#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 0.83 -0.05 0.00 -0.02 -1.26 -4.72 135.00 129.78 1kds n PRO 5 Ca 0.00 0.31 0.10 0.00 -2.02 0.00 0.00 63.50 61.89 1kds n PRO 5 Cb 0.00 -1.80 0.49 0.00 -0.02 0.00 0.00 33.50 32.17 1kds n PRO 5 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 1kds h GLN 6 N 0.84 0.40 -0.29 -0.52 -0.00 -2.05 -2.22 115.11 111.27 1kds h GLN 6 Ca -0.44 -0.02 0.05 0.00 -0.00 0.00 0.00 58.65 58.23 1kds h GLN 6 Cb 1.38 -0.09 -0.04 0.00 -0.00 0.00 0.00 27.48 28.72 1kds h GLN 6 CO 0.52 0.27 0.02 -0.56 -0.00 0.00 0.00 178.83 179.08 1kds h GLN 7 N 0.41 0.11 -0.17 0.06 -0.00 -2.00 -0.39 115.11 113.13 1kds h GLN 7 Ca 0.24 -0.01 -0.21 0.00 -0.00 0.00 0.00 58.65 58.66 1kds h GLN 7 Cb 0.40 -0.03 0.01 0.00 -0.00 0.00 0.00 27.48 27.86 1kds h GLN 7 CO -0.06 0.08 -0.74 0.82 -0.00 0.00 0.00 178.83 178.93 1kds h ILE 8 N 0.12 1.28 -1.01 1.86 2.04 -1.77 -3.06 117.51 116.97 1kds h ILE 8 Ca 0.14 -1.94 0.03 0.00 1.00 0.00 0.00 64.86 64.09 1kds h ILE 8 Cb 0.16 1.92 -0.06 0.00 -0.74 0.00 0.00 36.82 38.11 1kds h ILE 8 CO -0.21 0.62 0.66 0.78 0.00 0.00 0.00 178.15 180.00 1kds h ASN 9 N 0.55 1.11 0.49 1.72 -0.26 -1.15 -2.16 115.58 115.89 1kds h ASN 9 Ca -0.04 -0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.66 1kds h ASN 9 Cb 1.36 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 38.36 1kds h ASN 9 CO 0.15 0.77 -0.24 0.44 -1.06 0.00 0.00 177.43 177.49 1kds h ASP 10 N 1.29 -0.56 -0.67 5.81 5.19 -1.02 -2.25 116.42 124.21 1kds h ASP 10 Ca 0.40 -0.05 -0.07 0.00 -0.62 0.00 0.00 57.03 56.69 1kds h ASP 10 Cb -0.03 0.14 -0.03 0.00 0.18 0.00 0.00 39.33 39.60 1kds h ASP 10 CO -0.12 -0.29 0.16 0.16 -3.12 0.00 0.00 179.24 176.03 1kds h ILE 11 N -0.82 1.26 0.51 0.35 3.07 -1.48 -0.08 117.51 120.32 1kds h ILE 11 Ca -0.07 -0.96 -0.02 0.00 1.55 0.00 0.00 64.86 65.36 1kds h ILE 11 Cb 0.57 0.56 0.00 0.00 -0.27 0.00 0.00 36.82 37.69 1kds h ILE 11 CO 0.11 0.37 -0.24 0.58 -1.05 0.00 0.00 178.15 177.91 1kds h VAL 12 N 1.03 0.50 -0.34 0.16 2.07 -1.44 0.19 116.25 118.42 1kds h VAL 12 Ca 0.21 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.76 1kds h VAL 12 Cb 0.37 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1kds h VAL 12 CO 0.00 0.00 0.13 -0.74 0.02 0.00 0.00 177.57 176.99 1kds h HIS 13 N -0.69 0.24 -0.02 1.57 -0.00 -1.33 0.48 115.15 115.39 1kds h HIS 13 Ca -0.07 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.25 1kds h HIS 13 Cb 0.53 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 27.87 1kds h HIS 13 CO -0.04 0.11 -0.29 0.00 -0.00 0.00 0.00 177.93 177.71 1kds h ARG 14 N 0.28 0.04 0.01 5.26 3.08 -0.91 -3.11 114.38 119.03 1kds h ARG 14 Ca 0.15 -0.01 -0.38 0.00 0.07 0.00 0.00 59.98 59.81 1kds h ARG 14 Cb 0.11 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.10 1kds h ARG 14 CO -0.14 0.33 -2.14 2.41 -1.07 0.00 0.00 179.97 179.36 1kds n THR 15 N -4.18 1.55 0.00 2.04 -1.04 0.66 -4.54 114.28 108.77 1kds n THR 15 Ca -0.02 -0.33 -0.09 0.00 -2.04 0.00 0.00 64.05 61.57 1kds n THR 15 Cb 0.35 -1.85 -0.07 0.00 -1.82 0.00 0.00 70.33 66.93 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 -0.77 0.87 -0.81 12.58 1.08 -0.20 -3.18 117.51 127.08 1kds h ILE 16 Ca -0.57 -1.40 0.18 0.00 -0.39 0.00 0.00 64.86 62.69 1kds h ILE 16 Cb 1.60 1.56 -0.15 0.00 -3.07 0.00 0.00 36.82 36.77 1kds h ILE 16 CO -0.28 0.26 -0.08 0.74 -0.69 0.00 0.00 178.15 178.11 1kds h THR 17 N -0.93 0.23 -0.72 -0.27 2.02 -1.63 0.23 112.91 111.84 1kds h THR 17 Ca -0.01 -0.02 -0.05 0.00 0.77 0.00 0.00 66.41 67.10 1kds h THR 17 Cb 0.52 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 1kds h THR 17 CO 0.02 0.01 0.26 -0.65 0.37 0.00 0.00 175.52 175.53 1kds h PRO 18 N 0.05 1.08 -0.81 6.66 0.11 -1.74 -2.70 132.00 134.65 1kds h PRO 18 Ca 0.43 -0.20 -0.01 0.00 0.11 0.00 0.00 66.00 66.33 1kds h PRO 18 Cb 0.74 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 31.64 1kds h PRO 18 CO -0.77 0.90 0.47 1.25 -0.21 0.00 0.00 178.00 179.64 1kds h LEU 19 N 1.05 1.00 -0.91 2.35 5.85 -0.62 -0.57 115.31 123.46 1kds h LEU 19 Ca 0.24 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1kds h LEU 19 Cb 0.24 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 1kds h LEU 19 CO -0.02 0.79 0.58 0.40 -0.34 0.00 0.00 178.44 179.85 1kds h ILE 20 N 1.12 1.24 -0.06 4.05 2.04 -0.71 0.73 117.51 125.93 1kds h ILE 20 Ca 0.29 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1kds h ILE 20 Cb -0.01 -0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.00 1kds h ILE 20 CO -0.05 0.24 -0.06 -0.33 0.00 0.00 0.00 178.15 177.95 1kds h GLU 21 N 1.24 0.14 -0.82 2.37 4.39 -1.14 0.49 114.58 121.26 1kds h GLU 21 Ca 0.33 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.98 1kds h GLU 21 Cb -0.10 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.50 1kds h GLU 21 CO -0.07 0.59 0.53 1.96 -1.16 0.00 0.00 179.01 180.86 1kds h GLN 22 N -0.30 1.02 -0.00 2.33 1.08 -0.87 -2.41 115.11 115.96 1kds h GLN 22 Ca 0.01 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1kds h GLN 22 Cb 0.56 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 1kds h GLN 22 CO 0.01 0.68 -0.36 1.04 -0.95 0.00 0.00 178.83 179.25 1kds n GLN 23 N -4.55 0.41 -3.49 1.46 1.13 0.23 -4.96 117.38 107.61 1kds n GLN 23 Ca 0.09 -0.23 -0.19 0.00 -1.94 0.00 0.00 57.00 54.74 1kds n GLN 23 Cb 0.06 -1.50 0.08 0.00 0.11 0.00 0.00 30.24 29.00 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 -1.09 -6.63 -2.80 -1.09 2.85 0.05 -4.95 118.16 104.49 1kds n LYS 24 Ca 0.09 0.82 -0.42 0.00 -1.05 0.00 0.00 58.31 57.75 1kds n LYS 24 Cb 0.34 -5.80 -0.03 0.00 -0.65 0.00 0.00 35.03 28.88 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 -3.38 4.75 0.13 0.58 1.01 -0.53 -4.98 121.20 118.78 1kds s ILE 25 Ca 0.09 1.69 -0.20 0.00 0.00 0.00 0.00 60.65 62.23 1kds s ILE 25 Cb -0.04 -4.21 -0.01 0.00 0.01 0.00 0.00 42.46 38.21 1kds s ILE 25 CO 0.74 -0.16 1.70 -0.65 0.00 0.00 0.00 174.94 176.56 1kds h PRO 26 N 7.69 -0.01 -3.44 2.79 0.11 -1.89 -3.45 132.00 133.80 1kds h PRO 26 Ca -0.22 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.76 1kds h PRO 26 Cb 1.08 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 31.99 1kds h PRO 26 CO 0.92 -0.01 -0.45 0.20 -0.21 0.00 0.00 178.00 178.45 1kds s GLY 27 N -2.65 0.02 -0.09 -0.55 0.00 -1.18 -1.75 107.32 101.12 1kds s GLY 27 Ca -0.13 -0.08 -0.13 0.00 0.00 0.00 0.00 44.72 44.37 1kds s GLY 27 CO 0.69 -0.23 0.35 -0.29 0.00 0.00 0.00 173.10 173.61 1kds s MET 28 N -1.44 0.51 -0.06 2.90 1.75 -0.69 -2.51 119.30 119.77 1kds s MET 28 Ca -0.14 0.26 0.03 0.00 -1.25 0.00 0.00 55.69 54.59 1kds s MET 28 Cb -0.07 0.24 0.01 0.00 2.84 0.00 0.00 34.83 37.85 1kds s MET 28 CO 0.02 -0.10 -0.14 0.00 -0.65 0.00 0.00 175.02 174.15 1kds s ALA 29 N -0.34 1.39 -0.03 4.11 0.00 0.06 -0.97 121.76 125.98 1kds s ALA 29 Ca -0.05 -0.53 0.03 0.00 0.00 0.00 0.00 51.96 51.42 1kds s ALA 29 Cb -0.03 -0.57 -0.00 0.00 0.00 0.00 0.00 23.12 22.52 1kds s ALA 29 CO 0.02 0.17 -0.11 0.08 0.00 0.00 0.00 175.76 175.91 1kds s VAL 30 N 0.47 0.96 -0.10 0.00 1.01 0.17 -1.18 120.40 121.72 1kds s VAL 30 Ca -0.12 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1kds s VAL 30 Cb -0.15 -0.83 0.01 0.00 0.00 0.00 0.00 36.38 35.41 1kds s VAL 30 CO 0.04 0.29 -0.17 0.00 0.00 0.00 0.00 175.10 175.25 1kds s ALA 31 N 0.05 1.80 -0.18 5.51 0.00 -0.54 -0.54 121.76 127.86 1kds s ALA 31 Ca -0.01 -0.78 -0.02 0.00 0.00 0.00 0.00 51.96 51.15 1kds s ALA 31 Cb -0.08 -0.81 -0.01 0.00 0.00 0.00 0.00 23.12 22.22 1kds s ALA 31 CO 0.01 0.03 -0.09 0.08 0.00 0.00 0.00 175.76 175.79 1kds s VAL 32 N 0.78 3.12 -0.35 0.00 1.01 0.15 -0.43 120.40 124.68 1kds s VAL 32 Ca -0.10 -0.60 -0.15 0.00 0.00 0.00 0.00 61.98 61.12 1kds s VAL 32 Cb -0.16 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 1kds s VAL 32 CO 0.01 0.48 0.37 -0.63 0.00 0.00 0.00 175.10 175.32 1kds s ILE 33 N 1.02 5.16 -0.20 2.22 1.09 0.16 -1.21 121.20 129.44 1kds s ILE 33 Ca -0.01 -0.01 0.01 0.00 -1.10 0.00 0.00 60.65 59.55 1kds s ILE 33 Cb -0.15 -3.84 0.03 0.00 -1.06 0.00 0.00 42.46 37.44 1kds s ILE 33 CO -0.01 -0.13 -0.16 -0.47 -0.10 0.00 0.00 174.94 174.07 1kds s TYR 34 N 2.02 2.81 -1.44 3.97 6.14 0.29 -1.54 117.35 129.60 1kds s TYR 34 Ca 0.12 -1.78 -0.11 0.00 0.64 0.00 0.00 57.07 55.94 1kds s TYR 34 Cb -0.17 -1.87 0.05 0.00 0.42 0.00 0.00 41.96 40.40 1kds s TYR 34 CO 0.12 -0.81 1.07 1.04 0.64 0.00 0.00 175.55 177.61 1kds n GLN 35 N 4.59 -6.66 0.00 4.97 6.02 -0.95 -2.13 117.38 123.22 1kds n GLN 35 Ca -0.18 0.71 0.00 0.00 -0.01 0.00 0.00 57.00 57.52 1kds n GLN 35 Cb 0.48 -5.67 0.00 0.00 1.02 0.00 0.00 30.24 26.06 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 -1.83 2.42 3.63 1.08 0.00 -1.05 -5.03 105.19 104.42 1kds n GLY 36 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.23 2.81 0.15 1.61 2.20 -0.90 -5.03 119.74 120.36 1kds s LYS 37 Ca 0.00 -0.53 -0.16 0.00 -0.36 0.00 0.00 55.97 54.92 1kds s LYS 37 Cb 0.00 -2.66 -0.07 0.00 -1.51 0.00 0.00 37.83 33.59 1kds s LYS 37 CO 0.00 0.67 0.60 -1.25 -0.36 0.00 0.00 175.35 175.00 1kds s PRO 38 N -1.00 4.08 -0.05 4.03 0.04 -1.26 -0.55 135.00 140.29 1kds s PRO 38 Ca 0.14 0.62 0.02 0.00 0.04 0.00 0.00 61.00 61.82 1kds s PRO 38 Cb -0.11 -2.96 0.02 0.00 0.04 0.00 0.00 34.50 31.48 1kds s PRO 38 CO 0.04 0.48 -0.08 0.71 0.04 0.00 0.00 177.00 178.19 1kds s TYR 39 N -1.43 1.06 0.09 0.56 2.02 -0.35 -4.95 117.35 114.35 1kds s TYR 39 Ca 0.38 -0.35 0.04 0.00 -0.37 0.00 0.00 57.07 56.78 1kds s TYR 39 Cb -0.16 -0.83 -0.04 0.00 -0.40 0.00 0.00 41.96 40.53 1kds s TYR 39 CO 0.20 -0.22 0.03 0.71 -1.57 0.00 0.00 175.55 174.70 1kds s TYR 40 N 0.76 3.06 -0.01 2.71 1.51 -1.26 -0.67 117.35 123.45 1kds s TYR 40 Ca -0.13 0.01 0.00 0.00 -1.01 0.00 0.00 57.07 55.94 1kds s TYR 40 Cb -0.15 -1.56 0.01 0.00 -0.11 0.00 0.00 41.96 40.15 1kds s TYR 40 CO 0.02 0.50 0.00 -0.06 -1.11 0.00 0.00 175.55 174.90 1kds s PHE 41 N -1.37 0.05 0.06 2.71 0.40 0.30 -4.99 117.98 115.14 1kds s PHE 41 Ca 0.27 0.03 0.03 0.00 -0.60 0.00 0.00 56.93 56.66 1kds s PHE 41 Cb -0.12 -0.10 -0.03 0.00 0.51 0.00 0.00 43.02 43.28 1kds s PHE 41 CO 0.20 -0.03 -0.10 0.95 0.70 0.00 0.00 175.22 176.94 1kds s THR 42 N 0.32 0.77 0.04 0.64 -4.23 -1.26 -0.65 115.64 111.27 1kds s THR 42 Ca -0.03 -1.32 -0.10 0.00 -1.18 0.00 0.00 61.69 59.07 1kds s THR 42 Cb -0.04 -0.96 0.01 0.00 1.34 0.00 0.00 72.50 72.84 1kds s THR 42 CO -0.01 -0.42 0.21 0.26 -0.54 0.00 0.00 174.62 174.12 1kds s TRP 43 N -1.75 0.04 0.00 3.99 0.51 -0.15 -5.00 118.94 116.58 1kds s TRP 43 Ca -0.03 -0.26 0.00 0.00 -2.12 0.00 0.00 56.10 53.69 1kds s TRP 43 Cb -0.07 -0.01 0.00 0.00 -0.81 0.00 0.00 33.47 32.57 1kds s TRP 43 CO 0.00 -0.45 0.00 0.41 -0.51 0.00 0.00 176.95 176.41 1kds n GLY 44 N 0.63 0.93 3.59 0.98 0.00 -1.26 -1.70 105.19 108.36 1kds n GLY 44 Ca -0.19 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 44.83 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 2.81 -0.12 1.61 4.12 -0.71 -2.22 117.35 122.84 1kds s TYR 45 Ca 0.00 -0.11 0.16 0.00 0.02 0.00 0.00 57.07 57.14 1kds s TYR 45 Cb 0.00 -1.50 -0.15 0.00 -1.52 0.00 0.00 41.96 38.79 1kds s TYR 45 CO 0.00 0.41 0.79 0.00 0.02 0.00 0.00 175.55 176.77 1kds n ALA 46 N 0.99 1.89 -3.46 3.71 0.00 0.16 -3.09 120.51 120.72 1kds n ALA 46 Ca -0.14 -0.57 -0.22 0.00 0.00 0.00 0.00 53.44 52.51 1kds n ALA 46 Cb 0.52 -0.94 -0.12 0.00 0.00 0.00 0.00 19.45 18.91 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 -5.79 2.50 0.09 0.00 -1.08 -1.11 -1.10 116.67 110.18 1kds s ASP 47 Ca -0.03 -0.99 -0.28 0.00 -0.52 0.00 0.00 52.55 50.73 1kds s ASP 47 Cb 0.09 0.13 -0.13 0.00 -1.46 0.00 0.00 42.92 41.54 1kds s ASP 47 CO 0.81 -0.41 1.65 0.40 0.52 0.00 0.00 175.17 178.14 1kds h ILE 48 N 6.33 0.50 -0.64 4.11 2.04 -1.84 0.30 117.51 128.31 1kds h ILE 48 Ca -0.16 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.80 1kds h ILE 48 Cb 1.05 0.50 -0.08 0.00 -0.74 0.00 0.00 36.82 37.55 1kds h ILE 48 CO 0.38 0.00 0.24 0.00 0.00 0.00 0.00 178.15 178.77 1kds h ALA 49 N 0.10 0.84 -0.01 1.87 0.00 -1.97 0.36 119.26 120.45 1kds h ALA 49 Ca -0.02 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1kds h ALA 49 Cb 0.48 