#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kds n PRO 5 N 0.00 1.13 -0.24 0.00 -0.02 -1.26 -4.68 135.00 129.93 1kds n PRO 5 Ca 0.00 0.40 0.12 0.00 -2.02 0.00 0.00 63.50 62.00 1kds n PRO 5 Cb 0.00 -1.75 0.40 0.00 -0.02 0.00 0.00 33.50 32.12 1kds n PRO 5 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1kds h GLN 6 N 1.68 0.64 0.30 -0.52 4.15 -2.05 -1.11 115.11 118.19 1kds h GLN 6 Ca -0.39 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.99 1kds h GLN 6 Cb 1.36 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.87 1kds h GLN 6 CO 0.58 0.42 -0.41 0.37 -1.93 0.00 0.00 178.83 177.86 1kds h GLN 7 N 0.66 -0.74 -0.49 1.69 4.15 -2.00 0.50 115.11 118.88 1kds h GLN 7 Ca 0.42 0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.86 1kds h GLN 7 Cb 0.68 0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.52 1kds h GLN 7 CO -0.18 -0.49 0.20 0.82 -1.93 0.00 0.00 178.83 177.26 1kds h ILE 8 N -0.76 1.21 -0.87 2.39 2.04 -1.77 -2.27 117.51 117.47 1kds h ILE 8 Ca -0.01 -0.63 0.08 0.00 1.00 0.00 0.00 64.86 65.30 1kds h ILE 8 Cb 0.72 0.71 -0.07 0.00 -0.74 0.00 0.00 36.82 37.44 1kds h ILE 8 CO -0.13 0.24 0.52 -1.13 0.00 0.00 0.00 178.15 177.65 1kds h ASN 9 N 0.65 0.79 -0.02 1.72 -1.24 -0.98 -1.60 115.58 114.89 1kds h ASN 9 Ca 0.16 0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.20 1kds h ASN 9 Cb 0.18 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 39.10 1kds h ASN 9 CO -0.01 0.47 -0.01 0.44 -1.29 0.00 0.00 177.43 177.02 1kds h ASP 10 N 0.90 0.04 -0.69 1.15 3.45 -0.66 -2.39 116.42 118.22 1kds h ASP 10 Ca 0.40 -0.46 0.06 0.00 0.43 0.00 0.00 57.03 57.46 1kds h ASP 10 Cb 0.29 -0.01 -0.06 0.00 -0.56 0.00 0.00 39.33 38.99 1kds h ASP 10 CO -0.22 0.50 0.39 0.40 -1.57 0.00 0.00 179.24 178.74 1kds h ILE 11 N -0.41 0.97 0.79 0.35 2.04 -1.26 -0.78 117.51 119.21 1kds h ILE 11 Ca 0.00 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 1kds h ILE 11 Cb 0.48 0.20 0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1kds h ILE 11 CO 0.00 0.13 -0.38 0.58 0.00 0.00 0.00 178.15 178.49 1kds h VAL 12 N 0.71 0.15 -0.48 1.67 2.07 -1.32 -2.65 116.25 116.41 1kds h VAL 12 Ca 0.31 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.68 1kds h VAL 12 Cb 0.20 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 1kds h VAL 12 CO -0.19 0.01 0.20 0.45 0.02 0.00 0.00 177.57 178.06 1kds h HIS 13 N -1.16 0.67 0.00 1.57 -0.00 -1.35 0.46 115.15 115.34 1kds h HIS 13 Ca -0.11 -0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.20 1kds h HIS 13 Cb 0.82 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 28.02 1kds h HIS 13 CO -0.01 0.52 -0.19 0.00 -0.00 0.00 0.00 177.93 178.25 1kds h ARG 14 N 0.67 0.00 0.01 2.45 3.08 -1.13 -2.67 114.38 116.79 1kds h ARG 14 Ca 0.16 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.84 1kds h ARG 14 Cb 0.12 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.12 1kds h ARG 14 CO -0.02 0.19 -2.06 2.41 -1.07 0.00 0.00 179.97 179.42 1kds n THR 15 N -3.90 1.55 0.09 2.04 -1.04 -0.84 -4.57 114.28 107.61 1kds n THR 15 Ca -0.02 -0.33 -0.08 0.00 -2.04 0.00 0.00 64.05 61.59 1kds n THR 15 Cb 0.28 -1.85 0.01 0.00 -1.82 0.00 0.00 70.33 66.95 1kds n THR 15 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1kds h ILE 16 N -0.75 1.49 0.30 12.58 1.08 -1.01 -3.23 117.51 127.97 1kds h ILE 16 Ca -0.54 -2.55 -0.00 0.00 -0.39 0.00 0.00 64.86 61.38 1kds h ILE 16 Cb 1.60 2.40 -0.02 0.00 -3.07 0.00 0.00 36.82 37.74 1kds h ILE 16 CO -0.26 0.74 -0.27 0.74 -0.69 0.00 0.00 178.15 178.42 1kds h THR 17 N 0.11 0.44 -0.12 -0.27 2.02 -1.68 -0.15 112.91 113.25 1kds h THR 17 Ca -0.04 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 1kds h THR 17 Cb 1.44 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 1kds h THR 17 CO 0.13 0.00 -0.08 1.55 0.37 0.00 0.00 175.52 177.48 1kds h PRO 18 N -0.58 0.18 0.11 6.66 0.13 -1.81 -1.92 132.00 134.76 1kds h PRO 18 Ca -0.02 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.08 1kds h PRO 18 Cb 0.52 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.63 1kds h PRO 18 CO -0.04 0.28 -0.05 1.25 -0.23 0.00 0.00 178.00 179.21 1kds h LEU 19 N 0.17 -0.12 -1.21 1.56 5.85 -1.42 0.26 115.31 120.40 1kds h LEU 19 Ca 0.04 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1kds h LEU 19 Cb 0.26 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 1kds h LEU 19 CO 0.01 -0.06 0.54 0.40 -0.34 0.00 0.00 178.44 178.99 1kds h ILE 20 N -0.17 1.21 -0.04 4.05 2.04 -0.79 -0.46 117.51 123.35 1kds h ILE 20 Ca -0.01 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 1kds h ILE 20 Cb 0.13 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.23 1kds h ILE 20 CO 0.02 0.20 -0.03 -0.08 0.00 0.00 0.00 178.15 178.27 1kds h GLU 21 N 1.10 0.09 -0.33 2.37 4.81 -0.93 0.75 114.58 122.43 1kds h GLU 21 Ca 0.30 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.46 1kds h GLU 21 Cb -0.13 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 1kds h GLU 21 CO -0.06 0.51 0.13 1.96 -0.73 0.00 0.00 179.01 180.81 1kds h GLN 22 N -0.33 0.49 -0.00 1.92 4.20 -0.30 -3.02 115.11 118.06 1kds h GLN 22 Ca 0.01 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1kds h GLN 22 Cb 0.48 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1kds h GLN 22 CO 0.01 0.50 -0.17 1.04 -0.67 0.00 0.00 178.83 179.54 1kds n GLN 23 N -4.71 0.34 -3.56 1.46 1.13 -0.20 -4.95 117.38 106.90 1kds n GLN 23 Ca -0.02 -0.12 -0.20 0.00 -1.94 0.00 0.00 57.00 54.73 1kds n GLN 23 Cb 0.14 -1.50 0.07 0.00 0.11 0.00 0.00 30.24 29.06 1kds n GLN 23 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 1kds n LYS 24 N -1.23 -6.09 -2.76 -1.09 2.85 0.17 -4.94 118.16 105.07 1kds n LYS 24 Ca 0.10 0.75 -0.42 0.00 -1.05 0.00 0.00 58.31 57.70 1kds n LYS 24 Cb 0.31 -5.61 -0.03 0.00 -0.65 0.00 0.00 35.03 29.05 1kds n LYS 24 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1kds s ILE 25 N -3.46 4.78 0.19 0.58 1.01 -0.67 -4.96 121.20 118.66 1kds s ILE 25 Ca 0.09 1.86 -0.09 0.00 0.00 0.00 0.00 60.65 62.50 1kds s ILE 25 Cb -0.04 -4.24 0.10 0.00 0.01 0.00 0.00 42.46 38.29 1kds s ILE 25 CO 0.76 -0.07 1.70 -0.65 0.00 0.00 0.00 174.94 176.68 1kds h PRO 26 N 7.38 1.07 -3.19 2.79 0.11 -1.89 -3.46 132.00 134.82 1kds h PRO 26 Ca -0.25 -0.26 -0.13 0.00 0.11 0.00 0.00 66.00 65.47 1kds h PRO 26 Cb 1.10 -0.14 -0.21 0.00 0.11 0.00 0.00 31.00 31.86 1kds h PRO 26 CO 0.90 0.96 -0.36 0.20 -0.21 0.00 0.00 178.00 179.50 1kds s GLY 27 N -3.41 -0.10 -0.09 -0.55 0.00 -1.19 -0.57 107.32 101.42 1kds s GLY 27 Ca -0.12 0.23 -0.18 0.00 0.00 0.00 0.00 44.72 44.64 1kds s GLY 27 CO 0.84 0.05 0.44 -0.29 0.00 0.00 0.00 173.10 174.15 1kds s MET 28 N -1.19 0.69 -0.03 2.90 1.75 -0.55 -2.81 119.30 120.06 1kds s MET 28 Ca -0.12 0.25 0.03 0.00 -1.25 0.00 0.00 55.69 54.59 1kds s MET 28 Cb -0.06 0.32 0.00 0.00 2.84 0.00 0.00 34.83 37.94 1kds s MET 28 CO 0.03 -0.16 -0.12 0.00 -0.65 0.00 0.00 175.02 174.11 1kds s ALA 29 N -0.64 1.14 -0.01 4.11 0.00 0.03 -1.31 121.76 125.08 1kds s ALA 29 Ca -0.07 -0.49 0.02 0.00 0.00 0.00 0.00 51.96 51.42 1kds s ALA 29 Cb -0.03 -0.39 -0.00 0.00 0.00 0.00 0.00 23.12 22.69 1kds s ALA 29 CO 0.04 0.20 -0.05 0.08 0.00 0.00 0.00 175.76 176.03 1kds s VAL 30 N 0.11 0.41 -0.06 0.00 1.01 -0.10 -0.81 120.40 120.96 1kds s VAL 30 Ca -0.03 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.77 1kds s VAL 30 Cb -0.10 -0.36 0.01 0.00 0.00 0.00 0.00 36.38 35.94 1kds s VAL 30 CO 0.01 0.12 -0.12 0.00 0.00 0.00 0.00 175.10 175.12 1kds s ALA 31 N -0.03 1.21 -0.15 5.51 0.00 -0.53 -1.05 121.76 126.72 1kds s ALA 31 Ca 0.01 -0.39 -0.01 0.00 0.00 0.00 0.00 51.96 51.57 1kds s ALA 31 Cb -0.03 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.52 1kds s ALA 31 CO -0.00 0.11 -0.10 0.08 0.00 0.00 0.00 175.76 175.85 1kds s VAL 32 N 0.66 3.26 -0.37 0.00 1.01 -0.45 -1.28 120.40 123.23 1kds s VAL 32 Ca -0.14 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.14 1kds s VAL 32 Cb -0.16 -2.40 0.01 0.00 0.00 0.00 0.00 36.38 33.84 1kds s VAL 32 CO 0.03 0.50 0.24 -0.63 0.00 0.00 0.00 175.10 175.25 1kds s ILE 33 N 0.51 4.95 -0.19 2.22 1.09 -0.23 -1.07 121.20 128.48 1kds s ILE 33 Ca -0.07 -0.61 -0.00 0.00 -1.10 0.00 0.00 60.65 58.87 1kds s ILE 33 Cb -0.15 -3.69 0.01 0.00 -1.06 0.00 0.00 42.46 37.57 1kds s ILE 33 CO 0.04 -0.18 -0.16 -0.47 -0.10 0.00 0.00 174.94 174.07 1kds s TYR 34 N 1.64 2.85 -1.44 3.97 6.14 0.22 -1.93 117.35 128.79 1kds s TYR 34 Ca 0.04 -1.49 -0.09 0.00 0.64 0.00 0.00 57.07 56.17 1kds s TYR 34 Cb -0.18 -1.97 0.05 0.00 0.42 0.00 0.00 41.96 40.28 1kds s TYR 34 CO 0.09 -0.75 0.93 1.04 0.64 0.00 0.00 175.55 177.50 1kds n GLN 35 N 4.66 -5.69 0.00 4.97 6.02 -1.03 -1.94 117.38 124.37 1kds n GLN 35 Ca -0.20 0.64 0.00 0.00 -0.01 0.00 0.00 57.00 57.43 1kds n GLN 35 Cb 0.50 -5.46 0.00 0.00 1.02 0.00 0.00 30.24 26.30 1kds n GLN 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1kds n GLY 36 N -1.68 2.95 3.82 1.08 0.00 -1.19 -5.02 105.19 105.16 1kds n GLY 36 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 1kds n GLY 36 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1kds s LYS 37 N -0.04 3.26 0.16 1.61 2.47 -0.82 -5.02 119.74 121.37 1kds s LYS 37 Ca 0.00 -0.30 -0.05 0.00 -1.56 0.00 0.00 55.97 54.06 1kds s LYS 37 Cb 0.00 -3.02 -0.06 0.00 -1.46 0.00 0.00 37.83 33.30 1kds s LYS 37 CO 0.00 0.72 0.41 -1.25 0.16 0.00 0.00 175.35 175.38 1kds s PRO 38 N -1.32 3.64 -0.05 4.03 0.04 -1.26 -0.61 135.00 139.47 1kds s PRO 38 Ca 0.19 -0.04 0.02 0.00 0.04 0.00 0.00 61.00 61.20 1kds s PRO 38 Cb -0.12 -2.81 0.02 0.00 0.04 0.00 0.00 34.50 31.63 1kds s PRO 38 CO 0.08 0.43 -0.07 0.71 0.04 0.00 0.00 177.00 178.20 1kds s TYR 39 N -1.70 1.01 0.03 0.56 2.02 -0.23 -4.96 117.35 114.08 1kds s TYR 39 Ca 0.42 -0.33 0.02 0.00 -0.37 0.00 0.00 57.07 56.81 1kds s TYR 39 Cb -0.12 -0.81 -0.04 0.00 -0.40 0.00 0.00 41.96 40.59 1kds s TYR 39 CO 0.24 -0.22 0.02 0.71 -1.57 0.00 0.00 175.55 174.74 1kds s TYR 40 N 0.79 3.10 -0.01 2.71 1.51 -1.26 -1.34 117.35 122.85 1kds s TYR 40 Ca -0.13 0.07 0.00 0.00 -1.01 0.00 0.00 57.07 56.01 1kds s TYR 40 Cb -0.15 -1.64 0.01 0.00 -0.11 0.00 0.00 41.96 40.07 1kds s TYR 40 CO 0.02 0.49 -0.00 -0.06 -1.11 0.00 0.00 175.55 174.88 1kds s PHE 41 N -1.20 0.12 0.03 2.71 0.08 -0.21 -5.01 117.98 114.50 1kds s PHE 41 Ca 0.23 0.02 0.02 0.00 0.12 0.00 0.00 56.93 57.32 1kds s PHE 41 Cb -0.12 -0.16 -0.02 0.00 -0.57 0.00 0.00 43.02 42.15 1kds s PHE 41 CO 0.14 -0.04 -0.08 0.95 -0.10 0.00 0.00 175.22 176.09 1kds s THR 42 N 0.39 0.58 0.02 0.64 -4.23 -1.26 -0.92 115.64 110.85 1kds s THR 42 Ca -0.03 -0.79 -0.04 0.00 -1.18 0.00 0.00 61.69 59.65 1kds s THR 42 Cb -0.05 -0.58 -0.01 0.00 1.34 0.00 0.00 72.50 73.20 1kds s THR 42 CO -0.01 -0.16 0.07 0.26 -0.54 0.00 0.00 174.62 174.24 1kds s TRP 43 N -0.89 0.16 0.00 3.99 0.51 -0.43 -5.01 118.94 117.27 1kds s TRP 43 Ca -0.04 -0.37 0.00 0.00 -2.12 0.00 0.00 56.10 53.57 1kds s TRP 43 Cb -0.07 -0.12 0.00 0.00 -0.81 0.00 0.00 33.47 32.47 1kds s TRP 43 CO 0.00 -0.28 0.00 0.41 -0.51 0.00 0.00 176.95 176.58 1kds n GLY 44 N 1.30 0.77 3.58 0.98 0.00 -1.26 -1.48 105.19 109.07 1kds n GLY 44 Ca -0.22 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 1kds n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kds s TYR 45 N 0.00 2.76 -0.14 1.61 1.51 0.26 -1.89 117.35 121.47 1kds s TYR 45 Ca 0.00 -0.14 0.19 0.00 -1.01 0.00 0.00 57.07 56.10 1kds s TYR 45 Cb 0.00 -1.46 -0.26 0.00 -0.11 0.00 0.00 41.96 40.14 1kds s TYR 45 CO 0.00 0.41 0.32 0.00 -1.11 0.00 0.00 175.55 175.17 1kds n ALA 46 N 0.84 1.91 -3.48 3.71 0.00 0.71 -3.18 120.51 121.02 1kds n ALA 46 Ca -0.14 -0.98 -0.22 0.00 0.00 0.00 0.00 53.44 52.11 1kds n ALA 46 Cb 0.52 -0.48 -0.13 0.00 0.00 0.00 0.00 19.45 19.37 1kds n ALA 46 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1kds s ASP 47 N -5.30 2.18 0.26 0.00 -1.08 -1.11 -1.23 116.67 110.38 1kds s ASP 47 Ca -0.08 -0.75 -0.04 0.00 -0.52 0.00 0.00 52.55 51.16 1kds s ASP 47 Cb 0.09 0.17 0.33 0.00 -1.46 0.00 0.00 42.92 42.04 1kds s ASP 47 CO 0.85 -0.38 1.88 0.40 0.52 0.00 0.00 175.17 178.44 1kds h ILE 48 N 6.33 1.24 -0.06 4.11 2.04 -1.86 -0.55 117.51 128.75 1kds h ILE 48 Ca -0.16 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 65.06 1kds h ILE 48 Cb 1.08 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1kds h ILE 48 CO 0.35 0.27 -0.04 0.00 0.00 0.00 0.00 178.15 178.73 1kds h ALA 49 N 1.35 0.08 -0.13 1.87 0.00 -1.97 -3.07 119.26 117.39 1kds h ALA 49 Ca 0.27 