#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rye s THR 2 N 0.00 0.00 0.07 0.00 2.01 -1.26 -5.13 115.64 111.33 1rye s THR 2 Ca 0.00 -1.19 -0.24 0.00 0.31 0.00 0.00 61.69 60.57 1rye s THR 2 Cb 0.00 -2.25 -0.13 0.00 0.01 0.00 0.00 72.50 70.13 1rye s THR 2 CO 0.00 0.00 0.56 0.18 -0.69 0.00 0.00 174.62 174.67 1rye n LEU 3 N -0.45 -0.44 -4.05 4.42 4.77 -1.26 -4.87 117.00 115.12 1rye n LEU 3 Ca -0.03 0.81 -0.20 0.00 -0.03 0.00 0.00 56.01 56.56 1rye n LEU 3 Cb 0.60 -0.66 0.17 0.00 -2.33 0.00 0.00 43.42 41.20 1rye n LEU 3 CO 0.20 -1.73 0.09 -2.65 -1.33 0.00 0.00 177.39 171.97 1rye n PRO 4 N 0.89 -2.67 0.00 3.23 -0.02 -1.26 -4.52 135.00 130.64 1rye n PRO 4 Ca 0.13 -0.79 0.00 0.00 -2.02 0.00 0.00 63.50 60.82 1rye n PRO 4 Cb 0.12 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 1rye n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rye n ALA 5 N -4.62 -0.34 0.27 3.55 0.00 -1.26 -2.18 120.51 115.94 1rye n ALA 5 Ca 0.07 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.66 1rye n ALA 5 Cb 0.38 0.00 0.77 0.00 0.00 0.00 0.00 19.45 20.60 1rye n ALA 5 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1rye h GLY 6 N 0.00 0.00 0.66 0.00 0.00 -1.92 -3.10 103.07 98.71 1rye h GLY 6 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1rye h GLY 6 CO 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 176.54 176.41 1rye h ALA 7 N 1.92 -0.36 0.00 3.60 0.00 -1.90 -2.87 119.26 119.65 1rye h ALA 7 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1rye h ALA 7 Cb 0.38 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1rye h ALA 7 CO 0.01 -0.53 0.03 1.03 0.00 0.00 0.00 179.25 179.79 1rye h SER 8 N -0.71 0.00 -3.50 0.00 0.87 -1.36 -3.36 113.55 105.50 1rye h SER 8 Ca -0.04 0.00 -0.72 0.00 -1.23 0.00 0.00 61.79 59.80 1rye h SER 8 Cb 0.48 0.00 -0.31 0.00 -0.44 0.00 0.00 62.40 62.14 1rye h SER 8 CO 0.06 0.00 -0.37 0.00 -0.53 0.00 0.00 176.83 175.99 1rye s GLN 9 N -3.91 2.52 -0.23 2.24 1.03 -1.08 -5.01 119.66 115.22 1rye s GLN 9 Ca -0.04 -1.95 -0.10 0.00 0.04 0.00 0.00 55.36 53.31 1rye s GLN 9 Cb 0.10 -3.89 0.09 0.00 0.03 0.00 0.00 33.01 29.33 1rye s GLN 9 CO 0.32 -1.18 0.53 0.08 -2.54 0.00 0.00 175.29 172.49 1rye s VAL 10 N 1.01 -0.40 -0.04 3.63 1.01 -1.26 -4.88 120.40 119.47 1rye s VAL 10 Ca 0.09 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 1rye s VAL 10 Cb -0.23 -0.80 -0.08 0.00 0.00 0.00 0.00 36.38 35.26 1rye s VAL 10 CO -0.02 0.03 2.04 -2.65 0.00 0.00 0.00 175.10 174.50 1rye n PRO 11 N 4.84 2.60 0.00 2.72 -0.02 -1.26 -4.76 135.00 139.13 1rye n PRO 11 Ca -0.16 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1rye n PRO 11 Cb 0.53 -3.05 0.00 0.00 -0.02 0.00 0.00 33.50 30.96 1rye n PRO 11 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1rye n THR 12 N 6.12 0.00 -4.26 3.45 -2.24 -1.26 -4.54 114.28 111.54 1rye n THR 12 Ca 0.23 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.83 1rye n THR 12 Cb 0.41 -0.26 -0.13 0.00 -2.10 0.00 0.00 70.33 68.25 1rye n THR 12 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1rye s THR 13 N -1.37 0.88 0.38 4.28 -4.23 -1.26 -5.12 115.64 109.21 1rye s THR 13 Ca 0.00 -0.89 -0.23 0.00 -1.18 0.00 0.00 61.69 59.39 1rye s THR 13 Cb 0.00 -0.82 -0.14 0.00 1.34 0.00 0.00 72.50 72.88 1rye s THR 13 CO 0.00 -0.06 0.37 -0.81 -0.54 0.00 0.00 174.62 173.58 1rye n PRO 14 N 1.98 0.29 -1.08 3.99 -0.04 -1.26 -4.95 135.00 133.93 1rye n PRO 14 Ca -0.18 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1rye n PRO 14 Cb 0.55 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 1rye n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rye n ALA 15 N -0.79 0.00 -2.64 0.55 0.00 -1.26 -5.03 120.51 111.33 1rye n ALA 15 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.19 1rye n ALA 15 Cb 0.38 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.76 1rye n ALA 15 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1rye s GLY 16 N -1.42 2.35 -0.02 0.00 0.00 -1.26 -5.09 107.32 101.89 1rye s GLY 16 Ca 0.00 -0.36 0.04 0.00 0.00 0.00 0.00 44.72 44.40 1rye s GLY 16 CO 0.00 0.10 -0.14 0.50 0.00 0.00 0.00 173.10 173.55 1rye s ARG 17 N -0.72 1.26 0.95 2.90 1.81 -1.26 -5.09 118.95 118.80 1rye s ARG 17 Ca 0.20 -0.52 -0.11 0.00 -1.72 0.00 0.00 55.73 53.59 1rye s ARG 17 Cb -0.15 -1.19 0.16 0.00 -0.45 0.00 0.00 34.95 33.32 1rye s ARG 17 CO 0.09 0.28 1.10 -1.25 -0.68 0.00 0.00 175.30 174.84 1rye s PRO 18 N -0.23 0.80 0.33 3.54 0.04 -1.26 -4.94 135.00 133.29 1rye s PRO 18 Ca 0.03 1.14 -0.27 0.00 0.04 0.00 0.00 61.00 61.94 1rye s PRO 18 Cb -0.07 -1.73 -0.13 0.00 0.04 0.00 0.00 34.50 32.61 1rye s PRO 18 CO -0.00 -2.65 1.06 -1.33 0.04 0.00 0.00 177.00 174.12 1rye n MET 19 N -4.20 1.51 -0.98 4.56 2.81 -1.26 -4.97 117.12 114.59 1rye n MET 19 Ca 0.08 0.53 -0.29 0.00 -1.81 0.00 0.00 57.70 56.21 1rye n MET 19 Cb 0.54 -1.99 0.25 0.00 -0.71 0.00 0.00 33.22 31.30 1rye n MET 19 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 1rye n PRO 20 N 0.54 -3.20 -1.66 0.03 -0.02 -1.26 -5.04 135.00 124.39 1rye n PRO 20 Ca 0.08 -1.70 -0.29 0.00 -2.02 0.00 0.00 63.50 59.58 1rye n PRO 20 Cb 0.35 -1.62 0.13 0.00 -0.02 0.00 0.00 33.50 32.34 1rye n PRO 20 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1rye s TYR 21 N -2.90 2.45 0.69 6.00 1.51 -1.26 -5.08 117.35 118.76 1rye s TYR 21 Ca 0.69 0.75 0.00 0.00 -1.01 0.00 0.00 57.07 57.51 1rye s TYR 21 Cb -0.07 -3.50 0.11 0.00 -0.11 0.00 0.00 41.96 38.39 1rye s TYR 21 CO 0.53 -2.30 0.95 0.00 -1.11 0.00 0.00 175.55 173.63 1rye s ALA 22 N -3.41 3.79 0.00 3.71 0.00 -1.26 -5.32 121.76 119.27 1rye s ALA 22 Ca 0.65 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.91 1rye s ALA 22 Cb -0.12 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.01 1rye s ALA 22 CO 0.52 -1.32 0.00 1.51 0.00 0.00 0.00 175.76 176.47 1rye n ILE 23 N -2.73 0.00 0.00 0.00 0.00 -1.26 -5.35 119.36 110.02 1rye n ILE 23 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.89 1rye n ILE 23 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 39.64 40.25 1rye n ILE 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1rye n ARG 30 N 0.00 0.00 -1.64 9.51 5.12 -1.19 -5.30 116.66 123.17 1rye n ARG 30 Ca 0.00 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.60 1rye n ARG 30 Cb 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1rye n ARG 30 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 1rye n ARG 31 N 0.00 2.54 -3.16 5.56 1.85 -0.74 -4.76 116.66 117.95 1rye n ARG 31 Ca 0.00 -2.86 0.04 0.00 -1.00 0.00 0.00 57.85 54.02 1rye n ARG 31 Cb 0.00 -2.18 -0.00 0.00 -1.05 0.00 0.00 32.46 29.23 1rye n ARG 31 CO 0.00 0.00 0.00 0.12 -0.01 0.00 0.00 177.63 177.74 1rye s PHE 32 N -2.84 -1.81 0.43 2.89 5.36 -0.94 -4.97 117.98 116.09 1rye s PHE 32 Ca 0.55 1.16 -0.23 0.00 -0.96 0.00 0.00 56.93 57.45 1rye s PHE 32 Cb 0.41 0.34 -0.09 0.00 -0.34 0.00 0.00 43.02 43.34 1rye s PHE 32 CO -0.29 -1.06 1.07 0.20 -1.46 0.00 0.00 175.22 173.68 1rye s GLY 33 N 2.83 2.70 0.02 13.12 0.00 -1.20 -1.34 107.32 123.45 1rye s GLY 33 Ca 0.12 0.72 0.07 0.00 0.00 0.00 0.00 44.72 45.62 1rye s GLY 33 CO -0.25 1.13 -0.20 -0.19 0.00 0.00 0.00 173.10 173.59 1rye s TYR 34 N -1.70 1.73 -0.49 1.90 2.02 -0.34 -1.87 117.35 118.59 1rye s TYR 34 Ca 0.61 -0.35 0.02 0.00 -0.37 0.00 0.00 57.07 56.97 1rye s TYR 34 Cb -0.22 -1.06 0.13 0.00 -0.40 0.00 0.00 41.96 40.41 1rye s TYR 34 CO 0.27 0.04 0.25 0.00 -1.57 0.00 0.00 175.55 174.54 1rye s ALA 35 N -0.67 3.26 -0.22 3.71 0.00 -0.04 -1.04 121.76 126.75 1rye s ALA 35 Ca 0.07 -3.03 -0.29 0.00 0.00 0.00 0.00 51.96 48.71 1rye s ALA 35 Cb -0.08 -2.25 -0.01 0.00 0.00 0.00 0.00 23.12 20.77 1rye s ALA 35 CO 0.01 -1.94 1.32 0.42 0.00 0.00 0.00 175.76 175.57 1rye s ILE 36 N 0.18 4.15 -0.37 0.00 1.09 -1.05 -1.27 121.20 123.92 1rye s ILE 36 Ca 0.15 1.35 -0.11 0.00 -1.10 0.00 0.00 60.65 60.93 1rye s ILE 36 Cb -0.23 -4.01 0.03 0.00 -1.06 0.00 0.00 42.46 37.18 1rye s ILE 36 CO -0.03 -0.28 0.21 -0.69 -0.10 0.00 0.00 174.94 174.05 1rye s VAL 37 N 4.02 4.60 0.00 2.92 1.01 -0.03 -1.07 120.40 131.84 1rye s VAL 37 Ca 0.57 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1rye s VAL 37 Cb -0.20 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1rye s VAL 37 CO 0.20 -0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.68 1rye n GLY 38 N 5.00 1.23 2.85 4.51 0.00 -0.41 -0.74 105.19 117.63 1rye n GLY 38 Ca -0.12 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 1rye n GLY 38 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rye n LEU 39 N 0.00 6.78 0.00 0.99 4.77 -1.26 -4.72 117.00 123.56 1rye n LEU 39 Ca 0.00 -5.30 -0.04 0.00 -0.03 0.00 0.00 56.01 50.65 1rye n LEU 39 Cb 0.00 -1.22 0.01 0.00 -2.33 0.00 0.00 43.42 39.89 1rye n LEU 39 CO 0.00 1.85 0.07 0.61 -1.33 0.00 0.00 177.39 178.60 1rye n GLY 40 N 0.72 1.81 0.24 -0.72 0.00 -1.26 -4.83 105.19 101.16 1rye n GLY 40 Ca 0.35 -2.13 -0.06 0.00 0.00 0.00 0.00 46.02 44.18 1rye n GLY 40 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1rye h LYS 41 N 0.00 -0.13 0.34 1.61 3.64 -1.96 0.20 116.57 120.27 1rye h LYS 41 Ca -0.05 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1rye h LYS 41 Cb 0.23 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1rye h LYS 41 CO 0.07 -0.09 -0.16 -0.92 -2.27 0.00 0.00 179.45 176.08 1rye h TYR 42 N -0.13 -0.42 -0.87 1.91 3.20 -1.96 0.48 116.97 119.18 1rye h TYR 42 Ca 0.18 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.17 1rye h TYR 42 Cb 0.42 0.14 -0.09 0.00 1.54 0.00 0.00 36.73 38.74 1rye h TYR 42 CO -0.42 -0.12 0.48 0.00 -1.64 0.00 0.00 178.16 176.46 1rye h ALA 43 N -0.15 1.29 0.04 1.82 0.00 -1.80 0.25 119.26 120.72 1rye h ALA 43 Ca -0.05 0.06 -0.24 0.00 0.00 0.00 0.00 54.91 54.69 1rye h ALA 43 Cb 0.49 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1rye h ALA 43 CO 0.08 0.01 -1.03 -0.07 0.00 0.00 0.00 179.25 178.23 1rye h LEU 44 N 0.72 0.47 0.00 0.00 4.07 -0.54 -0.03 115.31 120.00 1rye h LEU 44 Ca 0.45 -0.42 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1rye h LEU 44 Cb 0.56 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.15 1rye h LEU 44 CO -0.32 1.25 -1.47 0.59 -1.08 0.00 0.00 178.44 177.41 1rye n ASN 45 N -3.67 0.47 0.02 -0.43 3.02 0.15 -4.52 115.26 110.30 1rye n ASN 45 Ca -0.07 -0.39 0.00 0.00 -0.03 0.00 0.00 54.58 54.09 1rye n ASN 45 Cb 0.89 1.43 0.00 0.00 -0.61 0.00 0.00 39.78 41.49 1rye n ASN 45 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rye n GLN 46 N -1.94 0.00 0.16 3.52 1.13 0.87 -4.79 117.38 116.32 1rye n GLN 46 Ca -0.00 0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 55.00 1rye n GLN 46 Cb 0.46 -0.38 -0.03 0.00 0.11 0.00 0.00 30.24 30.41 1rye n GLN 46 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1rye h ILE 47 N 0.00 0.00 -0.34 5.09 1.08 -1.46 -1.39 117.51 120.48 1rye h ILE 47 Ca 0.00 -0.13 0.07 0.00 -0.39 0.00 0.00 64.86 64.41 1rye h ILE 47 Cb 0.56 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 34.23 1rye h ILE 47 CO 0.00 0.00 -0.20 -0.07 -0.69 0.00 0.00 178.15 177.19 1rye h LEU 48 N -0.55 -0.68 -1.93 1.44 4.07 -1.27 0.23 115.31 116.63 1rye h LEU 48 Ca -0.04 0.14 -0.02 0.00 0.08 0.00 0.00 57.88 58.05 1rye h LEU 48 Cb 0.32 0.35 -0.00 0.00 1.08 0.00 0.00 40.66 42.40 1rye h LEU 48 CO 0.07 -0.24 -0.07 -0.65 -1.08 0.00 0.00 178.44 176.47 1rye h PRO 49 N -0.16 0.00 0.00 1.13 0.11 -1.80 -2.20 132.00 129.09 1rye h PRO 49 Ca 0.17 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 1rye h PRO 49 Cb 0.42 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.53 1rye h PRO 49 CO -0.43 0.07 -0.01 0.78 -0.21 0.00 0.00 178.00 178.20 1rye h GLY 50 N 0.26 0.00 2.00 -0.55 0.00 0.62 -2.86 103.07 102.54 1rye h GLY 50 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1rye h GLY 50 CO 0.01 0.00 -0.06 0.74 0.00 0.00 0.00 176.54 177.23 1rye h PHE 51 N 0.00 0.00 -0.79 5.60 0.04 -0.97 -3.13 116.94 117.69 1rye h PHE 51 Ca -0.00 0.00 0.17 0.00 2.80 0.00 0.00 57.97 60.94 1rye h PHE 51 Cb 0.34 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 38.37 1rye h PHE 51 CO 0.00 0.06 0.26 0.00 -0.60 0.00 0.00 178.31 178.03 1rye h ALA 52 N 1.94 1.11 -0.11 2.45 0.00 -1.69 -1.56 119.26 121.41 1rye h ALA 52 Ca -0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1rye h ALA 52 Cb 0.30 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1rye h ALA 52 CO 0.01 -0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.36 1rye n GLY 53 N -1.34 -0.09 3.81 0.00 0.00 -1.18 -4.93 105.19 101.45 1rye n GLY 53 Ca 0.16 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 1rye n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rye n GLN 55 N -2.93 0.37 -0.09 0.00 6.02 -1.26 -4.82 117.38 114.67 1rye n GLN 55 Ca 0.08 0.10 -0.11 0.00 -0.01 0.00 0.00 57.00 57.06 1rye n GLN 55 Cb 0.53 -1.25 -0.11 0.00 1.02 0.00 0.00 30.24 30.44 1rye n GLN 55 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1rye n HIS 56 N -3.11 0.00 -2.30 1.08 8.25 -1.26 -3.14 115.22 114.73 1rye n HIS 56 Ca -0.28 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 56.85 1rye n HIS 56 Cb 0.77 -0.76 -0.01 0.00 1.12 0.00 0.00 29.99 31.10 1rye n HIS 56 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1rye s SER 57 N -5.41 6.13 0.05 0.41 0.01 -1.26 -1.79 113.70 111.84 1rye s SER 57 Ca -0.17 1.83 -0.13 0.00 1.31 0.00 0.00 55.95 58.79 1rye s SER 57 Cb 0.06 -2.54 0.02 0.00 0.21 0.00 0.00 66.02 63.76 1rye s SER 57 CO 0.55 -0.93 0.28 0.00 0.41 0.00 0.00 173.24 173.55 1rye s ARG 58 N -3.72 0.81 -0.80 12.44 1.70 -0.45 -4.84 118.95 124.09 1rye s ARG 58 Ca 0.64 -0.57 -0.22 0.00 -0.47 0.00 0.00 55.73 55.11 1rye s ARG 58 Cb -0.15 0.35 0.09 0.00 -0.57 0.00 0.00 34.95 34.66 1rye s ARG 58 CO 0.29 -0.26 1.10 0.42 -1.08 0.00 0.00 175.30 175.77 1rye s ILE 59 N -2.74 4.37 -0.13 4.99 1.01 -1.26 -1.20 121.20 126.24 1rye s ILE 59 Ca -0.04 -0.75 -0.19 0.00 0.00 0.00 0.00 60.65 59.67 1rye s ILE 59 Cb -0.00 -4.78 -0.25 0.00 0.01 0.00 0.00 42.46 37.44 1rye s ILE 59 CO -0.05 -1.56 0.53 -0.08 0.00 0.00 0.00 174.94 173.78 1rye h GLU 60 N 9.39 0.15 -4.44 2.79 4.57 -1.62 -3.46 114.58 121.96 1rye h GLU 60 Ca -0.08 -0.26 -0.19 0.00 -1.18 0.00 0.00 59.36 57.64 1rye h GLU 60 Cb 1.05 0.10 -0.15 0.00 -0.16 0.00 0.00 28.75 29.59 1rye h GLU 60 CO 1.19 1.13 -0.62 0.00 -1.18 0.00 0.00 179.01 179.53 1rye s ALA 61 N -2.41 0.90 0.03 2.92 0.00 -0.21 -4.58 121.76 118.41 1rye s ALA 61 Ca -0.21 -1.50 0.05 0.00 0.00 0.00 0.00 51.96 50.29 1rye s ALA 61 Cb 0.03 1.01 -0.02 0.00 0.00 0.00 0.00 23.12 24.14 1rye s ALA 61 CO 0.72 -0.53 -0.14 -0.51 0.00 0.00 0.00 175.76 175.31 1rye s LEU 62 N -3.07 2.15 -0.30 0.00 1.43 -0.73 -2.52 118.68 115.63 1rye s LEU 62 Ca 0.28 -0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 52.94 1rye s LEU 62 Cb 0.07 -0.59 0.10 0.00 0.03 0.00 0.00 46.19 45.80 1rye s LEU 62 CO 0.05 0.04 0.09 -0.69 0.23 0.00 0.00 176.35 176.07 1rye s VAL 63 N -0.79 0.84 0.06 -1.59 1.01 -0.23 -1.13 120.40 118.57 1rye s VAL 63 Ca 0.02 -1.33 0.05 0.00 0.00 0.00 0.00 61.98 60.71 1rye s VAL 63 Cb -0.07 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 1rye s VAL 63 CO 0.01 -0.64 -0.13 -0.55 0.00 0.00 0.00 175.10 173.79 1rye s SER 64 N 1.64 1.58 -0.34 3.32 0.15 -1.05 -1.29 113.70 117.71 1rye s SER 64 Ca 0.09 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.17 1rye s SER 64 Cb -0.17 -0.05 0.32 0.00 -1.71 0.00 0.00 66.02 64.40 1rye s SER 64 CO -0.24 -0.06 1.81 0.61 1.20 0.00 0.00 173.24 176.56 1rye n GLY 65 N 1.46 4.04 3.11 9.45 0.00 -1.26 -4.31 105.19 117.68 1rye n GLY 65 Ca -0.21 -1.04 -0.02 0.00 0.00 0.00 0.00 46.02 44.76 1rye n GLY 65 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rye s ASN 66 N -0.28 -1.04 0.25 1.61 3.84 -1.26 -5.04 114.94 113.01 1rye s ASN 66 Ca 0.36 -0.65 -0.04 0.00 0.21 0.00 0.00 52.86 52.74 1rye s ASN 66 Cb 0.29 1.72 0.50 0.00 -0.55 0.00 0.00 41.25 43.21 1rye s ASN 66 CO 0.02 -0.22 1.69 0.00 -2.79 0.00 0.00 177.10 175.80 1rye h ALA 67 N 7.31 1.04 0.11 1.71 0.00 -1.95 -0.67 119.26 126.81 1rye h ALA 67 Ca 0.03 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1rye h ALA 67 Cb 1.16 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 1rye h ALA 67 CO 0.14 -0.32 -0.09 0.93 0.00 0.00 0.00 179.25 179.91 1rye h GLU 68 N 0.32 -0.19 -0.85 0.00 3.07 -1.98 0.13 114.58 115.08 1rye h GLU 68 Ca 0.44 0.01 0.20 0.00 -0.50 0.00 0.00 59.36 59.50 1rye h GLU 68 Cb 0.74 0.04 -0.15 0.00 -0.84 0.00 0.00 28.75 28.54 1rye h GLU 68 CO -0.50 -0.12 -0.06 -0.22 -1.40 0.00 0.00 179.01 176.71 1rye h LYS 69 N -0.19 0.05 -0.25 2.33 3.64 -1.93 -1.33 116.57 118.89 1rye h LYS 69 Ca -0.01 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1rye h LYS 69 Cb 0.16 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1rye h LYS 69 CO -0.00 0.03 0.09 0.00 -2.27 0.00 0.00 179.45 177.30 1rye h ALA 70 N 1.82 0.32 -0.22 5.00 0.00 -0.94 -2.00 119.26 123.24 1rye h ALA 70 Ca 0.46 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.28 1rye h ALA 70 Cb 0.82 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1rye h ALA 70 CO -0.80 -0.08 -0.35 -0.22 0.00 0.00 0.00 179.25 177.80 1rye h LYS 71 N 0.24 -0.27 0.04 0.00 3.11 0.44 1.11 116.57 121.25 1rye h LYS 71 Ca 0.08 0.02 0.03 0.00 -2.81 0.00 0.00 60.65 57.97 1rye h LYS 71 Cb 0.19 0.06 -0.05 0.00 -1.00 0.00 0.00 32.23 31.44 1rye h LYS 71 CO -0.01 -0.18 -0.31 0.82 -2.81 0.00 0.00 179.45 176.96 1rye h ILE 72 N -0.28 0.32 -0.51 2.00 2.04 -1.54 -0.22 117.51 119.32 1rye h ILE 72 Ca 0.04 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.00 1rye h ILE 72 Cb 0.39 0.32 -0.09 0.00 -0.74 0.00 0.00 36.82 36.70 1rye h ILE 72 CO -0.35 0.00 -0.08 0.58 0.00 0.00 0.00 178.15 178.29 1rye h VAL 73 N -0.49 0.52 -0.33 1.67 2.07 -0.77 0.17 116.25 119.08 1rye h VAL 73 Ca 0.05 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.63 1rye h VAL 73 Cb 0.55 0.48 -0.07 0.00 -1.52 0.00 0.00 31.29 30.73 1rye h VAL 73 CO -0.23 0.01 -0.13 0.00 0.02 0.00 0.00 177.57 177.23 1rye h ALA 74 N 1.50 0.14 0.36 1.67 0.00 0.21 -2.04 119.26 121.10 1rye h ALA 74 Ca 0.25 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 1rye h ALA 74 Cb 0.39 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1rye h ALA 74 CO -0.50 -0.51 -0.26 0.00 0.00 0.00 0.00 179.25 177.98 1rye h ALA 75 N 1.21 -0.61 -0.92 0.00 0.00 0.39 0.55 119.26 119.88 1rye h ALA 75 Ca 0.17 -0.11 0.18 0.00 0.00 0.00 0.00 54.91 55.15 1rye h ALA 75 Cb 0.33 0.34 -0.17 0.00 0.00 0.00 0.00 17.79 18.29 1rye h ALA 75 CO -0.38 -0.86 -0.26 0.93 0.00 0.00 0.00 179.25 178.68 1rye h GLU 76 N -0.61 -0.01 -0.24 0.00 5.08 -0.05 0.12 114.58 118.87 1rye h GLU 76 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1rye h GLU 76 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1rye h GLU 76 CO 0.00 -0.01 0.00 0.66 -1.00 0.00 0.00 179.01 178.67 1rye n TYR 77 N -5.57 0.31 -2.80 4.33 4.01 -0.91 -4.93 117.16 111.59 1rye n TYR 77 Ca 0.13 -0.15 -0.10 0.00 -0.16 0.00 0.00 57.90 57.62 1rye n TYR 77 Cb 0.45 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.53 1rye n TYR 77 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1rye n GLY 78 N 1.22 0.02 3.81 2.72 0.00 0.41 -5.02 105.19 108.37 1rye n GLY 78 Ca 0.17 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1rye n GLY 78 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rye s VAL 79 N -3.19 5.25 -0.25 1.61 1.01 0.18 -5.02 120.40 120.00 1rye s VAL 79 Ca 0.03 0.12 -0.34 0.00 0.00 0.00 0.00 61.98 61.79 1rye s VAL 79 Cb -0.01 -3.29 -0.10 0.00 0.00 0.00 0.00 36.38 32.97 1rye s VAL 79 CO 0.39 0.59 2.09 -0.67 0.00 0.00 0.00 175.10 177.50 1rye n ASP 80 N 2.27 2.76 0.00 3.32 -0.08 -1.26 -4.50 116.55 119.06 1rye n ASP 80 Ca -0.19 0.55 0.00 0.00 -1.51 0.00 0.00 54.79 53.64 1rye n ASP 80 Cb 0.54 -1.35 0.00 0.00 2.34 0.00 0.00 41.12 42.65 1rye n ASP 80 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1rye n PRO 81 N 7.77 0.00 -0.15 -0.67 -0.04 -1.26 0.16 135.00 140.82 1rye n PRO 81 Ca 0.33 0.44 0.11 0.00 -0.04 0.00 0.00 63.50 64.34 1rye n PRO 81 Cb 0.29 -1.54 0.26 0.00 -0.04 0.00 0.00 33.50 32.47 1rye n PRO 81 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1rye n ARG 82 N -1.44 2.24 -2.02 0.54 1.74 -1.26 -4.18 116.66 112.29 1rye n ARG 82 Ca 0.00 -1.87 -0.24 0.00 -0.77 0.00 0.00 57.85 54.97 1rye n ARG 82 Cb 0.04 -1.47 0.02 0.00 -1.02 0.00 0.00 32.46 30.03 1rye n ARG 82 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1rye n LYS 83 N 1.10 3.60 -3.62 5.56 5.02 0.12 -4.91 118.16 125.03 1rye n LYS 83 Ca 0.18 -4.16 -0.39 0.00 -2.02 0.00 0.00 58.31 51.92 1rye n LYS 83 Cb 0.51 -2.27 -0.08 0.00 -0.02 0.00 0.00 35.03 33.17 1rye n LYS 83 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1rye s ILE 84 N -4.59 4.21 0.54 -0.18 1.01 -1.26 -1.78 121.20 119.15 1rye s ILE 84 Ca 0.51 -2.80 -0.07 0.00 0.00 0.00 0.00 60.65 58.30 1rye s ILE 84 Cb 0.41 -3.70 0.12 0.00 0.01 0.00 0.00 42.46 39.30 1rye s ILE 84 CO 0.04 -0.91 0.73 -1.22 0.00 0.00 0.00 174.94 173.58 1rye n TYR 85 N 3.66 -3.68 -4.13 3.97 4.02 -0.29 -4.94 117.16 115.77 1rye n TYR 85 Ca 0.09 -0.84 -0.11 0.00 -0.01 0.00 0.00 57.90 57.03 1rye n TYR 85 Cb 0.40 -0.56 -0.04 0.00 -0.02 0.00 0.00 39.34 39.12 1rye n TYR 85 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1rye n ASP 86 N -3.31 -0.42 0.21 7.72 5.68 -1.26 -2.53 116.55 122.63 1rye n ASP 86 Ca 0.10 -2.20 0.07 0.00 -0.50 0.00 0.00 54.79 52.27 1rye n ASP 86 Cb 0.35 0.97 0.42 0.00 -1.14 0.00 0.00 41.12 41.72 1rye n ASP 86 CO 0.00 0.00 0.00 1.88 -1.33 0.00 0.00 177.20 177.75 1rye h TYR 87 N 1.59 0.00 0.36 2.11 0.05 -1.93 -0.09 116.97 119.05 1rye h TYR 87 Ca -0.13 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.63 1rye h TYR 87 Cb 0.66 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.41 1rye h TYR 87 CO 0.00 0.30 -0.17 0.77 -1.05 0.00 0.00 178.16 178.01 1rye h SER 88 N 0.00 -0.41 -0.11 3.88 0.02 -1.97 -3.29 113.55 111.68 1rye h SER 88 Ca -0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1rye h SER 88 Cb 0.76 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1rye h SER 88 CO 0.04 -0.05 0.00 -0.46 -1.14 0.00 0.00 176.83 175.22 1rye n ASN 89 N -4.63 0.62 -0.30 3.07 0.23 -1.24 -4.35 115.26 108.67 1rye n ASN 89 Ca -0.06 -1.90 0.07 0.00 -0.53 0.00 0.00 54.58 52.16 1rye n ASN 89 Cb 0.19 -0.07 0.17 0.00 -2.08 0.00 0.00 39.78 37.99 1rye n ASN 89 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1rye h PHE 90 N 0.70 -0.20 -0.18 -2.53 3.57 -1.07 0.51 116.94 117.75 1rye h PHE 90 Ca 0.00 0.07 0.05 0.00 3.53 0.00 0.00 57.97 61.62 1rye h PHE 90 Cb 0.16 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1rye h PHE 90 CO 0.07 -0.34 0.17 -0.44 -2.23 0.00 0.00 178.31 175.54 1rye h ASP 91 N 0.04 0.00 -0.03 0.41 5.19 -1.85 -1.81 116.42 118.37 1rye h ASP 91 Ca 0.46 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.88 1rye h ASP 91 Cb 0.82 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.33 1rye h ASP 91 CO -0.81 0.00 0.27 0.11 -3.12 0.00 0.00 179.24 175.68 1rye h LYS 92 N 0.00 0.00 0.00 3.56 1.57 -0.29 0.96 116.57 122.37 1rye h LYS 92 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1rye h LYS 92 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1rye h LYS 92 CO -0.00 0.00 0.11 -0.84 -0.57 0.00 0.00 179.45 178.14 1rye h ILE 93 N 0.00 0.00 -0.95 1.86 3.07 -1.47 -0.78 117.51 119.24 1rye h ILE 93 Ca 0.02 0.00 0.17 0.00 1.55 0.00 0.00 64.86 66.60 1rye h ILE 93 Cb 0.55 0.53 -0.08 0.00 -0.27 0.00 0.00 36.82 37.54 1rye h ILE 93 CO -0.00 0.00 0.60 0.00 -1.05 0.00 0.00 178.15 177.70 1rye h ALA 94 N 1.74 1.84 -1.06 0.16 0.00 -1.05 -3.05 119.26 117.84 1rye h ALA 94 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1rye h ALA 94 Cb 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1rye h ALA 94 CO 0.00 -0.13 0.00 1.63 0.00 0.00 0.00 179.25 180.75 1rye n LYS 95 N -4.62 0.00 -1.54 0.00 4.76 -0.30 -4.69 118.16 111.78 1rye n LYS 95 Ca 0.20 0.36 -0.56 0.00 -2.87 0.00 0.00 58.31 55.44 1rye n LYS 95 Cb 0.55 -1.32 -0.08 0.00 -1.84 0.00 0.00 35.03 32.33 1rye n LYS 95 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1rye n ASP 96 N -1.54 1.96 0.15 4.39 -0.08 -1.15 -4.88 116.55 115.40 1rye n ASP 96 Ca 0.00 0.78 0.07 0.00 -1.51 0.00 0.00 54.79 54.12 1rye n ASP 96 Cb 0.00 -1.13 0.06 0.00 2.34 0.00 0.00 41.12 42.40 1rye n ASP 96 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1rye h PRO 97 N 9.27 0.00 0.00 -0.67 0.11 -1.84 -3.24 132.00 135.62 1rye h PRO 97 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1rye h PRO 97 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1rye h PRO 97 CO 1.01 0.23 0.09 0.87 -0.21 0.00 0.00 178.00 179.99 1rye h LYS 98 N 0.00 0.00 -5.15 1.05 1.79 -1.96 -3.33 116.57 108.97 1rye h LYS 98 Ca -0.02 0.00 -0.66 0.00 -2.18 0.00 0.00 60.65 57.79 1rye h LYS 98 Cb 1.22 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 31.70 1rye h LYS 98 CO 0.03 0.00 0.48 0.42 -1.08 0.00 0.00 179.45 179.30 1rye s ILE 99 N -3.67 4.54 0.07 1.86 1.01 -1.23 -3.21 121.20 120.57 1rye s ILE 99 Ca -0.03 -0.78 -0.14 0.00 0.00 0.00 0.00 60.65 59.71 1rye s ILE 99 Cb 0.07 -4.65 -0.26 0.00 0.01 0.00 0.00 42.46 37.63 1rye s ILE 99 CO 0.23 -1.38 1.15 0.44 0.00 0.00 0.00 174.94 175.38 1rye h ASP 100 N 9.31 0.89 -5.33 3.58 3.32 -1.54 -3.48 116.42 123.18 1rye h ASP 100 Ca -0.20 -0.77 -0.13 0.00 0.02 0.00 0.00 57.03 55.95 1rye h ASP 100 Cb 1.07 -0.28 -0.09 0.00 0.22 0.00 0.00 39.33 40.25 1rye h ASP 100 CO 1.14 1.57 -0.17 0.00 -1.72 0.00 0.00 179.24 180.06 1rye s ALA 101 N -3.16 0.12 0.16 3.45 0.00 -0.78 -2.54 121.76 119.00 1rye s ALA 101 Ca -0.09 -1.11 0.11 0.00 