#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rye n ARG 31 N 0.00 0.38 -3.85 5.56 1.74 -1.26 -4.78 116.66 114.45 1rye n ARG 31 Ca 0.00 -0.13 -0.36 0.00 -0.77 0.00 0.00 57.85 56.59 1rye n ARG 31 Cb 0.00 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 29.81 1rye n ARG 31 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1rye s PHE 32 N -2.71 3.07 0.16 -1.55 5.36 -1.13 -4.93 117.98 116.25 1rye s PHE 32 Ca 0.22 -1.06 -0.01 0.00 -0.96 0.00 0.00 56.93 55.11 1rye s PHE 32 Cb 0.19 -2.16 -0.04 0.00 -0.34 0.00 0.00 43.02 40.67 1rye s PHE 32 CO 0.53 -0.59 0.35 0.20 -1.46 0.00 0.00 175.22 174.26 1rye s GLY 33 N 1.46 1.96 0.03 13.12 0.00 -1.24 -2.39 107.32 120.27 1rye s GLY 33 Ca 0.03 -0.77 0.06 0.00 0.00 0.00 0.00 44.72 44.04 1rye s GLY 33 CO -0.01 -0.73 -0.19 -0.19 0.00 0.00 0.00 173.10 171.99 1rye s TYR 34 N -1.75 1.65 -0.29 1.90 2.02 0.07 -2.56 117.35 118.39 1rye s TYR 34 Ca 0.38 -0.36 0.00 0.00 -0.37 0.00 0.00 57.07 56.73 1rye s TYR 34 Cb -0.12 -1.00 0.06 0.00 -0.40 0.00 0.00 41.96 40.50 1rye s TYR 34 CO 0.28 0.06 -0.03 0.00 -1.57 0.00 0.00 175.55 174.28 1rye s ALA 35 N -0.74 2.74 -0.22 3.71 0.00 -0.82 -0.69 121.76 125.74 1rye s ALA 35 Ca 0.06 -1.84 -0.19 0.00 0.00 0.00 0.00 51.96 49.99 1rye s ALA 35 Cb -0.08 -1.82 -0.03 0.00 0.00 0.00 0.00 23.12 21.19 1rye s ALA 35 CO 0.01 -1.29 0.56 0.42 0.00 0.00 0.00 175.76 175.46 1rye s ILE 36 N 1.17 5.06 -0.15 0.00 1.09 -0.68 -0.68 121.20 127.00 1rye s ILE 36 Ca -0.05 1.02 -0.07 0.00 -1.10 0.00 0.00 60.65 60.45 1rye s ILE 36 Cb -0.20 -3.88 -0.04 0.00 -1.06 0.00 0.00 42.46 37.29 1rye s ILE 36 CO -0.03 0.13 0.07 -0.69 -0.10 0.00 0.00 174.94 174.32 1rye s VAL 37 N 1.93 4.89 0.01 2.92 1.01 -0.77 -0.68 120.40 129.71 1rye s VAL 37 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1rye s VAL 37 Cb -0.16 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1rye s VAL 37 CO 0.10 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.32 1rye n GLY 38 N 2.99 -3.36 3.34 4.51 0.00 -0.67 -1.99 105.19 110.00 1rye n GLY 38 Ca -0.18 -0.56 -0.45 0.00 0.00 0.00 0.00 46.02 44.84 1rye n GLY 38 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rye s LEU 39 N -0.07 6.36 0.00 0.99 1.43 -1.26 -4.72 118.68 121.40 1rye s LEU 39 Ca 0.00 -3.47 0.00 0.00 -1.03 0.00 0.00 54.13 49.63 1rye s LEU 39 Cb 0.00 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 44.00 1rye s LEU 39 CO 0.00 -0.34 0.00 0.61 0.23 0.00 0.00 176.35 176.85 1rye n GLY 40 N 2.89 5.13 0.19 -3.19 0.00 -1.26 -4.88 105.19 104.06 1rye n GLY 40 Ca 0.23 -2.13 -0.06 0.00 0.00 0.00 0.00 46.02 44.05 1rye n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rye h LYS 41 N 0.00 -0.31 -0.81 1.61 1.57 -1.95 0.35 116.57 117.02 1rye h LYS 41 Ca 0.00 0.02 0.13 0.00 -1.87 0.00 0.00 60.65 58.93 1rye h LYS 41 Cb 0.00 0.07 -0.09 0.00 0.08 0.00 0.00 32.23 32.30 1rye h LYS 41 CO 0.00 -0.21 0.42 -0.92 -0.57 0.00 0.00 179.45 178.17 1rye h TYR 42 N -0.32 0.74 0.16 -1.35 3.20 -1.95 0.92 116.97 118.37 1rye h TYR 42 Ca -0.01 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 1rye h TYR 42 Cb 0.30 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 1rye h TYR 42 CO -0.27 0.22 -0.27 0.00 -1.64 0.00 0.00 178.16 176.19 1rye h ALA 43 N 1.51 -0.88 0.06 1.82 0.00 -1.75 0.50 119.26 120.54 1rye h ALA 43 Ca 0.43 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 1rye h ALA 43 Cb 0.54 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1rye h ALA 43 CO -0.32 -0.92 -0.03 -0.07 0.00 0.00 0.00 179.25 177.91 1rye h LEU 44 N -0.46 -0.07 -1.16 0.00 3.38 0.07 0.13 115.31 117.20 1rye h LEU 44 Ca -0.02 -0.40 0.11 0.00 0.09 0.00 0.00 57.88 57.66 1rye h LEU 44 Cb 0.43 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.13 1rye h LEU 44 CO -0.09 0.59 0.59 0.78 0.09 0.00 0.00 178.44 180.40 1rye h ASN 45 N -0.97 0.83 0.00 -0.43 2.35 0.73 -3.36 115.58 114.72 1rye h ASN 45 Ca -0.01 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1rye h ASN 45 Cb 0.46 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1rye h ASN 45 CO 0.01 0.47 -0.73 0.00 -1.65 0.00 0.00 177.43 175.54 1rye n GLN 46 N -4.55 1.65 0.06 0.81 0.00 -0.82 -4.78 117.38 109.74 1rye n GLN 46 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 57.00 57.07 1rye n GLN 46 Cb 0.33 -0.87 -0.06 0.00 0.00 0.00 0.00 30.24 29.64 1rye n GLN 46 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 1rye h ILE 47 N 0.00 0.61 -0.22 -0.39 1.08 0.33 -2.49 117.51 116.42 1rye h ILE 47 Ca 0.00 -1.09 0.02 0.00 -0.39 0.00 0.00 64.86 63.40 1rye h ILE 47 Cb 0.73 1.05 -0.02 0.00 -3.07 0.00 0.00 36.82 35.51 1rye h ILE 47 CO 0.00 0.17 0.08 -0.07 -0.69 0.00 0.00 178.15 177.64 1rye h LEU 48 N -0.96 0.10 -2.16 1.44 4.07 -0.92 -0.64 115.31 116.25 1rye h LEU 48 Ca -0.02 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 1rye h LEU 48 Cb 0.46 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.20 1rye h LEU 48 CO 0.04 0.09 -0.07 -0.65 -1.08 0.00 0.00 178.44 176.77 1rye h PRO 49 N 0.19 0.00 0.00 1.13 0.11 -1.72 -0.75 132.00 130.96 1rye h PRO 49 Ca 0.09 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.16 1rye h PRO 49 Cb 0.05 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 1rye h PRO 49 CO -0.09 0.07 -0.20 0.78 -0.21 0.00 0.00 178.00 178.35 1rye h GLY 50 N 0.57 0.00 2.00 -0.55 0.00 -0.64 -2.46 103.07 101.98 1rye h GLY 50 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1rye h GLY 50 CO 0.01 0.00 -0.31 0.74 0.00 0.00 0.00 176.54 176.98 1rye h PHE 51 N 0.00 0.00 0.00 5.60 0.04 -0.68 -2.78 116.94 119.11 1rye h PHE 51 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1rye h PHE 51 Cb 0.62 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.77 1rye h PHE 51 CO 0.00 0.31 0.05 0.00 -0.60 0.00 0.00 178.31 178.07 1rye n ALA 52 N -2.42 0.98 -0.10 2.45 0.00 -0.93 -0.23 120.51 120.26 1rye n ALA 52 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1rye n ALA 52 Cb 0.37 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.02 1rye n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rye n GLY 53 N -1.17 -1.09 3.77 0.00 0.00 -1.05 -5.06 105.19 100.59 1rye n GLY 53 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 0.59 0.97 0.00 0.00 7.27 -1.26 -4.61 117.38 120.34 1rye n GLN 55 Ca 0.02 -0.10 0.00 0.00 0.07 0.00 0.00 57.00 56.99 1rye n GLN 55 Cb 0.46 -1.33 0.00 0.00 2.41 0.00 0.00 30.24 31.78 1rye n GLN 55 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1rye n HIS 56 N -1.82 0.00 -4.33 3.69 8.25 -1.26 -3.69 115.22 116.06 1rye n HIS 56 Ca -0.01 -0.13 -0.17 0.00 -0.26 0.00 0.00 57.72 57.15 1rye n HIS 56 Cb 0.35 -0.01 -0.10 0.00 1.12 0.00 0.00 29.99 31.35 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 -0.26 2.16 -0.07 0.41 0.01 -1.26 -2.84 113.70 111.85 1rye s SER 57 Ca 0.00 -1.11 -0.24 0.00 1.31 0.00 0.00 55.95 55.92 1rye s SER 57 Cb 0.00 -0.06 0.05 0.00 0.21 0.00 0.00 66.02 66.22 1rye s SER 57 CO 0.00 -0.35 0.54 0.00 0.41 0.00 0.00 173.24 173.84 1rye s ARG 58 N -3.75 0.85 -0.88 12.44 1.70 -1.00 -4.83 118.95 123.48 1rye s ARG 58 Ca 0.24 0.23 -0.20 0.00 -0.47 0.00 0.00 55.73 55.53 1rye s ARG 58 Cb 0.03 0.40 -0.13 0.00 -0.57 0.00 0.00 34.95 34.68 1rye s ARG 58 CO 0.06 -0.23 1.98 -0.89 -1.08 0.00 0.00 175.30 175.14 1rye n ILE 59 N 1.43 2.08 -0.22 4.99 5.41 -1.26 -0.75 119.36 131.04 1rye n ILE 59 Ca -0.19 -1.80 -0.09 0.00 1.00 0.00 0.00 62.75 61.67 1rye n ILE 59 Cb 0.56 -2.36 -0.05 0.00 -0.71 0.00 0.00 39.64 37.09 1rye n ILE 59 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1rye h GLU 60 N 7.56 -0.22 -3.79 0.38 4.57 -1.23 -3.45 114.58 118.40 1rye h GLU 60 Ca 0.45 0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.56 1rye h GLU 60 Cb 0.65 0.05 -0.10 0.00 -0.16 0.00 0.00 28.75 29.19 1rye h GLU 60 CO 1.94 -0.15 -0.20 0.00 -1.18 0.00 0.00 179.01 179.42 1rye s ALA 61 N -5.79 -0.05 0.34 2.92 0.00 -0.19 -4.70 121.76 114.29 1rye s ALA 61 Ca -0.14 -0.97 0.09 0.00 0.00 0.00 0.00 51.96 50.94 1rye s ALA 61 Cb 0.13 1.09 -0.05 0.00 0.00 0.00 0.00 23.12 24.28 1rye s ALA 61 CO 0.65 -0.80 0.08 -0.51 0.00 0.00 0.00 175.76 175.19 1rye s LEU 62 N -3.03 3.13 -0.12 0.00 1.43 -1.17 -1.69 118.68 117.22 1rye s LEU 62 Ca 0.24 -0.88 -0.04 0.00 -1.03 0.00 0.00 54.13 52.41 1rye s LEU 62 Cb 0.01 -1.55 0.06 0.00 0.03 0.00 0.00 46.19 44.74 1rye s LEU 62 CO 0.08 -0.28 0.23 -0.69 0.23 0.00 0.00 176.35 175.92 1rye s VAL 63 N -2.47 -0.37 0.20 -1.59 1.01 0.14 -2.72 120.40 114.59 1rye s VAL 63 Ca 0.36 0.29 -0.15 0.00 0.00 0.00 0.00 61.98 62.48 1rye s VAL 63 Cb -0.01 -0.41 0.01 0.00 0.00 0.00 0.00 36.38 35.97 1rye s VAL 63 CO 0.21 0.11 0.47 -0.55 0.00 0.00 0.00 175.10 175.35 1rye s SER 64 N 2.38 -0.16 -0.19 3.32 0.15 -1.13 -1.67 113.70 116.41 1rye s SER 64 Ca 0.02 -0.66 0.16 0.00 0.70 0.00 0.00 55.95 56.18 1rye s SER 64 Cb -0.12 0.56 0.52 0.00 -1.71 0.00 0.00 66.02 65.26 1rye s SER 64 CO -0.08 -1.05 1.41 0.61 1.20 0.00 0.00 173.24 175.33 1rye n GLY 65 N -0.33 4.15 2.50 9.45 0.00 -1.26 -3.96 105.19 115.75 1rye n GLY 65 Ca -0.07 -1.06 -0.18 0.00 0.00 0.00 0.00 46.02 44.70 1rye n GLY 65 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rye n ASN 66 N -0.61 -1.51 -0.32 1.61 2.85 -1.26 -5.01 115.26 111.02 1rye n ASN 66 Ca 0.22 -2.66 0.18 0.00 -0.11 0.00 0.00 54.58 52.21 1rye n ASN 66 Cb 0.89 0.33 0.38 0.00 1.24 0.00 0.00 39.78 42.63 1rye n ASN 66 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1rye h ALA 67 N 5.08 1.66 -0.99 5.20 0.00 -1.94 0.15 119.26 128.42 1rye h ALA 67 Ca 0.14 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1rye h ALA 67 Cb 0.98 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1rye h ALA 67 CO 0.27 -0.43 0.00 -1.91 0.00 0.00 0.00 179.25 177.18 1rye n GLU 68 N -5.05 0.00 -0.22 0.00 2.13 -1.26 0.89 120.64 117.12 1rye n GLU 68 Ca 0.26 0.65 0.01 0.00 0.66 0.00 0.00 57.16 58.75 1rye n GLU 68 Cb 0.79 -1.33 0.10 0.00 0.27 0.00 0.00 31.44 31.27 1rye n GLU 68 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1rye h LYS 69 N 0.00 0.06 -0.71 5.31 3.64 -1.80 0.18 116.57 123.25 1rye h LYS 69 Ca 0.00 -0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.53 1rye h LYS 69 Cb 0.00 -0.01 -0.13 0.00 -0.41 0.00 0.00 32.23 31.68 1rye h LYS 69 CO 0.00 0.04 -0.05 0.00 -2.27 0.00 0.00 179.45 177.17 1rye h ALA 70 N 1.63 0.65 0.28 5.00 0.00 0.14 0.14 119.26 127.09 1rye h ALA 70 Ca 0.34 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.48 1rye h ALA 70 Cb 0.55 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1rye h ALA 70 CO -0.61 -0.42 -0.25 -0.22 0.00 0.00 0.00 179.25 177.75 1rye h LYS 71 N 0.07 -0.50 -0.98 0.00 1.63 0.35 1.41 116.57 118.56 1rye h LYS 71 Ca 0.37 0.03 0.26 0.00 -0.85 0.00 0.00 60.65 60.47 1rye h LYS 71 Cb 0.62 0.11 -0.18 0.00 -0.60 0.00 0.00 32.23 32.18 1rye h LYS 71 CO -0.65 -0.33 -0.00 -0.89 -3.45 0.00 0.00 179.45 174.12 1rye n ILE 72 N -3.87 -0.41 0.15 2.00 5.41 -0.58 0.16 119.36 122.22 1rye n ILE 72 Ca -0.06 2.16 -0.07 0.00 1.00 0.00 0.00 62.75 65.78 1rye n ILE 72 Cb 0.23 -3.14 -0.03 0.00 -0.71 0.00 0.00 39.64 35.99 1rye n ILE 72 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1rye h VAL 73 N 0.00 0.00 -1.20 1.39 2.07 -0.27 -2.78 116.25 115.45 1rye h VAL 73 Ca 0.58 -0.51 0.36 0.00 0.82 0.00 0.00 66.70 67.95 1rye h VAL 73 Cb 1.18 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.84 1rye h VAL 73 CO -0.93 0.00 0.79 0.00 0.02 0.00 0.00 177.57 177.45 1rye h ALA 74 N -1.29 2.58 0.05 1.67 0.00 0.32 -0.98 119.26 