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1kds h ALA 49 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1kds h ALA 49 CO -0.04 -0.15 0.00 0.36 0.00 0.00 0.00 179.25 179.42 1kds n LYS 50 N -4.77 1.46 -4.04 0.00 0.00 -1.21 -4.92 118.16 104.68 1kds n LYS 50 Ca -0.07 -0.70 -0.31 0.00 -0.00 0.00 0.00 58.31 57.23 1kds n LYS 50 Cb 0.27 -1.31 -0.00 0.00 -0.00 0.00 0.00 35.03 33.99 1kds n LYS 50 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1kds n LYS 51 N -0.05 -4.12 -3.08 -1.58 4.01 -0.35 -4.94 118.16 108.05 1kds n LYS 51 Ca 0.13 0.47 -0.40 0.00 -0.51 0.00 0.00 58.31 58.00 1kds n LYS 51 Cb 0.22 -5.14 -0.05 0.00 -0.51 0.00 0.00 35.03 29.54 1kds n LYS 51 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1kds s GLN 52 N -6.70 4.27 0.69 1.97 -1.52 -0.42 -4.98 119.66 112.96 1kds s GLN 52 Ca 0.53 0.71 -0.11 0.00 -1.95 0.00 0.00 55.36 54.54 1kds s GLN 52 Cb -0.28 -3.55 0.00 0.00 -0.22 0.00 0.00 33.01 28.96 1kds s GLN 52 CO 0.88 -0.18 1.06 -1.25 -0.25 0.00 0.00 175.29 175.55 1kds s PRO 53 N 1.70 3.02 0.04 2.91 0.04 -1.26 -0.21 135.00 141.24 1kds s PRO 53 Ca 0.31 0.81 -0.27 0.00 0.04 0.00 0.00 61.00 61.89 1kds s PRO 53 Cb -0.16 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 1kds s PRO 53 CO 0.12 -1.01 0.85 0.08 0.04 0.00 0.00 177.00 177.08 1kds s VAL 54 N -3.13 4.73 0.30 -0.36 1.01 -0.79 -4.32 120.40 117.84 1kds s VAL 54 Ca 0.57 1.81 0.03 0.00 0.00 0.00 0.00 61.98 64.40 1kds s VAL 54 Cb -0.13 -4.20 -0.01 0.00 0.00 0.00 0.00 36.38 32.04 1kds s VAL 54 CO 0.54 0.30 0.12 0.35 0.00 0.00 0.00 175.10 176.42 1kds n THR 55 N 3.11 0.00 1.30 3.92 -2.24 -1.26 -4.66 114.28 114.44 1kds n THR 55 Ca 0.01 -1.78 0.11 0.00 -2.27 0.00 0.00 64.05 60.12 1kds n THR 55 Cb 0.50 0.67 0.64 0.00 -2.10 0.00 0.00 70.33 70.04 1kds n THR 55 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kds n GLN 56 N -0.66 0.56 0.00 -0.78 6.02 -1.26 -2.67 117.38 118.58 1kds n GLN 56 Ca -0.03 0.03 0.07 0.00 -0.01 0.00 0.00 57.00 57.06 1kds n GLN 56 Cb 0.46 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 30.21 1kds n GLN 56 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1kds n GLN 57 N -1.12 1.83 -2.05 -1.09 3.00 -1.26 -4.07 117.38 112.62 1kds n GLN 57 Ca 0.15 -0.73 -0.41 0.00 -0.01 0.00 0.00 57.00 56.00 1kds n GLN 57 Cb 0.12 -1.20 -0.02 0.00 0.00 0.00 0.00 30.24 29.15 1kds n GLN 57 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1kds s THR 58 N -1.68 2.59 -0.14 5.09 2.01 -1.09 -4.86 115.64 117.55 1kds s THR 58 Ca 0.11 0.58 -0.10 0.00 0.31 0.00 0.00 61.69 62.59 1kds s THR 58 Cb 0.11 -3.37 -0.05 0.00 0.01 0.00 0.00 72.50 69.20 1kds s THR 58 CO 0.34 0.14 0.21 -0.76 -0.69 0.00 0.00 174.62 173.86 1kds s LEU 59 N -1.73 4.31 0.11 4.42 1.43 0.77 -4.14 118.68 123.86 1kds s LEU 59 Ca 0.50 0.47 0.10 0.00 -1.03 0.00 0.00 54.13 54.17 1kds s LEU 59 Cb -0.41 -2.21 -0.04 0.00 0.03 0.00 0.00 46.19 43.56 1kds s LEU 59 CO 0.54 0.26 -0.25 -0.36 0.23 0.00 0.00 176.35 176.77 1kds s PHE 60 N -0.27 2.17 -0.00 0.29 0.40 0.63 -1.97 117.98 119.23 1kds s PHE 60 Ca 0.14 -0.39 -0.30 0.00 -0.60 0.00 0.00 56.93 55.78 1kds s PHE 60 Cb -0.12 -1.20 -0.04 0.00 0.51 0.00 0.00 43.02 42.17 1kds s PHE 60 CO 0.03 0.27 1.07 -1.21 0.70 0.00 0.00 175.22 176.09 1kds s GLU 61 N -1.89 4.48 0.17 0.44 2.02 -1.26 -1.56 118.70 121.10 1kds s GLU 61 Ca 0.12 1.54 0.25 0.00 0.02 0.00 0.00 54.97 56.89 1kds s GLU 61 Cb -0.10 -3.45 0.47 0.00 0.10 0.00 0.00 34.13 31.15 1kds s GLU 61 CO 0.05 -0.18 1.46 -0.07 0.02 0.00 0.00 175.26 176.54 1kds h LEU 62 N 7.10 0.00 0.00 1.80 3.38 -1.59 -3.44 115.31 122.56 1kds h LEU 62 Ca -0.39 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1kds h LEU 62 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1kds h LEU 62 CO 0.79 0.06 0.00 0.61 0.09 0.00 0.00 178.44 180.00 1kds n GLY 63 N 1.31 2.78 0.00 0.83 0.00 -1.25 -1.81 105.19 107.04 1kds n GLY 63 Ca 0.04 -0.34 0.04 0.00 0.00 0.00 0.00 46.02 45.76 1kds n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1kds n SER 64 N 0.72 0.00 0.25 1.61 7.64 -1.26 -1.36 113.62 121.22 1kds n SER 64 Ca 0.00 0.01 0.17 0.00 1.01 0.00 0.00 58.87 60.06 1kds n SER 64 Cb 0.00 -0.19 0.77 0.00 -1.01 0.00 0.00 64.21 63.79 1kds n SER 64 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1kds h VAL 65 N 0.00 0.00 -0.13 0.44 2.07 -1.47 -1.67 116.25 115.49 1kds h VAL 65 Ca 0.00 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1kds h VAL 65 Cb 0.05 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1kds h VAL 65 CO 0.00 0.00 0.09 0.28 0.02 0.00 0.00 177.57 177.96 1kds h SER 66 N 0.00 0.14 -0.07 0.57 0.02 -1.40 -2.26 113.55 110.54 1kds h SER 66 Ca 0.00 -0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1kds h SER 66 Cb 0.30 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 1kds h SER 66 CO 0.00 0.10 0.07 0.11 -1.14 0.00 0.00 176.83 175.97 1kds h LYS 67 N 0.16 0.00 -0.14 3.45 1.57 -1.47 0.38 116.57 120.52 1kds h LYS 67 Ca 0.05 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.71 1kds h LYS 67 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1kds h LYS 67 CO -0.01 0.00 -0.43 1.79 -0.57 0.00 0.00 179.45 180.23 1kds h THR 68 N 0.00 1.32 -0.18 -0.16 1.35 -1.59 0.54 112.91 114.19 1kds h THR 68 Ca 0.04 -1.59 -0.08 0.00 -0.55 0.00 0.00 66.41 64.23 1kds h THR 68 Cb 0.18 1.69 -0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1kds h THR 68 CO -0.00 0.48 -0.19 -0.26 -0.25 0.00 0.00 175.52 175.30 1kds h PHE 69 N 0.27 0.53 -0.84 4.73 0.04 -1.09 -2.22 116.94 118.37 1kds h PHE 69 Ca 0.02 -0.16 -0.03 0.00 2.80 0.00 0.00 57.97 60.60 1kds h PHE 69 Cb 0.87 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.87 1kds h PHE 69 CO 0.02 0.82 0.41 1.15 -0.60 0.00 0.00 178.31 180.10 1kds h THR 70 N 0.10 1.26 -0.69 -1.55 2.02 -1.12 0.55 112.91 113.48 1kds h THR 70 Ca 0.03 -0.72 -0.07 0.00 0.77 0.00 0.00 66.41 66.42 1kds h THR 70 Cb 0.73 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 1kds h THR 70 CO 0.05 0.31 0.14 1.23 0.37 0.00 0.00 175.52 177.61 1kds h GLY 71 N 1.21 1.20 1.35 2.16 0.00 -0.82 -0.75 103.07 107.41 1kds h GLY 71 Ca 0.29 -0.77 -0.18 0.00 0.00 0.00 0.00 47.33 46.67 1kds h GLY 71 CO -0.04 0.72 -0.61 -2.08 0.00 0.00 0.00 176.54 174.53 1kds h VAL 72 N 1.05 1.31 -0.56 4.60 2.07 -1.05 0.16 116.25 123.82 1kds h VAL 72 Ca 0.21 -1.85 -0.03 0.00 0.82 0.00 0.00 66.70 65.85 1kds h VAL 72 Cb 0.40 1.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 1kds h VAL 72 CO 0.01 0.58 0.24 0.25 0.02 0.00 0.00 177.57 178.67 1kds h LEU 73 N 0.50 0.76 -0.72 2.57 5.85 -0.71 0.18 115.31 123.73 1kds h LEU 73 Ca -0.01 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 1kds h LEU 73 Cb 1.19 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 1kds h LEU 73 CO 0.12 0.71 0.35 1.23 -0.34 0.00 0.00 178.44 180.51 1kds h GLY 74 N 0.77 1.12 1.66 3.75 0.00 -0.96 -1.28 103.07 108.12 1kds h GLY 74 Ca 0.19 -0.56 -0.05 0.00 0.00 0.00 0.00 47.33 46.91 1kds h GLY 74 CO -0.02 0.53 -0.04 -1.33 0.00 0.00 0.00 176.54 175.68 1kds h GLY 75 N 1.02 0.46 1.27 4.60 0.00 0.09 -2.23 103.07 108.26 1kds h GLY 75 Ca 0.25 -0.27 -0.16 0.00 0.00 0.00 0.00 47.33 47.15 1kds h GLY 75 CO -0.03 0.25 -0.47 -1.80 0.00 0.00 0.00 176.54 174.49 1kds h ASP 76 N 0.41 0.85 0.10 0.19 3.58 -0.03 -2.13 116.42 119.40 1kds h ASP 76 Ca 0.09 -0.42 -0.05 0.00 0.42 0.00 0.00 57.03 57.07 1kds h ASP 76 Cb 0.34 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 1kds h ASP 76 CO 0.01 1.18 -0.17 0.00 -2.88 0.00 0.00 179.24 177.39 1kds h ALA 77 N 0.84 1.55 -0.14 -0.78 0.00 -0.81 -0.53 119.26 119.39 1kds h ALA 77 Ca 0.03 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1kds h ALA 77 Cb 1.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1kds h ALA 77 CO 0.10 0.32 -0.35 0.82 0.00 0.00 0.00 179.25 180.15 1kds h ILE 78 N 0.14 1.36 -0.11 0.00 2.04 -1.27 -0.87 117.51 118.81 1kds h ILE 78 Ca 0.03 -1.63 -0.02 0.00 1.00 0.00 0.00 64.86 64.24 1kds h ILE 78 Cb 0.39 2.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 1kds h ILE 78 CO 0.03 0.49 -0.01 0.00 0.00 0.00 0.00 178.15 178.65 1kds h ALA 79 N 0.54 1.78 0.00 1.87 0.00 -0.77 0.19 119.26 122.87 1kds h ALA 79 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1kds h ALA 79 Cb 0.96 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1kds h ALA 79 CO 0.08 0.17 0.00 0.54 0.00 0.00 0.00 179.25 180.03 1kds n ARG 80 N -4.43 0.06 -1.02 0.00 1.74 -0.26 -4.89 116.66 107.85 1kds n ARG 80 Ca -0.01 0.11 -0.01 0.00 -0.77 0.00 0.00 57.85 57.17 1kds n ARG 80 Cb 0.15 -1.58 -0.00 0.00 -1.02 0.00 0.00 32.46 30.01 1kds n ARG 80 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1kds n GLY 81 N 1.08 0.48 0.10 -0.13 0.00 0.05 -4.92 105.19 101.85 1kds n GLY 81 Ca 0.06 -0.58 -0.02 0.00 0.00 0.00 0.00 46.02 45.48 1kds n GLY 81 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1kds h GLU 82 N 0.41 0.00 -4.09 1.61 5.08 -1.37 -3.47 114.58 112.74 1kds h GLU 82 Ca -0.02 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.21 1kds h GLU 82 Cb 0.08 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.20 1kds h GLU 82 CO 0.02 0.65 -0.44 0.96 -1.00 0.00 0.00 179.01 179.21 1kds s ILE 83 N -2.85 0.07 -0.00 3.13 -4.36 -1.18 -4.84 121.20 111.17 1kds s ILE 83 Ca 0.02 -1.60 0.03 0.00 -0.26 0.00 0.00 60.65 58.84 1kds s ILE 83 Cb 0.09 -1.96 -0.01 0.00 1.25 0.00 0.00 42.46 41.82 1kds s ILE 83 CO 0.78 -0.32 -0.10 -0.54 0.24 0.00 0.00 174.94 175.00 1kds s LYS 84 N -4.01 0.83 0.38 0.37 3.01 -1.26 -4.35 119.74 114.71 1kds s LYS 84 Ca 0.21 -0.41 0.27 0.00 -1.01 0.00 0.00 55.97 55.04 1kds s LYS 84 Cb 0.05 -0.80 0.96 0.00 -1.01 0.00 0.00 37.83 37.03 1kds s LYS 84 CO 0.02 0.22 1.79 -0.07 0.51 0.00 0.00 175.35 177.82 1kds h LEU 85 N 5.78 0.00 -0.33 3.17 3.38 -1.99 -2.64 115.31 122.68 1kds h LEU 85 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1kds h LEU 85 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1kds h LEU 85 CO 0.49 0.00 -0.08 -1.54 0.09 0.00 0.00 178.44 177.40 1kds n SER 86 N -2.67 0.59 -4.78 -0.43 3.41 -1.26 -1.88 113.62 106.60 1kds n SER 86 Ca 0.03 -0.81 -0.37 0.00 -0.26 0.00 0.00 58.87 57.45 1kds n SER 86 Cb 0.35 -0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 64.20 1kds n SER 86 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1kds s ASP 87 N -2.32 7.24 0.49 4.04 -0.00 -1.00 -4.88 116.67 120.24 1kds s ASP 87 Ca 0.33 1.88 -0.21 0.00 -0.00 0.00 0.00 52.55 54.56 1kds s ASP 87 Cb 0.20 -2.58 -0.07 0.00 -0.00 0.00 0.00 42.92 40.47 1kds s ASP 87 CO 0.44 -0.14 1.10 -2.16 -0.00 0.00 0.00 175.17 174.41 1kds s PRO 88 N -2.12 3.68 0.44 8.23 0.04 -1.26 -1.78 135.00 142.22 1kds s PRO 88 Ca 0.51 1.57 0.12 0.00 0.04 0.00 0.00 61.00 63.24 1kds s PRO 88 Cb -0.20 -2.20 1.00 0.00 0.04 0.00 0.00 34.50 33.14 1kds s PRO 88 CO 0.25 -0.57 2.03 1.15 0.04 0.00 0.00 177.00 179.90 1kds h THR 89 N 1.59 0.98 0.00 1.26 2.02 -1.36 -1.70 112.91 115.71 1kds h THR 89 Ca -0.49 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 66.54 1kds h THR 89 Cb 1.24 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1kds h THR 89 CO 0.59 0.08 0.00 0.71 0.37 0.00 0.00 175.52 177.27 1kds h THR 90 N 0.42 0.00 0.00 3.16 1.35 -1.83 -1.84 112.91 114.17 1kds h THR 90 Ca 0.20 -0.17 -0.02 0.00 -0.55 0.00 0.00 66.41 65.87 1kds h THR 90 Cb 0.26 0.87 -0.00 0.00 -1.73 0.00 0.00 68.15 67.55 1kds h THR 90 CO -0.05 0.00 -0.10 0.50 -0.25 0.00 0.00 175.52 175.62 1kds h LYS 91 N 0.00 0.00 -0.00 4.72 3.64 -1.68 -2.62 116.57 120.63 1kds h LYS 91 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1kds h LYS 91 Cb 0.