0.00 0.00 0.00 51.96 50.87 1rye s ALA 101 Cb 0.06 1.10 -0.04 0.00 0.00 0.00 0.00 23.12 24.25 1rye s ALA 101 CO 0.93 -0.82 -0.25 0.54 0.00 0.00 0.00 175.76 176.16 1rye s VAL 102 N -3.72 2.23 -0.28 0.00 0.11 0.14 -0.86 120.40 118.02 1rye s VAL 102 Ca 0.26 -1.87 -0.00 0.00 -2.93 0.00 0.00 61.98 57.43 1rye s VAL 102 Cb -0.00 -2.01 0.08 0.00 -1.53 0.00 0.00 36.38 32.92 1rye s VAL 102 CO 0.12 -0.04 0.05 -0.47 -3.33 0.00 0.00 175.10 171.43 1rye s TYR 103 N -1.40 1.98 -0.25 1.54 6.14 -0.40 0.41 117.35 125.37 1rye s TYR 103 Ca 0.17 -1.73 -0.25 0.00 0.64 0.00 0.00 57.07 55.89 1rye s TYR 103 Cb -0.09 -1.70 -0.00 0.00 0.42 0.00 0.00 41.96 40.59 1rye s TYR 103 CO 0.08 -0.81 0.87 0.42 0.64 0.00 0.00 175.55 176.75 1rye s ILE 104 N 1.53 4.78 -0.51 3.14 1.01 0.96 -0.85 121.20 131.25 1rye s ILE 104 Ca 0.04 1.61 0.07 0.00 0.00 0.00 0.00 60.65 62.37 1rye s ILE 104 Cb -0.18 -4.17 0.33 0.00 0.01 0.00 0.00 42.46 38.46 1rye s ILE 104 CO -0.16 -0.14 0.85 -0.38 0.00 0.00 0.00 174.94 175.12 1rye n ILE 105 N 5.34 1.90 -4.63 2.92 5.41 0.08 -2.28 119.36 128.11 1rye n ILE 105 Ca 0.07 -5.20 -0.28 0.00 1.00 0.00 0.00 62.75 58.33 1rye n ILE 105 Cb 0.47 -1.12 -0.10 0.00 -0.71 0.00 0.00 39.64 38.18 1rye n ILE 105 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1rye s LEU 106 N -3.01 2.72 0.76 1.39 1.43 -1.26 -4.52 118.68 116.21 1rye s LEU 106 Ca 0.45 -1.42 -0.15 0.00 -1.03 0.00 0.00 54.13 51.98 1rye s LEU 106 Cb 0.29 -0.82 0.00 0.00 0.03 0.00 0.00 46.19 45.69 1rye s LEU 106 CO -0.11 -0.53 0.76 -0.81 0.23 0.00 0.00 176.35 175.89 1rye n PRO 107 N -0.99 0.27 -0.18 1.29 -0.04 -1.26 -4.80 135.00 129.29 1rye n PRO 107 Ca -0.07 0.15 -0.04 0.00 -0.04 0.00 0.00 63.50 63.50 1rye n PRO 107 Cb 0.67 -2.05 0.03 0.00 -0.04 0.00 0.00 33.50 32.11 1rye n PRO 107 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1rye h ASN 108 N -0.56 -0.85 -0.57 3.54 2.35 -1.87 -1.87 115.58 115.75 1rye h ASN 108 Ca -0.46 0.20 0.17 0.00 -0.55 0.00 0.00 56.30 55.65 1rye h ASN 108 Cb 1.33 0.46 -0.02 0.00 0.05 0.00 0.00 38.32 40.14 1rye h ASN 108 CO 0.43 -0.26 0.48 0.77 -1.65 0.00 0.00 177.43 177.21 1rye h SER 109 N -0.11 0.00 -0.12 5.81 4.64 -0.63 -1.42 113.55 121.72 1rye h SER 109 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1rye h SER 109 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1rye h SER 109 CO -0.63 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 175.51 1rye n LEU 110 N -4.03 2.14 0.15 5.97 4.32 -0.70 -4.57 117.00 120.28 1rye n LEU 110 Ca 0.11 -0.81 -0.06 0.00 -0.02 0.00 0.00 56.01 55.23 1rye n LEU 110 Cb 0.71 -0.07 -0.03 0.00 -1.62 0.00 0.00 43.42 42.41 1rye n LEU 110 CO 0.33 0.40 0.42 0.45 -1.22 0.00 0.00 177.39 177.77 1rye h HIS 111 N 3.10 -0.36 -0.82 -1.77 3.86 -1.29 -3.17 115.15 114.71 1rye h HIS 111 Ca 0.00 -0.01 0.15 0.00 -1.16 0.00 0.00 60.37 59.35 1rye h HIS 111 Cb 0.67 0.12 -0.15 0.00 1.06 0.00 0.00 27.41 29.11 1rye h HIS 111 CO 0.07 -0.22 -0.30 0.00 0.86 0.00 0.00 177.93 178.34 1rye h ALA 112 N -1.76 0.27 -0.64 2.45 0.00 -1.79 -1.24 119.26 116.55 1rye h ALA 112 Ca -0.04 0.27 0.14 0.00 0.00 0.00 0.00 54.91 55.27 1rye h ALA 112 Cb 0.30 0.79 -0.11 0.00 0.00 0.00 0.00 17.79 18.77 1rye h ALA 112 CO 0.06 -0.54 -0.00 1.49 0.00 0.00 0.00 179.25 180.26 1rye h GLU 113 N -0.05 0.11 0.00 0.00 4.81 -1.84 -1.60 114.58 116.01 1rye h GLU 113 Ca 0.34 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.53 1rye h GLU 113 Cb 0.60 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 1rye h GLU 113 CO -0.85 0.07 -0.44 0.74 -0.73 0.00 0.00 179.01 177.79 1rye h PHE 114 N 0.11 0.00 -0.28 0.92 -1.00 -1.27 -2.34 116.94 113.08 1rye h PHE 114 Ca 0.34 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 61.02 1rye h PHE 114 Cb 0.55 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.11 1rye h PHE 114 CO -0.38 0.17 -0.21 0.00 -1.61 0.00 0.00 178.31 176.28 1rye h ALA 115 N 1.83 0.41 0.37 2.45 0.00 -0.74 -1.72 119.26 121.87 1rye h ALA 115 Ca -0.01 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1rye h ALA 115 Cb 1.14 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1rye h ALA 115 CO 0.02 0.36 -0.18 0.82 0.00 0.00 0.00 179.25 180.27 1rye h ILE 116 N 0.38 0.64 -0.77 0.00 2.04 -1.32 -1.39 117.51 117.10 1rye h ILE 116 Ca 0.05 -0.26 0.07 0.00 1.00 0.00 0.00 64.86 65.72 1rye h ILE 116 Cb 0.76 0.78 -0.06 0.00 -0.74 0.00 0.00 36.82 37.55 1rye h ILE 116 CO 0.06 0.05 0.44 0.03 0.00 0.00 0.00 178.15 178.73 1rye h ARG 117 N -0.64 0.77 -0.74 2.37 3.08 -1.46 -0.87 114.38 116.89 1rye h ARG 117 Ca -0.05 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 1rye h ARG 117 Cb 0.46 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 1rye h ARG 117 CO 0.08 0.51 0.35 0.00 -1.07 0.00 0.00 179.97 179.84 1rye h ALA 118 N 1.40 1.23 -0.22 0.04 0.00 -1.19 -1.51 119.26 119.00 1rye h ALA 118 Ca 0.35 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1rye h ALA 118 Cb 0.24 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1rye h ALA 118 CO -0.20 0.59 -0.26 0.74 0.00 0.00 0.00 179.25 180.12 1rye h PHE 119 N 1.05 0.46 0.00 0.00 0.04 -0.31 -0.76 116.94 117.42 1rye h PHE 119 Ca 0.26 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.93 1rye h PHE 119 Cb 0.11 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1rye h PHE 119 CO 0.01 0.64 0.00 1.63 -0.60 0.00 0.00 178.31 179.99 1rye n LYS 120 N -4.13 0.62 -0.21 1.51 5.02 -0.42 -0.94 118.16 119.61 1rye n LYS 120 Ca -0.01 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.35 1rye n LYS 120 Cb 0.40 -1.35 0.16 0.00 -0.02 0.00 0.00 35.03 34.21 1rye n LYS 120 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rye n ALA 121 N -0.85 2.43 -2.98 7.82 0.00 -0.31 -4.97 120.51 121.64 1rye n ALA 121 Ca 0.11 -1.82 -0.21 0.00 0.00 0.00 0.00 53.44 51.52 1rye n ALA 121 Cb 0.05 -0.43 0.04 0.00 0.00 0.00 0.00 19.45 19.10 1rye n ALA 121 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rye n GLY 122 N -0.43 -0.44 3.55 0.00 0.00 -0.12 -4.61 105.19 103.15 1rye n GLY 122 Ca 0.13 0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 1rye n GLY 122 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rye s LYS 123 N -5.64 1.98 0.42 1.61 -0.14 -1.08 -5.02 119.74 111.87 1rye s LYS 123 Ca 0.29 -1.42 -0.13 0.00 -1.36 0.00 0.00 55.97 53.35 1rye s LYS 123 Cb -0.13 -2.05 -0.07 0.00 -1.68 0.00 0.00 37.83 33.90 1rye s LYS 123 CO 0.36 0.39 0.81 -1.01 -0.76 0.00 0.00 175.35 175.15 1rye s HIS 124 N -1.99 3.45 -0.05 3.18 3.76 -1.05 -4.33 115.29 118.25 1rye s HIS 124 Ca 0.27 1.18 0.04 0.00 -0.15 0.00 0.00 55.06 56.40 1rye s HIS 124 Cb -0.07 -2.54 -0.00 0.00 1.11 0.00 0.00 32.58 31.07 1rye s HIS 124 CO 0.16 -0.13 -0.18 0.08 -0.85 0.00 0.00 174.74 173.82 1rye s VAL 125 N -2.36 1.52 -0.24 -0.90 1.01 -0.64 0.24 120.40 119.04 1rye s VAL 125 Ca 0.54 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.76 1rye s VAL 125 Cb -0.10 -1.31 0.03 0.00 0.00 0.00 0.00 36.38 35.00 1rye s VAL 125 CO 0.29 0.44 -0.10 -0.32 0.00 0.00 0.00 175.10 175.40 1rye s MET 126 N 0.11 2.71 -0.11 2.72 0.00 0.17 0.39 119.30 125.29 1rye s MET 126 Ca -0.06 -1.05 0.02 0.00 0.00 0.00 0.00 55.69 54.61 1rye s MET 126 Cb -0.13 -2.87 0.01 0.00 0.00 0.00 0.00 34.83 31.84 1rye s MET 126 CO 0.03 -0.41 -0.17 0.00 0.00 0.00 0.00 175.02 174.47 1rye s GLU 128 N 0.79 1.99 0.37 0.00 0.41 -0.97 -0.26 118.70 121.04 1rye s GLU 128 Ca -0.10 1.69 -0.19 0.00 -0.41 0.00 0.00 54.97 55.96 1rye s GLU 128 Cb -0.16 -1.82 -0.10 0.00 -1.78 0.00 0.00 34.13 30.27 1rye s GLU 128 CO 0.01 -1.93 0.86 -1.59 -0.49 0.00 0.00 175.26 172.12 1rye s LYS 129 N -4.08 4.16 0.30 1.61 -2.85 -1.26 -3.87 119.74 113.76 1rye s LYS 129 Ca 0.72 0.95 -0.28 0.00 -1.00 0.00 0.00 55.97 56.36 1rye s LYS 129 Cb -0.27 -2.34 -0.09 0.00 -2.06 0.00 0.00 37.83 33.07 1rye s LYS 129 CO 0.48 0.08 1.00 -1.25 0.10 0.00 0.00 175.35 175.75 1rye s PRO 130 N -3.00 4.62 0.15 1.78 0.04 -1.26 -5.01 135.00 132.33 1rye s PRO 130 Ca 0.58 1.53 -0.25 0.00 0.04 0.00 0.00 61.00 62.90 1rye s PRO 130 Cb -0.10 -3.01 -0.01 0.00 0.04 0.00 0.00 34.50 31.41 1rye s PRO 130 CO 0.16 0.27 1.35 -0.12 0.04 0.00 0.00 177.00 178.70 1rye n MET 131 N 0.92 -0.35 -4.02 4.56 0.00 -1.25 -4.78 117.12 112.20 1rye n MET 131 Ca 0.00 1.32 -0.10 0.00 -0.00 0.00 0.00 57.70 58.92 1rye n MET 131 Cb 0.48 -1.95 -0.05 0.00 0.00 0.00 0.00 33.22 31.70 1rye n MET 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1rye s ALA 132 N -5.51 0.04 -1.79 -5.12 0.00 -1.26 -4.46 121.76 103.67 1rye s ALA 132 Ca -0.11 -1.06 0.29 0.00 0.00 0.00 0.00 51.96 51.08 1rye s ALA 132 Cb 0.11 1.09 1.27 0.00 0.00 0.00 0.00 23.12 25.59 1rye s ALA 132 CO 0.56 -0.83 1.88 0.25 0.00 0.00 0.00 175.76 177.62 1rye n THR 133 N -0.42 0.00 -3.78 0.00 -2.24 -1.26 -4.85 114.28 101.73 1rye n THR 133 Ca -0.01 -0.08 -0.13 0.00 -2.27 0.00 0.00 64.05 61.56 1rye n THR 133 Cb 0.62 -0.06 -0.09 0.00 -2.10 0.00 0.00 70.33 68.69 1rye n THR 133 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1rye s SER 134 N -2.37 -0.18 0.56 3.42 1.04 -1.26 -4.88 113.70 110.02 1rye s SER 134 Ca 0.32 0.14 0.23 0.00 0.48 0.00 0.00 55.95 57.12 1rye s SER 134 Cb 0.20 0.36 1.56 0.00 0.10 0.00 0.00 66.02 68.24 1rye s SER 134 CO 0.45 -0.38 2.20 0.58 0.98 0.00 0.00 173.24 177.07 1rye h VAL 135 N 4.06 0.75 0.30 5.02 2.07 -1.88 -2.64 116.25 123.93 1rye h VAL 135 Ca -0.29 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1rye h VAL 135 Cb 1.18 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1rye h VAL 135 CO 0.38 0.00 -0.14 0.00 0.02 0.00 0.00 177.57 177.83 1rye h ALA 136 N 1.99 -0.40 0.00 1.67 0.00 -1.99 -3.02 119.26 117.51 1rye h ALA 136 Ca 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1rye h ALA 136 Cb 0.02 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1rye h ALA 136 CO -0.00 -0.63 -0.02 -0.44 0.00 0.00 0.00 179.25 178.16 1rye h ASP 137 N -0.59 0.00 -0.60 0.00 3.32 -1.88 -1.40 116.42 115.26 1rye h ASP 137 Ca -0.04 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.95 1rye h ASP 137 Cb 0.43 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1rye h ASP 137 CO 0.07 0.02 0.15 0.00 -1.72 0.00 0.00 179.24 177.76 1rye h GLN 139 N 0.88 0.58 -0.78 0.00 5.75 -1.24 -0.23 115.11 120.07 1rye h GLN 139 Ca 0.19 -0.16 0.09 0.00 -0.15 0.00 0.00 58.65 58.62 1rye h GLN 139 Cb 0.34 -0.07 -0.05 0.00 1.07 0.00 0.00 27.48 28.77 1rye h GLN 139 CO 0.00 0.66 0.51 0.00 -2.65 0.00 0.00 178.83 177.35 1rye h ARG 140 N 0.42 0.71 -0.07 1.69 3.08 -1.09 0.31 114.38 119.42 1rye h ARG 140 Ca 0.11 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 1rye h ARG 140 Cb 0.36 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 1rye h ARG 140 CO 0.01 0.47 -0.06 0.52 -1.07 0.00 0.00 179.97 179.83 1rye h MET 141 N 0.73 0.17 -0.44 0.04 2.86 -0.76 0.64 114.93 118.17 1rye h MET 141 Ca 0.36 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.91 1rye h MET 141 Cb 0.43 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 1rye h MET 141 CO -0.13 0.59 0.25 0.82 1.06 0.00 0.00 176.91 179.49 1rye h ILE 142 N -0.25 1.15 -0.08 -1.22 2.04 -0.23 -0.95 117.51 117.98 1rye h ILE 142 Ca 0.01 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 1rye h ILE 142 Cb 0.55 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1rye h ILE 142 CO 0.02 0.16 0.03 0.44 0.00 0.00 0.00 178.15 178.80 1rye h ASP 143 N 0.57 0.10 -1.00 1.72 3.32 -0.42 -1.12 116.42 119.60 1rye h ASP 143 Ca 0.15 -0.14 0.19 0.00 0.02 0.00 0.00 57.03 57.26 1rye h ASP 143 Cb 0.04 -0.03 -0.11 0.00 0.22 0.00 0.00 39.33 39.46 1rye h ASP 143 CO -0.03 0.22 0.60 0.00 -1.72 0.00 0.00 179.24 178.31 1rye h ALA 144 N 0.89 1.66 -0.16 3.45 0.00 -0.61 -0.83 119.26 123.67 1rye h ALA 144 Ca 0.03 0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.82 1rye h ALA 144 Cb 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1rye h ALA 144 CO -0.00 -0.08 -0.72 0.00 0.00 0.00 0.00 179.25 178.45 1rye h ALA 145 N 1.65 0.44 -0.33 0.00 0.00 -0.74 -3.00 119.26 117.28 1rye h ALA 145 Ca 0.58 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1rye h ALA 145 Cb 0.93 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1rye h ALA 145 CO -0.39 0.70 0.10 0.87 0.00 0.00 0.00 179.25 180.53 1rye h LYS 146 N 0.48 0.48 0.39 0.00 1.57 0.07 -2.42 116.57 117.14 1rye h LYS 146 Ca -0.03 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1rye h LYS 146 Cb 1.32 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1rye h LYS 146 CO 0.14 0.42 -0.19 0.00 -0.57 0.00 0.00 179.45 179.26 1rye h ALA 147 N 1.65 -1.00 0.00 3.86 0.00 -1.11 -3.11 119.26 119.55 1rye h ALA 147 Ca 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rye h ALA 147 Cb 0.15 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1rye h ALA 147 CO -0.01 -0.96 0.00 0.00 0.00 0.00 0.00 179.25 178.28 1rye n