0.00 2.07 -1.11 -0.57 116.25 117.39 1sds h VAL 38 Ca 0.12 -0.75 0.03 0.00 0.82 0.00 0.00 66.70 66.92 1sds h VAL 38 Cb 0.35 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 1sds h VAL 38 CO 0.01 0.27 0.64 -0.33 0.02 0.00 0.00 177.57 178.18 1sds h GLU 39 N 0.62 1.21 0.00 1.57 4.39 -1.07 -0.57 114.58 120.73 1sds h GLU 39 Ca 0.15 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1sds h GLU 39 Cb 0.27 -0.27 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1sds h GLU 39 CO -0.00 0.80 0.00 0.54 -1.16 0.00 0.00 179.01 179.18 1sds n ARG 40 N -4.43 0.06 -1.89 2.33 1.74 -0.45 -4.93 116.66 109.09 1sds n ARG 40 Ca 0.13 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.13 1sds n ARG 40 Cb 0.08 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.01 1sds n ARG 40 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sds n GLY 41 N 1.47 0.31 0.49 -0.13 0.00 -0.22 -4.93 105.19 102.17 1sds n GLY 41 Ca 0.08 -0.60 0.08 0.00 0.00 0.00 0.00 46.02 45.58 1sds n GLY 41 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1sds n ILE 42 N -3.66 0.00 -2.87 -0.61 -5.35 -0.75 -4.96 119.36 101.16 1sds n ILE 42 Ca -0.09 -0.40 -0.40 0.00 -0.27 0.00 0.00 62.75 61.59 1sds n ILE 42 Cb 0.48 1.26 -0.05 0.00 -1.74 0.00 0.00 39.64 39.59 1sds n ILE 42 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sds s ALA 43 N -1.73 3.31 -0.11 -1.28 0.00 -1.24 -4.57 121.76 116.13 1sds s ALA 43 Ca 0.16 0.41 0.20 0.00 0.00 0.00 0.00 51.96 52.72 1sds s ALA 43 Cb 0.14 -3.13 -0.27 0.00 0.00 0.00 0.00 23.12 19.86 1sds s ALA 43 CO 0.34 0.01 0.36 1.63 0.00 0.00 0.00 175.76 178.09 1sds n LYS 44 N 2.90 0.67 -3.64 0.00 5.02 0.15 -4.92 118.16 118.34 1sds n LYS 44 Ca -0.00 -0.07 -0.07 0.00 -2.02 0.00 0.00 58.31 56.15 1sds n LYS 44 Cb 0.50 -1.56 -0.07 0.00 -0.02 0.00 0.00 35.03 33.88 1sds n LYS 44 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1sds s LEU 45 N -5.06 -0.85 -0.14 -0.35 2.96 -1.23 -4.19 118.68 109.81 1sds s LEU 45 Ca -0.08 1.39 -0.02 0.00 -0.22 0.00 0.00 54.13 55.19 1sds s LEU 45 Cb 0.10 2.29 -0.02 0.00 0.50 0.00 0.00 46.19 49.05 1sds s LEU 45 CO 0.86 -0.22 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.92 1sds s VAL 46 N 1.41 3.65 -0.16 1.68 1.01 0.09 -0.93 120.40 127.15 1sds s VAL 46 Ca -0.08 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 1sds s VAL 46 Cb -0.05 -2.58 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 1sds s VAL 46 CO -0.16 0.51 -0.10 -0.63 0.00 0.00 0.00 175.10 174.71 1sds s ILE 47 N 0.28 3.13 -0.10 2.22 1.01 0.30 -1.04 121.20 127.01 1sds s ILE 47 Ca -0.05 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.01 1sds s ILE 47 Cb -0.14 -2.35 -0.02 0.00 0.01 0.00 0.00 42.46 39.96 