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1kds h ALA 49 CO -0.01 -0.19 -0.05 0.36 0.00 0.00 0.00 179.25 179.36 1kds n LYS 50 N -4.99 1.14 -3.98 0.00 0.00 -1.13 -4.92 118.16 104.27 1kds n LYS 50 Ca 0.10 -0.44 -0.30 0.00 -0.00 0.00 0.00 58.31 57.66 1kds n LYS 50 Cb 0.30 -1.49 0.01 0.00 -0.00 0.00 0.00 35.03 33.84 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 -0.54 -4.56 -3.12 -1.58 5.02 0.87 -4.93 118.16 109.32 1kds n LYS 51 Ca 0.19 0.52 -0.39 0.00 -2.02 0.00 0.00 58.31 56.60 1kds n LYS 51 Cb 0.26 -5.24 -0.05 0.00 -0.02 0.00 0.00 35.03 29.98 1kds n LYS 51 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1kds s GLN 52 N -6.63 4.34 0.53 1.97 -1.52 -0.16 -4.98 119.66 113.21 1kds s GLN 52 Ca 0.54 0.72 -0.12 0.00 -1.95 0.00 0.00 55.36 54.54 1kds s GLN 52 Cb -0.28 -3.49 -0.06 0.00 -0.22 0.00 0.00 33.01 28.96 1kds s GLN 52 CO 0.86 -0.02 0.94 -1.25 -0.25 0.00 0.00 175.29 175.57 1kds s PRO 53 N 1.14 3.76 0.18 2.91 0.04 -1.26 0.39 135.00 142.16 1kds s PRO 53 Ca 0.32 0.72 -0.30 0.00 0.04 0.00 0.00 61.00 61.78 1kds s PRO 53 Cb -0.17 -2.19 -0.08 0.00 0.04 0.00 0.00 34.50 32.11 1kds s PRO 53 CO 0.14 -0.32 1.14 0.08 0.04 0.00 0.00 177.00 178.08 1kds s VAL 54 N -2.77 3.75 0.36 -0.36 1.01 -0.94 -4.35 120.40 117.09 1kds s VAL 54 Ca 0.55 1.49 0.06 0.00 0.00 0.00 0.00 61.98 64.08 1kds s VAL 54 Cb -0.10 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 1kds s VAL 54 CO 0.40 0.24 0.23 0.42 0.00 0.00 0.00 175.10 176.39 1kds s THR 55 N -0.11 0.18 -0.52 3.92 -4.23 -1.26 -4.75 115.64 108.88 1kds s THR 55 Ca 0.51 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.21 1kds s THR 55 Cb -0.31 -2.44 0.19 0.00 1.34 0.00 0.00 72.50 71.29 1kds s THR 55 CO 0.35 0.00 1.58 0.00 -0.54 0.00 0.00 174.62 176.01 1kds n GLN 56 N -0.72 0.13 -0.12 3.99 0.00 -1.26 -1.90 117.38 117.50 1kds n GLN 56 Ca 0.03 0.48 0.07 0.00 0.00 0.00 0.00 57.00 57.58 1kds n GLN 56 Cb 0.63 -1.81 0.13 0.00 0.00 0.00 0.00 30.24 29.19 1kds n GLN 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1kds n GLN 57 N -2.06 1.99 -2.32 2.61 10.64 -1.26 -4.11 117.38 122.87 1kds n GLN 57 Ca 0.01 -1.80 -0.42 0.00 -1.83 0.00 0.00 57.00 52.96 1kds n GLN 57 Cb 0.13 -1.30 -0.03 0.00 -0.86 0.00 0.00 30.24 28.18 1kds n GLN 57 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1kds s THR 58 N -1.06 3.66 -0.09 -0.39 2.01 -0.80 -4.83 115.64 114.14 1kds s THR 58 Ca 0.23 1.24 -0.17 0.00 0.31 0.00 0.00 61.69 63.30 1kds s THR 58 Cb 0.13 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.80 1kds s THR 58 CO 0.18 0.12 0.43 -0.76 -0.69 0.00 0.00 174.62 173.91 1kds s LEU 59 N 0.73 4.32 0.14 4.42 1.43 -0.05 -4.20 118.68 125.48 1kds s LEU 59 Ca 0.59 0.81 0.11 0.00 -1.03 0.00 0.00 54.13 54.61 1kds s LEU 59 Cb -0.33 -2.62 -0.04 0.00 0.03 0.00 0.00 46.19 43.23 1kds s LEU 59 CO 0.32 0.10 -0.26 -0.36 0.23 0.00 0.00 176.35 176.38 1kds s PHE 60 N 0.17 2.32 -0.11 0.29 0.40 0.55 -2.05 117.98 119.55 1kds s PHE 60 Ca 0.24 -0.37 -0.28 0.00 -0.60 0.00 0.00 56.93 55.92 1kds s PHE 60 Cb -0.15 -1.24 -0.02 0.00 0.51 0.00 0.00 43.02 42.13 1kds s PHE 60 CO 0.10 0.37 0.93 -1.21 0.70 0.00 0.00 175.22 176.11 1kds s GLU 61 N -2.17 4.40 0.39 0.44 2.02 -1.26 -1.44 118.70 121.08 1kds s GLU 61 Ca 0.15 1.24 0.22 0.00 0.02 0.00 0.00 54.97 56.61 1kds s GLU 61 Cb -0.10 -3.53 0.27 0.00 0.10 0.00 0.00 34.13 30.87 1kds s GLU 61 CO 0.07 -0.26 1.50 -0.07 0.02 0.00 0.00 175.26 176.52 1kds h LEU 62 N 7.87 0.00 0.00 1.80 3.38 -1.31 -3.44 115.31 123.61 1kds h LEU 62 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1kds h LEU 62 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1kds h LEU 62 CO 0.83 0.03 0.00 0.61 0.09 0.00 0.00 178.44 180.00 1kds n GLY 63 N 1.12 2.42 0.00 0.83 0.00 -1.25 -2.48 105.19 105.83 1kds n GLY 63 Ca 0.03 -0.47 0.03 0.00 0.00 0.00 0.00 46.02 45.61 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 0.86 0.00 0.18 1.61 7.64 -1.26 -1.06 113.62 121.59 1kds n SER 64 Ca 0.00 0.39 0.13 0.00 1.01 0.00 0.00 58.87 60.41 1kds n SER 64 Cb 0.00 -0.42 0.64 0.00 -1.01 0.00 0.00 64.21 63.42 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 -0.35 0.44 2.07 -1.59 -0.36 116.25 116.47 1kds h VAL 65 Ca 0.00 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1kds h VAL 65 Cb 0.08 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1kds h VAL 65 CO 0.00 0.00 0.22 0.28 0.02 0.00 0.00 177.57 178.09 1kds h SER 66 N 0.00 0.40 -0.40 0.57 0.02 -1.30 -2.10 113.55 110.73 1kds h SER 66 Ca 0.00 -0.01 0.12 0.00 -0.84 0.00 0.00 61.79 61.05 1kds h SER 66 Cb 0.16 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 1kds h SER 66 CO 0.00 0.30 0.42 0.11 -1.14 0.00 0.00 176.83 176.52 1kds h LYS 67 N 0.47 0.00 0.00 3.45 1.57 -1.21 0.13 116.57 120.99 1kds h LYS 67 Ca 0.13 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.76 1kds h LYS 67 Cb -0.04 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1kds h LYS 67 CO -0.03 0.00 -0.69 1.79 -0.57 0.00 0.00 179.45 179.95 1kds h THR 68 N 0.00 1.42 -0.13 -0.16 1.35 -1.55 -0.31 112.91 113.54 1kds h THR 68 Ca 0.19 -2.42 -0.23 0.00 -0.55 0.00 0.00 66.41 63.40 1kds h THR 68 Cb 1.04 2.33 0.01 0.00 -1.73 0.00 0.00 68.15 69.80 1kds h THR 68 CO -0.00 0.68 -0.82 -0.26 -0.25 0.00 0.00 175.52 174.86 1kds h PHE 69 N 0.00 1.05 -0.38 4.73 0.04 -0.90 -2.41 116.94 119.08 1kds h PHE 69 Ca -0.01 -0.48 -0.10 0.00 2.80 0.00 0.00 57.97 60.18 1kds h PHE 69 Cb 1.27 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 39.25 1kds h PHE 69 CO 0.00 1.32 -0.16 1.15 -0.60 0.00 0.00 178.31 180.01 1kds h THR 70 N 0.51 1.26 -0.25 -1.55 2.02 -1.33 -0.32 112.91 113.24 1kds h THR 70 Ca -0.06 -1.21 -0.01 0.00 0.77 0.00 0.00 66.41 65.89 1kds h THR 70 Cb 1.45 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 69.00 1kds h THR 70 CO 0.17 0.41 0.12 1.23 0.37 0.00 0.00 175.52 177.81 1kds h GLY 71 N 0.98 0.39 1.07 2.16 0.00 -0.97 -1.70 103.07 105.00 1kds h GLY 71 Ca 0.10 -0.20 -0.13 0.00 0.00 0.00 0.00 47.33 47.10 1kds h GLY 71 CO 0.04 0.19 -0.24 -2.08 0.00 0.00 0.00 176.54 174.46 1kds h VAL 72 N 0.27 1.27 -0.50 4.60 2.07 -1.26 -0.58 116.25 122.13 1kds h VAL 72 Ca 0.09 -1.39 0.03 0.00 0.82 0.00 0.00 66.70 66.24 1kds h VAL 72 Cb 0.13 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1kds h VAL 72 CO -0.01 0.47 0.29 0.25 0.02 0.00 0.00 177.57 178.59 1kds h LEU 73 N 0.74 0.46 -0.67 2.57 5.85 -0.99 0.39 115.31 123.67 1kds h LEU 73 Ca 0.09 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 1kds h LEU 73 Cb 0.81 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 1kds h LEU 73 CO 0.07 0.32 0.35 1.23 -0.34 0.00 0.00 178.44 180.07 1kds h GLY 74 N 0.57 1.01 1.39 3.75 0.00 -1.14 -1.37 103.07 107.28 1kds h GLY 74 Ca 0.20 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 1kds h GLY 74 CO -0.10 0.46 0.06 -1.33 0.00 0.00 0.00 176.54 175.63 1kds h GLY 75 N 0.92 0.82 1.65 4.60 0.00 -0.21 -1.84 103.07 109.01 1kds h GLY 75 Ca 0.23 -0.50 -0.08 0.00 0.00 0.00 0.00 47.33 46.99 1kds h GLY 75 CO -0.03 0.47 -0.18 -1.80 0.00 0.00 0.00 176.54 174.99 1kds h ASP 76 N 0.73 0.41 0.67 0.19 3.58 0.30 -2.13 116.42 120.17 1kds h ASP 76 Ca 0.15 -0.11 -0.13 0.00 0.42 0.00 0.00 57.03 57.36 1kds h ASP 76 Cb 0.36 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.28 1kds h ASP 76 CO 0.01 0.61 -0.61 0.00 -2.88 0.00 0.00 179.24 176.37 1kds h ALA 77 N 1.43 0.94 -0.27 -0.78 0.00 -0.57 -1.67 119.26 118.34 1kds h ALA 77 Ca 0.07 -0.56 -0.09 0.00 0.00 0.00 0.00 54.91 54.33 1kds h ALA 77 Cb 0.54 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1kds h ALA 77 CO 0.04 0.77 -0.18 0.82 0.00 0.00 0.00 179.25 180.69 1kds h ILE 78 N 0.00 1.30 -0.33 0.00 2.04 -1.01 -1.12 117.51 118.40 1kds h ILE 78 Ca -0.01 -1.31 -0.01 0.00 1.00 0.00 0.00 64.86 64.53 1kds h ILE 78 Cb 1.11 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 38.74 1kds h ILE 78 CO 0.08 0.41 0.14 0.00 0.00 0.00 0.00 178.15 178.78 1kds h ALA 79 N 0.72 1.64 0.00 1.87 0.00 -1.15 0.18 119.26 122.51 1kds h ALA 79 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1kds h ALA 79 Cb 0.72 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1kds h ALA 79 CO 0.05 0.29 0.00 0.54 0.00 0.00 0.00 179.25 180.13 1kds n ARG 80 N -4.41 0.21 -1.41 0.00 1.74 -0.65 -4.86 116.66 107.27 1kds n ARG 80 Ca 0.02 0.08 -0.07 0.00 -0.77 0.00 0.00 57.85 57.10 1kds n ARG 80 Cb 0.13 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.04 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 0.78 0.74 0.09 -0.13 0.00 0.05 -4.92 105.19 101.80 1kds n GLY 81 Ca 0.09 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 0.11 -4.51 1.61 5.08 -1.40 -3.48 114.58 111.99 1kds h GLU 82 Ca -0.15 -0.19 -0.21 0.00 -1.00 0.00 0.00 59.36 57.81 1kds h GLU 82 Cb 0.61 0.07 -0.15 0.00 0.50 0.00 0.00 28.75 29.78 1kds h GLU 82 CO 0.21 0.86 -0.65 0.96 -1.00 0.00 0.00 179.01 179.39 1kds s ILE 83 N -2.62 0.26 -0.02 3.13 -4.36 -1.18 -4.83 121.20 111.58 1kds s ILE 83 Ca -0.07 -1.92 0.02 0.00 -0.26 0.00 0.00 60.65 58.42 1kds s ILE 83 Cb 0.08 -2.04 -0.00 0.00 1.25 0.00 0.00 42.46 41.74 1kds s ILE 83 CO 0.83 -0.49 -0.08 -0.54 0.24 0.00 0.00 174.94 174.89 1kds s LYS 84 N -4.01 0.78 0.48 0.37 1.02 -1.26 -4.36 119.74 112.76 1kds s LYS 84 Ca 0.23 -0.29 0.31 0.00 0.02 0.00 0.00 55.97 56.25 1kds s LYS 84 Cb 0.07 -0.74 1.24 0.00 -0.52 0.00 0.00 37.83 37.88 1kds s LYS 84 CO 0.02 0.14 1.91 -0.07 -0.92 0.00 0.00 175.35 176.43 1kds h LEU 85 N 6.17 0.00 0.00 3.17 3.38 -1.99 -2.18 115.31 123.85 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 -2.89 0.66 -4.76 -0.43 3.41 -1.26 -1.89 113.62 106.46 1kds n SER 86 Ca 0.01 0.50 -0.41 0.00 -0.26 0.00 0.00 58.87 58.71 1kds n SER 86 Cb 0.30 -0.62 -0.03 0.00 -0.26 0.00 0.00 64.21 63.60 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 -4.21 7.02 0.61 4.04 -0.00 -0.82 -4.83 116.67 118.48 1kds s ASP 87 Ca 0.11 2.43 -0.18 0.00 -0.00 0.00 0.00 52.55 54.91 1kds s ASP 87 Cb 0.14 -2.63 -0.03 0.00 -0.00 0.00 0.00 42.92 40.40 1kds s ASP 87 CO 0.60 -0.36 1.17 -2.16 -0.00 0.00 0.00 175.17 174.42 1kds s PRO 88 N -1.22 2.93 0.23 8.23 0.04 -1.26 -1.80 135.00 142.14 1kds s PRO 88 Ca 0.49 1.69 -0.08 0.00 0.04 0.00 0.00 61.00 63.14 1kds s PRO 88 Cb -0.35 -1.94 0.24 0.00 0.04 0.00 0.00 34.50 32.49 1kds s PRO 88 CO 0.44 -1.21 1.87 1.15 0.04 0.00 0.00 177.00 179.29 1kds h THR 89 N 0.66 1.12 -0.05 1.26 2.02 -1.45 -2.54 112.91 113.94 1kds h THR 89 Ca -0.49 -0.34 0.01 0.00 0.77 0.00 0.00 66.41 66.36 1kds h THR 89 Cb 1.28 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1kds h THR 89 CO 0.55 0.18 0.11 0.71 0.37 0.00 0.00 175.52 177.44 1kds h THR 90 N 1.01 0.23 0.00 3.16 1.35 -1.83 -1.26 112.91 115.57 1kds h THR 90 Ca 0.33 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 66.15 1kds h THR 90 Cb 0.02 0.91 -0.01 0.00 -1.73 0.00 0.00 68.15 67.34 1kds h THR 90 CO -0.12 0.00 -0.17 0.50 -0.25 0.00 0.00 175.52 175.48 1kds h LYS 91 N 0.00 0.00 -0.01 4.72 3.64 -1.83 -2.85 116.57 120.24 1kds h LYS 91 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1kds h LYS 91 Cb 0.