ALA 148 N -2.31 1.93 -3.87 0.00 0.00 -1.14 -4.83 120.51 110.28 1rye n ALA 148 Ca -0.07 -0.02 -0.26 0.00 0.00 0.00 0.00 53.44 53.10 1rye n ALA 148 Cb 0.21 -1.05 0.01 0.00 0.00 0.00 0.00 19.45 18.61 1rye n ALA 148 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1rye n ASN 149 N -0.63 -1.75 -4.31 0.00 4.05 -1.03 -4.92 115.26 106.68 1rye n ASN 149 Ca 0.02 -0.89 -0.21 0.00 0.45 0.00 0.00 54.58 53.96 1rye n ASN 149 Cb 0.01 -3.58 -0.11 0.00 1.23 0.00 0.00 39.78 37.33 1rye n ASN 149 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1rye s LYS 150 N -6.37 1.21 0.39 1.20 -0.14 -0.94 -5.07 119.74 110.03 1rye s LYS 150 Ca 0.19 -1.37 -0.23 0.00 -1.36 0.00 0.00 55.97 53.20 1rye s LYS 150 Cb -0.10 -1.22 -0.10 0.00 -1.68 0.00 0.00 37.83 34.73 1rye s LYS 150 CO 0.85 0.24 0.97 0.15 -0.76 0.00 0.00 175.35 176.80 1rye s LYS 151 N -2.78 4.31 -0.11 1.68 -0.14 -1.26 -4.56 119.74 116.88 1rye s LYS 151 Ca 0.14 1.27 0.02 0.00 -1.36 0.00 0.00 55.97 56.04 1rye s LYS 151 Cb -0.05 -2.44 0.01 0.00 -1.68 0.00 0.00 37.83 33.67 1rye s LYS 151 CO 0.06 0.03 -0.18 -1.17 -0.76 0.00 0.00 175.35 173.33 1rye s LEU 152 N -2.74 1.87 -0.03 3.17 0.20 -1.26 -1.61 118.68 118.29 1rye s LEU 152 Ca 0.58 -0.48 0.02 0.00 0.69 0.00 0.00 54.13 54.94 1rye s LEU 152 Cb -0.15 -1.20 0.01 0.00 -0.43 0.00 0.00 46.19 44.42 1rye s LEU 152 CO 0.19 0.06 -0.07 -0.32 -0.29 0.00 0.00 176.35 175.92 1rye s MET 153 N 0.76 0.82 -0.13 1.98 1.75 0.16 -3.32 119.30 121.33 1rye s MET 153 Ca -0.11 -0.24 -0.10 0.00 -1.25 0.00 0.00 55.69 54.00 1rye s MET 153 Cb -0.16 -0.79 -0.05 0.00 2.84 0.00 0.00 34.83 36.68 1rye s MET 153 CO 0.01 0.07 0.20 0.42 -0.65 0.00 0.00 175.02 175.08 1rye s ILE 154 N 0.29 5.38 -0.90 10.11 -1.09 0.24 0.46 121.20 135.70 1rye s ILE 154 Ca -0.04 0.35 -0.22 0.00 -2.23 0.00 0.00 60.65 58.51 1rye s ILE 154 Cb -0.09 -3.50 -0.13 0.00 -1.58 0.00 0.00 42.46 37.16 1rye s ILE 154 CO 0.00 0.54 1.92 0.61 -1.23 0.00 0.00 174.94 176.78 1rye n GLY 155 N 2.53 2.07 3.26 6.18 0.00 0.65 -4.81 105.19 115.07 1rye n GLY 155 Ca -0.17 -1.09 -0.43 0.00 0.00 0.00 0.00 46.02 44.32 1rye n GLY 155 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rye s TYR 156 N 6.89 3.80 0.32 1.61 2.02 -1.26 -4.22 117.35 126.51 1rye s TYR 156 Ca 0.61 -2.37 0.00 0.00 -0.37 0.00 0.00 57.07 54.94 1rye s TYR 156 Cb 0.10 -3.64 0.53 0.00 -0.40 0.00 0.00 41.96 38.54 1rye s TYR 156 CO 0.13 -0.93 1.95 0.07 -1.57 0.00 0.00 175.55 175.20 1rye h ARG 157 N 7.24 0.89 0.00 -0.62 0.11 -1.93 -1.21 114.38 118.85 1rye h ARG 157 Ca 0.10 -0.09 0.00 0.00 0.10 0.00 0.00 59.98 60.10 1rye h ARG 157 Cb 0.97 -0.18 0.00 0.00 1.11 0.00 0.00 29.97 31.87 1rye h ARG 157 CO 0.80 0.64 0.21 0.00 0.10 0.00 0.00 179.97 181.72 1rye n HIS 159 N -2.94 0.00 -0.38 0.00 8.25 -0.45 -2.88 115.22 116.81 1rye n HIS 159 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1rye n HIS 159 Cb 0.27 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 30.98 1rye n HIS 159 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1rye n TYR 160 N -1.40 0.00 -2.81 4.41 4.01 0.49 -4.95 117.16 116.91 1rye n TYR 160 Ca 0.08 -0.16 -0.42 0.00 -0.16 0.00 0.00 57.90 57.23 1rye n TYR 160 Cb 0.21 -0.02 -0.04 0.00 -0.31 0.00 0.00 39.34 39.19 1rye n TYR 160 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1rye s ASP 161 N -0.33 6.80 0.34 7.72 2.15 -0.65 -4.36 116.67 128.35 1rye s ASP 161 Ca 0.00 0.87 0.14 0.00 0.43 0.00 0.00 52.55 53.99 1rye s ASP 161 Cb 0.00 -2.47 1.09 0.00 -0.30 0.00 0.00 42.92 41.24 1rye s ASP 161 CO 0.00 -0.71 1.63 -0.65 -0.17 0.00 0.00 175.17 175.27 1rye h PRO 162 N 8.04 0.20 -0.18 4.34 0.11 -1.90 0.17 132.00 142.79 1rye h PRO 162 Ca -0.22 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.83 1rye h PRO 162 Cb 1.08 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1rye h PRO 162 CO 0.95 0.14 -0.06 0.52 -0.21 0.00 0.00 178.00 179.33 1rye h MET 163 N 0.21 0.36 -0.61 1.05 2.86 -1.91 -1.68 114.93 115.22 1rye h MET 163 Ca 0.73 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 58.20 1rye h MET 163 Cb 1.73 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 33.34 1rye h MET 163 CO -0.67 0.64 0.27 -0.91 1.06 0.00 0.00 176.91 177.30 1rye h ASN 164 N 0.06 0.79 -0.16 1.22 2.35 -1.32 -1.44 115.58 117.09 1rye h ASN 164 Ca 0.04 -0.09 -0.11 0.00 -0.55 0.00 0.00 56.30 55.60 1rye h ASN 164 Cb 0.52 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 1rye h ASN 164 CO 0.02 0.69 -0.25 0.03 -1.65 0.00 0.00 177.43 176.28 1rye h ARG 165 N 0.87 0.61 -0.52 0.81 2.47 -1.03 -1.75 114.38 115.84 1rye h ARG 165 Ca 0.21 -0.24 -0.11 0.00 -1.26 0.00 0.00 59.98 58.58 1rye h ARG 165 Cb 0.13 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.40 1rye h ARG 165 CO -0.02 0.81 -0.11 0.00 0.56 0.00 0.00 179.97 181.21 1rye h ALA 166 N 1.19 0.83 -0.06 0.04 0.00 -0.53 0.49 119.26 121.23 1rye h ALA 166 Ca 0.08 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1rye h ALA 166 Cb 0.71 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1rye h ALA 166 CO 0.05 0.66 0.03 0.00 0.00 0.00 0.00 179.25 179.99 1rye h ALA 167 N 1.01 0.07 -0.83 0.00 0.00 -1.04 0.33 119.26 118.80 1rye h ALA 167 Ca 0.14 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.09 1rye h ALA 167 Cb 0.65 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 1rye h ALA 167 CO 0.05 -0.41 0.50 0.28 0.00 0.00 0.00 179.25 179.67 1rye h VAL 168 N 0.03 1.00 -0.20 0.00 2.07 -1.09 -1.94 116.25 116.12 1rye h VAL 168 Ca 0.02 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 1rye h VAL 168 Cb 0.04 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 1rye h VAL 168 CO -0.00 0.16 -0.02 0.50 0.02 0.00 0.00 177.57 178.23 1rye h LYS 169 N 0.90 0.36 -0.10 1.57 3.64 -0.31 -1.61 116.57 121.02 1rye h LYS 169 Ca 0.37 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 59.59 1rye h LYS 169 Cb 0.22 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1rye h LYS 169 CO -0.19 0.59 -0.13 1.37 -2.27 0.00 0.00 179.45 178.82 1rye h LEU 170 N 0.10 0.15 -0.15 5.20 8.10 -0.73 -1.58 115.31 126.39 1rye h LEU 170 Ca 0.05 -0.03 -0.07 0.00 0.11 0.00 0.00 57.88 57.95 1rye h LEU 170 Cb 0.43 -0.04 -0.00 0.00 -0.44 0.00 0.00 40.66 40.61 1rye h LEU 170 CO 0.01 0.29 -0.18 0.40 -4.11 0.00 0.00 178.44 174.86 1rye h ILE 171 N 0.15 1.35 0.00 0.15 2.04 -1.20 -2.24 117.51 117.75 1rye h ILE 171 Ca 0.03 -1.36 0.00 0.00 1.00 0.00 0.00 64.86 64.53 1rye h ILE 171 Cb 0.32 1.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 1rye h ILE 171 CO 0.02 0.40 0.00 0.03 0.00 0.00 0.00 178.15 178.60 1rye h ARG 172 N 0.01 0.00 -0.64 2.37 -0.00 -0.67 0.78 114.38 116.23 1rye h ARG 172 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.50 1rye h ARG 172 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.69 1rye h ARG 172 CO 0.04 0.00 0.00 0.39 0.00 0.00 0.00 179.97 180.40 1rye n GLU 173 N -2.68 3.41 -2.38 0.04 1.02 -0.65 -4.92 120.64 114.48 1rye n GLU 173 Ca -0.01 -2.31 -0.18 0.00 -0.02 0.00 0.00 57.16 54.64 1rye n GLU 173 Cb 0.11 -1.86 -0.01 0.00 -0.02 0.00 0.00 31.44 29.66 1rye n GLU 173 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1rye n ASN 174 N 0.74 -5.18 0.18 1.62 5.15 0.27 -4.89 115.26 113.16 1rye n ASN 174 Ca 0.21 0.07 0.05 0.00 -0.60 0.00 0.00 54.58 54.31 1rye n ASN 174 Cb 0.80 -4.34 0.34 0.00 -0.53 0.00 0.00 39.78 36.05 1rye n ASN 174 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 1rye h GLN 175 N 0.00 0.00 0.00 1.20 4.20 -1.57 -2.66 115.11 116.28 1rye h GLN 175 Ca -0.42 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.29 1rye h GLN 175 Cb 1.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.09 1rye h GLN 175 CO 0.50 0.40 -1.01 1.28 -0.67 0.00 0.00 178.83 179.32 1rye n LEU 176 N -3.65 0.62 0.00 1.46 4.77 -1.26 -4.27 117.00 114.66 1rye n LEU 176 Ca -0.01 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1rye n LEU 176 Cb 0.50 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1rye n LEU 176 CO 0.37 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1rye n GLY 177 N 1.37 -0.86 3.70 -0.72 0.00 -1.01 -1.10 105.19 106.58 1rye n GLY 177 Ca 0.02 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 1rye n GLY 177 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1rye s LYS 178 N 0.00 4.35 0.20 1.61 2.20 -1.26 -4.70 119.74 122.13 1rye s LYS 178 Ca 0.00 1.83 -0.30 0.00 -0.36 0.00 0.00 55.97 57.14 1rye s LYS 178 Cb 0.00 -3.48 -0.08 0.00 -1.51 0.00 0.00 37.83 32.76 1rye s LYS 178 CO 0.00 -0.44 1.11 -0.51 -0.36 0.00 0.00 175.35 175.14 1rye s LEU 179 N 1.89 4.50 0.00 5.43 1.43 -1.26 -1.74 118.68 128.93 1rye s LEU 179 Ca 0.60 2.14 0.00 0.00 -1.03 0.00 0.00 54.13 55.84 1rye s LEU 179 Cb -0.29 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.32 1rye s LEU 179 CO 0.26 -0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.24 1rye n GLY 180 N 1.88 0.00 3.11 -3.19 0.00 -0.73 -4.44 105.19 101.83 1rye n GLY 180 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 1rye n GLY 180 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1rye s MET 181 N -0.98 0.22 -0.09 1.61 -2.45 -1.16 -1.59 119.30 114.86 1rye s MET 181 Ca 0.00 0.86 0.03 0.00 -1.25 0.00 0.00 55.69 55.33 1rye s MET 181 Cb 0.00 0.11 -0.01 0.00 1.25 0.00 0.00 34.83 36.17 1rye s MET 181 CO 0.00 -0.28 -0.17 0.08 1.05 0.00 0.00 175.02 175.70 1rye s VAL 182 N 2.50 2.72 -0.05 10.11 1.01 0.34 -1.13 120.40 135.91 1rye s VAL 182 Ca 0.00 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.22 1rye s VAL 182 Cb -0.12 -2.08 -0.00 0.00 0.00 0.00 0.00 36.38 34.17 1rye s VAL 182 CO -0.10 0.56 -0.18 -0.89 0.00 0.00 0.00 175.10 174.48 1rye s THR 183 N -0.03 1.52 0.03 3.92 2.01 -0.52 -1.14 115.64 121.43 1rye s THR 183 Ca -0.05 -0.76 0.01 0.00 0.31 0.00 0.00 61.69 61.20 1rye s THR 183 Cb -0.14 -1.31 -0.02 0.00 0.01 0.00 0.00 72.50 71.04 1rye s THR 183 CO 0.04 0.44 -0.05 0.42 -0.69 0.00 0.00 174.62 174.78 1rye s THR 184 N 0.06 0.30 -0.16 -0.82 -4.23 -1.00 -0.57 115.64 109.21 1rye s THR 184 Ca -0.05 -1.03 -0.08 0.00 -1.18 0.00 0.00 61.69 59.36 1rye s THR 184 Cb -0.12 -0.47 0.06 0.00 1.34 0.00 0.00 72.50 73.31 1rye s THR 184 CO 0.03 -0.48 0.36 -1.81 -0.54 0.00 0.00 174.62 172.18 1rye s ASP 185 N -1.59 -0.32 -0.06 3.99 1.01 -0.82 -2.18 116.67 116.70 1rye s ASP 185 Ca -0.12 0.81 -0.01 0.00 0.71 0.00 0.00 52.55 53.94 1rye s ASP 185 Cb -0.09 0.81 0.03 0.00 1.01 0.00 0.00 42.92 44.67 1rye s ASP 185 CO -0.01 -0.20 -0.01 0.20 0.21 0.00 0.00 175.17 175.36 1rye s ASN 186 N 1.73 1.38 0.03 0.27 -0.87 -0.82 -2.01 114.94 114.64 1rye s ASN 186 Ca -0.07 -0.10 -0.16 0.00 -1.57 0.00 0.00 52.86 50.96 1rye s ASN 186 Cb -0.10 -0.45 0.03 0.00 -0.02 0.00 0.00 41.25 40.71 1rye s ASN 186 CO -0.11 -0.15 0.36 -0.44 -2.57 0.00 0.00 177.10 174.19 1rye s SER 187 N 1.63 -0.22 -0.11 -1.22 0.01 -0.31 -1.21 113.70 112.27 1rye s SER 187 Ca -0.00 -0.02 -0.29 0.00 1.31 0.00 0.00 55.95 56.94 1rye s SER 187 Cb -0.13 0.38 0.07 0.00 0.21 0.00 0.00 66.02 66.55 1rye s SER 187 CO -0.04 -0.60 0.70 -0.62 0.41 0.00 0.00 173.24 173.09 1rye s ASP 188 N -1.84 -0.68 -0.38 2.44 -1.08 0.03 -0.83 116.67 114.32 1rye s ASP 188 Ca -0.07 0.91 -0.26 0.00 -0.52 0.00 0.00 52.55 52.61 1rye s ASP 188 Cb -0.02 0.79 0.02 0.00 -1.46 0.00 0.00 42.92 42.25 1rye s ASP 188 CO -0.01 -0.51 0.95 -0.69 0.52 0.00 0.00 175.17 175.44 1rye s VAL 189 N -0.76 4.54 -0.07 1.11 1.01 -1.20 -3.50 120.40 121.53 1rye s VAL 189 Ca -0.08 1.18 -0.30 0.00 0.00 0.00 0.00 61.98 62.78 1rye s VAL 189 Cb -0.01 -4.37 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 1rye s VAL 189 CO 0.07 -0.60 1.12 -0.32 0.00 0.00 0.00 175.10 175.37 1rye s MET 190 N 3.59 4.38 0.01 2.72 1.75 0.17 -4.92 119.30 127.00 1rye s MET 190 Ca 0.39 1.56 -0.35 0.00 -1.25 0.00 0.00 55.69 56.04 1rye s MET 190 Cb -0.11 -3.54 -0.18 0.00 2.84 0.00 0.00 34.83 33.84 1rye s MET 190 CO 0.20 -0.38 0.94 -3.47 -0.65 0.00 0.00 175.02 171.66 1rye n ASP 191 N 5.07 -0.04 -2.31 1.11 -0.08 -1.26 -4.86 116.55 114.18 1rye n ASP 191 Ca 0.10 1.03 -0.32 0.00 -1.51 0.00 0.00 54.79 54.09 1rye n ASP 191 Cb 0.47 -0.82 0.06 0.00 2.34 0.00 0.00 41.12 43.17 1rye n ASP 191 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1rye n GLN 192 N 1.32 2.97 -4.04 -0.67 10.64 -1.26 -4.75 117.38 121.59 1rye n GLN 192 Ca 0.18 -3.59 -0.32 0.00 -1.83 0.00 0.00 57.00 51.44 1rye n GLN 192 Cb 0.08 -2.28 -0.15 0.00 -0.86 0.00 0.00 30.24 27.02 1rye n GLN 192 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 1rye s ASN 193 N -2.30 4.53 -1.02 2.61 -0.87 -1.26 -4.81 114.94 111.82 1rye s ASN 193 Ca 0.59 -1.66 -0.15 0.00 -1.57 0.00 0.00 52.86 50.07 1rye s ASN 193 Cb 0.47 -1.55 0.00 0.00 -0.02 0.00 0.00 41.25 40.15 1rye s ASN 193 CO -0.04 -0.26 0.73 0.47 -2.57 0.00 0.00 177.10 175.42 1rye n ASP 194 N 4.38 -5.45 0.19 -1.22 8.00 -1.26 -4.84 