#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oat n PRO 37 N 0.00 0.96 0.00 1.61 -0.02 -1.26 -4.94 135.00 131.35 1oat n PRO 37 Ca 0.00 0.34 0.13 0.00 -2.02 0.00 0.00 63.50 61.95 1oat n PRO 37 Cb 0.00 -2.04 0.30 0.00 -0.02 0.00 0.00 33.50 31.74 1oat n PRO 37 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1oat n PRO 38 N 5.62 0.93 -3.89 0.52 -0.04 -1.26 -4.59 135.00 132.29 1oat n PRO 38 Ca 0.30 -0.61 -0.30 0.00 -0.04 0.00 0.00 63.50 62.85 1oat n PRO 38 Cb 0.11 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.04 1oat n PRO 38 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1oat s THR 39 N -2.49 5.35 0.20 0.52 2.01 -1.26 -4.84 115.64 115.13 1oat s THR 39 Ca 0.23 -0.42 -0.10 0.00 0.31 0.00 0.00 61.69 61.71 1oat s THR 39 Cb 0.19 -3.66 0.13 0.00 0.01 0.00 0.00 72.50 69.17 1oat s THR 39 CO 0.53 0.06 1.77 0.28 -0.69 0.00 0.00 174.62 176.57 1oat h SER 40 N 2.79 0.37 0.47 3.53 0.02 -1.94 -1.46 113.55 117.32 1oat h SER 40 Ca -0.46 0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 60.50 1oat h SER 40 Cb 1.17 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 1oat h SER 40 CO 0.74 0.23 -0.21 0.44 -1.14 0.00 0.00 176.83 176.89 1oat h ASP 41 N 0.52 0.00 0.80 3.07 5.19 -1.99 -1.44 116.42 122.58 1oat h ASP 41 Ca 0.28 0.00 -0.22 0.00 -0.62 0.00 0.00 57.03 56.48 1oat h ASP 41 Cb 0.26 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.75 1oat h ASP 41 CO -0.23 0.21 -1.01 0.44 -3.12 0.00 0.00 179.24 175.53 1oat h ASP 42 N 0.00 0.15 -0.24 6.45 3.32 -1.74 -2.64 116.42 121.73 1oat h ASP 42 Ca -0.00 -0.15 -0.19 0.00 0.02 0.00 0.00 57.03 56.70 1oat h ASP 42 Cb 0.50 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1oat h ASP 42 CO 0.03 1.06 -0.60 0.40 -1.72 0.00 0.00 179.24 178.41 1oat h ILE 43 N 0.04 1.28 -0.33 0.35 2.04 -0.54 -2.04 117.51 118.30 1oat h ILE 43 Ca -0.05 -1.79 -0.04 0.00 1.00 0.00 0.00 64.86 63.98 1oat h ILE 43 Cb 1.72 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 39.56 1oat h ILE 43 CO 0.15 0.58 0.07 -0.26 0.00 0.00 0.00 178.15 178.68 1oat h PHE 44 N 0.59 0.58 -0.70 1.37 0.04 -1.33 -2.77 116.94 114.71 1oat h PHE 44 Ca -0.01 -0.07 -0.05 0.00 2.80 0.00 0.00 57.97 60.64 1oat h PHE 44 Cb 1.22 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 39.18 1oat h PHE 44 CO 0.08 0.60 0.24 1.49 -0.60 0.00 0.00 178.31 180.13 1oat h GLU 45 N 0.38 1.07 -0.55 1.51 4.81 -1.50 -1.60 114.58 118.71 1oat h GLU 45 Ca 0.10 -0.22 -0.04 0.00 -0.13 0.00 0.00 59.36 59.07 1oat h GLU 45 Cb 0.33 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1oat h GLU 45 CO 0.00 0.91 0.17 -0.09 -0.73 0.00 0.00 179.01 179.27 1oat h ARG 46 N 1.02 0.85 -0.31 1.92 2.43 -1.30 -2.40 114.38 116.60 1oat h ARG 46 Ca 0.23 -0.19 -0.14 0.00 -0.81 0.00 0.00 59.98 59.08 1oat h ARG 46 Cb 0.27 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1oat h ARG 46 CO -0.01 0.78 -0.36 0.93 -1.51 0.00 0.00 179.97 179.80 1oat h GLU 47 N 0.76 0.70 0.00 0.20 5.08 -1.37 -1.50 114.58 118.44 1oat h GLU 47 Ca 0.18 -0.34 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 1oat h GLU 47 Cb 0.29 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1oat h GLU 47 CO -0.00 0.95 -0.10 -0.92 -1.00 0.00 0.00 179.01 177.94 1oat h TYR 48 N 0.58 0.00 0.06 4.33 3.20 -1.12 0.10 116.97 124.12 1oat h TYR 48 Ca 0.06 0.00 -0.33 0.00 3.14 0.00 0.00 58.73 61.59 1oat h TYR 48 Cb 0.89 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.12 1oat h TYR 48 CO 0.04 0.10 -1.86 1.17 -1.64 0.00 0.00 178.16 175.97 1oat n LYS 49 N -3.67 0.67 0.00 1.82 4.81 -0.92 -4.58 118.16 116.29 1oat n LYS 49 Ca -0.02 0.35 0.08 0.00 -0.87 0.00 0.00 58.31 57.86 1oat n LYS 49 Cb 0.21 -1.68 -0.09 0.00 0.02 0.00 0.00 35.03 33.49 1oat n LYS 49 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1oat n TYR 50 N -3.84 0.00 -4.35 5.64 4.01 -0.59 -5.00 117.16 113.03 1oat n TYR 50 Ca -0.35 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.13 1oat n TYR 50 Cb 0.91 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.84 1oat n TYR 50 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1oat s GLY 51 N -2.57 1.74 0.59 2.72 0.00 0.02 -5.06 107.32 104.76 1oat s GLY 51 Ca 0.07 -1.61 -0.19 0.00 0.00 0.00 0.00 44.72 42.99 1oat s GLY 51 CO 0.68 -1.65 1.27 0.00 0.00 0.00 0.00 173.10 173.40 1oat s ALA 52 N -1.93 2.58 -0.46 3.20 0.00 -1.26 -4.68 121.76 119.21 1oat s ALA 52 Ca 0.26 1.14 -0.02 0.00 0.00 0.00 0.00 51.96 53.35 1oat s ALA 52 Cb -0.08 -3.51 0.27 0.00 0.00 0.00 0.00 23.12 19.81 1oat s ALA 52 CO 0.15 -1.32 2.12 0.72 0.00 0.00 0.00 175.76 177.43 1oat n HIS 53 N -1.50 2.10 1.56 0.00 8.25 -1.26 -4.55 115.22 119.82 1oat n HIS 53 Ca 0.13 -2.29 0.15 0.00 -0.26 0.00 0.00 57.72 55.46 1oat n HIS 53 Cb 0.48 -1.16 0.80 0.00 1.12 0.00 0.00 29.99 31.23 1oat n HIS 53 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1oat n ASN 54 N 0.01 0.00 -4.17 0.41 6.94 -1.26 -4.83 115.26 112.36 1oat n ASN 54 Ca 0.43 -0.34 -0.16 0.00 -0.02 0.00 0.00 54.58 54.49 1oat n ASN 54 Cb 0.58 -0.22 -0.11 0.00 -2.36 0.00 0.00 39.78 37.67 1oat n ASN 54 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1oat s TYR 55 N -2.44 1.10 -0.57 -2.53 2.02 -1.26 -5.09 117.35 108.57 1oat s TYR 55 Ca 0.33 -0.57 0.04 0.00 -0.37 0.00 0.00 57.07 56.50 1oat s TYR 55 Cb 0.21 -0.60 0.16 0.00 -0.40 0.00 0.00 41.96 41.32 1oat s TYR 55 CO 0.44 0.02 0.40 -1.58 -1.57 0.00 0.00 175.55 173.26 1oat s HIS 56 N -1.98 2.66 0.84 2.71 5.65 -1.26 -5.12 115.29 118.79 1oat s HIS 56 Ca 0.02 -2.93 -0.11 0.00 0.25 0.00 0.00 55.06 52.30 1oat s HIS 56 Cb -0.06 -2.13 0.10 0.00 -1.18 0.00 0.00 32.58 29.31 1oat s HIS 56 CO 0.01 -0.67 1.09 -2.14 -0.65 0.00 0.00 174.74 172.39 1oat s PRO 57 N -0.70 1.71 -0.05 2.88 0.02 -1.26 -4.98 135.00 132.61 1oat s PRO 57 Ca 0.25 1.04 -0.30 0.00 0.02 0.00 0.00 61.00 62.01 1oat s PRO 57 Cb -0.07 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.57 1oat s PRO 57 CO -0.14 -1.99 1.22 -1.17 -0.33 0.00 0.00 177.00 174.59 1oat s LEU 58 N -6.11 4.28 -1.03 -5.54 2.96 -1.26 -4.89 118.68 107.09 1oat s LEU 58 Ca 0.63 1.85 -0.26 0.00 -0.22 0.00 0.00 54.13 56.12 1oat s LEU 58 Cb -0.18 -3.56 -0.21 0.00 0.50 0.00 0.00 46.19 42.75 1oat s LEU 58 CO 0.57 -0.59 2.17 -2.16 -1.32 0.00 0.00 176.35 175.02 1oat s PRO 59 N 2.19 1.29 -0.09 0.98 0.04 -1.26 -4.82 135.00 133.33 1oat s PRO 59 Ca 0.57 -0.27 -0.06 0.00 0.04 0.00 0.00 61.00 61.28 1oat s PRO 59 Cb -0.25 -4.95 0.04 0.00 0.04 0.00 0.00 34.50 29.38 1oat s PRO 59 CO 0.23 -5.27 0.22 0.08 0.04 0.00 0.00 177.00 172.30 1oat s VAL 60 N 16.47 -0.03 -0.40 -0.36 1.01 -1.26 -5.13 120.40 130.70 1oat s VAL 60 Ca 0.83 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.90 1oat s VAL 60 Cb -0.06 -0.34 0.11 0.00 0.00 0.00 0.00 36.38 36.09 1oat s VAL 60 CO 0.16 0.04 0.18 0.00 0.00 0.00 0.00 175.10 175.48 1oat s ALA 61 N 0.88 3.11 0.31 5.51 0.00 -1.26 -5.09 121.76 125.22 1oat s ALA 61 Ca -0.06 -2.53 -0.18 0.00 0.00 0.00 0.00 51.96 49.19 1oat s ALA 61 Cb -0.08 -2.34 -0.09 0.00 0.00 0.00 0.00 23.12 20.61 1oat s ALA 61 CO -0.05 -1.78 0.77 -0.51 0.00 0.00 0.00 175.76 174.19 1oat s LEU 62 N 1.11 4.14 0.00 0.00 2.01 -1.26 -1.05 118.68 123.63 1oat s LEU 62 Ca 0.08 1.40 0.00 0.00 0.01 0.00 0.00 54.13 55.63 1oat s LEU 62 Cb -0.22 -3.99 0.00 0.00 0.01 0.00 0.00 46.19 41.99 1oat s LEU 62 CO -0.05 -0.15 0.00 -1.84 1.01 0.00 0.00 176.35 175.32 1oat n GLU 63 N -0.04 2.52 -3.81 1.70 0.28 -0.57 -4.84 120.64 115.87 1oat n GLU 63 Ca 0.02 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.90 1oat n GLU 63 Cb 0.52 -0.25 -0.10 0.00 1.43 0.00 0.00 31.44 33.04 1oat n GLU 63 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1oat s ARG 64 N -0.35 0.47 -0.11 3.44 3.52 -1.17 -5.04 118.95 119.70 1oat s ARG 64 Ca 0.00 -0.07 -0.09 0.00 -0.13 0.00 0.00 55.73 55.45 1oat s ARG 64 Cb 0.00 0.21 0.03 0.00 -1.56 0.00 0.00 34.95 33.63 1oat s ARG 64 CO 0.00 -0.11 0.28 0.20 -0.81 0.00 0.00 175.30 174.86 1oat s GLY 65 N -0.82 -0.20 -0.14 8.12 0.00 -1.26 -0.91 107.32 112.11 1oat s GLY 65 Ca -0.09 0.87 -0.06 0.00 0.00 0.00 0.00 44.72 45.45 1oat s GLY 65 CO 0.02 0.87 0.30 1.25 0.00 0.00 0.00 173.10 175.54 1oat s LYS 66 N 0.48 0.22 6.75 2.90 2.47 -0.16 -4.47 119.74 127.93 1oat s LYS 66 Ca -0.03 0.73 0.00 0.00 -1.56 0.00 0.00 55.97 55.11 1oat s LYS 66 Cb -0.04 -0.01 0.00 0.00 -1.46 0.00 0.00 37.83 36.32 1oat s LYS 66 CO -0.03 -0.23 0.00 0.41 0.16 0.00 0.00 175.35 175.67 1oat n GLY 67 N 4.88 3.73 0.62 5.54 0.00 -0.61 -1.17 105.19 118.17 1oat n GLY 67 Ca -0.14 0.22 0.13 0.00 0.00 0.00 0.00 46.02 46.23 1oat n GLY 67 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1oat n ILE 68 N 0.00 0.00 -4.11 -0.61 -5.35 -1.26 -0.72 119.36 107.31 1oat n ILE 68 Ca 0.00 -0.32 -0.30 0.00 -0.27 0.00 0.00 62.75 61.86 1oat n ILE 68 Cb 0.00 0.78 -0.08 0.00 -1.74 0.00 0.00 39.64 38.60 1oat n ILE 68 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1oat s TYR 69 N -2.00 3.04 -0.01 4.28 2.02 -0.32 -1.38 117.35 122.99 1oat s TYR 69 Ca 0.35 0.00 0.02 0.00 -0.37 0.00 0.00 57.07 57.07 1oat s TYR 69 Cb 0.21 -1.56 0.00 0.00 -0.40 0.00 0.00 41.96 40.21 1oat s TYR 69 CO 0.32 0.49 -0.06 -0.51 -1.57 0.00 0.00 175.55 174.22 1oat s LEU 70 N -2.34 1.85 -0.04 -1.29 1.43 -0.32 -0.99 118.68 116.97 1oat s LEU 70 Ca 0.27 -0.13 0.06 0.00 -1.03 0.00 0.00 54.13 53.30 1oat s LEU 70 Cb -0.12 -0.39 -0.02 0.00 0.03 0.00 0.00 46.19 45.70 1oat s LEU 70 CO 0.19 0.05 -0.21 0.26 0.23 0.00 0.00 176.35 176.88 1oat s TRP 71 N 0.10 2.51 0.00 0.29 0.51 -0.09 0.20 118.94 122.45 1oat s TRP 71 Ca -0.01 -0.38 0.00 0.00 -2.12 0.00 0.00 56.10 53.59 1oat s TRP 71 Cb -0.06 -1.58 0.00 0.00 -0.81 0.00 0.00 33.47 31.02 1oat s TRP 71 CO -0.00 0.01 0.00 -0.40 -0.51 0.00 0.00 176.95 176.05 1oat n ASP 72 N 2.51 0.00 0.16 2.95 5.68 -0.66 -1.51 116.55 125.67 1oat n ASP 72 Ca -0.17 -0.79 0.04 0.00 -0.50 0.00 0.00 54.79 53.37 1oat n ASP 72 Cb 0.52 0.00 0.14 0.00 -1.14 0.00 0.00 41.12 40.64 1oat n ASP 72 CO 0.00 0.00 0.00 -0.37 -1.33 0.00 0.00 177.20 175.50 1oat h VAL 73 N -0.44 0.88 -0.03 2.12 -1.51 -1.42 -2.96 116.25 112.89 1oat h VAL 73 Ca 0.00 -1.99 0.00 0.00 -1.23 0.00 0.00 66.70 63.48 1oat h VAL 73 Cb 0.00 2.25 0.00 0.00 -2.13 0.00 0.00 31.29 31.41 1oat h VAL 73 CO 0.00 0.46 0.00 -0.62 -1.23 0.00 0.00 177.57 176.18 1oat n GLU 74 N -3.33 1.08 -0.55 5.19 4.71 -1.26 -4.89 120.64 121.60 1oat n GLU 74 Ca 0.01 -0.13 0.00 0.00 -0.01 0.00 0.00 57.16 57.03 1oat n GLU 74 Cb 0.66 -1.19 0.00 0.00 -1.01 0.00 0.00 31.44 29.90 1oat n GLU 74 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1oat n GLY 75 N 0.71 1.73 3.77 0.62 0.00 -1.12 -5.03 105.19 105.88 1oat n GLY 75 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 1oat n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1oat s ARG 76 N -0.07 3.45 -0.07 1.61 0.52 -1.26 -4.74 118.95 118.40 1oat s ARG 76 Ca 0.00 1.72 -0.02 0.00 -0.52 0.00 0.00 55.73 56.92 1oat s ARG 76 Cb 0.00 -2.16 -0.04 0.00 0.52 0.00 0.00 34.95 33.28 1oat s ARG 76 CO 0.00 -0.79 0.03 0.21 0.02 0.00 0.00 175.30 174.77 1oat s LYS 77 N -3.05 3.02 0.02 3.54 2.20 -1.26 -1.65 119.74 122.56 1oat s LYS 77 Ca 0.70 -0.41 0.02 0.00 -0.36 0.00 0.00 55.97 55.91 1oat s LYS 77 Cb -0.27 -2.83 -0.02 0.00 -1.51 0.00 0.00 37.83 33.20 1oat s LYS 77 CO 0.31 0.69 -0.06 0.71 -0.36 0.00 0.00 175.35 176.65 1oat s TYR 78 N -0.98 0.53 0.02 4.03 1.51 0.13 -4.73 117.35 117.86 1oat s TYR 78 Ca 0.16 -0.35 -0.29 0.00 -1.01 0.00 0.00 57.07 55.58 1oat s TYR 78 Cb -0.12 -0.33 -0.04 0.00 -0.11 0.00 0.00 41.96 41.37 1oat s TYR 78 CO 0.05 -0.07 0.95 -0.06 -1.11 0.00 0.00 175.55 175.32 1oat s PHE 79 N -0.92 3.69 -0.50 2.71 0.08 -0.17 -1.17 117.98 121.70 1oat s PHE 79 Ca -0.06 1.69 -0.22 0.00 0.12 0.00 0.00 56.93 58.45 1oat s PHE 79 Cb -0.07 -3.08 0.04 0.00 -0.57 0.00 0.00 43.02 39.34 1oat s PHE 79 CO 0.00 0.05 0.78 0.34 -0.10 0.00 0.00 175.22 176.29 1oat s ASP 80 N 0.76 6.33 -0.27 1.36 2.15 -0.48 -0.62 116.67 125.90 1oat s ASP 80 Ca 0.50 -0.41 0.11 0.00 0.43 0.00 0.00 52.55 53.18 1oat s ASP 80 Cb -0.21 -2.37 0.56 0.00 -0.30 0.00 0.00 42.92 40.60 1oat s ASP 80 CO 0.28 -1.00 1.54 0.49 -0.17 0.00 0.00 175.17 176.30 1oat n PHE 81 N 6.79 1.39 0.00 -5.34 3.01 0.46 -4.06 117.46 119.71 1oat n PHE 81 Ca -0.00 -1.32 0.00 0.00 1.01 0.00 0.00 57.45 57.13 1oat n PHE 81 Cb 0.47 -0.50 0.00 0.00 -0.01 0.00 0.00 39.48 39.45 1oat n PHE 81 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 1oat n LEU 82 N -0.79 1.07 -2.51 4.37 7.94 -1.14 -0.97 117.00 124.97 1oat n LEU 82 Ca 0.32 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 55.06 1oat n LEU 82 Cb 1.09 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 45.03 1oat n LEU 82 CO 0.25 0.18 -0.18 -1.20 -1.11 0.00 0.00 177.39 175.33 1oat n SER 83 N -2.12 -4.69 -2.74 1.96 7.64 -1.12 -1.50 113.62 111.05 1oat n SER 83 Ca 0.00 0.07 -0.20 0.00 1.01 0.00 0.00 58.87 59.75 1oat n SER 83 Cb 0.47 -3.93 0.04 0.00 -1.01 0.00 0.00 64.21 59.78 1oat n SER 83 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1oat n SER 84 N -1.94 -5.60 -2.61 6.43 2.88 -1.26 -1.23 113.62 110.30 1oat n SER 84 Ca -0.17 -0.29 -0.18 0.00 -1.33 0.00 0.00 58.87 56.90 1oat n SER 84 Cb 0.63 -4.39 0.04 0.00 -0.75 0.00 0.00 64.21 59.75 1oat n SER 84 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1oat n TYR 85 N -4.42 -1.86 -0.92 0.66 4.01 -0.56 -3.05 117.16 111.02 1oat n TYR 85 Ca -0.08 0.59 0.00 0.00 -0.16 0.00 0.00 57.90 58.25 1oat n TYR 85 Cb 0.60 -3.88 0.00 0.00 -0.31 0.00 0.00 39.34 35.74 1oat n TYR 85 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1oat n SER 86 N -1.72 -2.76 0.08 7.72 7.64 -0.82 -4.89 113.62 118.87 1oat n SER 86 Ca -0.04 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.88 1oat n SER 86 Cb 0.57 -0.46 -0.03 0.00 -1.01 0.00 0.00 64.21 63.28 1oat n SER 86 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1oat h ALA 87 N 0.00 0.64 -1.93 -0.43 0.00 -1.08 -3.25 119.26 113.21 1oat h ALA 87 Ca 0.00 -0.52 -0.68 0.00 0.00 0.00 0.00 54.91 53.71 1oat h ALA 87 Cb 0.00 0.12 -0.36 0.00 0.00 0.00 0.00 17.79 17.55 1oat h ALA 87 CO 0.00 0.59 0.00 1.33 0.00 0.00 0.00 179.25 181.17 1oat n VAL 88 N -2.93 4.10 -0.13 0.00 0.24 -0.71 -2.46 118.33 116.45 1oat n VAL 88 Ca -0.04 -5.69 -0.05 0.00 -2.04 0.00 0.00 64.34 56.52 1oat n VAL 88 Cb 0.73 -1.61 0.14 0.00 -1.47 0.00 0.00 33.84 31.63 1oat n VAL 88 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 1oat h ASN 89 N 3.75 0.80 -0.04 -1.34 2.35 -1.84 -2.54 115.58 116.73 1oat h ASN 89 Ca 0.27 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1oat h ASN 89 Cb 0.48 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.64 1oat h ASN 89 CO 0.98 0.87 0.00 0.00 -1.65 0.00 0.00 177.43 177.63 1oat n GLN 90 N -4.21 1.10 0.00 0.81 3.00 -1.26 -0.27 117.38 116.54 1oat n GLN 90 Ca 0.03 -0.15 0.00 0.00 -0.01 0.00 0.00 57.00 56.87 1oat n GLN 90 Cb 0.31 -1.06 0.00 0.00 0.00 0.00 0.00 30.24 29.48 1oat n GLN 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1oat n GLY 91 N 0.60 -2.31 3.76 1.08 0.00 -0.96 -4.61 105.19 102.76 1oat n GLY 91 Ca 0.03 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 44.16 1oat n GLY 91 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1oat s HIS 92 N -2.91 3.19 -1.49 1.61 3.76 0.10 -3.81 115.29 115.74 1oat s HIS 92 Ca 0.00 1.47 -0.01 0.00 -0.15 0.00 0.00 55.06 56.37 1oat s HIS 92 Cb 0.00 -3.58 0.01 0.00 1.11 0.00 0.00 32.58 30.13 1oat s HIS 92 CO 0.00 -1.54 0.27 0.00 -0.85 0.00 0.00 174.74 172.63 1oat n HIS 94 N -4.47 2.51 -0.34 0.00 -0.00 -1.25 -4.81 115.22 106.86 1oat n HIS 94 Ca -0.29 -0.07 0.17 0.00 -0.00 0.00 0.00 57.72 57.53 1oat n HIS 94 Cb 0.68 -2.70 0.39 0.00 -0.00 0.00 0.00 29.99 28.36 1oat n HIS 94 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1oat h PRO 95 N 8.37 0.58 -0.16 1.57 0.13 -1.95 0.47 132.00 141.02 1oat h PRO 95 Ca -0.47 -0.03 -0.15 0.00 -0.87 0.00 0.00 66.00 64.48 1oat h PRO 95 Cb 1.24 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1oat h PRO 95 CO 0.94 0.38 -0.54 -0.22 -0.23 0.00 0.00 178.00 178.33 1oat h LYS 96 N 0.60 0.46 0.05 0.86 3.64 -1.98 -1.30 116.57 118.90 1oat h LYS 96 Ca 0.62 -0.29 -0.20 0.00 -1.27 0.00 0.00 60.65 59.51 1oat h LYS 96 Cb 1.19 0.03 0.02 0.00 -0.41 0.00 0.00 32.23 33.06 1oat h LYS 96 CO -0.43 0.88 -0.82 0.82 -2.27 0.00 0.00 179.45 177.64 1oat h ILE 97 N 0.36 1.40 -0.45 2.00 2.04 -1.66 -2.92 117.51 118.27 1oat h ILE 97 Ca 0.01 -2.27 0.04 0.00 1.00 0.00 0.00 64.86 63.64 1oat h ILE 97 Cb 1.06 2.72 -0.04 0.00 -0.74 0.00 0.00 36.82 39.83 1oat h ILE 97 CO 0.10 0.67 0.23 0.58 0.00 0.00 0.00 178.15 179.73 1oat h VAL 98 N -0.03 0.97 -0.08 1.67 2.07 -0.93 -1.81 116.25 118.10 1oat h VAL 98 Ca -0.12 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 1oat h VAL 98 Cb 1.54 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 1oat h VAL 98 CO 0.16 0.08 -0.13 0.78 0.02 0.00 0.00 177.57 178.49 1oat h ASN 99 N 0.46 0.11 -0.41 0.57 2.35 -1.29 -1.47 115.58 115.90 1oat h ASN 99 Ca 0.20 -0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.84 1oat h ASN 99 Cb 0.09 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 1oat h ASN 99 CO -0.13 0.25 -0.04 0.00 -1.65 0.00 0.00 177.43 175.86 1oat h ALA 100 N 1.76 1.02 0.06 -0.83 0.00 -1.14 -1.21 119.26 118.91 1oat h ALA 100 Ca 0.02 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1oat h ALA 100 Cb 0.30 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1oat h ALA 100 CO 0.02 0.60 -0.03 1.25 0.00 0.00 0.00 179.25 181.09 1oat h LEU 101 N 0.77 -0.06 -1.50 0.00 5.85 -0.85 -2.90 115.31 116.61 1oat h LEU 101 Ca 0.14 -0.42 0.10 0.00 0.84 0.00 0.00 57.88 58.55 1oat h LEU 101 Cb 0.52 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 1oat h LEU 101 CO 0.03 0.40 0.47 0.11 -0.34 0.00 0.00 178.44 179.10 1oat h LYS 102 N -0.54 0.53 -0.19 1.25 1.57 -1.23 -1.46 116.57 116.50 1oat h LYS 102 Ca -0.01 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.57 1oat h LYS 102 Cb 0.48 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 1oat h LYS 102 CO 0.01 0.35 -0.59 1.03 -0.57 0.00 0.00 179.45 179.69 1oat h SER 103 N 0.55 0.71 0.77 0.86 0.87 -1.20 -3.32 113.55 112.79 1oat h SER 103 Ca 0.33 -0.40 -0.24 0.00 -1.23 0.00 0.00 61.79 60.25 1oat h SER 103 Cb 0.55 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 62.26 1oat h SER 103 CO -0.11 1.14 -1.33 -0.61 -0.53 0.00 0.00 176.83 175.39 1oat h GLN 104 N 0.48 0.00 -0.84 2.24 5.75 -1.21 -3.37 115.11 118.15 1oat h GLN 104 Ca 0.00 0.00 0.15 0.00 -0.15 0.00 0.00 58.65 58.65 1oat h GLN 104 Cb 1.16 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 29.64 1oat h GLN 104 CO 0.11 0.69 0.55 -0.39 -2.65 0.00 0.00 178.83 177.15 1oat h VAL 105 N 0.00 0.81 0.00 2.39 -1.51 -1.38 0.49 116.25 117.06 1oat h VAL 105 Ca -0.15 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 1oat h VAL 105 Cb 1.85 0.19 0.00 0.00 -2.13 0.00 0.00 31.29 31.20 1oat h VAL 105 CO 0.10 0.10 0.00 0.44 -1.23 0.00 0.00 177.57 176.98 1oat h ASP 106 N 0.57 0.00 0.00 4.19 3.32 -1.72 -3.38 116.42 119.40 1oat h ASP 106 Ca 0.42 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.43 1oat h ASP 106 Cb 0.79 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 1oat h ASP 106 CO -0.17 0.00 -0.86 0.29 -1.72 0.00 0.00 179.24 176.78 1oat n LYS 107 N -2.80 0.50 -3.64 3.56 5.02 0.09 -5.07 118.16 115.82 1oat n LYS 107 Ca 0.03 0.39 -0.06 0.00 -2.02 0.00 0.00 58.31 56.66 1oat n LYS 107 Cb 0.41 -1.59 -0.07 0.00 -0.02 0.00 0.00 35.03 33.77 1oat n LYS 107 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1oat s LEU 108 N -8.04 -0.47 0.00 -0.35 0.20 -0.78 -5.08 118.68 104.17 1oat s LEU 108 Ca -0.23 0.82 0.00 0.00 0.69 0.00 0.00 54.13 55.41 1oat s LEU 108 Cb 0.04 1.79 0.00 0.00 -0.43 0.00 0.00 46.19 47.59 1oat s LEU 108 CO 0.34 -0.14 0.00 0.35 -0.29 0.00 0.00 176.35 176.62 1oat n THR 109 N 2.92 0.00 -3.40 3.68 -2.24 -1.26 -4.23 114.28 109.75 1oat n THR 109 Ca -0.15 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.64 1oat n THR 109 Cb 0.57 -0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.75 1oat n THR 109 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1oat s LEU 110 N -3.23 -0.74 -0.02 3.22 2.96 -1.26 -3.82 118.68 115.79 1oat s LEU 110 Ca 0.00 0.89 0.06 0.00 -0.22 0.00 0.00 54.13 54.87 1oat s LEU 110 Cb 0.00 1.79 -0.10 0.00 0.50 0.00 0.00 46.19 48.39 1oat s LEU 110 CO 0.00 -0.14 0.13 0.35 -1.32 0.00 0.00 176.35 175.36 1oat n THR 111 N 5.16 0.06 0.00 3.68 -2.24 -1.26 -5.08 114.28 114.60 1oat n THR 111 Ca -0.09 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1oat n THR 111 Cb 0.52 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 1oat n THR 111 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1oat n SER 112 N -1.80 0.00 -1.25 3.42 2.88 -1.26 -4.58 113.62 111.03 1oat n SER 112 Ca -0.02 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.57 1oat n SER 112 Cb 0.24 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 63.95 1oat n SER 112 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1oat n ARG 113 N -1.21 3.12 0.19 -1.46 1.74 -1.26 -3.52 116.66 114.26 1oat n ARG 113 Ca 0.00 -1.90 0.12 0.00 -0.77 0.00 0.00 57.85 55.31 1oat n ARG 113 Cb 0.00 -1.84 0.23 0.00 -1.02 0.00 0.00 32.46 29.83 1oat n ARG 113 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1oat h ALA 114 N 3.39 1.00 -2.28 7.54 0.00 -1.98 -3.45 119.26 123.48 1oat h ALA 114 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 1oat h ALA 114 Cb 1.24 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.88 1oat h ALA 114 CO 0.24 0.00 -0.66 -0.06 0.00 0.00 0.00 179.25 178.77 1oat s PHE 115 N -3.18 1.30 0.20 0.00 0.08 -1.23 -5.16 117.98 109.99 1oat s PHE 115 Ca 0.08 -1.02 -0.05 0.00 0.12 0.00 0.00 56.93 56.05 1oat s PHE 115 Cb 0.07 -0.74 -0.06 0.00 -0.57 0.00 0.00 43.02 41.72 1oat s PHE 115 CO 0.65 -0.20 0.46 0.71 -0.10 0.00 0.00 175.22 176.74 1oat s TYR 116 N -3.63 3.47 0.45 0.36 1.51 -1.26 -4.78 117.35 113.46 1oat s TYR 116 Ca 0.26 0.61 0.05 0.00 -1.01 0.00 0.00 57.07 56.98 1oat s TYR 116 Cb 0.06 -2.06 -0.05 0.00 -0.11 0.00 0.00 41.96 39.80 1oat s TYR 116 CO 0.06 0.33 0.01 0.54 -1.11 0.00 0.00 175.55 175.38 1oat s ASN 117 N -2.70 3.99 0.15 2.29 2.20 -1.26 -5.06 114.94 114.55 1oat s ASN 117 Ca 0.43 -1.49 0.23 0.00 -0.94 0.00 0.00 52.86 51.09 1oat s ASN 117 Cb -0.11 -0.01 0.17 0.00 -2.00 0.00 0.00 41.25 39.30 1oat s ASN 117 CO 0.26 -0.62 1.18 -0.55 -2.94 0.00 0.00 177.10 174.43 1oat h ASN 118 N 1.59 0.00 0.53 3.54 -0.00 -2.01 -3.40 115.58 115.83 1oat h ASN 118 Ca -0.44 -0.15 -0.29 0.00 -0.00 0.00 0.00 56.30 55.42 1oat h ASN 118 Cb 1.27 0.00 -0.05 0.00 -0.00 0.00 0.00 38.32 39.54 1oat h ASN 118 CO 0.78 0.08 -1.65 0.58 -0.00 0.00 0.00 177.43 177.21 1oat h VAL 119 N 0.00 0.92 -0.87 6.14 2.07 -1.97 -3.40 116.25 119.13 1oat h VAL 119 Ca 0.00 -2.76 0.01 0.00 0.82 0.00 0.00 66.70 64.77 1oat h VAL 119 Cb 0.84 2.45 -0.04 0.00 -1.52 0.00 0.00 31.29 33.03 1oat h VAL 119 CO 0.00 0.53 0.57 0.25 0.02 0.00 0.00 177.57 178.93 1oat h LEU 120 N 0.00 1.01 -0.89 2.57 5.85 -1.84 -2.74 115.31 119.27 1oat h LEU 120 Ca -0.26 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 1oat h LEU 120 Cb 1.99 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 42.73 1oat h LEU 120 CO 0.08 0.75 0.47 1.23 -0.34 0.00 0.00 178.44 180.63 1oat h GLY 121 N 1.19 1.34 0.92 3.75 0.00 -1.84 -0.49 103.07 107.94 1oat h GLY 121 Ca 0.32 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 1oat h GLY 121 CO -0.07 0.60 0.05 0.83 0.00 0.00 0.00 176.54 177.96 1oat h GLU 122 N 1.25 0.14 -0.61 4.80 5.08 -1.72 -1.34 114.58 122.17 1oat h GLU 122 Ca 0.31 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.62 1oat h GLU 122 Cb 0.06 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1oat h GLU 122 CO -0.05 0.19 0.26 -0.92 -1.00 0.00 0.00 179.01 177.49 1oat h TYR 123 N 0.06 0.92 -0.52 4.33 3.20 -1.20 -1.76 116.97 121.99 1oat h TYR 123 Ca 0.03 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1oat h TYR 123 Cb 0.09 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.06 1oat h TYR 123 CO -0.04 0.72 0.29 0.93 -1.64 0.00 0.00 178.16 178.42 1oat h GLU 124 N 0.85 0.73 -0.53 1.82 5.08 -0.96 -0.08 114.58 121.49 1oat h GLU 124 Ca 0.21 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 1oat h GLU 124 Cb 0.17 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1oat h GLU 124 CO -0.02 0.56 0.02 1.49 -1.00 0.00 0.00 179.01 180.06 1oat h GLU 125 N 0.70 0.87 0.25 2.33 4.81 -1.14 -2.02 114.58 120.39 1oat h GLU 125 Ca 0.19 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1oat h GLU 125 Cb 0.04 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1oat h GLU 125 CO -0.03 0.86 -0.12 -0.92 -0.73 0.00 0.00 179.01 178.07 1oat h TYR 126 N 0.82 -0.31 -0.67 0.92 3.20 -0.99 -2.97 116.97 116.96 1oat h TYR 126 Ca 0.16 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 1oat h TYR 126 Cb 0.46 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.80 1oat h TYR 126 CO 0.03 0.05 0.21 0.97 -1.64 0.00 0.00 178.16 177.78 1oat h ILE 127 N -0.76 1.25 -0.42 1.81 2.10 -0.98 -1.82 117.51 118.67 1oat h ILE 127 Ca -0.03 -0.84 -0.06 0.00 1.08 0.00 0.00 64.86 65.01 1oat h ILE 127 Cb 0.50 0.51 -0.02 0.00 -1.09 0.00 0.00 36.82 36.72 1oat h ILE 127 CO 0.06 0.33 0.05 0.71 -1.08 0.00 0.00 178.15 178.21 1oat h THR 128 N 0.99 1.25 -0.07 2.19 1.35 -1.46 -2.44 112.91 114.71 1oat h THR 128 Ca 0.22 -0.93 -0.11 0.00 -0.55 0.00 0.00 66.41 65.04 1oat h THR 128 Cb 0.28 1.03 -0.01 0.00 -1.73 0.00 0.00 68.15 67.71 1oat h THR 128 CO -0.01 0.32 -0.45 0.11 -0.25 0.00 0.00 175.52 175.24 1oat h LYS 129 N 0.56 0.16 -0.54 4.72 1.57 -1.42 0.38 116.57 122.01 1oat h LYS 129 Ca 0.13 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.73 1oat h LYS 129 Cb 0.41 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1oat h LYS 129 CO 0.01 0.58 -0.05 1.25 -0.57 0.00 0.00 179.45 180.67 1oat h LEU 130 N 0.13 0.95 0.00 2.94 6.46 -1.08 -3.21 115.31 121.49 1oat h LEU 130 Ca 0.01 -0.28 0.00 0.00 -0.12 0.00 0.00 57.88 57.49 1oat h LEU 130 Cb 0.85 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.53 1oat h LEU 130 CO 0.07 1.03 -1.07 0.49 -0.62 0.00 0.00 178.44 178.34 1oat n PHE 131 N -4.17 0.00 -2.43 1.25 3.72 -0.94 -5.04 117.46 109.85 1oat n PHE 131 Ca 0.02 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.36 1oat n PHE 131 Cb 0.36 -0.08 0.03 0.00 -0.94 0.00 0.00 39.48 38.85 1oat n PHE 131 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1oat n ASN 132 N -1.58 -2.69 -4.21 4.37 2.85 0.13 -5.08 115.26 109.06 1oat n ASN 132 Ca 0.02 -0.26 -0.15 0.00 -0.11 0.00 0.00 54.58 54.08 1oat n ASN 132 Cb 0.33 -2.35 -0.11 0.00 1.24 0.00 0.00 39.78 38.89 1oat n ASN 132 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 1oat s TYR 133 N -3.15 1.19 0.12 1.20 2.02 -0.82 -5.04 117.35 112.87 1oat s TYR 133 Ca 0.07 -0.64 -0.16 0.00 -0.37 0.00 0.00 57.07 55.97 1oat s TYR 133 Cb -0.01 -0.63 -0.03 0.00 -0.40 0.00 0.00 41.96 40.89 1oat s TYR 133 CO 0.29 0.05 1.61 0.45 -1.57 0.00 0.00 175.55 176.38 1oat h HIS 134 N 3.43 0.64 -4.29 2.71 3.86 -1.87 -3.41 115.15 116.22 1oat h HIS 134 Ca -0.38 -0.08 -0.25 0.00 -1.16 0.00 0.00 60.37 58.50 1oat h HIS 134 Cb 1.19 -0.18 -0.15 0.00 1.06 0.00 0.00 27.41 29.33 1oat h HIS 134 CO 0.64 0.64 -0.63 0.15 0.86 0.00 0.00 177.93 179.59 1oat s LYS 135 N -5.24 1.14 -0.00 2.45 1.02 -0.80 -4.94 119.74 113.38 1oat s LYS 135 Ca -0.13 -1.58 0.03 0.00 0.02 0.00 0.00 55.97 54.31 1oat s LYS 135 Cb 0.10 0.10 -0.01 0.00 -0.52 0.00 0.00 37.83 37.50 1oat s LYS 135 CO 0.77 -0.30 -0.10 0.54 -0.92 0.00 0.00 175.35 175.33 1oat s VAL 136 N -3.99 0.80 -0.27 3.17 0.11 -1.26 -2.51 120.40 116.45 1oat s VAL 136 Ca 0.32 -0.51 -0.01 0.00 -2.93 0.00 0.00 61.98 58.85 1oat s VAL 136 Cb 0.07 -0.69 0.04 0.00 -1.53 0.00 0.00 36.38 34.28 1oat s VAL 136 CO 0.08 0.17 -0.06 -0.22 -3.33 0.00 0.00 175.10 171.74 1oat s LEU 137 N -0.39 3.45 0.04 2.54 1.98 -0.52 -4.97 118.68 120.80 1oat s LEU 137 Ca 0.03 -1.12 -0.27 0.00 -2.89 0.00 0.00 54.13 49.89 1oat s LEU 137 Cb -0.04 -1.65 -0.05 0.00 0.66 0.00 0.00 46.19 45.11 1oat s LEU 137 CO -0.00 -0.18 0.83 -2.16 -1.89 0.00 0.00 176.35 172.95 1oat s PRO 138 N 1.25 4.54 0.10 0.98 0.04 -1.26 -1.82 135.00 138.83 1oat s PRO 138 Ca -0.04 1.17 0.01 0.00 0.04 0.00 0.00 61.00 62.19 1oat s PRO 138 Cb -0.18 -3.39 -0.00 0.00 0.04 0.00 0.00 34.50 30.96 1oat s PRO 138 CO -0.04 0.18 0.05 -1.33 0.04 0.00 0.00 177.00 175.90 1oat n MET 139 N 3.12 0.63 -0.06 4.56 2.81 -0.66 -4.39 117.12 123.13 1oat n MET 139 Ca 0.00 -0.88 -0.12 0.00 -1.81 0.00 0.00 57.70 54.89 1oat n MET 139 Cb 0.50 0.55 -0.04 0.00 -0.71 0.00 0.00 33.22 33.52 1oat n MET 139 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1oat n ASN 140 N -2.14 1.46 -4.96 7.83 3.02 -1.26 -1.74 115.26 117.48 1oat n ASN 140 Ca -0.00 0.24 -0.19 0.00 -0.03 0.00 0.00 54.58 54.59 1oat n ASN 140 Cb 0.16 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 1oat n ASN 140 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1oat s THR 141 N -2.46 2.64 0.05 3.41 -4.23 -1.26 -1.56 115.64 112.22 1oat s THR 141 Ca -0.22 -1.16 -0.24 0.00 -1.18 0.00 0.00 61.69 58.90 1oat s THR 141 Cb 0.06 -2.80 -0.16 0.00 1.34 0.00 0.00 72.50 70.94 1oat s THR 141 CO 0.30 0.00 1.54 1.23 -0.54 0.00 0.00 174.62 177.15 1oat h GLY 142 N 0.72 0.06 0.66 3.99 0.00 -1.91 -2.99 103.07 103.60 1oat h GLY 142 Ca -0.39 -0.03 0.08 0.00 0.00 0.00 0.00 47.33 46.99 1oat h GLY 142 CO 0.50 0.03 0.64 -0.39 0.00 0.00 0.00 176.54 177.31 1oat h VAL 143 N -0.16 1.04 -0.65 4.60 -1.51 -1.97 -0.81 116.25 116.80 1oat h VAL 143 Ca 0.01 -0.38 0.05 0.00 -1.23 0.00 0.00 66.70 65.15 1oat h VAL 143 Cb 0.22 -0.17 -0.04 0.00 -2.13 0.00 0.00 31.29 29.17 1oat h VAL 143 CO -0.00 0.20 0.43 -0.33 -1.23 0.00 0.00 177.57 176.64 1oat h GLU 144 N 1.11 0.69 -0.36 5.19 5.08 -1.87 0.98 114.58 125.40 1oat h GLU 144 Ca 0.45 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.63 1oat h GLU 144 Cb 0.25 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1oat h GLU 144 CO -0.20 0.45 -0.32 0.00 -1.00 0.00 0.00 179.01 177.95 1oat h ALA 145 N 1.64 0.52 -0.49 3.43 0.00 -1.03 -2.37 119.26 120.96 1oat h ALA 145 Ca 0.27 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1oat h ALA 145 Cb 0.17 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1oat h ALA 145 CO -0.08 0.57 -0.03 0.78 0.00 0.00 0.00 179.25 180.49 1oat h GLY 146 N 0.64 0.91 1.11 0.00 0.00 -0.58 -1.37 103.07 103.77 1oat h GLY 146 Ca 0.06 -0.64 -0.12 0.00 0.00 0.00 0.00 47.33 46.63 1oat h GLY 146 CO 0.08 0.59 -0.16 0.83 0.00 0.00 0.00 176.54 177.88 1oat h GLU 147 N 0.78 1.03 -0.45 4.80 4.39 -0.84 -1.91 114.58 122.38 1oat h GLU 147 Ca 0.14 -0.41 -0.02 0.00 0.34 0.00 0.00 59.36 59.41 1oat h GLU 147 Cb 0.51 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 1oat h GLU 147 CO 0.03 1.10 0.19 1.15 -1.16 0.00 0.00 179.01 180.32 1oat h THR 148 N 0.90 1.20 -0.81 1.13 2.02 -1.14 -0.84 112.91 115.37 1oat h THR 148 Ca 0.13 -0.59 -0.04 0.00 0.77 0.00 0.00 66.41 66.68 1oat h THR 148 Cb 0.73 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 1oat h THR 148 CO 0.06 0.22 0.34 0.00 0.37 0.00 0.00 175.52 176.51 1oat h ALA 149 N 1.04 1.05 -0.74 6.16 0.00 -1.13 0.86 119.26 126.51 1oat h ALA 149 Ca 0.15 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1oat h ALA 149 Cb 0.17 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1oat h ALA 149 CO -0.01 0.66 0.25 0.00 0.00 0.00 0.00 179.25 180.15 1oat h LYS 151 N 1.08 0.85 -0.32 0.00 1.57 -0.60 -0.97 116.57 118.18 1oat h LYS 151 Ca 0.24 -0.37 -0.06 0.00 -1.87 0.00 0.00 60.65 58.60 1oat h LYS 151 Cb 0.26 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1oat h LYS 151 CO -0.01 1.01 -0.03 1.25 -0.57 0.00 0.00 179.45 181.09 1oat h LEU 152 N 0.73 0.58 -0.46 2.94 5.85 -0.50 -1.48 115.31 122.97 1oat h LEU 152 Ca 0.09 -0.33 -0.04 0.00 0.84 0.00 0.00 57.88 58.45 1oat h LEU 152 Cb 0.80 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 1oat h LEU 152 CO 0.07 0.77 0.15 0.00 -0.34 0.00 0.00 178.44 179.09 1oat h ALA 153 N 0.83 0.61 -0.15 1.25 0.00 -0.65 -0.33 119.26 120.81 1oat h ALA 153 Ca 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1oat h ALA 153 Cb 0.49 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1oat h ALA 153 CO 0.02 0.25 0.02 0.00 0.00 0.00 0.00 179.25 179.54 1oat h ARG 154 N 0.61 0.25 -0.49 0.00 3.08 -1.18 -0.04 114.38 116.61 1oat h ARG 154 Ca 0.15 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.16 1oat h ARG 154 Cb 0.26 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 1oat h ARG 154 CO -0.01 0.44 0.27 -0.22 -1.07 0.00 0.00 179.97 179.39 1oat h LYS 155 N 0.02 0.52 -0.52 0.04 1.63 -1.18 -1.31 116.57 115.77 1oat h LYS 155 Ca 0.04 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.78 1oat h LYS 155 Cb 0.32 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.81 1oat h LYS 155 CO 0.00 0.35 0.20 2.35 -3.45 0.00 0.00 179.45 178.91 1oat h TRP 156 N 0.54 0.80 -0.68 1.91 7.01 -1.02 -1.20 115.95 123.31 1oat h TRP 156 Ca 0.21 -0.06 0.09 0.00 2.11 0.00 0.00 58.89 61.23 1oat h TRP 156 Cb 0.07 -0.24 -0.07 0.00 -2.10 0.00 0.00 29.16 26.82 1oat h TRP 156 CO -0.08 0.66 0.33 0.78 -2.79 0.00 0.00 178.44 177.34 1oat h GLY 157 N 0.71 1.01 0.76 2.65 0.00 -0.30 0.16 103.07 108.06 1oat h GLY 157 Ca 0.17 -0.21 -0.17 0.00 0.00 0.00 0.00 47.33 47.13 1oat h GLY 157 CO -0.01 0.06 -0.69 -0.97 0.00 0.00 0.00 176.54 174.92 1oat h TYR 158 N 0.57 0.60 0.11 5.60 0.05 -1.09 -1.15 116.97 121.66 1oat h TYR 158 Ca 0.33 -0.36 -0.28 0.00 0.05 0.00 0.00 58.73 58.47 1oat h TYR 158 Cb 0.35 -0.05 -0.00 0.00 1.01 0.00 0.00 36.73 38.03 1oat h TYR 158 CO -0.11 1.21 -1.37 1.79 -1.05 0.00 0.00 178.16 178.63 1oat h THR 159 N -0.19 1.34 0.00 -2.88 1.35 -1.14 -3.27 112.91 108.13 1oat h THR 159 Ca -0.10 -2.96 -0.22 0.00 -0.55 0.00 0.00 66.41 62.58 1oat h THR 159 Cb 1.45 2.84 -0.03 0.00 -1.73 0.00 0.00 68.15 70.67 1oat h THR 159 CO 0.13 0.85 -1.67 0.52 -0.25 0.00 0.00 175.52 175.11 1oat n VAL 160 N -3.47 1.42 0.24 6.82 0.31 0.51 -4.62 118.33 119.54 1oat n VAL 160 Ca -0.12 -0.10 0.12 0.00 -0.01 0.00 0.00 64.34 64.23 1oat n VAL 160 Cb 1.03 -2.05 0.52 0.00 -0.91 0.00 0.00 33.84 32.43 1oat n VAL 160 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1oat h LYS 161 N -0.90 0.00 0.00 5.55 3.64 -1.33 -3.47 116.57 120.06 1oat h LYS 161 Ca -0.33 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1oat h LYS 161 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1oat h LYS 161 CO -0.20 0.17 0.00 0.41 -2.27 0.00 0.00 179.45 177.56 1oat n GLY 162 N 0.07 0.59 3.77 5.01 0.00 -0.52 -5.00 105.19 109.11 1oat n GLY 162 Ca 0.00 -0.77 -0.39 0.00 0.00 0.00 0.00 46.02 44.86 1oat n GLY 162 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oat s ILE 163 N -2.00 2.68 0.31 -0.61 1.01 -0.68 -4.95 121.20 116.96 1oat s ILE 163 Ca 0.00 0.59 -0.29 0.00 0.00 0.00 0.00 60.65 60.95 1oat s ILE 163 Cb 0.00 -3.34 -0.10 0.00 0.01 0.00 0.00 42.46 39.03 1oat s ILE 163 CO 0.00 0.07 1.34 -1.58 0.00 0.00 0.00 174.94 174.77 1oat s GLN 164 N -2.32 4.33 -0.28 2.79 0.74 -1.26 -4.49 119.66 119.17 1oat s GLN 164 Ca 0.58 2.23 -0.36 0.00 0.05 0.00 0.00 55.36 57.87 1oat s GLN 164 Cb -0.37 -3.08 -0.12 0.00 1.10 0.00 0.00 33.01 30.54 1oat s GLN 164 CO 0.47 -0.25 2.04 1.17 -0.55 0.00 0.00 175.29 178.17 1oat n LYS 165 N 1.21 1.34 -1.92 1.67 3.00 -1.26 -1.38 118.16 120.82 1oat n LYS 165 Ca 0.02 0.43 -0.00 0.00 -0.00 0.00 0.00 58.31 58.75 1oat n LYS 165 Cb 0.41 -2.45 -0.00 0.00 0.00 0.00 0.00 35.03 33.00 1oat n LYS 165 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1oat n TYR 166 N 8.36 -0.01 0.46 5.64 4.01 -1.26 -4.97 117.16 129.38 1oat n TYR 166 Ca 0.34 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 58.14 1oat n TYR 166 Cb 0.23 -1.00 0.04 0.00 -0.31 0.00 0.00 39.34 38.30 1oat n TYR 166 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1oat n LYS 167 N -1.21 0.60 -2.10 -0.72 5.02 -0.48 -5.00 118.16 114.27 1oat n LYS 167 Ca -0.00 -1.12 -0.41 0.00 -2.02 0.00 0.00 58.31 54.75 1oat n LYS 167 Cb 0.46 -1.20 -0.02 0.00 -0.02 0.00 0.00 35.03 34.24 1oat n LYS 167 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1oat s ALA 168 N -0.94 3.53 0.12 7.82 0.00 -1.26 -4.80 121.76 126.23 1oat s ALA 168 Ca 0.13 1.26 0.09 0.00 0.00 0.00 0.00 51.96 53.43 1oat s ALA 168 Cb 0.09 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 1oat s ALA 168 CO 0.14 -0.66 -0.21 0.15 0.00 0.00 0.00 175.76 175.19 1oat s LYS 169 N -1.37 1.19 -0.06 0.00 1.02 0.32 -4.73 119.74 116.11 1oat s LYS 169 Ca 0.52 -1.24 0.03 0.00 0.02 0.00 0.00 55.97 55.30 1oat s LYS 169 Cb -0.40 -1.42 0.00 0.00 -0.52 0.00 0.00 37.83 35.50 