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1kds h LYS 91 CO -0.00 0.17 -0.41 0.66 -2.27 0.00 0.00 179.45 177.60 1kds n TYR 92 N -3.86 0.00 -3.26 1.91 4.01 -0.50 -4.70 117.16 110.77 1kds n TYR 92 Ca -0.02 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.50 1kds n TYR 92 Cb 0.27 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.22 1kds n TYR 92 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 1kds s TRP 93 N -1.96 0.52 0.64 -0.72 -0.00 -1.08 -4.99 118.94 111.35 1kds s TRP 93 Ca 0.11 -1.96 0.31 0.00 -0.00 0.00 0.00 56.10 54.56 1kds s TRP 93 Cb 0.12 -0.66 1.70 0.00 -0.00 0.00 0.00 33.47 34.63 1kds s TRP 93 CO 0.44 -0.92 2.00 -1.35 -0.00 0.00 0.00 176.95 177.11 1kds h PRO 94 N 5.53 0.00 0.00 5.86 0.11 -1.79 -1.07 132.00 140.64 1kds h PRO 94 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1kds h PRO 94 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1kds h PRO 94 CO 0.29 0.00 -0.06 0.39 -0.21 0.00 0.00 178.00 178.41 1kds n GLU 95 N -3.20 0.13 -2.71 1.05 4.71 -1.26 -4.41 120.64 114.96 1kds n GLU 95 Ca 0.00 0.10 -0.43 0.00 -0.01 0.00 0.00 57.16 56.83 1kds n GLU 95 Cb 0.39 -1.65 -0.02 0.00 -1.01 0.00 0.00 31.44 29.16 1kds n GLU 95 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1kds s LEU 96 N -3.74 4.19 -0.00 -4.62 2.96 -0.41 -4.72 118.68 112.33 1kds s LEU 96 Ca 0.12 -2.11 0.15 0.00 -0.22 0.00 0.00 54.13 52.07 1kds s LEU 96 Cb 0.16 -2.51 -0.17 0.00 0.50 0.00 0.00 46.19 44.17 1kds s LEU 96 CO 0.58 -1.19 0.60 0.35 -1.32 0.00 0.00 176.35 175.37 1kds n THR 97 N 6.07 0.00 -1.65 3.68 -2.24 -1.26 -4.70 114.28 114.19 1kds n THR 97 Ca 0.36 -0.17 -0.44 0.00 -2.27 0.00 0.00 64.05 61.53 1kds n THR 97 Cb 0.48 0.89 -0.01 0.00 -2.10 0.00 0.00 70.33 69.59 1kds n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kds n ALA 98 N -1.44 0.55 -0.33 6.98 0.00 -1.26 -4.87 120.51 120.13 1kds n ALA 98 Ca 0.02 0.38 0.18 0.00 0.00 0.00 0.00 53.44 54.02 1kds n ALA 98 Cb 0.26 -2.14 0.41 0.00 0.00 0.00 0.00 19.45 17.98 1kds n ALA 98 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1kds h LYS 99 N 2.40 0.55 0.00 0.00 1.63 -1.95 -2.32 116.57 116.88 1kds h LYS 99 Ca -0.43 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 1kds h LYS 99 Cb 1.31 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 1kds h LYS 99 CO 0.62 0.36 0.00 0.00 -3.45 0.00 0.00 179.45 176.99 1kds n GLN 100 N -4.75 0.00 0.00 1.90 0.00 -1.26 -2.24 117.38 111.04 1kds n GLN 100 Ca 0.25 0.37 0.12 0.00 0.00 0.00 0.00 57.00 57.74 1kds n GLN 100 Cb 0.73 -1.50 0.22 0.00 0.00 0.00 0.00 30.24 29.69 1kds n GLN 100 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.06 177.97 1kds n TRP 101 N -1.49 0.00 -0.30 2.61 7.02 -0.87 -4.63 117.44 119.77 1kds n TRP 101 Ca 0.02 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.39 1kds n TRP 101 Cb 0.08 -0.08 -0.08 0.00 -2.42 0.00 0.00 31.31 28.82 1kds n TRP 101 CO 0.00 0.00 0.00 -0.97 -2.02 0.00 0.00 177.69 174.70 1kds h ASN 102 N 1.52 -1.92 -0.54 -0.99 -0.00 -1.63 -2.51 115.58 109.50 1kds h ASN 102 Ca 0.00 0.29 -0.04 0.00 -0.00 0.00 0.00 56.30 56.55 1kds h ASN 102 Cb 0.59 0.85 -0.03 0.00 -0.00 0.00 0.00 38.32 39.73 1kds h ASN 102 CO 0.00 -0.30 0.05 0.61 -0.00 0.00 0.00 177.43 177.79 1kds n GLY 103 N -1.33 2.95 3.58 1.57 0.00 -1.26 -4.89 105.19 105.80 1kds n GLY 103 Ca 0.01 -0.83 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.59 5.11 0.48 -0.61 1.01 -0.95 -4.94 121.20 118.70 1kds s ILE 104 Ca 0.48 0.43 0.08 0.00 0.00 0.00 0.00 60.65 61.64 1kds s ILE 104 Cb 0.37 -3.83 0.03 0.00 0.01 0.00 0.00 42.46 39.05 1kds s ILE 104 CO 0.14 -0.03 0.61 0.42 0.00 0.00 0.00 174.94 176.08 1kds s THR 105 N 2.20 2.60 0.44 2.92 -4.23 -1.26 -1.22 115.64 117.09 1kds s THR 105 Ca 0.16 -1.06 0.10 0.00 -1.18 0.00 0.00 61.69 59.71 1kds s THR 105 Cb -0.16 -2.67 0.24 0.00 1.34 0.00 0.00 72.50 71.26 1kds s THR 105 CO 0.11 0.00 2.06 -0.07 -0.54 0.00 0.00 174.62 176.18 1kds h LEU 106 N 0.53 0.28 -0.06 4.79 3.38 -1.32 -2.16 115.31 120.75 1kds h LEU 106 Ca -0.37 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1kds h LEU 106 Cb 1.28 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 1kds h LEU 106 CO 0.46 0.25 0.03 0.25 0.09 0.00 0.00 178.44 179.51 1kds h LEU 107 N 0.32 0.05 -0.59 1.67 5.85 -1.67 0.35 115.31 121.29 1kds h LEU 107 Ca 0.08 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.87 1kds h LEU 107 Cb 0.05 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 1kds h LEU 107 CO -0.01 0.04 0.28 0.45 -0.34 0.00 0.00 178.44 178.86 1kds h HIS 108 N 0.07 0.51 -0.50 1.25 3.86 -1.69 -0.30 115.15 118.35 1kds h HIS 108 Ca 0.02 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.24 1kds h HIS 108 Cb 0.00 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.31 1kds h HIS 108 CO -0.08 0.21 0.23 -0.07 0.86 0.00 0.00 177.93 179.08 1kds h LEU 109 N 0.52 0.67 -1.35 2.43 3.38 -1.09 -1.34 115.31 118.53 1kds h LEU 109 Ca 0.27 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1kds h LEU 109 Cb 0.23 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1kds h LEU 109 CO -0.21 0.62 -0.31 0.00 0.09 0.00 0.00 178.44 178.63 1kds h ALA 110 N 1.07 1.29 -0.28 1.53 0.00 -0.23 -2.78 119.26 119.86 1kds h ALA 110 Ca 0.17 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1kds h ALA 110 Cb 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1kds h ALA 110 CO -0.02 0.39 0.00 0.25 0.00 0.00 0.00 179.25 179.87 1kds n THR 111 N -3.89 1.78 -1.52 0.00 -2.24 -0.19 -4.45 114.28 103.77 1kds n THR 111 Ca -0.02 -1.55 -0.16 0.00 -2.27 0.00 0.00 64.05 60.06 1kds n THR 111 Cb 0.38 0.04 -0.06 0.00 -2.10 0.00 0.00 70.33 68.59 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 -0.15 -0.06 -1.13 4.78 0.53 -0.92 -4.81 117.16 115.40 1kds n TYR 112 Ca 0.17 0.00 0.02 0.00 -1.02 0.00 0.00 57.90 57.07 1kds n TYR 112 Cb 0.70 -2.78 0.26 0.00 -1.03 0.00 0.00 39.34 36.49 1kds n TYR 112 CO 0.00 0.00 0.00 0.25 -1.02 0.00 0.00 176.86 176.09 1kds n THR 113 N -2.66 2.52 0.26 -0.72 -2.24 -0.55 -1.33 114.28 109.56 1kds n THR 113 Ca -0.16 -2.04 0.15 0.00 -2.27 0.00 0.00 64.05 59.73 1kds n THR 113 Cb 0.53 -0.30 0.60 0.00 -2.10 0.00 0.00 70.33 69.06 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 1.81 1.02 0.00 6.98 0.00 -1.79 0.11 119.26 127.39 1kds h ALA 114 Ca 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1kds h ALA 114 Cb 1.73 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1kds h ALA 114 CO 0.40 0.09 0.00 0.41 0.00 0.00 0.00 179.25 180.15 1kds n GLY 115 N 0.08 1.73 0.00 0.00 0.00 -1.26 -3.98 105.19 101.76 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 1.88 3.76 -0.02 0.00 -1.26 -0.56 105.19 108.99 1kds n GLY 116 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1kds n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kds s LEU 117 N 0.00 4.37 0.57 0.99 1.43 -1.26 -4.74 118.68 120.03 1kds s LEU 117 Ca 0.00 2.80 -0.21 0.00 -1.03 0.00 0.00 54.13 55.70 1kds s LEU 117 Cb 0.00 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.54 1kds s LEU 117 CO 0.00 -0.76 1.34 -2.16 0.23 0.00 0.00 176.35 175.00 1kds s PRO 118 N -0.89 3.03 0.28 1.29 0.04 -1.26 -4.71 135.00 132.79 1kds s PRO 118 Ca 0.58 2.18 0.02 0.00 0.04 0.00 0.00 61.00 63.82 1kds s PRO 118 Cb -0.44 -2.17 0.60 0.00 0.04 0.00 0.00 34.50 32.53 1kds s PRO 118 CO 0.49 -1.26 1.81 1.25 0.04 0.00 0.00 177.00 179.33 1kds h LEU 119 N 1.27 0.83 -8.39 -3.56 5.85 -1.92 -3.26 115.31 106.14 1kds h LEU 119 Ca -0.51 0.07 -0.52 0.00 0.84 0.00 0.00 57.88 57.76 1kds h LEU 119 Cb 1.31 -0.09 -0.27 0.00 0.37 0.00 0.00 40.66 41.98 1kds h LEU 119 CO 0.56 0.39 -0.82 -1.10 -0.34 0.00 0.00 178.44 177.13 1kds s GLN 120 N -5.93 1.24 -0.02 1.25 -0.21 -1.26 -0.65 119.66 114.08 1kds s GLN 120 Ca -0.12 -0.76 -0.30 0.00 0.02 0.00 0.00 55.36 54.20 1kds s GLN 120 Cb 0.23 -1.27 -0.03 0.00 1.00 0.00 0.00 33.01 32.93 1kds s GLN 120 CO 0.80 0.33 1.08 0.08 -2.12 0.00 0.00 175.29 175.47 1kds s VAL 121 N -0.66 4.52 0.41 1.09 1.01 -1.26 -4.86 120.40 120.64 1kds s VAL 121 Ca 0.05 1.81 -0.24 0.00 0.00 0.00 0.00 61.98 63.61 1kds s VAL 121 Cb -0.08 -4.16 -0.11 0.00 0.00 0.00 0.00 36.38 32.03 1kds s VAL 121 CO 0.01 0.09 0.88 -2.65 0.00 0.00 0.00 175.10 173.42 1kds n PRO 122 N 4.38 1.10 0.16 2.72 -0.02 -1.26 -4.86 135.00 137.22 1kds n PRO 122 Ca 0.08 0.40 0.15 0.00 -2.02 0.00 0.00 63.50 62.11 1kds n PRO 122 Cb 0.48 -1.86 0.71 0.00 -0.02 0.00 0.00 33.50 32.82 1kds n PRO 122 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1kds h ASP 123 N 1.35 0.00 1.06 2.55 5.19 -2.01 -2.11 116.42 122.44 1kds h ASP 123 Ca -0.43 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 1kds h ASP 123 Cb 1.36 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.87 1kds h ASP 123 CO 0.56 0.00 0.00 -0.33 -3.12 0.00 0.00 179.24 176.35 1kds h GLU 124 N 0.00 0.00 -6.66 3.56 3.07 -2.03 -3.42 114.58 109.09 1kds h GLU 124 Ca 0.11 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.41 1kds h GLU 124 Cb 0.47 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.31 1kds h GLU 124 CO -0.00 0.00 0.94 0.08 -1.40 0.00 0.00 179.01 178.63 1kds s VAL 125 N -3.43 4.19 -0.01 3.13 1.01 -0.80 -4.81 120.40 119.68 1kds s VAL 125 Ca 0.04 1.23 -0.00 0.00 0.00 0.00 0.00 61.98 63.24 1kds s VAL 125 Cb 0.09 -4.55 -0.00 0.00 0.00 0.00 0.00 36.38 31.92 1kds s VAL 125 CO 0.50 -0.94 -0.01 0.29 0.00 0.00 0.00 175.10 174.94 1kds n LYS 126 N 7.80 0.02 -1.75 2.72 5.02 -1.26 -4.41 118.16 126.30 1kds n LYS 126 Ca 0.13 0.01 -0.30 0.00 -2.02 0.00 0.00 58.31 56.13 1kds n LYS 126 Cb 0.49 -0.60 0.08 0.00 -0.02 0.00 0.00 35.03 34.97 1kds n LYS 126 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1kds s SER 127 N -4.92 4.71 0.41 4.39 0.15 -1.26 -4.92 113.70 112.27 1kds s SER 127 Ca -0.01 1.09 0.21 0.00 0.70 0.00 0.00 55.95 57.93 1kds s SER 127 Cb 0.00 -1.77 0.85 0.00 -1.71 0.00 0.00 66.02 63.40 1kds s SER 127 CO 0.01 -1.80 1.81 0.28 1.20 0.00 0.00 173.24 174.74 1kds h SER 128 N -0.98 0.00 0.19 5.45 0.02 -1.99 -1.67 113.55 114.57 1kds h SER 128 Ca -0.46 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.30 1kds h SER 128 Cb 1.28 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.82 1kds h SER 128 CO 0.63 0.30 -0.71 0.28 -1.14 0.00 0.00 176.83 176.19 1kds h SER 129 N 0.00 0.54 -0.40 3.07 0.02 -2.00 -2.37 113.55 112.41 1kds h SER 129 Ca -0.00 -0.34 -0.05 0.00 -0.84 0.00 0.00 61.79 60.56 1kds h SER 129 Cb 0.76 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 1kds h SER 129 CO 0.04 1.08 0.06 0.44 -1.14 0.00 0.00 176.83 177.31 1kds h ASP 130 N 0.32 0.64 -0.16 3.07 3.45 -1.71 -1.96 116.42 120.08 1kds h ASP 130 Ca -0.03 -0.26 -0.00 0.00 0.43 0.00 0.00 57.03 57.17 1kds h ASP 130 Cb 1.28 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.87 1kds h ASP 130 CO 0.12 0.74 0.09 0.25 -1.57 0.00 0.00 179.24 178.87 1kds h LEU 131 N 0.52 0.21 -0.13 1.55 5.85 -1.28 -1.15 115.31 120.87 1kds h LEU 131 Ca 0.12 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1kds h LEU 131 Cb 0.37 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1kds h LEU 131 CO 0.01 0.24 0.09 0.25 -0.34 0.00 0.00 178.44 178.69 1kds h LEU 132 N 0.16 0.15 -0.75 2.25 5.85 -1.37 -2.05 115.31 119.55 1kds h LEU 132 Ca 0.06 -0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.87 1kds h LEU 132 Cb 0.08 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.00 1kds h LEU 132 CO -0.01 0.11 0.39 -0.09 -0.34 0.00 0.00 178.44 178.50 1kds h ARG 133 N 0.18 0.63 0.11 1.25 2.43 -1.21 0.64 114.38 118.41 1kds h ARG 133 Ca 0.05 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1kds h ARG 133 Cb -0.02 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 1kds h ARG 133 CO -0.01 0.41 -0.05 0.35 -1.51 0.00 0.00 179.97 179.16 1kds h PHE 134 N 0.65 -0.13 -0.05 2.20 3.57 -0.83 -1.28 116.94 121.06 1kds h PHE 134 Ca 0.37 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.77 1kds h PHE 134 Cb 0.39 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 1kds h PHE 134 CO -0.10 -0.07 -0.42 1.88 -2.23 0.00 0.00 178.31 177.37 1kds h TYR 135 N -0.16 0.11 -0.00 0.41 0.05 -0.97 -1.17 116.97 115.23 1kds h TYR 135 Ca -0.01 -0.03 -0.14 0.00 0.05 0.00 0.00 58.73 58.59 1kds h TYR 135 Cb 0.12 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 37.82 1kds h TYR 135 CO -0.07 0.51 -0.67 1.96 -1.05 0.00 0.00 178.16 178.84 1kds h GLN 136 N 0.08 0.02 0.00 4.88 1.08 -0.74 -3.15 115.11 117.28 1kds h GLN 136 Ca 0.01 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1kds h GLN 136 Cb 0.78 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.21 1kds h GLN 136 CO 0.06 0.68 -0.63 -0.91 -0.95 0.00 0.00 178.83 177.08 1kds h ASN 137 N 0.01 0.00 -2.91 1.46 2.35 -0.94 -3.46 115.58 112.09 1kds h ASN 137 Ca -0.01 -0.01 -0.55 0.00 -0.55 0.00 0.00 56.30 55.18 1kds h ASN 137 Cb 1.19 0.00 0.08 0.00 0.05 0.00 0.00 38.32 39.64 1kds h ASN 137 CO 0.09 0.00 0.79 1.87 -1.65 0.00 0.00 177.43 178.53 1kds n TRP 138 N -2.81 2.54 -4.05 1.19 -0.00 -0.47 -5.00 117.44 108.86 1kds n TRP 138 Ca 0.02 0.30 -0.34 0.00 -0.00 0.00 0.00 57.50 57.47 1kds n TRP 138 Cb 0.54 -2.55 -0.15 0.00 -0.00 0.00 0.00 31.31 29.15 1kds n TRP 138 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 1kds s GLN 139 N -0.17 3.17 0.48 5.87 -1.52 -1.26 -4.97 119.66 121.25 1kds s GLN 139 Ca 0.68 -0.74 -0.24 0.00 -1.95 0.00 0.00 