121.60 1rye h ALA 74 Ca -0.04 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1rye h ALA 74 Cb 0.33 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1rye h ALA 74 CO 0.07 -1.09 -0.02 0.00 0.00 0.00 0.00 179.25 178.21 1rye h ALA 75 N 1.58 -1.01 -0.76 0.00 0.00 0.15 0.72 119.26 119.93 1rye h ALA 75 Ca 0.70 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.67 1rye h ALA 75 Cb 2.12 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 19.83 1rye h ALA 75 CO -0.32 -1.00 -0.55 0.93 0.00 0.00 0.00 179.25 178.30 1rye h GLU 76 N -0.06 -0.12 0.00 0.00 5.08 -0.90 0.19 114.58 118.76 1rye h GLU 76 Ca -0.01 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1rye h GLU 76 Cb 0.05 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1rye h GLU 76 CO 0.01 -0.08 0.00 0.66 -1.00 0.00 0.00 179.01 178.60 1rye n TYR 77 N -5.17 0.00 -2.32 4.33 4.01 -1.00 -4.89 117.16 112.12 1rye n TYR 77 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.72 1rye n TYR 77 Cb 0.27 -0.05 0.01 0.00 -0.31 0.00 0.00 39.34 39.27 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 0.01 -0.58 3.27 2.72 0.00 0.66 -5.00 105.19 106.26 1rye n GLY 78 Ca 0.11 0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.06 2.28 -0.23 1.61 1.01 0.25 -5.02 120.40 117.24 1rye s VAL 79 Ca 0.07 -0.95 -0.29 0.00 0.00 0.00 0.00 61.98 60.81 1rye s VAL 79 Cb -0.01 -1.88 -0.06 0.00 0.00 0.00 0.00 36.38 34.44 1rye s VAL 79 CO 0.38 0.56 2.22 -0.67 0.00 0.00 0.00 175.10 177.59 1rye n ASP 80 N 3.32 3.16 0.00 3.32 -0.08 -1.26 -4.58 116.55 120.44 1rye n ASP 80 Ca -0.18 0.22 0.00 0.00 -1.51 0.00 0.00 54.79 53.31 1rye n ASP 80 Cb 0.53 -1.53 0.00 0.00 2.34 0.00 0.00 41.12 42.45 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 8.71 0.00 -0.01 -0.67 -0.04 -1.26 -0.16 135.00 141.57 1rye n PRO 81 Ca 0.31 0.11 0.13 0.00 -0.04 0.00 0.00 63.50 64.00 1rye n PRO 81 Cb 0.43 -1.52 0.67 0.00 -0.04 0.00 0.00 33.50 33.04 1rye n PRO 81 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1rye n ARG 82 N -1.06 1.20 -0.88 0.54 0.63 -1.26 -3.31 116.66 112.53 1rye n ARG 82 Ca 0.00 -0.30 0.05 0.00 -0.92 0.00 0.00 57.85 56.68 1rye n ARG 82 Cb 0.02 -1.41 0.09 0.00 0.45 0.00 0.00 32.46 31.61 1rye n ARG 82 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1rye n LYS 83 N -0.56 0.65 -2.58 -0.14 5.02 0.78 -4.93 118.16 116.40 1rye n LYS 83 Ca 0.19 -2.30 -0.43 0.00 -2.02 0.00 0.00 58.31 53.75 1rye n LYS 83 Cb 0.16 -0.77 0.01 0.00 -0.02 0.00 0.00 35.03 34.41 1rye n LYS 83 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1rye n ILE 84 N -0.32 4.71 -0.34 -0.18 5.41 -1.21 -3.05 119.36 124.38 1rye n ILE 84 Ca 0.10 -4.96 -0.12 0.00 1.00 0.00 0.00 62.75 58.77 1rye n ILE 84 Cb 0.87 -2.25 0.11 0.00 -0.71 0.00 0.00 39.64 37.66 1rye n ILE 84 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1rye n TYR 85 N 2.93 -2.97 -3.51 1.39 4.02 -1.10 -4.86 117.16 113.06 1rye n TYR 85 Ca 0.35 -0.35 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1rye n TYR 85 Cb 0.35 -0.48 0.00 0.00 -0.02 0.00 0.00 39.34 39.19 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 -3.97 0.00 -2.36 7.72 5.75 -1.26 -2.82 116.55 119.60 1rye n ASP 86 Ca 0.06 -0.69 -0.22 0.00 -0.01 0.00 0.00 54.79 53.93 1rye n ASP 86 Cb 0.24 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.22 1rye n ASP 86 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1rye n TYR 87 N 0.00 0.97 0.10 2.11 4.01 -1.25 -2.79 117.16 120.31 1rye n TYR 87 Ca 0.00 -1.84 0.00 0.00 -0.16 0.00 0.00 57.90 55.90 1rye n TYR 87 Cb 0.00 -1.55 0.00 0.00 -0.31 0.00 0.00 39.34 37.48 1rye n TYR 87 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1rye n SER 88 N 1.76 -1.87 0.00 7.72 3.41 -1.26 -4.84 113.62 118.54 1rye n SER 88 Ca 0.48 0.44 0.10 0.00 -0.26 0.00 0.00 58.87 59.64 1rye n SER 88 Cb 0.69 1.98 0.53 0.00 -0.26 0.00 0.00 64.21 67.14 1rye n SER 88 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1rye n ASN 89 N -2.92 0.00 -0.40 4.04 6.94 -1.25 -3.64 115.26 118.04 1rye n ASN 89 Ca 0.00 -0.02 0.34 0.00 -0.02 0.00 0.00 54.58 54.89 1rye n ASN 89 Cb 0.00 -0.28 0.59 0.00 -2.36 0.00 0.00 39.78 37.73 1rye n ASN 89 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 1rye n PHE 90 N -1.28 0.70 -0.11 -2.53 7.35 -1.12 0.41 117.46 120.88 1rye n PHE 90 Ca 0.10 0.71 0.02 0.00 -0.76 0.00 0.00 57.45 57.52 1rye n PHE 90 Cb 0.17 -1.13 0.33 0.00 0.35 0.00 0.00 39.48 39.20 1rye n PHE 90 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1rye h ASP 91 N 0.00 0.67 -1.70 -2.13 5.19 -1.89 -2.85 116.42 113.71 1rye h ASP 91 Ca 0.78 -0.02 0.50 0.00 -0.62 0.00 0.00 57.03 57.66 1rye h ASP 91 Cb 2.43 -0.17 -0.07 0.00 0.18 0.00 0.00 39.33 41.69 1rye h ASP 91 CO -0.46 0.49 1.22 0.50 -3.12 0.00 0.00 179.24 177.86 1rye h LYS 92 N 0.79 0.01 -0.38 3.56 3.64 -0.36 -1.50 116.57 122.33 1rye h LYS 92 Ca 0.21 -0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.70 1rye h LYS 92 Cb -0.08 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1rye h LYS 92 CO -0.04 0.01 1.04 -0.84 -2.27 0.00 0.00 179.45 177.34 1rye h ILE 93 N 0.01 0.01 0.00 2.00 3.07 -1.69 1.78 117.51 122.69 1rye h ILE 93 Ca 0.82 0.00 -0.06 0.00 1.55 0.00 0.00 64.86 67.17 1rye h ILE 93 Cb 3.25 0.05 -0.01 0.00 -0.27 0.00 0.00 36.82 39.83 1rye h ILE 93 CO -0.04 0.00 -0.29 0.00 -1.05 0.00 0.00 178.15 176.77 1rye h ALA 94 N 0.28 1.34 0.24 0.16 0.00 -1.47 -3.13 119.26 116.68 1rye h ALA 94 Ca 0.18 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1rye h ALA 94 Cb 2.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 20.00 1rye h ALA 94 CO -0.00 0.36 -0.11 -0.22 0.00 0.00 0.00 179.25 179.27 1rye h LYS 95 N 0.00 -0.31 -6.30 0.00 3.11 0.25 -3.42 116.57 109.90 1rye h LYS 95 Ca -0.00 0.02 -0.57 0.00 -2.81 0.00 0.00 60.65 57.29 1rye h LYS 95 Cb 0.57 0.07 -0.03 0.00 -1.00 0.00 0.00 32.23 31.84 1rye h LYS 95 CO 0.04 -0.11 1.08 0.34 -2.81 0.00 0.00 179.45 177.98 1rye s ASP 96 N -5.02 6.48 0.00 4.20 -1.08 -1.18 -4.89 116.67 115.19 1rye s ASP 96 Ca -0.15 1.52 0.18 0.00 -0.52 0.00 0.00 52.55 53.58 1rye s ASP 96 Cb 0.04 -2.53 0.81 0.00 -1.46 0.00 0.00 42.92 39.78 1rye s ASP 96 CO 0.63 -1.19 1.56 -0.81 0.52 0.00 0.00 175.17 175.88 1rye n PRO 97 N 7.52 1.40 -0.01 4.34 -0.04 -1.26 -3.23 135.00 143.71 1rye n PRO 97 Ca 0.17 -0.60 -0.06 0.00 -0.04 0.00 0.00 63.50 62.97 1rye n PRO 97 Cb 0.46 -1.32 -0.13 0.00 -0.04 0.00 0.00 33.50 32.47 1rye n PRO 97 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1rye n LYS 98 N -0.16 0.63 -2.63 0.54 5.02 -1.26 -4.67 118.16 115.63 1rye n LYS 98 Ca 0.14 0.26 -0.42 0.00 -2.02 0.00 0.00 58.31 56.27 1rye n LYS 98 Cb 0.20 -1.78 -0.02 0.00 -0.02 0.00 0.00 35.03 33.41 1rye n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1rye s ILE 99 N -2.68 4.14 0.04 -0.18 1.01 -1.20 -3.60 121.20 118.73 1rye s ILE 99 Ca -0.05 -1.27 -0.26 0.00 0.00 0.00 0.00 60.65 59.08 1rye s ILE 99 Cb 0.08 -5.05 -0.17 0.00 0.01 0.00 0.00 42.46 37.33 1rye s ILE 99 CO 0.82 -1.89 1.45 0.44 0.00 0.00 0.00 174.94 175.76 1rye h ASP 100 N 8.96 -0.24 -4.58 3.58 3.32 -1.82 -3.46 116.42 122.18 1rye h ASP 100 Ca 0.27 -0.15 -0.31 0.00 0.02 0.00 0.00 57.03 56.85 1rye h ASP 100 Cb 0.97 0.06 -0.15 0.00 0.22 0.00 0.00 39.33 40.44 1rye h ASP 100 CO 1.39 0.02 -0.64 0.00 -1.72 0.00 0.00 179.24 178.29 1rye s ALA 101 N -5.30 1.51 0.10 3.45 0.00 -1.06 -2.18 121.76 118.28 1rye s ALA 101 Ca -0.15 -1.73 0.09 0.00 0.00 0.00 0.00 51.96 50.17 1rye s ALA 101 Cb 0.03 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 23.95 1rye s ALA 101 CO 0.61 -0.40 -0.19 0.08 0.00 0.00 0.00 175.76 175.86 1rye s VAL 102 N -3.74 2.78 -0.25 0.00 1.01 0.91 -1.95 120.40 119.16 1rye s VAL 102 Ca 0.31 -1.43 0.01 0.00 0.00 0.00 0.00 61.98 60.87 1rye s VAL 102 Cb 0.07 -2.24 0.07 0.00 0.00 0.00 0.00 36.38 34.28 1rye s VAL 102 CO 0.09 0.17 -0.03 -0.47 0.00 0.00 0.00 175.10 174.86 1rye s TYR 103 N -1.07 2.39 0.05 5.22 6.14 0.14 -1.08 117.35 129.15 1rye s TYR 103 Ca 0.17 -1.81 -0.25 0.00 0.64 0.00 0.00 57.07 55.82 1rye s TYR 103 Cb -0.10 -1.66 -0.06 0.00 0.42 0.00 0.00 41.96 40.56 1rye s TYR 103 CO 0.08 -0.79 0.78 0.42 0.64 0.00 0.00 175.55 176.68 1rye s ILE 104 N 1.39 4.70 -0.20 3.14 1.01 -0.03 -1.84 121.20 129.38 1rye s ILE 104 Ca -0.03 1.66 0.22 0.00 0.00 0.00 0.00 60.65 62.49 1rye s ILE 104 Cb -0.19 -4.13 0.48 0.00 0.01 0.00 0.00 42.46 38.64 1rye s ILE 104 CO -0.08 0.37 1.13 -0.38 0.00 0.00 0.00 174.94 175.99 1rye n ILE 105 N 2.74 1.08 -2.93 2.92 5.41 -0.84 -2.68 119.36 125.05 1rye n ILE 105 Ca -0.02 -2.55 -0.19 0.00 1.00 0.00 0.00 62.75 60.98 1rye n ILE 105 Cb 0.50 1.01 0.04 0.00 -0.71 0.00 0.00 39.64 40.48 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 -2.84 3.32 1.00 1.39 1.43 -1.26 -4.69 118.68 117.04 1rye s LEU 106 Ca 0.31 -0.54 -0.13 0.00 -1.03 0.00 0.00 54.13 52.74 1rye s LEU 106 Cb 0.35 -2.21 0.10 0.00 0.03 0.00 0.00 46.19 44.46 1rye s LEU 106 CO -0.07 -1.15 0.57 -2.65 0.23 0.00 0.00 176.35 173.28 1rye n PRO 107 N -2.17 -0.78 -0.31 1.29 -0.02 -1.26 -4.81 135.00 126.95 1rye n PRO 107 Ca 0.12 -0.19 -0.03 0.00 -2.02 0.00 0.00 63.50 61.38 1rye n PRO 107 Cb 0.60 -1.98 0.08 0.00 -0.02 0.00 0.00 33.50 32.19 1rye n PRO 107 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1rye h ASN 108 N -1.85 0.95 0.00 2.55 2.35 -1.85 -2.63 115.58 115.10 1rye h ASN 108 Ca -0.47 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 1rye h ASN 108 Cb 1.30 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 39.44 1rye h ASN 108 CO 0.38 0.68 0.00 0.77 -1.65 0.00 0.00 177.43 177.61 1rye h SER 109 N 1.12 0.00 -0.24 5.81 4.64 -0.89 -2.10 113.55 121.89 1rye h SER 109 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1rye h SER 109 Cb -0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1rye h SER 109 CO -0.08 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.06 1rye n LEU 110 N -2.75 2.70 0.03 5.97 4.32 -1.00 -4.67 117.00 121.60 1rye n LEU 110 Ca -0.02 -1.51 -0.12 0.00 -0.02 0.00 0.00 56.01 54.34 1rye n LEU 110 Cb 0.06 -0.15 -0.07 0.00 -1.62 0.00 0.00 43.42 41.63 1rye n LEU 110 CO 0.16 0.60 0.83 0.45 -1.22 0.00 0.00 177.39 178.21 1rye h HIS 111 N 2.70 0.01 0.16 -1.77 3.86 -1.38 -3.23 115.15 115.51 1rye h HIS 111 Ca 0.00 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1rye h HIS 111 Cb 0.70 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.17 1rye h HIS 111 CO 0.15 0.09 -0.08 0.00 0.86 0.00 0.00 177.93 178.95 1rye h ALA 112 N 0.92 -0.22 -0.11 2.45 0.00 -1.81 -2.35 119.26 118.16 1rye h ALA 112 Ca 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1rye h ALA 112 Cb 0.08 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1rye h ALA 112 CO -0.00 -0.57 -0.06 -1.91 0.00 0.00 0.00 179.25 176.71 1rye n GLU 113 N -5.14 -0.05 0.24 0.00 2.13 -1.23 -1.67 120.64 114.93 1rye n GLU 113 Ca -0.09 1.05 0.10 0.00 0.66 0.00 0.00 57.16 58.89 1rye n GLU 113 Cb 0.15 -1.57 0.58 0.00 0.27 0.00 0.00 31.44 30.86 1rye n GLU 113 CO 0.00 0.00 0.00 0.74 -0.41 0.00 0.00 177.13 177.46 1rye h PHE 114 N 0.00 0.00 -0.90 4.31 -1.00 -1.63 -1.37 116.94 116.35 1rye h PHE 114 Ca 0.02 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.80 1rye h PHE 114 Cb 0.04 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.56 1rye h PHE 114 CO -0.95 0.20 0.58 0.00 -1.61 0.00 0.00 178.31 176.54 1rye h ALA 115 N 1.80 1.14 0.04 2.45 0.00 -0.74 0.43 119.26 124.37 1rye h ALA 115 Ca -0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1rye h ALA 