116.55 116.35 1rye n ASP 194 Ca -0.07 -0.91 0.16 0.00 0.71 0.00 0.00 54.79 54.68 1rye n ASP 194 Cb 0.42 -3.07 0.79 0.00 -0.02 0.00 0.00 41.12 39.24 1rye n ASP 194 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 1rye h PRO 195 N -1.29 0.00 0.00 -0.24 0.11 -1.87 -1.69 132.00 127.02 1rye h PRO 195 Ca -0.57 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.54 1rye h PRO 195 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1rye h PRO 195 CO 0.43 0.00 0.02 0.00 -0.21 0.00 0.00 178.00 178.24 1rye n ALA 196 N -2.41 1.00 0.32 -0.75 0.00 -1.26 -0.40 120.51 117.02 1rye n ALA 196 Ca 0.02 0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.72 1rye n ALA 196 Cb 0.31 -1.19 0.21 0.00 0.00 0.00 0.00 19.45 18.78 1rye n ALA 196 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1rye n GLN 197 N -2.03 2.51 -4.30 0.00 7.27 -0.64 -4.91 117.38 115.29 1rye n GLN 197 Ca -0.01 -2.29 -0.34 0.00 0.07 0.00 0.00 57.00 54.43 1rye n GLN 197 Cb 0.04 -1.51 -0.12 0.00 2.41 0.00 0.00 30.24 31.06 1rye n GLN 197 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 1rye s GLN 198 N -1.50 3.68 0.23 3.69 -0.21 0.46 -4.99 119.66 121.01 1rye s GLN 198 Ca 0.38 -0.51 0.21 0.00 0.02 0.00 0.00 55.36 55.47 1rye s GLN 198 Cb 0.23 -2.97 0.94 0.00 1.00 0.00 0.00 33.01 32.21 1rye s GLN 198 CO 0.32 0.19 1.64 -2.67 -2.12 0.00 0.00 175.29 172.65 1rye n TRP 199 N 3.69 0.67 0.48 0.91 4.27 -1.26 -1.66 117.44 124.55 1rye n TRP 199 Ca -0.17 0.28 0.12 0.00 -3.89 0.00 0.00 57.50 53.85 1rye n TRP 199 Cb 0.52 -0.96 0.26 0.00 -1.36 0.00 0.00 31.31 29.78 1rye n TRP 199 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1rye h ARG 200 N 0.00 0.00 -0.37 -2.67 3.08 -1.94 -3.15 114.38 109.33 1rye h ARG 200 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1rye h ARG 200 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1rye h ARG 200 CO 0.00 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.18 1rye n LEU 201 N -2.43 3.40 -4.20 3.04 4.77 -0.66 -4.75 117.00 116.17 1rye n LEU 201 Ca 0.04 -1.45 -0.35 0.00 -0.03 0.00 0.00 56.01 54.22 1rye n LEU 201 Cb 0.46 -0.24 -0.14 0.00 -2.33 0.00 0.00 43.42 41.18 1rye n LEU 201 CO 0.33 0.72 -0.34 -0.13 -1.33 0.00 0.00 177.39 176.64 1rye s ARG 202 N -1.53 2.54 0.40 3.23 1.81 -1.20 -4.42 118.95 119.78 1rye s ARG 202 Ca 0.38 -1.19 0.20 0.00 -1.72 0.00 0.00 55.73 53.40 1rye s ARG 202 Cb 0.23 -3.20 1.16 0.00 -0.45 0.00 0.00 34.95 32.69 1rye s ARG 202 CO 0.32 -0.59 1.74 -0.09 -0.68 0.00 0.00 175.30 175.99 1rye h ARG 203 N 8.04 0.32 0.00 3.54 2.43 -1.87 0.11 114.38 126.95 1rye h ARG 203 Ca -0.23 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 58.88 1rye h ARG 203 Cb 1.07 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 1rye h ARG 203 CO 0.55 0.21 -0.19 1.49 -1.51 0.00 0.00 179.97 180.52 1rye h GLU 204 N 0.33 0.00 0.06 0.20 4.81 -1.95 -0.36 114.58 117.67 1rye h GLU 204 Ca 0.65 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 59.51 1rye h GLU 204 Cb 1.72 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 31.06 1rye h GLU 204 CO -0.34 0.19 -2.17 1.28 -0.73 0.00 0.00 179.01 177.25 1rye n LEU 205 N -3.20 2.39 -0.05 1.64 4.77 -0.19 -4.58 117.00 117.78 1rye n LEU 205 Ca 0.02 0.09 -0.11 0.00 -0.03 0.00 0.00 56.01 55.98 1rye n LEU 205 Cb 0.53 -0.80 -0.14 0.00 -2.33 0.00 0.00 43.42 40.68 1rye n LEU 205 CO 0.35 0.81 -0.79 0.00 -1.33 0.00 0.00 177.39 176.43 1rye n ALA 206 N -3.03 1.41 -1.00 -1.18 0.00 -0.15 0.05 120.51 116.61 1rye n ALA 206 Ca -0.35 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.17 1rye n ALA 206 Cb 1.04 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1rye n ALA 206 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rye n GLY 207 N 1.72 0.46 0.00 0.00 0.00 -0.15 -4.77 105.19 102.45 1rye n GLY 207 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1rye n GLY 207 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rye n GLY 208 N -2.64 2.60 0.00 -0.02 0.00 -1.26 -4.96 105.19 98.91 1rye n GLY 208 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1rye n GLY 208 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rye n GLY 209 N -1.20 0.82 0.33 -0.02 0.00 -1.26 -4.65 105.19 99.20 1rye n GLY 209 Ca 0.00 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.02 1rye n GLY 209 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rye h SER 210 N 0.00 0.42 -0.55 1.61 4.64 -1.63 -2.55 113.55 115.48 1rye h SER 210 Ca 0.00 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1rye h SER 210 Cb 0.00 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 61.97 1rye h SER 210 CO 0.00 0.28 0.30 0.25 -0.87 0.00 0.00 176.83 176.80 1rye h LEU 211 N 0.48 0.69 -0.47 5.97 5.85 -1.87 0.16 115.31 126.11 1rye h LEU 211 Ca 0.20 -0.09 -0.14 0.00 0.84 0.00 0.00 57.88 58.69 1rye h LEU 211 Cb 0.19 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1rye h LEU 211 CO -0.05 0.58 -0.28 0.24 -0.34 0.00 0.00 178.44 178.59 1rye h MET 212 N 0.74 0.96 0.09 1.25 2.86 -1.73 -1.06 114.93 118.04 1rye h MET 212 Ca 0.19 -0.44 -0.11 0.00 -2.06 0.00 0.00 59.70 57.28 1rye h MET 212 Cb 0.04 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 31.70 1rye h MET 212 CO -0.03 1.11 -0.50 0.22 1.06 0.00 0.00 176.91 178.77 1rye h ASP 213 N 0.81 0.29 0.00 1.22 3.58 -1.32 -3.39 116.42 117.62 1rye h ASP 213 Ca 0.09 -0.97 0.00 0.00 0.42 0.00 0.00 57.03 56.57 1rye h ASP 213 Cb 0.86 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.82 1rye h ASP 213 CO 0.08 1.24 -0.40 2.30 -2.88 0.00 0.00 179.24 179.58 1rye n ILE 214 N -4.31 0.00 0.24 2.25 -5.35 0.38 -4.76 119.36 107.80 1rye n ILE 214 Ca -0.12 0.00 0.08 0.00 -0.27 0.00 0.00 62.75 62.44 1rye n ILE 214 Cb 0.69 -0.04 0.58 0.00 -1.74 0.00 0.00 39.64 39.13 1rye n ILE 214 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1rye h GLY 215 N 0.00 0.00 1.31 3.28 0.00 -1.03 -1.64 103.07 104.99 1rye h GLY 215 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.39 1rye h GLY 215 CO 0.00 0.00 0.29 1.19 0.00 0.00 0.00 176.54 178.02 1rye h ILE 216 N 0.00 0.30 -0.37 2.60 2.10 -1.42 0.71 117.51 121.44 1rye h ILE 216 Ca -0.00 0.00 -0.11 0.00 1.08 0.00 0.00 64.86 65.83 1rye h ILE 216 Cb 0.38 0.75 -0.01 0.00 -1.09 0.00 0.00 36.82 36.85 1rye h ILE 216 CO 0.02 0.00 -0.22 1.88 -1.08 0.00 0.00 178.15 178.75 1rye h TYR 217 N 0.00 0.81 -0.12 2.19 0.05 -1.60 0.12 116.97 118.43 1rye h TYR 217 Ca 0.09 -0.18 -0.05 0.00 0.05 0.00 0.00 58.73 58.65 1rye h TYR 217 Cb 0.67 -0.20 -0.00 0.00 1.01 0.00 0.00 36.73 38.22 1rye h TYR 217 CO 0.00 0.88 -0.11 0.78 -1.05 0.00 0.00 178.16 178.66 1rye h GLY 218 N 0.98 0.30 0.79 3.88 0.00 0.27 -0.56 103.07 108.73 1rye h GLY 218 Ca 0.09 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 1rye h GLY 218 CO 0.05 0.28 -0.24 -2.00 0.00 0.00 0.00 176.54 174.63 1rye h LEU 219 N -0.11 -0.62 -0.71 3.11 5.85 -1.20 -0.57 115.31 121.06 1rye h LEU 219 Ca 0.02 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1rye h LEU 219 Cb 0.62 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 1rye h LEU 219 CO 0.03 -0.36 0.45 -1.13 -0.34 0.00 0.00 178.44 177.09 1rye h ASN 220 N -0.54 0.84 -0.50 1.25 -0.73 -0.79 -2.72 115.58 112.38 1rye h ASN 220 Ca -0.02 -0.04 -0.08 0.00 1.87 0.00 0.00 56.30 58.04 1rye h ASN 220 Cb 0.48 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 38.84 1rye h ASN 220 CO -0.02 0.63 0.02 1.23 -0.37 0.00 0.00 177.43 178.92 1rye h GLY 221 N 0.97 0.94 0.45 1.57 0.00 -0.92 -2.35 103.07 103.72 1rye h GLY 221 Ca 0.26 -0.68 0.12 0.00 0.00 0.00 0.00 47.33 47.03 1rye h GLY 221 CO -0.05 0.62 0.61 -0.84 0.00 0.00 0.00 176.54 176.88 1rye h THR 222 N 0.74 0.90 -0.22 4.70 2.02 -0.94 0.02 112.91 120.13 1rye h THR 222 Ca 0.14 -0.33 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 1rye h THR 222 Cb 0.49 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 1rye h THR 222 CO 0.02 0.17 0.02 0.03 0.37 0.00 0.00 175.52 176.13 1rye h ARG 223 N 0.95 0.38 0.00 6.66 3.08 -1.14 -2.36 114.38 121.95 1rye h ARG 223 Ca 0.49 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.43 1rye h ARG 223 Cb 0.50 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1rye h ARG 223 CO -0.27 0.55 -0.25 2.48 -1.07 0.00 0.00 179.97 181.41 1rye n TYR 224 N -4.69 0.81 0.08 3.04 0.18 -0.89 0.36 117.16 116.05 1rye n TYR 224 Ca -0.04 0.24 -0.22 0.00 1.88 0.00 0.00 57.90 59.76 1rye n TYR 224 Cb 0.22 -0.84 -0.13 0.00 -0.38 0.00 0.00 39.34 38.21 1rye n TYR 224 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 1rye h LEU 225 N 0.00 0.82 0.13 -3.48 3.38 -1.01 -3.28 115.31 111.88 1rye h LEU 225 Ca 0.00 -0.82 -0.28 0.00 0.09 0.00 0.00 57.88 56.87 1rye h LEU 225 Cb 0.75 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1rye h LEU 225 CO 0.00 1.56 -1.31 -0.07 0.09 0.00 0.00 178.44 178.71 1rye h LEU 226 N 0.20 0.43 -0.11 1.67 3.38 -1.43 -3.48 115.31 115.96 1rye h LEU 226 Ca -0.17 -0.48 -0.07 0.00 0.09 0.00 0.00 57.88 57.25 1rye h LEU 226 Cb 1.83 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 42.45 1rye h LEU 226 CO 0.22 1.38 -0.10 0.61 0.09 0.00 0.00 178.44 180.64 1rye n GLY 227 N 1.56 0.43 3.65 0.83 0.00 0.16 -5.04 105.19 106.78 1rye n GLY 227 Ca -0.10 -0.66 -0.09 0.00 0.00 0.00 0.00 46.02 45.17 1rye n GLY 227 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1rye s GLU 228 N -4.60 1.71 0.08 1.61 -1.05 -1.12 -4.99 118.70 110.34 1rye s GLU 228 Ca 0.04 -1.28 0.05 0.00 -0.15 0.00 0.00 54.97 53.62 1rye s GLU 228 Cb -0.02 0.51 -0.04 0.00 -0.44 0.00 0.00 34.13 34.14 1rye s GLU 228 CO 0.05 -0.74 -0.01 -1.21 0.95 0.00 0.00 175.26 174.30 1rye s GLU 229 N -3.70 2.54 0.39 -4.83 0.41 -1.26 -4.66 118.70 107.58 1rye s GLU 229 Ca 0.21 -0.82 -0.25 0.00 -0.41 0.00 0.00 54.97 53.70 1rye s GLU 229 Cb -0.02 -2.53 -0.09 0.00 -1.78 0.00 0.00 34.13 29.71 1rye s GLU 229 CO 0.10 0.55 1.10 -1.25 -0.49 0.00 0.00 175.26 175.27 1rye s PRO 230 N -2.17 4.16 -0.01 0.39 0.04 -1.26 -4.30 135.00 131.84 1rye s PRO 230 Ca 0.24 1.67 0.12 0.00 0.04 0.00 0.00 61.00 63.07 1rye s PRO 230 Cb -0.12 -2.65 -0.16 0.00 0.04 0.00 0.00 34.50 31.61 1rye s PRO 230 CO 0.16 -0.19 0.38 0.44 0.04 0.00 0.00 177.00 177.84 1rye n ILE 231 N 0.10 0.00 -3.79 0.56 -5.35 0.06 -4.39 119.36 106.54 1rye n ILE 231 Ca 0.04 -0.25 -0.13 0.00 -0.27 0.00 0.00 62.75 62.14 1rye n ILE 231 Cb 0.48 0.58 -0.13 0.00 -1.74 0.00 0.00 39.64 38.83 1rye n ILE 231 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1rye s GLU 232 N -2.51 0.17 0.04 6.28 2.12 -1.19 -0.10 118.70 123.52 1rye s GLU 232 Ca -0.00 0.28 0.04 0.00 0.36 0.00 0.00 54.97 55.65 1rye s GLU 232 Cb 0.08 0.02 -0.02 0.00 0.26 0.00 0.00 34.13 34.47 1rye s GLU 232 CO 0.50 -0.06 -0.13 0.54 -0.54 0.00 0.00 175.26 175.57 1rye s VAL 233 N 0.40 1.00 0.07 3.70 0.11 -0.14 -1.92 120.40 123.62 1rye s VAL 233 Ca -0.03 -1.03 0.02 0.00 -2.93 0.00 0.00 61.98 58.02 1rye s VAL 233 Cb -0.04 -0.93 -0.03 0.00 -1.53 0.00 0.00 36.38 33.85 1rye s VAL 233 CO -0.02 -0.08 -0.07 -0.13 -3.33 0.00 0.00 175.10 171.46 1rye s ARG 234 N -1.26 0.67 0.02 1.54 0.52 0.59 -0.49 118.95 120.54 1rye s ARG 234 Ca -0.01 -1.02 -0.28 0.00 -0.52 0.00 0.00 55.73 53.90 1rye s ARG 234 Cb -0.08 -0.26 0.10 0.00 0.52 0.00 0.00 34.95 35.23 1rye s ARG 234 CO 0.01 0.02 0.89 0.00 0.02 0.00 0.00 175.30 176.24 1rye s ALA 235 N -2.40 -1.80 0.00 2.13 0.00 -1.26 -0.42 121.76 118.02 1rye s ALA 235 Ca 0.00 0.88 -0.09 0.00 0.00 0.00 0.00 51.96 52.75 1rye s ALA 235 Cb -0.03 0.46 0.01 0.00 0.00 0.00 0.00 23.12 23.55 1rye s ALA 235 CO -0.02 -0.74 0.17 -0.47 0.00 0.00 0.00 175.76 174.71 1rye s TYR 236 N -3.16 -0.00 0.11 0.00 5.04 -0.16 -3.45 117.35 115.73 1rye s TYR 236 Ca 0.06 -0.06 -0.04 0.00 -2.44 0.00 0.00 57.07 54.59 1rye s TYR 236 Cb -0.01 -0.02 -0.03 0.00 0.35 0.00 0.00 41.96 42.25 1rye s TYR 236 CO -0.08 -0.31 0.11 -0.08 -1.34 0.00 0.00 175.55 173.85 1rye s THR 237 N -1.39 0.13 -0.28 4.34 -1.32 -1.26 -0.30 115.64 115.54 1rye s THR 237 Ca -0.14 -1.64 -0.23 0.00 -1.21 0.00 0.00 61.69 58.47 1rye s THR 237 Cb -0.07 -1.75 0.13 0.00 -1.51 0.00 0.00 72.50 69.30 1rye s THR 237 CO 0.02 -0.58 1.02 -0.47 -2.21 0.00 0.00 174.62 172.40 1rye s TYR 238 N -3.97 -0.50 0.03 9.09 6.14 -0.90 -5.01 117.35 122.23 1rye s TYR 238 Ca 0.15 1.16 0.03 0.00 0.64 0.00 0.00 57.07 59.05 1rye s TYR 238 Cb 0.06 0.37 -0.02 0.00 0.42 0.00 0.00 41.96 42.79 1rye s TYR 238 CO -0.04 -0.24 -0.09 -1.12 0.64 0.00 0.00 175.55 174.70 1rye s SER 239 N 0.50 1.00 -0.46 4.32 0.01 -1.26 -3.44 113.70 114.36 1rye s SER 239 Ca 0.00 -0.43 -0.27 0.00 1.31 0.00 0.00 55.95 56.57 1rye s SER 239 Cb -0.05 -0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.12 1rye s SER 239 CO -0.09 -0.09 2.10 -0.62 0.41 0.00 0.00 173.24 174.95 1rye s ASP 240 N -1.15 5.10 0.35 2.44 -1.08 -1.26 -4.81 116.67 116.26 1rye s ASP 240 Ca -0.04 0.99 0.11 0.00 -0.52 0.00 0.00 52.55 53.08 1rye s ASP 240 Cb -0.08 -2.52 0.59 0.00 -1.46 0.00 0.00 42.92 39.46 1rye s ASP 240 CO 0.01 -2.39 1.21 1.55 0.52 0.00 0.00 175.17 176.07 1rye h PRO 241 N 16.28 0.00 -0.31 4.34 0.13 -1.98 0.26 132.00 150.73 1rye h PRO 241 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1rye h PRO 241 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1rye h PRO 241 CO 1.13 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.99 1rye n ASN 242 N -2.05 2.98 -4.43 1.44 3.02 -1.26 -4.84 115.26 110.13 1rye n ASN 242 Ca -0.01 -1.87 -0.44 0.00 -0.03 0.00 0.00 54.58 52.23 1rye n ASN 242 Cb 0.44 -0.20 -0.06 0.00 -0.61 0.00 0.00 39.78 39.35 1rye n ASN 242 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1rye s ASP 243 N -1.19 6.21 0.65 6.41 -1.08 0.93 -4.91 116.67 123.69 1rye s ASP 243 Ca 0.29 -1.06 0.28 0.00 -0.52 0.00 0.00 52.55 51.54 1rye s ASP 243 Cb 0.17 -2.30 1.51 0.00 -1.46 0.00 0.00 42.92 40.84 1rye s ASP 243 CO 0.23 -0.97 1.87 1.05 0.52 0.00 0.00 175.17 177.86 1rye h GLU 244 N 9.07 0.00 -0.44 4.34 4.11 -1.88 -1.02 114.58 128.76 1rye h GLU 244 Ca -0.28 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.17 1rye h GLU 244 Cb 1.