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1kds h LYS 91 CO 0.00 0.10 -0.33 0.66 -2.27 0.00 0.00 179.45 177.61 1kds n TYR 92 N -3.29 0.00 -3.11 1.91 4.02 -0.72 -4.70 117.16 111.27 1kds n TYR 92 Ca -0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.69 1kds n TYR 92 Cb 0.33 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.60 1kds n TYR 92 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 176.86 177.72 1kds n TRP 93 N -0.77 -1.32 -0.30 -0.72 -0.00 -1.02 -5.00 117.44 108.32 1kds n TRP 93 Ca 0.03 -3.00 0.33 0.00 -0.00 0.00 0.00 57.50 54.86 1kds n TRP 93 Cb 0.18 0.28 0.71 0.00 -0.00 0.00 0.00 31.31 32.48 1kds n TRP 93 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 1kds h PRO 94 N 4.35 0.05 0.00 5.87 0.13 -1.75 0.12 132.00 140.77 1kds h PRO 94 Ca 0.06 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1kds h PRO 94 Cb 0.93 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1kds h PRO 94 CO 0.39 0.04 0.00 0.39 -0.23 0.00 0.00 178.00 178.58 1kds n GLU 95 N -4.26 0.07 -2.60 0.86 4.71 -1.26 -4.14 120.64 114.03 1kds n GLU 95 Ca 0.24 0.25 -0.43 0.00 -0.01 0.00 0.00 57.16 57.22 1kds n GLU 95 Cb 1.15 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 30.08 1kds n GLU 95 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1kds n LEU 96 N -1.40 5.03 0.06 -4.62 7.94 0.42 -4.70 117.00 119.72 1kds n LEU 96 Ca 0.04 -3.99 -0.10 0.00 -1.11 0.00 0.00 56.01 50.85 1kds n LEU 96 Cb 0.11 -1.73 -0.13 0.00 0.53 0.00 0.00 43.42 42.20 1kds n LEU 96 CO 0.09 0.25 -0.01 0.71 -1.11 0.00 0.00 177.39 177.32 1kds h THR 97 N 5.41 1.53 -1.21 1.96 1.35 -1.86 -3.46 112.91 116.63 1kds h THR 97 Ca 0.44 -3.22 -0.76 0.00 -0.55 0.00 0.00 66.41 62.31 1kds h THR 97 Cb 0.86 2.82 0.05 0.00 -1.73 0.00 0.00 68.15 70.15 1kds h THR 97 CO 1.45 0.90 0.25 0.00 -0.25 0.00 0.00 175.52 177.87 1kds n ALA 98 N -2.44 -2.58 0.29 6.62 0.00 -1.26 -4.81 120.51 116.33 1kds n ALA 98 Ca -0.05 0.56 0.15 0.00 0.00 0.00 0.00 53.44 54.10 1kds n ALA 98 Cb 0.98 -1.88 0.89 0.00 0.00 0.00 0.00 19.45 19.43 1kds n ALA 98 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1kds h LYS 99 N 3.76 0.00 0.00 0.00 6.56 -1.94 -2.11 116.57 122.84 1kds h LYS 99 Ca -0.49 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.10 1kds h LYS 99 Cb 1.39 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.05 1kds h LYS 99 CO 0.72 0.03 0.00 -0.56 -2.06 0.00 0.00 179.45 177.58 1kds h GLN 100 N 0.00 0.00 -0.00 3.15 -0.00 -1.95 -1.23 115.11 115.08 1kds h GLN 100 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1kds h GLN 100 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.55 1kds h GLN 100 CO 0.00 0.00 -0.04 0.91 -0.00 0.00 0.00 178.83 179.71 1kds n TRP 101 N -2.47 0.00 0.00 0.06 7.02 -0.79 -4.61 117.44 116.66 1kds n TRP 101 Ca -0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1kds n TRP 101 Cb 0.14 -0.09 0.00 0.00 -2.42 0.00 0.00 31.31 28.94 1kds n TRP 101 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1kds n ASN 102 N -0.80 0.00 -2.15 -0.99 2.85 -0.46 -2.71 115.26 111.00 1kds n ASN 102 Ca 0.19 0.22 -0.26 0.00 -0.11 0.00 0.00 54.58 54.61 1kds n ASN 102 Cb 0.22 0.00 0.10 0.00 1.24 0.00 0.00 39.78 41.34 1kds n ASN 102 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1kds n GLY 103 N -0.57 4.94 3.47 8.20 0.00 -1.26 -4.85 105.19 115.11 1kds n GLY 103 Ca 0.00 -1.61 -0.43 0.00 0.00 0.00 0.00 46.02 43.99 1kds n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kds s ILE 104 N -3.65 5.23 0.53 -0.61 1.01 -1.10 -4.88 121.20 117.74 1kds s ILE 104 Ca 0.53 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.65 1kds s ILE 104 Cb 0.42 -3.92 0.03 0.00 0.01 0.00 0.00 42.46 39.00 1kds s ILE 104 CO 0.03 -0.29 0.75 0.42 0.00 0.00 0.00 174.94 175.85 1kds s THR 105 N 1.76 2.82 0.48 2.92 -4.23 -1.26 -1.01 115.64 117.12 1kds s THR 105 Ca 0.06 -0.67 0.13 0.00 -1.18 0.00 0.00 61.69 60.04 1kds s THR 105 Cb -0.18 -3.05 0.26 0.00 1.34 0.00 0.00 72.50 70.87 1kds s THR 105 CO 0.11 -0.03 2.11 -0.07 -0.54 0.00 0.00 174.62 176.20 1kds h LEU 106 N 0.13 0.13 -0.33 4.79 3.38 -1.34 -1.77 115.31 120.31 1kds h LEU 106 Ca -0.42 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 1kds h LEU 106 Cb 1.29 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 1kds h LEU 106 CO 0.52 0.11 0.17 0.25 0.09 0.00 0.00 178.44 179.58 1kds h LEU 107 N 0.16 0.42 -0.85 1.67 5.85 -1.66 -0.19 115.31 120.71 1kds h LEU 107 Ca 0.04 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.70 1kds h LEU 107 Cb 0.00 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 1kds h LEU 107 CO -0.01 0.40 0.54 0.45 -0.34 0.00 0.00 178.44 179.49 1kds h HIS 108 N 0.40 1.01 0.13 1.25 3.86 -1.63 -1.25 115.15 118.92 1kds h HIS 108 Ca 0.11 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.34 1kds h HIS 108 Cb 0.09 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.22 1kds h HIS 108 CO -0.02 0.57 -0.06 -0.07 0.86 0.00 0.00 177.93 179.20 1kds h LEU 109 N 1.04 -0.15 -1.98 2.43 3.38 -1.00 -1.11 115.31 117.93 1kds h LEU 109 Ca 0.34 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1kds h LEU 109 Cb 0.04 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1kds h LEU 109 CO -0.13 0.06 -0.09 0.00 0.09 0.00 0.00 178.44 178.38 1kds h ALA 110 N 0.49 1.62 -0.41 1.53 0.00 -0.81 -3.00 119.26 118.68 1kds h ALA 110 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1kds h ALA 110 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1kds h ALA 110 CO 0.03 0.11 0.00 0.25 0.00 0.00 0.00 179.25 179.64 1kds n THR 111 N -4.10 1.38 -1.34 0.00 -2.24 -0.49 -4.49 114.28 103.00 1kds n THR 111 Ca -0.03 -1.21 -0.12 0.00 -2.27 0.00 0.00 64.05 60.43 1kds n THR 111 Cb 0.17 0.29 -0.05 0.00 -2.10 0.00 0.00 70.33 68.65 1kds n THR 111 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1kds n TYR 112 N 0.50 0.00 -1.21 4.78 4.02 -0.92 -4.84 117.16 119.50 1kds n TYR 112 Ca 0.17 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 58.03 1kds n TYR 112 Cb 0.61 -2.25 0.24 0.00 -0.02 0.00 0.00 39.34 37.91 1kds n TYR 112 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1kds n THR 113 N -2.59 2.61 0.22 -0.72 -2.24 -0.47 -2.04 114.28 109.06 1kds n THR 113 Ca -0.12 -2.17 0.10 0.00 -2.27 0.00 0.00 64.05 59.59 1kds n THR 113 Cb 0.42 -0.32 0.49 0.00 -2.10 0.00 0.00 70.33 68.81 1kds n THR 113 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kds h ALA 114 N 1.58 1.06 0.00 6.98 0.00 -1.79 0.28 119.26 127.37 1kds h ALA 114 Ca 0.20 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1kds h ALA 114 Cb 1.85 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.60 1kds h ALA 114 CO 0.48 0.29 0.00 0.41 0.00 0.00 0.00 179.25 180.42 1kds n GLY 115 N 0.02 1.42 0.00 0.00 0.00 -1.26 -4.08 105.19 101.30 1kds n GLY 115 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1kds n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kds n GLY 116 N 0.00 1.28 3.71 -0.02 0.00 -1.26 -0.47 105.19 108.44 1kds n GLY 116 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1kds n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1kds n LEU 117 N 0.00 3.81 -4.75 0.99 4.77 -1.26 -4.82 117.00 115.74 1kds n LEU 117 Ca 0.00 1.19 -0.37 0.00 -0.03 0.00 0.00 56.01 56.80 1kds n LEU 117 Cb 0.00 -1.51 0.05 0.00 -2.33 0.00 0.00 43.42 39.62 1kds n LEU 117 CO 0.00 -0.28 0.91 -2.16 -1.33 0.00 0.00 177.39 174.53 1kds s PRO 118 N -1.49 2.93 0.28 3.23 0.04 -1.26 -4.77 135.00 133.96 1kds s PRO 118 Ca 0.58 2.05 -0.03 0.00 0.04 0.00 0.00 61.00 63.64 1kds s PRO 118 Cb -0.56 -2.04 0.38 0.00 0.04 0.00 0.00 34.50 32.33 1kds s PRO 118 CO 0.59 -1.30 1.94 1.25 0.04 0.00 0.00 177.00 179.51 1kds h LEU 119 N 1.03 1.03 -8.71 -3.56 5.85 -1.91 -3.24 115.31 105.81 1kds h LEU 119 Ca -0.51 -0.02 -0.64 0.00 0.84 0.00 0.00 57.88 57.55 1kds h LEU 119 Cb 1.31 -0.25 -0.25 0.00 0.37 0.00 0.00 40.66 41.84 1kds h LEU 119 CO 0.55 0.73 -0.86 -1.10 -0.34 0.00 0.00 178.44 177.42 1kds s GLN 120 N -6.01 1.52 -0.04 1.25 -0.21 -1.26 -0.62 119.66 114.29 1kds s GLN 120 Ca -0.12 -1.12 -0.25 0.00 0.02 0.00 0.00 55.36 53.89 1kds s GLN 120 Cb 0.18 -1.75 -0.04 0.00 1.00 0.00 0.00 33.01 32.40 1kds s GLN 120 CO 0.81 0.44 0.76 0.08 -2.12 0.00 0.00 175.29 175.26 1kds s VAL 121 N -0.90 4.97 0.32 1.09 1.01 -1.26 -4.85 120.40 120.78 1kds s VAL 121 Ca 0.10 1.58 -0.28 0.00 0.00 0.00 0.00 61.98 63.39 1kds s VAL 121 Cb -0.10 -4.10 -0.13 0.00 0.00 0.00 0.00 36.38 32.05 1kds s VAL 121 CO 0.03 0.25 1.12 -2.65 0.00 0.00 0.00 175.10 173.85 1kds n PRO 122 N 3.66 1.65 0.31 2.72 -0.02 -1.26 -4.83 135.00 137.22 1kds n PRO 122 Ca -0.00 0.58 0.17 0.00 -2.02 0.00 0.00 63.50 62.23 1kds n PRO 122 Cb 0.51 -2.05 1.00 0.00 -0.02 0.00 0.00 33.50 32.94 1kds n PRO 122 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1kds h ASP 123 N 2.16 0.00 0.76 2.55 -0.00 -2.01 -0.77 116.42 119.12 1kds h ASP 123 Ca -0.42 0.00 -0.03 0.00 -0.00 0.00 0.00 57.03 56.57 1kds h ASP 123 Cb 1.32 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 40.64 1kds h ASP 123 CO 0.61 0.00 -0.16 1.05 -0.00 0.00 0.00 179.24 180.74 1kds h GLU 124 N 0.00 0.00 -6.37 4.15 9.09 -2.04 -3.41 114.58 116.01 1kds h GLU 124 Ca 0.00 0.00 -0.54 0.00 0.05 0.00 0.00 59.36 58.87 1kds h GLU 124 Cb 0.03 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.06 1kds h GLU 124 CO -0.00 0.16 1.10 0.08 0.05 0.00 0.00 179.01 180.40 1kds s VAL 125 N -3.81 3.75 -0.01 -1.06 1.01 -0.30 -4.78 120.40 115.20 1kds s VAL 125 Ca -0.00 0.58 0.03 0.00 0.00 0.00 0.00 61.98 62.59 1kds s VAL 125 Cb 0.11 -4.54 -0.05 0.00 0.00 0.00 0.00 36.38 31.90 1kds s VAL 125 CO 0.60 -1.34 0.06 0.29 0.00 0.00 0.00 175.10 174.72 1kds n LYS 126 N 8.88 0.83 -3.72 2.72 5.02 -1.26 -4.42 118.16 126.21 1kds n LYS 126 Ca 0.10 -0.03 -0.23 0.00 -2.02 0.00 0.00 58.31 56.14 1kds n LYS 126 Cb 0.49 -1.09 -0.03 0.00 -0.02 0.00 0.00 35.03 34.39 1kds n LYS 126 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1kds s SER 127 N -2.63 4.84 0.30 4.39 0.01 -1.26 -4.98 113.70 114.37 1kds s SER 127 Ca -0.01 -0.93 0.10 0.00 1.31 0.00 0.00 55.95 56.43 1kds s SER 127 Cb 0.02 -0.29 0.46 0.00 0.21 0.00 0.00 66.02 66.41 1kds s SER 127 CO 0.15 -0.76 1.67 0.28 0.41 0.00 0.00 173.24 174.99 1kds h SER 128 N 1.00 0.03 0.05 2.44 0.02 -1.99 -0.87 113.55 114.24 1kds h SER 128 Ca -0.40 -0.02 -0.18 0.00 -0.84 0.00 0.00 61.79 60.35 1kds h SER 128 Cb 1.27 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.80 1kds h SER 128 CO 0.59 0.56 -0.66 0.77 -1.14 0.00 0.00 176.83 176.95 1kds h SER 129 N 0.02 0.67 -0.68 3.07 4.64 -1.99 -1.75 113.55 117.52 1kds h SER 129 Ca -0.00 -0.40 -0.07 0.00 -0.47 0.00 0.00 61.79 60.85 1kds h SER 129 Cb 0.96 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.83 1kds h SER 129 CO 0.07 1.15 0.16 0.44 -0.87 0.00 0.00 176.83 177.78 1kds h ASP 130 N 0.42 1.03 -0.28 4.97 3.45 -1.82 -1.49 116.42 122.69 1kds h ASP 130 Ca -0.02 -0.23 -0.02 0.00 0.43 0.00 0.00 57.03 57.18 1kds h ASP 130 Cb 1.24 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 39.73 1kds h ASP 130 CO 0.12 0.99 0.08 0.25 -1.57 0.00 0.00 179.24 179.12 1kds h LEU 131 N 1.01 0.42 -0.27 1.55 5.85 -1.05 -0.84 115.31 121.97 1kds h LEU 131 Ca 0.21 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1kds h LEU 131 Cb 0.37 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1kds h LEU 131 CO 0.00 0.52 0.18 0.25 -0.34 0.00 0.00 178.44 179.05 1kds h LEU 132 N 0.29 0.32 -0.59 2.25 5.85 -1.14 -1.91 115.31 120.38 1kds h LEU 132 Ca 0.09 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.82 1kds h LEU 132 Cb 0.26 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1kds h LEU 132 CO -0.00 0.24 0.36 0.03 -0.34 0.00 0.00 178.44 178.73 1kds h ARG 133 N 0.37 0.69 -0.25 1.25 3.08 -1.17 0.47 114.38 118.81 1kds h ARG 133 Ca 0.10 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.15 1kds h ARG 133 Cb -0.03 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 29.82 1kds h ARG 133 CO -0.02 0.45 -0.03 0.35 -1.07 0.00 0.00 179.97 179.66 1kds h PHE 134 N 0.71 -0.07 -0.09 3.04 3.57 -0.76 -0.66 116.94 122.68 1kds h PHE 134 Ca 0.24 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.61 1kds h PHE 134 Cb 0.03 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1kds h PHE 134 CO -0.06 -0.07 -0.61 1.88 -2.23 0.00 0.00 178.31 177.22 1kds h TYR 135 N 0.04 0.41 -0.43 0.41 0.05 -1.10 -2.44 116.97 113.91 1kds h TYR 135 Ca 0.12 -0.16 -0.11 0.00 0.05 0.00 0.00 58.73 58.63 1kds h TYR 135 Cb 0.17 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 37.82 1kds h TYR 135 CO -0.22 0.85 -0.18 1.96 -1.05 0.00 0.00 178.16 179.52 1kds h GLN 136 N 0.24 0.83 -0.00 4.88 1.08 -0.61 -3.09 115.11 118.44 1kds h GLN 136 Ca -0.01 -0.32 0.00 0.00 -1.45 0.00 0.00 58.65 56.88 1kds h GLN 136 Cb 1.13 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.51 1kds h GLN 136 CO 0.10 0.94 -0.36 0.09 -0.95 0.00 0.00 178.83 178.66 1kds n ASN 137 N -4.13 0.49 -4.71 1.46 3.02 -0.28 -4.82 115.26 106.29 1kds n ASN 137 Ca 0.01 -0.24 -0.42 0.00 -0.03 0.00 0.00 54.58 53.90 1kds n ASN 137 Cb 0.41 0.09 -0.03 0.00 -0.61 0.00 0.00 39.78 39.64 1kds n ASN 137 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1kds s TRP 138 N -2.89 3.04 -0.35 3.10 -0.00 -0.92 -4.99 118.94 115.92 1kds s TRP 138 Ca 0.15 0.66 -0.09 0.00 -0.00 0.00 0.00 56.10 56.82 1kds s TRP 138 Cb 0.18 -3.88 0.02 0.00 -0.00 0.00 0.00 33.47 29.79 1kds s TRP 138 CO 