1sds s ILE 47 CO 0.04 0.49 -0.16 -0.63 0.00 0.00 0.00 174.94 174.68 1sds s ILE 48 N 0.76 2.82 0.40 2.92 1.01 0.19 -1.09 121.20 128.20 1sds s ILE 48 Ca -0.04 -0.77 -0.24 0.00 0.00 0.00 0.00 60.65 59.60 1sds s ILE 48 Cb -0.15 -2.13 -0.09 0.00 0.01 0.00 0.00 42.46 40.09 1sds s ILE 48 CO 0.01 0.55 1.02 0.00 0.00 0.00 0.00 174.94 176.52 1sds s ALA 49 N -0.00 3.08 -0.72 9.38 0.00 -0.22 -1.37 121.76 131.91 1sds s ALA 49 Ca -0.05 0.62 0.24 0.00 0.00 0.00 0.00 51.96 52.77 1sds s ALA 49 Cb -0.14 -3.24 0.35 0.00 0.00 0.00 0.00 23.12 20.09 1sds s ALA 49 CO 0.04 -0.11 1.31 0.39 0.00 0.00 0.00 175.76 177.40 1sds n GLU 50 N -0.12 0.22 -1.10 0.00 1.02 0.23 -4.21 120.64 116.69 1sds n GLU 50 Ca 0.05 0.05 -0.17 0.00 -0.02 0.00 0.00 57.16 57.07 1sds n GLU 50 Cb 0.51 -1.63 0.18 0.00 -0.02 0.00 0.00 31.44 30.48 1sds n GLU 50 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1sds n ASP 51 N -1.95 3.44 -4.70 1.62 5.75 -1.17 -4.98 116.55 114.56 1sds n ASP 51 Ca 0.04 -3.69 -0.42 0.00 -0.01 0.00 0.00 54.79 50.71 1sds n ASP 51 Cb 0.41 -0.77 -0.03 0.00 -1.03 0.00 0.00 41.12 39.71 1sds n ASP 51 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1sds s VAL 52 N -3.36 4.44 -0.04 2.12 1.01 -1.26 -4.88 120.40 118.42 1sds s VAL 52 Ca 0.53 1.75 -0.02 0.00 0.00 0.00 0.00 61.98 64.24 1sds s VAL 52 Cb 0.45 -4.12 0.03 0.00 0.00 0.00 0.00 36.38 32.74 1sds s VAL 52 CO 0.06 0.09 0.05 -0.54 0.00 0.00 0.00 175.10 174.76 1sds s LYS 53 N 1.40 0.02 0.31 2.72 3.01 -1.26 -2.74 119.74 123.21 1sds s LYS 53 Ca 0.55 0.32 -0.29 0.00 -1.01 0.00 0.00 55.97 55.53 1sds s LYS 53 Cb -0.24 -0.54 -0.10 0.00 -1.01 0.00 0.00 37.83 35.93 1sds s LYS 53 CO 0.26 -0.30 1.41 -2.14 0.51 0.00 0.00 175.35 175.08 1sds s PRO 54 N 2.00 4.26 0.61 -1.68 0.02 -1.26 -5.07 135.00 133.89 1sds s PRO 54 Ca 0.03 2.34 0.40 0.00 0.02 0.00 0.00 61.00 63.80 1sds s PRO 54 Cb -0.12 -3.06 2.06 0.00 0.02 0.00 0.00 34.50 33.40 1sds s PRO 54 CO -0.03 -0.37 2.22 1.05 -0.33 0.00 0.00 177.00 179.54 1sds h GLU 55 N 3.94 0.00 -0.22 5.54 9.09 -1.93 -2.54 114.58 128.47 1sds h GLU 55 Ca -0.48 0.00 0.06 0.00 0.05 0.00 0.00 59.36 58.99 1sds h GLU 55 Cb 1.23 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.32 1sds h GLU 55 CO 0.70 0.00 0.22 0.93 0.05 0.00 0.00 179.01 180.91 1sds h GLU 56 N 0.00 0.00 -0.97 1.06 3.07 -1.98 -1.93 114.58 113.83 1sds h GLU 56 Ca 0.00 0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.92 1sds h GLU 56 Cb 0.16 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.00 1sds h GLU 56 CO 0.00 0.00 0.63 0.28 -1.40 0.00 0.00 179.01 178.52 1sds h VAL 57 N 0.00 1.10 -0.06 3.13 2.07 -1.83 -3.13 116.25 117.52 1sds h VAL 57 Ca 0.10 