1oat s LYS 169 CO 0.50 0.32 -0.15 0.42 -0.92 0.00 0.00 175.35 175.52 1oat s ILE 170 N -1.37 1.30 -0.11 2.17 1.01 -0.37 -0.09 121.20 123.74 1oat s ILE 170 Ca 0.09 -0.61 -0.07 0.00 0.00 0.00 0.00 60.65 60.06 1oat s ILE 170 Cb -0.09 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 1oat s ILE 170 CO 0.05 0.39 0.16 -0.69 0.00 0.00 0.00 174.94 174.85 1oat s VAL 171 N 0.35 5.47 0.34 2.92 1.01 -0.48 -1.14 120.40 128.87 1oat s VAL 171 Ca -0.10 0.24 0.04 0.00 0.00 0.00 0.00 61.98 62.16 1oat s VAL 171 Cb -0.14 -3.43 -0.06 0.00 0.00 0.00 0.00 36.38 32.75 1oat s VAL 171 CO 0.03 0.60 0.06 -0.36 0.00 0.00 0.00 175.10 175.43 1oat s PHE 172 N -1.05 1.99 -0.08 5.22 0.40 0.14 -1.40 117.98 123.21 1oat s PHE 172 Ca 0.16 -0.95 0.02 0.00 -0.60 0.00 0.00 56.93 55.56 1oat s PHE 172 Cb -0.12 -1.31 -0.02 0.00 0.51 0.00 0.00 43.02 42.07 1oat s PHE 172 CO 0.05 0.02 -0.12 0.00 0.70 0.00 0.00 175.22 175.88 1oat s ALA 173 N -3.25 2.74 0.38 5.36 0.00 -1.26 -1.30 121.76 124.43 1oat s ALA 173 Ca 0.36 -0.93 -0.25 0.00 0.00 0.00 0.00 51.96 51.13 1oat s ALA 173 Cb 0.09 -1.11 -0.12 0.00 0.00 0.00 0.00 23.12 21.98 1oat s ALA 173 CO 0.16 0.46 1.01 0.00 0.00 0.00 0.00 175.76 177.39 1oat n ALA 174 N 2.66 0.11 -0.11 0.00 0.00 0.34 -1.59 120.51 121.92 1oat n ALA 174 Ca -0.18 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1oat n ALA 174 Cb 0.52 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1oat n ALA 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oat n GLY 175 N 1.18 1.23 3.75 0.00 0.00 -1.26 -4.36 105.19 105.73 1oat n GLY 175 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1oat n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oat s ASN 176 N -2.94 4.77 -0.11 1.61 4.22 -0.62 -4.33 114.94 117.53 1oat s ASN 176 Ca 0.00 2.23 -0.04 0.00 -2.14 0.00 0.00 52.86 52.91 1oat s ASN 176 Cb 0.00 -2.58 0.06 0.00 1.28 0.00 0.00 41.25 40.01 1oat s ASN 176 CO 0.00 -1.87 0.22 0.12 -2.04 0.00 0.00 177.10 173.53 1oat s PHE 177 N -2.02 -0.32 -0.01 1.54 5.36 -1.26 -4.76 117.98 116.52 1oat s PHE 177 Ca 0.72 0.81 0.02 0.00 -0.96 0.00 0.00 56.93 57.51 1oat s PHE 177 Cb -0.26 -0.14 0.02 0.00 -0.34 0.00 0.00 43.02 42.30 1oat s PHE 177 CO 0.41 -0.32 0.77 -2.67 -1.46 0.00 0.00 175.22 171.95 1oat n TRP 178 N 5.34 0.00 0.00 10.12 4.27 -1.26 -5.01 117.44 130.90 1oat n TRP 178 Ca -0.05 -0.15 0.00 0.00 -3.89 0.00 0.00 57.50 53.40 1oat n TRP 178 Cb 0.50 -0.03 0.00 0.00 -1.36 0.00 0.00 31.31 30.41 1oat n TRP 178 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1oat n GLY 179 N -0.19 0.94 0.03 -1.67 0.00 -1.26 -3.89 105.19 99.15 1oat n GLY 179 Ca 0.01 -1.99 0.03 0.00 0.00 0.00 0.00 46.02 44.07 1oat n GLY 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oat n ARG 180 N -0.99 2.39 -1.16 1.61 5.12 -1.26 -4.33 116.66 118.05 1oat n ARG 180 Ca 0.00 -1.78 -0.29 0.00 -1.93 0.00 0.00 57.85 53.85 1oat n ARG 180 Cb 0.00 -1.12 0.17 0.00 -1.16 0.00 0.00 32.46 30.35 1oat n ARG 180 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1oat s THR 181 N -1.50 2.17 0.37 0.55 -4.23 -1.26 -4.76 115.64 106.98 1oat s THR 181 Ca 0.09 0.06 0.07 0.00 -1.18 0.00 0.00 61.69 60.73 1oat s THR 181 Cb 0.08 -2.54 0.30 0.00 1.34 0.00 0.00 72.50 71.68 1oat s THR 181 CO 0.01 -0.07 1.96 -0.07 -0.54 0.00 0.00 174.62 175.90 1oat h LEU 182 N -1.86 0.62 -0.18 4.79 4.07 -1.97 -2.02 115.31 118.76 1oat h LEU 182 Ca -0.54 0.01 -0.18 0.00 0.08 0.00 0.00 57.88 57.25 1oat h LEU 182 Cb 1.32 -0.12 0.01 0.00 1.08 0.00 0.00 40.66 42.94 1oat h LEU 182 CO 0.57 0.39 -0.59 0.28 -1.08 0.00 0.00 178.44 178.00 1oat h SER 183 N 0.70 0.83 -0.23 -0.43 0.02 -1.98 -3.06 113.55 109.40 1oat h SER 183 Ca 0.31 -0.60 -0.09 0.00 -0.84 0.00 0.00 61.79 60.58 1oat h SER 183 Cb 0.33 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1oat h SER 183 CO -0.11 1.29 -0.14 0.00 -1.14 0.00 0.00 176.83 176.74 1oat h ALA 184 N 0.57 1.10 0.00 3.77 0.00 -1.74 -2.35 119.26 120.61 1oat h ALA 184 Ca -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1oat h ALA 184 Cb 1.22 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1oat h ALA 184 CO 0.13 0.56 0.00 0.44 0.00 0.00 0.00 179.25 180.37 1oat n ILE 185 N -4.17 0.06 0.70 0.00 -5.35 -0.80 -3.10 119.36 106.70 1oat n ILE 185 Ca 0.01 0.02 0.13 0.00 -0.27 0.00 0.00 62.75 62.63 1oat n ILE 185 Cb 0.36 -0.53 0.47 0.00 -1.74 0.00 0.00 39.64 38.19 1oat n ILE 185 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1oat n SER 186 N -1.46 0.53 -0.53 7.28 7.64 -0.88 -2.83 113.62 123.37 1oat n SER 186 Ca 0.08 0.56 0.05 0.00 1.01 0.00 0.00 58.87 60.57 1oat n SER 186 Cb 0.31 -0.70 0.12 0.00 -1.01 0.00 0.00 64.21 62.93 1oat n SER 186 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1oat n SER 187 N -2.01 2.60 -4.81 6.43 3.41 -1.18 -4.87 113.62 113.20 1oat n SER 187 Ca 0.05 -1.87 -0.36 0.00 -0.26 0.00 0.00 58.87 56.43 1oat n SER 187 Cb 0.37 -0.16 -0.06 0.00 -0.26 0.00 0.00 64.21 64.10 1oat n SER 187 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1oat s SER 188 N -0.96 7.13 0.00 4.04 0.15 -1.13 -4.82 113.70 118.11 1oat s SER 188 Ca 0.19 1.51 0.14 0.00 0.70 0.00 0.00 55.95 58.49 1oat s SER 188 Cb 0.10 -2.45 0.37 0.00 -1.71 0.00 0.00 66.02 62.33 1oat s SER 188 CO 0.14 0.02 1.29 0.35 1.20 0.00 0.00 173.24 176.24 1oat n THR 189 N 0.73 0.89 -3.28 6.45 -2.24 -1.26 -4.88 114.28 110.68 1oat n THR 189 Ca -0.02 -0.94 -0.43 0.00 -2.27 0.00 0.00 64.05 60.39 1oat n THR 189 Cb 0.51 0.59 -0.08 0.00 -2.10 0.00 0.00 70.33 69.25 1oat n THR 189 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1oat s ASP 190 N -1.03 6.21 0.38 3.42 -1.08 -1.26 -4.95 116.67 118.36 1oat s ASP 190 Ca 0.29 -0.76 0.14 0.00 -0.52 0.00 0.00 52.55 51.69 1oat s ASP 190 Cb 0.15 -2.24 0.97 0.00 -1.46 0.00 0.00 42.92 40.35 1oat s ASP 190 CO 0.20 -0.67 1.83 -0.65 0.52 0.00 0.00 175.17 176.41 1oat h PRO 191 N 8.80 0.51 -0.32 4.34 0.11 -1.99 -0.62 132.00 142.83 1oat h PRO 191 Ca -0.27 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.86 1oat h PRO 191 Cb 1.11 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 1oat h PRO 191 CO 0.85 0.34 0.22 1.15 -0.21 0.00 0.00 178.00 180.34 1oat h THR 192 N 0.53 0.95 0.12 -1.15 2.02 -1.94 -0.21 112.91 113.23 1oat h THR 192 Ca 0.50 -0.07 -0.28 0.00 0.77 0.00 0.00 66.41 67.33 1oat h THR 192 Cb 1.07 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1oat h THR 192 CO -0.23 0.04 -1.27 0.28 0.37 0.00 0.00 175.52 174.71 1oat h SER 193 N 0.21 0.41 0.00 4.18 0.02 -1.51 -3.40 113.55 113.46 1oat h SER 193 Ca 0.14 -0.45 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1oat h SER 193 Cb 0.29 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1oat h SER 193 CO -0.03 1.35 -0.79 0.00 -1.14 0.00 0.00 176.83 176.23 1oat n TYR 194 N -3.52 0.00 -1.82 3.45 0.18 -1.09 -4.89 117.16 109.47 1oat n TYR 194 Ca -0.09 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.27 1oat n TYR 194 Cb 1.02 -0.07 -0.03 0.00 -0.38 0.00 0.00 39.34 39.88 1oat n TYR 194 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 1oat s ASP 195 N -2.14 6.52 0.00 9.48 2.15 -0.11 -1.62 116.67 130.95 1oat s ASP 195 Ca -0.00 2.59 0.00 0.00 0.43 0.00 0.00 52.55 55.57 1oat s ASP 195 Cb 0.04 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 1oat s ASP 195 CO 0.25 -0.95 0.00 0.61 -0.17 0.00 0.00 175.17 174.91 1oat n GLY 196 N 4.16 0.79 2.78 2.66 0.00 -1.26 -4.97 105.19 109.35 1oat n GLY 196 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1oat n GLY 196 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1oat n PHE 197 N -2.00 2.70 -2.80 1.61 3.72 -0.64 -5.02 117.46 115.02 1oat n PHE 197 Ca 0.00 -2.32 0.02 0.00 -0.05 0.00 0.00 57.45 55.09 1oat n PHE 197 Cb 0.00 -1.25 -0.00 0.00 -0.94 0.00 0.00 39.48 37.28 1oat n PHE 197 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1oat n GLY 198 N -0.11 -0.64 3.76 1.37 0.00 -1.26 -4.78 105.19 103.52 1oat n GLY 198 Ca 0.52 -0.62 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 1oat n GLY 198 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1oat s PRO 199 N -0.23 2.97 0.27 1.61 0.04 -1.26 -5.03 135.00 133.37 1oat s PRO 199 Ca 0.00 1.76 0.02 0.00 0.04 0.00 0.00 61.00 62.82 1oat s PRO 199 Cb 0.00 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 1oat s PRO 199 CO 0.00 -1.19 0.44 -0.06 0.04 0.00 0.00 177.00 176.22 1oat s PHE 200 N -1.69 3.48 -0.03 0.56 0.08 -1.26 -5.06 117.98 114.06 1oat s PHE 200 Ca 0.76 0.21 -0.30 0.00 0.12 0.00 0.00 56.93 57.72 1oat s PHE 200 Cb -0.29 -1.76 -0.06 0.00 -0.57 0.00 0.00 43.02 40.34 1oat s PHE 200 CO 0.33 0.30 1.70 1.41 -0.10 0.00 0.00 175.22 178.87 1oat s MET 201 N -3.95 4.18 0.83 0.44 0.00 -1.26 -5.00 119.30 114.54 1oat s MET 201 Ca 0.37 2.27 -0.12 0.00 0.00 0.00 0.00 55.69 58.21 1oat s MET 201 Cb -0.10 -3.97 0.09 0.00 0.00 0.00 0.00 34.83 30.85 1oat s MET 201 CO 0.32 -0.85 1.12 -1.25 0.00 0.00 0.00 175.02 174.36 1oat s PRO 202 N 3.96 1.81 0.00 4.11 0.04 -1.26 -4.22 135.00 139.44 1oat s PRO 202 Ca 0.76 0.41 0.00 0.00 0.04 0.00 0.00 61.00 62.21 1oat s PRO 202 Cb -0.35 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1oat s PRO 202 CO 0.32 -1.76 0.00 0.41 0.04 0.00 0.00 177.00 176.01 1oat n GLY 203 N -2.44 0.62 3.28 0.56 0.00 -1.26 -5.03 105.19 100.92 1oat n GLY 203 Ca 0.07 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1oat n GLY 203 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1oat s PHE 204 N -2.00 3.19 0.07 1.61 0.08 -1.26 -1.24 117.98 118.43 1oat s PHE 204 Ca 0.00 -1.33 0.01 0.00 0.12 0.00 0.00 56.93 55.74 1oat s PHE 204 Cb 0.00 -2.22 -0.04 0.00 -0.57 0.00 0.00 43.02 40.19 1oat s PHE 204 CO 0.00 -0.68 0.16 -0.51 -0.10 0.00 0.00 175.22 174.09 1oat s ASP 205 N 1.41 6.03 -0.06 1.36 1.01 -0.29 -4.99 116.67 121.14 1oat s ASP 205 Ca -0.00 0.16 0.03 0.00 0.71 0.00 0.00 52.55 53.45 1oat s ASP 205 Cb -0.18 -1.77 0.01 0.00 1.01 0.00 0.00 42.92 41.98 1oat s ASP 205 CO 0.01 0.17 -0.15 -0.63 0.21 0.00 0.00 175.17 174.78 1oat s ILE 206 N -1.46 1.36 0.28 0.77 1.01 -1.26 0.28 121.20 122.18 1oat s ILE 206 Ca 0.33 -0.63 0.04 0.00 0.00 0.00 0.00 60.65 60.38 1oat s ILE 206 Cb -0.13 -1.21 -0.06 0.00 0.01 0.00 0.00 42.46 41.08 1oat s ILE 206 CO 0.26 0.40 0.02 0.27 0.00 0.00 0.00 174.94 175.89 1oat s ILE 207 N 0.42 1.14 0.73 2.92 -4.36 -0.42 -4.93 121.20 116.69 1oat s ILE 207 Ca -0.12 -2.03 -0.12 0.00 -0.26 0.00 0.00 60.65 58.12 1oat s ILE 207 Cb -0.15 -2.56 0.04 0.00 1.25 0.00 0.00 42.46 41.04 1oat s ILE 207 CO 0.04 -0.16 1.10 -2.84 0.24 0.00 0.00 174.94 173.32 1oat s PRO 208 N -3.87 2.43 0.65 0.37 0.02 -1.26 -0.51 135.00 132.83 1oat s PRO 208 Ca 0.33 1.28 -0.10 0.00 0.02 0.00 0.00 61.00 62.52 1oat s PRO 208 Cb 0.07 -1.91 -0.01 0.00 0.02 0.00 0.00 34.50 32.67 1oat s PRO 208 CO 0.12 -1.52 1.04 -0.47 -0.33 0.00 0.00 177.00 175.83 1oat s TYR 209 N -2.65 3.44 -1.40 6.54 5.04 -1.26 -4.22 117.35 122.83 1oat s TYR 209 Ca 0.64 1.08 -0.01 0.00 -2.44 0.00 0.00 57.07 56.34 1oat s TYR 209 Cb -0.19 -2.87 0.00 0.00 0.35 0.00 0.00 41.96 39.25 1oat s TYR 209 CO 0.50 -0.92 0.40 -1.71 -1.34 0.00 0.00 175.55 172.49 1oat n ASN 210 N -2.83 -0.42 -3.35 4.32 5.15 -1.26 -4.94 115.26 111.93 1oat n ASN 210 Ca 0.06 -1.03 -0.13 0.00 -0.60 0.00 0.00 54.58 52.88 1oat n ASN 210 Cb 0.56 -2.96 -0.08 0.00 -0.53 0.00 0.00 39.78 36.77 1oat n ASN 210 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1oat s ASP 211 N -4.34 0.98 0.07 1.20 -1.08 -1.26 -4.93 116.67 107.32 1oat s ASP 211 Ca 0.02 -0.77 -0.18 0.00 -0.52 0.00 0.00 52.55 51.10 1oat s ASP 211 Cb -0.01 0.79 -0.11 0.00 -1.46 0.00 0.00 42.92 42.14 1oat s ASP 211 CO 0.90 -0.35 1.42 -0.07 0.52 0.00 0.00 175.17 177.59 1oat h LEU 212 N 7.96 0.48 -1.19 -1.34 4.07 -1.92 -2.86 115.31 120.51 1oat h LEU 212 Ca -0.07 -0.42 0.09 0.00 0.08 0.00 0.00 57.88 57.55 1oat h LEU 212 Cb 1.09 -0.13 -0.06 0.00 1.08 0.00 0.00 40.66 42.64 1oat h LEU 212 CO 0.28 0.79 0.58 -0.65 -1.08 0.00 0.00 178.44 178.36 1oat h PRO 213 N 0.16 0.90 -0.59 1.13 0.11 -1.99 0.31 132.00 132.03 1oat h PRO 213 Ca 0.05 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.01 1oat h PRO 213 Cb 0.62 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 1oat h PRO 213 CO 0.03 0.59 -0.02 0.00 -0.21 0.00 0.00 178.00 178.40 1oat h ALA 214 N 