0.63 -3.26 0.16 1.14 -0.00 0.00 0.00 176.95 175.62 1kds s GLN 139 N 1.28 2.86 0.57 5.86 -2.07 -1.26 -5.01 119.66 121.90 1kds s GLN 139 Ca 0.69 -1.04 -0.20 0.00 -1.82 0.00 0.00 55.36 52.99 1kds s GLN 139 Cb -0.42 -3.60 -0.04 0.00 -1.09 0.00 0.00 33.01 27.85 1kds s GLN 139 CO 0.31 -0.63 1.26 -0.35 -1.32 0.00 0.00 175.29 174.56 1kds n PRO 140 N 4.93 1.41 -0.04 9.60 -0.04 -1.26 -4.93 135.00 144.67 1kds n PRO 140 Ca -0.12 0.53 -0.07 0.00 -0.04 0.00 0.00 63.50 63.79 1kds n PRO 140 Cb 0.46 -2.47 -0.14 0.00 -0.04 0.00 0.00 33.50 31.32 1kds n PRO 140 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1kds n ALA 141 N -1.32 1.58 -2.19 0.55 0.00 0.39 -4.99 120.51 114.53 1kds n ALA 141 Ca 0.12 -0.91 -0.12 0.00 0.00 0.00 0.00 53.44 52.54 1kds n ALA 141 Cb 0.45 -0.65 -0.10 0.00 0.00 0.00 0.00 19.45 19.15 1kds n ALA 141 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1kds s TRP 142 N -2.63 1.04 0.66 0.00 0.51 -1.10 -5.05 118.94 112.38 1kds s TRP 142 Ca -0.06 -1.17 -0.15 0.00 -2.12 0.00 0.00 56.10 52.60 1kds s TRP 142 Cb 0.08 -0.59 -0.00 0.00 -0.81 0.00 0.00 33.47 32.15 1kds s TRP 142 CO 0.83 -0.41 1.10 0.00 -0.51 0.00 0.00 176.95 177.96 1kds s ALA 143 N -3.90 2.49 0.69 0.98 0.00 -1.26 -4.41 121.76 116.34 1kds s ALA 143 Ca 0.26 0.52 -0.16 0.00 0.00 0.00 0.00 51.96 52.58 1kds s ALA 143 Cb 0.07 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.90 1kds s ALA 143 CO 0.04 -1.26 1.22 -2.14 0.00 0.00 0.00 175.76 173.63 1kds s PRO 144 N -4.14 2.34 -1.64 0.00 0.02 -1.26 -3.36 135.00 126.97 1kds s PRO 144 Ca 0.66 1.83 0.00 0.00 0.02 0.00 0.00 61.00 63.51 1kds s PRO 144 Cb -0.20 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.47 1kds s PRO 144 CO 0.42 -1.70 0.00 0.41 -0.33 0.00 0.00 177.00 175.80 1kds n GLY 145 N 0.51 0.51 0.00 0.52 0.00 0.10 -4.86 105.19 101.97 1kds n GLY 145 Ca 0.14 -0.17 -0.00 0.00 0.00 0.00 0.00 46.02 45.99 1kds n GLY 145 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kds n THR 146 N -3.38 0.04 -4.05 2.61 -2.24 -1.21 -4.88 114.28 101.16 1kds n THR 146 Ca -0.19 -0.02 -0.13 0.00 -2.27 0.00 0.00 64.05 61.43 1kds n THR 146 Cb 0.62 -0.93 -0.13 0.00 -2.10 0.00 0.00 70.33 67.79 1kds n THR 146 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1kds s GLN 147 N -2.01 0.39 -0.18 -0.78 2.00 -1.26 -2.00 119.66 115.82 1kds s GLN 147 Ca -0.00 -0.47 -0.06 0.00 -2.00 0.00 0.00 55.36 52.82 1kds s GLN 147 Cb 0.00 -0.22 -0.03 0.00 0.80 0.00 0.00 33.01 33.56 1kds s GLN 147 CO 0.02 0.04 0.02 0.50 -0.50 0.00 0.00 175.29 175.38 1kds s ARG 148 N -0.95 3.81 -0.31 1.67 3.52 0.73 -4.28 118.95 123.16 1kds s ARG 148 Ca -0.06 -0.43 -0.02 0.00 -0.13 0.00 0.00 55.73 55.08 1kds s ARG 148 Cb -0.06 -3.11 0.10 0.00 -1.56 0.00 0.00 34.95 30.32 1kds s ARG 148 CO -0.00 0.20 0.13 -1.17 -0.81 0.00 0.00 175.30 173.65 1kds s LEU 149 N 0.53 1.24 -0.31 -0.88 2.96 -0.86 -2.13 118.68 119.23 1kds s LEU 149 Ca 0.01 -1.52 -0.43 0.00 -0.22 0.00 0.00 54.13 51.97 1kds s LEU 149 Cb -0.13 -0.56 -0.18 0.00 0.50 0.00 0.00 46.19 45.82 1kds s LEU 149 CO 0.02 -0.42 1.55 0.00 -1.32 0.00 0.00 176.35 176.18 1kds n TYR 150 N 4.96 1.68 -3.69 5.38 4.19 -1.26 -4.82 117.16 123.60 1kds n TYR 150 Ca -0.03 0.89 -0.11 0.00 3.31 0.00 0.00 57.90 61.97 1kds n TYR 150 Cb 0.41 -2.29 -0.10 0.00 0.49 0.00 0.00 39.34 37.85 1kds n TYR 150 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1kds s ALA 151 N 2.54 -1.21 0.20 2.98 0.00 -1.26 -4.38 121.76 120.63 1kds s ALA 151 Ca 0.99 1.60 -0.07 0.00 0.00 0.00 0.00 51.96 54.48 1kds s ALA 151 Cb -1.28 -0.95 0.12 0.00 0.00 0.00 0.00 23.12 21.01 1kds s ALA 151 CO 0.70 -0.27 1.64 -0.91 0.00 0.00 0.00 175.76 176.92 1kds h ASN 152 N 6.52 0.95 0.50 0.00 2.35 -1.01 -2.74 115.58 122.16 1kds h ASN 152 Ca -0.33 -0.30 0.00 0.00 -0.55 0.00 0.00 56.30 55.12 1kds h ASN 152 Cb 1.19 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 39.30 1kds h ASN 152 CO 0.25 1.06 0.00 0.77 -1.65 0.00 0.00 177.43 177.85 1kds h SER 153 N 0.85 0.00 0.00 5.81 4.64 -1.65 0.47 113.55 123.66 1kds h SER 153 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1kds h SER 153 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1kds h SER 153 CO 0.04 0.00 -0.22 -1.28 -0.87 0.00 0.00 176.83 174.51 1kds h SER 154 N 0.00 0.00 0.38 4.97 0.87 -1.73 -3.29 113.55 114.75 1kds h SER 154 Ca 0.00 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 1kds h SER 154 Cb 0.25 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 1kds h SER 154 CO 0.00 0.34 -0.25 -0.29 -0.53 0.00 0.00 176.83 176.10 1kds h ILE 155 N -0.46 0.98 -0.32 2.23 2.10 -1.38 -2.35 117.51 118.30 1kds h ILE 155 Ca 0.00 -0.92 -0.00 0.00 1.08 0.00 0.00 64.86 65.01 1kds h ILE 155 Cb 0.22 1.53 -0.02 0.00 -1.09 0.00 0.00 36.82 37.46 1kds h ILE 155 CO 0.00 0.25 0.19 1.23 -1.08 0.00 0.00 178.15 178.73 1kds h GLY 156 N 1.01 0.47 1.25 8.18 0.00 -0.26 -1.61 103.07 112.11 1kds h GLY 156 Ca -0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.05 1kds h GLY 156 CO 0.03 0.20 0.05 -2.00 0.00 0.00 0.00 176.54 174.83 1kds h LEU 157 N 0.41 0.88 -0.77 3.11 5.85 -1.51 -2.19 115.31 121.09 1kds h LEU 157 Ca 0.11 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.67 1kds h LEU 157 Cb 0.03 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.78 1kds h LEU 157 CO -0.02 0.91 0.48 0.15 -0.34 0.00 0.00 178.44 179.62 1kds h PHE 158 N 0.86 0.89 -0.26 1.25 3.57 -1.05 -0.61 116.94 121.59 1kds h PHE 158 Ca 0.17 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 1kds h PHE 158 Cb 0.43 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1kds h PHE 158 CO 0.03 0.48 0.04 0.78 -2.23 0.00 0.00 178.31 177.41 1kds h GLY 159 N 0.90 0.47 1.03 2.40 0.00 -0.84 -0.12 103.07 106.91 1kds h GLY 159 Ca 0.33 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1kds h GLY 159 CO -0.14 0.29 0.52 0.00 0.00 0.00 0.00 176.54 177.20 1kds h ALA 160 N 0.86 1.18 0.00 3.60 0.00 -1.10 -3.05 119.26 120.76 1kds h ALA 160 Ca 0.08 -0.12 -0.25 0.00 0.00 0.00 0.00 54.91 54.61 1kds h ALA 160 Cb 0.33 -0.37 0.01 0.00 0.00 0.00 0.00 17.79 17.76 1kds h ALA 160 CO 0.00 0.67 -1.01 -0.07 0.00 0.00 0.00 179.25 178.85 1kds h LEU 161 N 1.28 0.75 -2.04 0.00 3.38 -1.03 -3.31 115.31 114.35 1kds h LEU 161 Ca 0.33 -0.60 0.08 0.00 0.09 0.00 0.00 57.88 57.77 1kds h LEU 161 Cb 0.00 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1kds h LEU 161 CO -0.06 1.41 0.21 0.00 0.09 0.00 0.00 178.44 180.09 1kds h ALA 162 N 0.54 2.20 -0.01 1.53 0.00 -0.90 -2.09 119.26 120.53 1kds h ALA 162 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1kds h ALA 162 Cb 1.65 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1kds h ALA 162 CO 0.19 -0.35 -0.38 1.33 0.00 0.00 0.00 179.25 180.04 1kds n VAL 163 N -4.33 0.00 0.16 0.00 0.24 -1.21 -4.53 118.33 108.65 1kds n VAL 163 Ca 0.04 -0.12 -0.15 0.00 -2.04 0.00 0.00 64.34 62.07 1kds n VAL 163 Cb 0.37 0.54 -0.08 0.00 -1.47 0.00 0.00 33.84 33.21 1kds n VAL 163 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1kds h LYS 164 N 1.12 -0.69 -0.87 7.34 1.79 -1.49 -2.78 116.57 120.99 1kds h LYS 164 Ca 0.00 0.05 0.22 0.00 -2.18 0.00 0.00 60.65 58.74 1kds h LYS 164 Cb 0.54 0.16 -0.13 0.00 -1.58 0.00 0.00 32.23 31.22 1kds h LYS 164 CO 0.00 -0.46 0.31 -1.35 -1.08 0.00 0.00 179.45 176.87 1kds h PRO 165 N -0.72 0.30 0.00 3.15 0.11 -1.80 0.59 132.00 133.63 1kds h PRO 165 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1kds h PRO 165 Cb 0.71 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1kds h PRO 165 CO -0.19 0.20 0.00 0.66 -0.21 0.00 0.00 178.00 178.45 1kds h SER 166 N 0.30 0.00 0.00 -2.05 4.64 -1.79 -3.45 113.55 111.20 1kds h SER 166 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 1kds h SER 166 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1kds h SER 166 CO -0.58 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 175.99 1kds n GLY 167 N -1.02 0.60 3.93 -0.77 0.00 0.20 -4.99 105.19 103.14 1kds n GLY 167 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 1kds n GLY 167 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kds s LEU 168 N 0.00 4.28 0.92 0.99 1.43 -1.26 -5.09 118.68 119.95 1kds s LEU 168 Ca 0.00 0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 53.28 1kds s LEU 168 Cb 0.00 -3.05 0.14 0.00 0.03 0.00 0.00 46.19 43.31 1kds s LEU 168 CO 0.00 0.01 1.10 -0.94 0.23 0.00 0.00 176.35 176.76 1kds s SER 169 N -3.13 3.37 0.09 2.29 1.04 -1.26 -4.70 113.70 111.40 1kds s SER 169 Ca 0.37 1.25 -0.20 0.00 0.48 0.00 0.00 55.95 57.85 1kds s SER 169 Cb -0.11 -1.92 -0.08 0.00 0.10 0.00 0.00 66.02 64.01 1kds s SER 169 CO 0.29 -2.67 1.64 0.15 0.98 0.00 0.00 173.24 173.62 1kds h PHE 170 N -1.57 0.31 -0.70 5.02 3.57 -1.94 -1.17 116.94 120.47 1kds h PHE 170 Ca -0.51 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 60.97 1kds h PHE 170 Cb 1.31 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.92 1kds h PHE 170 CO 0.36 0.35 0.43 1.49 -2.23 0.00 0.00 178.31 178.72 1kds h GLU 171 N 0.18 0.94 -0.37 1.11 4.81 -1.98 -0.74 114.58 118.52 1kds h GLU 171 Ca 0.07 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1kds h GLU 171 Cb 0.17 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 1kds h GLU 171 CO -0.01 0.65 0.23 1.96 -0.73 0.00 0.00 179.01 181.12 1kds h GLN 172 N 0.95 0.49 -0.35 1.92 4.20 -1.88 -0.85 115.11 119.58 1kds h GLN 172 Ca 0.25 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.81 1kds h GLN 172 Cb -0.06 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 1kds h GLN 172 CO -0.05 0.35 -0.24 0.00 -0.67 0.00 0.00 178.83 178.22 1kds h ALA 173 N 1.11 0.93 -0.25 3.87 0.00 -0.97 -1.04 119.26 122.91 1kds h ALA 173 Ca 0.13 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1kds h ALA 173 Cb -0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1kds h ALA 173 CO -0.03 0.62 0.03 1.98 0.00 0.00 0.00 179.25 181.85 1kds h MET 174 N 0.61 0.41 0.10 0.00 -1.53 -0.86 0.18 114.93 113.84 1kds h MET 174 Ca 0.08 -0.12 -0.01 0.00 -3.44 0.00 0.00 59.70 56.22 1kds h MET 174 Cb 0.73 -0.05 0.00 0.00 -0.55 0.00 0.00 31.60 31.73 1kds h MET 174 CO 0.06 0.56 -0.05 1.96 0.14 0.00 0.00 176.91 179.57 1kds h GLN 175 N 0.21 -0.13 0.01 0.39 4.20 -1.08 0.48 115.11 119.19 1kds h GLN 175 Ca 0.07 0.01 -0.20 0.00 0.06 0.00 0.00 58.65 58.59 1kds h GLN 175 Cb 0.35 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1kds h GLN 175 CO 0.01 0.08 -0.90 1.79 -0.67 0.00 0.00 178.83 179.14 1kds h THR 176 N -0.33 1.49 0.00 -0.54 1.35 -1.21 -0.28 112.91 113.39 1kds h THR 176 Ca -0.01 -2.63 0.00 0.00 -0.55 0.00 0.00 66.41 63.21 1kds h THR 176 Cb 0.27 2.48 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 1kds h THR 176 CO 0.02 0.77 -1.55 0.54 -0.25 0.00 0.00 175.52 175.06 1kds n ARG 177 N -3.66 0.55 0.05 4.72 1.74 0.64 -4.49 116.66 116.21 1kds n ARG 177 Ca -0.04 -0.08 0.00 0.00 -0.77 0.00 0.00 57.85 56.96 1kds n ARG 177 Cb 0.82 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 1kds n ARG 177 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1kds n VAL 178 N -2.28 0.82 0.29 1.55 0.31 -0.02 -4.74 118.33 114.27 1kds n VAL 178 Ca -0.02 0.27 -0.16 0.00 -0.01 0.00 0.00 64.34 64.42 1kds n VAL 178 Cb 0.53 -1.40 -0.09 0.00 -0.91 0.00 0.00 33.84 31.98 1kds n VAL 178 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1kds h PHE 179 N 0.00 -1.20 -0.15 3.52 0.04 -1.03 -2.95 116.94 115.17 1kds h PHE 179 Ca 0.00 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.81 1kds h PHE 179 Cb 0.17 0.46 -0.03 0.00 2.20 0.00 0.00 35.95 38.75 1kds h PHE 179 CO 0.00 -0.60 -0.06 1.96 -0.60 0.00 0.00 178.31 179.01 1kds h GLN 180 N -0.93 -0.03 0.00 1.51 4.20 -1.30 -0.09 115.11 118.48 1kds h GLN 180 Ca -0.07 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1kds h GLN 180 Cb 0.79 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.57 1kds h GLN 180 CO -0.01 -0.02 -0.00 -1.35 -0.67 0.00 0.00 178.83 176.78 1kds h PRO 181 N -0.03 0.00 -0.02 1.46 0.11 -1.79 -0.68 132.00 131.05 1kds h PRO 181 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1kds h PRO 181 Cb 0.