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1sds h VAL 57 Cb 0.53 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1sds h VAL 57 CO -0.00 0.21 0.00 1.33 0.02 0.00 0.00 177.57 179.13 1sds n VAL 58 N -4.49 0.71 0.11 2.57 0.24 -0.99 -4.73 118.33 111.76 1sds n VAL 58 Ca 0.15 -0.86 0.15 0.00 -2.04 0.00 0.00 64.34 61.74 1sds n VAL 58 Cb 0.17 0.66 0.67 0.00 -1.47 0.00 0.00 33.84 33.88 1sds n VAL 58 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1sds h ALA 59 N 0.53 2.29 0.00 2.33 0.00 -1.30 -2.36 119.26 120.75 1sds h ALA 59 Ca 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1sds h ALA 59 Cb 0.43 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1sds h ALA 59 CO 0.00 -0.39 -0.31 1.12 0.00 0.00 0.00 179.25 179.68 1sds h HIS 60 N 0.00 0.00 -0.22 0.00 2.07 -1.85 -3.38 115.15 111.78 1sds h HIS 60 Ca 0.15 0.00 0.03 0.00 -2.85 0.00 0.00 60.37 57.70 1sds h HIS 60 Cb 0.60 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.55 1sds h HIS 60 CO 0.00 0.31 0.01 -0.07 -3.07 0.00 0.00 177.93 175.10 1sds h LEU 61 N 0.00 -0.07 -0.82 6.12 3.38 -1.78 -1.25 115.31 120.90 1sds h LEU 61 Ca -0.00 0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.12 1sds h LEU 61 Cb 1.04 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.80 1sds h LEU 61 CO 0.04 -0.01 0.45 -0.65 0.09 0.00 0.00 178.44 178.37 1sds h PRO 62 N 0.08 0.72 -0.23 1.13 0.11 -1.76 0.35 132.00 132.39 1sds h PRO 62 Ca 0.10 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 66.01 1sds h PRO 62 Cb 0.12 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.07 1sds h PRO 62 CO -0.17 0.47 -0.48 1.88 -0.21 0.00 0.00 178.00 179.49 1sds h TYR 63 N 0.74 0.93 -0.68 0.65 -1.99 -1.76 -2.61 116.97 112.25 1sds h TYR 63 Ca 0.41 -0.34 -0.03 0.00 2.00 0.00 0.00 58.73 60.76 1sds h TYR 63 Cb 0.43 -0.17 -0.03 0.00 2.00 0.00 0.00 36.73 38.96 1sds h TYR 63 CO -0.07 1.14 0.30 1.25 -0.00 0.00 0.00 178.16 180.77 1sds h LEU 64 N 0.46 0.91 -0.43 3.88 5.85 -0.62 -1.01 115.31 124.36 1sds h LEU 64 Ca 0.00 -0.15 -0.10 0.00 0.84 0.00 0.00 57.88 58.48 1sds h LEU 64 Cb 1.09 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 1sds h LEU 64 CO 0.11 0.81 -0.11 0.00 -0.34 0.00 0.00 178.44 178.91 1sds h GLU 66 N 0.66 1.10 0.00 0.00 4.57 -1.26 0.66 114.58 120.31 1sds h GLU 66 Ca 0.11 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1sds h GLU 66 Cb 0.64 -0.23 -0.00 0.00 -0.16 0.00 0.00 28.75 29.01 1sds h GLU 66 CO 0.04 0.78 -0.02 1.49 -1.18 0.00 0.00 179.01 180.12 1sds h GLU 67 N 1.11 0.00 -0.01 1.92 4.57 -1.01 -2.62 114.58 118.53 1sds h GLU 67 Ca 0.29 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.47 1sds h GLU 67 Cb -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.57 