1.54 0.86 -0.19 -0.75 0.00 -1.94 -1.60 119.26 117.18 1oat h ALA 214 Ca 0.40 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1oat h ALA 214 Cb 0.34 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1oat h ALA 214 CO -0.17 0.66 0.04 1.25 0.00 0.00 0.00 179.25 181.03 1oat h LEU 215 N 0.94 0.30 -0.71 0.00 6.46 -1.11 -1.65 115.31 119.54 1oat h LEU 215 Ca 0.17 -0.25 0.00 0.00 -0.12 0.00 0.00 57.88 57.68 1oat h LEU 215 Cb 0.57 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.38 1oat h LEU 215 CO 0.03 0.48 0.46 -0.08 -0.62 0.00 0.00 178.44 178.70 1oat h GLU 216 N 0.12 0.95 -0.68 1.25 4.81 -0.85 -0.06 114.58 120.12 1oat h GLU 216 Ca 0.06 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1oat h GLU 216 Cb 0.30 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 1oat h GLU 216 CO 0.00 0.65 0.26 -0.09 -0.73 0.00 0.00 179.01 179.10 1oat h ARG 217 N 0.97 1.03 -0.43 1.92 2.43 -1.22 -2.85 114.38 116.24 1oat h ARG 217 Ca 0.26 -0.20 -0.11 0.00 -0.81 0.00 0.00 59.98 59.12 1oat h ARG 217 Cb -0.08 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.30 1oat h ARG 217 CO -0.05 0.87 -0.19 0.00 -1.51 0.00 0.00 179.97 179.08 1oat h ALA 218 N 1.11 0.86 0.00 2.80 0.00 -0.44 -2.86 119.26 120.73 1oat h ALA 218 Ca 0.23 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1oat h ALA 218 Cb 0.23 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1oat h ALA 218 CO -0.02 0.64 0.00 1.28 0.00 0.00 0.00 179.25 181.15 1oat n LEU 219 N -4.12 0.00 0.23 0.00 4.77 -0.12 -2.91 117.00 114.85 1oat n LEU 219 Ca 0.00 0.09 0.09 0.00 -0.03 0.00 0.00 56.01 56.16 1oat n LEU 219 Cb 0.42 -0.09 0.55 0.00 -2.33 0.00 0.00 43.42 41.97 1oat n LEU 219 CO 0.45 -0.03 0.86 1.56 -1.33 0.00 0.00 177.39 178.89 1oat h GLN 220 N 0.00 0.00 -6.31 3.23 1.08 -1.42 -3.42 115.11 108.27 1oat h GLN 220 Ca 0.00 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.63 1oat h GLN 220 Cb 0.06 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.44 1oat h GLN 220 CO 0.00 0.22 0.96 0.34 -0.95 0.00 0.00 178.83 179.40 1oat s ASP 221 N -6.40 6.72 0.00 1.46 -1.08 -1.15 -4.90 116.67 111.33 1oat s ASP 221 Ca -0.02 1.29 0.08 0.00 -0.52 0.00 0.00 52.55 53.38 1oat s ASP 221 Cb 0.13 -2.54 0.40 0.00 -1.46 0.00 0.00 42.92 39.45 1oat s ASP 221 CO 0.64 -1.02 1.09 -0.81 0.52 0.00 0.00 175.17 175.59 1oat n PRO 222 N 7.18 0.13 -0.01 4.34 -0.04 -1.26 -2.40 135.00 142.94 1oat n PRO 222 Ca 0.15 0.19 0.13 0.00 -0.04 0.00 0.00 63.50 63.92 1oat n PRO 222 Cb 0.46 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.78 1oat n PRO 222 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1oat n ASN 223 N -1.25 2.08 -4.71 3.54 3.02 -1.26 -4.87 115.26 111.81 1oat n ASN 223 Ca 0.04 -1.70 -0.42 0.00 -0.03 0.00 0.00 54.58 52.47 1oat n ASN 223 Cb 0.06 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.18 1oat n ASN 223 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1oat s VAL 224 N -1.97 4.86 -0.14 2.41 1.01 -1.01 -0.52 120.40 125.04 1oat s VAL 224 Ca 0.34 2.05 0.16 0.00 0.00 0.00 0.00 61.98 64.53 1oat s VAL 224 Cb 0.21 -4.31 -0.23 0.00 0.00 0.00 0.00 36.38 32.04 1oat s VAL 224 CO 0.32 0.16 0.13 0.00 0.00 0.00 0.00 175.10 175.71 1oat n ALA 225 N 3.90 1.81 -3.50 5.51 0.00 0.86 -4.81 120.51 124.29 1oat n ALA 225 Ca 0.06 -1.00 -0.11 0.00 0.00 0.00 0.00 53.44 52.40 1oat n ALA 225 Cb 0.51 -0.23 -0.02 0.00 0.00 0.00 0.00 19.45 19.71 1oat n ALA 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1oat s ALA 226 N -2.60 -1.56 -0.10 0.00 0.00 -1.22 -1.52 121.76 114.75 1oat s ALA 226 Ca -0.08 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.29 1oat s ALA 226 Cb 0.07 0.84 0.02 0.00 0.00 0.00 0.00 23.12 24.05 1oat s ALA 226 CO 0.72 -0.81 -0.08 0.12 0.00 0.00 0.00 175.76 175.71 1oat s PHE 227 N -3.71 1.42 -0.17 0.00 5.36 -0.02 -1.38 117.98 119.48 1oat s PHE 227 Ca 0.03 -0.65 -0.04 0.00 -0.96 0.00 0.00 56.93 55.31 1oat s PHE 227 Cb -0.02 -1.15 -0.02 0.00 -0.34 0.00 0.00 43.02 41.48 1oat s PHE 227 CO -0.09 -0.43 -0.03 1.41 -1.46 0.00 0.00 175.22 174.62 1oat s MET 228 N 1.41 3.63 0.05 10.12 -2.45 -0.49 -1.18 119.30 130.39 1oat s MET 228 Ca -0.01 -0.53 -0.07 0.00 -1.25 0.00 0.00 55.69 53.83 1oat s MET 228 Cb -0.13 -2.97 -0.01 0.00 1.25 0.00 0.00 34.83 32.97 1oat s MET 228 CO -0.05 0.14 0.13 0.14 1.05 0.00 0.00 175.02 176.44 1oat s VAL 229 N 0.64 0.14 -0.13 10.11 -7.23 -0.67 -4.10 120.40 119.16 1oat s VAL 229 Ca -0.02 -1.12 -0.12 0.00 -1.81 0.00 0.00 61.98 58.92 1oat s VAL 229 Cb -0.14 -1.05 -0.05 0.00 0.56 0.00 0.00 36.38 35.70 1oat s VAL 229 CO 0.02 -0.62 0.26 -1.61 -0.31 0.00 0.00 175.10 172.85 1oat s GLU 230 N -2.99 3.99 0.43 4.82 2.02 -1.26 -1.27 118.70 124.44 1oat s GLU 230 Ca -0.02 0.06 0.12 0.00 0.02 0.00 0.00 54.97 55.15 1oat s GLU 230 Cb 0.01 -3.33 0.93 0.00 0.10 0.00 0.00 34.13 31.84 1oat s GLU 230 CO -0.06 0.46 1.99 -1.35 0.02 0.00 0.00 175.26 176.31 1oat h PRO 231 N 5.91 0.17 -3.45 0.39 0.11 -1.97 -3.40 132.00 129.76 1oat h PRO 231 Ca -0.46 -0.03 -0.29 0.00 0.11 0.00 0.00 66.00 65.32 1oat h PRO 231 Cb 1.19 -0.03 -0.34 0.00 0.11 0.00 0.00 31.00 31.93 1oat h PRO 231 CO 0.69 0.26 -0.70 0.42 -0.21 0.00 0.00 178.00 178.46 1oat s ILE 232 N -4.83 -0.07 -0.57 4.15 1.01 -1.26 -4.35 121.20 115.28 1oat s ILE 232 Ca -0.05 0.23 -0.26 0.00 0.00 0.00 0.00 60.65 60.57 1oat s ILE 232 Cb 0.16 -0.12 0.04 0.00 0.01 0.00 0.00 42.46 42.55 1oat s ILE 232 CO 0.71 0.09 1.07 -1.10 0.00 0.00 0.00 174.94 175.72 1oat s GLN 233 N 1.20 3.42 -0.01 2.79 -0.21 -0.69 -4.85 119.66 121.31 1oat s GLN 233 Ca -0.08 -0.02 -0.04 0.00 0.02 0.00 0.00 55.36 55.25 1oat s GLN 233 Cb -0.13 -4.04 -0.02 0.00 1.00 0.00 0.00 33.01 29.83 1oat s GLN 233 CO -0.04 -1.59 0.45 0.78 -2.12 0.00 0.00 175.29 172.77 1oat h GLY 234 N 11.47 -0.14 1.82 3.09 0.00 -1.92 0.83 103.07 118.23 1oat h GLY 234 Ca -0.26 0.05 0.02 0.00 0.00 0.00 0.00 47.33 47.14 1oat h GLY 234 CO 1.14 -0.05 0.07 0.83 0.00 0.00 0.00 176.54 178.53 1oat h GLU 235 N -0.28 0.00 0.00 4.80 4.39 -1.93 0.12 114.58 121.69 1oat h GLU 235 Ca -0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1oat h GLU 235 Cb 0.10 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1oat h GLU 235 CO 0.02 0.00 -0.01 0.00 -1.16 0.00 0.00 179.01 177.86 1oat h ALA 236 N 1.91 1.01 0.00 3.43 0.00 -1.75 -3.45 119.26 120.40 1oat h ALA 236 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1oat h ALA 236 Cb 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1oat h ALA 236 CO -0.00 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1oat n GLY 237 N -0.23 0.92 3.62 0.00 0.00 0.35 -4.83 105.19 105.02 1oat n GLY 237 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1oat n GLY 237 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1oat n VAL 238 N 0.00 -6.01 -3.21 1.61 0.31 -0.39 -4.90 118.33 105.74 1oat n VAL 238 Ca 0.00 -0.72 -0.43 0.00 -0.01 0.00 0.00 64.34 63.18 1oat n VAL 238 Cb 0.00 -4.45 -0.08 0.00 -0.91 0.00 0.00 33.84 28.41 1oat n VAL 238 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1oat s VAL 239 N -3.33 4.95 -0.11 2.52 0.11 0.15 -4.71 120.40 119.98 1oat s VAL 239 Ca 0.34 -0.17 -0.24 0.00 -2.93 0.00 0.00 61.98 58.98 1oat s VAL 239 Cb -0.12 -4.14 -0.03 0.00 -1.53 0.00 0.00 36.38 30.56 1oat s VAL 239 CO 0.85 -0.54 0.76 -0.69 -3.33 0.00 0.00 175.10 172.16 1oat s VAL 240 N 2.48 4.97 0.71 2.04 1.01 -1.26 -1.71 120.40 128.65 1oat s VAL 240 Ca 0.17 1.54 -0.11 0.00 0.00 0.00 0.00 61.98 63.57 1oat s VAL 240 Cb -0.16 -4.09 0.02 0.00 0.00 0.00 0.00 36.38 32.15 1oat s VAL 240 CO 0.16 0.14 1.10 -2.16 0.00 0.00 0.00 175.10 174.34 1oat s PRO 241 N 1.45 2.75 0.68 2.72 0.04 -1.26 -5.03 135.00 136.35 1oat s PRO 241 Ca 0.38 0.40 -0.16 0.00 0.04 0.00 0.00 61.00 61.65 1oat s PRO 241 Cb -0.17 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.35 1oat s PRO 241 CO 0.16 -1.09 1.20 -0.51 0.04 0.00 0.00 177.00 176.80 1oat s ASP 242 N -4.39 4.61 0.34 6.66 1.01 -1.26 -4.92 116.67 118.72 1oat s ASP 242 Ca 0.58 2.35 -0.29 0.00 0.71 0.00 0.00 52.55 55.91 1oat s ASP 242 Cb -0.11 -2.59 -0.11 0.00 1.01 0.00 0.00 42.92 41.12 1oat s ASP 242 CO 0.51 -1.98 1.54 -2.84 0.21 0.00 0.00 175.17 172.61 1oat s PRO 243 N -3.72 4.10 0.00 8.23 0.02 -1.26 -1.96 135.00 140.41 1oat s PRO 243 Ca 0.75 2.59 0.00 0.00 0.02 0.00 0.00 61.00 64.36 1oat s PRO 243 Cb -0.29 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.24 1oat s PRO 243 CO 0.41 -0.59 0.00 0.41 -0.33 0.00 0.00 177.00 176.90 1oat n GLY 244 N 1.20 2.56 0.10 0.52 0.00 -1.26 -4.95 105.19 103.37 1oat n GLY 244 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 1oat n GLY 244 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1oat h TYR 245 N 0.00 -0.02 -0.03 1.61 3.20 -1.75 -0.08 116.97 119.90 1oat h TYR 245 Ca 0.00 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.82 1oat h TYR 245 Cb 0.00 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1oat h TYR 245 CO 0.00 -0.03 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.15 1oat h LEU 246 N 0.06 0.05 -0.22 2.82 3.38 -1.93 -0.64 115.31 118.83 1oat h LEU 246 Ca 0.09 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 1oat h LEU 246 Cb 0.12 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1oat h LEU 246 CO -0.16 0.32 -0.41 0.24 0.09 0.00 0.00 178.44 178.52 1oat h MET 247 N 0.05 0.67 -0.59 1.13 2.86 -1.76 -2.31 114.93 114.98 1oat h MET 247 Ca 0.01 -0.42 -0.04 0.00 -2.06 0.00 0.00 59.70 57.19 1oat h MET 247 Cb 0.50 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.19 1oat h MET 247 CO 0.04 1.04 0.22 0.78 1.06 0.00 0.00 176.91 180.05 1oat h GLY 248 N 0.37 0.95 1.01 8.32 0.00 -0.42 -1.82 103.07 111.48 1oat h GLY 248 Ca 0.01 -0.53 0.01 0.00 0.00 0.00 0.00 47.33 46.82 1oat h GLY 248 CO 0.09 0.50 0.51 -2.08 0.00 0.00 0.00 176.54 175.56 1oat h VAL 249 N 0.82 1.20 0.26 4.60 2.07 -1.12 0.29 116.25 124.36 1oat h VAL 249 Ca 0.19 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1oat h VAL 249 Cb 0.22 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1oat h VAL 249 CO -0.01 0.19 -0.13 -0.09 0.02 0.00 0.00 177.57 177.55 1oat h ARG 250 N 1.04 -0.34 -0.41 1.57 9.65 -1.20 -0.32 114.38 124.36 1oat h ARG 250 Ca 0.28 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.19 1oat h ARG 250 Cb -0.12 0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.52 1oat h ARG 250 CO -0.06 -0.20 0.27 1.49 2.80 0.00 0.00 179.97 184.27 1oat h GLU 251 N -0.39 0.54 -0.49 0.20 4.81 -1.04 -0.97 114.58 117.24 1oat h GLU 251 Ca -0.04 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1oat h GLU 251 Cb 0.30 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1oat h GLU 251 CO 0.06 0.36 0.21 -0.07 -0.73 0.00 0.00 179.01 178.84 1oat h LEU 252 N 0.56 0.67 -0.27 1.64 4.07 -0.89 -1.36 115.31 119.72 1oat h LEU 252 Ca 0.15 -0.15 -0.03 0.00 0.08 0.00 0.00 57.88 57.93 1oat h LEU 252 Cb -0.06 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.49 1oat h LEU 252 CO -0.03 0.64 0.05 0.00 -1.08 0.00 0.00 178.44 178.01 1oat h THR 254 N 0.27 1.16 -0.83 0.00 2.02 -1.03 -0.81 112.91 113.68 1oat h THR 254 Ca 0.08 -0.40 -0.03 0.00 0.77 0.00 0.00 66.41 66.83 1oat h THR 254 Cb 0.32 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 1oat h THR 254 CO 0.00 0.17 0.39 -0.09 0.37 0.00 0.00 175.52 176.35 1oat h ARG 255 N 0.57 1.20 -0.44 6.66 2.43 -1.18 -3.08 114.38 120.54 1oat h ARG 255 Ca 0.15 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1oat h ARG 255 Cb 0.05 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 1oat h ARG 255 CO -0.03 0.93 0.00 0.72 -1.51 0.00 0.00 179.97 180.08 1oat n HIS 256 N -4.30 0.58 -3.36 2.20 8.25 -0.71 -4.96 115.22 112.92 1oat n HIS 256 Ca 0.08 -0.29 -0.17 0.00 -0.26 0.00 0.00 57.72 57.09 1oat n HIS 256 Cb 0.15 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.34 1oat n HIS 256 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1oat n GLN 257 N 1.20 -4.20 -4.75 -0.41 7.27 -0.62 -5.02 117.38 110.86 1oat n GLN 257 Ca 0.19 0.84 -0.24 0.00 0.07 0.00 0.00 57.00 57.86 1oat n GLN 257 Cb 0.52 -5.78 -0.16 0.00 2.41 0.00 0.00 30.24 27.23 1oat n GLN 257 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1oat s VAL 258 N -3.39 1.28 0.11 1.69 1.01 -0.41 -4.92 120.40 115.77 1oat s VAL 258 Ca 