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.26 1kds h PRO 181 CO -0.17 0.00 -0.07 1.28 -0.21 0.00 0.00 178.00 178.83 1kds n LEU 182 N -4.08 2.40 -1.61 2.35 4.77 -0.97 -4.96 117.00 114.89 1kds n LEU 182 Ca -0.03 -0.80 -0.14 0.00 -0.03 0.00 0.00 56.01 55.01 1kds n LEU 182 Cb 0.09 -0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1kds n LEU 182 CO 0.30 0.40 -0.16 0.29 -1.33 0.00 0.00 177.39 176.90 1kds n LYS 183 N 0.79 -1.31 -2.51 3.23 4.01 -0.26 -4.91 118.16 117.19 1kds n LYS 183 Ca 0.15 0.65 -0.43 0.00 -0.51 0.00 0.00 58.31 58.17 1kds n LYS 183 Cb 0.51 -4.90 0.00 0.00 -0.51 0.00 0.00 35.03 30.12 1kds n LYS 183 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1kds n LEU 184 N -2.03 5.73 0.00 -0.35 4.77 -0.19 -4.73 117.00 120.19 1kds n LEU 184 Ca -0.15 -4.30 0.14 0.00 -0.03 0.00 0.00 56.01 51.67 1kds n LEU 184 Cb 0.62 -1.63 0.78 0.00 -2.33 0.00 0.00 43.42 40.86 1kds n LEU 184 CO 0.20 0.77 0.99 0.59 -1.33 0.00 0.00 177.39 178.62 1kds n ASN 185 N 6.08 0.00 -1.88 -1.43 3.02 -1.26 -3.38 115.26 116.41 1kds n ASN 185 Ca 0.43 -0.61 -0.03 0.00 -0.03 0.00 0.00 54.58 54.34 1kds n ASN 185 Cb 0.42 -0.10 0.07 0.00 -0.61 0.00 0.00 39.78 39.55 1kds n ASN 185 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1kds n HIS 186 N -1.10 1.03 -4.81 3.10 8.25 -1.26 -5.01 115.22 115.41 1kds n HIS 186 Ca 0.18 -1.60 -0.33 0.00 -0.26 0.00 0.00 57.72 55.71 1kds n HIS 186 Cb 0.14 -0.24 -0.16 0.00 1.12 0.00 0.00 29.99 30.85 1kds n HIS 186 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1kds s THR 187 N -2.87 2.24 0.06 1.59 2.01 -1.22 -3.81 115.64 113.64 1kds s THR 187 Ca 0.36 -0.93 0.01 0.00 0.31 0.00 0.00 61.69 61.44 1kds s THR 187 Cb 0.37 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.95 1kds s THR 187 CO -0.06 0.54 -0.05 0.26 -0.69 0.00 0.00 174.62 174.62 1kds s TRP 188 N 0.64 0.64 -0.25 4.92 0.52 -0.07 -4.98 118.94 120.36 1kds s TRP 188 Ca -0.11 -0.84 -0.03 0.00 0.02 0.00 0.00 56.10 55.15 1kds s TRP 188 Cb -0.16 -0.41 -0.17 0.00 -1.15 0.00 0.00 33.47 31.58 1kds s TRP 188 CO 0.02 -0.22 -0.21 -0.89 0.02 0.00 0.00 176.95 175.67 1kds n ILE 189 N 0.49 1.52 -4.07 2.03 5.41 -1.26 -0.09 119.36 123.39 1kds n ILE 189 Ca -0.16 -0.53 -0.32 0.00 1.00 0.00 0.00 62.75 62.74 1kds n ILE 189 Cb 0.59 -1.55 -0.15 0.00 -0.71 0.00 0.00 39.64 37.81 1kds n ILE 189 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 1kds s ASN 190 N -6.78 4.21 -0.12 4.38 -0.87 -1.26 -4.78 114.94 109.71 1kds s ASN 190 Ca -0.35 -1.27 -0.29 0.00 -1.57 0.00 0.00 52.86 49.38 1kds s ASN 190 Cb 0.10 -1.52 -0.03 0.00 -0.02 0.00 0.00 41.25 39.78 1kds s ASN 190 CO 0.59 -0.16 1.42 -0.69 -2.57 0.00 0.00 177.10 175.69 1kds s VAL 191 N 1.14 3.99 0.73 1.60 1.01 -1.26 -5.00 120.40 122.61 1kds s VAL 191 Ca -0.07 1.20 -0.13 0.00 0.00 0.00 0.00 61.98 62.99 1kds s VAL 191 Cb -0.19 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.45 1kds s VAL 191 CO -0.06 -0.11 1.10 -2.16 0.00 0.00 0.00 175.10 173.87 1kds s PRO 192 N 3.73 2.44 0.25 2.72 0.04 -1.26 -4.83 135.00 138.10 1kds s PRO 192 Ca 0.62 1.30 -0.02 0.00 0.04 0.00 0.00 61.00 62.94 1kds s PRO 192 Cb -0.26 -1.91 0.51 0.00 0.04 0.00 0.00 34.50 32.87 1kds s PRO 192 CO 0.21 -1.51 1.73 -1.35 0.04 0.00 0.00 177.00 176.11 1kds h PRO 193 N -0.63 0.46 -0.06 0.56 0.11 -2.01 0.46 132.00 130.89 1kds h PRO 193 Ca -0.45 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.65 1kds h PRO 193 Cb 1.24 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1kds h PRO 193 CO 0.52 0.30 0.16 0.00 -0.21 0.00 0.00 178.00 178.77 1kds h ALA 194 N 1.57 1.39 -0.01 -0.75 0.00 -2.03 -1.72 119.26 117.72 1kds h ALA 194 Ca 0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1kds h ALA 194 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1kds h ALA 194 CO -0.41 -0.19 -0.55 0.39 0.00 0.00 0.00 179.25 178.48 1kds n GLU 195 N -3.31 1.67 -0.29 0.00 -0.58 0.11 -4.63 120.64 113.62 1kds n GLU 195 Ca -0.01 -0.42 0.12 0.00 -0.42 0.00 0.00 57.16 56.42 1kds n GLU 195 Cb 0.24 -1.28 0.27 0.00 -0.57 0.00 0.00 31.44 30.11 1kds n GLU 195 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1kds h GLU 196 N 0.95 0.25 0.00 3.49 5.08 -0.83 0.51 114.58 124.03 1kds h GLU 196 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1kds h GLU 196 Cb 0.48 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1kds h GLU 196 CO 0.00 0.16 0.00 1.57 -1.00 0.00 0.00 179.01 179.74 1kds h LYS 197 N 0.25 0.00 -0.01 2.33 -0.00 -1.82 -0.05 116.57 117.27 1kds h LYS 197 Ca 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 61.18 1kds h LYS 197 Cb 1.03 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.26 1kds h LYS 197 CO -0.61 0.00 -0.51 0.09 -0.00 0.00 0.00 179.45 178.42 1kds n ASN 198 N -2.40 1.97 -4.60 7.07 5.03 0.17 -4.89 115.26 117.60 1kds n ASN 198 Ca -0.02 -1.48 -0.43 0.00 0.87 0.00 0.00 54.58 53.52 1kds n ASN 198 Cb 0.04 0.51 -0.02 0.00 -1.02 0.00 0.00 39.78 39.30 1kds n ASN 198 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1kds s TYR 199 N -2.52 2.57 0.70 3.10 6.14 -0.03 -0.16 117.35 127.15 1kds s TYR 199 Ca 0.18 0.70 -0.13 0.00 0.64 0.00 0.00 57.07 58.46 1kds s TYR 199 Cb 0.18 -4.33 0.02 0.00 0.42 0.00 0.00 41.96 38.25 1kds s TYR 199 CO 0.59 -1.71 1.11 0.00 0.64 0.00 0.00 175.55 176.18 1kds s ALA 200 N 5.02 2.38 0.15 3.97 0.00 -0.83 -4.92 121.76 127.54 1kds s ALA 200 Ca 0.56 0.46 -0.11 0.00 0.00 0.00 0.00 51.96 52.86 1kds s ALA 200 Cb -0.11 -3.31 -0.07 0.00 0.00 0.00 0.00 23.12 19.63 1kds s ALA 200 CO 0.32 -1.46 0.51 -1.58 0.00 0.00 0.00 175.76 173.54 1kds s TRP 201 N -2.53 3.54 0.25 0.00 0.52 -0.37 -4.94 118.94 115.42 1kds s TRP 201 Ca 0.65 0.91 -0.01 0.00 0.02 0.00 0.00 56.10 57.67 1kds s TRP 201 Cb -0.19 -2.27 -0.04 0.00 -1.15 0.00 0.00 33.47 29.82 1kds s TRP 201 CO 0.47 0.40 0.46 0.20 0.02 0.00 0.00 176.95 178.50 1kds s GLY 202 N -1.96 1.68 -0.10 0.98 0.00 0.22 -4.79 107.32 103.35 1kds s GLY 202 Ca 0.40 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 44.31 1kds s GLY 202 CO 0.20 -0.75 -0.09 -0.19 0.00 0.00 0.00 173.10 172.27 1kds s TYR 203 N -2.01 1.44 -0.20 1.90 1.51 -0.92 0.12 117.35 119.18 1kds s TYR 203 Ca 0.40 -0.65 -0.01 0.00 -1.01 0.00 0.00 57.07 55.79 1kds s TYR 203 Cb -0.11 -1.16 0.06 0.00 -0.11 0.00 0.00 41.96 40.65 1kds s TYR 203 CO 0.31 -0.43 -0.01 0.50 -1.11 0.00 0.00 175.55 174.81 1kds s ARG 204 N 1.37 1.10 -1.34 -0.62 3.52 -0.49 -4.42 118.95 118.07 1kds s ARG 204 Ca -0.01 -0.64 -0.06 0.00 -0.13 0.00 0.00 55.73 54.89 1kds s ARG 204 Cb -0.14 -2.27 0.02 0.00 -1.56 0.00 0.00 34.95 31.01 1kds s ARG 204 CO -0.04 -0.60 1.02 0.39 -0.81 0.00 0.00 175.30 175.26 1kds n GLU 205 N 4.89 -6.67 -0.88 5.12 1.02 -1.26 -1.93 120.64 120.93 1kds n GLU 205 Ca -0.10 0.76 0.00 0.00 -0.02 0.00 0.00 57.16 57.79 1kds n GLU 205 Cb 0.46 -5.70 0.00 0.00 -0.02 0.00 0.00 31.44 26.18 1kds n GLU 205 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1kds n GLY 206 N -1.64 0.66 3.68 0.62 0.00 -1.26 -5.00 105.19 102.25 1kds n GLY 206 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 1kds n GLY 206 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kds s LYS 207 N -0.33 3.45 0.00 1.61 1.02 -0.81 -5.07 119.74 119.61 1kds s LYS 207 Ca 0.00 -0.35 -0.30 0.00 0.02 0.00 0.00 55.97 55.34 1kds s LYS 207 Cb 0.00 -3.01 -0.05 0.00 -0.52 0.00 0.00 37.83 34.26 1kds s LYS 207 CO 0.00 0.53 1.23 0.00 -0.92 0.00 0.00 175.35 176.19 1kds s ALA 208 N -0.39 3.46 0.05 5.17 0.00 -1.26 -1.40 121.76 127.39 1kds s ALA 208 Ca 0.09 0.76 -0.05 0.00 0.00 0.00 0.00 51.96 52.75 1kds s ALA 208 Cb -0.12 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.49 1kds s ALA 208 CO 0.02 -0.63 0.09 0.14 0.00 0.00 0.00 175.76 175.37 1kds s VAL 209 N 1.72 0.15 0.13 0.00 -7.23 0.12 -4.91 120.40 110.37 1kds s VAL 209 Ca 0.58 -1.20 0.06 0.00 -1.81 0.00 0.00 61.98 59.62 1kds s VAL 209 Cb -0.28 -1.02 -0.04 0.00 0.56 0.00 0.00 36.38 35.60 1kds s VAL 209 CO 0.26 -0.66 -0.15 -1.00 -0.31 0.00 0.00 175.10 173.24 1kds s HIS 210 N -2.92 1.47 0.31 2.82 3.76 -1.26 -0.61 115.29 118.86 1kds s HIS 210 Ca -0.02 -0.54 -0.30 0.00 -0.15 0.00 0.00 55.06 54.05 1kds s HIS 210 Cb 0.01 -0.76 -0.11 0.00 1.11 0.00 0.00 32.58 32.82 1kds s HIS 210 CO -0.06 0.18 1.56 0.54 -0.85 0.00 0.00 174.74 176.11 1kds s VAL 211 N -2.15 2.10 0.36 -0.90 0.11 -1.26 -4.98 120.40 113.68 1kds s VAL 211 Ca 0.10 0.09 -0.19 0.00 -2.93 0.00 0.00 61.98 59.06 1kds s VAL 211 Cb -0.05 -3.06 -0.10 0.00 -1.53 0.00 0.00 36.38 31.65 1kds s VAL 211 CO 0.04 0.02 0.83 -0.44 -3.33 0.00 0.00 175.10 172.22 1kds s SER 212 N 0.35 6.90 0.47 3.54 0.01 -1.26 -5.04 113.70 118.68 1kds s SER 212 Ca 0.61 1.49 -0.23 0.00 1.31 0.00 0.00 55.95 59.13 1kds s SER 212 Cb -0.47 -2.46 -0.07 0.00 0.21 0.00 0.00 66.02 63.23 1kds s SER 212 CO 0.51 -0.24 1.28 -2.16 0.41 0.00 0.00 173.24 173.04 1kds s PRO 213 N -2.91 3.60 0.09 12.44 0.04 -1.26 -5.02 135.00 141.98 1kds s PRO 213 Ca 0.56 2.07 -0.26 0.00 0.04 0.00 0.00 61.00 63.41 1kds s PRO 213 Cb -0.11 -2.46 0.08 0.00 0.04 0.00 0.00 34.50 32.05 1kds s PRO 213 CO 0.16 -0.77 0.86 0.20 0.04 0.00 0.00 177.00 177.50 1kds s GLY 214 N -1.01 -0.39 0.26 0.56 0.00 -1.26 -5.08 107.32 100.41 1kds s GLY 214 Ca 0.64 0.57 -0.30 0.00 0.00 0.00 0.00 44.72 45.63 1kds s GLY 214 CO 0.44 0.18 1.59 0.00 0.00 0.00 0.00 173.10 175.31 1kds s ALA 215 N -3.31 3.76 -1.68 3.20 0.00 -1.26 -1.93 121.76 120.54 1kds s ALA 215 Ca 0.07 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.55 1kds s ALA 215 Cb -0.01 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1kds s ALA 215 CO -0.05 -0.92 0.00 1.28 0.00 0.00 0.00 175.76 176.07 1kds n LEU 216 N 2.64 -1.67 -0.12 0.00 4.77 -1.26 -4.88 117.00 116.48 1kds n LEU 216 Ca 0.10 0.12 -0.11 0.00 -0.03 0.00 0.00 56.01 56.09 1kds n LEU 216 Cb 0.38 -2.72 -0.02 0.00 -2.33 0.00 0.00 43.42 38.72 1kds n LEU 216 CO 0.63 -0.35 0.76 -2.24 -1.33 0.00 0.00 177.39 174.86 1kds h ASP 217 N 0.00 0.64 -0.63 -1.43 3.04 -1.80 -2.06 116.42 114.18 1kds h ASP 217 Ca -0.43 -0.33 0.04 0.00 -3.24 0.00 0.00 57.03 53.07 1kds h ASP 217 Cb 1.31 -0.17 -0.04 0.00 -1.04 0.00 0.00 39.33 39.38 1kds h ASP 217 CO 0.53 0.81 0.37 0.00 -2.04 0.00 0.00 179.24 178.92 1kds h ALA 218 N 0.85 0.83 0.00 4.15 0.00 -1.90 0.18 119.26 123.37 1kds h ALA 218 Ca 0.10 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1kds h ALA 218 Cb 0.50 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1kds h ALA 218 CO 0.02 0.09 -0.48 0.93 0.00 0.00 0.00 179.25 179.82 1kds h GLU 219 N 0.72 0.00 0.00 0.00 3.07 -1.88 -3.33 114.58 113.16 1kds h GLU 219 Ca 0.26 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.05 1kds h GLU 219 Cb 0.08 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 1kds h GLU 219 CO -0.13 0.48 -1.49 0.00 -1.40 0.00 0.00 179.01 176.47 1kds n ALA 220 N -2.33 2.09 -1.91 3.43 0.00 -0.78 -4.66 120.51 116.36 1kds n ALA 220 Ca -0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 53.44 53.05 1kds n ALA 220 Cb 0.58 -0.14 -0.02 0.00 0.00 0.00 0.00 19.45 19.87 1kds n ALA 220 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1kds n TYR 221 N -2.04 0.00 0.79 0.00 0.18 0.01 -4.23 117.16 111.87 1kds n TYR 221 Ca -0.07 -0.12 0.12 0.00 1.88 0.00 0.00 57.90 59.71 1kds n TYR 221 Cb 0.48 0.30 0.18 0.00 -0.38 0.00 0.00 39.34 39.92 1kds n TYR 221 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1kds n GLY 222 N 0.00 1.18 3.77 -7.48 0.00 0.42 -3.93 105.19 99.15 1kds n GLY 222 Ca -0.07 -0.68 -0.38 0.00 0.00 0.00 0.00 46.02 44.89 1kds n GLY 222 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kds s VAL 223 N -1.81 3.79 -0.02 1.61 1.01 -1.26 -4.47 120.40 119.26 1kds s VAL 223 Ca 0.33 1.58 0.06 0.00 0.00 0.00 0.00 61.98 63.95 1kds s VAL 223 Cb 0.21 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 1kds s VAL 223 CO 0.31 0.21 -0.21 -0.54 0.00 0.00 0.00 175.10 174.87 1kds s LYS 224 N -1.91 1.76 0.29 2.72 3.01 0.88 -1.57 119.74 124.91 1kds s LYS 224 Ca 0.50 -0.74 -0.13 0.00 -1.01 0.00 0.00 55.97 54.59 1kds s LYS 224 Cb -0.25 -1.66 0.01 0.00 -1.01 0.00 0.00 37.83 34.93 1kds s LYS 224 CO 0.31 0.42 0.57 0.45 0.51 0.00 0.00 175.35 177.61 1kds s SER 225 N -0.40 0.06 0.38 2.83 0.15 -0.60 -0.89 113.70 115.22 1kds s SER 225 Ca 0.06 -0.99 0.08 0.00 0.70 0.00 0.00 55.95 55.79 1kds s SER 225 Cb -0.09 0.67 -0.02 0.00 -1.71 0.00 0.00 66.02 64.86 1kds s SER 225 CO -0.00 -1.29 0.34 0.42 1.20 0.00 0.00 173.24 173.92 1kds s THR 226 N -3.59 3.08 0.39 6.45 -4.23 -1.25 -0.27 115.64 116.23 1kds s THR 226 Ca 0.21 -1.34 0.13 0.00 -1.18 0.00 0.00 61.69 59.50 1kds s THR 226 Cb -0.02 -3.09 0.11 0.00 1.34 0.00 0.00 72.50 70.84 1kds s THR 226 CO 0.11 -0.08 1.86 -0.29 -0.54 0.00 0.00 174.62 175.68 1kds h ILE 227 N 1.12 1.23 -0.18 2.99 6.09 -1.75 -1.61 117.51 125.40 1kds h ILE 227 Ca -0.43 -1.13 -0.06 0.00 -1.37 0.00 0.00 64.86 61.87 1kds h ILE 227 Cb 1.26 1.61 -0.00 0.00 0.47 0.00 0.00 36.82 40.16 1kds h ILE 