1sds h GLU 67 CO -0.05 0.02 -0.54 1.63 -1.18 0.00 0.00 179.01 178.89 1sds n LYS 68 N -3.14 1.75 -1.99 1.92 4.76 -0.50 -4.98 118.16 115.99 1sds n LYS 68 Ca -0.00 -0.40 -0.07 0.00 -2.87 0.00 0.00 58.31 54.97 1sds n LYS 68 Cb 0.28 -1.26 -0.01 0.00 -1.84 0.00 0.00 35.03 32.20 1sds n LYS 68 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1sds n GLY 69 N 1.27 0.21 3.69 0.72 0.00 0.20 -5.03 105.19 106.26 1sds n GLY 69 Ca 0.05 -0.63 -0.35 0.00 0.00 0.00 0.00 46.02 45.09 1sds n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sds s ILE 70 N -2.31 5.02 0.36 -0.61 1.01 0.47 -5.00 121.20 120.14 1sds s ILE 70 Ca 0.00 0.05 -0.28 0.00 0.00 0.00 0.00 60.65 60.42 1sds s ILE 70 Cb 0.00 -3.26 -0.10 0.00 0.01 0.00 0.00 42.46 39.11 1sds s ILE 70 CO 0.00 0.48 1.37 -2.84 0.00 0.00 0.00 174.94 173.95 1sds s PRO 71 N 0.16 4.21 0.02 2.79 0.02 -1.26 -4.37 135.00 136.57 1sds s PRO 71 Ca 0.06 2.34 -0.09 0.00 0.02 0.00 0.00 61.00 63.32 1sds s PRO 71 Cb -0.12 -2.99 0.01 0.00 0.02 0.00 0.00 34.50 31.42 1sds s PRO 71 CO -0.00 -0.35 0.19 1.52 -0.33 0.00 0.00 177.00 178.02 1sds s TYR 72 N -1.15 0.02 0.33 6.54 -0.85 -1.26 -0.73 117.35 120.25 1sds s TYR 72 Ca 0.51 -0.14 -0.04 0.00 -0.52 0.00 0.00 57.07 56.88 1sds s TYR 72 Cb -0.42 -0.02 0.00 0.00 0.38 0.00 0.00 41.96 41.91 1sds s TYR 72 CO 0.56 -0.36 0.49 0.00 -1.52 0.00 0.00 175.55 174.72 1sds s ALA 73 N -1.89 0.57 0.19 9.51 0.00 -0.21 -4.95 121.76 124.99 1sds s ALA 73 Ca -0.10 -1.40 0.09 0.00 0.00 0.00 0.00 51.96 50.54 1sds s ALA 73 Cb -0.04 1.12 -0.04 0.00 0.00 0.00 0.00 23.12 24.15 1sds s ALA 73 CO -0.00 -0.81 -0.17 0.71 0.00 0.00 0.00 175.76 175.49 1sds s TYR 74 N -3.13 1.82 0.03 0.00 1.51 -1.26 -0.64 117.35 115.69 1sds s TYR 74 Ca 0.29 -0.49 0.03 0.00 -1.01 0.00 0.00 57.07 55.88 1sds s TYR 74 Cb -0.01 -0.87 -0.02 0.00 -0.11 0.00 0.00 41.96 40.96 1sds s TYR 74 CO 0.18 0.38 -0.09 0.14 -1.11 0.00 0.00 175.55 175.06 1sds s VAL 75 N -2.45 0.64 0.16 0.71 -7.23 -0.47 -4.82 120.40 106.93 1sds s VAL 75 Ca 0.20 -0.83 -0.22 0.00 -1.81 0.00 0.00 61.98 59.32 1sds s VAL 75 Cb -0.04 -0.63 0.05 0.00 0.56 0.00 0.00 36.38 36.32 1sds s VAL 75 CO 0.07 -0.16 1.62 0.00 -0.31 0.00 0.00 175.10 176.33 1sds h ALA 76 N 5.01 -0.13 -4.25 1.32 0.00 -1.95 0.69 119.26 119.94 1sds h ALA 76 Ca -0.34 0.09 -0.67 0.00 0.00 0.00 0.00 54.91 53.99 1sds h ALA 76 Cb 1.19 0.58 -0.26 0.00 0.00 0.00 0.00 17.79 19.30 1sds h ALA 76 CO 0.44 -0.68 -0.87 -1.54 0.00 0.00 0.00 179.25 176.59 1sds s SER 77 N -5.05 3.02 0.39 0.00 1.04 -1.26 -3.06 113.70 108.78 1sds s SER 77 Ca -0.15 -0.58 0.20 0.00 0.48 0.00 0.00 55.95 55.90 1sds s SER 77 Cb 0.13 -0.27 0.76 0.00 0.10 0.00 0.00 66.02 66.74 1sds s SER 77 CO 