0.25 -0.67 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 1oat s VAL 258 Cb -0.03 -1.08 -0.06 0.00 0.00 0.00 0.00 36.38 35.20 1oat s VAL 258 CO 0.74 0.37 1.08 -0.76 0.00 0.00 0.00 175.10 176.52 1oat s LEU 259 N -0.17 4.45 -0.48 3.92 1.43 -0.58 -4.36 118.68 122.89 1oat s LEU 259 Ca 0.02 1.95 -0.18 0.00 -1.03 0.00 0.00 54.13 54.90 1oat s LEU 259 Cb -0.08 -3.59 0.05 0.00 0.03 0.00 0.00 46.19 42.60 1oat s LEU 259 CO 0.00 -0.25 0.51 0.12 0.23 0.00 0.00 176.35 176.97 1oat s PHE 260 N 0.26 3.14 -0.30 0.29 2.19 -1.26 -0.84 117.98 121.47 1oat s PHE 260 Ca 0.51 -0.61 -0.11 0.00 0.33 0.00 0.00 56.93 57.05 1oat s PHE 260 Cb -0.27 -3.27 -0.03 0.00 -1.31 0.00 0.00 43.02 38.14 1oat s PHE 260 CO 0.32 -0.88 0.17 0.42 1.83 0.00 0.00 175.22 177.08 1oat s ILE 261 N 2.22 4.99 -0.25 3.12 1.01 -0.32 -0.41 121.20 131.56 1oat s ILE 261 Ca 0.11 -0.10 -0.08 0.00 0.00 0.00 0.00 60.65 60.58 1oat s ILE 261 Cb -0.20 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 1oat s ILE 261 CO 0.11 0.17 0.10 0.00 0.00 0.00 0.00 174.94 175.32 1oat s ALA 262 N 1.70 3.31 -0.61 9.38 0.00 -0.13 -1.66 121.76 133.74 1oat s ALA 262 Ca 0.06 -1.05 -0.21 0.00 0.00 0.00 0.00 51.96 50.76 1oat s ALA 262 Cb -0.16 -2.17 0.08 0.00 0.00 0.00 0.00 23.12 20.86 1oat s ALA 262 CO 0.09 -0.39 0.85 0.34 0.00 0.00 0.00 175.76 176.64 1oat s ASP 263 N 1.44 6.20 -0.33 0.00 -1.08 -0.40 -1.70 116.67 120.80 1oat s ASP 263 Ca 0.06 -1.06 0.08 0.00 -0.52 0.00 0.00 52.55 51.11 1oat s ASP 263 Cb -0.15 -2.37 0.57 0.00 -1.46 0.00 0.00 42.92 39.51 1oat s ASP 263 CO 0.05 -1.27 1.60 -0.62 0.52 0.00 0.00 175.17 175.46 1oat n GLU 264 N 7.10 2.14 0.21 4.34 -0.58 -0.52 -4.26 120.64 129.08 1oat n GLU 264 Ca -0.05 -3.11 0.05 0.00 -0.42 0.00 0.00 57.16 53.62 1oat n GLU 264 Cb 0.45 -1.94 0.47 0.00 -0.57 0.00 0.00 31.44 29.85 1oat n GLU 264 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1oat h ILE 265 N 1.16 1.14 0.00 -3.67 2.04 -1.82 -0.50 117.51 115.85 1oat h ILE 265 Ca 0.32 -0.81 -0.16 0.00 1.00 0.00 0.00 64.86 65.20 1oat h ILE 265 Cb 2.00 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 39.50 1oat h ILE 265 CO 0.59 0.23 -1.61 1.67 0.00 0.00 0.00 178.15 179.03 1oat n GLN 266 N -4.21 1.47 0.15 2.37 7.27 -1.26 -4.20 117.38 118.96 1oat n GLN 266 Ca -0.02 0.03 0.11 0.00 0.07 0.00 0.00 57.00 57.19 1oat n GLN 266 Cb 0.29 -1.22 0.07 0.00 2.41 0.00 0.00 30.24 31.79 1oat n GLN 266 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 1oat h THR 267 N 0.00 0.03 -2.25 1.69 1.35 -1.84 -3.47 112.91 108.42 1oat h THR 267 Ca -0.24 -1.05 -0.07 0.00 -0.55 0.00 0.00 66.41 64.50 1oat h THR 267 Cb 1.46 1.74 0.03 0.00 -1.73 0.00 0.00 68.15 69.65 1oat h THR 267 CO -0.01 0.02 0.06 0.61 -0.25 0.00 0.00 175.52 175.95 1oat n GLY 268 N 1.15 -1.34 3.62 5.82 0.00 -0.20 -3.88 105.19 110.36 1oat n GLY 268 Ca 0.01 -1.65 -0.23 0.00 0.00 0.00 0.00 46.02 44.15 1oat n GLY 268 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1oat n LEU 269 N 0.00 -3.47 0.00 0.99 4.77 0.73 -3.08 117.00 116.95 1oat n LEU 269 Ca 0.03 -0.86 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 1oat n LEU 269 Cb 0.10 -2.68 0.00 0.00 -2.33 0.00 0.00 43.42 38.51 1oat n LEU 269 CO 0.07 0.37 0.00 0.00 -1.33 0.00 0.00 177.39 176.50 1oat n ALA 270 N -4.06 0.00 -0.36 -1.18 0.00 -0.67 -4.88 120.51 109.36 1oat n ALA 270 Ca -0.20 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.31 1oat n ALA 270 Cb 0.64 -0.26 0.23 0.00 0.00 0.00 0.00 19.45 20.07 1oat n ALA 270 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1oat h ARG 271 N 1.25 0.94 -0.02 0.00 9.65 -1.71 -2.06 114.38 122.44 1oat h ARG 271 Ca 0.00 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 1oat h ARG 271 Cb 0.00 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 28.37 1oat h ARG 271 CO 0.00 0.62 -0.14 0.25 2.80 0.00 0.00 179.97 183.50 1oat n THR 272 N -4.64 0.00 0.00 0.20 -2.24 -1.25 -0.25 114.28 106.11 1oat n THR 272 Ca 0.19 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1oat n THR 272 Cb 0.35 1.20 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 1oat n THR 272 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oat n GLY 273 N 1.34 1.12 3.20 3.38 0.00 -0.77 -2.31 105.19 111.16 1oat n GLY 273 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 1oat n GLY 273 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1oat s ARG 274 N -0.18 1.15 0.26 1.61 1.81 -1.26 -4.42 118.95 117.92 1oat s ARG 274 Ca 0.00 -1.59 -0.04 0.00 -1.72 0.00 0.00 55.73 52.38 1oat s ARG 274 Cb 0.00 0.17 0.34 0.00 -0.45 0.00 0.00 34.95 35.01 1oat s ARG 274 CO 0.00 -0.33 1.91 -1.49 -0.68 0.00 0.00 175.30 174.71 1oat h TRP 275 N 2.66 1.22 -3.89 -0.53 4.06 -1.95 -1.79 115.95 115.73 1oat h TRP 275 Ca -0.36 0.03 -0.29 0.00 2.06 0.00 0.00 58.89 60.33 1oat h TRP 275 Cb 1.23 -0.41 -0.26 0.00 -1.00 0.00 0.00 29.16 28.72 1oat h TRP 275 CO 0.39 0.71 -0.74 -0.51 -3.56 0.00 0.00 178.44 174.74 1oat s LEU 276 N -10.12 2.08 0.50 -4.49 1.43 -1.26 -0.19 118.68 106.63 1oat s LEU 276 Ca -0.13 -0.21 0.22 0.00 -1.03 0.00 0.00 54.13 52.99 1oat s LEU 276 Cb 0.19 -0.17 1.33 0.00 0.03 0.00 0.00 46.19 47.56 1oat s LEU 276 CO 0.82 -0.03 2.07 0.00 0.23 0.00 0.00 176.35 179.44 1oat h ALA 277 N 5.61 1.52 0.00 4.21 0.00 -1.81 -1.78 119.26 127.00 1oat h ALA 277 Ca -0.29 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1oat h ALA 277 Cb 1.20 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1oat h ALA 277 CO 0.48 0.15 -0.15 -0.24 0.00 0.00 0.00 179.25 179.49 1oat h VAL 278 N 0.00 0.69 -0.01 0.00 3.04 -1.94 -2.82 116.25 115.20 1oat h VAL 278 Ca -0.00 -0.60 0.00 0.00 -1.01 0.00 0.00 66.70 65.09 1oat h VAL 278 Cb 0.26 1.37 -0.00 0.00 -2.01 0.00 0.00 31.29 30.91 1oat h VAL 278 CO 0.02 0.14 0.01 0.44 -1.01 0.00 0.00 177.57 177.17 1oat h ASP 279 N 0.00 0.00 -0.30 3.17 3.32 -1.57 -2.15 116.42 118.89 1oat h ASP 279 Ca -0.00 0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.12 1oat h ASP 279 Cb 0.36 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1oat h ASP 279 CO 0.02 0.00 0.21 1.88 -1.72 0.00 0.00 179.24 179.63 1oat h TYR 280 N 0.00 0.08 -0.32 4.55 0.05 -1.68 -2.32 116.97 117.33 1oat h TYR 280 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1oat h TYR 280 Cb 0.03 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1oat h TYR 280 CO 0.00 0.04 0.00 0.39 -1.05 0.00 0.00 178.16 177.54 1oat n GLU 281 N -4.47 2.88 -3.36 4.88 1.02 -0.82 -4.99 120.64 115.79 1oat n GLU 281 Ca 0.04 -2.11 -0.24 0.00 -0.02 0.00 0.00 57.16 54.83 1oat n GLU 281 Cb 0.32 -1.32 0.06 0.00 -0.02 0.00 0.00 31.44 30.47 1oat n GLU 281 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1oat n ASN 282 N 0.36 -6.24 -4.79 1.62 3.02 -0.88 -4.85 115.26 103.50 1oat n ASN 282 Ca 0.12 -0.44 -0.36 0.00 -0.03 0.00 0.00 54.58 53.88 1oat n ASN 282 Cb 0.47 -4.97 -0.07 0.00 -0.61 0.00 0.00 39.78 34.59 1oat n ASN 282 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1oat s VAL 283 N -3.26 5.15 -0.39 2.41 1.01 -1.14 -5.03 120.40 119.14 1oat s VAL 283 Ca 0.47 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.49 1oat s VAL 283 Cb -0.21 -3.25 0.10 0.00 0.00 0.00 0.00 36.38 33.02 1oat s VAL 283 CO 0.58 0.58 0.18 -0.60 0.00 0.00 0.00 175.10 175.83 1oat s ARG 284 N -0.65 2.16 0.87 2.72 3.52 -1.26 -4.58 118.95 121.73 1oat s ARG 284 Ca 0.12 -1.68 -0.11 0.00 -0.13 0.00 0.00 55.73 53.93 1oat s ARG 284 Cb -0.12 -3.55 0.12 0.00 -1.56 0.00 0.00 34.95 29.84 1oat s ARG 284 CO 0.02 -0.98 1.09 -2.14 -0.81 0.00 0.00 175.30 172.48 1oat s PRO 285 N 1.20 1.44 0.08 5.12 0.02 -1.26 -4.97 135.00 136.63 1oat s PRO 285 Ca 0.05 0.99 0.01 0.00 0.02 0.00 0.00 61.00 62.07 1oat s PRO 285 Cb -0.22 -1.82 -0.25 0.00 0.02 0.00 0.00 34.50 32.23 1oat s PRO 285 CO -0.03 -2.16 1.14 -0.44 -0.33 0.00 0.00 177.00 175.18 1oat h ASP 286 N -1.50 0.24 -3.66 2.53 3.32 -1.11 -3.45 116.42 112.79 1oat h ASP 286 Ca -0.48 -0.27 -0.35 0.00 0.02 0.00 0.00 57.03 55.95 1oat h ASP 286 Cb 1.27 -0.08 -0.31 0.00 0.22 0.00 0.00 39.33 40.43 1oat h ASP 286 CO 0.52 1.22 -0.76 -0.63 -1.72 0.00 0.00 179.24 177.87 1oat s ILE 287 N -2.67 0.37 -0.04 0.35 1.01 -0.91 -4.37 121.20 114.93 1oat s ILE 287 Ca -0.03 -0.10 0.06 0.00 0.00 0.00 0.00 60.65 60.58 1oat s ILE 287 Cb 0.08 -0.37 -0.01 0.00 0.01 0.00 0.00 42.46 42.16 1oat s ILE 287 CO 0.85 0.15 -0.24 -0.69 0.00 0.00 0.00 174.94 175.01 1oat s VAL 288 N 0.48 1.94 -0.17 2.92 1.01 -0.55 -0.96 120.40 125.07 1oat s VAL 288 Ca -0.05 -1.02 -0.02 0.00 0.00 0.00 0.00 61.98 60.88 1oat s VAL 288 Cb -0.09 -1.63 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 1oat s VAL 288 CO -0.00 0.54 -0.08 -0.76 0.00 0.00 0.00 175.10 174.80 1oat s LEU 289 N -0.29 2.89 0.12 3.92 1.43 -0.69 -1.02 118.68 125.04 1oat s LEU 289 Ca 0.01 -0.32 0.11 0.00 -1.03 0.00 0.00 54.13 52.90 1oat s LEU 289 Cb -0.12 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 1oat s LEU 289 CO 0.02 0.09 -0.26 -0.76 0.23 0.00 0.00 176.35 175.66 1oat s LEU 290 N 0.84 2.31 0.00 1.79 1.43 -0.53 -1.44 118.68 123.08 1oat s LEU 290 Ca -0.02 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 1oat s LEU 290 Cb -0.15 -1.18 0.00 0.00 0.03 0.00 0.00 46.19 44.89 1oat s LEU 290 CO 0.01 0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.37 1oat n GLY 291 N 0.97 2.52 6.52 -3.19 0.00 -1.26 -1.11 105.19 109.63 1oat n GLY 291 Ca -0.18 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1oat n GLY 291 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1oat n LYS 292 N 0.00 0.00 0.00 1.61 5.02 -1.26 -1.77 118.16 121.76 1oat n LYS 292 Ca 0.00 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.43 1oat n LYS 292 Cb 0.00 0.00 0.85 0.00 -0.02 0.00 0.00 35.03 35.86 1oat n LYS 292 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1oat n ALA 293 N 6.13 2.57 0.25 7.82 0.00 -1.22 -3.46 120.51 132.59 1oat n ALA 293 Ca 0.00 -0.18 0.10 0.00 0.00 0.00 0.00 53.44 53.36 1oat n ALA 293 Cb 0.00 -1.47 0.48 0.00 0.00 0.00 0.00 19.45 18.46 1oat n ALA 293 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1oat n LEU 294 N -1.02 0.51 0.00 0.00 7.94 -0.73 -1.79 117.00 121.91 1oat n LEU 294 Ca 0.21 0.69 0.00 0.00 -1.11 0.00 0.00 56.01 55.80 1oat n LEU 294 Cb 0.11 -0.69 0.00 0.00 0.53 0.00 0.00 43.42 43.37 1oat n LEU 294 CO 0.17 -0.73 0.34 -1.54 -1.11 0.00 0.00 177.39 174.52 1oat n SER 295 N -2.13 1.19 -1.98 1.96 3.41 -1.23 -4.19 113.62 110.66 1oat n SER 295 Ca 0.00 -1.47 -0.20 0.00 -0.26 0.00 0.00 58.87 56.94 1oat n SER 295 Cb 0.11 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.01 1oat n SER 295 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1oat n GLY 296 N -0.24 0.72 1.81 5.00 0.00 -0.74 -2.01 105.19 109.74 1oat n GLY 296 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1oat n GLY 296 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oat n GLY 297 N -0.67 0.54 0.11 -0.02 0.00 -1.03 -4.71 105.19 99.41 1oat n GLY 297 Ca -0.22 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 45.86 1oat n GLY 297 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1oat n LEU 298 N 0.00 1.20 -3.60 0.99 4.32 -0.85 -4.98 117.00 114.07 1oat n LEU 298 Ca 0.00 -0.53 -0.09 0.00 -0.02 0.00 0.00 56.01 55.36 1oat n LEU 298 Cb 0.00 -0.01 -0.06 0.00 -1.62 0.00 0.00 43.42 41.73 1oat n LEU 298 CO 0.00 0.27 0.81 -0.47 -1.22 0.00 0.00 177.39 176.78 1oat s TYR 299 N -2.89 -0.36 -0.54 -1.77 6.14 -1.26 -5.10 117.35 111.57 1oat s TYR 299 Ca 0.10 0.71 -0.28 0.00 0.64 0.00 0.00 57.07 58.24 1oat s TYR 299 Cb 0.17 0.43 0.02 0.00 0.42 0.00 0.00 41.96 43.00 1oat s TYR 299 CO 0.80 -0.28 1.30 -2.14 0.64 0.00 0.00 175.55 175.87 1oat s PRO 300 N -0.70 3.47 -0.03 4.97 0.02 -1.26 -4.66 135.00 136.80 1oat s PRO 300 Ca 0.01 0.46 0.01 0.00 0.02 0.00 0.00 61.00 61.50 1oat s PRO 300 Cb -0.02 -4.04 0.01 0.00 0.02 0.00 0.00 34.50 30.47 1oat s PRO 300 CO -0.02 -1.73 -0.05 0.08 -0.33 0.00 0.00 177.00 174.95 1oat s VAL 301 N 5.37 0.56 0.07 3.83 1.01 -0.60 -4.55 120.40 126.08 1oat s VAL 301 Ca 0.49 -0.18 -0.02 0.00 0.00 0.00 0.00 61.98 62.27 1oat s VAL 301 Cb -0.09 -0.55 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 1oat s VAL 301 CO 0.27 0.21 0.01 -0.94 0.00 0.00 0.00 175.10 174.65 1oat s SER 302 N 0.61 0.41 -0.02 3.32 