115 Cb 0.54 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 17.97 1rye h ALA 115 CO 0.03 0.55 -0.30 0.82 0.00 0.00 0.00 179.25 180.35 1rye h ILE 116 N 1.22 1.64 -0.90 0.00 2.04 -1.15 -1.16 117.51 119.20 1rye h ILE 116 Ca 0.33 -2.28 0.23 0.00 1.00 0.00 0.00 64.86 64.14 1rye h ILE 116 Cb -0.12 3.15 -0.06 0.00 -0.74 0.00 0.00 36.82 39.06 1rye h ILE 116 CO -0.07 0.62 0.61 0.03 0.00 0.00 0.00 178.15 179.34 1rye h ARG 117 N -0.68 0.25 0.00 2.37 3.08 -1.06 0.49 114.38 118.84 1rye h ARG 117 Ca -0.05 -0.01 -0.15 0.00 0.07 0.00 0.00 59.98 59.83 1rye h ARG 117 Cb 1.18 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.15 1rye h ARG 117 CO 0.06 0.16 -0.87 0.00 -1.07 0.00 0.00 179.97 178.25 1rye h ALA 118 N 1.60 0.60 -0.01 0.04 0.00 -0.11 -3.33 119.26 118.05 1rye h ALA 118 Ca 0.46 -0.70 -0.23 0.00 0.00 0.00 0.00 54.91 54.44 1rye h ALA 118 Cb 1.38 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.18 1rye h ALA 118 CO -0.12 0.88 -0.96 0.74 0.00 0.00 0.00 179.25 179.79 1rye h PHE 119 N 0.00 0.74 0.00 0.00 0.04 0.12 -3.10 116.94 114.74 1rye h PHE 119 Ca -0.05 -0.39 0.00 0.00 2.80 0.00 0.00 57.97 60.32 1rye h PHE 119 Cb 1.55 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 39.62 1rye h PHE 119 CO 0.00 1.22 0.00 1.63 -0.60 0.00 0.00 178.31 180.56 1rye n LYS 120 N -3.78 0.86 0.00 1.51 5.02 0.11 -1.95 118.16 119.93 1rye n LYS 120 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 1rye n LYS 120 Cb 0.84 -1.07 0.00 0.00 -0.02 0.00 0.00 35.03 34.78 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 1.55 0.04 -1.01 7.82 0.00 -1.17 -5.02 120.51 122.71 1rye n ALA 121 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 53.44 53.43 1rye n ALA 121 Cb 0.43 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 0.00 0.47 3.65 0.00 0.00 -0.82 -4.39 105.19 104.10 1rye n GLY 122 Ca 0.00 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.63 3.53 0.89 1.61 -0.14 -1.22 -4.95 119.74 118.84 1rye s LYS 123 Ca 0.00 -0.37 -0.11 0.00 -1.36 0.00 0.00 55.97 54.13 1rye s LYS 123 Cb 0.00 -3.01 0.13 0.00 -1.68 0.00 0.00 37.83 33.26 1rye s LYS 123 CO 0.00 0.47 1.10 -1.01 -0.76 0.00 0.00 175.35 175.15 1rye s HIS 124 N -0.21 2.07 0.07 3.18 3.76 -0.93 -4.36 115.29 118.87 1rye s HIS 124 Ca 0.07 1.52 0.08 0.00 -0.15 0.00 0.00 55.06 56.57 1rye s HIS 124 Cb -0.12 -3.18 -0.03 0.00 1.11 0.00 0.00 32.58 30.36 1rye s HIS 124 CO 0.02 -2.50 -0.21 0.08 -0.85 0.00 0.00 174.74 171.27 1rye s VAL 125 N -2.78 1.74 -0.29 -0.90 1.01 -0.45 -0.07 120.40 118.66 1rye s VAL 125 Ca 0.64 -1.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.24 1rye s VAL 125 Cb -0.20 -1.54 0.10 0.00 0.00 0.00 0.00 36.38 34.74 1rye s VAL 125 CO 0.58 0.12 0.11 -0.32 0.00 0.00 0.00 175.10 175.60 1rye s MET 126 N -1.46 0.39 0.05 2.72 0.00 -0.24 -1.66 119.30 119.09 1rye s MET 126 Ca 0.08 -0.71 -0.00 0.00 0.00 0.00 0.00 55.69 55.05 1rye s MET 126 Cb -0.09 -1.50 -0.04 0.00 0.00 0.00 0.00 34.83 33.19 1rye s MET 126 CO 0.03 -0.99 0.18 0.00 0.00 0.00 0.00 175.02 174.24 1rye s GLU 128 N -2.37 2.80 0.20 0.00 -6.30 -1.09 0.20 118.70 112.14 1rye s GLU 128 Ca 0.33 0.44 -0.09 0.00 -2.50 0.00 0.00 54.97 53.15 1rye s GLU 128 Cb -0.13 -2.02 -0.07 0.00 0.00 0.00 0.00 34.13 31.92 1rye s GLU 128 CO 0.25 -1.07 0.51 -1.59 0.02 0.00 0.00 175.26 173.38 1rye s LYS 129 N -5.37 3.78 0.34 4.30 0.00 -1.26 -3.83 119.74 117.70 1rye s LYS 129 Ca 0.58 0.22 -0.26 0.00 0.00 0.00 0.00 55.97 56.51 1rye s LYS 129 Cb -0.11 -2.72 -0.09 0.00 0.00 0.00 0.00 37.83 34.91 1rye s LYS 129 CO 0.52 0.37 1.05 -1.25 0.00 0.00 0.00 175.35 176.03 1rye s PRO 130 N -2.69 4.41 0.25 1.78 0.04 -1.26 -4.99 135.00 132.54 1rye s PRO 130 Ca 0.45 1.60 -0.08 0.00 0.04 0.00 0.00 61.00 63.01 1rye s PRO 130 Cb -0.12 -2.83 0.41 0.00 0.04 0.00 0.00 34.50 32.00 1rye s PRO 130 CO 0.21 0.06 1.42 -0.12 0.04 0.00 0.00 177.00 178.61 1rye n MET 131 N 0.52 -0.09 -2.47 4.56 0.00 -1.25 -4.80 117.12 113.59 1rye n MET 131 Ca 0.02 1.42 -0.05 0.00 -0.00 0.00 0.00 57.70 59.09 1rye n MET 131 Cb 0.48 -2.12 0.01 0.00 0.00 0.00 0.00 33.22 31.59 1rye n MET 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1rye n ALA 132 N -3.66 -0.79 -0.76 -5.12 0.00 -1.26 -4.58 120.51 104.34 1rye n ALA 132 Ca 0.14 -0.67 0.08 0.00 0.00 0.00 0.00 53.44 52.99 1rye n ALA 132 Cb 0.45 0.54 0.32 0.00 0.00 0.00 0.00 19.45 20.76 1rye n ALA 132 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1rye n THR 133 N -0.28 2.13 -3.55 0.00 -2.24 -1.26 -4.96 114.28 104.12 1rye n THR 133 Ca -0.04 -1.44 -0.11 0.00 -2.27 0.00 0.00 64.05 60.19 1rye n THR 133 Cb 0.30 -0.05 -0.05 0.00 -2.10 0.00 0.00 70.33 68.43 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 -1.20 -0.42 0.33 3.42 1.04 -1.26 -4.95 113.70 110.66 1rye s SER 134 Ca 0.46 0.37 0.11 0.00 0.48 0.00 0.00 55.95 57.37 1rye s SER 134 Cb 0.33 0.36 0.57 0.00 0.10 0.00 0.00 66.02 67.38 1rye s SER 134 CO 0.17 -0.45 1.74 0.58 0.98 0.00 0.00 173.24 176.26 1rye h VAL 135 N 2.51 1.33 0.76 5.02 2.07 -1.93 -3.00 116.25 123.01 1rye h VAL 135 Ca -0.21 -1.58 -0.04 0.00 0.82 0.00 0.00 66.70 65.70 1rye h VAL 135 Cb 1.18 1.83 0.01 0.00 -1.52 0.00 0.00 31.29 32.79 1rye h VAL 135 CO 0.32 0.45 -0.37 0.00 0.02 0.00 0.00 177.57 178.00 1rye h ALA 136 N 1.51 -1.20 -0.92 1.67 0.00 -2.00 -2.72 119.26 115.60 1rye h ALA 136 Ca -0.00 -0.22 0.19 0.00 0.00 0.00 0.00 54.91 54.88 1rye h ALA 136 Cb 0.82 0.40 -0.07 0.00 0.00 0.00 0.00 17.79 18.93 1rye h ALA 136 CO 0.06 -1.13 0.60 -0.44 0.00 0.00 0.00 179.25 178.34 1rye h ASP 137 N -1.08 0.51 -0.88 0.00 3.32 -1.97 0.34 116.42 116.66 1rye h ASP 137 Ca -0.10 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.01 1rye h ASP 137 Cb 0.78 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 40.24 1rye h ASP 137 CO 0.17 0.21 0.58 0.00 -1.72 0.00 0.00 179.24 178.49 1rye h GLN 139 N 1.17 0.41 -0.88 0.00 5.75 -0.04 -1.75 115.11 119.76 1rye h GLN 139 Ca 0.33 -0.17 0.14 0.00 -0.15 0.00 0.00 58.65 58.81 1rye h GLN 139 Cb -0.09 -0.02 -0.09 0.00 1.07 0.00 0.00 27.48 28.35 1rye h GLN 139 CO -0.08 0.67 0.48 0.00 -2.65 0.00 0.00 178.83 177.25 1rye h ARG 140 N 0.12 0.68 -0.43 1.69 3.08 -0.69 0.90 114.38 119.74 1rye h ARG 140 Ca 0.05 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 1rye h ARG 140 Cb 0.53 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1rye h ARG 140 CO 0.02 0.45 0.07 0.52 -1.07 0.00 0.00 179.97 179.96 1rye h MET 141 N 0.70 0.66 -0.06 0.04 2.86 -0.80 -1.23 114.93 117.11 1rye h MET 141 Ca 0.47 -0.13 -0.16 0.00 -2.06 0.00 0.00 59.70 57.82 1rye h MET 141 Cb 0.62 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 1rye h MET 141 CO -0.34 0.63 -0.66 0.82 1.06 0.00 0.00 176.91 178.42 1rye h ILE 142 N 0.64 1.40 0.61 -1.22 2.04 -0.02 -2.98 117.51 117.98 1rye h ILE 142 Ca 0.14 -2.11 -0.03 0.00 1.00 0.00 0.00 64.86 63.86 1rye h ILE 142 Cb 0.30 2.09 0.01 0.00 -0.74 0.00 0.00 36.82 38.48 1rye h ILE 142 CO 0.00 0.62 -0.29 0.44 0.00 0.00 0.00 178.15 178.92 1rye h ASP 143 N 0.18 -0.69 -1.06 1.72 3.32 -0.30 -2.64 116.42 116.95 1rye h ASP 143 Ca -0.01 0.02 0.30 0.00 0.02 0.00 0.00 57.03 57.36 1rye h ASP 143 Cb 1.20 0.18 -0.12 0.00 0.22 0.00 0.00 39.33 40.81 1rye h ASP 143 CO 0.10 -0.34 0.65 0.00 -1.72 0.00 0.00 179.24 177.93 1rye h ALA 144 N -1.32 2.11 -0.51 3.45 0.00 -1.35 0.40 119.26 122.05 1rye h ALA 144 Ca -0.08 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1rye h ALA 144 Cb 0.63 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1rye h ALA 144 CO 0.14 -0.62 0.27 0.00 0.00 0.00 0.00 179.25 179.04 1rye h ALA 145 N 1.71 0.65 0.00 0.00 0.00 -1.48 -1.35 119.26 118.79 1rye h ALA 145 Ca 0.67 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.41 1rye h ALA 145 Cb 1.61 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1rye h ALA 145 CO -0.44 0.18 -0.34 0.87 0.00 0.00 0.00 179.25 179.53 1rye h LYS 146 N 0.67 0.00 -0.02 0.00 1.57 0.08 -1.94 116.57 116.94 1rye h LYS 146 Ca 0.18 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.73 1rye h LYS 146 Cb 0.07 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.38 1rye h LYS 146 CO -0.03 0.34 -0.92 0.00 -0.57 0.00 0.00 179.45 178.27 1rye h ALA 147 N 1.66 0.35 -0.35 3.86 0.00 -0.56 -3.10 119.26 121.12 1rye h ALA 147 Ca -0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1rye h ALA 147 Cb 0.85 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1rye h ALA 147 CO 0.04 0.77 0.00 0.00 0.00 0.00 0.00 179.25 180.07 1rye n ALA 148 N -2.56 2.68 -4.35 0.00 0.00 -0.55 -4.90 120.51 110.82 1rye n ALA 148 Ca -0.07 -0.75 -0.35 0.00 0.00 0.00 0.00 53.44 52.27 1rye n ALA 148 Cb 0.82 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.19 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 0.50 -0.52 -4.59 0.00 4.05 -1.10 -4.85 115.26 108.75 1rye n ASN 149 Ca 0.13 -1.22 -0.27 0.00 0.45 0.00 0.00 54.58 53.68 1rye n ASN 149 Cb 0.44 -1.86 -0.11 0.00 1.23 0.00 0.00 39.78 39.49 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 -7.21 1.90 0.00 1.20 -0.14 -0.75 -5.06 119.74 109.69 1rye s LYS 150 Ca 0.35 -2.07 -0.05 0.00 -1.36 0.00 0.00 55.97 52.84 1rye s LYS 150 Cb -0.20 -1.49 -0.04 0.00 -1.68 0.00 0.00 37.83 34.41 1rye s LYS 150 CO 0.99 -0.08 0.23 0.15 -0.76 0.00 0.00 175.35 175.88 1rye s LYS 151 N -3.75 3.51 -0.17 1.68 1.02 -1.26 -4.53 119.74 116.24 1rye s LYS 151 Ca 0.35 -0.20 0.01 0.00 0.02 0.00 0.00 55.97 56.15 1rye s LYS 151 Cb 0.10 -3.08 0.02 0.00 -0.52 0.00 0.00 37.83 34.35 1rye s LYS 151 CO 0.17 0.66 -0.17 -1.17 -0.92 0.00 0.00 175.35 173.92 1rye s LEU 152 N -1.86 2.02 -0.07 3.17 0.20 -1.26 -1.34 118.68 119.54 1rye s LEU 152 Ca 0.27 -0.63 0.02 0.00 0.69 0.00 0.00 54.13 54.49 1rye s LEU 152 Cb -0.13 -1.36 0.01 0.00 -0.43 0.00 0.00 46.19 44.29 1rye s LEU 152 CO 0.17 -0.04 -0.13 -0.32 -0.29 0.00 0.00 176.35 175.75 1rye s MET 153 N 1.36 1.75 0.11 1.98 -2.45 -0.67 -2.55 119.30 118.84 1rye s MET 153 Ca 0.04 -0.43 -0.16 0.00 -1.25 0.00 0.00 55.69 53.90 1rye s MET 153 Cb -0.13 -1.45 -0.07 0.00 1.25 0.00 0.00 34.83 34.43 1rye s MET 153 CO -0.12 0.02 0.54 0.42 1.05 0.00 0.00 175.02 176.93 1rye s ILE 154 N 0.69 4.85 -0.87 10.11 -1.09 -0.86 -1.48 121.20 132.55 1rye s ILE 154 Ca -0.14 0.92 -0.21 0.00 -2.23 0.00 0.00 60.65 58.99 1rye s ILE 154 Cb -0.16 -3.77 -0.13 0.00 -1.58 0.00 0.00 42.46 36.82 1rye s ILE 154 CO 0.03 0.36 1.95 0.61 -1.23 0.00 0.00 174.94 176.66 1rye n GLY 155 N 1.13 2.64 3.30 6.18 0.00 0.54 -4.83 105.19 114.15 1rye n GLY 155 Ca -0.07 -1.27 -0.44 0.00 0.00 0.00 0.00 46.02 44.23 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 5.22 3.96 0.35 1.61 2.02 -1.26 -4.27 117.35 124.99 1rye s TYR 156 Ca 0.57 -2.43 0.08 0.00 -0.37 0.00 0.00 57.07 54.93 1rye s TYR 156 Cb 0.13 -3.73 0.79 0.00 -0.40 0.00 0.00 41.96 38.75 1rye s TYR 156 CO 0.10 -0.94 1.88 0.07 -1.57 0.00 0.00 175.55 175.09 1rye h ARG 157 N 7.11 0.69 0.00 -0.62 0.11 -1.94 0.48 114.38 120.22 1rye h ARG 157 Ca 0.13 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.17 1rye h ARG 157 Cb 0.95 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 31.87 1rye h ARG 157 CO 0.86 0.46 0.00 0.00 0.10 0.00 0.00 179.97 181.39 1rye n HIS 159 N -1.77 0.30 -1.58 0.00 8.25 0.16 -3.55 115.22 117.02 1rye n HIS 159 Ca 0.00 0.09 0.05 0.00 -0.26 0.00 0.00 57.72 57.60 1rye n HIS 159 Cb 0.06 -0.61 0.07 0.00 1.12 0.00 0.00 29.99 30.63 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 -1.75 0.00 -3.16 4.41 4.01 0.11 -4.94 117.16 115.84 1rye n TYR 160 