0.68 0.24 1.77 0.07 0.98 0.00 0.00 173.24 176.98 1sds h LYS 78 N 4.79 0.00 -0.31 4.02 2.10 -1.86 -2.02 116.57 123.30 1sds h LYS 78 Ca -0.46 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.13 1sds h LYS 78 Cb 1.15 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.47 1sds h LYS 78 CO 0.44 0.33 -0.07 1.96 -2.00 0.00 0.00 179.45 180.11 1sds h GLN 79 N 0.00 0.59 -0.43 0.07 1.08 -1.89 -0.34 115.11 114.18 1sds h GLN 79 Ca -0.00 -0.22 -0.14 0.00 -1.45 0.00 0.00 58.65 56.84 1sds h GLN 79 Cb 0.83 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.22 1sds h GLN 79 CO 0.04 0.77 -0.27 -0.44 -0.95 0.00 0.00 178.83 177.98 1sds h ASP 80 N 0.36 0.95 -0.65 1.46 3.32 -1.88 -2.16 116.42 117.82 1sds h ASP 80 Ca 0.08 -0.38 -0.05 0.00 0.02 0.00 0.00 57.03 56.70 1sds h ASP 80 Cb 0.55 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 1sds h ASP 80 CO 0.03 1.16 0.22 0.25 -1.72 0.00 0.00 179.24 179.18 1sds h LEU 81 N 0.78 0.94 -0.63 1.55 5.85 -1.29 -0.86 115.31 121.65 1sds h LEU 81 Ca 0.09 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 1sds h LEU 81 Cb 0.84 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 1sds h LEU 81 CO 0.07 0.89 0.22 1.23 -0.34 0.00 0.00 178.44 180.51 1sds h GLY 82 N 0.94 1.03 0.96 3.75 0.00 -1.00 -1.58 103.07 107.17 1sds h GLY 82 Ca 0.21 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 1sds h GLY 82 CO -0.01 0.55 0.19 1.70 0.00 0.00 0.00 176.54 178.97 1sds h LYS 83 N 0.89 0.52 -0.77 4.80 3.11 -1.11 -0.02 116.57 123.98 1sds h LYS 83 Ca 0.21 -0.07 0.03 0.00 -2.81 0.00 0.00 60.65 58.01 1sds h LYS 83 Cb 0.25 -0.10 -0.04 0.00 -1.00 0.00 0.00 32.23 31.34 1sds h LYS 83 CO -0.01 0.45 0.51 0.00 -2.81 0.00 0.00 179.45 177.59 1sds h ALA 84 N 1.04 1.53 0.00 5.00 0.00 -0.94 0.16 119.26 126.05 1sds h ALA 84 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1sds h ALA 84 Cb 0.09 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1sds h ALA 84 CO -0.02 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.63 1sds n ALA 85 N -2.42 2.44 -0.53 0.00 0.00 -0.61 -3.58 120.51 115.81 1sds n ALA 85 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1sds n ALA 85 Cb 0.11 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1sds n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sds n GLY 86 N 0.58 0.74 3.96 0.00 0.00 0.04 -5.06 105.19 105.46 1sds n GLY 86 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 1sds n GLY 86 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sds s LEU 87 N 0.00 3.74 0.00 0.99 1.43 -0.07 -4.99 118.68 119.78 1sds s LEU 87 Ca 0.00 0.18 0.24 0.00 -1.03 0.00 0.00 54.13 53.52 1sds s LEU 87 Cb 0.00 -3.07 0.22 0.00 0.03 0.00 0.00 46.19 43.37 1sds