227 CO 0.57 0.32 -0.13 -0.33 -3.07 0.00 0.00 178.15 175.52 1kds h GLU 228 N 0.00 0.41 -0.43 2.19 5.08 -1.94 -2.22 114.58 117.67 1kds h GLU 228 Ca -0.00 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 58.06 1kds h GLU 228 Cb 0.59 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1kds h GLU 228 CO 0.04 0.74 -0.15 -0.44 -1.00 0.00 0.00 179.01 178.20 1kds h ASP 229 N 0.08 0.80 -0.09 1.42 3.45 -1.87 -2.62 116.42 117.59 1kds h ASP 229 Ca 0.04 -0.26 -0.06 0.00 0.43 0.00 0.00 57.03 57.17 1kds h ASP 229 Cb 0.64 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 39.17 1kds h ASP 229 CO 0.03 0.96 -0.12 0.24 -1.57 0.00 0.00 179.24 178.78 1kds h MET 230 N 0.72 0.42 -0.52 3.56 2.86 -1.26 0.31 114.93 121.02 1kds h MET 230 Ca 0.11 -0.11 -0.12 0.00 -2.06 0.00 0.00 59.70 57.52 1kds h MET 230 Cb 0.65 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 1kds h MET 230 CO 0.05 0.54 -0.14 0.00 1.06 0.00 0.00 176.91 178.42 1kds h ALA 231 N 1.49 0.78 -0.38 6.32 0.00 -1.15 -0.50 119.26 125.81 1kds h ALA 231 Ca 0.08 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 1kds h ALA 231 Cb 0.45 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1kds h ALA 231 CO 0.03 0.67 -0.27 0.07 0.00 0.00 0.00 179.25 179.74 1kds h ARG 232 N 0.88 0.81 -0.26 0.00 0.11 -1.06 -0.45 114.38 114.40 1kds h ARG 232 Ca 0.13 -0.35 0.04 0.00 0.10 0.00 0.00 59.98 59.90 1kds h ARG 232 Cb 0.70 -0.02 -0.04 0.00 1.11 0.00 0.00 29.97 31.72 1kds h ARG 232 CO 0.05 0.98 0.01 2.35 0.10 0.00 0.00 179.97 183.46 1kds h TRP 233 N 0.69 0.00 -0.75 4.08 -0.00 -0.58 0.13 115.95 119.53 1kds h TRP 233 Ca 0.08 0.02 -0.06 0.00 -0.00 0.00 0.00 58.89 58.94 1kds h TRP 233 Cb 0.80 0.04 -0.03 0.00 -0.00 0.00 0.00 29.16 29.97 1kds h TRP 233 CO 0.04 -0.03 0.25 0.28 -0.00 0.00 0.00 178.44 178.98 1kds h VAL 234 N 0.09 1.26 -0.69 2.65 2.07 -0.83 -1.91 116.25 118.89 1kds h VAL 234 Ca 0.12 -0.88 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 1kds h VAL 234 Cb 0.15 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1kds h VAL 234 CO -0.20 0.35 0.34 1.56 0.02 0.00 0.00 177.57 179.64 1kds h GLN 235 N 1.11 0.99 -0.72 1.57 4.20 -0.44 -0.03 115.11 121.79 1kds h GLN 235 Ca 0.24 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.77 1kds h GLN 235 Cb 0.28 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 1kds h GLN 235 CO -0.01 0.78 0.28 0.77 -0.67 0.00 0.00 178.83 179.98 1kds h SER 236 N 0.96 0.99 1.69 1.46 0.02 -0.39 -1.90 113.55 116.38 1kds h SER 236 Ca 0.24 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 1kds h SER 236 Cb 0.11 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 1kds h SER 236 CO -0.03 0.89 -0.13 0.78 -1.14 0.00 0.00 176.83 177.20 1kds h ASN 237 N 1.05 0.00 0.02 3.07 2.35 -0.96 -2.88 115.58 118.23 1kds h ASN 237 Ca 0.24 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.84 1kds h ASN 237 Cb 0.22 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.60 1kds h ASN 237 CO -0.02 0.13 -0.61 -0.07 -1.65 0.00 0.00 177.43 175.21 1kds h LEU 238 N 0.00 0.50 -6.66 1.61 3.38 -0.56 -3.40 115.31 110.19 1kds h LEU 238 Ca -0.00 -0.79 -0.61 0.00 0.09 0.00 0.00 57.88 56.57 1kds h LEU 238 Cb 1.01 -0.15 -0.41 0.00 0.09 0.00 0.00 40.66 41.19 1kds h LEU 238 CO 0.02 1.23 -0.70 0.29 0.09 0.00 0.00 178.44 179.37 1kds n LYS 239 N -4.22 1.58 0.07 1.13 5.02 -0.76 -4.84 118.16 116.14 1kds n LYS 239 Ca -0.11 -4.18 -0.00 0.00 -2.02 0.00 0.00 58.31 52.00 1kds n LYS 239 Cb 0.69 -2.08 0.30 0.00 -0.02 0.00 0.00 35.03 33.92 1kds n LYS 239 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1kds h PRO 240 N 5.05 0.35 0.00 1.97 0.13 -1.72 -2.81 132.00 134.97 1kds h PRO 240 Ca 0.18 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1kds h PRO 240 Cb 0.77 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1kds h PRO 240 CO 0.66 0.52 0.00 1.28 -0.23 0.00 0.00 178.00 180.23 1kds n LEU 241 N -4.20 0.00 -0.46 1.56 4.77 -1.26 -0.86 117.00 116.54 1kds n LEU 241 Ca -0.00 0.05 0.10 0.00 -0.03 0.00 0.00 56.01 56.13 1kds n LEU 241 Cb 0.33 -0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1kds n LEU 241 CO 0.40 -0.04 0.30 0.47 -1.33 0.00 0.00 177.39 177.18 1kds n ASP 242 N -1.05 1.92 -4.75 -1.43 10.43 -1.06 -4.94 116.55 115.66 1kds n ASP 242 Ca 0.06 -1.46 -0.40 0.00 2.57 0.00 0.00 54.79 55.56 1kds n ASP 242 Cb 0.04 0.46 -0.05 0.00 1.84 0.00 0.00 41.12 43.41 1kds n ASP 242 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1kds s ILE 243 N -2.25 3.92 0.09 0.53 1.09 -0.04 -4.97 121.20 119.56 1kds s ILE 243 Ca 0.17 1.82 -0.15 0.00 -1.10 0.00 0.00 60.65 61.39 1kds s ILE 243 Cb 0.16 -4.16 -0.11 0.00 -1.06 0.00 0.00 42.46 37.29 1kds s ILE 243 CO 0.50 0.39 1.36 -0.55 -0.10 0.00 0.00 174.94 176.55 1kds h ASN 244 N 4.44 0.77 -2.73 3.58 -0.00 -1.92 -3.44 115.58 116.28 1kds h ASN 244 Ca -0.45 -0.53 -0.53 0.00 -0.00 0.00 0.00 56.30 54.78 1kds h ASN 244 Cb 1.21 -0.22 0.03 0.00 -0.00 0.00 0.00 38.32 39.33 1kds h ASN 244 CO 0.69 1.16 0.96 -1.61 -0.00 0.00 0.00 177.43 178.63 1kds s GLU 245 N -4.11 4.21 0.04 4.14 0.41 -1.26 -4.92 118.70 117.20 1kds s GLU 245 Ca -0.12 2.33 -0.27 0.00 -0.41 0.00 0.00 54.97 56.50 1kds s GLU 245 Cb 0.08 -3.48 -0.17 0.00 -1.78 0.00 0.00 34.13 28.79 1kds s GLU 245 CO 0.84 -0.69 1.44 1.57 -0.49 0.00 0.00 175.26 177.93 1kds h LYS 246 N 7.89 -0.51 0.00 1.61 2.10 -2.00 -1.94 116.57 123.72 1kds h LYS 246 Ca -0.43 0.03 -0.05 0.00 -2.00 0.00 0.00 60.65 58.21 1kds h LYS 246 Cb 1.20 0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 32.64 1kds h LYS 246 CO 0.92 -0.25 -0.24 1.79 -2.00 0.00 0.00 179.45 179.68 1kds h THR 247 N -0.71 0.83 0.03 0.07 1.35 -1.91 -1.83 112.91 110.74 1kds h THR 247 Ca -0.05 -0.95 -0.24 0.00 -0.55 0.00 0.00 66.41 64.61 1kds h THR 247 Cb 0.50 1.57 0.01 0.00 -1.73 0.00 0.00 68.15 68.50 1kds h THR 247 CO 0.09 0.24 -1.02 0.25 -0.25 0.00 0.00 175.52 174.82 1kds h LEU 248 N 0.00 0.60 -0.42 3.87 5.85 -1.88 0.24 115.31 123.56 1kds h LEU 248 Ca -0.00 -0.51 -0.02 0.00 0.84 0.00 0.00 57.88 58.19 1kds h LEU 248 Cb 0.55 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1kds h LEU 248 CO 0.03 1.32 0.17 -0.61 -0.34 0.00 0.00 178.44 179.01 1kds h GLN 249 N 0.23 0.63 -0.38 1.25 4.15 -1.05 -0.88 115.11 119.06 1kds h GLN 249 Ca -0.10 -0.11 -0.15 0.00 0.77 0.00 0.00 58.65 59.05 1kds h GLN 249 Cb 1.68 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 29.26 1kds h GLN 249 CO 0.18 0.59 -0.37 1.96 -1.93 0.00 0.00 178.83 179.26 1kds h GLN 250 N 0.54 0.90 -0.93 1.69 4.20 -1.32 -2.87 115.11 117.32 1kds h GLN 250 Ca 0.14 -0.46 -0.01 0.00 0.06 0.00 0.00 58.65 58.38 1kds h GLN 250 Cb 0.19 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.93 1kds h GLN 250 CO -0.01 1.11 0.54 0.78 -0.67 0.00 0.00 178.83 180.58 1kds h GLY 251 N 0.83 1.35 0.97 3.46 0.00 -0.66 -0.60 103.07 108.43 1kds h GLY 251 Ca 0.07 -0.58 -0.03 0.00 0.00 0.00 0.00 47.33 46.79 1kds h GLY 251 CO 0.09 0.56 0.20 -2.22 0.00 0.00 0.00 176.54 175.17 1kds h ILE 252 N 1.28 1.21 -0.12 2.60 2.04 -1.12 -2.12 117.51 121.28 1kds h ILE 252 Ca 0.33 -0.66 -0.06 0.00 1.00 0.00 0.00 64.86 65.47 1kds h ILE 252 Cb -0.03 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1kds h ILE 252 CO -0.06 0.25 -0.19 1.56 0.00 0.00 0.00 178.15 179.71 1kds h GLN 253 N 0.66 0.20 -0.00 2.37 4.20 -1.19 -2.60 115.11 118.75 1kds h GLN 253 Ca 0.17 -0.06 -0.16 0.00 0.06 0.00 0.00 58.65 58.66 1kds h GLN 253 Cb 0.20 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 1kds h GLN 253 CO -0.01 0.40 -0.74 -0.07 -0.67 0.00 0.00 178.83 177.73 1kds h LEU 254 N 0.19 0.05 -0.92 1.46 3.38 -0.81 -3.05 115.31 115.61 1kds h LEU 254 Ca 0.04 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1kds h LEU 254 Cb 0.46 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1kds h LEU 254 CO 0.03 0.77 -0.18 0.00 0.09 0.00 0.00 178.44 179.16 1kds h ALA 255 N 1.23 0.97 -0.65 1.53 0.00 -1.01 -2.85 119.26 118.48 1kds h ALA 255 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1kds h ALA 255 Cb 1.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1kds h ALA 255 CO 0.10 0.22 0.00 1.04 0.00 0.00 0.00 179.25 180.61 1kds n GLN 256 N -3.27 2.64 -2.00 0.00 6.02 -1.10 -0.98 117.38 118.69 1kds n GLN 256 Ca 0.01 -2.54 -0.32 0.00 -0.01 0.00 0.00 57.00 54.14 1kds n GLN 256 Cb 0.45 -1.55 0.00 0.00 1.02 0.00 0.00 30.24 30.16 1kds n GLN 256 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1kds s SER 257 N -1.11 6.16 -0.42 1.08 0.01 -1.08 -4.01 113.70 114.33 1kds s SER 257 Ca 0.47 1.54 -0.13 0.00 1.31 0.00 0.00 55.95 59.14 1kds s SER 257 Cb 0.25 -2.49 0.04 0.00 0.21 0.00 0.00 66.02 64.03 1kds s SER 257 CO 0.33 -0.91 0.29 -0.13 0.41 0.00 0.00 173.24 173.23 1kds s ARG 258 N -4.70 2.88 -0.10 12.44 0.52 -0.17 -4.05 118.95 125.77 1kds s ARG 258 Ca 0.58 -1.19 0.10 0.00 -0.52 0.00 0.00 55.73 54.70 1kds s ARG 258 Cb -0.12 -3.93 -0.24 0.00 0.52 0.00 0.00 34.95 31.19 1kds s ARG 258 CO 0.45 -0.84 0.45 0.66 0.02 0.00 0.00 175.30 176.04 1kds n TYR 259 N 5.09 0.79 -3.96 -0.53 4.01 -0.68 -2.56 117.16 119.33 1kds n TYR 259 Ca -0.11 0.25 -0.09 0.00 -0.16 0.00 0.00 57.90 57.79 1kds n TYR 259 Cb 0.45 -1.14 -0.09 0.00 -0.31 0.00 0.00 39.34 38.26 1kds n TYR 259 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1kds s TRP 260 N -2.57 0.27 -0.02 -0.72 0.52 -1.23 -2.09 118.94 113.10 1kds s TRP 260 Ca -0.10 -0.66 0.04 0.00 0.02 0.00 0.00 56.10 55.40 1kds s TRP 260 Cb 0.07 -0.19 -0.01 0.00 -1.15 0.00 0.00 33.47 32.20 1kds s TRP 260 CO 0.81 -0.39 -0.15 -1.14 0.02 0.00 0.00 176.95 176.09 1kds s GLN 261 N -3.11 1.37 -0.22 4.98 0.74 -0.12 -0.74 119.66 122.56 1kds s GLN 261 Ca -0.01 -0.53 -0.04 0.00 0.05 0.00 0.00 55.36 54.84 1kds s GLN 261 Cb 0.02 -1.27 0.10 0.00 1.10 0.00 0.00 33.01 32.96 1kds s GLN 261 CO -0.07 0.27 0.21 -0.08 -0.55 0.00 0.00 175.29 175.07 1kds s THR 262 N -0.15 -0.30 0.00 -0.34 -1.32 -0.04 -1.23 115.64 112.27 1kds s THR 262 Ca 0.01 -0.21 0.00 0.00 -1.21 0.00 0.00 61.69 60.28 1kds s THR 262 Cb -0.08 -0.73 0.00 0.00 -1.51 0.00 0.00 72.50 70.18 1kds s THR 262 CO 0.00 -0.28 0.00 0.61 -2.21 0.00 0.00 174.62 172.74 1kds n GLY 263 N 5.31 1.93 0.51 6.08 0.00 -1.26 -1.83 105.19 115.92 1kds n GLY 263 Ca -0.05 -0.44 0.07 0.00 0.00 0.00 0.00 46.02 45.60 1kds n GLY 263 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1kds n ASP 264 N 7.95 3.05 -4.87 1.61 5.68 -1.26 -4.98 116.55 123.73 1kds n ASP 264 Ca 0.00 -2.72 -0.36 0.00 -0.50 0.00 0.00 54.79 51.22 1kds n ASP 264 Cb 0.00 -0.39 -0.06 0.00 -1.14 0.00 0.00 41.12 39.54 1kds n ASP 264 CO 0.00 0.00 0.00 -0.32 -1.33 0.00 0.00 177.20 175.55 1kds s MET 265 N -2.27 3.40 0.01 0.11 1.75 -0.76 -4.41 119.30 117.13 1kds s MET 265 Ca 0.30 -0.21 0.07 0.00 -1.25 0.00 0.00 55.69 54.60 1kds s MET 265 Cb 0.24 -3.13 -0.03 0.00 2.84 0.00 0.00 34.83 34.75 1kds s MET 265 CO 0.07 0.74 -0.19 0.71 -0.65 0.00 0.00 175.02 175.70 1kds s TYR 266 N -1.11 2.53 -0.24 4.11 1.51 0.67 -0.86 117.35 123.96 1kds s TYR 266 Ca 0.19 -0.28 -0.09 0.00 -1.01 0.00 0.00 57.07 55.88 1kds s TYR 266 Cb -0.12 -1.50 -0.04 0.00 -0.11 0.00 0.00 41.96 40.19 1kds s TYR 266 CO 0.09 0.17 0.11 -1.14 -1.11 0.00 0.00 175.55 173.67 1kds s GLN 267 N -1.10 3.89 0.00 -0.62 2.00 0.08 -1.41 119.66 122.50 1kds s GLN 267 Ca 0.13 -0.37 0.00 0.00 -2.00 0.00 0.00 55.36 53.12 1kds s GLN 267 Cb -0.10 -3.42 0.00 0.00 0.80 0.00 0.00 33.01 30.29 1kds s GLN 267 CO 0.03 -0.02 0.00 0.41 -0.50 0.00 0.00 175.29 175.21 1kds n GLY 268 N 4.46 3.66 3.37 2.59 0.00 -0.55 -1.68 105.19 117.04 1kds n GLY 268 Ca -0.16 -2.00 -0.45 0.00 0.00 0.00 0.00 46.02 43.41 1kds n GLY 268 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kds s LEU 269 N 0.00 5.76 0.00 0.99 1.02 -0.16 -4.54 118.68 121.76 1kds s LEU 269 Ca 0.00 -1.89 0.00 0.00 0.02 0.00 0.00 54.13 52.26 1kds s LEU 269 Cb 0.00 -2.29 0.00 0.00 0.02 0.00 0.00 46.19 43.92 1kds s LEU 269 CO 0.00 -0.95 0.00 0.61 0.02 0.00 0.00 176.35 176.03 1kds n GLY 270 N 4.99 2.08 3.77 -3.19 0.00 -1.26 -4.22 105.19 107.36 1kds n GLY 270 Ca 0.01 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 1kds n GLY 270 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1kds s TRP 271 N 0.00 2.60 0.03 1.61 0.52 -1.26 -4.63 118.94 117.81 1kds s TRP 271 Ca 0.00 1.54 0.08 0.00 0.02 0.00 0.00 56.10 57.74 1kds s TRP 271 Cb 0.00 -3.32 -0.02 0.00 -1.15 0.00 0.00 33.47 28.97 1kds s TRP 271 CO 0.00 -1.74 -0.23 -1.21 0.02 0.00 0.00 176.95 173.79 1kds s GLU 272 N -3.37 1.65 0.12 4.98 2.02 -0.93 -1.49 118.70 121.68 