Ca 0.06 -0.47 -0.41 0.00 -0.16 0.00 0.00 57.90 56.92 1rye n TYR 160 Cb 0.37 -0.10 -0.07 0.00 -0.31 0.00 0.00 39.34 39.23 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 -1.89 6.47 0.23 7.72 2.15 -0.78 -4.06 116.67 126.52 1rye s ASP 161 Ca 0.15 0.47 -0.14 0.00 0.43 0.00 0.00 52.55 53.46 1rye s ASP 161 Cb 0.14 -2.31 0.29 0.00 -0.30 0.00 0.00 42.92 40.73 1rye s ASP 161 CO 0.01 -0.40 1.58 -0.65 -0.17 0.00 0.00 175.17 175.54 1rye h PRO 162 N 8.10 -0.04 -0.68 4.34 0.11 -1.92 -0.22 132.00 141.69 1rye h PRO 162 Ca -0.28 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.84 1rye h PRO 162 Cb 1.13 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1rye h PRO 162 CO 0.76 -0.02 0.45 0.52 -0.21 0.00 0.00 178.00 179.50 1rye h MET 163 N -0.04 0.89 -0.44 1.05 2.86 -1.93 -1.97 114.93 115.36 1rye h MET 163 Ca 0.36 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.93 1rye h MET 163 Cb 0.60 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 1rye h MET 163 CO -0.85 0.59 0.22 -0.91 1.06 0.00 0.00 176.91 177.02 1rye h ASN 164 N 0.92 0.57 -0.36 1.22 2.35 -1.38 -2.36 115.58 116.54 1rye h ASN 164 Ca 0.25 -0.12 -0.05 0.00 -0.55 0.00 0.00 56.30 55.84 1rye h ASN 164 Cb -0.10 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 1rye h ASN 164 CO -0.06 0.52 0.08 0.03 -1.65 0.00 0.00 177.43 176.36 1rye h ARG 165 N 0.57 0.67 -0.62 0.81 2.47 -1.08 -2.40 114.38 114.80 1rye h ARG 165 Ca 0.15 -0.13 -0.03 0.00 -1.26 0.00 0.00 59.98 58.71 1rye h ARG 165 Cb 0.10 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.29 1rye h ARG 165 CO -0.02 0.63 0.27 0.00 0.56 0.00 0.00 179.97 181.41 1rye h ALA 166 N 1.44 0.80 -0.20 0.04 0.00 -1.06 0.33 119.26 120.61 1rye h ALA 166 Ca 0.14 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1rye h ALA 166 Cb 0.28 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1rye h ALA 166 CO 0.00 0.39 0.03 0.00 0.00 0.00 0.00 179.25 179.67 1rye h ALA 167 N 1.11 0.20 -0.59 0.00 0.00 -0.96 -0.95 119.26 118.07 1rye h ALA 167 Ca 0.21 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.18 1rye h ALA 167 Cb 0.16 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1rye h ALA 167 CO -0.02 -0.40 0.38 0.28 0.00 0.00 0.00 179.25 179.48 1rye h VAL 168 N 0.10 1.11 0.35 0.00 2.07 -1.11 -2.22 116.25 116.56 1rye h VAL 168 Ca 0.09 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1rye h VAL 168 Cb 0.10 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1rye h VAL 168 CO -0.14 0.14 -0.29 0.50 0.02 0.00 0.00 177.57 177.81 1rye h LYS 169 N 0.75 -0.62 0.00 1.57 3.64 -0.37 -0.97 116.57 120.57 1rye h LYS 169 Ca 0.23 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1rye h LYS 169 Cb -0.03 0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1rye h LYS 169 CO -0.07 -0.42 -0.00 1.37 -2.27 0.00 0.00 179.45 178.06 1rye h LEU 170 N -0.65 0.00 -0.14 5.20 8.10 -1.04 0.16 115.31 126.94 1rye h LEU 170 Ca -0.03 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 57.87 1rye h LEU 170 Cb 0.57 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.79 1rye h LEU 170 CO -0.02 0.00 -0.27 0.40 -4.11 0.00 0.00 178.44 174.44 1rye h ILE 171 N 0.00 1.36 -0.42 0.15 2.04 -0.95 -1.08 117.51 118.62 1rye h ILE 171 Ca -0.00 -1.53 0.00 0.00 1.00 0.00 0.00 64.86 64.33 1rye h ILE 171 Cb 0.01 2.00 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 1rye h ILE 171 CO 0.00 0.45 0.26 0.03 0.00 0.00 0.00 178.15 178.90 1rye h ARG 172 N 0.05 0.55 -0.39 2.37 -0.00 -0.25 0.28 114.38 116.99 1rye h ARG 172 Ca 0.01 -0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.45 1rye h ARG 172 Cb 0.86 -0.12 0.00 0.00 0.00 0.00 0.00 29.97 30.71 1rye h ARG 172 CO 0.06 0.38 0.00 0.39 0.00 0.00 0.00 179.97 180.80 1rye n GLU 173 N -4.46 1.23 -3.94 0.04 1.02 -0.04 -4.88 120.64 109.60 1rye n GLU 173 Ca 0.03 -0.26 -0.29 0.00 -0.02 0.00 0.00 57.16 56.62 1rye n GLU 173 Cb 0.07 -1.24 0.01 0.00 -0.02 0.00 0.00 31.44 30.25 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 -0.17 -2.91 0.19 1.62 5.15 1.00 -4.88 115.26 115.25 1rye n ASN 174 Ca 0.02 -0.88 0.09 0.00 -0.60 0.00 0.00 54.58 53.21 1rye n ASN 174 Cb 0.16 -3.53 0.11 0.00 -0.53 0.00 0.00 39.78 35.99 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 -1.88 0.00 -0.00 1.20 4.20 -1.35 -3.22 115.11 114.05 1rye h GLN 175 Ca -0.60 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.11 1rye h GLN 175 Cb 1.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.15 1rye h GLN 175 CO 0.66 0.17 -0.68 1.28 -0.67 0.00 0.00 178.83 179.59 1rye n LEU 176 N -3.12 1.00 0.00 1.46 4.77 -1.26 -4.34 117.00 115.51 1rye n LEU 176 Ca 0.03 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 1rye n LEU 176 Cb 0.60 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1rye n LEU 176 CO 0.37 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1rye n GLY 177 N 1.47 -0.92 3.74 -0.72 0.00 -1.22 -1.46 105.19 106.07 1rye n GLY 177 Ca 0.06 -1.21 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 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 4.52 -0.01 1.61 2.20 -1.26 -4.70 119.74 122.10 1rye s LYS 178 Ca 0.00 1.81 -0.28 0.00 -0.36 0.00 0.00 55.97 57.14 1rye s LYS 178 Cb 0.00 -3.26 -0.03 0.00 -1.51 0.00 0.00 37.83 33.02 1rye s LYS 178 CO 0.00 -0.05 0.91 -0.51 -0.36 0.00 0.00 175.35 175.34 1rye s LEU 179 N -0.14 4.36 0.00 5.43 1.43 -1.26 -1.37 118.68 127.13 1rye s LEU 179 Ca 0.52 1.55 0.00 0.00 -1.03 0.00 0.00 54.13 55.17 1rye s LEU 179 Cb -0.31 -3.45 0.00 0.00 0.03 0.00 0.00 46.19 42.46 1rye s LEU 179 CO 0.35 -0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.32 1rye n GLY 180 N 2.93 0.00 3.00 -3.19 0.00 0.13 -4.27 105.19 103.79 1rye n GLY 180 Ca 0.04 0.00 -0.13 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 -1.11 0.16 -0.06 1.61 -2.45 -1.11 -1.08 119.30 115.26 1rye s MET 181 Ca 0.00 0.57 0.05 0.00 -1.25 0.00 0.00 55.69 55.06 1rye s MET 181 Cb 0.00 -0.12 -0.01 0.00 1.25 0.00 0.00 34.83 35.95 1rye s MET 181 CO 0.00 -0.21 -0.22 0.08 1.05 0.00 0.00 175.02 175.72 1rye s VAL 182 N 1.66 1.83 -0.11 10.11 1.01 -0.54 0.13 120.40 134.50 1rye s VAL 182 Ca -0.05 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.01 1rye s VAL 182 Cb -0.11 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.72 1rye s VAL 182 CO -0.08 0.51 -0.17 -0.89 0.00 0.00 0.00 175.10 174.48 1rye s THR 183 N -0.02 1.59 0.03 3.92 2.01 0.22 -1.09 115.64 122.31 1rye s THR 183 Ca -0.06 -0.70 0.06 0.00 0.31 0.00 0.00 61.69 61.30 1rye s THR 183 Cb -0.14 -1.44 -0.02 0.00 0.01 0.00 0.00 72.50 70.91 1rye s THR 183 CO 0.04 0.46 -0.18 0.42 -0.69 0.00 0.00 174.62 174.67 1rye s THR 184 N 0.92 1.45 -0.14 -0.82 -4.23 -0.81 -0.61 115.64 111.39 1rye s THR 184 Ca -0.08 -1.04 -0.06 0.00 -1.18 0.00 0.00 61.69 59.34 1rye s THR 184 Cb -0.15 -1.26 0.07 0.00 1.34 0.00 0.00 72.50 72.50 1rye s THR 184 CO -0.01 0.19 0.30 -1.81 -0.54 0.00 0.00 174.62 172.76 1rye s ASP 185 N -0.99 0.04 -0.08 3.99 1.01 -0.46 -1.63 116.67 118.55 1rye s ASP 185 Ca 0.06 0.69 -0.01 0.00 0.71 0.00 0.00 52.55 53.99 1rye s ASP 185 Cb -0.08 0.78 0.03 0.00 1.01 0.00 0.00 42.92 44.66 1rye s ASP 185 CO 0.01 -0.22 -0.00 0.20 0.21 0.00 0.00 175.17 175.37 1rye s ASN 186 N 2.15 1.69 0.07 0.27 -0.87 -0.86 -1.73 114.94 115.66 1rye s ASN 186 Ca -0.02 -0.13 -0.04 0.00 -1.57 0.00 0.00 52.86 51.09 1rye s ASN 186 Cb -0.11 -0.48 -0.02 0.00 -0.02 0.00 0.00 41.25 40.61 1rye s ASN 186 CO -0.10 -0.19 0.07 -0.44 -2.57 0.00 0.00 177.10 173.88 1rye s SER 187 N 1.95 0.32 -0.28 -1.22 0.01 -0.41 -2.10 113.70 111.96 1rye s SER 187 Ca 0.05 -0.87 -0.23 0.00 1.31 0.00 0.00 55.95 56.21 1rye s SER 187 Cb -0.12 0.27 0.13 0.00 0.21 0.00 0.00 66.02 66.51 1rye s SER 187 CO -0.06 -0.67 1.03 -1.81 0.41 0.00 0.00 173.24 172.14 1rye s ASP 188 N -2.91 -0.46 0.00 2.44 1.01 -0.94 -1.97 116.67 113.86 1rye s ASP 188 Ca 0.08 0.83 -0.30 0.00 0.71 0.00 0.00 52.55 53.87 1rye s ASP 188 Cb 0.07 0.94 -0.06 0.00 1.01 0.00 0.00 42.92 44.88 1rye s ASP 188 CO -0.09 -0.14 1.40 -0.69 0.21 0.00 0.00 175.17 175.86 1rye s VAL 189 N 0.53 3.70 -0.32 -1.27 1.01 -1.02 -3.89 120.40 119.14 1rye s VAL 189 Ca 0.00 1.09 -0.26 0.00 0.00 0.00 0.00 61.98 62.81 1rye s VAL 189 Cb -0.05 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.64 1rye s VAL 189 CO -0.09 -0.00 0.94 -0.32 0.00 0.00 0.00 175.10 175.63 1rye s MET 190 N 2.37 4.01 -0.25 2.72 1.75 0.53 -4.97 119.30 125.46 1rye s MET 190 Ca 0.64 0.83 -0.09 0.00 -1.25 0.00 0.00 55.69 55.82 1rye s MET 190 Cb -0.31 -3.74 -0.04 0.00 2.84 0.00 0.00 34.83 33.58 1rye s MET 190 CO 0.27 -0.80 0.13 0.34 -0.65 0.00 0.00 175.02 174.30 1rye s ASP 191 N 1.64 5.69 -0.00 1.11 2.15 -1.26 -4.98 116.67 121.02 1rye s ASP 191 Ca 0.39 -0.05 0.01 0.00 0.43 0.00 0.00 52.55 53.33 1rye s ASP 191 Cb -0.13 -2.03 0.02 0.00 -0.30 0.00 0.00 42.92 40.48 1rye s ASP 191 CO 0.14 -0.01 1.01 0.00 -0.17 0.00 0.00 175.17 176.14 1rye n GLN 192 N 4.75 1.05 -0.04 4.34 0.00 -1.26 -3.10 117.38 123.12 1rye n GLN 192 Ca -0.15 -0.08 0.02 0.00 0.00 0.00 0.00 57.00 56.79 1rye n GLN 192 Cb 0.52 -1.03 0.05 0.00 0.00 0.00 0.00 30.24 29.78 1rye n GLN 192 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1rye n ASN 193 N -0.43 2.00 -4.69 2.61 3.02 -1.26 -4.82 115.26 111.70 1rye n ASN 193 Ca 0.01 -1.69 -0.36 0.00 -0.03 0.00 0.00 54.58 52.51 1rye n ASN 193 Cb 0.02 -0.06 -0.09 0.00 -0.61 0.00 0.00 39.78 39.05 1rye n ASN 193 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1rye s ASP 194 N -0.76 6.15 0.00 6.41 -1.08 -1.18 -5.03 116.67 121.18 1rye s ASP 194 Ca 0.08 0.16 0.00 0.00 -0.52 0.00 0.00 52.55 52.27 1rye s ASP 194 Cb 0.05 -2.10 0.00 0.00 -1.46 0.00 0.00 42.92 39.40 1rye s ASP 194 CO 0.06 0.10 0.74 -2.65 0.52 0.00 0.00 175.17 173.95 1rye n PRO 195 N 4.01 0.00 -0.46 4.34 -0.02 -1.26 -1.77 135.00 139.85 1rye n PRO 195 Ca -0.15 0.65 0.40 0.00 -2.02 0.00 0.00 63.50 62.37 1rye n PRO 195 Cb 0.52 -1.24 0.67 0.00 -0.02 0.00 0.00 33.50 33.43 1rye n PRO 195 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rye n ALA 196 N -1.83 1.34 -0.00 3.55 0.00 -1.26 -1.22 120.51 121.09 1rye n ALA 196 Ca 0.00 0.88 -0.13 0.00 0.00 0.00 0.00 53.44 54.20 1rye n ALA 196 Cb 0.00 -1.06 -0.10 0.00 0.00 0.00 0.00 19.45 18.29 1rye n ALA 196 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1rye h GLN 197 N 0.00 -0.04 -0.67 0.00 1.08 -1.64 -3.38 115.11 110.47 1rye h GLN 197 Ca 0.88 0.00 0.16 0.00 -1.45 0.00 0.00 58.65 58.24 1rye h GLN 197 Cb 2.79 0.01 -0.13 0.00 -0.05 0.00 0.00 27.48 30.10 1rye h GLN 197 CO -0.49 0.48 -0.08 1.04 -0.95 0.00 0.00 178.83 178.82 1rye n GLN 198 N -4.85 -0.06 0.24 1.46 6.02 -0.35 0.11 117.38 119.95 1rye n GLN 198 Ca -0.09 1.02 0.16 0.00 -0.01 0.00 0.00 57.00 58.08 1rye n GLN 198 Cb 0.27 -1.57 0.56 0.00 1.02 0.00 0.00 30.24 30.52 1rye n GLN 198 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.06 176.16 1rye h TRP 199 N 0.00 0.00 0.00 1.08 5.08 -1.73 -2.60 115.95 117.78 1rye h TRP 199 Ca 0.36 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.33 1rye h TRP 199 Cb 0.65 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.81 1rye h TRP 199 CO -0.43 0.00 0.00 0.54 -1.28 0.00 0.00 178.44 177.27 1rye n ARG 200 N -2.95 0.02 0.00 0.12 1.74 0.30 -2.23 116.66 113.66 1rye n ARG 200 Ca 0.02 0.18 0.11 0.00 -0.77 0.00 0.00 57.85 57.39 1rye n ARG 200 Cb 0.34 -1.54 0.05 0.00 -1.02 0.00 0.00 32.46 30.29 1rye n ARG 200 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1rye n LEU 201 N -1.58 0.83 -4.67 0.55 4.77 -0.98 -4.79 117.00 111.13 1rye n LEU 201 Ca 0.05 -0.30 -0.36 0.00 -0.03 0.00 0.00 56.01 55.36 1rye n LEU 201 Cb 0.24 -0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.13 1rye n LEU 201 CO 0.19 0.20 -0.15 -0.60 -1.33 0.00 0.00 177.39 175.70 1rye s ARG 202 N -2.97 4.10 0.10 3.23 3.52 -0.95 -4.12 118.95 121.86 1rye s ARG 202 Ca 0.10 -0.22 -0.32 0.00 -0.13 0.00 0.00 55.73 55.16 1rye s ARG 202 Cb 0.17 -3.52 -0.13 0.00 -1.56 0.00 0.00 34.95 29.91 1rye s ARG 202 CO 0.78 0.09 1.52 -0.09 -0.81 0.00 0.00 175.30 176.79 1rye h ARG 203 N 7.36 -0.63 -0.98 5.12 9.65 -1.85 -1.53 114.38 131.52 1rye h ARG 203 Ca -0.38 0.04 0.17 0.00 -1.10 0.00 0.00 59.98 58.71 1rye h ARG 203 Cb 1.17 0.14 -0.09 0.00 -1.39 0.00 0.00 29.97 29.80 1rye h ARG 203 CO 0.68 -0.42 0.61 1.49 2.80 0.00 0.00 179.97 185.13 1rye h GLU 204 N -0.65 0.75 0.12 0.20 4.81 -1.95 0.65 114.58 118.51 1rye h GLU 204 Ca 0.01 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1rye h GLU 204 Cb 0.69 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1rye h GLU 204 CO -0.31 0.50 -0.06 -0.07 -0.73 0.00 0.00 179.01 178.33 1rye h LEU 205 N 0.77 -0.14 0.04 1.64 3.38 -1.72 -3.38 115.31 115.90 1rye h LEU 205 Ca 0.53 -0.33 -0.24 0.00 0.09 0.00 0.00 57.88 57.93 1rye h LEU 205 Cb 0.81 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 1rye h LEU 205 CO -0.30 0.46 -1.14 0.00 0.09 0.00 0.00 178.44 177.55 1rye h ALA 206 N -0.53 0.30 -1.91 1.53 0.00 -1.20 0.17 119.26 117.63 1rye h ALA 206 Ca -0.02 -0.95 -0.16 0.00 0.00 0.00 0.00 54.91 53.79 1rye h ALA 206 Cb 0.46 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.22 1rye h ALA 206 CO 0.03 1.19 -0.23 0.41 0.00 0.00 0.00 179.25 180.65 1rye n GLY 207 N 1.43 0.19 0.00 0.00 0.00 0.23 -4.72 105.19 102.32 1rye n GLY 207 Ca -0.04 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.04 3.38 0.00 -0.02 0.00 -1.26 -4.93 105.19 101.33 1rye n GLY 208 Ca -0.05 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.71 1.67 0.59 -0.02 0.00 -1.26 -4.71 105.19 99.74 1rye n GLY 209 Ca 0.00 -1.68 0.42 0.00 0.00 0.00 0.00 46.02 44.76 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 0.06 -0.33 1.61 4.64 -1.73 0.11 113.55 117.92 1rye h SER 210 Ca 0.00 0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 61.21 1rye h SER 210 Cb 0.00 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 1rye h SER 210 CO 0.00 -0.02 -0.33 0.25 -0.87 0.00 0.00 176.83 175.86 1rye h LEU 211 N 0.04 0.85 0.08 5.97 5.85 -1.88 1.42 115.31 127.64 1rye h LEU 211 Ca 0.76 -0.47 -0.00 0.00 0.84 0.00 0.00 57.88 59.01 1rye h LEU 211 Cb 2.89 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 43.68 1rye h LEU 211 CO -0.09 1.15 -0.04 0.24 -0.34 0.00 0.00 178.44 179.36 1rye h MET 212 N 0.57 -0.11 0.21 1.25 2.86 -1.09 0.56 114.93 119.18 1rye h MET 212 Ca 0.05 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 1rye h MET 212 Cb 0.91 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.59 1rye h MET 212 CO 0.08 0.24 -0.10 0.22 1.06 0.00 0.00 176.91 178.41 1rye h ASP 213 N -0.46 -0.24 0.00 1.22 3.58 -1.46 -3.40 116.42 115.67 1rye h ASP 213 Ca -0.01 -0.29 0.00 0.00 0.42 0.00 0.00 57.03 57.15 1rye h ASP 213 Cb 0.39 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.50 1rye h ASP 213 CO 0.02 0.25 -0.77 2.30 -2.88 0.00 0.00 179.24 178.16 1rye n ILE 214 N -4.99 0.00 0.30 2.25 -5.35 -0.62 -4.66 119.36 106.29 1rye n ILE 214 Ca -0.08 0.00 0.18 0.00 -0.27 0.00 0.00 62.75 62.58 1rye n ILE 214 Cb 0.26 -0.24 0.86 0.00 -1.74 0.00 0.00 39.64 38.78 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 1.89 3.28 0.00 0.19 -2.22 103.07 106.21 1rye h GLY 215 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1rye h GLY 215 CO 0.00 0.00 -0.06 1.19 0.00 0.00 0.00 176.54 177.67 1rye h ILE 216 N 0.00 1.11 -0.63 2.60 2.10 -1.07 -2.19 117.51 119.43 1rye h ILE 216 Ca 0.00 -0.45 -0.02 0.00 1.08 0.00 0.00 64.86 65.48 1rye h ILE 216 Cb 0.24 1.10 -0.03 0.00 -1.09 0.00 0.00 36.82 37.03 1rye h ILE 216 CO 0.00 0.14 0.33 1.88 -1.08 0.00 0.00 178.15 179.42 1rye h TYR 217 N 0.14 0.86 -0.16 2.19 0.05 -1.70 0.11 116.97 118.46 1rye h TYR 217 Ca 0.03 -0.02 -0.12 0.00 0.05 0.00 0.00 58.73 58.68 1rye h TYR 217 Cb 0.20 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 37.67 1rye h TYR 217 CO 0.00 0.61 -0.36 0.78 -1.05 0.00 0.00 178.16 178.14 1rye h GLY 218 N 0.95 0.58 0.88 3.88 0.00 -1.57 0.33 103.07 108.11 1rye h GLY 218 Ca 0.22 -0.70 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 1rye h GLY 218 CO -0.03 0.63 -0.46 -2.00 0.00 0.00 0.00 176.54 174.68 1rye h LEU 219 N 0.16 -1.14 -1.90 3.11 5.85 -1.15 0.32 115.31 120.57 1rye h LEU 219 Ca -0.00 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.81 1rye h LEU 219 Cb 0.97 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 1rye h LEU 219 CO 0.08 -0.73 0.14 -1.13 -0.34 0.00 0.00 178.44 176.46 1rye h ASN 220 N -1.18 0.12 -0.08 1.25 -0.73 -0.86 -2.37 115.58 111.73 1rye h ASN 220 Ca -0.11 -0.00 -0.05 0.00 1.87 0.00 0.00 56.30 58.01 1rye h ASN 220 Cb 0.93 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 39.50 1rye h ASN 220 CO 0.13 0.08 -0.15 1.23 -0.37 0.00 0.00 177.43 178.35 1rye h GLY 221 N 0.14 0.26 0.60 1.57 0.00 -0.32 -2.46 103.07 102.86 1rye h GLY 221 Ca 0.09 -0.31 0.15 0.00 0.00 0.00 0.00 47.33 47.26 1rye h GLY 221 CO -0.01 0.28 0.53 -0.84 0.00 0.00 0.00 176.54 176.50 1rye h THR 222 N -0.23 0.79 0.15 4.70 2.02 0.11 -0.51 112.91 119.94 1rye h THR 222 Ca 0.00 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 1rye h THR 222 Cb 0.73 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1rye h THR 222 CO 0.03 0.09 -0.07 0.03 0.37 0.00 0.00 175.52 175.97 1rye h ARG 223 N 0.48 -0.20 0.00 6.66 3.08 -1.34 -1.36 114.38 121.71 1rye h ARG 223 Ca 0.40 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.46 1rye h ARG 223 Cb 0.85 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.95 1rye h ARG 223 CO -0.15 0.20 0.00 2.48 -1.07 0.00 0.00 179.97 181.43 1rye n TYR 224 N -4.98 0.59 0.04 3.04 0.18 -0.94 -0.70 117.16 114.39 1rye n TYR 224 Ca -0.09 0.19 -0.22 0.00 1.88 0.00 0.00 57.90 59.66 1rye n TYR 224 Cb 0.25 -0.81 -0.14 0.00 -0.38 0.00 0.00 39.34 38.25 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 0.51 -0.41 -3.48 3.38 -1.12 -3.33 115.31 110.85 1rye h LEU 225 Ca 0.00 -0.90 -0.18 0.00 0.09 0.00 0.00 57.88 56.89 1rye h LEU 225 Cb 0.53 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1rye h LEU 225 CO 0.00 1.71 -0.78 -0.07 0.09 0.00 0.00 178.44 179.39 1rye h LEU 226 N -0.09 0.28 -0.47 1.67 3.38 -1.19 -3.48 115.31 115.41 1rye h LEU 226 Ca -0.32 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.44 1rye h LEU 226 Cb 1.94 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.60 1rye h LEU 226 CO 0.12 0.95 -0.00 0.61 0.09 0.00 0.00 178.44 180.21 1rye n GLY 227 N 0.66 0.65 3.84 0.83 0.00 0.12 -5.04 105.19 106.25 1rye n GLY 227 Ca -0.03 -0.79 -0.06 0.00 0.00 0.00 0.00 46.02 45.14 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 -4.48 1.73 0.15 1.61 -1.05 -1.12 -5.03 118.70 110.50 1rye s GLU 228 Ca 0.00 -1.10 0.06 0.00 -0.15 0.00 0.00 54.97 53.78 1rye s GLU 228 Cb -0.00 0.49 -0.04 0.00 -0.44 0.00 0.00 34.13 34.14 1rye s GLU 228 CO 0.00 -0.81 0.03 -1.21 0.95 0.00 0.00 175.26 174.23 1rye s GLU 229 N -2.38 2.57 -0.10 -4.83 0.41 -1.26 -4.59 118.70 108.51 1rye s GLU 229 Ca 0.18 -0.98 -0.28 0.00 -0.41 0.00 0.00 54.97 53.49 1rye s GLU 229 Cb -0.04 -2.48 -0.02 0.00 -1.78 0.00 0.00 34.13 29.81 1rye s GLU 229 CO 0.08 0.48 0.91 -1.25 -0.49 0.00 0.00 175.26 175.00 1rye s PRO 230 N -2.82 4.41 -0.03 0.39 0.04 -1.26 -4.21 135.00 131.53 1rye s PRO 230 Ca 0.28 1.22 0.05 0.00 0.04 0.00 0.00 61.00 62.59 1rye s PRO 230 Cb -0.10 -3.53 -0.24 0.00 0.04 0.00 0.00 34.50 30.67 1rye s PRO 230 CO 0.20 -0.23 0.73 -0.84 0.04 0.00 0.00 177.00 176.90 1rye h ILE 231 N 5.04 0.98 -4.13 0.56 3.07 -1.56 -3.39 117.51 118.07 1rye h ILE 231 Ca -0.33 -2.75 -0.49 0.00 1.55 0.00 0.00 64.86 62.84 1rye h ILE 231 Cb 1.16 2.57 -0.26 0.00 -0.27 0.00 0.00 36.82 40.01 1rye h ILE 231 CO 0.82 0.70 -0.81 -0.70 -1.05 0.00 0.00 178.15 177.10 1rye s GLU 232 N -2.61 1.13 0.02 0.16 2.12 -1.17 0.95 118.70 119.29 1rye s GLU 232 Ca -0.08 -0.72 0.02 0.00 0.36 0.00 0.00 54.97 54.55 1rye s GLU 232 Cb 0.08 -1.15 -0.01 0.00 0.26 0.00 0.00 34.13 33.30 1rye s GLU 232 CO 0.82 0.30 -0.08 0.08 -0.54 0.00 0.00 175.26 175.84 1rye s VAL 233 N -0.67 0.59 0.01 3.70 1.01 0.16 -2.09 120.40 123.11 1rye s VAL 233 Ca 0.04 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 1rye s VAL 233 Cb -0.07 -0.57 -0.01 0.00 0.00 0.00 0.00 36.38 35.73 1rye s VAL 233 CO 0.01 -0.10 -0.00 -0.13 0.00 0.00 0.00 175.10 174.88 1rye s ARG 234 N -0.86 0.29 0.24 2.72 0.52 0.03 -0.01 118.95 121.87 1rye s ARG 234 Ca -0.03 -0.49 -0.22 0.00 -0.52 0.00 0.00 55.73 54.48 1rye s ARG 234 Cb -0.06 0.10 0.04 0.00 0.52 0.00 0.00 34.95 35.55 1rye s ARG 234 CO 0.00 -0.05 0.68 0.00 0.02 0.00 0.00 175.30 175.95 1rye s ALA 235 N -1.23 -1.36 -0.13 2.13 0.00 -1.26 -0.26 121.76 119.65 1rye s ALA 235 Ca -0.13 -0.02 -0.17 0.00 0.00 0.00 0.00 51.96 51.64 1rye s ALA 235 Cb -0.08 0.86 0.04 0.00 0.00 0.00 0.00 23.12 23.94 1rye s ALA 235 CO -0.01 -0.94 0.44 -0.47 0.00 0.00 0.00 175.76 174.78 1rye s TYR 236 N -3.86 -0.44 -0.00 0.00 5.04 -0.24 -3.70 117.35 114.15 1rye s TYR 236 Ca 0.07 1.00 0.01 0.00 -2.44 0.00 0.00 57.07 55.71 1rye s TYR 236 Cb -0.04 0.17 -0.00 0.00 0.35 0.00 0.00 41.96 42.44 1rye s TYR 236 CO -0.00 -0.30 -0.04 -0.08 -1.34 0.00 0.00 175.55 173.79 1rye s THR 237 N -0.22 0.29 -0.00 4.34 -1.32 -1.26 -0.20 115.64 117.26 1rye s THR 237 Ca -0.04 -0.15 0.00 0.00 -1.21 0.00 0.00 61.69 60.29 1rye s THR 237 Cb -0.03 -0.25 0.00 0.00 -1.51 0.00 0.00 72.50 70.71 1rye s THR 237 CO 0.02 0.08 -0.01 -0.47 -2.21 0.00 0.00 174.62 172.04 1rye s TYR 238 N -0.07 0.10 -0.01 9.09 6.14 -0.31 -5.00 117.35 127.29 1rye s TYR 238 Ca 0.01 -0.01 -0.01 0.00 0.64 0.00 0.00 57.07 57.70 1rye s TYR 238 Cb -0.02 -0.08 -0.00 0.00 0.42 0.00 0.00 41.96 42.29 1rye s TYR 238 CO -0.00 -0.01 0.03 -1.12 0.64 0.00 0.00 175.55 175.09 1rye s SER 239 N 0.04 0.01 -0.05 4.32 0.01 -1.26 -2.76 113.70 114.01 1rye s SER 239 Ca -0.00 -0.04 -0.30 0.00 1.31 0.00 0.00 55.95 56.91 1rye s SER 239 Cb -0.01 0.09 -0.09 0.00 0.21 0.00 0.00 66.02 66.22 1rye s SER 239 CO -0.00 -0.09 2.03 -0.67 0.41 0.00 0.00 173.24 174.92 1rye n ASP 240 N 2.70 3.81 0.32 2.44 -0.08 -1.26 -4.84 116.55 119.64 1rye n ASP 240 Ca -0.15 0.74 0.20 0.00 -1.51 0.00 0.00 54.79 54.07 1rye n ASP 240 Cb 0.59 -1.50 1.11 0.00 2.34 0.00 0.00 41.12 43.65 1rye n ASP 240 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1rye h PRO 241 N 11.48 0.00 -0.02 -0.67 0.13 -1.99 -2.25 132.00 138.68 1rye h PRO 241 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1rye h PRO 241 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1rye h PRO 241 CO 0.95 0.00 -0.26 0.09 -0.23 0.00 0.00 178.00 178.55 1rye n ASN 242 N -3.28 1.89 -4.54 1.44 3.02 -1.26 -4.87 115.26 107.66 1rye n ASN 242 Ca -0.03 -1.45 -0.43 0.00 -0.03 0.00 0.00 54.58 52.65 1rye n ASN 242 Cb 0.11 0.22 -0.06 0.00 -0.61 0.00 0.00 39.78 39.44 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 -2.32 6.41 0.37 6.41 -1.08 -0.85 -4.93 116.67 120.67 1rye s ASP 243 Ca 0.25 -0.08 0.22 0.00 -0.52 0.00 0.00 52.55 52.42 1rye s ASP 243 Cb 0.19 -2.36 1.22 0.00 -1.46 0.00 0.00 42.92 40.51 1rye s ASP 243 CO 0.47 -0.82 1.66 -0.33 0.52 0.00 0.00 175.17 176.68 1rye h GLU 244 N 8.83 0.00 0.00 4.34 3.07 -1.89 -2.15 114.58 126.77 1rye h GLU 244 Ca -0.25 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.56 1rye h GLU 244 Cb 1.09 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.00 1rye h GLU 244 CO 0.92 0.00 -0.25 0.00 -1.40 0.00 0.00 179.01 178.28 1rye h ARG 245 N 0.00 0.00 -0.87 2.33 3.08 -1.95 -3.31 114.38 113.66 1rye h ARG 245 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 1rye h ARG 245 Cb 0.15 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 29.80 1rye h ARG 245 CO 0.00 0.25 -0.50 1.19 -1.07 0.00 0.00 179.97 179.84 1rye n PHE 246 N -3.35 2.89 0.13 3.04 3.72 -0.81 -4.66 117.46 118.42 1rye n PHE 246 Ca 0.01 -2.43 0.01 0.00 -0.05 0.00 0.00 57.45 54.99 1rye n PHE 246 Cb 0.47 -0.52 0.09 0.00 -0.94 0.00 0.00 39.48 38.58 1rye n PHE 246 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1rye h VAL 247 N 2.01 1.14 0.00 -4.37 2.07 -1.73 -3.38 116.25 111.98 1rye h VAL 247 Ca 0.41 -2.31 -0.02 0.00 0.82 0.00 0.00 66.70 65.60 1rye h VAL 247 Cb 1.35 2.36 -0.00 0.00 -1.52 0.00 0.00 31.29 33.48 1rye h VAL 247 CO 0.92 0.59 -1.07 -0.62 0.02 0.00 0.00 177.57 177.41 1rye n GLU 248 N -3.40 1.17 -3.22 1.57 1.02 -1.26 -5.06 120.64 111.45 1rye n GLU 248 Ca 0.01 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.96 1rye n GLU 248 Cb 0.71 -1.03 0.00 0.00 -0.02 0.00 0.00 31.44 31.11 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 -2.02 2.74 0.00 2.62 -7.23 -1.26 -4.71 120.40 110.55 1rye s VAL 249 Ca -0.01 -1.13 -0.00 0.00 -1.81 0.00 0.00 61.98 59.03 1rye s VAL 249 Cb 0.00 -2.87 -0.04 0.00 0.56 0.00 0.00 36.38 34.03 1rye s VAL 249 CO 0.03 0.00 0.10 -1.83 -0.31 0.00 0.00 175.10 173.09 1rye s GLU 250 N -4.31 3.10 0.00 4.82 1.03 -1.26 -4.50 118.70 117.57 1rye s GLU 250 Ca 0.53 -0.48 0.00 0.00 0.03 0.00 0.00 54.97 55.04 1rye s GLU 250 Cb -0.07 -2.88 0.00 0.00 -0.80 0.00 0.00 34.13 30.38 1rye s GLU 250 CO 0.32 0.64 0.00 -3.47 -1.33 0.00 0.00 175.26 171.42 1rye n ASP 251 N 1.07 0.00 -4.49 0.83 2.03 -1.26 -2.82 116.55 111.90 1rye n ASP 251 Ca -0.12 0.46 -0.33 0.00 0.52 0.00 0.00 54.79 55.32 1rye n ASP 251 Cb 0.53 -0.47 -0.13 0.00 -0.72 0.00 0.00 41.12 40.33 1rye n ASP 251 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1rye s ARG 252 N -0.94 2.48 -0.05 -0.67 3.00 -1.11 -2.55 118.95 119.11 1rye s ARG 252 Ca 0.00 -0.71 -0.03 0.00 0.00 0.00 0.00 55.73 54.98 1rye s ARG 252 Cb 0.00 -2.39 0.02 0.00 0.00 0.00 0.00 34.95 32.58 1rye s ARG 252 CO 0.00 0.62 0.12 -1.50 0.00 0.00 0.00 175.30 174.53 1rye s ILE 253 N -0.78 -0.02 -0.07 1.52 2.07 -1.09 -1.16 121.20 121.67 1rye s ILE 253 Ca 0.12 0.07 0.04 0.00 -1.41 0.00 0.00 60.65 59.47 1rye s ILE 253 Cb -0.11 -0.18 -0.01 0.00 0.13 0.00 0.00 42.46 42.29 1rye s ILE 253 CO 0.02 0.03 -0.21 -0.63 -1.91 0.00 0.00 174.94 172.24 1rye s ILE 254 N 0.45 2.45 0.00 2.00 1.01 0.72 -2.46 121.20 125.37 1rye s ILE 254 Ca -0.03 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.72 1rye s ILE 254 Cb -0.05 -1.94 -0.01 0.00 0.01 0.00 0.00 42.46 40.48 1rye s ILE 254 CO -0.02 0.56 -0.07 -1.66 0.00 0.00 0.00 174.94 173.76 1rye s TRP 255 N -0.15 0.58 -0.00 3.97 -2.14 -0.39 -1.07 118.94 119.75 1rye s TRP 255 Ca -0.03 -0.15 0.08 0.00 2.66 0.00 0.00 56.10 58.66 1rye s TRP 255 Cb -0.14 -0.37 -0.02 0.00 -3.10 0.00 0.00 33.47 29.84 1rye s TRP 255 CO 0.04 -0.02 -0.25 -1.14 -2.66 0.00 0.00 176.95 172.93 1rye s GLN 256 N -0.31 1.91 0.06 3.25 -0.44 0.63 -1.42 119.66 123.34 1rye s GLN 256 Ca 0.01 -0.92 0.01 0.00 -2.50 0.00 0.00 55.36 51.96 1rye s GLN 256 Cb -0.03 -1.90 -0.03 0.00 -1.64 0.00 0.00 33.01 29.41 1rye s GLN 256 CO -0.00 0.51 -0.06 -1.64 0.50 0.00 0.00 175.29 174.61 1rye s MET 257 N -0.74 0.59 0.02 1.67 -1.94 -0.52 -0.79 119.30 117.59 1rye s MET 257 Ca 0.10 -0.98 0.07 0.00 -1.71 0.00 0.00 55.69 53.17 1rye s MET 257 Cb -0.09 -0.10 -0.02 0.00 2.01 0.00 0.00 34.83 36.62 1rye s MET 257 CO -0.00 -0.02 -0.21 0.50 -0.01 0.00 0.00 175.02 175.28 1rye s ARG 258 N -2.61 1.56 0.37 2.03 3.52 -0.89 -1.91 118.95 121.02 1rye s ARG 258 Ca -0.02 -0.87 0.08 0.00 -0.13 0.00 0.00 55.73 54.79 1rye s ARG 258 Cb -0.02 -1.61 -0.05 0.00 -1.56 0.00 0.00 34.95 31.71 1rye s ARG 258 CO -0.03 0.42 0.10 -0.06 -0.81 0.00 0.00 175.30 174.92 1rye s PHE 259 N -0.66 2.60 0.17 5.12 0.40 -0.58 -1.49 117.98 123.54 1rye s PHE 259 Ca 0.08 -0.48 -0.16 0.00 -0.60 0.00 0.00 56.93 55.76 1rye s PHE 259 Cb -0.09 -1.69 0.11 0.00 0.51 0.00 0.00 43.02 41.86 1rye s PHE 259 CO 0.01 0.35 1.67 -0.09 0.70 0.00 0.00 175.22 177.86 1rye h ARG 260 N 1.62 0.02 -0.02 0.44 9.65 -1.89 -0.86 114.38 123.34 1rye h ARG 260 Ca -0.43 -0.00 0.01 0.00 -1.10 0.00 0.00 59.98 58.46 1rye h ARG 260 Cb 1.25 -0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.83 1rye h ARG 260 CO 0.68 0.02 0.05 0.66 2.80 0.00 0.00 179.97 184.18 1rye h SER 261 N 0.02 0.00 0.00 -3.80 4.64 -1.96 -3.45 113.55 109.01 1rye h SER 261 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1rye h SER 261 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1rye h SER 261 CO -0.41 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.16 1rye n GLY 262 N -1.21 0.71 3.77 -0.77 0.00 -0.33 -5.09 105.19 102.27 1rye n GLY 262 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.00 2.68 0.34 4.61 0.00 -1.26 -4.74 121.76 121.39 1rye s ALA 263 Ca 0.00 0.82 0.07 0.00 0.00 0.00 0.00 51.96 52.85 1rye s ALA 263 Cb 0.00 -3.36 -0.07 0.00 0.00 0.00 0.00 23.12 19.69 1rye s ALA 263 CO 0.00 -0.81 -0.03 -0.51 0.00 0.00 0.00 175.76 174.41 1rye s LEU 264 N -3.87 2.63 -0.08 0.00 1.43 -0.24 -1.53 118.68 117.03 1rye s LEU 264 Ca 0.73 -1.27 -0.23 0.00 -1.03 0.00 0.00 54.13 52.32 1rye s LEU 264 Cb -0.24 -0.79 0.05 0.00 0.03 0.00 0.00 46.19 45.24 1rye s LEU 264 CO 0.28 -0.37 0.54 -0.94 0.23 0.00 0.00 176.35 176.09 1rye s SER 265 N -3.58 -0.50 -0.03 2.29 1.04 -0.80 -1.46 113.70 110.66 1rye s SER 265 Ca 0.33 0.62 0.00 0.00 0.48 0.00 0.00 55.95 57.38 1rye s SER 265 Cb 0.06 0.61 0.03 0.00 0.10 0.00 0.00 66.02 66.82 1rye s SER 265 CO 0.16 -0.46 0.00 -1.38 0.98 0.00 0.00 173.24 172.54 1rye s HIS 266 N -0.89 0.28 0.31 5.02 -3.43 -0.25 -1.44 115.29 114.89 1rye s HIS 266 Ca -0.09 0.02 0.01 0.00 -0.80 0.00 0.00 55.06 54.20 1rye s HIS 266 Cb -0.03 -0.39 -0.02 0.00 -1.43 0.00 0.00 32.58 30.72 1rye s HIS 266 CO 0.06 -0.12 0.35 0.20 -2.00 0.00 0.00 174.74 173.22 1rye s GLY 267 N 1.03 1.80 0.04 -1.38 0.00 -0.51 -1.92 107.32 106.38 1rye s GLY 267 Ca -0.10 -1.75 -0.27 0.00 0.00 0.00 0.00 44.72 42.60 1rye s GLY 267 CO -0.02 -1.24 0.78 0.00 0.00 0.00 0.00 173.10 172.63 1rye s ALA 268 N -3.41 -1.75 0.07 3.20 0.00 -0.65 -1.26 121.76 117.96 1rye s ALA 268 Ca 0.36 0.89 0.04 0.00 0.00 0.00 0.00 51.96 53.25 1rye s ALA 268 Cb 0.02 0.48 -0.03 0.00 0.00 0.00 0.00 23.12 23.59 1rye s ALA 268 CO 0.22 -0.67 -0.13 -1.54 0.00 0.00 0.00 175.76 173.64 1rye s SER 269 N -2.41 1.51 0.01 0.00 1.04 -1.03 -2.03 113.70 110.78 1rye s SER 269 Ca 0.02 -0.62 -0.01 0.00 0.48 0.00 0.00 55.95 55.83 1rye s SER 269 Cb -0.01 -0.03 -0.01 0.00 0.10 0.00 0.00 66.02 66.07 1rye s SER 269 CO -0.09 -0.11 0.01 -0.55 0.98 0.00 0.00 173.24 173.48 1rye s SER 270 N -1.75 0.10 0.00 7.02 0.15 -0.89 -2.66 113.70 115.68 1rye s SER 270 Ca -0.03 -0.23 0.07 0.00 0.70 0.00 0.00 55.95 56.46 1rye s SER 270 Cb -0.10 0.08 0.16 0.00 -1.71 0.00 0.00 66.02 64.46 1rye s SER 270 CO 0.02 -0.17 1.05 -1.22 1.20 0.00 0.00 173.24 174.11 1rye n TYR 271 N 2.26 0.22 -0.45 3.44 4.01 -1.06 -2.33 117.16 123.24 1rye n TYR 271 Ca -0.18 -0.36 0.00 0.00 -0.16 0.00 0.00 57.90 57.20 1rye n TYR 271 Cb 0.57 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.58 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 0.24 1.09 -4.27 7.72 3.41 -1.25 -0.34 113.62 120.21 1rye n SER 272 Ca 0.07 -1.54 -0.25 0.00 -0.26 0.00 0.00 58.87 56.89 1rye n SER 272 Cb 0.32 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.13 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 -0.54 1.72 1.23 6.66 -4.23 -1.26 -4.85 115.64 114.37 1rye s THR 273 Ca 0.00 -1.39 -0.14 0.00 -1.18 0.00 0.00 61.69 58.98 1rye s THR 273 Cb 0.00 -1.53 0.32 0.00 1.34 0.00 0.00 72.50 72.63 1rye s THR 273 CO 0.00 0.08 1.00 0.42 -0.54 0.00 0.00 174.62 175.58 1rye s THR 274 N -0.98 1.90 0.03 3.99 -4.23 -1.26 -2.21 115.64 112.88 1rye s THR 274 Ca 0.07 0.00 -0.38 0.00 -1.18 0.00 0.00 61.69 60.20 1rye s THR 274 Cb -0.09 -2.01 -0.19 0.00 1.34 0.00 0.00 72.50 71.54 1rye s THR 274 CO 0.03 0.00 1.01 0.41 -0.54 0.00 0.00 174.62 175.53 1rye n THR 275 N -5.15 0.27 -3.66 3.99 -1.04 -1.24 -4.09 114.28 103.36 1rye n THR 275 Ca 0.03 -0.07 -0.11 0.00 -2.04 0.00 0.00 64.05 61.87 1rye n THR 275 Cb 0.55 -0.03 -0.08 0.00 -1.82 0.00 0.00 70.33 68.94 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 -0.12 -0.01 -0.44 12.58 2.01 -0.83 -4.89 115.64 123.95 1rye s THR 276 Ca 0.87 0.02 0.05 0.00 0.31 0.00 0.00 61.69 62.94 1rye s THR 276 Cb -1.21 -0.85 0.17 0.00 0.01 0.00 0.00 72.50 70.62 1rye s THR 276 CO 0.57 0.01 0.53 -0.55 -0.69 0.00 0.00 174.62 174.48 1rye s SER 277 N 1.01 -0.12 -0.08 3.53 0.15 -1.23 -1.29 113.70 115.68 1rye s SER 277 Ca -0.05 -1.85 0.00 0.00 0.70 0.00 0.00 55.95 54.75 1rye s SER 277 Cb -0.05 1.03 0.02 0.00 -1.71 0.00 0.00 66.02 65.31 1rye s SER 277 CO -0.09 -0.15 -0.06 -0.60 1.20 0.00 0.00 173.24 173.54 1rye s ARG 278 N 0.99 1.14 0.23 5.44 3.52 -0.71 -0.05 118.95 129.51 1rye s ARG 278 Ca 0.25 -0.15 0.11 0.00 -0.13 0.00 0.00 55.73 55.81 1rye s ARG 278 Cb -0.04 -1.21 -0.05 0.00 -1.56 0.00 0.00 34.95 32.10 1rye s ARG 278 CO -0.08 -0.18 -0.18 -0.06 -0.81 0.00 0.00 175.30 173.99 1rye s PHE 279 N 1.40 2.39 -0.12 5.12 0.08 -0.70 -1.36 117.98 124.79 1rye s PHE 279 Ca -0.02 -0.31 -0.08 0.00 0.12 0.00 0.00 56.93 56.63 1rye s PHE 279 Cb -0.13 -1.12 0.04 0.00 -0.57 0.00 0.00 43.02 41.24 1rye s PHE 279 CO -0.03 0.59 0.30 0.45 -0.10 0.00 0.00 175.22 176.42 1rye s SER 280 N -3.07 -0.33 -0.17 1.36 0.15 0.22 -1.79 113.70 110.07 1rye s SER 280 Ca 0.26 0.62 -0.00 0.00 0.70 0.00 0.00 55.95 57.53 1rye s SER 280 Cb -0.07 0.56 0.04 0.00 -1.71 0.00 0.00 66.02 64.84 1rye s SER 280 CO 0.13 -0.14 -0.06 -0.69 1.20 0.00 0.00 173.24 173.68 1rye s VAL 281 N 0.81 1.14 -0.21 4.45 1.01 -0.50 -0.61 120.40 126.50 1rye s VAL 281 Ca -0.05 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.20 1rye s VAL 281 Cb -0.06 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.97 1rye s VAL 281 CO -0.05 0.14 0.12 -1.10 0.00 0.00 0.00 175.10 174.21 1rye s GLN 282 N 1.62 4.08 0.52 2.72 -0.21 0.12 -0.22 119.66 128.29 1rye s GLN 282 Ca 0.01 -0.27 0.01 0.00 0.02 0.00 0.00 55.36 55.12 1rye s GLN 282 Cb -0.15 -3.40 -0.01 0.00 1.00 0.00 0.00 33.01 30.46 1rye s GLN 282 CO -0.08 0.21 0.00 0.20 -2.12 0.00 0.00 175.29 173.51 1rye s GLY 283 N 0.59 3.08 0.00 3.09 0.00 0.06 -0.69 107.32 113.45 1rye s GLY 283 Ca 0.07 -0.19 0.27 0.00 0.00 0.00 0.00 44.72 44.86 1rye s GLY 283 CO 0.01 -2.21 1.69 2.09 0.00 0.00 0.00 173.10 174.68 1rye n ASP 284 N -1.29 1.06 -0.07 1.64 5.75 -0.47 -3.87 116.55 119.30 1rye n ASP 284 Ca -0.20 -1.04 -0.07 0.00 -0.01 0.00 0.00 54.79 53.47 1rye n ASP 284 Cb 0.67 0.06 -0.10 0.00 -1.03 0.00 0.00 41.12 40.72 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 -0.44 1.71 -3.73 0.11 4.81 -0.54 -4.95 118.16 115.14 1rye n LYS 285 Ca 0.15 0.01 -0.00 0.00 -0.87 0.00 0.00 58.31 57.60 1rye n LYS 285 Cb 0.33 -1.32 -0.00 0.00 0.02 0.00 0.00 