55.36 53.11 1kds s GLN 139 Cb -0.57 -2.77 -0.07 0.00 -0.22 0.00 0.00 33.01 29.39 1kds s GLN 139 CO 0.46 -0.19 1.35 -1.25 -0.25 0.00 0.00 175.29 175.41 1kds s PRO 140 N 1.35 3.55 0.13 2.91 0.04 -1.26 -4.93 135.00 136.79 1kds s PRO 140 Ca 0.05 2.23 0.19 0.00 0.04 0.00 0.00 61.00 63.51 1kds s PRO 140 Cb -0.14 -2.50 -0.07 0.00 0.04 0.00 0.00 34.50 31.83 1kds s PRO 140 CO -0.08 -0.86 0.94 0.00 0.04 0.00 0.00 177.00 177.04 1kds h ALA 141 N 2.05 0.60 -2.58 8.56 0.00 -1.12 -3.48 119.26 123.29 1kds h ALA 141 Ca -0.50 -0.49 -0.18 0.00 0.00 0.00 0.00 54.91 53.73 1kds h ALA 141 Cb 1.27 0.16 -0.14 0.00 0.00 0.00 0.00 17.79 19.08 1kds h ALA 141 CO 0.60 0.54 -0.53 -1.58 0.00 0.00 0.00 179.25 178.28 1kds s TRP 142 N -3.10 0.88 0.50 0.00 0.51 -1.05 -5.03 118.94 111.66 1kds s TRP 142 Ca -0.02 -1.18 -0.20 0.00 -2.12 0.00 0.00 56.10 52.59 1kds s TRP 142 Cb 0.09 -0.38 -0.08 0.00 -0.81 0.00 0.00 33.47 32.29 1kds s TRP 142 CO 0.80 -0.66 1.04 0.00 -0.51 0.00 0.00 176.95 177.63 1kds s ALA 143 N -4.09 2.85 0.68 0.98 0.00 -1.26 -4.45 121.76 116.47 1kds s ALA 143 Ca 0.30 0.59 -0.17 0.00 0.00 0.00 0.00 51.96 52.68 1kds s ALA 143 Cb 0.06 -3.25 0.01 0.00 0.00 0.00 0.00 23.12 19.93 1kds s ALA 143 CO 0.07 -0.39 1.26 -1.25 0.00 0.00 0.00 175.76 175.45 1kds s PRO 144 N -3.34 2.40 -0.88 0.00 0.04 -1.26 -3.27 135.00 128.69 1kds s PRO 144 Ca 0.67 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.66 1kds s PRO 144 Cb -0.17 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1kds s PRO 144 CO 0.22 -1.68 0.00 0.41 0.04 0.00 0.00 177.00 175.99 1kds n GLY 145 N 0.71 1.02 0.01 0.56 0.00 0.40 -4.90 105.19 102.99 1kds n GLY 145 Ca 0.15 -0.59 -0.01 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.73 0.15 -4.37 2.61 -2.24 -1.20 -4.88 114.28 101.62 1kds n THR 146 Ca -0.08 -0.08 -0.19 0.00 -2.27 0.00 0.00 64.05 61.42 1kds n THR 146 Cb 0.29 -0.82 -0.14 0.00 -2.10 0.00 0.00 70.33 67.56 1kds n THR 146 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1kds s GLN 147 N -2.05 0.85 -0.25 -0.78 -1.52 -1.26 -1.99 119.66 112.65 1kds s GLN 147 Ca -0.02 -0.57 -0.10 0.00 -1.95 0.00 0.00 55.36 52.72 1kds s GLN 147 Cb 0.01 -0.82 -0.05 0.00 -0.22 0.00 0.00 33.01 31.93 1kds s GLN 147 CO 0.08 0.21 0.16 0.50 -0.25 0.00 0.00 175.29 175.99 1kds s ARG 148 N -0.74 4.00 -0.29 2.91 3.52 0.56 -4.22 118.95 124.69 1kds s ARG 148 Ca 0.02 -0.30 -0.01 0.00 -0.13 0.00 0.00 55.73 55.30 1kds s ARG 148 Cb -0.06 -3.55 0.09 0.00 -1.56 0.00 0.00 34.95 29.87 1kds s ARG 148 CO 0.00 -0.03 0.09 -1.17 -0.81 0.00 0.00 175.30 173.39 1kds s LEU 149 N 1.29 1.94 -0.23 -0.88 2.96 -0.44 -1.40 118.68 121.92 1kds s LEU 149 Ca 0.07 -1.48 -0.40 0.00 -0.22 0.00 0.00 54.13 52.10 1kds s LEU 149 Cb -0.14 -0.79 -0.16 0.00 0.50 0.00 0.00 46.19 45.60 1kds s LEU 149 CO 0.06 -0.40 1.65 0.00 -1.32 0.00 0.00 176.35 176.34 1kds n TYR 150 N 4.91 1.90 -3.67 5.38 4.19 -1.26 -4.79 117.16 123.81 1kds n TYR 150 Ca -0.04 0.63 -0.12 0.00 3.31 0.00 0.00 57.90 61.68 1kds n TYR 150 Cb 0.43 -2.41 -0.08 0.00 0.49 0.00 0.00 39.34 37.77 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 2.89 -1.46 0.14 2.98 0.00 -1.26 -4.33 121.76 120.72 1kds s ALA 151 Ca 0.97 1.75 -0.12 0.00 0.00 0.00 0.00 51.96 54.56 1kds s ALA 151 Cb -1.10 -1.03 -0.01 0.00 0.00 0.00 0.00 23.12 20.98 1kds s ALA 151 CO 0.64 -0.29 1.53 -0.91 0.00 0.00 0.00 175.76 176.73 1kds h ASN 152 N 5.73 0.94 0.23 0.00 2.35 -1.02 -2.79 115.58 121.02 1kds h ASN 152 Ca -0.29 -0.40 0.00 0.00 -0.55 0.00 0.00 56.30 55.06 1kds h ASN 152 Cb 1.18 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 39.29 1kds h ASN 152 CO 0.16 1.13 0.00 0.77 -1.65 0.00 0.00 177.43 177.84 1kds h SER 153 N 0.75 0.00 0.00 5.81 4.64 -1.67 0.42 113.55 123.51 1kds h SER 153 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1kds h SER 153 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1kds h SER 153 CO 0.06 0.00 -0.13 -1.28 -0.87 0.00 0.00 176.83 174.61 1kds h SER 154 N 0.00 0.00 0.54 4.97 0.87 -1.75 -3.31 113.55 114.87 1kds h SER 154 Ca 0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 1kds h SER 154 Cb 0.11 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 1kds h SER 154 CO 0.00 0.23 -0.28 -0.29 -0.53 0.00 0.00 176.83 175.96 1kds h ILE 155 N -0.33 0.87 -0.58 2.23 2.10 -1.35 -2.31 117.51 118.14 1kds h ILE 155 Ca 0.00 -1.08 -0.03 0.00 1.08 0.00 0.00 64.86 64.83 1kds h ILE 155 Cb 0.13 1.64 -0.03 0.00 -1.09 0.00 0.00 36.82 37.48 1kds h ILE 155 CO 0.00 0.27 0.24 1.23 -1.08 0.00 0.00 178.15 178.81 1kds h GLY 156 N 1.36 0.93 1.63 8.18 0.00 -0.37 -1.13 103.07 113.66 1kds h GLY 156 Ca -0.00 -0.50 -0.13 0.00 0.00 0.00 0.00 47.33 46.70 1kds h GLY 156 CO 0.04 0.47 -0.46 -2.00 0.00 0.00 0.00 176.54 174.59 1kds h LEU 157 N 0.80 0.44 -0.46 3.11 5.85 -1.56 -2.46 115.31 121.03 1kds h LEU 157 Ca 0.20 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1kds h LEU 157 Cb 0.19 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1kds h LEU 157 CO -0.02 0.84 0.28 0.15 -0.34 0.00 0.00 178.44 179.35 1kds h PHE 158 N 0.33 0.61 -0.39 1.25 3.57 -1.05 -1.61 116.94 119.65 1kds h PHE 158 Ca 0.02 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1kds h PHE 158 Cb 0.94 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.46 1kds h PHE 158 CO 0.03 0.42 0.21 0.78 -2.23 0.00 0.00 178.31 177.52 1kds h GLY 159 N 0.62 0.58 1.69 2.40 0.00 -1.05 0.45 103.07 107.75 1kds h GLY 159 Ca 0.17 -0.26 -0.08 0.00 0.00 0.00 0.00 47.33 47.16 1kds h GLY 159 CO -0.03 0.25 -0.20 0.00 0.00 0.00 0.00 176.54 176.55 1kds h ALA 160 N 1.07 1.26 0.08 3.60 0.00 -1.24 -3.01 119.26 121.03 1kds h ALA 160 Ca 0.14 -0.29 -0.25 0.00 0.00 0.00 0.00 54.91 54.50 1kds h ALA 160 Cb 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1kds h ALA 160 CO -0.02 0.49 -1.16 -0.07 0.00 0.00 0.00 179.25 178.48 1kds h LEU 161 N 0.34 0.28 -1.56 0.00 4.07 -1.11 -3.32 115.31 114.01 1kds h LEU 161 Ca 0.06 -0.30 0.04 0.00 0.08 0.00 0.00 57.88 57.76 1kds h LEU 161 Cb 0.55 -0.09 -0.03 0.00 1.08 0.00 0.00 40.66 42.18 1kds h LEU 161 CO 0.04 1.23 0.35 0.00 -1.08 0.00 0.00 178.44 178.98 1kds h ALA 162 N 0.73 1.78 -0.01 1.53 0.00 -0.77 -2.02 119.26 120.50 1kds h ALA 162 Ca -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1kds h ALA 162 Cb 1.90 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1kds h ALA 162 CO 0.18 0.15 -0.10 1.33 0.00 0.00 0.00 179.25 180.80 1kds n VAL 163 N -4.47 0.00 0.12 0.00 0.24 -1.21 -4.39 118.33 108.61 1kds n VAL 163 Ca 0.06 -0.15 -0.14 0.00 -2.04 0.00 0.00 64.34 62.08 1kds n VAL 163 Cb 0.17 0.25 -0.07 0.00 -1.47 0.00 0.00 33.84 32.72 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 1.40 -0.59 -1.00 7.34 1.79 -1.47 -2.81 116.57 121.23 1kds h LYS 164 Ca 0.00 0.04 0.21 0.00 -2.18 0.00 0.00 60.65 58.72 1kds h LYS 164 Cb 0.43 0.13 -0.11 0.00 -1.58 0.00 0.00 32.23 31.10 1kds h LYS 164 CO 0.00 -0.39 0.60 -1.35 -1.08 0.00 0.00 179.45 177.22 1kds h PRO 165 N -0.61 0.68 0.00 3.15 0.11 -1.78 -0.98 132.00 132.56 1kds h PRO 165 Ca 0.03 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1kds h PRO 165 Cb 0.64 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.60 1kds h PRO 165 CO -0.22 0.45 0.00 0.66 -0.21 0.00 0.00 178.00 178.68 1kds h SER 166 N 0.70 0.00 0.00 -2.05 4.64 -1.79 -3.46 113.55 111.58 1kds h SER 166 Ca 0.60 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 1kds h SER 166 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1kds h SER 166 CO -0.42 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.15 1kds n GLY 167 N -0.17 2.78 3.87 -0.77 0.00 -0.37 -5.00 105.19 105.53 1kds n GLY 167 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 3.74 0.86 0.99 1.43 -1.26 -5.06 118.68 119.37 1kds s LEU 168 Ca 0.00 1.26 -0.11 0.00 -1.03 0.00 0.00 54.13 54.25 1kds s LEU 168 Cb 0.00 -4.17 0.10 0.00 0.03 0.00 0.00 46.19 42.15 1kds s LEU 168 CO 0.00 -0.48 1.09 -0.94 0.23 0.00 0.00 176.35 176.25 1kds s SER 169 N -3.21 3.88 0.14 2.29 1.04 -1.26 -4.72 113.70 111.86 1kds s SER 169 Ca 0.53 1.42 -0.18 0.00 0.48 0.00 0.00 55.95 58.20 1kds s SER 169 Cb -0.10 -2.12 -0.02 0.00 0.10 0.00 0.00 66.02 63.88 1kds s SER 169 CO 0.33 -2.37 1.77 0.15 0.98 0.00 0.00 173.24 174.10 1kds h PHE 170 N -1.36 0.28 -0.61 5.02 3.57 -1.93 -0.80 116.94 121.10 1kds h PHE 170 Ca -0.48 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.00 1kds h PHE 170 Cb 1.28 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.91 1kds h PHE 170 CO 0.44 0.16 0.28 1.49 -2.23 0.00 0.00 178.31 178.45 1kds h GLU 171 N 0.31 0.90 -0.55 1.11 4.81 -1.99 -1.28 114.58 117.89 1kds h GLU 171 Ca 0.11 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1kds h GLU 171 Cb 0.02 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 1kds h GLU 171 CO -0.06 0.74 0.22 1.96 -0.73 0.00 0.00 179.01 181.14 1kds h GLN 172 N 0.85 0.82 -0.44 1.92 4.20 -1.88 -0.93 115.11 119.65 1kds h GLN 172 Ca 0.21 -0.15 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 1kds h GLN 172 Cb 0.15 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1kds h GLN 172 CO -0.02 0.71 0.12 0.00 -0.67 0.00 0.00 178.83 178.98 1kds h ALA 173 N 1.07 0.58 -0.27 3.87 0.00 -0.94 -1.55 119.26 122.03 1kds h ALA 173 Ca 0.18 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1kds h ALA 173 Cb 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1kds h ALA 173 CO -0.02 0.25 0.16 1.98 0.00 0.00 0.00 179.25 181.62 1kds h MET 174 N 0.58 0.36 0.65 0.00 -1.53 -1.03 0.33 114.93 114.29 1kds h MET 174 Ca 0.14 -0.03 -0.03 0.00 -3.44 0.00 0.00 59.70 56.34 1kds h MET 174 Cb 0.29 -0.08 0.01 0.00 -0.55 0.00 0.00 31.60 31.27 1kds h MET 174 CO -0.00 0.28 -0.31 1.96 0.14 0.00 0.00 176.91 178.98 1kds h GLN 175 N 0.34 -0.85 -0.45 0.39 4.20 -1.10 0.31 115.11 117.95 1kds h GLN 175 Ca 0.10 0.06 -0.14 0.00 0.06 0.00 0.00 58.65 58.73 1kds h GLN 175 Cb 0.01 0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1kds h GLN 175 CO -0.02 -0.56 -0.26 1.79 -0.67 0.00 0.00 178.83 179.11 1kds h THR 176 N -0.90 1.27 0.00 -0.54 1.35 -1.25 0.62 112.91 113.46 1kds h THR 176 Ca -0.09 -1.43 -0.02 0.00 -0.55 0.00 0.00 66.41 64.31 1kds h THR 176 Cb 0.68 1.21 -0.00 0.00 -1.73 0.00 0.00 68.15 68.31 1kds h THR 176 CO 0.15 0.49 -1.31 0.54 -0.25 0.00 0.00 175.52 175.13 1kds n ARG 177 N -4.11 0.62 0.06 4.72 1.74 0.12 -4.38 116.66 115.43 1kds n ARG 177 Ca -0.01 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1kds n ARG 177 Cb 0.48 -1.75 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 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 -2.60 0.89 0.10 1.55 0.31 -0.09 -4.71 118.33 113.78 1kds n VAL 178 Ca -0.03 0.29 -0.13 0.00 -0.01 0.00 0.00 64.34 64.47 1kds n VAL 178 Cb 0.60 -1.39 -0.06 0.00 -0.91 0.00 0.00 33.84 32.07 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 -0.33 0.26 3.52 0.04 -1.00 -2.95 116.94 116.47 1kds h PHE 179 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1kds h PHE 179 Cb 0.11 0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.39 1kds h PHE 179 CO 0.00 -0.20 -0.12 1.96 -0.60 0.00 0.00 178.31 179.35 1kds h GLN 180 N -0.28 -0.33 -0.58 1.51 4.20 -1.11 0.97 115.11 119.49 1kds h GLN 180 Ca 0.01 0.02 0.17 0.00 0.06 0.00 0.00 58.65 58.91 1kds h GLN 180 Cb 0.27 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 1kds h GLN 180 CO -0.04 -0.07 0.42 -1.35 -0.67 0.00 0.00 178.83 177.12 1kds h PRO 181 N -0.56 0.00 -0.03 1.46 0.11 -1.76 0.17 132.00 131.39 1kds h PRO 181 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1kds h PRO 181 Cb 0.41 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.52 1kds h PRO 181 CO 0.06 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.13 1kds n LEU 182 N -4.31 2.15 -2.46 2.35 4.77 -1.12 -4.96 117.00 113.42 1kds n LEU 182 Ca 0.11 -0.72 -0.18 0.00 -0.03 0.00 0.00 56.01 55.19 1kds n LEU 182 Cb 0.66 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.78 1kds n LEU 182 CO 0.36 0.36 0.02 0.29 -1.33 0.00 0.00 177.39 177.10 1kds n LYS 183 N 0.68 -4.15 -2.75 3.23 5.02 0.60 -4.91 118.16 115.88 1kds n LYS 183 Ca 0.17 0.70 -0.44 0.00 -2.02 0.00 0.00 58.31 56.73 1kds n LYS 183 Cb 0.46 -5.16 0.00 0.00 -0.02 0.00 0.00 35.03 30.31 1kds