s LEU 87 CO 0.00 -0.62 1.27 -0.62 0.23 0.00 0.00 176.35 176.61 1sds n GLU 88 N -1.96 1.99 -4.45 1.70 4.71 -1.26 -3.89 120.64 117.47 1sds n GLU 88 Ca 0.01 -1.61 -0.29 0.00 -0.01 0.00 0.00 57.16 55.26 1sds n GLU 88 Cb 0.58 -1.47 -0.06 0.00 -1.01 0.00 0.00 31.44 29.48 1sds n GLU 88 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55 1sds n VAL 89 N 0.90 0.00 -1.75 2.62 0.24 -1.26 -5.00 118.33 114.07 1sds n VAL 89 Ca 0.13 -2.25 -0.30 0.00 -2.04 0.00 0.00 64.34 59.88 1sds n VAL 89 Cb 0.55 0.55 0.05 0.00 -1.47 0.00 0.00 33.84 33.51 1sds n VAL 89 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1sds s ALA 90 N -2.88 2.72 -0.07 2.33 0.00 -1.26 -4.05 121.76 118.54 1sds s ALA 90 Ca 0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 51.96 51.77 1sds s ALA 90 Cb 0.00 -3.07 0.04 0.00 0.00 0.00 0.00 23.12 20.09 1sds s ALA 90 CO 0.04 -1.25 0.15 0.00 0.00 0.00 0.00 175.76 174.69 1sds s ALA 91 N -3.24 -0.19 0.30 0.00 0.00 -0.55 -4.76 121.76 113.32 1sds s ALA 91 Ca 0.58 0.60 0.12 0.00 0.00 0.00 0.00 51.96 53.26 1sds s ALA 91 Cb -0.12 -0.60 0.50 0.00 0.00 0.00 0.00 23.12 22.89 1sds s ALA 91 CO 0.53 -0.33 1.69 0.66 0.00 0.00 0.00 175.76 178.31 1sds h SER 92 N 7.75 0.00 -4.99 0.00 4.64 -1.95 -3.39 113.55 115.61 1sds h SER 92 Ca -0.30 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.99 1sds h SER 92 Cb 1.13 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.07 1sds h SER 92 CO 0.30 0.52 0.21 -0.94 -0.87 0.00 0.00 176.83 176.06 1sds s SER 93 N -6.85 -0.59 -0.00 4.97 1.04 -1.26 -1.05 113.70 109.95 1sds s SER 93 Ca -0.02 0.24 -0.03 0.00 0.48 0.00 0.00 55.95 56.62 1sds s SER 93 Cb 0.13 0.57 -0.00 0.00 0.10 0.00 0.00 66.02 66.82 1sds s SER 93 CO 0.75 -0.84 0.06 -0.69 0.98 0.00 0.00 173.24 173.49 1sds s VAL 94 N -2.89 0.06 -0.09 5.02 1.01 -0.25 -1.67 120.40 121.58 1sds s VAL 94 Ca -0.03 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.51 1sds s VAL 94 Cb -0.01 -0.25 0.01 0.00 0.00 0.00 0.00 36.38 36.13 1sds s VAL 94 CO -0.05 -0.26 -0.19 0.00 0.00 0.00 0.00 175.10 174.60 1sds s ALA 95 N -0.82 1.80 -0.21 5.51 0.00 -0.27 -0.54 121.76 127.22 1sds s ALA 95 Ca -0.09 -0.75 -0.21 0.00 0.00 0.00 0.00 51.96 50.91 1sds s ALA 95 Cb -0.05 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.31 1sds s ALA 95 CO 0.00 0.18 0.64 0.42 0.00 0.00 0.00 175.76 177.01 1sds s ILE 96 N 0.54 5.00 -0.24 0.00 1.01 -0.11 -1.13 121.20 126.27 1sds s ILE 96 Ca -0.16 1.20 -0.01 0.00 0.00 0.00 0.00 60.65 61.68 1sds s ILE 96 Cb -0.17 -3.96 -0.18 0.00 0.01 0.00 0.00 42.46 38.17 1sds s ILE 96 CO 0.06 0.08 -0.13 -0.38 0.00 0.00 0.00 174.94 174.56 1sds n ILE 97 N 4.84 1.54 -3.59 2.92 2.08 -0.14 -0.67 119.36 126.35 1sds n