35.03 34.06 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 -2.31 -2.05 -0.02 3.14 0.00 -0.89 -4.52 121.76 115.11 1rye s ALA 286 Ca -0.08 0.34 0.08 0.00 0.00 0.00 0.00 51.96 52.29 1rye s ALA 286 Cb 0.04 0.55 -0.02 0.00 0.00 0.00 0.00 23.12 23.69 1rye s ALA 286 CO 0.50 -1.07 -0.25 0.08 0.00 0.00 0.00 175.76 175.02 1rye s VAL 287 N -2.55 1.94 -0.10 0.00 1.01 -0.40 -0.76 120.40 119.55 1rye s VAL 287 Ca 0.17 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 1rye s VAL 287 Cb 0.02 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1rye s VAL 287 CO -0.01 0.55 -0.03 -0.22 0.00 0.00 0.00 175.10 175.39 1rye s LEU 288 N -0.56 3.36 -0.10 3.92 2.96 0.69 -1.15 118.68 127.80 1rye s LEU 288 Ca 0.09 0.02 0.03 0.00 -0.22 0.00 0.00 54.13 54.05 1rye s LEU 288 Cb -0.10 -1.77 0.01 0.00 0.50 0.00 0.00 46.19 44.84 1rye s LEU 288 CO -0.01 0.32 -0.19 -0.22 -1.32 0.00 0.00 176.35 174.94 1rye s LEU 289 N -0.56 1.90 -0.25 -0.68 2.96 0.29 -1.40 118.68 120.95 1rye s LEU 289 Ca 0.09 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.53 1rye s LEU 289 Cb -0.12 -1.21 0.04 0.00 0.50 0.00 0.00 46.19 45.41 1rye s LEU 289 CO 0.02 0.08 -0.11 -0.04 -1.32 0.00 0.00 176.35 174.99 1rye s MET 290 N 0.66 2.52 -0.30 1.98 -1.94 -0.74 0.79 119.30 122.27 1rye s MET 290 Ca -0.13 -1.17 -0.05 0.00 -1.71 0.00 0.00 55.69 52.63 1rye s MET 290 Cb -0.16 -2.88 0.19 0.00 2.01 0.00 0.00 34.83 33.99 1rye s MET 290 CO 0.03 -0.47 0.79 0.34 -0.01 0.00 0.00 175.02 175.70 1rye s ASP 291 N 1.20 -1.02 0.61 3.03 2.15 0.49 -1.72 116.67 121.41 1rye s ASP 291 Ca -0.04 0.52 -0.19 0.00 0.43 0.00 0.00 52.55 53.27 1rye s ASP 291 Cb -0.18 1.81 -0.03 0.00 -0.30 0.00 0.00 42.92 44.22 1rye s ASP 291 CO -0.06 -0.19 1.24 -2.84 -0.17 0.00 0.00 175.17 173.15 1rye s PRO 292 N 2.90 2.82 -0.27 4.34 0.02 -1.26 -4.27 135.00 139.29 1rye s PRO 292 Ca 0.13 1.92 -0.08 0.00 0.02 0.00 0.00 61.00 62.99 1rye s PRO 292 Cb -0.12 -1.90 -0.14 0.00 0.02 0.00 0.00 34.50 32.36 1rye s PRO 292 CO -0.18 -1.35 -0.29 0.00 -0.33 0.00 0.00 177.00 174.85 1rye n ALA 293 N -1.69 1.28 -2.51 -1.55 0.00 0.93 -2.49 120.51 114.48 1rye n ALA 293 Ca 0.14 -1.09 -0.17 0.00 0.00 0.00 0.00 53.44 52.32 1rye n ALA 293 Cb 0.49 0.02 0.02 0.00 0.00 0.00 0.00 19.45 19.98 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 -3.85 1.81 -2.14 0.00 -2.24 -1.26 -4.85 114.28 101.75 1rye n THR 294 Ca -0.51 -3.97 -0.22 0.00 -2.27 0.00 0.00 64.05 57.08 1rye n THR 294 Cb 0.93 -0.31 0.14 0.00 -2.10 0.00 0.00 70.33 68.99 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 -0.39 -0.46 0.18 3.38 0.00 -1.26 -4.99 105.19 101.65 1rye n GLY 295 Ca 0.26 -1.85 0.08 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.14 0.00 -2.43 1.61 0.05 -2.01 -3.47 116.97 109.58 1rye h TYR 296 Ca -0.32 0.00 0.16 0.00 0.05 0.00 0.00 58.73 58.62 1rye h TYR 296 Cb 1.01 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.68 1rye h TYR 296 CO 0.00 0.19 0.45 1.52 -1.05 0.00 0.00 178.16 179.27 1rye s TYR 297 N -3.13 -0.13 -0.69 4.88 1.13 -1.26 -4.93 117.35 113.22 1rye s TYR 297 Ca 0.05 -0.20 0.00 0.00 -1.41 0.00 0.00 57.07 55.51 1rye s TYR 297 Cb 0.06 0.65 0.00 0.00 -1.10 0.00 0.00 41.96 41.58 1rye s TYR 297 CO 0.71 -0.89 0.00 1.04 -2.51 0.00 0.00 175.55 173.91 1rye n GLN 298 N -0.48 -1.02 -1.68 -3.49 1.13 -1.26 -4.95 117.38 105.64 1rye n GLN 298 Ca -0.06 0.63 -0.45 0.00 -1.94 0.00 0.00 57.00 55.19 1rye n GLN 298 Cb 0.60 -4.60 -0.03 0.00 0.11 0.00 0.00 30.24 26.33 1rye n GLN 298 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1rye n ASN 299 N -0.29 2.90 -4.15 1.08 3.02 -1.26 -4.59 115.26 111.95 1rye n ASN 299 Ca -0.07 1.13 -0.24 0.00 -0.03 0.00 0.00 54.58 55.38 1rye n ASN 299 Cb 0.36 -1.44 -0.15 0.00 -0.61 0.00 0.00 39.78 37.94 1rye n ASN 299 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1rye s LEU 300 N 0.21 2.06 0.14 3.41 1.43 -1.04 -4.92 118.68 119.97 1rye s LEU 300 Ca 0.70 -0.33 0.06 0.00 -1.03 0.00 0.00 54.13 53.53 1rye s LEU 300 Cb -0.64 -0.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 1rye s LEU 300 CO 0.47 0.18 -0.14 0.27 0.23 0.00 0.00 176.35 177.36 1rye s ILE 301 N -0.48 1.39 -0.16 -0.59 -4.36 -1.26 -0.38 121.20 115.36 1rye s ILE 301 Ca 0.06 -1.83 -0.13 0.00 -0.26 0.00 0.00 60.65 58.48 1rye s ILE 301 Cb -0.07 -1.65 0.05 0.00 1.25 0.00 0.00 42.46 42.04 1rye s ILE 301 CO -0.00 -0.47 0.42 -0.55 0.24 0.00 0.00 174.94 174.57 1rye s SER 302 N -2.66 -0.46 -0.11 4.36 0.15 0.24 -4.98 113.70 110.24 1rye s SER 302 Ca 0.12 0.86 0.02 0.00 0.70 0.00 0.00 55.95 57.65 1rye s SER 302 Cb -0.03 0.83 -0.01 0.00 -1.71 0.00 0.00 66.02 65.10 1rye s SER 302 CO 0.03 -0.16 -0.16 -0.69 1.20 0.00 0.00 173.24 173.46 1rye s VAL 303 N 0.56 2.77 -0.02 4.45 1.01 -1.26 0.11 120.40 128.01 1rye s VAL 303 Ca -0.03 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.19 1rye s VAL 303 Cb -0.04 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.22 1rye s VAL 303 CO -0.03 0.54 -0.06 -1.10 0.00 0.00 0.00 175.10 174.45 1rye s GLN 304 N 0.15 0.69 0.30 2.72 -0.21 -0.30 -5.00 119.66 118.01 1rye s GLN 304 Ca -0.09 -0.18 0.08 0.00 0.02 0.00 0.00 55.36 55.19 1rye s GLN 304 Cb -0.15 -0.68 -0.04 0.00 1.00 0.00 0.00 33.01 33.14 1rye s GLN 304 CO 0.05 0.05 0.15 0.95 -2.12 0.00 0.00 175.29 174.37 1rye s THR 305 N 0.33 3.60 0.00 -0.19 -4.23 -1.26 -1.27 115.64 112.62 1rye s THR 305 Ca -0.04 -1.60 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 1rye s THR 305 Cb -0.08 -3.10 0.00 0.00 1.34 0.00 0.00 72.50 70.65 1rye s THR 305 CO 0.00 -0.27 0.00 -2.65 -0.54 0.00 0.00 174.62 171.16 1rye n PRO 306 N -1.15 0.00 -3.81 3.99 -0.02 -1.26 -5.02 135.00 127.73 1rye n PRO 306 Ca -0.05 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.15 1rye n PRO 306 Cb 0.59 -0.64 -0.12 0.00 -0.02 0.00 0.00 33.50 33.31 1rye n PRO 306 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1rye s PRO 320 N 0.00 1.91 0.39 0.52 0.02 -1.26 -5.19 135.00 131.40 1rye s PRO 320 Ca 0.00 -2.74 0.08 0.00 0.02 0.00 0.00 61.00 58.35 1rye s PRO 320 Cb 0.00 -2.92 -0.05 0.00 0.02 0.00 0.00 34.50 31.55 1rye s PRO 320 CO 0.00 -1.23 0.19 0.00 -0.33 0.00 0.00 177.00 175.63 1rye s ALA 321 N -0.62 3.60 0.73 -1.55 0.00 -1.26 -5.11 121.76 117.55 1rye s ALA 321 Ca 0.22 -2.02 -0.14 0.00 0.00 0.00 0.00 51.96 50.02 1rye s ALA 321 Cb -0.13 -0.52 0.04 0.00 0.00 0.00 0.00 23.12 22.51 1rye s ALA 321 CO -0.10 -0.12 1.15 1.21 0.00 0.00 0.00 175.76 177.91 1rye s ASN 322 N -3.91 4.41 0.65 0.00 3.84 -1.26 -4.97 114.94 113.70 1rye s ASN 322 Ca 0.41 2.15 -0.17 0.00 0.21 0.00 0.00 52.86 55.46 1rye s ASN 322 Cb 0.02 -2.57 -0.00 0.00 -0.55 0.00 0.00 41.25 38.15 1rye s ASN 322 CO 0.23 -2.11 1.25 0.54 -2.79 0.00 0.00 177.10 174.22 1rye s ASN 323 N -2.45 4.65 0.16 -4.21 2.20 -1.26 -4.68 114.94 109.35 1rye s ASN 323 Ca 0.69 2.50 -0.24 0.00 -0.94 0.00 0.00 52.86 54.87 1rye s ASN 323 Cb -0.24 -2.61 0.04 0.00 -2.00 0.00 0.00 41.25 36.44 1rye s ASN 323 CO 0.46 -1.97 1.59 0.06 -2.94 0.00 0.00 177.10 174.31 1rye h GLN 324 N 0.42 -0.28 -0.85 3.55 3.07 -1.90 -1.54 115.11 117.58 1rye h GLN 324 Ca -0.50 0.02 0.18 0.00 0.09 0.00 0.00 58.65 58.44 1rye h GLN 324 Cb 1.32 0.06 -0.16 0.00 0.08 0.00 0.00 27.48 28.78 1rye h GLN 324 CO 0.53 -0.19 -0.16 0.74 0.09 0.00 0.00 178.83 179.84 1rye h PHE 325 N -0.29 -0.36 -0.11 0.06 0.04 -1.88 -0.39 116.94 114.01 1rye h PHE 325 Ca 0.16 0.07 -0.06 0.00 2.80 0.00 0.00 57.97 60.94 1rye h PHE 325 Cb 0.56 0.29 -0.00 0.00 2.20 0.00 0.00 35.95 39.00 1rye h PHE 325 CO -0.55 -0.36 -0.16 0.77 -0.60 0.00 0.00 178.31 177.41 1rye h SER 326 N 0.01 0.32 -0.98 2.17 0.02 -1.59 -3.17 113.55 110.34 1rye h SER 326 Ca 0.43 -0.53 0.16 0.00 -0.84 0.00 0.00 61.79 61.01 1rye h SER 326 Cb 0.70 -0.09 -0.09 0.00 0.14 0.00 0.00 62.40 63.05 1rye h SER 326 CO -0.85 0.79 0.61 0.00 -1.14 0.00 0.00 176.83 176.24 1rye h ALA 327 N 0.55 1.69 0.11 3.77 0.00 -0.22 -2.14 119.26 123.01 1rye h ALA 327 Ca 0.01 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1rye h ALA 327 Cb 0.72 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1rye h ALA 327 CO 0.04 0.01 -0.06 0.37 0.00 0.00 0.00 179.25 179.60 1rye h GLN 328 N 0.81 -0.16 -0.86 0.00 4.15 -1.10 -2.39 115.11 115.56 1rye h GLN 328 Ca 0.53 0.01 0.21 0.00 0.77 0.00 0.00 58.65 60.16 1rye h GLN 328 Cb 0.76 0.04 -0.12 0.00 0.21 0.00 0.00 27.48 28.36 1rye h GLN 328 CO -0.30 -0.10 0.33 -0.07 -1.93 0.00 0.00 178.83 176.75 1rye h LEU 329 N -0.16 0.22 -0.75 -2.39 3.38 -1.52 0.27 115.31 114.36 1rye h LEU 329 Ca -0.01 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1rye h LEU 329 Cb 0.13 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1rye h LEU 329 CO 0.02 -0.02 0.00 0.47 0.09 0.00 0.00 178.44 179.00 1rye n ASP 330 N -5.09 0.90 -0.12 -0.43 10.43 -0.82 -3.27 116.55 118.16 1rye n ASP 330 Ca 0.20 -2.04 -0.23 0.00 2.57 0.00 0.00 54.79 55.29 1rye n ASP 330 Cb 0.60 -0.29 -0.11 0.00 1.84 0.00 0.00 41.12 43.16 1rye n ASP 330 CO 0.00 0.00 0.00 1.57 -1.07 0.00 0.00 177.20 177.70 1rye n HIS 331 N -0.12 0.21 0.16 1.24 -0.00 0.94 -3.51 115.22 114.13 1rye n HIS 331 Ca 0.02 0.06 -0.14 0.00 0.46 0.00 0.00 57.72 58.13 1rye n HIS 331 Cb 0.20 -1.02 -0.06 0.00 -0.12 0.00 0.00 29.99 28.98 1rye n HIS 331 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1rye h LEU 332 N -0.45 -0.61 -0.52 0.27 5.85 -1.55 0.14 115.31 118.43 1rye h LEU 332 Ca -0.59 0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.29 1rye h LEU 332 Cb 1.76 0.21 -0.09 0.00 0.37 0.00 0.00 40.66 42.91 1rye h LEU 332 CO -0.21 -0.33 -0.02 0.00 -0.34 0.00 0.00 178.44 177.54 1rye h ALA 333 N 0.22 0.47 -0.21 1.25 0.00 -1.76 -1.82 119.26 117.41 1rye h ALA 333 Ca -0.00 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1rye h ALA 333 Cb 0.45 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1rye h ALA 333 CO -0.06 -0.40 0.05 0.93 0.00 0.00 0.00 179.25 179.77 1rye h GLU 334 N 0.10 0.34 0.08 0.00 5.08 -1.50 -2.45 114.58 116.23 1rye h GLU 334 Ca 0.26 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.56 1rye h GLU 334 Cb 0.40 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.56 1rye h GLU 334 CO -0.45 0.47 -0.38 0.00 -1.00 0.00 0.00 179.01 177.64 1rye h ALA 335 N 0.86 -0.65 -0.22 3.43 0.00 -0.15 -0.40 119.26 122.14 1rye h ALA 335 Ca 0.07 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1rye h ALA 335 Cb 0.28 0.65 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1rye h ALA 335 CO 0.00 -0.93 0.03 0.28 0.00 0.00 0.00 179.25 178.63 1rye h VAL 336 N -0.59 0.88 -0.49 0.00 2.07 -1.40 0.30 116.25 117.01 1rye h VAL 336 Ca 0.03 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.53 1rye h VAL 336 Cb 0.64 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1rye h VAL 336 CO -0.25 0.02 0.31 0.40 0.02 0.00 0.00 177.57 178.07 1rye h ILE 337 N 0.11 1.08 -0.45 4.57 2.04 -1.18 -2.92 117.51 120.76 1rye h ILE 337 Ca 0.10 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1rye h ILE 337 Cb 0.11 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1rye h ILE 337 CO -0.15 0.11 0.00 0.59 0.00 0.00 0.00 178.15 178.70 1rye n ASN 338 N -4.78 4.30 -3.56 1.72 5.03 -0.18 -4.94 115.26 112.85 1rye n ASN 338 Ca 0.03 -2.59 -0.21 0.00 0.87 0.00 0.00 54.58 52.68 1rye n ASN 338 Cb 0.05 -0.60 0.05 0.00 -1.02 0.00 0.00 39.78 38.26 1rye n ASN 338 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1rye n ASN 339 N 0.57 -3.15 -4.16 6.41 3.02 -0.79 -5.01 115.26 112.13 1rye n ASN 339 Ca 0.20 -0.80 -0.15 