n LYS 183 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1kds n LEU 184 N -3.30 5.45 0.00 -0.35 4.77 0.26 -4.78 117.00 119.04 1kds n LEU 184 Ca -0.08 -4.39 0.11 0.00 -0.03 0.00 0.00 56.01 51.62 1kds n LEU 184 Cb 0.59 -1.62 0.57 0.00 -2.33 0.00 0.00 43.42 40.63 1kds n LEU 184 CO 0.39 0.74 0.84 0.59 -1.33 0.00 0.00 177.39 178.62 1kds n ASN 185 N 5.85 0.00 -2.38 -1.43 3.02 -1.26 -3.44 115.26 115.62 1kds n ASN 185 Ca 0.40 -0.22 -0.06 0.00 -0.03 0.00 0.00 54.58 54.67 1kds n ASN 185 Cb 0.42 -0.20 0.05 0.00 -0.61 0.00 0.00 39.78 39.44 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 -1.20 1.53 -5.08 3.10 8.25 -1.26 -5.03 115.22 115.53 1kds n HIS 186 Ca 0.12 -1.99 -0.31 0.00 -0.26 0.00 0.00 57.72 55.27 1kds n HIS 186 Cb 0.14 -0.26 -0.17 0.00 1.12 0.00 0.00 29.99 30.83 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 -3.69 1.96 0.02 1.59 2.01 -1.22 -3.74 115.64 112.57 1kds s THR 187 Ca 0.35 -0.96 -0.04 0.00 0.31 0.00 0.00 61.69 61.36 1kds s THR 187 Cb 0.35 -1.71 -0.01 0.00 0.01 0.00 0.00 72.50 71.15 1kds s THR 187 CO -0.03 0.54 0.06 0.26 -0.69 0.00 0.00 174.62 174.75 1kds s TRP 188 N 0.44 0.21 -0.21 4.92 0.52 -0.12 -4.99 118.94 119.70 1kds s TRP 188 Ca -0.17 -0.47 -0.12 0.00 0.02 0.00 0.00 56.10 55.36 1kds s TRP 188 Cb -0.17 -0.16 -0.19 0.00 -1.15 0.00 0.00 33.47 31.80 1kds s TRP 188 CO 0.07 -0.29 0.03 -0.89 0.02 0.00 0.00 176.95 175.88 1kds n ILE 189 N 1.13 1.59 -3.87 2.03 5.41 -1.26 -0.59 119.36 123.80 1kds n ILE 189 Ca -0.21 -0.37 -0.36 0.00 1.00 0.00 0.00 62.75 62.81 1kds n ILE 189 Cb 0.57 -1.82 -0.13 0.00 -0.71 0.00 0.00 39.64 37.55 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 -7.01 4.93 -0.14 4.38 -0.87 -1.26 -4.78 114.94 110.18 1kds s ASN 190 Ca -0.31 -1.14 -0.29 0.00 -1.57 0.00 0.00 52.86 49.55 1kds s ASN 190 Cb 0.09 -1.76 -0.02 0.00 -0.02 0.00 0.00 41.25 39.54 1kds s ASN 190 CO 0.61 -0.25 1.39 -0.69 -2.57 0.00 0.00 177.10 175.59 1kds s VAL 191 N 1.32 4.06 0.75 1.60 1.01 -1.26 -5.02 120.40 122.86 1kds s VAL 191 Ca -0.03 1.27 -0.11 0.00 0.00 0.00 0.00 61.98 63.11 1kds s VAL 191 Cb -0.19 -3.85 0.04 0.00 0.00 0.00 0.00 36.38 32.39 1kds s VAL 191 CO -0.00 -0.14 1.09 -2.16 0.00 0.00 0.00 175.10 173.88 1kds s PRO 192 N 3.73 2.41 0.26 2.72 0.04 -1.26 -4.84 135.00 138.06 1kds s PRO 192 Ca 0.61 1.15 -0.03 0.00 0.04 0.00 0.00 61.00 62.77 1kds s PRO 192 Cb -0.25 -1.92 0.55 0.00 0.04 0.00 0.00 34.50 32.92 1kds s PRO 192 CO 0.20 -1.53 1.64 -1.35 0.04 0.00 0.00 177.00 176.00 1kds h PRO 193 N -0.97 0.14 -0.17 0.56 0.11 -2.01 -0.89 132.00 128.77 1kds h PRO 193 Ca -0.44 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.71 1kds h PRO 193 Cb 1.23 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1kds h PRO 193 CO 0.52 0.10 0.15 0.00 -0.21 0.00 0.00 178.00 178.56 1kds h ALA 194 N 1.74 1.92 0.00 -0.75 0.00 -2.03 -2.03 119.26 118.10 1kds h ALA 194 Ca 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1kds h ALA 194 Cb 0.88 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1kds h ALA 194 CO -0.66 -0.24 -0.85 0.39 0.00 0.00 0.00 179.25 177.89 1kds n GLU 195 N -4.07 0.06 -0.31 0.00 -0.58 -0.36 -4.38 120.64 111.00 1kds n GLU 195 Ca 0.01 -0.00 0.19 0.00 -0.42 0.00 0.00 57.16 56.94 1kds n GLU 195 Cb 0.28 -1.51 0.46 0.00 -0.57 0.00 0.00 31.44 30.09 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 0.00 0.48 0.00 3.49 5.08 -1.14 0.13 114.58 122.62 1kds h GLU 196 Ca 0.00 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1kds h GLU 196 Cb 0.54 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1kds h GLU 196 CO 0.00 0.32 -0.21 1.57 -1.00 0.00 0.00 179.01 179.69 1kds h LYS 197 N 0.50 0.00 -0.00 2.33 2.10 -1.76 -2.21 116.57 117.52 1kds h LYS 197 Ca 0.57 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.22 1kds h LYS 197 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1kds h LYS 197 CO -0.30 0.21 -0.54 0.09 -2.00 0.00 0.00 179.45 176.91 1kds n ASN 198 N -4.16 0.55 -4.58 7.07 3.02 0.41 -4.84 115.26 112.73 1kds n ASN 198 Ca -0.02 -0.33 -0.42 0.00 -0.03 0.00 0.00 54.58 53.78 1kds n ASN 198 Cb 0.27 0.31 -0.03 0.00 -0.61 0.00 0.00 39.78 39.73 1kds n ASN 198 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1kds s TYR 199 N -2.99 2.29 0.75 3.10 5.04 -0.83 -0.87 117.35 123.83 1kds s TYR 199 Ca 0.11 0.54 -0.13 0.00 -2.44 0.00 0.00 57.07 55.15 1kds s TYR 199 Cb 0.17 -4.36 0.05 0.00 0.35 0.00 0.00 41.96 38.17 1kds s TYR 199 CO 0.71 -2.00 1.12 0.00 -1.34 0.00 0.00 175.55 174.05 1kds s ALA 200 N 6.01 2.19 0.05 3.97 0.00 -0.87 -4.93 121.76 128.18 1kds s ALA 200 Ca 0.55 0.50 -0.13 0.00 0.00 0.00 0.00 51.96 52.89 1kds s ALA 200 Cb -0.12 -3.34 -0.06 0.00 0.00 0.00 0.00 23.12 19.60 1kds s ALA 200 CO 0.27 -1.76 0.42 -1.58 0.00 0.00 0.00 175.76 173.11 1kds s TRP 201 N -2.54 3.66 0.41 0.00 0.52 -0.26 -4.94 118.94 115.80 1kds s TRP 201 Ca 0.66 0.93 -0.02 0.00 0.02 0.00 0.00 56.10 57.69 1kds s TRP 201 Cb -0.21 -2.25 -0.03 0.00 -1.15 0.00 0.00 33.47 29.83 1kds s TRP 201 CO 0.50 0.57 0.66 0.20 0.02 0.00 0.00 176.95 178.90 1kds s GLY 202 N -1.40 1.42 -0.08 0.98 0.00 0.00 -4.82 107.32 103.43 1kds s GLY 202 Ca 0.29 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 44.27 1kds s GLY 202 CO 0.16 -0.63 -0.05 -0.19 0.00 0.00 0.00 173.10 172.38 1kds s TYR 203 N -2.52 1.06 -0.10 1.90 1.51 -0.96 0.02 117.35 118.27 1kds s TYR 203 Ca 0.44 -0.41 -0.02 0.00 -1.01 0.00 0.00 57.07 56.07 1kds s TYR 203 Cb -0.10 -0.93 0.04 0.00 -0.11 0.00 0.00 41.96 40.85 1kds s TYR 203 CO 0.40 -0.34 0.03 0.50 -1.11 0.00 0.00 175.55 175.03 1kds s ARG 204 N 1.38 0.46 -1.26 -0.62 3.52 -0.25 -4.43 118.95 117.76 1kds s ARG 204 Ca -0.03 0.04 -0.06 0.00 -0.13 0.00 0.00 55.73 55.55 1kds s ARG 204 Cb -0.13 -1.18 0.01 0.00 -1.56 0.00 0.00 34.95 32.08 1kds s ARG 204 CO -0.03 -0.40 1.08 0.39 -0.81 0.00 0.00 175.30 175.53 1kds n GLU 205 N 5.17 -7.27 -0.14 5.12 -0.58 -1.26 -1.78 120.64 119.90 1kds n GLU 205 Ca -0.07 0.80 0.00 0.00 -0.42 0.00 0.00 57.16 57.47 1kds n GLU 205 Cb 0.49 -5.74 0.00 0.00 -0.57 0.00 0.00 31.44 25.62 1kds n GLU 205 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1kds n GLY 206 N -1.70 1.37 3.84 0.62 0.00 -1.26 -4.97 105.19 103.08 1kds n GLY 206 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 1kds n GLY 206 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kds s LYS 207 N -0.09 3.79 -0.04 1.61 -2.85 -0.73 -5.06 119.74 116.37 1kds s LYS 207 Ca 0.00 0.16 -0.30 0.00 -1.00 0.00 0.00 55.97 54.83 1kds s LYS 207 Cb 0.00 -3.24 -0.03 0.00 -2.06 0.00 0.00 37.83 32.50 1kds s LYS 207 CO 0.00 0.66 1.07 0.00 0.10 0.00 0.00 175.35 177.18 1kds s ALA 208 N -0.82 3.36 0.05 0.59 0.00 -1.26 -1.09 121.76 122.59 1kds s ALA 208 Ca 0.19 0.55 -0.01 0.00 0.00 0.00 0.00 51.96 52.69 1kds s ALA 208 Cb -0.14 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 1kds s ALA 208 CO 0.08 -0.51 -0.03 0.14 0.00 0.00 0.00 175.76 175.44 1kds s VAL 209 N 1.65 0.21 0.10 0.00 -7.23 0.10 -4.92 120.40 110.31 1kds s VAL 209 Ca 0.53 -1.74 0.06 0.00 -1.81 0.00 0.00 61.98 59.01 1kds s VAL 209 Cb -0.22 -1.43 -0.03 0.00 0.56 0.00 0.00 36.38 35.25 1kds s VAL 209 CO 0.23 -0.96 -0.15 -1.00 -0.31 0.00 0.00 175.10 172.91 1kds s HIS 210 N -3.75 1.36 0.32 2.82 3.76 -1.26 -0.82 115.29 117.73 1kds s HIS 210 Ca 0.05 -0.50 -0.29 0.00 -0.15 0.00 0.00 55.06 54.18 1kds s HIS 210 Cb 0.07 -0.74 -0.12 0.00 1.11 0.00 0.00 32.58 32.90 1kds s HIS 210 CO -0.09 0.11 1.39 1.55 -0.85 0.00 0.00 174.74 176.85 1kds n VAL 211 N 0.93 1.68 -3.17 -0.90 3.14 -1.26 -4.98 118.33 113.77 1kds n VAL 211 Ca -0.19 -0.42 -0.36 0.00 -2.96 0.00 0.00 64.34 60.41 1kds n VAL 211 Cb 0.55 -1.69 -0.06 0.00 -1.06 0.00 0.00 33.84 31.58 1kds n VAL 211 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1kds s SER 212 N -0.05 7.03 0.77 6.55 0.01 -1.26 -5.05 113.70 121.70 1kds s SER 212 Ca 0.58 1.34 -0.14 0.00 1.31 0.00 0.00 55.95 59.04 1kds s SER 212 Cb -0.55 -2.39 0.06 0.00 0.21 0.00 0.00 66.02 63.35 1kds s SER 212 CO 0.58 0.09 1.22 -2.16 0.41 0.00 0.00 173.24 173.39 1kds s PRO 213 N -1.80 1.84 0.07 12.44 0.04 -1.26 -5.01 135.00 141.32 1kds s PRO 213 Ca 0.39 1.81 -0.27 0.00 0.04 0.00 0.00 61.00 62.98 1kds s PRO 213 Cb -0.17 -1.79 0.08 0.00 0.04 0.00 0.00 34.50 32.66 1kds s PRO 213 CO 0.21 -2.08 0.95 0.20 0.04 0.00 0.00 177.00 176.32 1kds s GLY 214 N -2.01 -0.35 0.16 0.56 0.00 -1.26 -5.06 107.32 99.37 1kds s GLY 214 Ca 0.75 0.57 -0.31 0.00 0.00 0.00 0.00 44.72 45.73 1kds s GLY 214 CO 0.48 0.17 1.49 0.00 0.00 0.00 0.00 173.10 175.24 1kds s ALA 215 N -3.15 3.70 -1.70 3.20 0.00 -1.26 -2.21 121.76 120.33 1kds s ALA 215 Ca 0.09 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.34 1kds s ALA 215 Cb -0.01 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1kds s ALA 215 CO -0.03 -0.72 0.00 1.28 0.00 0.00 0.00 175.76 176.29 1kds n LEU 216 N 3.74 -1.54 -0.02 0.00 4.77 -1.26 -4.86 117.00 117.83 1kds n LEU 216 Ca 0.12 0.22 -0.12 0.00 -0.03 0.00 0.00 56.01 56.20 1kds n LEU 216 Cb 0.40 -2.54 -0.07 0.00 -2.33 0.00 0.00 43.42 38.88 1kds n LEU 216 CO 0.60 -0.57 0.78 -2.24 -1.33 0.00 0.00 177.39 174.64 1kds h ASP 217 N 0.00 0.13 -0.56 -1.43 3.04 -1.85 -2.09 116.42 113.65 1kds h ASP 217 Ca -0.39 -0.23 0.08 0.00 -3.24 0.00 0.00 57.03 53.24 1kds h ASP 217 Cb 1.23 -0.03 -0.06 0.00 -1.04 0.00 0.00 39.33 39.43 1kds h ASP 217 CO 0.51 0.33 0.23 0.00 -2.04 0.00 0.00 179.24 178.27 1kds h ALA 218 N 0.81 0.72 0.00 4.15 0.00 -1.90 0.30 119.26 123.33 1kds h ALA 218 Ca 0.03 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1kds h ALA 218 Cb 0.25 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1kds h ALA 218 CO 0.00 -0.17 -0.29 0.93 0.00 0.00 0.00 179.25 179.72 1kds h GLU 219 N 0.42 0.00 0.00 0.00 3.07 -1.87 -3.30 114.58 112.90 1kds h GLU 219 Ca 0.27 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 59.01 1kds h GLU 219 Cb 0.29 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.18 1kds h GLU 219 CO -0.26 0.29 -1.55 0.00 -1.40 0.00 0.00 179.01 176.09 1kds n ALA 220 N -2.29 1.89 -2.00 3.43 0.00 -0.79 -4.60 120.51 116.16 1kds n ALA 220 Ca -0.01 -0.50 -0.02 0.00 0.00 0.00 0.00 53.44 52.92 1kds n ALA 220 Cb 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.86 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 -2.22 0.00 0.31 0.00 0.18 0.81 -4.12 117.16 112.12 1kds n TYR 221 Ca -0.12 -0.13 0.10 0.00 1.88 0.00 0.00 57.90 59.63 1kds n TYR 221 Cb 0.68 0.31 0.26 0.00 -0.38 0.00 0.00 39.34 40.21 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 1.52 3.79 -7.48 0.00 0.14 -3.79 105.19 99.38 1kds n GLY 222 Ca -0.07 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.33 4.66 -0.03 1.61 1.01 -1.26 -4.37 120.40 120.69 1kds s VAL 223 Ca 0.37 1.40 0.07 0.00 0.00 0.00 0.00 61.98 63.83 1kds s VAL 223 Cb 0.20 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 1kds s VAL 223 CO 0.26 0.50 -0.25 -0.54 0.00 0.00 0.00 175.10 175.08 1kds s LYS 224 N -0.85 2.12 0.35 2.72 3.01 0.24 -0.88 119.74 126.45 1kds s LYS 224 Ca 0.32 -0.89 -0.10 0.00 -1.01 0.00 0.00 55.97 54.29 1kds s LYS 224 Cb -0.20 -1.99 0.02 0.00 -1.01 0.00 0.00 37.83 34.65 1kds s LYS 224 CO 0.21 0.50 0.62 0.45 0.51 0.00 0.00 175.35 177.64 1kds s SER 225 N -0.49 0.39 0.28 2.83 0.15 -0.52 -0.94 113.70 115.39 1kds s SER 225 Ca 0.07 -1.25 0.08 0.00 0.70 0.00 0.00 55.95 55.54 1kds s SER 225 Cb -0.10 0.74 -0.04 0.00 -1.71 0.00 0.00 66.02 64.91 1kds s SER 225 CO -0.00 -1.45 0.16 0.42 1.20 0.00 0.00 173.24 173.57 1kds s THR 226 N -2.88 3.90 0.50 6.45 -4.23 -1.25 -0.33 115.64 117.80 1kds s THR 226 Ca 0.23 -1.56 0.15 0.00 -1.18 0.00 0.00 61.69 59.33 1kds s THR 226 Cb -0.03 -3.19 0.26 0.00 1.34 0.00 0.00 72.50 70.89 1kds s THR 226 CO 0.15 -0.31 2.12 -0.29 -0.54 0.00 0.00 174.62 175.75 1kds h ILE 227 N 1.56 1.03 -0.06 2.99 6.09 -1.75 0.50 117.51 127.87 1kds h ILE 227 Ca -0.46 -0.10 -0.03 0.00 -1.37 0.00 0.00 64.86 62.91 1kds h ILE 227 Cb 1.25 0.98 -0.00 0.00 0.47 0.00 0.00 36.82 39.51 1kds h ILE 227 CO 0.60 0.03 -0.07 -0.33 -3.07 0.00 0.00 178.15 175.32 1kds h GLU 228 N 0.07 0.14 -0.70 2.19 5.08 -1.95 -1.52 114.58 117.89 1kds h GLU 228 Ca 0.02 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1kds h GLU 