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 1rye h GLU 244 CO 1.01 0.00 0.29 0.00 0.07 0.00 0.00 179.01 180.38 1rye h ARG 245 N 0.00 0.52 -2.39 1.06 3.08 -1.94 -3.27 114.38 111.45 1rye h ARG 245 Ca 0.05 -0.03 -0.66 0.00 0.07 0.00 0.00 59.98 59.41 1rye h ARG 245 Cb 0.86 -0.12 -0.38 0.00 0.08 0.00 0.00 29.97 30.42 1rye h ARG 245 CO -0.00 0.35 -0.17 1.19 -1.07 0.00 0.00 179.97 180.27 1rye n PHE 246 N -4.48 3.29 -0.04 3.04 3.72 -0.39 -4.68 117.46 117.93 1rye n PHE 246 Ca 0.04 -3.66 0.04 0.00 -0.05 0.00 0.00 57.45 53.82 1rye n PHE 246 Cb 0.10 -0.76 -0.16 0.00 -0.94 0.00 0.00 39.48 37.72 1rye n PHE 246 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1rye n VAL 247 N 0.82 0.46 0.00 -4.37 0.31 -1.24 -4.64 118.33 109.68 1rye n VAL 247 Ca 0.30 -0.61 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 1rye n VAL 247 Cb 0.38 -0.15 0.00 0.00 -0.91 0.00 0.00 33.84 33.16 1rye n VAL 247 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1rye n GLU 248 N -2.41 1.70 -4.20 5.55 1.02 -1.26 -5.07 120.64 115.97 1rye n GLU 248 Ca -0.14 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.82 1rye n GLU 248 Cb 0.76 -0.91 -0.12 0.00 -0.02 0.00 0.00 31.44 31.15 1rye n GLU 248 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1rye s VAL 249 N -1.70 1.18 0.46 2.62 -7.23 -1.26 -4.54 120.40 109.93 1rye s VAL 249 Ca 0.00 -1.46 -0.22 0.00 -1.81 0.00 0.00 61.98 58.49 1rye s VAL 249 Cb 0.00 -1.25 -0.08 0.00 0.56 0.00 0.00 36.38 35.62 1rye s VAL 249 CO 0.00 -0.30 1.12 -1.83 -0.31 0.00 0.00 175.10 173.78 1rye s GLU 250 N -2.10 3.82 -0.03 4.82 1.03 -1.26 -4.51 118.70 120.47 1rye s GLU 250 Ca 0.02 1.64 -0.01 0.00 0.03 0.00 0.00 54.97 56.65 1rye s GLU 250 Cb -0.08 -2.35 -0.00 0.00 -0.80 0.00 0.00 34.13 30.89 1rye s GLU 250 CO 0.02 -0.47 -0.02 0.22 -1.33 0.00 0.00 175.26 173.68 1rye h ASP 251 N 2.00 0.00 -4.12 0.83 3.58 -1.94 -2.51 116.42 114.26 1rye h ASP 251 Ca -0.49 0.00 -0.69 0.00 0.42 0.00 0.00 57.03 56.27 1rye h ASP 251 Cb 1.24 0.00 -0.24 0.00 1.72 0.00 0.00 39.33 42.05 1rye h ASP 251 CO 0.60 0.13 -0.83 -0.13 -2.88 0.00 0.00 179.24 176.13 1rye s ARG 252 N -1.20 2.03 -0.13 0.28 3.00 -1.22 -2.60 118.95 119.11 1rye s ARG 252 Ca -0.02 -0.99 -0.11 0.00 0.00 0.00 0.00 55.73 54.61 1rye s ARG 252 Cb 0.00 -2.13 0.04 0.00 0.00 0.00 0.00 34.95 32.86 1rye s ARG 252 CO 0.03 0.54 0.34 -1.50 0.00 0.00 0.00 175.30 174.71 1rye s ILE 253 N -0.85 -0.01 -0.09 1.52 2.07 -1.13 -2.13 121.20 120.58 1rye s ILE 253 Ca 0.13 0.03 0.03 0.00 -1.41 0.00 0.00 60.65 59.43 1rye s ILE 253 Cb -0.10 -0.49 -0.01 0.00 0.13 0.00 0.00 42.46 41.98 1rye s ILE 253 CO 0.03 0.01 -0.18 -0.63 -1.91 0.00 0.00 174.94 172.26 1rye s ILE 254 N 0.44 2.62 -0.03 2.00 1.01 0.58 -2.41 121.20 125.42 1rye s ILE 254 Ca -0.02 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 59.82 1rye s ILE 254 Cb -0.04 -2.04 -0.00 0.00 0.01 0.00 0.00 42.46 40.39 1rye s ILE 254 CO -0.02 0.56 -0.11 -1.66 0.00 0.00 0.00 174.94 173.70 1rye s TRP 255 N 0.01 1.13 -0.01 3.97 -2.14 0.29 -0.99 118.94 121.20 1rye s TRP 255 Ca -0.06 -0.28 0.05 0.00 2.66 0.00 0.00 56.10 58.47 1rye s TRP 255 Cb -0.15 -0.78 -0.03 0.00 -3.10 0.00 0.00 33.47 29.42 1rye s TRP 255 CO 0.05 -0.09 -0.15 -1.14 -2.66 0.00 0.00 176.95 172.96 1rye s GLN 256 N 0.05 2.37 0.09 3.25 -0.44 0.44 -1.52 119.66 123.90 1rye s GLN 256 Ca -0.01 -0.79 -0.02 0.00 -2.50 0.00 0.00 55.36 52.04 1rye s GLN 256 Cb -0.08 -2.33 -0.04 0.00 -1.64 0.00 0.00 33.01 28.92 1rye s GLN 256 CO 0.01 0.59 0.03 -1.64 0.50 0.00 0.00 175.29 174.78 1rye s MET 257 N -1.05 0.76 0.00 1.67 -1.94 -0.50 -0.30 119.30 117.94 1rye s MET 257 Ca 0.13 -1.27 0.02 0.00 -1.71 0.00 0.00 55.69 52.86 1rye s MET 257 Cb -0.11 0.24 -0.01 0.00 2.01 0.00 0.00 34.83 36.96 1rye s MET 257 CO 0.03 -0.19 -0.07 0.50 -0.01 0.00 0.00 175.02 175.28 1rye s ARG 258 N -3.96 0.54 0.31 2.03 3.52 -0.81 -2.43 118.95 118.15 1rye s ARG 258 Ca 0.13 -0.30 0.09 0.00 -0.13 0.00 0.00 55.73 55.52 1rye s ARG 258 Cb 0.07 -0.51 -0.05 0.00 -1.56 0.00 0.00 34.95 32.91 1rye s ARG 258 CO -0.06 0.14 0.04 -0.06 -0.81 0.00 0.00 175.30 174.55 1rye s PHE 259 N -0.29 2.64 0.39 5.12 0.40 -0.45 -0.76 117.98 125.02 1rye s PHE 259 Ca 0.01 -0.34 0.08 0.00 -0.60 0.00 0.00 56.93 56.08 1rye s PHE 259 Cb -0.03 -1.41 0.82 0.00 0.51 0.00 0.00 43.02 42.91 1rye s PHE 259 CO -0.00 0.50 1.99 -0.09 0.70 0.00 0.00 175.22 178.31 1rye h ARG 260 N 1.78 0.63 0.00 0.44 9.65 -1.89 0.55 114.38 125.53 1rye h ARG 260 Ca -0.43 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.41 1rye h ARG 260 Cb 1.25 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.69 1rye h ARG 260 CO 0.63 0.42 0.00 -1.13 2.80 0.00 0.00 179.97 182.69 1rye n SER 261 N -4.47 0.57 0.00 -3.80 3.41 -1.26 -4.84 113.62 103.23 1rye n SER 261 Ca 0.09 0.65 0.00 0.00 -0.26 0.00 0.00 58.87 59.34 1rye n SER 261 Cb 0.21 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 1rye n SER 261 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rye n GLY 262 N -0.06 0.68 3.77 5.00 0.00 0.19 -5.06 105.19 109.72 1rye n GLY 262 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1rye n GLY 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rye s ALA 263 N -2.23 2.69 0.32 4.61 0.00 -1.25 -4.73 121.76 121.17 1rye s ALA 263 Ca 0.00 0.86 0.09 0.00 0.00 0.00 0.00 51.96 52.91 1rye s ALA 263 Cb 0.00 -3.38 -0.06 0.00 0.00 0.00 0.00 23.12 19.68 1rye s ALA 263 CO 0.00 -0.82 -0.09 -0.51 0.00 0.00 0.00 175.76 174.34 1rye s LEU 264 N -3.78 2.66 -0.06 0.00 1.43 -0.62 -1.34 118.68 116.97 1rye s LEU 264 Ca 0.73 -1.19 -0.27 0.00 -1.03 0.00 0.00 54.13 52.37 1rye s LEU 264 Cb -0.25 -0.92 0.06 0.00 0.03 0.00 0.00 46.19 45.11 1rye s LEU 264 CO 0.28 -0.22 0.61 -0.94 0.23 0.00 0.00 176.35 176.31 1rye s SER 265 N -3.56 -0.57 -0.02 2.29 1.04 -1.02 -0.50 113.70 111.35 1rye s SER 265 Ca 0.32 0.65 0.00 0.00 0.48 0.00 0.00 55.95 57.40 1rye s SER 265 Cb 0.02 0.57 0.03 0.00 0.10 0.00 0.00 66.02 66.74 1rye s SER 265 CO 0.15 -0.54 0.02 -1.38 0.98 0.00 0.00 173.24 172.47 1rye s HIS 266 N -1.08 0.09 0.26 5.02 -3.43 -0.29 -1.42 115.29 114.45 1rye s HIS 266 Ca -0.11 0.10 -0.08 0.00 -0.80 0.00 0.00 55.06 54.17 1rye s HIS 266 Cb -0.01 -0.28 -0.01 0.00 -1.43 0.00 0.00 32.58 30.85 1rye s HIS 266 CO 0.08 -0.10 0.41 0.20 -2.00 0.00 0.00 174.74 173.34 1rye s GLY 267 N 1.06 0.91 0.19 -1.38 0.00 -0.57 -2.38 107.32 105.15 1rye s GLY 267 Ca -0.09 -1.17 -0.18 0.00 0.00 0.00 0.00 44.72 43.28 1rye s GLY 267 CO -0.03 -0.85 0.53 0.00 0.00 0.00 0.00 173.10 172.75 1rye s ALA 268 N -3.82 -0.96 0.03 3.20 0.00 -0.93 -0.55 121.76 118.73 1rye s ALA 268 Ca 0.27 -0.20 0.02 0.00 0.00 0.00 0.00 51.96 52.05 1rye s ALA 268 Cb 0.01 0.85 -0.02 0.00 0.00 0.00 0.00 23.12 23.96 1rye s ALA 268 CO 0.12 -0.80 -0.06 -1.54 0.00 0.00 0.00 175.76 173.48 1rye s SER 269 N -2.87 0.66 -0.00 0.00 1.04 -1.01 -1.95 113.70 109.57 1rye s SER 269 Ca 0.09 -0.44 -0.01 0.00 0.48 0.00 0.00 55.95 56.06 1rye s SER 269 Cb -0.01 0.03 -0.00 0.00 0.10 0.00 0.00 66.02 66.14 1rye s SER 269 CO -0.03 -0.17 0.02 -0.55 0.98 0.00 0.00 173.24 173.49 1rye s SER 270 N -1.26 0.04 0.00 7.02 0.15 -0.35 -2.85 113.70 116.46 1rye s SER 270 Ca -0.09 -0.10 0.14 0.00 0.70 0.00 0.00 55.95 56.60 1rye s SER 270 Cb -0.08 0.09 0.12 0.00 -1.71 0.00 0.00 66.02 64.43 1rye s SER 270 CO 0.00 -0.11 0.95 -1.22 1.20 0.00 0.00 173.24 174.05 1rye n TYR 271 N 2.56 0.02 -0.73 3.44 4.01 -1.07 -0.79 117.16 124.59 1rye n TYR 271 Ca -0.16 -0.02 0.03 0.00 -0.16 0.00 0.00 57.90 57.60 1rye n TYR 271 Cb 0.58 -0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.66 1rye n TYR 271 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1rye n SER 272 N 0.77 1.60 -4.04 7.72 3.41 -1.23 -0.66 113.62 121.20 1rye n SER 272 Ca 0.08 -2.22 -0.17 0.00 -0.26 0.00 0.00 58.87 56.30 1rye n SER 272 Cb 0.35 -0.17 -0.14 0.00 -0.26 0.00 0.00 64.21 63.99 1rye n SER 272 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1rye s THR 273 N -1.37 0.70 0.23 6.66 -4.23 -1.26 -4.87 115.64 111.49 1rye s THR 273 Ca 0.11 -0.61 -0.27 0.00 -1.18 0.00 0.00 61.69 59.73 1rye s THR 273 Cb 0.09 -0.63 -0.17 0.00 1.34 0.00 0.00 72.50 73.14 1rye s THR 273 CO 0.01 0.03 0.51 0.41 -0.54 0.00 0.00 174.62 175.04 1rye n THR 274 N 2.41 1.87 -1.04 3.99 -1.04 -1.26 -2.44 114.28 116.76 1rye n THR 274 Ca -0.16 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.05 60.95 1rye n THR 274 Cb 0.56 -0.07 -0.05 0.00 -1.82 0.00 0.00 70.33 68.95 1rye n THR 274 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1rye n THR 275 N -0.09 0.31 -3.72 12.58 -1.04 -1.22 -4.52 114.28 116.58 1rye n THR 275 Ca 0.17 -0.08 -0.13 0.00 -2.04 0.00 0.00 64.05 61.97 1rye n THR 275 Cb 0.27 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.68 1rye n THR 275 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1rye s THR 276 N -0.15 -0.00 -0.45 12.58 2.01 -0.01 -4.90 115.64 124.72 1rye s THR 276 Ca 0.60 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.67 1rye s THR 276 Cb -0.84 -0.62 0.18 0.00 0.01 0.00 0.00 72.50 71.23 1rye s THR 276 CO 0.40 0.00 0.62 -0.55 -0.69 0.00 0.00 174.62 174.40 1rye s SER 277 N 0.26 -0.94 -0.08 3.53 0.15 -1.21 -1.16 113.70 114.25 1rye s SER 277 Ca -0.00 -1.46 0.00 0.00 0.70 0.00 0.00 55.95 55.18 1rye s SER 277 Cb -0.03 1.58 0.02 0.00 -1.71 0.00 0.00 66.02 65.88 1rye s SER 277 CO 0.00 -0.13 -0.06 -0.60 1.20 0.00 0.00 173.24 173.65 1rye s ARG 278 N 1.24 1.20 0.11 5.44 3.52 -0.85 -0.69 118.95 128.91 1rye s ARG 278 Ca 0.23 -0.16 0.09 0.00 -0.13 0.00 0.00 55.73 55.76 1rye s ARG 278 Cb -0.03 -1.26 -0.04 0.00 -1.56 0.00 0.00 34.95 32.07 1rye s ARG 278 CO -0.07 -0.19 -0.20 -0.06 -0.81 0.00 0.00 175.30 173.98 1rye s PHE 279 N 1.42 2.49 -0.05 5.12 0.08 -0.68 -1.95 117.98 124.41 1rye s PHE 279 Ca -0.02 -0.29 -0.02 0.00 0.12 0.00 0.00 56.93 56.72 1rye s PHE 279 Cb -0.13 -1.35 0.03 0.00 -0.57 0.00 0.00 43.02 41.00 1rye s PHE 279 CO -0.04 0.35 0.10 0.45 -0.10 0.00 0.00 175.22 175.98 1rye s SER 280 N -1.99 -0.05 -0.20 1.36 0.15 0.26 -0.63 113.70 112.60 1rye s SER 280 Ca 0.16 0.21 0.01 0.00 0.70 0.00 0.00 55.95 57.03 1rye s SER 280 Cb -0.10 0.11 0.05 0.00 -1.71 0.00 0.00 66.02 64.36 1rye s SER 280 CO 0.08 -0.13 -0.10 -0.69 1.20 0.00 0.00 173.24 173.60 1rye s VAL 281 N 1.05 1.63 -0.26 4.45 1.01 0.20 -1.44 120.40 127.04 1rye s VAL 281 Ca -0.08 -1.04 -0.14 0.00 0.00 0.00 0.00 61.98 60.71 1rye s VAL 281 Cb -0.11 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1rye s VAL 281 CO -0.05 0.13 0.32 -1.10 0.00 0.00 0.00 175.10 174.40 1rye s GLN 282 N 1.39 4.03 0.49 2.72 -0.21 -0.28 0.03 119.66 127.83 1rye s GLN 282 Ca -0.02 -0.04 0.03 0.00 0.02 0.00 0.00 55.36 55.36 1rye s GLN 282 Cb -0.17 -3.63 0.03 0.00 1.00 0.00 0.00 33.01 30.25 1rye s GLN 282 CO -0.08 -0.20 0.29 0.41 -2.12 0.00 0.00 175.29 173.59 1rye n GLY 283 N 4.62 2.96 0.05 3.09 0.00 0.89 -1.77 105.19 115.03 1rye n GLY 283 Ca -0.10 -2.30 0.13 0.00 0.00 0.00 0.00 46.02 43.74 1rye n GLY 283 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rye n ASP 284 N -1.72 0.55 -0.10 1.61 5.75 -0.71 -4.00 116.55 117.92 1rye n ASP 284 Ca -0.06 0.21 -0.12 0.00 -0.01 0.00 0.00 54.79 54.81 1rye n ASP 284 Cb 0.57 -0.16 -0.11 0.00 -1.03 0.00 0.00 41.12 40.39 1rye n ASP 284 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1rye n LYS 285 N -1.89 0.81 -3.83 0.11 4.81 -0.26 -4.97 118.16 112.94 1rye n LYS 285 Ca 0.05 0.07 -0.07 0.00 -0.87 0.00 0.00 58.31 57.50 1rye n LYS 285 Cb 0.39 -1.43 0.00 0.00 0.02 0.00 0.00 35.03 34.02 1rye n LYS 285 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1rye s