1kds s GLU 272 Ca 0.73 -0.98 0.04 0.00 0.02 0.00 0.00 54.97 54.78 1kds s GLU 272 Cb -0.25 -1.75 -0.04 0.00 0.10 0.00 0.00 34.13 32.19 1kds s GLU 272 CO 0.30 0.46 -0.10 -1.64 0.02 0.00 0.00 175.26 174.29 1kds s MET 273 N -1.07 0.94 0.04 1.61 -1.94 -0.50 -1.40 119.30 116.99 1kds s MET 273 Ca 0.09 -1.28 -0.02 0.00 -1.71 0.00 0.00 55.69 52.78 1kds s MET 273 Cb -0.09 -0.60 -0.03 0.00 2.01 0.00 0.00 34.83 36.12 1kds s MET 273 CO 0.01 0.09 0.00 -0.51 -0.01 0.00 0.00 175.02 174.60 1kds s LEU 274 N -2.72 2.26 0.45 -0.03 1.02 -0.81 -0.23 118.68 118.62 1kds s LEU 274 Ca 0.10 -0.79 -0.22 0.00 0.02 0.00 0.00 54.13 53.24 1kds s LEU 274 Cb -0.01 0.29 -0.09 0.00 0.02 0.00 0.00 46.19 46.40 1kds s LEU 274 CO 0.00 -0.53 1.03 -1.81 0.02 0.00 0.00 176.35 175.07 1kds s ASP 275 N -2.46 6.55 -0.02 2.29 -0.00 -1.26 -0.72 116.67 121.04 1kds s ASP 275 Ca -0.00 1.94 0.06 0.00 -0.00 0.00 0.00 52.55 54.55 1kds s ASP 275 Cb 0.02 -2.57 -0.03 0.00 -0.00 0.00 0.00 42.92 40.35 1kds s ASP 275 CO -0.07 -0.64 -0.18 0.86 -0.00 0.00 0.00 175.17 175.14 1kds s TRP 276 N -1.88 2.56 0.69 4.23 -0.11 -0.68 -3.68 118.94 120.07 1kds s TRP 276 Ca 0.63 -0.26 -0.16 0.00 1.22 0.00 0.00 56.10 57.53 1kds s TRP 276 Cb -0.18 -1.55 0.02 0.00 -1.50 0.00 0.00 33.47 30.26 1kds s TRP 276 CO 0.22 0.14 1.23 -1.25 -4.62 0.00 0.00 176.95 172.67 1kds s PRO 277 N -0.87 2.36 0.00 5.86 0.04 -1.26 -4.78 135.00 136.36 1kds s PRO 277 Ca 0.12 1.85 0.06 0.00 0.04 0.00 0.00 61.00 63.07 1kds s PRO 277 Cb -0.10 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.57 1kds s PRO 277 CO 0.01 -1.68 -0.18 0.54 0.04 0.00 0.00 177.00 175.72 1kds s VAL 278 N -1.77 1.46 -0.21 -0.36 0.11 -1.24 -5.09 120.40 113.29 1kds s VAL 278 Ca 0.77 -0.89 -0.29 0.00 -2.93 0.00 0.00 61.98 58.64 1kds s VAL 278 Cb -0.32 -1.23 -0.02 0.00 -1.53 0.00 0.00 36.38 33.28 1kds s VAL 278 CO 0.42 0.32 1.48 0.21 -3.33 0.00 0.00 175.10 174.20 1kds s ASN 279 N -0.67 6.58 0.42 3.54 2.47 -1.26 -4.87 114.94 121.15 1kds s ASN 279 Ca 0.07 1.59 0.21 0.00 0.42 0.00 0.00 52.86 55.15 1kds s ASN 279 Cb -0.07 -2.54 1.17 0.00 -1.45 0.00 0.00 41.25 38.36 1kds s ASN 279 CO 0.00 -1.09 1.77 -0.65 -3.72 0.00 0.00 177.10 173.41 1kds h PRO 280 N 9.80 0.32 -0.40 0.43 0.11 -2.00 0.45 132.00 140.70 1kds h PRO 280 Ca -0.31 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.73 1kds h PRO 280 Cb 1.13 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1kds h PRO 280 CO 1.00 0.21 0.06 -0.44 -0.21 0.00 0.00 178.00 178.62 1kds h ASP 281 N 0.33 0.57 -0.61 -2.05 5.19 -1.97 0.33 116.42 118.21 1kds h ASP 281 Ca 0.60 -0.10 0.01 0.00 -0.62 0.00 0.00 57.03 56.93 1kds h ASP 281 Cb 1.65 -0.15 -0.03 0.00 0.18 0.00 0.00 39.33 40.98 1kds h ASP 281 CO -0.27 0.60 0.39 0.28 -3.12 0.00 0.00 179.24 177.12 1kds h SER 282 N 0.59 0.67 0.00 6.45 0.02 -0.48 -1.84 113.55 118.96 1kds h SER 282 Ca 0.13 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1kds h SER 282 Cb 0.29 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1kds h SER 282 CO 0.00 0.48 -0.15 0.16 -1.14 0.00 0.00 176.83 176.19 1kds h ILE 283 N 0.80 0.00 -0.88 3.27 3.07 -1.40 -3.17 117.51 119.21 1kds h ILE 283 Ca 0.23 -0.89 0.15 0.00 1.55 0.00 0.00 64.86 65.89 1kds h ILE 283 Cb -0.06 0.00 -0.15 0.00 -0.27 0.00 0.00 36.82 36.34 1kds h ILE 283 CO -0.06 0.00 -0.35 0.40 -1.05 0.00 0.00 178.15 177.09 1kds h ILE 284 N -0.89 0.06 -0.09 0.16 2.04 -0.43 0.11 117.51 118.47 1kds h ILE 284 Ca 0.00 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.72 1kds h ILE 284 Cb 0.15 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 1kds h ILE 284 CO 0.00 0.00 -0.58 0.78 0.00 0.00 0.00 178.15 178.35 1kds h ASN 285 N -0.04 0.33 0.71 1.72 2.35 -1.51 -3.01 115.58 116.12 1kds h ASN 285 Ca 0.33 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1kds h ASN 285 Cb 0.60 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.87 1kds h ASN 285 CO -0.90 0.83 0.00 0.61 -1.65 0.00 0.00 177.43 176.32 1kds n GLY 286 N 0.22 -1.20 0.09 2.83 0.00 0.23 -3.47 105.19 103.89 1kds n GLY 286 Ca -0.02 -0.04 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 1kds n GLY 286 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1kds h SER 287 N 0.00 0.23 -0.56 1.61 4.64 -1.00 -3.28 113.55 115.20 1kds h SER 287 Ca 0.00 -0.95 -0.44 0.00 -0.47 0.00 0.00 61.79 59.93 1kds h SER 287 Cb 0.35 -0.07 0.03 0.00 -0.31 0.00 0.00 62.40 62.40 1kds h SER 287 CO 0.00 1.16 0.04 -0.67 -0.87 0.00 0.00 176.83 176.49 1kds n ASP 288 N -4.39 0.00 -0.48 4.97 -0.08 -1.23 -4.27 116.55 111.08 1kds n ASP 288 Ca -0.12 0.65 0.00 0.00 -1.51 0.00 0.00 54.79 53.81 1kds n ASP 288 Cb 0.63 -0.51 0.00 0.00 2.34 0.00 0.00 41.12 43.58 1kds n ASP 288 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1kds n ASN 289 N 0.85 0.33 -0.00 1.67 5.03 -1.26 -1.17 115.26 120.71 1kds n ASN 289 Ca 0.11 -0.69 0.05 0.00 0.87 0.00 0.00 54.58 54.93 1kds n ASN 289 Cb 0.04 -0.17 -0.06 0.00 -1.02 0.00 0.00 39.78 38.57 1kds n ASN 289 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1kds n LYS 290 N 0.29 3.11 0.00 3.52 4.76 -1.26 -4.32 118.16 124.26 1kds n LYS 290 Ca 0.00 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 1kds n LYS 290 Cb 0.08 -1.04 0.00 0.00 -1.84 0.00 0.00 35.03 32.23 1kds n LYS 290 CO 0.00 0.00 0.00 1.51 -1.37 0.00 0.00 177.40 177.54 1kds n ILE 291 N -1.31 0.00 0.18 -0.18 3.06 -0.32 -4.45 119.36 116.34 1kds n ILE 291 Ca 0.02 0.00 0.08 0.00 -2.50 0.00 0.00 62.75 60.34 1kds n ILE 291 Cb 0.18 -0.13 0.09 0.00 0.54 0.00 0.00 39.64 40.32 1kds n ILE 291 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1kds h ALA 292 N 0.00 0.83 0.00 1.51 0.00 -1.45 -3.34 119.26 116.82 1kds h ALA 292 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1kds h ALA 292 Cb 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1kds h ALA 292 CO 0.00 0.29 -1.75 1.28 0.00 0.00 0.00 179.25 179.07 1kds n LEU 293 N -3.13 0.04 -4.54 0.00 4.32 -1.26 -4.62 117.00 107.82 1kds n LEU 293 Ca 0.03 -0.03 -0.29 0.00 -0.02 0.00 0.00 56.01 55.70 1kds n LEU 293 Cb 0.63 0.00 0.23 0.00 -1.62 0.00 0.00 43.42 42.66 1kds n LEU 293 CO 0.37 0.01 0.56 0.00 -1.22 0.00 0.00 177.39 177.11 1kds s ALA 294 N -3.19 -0.04 -0.24 -1.18 0.00 -1.25 -4.23 121.76 111.62 1kds s ALA 294 Ca -0.06 -0.01 -0.25 0.00 0.00 0.00 0.00 51.96 51.64 1kds s ALA 294 Cb 0.11 -3.27 -0.00 0.00 0.00 0.00 0.00 23.12 19.96 1kds s ALA 294 CO 0.73 -3.59 0.87 0.00 0.00 0.00 0.00 175.76 173.77 1kds s ALA 295 N -2.53 3.65 -0.04 0.00 0.00 -1.26 -4.60 121.76 116.98 1kds s ALA 295 Ca 0.68 -0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.56 1kds s ALA 295 Cb -0.24 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.55 1kds s ALA 295 CO 0.63 -0.97 -0.06 1.03 0.00 0.00 0.00 175.76 176.38 1kds s ARG 296 N 2.93 0.93 0.50 0.00 0.52 -0.91 -4.97 118.95 117.95 1kds s ARG 296 Ca 0.37 -0.18 -0.23 0.00 -0.52 0.00 0.00 55.73 55.16 1kds s ARG 296 Cb -0.15 -0.88 -0.06 0.00 0.52 0.00 0.00 34.95 34.37 1kds s ARG 296 CO 0.07 -0.02 1.35 -2.14 0.02 0.00 0.00 175.30 174.59 1kds s PRO 297 N 0.69 3.43 0.19 3.54 0.02 -1.26 -0.19 135.00 141.42 1kds s PRO 297 Ca -0.10 2.23 0.11 0.00 0.02 0.00 0.00 61.00 63.27 1kds s PRO 297 Cb -0.13 -2.43 -0.04 0.00 0.02 0.00 0.00 34.50 31.92 1kds s PRO 297 CO 0.01 -0.96 -0.24 0.14 -0.33 0.00 0.00 177.00 175.62 1kds s VAL 298 N -1.30 2.34 -0.13 3.83 -7.23 -0.84 -4.67 120.40 112.40 1kds s VAL 298 Ca 0.66 -2.02 0.01 0.00 -1.81 0.00 0.00 61.98 58.83 1kds s VAL 298 Cb -0.40 -2.11 -0.01 0.00 0.56 0.00 0.00 36.38 34.42 1kds s VAL 298 CO 0.49 -0.11 -0.16 -0.75 -0.31 0.00 0.00 175.10 174.26 1kds s LYS 299 N -2.64 3.28 0.32 4.82 2.20 -0.37 -4.85 119.74 122.51 1kds s LYS 299 Ca 0.20 -0.74 -0.27 0.00 -0.36 0.00 0.00 55.97 54.80 1kds s LYS 299 Cb -0.08 -2.55 -0.10 0.00 -1.51 0.00 0.00 37.83 33.60 1kds s LYS 299 CO 0.10 0.18 0.98 0.00 -0.36 0.00 0.00 175.35 176.25 1kds s ALA 300 N 0.40 3.23 -0.42 3.13 0.00 -1.26 -0.94 121.76 125.90 1kds s ALA 300 Ca -0.12 0.61 -0.10 0.00 0.00 0.00 0.00 51.96 52.34 1kds s ALA 300 Cb -0.16 -3.22 0.07 0.00 0.00 0.00 0.00 23.12 19.81 1kds s ALA 300 CO 0.06 0.08 0.26 0.42 0.00 0.00 0.00 175.76 176.58 1kds s ILE 301 N -1.51 4.39 -0.24 0.00 1.01 -0.89 -4.90 121.20 119.06 1kds s ILE 301 Ca 0.50 -1.27 0.01 0.00 0.00 0.00 0.00 60.65 59.89 1kds s ILE 301 Cb -0.22 -3.64 0.04 0.00 0.01 0.00 0.00 42.46 38.66 1kds s ILE 301 CO 0.27 -0.47 -0.12 0.28 0.00 0.00 0.00 174.94 174.91 1kds s THR 302 N 1.47 2.33 0.66 2.92 -1.32 -1.26 -1.81 115.64 118.62 1kds s THR 302 Ca 0.03 -1.33 -0.09 0.00 -1.21 0.00 0.00 61.69 59.09 1kds s THR 302 Cb -0.22 -2.24 0.02 0.00 -1.51 0.00 0.00 72.50 68.54 1kds s THR 302 CO 0.03 0.15 1.01 -2.16 -2.21 0.00 0.00 174.62 171.44 1kds s PRO 303 N 1.20 2.82 0.41 7.08 0.04 -1.26 -5.10 135.00 140.20 1kds s PRO 303 Ca -0.04 0.20 -0.25 0.00 0.04 0.00 0.00 61.00 60.95 1kds s PRO 303 Cb -0.18 -2.14 -0.10 0.00 0.04 0.00 0.00 34.50 32.12 1kds s PRO 303 CO -0.07 -0.91 1.15 -2.30 0.04 0.00 0.00 177.00 174.92 1kds n PRO 304 N -2.82 1.66 -2.76 0.56 -0.02 -0.75 -4.94 135.00 125.93 1kds n PRO 304 Ca 0.06 0.59 -0.42 0.00 -2.02 0.00 0.00 63.50 61.71 1kds n PRO 304 Cb 0.58 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 1kds n PRO 304 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1kds s THR 305 N -1.22 4.87 0.89 3.45 2.01 -1.06 -4.84 115.64 119.74 1kds s THR 305 Ca 0.62 1.94 -0.11 0.00 0.31 0.00 0.00 61.69 64.45 1kds s THR 305 Cb -0.54 -4.27 0.12 0.00 0.01 0.00 0.00 72.50 67.82 1kds s THR 305 CO 0.58 0.12 1.08 -2.65 -0.69 0.00 0.00 174.62 173.05 1kds n PRO 306 N 4.32 -0.28 -1.69 4.92 -0.02 -1.26 -1.00 135.00 139.99 1kds n PRO 306 Ca 0.06 -0.01 -0.65 0.00 -2.02 0.00 0.00 63.50 60.88 1kds n PRO 306 Cb 0.50 -2.33 -0.09 0.00 -0.02 0.00 0.00 33.50 31.56 1kds n PRO 306 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kds n ALA 307 N -3.94 -1.69 -2.53 3.55 0.00 -1.26 -4.70 120.51 109.94 1kds n ALA 307 Ca 0.12 0.51 -0.41 0.00 0.00 0.00 0.00 53.44 53.65 1kds n ALA 307 Cb 0.52 -1.93 -0.09 0.00 0.00 0.00 0.00 19.45 17.95 1kds n ALA 307 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1kds s VAL 308 N 2.37 5.14 0.36 0.00 1.01 -1.26 -4.97 120.40 123.04 1kds s VAL 308 Ca 1.01 0.00 0.09 0.00 0.00 0.00 0.00 61.98 63.08 1kds s VAL 308 Cb -1.39 -3.87 0.32 0.00 0.00 0.00 0.00 36.38 31.44 1kds s VAL 308 CO 0.74 -0.16 1.87 -0.09 0.00 0.00 0.00 175.10 177.46 1kds h ARG 309 N 8.51 0.68 -3.11 2.72 2.43 -1.98 -3.15 114.38 120.48 1kds h ARG 309 Ca -0.29 -0.04 -0.74 0.00 -0.81 0.00 0.00 59.98 58.10 1kds h ARG 309 Cb 1.14 -0.15 -0.11 0.00 -0.42 0.00 0.00 29.97 30.42 1kds h ARG 309 CO 0.72 0.45 2.50 0.00 -1.51 0.00 0.00 179.97 182.12 1kds n ALA 310 N -2.43 6.25 -2.18 2.80 0.00 -1.26 -1.08 120.51 122.62 1kds n ALA 310 Ca 0.17 -4.09 -0.11 0.00 0.00 0.00 0.00 53.44 49.41 1kds n ALA 310 Cb 0.45 -2.98 -0.10 0.00 0.00 0.00 0.00 19.45 16.82 1kds n ALA 310 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1kds s SER 311 N 0.98 1.09 -0.41 0.00 0.01 -1.19 -1.69 113.70 112.48 1kds s SER 311 Ca 0.50 -1.04 -0.08 0.00 1.31 0.00 0.00 55.95 56.64 1kds s SER 311 Cb 0.15 0.11 0.08 0.00 0.21 0.00 0.00 66.02 66.57 1kds s SER 311 CO -0.05 -0.50 0.24 0.86 0.41 0.00 0.00 173.24 174.20 1kds s TRP 312 N -3.66 3.36 -0.20 2.43 -0.11 0.10 -4.04 118.94 116.82 1kds s TRP 312 Ca 0.14 -1.66 -0.09 0.00 1.22 0.00 0.00 56.10 55.71 1kds s TRP 312 Cb 0.06 -2.96 -0.05 0.00 -1.50 0.00 0.00 33.47 29.01 1kds s TRP 312 CO -0.03 -0.87 0.12 0.08 -4.62 0.00 0.00 176.95 171.63 1kds s VAL 313 N 1.38 5.26 0.33 5.86 1.01 -0.45 -1.92 120.40 131.86 1kds s VAL 313 Ca 0.03 0.14 -0.14 0.00 0.00 0.00 0.00 61.98 62.01 1kds s VAL 313 Cb -0.23 -3.40 0.03 0.00 0.00 0.00 0.00 36.38 32.78 1kds s VAL 313 CO 0.01 0.43 0.66 -1.38 0.00 0.00 0.00 175.10 174.82 1kds s HIS 314 N 0.46 0.25 -0.29 5.22 -3.43 -0.49 -0.82 115.29 116.20 1kds s HIS 314 Ca 0.07 -0.74 -0.19 0.00 -0.80 0.00 0.00 55.06 53.40 1kds s HIS 314 Cb -0.12 0.52 0.13 0.00 -1.43 0.00 0.00 32.58 31.68 1kds s HIS 314 CO -0.01 -1.31 0.93 0.21 -2.00 0.00 0.00 174.74 172.57 1kds s LYS 315 N -3.16 0.48 0.25 -0.38 2.47 -0.69 -2.18 119.74 116.52 1kds s LYS 315 Ca 0.18 0.75 0.04 0.00 -1.56 0.00 0.00 55.97 55.38 1kds s LYS 315 Cb -0.04 0.14 -0.03 0.00 -1.46 0.00 0.00 37.83 36.44 1kds s LYS 315 CO 0.11 -0.09 0.38 0.95 0.16 0.00 0.00 175.35 176.86 1kds s THR 316 N 1.08 5.25 0.00 3.43 -4.23 -1.26 -2.30 115.64 117.60 1kds s THR 316 Ca -0.06 -0.92 -0.15 0.00 -1.18 