228 Cb 0.03 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1kds h GLU 228 CO -0.00 0.61 0.18 -0.44 -1.00 0.00 0.00 179.01 178.36 1kds h ASP 229 N -0.32 1.04 0.12 1.42 3.45 -1.77 -1.97 116.42 118.40 1kds h ASP 229 Ca 0.01 -0.21 -0.05 0.00 0.43 0.00 0.00 57.03 57.20 1kds h ASP 229 Cb 0.59 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 39.08 1kds h ASP 229 CO 0.02 0.99 -0.19 0.24 -1.57 0.00 0.00 179.24 178.73 1kds h MET 230 N 1.05 0.14 -0.25 3.56 2.86 -0.89 0.87 114.93 122.27 1kds h MET 230 Ca 0.22 -0.04 -0.14 0.00 -2.06 0.00 0.00 59.70 57.69 1kds h MET 230 Cb 0.35 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 1kds h MET 230 CO -0.00 0.33 -0.41 0.00 1.06 0.00 0.00 176.91 177.89 1kds h ALA 231 N 1.68 0.81 -0.30 6.32 0.00 -0.76 -1.92 119.26 125.08 1kds h ALA 231 Ca 0.03 -0.45 -0.15 0.00 0.00 0.00 0.00 54.91 54.34 1kds h ALA 231 Cb 0.42 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1kds h ALA 231 CO 0.03 0.65 -0.42 0.07 0.00 0.00 0.00 179.25 179.58 1kds h ARG 232 N 0.50 0.75 -0.97 0.00 0.11 -0.52 -1.96 114.38 112.28 1kds h ARG 232 Ca 0.04 -0.40 0.03 0.00 0.10 0.00 0.00 59.98 59.75 1kds h ARG 232 Cb 0.93 0.02 -0.05 0.00 1.11 0.00 0.00 29.97 31.97 1kds h ARG 232 CO 0.08 1.03 0.63 2.35 0.10 0.00 0.00 179.97 184.16 1kds h TRP 233 N 0.61 1.19 -0.24 4.08 -0.00 -0.58 -0.62 115.95 120.38 1kds h TRP 233 Ca 0.04 0.03 -0.18 0.00 -0.00 0.00 0.00 58.89 58.79 1kds h TRP 233 Cb 0.98 -0.40 0.00 0.00 -0.00 0.00 0.00 29.16 29.74 1kds h TRP 233 CO 0.05 0.71 -0.54 0.28 -0.00 0.00 0.00 178.44 178.93 1kds h VAL 234 N 1.25 1.29 -0.68 2.65 2.07 -1.19 -2.40 116.25 119.24 1kds h VAL 234 Ca 0.38 -1.74 -0.03 0.00 0.82 0.00 0.00 66.70 66.13 1kds h VAL 234 Cb -0.04 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 1kds h VAL 234 CO -0.11 0.56 0.31 1.56 0.02 0.00 0.00 177.57 179.90 1kds h GLN 235 N 0.54 0.97 -0.54 1.57 4.20 -0.94 0.19 115.11 121.10 1kds h GLN 235 Ca 0.00 -0.14 -0.12 0.00 0.06 0.00 0.00 58.65 58.46 1kds h GLN 235 Cb 1.15 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.74 1kds h GLN 235 CO 0.12 0.76 -0.11 0.77 -0.67 0.00 0.00 178.83 179.70 1kds h SER 236 N 0.96 1.04 1.18 1.46 0.02 -1.07 -1.40 113.55 115.75 1kds h SER 236 Ca 0.23 -0.35 -0.07 0.00 -0.84 0.00 0.00 61.79 60.76 1kds h SER 236 Cb 0.13 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1kds h SER 236 CO -0.03 1.15 -0.32 0.78 -1.14 0.00 0.00 176.83 177.27 1kds h ASN 237 N 0.91 0.00 0.02 3.07 2.35 -0.97 -2.50 115.58 118.47 1kds h ASN 237 Ca 0.14 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.64 1kds h ASN 237 Cb 0.69 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.08 1kds h ASN 237 CO 0.05 0.32 -1.00 -0.07 -1.65 0.00 0.00 177.43 175.08 1kds h LEU 238 N 0.00 0.84 -6.34 1.61 3.38 -0.38 -3.39 115.31 111.03 1kds h LEU 238 Ca -0.00 -0.76 -0.59 0.00 0.09 0.00 0.00 57.88 56.62 1kds h LEU 238 Cb 1.00 -0.26 -0.40 0.00 0.09 0.00 0.00 40.66 41.09 1kds h LEU 238 CO 0.04 1.50 -0.83 0.29 0.09 0.00 0.00 178.44 179.53 1kds n LYS 239 N -3.91 1.34 -0.03 1.13 5.02 -0.55 -4.83 118.16 116.33 1kds n LYS 239 Ca -0.11 -3.87 0.01 0.00 -2.02 0.00 0.00 58.31 52.32 1kds n LYS 239 Cb 0.86 -1.81 0.33 0.00 -0.02 0.00 0.00 35.03 34.39 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 4.65 0.61 0.00 1.97 0.13 -1.66 -2.56 132.00 135.14 1kds h PRO 240 Ca 0.16 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1kds h PRO 240 Cb 0.80 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1kds h PRO 240 CO 0.60 0.50 0.00 -0.07 -0.23 0.00 0.00 178.00 178.80 1kds h LEU 241 N 0.61 0.00 -0.85 1.56 4.07 -1.89 0.51 115.31 119.32 1kds h LEU 241 Ca 0.15 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.11 1kds h LEU 241 Cb 0.12 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.86 1kds h LEU 241 CO -0.02 0.00 0.00 0.47 -1.08 0.00 0.00 178.44 177.81 1kds n ASP 242 N -2.50 1.31 -4.70 -0.43 10.43 -0.96 -4.86 116.55 114.84 1kds n ASP 242 Ca -0.02 -1.49 -0.40 0.00 2.57 0.00 0.00 54.79 55.46 1kds n ASP 242 Cb 0.06 -0.02 -0.05 0.00 1.84 0.00 0.00 41.12 42.95 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 -1.95 5.03 0.11 0.53 1.01 0.17 -4.98 121.20 121.11 1kds s ILE 243 Ca 0.37 1.39 -0.21 0.00 0.00 0.00 0.00 60.65 62.21 1kds s ILE 243 Cb 0.20 -4.02 -0.09 0.00 0.01 0.00 0.00 42.46 38.56 1kds s ILE 243 CO 0.32 0.20 1.73 -0.55 0.00 0.00 0.00 174.94 176.64 1kds h ASN 244 N 6.96 0.18 -2.43 3.58 -1.07 -1.89 -3.42 115.58 117.49 1kds h ASN 244 Ca -0.38 -0.05 -0.56 0.00 0.07 0.00 0.00 56.30 55.38 1kds h ASN 244 Cb 1.18 -0.05 -0.01 0.00 -2.07 0.00 0.00 38.32 37.38 1kds h ASN 244 CO 0.77 0.17 1.26 -1.61 0.07 0.00 0.00 177.43 178.09 1kds s GLU 245 N -6.02 3.70 0.18 4.14 0.41 -1.26 -4.90 118.70 114.96 1kds s GLU 245 Ca -0.13 2.04 -0.12 0.00 -0.41 0.00 0.00 54.97 56.36 1kds s GLU 245 Cb 0.07 -4.17 0.10 0.00 -1.78 0.00 0.00 34.13 28.36 1kds s GLU 245 CO 0.69 -1.43 1.79 1.57 -0.49 0.00 0.00 175.26 177.39 1kds h LYS 246 N 11.94 0.91 0.00 1.61 2.10 -2.00 -1.01 116.57 130.12 1kds h LYS 246 Ca -0.40 -0.12 -0.13 0.00 -2.00 0.00 0.00 60.65 58.00 1kds h LYS 246 Cb 1.20 -0.17 -0.02 0.00 -0.90 0.00 0.00 32.23 32.34 1kds h LYS 246 CO 0.97 0.70 -0.64 1.79 -2.00 0.00 0.00 179.45 180.28 1kds h THR 247 N 0.88 1.34 -0.16 0.07 1.35 -1.92 -2.26 112.91 112.23 1kds h THR 247 Ca 0.23 -2.26 -0.22 0.00 -0.55 0.00 0.00 66.41 63.60 1kds h THR 247 Cb 0.07 2.26 0.01 0.00 -1.73 0.00 0.00 68.15 68.76 1kds h THR 247 CO -0.03 0.62 -0.78 0.25 -0.25 0.00 0.00 175.52 175.33 1kds h LEU 248 N 0.00 0.96 -0.19 3.87 5.85 -1.84 0.06 115.31 124.02 1kds h LEU 248 Ca -0.01 -0.63 0.02 0.00 0.84 0.00 0.00 57.88 58.10 1kds h LEU 248 Cb 1.21 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 1kds h LEU 248 CO 0.08 1.43 0.07 -0.61 -0.34 0.00 0.00 178.44 179.07 1kds h GLN 249 N 0.55 0.16 -0.22 1.25 4.15 -1.10 -0.69 115.11 119.20 1kds h GLN 249 Ca -0.05 -0.01 -0.10 0.00 0.77 0.00 0.00 58.65 59.26 1kds h GLN 249 Cb 1.41 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 29.05 1kds h GLN 249 CO 0.16 0.10 -0.28 1.96 -1.93 0.00 0.00 178.83 178.85 1kds h GLN 250 N 0.16 0.43 -0.63 1.69 4.20 -1.38 -2.98 115.11 116.60 1kds h GLN 250 Ca 0.08 -0.17 -0.07 0.00 0.06 0.00 0.00 58.65 58.55 1kds h GLN 250 Cb 0.05 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 1kds h GLN 250 CO -0.08 0.67 0.10 0.78 -0.67 0.00 0.00 178.83 179.63 1kds h GLY 251 N 1.04 1.11 1.19 3.46 0.00 -0.40 -1.43 103.07 108.04 1kds h GLY 251 Ca 0.05 -0.72 -0.05 0.00 0.00 0.00 0.00 47.33 46.61 1kds h GLY 251 CO 0.05 0.67 0.20 -2.22 0.00 0.00 0.00 176.54 175.24 1kds h ILE 252 N 0.97 1.25 -0.20 2.60 2.04 -1.00 -1.69 117.51 121.47 1kds h ILE 252 Ca 0.19 -0.86 -0.14 0.00 1.00 0.00 0.00 64.86 65.05 1kds h ILE 252 Cb 0.42 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1kds h ILE 252 CO 0.01 0.33 -0.45 1.56 0.00 0.00 0.00 178.15 179.61 1kds h GLN 253 N 0.98 0.49 -0.15 2.37 4.20 -1.36 -2.70 115.11 118.94 1kds h GLN 253 Ca 0.22 -0.26 -0.13 0.00 0.06 0.00 0.00 58.65 58.53 1kds h GLN 253 Cb 0.29 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1kds h GLN 253 CO -0.01 0.84 -0.48 -0.07 -0.67 0.00 0.00 178.83 178.45 1kds h LEU 254 N 0.40 0.41 -1.29 1.46 3.38 -0.99 -2.73 115.31 115.95 1kds h LEU 254 Ca 0.03 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1kds h LEU 254 Cb 0.94 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 1kds h LEU 254 CO 0.08 0.83 -0.16 0.00 0.09 0.00 0.00 178.44 179.28 1kds h ALA 255 N 1.18 1.04 -0.67 1.53 0.00 -1.11 -2.61 119.26 118.62 1kds h ALA 255 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1kds h ALA 255 Cb 0.96 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1kds h ALA 255 CO 0.08 0.20 0.00 1.04 0.00 0.00 0.00 179.25 180.58 1kds n GLN 256 N -3.35 3.05 -2.30 0.00 6.02 -1.04 -1.10 117.38 118.67 1kds n GLN 256 Ca -0.00 -2.69 -0.32 0.00 -0.01 0.00 0.00 57.00 53.98 1kds n GLN 256 Cb 0.38 -1.65 -0.02 0.00 1.02 0.00 0.00 30.24 29.97 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 -0.99 6.37 -0.47 1.08 0.01 -0.98 -3.89 113.70 114.82 1kds s SER 257 Ca 0.48 1.66 -0.16 0.00 1.31 0.00 0.00 55.95 59.23 1kds s SER 257 Cb 0.27 -2.52 0.06 0.00 0.21 0.00 0.00 66.02 64.04 1kds s SER 257 CO 0.29 -0.76 0.42 -0.13 0.41 0.00 0.00 173.24 173.46 1kds s ARG 258 N -4.03 3.00 -0.11 12.44 0.52 0.12 -3.91 118.95 126.97 1kds s ARG 258 Ca 0.61 -1.23 0.06 0.00 -0.52 0.00 0.00 55.73 54.65 1kds s ARG 258 Cb -0.12 -4.10 -0.24 0.00 0.52 0.00 0.00 34.95 31.01 1kds s ARG 258 CO 0.32 -1.01 0.39 0.66 0.02 0.00 0.00 175.30 175.68 1kds n TYR 259 N 5.34 0.85 -4.07 -0.53 4.01 -0.71 -2.51 117.16 119.54 1kds n TYR 259 Ca -0.11 0.24 -0.09 0.00 -0.16 0.00 0.00 57.90 57.78 1kds n TYR 259 Cb 0.44 -1.14 -0.11 0.00 -0.31 0.00 0.00 39.34 38.23 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 -2.56 0.56 -0.03 -0.72 0.52 -1.23 -1.95 118.94 113.53 1kds s TRP 260 Ca -0.14 -0.79 0.05 0.00 0.02 0.00 0.00 56.10 55.24 1kds s TRP 260 Cb 0.07 -0.37 -0.01 0.00 -1.15 0.00 0.00 33.47 32.02 1kds s TRP 260 CO 0.78 -0.22 -0.17 -1.14 0.02 0.00 0.00 176.95 176.22 1kds s GLN 261 N -2.81 1.65 -0.20 4.98 0.74 -0.13 -1.10 119.66 122.79 1kds s GLN 261 Ca -0.01 -0.62 -0.04 0.00 0.05 0.00 0.00 55.36 54.74 1kds s GLN 261 Cb -0.01 -1.49 0.09 0.00 1.10 0.00 0.00 33.01 32.71 1kds s GLN 261 CO -0.05 0.30 0.23 -0.08 -0.55 0.00 0.00 175.29 175.14 1kds s THR 262 N -0.14 -0.34 0.00 -0.34 -1.32 -0.20 -0.53 115.64 112.78 1kds s THR 262 Ca 0.00 -0.10 0.00 0.00 -1.21 0.00 0.00 61.69 60.39 1kds s THR 262 Cb -0.10 -0.67 0.00 0.00 -1.51 0.00 0.00 72.50 70.22 1kds s THR 262 CO 0.01 -0.19 0.00 0.61 -2.21 0.00 0.00 174.62 172.84 1kds n GLY 263 N 5.32 2.36 1.38 6.08 0.00 -1.26 -1.60 105.19 117.48 1kds n GLY 263 Ca -0.05 -0.32 0.08 0.00 0.00 0.00 0.00 46.02 45.72 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 6.16 4.61 -4.59 1.61 5.75 -1.26 -4.95 116.55 123.88 1kds n ASP 264 Ca 0.00 -2.69 -0.31 0.00 -0.01 0.00 0.00 54.79 51.78 1kds n ASP 264 Cb 0.00 -0.56 -0.10 0.00 -1.03 0.00 0.00 41.12 39.43 1kds n ASP 264 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 1kds s MET 265 N -2.28 2.43 0.08 0.11 0.00 -0.63 -4.45 119.30 114.56 1kds s MET 265 Ca 0.47 -0.81 0.09 0.00 0.00 0.00 0.00 55.69 55.43 1kds s MET 265 Cb 0.34 -2.44 -0.03 0.00 0.00 0.00 0.00 34.83 32.69 1kds s MET 265 CO 0.17 0.57 -0.22 0.71 0.00 0.00 0.00 175.02 176.25 1kds s TYR 266 N -1.06 2.43 -0.26 4.11 1.51 0.12 -1.03 117.35 123.17 1kds s TYR 266 Ca 0.19 -0.33 -0.08 0.00 -1.01 0.00 0.00 57.07 55.84 1kds s TYR 266 Cb -0.11 -1.37 -0.02 0.00 -0.11 0.00 0.00 41.96 40.34 1kds s TYR 266 CO 0.10 0.26 0.09 -1.14 -1.11 0.00 0.00 175.55 173.75 1kds s GLN 267 N -1.66 3.60 0.00 -0.62 2.00 -0.26 -1.34 119.66 121.37 1kds s GLN 267 Ca 0.14 -0.52 0.00 0.00 -2.00 0.00 0.00 55.36 52.98 1kds s GLN 267 Cb -0.10 -3.38 0.00 0.00 0.80 0.00 0.00 33.01 30.33 1kds s GLN 267 CO 0.06 -0.23 0.00 0.41 -0.50 0.00 0.00 175.29 175.02 1kds n GLY 268 N 4.94 2.16 3.33 2.59 0.00 -0.49 -1.73 105.19 115.98 1kds n GLY 268 Ca -0.16 -1.96 -0.46 0.00 0.00 0.00 0.00 46.02 43.45 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 6.06 0.00 0.99 1.43 -0.26 -4.58 118.68 122.32 1kds s LEU 269 Ca 0.00 -1.69 0.00 0.00 -1.03 0.00 0.00 54.13 51.41 1kds s LEU 269 Cb 0.00 -2.21 0.00 0.00 0.03 0.00 0.00 46.19 44.01 1kds s LEU 269 CO 0.00 -0.83 0.00 0.61 0.23 0.00 0.00 176.35 176.36 1kds n GLY 270 N 5.24 2.04 3.76 -3.19 0.00 -1.26 -4.28 105.19 107.50 1kds n GLY 270 Ca -0.14 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 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 2.51 0.05 1.61 0.52 -1.26 -4.68 118.94 117.69 1kds s TRP 271 Ca 0.00 1.52 0.08 0.00 0.02 0.00 0.00 56.10 57.71 1kds s TRP 271 Cb 0.00 -3.44 -0.03 0.00 -1.15 0.00 0.00 33.47 28.85 1kds s TRP 271 CO 0.00 -2.01 -0.22 -1.21 0.02 0.00 0.00 176.95 173.52 1kds s GLU 272 N -3.21 1.50 0.08 4.98 2.02 -1.03 -1.40 118.70 121.63 1kds s GLU 272 Ca 0.74 -1.00 0.02 0.00 0.02 0.00 0.00 54.97 54.76 1kds s GLU 272 Cb -0.29 -1.64 -0.04 0.00 0.10 0.00 0.00 34.13 32.26 1kds s GLU 272 CO 0.33 0.42 -0.07 -1.64 0.02 0.00 0.00 175.26 174.31 1kds