ALA 286 N -2.42 -1.11 -0.03 3.14 0.00 -0.71 -4.40 121.76 116.23 1rye s ALA 286 Ca -0.21 -0.45 0.06 0.00 0.00 0.00 0.00 51.96 51.35 1rye s ALA 286 Cb 0.07 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 23.92 1rye s ALA 286 CO 0.57 -1.02 -0.21 0.08 0.00 0.00 0.00 175.76 175.18 1rye s VAL 287 N -2.97 1.68 -0.16 0.00 1.01 0.03 -0.07 120.40 119.92 1rye s VAL 287 Ca 0.14 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 1rye s VAL 287 Cb -0.05 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 1rye s VAL 287 CO 0.08 0.48 -0.10 -0.22 0.00 0.00 0.00 175.10 175.34 1rye s LEU 288 N -0.25 2.80 -0.07 3.92 2.96 0.10 -0.08 118.68 128.06 1rye s LEU 288 Ca 0.02 -0.33 0.05 0.00 -0.22 0.00 0.00 54.13 53.65 1rye s LEU 288 Cb -0.11 -1.66 -0.01 0.00 0.50 0.00 0.00 46.19 44.92 1rye s LEU 288 CO 0.01 0.12 -0.24 -0.22 -1.32 0.00 0.00 176.35 174.70 1rye s LEU 289 N 0.66 2.13 -0.19 -0.68 2.96 0.47 0.61 118.68 124.63 1rye s LEU 289 Ca -0.05 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.36 1rye s LEU 289 Cb -0.15 -1.40 0.03 0.00 0.50 0.00 0.00 46.19 45.17 1rye s LEU 289 CO 0.02 0.23 -0.18 -0.04 -1.32 0.00 0.00 176.35 175.06 1rye s MET 290 N -0.05 2.88 -0.30 1.98 -1.94 0.19 0.19 119.30 122.26 1rye s MET 290 Ca -0.07 -0.90 -0.03 0.00 -1.71 0.00 0.00 55.69 52.98 1rye s MET 290 Cb -0.15 -2.62 0.19 0.00 2.01 0.00 0.00 34.83 34.26 1rye s MET 290 CO 0.05 -0.26 0.75 0.34 -0.01 0.00 0.00 175.02 175.88 1rye s ASP 291 N 1.26 -1.15 0.54 3.03 2.15 0.58 -1.69 116.67 121.40 1rye s ASP 291 Ca 0.03 0.42 -0.20 0.00 0.43 0.00 0.00 52.55 53.23 1rye s ASP 291 Cb -0.14 1.84 -0.05 0.00 -0.30 0.00 0.00 42.92 44.27 1rye s ASP 291 CO -0.12 -0.21 1.19 -2.84 -0.17 0.00 0.00 175.17 173.02 1rye s PRO 292 N 2.88 3.27 -0.20 4.34 0.02 -1.26 -4.20 135.00 139.85 1rye s PRO 292 Ca 0.14 1.79 0.11 0.00 0.02 0.00 0.00 61.00 63.07 1rye s PRO 292 Cb -0.10 -2.09 -0.20 0.00 0.02 0.00 0.00 34.50 32.13 1rye s PRO 292 CO -0.21 -0.96 -0.04 0.00 -0.33 0.00 0.00 177.00 175.46 1rye n ALA 293 N -1.21 1.52 -2.64 -1.55 0.00 0.14 -1.74 120.51 115.03 1rye n ALA 293 Ca 0.11 -1.15 -0.11 0.00 0.00 0.00 0.00 53.44 52.30 1rye n ALA 293 Cb 0.49 -0.11 0.03 0.00 0.00 0.00 0.00 19.45 19.86 1rye n ALA 293 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1rye n THR 294 N -2.88 1.19 -1.92 0.00 -2.24 -1.26 -4.85 114.28 102.31 1rye n THR 294 Ca -0.35 -3.29 -0.30 0.00 -2.27 0.00 0.00 64.05 57.84 1rye n THR 294 Cb 1.04 0.44 0.21 0.00 -2.10 0.00 0.00 70.33 69.92 1rye n THR 294 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rye n GLY 295 N -0.14 -1.52 0.12 3.38 0.00 -1.26 -4.99 105.19 100.77 1rye n GLY 295 Ca 0.13 -1.71 0.12 0.00 0.00 0.00 0.00 46.02 44.56 1rye n GLY 295 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1rye h TYR 296 N -1.79 0.00 0.00 1.61 0.05 -2.01 -3.46 116.97 111.37 1rye h TYR 296 Ca -0.43 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.35 1rye h TYR 296 Cb 1.20 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.94 1rye h TYR 296 CO 0.00 0.00 0.00 0.66 -1.05 0.00 0.00 178.16 177.77 1rye n TYR 297 N -2.65 0.00 -4.02 4.88 4.01 -1.26 -4.98 117.16 113.14 1rye n TYR 297 Ca 0.01 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.42 1rye n TYR 297 Cb 0.53 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.42 1rye n TYR 297 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 1rye s GLN 298 N 0.00 2.28 0.18 -0.72 -0.44 -1.26 -4.76 119.66 114.94 1rye s GLN 298 Ca 0.00 -1.34 -0.22 0.00 -2.50 0.00 0.00 55.36 51.30 1rye s GLN 298 Cb 0.00 -2.99 -0.08 0.00 -1.64 0.00 0.00 33.01 28.30 1rye s GLN 298 CO 0.00 -0.60 0.74 -0.80 0.50 0.00 0.00 175.29 175.13 1rye s ASN 299 N 1.15 7.23 -0.06 6.67 0.01 -1.26 -4.64 114.94 124.03 1rye s ASN 299 Ca -0.07 1.52 0.05 0.00 -0.71 0.00 0.00 52.86 53.65 1rye s ASN 299 Cb -0.20 -2.45 -0.02 0.00 0.41 0.00 0.00 41.25 38.99 1rye s ASN 299 CO -0.04 0.14 -0.21 -0.76 -1.51 0.00 0.00 177.10 174.72 1rye s LEU 300 N -1.48 2.29 -0.03 0.60 1.43 -0.71 -4.90 118.68 115.88 1rye s LEU 300 Ca 0.38 -0.41 0.04 0.00 -1.03 0.00 0.00 54.13 53.10 1rye s LEU 300 Cb -0.20 -1.44 -0.00 0.00 0.03 0.00 0.00 46.19 44.58 1rye s LEU 300 CO 0.23 0.27 -0.14 0.27 0.23 0.00 0.00 176.35 177.22 1rye s ILE 301 N -0.30 1.15 0.10 -0.59 -4.36 -1.26 -0.31 121.20 115.62 1rye s ILE 301 Ca 0.01 -0.56 0.07 0.00 -0.26 0.00 0.00 60.65 59.91 1rye s ILE 301 Cb -0.13 -1.00 -0.03 0.00 1.25 0.00 0.00 42.46 42.55 1rye s ILE 301 CO 0.02 0.34 -0.18 -0.55 0.24 0.00 0.00 174.94 174.81 1rye s SER 302 N 0.09 2.23 -0.28 4.36 0.15 0.13 -0.70 113.70 119.69 1rye s SER 302 Ca -0.03 -0.69 0.01 0.00 0.70 0.00 0.00 55.95 55.94 1rye s SER 302 Cb -0.10 -0.11 0.08 0.00 -1.71 0.00 0.00 66.02 64.18 1rye s SER 302 CO 0.01 -0.01 0.01 -0.69 1.20 0.00 0.00 173.24 173.76 1rye s VAL 303 N -1.37 1.56 -0.38 4.45 1.01 -0.93 -0.39 120.40 124.34 1rye s VAL 303 Ca 0.05 -1.53 -0.23 0.00 0.00 0.00 0.00 61.98 60.26 1rye s VAL 303 Cb -0.09 -1.98 0.01 0.00 0.00 0.00 0.00 36.38 34.32 1rye s VAL 303 CO 0.04 -0.36 0.80 -1.10 0.00 0.00 0.00 175.10 174.48 1rye s GLN 304 N 1.33 3.72 -0.09 2.72 1.11 0.88 -3.19 119.66 126.14 1rye s GLN 304 Ca 0.02 0.29 0.02 0.00 0.01 0.00 0.00 55.36 55.70 1rye s GLN 304 Cb -0.19 -3.82 -0.02 0.00 -1.01 0.00 0.00 33.01 27.97 1rye s GLN 304 CO -0.11 -0.89 -0.16 -0.08 0.01 0.00 0.00 175.29 174.06 1rye s THR 305 N 3.17 2.84 0.12 -0.19 -1.32 -1.26 -0.79 115.64 118.22 1rye s THR 305 Ca 0.32 -0.77 -0.26 0.00 -1.21 0.00 0.00 61.69 59.77 1rye s THR 305 Cb -0.13 -2.14 -0.15 0.00 -1.51 0.00 0.00 72.50 68.57 1rye s THR 305 CO 0.18 0.56 0.56 -2.65 -2.21 0.00 0.00 174.62 171.06 1rye n PRO 306 N 2.99 0.00 0.00 7.08 -0.02 -1.26 -2.01 135.00 141.78 1rye n PRO 306 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 1rye n PRO 306 Cb 0.52 -0.96 0.00 0.00 -0.02 0.00 0.00 33.50 33.04 1rye n PRO 306 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rye n GLY 307 N 1.58 1.00 3.86 -1.23 0.00 -1.26 -4.89 105.19 104.24 1rye n GLY 307 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1rye n GLY 307 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rye s HIS 308 N 0.00 3.53 0.51 1.61 3.76 -0.85 -5.07 115.29 118.78 1rye s HIS 308 Ca 0.00 1.36 -0.09 0.00 -0.15 0.00 0.00 55.06 56.18 1rye s HIS 308 Cb 0.00 -2.76 0.12 0.00 1.11 0.00 0.00 32.58 31.05 1rye s HIS 308 CO 0.00 -0.63 0.56 0.00 -0.85 0.00 0.00 174.74 173.82 1rye n ALA 309 N -2.38 -1.14 -2.35 -1.40 0.00 -1.26 -4.36 120.51 107.62 1rye n ALA 309 Ca 0.06 -0.77 -0.42 0.00 0.00 0.00 0.00 53.44 52.31 1rye n ALA 309 Cb 0.54 -0.05 -0.02 0.00 0.00 0.00 0.00 19.45 19.92 1rye n ALA 309 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1rye s ASN 310 N -3.05 6.18 -0.60 0.00 2.47 -1.26 -4.23 114.94 114.45 1rye s ASN 310 Ca 0.34 0.57 -0.12 0.00 0.42 0.00 0.00 52.86 54.06 1rye s ASN 310 Cb -0.02 -2.54 0.15 0.00 -1.45 0.00 0.00 41.25 37.39 1rye s ASN 310 CO 0.25 -1.61 0.52 -1.10 -3.72 0.00 0.00 177.10 171.43 1rye s GLN 311 N 5.31 2.96 0.69 0.43 -0.21 -1.19 -4.99 119.66 122.67 1rye s GLN 311 Ca 0.58 -1.98 -0.16 0.00 0.02 0.00 0.00 55.36 53.81 1rye s GLN 311 Cb -0.12 -4.18 0.02 0.00 1.00 0.00 0.00 33.01 29.72 1rye s GLN 311 CO 0.29 -1.27 1.24 0.45 -2.12 0.00 0.00 175.29 173.88 1rye s SER 312 N 2.74 4.37 -0.25 5.90 0.15 -1.26 -2.19 113.70 123.16 1rye s SER 312 Ca 0.09 2.48 0.02 0.00 0.70 0.00 0.00 55.95 59.24 1rye s SER 312 Cb -0.23 -2.60 0.05 0.00 -1.71 0.00 0.00 66.02 61.53 1rye s SER 312 CO -0.02 -2.15 -0.11 -0.32 1.20 0.00 0.00 173.24 171.84 1rye s MET 313 N -3.66 2.25 0.12 5.44 1.75 0.13 -4.87 119.30 120.46 1rye s MET 313 Ca 0.78 -1.23 0.09 0.00 -1.25 0.00 0.00 55.69 54.08 1rye s MET 313 Cb -0.33 -2.80 -0.04 0.00 2.84 0.00 0.00 34.83 34.51 1rye s MET 313 CO 0.42 -0.52 -0.21 1.41 -0.65 0.00 0.00 175.02 175.47 1rye s MET 314 N 1.17 1.20 -0.24 4.11 1.75 -1.26 -4.37 119.30 121.65 1rye s MET 314 Ca -0.07 -1.24 -0.14 0.00 -1.25 0.00 0.00 55.69 52.99 1rye s MET 314 Cb -0.19 -1.46 0.07 0.00 2.84 0.00 0.00 34.83 36.09 1rye s MET 314 CO -0.06 0.33 0.59 1.41 -0.65 0.00 0.00 175.02 176.64 1rye s MET 319 N -2.11 0.60 1.00 4.11 1.75 -1.26 -5.15 119.30 118.25 1rye s MET 319 Ca 0.09 1.07 -0.16 0.00 -1.25 0.00 0.00 55.69 55.45 1rye s MET 319 Cb -0.09 0.09 0.20 0.00 2.84 0.00 0.00 34.83 37.87 1rye s MET 319 CO 0.05 -0.15 1.24 -2.14 -0.65 0.00 0.00 175.02 173.37 1rye s PRO 320 N 1.53 0.36 0.00 4.11 0.02 -1.26 -5.15 135.00 134.62 1rye s PRO 320 Ca -0.10 -0.20 0.00 0.00 0.02 0.00 0.00 61.00 60.72 1rye s PRO 320 Cb -0.06 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.66 1rye s PRO 320 CO -0.17 -2.63 0.10 0.00 -0.33 0.00 0.00 177.00 173.97 1rye n ALA 321 N -3.97 0.35 -3.52 -1.55 0.00 -1.26 -4.87 120.51 105.68 1rye n ALA 321 Ca 0.13 -0.10 -0.27 0.00 0.00 0.00 0.00 53.44 53.20 1rye n ALA 321 Cb 0.60 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.94 1rye n ALA 321 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1rye n ASN 322 N 0.00 0.94 -1.33 0.00 2.85 -1.26 -4.54 115.26 111.93 1rye n ASN 322 Ca 0.00 -2.74 -0.04 0.00 -0.11 0.00 0.00 54.58 51.70 1rye n ASN 322 Cb 0.34 -0.63 -0.00 0.00 1.24 0.00 0.00 39.78 40.72 1rye n ASN 322 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1rye n ASN 323 N 2.26 -0.79 -0.20 1.20 0.23 -1.26 -5.01 115.26 111.69 1rye n ASN 323 Ca 0.26 -1.53 -0.04 0.00 -0.53 0.00 0.00 54.58 52.75 1rye n ASN 323 Cb 0.44 0.29 0.06 0.00 -2.08 0.00 0.00 39.78 38.50 1rye n ASN 323 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 1rye h GLN 324 N 0.23 0.61 0.38 -3.83 3.07 -1.90 -1.42 115.11 112.25 1rye h GLN 324 Ca -0.36 -0.04 -0.01 0.00 0.09 0.00 0.00 58.65 58.32 1rye h GLN 324 Cb 1.15 -0.14 -0.00 0.00 0.08 0.00 0.00 27.48 28.57 1rye h GLN 324 CO -0.18 0.41 -0.22 0.74 0.09 0.00 0.00 178.83 179.67 1rye h PHE 325 N 0.63 -0.57 0.27 0.06 0.04 -1.91 0.12 116.94 115.58 1rye h PHE 325 Ca 0.25 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 61.01 1rye h PHE 325 Cb 0.10 0.20 -0.03 0.00 2.20 0.00 0.00 35.95 38.41 1rye h PHE 325 CO -0.08 -0.34 -0.46 0.77 -0.60 0.00 0.00 178.31 177.60 1rye h SER 326 N -0.56 -1.34 -1.06 2.17 0.02 -1.67 0.35 113.55 111.46 1rye h SER 326 Ca -0.04 0.13 0.28 0.00 -0.84 0.00 0.00 61.79 61.31 1rye h SER 326 Cb 0.45 0.47 -0.10 0.00 0.14 0.00 0.00 62.40 63.36 1rye h SER 326 CO 0.06 -0.55 0.67 0.00 -1.14 0.00 0.00 176.83 175.87 1rye h ALA 327 N -0.82 2.19 -0.24 3.77 0.00 -1.16 0.26 119.26 123.26 1rye h ALA 327 Ca -0.03 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1rye h ALA 327 Cb 0.73 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1rye h ALA 327 CO -0.16 -0.64 -0.24 0.37 0.00 0.00 0.00 179.25 178.58 1rye h GLN 328 N 0.39 0.59 -0.37 0.00 4.15 0.30 0.37 115.11 120.55 1rye h GLN 328 Ca 0.63 -0.31 -0.03 0.00 0.77 0.00 0.00 58.65 59.71 1rye h GLN 328 Cb 1.57 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 29.25 1rye h GLN 328 CO -0.35 0.91 0.12 -0.07 -1.93 0.00 0.00 178.83 177.50 1rye h LEU 329 N 0.30 0.53 -0.87 -2.39 3.38 0.15 -2.83 115.31 113.59 1rye h LEU 329 Ca 0.04 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.70 1rye h LEU 329 Cb 0.80 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1rye h LEU 329 CO 0.06 0.59 -0.54 0.44 0.09 0.00 0.00 178.44 179.07 1rye h ASP 330 N 0.45 0.00 -0.90 -0.43 5.19 -0.83 -2.90 116.42 116.99 1rye h ASP 330 Ca 0.12 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 56.56 1rye h ASP 330 Cb 0.24 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.70 1rye h ASP 330 CO -0.00 0.54 0.59 -0.74 -3.12 0.00 0.00 179.24 176.51 1rye h HIS 331 N 0.00 1.10 -0.03 4.55 2.76 -0.66 0.42 115.15 123.27 1rye h HIS 331 Ca -0.01 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.07 1rye h HIS 331 Cb 1.00 -0.37 -0.01 0.00 1.55 0.00 0.00 27.41 29.58 1rye h HIS 331 CO 0.00 0.64 -0.55 1.25 -1.30 0.00 0.00 177.93 177.97 1rye h LEU 332 N 1.14 0.11 0.41 0.26 5.85 -1.40 -1.80 115.31 119.88 1rye h LEU 332 Ca 0.36 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 59.00 1rye h LEU 332 Cb 0.00 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1rye h LEU 332 CO -0.10 0.64 -0.20 0.00 -0.34 0.00 0.00 178.44 178.44 1rye h ALA 333 N 1.36 -0.55 -0.38 1.25 0.00 -0.89 -3.07 119.26 116.97 1rye h ALA 333 Ca -0.00 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.79 1rye h ALA 333 Cb 1.00 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 1rye h ALA 333 CO 0.08 -0.62 0.02 0.93 0.00 0.00 0.00 179.25 179.66 1rye h GLU 334 N -0.93 0.13 -0.54 0.00 5.08 -0.25 0.61 114.58 118.69 1rye h GLU 334 Ca -0.06 -0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.40 1rye h GLU 334 Cb 0.56 -0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.67 1rye h GLU 334 CO 0.09 0.09 -0.14 0.00 -1.00 0.00 