0.00 -0.03 0.00 0.00 54.58 53.80 1rye n ASN 339 Cb 0.88 -4.34 -0.11 0.00 -0.61 0.00 0.00 39.78 35.60 1rye n ASN 339 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1rye s LYS 340 N -5.55 0.81 0.71 3.52 1.02 0.98 -5.03 119.74 116.19 1rye s LYS 340 Ca 0.18 -1.09 -0.12 0.00 0.02 0.00 0.00 55.97 54.96 1rye s LYS 340 Cb -0.04 -0.55 0.02 0.00 -0.52 0.00 0.00 37.83 36.74 1rye s LYS 340 CO 0.79 0.09 1.09 -1.25 -0.92 0.00 0.00 175.35 175.15 1rye s PRO 341 N -2.52 2.63 -0.04 -1.68 0.04 -1.26 -4.24 135.00 127.93 1rye s PRO 341 Ca 0.03 1.18 -0.14 0.00 0.04 0.00 0.00 61.00 62.11 1rye s PRO 341 Cb -0.05 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 1rye s PRO 341 CO 0.00 -1.36 0.37 0.54 0.04 0.00 0.00 177.00 176.60 1rye s VAL 342 N -2.76 5.13 0.36 -0.36 0.11 -1.26 -4.88 120.40 116.75 1rye s VAL 342 Ca 0.62 0.74 0.08 0.00 -2.93 0.00 0.00 61.98 60.49 1rye s VAL 342 Cb -0.17 -3.68 0.31 0.00 -1.53 0.00 0.00 36.38 31.31 1rye s VAL 342 CO 0.50 0.54 1.91 -0.09 -3.33 0.00 0.00 175.10 174.63 1rye h ARG 343 N 5.16 0.69 -2.63 1.54 2.43 -1.95 -3.08 114.38 116.54 1rye h ARG 343 Ca -0.50 -0.04 -0.73 0.00 -0.81 0.00 0.00 59.98 57.90 1rye h ARG 343 Cb 1.21 -0.16 -0.33 0.00 -0.42 0.00 0.00 29.97 30.27 1rye h ARG 343 CO 0.64 0.46 0.31 0.43 -1.51 0.00 0.00 179.97 180.30 1rye n SER 344 N -4.52 5.55 -4.57 -3.80 7.64 -1.26 -5.00 113.62 107.66 1rye n SER 344 Ca 0.14 -3.45 -0.34 0.00 1.01 0.00 0.00 58.87 56.24 1rye n SER 344 Cb 0.37 -1.05 0.12 0.00 -1.01 0.00 0.00 64.21 62.64 1rye n SER 344 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1rye n PRO 345 N 1.05 0.04 0.30 1.43 -0.04 -1.17 -2.03 135.00 134.59 1rye n PRO 345 Ca 0.28 0.08 0.18 0.00 -0.04 0.00 0.00 63.50 64.00 1rye n PRO 345 Cb 0.36 -2.15 0.98 0.00 -0.04 0.00 0.00 33.50 32.64 1rye n PRO 345 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1rye h GLY 346 N -1.03 0.00 0.43 0.55 0.00 -1.86 -2.10 103.07 99.05 1rye h GLY 346 Ca -0.45 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 1rye h GLY 346 CO 0.42 0.00 -0.03 0.83 0.00 0.00 0.00 176.54 177.76 1rye h GLU 347 N 0.00 -0.08 -1.02 4.80 3.07 -1.89 -2.58 114.58 116.88 1rye h GLU 347 Ca -0.00 0.01 0.24 0.00 -0.50 0.00 0.00 59.36 59.11 1rye h GLU 347 Cb 0.12 0.02 -0.10 0.00 -0.84 0.00 0.00 28.75 27.95 1rye h GLU 347 CO 0.00 0.43 0.64 1.49 -1.40 0.00 0.00 179.01 180.17 1rye h GLU 348 N -0.65 0.49 0.00 2.33 4.57 -1.72 0.63 114.58 120.22 1rye h GLU 348 Ca -0.01 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.09 1rye h GLU 348 Cb 0.55 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 1rye h GLU 348 CO 0.01 0.32 -0.25 0.78 -1.18 0.00 0.00 179.01 178.70 1rye h GLY 349 N 0.50 0.00 1.98 1.92 0.00 -1.44 -3.01 103.07 103.02 1rye h GLY 349 Ca 0.60 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.72 1rye h GLY 349 CO -0.35 0.00 -0.97 1.98 0.00 0.00 0.00 176.54 177.20 1rye h MET 350 N 0.00 0.02 -0.73 4.80 1.85 0.60 -3.22 114.93 118.25 1rye h MET 350 Ca -0.00 -0.03 0.01 0.00 -0.61 0.00 0.00 59.70 59.07 1rye h MET 350 Cb 0.94 0.01 -0.04 0.00 0.43 0.00 0.00 31.60 32.94 1rye h MET 350 CO 0.03 0.97 0.48 0.37 -0.40 0.00 0.00 176.91 178.36 1rye h GLN 351 N 0.01 0.94 -0.52 0.39 5.75 -0.91 -1.45 115.11 119.31 1rye h GLN 351 Ca -0.02 -0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 58.36 1rye h GLN 351 Cb 1.71 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 30.03 1rye h GLN 351 CO 0.13 0.62 0.05 -0.44 -2.65 0.00 0.00 178.83 176.54 1rye h ASP 352 N 0.97 0.85 -0.52 -0.69 3.32 -1.60 0.95 116.42 119.70 1rye h ASP 352 Ca 0.28 -0.28 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1rye h ASP 352 Cb -0.08 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.22 1rye h ASP 352 CO -0.07 0.92 0.25 0.58 -1.72 0.00 0.00 179.24 179.20 1rye h VAL 353 N 0.76 1.19 -0.11 -1.35 2.07 -1.48 0.18 116.25 117.51 1rye h VAL 353 Ca 0.15 -0.56 -0.19 0.00 0.82 0.00 0.00 66.70 66.92 1rye h VAL 353 Cb 0.45 0.49 0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1rye h VAL 353 CO 0.02 0.23 -0.67 -0.09 0.02 0.00 0.00 177.57 177.07 1rye h ARG 354 N 0.79 0.64 -0.20 1.57 2.43 -0.94 -2.02 114.38 116.66 1rye h ARG 354 Ca 0.19 -0.55 -0.06 0.00 -0.81 0.00 0.00 59.98 58.75 1rye h ARG 354 Cb 0.11 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1rye h ARG 354 CO -0.02 1.17 -0.15 -0.07 -1.51 0.00 0.00 179.97 179.39 1rye h LEU 355 N 0.30 0.31 -0.09 3.80 3.38 -0.42 -1.98 115.31 120.62 1rye h LEU 355 Ca -0.05 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1rye h LEU 355 Cb 1.32 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1rye h LEU 355 CO 0.14 0.49 -0.16 0.40 0.09 0.00 0.00 178.44 179.39 1rye h ILE 356 N 0.30 1.40 -0.86 1.22 2.04 -0.60 -1.03 117.51 119.98 1rye h ILE 356 Ca 0.06 -1.45 0.13 0.00 1.00 0.00 0.00 64.86 64.60 1rye h ILE 356 Cb 0.45 2.14 -0.06 0.00 -0.74 0.00 0.00 36.82 38.60 1rye h ILE 356 CO 0.03 0.41 0.56 -0.61 0.00 0.00 0.00 178.15 178.53 1rye h GLN 357 N -0.20 0.67 -0.59 2.37 4.15 -1.15 0.36 115.11 120.72 1rye h GLN 357 Ca 0.00 -0.04 -0.11 0.00 0.77 0.00 0.00 58.65 59.28 1rye h GLN 357 Cb 0.74 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.26 1rye h GLN 357 CO 0.04 0.44 -0.05 0.00 -1.93 0.00 0.00 178.83 177.33 1rye h ALA 358 N 1.60 0.80 -0.31 3.38 0.00 -1.15 0.32 119.26 123.90 1rye h ALA 358 Ca 0.42 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1rye h ALA 358 Cb 0.65 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1rye h ALA 358 CO -0.18 0.67 -0.34 0.82 0.00 0.00 0.00 179.25 180.23 1rye h ILE 359 N 0.96 1.28 -0.07 0.00 2.04 0.53 0.92 117.51 123.18 1rye h ILE 359 Ca 0.16 -1.48 -0.11 0.00 1.00 0.00 0.00 64.86 64.42 1rye h ILE 359 Cb 0.61 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 1rye h ILE 359 CO 0.04 0.48 -0.48 1.88 0.00 0.00 0.00 178.15 180.07 1rye h TYR 360 N 0.58 0.19 -0.09 1.37 0.05 -0.16 -0.56 116.97 118.36 1rye h TYR 360 Ca 0.06 -0.06 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 1rye h TYR 360 Cb 0.86 -0.04 -0.00 0.00 1.01 0.00 0.00 36.73 38.55 1rye h TYR 360 CO 0.04 0.61 -0.10 1.49 -1.05 0.00 0.00 178.16 179.15 1rye h GLU 361 N 0.13 0.23 -0.35 4.88 4.81 -0.57 -1.60 114.58 122.10 1rye h GLU 361 Ca 0.01 -0.12 0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1rye h GLU 361 Cb 0.89 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.24 1rye h GLU 361 CO 0.07 0.66 0.12 0.00 -0.73 0.00 0.00 179.01 179.12 1rye h ALA 362 N 0.57 0.41 0.00 2.92 0.00 -0.60 -0.03 119.26 122.53 1rye h ALA 362 Ca 0.01 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1rye h ALA 362 Cb 0.62 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1rye h ALA 362 CO 0.02 -0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.00 1rye h ALA 363 N 1.23 1.00 0.18 0.00 0.00 -1.10 0.23 119.26 120.80 1rye h ALA 363 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.77 1rye h ALA 363 Cb 0.14 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.96 1rye h ALA 363 CO -0.17 0.00 -1.27 -0.09 0.00 0.00 0.00 179.25 177.73 1rye h ARG 364 N 0.00 0.54 -0.01 0.00 2.43 -0.04 -3.36 114.38 113.94 1rye h ARG 364 Ca 0.00 -0.82 0.00 0.00 -0.81 0.00 0.00 59.98 58.35 1rye h ARG 364 Cb 0.49 0.29 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 1rye h ARG 364 CO 0.00 1.38 -0.58 0.25 -1.51 0.00 0.00 179.97 179.51 1rye n THR 365 N -3.83 0.00 -1.20 0.20 -2.24 -0.20 -4.95 114.28 102.06 1rye n THR 365 Ca -0.15 -0.21 -0.07 0.00 -2.27 0.00 0.00 64.05 61.35 1rye n THR 365 Cb 1.01 1.18 -0.03 0.00 -2.10 0.00 0.00 70.33 70.39 1rye n THR 365 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rye n GLY 366 N 1.40 0.72 3.57 3.38 0.00 0.80 -4.95 105.19 110.10 1rye n GLY 366 Ca 0.07 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1rye n GLY 366 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1rye s ARG 367 N -2.40 2.07 0.49 1.61 3.52 -1.21 -5.01 118.95 118.02 1rye s ARG 367 Ca 0.00 -1.10 -0.22 0.00 -0.13 0.00 0.00 55.73 54.29 1rye s ARG 367 Cb 0.00 -2.25 -0.07 0.00 -1.56 0.00 0.00 34.95 31.07 1rye s ARG 367 CO 0.00 0.49 1.15 -1.25 -0.81 0.00 0.00 175.30 174.88 1rye s PRO 368 N -2.34 3.62 -0.03 5.12 0.04 -1.26 -4.49 135.00 135.65 1rye s PRO 368 Ca 0.22 1.71 0.06 0.00 0.04 0.00 0.00 61.00 63.03 1rye s PRO 368 Cb -0.11 -2.26 -0.02 0.00 0.04 0.00 0.00 34.50 32.15 1rye s PRO 368 CO 0.14 -0.66 -0.22 0.08 0.04 0.00 0.00 177.00 176.39 1rye s VAL 369 N -1.63 2.43 0.25 -0.36 1.01 0.99 -4.96 120.40 118.12 1rye s VAL 369 Ca 0.67 -0.96 -0.26 0.00 0.00 0.00 0.00 61.98 61.42 1rye s VAL 369 Cb -0.27 -1.89 -0.09 0.00 0.00 0.00 0.00 36.38 34.13 1rye s VAL 369 CO 0.32 0.58 0.87 0.21 0.00 0.00 0.00 175.10 177.08 1rye s ASN 370 N -0.63 7.40 0.00 3.32 3.84 -1.26 -0.66 114.94 126.95 1rye s ASN 370 Ca 0.10 1.76 0.00 0.00 0.21 0.00 0.00 52.86 54.93 1rye s ASN 370 Cb -0.10 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 38.05 1rye s ASN 370 CO -0.00 0.08 0.23 0.35 -2.79 0.00 0.00 177.10 174.97 1rye n THR 371 N 1.11 0.05 -1.96 -5.21 -2.24 0.27 -4.91 114.28 101.40 1rye n THR 371 Ca -0.02 -0.14 -0.25 0.00 -2.27 0.00 0.00 64.05 61.37 1rye n THR 371 Cb 0.49 1.56 -0.07 0.00 -2.10 0.00 0.00 70.33 70.21 1rye n THR 371 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1rye s ASP 372 N -0.05 4.70 -0.17 3.42 -1.08 -0.80 -4.61 116.67 118.08 1rye s ASP 372 Ca 0.00 -1.32 0.17 0.00 -0.52 0.00 0.00 52.55 50.87 1rye s ASP 372 Cb 0.00 -2.58 0.50 0.00 -1.46 0.00 0.00 42.92 39.38 1rye s ASP 372 CO 0.00 -3.38 1.39 -2.67 0.52 0.00 0.00 175.17 171.04 1rye n TRP 373 N 15.49 0.85 0.00 -5.34 2.14 -1.26 -4.98 117.44 124.33 1rye n TRP 373 Ca 0.44 -0.88 0.00 0.00 2.07 0.00 0.00 57.50 59.13 1rye n TRP 373 Cb 0.47 -0.29 0.00 0.00 -0.81 0.00 0.00 31.31 30.67 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 -0.57 2.69 1.83 -1.67 0.00 -1.26 -4.97 105.19 101.24 1rye n GLY 374 Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 1rye n GLY 374 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1rye n TYR 375 N -1.96 -0.02 -3.75 1.61 9.36 -1.26 -4.93 117.16 116.21 1rye n TYR 375 Ca 0.00 0.53 -0.29 0.00 3.32 0.00 0.00 57.90 61.46 1rye n TYR 375 Cb 0.00 -1.07 -0.15 0.00 -0.63 0.00 0.00 39.34 37.49 1rye n TYR 375 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1rye s VAL 376 N -0.32 0.86 -0.71 2.97 1.01 -1.26 -4.98 120.40 117.97 1rye s VAL 376 Ca 0.40 -1.19 -0.26 0.00 0.00 0.00 0.00 61.98 60.93 1rye s VAL 376 Cb -0.57 -1.53 -0.11 0.00 0.00 0.00 0.00 36.38 34.17 1rye s VAL 376 CO 0.30 -0.51 2.39 -0.60 0.00 0.00 0.00 175.10 176.68 1rye s ARG 377 N 1.65 1.77 0.21 2.72 6.06 -1.26 -4.89 118.95 125.21 1rye s ARG 377 Ca 0.06 0.73 -0.31 0.00 -2.50 0.00 0.00 55.73 53.71 1rye s ARG 377 Cb -0.17 -4.73 -0.10 0.00 0.06 0.00 0.00 34.95 30.00 1rye s ARG 377 CO -0.19 -4.08 1.55 -0.65 -2.50 0.00 0.00 175.30 169.43 1rye s GLN 378 N 8.65 4.20 0.00 5.12 -1.52 -1.26 -2.78 119.66 132.08 1rye s GLN 378 Ca 0.93 2.41 0.00 0.00 -1.95 0.00 0.00 55.36 56.75 1rye s GLN 378 Cb -0.14 -3.11 0.00 0.00 -0.22 0.00 0.00 33.01 29.54 1rye s GLN 378 CO 0.13 -0.57 0.00 0.41 -0.25 0.00 0.00 175.29 175.01 1rye n GLY 379 N 3.07 3.10 0.00 3.09 0.00 -1.26 -4.90 105.19 108.28 1rye n GLY 379 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.27 3.10 0.01 -0.02 0.00 -1.12 -5.17 105.19 100.72 1rye n GLY 380 Ca 0.00 -1.98 0.16 0.00 0.00 0.00 0.00 46.02 44.20 1rye n GLY 380 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60