0.00 0.00 61.69 59.38 1kds s THR 316 Cb -0.04 -3.85 0.02 0.00 1.34 0.00 0.00 72.50 69.97 1kds s THR 316 CO -0.13 -0.34 0.33 -0.83 -0.54 0.00 0.00 174.62 173.10 1kds s GLY 317 N -3.95 -0.17 -0.18 3.99 0.00 -0.74 -3.87 107.32 102.40 1kds s GLY 317 Ca 0.35 0.29 -0.27 0.00 0.00 0.00 0.00 44.72 45.08 1kds s GLY 317 CO 0.30 0.07 0.72 0.00 0.00 0.00 0.00 173.10 174.19 1kds s ALA 318 N -1.67 -1.79 0.19 3.20 0.00 -1.26 -0.78 121.76 119.66 1kds s ALA 318 Ca -0.11 1.74 0.01 0.00 0.00 0.00 0.00 51.96 53.59 1kds s ALA 318 Cb -0.04 -0.72 -0.00 0.00 0.00 0.00 0.00 23.12 22.36 1kds s ALA 318 CO 0.02 -0.35 0.04 0.25 0.00 0.00 0.00 175.76 175.72 1kds n THR 319 N 1.92 0.00 0.03 0.00 -2.24 -0.72 -4.26 114.28 109.01 1kds n THR 319 Ca -0.16 -1.02 0.06 0.00 -2.27 0.00 0.00 64.05 60.66 1kds n THR 319 Cb 0.56 0.30 0.47 0.00 -2.10 0.00 0.00 70.33 69.55 1kds n THR 319 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1kds h GLY 320 N 0.62 0.49 -0.36 3.38 0.00 -1.97 -3.20 103.07 102.03 1kds h GLY 320 Ca -0.15 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1kds h GLY 320 CO 0.25 0.17 0.00 0.61 0.00 0.00 0.00 176.54 177.57 1kds n GLY 321 N -1.49 0.44 3.15 4.60 0.00 -1.26 -4.52 105.19 106.12 1kds n GLY 321 Ca 0.03 -0.12 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 1kds n GLY 321 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kds s PHE 322 N -0.58 1.11 -0.08 1.61 0.40 -1.21 -0.95 117.98 118.28 1kds s PHE 322 Ca 0.06 -0.48 -0.00 0.00 -0.60 0.00 0.00 56.93 55.91 1kds s PHE 322 Cb 0.04 -0.63 0.02 0.00 0.51 0.00 0.00 43.02 42.96 1kds s PHE 322 CO 0.05 0.03 -0.04 0.20 0.70 0.00 0.00 175.22 176.16 1kds s GLY 323 N -1.75 0.61 0.22 4.36 0.00 -0.61 -1.76 107.32 108.37 1kds s GLY 323 Ca -0.03 -0.27 0.06 0.00 0.00 0.00 0.00 44.72 44.48 1kds s GLY 323 CO 0.02 0.82 -0.09 -1.35 0.00 0.00 0.00 173.10 172.50 1kds s SER 324 N 1.59 2.35 -0.26 1.64 1.04 0.04 -1.63 113.70 118.47 1kds s SER 324 Ca 0.00 -1.09 -0.20 0.00 0.48 0.00 0.00 55.95 55.14 1kds s SER 324 Cb -0.13 -0.10 0.07 0.00 0.10 0.00 0.00 66.02 65.96 1kds s SER 324 CO -0.05 -0.30 0.67 -0.47 0.98 0.00 0.00 173.24 174.07 1kds s TYR 325 N -3.12 -0.84 -0.02 5.02 5.04 -0.58 -1.78 117.35 121.07 1kds s TYR 325 Ca 0.24 1.89 0.03 0.00 -2.44 0.00 0.00 57.07 56.79 1kds s TYR 325 Cb 0.02 0.38 -0.00 0.00 0.35 0.00 0.00 41.96 42.71 1kds s TYR 325 CO 0.07 -0.41 -0.09 0.08 -1.34 0.00 0.00 175.55 173.86 1kds s VAL 326 N 0.83 0.78 -0.20 3.14 1.01 -0.97 -0.85 120.40 124.13 1kds s VAL 326 Ca -0.04 -0.38 -0.18 0.00 0.00 0.00 0.00 61.98 61.38 1kds s VAL 326 Cb -0.05 -0.68 0.05 0.00 0.00 0.00 0.00 36.38 35.71 1kds s VAL 326 CO -0.07 0.23 0.54 0.00 0.00 0.00 0.00 175.10 175.81 1kds s ALA 327 N 0.04 -1.34 0.04 5.51 0.00 -0.89 -1.71 121.76 123.41 1kds s ALA 327 Ca -0.01 1.56 -0.17 0.00 0.00 0.00 0.00 51.96 53.34 1kds s ALA 327 Cb -0.07 -0.91 0.03 0.00 0.00 0.00 0.00 23.12 22.18 1kds s ALA 327 CO 0.00 -0.26 0.38 -0.59 0.00 0.00 0.00 175.76 175.29 1kds s PHE 328 N 0.37 -0.21 -0.31 0.00 -0.12 0.00 -0.35 117.98 117.36 1kds s PHE 328 Ca -0.01 0.14 0.03 0.00 -0.05 0.00 0.00 56.93 57.04 1kds s PHE 328 Cb -0.04 0.18 0.09 0.00 -0.63 0.00 0.00 43.02 42.62 1kds s PHE 328 CO -0.00 -0.55 0.01 0.42 -0.05 0.00 0.00 175.22 175.05 1kds s ILE 329 N -2.50 1.98 0.20 -4.49 1.01 0.92 -1.34 121.20 116.99 1kds s ILE 329 Ca -0.05 -1.95 -0.10 0.00 0.00 0.00 0.00 60.65 58.54 1kds s ILE 329 Cb -0.01 -2.37 0.15 0.00 0.01 0.00 0.00 42.46 40.24 1kds s ILE 329 CO -0.03 -0.44 1.72 -0.65 0.00 0.00 0.00 174.94 175.54 1kds h PRO 330 N 7.75 0.28 -0.19 2.79 0.11 -1.70 -1.88 132.00 139.16 1kds h PRO 330 Ca -0.10 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.05 1kds h PRO 330 Cb 1.03 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1kds h PRO 330 CO 0.49 0.19 0.17 1.49 -0.21 0.00 0.00 178.00 180.13 1kds h GLU 331 N 0.29 0.00 -0.02 1.05 4.81 -1.42 -1.77 114.58 117.52 1kds h GLU 331 Ca 0.30 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1kds h GLU 331 Cb 0.42 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1kds h GLU 331 CO -0.36 0.00 -0.09 1.63 -0.73 0.00 0.00 179.01 179.45 1kds n LYS 332 N -4.05 1.68 -3.73 1.92 4.76 -0.77 -4.95 118.16 113.01 1kds n LYS 332 Ca 0.02 -1.49 -0.28 0.00 -2.87 0.00 0.00 58.31 53.69 1kds n LYS 332 Cb 0.30 -1.37 0.03 0.00 -1.84 0.00 0.00 35.03 32.15 1kds n LYS 332 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1kds n GLU 333 N 0.83 -5.39 -5.08 1.97 1.02 -0.67 -4.58 120.64 108.74 1kds n GLU 333 Ca 0.11 0.63 -0.31 0.00 -0.02 0.00 0.00 57.16 57.57 1kds n GLU 333 Cb 0.47 -5.51 -0.15 0.00 -0.02 0.00 0.00 31.44 26.23 1kds n GLU 333 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1kds s LEU 334 N -7.13 2.24 0.20 -4.62 2.96 -1.09 -2.46 118.68 108.78 1kds s LEU 334 Ca 0.60 -0.46 -0.23 0.00 -0.22 0.00 0.00 54.13 53.82 1kds s LEU 334 Cb -0.29 -1.38 0.05 0.00 0.50 0.00 0.00 46.19 45.07 1kds s LEU 334 CO 0.73 0.30 0.81 -0.83 -1.32 0.00 0.00 176.35 176.04 1kds s GLY 335 N -0.88 -0.23 -0.02 7.98 0.00 -0.81 -0.05 107.32 113.31 1kds s GLY 335 Ca 0.11 0.03 -0.21 0.00 0.00 0.00 0.00 44.72 44.65 1kds s GLY 335 CO 0.01 0.00 0.45 -1.50 0.00 0.00 0.00 173.10 172.06 1kds s ILE 336 N -3.61 0.04 -0.04 0.90 2.07 0.52 -1.07 121.20 120.01 1kds s ILE 336 Ca 0.10 -0.30 0.01 0.00 -1.41 0.00 0.00 60.65 59.05 1kds s ILE 336 Cb -0.03 -0.78 0.02 0.00 0.13 0.00 0.00 42.46 41.80 1kds s ILE 336 CO 0.02 -0.16 -0.02 -0.69 -1.91 0.00 0.00 174.94 172.17 1kds s VAL 337 N -1.35 0.38 -0.17 4.00 1.01 -0.40 -2.09 120.40 121.77 1kds s VAL 337 Ca -0.12 -0.03 -0.00 0.00 0.00 0.00 0.00 61.98 61.83 1kds s VAL 337 Cb -0.03 -0.44 0.04 0.00 0.00 0.00 0.00 36.38 35.95 1kds s VAL 337 CO 0.06 0.19 -0.07 -0.04 0.00 0.00 0.00 175.10 175.24 1kds s MET 338 N 0.99 1.64 -0.13 2.72 -1.94 -0.03 -1.46 119.30 121.09 1kds s MET 338 Ca -0.10 -0.61 0.01 0.00 -1.71 0.00 0.00 55.69 53.28 1kds s MET 338 Cb -0.14 -2.13 -0.00 0.00 2.01 0.00 0.00 34.83 34.57 1kds s MET 338 CO -0.01 -0.42 -0.18 -0.51 -0.01 0.00 0.00 175.02 173.89 1kds s LEU 339 N 1.56 2.40 0.03 -0.03 1.43 0.01 -1.52 118.68 122.57 1kds s LEU 339 Ca 0.00 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 52.65 1kds s LEU 339 Cb -0.15 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 1kds s LEU 339 CO -0.08 0.12 -0.06 0.00 0.23 0.00 0.00 176.35 176.56 1kds s ALA 340 N 0.57 0.44 -0.85 4.21 0.00 -0.65 -0.79 121.76 124.69 1kds s ALA 340 Ca -0.10 -0.66 -0.02 0.00 0.00 0.00 0.00 51.96 51.17 1kds s ALA 340 Cb -0.16 0.06 0.30 0.00 0.00 0.00 0.00 23.12 23.31 1kds s ALA 340 CO 0.04 -0.04 2.10 0.27 0.00 0.00 0.00 175.76 178.12 1kds n ASN 341 N 1.65 7.39 -3.64 0.00 6.94 -1.12 -1.58 115.26 124.90 1kds n ASN 341 Ca -0.22 -3.71 -0.05 0.00 -0.02 0.00 0.00 54.58 50.59 1kds n ASN 341 Cb 0.55 -1.12 -0.07 0.00 -2.36 0.00 0.00 39.78 36.78 1kds n ASN 341 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1kds s LYS 342 N -3.73 0.56 -0.66 -3.83 2.20 -0.12 -2.17 119.74 111.99 1kds s LYS 342 Ca 0.50 0.98 -0.23 0.00 -0.36 0.00 0.00 55.97 56.86 1kds s LYS 342 Cb 0.38 0.12 0.06 0.00 -1.51 0.00 0.00 37.83 36.88 1kds s LYS 342 CO -0.33 -0.12 1.01 1.21 -0.36 0.00 0.00 175.35 176.76 1kds s ASN 343 N 1.53 6.19 0.28 1.43 2.47 -1.26 -2.74 114.94 122.84 1kds s ASN 343 Ca -0.09 -0.85 0.09 0.00 0.42 0.00 0.00 52.86 52.43 1kds s ASN 343 Cb -0.04 -2.44 -0.04 0.00 -1.45 0.00 0.00 41.25 37.27 1kds s ASN 343 CO -0.18 -1.48 0.06 -0.72 -3.72 0.00 0.00 177.10 171.06 1kds s TYR 344 N 4.30 2.76 -0.01 0.43 1.13 -1.26 -4.97 117.35 119.73 1kds s TYR 344 Ca 0.25 -0.24 -0.39 0.00 -1.41 0.00 0.00 57.07 55.28 1kds s TYR 344 Cb -0.15 -1.32 -0.19 0.00 -1.10 0.00 0.00 41.96 39.20 1kds s TYR 344 CO 0.12 0.55 1.20 -2.30 -2.51 0.00 0.00 175.55 172.61 1kds n PRO 345 N -0.99 0.38 -0.23 -3.49 -0.02 -1.26 -4.90 135.00 124.49 1kds n PRO 345 Ca -0.06 0.14 -0.01 0.00 -2.02 0.00 0.00 63.50 61.55 1kds n PRO 345 Cb 0.59 -1.69 0.11 0.00 -0.02 0.00 0.00 33.50 32.49 1kds n PRO 345 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1kds h ASN 346 N 3.71 0.50 -0.71 2.55 2.35 -1.97 -2.07 115.58 119.94 1kds h ASN 346 Ca -0.49 0.04 0.11 0.00 -0.55 0.00 0.00 56.30 55.41 1kds h ASN 346 Cb 1.39 -0.05 -0.05 0.00 0.05 0.00 0.00 38.32 39.67 1kds h ASN 346 CO 0.72 0.31 0.47 -0.65 -1.65 0.00 0.00 177.43 176.63 1kds h PRO 347 N 0.64 0.50 -0.52 0.81 0.11 -1.89 0.63 132.00 132.27 1kds h PRO 347 Ca 0.31 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.32 1kds h PRO 347 Cb 0.25 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.22 1kds h PRO 347 CO -0.21 0.33 0.05 0.00 -0.21 0.00 0.00 178.00 177.96 1kds h ALA 348 N 1.65 1.11 0.27 -0.75 0.00 -1.74 -0.23 119.26 119.56 1kds h ALA 348 Ca 0.34 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1kds h ALA 348 Cb 0.61 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1kds h ALA 348 CO -0.11 0.58 -0.13 0.00 0.00 0.00 0.00 179.25 179.59 1kds h ARG 349 N 0.80 -0.35 -0.72 0.00 3.08 -0.81 -2.35 114.38 114.03 1kds h ARG 349 Ca 0.16 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1kds h ARG 349 Cb 0.41 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.50 1kds h ARG 349 CO 0.01 -0.02 0.46 0.28 -1.07 0.00 0.00 179.97 179.63 1kds h VAL 350 N -0.72 1.19 -0.19 2.04 2.07 -1.18 -1.03 116.25 118.42 1kds h VAL 350 Ca -0.04 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1kds h VAL 350 Cb 0.49 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1kds h VAL 350 CO 0.06 0.19 0.07 -0.78 0.02 0.00 0.00 177.57 177.13 1kds h ASP 351 N 0.98 0.28 -0.54 0.57 -0.00 -1.01 -0.70 116.42 116.00 1kds h ASP 351 Ca 0.26 -0.19 -0.04 0.00 -0.00 0.00 0.00 57.03 57.07 1kds h ASP 351 Cb -0.09 -0.07 -0.02 0.00 -0.00 0.00 0.00 39.33 39.15 1kds h ASP 351 CO -0.05 0.39 0.18 0.00 -0.00 0.00 0.00 179.24 179.76 1kds h ALA 352 N 0.90 0.70 -0.48 -0.78 0.00 -1.11 -2.04 119.26 116.45 1kds h ALA 352 Ca 0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1kds h ALA 352 Cb 0.20 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1kds h ALA 352 CO -0.00 0.35 0.28 0.00 0.00 0.00 0.00 179.25 179.88 1kds h ALA 353 N 1.04 0.61 -0.41 0.00 0.00 -1.06 -2.20 119.26 117.24 1kds h ALA 353 Ca 0.18 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1kds h ALA 353 Cb 0.26 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1kds h ALA 353 CO -0.01 0.10 0.20 2.35 0.00 0.00 0.00 179.25 181.89 1kds h TRP 354 N 0.63 0.58 0.04 0.00 7.01 -1.00 -1.09 115.95 122.12 1kds h TRP 354 Ca 0.17 -0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.16 1kds h TRP 354 Cb 0.00 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 26.86 1kds h TRP 354 CO -0.03 0.48 -0.15 1.96 -2.79 0.00 0.00 178.44 177.91 1kds h GLN 355 N 0.52 -0.26 0.11 2.65 7.50 -1.17 0.33 115.11 124.79 1kds h GLN 355 Ca 0.14 0.02 -0.00 0.00 0.50 0.00 0.00 58.65 59.30 1kds h GLN 355 Cb 0.11 0.06 -0.00 0.00 0.05 0.00 0.00 27.48 27.70 1kds h GLN 355 CO -0.02 -0.17 -0.07 0.82 -1.50 0.00 0.00 178.83 177.90 1kds h ILE 356 N -0.26 0.86 -0.47 2.54 2.04 -1.30 -2.10 117.51 118.81 1kds h ILE 356 Ca 0.04 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.79 1kds h ILE 356 Cb 0.31 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1kds h ILE 356 CO -0.12 0.00 -0.13 -0.07 0.00 0.00 0.00 178.15 177.84 1kds h LEU 357 N -0.17 0.88 -0.79 1.44 4.07 -1.07 -2.90 115.31 116.77 1kds h LEU 357 Ca -0.01 -0.28 -0.06 0.00 0.08 0.00 0.00 57.88 57.60 1kds h LEU 357 Cb 0.14 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 41.61 1kds h LEU 357 CO 0.01 1.02 0.21 -1.13 -1.08 0.00 0.00 178.44 177.47 1kds h ASN 358 N 0.79 1.05 0.18 -0.43 -0.00 -0.27 -2.62 115.58 114.27 1kds h ASN 358 Ca 0.12 -0.20 -0.03 0.00 -0.00 0.00 0.00 56.30 56.19 1kds h ASN 358 Cb 0.65 -0.27 -0.00 0.00 -0.00 0.00 0.00 38.32 38.69 1kds h ASN 358 CO 0.05 0.98 -0.16 0.00 -0.00 0.00 0.00 177.43 178.30 1kds h ALA 359 N 1.16 1.66 -0.42 1.57 0.00 -1.19 -1.90 119.26 120.14 1kds h ALA 359 Ca 0.23 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1kds h ALA 359 Cb 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1kds h ALA 359 CO -0.01 0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.72 1kds n LEU 360 N -4.24 3.05 0.00 0.00 4.77 -0.99 -5.12 117.00 114.47 1kds n LEU 360 Ca -0.02 -1.54 0.00 0.00 -0.03 0.00 0.00 56.01 54.42 1kds n LEU 360 Cb 0.23 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1kds n LEU 360 CO 0.35 0.56 0.00 0.00 -1.33 0.00 0.00 177.39 176.97