1.04 -0.71 -4.24 113.70 114.12 1oat s SER 302 Ca -0.08 -0.98 -0.07 0.00 0.48 0.00 0.00 55.95 55.30 1oat s SER 302 Cb -0.12 0.23 0.01 0.00 0.10 0.00 0.00 66.02 66.24 1oat s SER 302 CO 0.00 -0.64 0.15 0.00 0.98 0.00 0.00 173.24 173.73 1oat s ALA 303 N -3.93 -0.36 -0.22 5.32 0.00 -0.27 -1.65 121.76 120.66 1oat s ALA 303 Ca 0.09 0.04 -0.00 0.00 0.00 0.00 0.00 51.96 52.09 1oat s ALA 303 Cb 0.07 0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.22 1oat s ALA 303 CO -0.09 -0.17 -0.13 0.08 0.00 0.00 0.00 175.76 175.45 1oat s VAL 304 N -0.98 2.47 -0.15 0.00 1.01 -0.75 -1.45 120.40 120.55 1oat s VAL 304 Ca -0.11 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 60.82 1oat s VAL 304 Cb -0.06 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 1oat s VAL 304 CO 0.01 0.34 -0.05 -0.76 0.00 0.00 0.00 175.10 174.64 1oat s LEU 305 N 1.29 3.18 0.16 3.92 1.43 -0.19 -1.44 118.68 127.03 1oat s LEU 305 Ca 0.02 -0.15 -0.25 0.00 -1.03 0.00 0.00 54.13 52.72 1oat s LEU 305 Cb -0.15 -1.76 0.06 0.00 0.03 0.00 0.00 46.19 44.37 1oat s LEU 305 CO -0.08 0.17 0.90 0.00 0.23 0.00 0.00 176.35 177.57 1oat s ASP 307 N -2.90 5.32 0.33 0.00 1.01 -1.26 -1.90 116.67 117.27 1oat s ASP 307 Ca 0.11 0.86 0.10 0.00 0.71 0.00 0.00 52.55 54.33 1oat s ASP 307 Cb -0.02 -1.68 0.87 0.00 1.01 0.00 0.00 42.92 43.10 1oat s ASP 307 CO 0.02 -1.34 1.76 0.44 0.21 0.00 0.00 175.17 176.26 1oat h ASP 308 N -0.52 0.68 0.49 0.27 3.32 -1.96 -1.56 116.42 117.14 1oat h ASP 308 Ca -0.45 0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1oat h ASP 308 Cb 1.27 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1oat h ASP 308 CO 0.63 0.17 0.00 -2.24 -1.72 0.00 0.00 179.24 176.08 1oat h ASP 309 N 0.62 0.00 0.00 6.45 2.03 -1.98 -1.46 116.42 122.08 1oat h ASP 309 Ca 0.60 0.00 -0.36 0.00 -0.73 0.00 0.00 57.03 56.55 1oat h ASP 309 Cb 1.13 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.58 1oat h ASP 309 CO -0.40 0.00 -2.24 -0.38 -1.03 0.00 0.00 179.24 175.19 1oat n ILE 310 N -2.93 1.23 -0.23 4.15 5.41 -0.88 -4.65 119.36 121.46 1oat n ILE 310 Ca -0.01 -0.37 -0.03 0.00 1.00 0.00 0.00 62.75 63.35 1oat n ILE 310 Cb 0.18 -1.61 0.16 0.00 -0.71 0.00 0.00 39.64 37.66 1oat n ILE 310 CO 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 176.55 176.52 1oat h MET 311 N -0.53 1.03 -0.01 0.38 4.05 -1.29 -2.81 114.93 115.75 1oat h MET 311 Ca -0.54 -0.14 0.00 0.00 -0.28 0.00 0.00 59.70 58.74 1oat h MET 311 Cb 1.58 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 32.19 1oat h MET 311 CO -0.25 0.80 0.00 1.28 0.23 0.00 0.00 176.91 178.96 1oat n LEU 312 N -4.33 0.05 0.16 3.39 4.77 -0.55 -3.10 117.00 117.38 1oat n LEU 312 Ca 0.07 -0.02 0.13 0.00 -0.03 0.00 0.00 56.01 56.16 1oat n LEU 312 Cb 0.13 -0.01 0.39 0.00 -2.33 0.00 0.00 43.42 41.61 1oat n LEU 312 CO 0.39 0.01 0.87 0.71 -1.33 0.00 0.00 177.39 178.04 1oat h THR 313 N 0.05 0.00 -3.73 -5.08 1.35 -1.74 -3.41 112.91 100.36 1oat h THR 313 Ca 0.00 -0.59 -0.65 0.00 -0.55 0.00 0.00 66.41 64.62 1oat h THR 313 Cb 0.01 1.54 -0.17 0.00 -1.73 0.00 0.00 68.15 67.81 1oat h THR 313 CO 0.00 0.00 -0.34 -0.63 -0.25 0.00 0.00 175.52 174.30 1oat s ILE 314 N -3.23 5.21 0.54 6.82 1.01 -1.18 -4.97 121.20 125.40 1oat s ILE 314 Ca 0.07 0.15 -0.02 0.00 0.00 0.00 0.00 60.65 60.86 1oat s ILE 314 Cb 0.09 -3.73 0.02 0.00 0.01 0.00 0.00 42.46 38.85 1oat s ILE 314 CO 0.58 0.04 0.79 -0.54 0.00 0.00 0.00 174.94 175.81 1oat s LYS 315 N 1.94 2.79 0.17 2.79 3.01 -1.26 -4.99 119.74 124.20 1oat s LYS 315 Ca 0.11 -0.42 -0.33 0.00 -1.01 0.00 0.00 55.97 54.31 1oat s LYS 315 Cb -0.16 -2.43 -0.14 0.00 -1.01 0.00 0.00 37.83 34.08 1oat s LYS 315 CO 0.11 -0.60 1.43 -2.30 0.51 0.00 0.00 175.35 174.50 1oat n PRO 316 N -2.36 1.83 -0.39 -1.68 -0.02 -1.26 -1.96 135.00 129.16 1oat n PRO 316 Ca 0.05 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1oat n PRO 316 Cb 0.58 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1oat n PRO 316 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1oat n GLY 317 N 2.69 1.34 0.02 -1.23 0.00 -1.26 -4.91 105.19 101.83 1oat n GLY 317 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 1oat n GLY 317 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1oat n GLU 318 N -2.00 0.11 -3.50 1.61 1.02 -0.83 -4.95 120.64 112.09 1oat n GLU 318 Ca 0.00 0.01 -0.16 0.00 -0.02 0.00 0.00 57.16 56.99 1oat n GLU 318 Cb 0.00 -1.55 -0.05 0.00 -0.02 0.00 0.00 31.44 29.82 1oat n GLU 318 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1oat s HIS 319 N -3.07 -0.62 -0.52 -0.32 5.04 -1.26 -5.01 115.29 109.54 1oat s HIS 319 Ca 0.08 0.93 0.00 0.00 -1.54 0.00 0.00 55.06 54.53 1oat s HIS 319 Cb 0.16 0.44 0.00 0.00 0.04 0.00 0.00 32.58 33.22 1oat s HIS 319 CO 0.74 -0.64 0.00 0.41 -2.34 0.00 0.00 174.74 172.91 1oat n GLY 320 N 0.62 -1.26 3.62 1.59 0.00 -1.26 -5.06 105.19 103.44 1oat n GLY 320 Ca -0.18 -0.91 -0.09 0.00 0.00 0.00 0.00 46.02 44.83 1oat n GLY 320 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1oat s SER 321 N -2.64 -0.41 0.04 1.61 0.15 -1.26 -5.05 113.70 106.14 1oat s SER 321 Ca 0.00 0.69 -0.28 0.00 0.70 0.00 0.00 55.95 57.06 1oat s SER 321 Cb 0.00 0.67 -0.17 0.00 -1.71 0.00 0.00 66.02 64.81 1oat s SER 321 CO 0.00 -0.21 1.43 0.74 1.20 0.00 0.00 173.24 176.40 1oat h THR 322 N 3.25 0.52 -0.00 6.45 2.02 -2.02 -3.21 112.91 119.91 1oat h THR 322 Ca -0.25 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.66 1oat h THR 322 Cb 1.17 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1oat h THR 322 CO 0.18 0.05 -0.10 -1.22 0.37 0.00 0.00 175.52 174.79 1oat n TYR 323 N -5.29 0.00 -2.00 3.16 4.02 -1.26 -4.59 117.16 111.20 1oat n TYR 323 Ca -0.11 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.36 1oat n TYR 323 Cb 0.29 -0.14 -0.03 0.00 -0.02 0.00 0.00 39.34 39.45 1oat n TYR 323 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1oat s GLY 324 N -2.38 1.58 0.00 2.72 0.00 -1.21 -2.69 107.32 105.33 1oat s GLY 324 Ca 0.31 1.02 0.00 0.00 0.00 0.00 0.00 44.72 46.05 1oat s GLY 324 CO 0.45 2.95 0.00 0.61 0.00 0.00 0.00 173.10 177.11 1oat n GLY 325 N 4.05 0.54 3.75 0.20 0.00 -1.26 -4.81 105.19 107.65 1oat n GLY 325 Ca 0.16 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 1oat n GLY 325 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oat s ASN 326 N -2.54 4.96 0.27 1.61 2.20 -1.10 -4.71 114.94 115.64 1oat s ASN 326 Ca 0.00 2.28 -0.01 0.00 -0.94 0.00 0.00 52.86 54.19 1oat s ASN 326 Cb 0.00 -2.58 0.49 0.00 -2.00 0.00 0.00 41.25 37.16 1oat s ASN 326 CO 0.00 -1.74 1.82 -0.65 -2.94 0.00 0.00 177.10 173.59 1oat h PRO 327 N 0.43 0.84 -0.22 3.55 0.11 -1.86 -2.51 132.00 132.34 1oat h PRO 327 Ca -0.49 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.53 1oat h PRO 327 Cb 1.28 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1oat h PRO 327 CO 0.54 0.56 -0.03 1.25 -0.21 0.00 0.00 178.00 180.11 1oat h LEU 328 N 0.87 0.41 -0.84 2.35 5.85 -1.73 -2.59 115.31 119.62 1oat h LEU 328 Ca 0.46 -0.34 -0.12 0.00 0.84 0.00 0.00 57.88 58.72 1oat h LEU 328 Cb 0.47 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1oat h LEU 328 CO -0.27 0.65 -0.46 1.23 -0.34 0.00 0.00 178.44 179.25 1oat h GLY 329 N 0.16 0.29 1.03 3.75 0.00 -1.85 -2.98 103.07 103.47 1oat h GLY 329 Ca 0.06 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.04 1oat h GLY 329 CO 0.02 0.27 0.25 0.00 0.00 0.00 0.00 176.54 177.08 1oat h ARG 331 N 1.02 0.67 0.00 0.00 2.47 -1.37 -2.04 114.38 115.12 1oat h ARG 331 Ca 0.23 -0.10 -0.10 0.00 -1.26 0.00 0.00 59.98 58.75 1oat h ARG 331 Cb 0.26 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 1oat h ARG 331 CO -0.01 0.57 -0.48 -0.39 0.56 0.00 0.00 179.97 180.22 1oat h VAL 332 N 0.61 1.20 -0.22 2.04 -1.51 -1.42 -2.77 116.25 114.17 1oat h VAL 332 Ca 0.16 -1.72 -0.19 0.00 -1.23 0.00 0.00 66.70 63.72 1oat h VAL 332 Cb 0.12 1.97 0.00 0.00 -2.13 0.00 0.00 31.29 31.25 1oat h VAL 332 CO -0.02 0.47 -0.61 0.00 -1.23 0.00 0.00 177.57 176.18 1oat h ALA 333 N 1.52 0.50 0.17 5.19 0.00 -1.06 0.14 119.26 125.74 1oat h ALA 333 Ca -0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 1oat h ALA 333 Cb 0.93 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1oat h ALA 333 CO 0.06 0.69 -0.08 0.82 0.00 0.00 0.00 179.25 180.74 1oat h ILE 334 N 0.56 0.87 -0.67 0.00 2.04 -1.34 -0.03 117.51 118.95 1oat h ILE 334 Ca -0.00 -0.20 0.01 0.00 1.00 0.00 0.00 64.86 65.67 1oat h ILE 334 Cb 1.20 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 38.25 1oat h ILE 334 CO 0.13 0.05 0.44 0.00 0.00 0.00 0.00 178.15 178.76 1oat h ALA 335 N 0.48 0.85 -0.38 1.87 0.00 -1.45 -0.48 119.26 120.15 1oat h ALA 335 Ca -0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1oat h ALA 335 Cb 0.26 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1oat h ALA 335 CO 0.04 0.26 0.06 0.00 0.00 0.00 0.00 179.25 179.60 1oat h ALA 336 N 1.25 1.40 -0.13 0.00 0.00 -0.37 -1.34 119.26 120.06 1oat h ALA 336 Ca 0.25 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1oat h ALA 336 Cb -0.09 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1oat h ALA 336 CO -0.06 0.43 -0.42 -0.07 0.00 0.00 0.00 179.25 179.13 1oat h LEU 337 N 0.55 0.59 -1.09 0.00 3.38 -0.56 -3.22 115.31 114.96 1oat h LEU 337 Ca 0.12 -0.61 0.02 0.00 0.09 0.00 0.00 57.88 57.51 1oat h LEU 337 Cb 0.27 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 1oat h LEU 337 CO 0.00 1.10 0.62 -0.33 0.09 0.00 0.00 178.44 179.92 1oat h GLU 338 N 0.12 1.18 -0.83 1.13 5.08 -0.75 -2.46 114.58 118.06 1oat h GLU 338 Ca -0.02 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1oat h GLU 338 Cb 1.05 -0.27 -0.04 0.00 0.50 0.00 0.00 28.75 29.99 1oat h GLU 338 CO 0.09 0.78 0.53 0.28 -1.00 0.00 0.00 179.01 179.69 1oat h VAL 339 N 1.22 1.22 -0.40 3.13 2.07 -1.29 -0.44 116.25 121.75 1oat h VAL 339 Ca 0.36 -0.42 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 1oat h VAL 339 Cb -0.06 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.71 1oat h VAL 339 CO -0.09 0.22 -0.03 -0.07 0.02 0.00 0.00 177.57 177.61 1oat h LEU 340 N 1.12 0.62 0.07 2.57 3.38 -1.46 -2.14 115.31 119.47 1oat h LEU 340 Ca 0.30 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1oat h LEU 340 Cb -0.10 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.48 1oat h LEU 340 CO -0.06 0.71 -0.03 -0.08 0.09 0.00 0.00 178.44 179.06 1oat h GLU 341 N 0.61 -0.09 -1.18 1.13 4.81 -1.12 -3.05 114.58 115.69 1oat h GLU 341 Ca 0.12 0.01 0.34 0.00 -0.13 0.00 0.00 59.36 59.69 1oat h GLU 341 Cb 0.42 0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.74 1oat h GLU 341 CO 0.02 -0.06 0.79 0.93 -0.73 0.00 0.00 179.01 179.96 1oat h GLU 342 N -0.23 0.19 -0.62 1.92 5.08 -1.19 -0.12 114.58 119.61 1oat h GLU 342 Ca -0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1oat h GLU 342 Cb 0.07 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1oat h GLU 342 CO 0.01 0.13 0.00 0.39 -1.00 0.00 0.00 179.01 178.54 1oat n GLU 343 N -4.48 2.45 -4.26 2.33 1.02 -0.80 -4.96 120.64 111.94 1oat n GLU 343 Ca 0.29 -2.25 -0.31 0.00 -0.02 0.00 0.00 57.16 54.86 1oat n GLU 343 Cb 1.14 -1.49 -0.08 0.00 -0.02 0.00 0.00 31.44 30.99 1oat n GLU 343 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1oat n ASN 344 N 1.34 0.45 0.19 1.62 3.02 -0.06 -4.83 115.26 116.99 1oat n ASN 344 Ca 0.21 -1.22 0.05 0.00 -0.03 0.00 0.00 54.58 53.59 1oat n ASN 344 Cb 0.53 -1.90 0.39 0.00 -0.61 0.00 0.00 39.78 38.18 1oat n ASN 344 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1oat h LEU 345 N -1.74 0.00 0.02 3.41 3.38 -1.79 -2.61 115.31 115.99 1oat h LEU 345 Ca -0.65 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.32 1oat h LEU 345 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1oat h LEU 345 CO 0.71 0.36 -0.01 0.00 0.09 0.00 0.00 178.44 179.59 1oat h ALA 346 N 1.64 -0.02 -0.87 1.53 0.00 -1.79 0.12 119.26 119.86 1oat h ALA 346 Ca -0.00 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1oat h ALA 346 Cb 0.74 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1oat h ALA 346 CO 0.05 -0.43 0.58 1.49 0.00 0.00 0.00 179.25 180.94 1oat h GLU 347 N -0.20 1.14 -0.38 0.00 4.81 -1.74 0.66 114.58 118.87 1oat h GLU 347 Ca -0.00 -0.07 -0.15 0.00 -0.13 0.00 0.00 59.36 59.01 1oat h GLU 