s MET 273 N -1.21 0.73 0.01 1.61 -1.94 -0.45 -1.28 119.30 116.77 1kds s MET 273 Ca 0.09 -1.13 -0.02 0.00 -1.71 0.00 0.00 55.69 52.91 1kds s MET 273 Cb -0.09 -0.24 -0.01 0.00 2.01 0.00 0.00 34.83 36.49 1kds s MET 273 CO 0.02 0.01 0.02 -0.51 -0.01 0.00 0.00 175.02 174.54 1kds s LEU 274 N -2.53 2.04 0.53 -0.03 1.02 -0.85 0.16 118.68 119.02 1kds s LEU 274 Ca 0.04 -0.40 -0.20 0.00 0.02 0.00 0.00 54.13 53.58 1kds s LEU 274 Cb -0.00 0.26 -0.06 0.00 0.02 0.00 0.00 46.19 46.41 1kds s LEU 274 CO -0.03 -0.31 1.15 -1.81 0.02 0.00 0.00 176.35 175.37 1kds s ASP 275 N -1.40 5.78 -0.04 2.29 -0.00 -1.26 -0.40 116.67 121.63 1kds s ASP 275 Ca -0.15 2.25 0.01 0.00 -0.00 0.00 0.00 52.55 54.65 1kds s ASP 275 Cb -0.09 -2.59 -0.03 0.00 -0.00 0.00 0.00 42.92 40.21 1kds s ASP 275 CO -0.00 -1.18 -0.03 0.86 -0.00 0.00 0.00 175.17 174.81 1kds s TRP 276 N -1.68 3.02 0.62 4.23 -0.11 -0.28 -3.59 118.94 121.15 1kds s TRP 276 Ca 0.71 0.07 -0.17 0.00 1.22 0.00 0.00 56.10 57.93 1kds s TRP 276 Cb -0.26 -1.70 -0.02 0.00 -1.50 0.00 0.00 33.47 29.99 1kds s TRP 276 CO 0.30 0.41 1.13 -1.25 -4.62 0.00 0.00 176.95 172.92 1kds s PRO 277 N -1.13 2.94 0.24 5.86 0.04 -1.26 -4.84 135.00 136.85 1kds s PRO 277 Ca 0.15 1.53 0.07 0.00 0.04 0.00 0.00 61.00 62.79 1kds s PRO 277 Cb -0.11 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 1kds s PRO 277 CO 0.05 -1.16 0.15 0.54 0.04 0.00 0.00 177.00 176.62 1kds s VAL 278 N -2.06 4.26 -0.34 -0.36 0.11 -1.24 -5.08 120.40 115.68 1kds s VAL 278 Ca 0.70 -1.46 -0.22 0.00 -2.93 0.00 0.00 61.98 58.07 1kds s VAL 278 Cb -0.23 -3.28 0.00 0.00 -1.53 0.00 0.00 36.38 31.34 1kds s VAL 278 CO 0.36 -0.32 0.73 0.21 -3.33 0.00 0.00 175.10 172.75 1kds s ASN 279 N -3.71 6.54 0.29 3.54 2.47 -1.26 -4.94 114.94 117.86 1kds s ASN 279 Ca 0.32 0.38 0.03 0.00 0.42 0.00 0.00 52.86 54.01 1kds s ASN 279 Cb -0.08 -2.37 0.65 0.00 -1.45 0.00 0.00 41.25 38.00 1kds s ASN 279 CO 0.24 -0.64 1.79 -0.65 -3.72 0.00 0.00 177.10 174.12 1kds h PRO 280 N 8.37 0.80 -0.81 0.43 0.11 -2.00 -0.37 132.00 138.52 1kds h PRO 280 Ca -0.25 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.79 1kds h PRO 280 Cb 1.10 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 31.99 1kds h PRO 280 CO 0.87 0.53 0.43 -0.44 -0.21 0.00 0.00 178.00 179.18 1kds h ASP 281 N 0.82 1.01 0.73 -2.05 5.19 -1.98 -0.83 116.42 119.31 1kds h ASP 281 Ca 0.54 -0.09 -0.03 0.00 -0.62 0.00 0.00 57.03 56.82 1kds h ASP 281 Cb 0.73 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 39.98 1kds h ASP 281 CO -0.34 0.82 -0.43 -1.28 -3.12 0.00 0.00 179.24 174.89 1kds h SER 282 N 1.13 -1.09 0.14 6.45 0.87 -1.47 -0.40 113.55 119.18 1kds h SER 282 Ca 0.28 0.06 -0.14 0.00 -1.23 0.00 0.00 61.79 60.77 1kds h SER 282 Cb 0.05 0.31 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 1kds h SER 282 CO -0.04 -0.68 -0.49 0.16 -0.53 0.00 0.00 176.83 175.25 1kds h ILE 283 N -1.09 1.33 -0.06 2.23 3.07 -1.47 0.89 117.51 122.41 1kds h ILE 283 Ca -0.09 -1.71 -0.01 0.00 1.55 0.00 0.00 64.86 64.59 1kds h ILE 283 Cb 0.87 1.75 -0.00 0.00 -0.27 0.00 0.00 36.82 39.17 1kds h ILE 283 CO 0.11 0.52 -0.01 0.40 -1.05 0.00 0.00 178.15 178.12 1kds h ILE 284 N 0.32 1.29 -0.04 0.16 2.04 -1.12 -2.40 117.51 117.77 1kds h ILE 284 Ca 0.02 -0.89 -0.22 0.00 1.00 0.00 0.00 64.86 64.77 1kds h ILE 284 Cb 0.98 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.83 1kds h ILE 284 CO 0.08 0.24 -0.88 0.78 0.00 0.00 0.00 178.15 178.38 1kds h ASN 285 N -0.23 0.59 0.15 1.72 -0.26 -1.11 -3.14 115.58 113.30 1kds h ASN 285 Ca 0.01 -0.44 -0.01 0.00 -0.56 0.00 0.00 56.30 55.30 1kds h ASN 285 Cb 0.39 -0.18 -0.00 0.00 -1.06 0.00 0.00 38.32 37.47 1kds h ASN 285 CO 0.01 1.23 -0.07 1.23 -1.06 0.00 0.00 177.43 178.76 1kds h GLY 286 N 1.11 0.00 2.00 2.83 0.00 -0.84 -2.12 103.07 106.06 1kds h GLY 286 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1kds h GLY 286 CO 0.16 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.56 1kds n SER 287 N -3.88 0.79 -4.75 0.19 3.41 -0.90 -3.20 113.62 105.26 1kds n SER 287 Ca -0.02 0.63 -0.41 0.00 -0.26 0.00 0.00 58.87 58.80 1kds n SER 287 Cb 0.16 -0.82 -0.02 0.00 -0.26 0.00 0.00 64.21 63.27 1kds n SER 287 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1kds s ASP 288 N -4.47 6.77 0.66 4.04 -1.08 -0.80 -4.63 116.67 117.16 1kds s ASP 288 Ca 0.07 2.59 0.41 0.00 -0.52 0.00 0.00 52.55 55.11 1kds s ASP 288 Cb 0.11 -2.63 2.22 0.00 -1.46 0.00 0.00 42.92 41.16 1kds s ASP 288 CO 0.50 -0.58 2.25 0.78 0.52 0.00 0.00 175.17 178.64 1kds h ASN 289 N 4.53 0.00 -0.13 -0.34 -0.26 -1.89 0.19 115.58 117.68 1kds h ASN 289 Ca -0.47 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.23 1kds h ASN 289 Cb 1.22 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.46 1kds h ASN 289 CO 0.73 0.00 -0.03 0.11 -1.06 0.00 0.00 177.43 177.18 1kds h LYS 290 N 0.00 0.39 0.00 0.81 1.57 -1.93 -2.36 116.57 115.06 1kds h LYS 290 Ca 0.00 -0.08 -0.42 0.00 -1.87 0.00 0.00 60.65 58.28 1kds h LYS 290 Cb 0.15 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.34 1kds h LYS 290 CO 0.00 0.45 -2.34 -0.89 -0.57 0.00 0.00 179.45 176.10 1kds n ILE 291 N -4.30 1.53 -0.18 1.86 5.41 -0.12 -4.17 119.36 119.39 1kds n ILE 291 Ca 0.01 -0.35 0.17 0.00 1.00 0.00 0.00 62.75 63.58 1kds n ILE 291 Cb 0.24 -1.87 0.52 0.00 -0.71 0.00 0.00 39.64 37.82 1kds n ILE 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1kds h ALA 292 N -0.82 2.18 -0.04 -1.39 0.00 -0.68 -2.15 119.26 116.37 1kds h ALA 292 Ca -0.64 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1kds h ALA 292 Cb 1.60 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1kds h ALA 292 CO -0.36 -0.41 0.00 1.28 0.00 0.00 0.00 179.25 179.76 1kds n LEU 293 N -4.48 2.86 -4.87 0.00 4.77 -0.89 -4.65 117.00 109.75 1kds n LEU 293 Ca 0.16 -0.96 -0.31 0.00 -0.03 0.00 0.00 56.01 54.87 1kds n LEU 293 Cb 0.60 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.66 1kds n LEU 293 CO 0.32 0.48 0.56 0.00 -1.33 0.00 0.00 177.39 177.43 1kds s ALA 294 N -1.99 3.22 0.32 -1.18 0.00 -0.81 -4.69 121.76 116.63 1kds s ALA 294 Ca 0.29 -0.09 -0.28 0.00 0.00 0.00 0.00 51.96 51.89 1kds s ALA 294 Cb 0.20 -2.88 -0.09 0.00 0.00 0.00 0.00 23.12 20.34 1kds s ALA 294 CO 0.30 -0.22 1.06 0.00 0.00 0.00 0.00 175.76 176.91 1kds s ALA 295 N -2.61 3.29 -0.00 0.00 0.00 -1.26 -4.67 121.76 116.50 1kds s ALA 295 Ca 0.54 0.80 -0.01 0.00 0.00 0.00 0.00 51.96 53.29 1kds s ALA 295 Cb -0.10 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1kds s ALA 295 CO 0.36 -0.14 0.02 1.03 0.00 0.00 0.00 175.76 177.03 1kds s ARG 296 N -1.79 0.05 0.52 0.00 0.52 -0.49 -4.95 118.95 112.81 1kds s ARG 296 Ca 0.49 -0.03 -0.21 0.00 -0.52 0.00 0.00 55.73 55.46 1kds s ARG 296 Cb -0.28 0.02 -0.06 0.00 0.52 0.00 0.00 34.95 35.16 1kds s ARG 296 CO 0.35 -0.01 1.21 -1.25 0.02 0.00 0.00 175.30 175.62 1kds s PRO 297 N -0.12 3.38 0.11 3.54 0.04 -1.26 -0.32 135.00 140.36 1kds s PRO 297 Ca -0.01 1.84 0.09 0.00 0.04 0.00 0.00 61.00 62.96 1kds s PRO 297 Cb -0.01 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 1kds s PRO 297 CO -0.00 -0.89 -0.23 0.14 0.04 0.00 0.00 177.00 176.07 1kds s VAL 298 N -1.55 1.87 -0.16 -0.36 -7.23 -0.84 -4.62 120.40 107.51 1kds s VAL 298 Ca 0.70 -1.58 -0.03 0.00 -1.81 0.00 0.00 61.98 59.25 1kds s VAL 298 Cb -0.30 -1.68 -0.02 0.00 0.56 0.00 0.00 36.38 34.93 1kds s VAL 298 CO 0.35 0.00 -0.04 -0.75 -0.31 0.00 0.00 175.10 174.35 1kds s LYS 299 N -1.90 3.61 0.19 4.82 2.20 0.32 -4.84 119.74 124.14 1kds s LYS 299 Ca 0.09 -0.55 -0.30 0.00 -0.36 0.00 0.00 55.97 54.85 1kds s LYS 299 Cb -0.10 -2.91 -0.08 0.00 -1.51 0.00 0.00 37.83 33.23 1kds s LYS 299 CO 0.05 0.18 1.13 0.00 -0.36 0.00 0.00 175.35 176.34 1kds s ALA 300 N 0.52 3.39 -0.41 3.13 0.00 -1.26 -0.95 121.76 126.18 1kds s ALA 300 Ca -0.04 0.86 -0.14 0.00 0.00 0.00 0.00 51.96 52.65 1kds s ALA 300 Cb -0.14 -3.37 0.04 0.00 0.00 0.00 0.00 23.12 19.64 1kds s ALA 300 CO 0.03 -0.25 0.29 0.42 0.00 0.00 0.00 175.76 176.24 1kds s ILE 301 N -0.29 5.00 -0.21 0.00 1.01 -0.82 -4.92 121.20 120.97 1kds s ILE 301 Ca 0.50 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 60.32 1kds s ILE 301 Cb -0.31 -3.84 0.04 0.00 0.01 0.00 0.00 42.46 38.37 1kds s ILE 301 CO 0.36 -0.35 -0.10 0.28 0.00 0.00 0.00 174.94 175.13 1kds s THR 302 N 1.62 1.66 0.77 2.92 -1.32 -1.26 -2.12 115.64 117.91 1kds s THR 302 Ca 0.04 -1.06 -0.09 0.00 -1.21 0.00 0.00 61.69 59.36 1kds s THR 302 Cb -0.20 -1.76 0.08 0.00 -1.51 0.00 0.00 72.50 69.12 1kds s THR 302 CO 0.08 0.13 1.10 -2.16 -2.21 0.00 0.00 174.62 171.56 1kds s PRO 303 N 1.38 1.93 0.48 7.08 0.04 -1.26 -5.10 135.00 139.55 1kds s PRO 303 Ca -0.02 -0.19 -0.23 0.00 0.04 0.00 0.00 61.00 60.60 1kds s PRO 303 Cb -0.17 -2.07 -0.08 0.00 0.04 0.00 0.00 34.50 32.22 1kds s PRO 303 CO -0.08 -1.49 1.18 -2.30 0.04 0.00 0.00 177.00 174.35 1kds n PRO 304 N -3.14 1.58 -2.92 0.56 -0.02 -0.90 -4.96 135.00 125.20 1kds n PRO 304 Ca 0.09 0.57 -0.41 0.00 -2.02 0.00 0.00 63.50 61.74 1kds n PRO 304 Cb 0.61 -2.32 -0.04 0.00 -0.02 0.00 0.00 33.50 31.73 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 -1.29 4.97 0.99 3.45 2.01 -1.04 -4.87 115.64 119.85 1kds s THR 305 Ca 0.66 1.66 -0.11 0.00 0.31 0.00 0.00 61.69 64.21 1kds s THR 305 Cb -0.48 -4.14 0.19 0.00 0.01 0.00 0.00 72.50 68.08 1kds s THR 305 CO 0.54 0.19 1.10 -2.84 -0.69 0.00 0.00 174.62 172.92 1kds s PRO 306 N 1.06 0.46 -0.12 4.92 0.02 -1.26 -0.71 135.00 139.38 1kds s PRO 306 Ca 0.42 1.25 -0.40 0.00 0.02 0.00 0.00 61.00 62.28 1kds s PRO 306 Cb -0.19 -1.68 -0.18 0.00 0.02 0.00 0.00 34.50 32.47 1kds s PRO 306 CO 0.20 -2.91 1.39 0.00 -0.33 0.00 0.00 177.00 175.35 1kds n ALA 307 N -4.40 -1.70 -2.58 -1.55 0.00 -1.25 -4.66 120.51 104.37 1kds n ALA 307 Ca 0.08 0.51 -0.40 0.00 0.00 0.00 0.00 53.44 53.64 1kds n ALA 307 Cb 0.53 -1.98 -0.11 0.00 0.00 0.00 0.00 19.45 17.89 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 1.43 5.20 0.27 0.00 1.01 -1.26 -4.99 120.40 122.05 1kds s VAL 308 Ca 0.93 -0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.72 1kds s VAL 308 Cb -1.17 -3.64 0.25 0.00 0.00 0.00 0.00 36.38 31.82 1kds s VAL 308 CO 0.60 0.04 1.80 0.08 0.00 0.00 0.00 175.10 177.62 1kds h ARG 309 N 8.45 0.79 -2.96 2.72 -0.00 -1.98 -3.10 114.38 118.31 1kds h ARG 309 Ca -0.32 -0.05 -0.69 0.00 -0.00 0.00 0.00 59.98 58.92 1kds h ARG 309 Cb 1.16 -0.18 -0.01 0.00 -0.00 0.00 0.00 29.97 30.94 1kds h ARG 309 CO 0.62 0.52 3.48 0.00 -0.00 0.00 0.00 179.97 184.59 1kds n ALA 310 N -2.38 7.29 -2.39 0.08 0.00 -1.26 -1.27 120.51 120.59 1kds n ALA 310 Ca 0.17 -3.68 -0.16 0.00 0.00 0.00 0.00 53.44 49.76 1kds n ALA 310 Cb 0.36 -3.24 -0.11 0.00 0.00 0.00 0.00 19.45 16.47 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 1.78 1.93 -0.44 0.00 0.01 -1.17 -1.13 113.70 114.69 1kds s SER 311 Ca 0.65 -0.91 -0.12 0.00 1.31 0.00 0.00 55.95 56.88 1kds s SER 311 Cb 0.18 -0.05 0.07 0.00 0.21 0.00 0.00 66.02 66.44 1kds s SER 311 CO -0.07 -0.23 0.32 0.86 0.41 0.00 0.00 173.24 174.53 1kds s TRP 312 N -2.69 3.29 -0.18 2.43 -0.11 0.47 -4.07 118.94 118.08 1kds s TRP 312 Ca 0.13 -1.25 -0.08 0.00 1.22 0.00 0.00 56.10 56.12 1kds s TRP 312 Cb -0.02 -3.04 -0.04 0.00 -1.50 0.00 0.00 33.47 28.87 1kds s TRP 312 CO 0.02 -0.82 0.08 0.08 -4.62 0.00 0.00 176.95 171.69 1kds s VAL 313 N 1.52 4.93 0.36 5.86 1.01 -0.20 -2.01 120.40 131.87 1kds s VAL 313 Ca 0.03 0.02 -0.11 0.00 0.00 0.00 0.00 61.98 61.92 1kds s VAL 313 Cb -0.23 -3.22 0.03 0.00 0.00 0.00 0.00 36.38 32.95 1kds s VAL 313 CO 0.04 0.46 0.65 -1.38 0.00 0.00 0.00 175.10 174.87 1kds s HIS 314 N 0.31 0.47 -0.29 5.22 -3.43 -0.41 -0.96 115.29 116.21 1kds s HIS 314 Ca 0.04 -0.95 -0.16 0.00 -0.80 0.00 0.00 55.06 53.19 1kds s HIS 314 Cb -0.12 0.45 0.15 0.00 -1.43 0.00 0.00 32.58 31.62 1kds s HIS 314 CO -0.00 -1.36 0.98 0.21 -2.00 0.00 0.00 174.74 172.57 1kds s LYS 315 N -2.78 0.37 0.24 -0.38 2.47 -0.66 -2.47 119.74 116.52 1kds s LYS 315 Ca 0.21 0.64 -0.02 0.00 -1.56 0.00 0.00 55.97 55.24 1kds s LYS 315 Cb -0.03 0.08 -0.05 0.00 -1.46 0.00 0.00 37.83 36.37 1kds s LYS 315 CO 0.14 -0.08 0.45 0.95 0.16 0.00 0.00 175.35 176.98 1kds s THR 316 N 1.31 5.13 -0.02 3.43 -4.23 -1.26 -2.37 115.64 