ILE 97 Ca -0.01 -0.56 -0.27 0.00 0.56 0.00 0.00 62.75 62.48 1sds n ILE 97 Cb 0.49 -1.53 -0.16 0.00 -0.75 0.00 0.00 39.64 37.69 1sds n ILE 97 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 1sds s ASN 98 N -6.71 2.60 0.83 4.38 3.84 -0.54 -4.69 114.94 114.66 1sds s ASN 98 Ca -0.33 -0.76 -0.12 0.00 0.21 0.00 0.00 52.86 51.86 1sds s ASN 98 Cb 0.09 -0.25 0.09 0.00 -0.55 0.00 0.00 41.25 40.63 1sds s ASN 98 CO 0.62 -0.37 1.13 -1.61 -2.79 0.00 0.00 177.10 174.07 1sds s GLU 99 N 2.14 1.82 0.13 0.43 8.01 -1.26 0.68 118.70 130.64 1sds s GLU 99 Ca 0.04 0.40 0.12 0.00 0.01 0.00 0.00 54.97 55.54 1sds s GLU 99 Cb -0.16 -1.91 -0.13 0.00 -4.31 0.00 0.00 34.13 27.62 1sds s GLU 99 CO -0.16 -1.75 1.15 0.78 0.01 0.00 0.00 175.26 175.29 1sds h GLY 100 N -1.18 0.00 -7.16 -1.39 0.00 -1.85 -3.37 103.07 88.13 1sds h GLY 100 Ca -0.48 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.41 1sds h GLY 100 CO 0.62 0.00 -0.75 -0.35 0.00 0.00 0.00 176.54 176.06 1sds s ASP 101 N -6.39 2.00 0.10 0.19 -1.08 -1.26 -5.01 116.67 105.22 1sds s ASP 101 Ca 0.00 -0.38 -0.26 0.00 -0.52 0.00 0.00 52.55 51.39 1sds s ASP 101 Cb 0.09 -0.31 -0.10 0.00 -1.46 0.00 0.00 42.92 41.13 1sds s ASP 101 CO 0.80 -0.29 1.66 0.00 0.52 0.00 0.00 175.17 177.86 1sds h ALA 102 N 8.38 -0.35 -0.41 3.66 0.00 -2.00 -2.23 119.26 126.30 1sds h ALA 102 Ca -0.15 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.80 1sds h ALA 102 Cb 1.13 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 19.15 1sds h ALA 102 CO 0.26 -0.73 -0.02 1.05 0.00 0.00 0.00 179.25 179.80 1sds h GLU 103 N -0.39 0.08 -0.54 0.00 9.09 -1.99 -1.47 114.58 119.36 1sds h GLU 103 Ca 0.02 -0.00 0.02 0.00 0.05 0.00 0.00 59.36 59.44 1sds h GLU 103 Cb 0.39 -0.02 -0.03 0.00 -1.65 0.00 0.00 28.75 27.44 1sds h GLU 103 CO -0.08 0.05 0.34 0.93 0.05 0.00 0.00 179.01 180.30 1sds h GLU 104 N 0.08 0.65 -0.05 1.06 5.08 -1.96 -1.23 114.58 118.22 1sds h GLU 104 Ca 0.20 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1sds h GLU 104 Cb 0.30 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1sds h GLU 104 CO -0.36 0.43 0.03 1.25 -1.00 0.00 0.00 179.01 179.36 1sds h LEU 105 N 0.67 0.05 -0.95 1.33 5.85 -0.85 0.54 115.31 121.95 1sds h LEU 105 Ca 0.21 0.00 0.10 0.00 0.84 0.00 0.00 57.88 59.03 1sds h LEU 105 Cb -0.02 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 40.93 1sds h LEU 105 CO -0.08 0.04 0.59 0.50 -0.34 0.00 0.00 178.44 179.15 1sds h LYS 106 N 0.06 0.95 -0.44 1.25 3.64 -1.01 0.26 116.57 121.28 1sds h LYS 106 Ca 0.02 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.23 1sds h LYS 106 Cb -0.00 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.59 1sds h LYS 106 CO -0.01 