0.00 179.01 178.05 1rye h ALA 335 N 1.32 0.35 0.29 3.43 0.00 -1.38 1.02 119.26 124.28 1rye h ALA 335 Ca 0.19 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1rye h ALA 335 Cb 0.25 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1rye h ALA 335 CO -0.29 -0.44 -0.14 0.28 0.00 0.00 0.00 179.25 178.66 1rye h VAL 336 N -0.01 0.00 -1.70 0.00 2.07 -1.33 -2.40 116.25 112.87 1rye h VAL 336 Ca 0.26 -0.11 0.49 0.00 0.82 0.00 0.00 66.70 68.16 1rye h VAL 336 Cb 0.40 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.10 1rye h VAL 336 CO -0.56 0.00 1.23 0.40 0.02 0.00 0.00 177.57 178.66 1rye h ILE 337 N -0.50 0.15 -2.83 4.57 2.04 -0.51 -2.92 117.51 117.51 1rye h ILE 337 Ca -0.04 -0.00 -0.61 0.00 1.00 0.00 0.00 64.86 65.21 1rye h ILE 337 Cb 0.30 0.15 -0.40 0.00 -0.74 0.00 0.00 36.82 36.12 1rye h ILE 337 CO 0.06 0.00 -0.73 0.20 0.00 0.00 0.00 178.15 177.68 1rye s ASN 338 N -4.34 3.49 0.00 1.72 0.02 0.35 -5.03 114.94 111.16 1rye s ASN 338 Ca -0.05 -3.39 0.00 0.00 -1.02 0.00 0.00 52.86 48.40 1rye s ASN 338 Cb 0.26 -1.14 0.00 0.00 0.02 0.00 0.00 41.25 40.38 1rye s ASN 338 CO 0.87 -0.14 0.00 0.59 0.02 0.00 0.00 177.10 178.43 1rye n ASN 339 N 2.52 0.00 -3.71 -1.22 5.03 -1.10 -4.62 115.26 112.16 1rye n ASN 339 Ca 0.21 0.00 -0.11 0.00 0.87 0.00 0.00 54.58 55.55 1rye n ASN 339 Cb 0.39 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 39.09 1rye n ASN 339 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1rye s LYS 340 N 0.00 0.90 0.48 3.52 -0.14 -0.91 -5.08 119.74 118.51 1rye s LYS 340 Ca 0.00 -0.54 -0.06 0.00 -1.36 0.00 0.00 55.97 54.01 1rye s LYS 340 Cb 0.00 0.39 -0.04 0.00 -1.68 0.00 0.00 37.83 36.50 1rye s LYS 340 CO 0.00 -0.31 0.80 -1.25 -0.76 0.00 0.00 175.35 173.83 1rye s PRO 341 N -2.89 3.57 0.32 -1.68 0.04 -1.26 -4.48 135.00 128.61 1rye s PRO 341 Ca -0.03 0.26 -0.19 0.00 0.04 0.00 0.00 61.00 61.08 1rye s PRO 341 Cb 0.00 -2.36 -0.09 0.00 0.04 0.00 0.00 34.50 32.09 1rye s PRO 341 CO -0.05 -0.21 0.81 0.54 0.04 0.00 0.00 177.00 178.13 1rye s VAL 342 N -2.74 4.51 -0.83 -0.36 0.11 -1.26 -4.90 120.40 114.94 1rye s VAL 342 Ca 0.48 1.29 0.23 0.00 -2.93 0.00 0.00 61.98 61.05 1rye s VAL 342 Cb -0.10 -3.73 0.21 0.00 -1.53 0.00 0.00 36.38 31.23 1rye s VAL 342 CO 0.44 -0.06 1.71 0.54 -3.33 0.00 0.00 175.10 174.40 1rye n ARG 343 N 0.00 0.10 -3.11 1.54 1.74 -1.26 -3.75 116.66 111.92 1rye n ARG 343 Ca 0.03 0.22 -0.23 0.00 -0.77 0.00 0.00 57.85 57.09 1rye n ARG 343 Cb 0.52 -1.65 -0.04 0.00 -1.02 0.00 0.00 32.46 30.27 1rye n ARG 343 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1rye n SER 344 N -1.82 2.69 -4.45 0.55 7.64 -1.26 -5.02 113.62 111.94 1rye n SER 344 Ca 0.04 -3.32 -0.28 0.00 1.01 0.00 0.00 58.87 56.32 1rye n SER 344 Cb 0.28 -0.60 0.25 0.00 -1.01 0.00 0.00 64.21 63.13 1rye n SER 344 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1rye s PRO 345 N -2.78 -1.00 0.50 1.43 0.04 -1.25 -0.59 135.00 131.35 1rye s PRO 345 Ca 0.43 0.72 0.16 0.00 0.04 0.00 0.00 61.00 62.35 1rye s PRO 345 Cb 0.28 -1.55 1.21 0.00 0.04 0.00 0.00 34.50 34.48 1rye s PRO 345 CO -0.10 -3.75 2.10 0.78 0.04 0.00 0.00 177.00 176.07 1rye h GLY 346 N -2.63 0.00 0.81 0.56 0.00 -1.92 -2.59 103.07 97.29 1rye h GLY 346 Ca -0.61 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.74 1rye h GLY 346 CO 0.51 0.00 -0.06 0.83 0.00 0.00 0.00 176.54 177.82 1rye h GLU 347 N 0.00 -0.09 -0.17 4.80 3.07 -1.91 -1.45 114.58 118.83 1rye h GLU 347 Ca -0.00 0.01 0.02 0.00 -0.50 0.00 0.00 59.36 58.88 1rye h GLU 347 Cb 0.12 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 1rye h GLU 347 CO 0.01 -0.06 0.11 1.49 -1.40 0.00 0.00 179.01 179.16 1rye h GLU 348 N -0.09 0.16 0.03 2.33 4.57 -1.80 -1.82 114.58 117.96 1rye h GLU 348 Ca 0.04 -0.01 -0.24 0.00 -1.18 0.00 0.00 59.36 57.96 1rye h GLU 348 Cb 0.14 -0.04 0.01 0.00 -0.16 0.00 0.00 28.75 28.70 1rye h GLU 348 CO -0.08 0.10 -1.03 0.78 -1.18 0.00 0.00 179.01 177.60 1rye h GLY 349 N 0.16 0.49 0.97 1.92 0.00 -1.37 -3.21 103.07 102.04 1rye h GLY 349 Ca 0.07 -0.93 -0.01 0.00 0.00 0.00 0.00 47.33 46.46 1rye h GLY 349 CO -0.01 0.82 0.23 1.98 0.00 0.00 0.00 176.54 179.55 1rye h MET 350 N 0.23 0.57 -1.00 4.80 1.85 -0.49 -2.59 114.93 118.29 1rye h MET 350 Ca -0.10 -0.06 0.16 0.00 -0.61 0.00 0.00 59.70 59.08 1rye h MET 350 Cb 1.68 -0.11 -0.10 0.00 0.43 0.00 0.00 31.60 33.51 1rye h MET 350 CO 0.18 0.45 0.62 0.37 -0.40 0.00 0.00 176.91 178.13 1rye h GLN 351 N 0.53 0.85 -0.28 0.39 5.75 -1.40 0.17 115.11 121.11 1rye h GLN 351 Ca 0.14 -0.05 -0.13 0.00 -0.15 0.00 0.00 58.65 58.46 1rye h GLN 351 Cb 0.05 -0.19 -0.00 0.00 1.07 0.00 0.00 27.48 28.40 1rye h GLN 351 CO -0.02 0.56 -0.34 -0.44 -2.65 0.00 0.00 178.83 175.94 1rye h ASP 352 N 0.88 0.79 0.06 -0.69 3.32 -1.48 -1.27 116.42 118.03 1rye h ASP 352 Ca 0.54 -0.49 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 1rye h ASP 352 Cb 0.69 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1rye h ASP 352 CO -0.33 1.13 -0.21 0.58 -1.72 0.00 0.00 179.24 178.68 1rye h VAL 353 N 0.48 1.23 -0.09 -1.35 2.07 -0.96 0.25 116.25 117.87 1rye h VAL 353 Ca 0.04 -1.05 -0.03 0.00 0.82 0.00 0.00 66.70 66.47 1rye h VAL 353 Cb 0.93 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1rye h VAL 353 CO 0.08 0.32 -0.08 -0.09 0.02 0.00 0.00 177.57 177.83 1rye h ARG 354 N 0.26 0.21 -0.77 1.57 2.43 -0.62 -1.84 114.38 115.62 1rye h ARG 354 Ca 0.04 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1rye h ARG 354 Cb 0.53 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.04 1rye h ARG 354 CO 0.04 0.63 0.45 -0.07 -1.51 0.00 0.00 179.97 179.50 1rye h LEU 355 N -0.20 0.95 -1.25 3.80 3.38 -0.90 0.07 115.31 121.17 1rye h LEU 355 Ca 0.02 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1rye h LEU 355 Cb 0.58 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1rye h LEU 355 CO 0.02 0.76 0.18 0.40 0.09 0.00 0.00 178.44 179.89 1rye h ILE 356 N 1.07 1.19 -0.17 1.22 2.04 -0.46 0.69 117.51 123.08 1rye h ILE 356 Ca 0.28 -0.59 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 1rye h ILE 356 Cb -0.00 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1rye h ILE 356 CO -0.05 0.23 -0.04 -0.61 0.00 0.00 0.00 178.15 177.68 1rye h GLN 357 N 0.69 0.33 -0.33 2.37 4.15 -0.72 0.10 115.11 121.70 1rye h GLN 357 Ca 0.17 -0.13 0.06 0.00 0.77 0.00 0.00 58.65 59.52 1rye h GLN 357 Cb 0.16 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.78 1rye h GLN 357 CO -0.01 0.60 0.01 0.00 -1.93 0.00 0.00 178.83 177.49 1rye h ALA 358 N 0.72 0.31 -0.77 3.38 0.00 0.21 -0.38 119.26 122.72 1rye h ALA 358 Ca 0.04 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1rye h ALA 358 Cb 0.48 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1rye h ALA 358 CO 0.02 -0.39 0.51 0.82 0.00 0.00 0.00 179.25 180.21 1rye h ILE 359 N 0.11 1.20 -0.43 0.00 2.04 0.60 0.48 117.51 121.51 1rye h ILE 359 Ca 0.16 -0.36 -0.06 0.00 1.00 0.00 0.00 64.86 65.60 1rye h ILE 359 Cb 0.21 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 1rye h ILE 359 CO -0.26 0.19 0.00 1.88 0.00 0.00 0.00 178.15 179.96 1rye h TYR 360 N 1.05 0.73 -0.07 1.37 0.05 -0.12 -1.02 116.97 118.95 1rye h TYR 360 Ca 0.28 -0.09 -0.16 0.00 0.05 0.00 0.00 58.73 58.81 1rye h TYR 360 Cb -0.12 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.40 1rye h TYR 360 CO -0.02 0.69 -0.65 0.93 -1.05 0.00 0.00 178.16 178.06 1rye h GLU 361 N 0.65 0.30 -0.05 4.88 4.39 -0.54 -1.57 114.58 122.64 1rye h GLU 361 Ca 0.13 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 1rye h GLU 361 Cb 0.40 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1rye h GLU 361 CO 0.02 0.84 0.03 0.00 -1.16 0.00 0.00 179.01 178.73 1rye h ALA 362 N 1.10 0.06 -0.17 3.43 0.00 -0.42 0.15 119.26 123.41 1rye h ALA 362 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1rye h ALA 362 Cb 1.18 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1rye h ALA 362 CO 0.10 -0.40 0.04 0.00 0.00 0.00 0.00 179.25 178.99 1rye h ALA 363 N 0.94 1.75 0.16 0.00 0.00 -1.06 0.62 119.26 121.67 1rye h ALA 363 Ca 0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1rye h ALA 363 Cb 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1rye h ALA 363 CO -0.00 0.20 -0.08 -0.09 0.00 0.00 0.00 179.25 179.28 1rye h ARG 364 N 0.24 -0.21 -0.58 0.00 2.43 -0.72 -3.36 114.38 112.18 1rye h ARG 364 Ca 0.06 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1rye h ARG 364 Cb 0.10 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 1rye h ARG 364 CO -0.00 -0.14 0.24 1.79 -1.51 0.00 0.00 179.97 180.35 1rye h THR 365 N -1.02 1.22 0.00 0.20 1.35 -0.71 -3.46 112.91 110.49 1rye h THR 365 Ca -0.02 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 1rye h THR 365 Cb 0.17 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 67.18 1rye h THR 365 CO 0.04 0.27 0.00 0.61 -0.25 0.00 0.00 175.52 176.18 1rye n GLY 366 N -0.84 0.83 3.68 5.82 0.00 0.21 -5.07 105.19 109.84 1rye n GLY 366 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 1rye n GLY 366 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rye s ARG 367 N -0.67 2.38 0.63 1.61 0.52 -1.20 -5.00 118.95 117.22 1rye s ARG 367 Ca 0.00 -1.41 -0.16 0.00 -0.52 0.00 0.00 55.73 53.64 1rye s ARG 367 Cb 0.00 -2.20 -0.01 0.00 0.52 0.00 0.00 34.95 33.25 1rye s ARG 367 CO 0.00 0.31 1.11 -2.14 0.02 0.00 0.00 175.30 174.60 1rye s PRO 368 N -3.73 2.92 -0.14 3.54 0.02 -1.26 -4.51 135.00 131.83 1rye s PRO 368 Ca 0.33 1.43 -0.00 0.00 0.02 0.00 0.00 61.00 62.77 1rye s PRO 368 Cb -0.06 -1.96 0.03 0.00 0.02 0.00 0.00 34.50 32.53 1rye s PRO 368 CO 0.21 -1.16 -0.09 0.08 -0.33 0.00 0.00 177.00 175.71 1rye s VAL 369 N -2.23 1.24 0.15 3.83 1.01 0.35 -4.94 120.40 119.80 1rye s VAL 369 Ca 0.68 -0.52 -0.31 0.00 0.00 0.00 0.00 61.98 61.83 1rye s VAL 369 Cb -0.21 -1.27 -0.09 0.00 0.00 0.00 0.00 36.38 34.81 1rye s VAL 369 CO 0.39 0.32 1.46 0.21 0.00 0.00 0.00 175.10 177.47 1rye s ASN 370 N 1.61 6.72 0.00 3.32 3.84 -1.26 -0.97 114.94 128.20 1rye s ASN 370 Ca 0.03 2.47 0.00 0.00 0.21 0.00 0.00 52.86 55.57 1rye s ASN 370 Cb -0.14 -2.59 0.00 0.00 -0.55 0.00 0.00 41.25 37.97 1rye s ASN 370 CO -0.09 -0.72 0.84 0.35 -2.79 0.00 0.00 177.10 174.70 1rye n THR 371 N 3.77 0.71 -1.23 -5.21 -2.24 0.86 -4.90 114.28 106.04 1rye n THR 371 Ca 0.12 -0.75 -0.42 0.00 -2.27 0.00 0.00 64.05 60.74 1rye n THR 371 Cb 0.41 0.67 -0.06 0.00 -2.10 0.00 0.00 70.33 69.24 1rye n THR 371 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1rye n ASP 372 N -0.35 2.50 -0.94 3.42 2.03 -1.03 -4.50 116.55 117.67 1rye n ASP 372 Ca 0.00 -2.67 0.08 0.00 0.52 0.00 0.00 54.79 52.72 1rye n ASP 372 Cb 0.28 -1.16 0.23 0.00 -0.72 0.00 0.00 41.12 39.75 1rye n ASP 372 CO 0.00 0.00 0.00 -2.67 -1.92 0.00 0.00 177.20 172.61 1rye n TRP 373 N 8.40 0.72 -1.66 -0.67 2.14 -1.26 -5.00 117.44 120.11 1rye n TRP 373 Ca 0.49 -0.52 -0.02 0.00 2.07 0.00 0.00 57.50 59.52 1rye n TRP 373 Cb 0.41 -0.04 -0.00 0.00 -0.81 0.00 0.00 31.31 30.87 1rye n TRP 373 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1rye n GLY 374 N 0.88 0.38 3.63 -1.67 0.00 -1.26 -5.01 105.19 102.15 1rye n GLY 374 Ca 0.17 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 1rye n GLY 374 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1rye s TYR 375 N -2.07 2.71 0.14 1.61 5.04 -1.26 -5.00 117.35 118.52 1rye s TYR 375 Ca 0.00 0.89 -0.06 0.00 -2.44 0.00 0.00 57.07 55.46 1rye s TYR 375 Cb 0.00 -3.90 -0.06 0.00 0.35 0.00 0.00 41.96 38.35 1rye s TYR 375 CO 0.00 -1.65 0.39 0.08 -1.34 0.00 0.00 175.55 173.03 1rye s VAL 376 N 4.34 5.14 -1.05 3.14 1.01 -1.26 -4.92 120.40 126.79 1rye s VAL 376 Ca 0.55 0.12 -0.19 0.00 0.00 0.00 0.00 61.98 62.47 1rye s VAL 376 Cb -0.16 -3.62 0.11 0.00 0.00 0.00 0.00 36.38 32.70 1rye s VAL 376 CO 0.23 0.06 1.35 -0.60 0.00 0.00 0.00 175.10 176.14 1rye s ARG 377 N -2.57 3.74 -0.79 2.72 6.06 -1.26 -4.94 118.95 121.91 1rye s ARG 377 Ca 0.40 -1.77 -0.23 0.00 -2.50 0.00 0.00 55.73 51.63 1rye s ARG 377 Cb -0.12 -5.14 -0.18 0.00 0.06 0.00 0.00 34.95 29.57 1rye s ARG 377 CO 0.23 -1.95 2.41 0.94 -2.50 0.00 0.00 175.30 174.43 1rye n GLN 378 N 7.25 0.47 0.00 5.12 -0.06 -1.26 -1.75 117.38 127.15 1rye n GLN 378 Ca 0.32 -0.30 0.00 0.00 -2.00 0.00 0.00 57.00 55.02 1rye n GLN 378 Cb 0.48 -2.68 0.00 0.00 -4.06 0.00 0.00 30.24 23.98 1rye n GLN 378 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1rye n GLY 379 N 6.26 2.56 0.00 1.69 0.00 -1.26 -5.01 105.19 109.43 1rye n GLY 379 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1rye n GLY 379 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rye n GLY 380 N -0.67 2.73 0.23 -0.02 0.00 -0.72 -5.14 105.19 101.61 1rye n GLY 380 Ca 0.00 -1.83 0.15 0.00 0.00 0.00 0.00 46.02 44.34 1rye n GLY 380 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60