117.63 1kds s THR 316 Ca -0.09 -0.20 -0.10 0.00 -1.18 0.00 0.00 61.69 60.13 1kds s THR 316 Cb -0.04 -3.73 0.01 0.00 1.34 0.00 0.00 72.50 70.08 1kds s THR 316 CO -0.15 -0.23 0.21 -0.83 -0.54 0.00 0.00 174.62 173.08 1kds s GLY 317 N -3.16 -0.06 -0.12 3.99 0.00 -0.72 -3.85 107.32 103.41 1kds s GLY 317 Ca 0.41 0.16 -0.29 0.00 0.00 0.00 0.00 44.72 44.99 1kds s GLY 317 CO 0.29 0.01 0.74 0.00 0.00 0.00 0.00 173.10 174.14 1kds s ALA 318 N -1.08 -1.80 0.30 3.20 0.00 -1.26 -0.61 121.76 120.51 1kds s ALA 318 Ca -0.12 1.54 0.04 0.00 0.00 0.00 0.00 51.96 53.42 1kds s ALA 318 Cb -0.06 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 1kds s ALA 318 CO 0.02 -0.35 0.13 0.25 0.00 0.00 0.00 175.76 175.81 1kds n THR 319 N 1.36 0.00 -0.33 0.00 -2.24 -0.61 -4.21 114.28 108.25 1kds n THR 319 Ca -0.17 -1.81 0.09 0.00 -2.27 0.00 0.00 64.05 59.89 1kds n THR 319 Cb 0.57 0.69 0.25 0.00 -2.10 0.00 0.00 70.33 69.74 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 1.28 1.58 -0.04 3.38 0.00 -1.97 -3.16 103.07 104.14 1kds h GLY 320 Ca -0.23 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.76 1kds h GLY 320 CO 0.36 0.03 -0.02 0.61 0.00 0.00 0.00 176.54 177.52 1kds n GLY 321 N -1.33 3.81 3.01 4.60 0.00 -1.26 -4.54 105.19 109.48 1kds n GLY 321 Ca 0.19 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.99 0.52 -0.07 1.61 0.40 -1.20 -1.29 117.98 115.98 1kds s PHE 322 Ca 0.18 -0.37 -0.01 0.00 -0.60 0.00 0.00 56.93 56.13 1kds s PHE 322 Cb 0.16 -0.32 0.03 0.00 0.51 0.00 0.00 43.02 43.39 1kds s PHE 322 CO 0.02 -0.07 -0.02 0.20 0.70 0.00 0.00 175.22 176.05 1kds s GLY 323 N -1.10 0.48 0.24 4.36 0.00 -0.74 -1.58 107.32 108.99 1kds s GLY 323 Ca -0.07 -0.13 0.06 0.00 0.00 0.00 0.00 44.72 44.58 1kds s GLY 323 CO 0.00 0.90 -0.07 -1.35 0.00 0.00 0.00 173.10 172.58 1kds s SER 324 N 1.62 2.45 -0.21 1.64 1.04 0.22 -1.96 113.70 118.50 1kds s SER 324 Ca -0.00 -1.15 -0.22 0.00 0.48 0.00 0.00 55.95 55.06 1kds s SER 324 Cb -0.13 -0.11 0.06 0.00 0.10 0.00 0.00 66.02 65.94 1kds s SER 324 CO -0.04 -0.34 0.62 -0.47 0.98 0.00 0.00 173.24 173.99 1kds s TYR 325 N -3.12 -0.67 -0.02 5.02 5.04 -0.01 -1.75 117.35 121.85 1kds s TYR 325 Ca 0.27 1.58 0.01 0.00 -2.44 0.00 0.00 57.07 56.49 1kds s TYR 325 Cb 0.03 0.25 0.01 0.00 0.35 0.00 0.00 41.96 42.60 1kds s TYR 325 CO 0.09 -0.36 -0.02 0.08 -1.34 0.00 0.00 175.55 174.01 1kds s VAL 326 N 0.14 0.25 -0.17 3.14 1.01 -1.00 -0.70 120.40 123.07 1kds s VAL 326 Ca -0.01 -0.03 -0.16 0.00 0.00 0.00 0.00 61.98 61.78 1kds s VAL 326 Cb -0.04 -0.28 0.04 0.00 0.00 0.00 0.00 36.38 36.10 1kds s VAL 326 CO 0.02 0.12 0.45 0.00 0.00 0.00 0.00 175.10 175.69 1kds s ALA 327 N 0.55 -1.11 0.09 5.51 0.00 -0.99 -1.65 121.76 124.16 1kds s ALA 327 Ca -0.06 1.26 -0.18 0.00 0.00 0.00 0.00 51.96 52.99 1kds s ALA 327 Cb -0.09 -0.73 0.04 0.00 0.00 0.00 0.00 23.12 22.35 1kds s ALA 327 CO -0.01 -0.21 0.43 -0.59 0.00 0.00 0.00 175.76 175.38 1kds s PHE 328 N 0.21 -0.26 -0.28 0.00 -0.12 -0.13 -0.72 117.98 116.68 1kds s PHE 328 Ca -0.00 0.08 0.02 0.00 -0.05 0.00 0.00 56.93 56.97 1kds s PHE 328 Cb -0.03 0.27 0.08 0.00 -0.63 0.00 0.00 43.02 42.71 1kds s PHE 328 CO 0.01 -0.66 -0.00 0.42 -0.05 0.00 0.00 175.22 174.93 1kds s ILE 329 N -3.26 1.69 0.16 -4.49 1.01 0.59 -1.03 121.20 115.87 1kds s ILE 329 Ca -0.00 -1.61 -0.19 0.00 0.00 0.00 0.00 60.65 58.85 1kds s ILE 329 Cb 0.01 -2.07 0.08 0.00 0.01 0.00 0.00 42.46 40.48 1kds s ILE 329 CO -0.08 -0.33 1.66 -0.65 0.00 0.00 0.00 174.94 175.53 1kds h PRO 330 N 7.86 -0.07 -0.27 2.79 0.11 -1.70 -1.95 132.00 138.77 1kds h PRO 330 Ca -0.13 0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.06 1kds h PRO 330 Cb 1.04 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1kds h PRO 330 CO 0.46 -0.05 0.27 1.49 -0.21 0.00 0.00 178.00 179.95 1kds h GLU 331 N -0.08 0.00 -0.02 1.05 4.81 -1.49 -1.74 114.58 117.11 1kds h GLU 331 Ca 0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1kds h GLU 331 Cb 0.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1kds h GLU 331 CO -0.41 0.00 -0.19 1.63 -0.73 0.00 0.00 179.01 179.32 1kds n LYS 332 N -3.92 1.61 -3.87 1.92 4.76 -0.82 -4.96 118.16 112.87 1kds n LYS 332 Ca 0.04 -1.27 -0.30 0.00 -2.87 0.00 0.00 58.31 53.91 1kds n LYS 332 Cb 0.41 -1.35 0.03 0.00 -1.84 0.00 0.00 35.03 32.28 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 0.51 -5.69 -5.14 1.97 1.02 -0.66 -4.54 120.64 108.12 1kds n GLU 333 Ca 0.09 0.62 -0.30 0.00 -0.02 0.00 0.00 57.16 57.55 1kds n GLU 333 Cb 0.43 -5.52 -0.16 0.00 -0.02 0.00 0.00 31.44 26.17 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 -7.27 2.03 0.19 -4.62 2.96 -1.11 -2.25 118.68 108.60 1kds s LEU 334 Ca 0.66 -0.46 -0.20 0.00 -0.22 0.00 0.00 54.13 53.91 1kds s LEU 334 Cb -0.33 -1.25 0.04 0.00 0.50 0.00 0.00 46.19 45.16 1kds s LEU 334 CO 0.81 0.23 0.57 -0.83 -1.32 0.00 0.00 176.35 175.81 1kds s GLY 335 N -0.16 -0.31 -0.04 7.98 0.00 -0.59 -0.30 107.32 113.91 1kds s GLY 335 Ca -0.02 0.06 -0.08 0.00 0.00 0.00 0.00 44.72 44.68 1kds s GLY 335 CO 0.03 -0.08 0.18 -1.50 0.00 0.00 0.00 173.10 171.73 1kds s ILE 336 N -3.83 0.04 -0.08 0.90 2.07 0.11 0.35 121.20 120.77 1kds s ILE 336 Ca 0.06 -0.34 0.01 0.00 -1.41 0.00 0.00 60.65 58.97 1kds s ILE 336 Cb -0.01 -0.38 0.02 0.00 0.13 0.00 0.00 42.46 42.21 1kds s ILE 336 CO -0.06 -0.19 -0.10 -0.69 -1.91 0.00 0.00 174.94 171.99 1kds s VAL 337 N -0.66 1.03 -0.17 4.00 1.01 0.43 -2.34 120.40 123.71 1kds s VAL 337 Ca -0.08 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1kds s VAL 337 Cb -0.04 -0.98 0.03 0.00 0.00 0.00 0.00 36.38 35.39 1kds s VAL 337 CO 0.01 0.34 -0.11 -0.04 0.00 0.00 0.00 175.10 175.31 1kds s MET 338 N 0.98 2.03 -0.15 2.72 -1.94 0.12 -1.46 119.30 121.59 1kds s MET 338 Ca -0.09 -0.64 0.02 0.00 -1.71 0.00 0.00 55.69 53.26 1kds s MET 338 Cb -0.15 -2.18 0.02 0.00 2.01 0.00 0.00 34.83 34.53 1kds s MET 338 CO 0.00 -0.34 -0.19 -0.51 -0.01 0.00 0.00 175.02 173.97 1kds s LEU 339 N 1.49 1.99 0.04 -0.03 1.43 -0.33 -0.82 118.68 122.45 1kds s LEU 339 Ca 0.02 -0.57 0.04 0.00 -1.03 0.00 0.00 54.13 52.59 1kds s LEU 339 Cb -0.14 -1.36 -0.02 0.00 0.03 0.00 0.00 46.19 44.69 1kds s LEU 339 CO -0.09 0.02 -0.12 0.00 0.23 0.00 0.00 176.35 176.39 1kds s ALA 340 N 1.10 0.97 -0.69 4.21 0.00 -0.83 -0.76 121.76 125.75 1kds s ALA 340 Ca -0.01 -0.81 -0.03 0.00 0.00 0.00 0.00 51.96 51.12 1kds s ALA 340 Cb -0.14 -0.10 0.26 0.00 0.00 0.00 0.00 23.12 23.14 1kds s ALA 340 CO -0.07 0.14 2.27 0.27 0.00 0.00 0.00 175.76 178.38 1kds n ASN 341 N 1.72 7.17 -3.64 0.00 6.94 -1.04 -1.79 115.26 124.61 1kds n ASN 341 Ca -0.20 -3.61 -0.08 0.00 -0.02 0.00 0.00 54.58 50.68 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 -3.22 0.72 -0.62 -3.83 2.20 -0.41 -2.27 119.74 112.31 1kds s LYS 342 Ca 0.54 1.20 -0.24 0.00 -0.36 0.00 0.00 55.97 57.11 1kds s LYS 342 Cb 0.42 0.17 0.05 0.00 -1.51 0.00 0.00 37.83 36.96 1kds s LYS 342 CO -0.32 -0.14 1.00 1.21 -0.36 0.00 0.00 175.35 176.74 1kds s ASN 343 N 1.48 6.24 0.29 1.43 2.47 -1.26 -2.63 114.94 122.96 1kds s ASN 343 Ca -0.09 -0.65 0.09 0.00 0.42 0.00 0.00 52.86 52.64 1kds s ASN 343 Cb -0.05 -2.45 -0.04 0.00 -1.45 0.00 0.00 41.25 37.26 1kds s ASN 343 CO -0.17 -1.41 0.01 -0.72 -3.72 0.00 0.00 177.10 171.08 1kds s TYR 344 N 4.25 2.66 0.05 0.43 1.13 -1.26 -4.96 117.35 119.64 1kds s TYR 344 Ca 0.27 -0.28 -0.38 0.00 -1.41 0.00 0.00 57.07 55.28 1kds s TYR 344 Cb -0.14 -1.28 -0.19 0.00 -1.10 0.00 0.00 41.96 39.25 1kds s TYR 344 CO 0.15 0.57 1.05 -2.30 -2.51 0.00 0.00 175.55 172.51 1kds n PRO 345 N -0.92 0.23 -0.05 -3.49 -0.02 -1.26 -4.90 135.00 124.58 1kds n PRO 345 Ca -0.06 0.08 -0.08 0.00 -2.02 0.00 0.00 63.50 61.43 1kds n PRO 345 Cb 0.60 -1.54 -0.02 0.00 -0.02 0.00 0.00 33.50 32.52 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 3.00 -0.07 -0.93 2.55 2.35 -1.97 -2.53 115.58 117.98 1kds h ASN 346 Ca -0.47 0.05 0.22 0.00 -0.55 0.00 0.00 56.30 55.55 1kds h ASN 346 Cb 1.41 0.08 -0.07 0.00 0.05 0.00 0.00 38.32 39.80 1kds h ASN 346 CO 0.66 -0.01 0.62 -0.65 -1.65 0.00 0.00 177.43 176.40 1kds h PRO 347 N 0.08 0.33 -0.49 0.81 0.11 -1.82 0.16 132.00 131.19 1kds h PRO 347 Ca 0.11 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.10 1kds h PRO 347 Cb 0.13 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.15 1kds h PRO 347 CO -0.17 0.22 -0.08 0.00 -0.21 0.00 0.00 178.00 177.76 1kds h ALA 348 N 1.60 0.94 0.13 -0.75 0.00 -1.81 -0.80 119.26 118.56 1kds h ALA 348 Ca 0.48 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1kds h ALA 348 Cb 1.31 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1kds h ALA 348 CO -0.17 0.62 -0.06 0.00 0.00 0.00 0.00 179.25 179.64 1kds h ARG 349 N 0.79 -0.16 -0.69 0.00 3.08 -0.65 -2.45 114.38 114.30 1kds h ARG 349 Ca 0.14 0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.14 1kds h ARG 349 Cb 0.59 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.64 1kds h ARG 349 CO 0.04 0.16 0.22 0.28 -1.07 0.00 0.00 179.97 179.59 1kds h VAL 350 N -0.49 1.25 0.15 2.04 2.07 -1.34 -1.15 116.25 118.78 1kds h VAL 350 Ca -0.02 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1kds h VAL 350 Cb 0.39 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1kds h VAL 350 CO 0.03 0.33 -0.13 -0.78 0.02 0.00 0.00 177.57 177.04 1kds h ASP 351 N 1.02 -0.34 -0.46 0.57 -0.00 -1.14 0.12 116.42 116.19 1kds h ASP 351 Ca 0.22 0.03 -0.02 0.00 -0.00 0.00 0.00 57.03 57.27 1kds h ASP 351 Cb 0.28 0.11 -0.02 0.00 -0.00 0.00 0.00 39.33 39.70 1kds h ASP 351 CO -0.01 -0.20 0.22 0.00 -0.00 0.00 0.00 179.24 179.25 1kds h ALA 352 N 0.54 0.59 -0.80 -0.78 0.00 -1.30 -1.22 119.26 116.28 1kds h ALA 352 Ca -0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1kds h ALA 352 Cb 0.27 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1kds h ALA 352 CO -0.02 0.15 0.45 0.00 0.00 0.00 0.00 179.25 179.83 1kds h ALA 353 N 1.06 1.02 -0.58 0.00 0.00 -1.01 -1.61 119.26 118.14 1kds h ALA 353 Ca 0.16 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1kds h ALA 353 Cb 0.12 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1kds h ALA 353 CO -0.02 0.52 -0.02 2.35 0.00 0.00 0.00 179.25 182.08 1kds h TRP 354 N 1.10 1.13 -0.33 0.00 2.91 -0.50 -1.26 115.95 119.00 1kds h TRP 354 Ca 0.28 -0.20 0.04 0.00 1.13 0.00 0.00 58.89 60.14 1kds h TRP 354 Cb 0.01 -0.29 -0.04 0.00 -0.51 0.00 0.00 29.16 28.33 1kds h TRP 354 CO -0.00 1.00 0.11 1.96 -1.03 0.00 0.00 178.44 180.49 1kds h GLN 355 N 0.94 0.25 0.16 2.65 1.08 -0.65 0.36 115.11 119.89 1kds h GLN 355 Ca 0.16 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.34 1kds h GLN 355 Cb 0.57 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 1kds h GLN 355 CO 0.03 0.16 -0.08 0.82 -0.95 0.00 0.00 178.83 178.82 1kds h ILE 356 N 0.25 0.98 -0.62 2.54 2.04 -1.17 -2.72 117.51 118.82 1kds h ILE 356 Ca 0.15 -0.76 -0.10 0.00 1.00 0.00 0.00 64.86 65.15 1kds h ILE 356 Cb 0.12 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1kds h ILE 356 CO -0.15 0.17 0.00 -0.07 0.00 0.00 0.00 178.15 178.10 1kds h LEU 357 N -0.59 1.07 -1.28 1.44 4.07 -1.20 -2.77 115.31 116.05 1kds h LEU 357 Ca -0.02 -0.31 -0.04 0.00 0.08 0.00 0.00 57.88 57.59 1kds h LEU 357 Cb 0.45 -0.29 -0.02 0.00 1.08 0.00 0.00 40.66 41.88 1kds h LEU 357 CO 0.04 1.11 0.01 -1.13 -1.08 0.00 0.00 178.44 177.39 1kds h ASN 358 N 0.99 0.46 0.87 -0.43 -1.24 -1.00 -2.25 115.58 112.98 1kds h ASN 358 Ca 0.17 -0.08 -0.06 0.00 0.71 0.00 0.00 56.30 57.05 1kds h ASN 358 Cb 0.56 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.49 1kds h ASN 358 CO 0.03 0.52 -0.27 0.00 -1.29 0.00 0.00 177.43 176.42 1kds h ALA 359 N 1.54 1.03 -0.01 1.57 0.00 -1.22 -3.10 119.26 119.08 1kds h ALA 359 Ca 0.11 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1kds h ALA 359 Cb 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1kds h ALA 359 CO 0.01 0.34 -0.51 1.28 0.00 0.00 0.00 179.25 180.37 1kds n LEU 360 N -3.45 1.12 0.00 0.00 4.77 -0.88 -5.11 117.00 113.44 1kds n LEU 360 Ca -0.00 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 1kds n LEU 360 Cb 0.45 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1kds n LEU 360 CO 0.34 0.23 0.00 0.00 -1.33 0.00 0.00 177.39 176.63