0.63 -0.17 0.28 -2.27 0.00 0.00 179.45 177.91 1sds h VAL 107 N 0.98 1.27 -0.29 2.00 2.07 -0.72 -2.41 116.25 119.15 1sds h VAL 107 Ca 0.45 -1.31 -0.11 0.00 0.82 0.00 0.00 66.70 66.55 1sds h VAL 107 Cb 0.37 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1sds h VAL 107 CO -0.24 0.45 -0.24 0.25 0.02 0.00 0.00 177.57 177.81 1sds h LEU 108 N 0.73 0.71 -1.51 2.57 5.85 -0.00 -2.35 115.31 121.30 1sds h LEU 108 Ca 0.10 -0.45 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1sds h LEU 108 Cb 0.73 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1sds h LEU 108 CO 0.06 1.01 0.33 0.40 -0.34 0.00 0.00 178.44 179.90 1sds h ILE 109 N 0.41 1.13 0.18 4.05 2.04 -0.50 -1.34 117.51 123.48 1sds h ILE 109 Ca 0.05 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1sds h ILE 109 Cb 0.79 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1sds h ILE 109 CO 0.06 0.12 -0.09 -0.33 0.00 0.00 0.00 178.15 177.92 1sds h GLU 110 N 0.67 -0.23 -1.00 2.37 5.08 -1.25 0.01 114.58 120.22 1sds h GLU 110 Ca 0.18 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.70 1sds h GLU 110 Cb -0.08 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.14 1sds h GLU 110 CO -0.04 0.05 0.63 0.87 -1.00 0.00 0.00 179.01 179.52 1sds h LYS 111 N -0.52 0.89 -0.16 2.33 1.57 -0.91 -1.85 116.57 117.94 1sds h LYS 111 Ca -0.02 -0.05 -0.18 0.00 -1.87 0.00 0.00 60.65 58.52 1sds h LYS 111 Cb 0.39 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.51 1sds h LYS 111 CO 0.04 0.59 -0.62 0.28 -0.57 0.00 0.00 179.45 179.17 1sds h VAL 112 N 0.92 1.31 0.00 0.50 2.07 -1.15 -3.05 116.25 116.85 1sds h VAL 112 Ca 0.52 -1.86 0.00 0.00 0.82 0.00 0.00 66.70 66.18 1sds h VAL 112 Cb 0.61 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1sds h VAL 112 CO -0.29 0.58 0.00 0.78 0.02 0.00 0.00 177.57 178.66 1sds h ASN 113 N 0.39 0.00 0.71 0.57 -0.26 -0.18 -1.22 115.58 115.59 1sds h ASN 113 Ca -0.03 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.59 1sds h ASN 113 Cb 1.25 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.49 1sds h ASN 113 CO 0.13 0.00 -1.37 1.33 -1.06 0.00 0.00 177.43 176.46 1sds n VAL 114 N -2.80 0.94 0.32 2.81 0.24 -0.90 -3.71 118.33 115.23 1sds n VAL 114 Ca -0.01 -0.64 0.14 0.00 -2.04 0.00 0.00 64.34 61.79 1sds n VAL 114 Cb 0.15 -0.56 0.43 0.00 -1.47 0.00 0.00 33.84 32.39 1sds n VAL 114 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1sds h LEU 115 N 0.00 0.00 -0.91 1.34 3.38 -1.12 -3.52 115.31 114.48 1sds h LEU 115 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1sds h LEU 115 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1sds h LEU 115 CO 0.03 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.85