347 Cb 0.19 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1oat h GLU 347 CO 0.00 0.75 -0.36 -0.97 -0.73 0.00 0.00 179.01 177.70 1oat h ASN 348 N 1.17 0.98 -0.53 1.04 -0.00 -1.29 -1.57 115.58 115.39 1oat h ASN 348 Ca 0.32 -0.46 -0.07 0.00 -0.00 0.00 0.00 56.30 56.09 1oat h ASN 348 Cb -0.11 -0.27 -0.02 0.00 -0.00 0.00 0.00 38.32 37.91 1oat h ASN 348 CO -0.07 1.24 0.06 0.00 -0.00 0.00 0.00 177.43 178.65 1oat h ALA 349 N 0.77 1.02 0.45 1.57 0.00 -0.16 -0.42 119.26 122.49 1oat h ALA 349 Ca 0.06 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1oat h ALA 349 Cb 0.96 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1oat h ALA 349 CO 0.09 0.62 -0.22 0.22 0.00 0.00 0.00 179.25 179.96 1oat h ASP 350 N 0.88 -0.51 -0.16 0.00 3.58 -0.78 -1.09 116.42 118.35 1oat h ASP 350 Ca 0.17 -0.10 0.01 0.00 0.42 0.00 0.00 57.03 57.54 1oat h ASP 350 Cb 0.44 0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.60 1oat h ASP 350 CO 0.02 -0.15 0.06 0.11 -2.88 0.00 0.00 179.24 176.39 1oat h LYS 351 N -0.92 0.13 0.00 0.28 1.57 -1.28 -2.70 116.57 113.65 1oat h LYS 351 Ca -0.06 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.63 1oat h LYS 351 Cb 0.57 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1oat h LYS 351 CO 0.10 0.09 -0.37 -0.07 -0.57 0.00 0.00 179.45 178.63 1oat h LEU 352 N 0.13 0.00 -1.00 2.94 3.38 -1.15 -2.90 115.31 116.72 1oat h LEU 352 Ca 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1oat h LEU 352 Cb 0.03 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1oat h LEU 352 CO -0.06 0.37 0.32 1.23 0.09 0.00 0.00 178.44 180.39 1oat h GLY 353 N 1.19 1.11 0.97 0.83 0.00 -0.86 -2.06 103.07 104.25 1oat h GLY 353 Ca -0.00 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 1oat h GLY 353 CO 0.05 0.53 0.06 -2.22 0.00 0.00 0.00 176.54 174.96 1oat h ILE 354 N 1.03 1.05 -0.20 2.60 1.08 -1.38 -1.34 117.51 120.35 1oat h ILE 354 Ca 0.25 -0.12 0.01 0.00 -0.39 0.00 0.00 64.86 64.60 1oat h ILE 354 Cb 0.14 0.94 -0.01 0.00 -3.07 0.00 0.00 36.82 34.82 1oat h ILE 354 CO -0.03 0.05 0.11 0.40 -0.69 0.00 0.00 178.15 177.98 1oat h ILE 355 N 0.12 1.01 0.35 -0.67 2.04 -1.53 0.45 117.51 119.28 1oat h ILE 355 Ca 0.04 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1oat h ILE 355 Cb 0.02 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1oat h ILE 355 CO -0.01 0.04 -0.37 0.25 0.00 0.00 0.00 178.15 178.07 1oat h LEU 356 N 0.22 -1.00 -0.66 1.44 6.46 -1.23 -1.11 115.31 119.44 1oat h LEU 356 Ca 0.08 0.09 0.06 0.00 -0.12 0.00 0.00 57.88 57.98 1oat h LEU 356 Cb 0.01 0.34 -0.05 0.00 -0.73 0.00 0.00 40.66 40.22 1oat h LEU 356 CO -0.05 -0.51 0.36 0.03 -0.62 0.00 0.00 178.44 177.66 1oat h ARG 357 N -0.75 0.65 -0.54 1.25 3.08 -1.15 -0.44 114.38 116.48 1oat h ARG 357 Ca -0.02 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.01 1oat h ARG 357 Cb 0.68 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.55 1oat h ARG 357 CO -0.07 0.43 0.32 -0.91 -1.07 0.00 0.00 179.97 178.67 1oat h ASN 358 N 0.67 0.52 -0.17 7.04 2.35 -0.58 -1.30 115.58 124.12 1oat h ASN 358 Ca 0.29 0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 55.92 1oat h ASN 358 Cb 0.19 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 1oat h ASN 358 CO -0.18 0.37 -0.36 -0.33 -1.65 0.00 0.00 177.43 175.28 1oat h GLU 359 N 0.64 0.68 0.00 0.81 4.39 -0.83 -2.77 114.58 117.51 1oat h GLU 359 Ca 0.22 -0.33 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 1oat h GLU 359 Cb 0.03 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1oat h GLU 359 CO -0.10 0.93 -0.05 -0.07 -1.16 0.00 0.00 179.01 178.57 1oat h LEU 360 N 0.57 0.00 -0.03 1.33 3.38 -0.79 -2.79 115.31 116.98 1oat h LEU 360 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1oat h LEU 360 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1oat h LEU 360 CO 0.08 0.05 0.00 0.23 0.09 0.00 0.00 178.44 178.88 1oat n MET 361 N -3.15 0.27 0.08 1.13 2.81 -0.52 -2.76 117.12 114.99 1oat n MET 361 Ca 0.01 0.23 0.13 0.00 -1.81 0.00 0.00 57.70 56.26 1oat n MET 361 Cb 0.38 -1.82 0.46 0.00 -0.71 0.00 0.00 33.22 31.52 1oat n MET 361 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1oat n LYS 362 N -2.30 0.18 -1.63 0.03 5.02 -1.05 -4.88 118.16 113.53 1oat n LYS 362 Ca 0.05 0.20 -0.39 0.00 -2.02 0.00 0.00 58.31 56.16 1oat n LYS 362 Cb 0.43 -1.73 0.04 0.00 -0.02 0.00 0.00 35.03 33.74 1oat n LYS 362 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1oat n LEU 363 N -2.05 3.57 -4.66 -0.35 4.77 -1.11 -4.92 117.00 112.24 1oat n LEU 363 Ca 0.05 0.90 -0.35 0.00 -0.03 0.00 0.00 56.01 56.58 1oat n LEU 363 Cb 0.36 -1.40 0.10 0.00 -2.33 0.00 0.00 43.42 40.16 1oat n LEU 363 CO 0.27 -1.58 0.69 -0.81 -1.33 0.00 0.00 177.39 174.63 1oat n PRO 364 N -0.63 0.44 -0.31 3.23 -0.04 -1.26 -4.91 135.00 131.52 1oat n PRO 364 Ca 0.12 0.22 0.06 0.00 -0.04 0.00 0.00 63.50 63.85 1oat n PRO 364 Cb 0.44 -2.37 0.20 0.00 -0.04 0.00 0.00 33.50 31.74 1oat n PRO 364 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1oat n SER 365 N -2.45 2.71 -0.00 3.54 7.64 -1.26 -2.90 113.62 120.89 1oat n SER 365 Ca 0.14 -2.17 0.05 0.00 1.01 0.00 0.00 58.87 57.90 1oat n SER 365 Cb 0.50 -0.38 -0.07 0.00 -1.01 0.00 0.00 64.21 63.24 1oat n SER 365 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1oat n ASP 366 N 0.61 2.57 -0.13 6.43 5.68 -1.26 -4.67 116.55 125.78 1oat n ASP 366 Ca 0.15 -0.06 -0.24 0.00 -0.50 0.00 0.00 54.79 54.14 1oat n ASP 366 Cb 0.49 1.41 -0.10 0.00 -1.14 0.00 0.00 41.12 41.78 1oat n ASP 366 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1oat n VAL 367 N -1.79 1.41 -4.65 2.12 0.31 -1.25 -4.81 118.33 109.67 1oat n VAL 367 Ca -0.01 -0.43 -0.33 0.00 -0.01 0.00 0.00 64.34 63.56 1oat n VAL 367 Cb 0.24 -1.66 -0.13 0.00 -0.91 0.00 0.00 33.84 31.38 1oat n VAL 367 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1oat s VAL 368 N -2.48 3.40 -0.24 2.52 1.01 -1.14 -2.39 120.40 121.08 1oat s VAL 368 Ca -0.35 -0.55 -0.16 0.00 0.00 0.00 0.00 61.98 60.92 1oat s VAL 368 Cb 0.12 -2.44 -0.16 0.00 0.00 0.00 0.00 36.38 33.89 1oat s VAL 368 CO 0.50 0.53 -0.05 0.41 0.00 0.00 0.00 175.10 176.49 1oat n THR 369 N 3.31 1.54 -4.19 3.92 -1.04 -0.07 -4.34 114.28 113.42 1oat n THR 369 Ca -0.18 -0.24 -0.11 0.00 -2.04 0.00 0.00 64.05 61.48 1oat n THR 369 Cb 0.53 -1.93 -0.10 0.00 -1.82 0.00 0.00 70.33 67.01 1oat n THR 369 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1oat s ALA 370 N -2.44 1.09 -0.07 2.41 0.00 -1.25 -4.97 121.76 116.53 1oat s ALA 370 Ca -0.33 -1.39 -0.03 0.00 0.00 0.00 0.00 51.96 50.21 1oat s ALA 370 Cb 0.10 0.16 0.04 0.00 0.00 0.00 0.00 23.12 23.42 1oat s ALA 370 CO 0.56 -0.21 0.14 0.08 0.00 0.00 0.00 175.76 176.33 1oat s VAL 371 N -3.57 -0.11 0.12 0.00 1.01 -1.26 -1.81 120.40 114.78 1oat s VAL 371 Ca 0.13 0.23 -0.14 0.00 0.00 0.00 0.00 61.98 62.21 1oat s VAL 371 Cb 0.05 -0.25 0.03 0.00 0.00 0.00 0.00 36.38 36.21 1oat s VAL 371 CO -0.03 0.10 0.34 0.00 0.00 0.00 0.00 175.10 175.51 1oat s ARG 372 N 1.49 1.01 0.00 2.72 1.70 -0.73 -5.02 118.95 120.12 1oat s ARG 372 Ca -0.06 -0.77 0.00 0.00 -0.47 0.00 0.00 55.73 54.43 1oat s ARG 372 Cb -0.12 0.44 0.00 0.00 -0.57 0.00 0.00 34.95 34.70 1oat s ARG 372 CO -0.06 -0.38 0.00 0.41 -1.08 0.00 0.00 175.30 174.20 1oat n GLY 373 N -0.18 -0.59 3.18 3.88 0.00 -1.26 -1.38 105.19 108.84 1oat n GLY 373 Ca -0.16 -1.60 -0.13 0.00 0.00 0.00 0.00 46.02 44.13 1oat n GLY 373 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oat s LYS 374 N -1.75 0.40 4.43 1.61 1.02 -0.78 -5.00 119.74 119.66 1oat s LYS 374 Ca 0.00 0.24 0.00 0.00 0.02 0.00 0.00 55.97 56.23 1oat s LYS 374 Cb 0.00 0.19 0.00 0.00 -0.52 0.00 0.00 37.83 37.50 1oat s LYS 374 CO 0.00 -0.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.77 1oat n GLY 375 N 2.54 3.15 2.03 -3.33 0.00 -0.98 -1.22 105.19 107.38 1oat n GLY 375 Ca -0.15 -0.04 -0.18 0.00 0.00 0.00 0.00 46.02 45.65 1oat n GLY 375 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1oat n LEU 376 N 0.00 6.25 -4.07 0.99 4.32 0.66 -4.00 117.00 121.14 1oat n LEU 376 Ca 0.00 -3.58 -0.34 0.00 -0.02 0.00 0.00 56.01 52.08 1oat n LEU 376 Cb 0.00 -0.79 -0.13 0.00 -1.62 0.00 0.00 43.42 40.87 1oat n LEU 376 CO 0.00 1.05 -0.26 -0.22 -1.22 0.00 0.00 177.39 176.74 1oat s LEU 377 N -3.25 4.97 0.25 2.23 2.96 -0.36 -4.33 118.68 121.16 1oat s LEU 377 Ca 0.55 -2.08 0.01 0.00 -0.22 0.00 0.00 54.13 52.39 1oat s LEU 377 Cb 0.46 -1.72 -0.05 0.00 0.50 0.00 0.00 46.19 45.38 1oat s LEU 377 CO 0.10 -0.45 0.11 0.20 -1.32 0.00 0.00 176.35 174.98 1oat s ASN 378 N 1.35 0.99 -0.01 3.68 0.01 -0.94 -1.87 114.94 118.15 1oat s ASN 378 Ca 0.09 -1.40 -0.28 0.00 -0.71 0.00 0.00 52.86 50.57 1oat s ASN 378 Cb -0.21 0.22 0.06 0.00 0.41 0.00 0.00 41.25 41.74 1oat s ASN 378 CO -0.06 -0.76 0.63 0.00 -1.51 0.00 0.00 177.10 175.39 1oat s ALA 379 N -3.83 -1.63 0.12 0.60 0.00 -0.48 -0.56 121.76 115.98 1oat s ALA 379 Ca 0.38 1.07 0.09 0.00 0.00 0.00 0.00 51.96 53.50 1oat s ALA 379 Cb 0.07 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 1oat s ALA 379 CO 0.14 -0.42 -0.22 0.96 0.00 0.00 0.00 175.76 176.21 1oat s ILE 380 N -1.63 1.86 -0.22 0.00 -4.36 -0.13 -1.77 121.20 114.95 1oat s ILE 380 Ca -0.09 -1.66 -0.05 0.00 -0.26 0.00 0.00 60.65 58.59 1oat s ILE 380 Cb -0.01 -1.71 -0.02 0.00 1.25 0.00 0.00 42.46 41.98 1oat s ILE 380 CO 0.06 -0.07 -0.00 -0.69 0.24 0.00 0.00 174.94 174.47 1oat s VAL 381 N -1.29 3.76 -0.02 8.37 1.01 -0.75 -1.29 120.40 130.19 1oat s VAL 381 Ca 0.10 -0.37 -0.16 0.00 0.00 0.00 0.00 61.98 61.55 1oat s VAL 381 Cb -0.09 -2.72 -0.06 0.00 0.00 0.00 0.00 36.38 33.51 1oat s VAL 381 CO 0.05 0.40 0.45 -0.63 0.00 0.00 0.00 175.10 175.38 1oat s ILE 382 N 1.36 5.01 -0.75 2.22 -1.09 0.33 -0.89 121.20 127.39 1oat s ILE 382 Ca 0.04 0.93 -0.26 0.00 -2.23 0.00 0.00 60.65 59.14 1oat s ILE 382 Cb -0.15 -3.77 0.04 0.00 -1.58 0.00 0.00 42.46 37.00 1oat s ILE 382 CO 0.00 0.51 1.26 -0.75 -1.23 0.00 0.00 174.94 174.73 1oat s LYS 383 N -0.66 3.21 -0.39 2.79 2.20 -1.01 -4.66 119.74 121.22 1oat s LYS 383 Ca 0.25 -0.37 -0.28 0.00 -0.36 0.00 0.00 55.97 55.21 1oat s LYS 383 Cb -0.17 -4.27 -0.02 0.00 -1.51 0.00 0.00 37.83 31.86 1oat s LYS 383 CO 0.14 -2.12 1.77 -2.00 -0.36 0.00 0.00 175.35 172.78 1oat s GLU 384 N 5.49 3.22 0.47 4.03 2.12 -1.26 -4.84 118.70 127.93 1oat s GLU 384 Ca 0.34 1.23 0.06 0.00 0.36 0.00 0.00 54.97 56.97 1oat s GLU 384 Cb -0.08 -4.22 -0.01 0.00 0.26 0.00 0.00 34.13 30.08 1oat s GLU 384 CO 0.13 -2.00 0.31 0.95 -0.54 0.00 0.00 175.26 174.11 1oat s THR 385 N 7.18 2.10 -0.60 -1.70 -4.23 -0.92 -4.99 115.64 112.48 1oat s THR 385 Ca 0.76 -1.54 0.00 0.00 -1.18 0.00 0.00 61.69 59.73 1oat s THR 385 Cb -0.20 -2.64 0.00 0.00 1.34 0.00 0.00 72.50 71.00 1oat s THR 385 CO 0.31 0.00 0.41 0.29 -0.54 0.00 0.00 174.62 175.09 1oat n LYS 386 N -1.52 0.59 0.00 3.99 5.02 -1.26 -2.63 118.16 122.35 1oat n LYS 386 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1oat n LYS 386 Cb 0.64 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 34.39 1oat n LYS 386 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1oat n ASP 387 N 0.40 0.00 -3.98 4.39 2.03 -1.26 -5.10 116.55 113.04 1oat n ASP 387 Ca 0.00 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.21 1oat n ASP 387 Cb 0.21 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.54 1oat n ASP 387 CO 0.00 0.00 0.00 -1.66 -1.92 0.00 0.00 177.20 173.62 1oat s TRP 388 N -1.00 0.43 0.36 -0.67 1.48 -1.08 -5.13 118.94 113.33 1oat s TRP 388 Ca 0.00 -0.78 -0.16 0.00 -1.06 0.00 0.00 56.10 54.10 1oat s TRP 388 Cb 0.00 -0.01 0.06 0.00 -1.16 0.00 0.00 33.47 32.36 1oat s TRP 388 CO 0.00 -0.80 0.83 -0.40 -4.06 0.00 0.00 176.95 172.52 1oat n ASP 389 N -0.27 -2.20 0.10 -2.66 5.68 -1.26 -2.15 116.55 113.78 1oat n ASP 389 Ca -0.05 -2.47 0.03 0.00 -0.50 0.00 0.00 54.79 51.80 1oat n ASP 389 Cb 0.63 3.65 0.42 0.00 -1.14 0.00 0.00 41.12 44.68 1oat n ASP 389 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1oat h ALA 390 N 2.00 1.60 -0.45 2.12 0.00 -1.90 -1.33 119.26 121.29 1oat h ALA 390 Ca -0.32 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.31 1oat h ALA 390 Cb 1.22 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1oat h ALA 390 CO 0.41 0.30 -0.26 2.35 0.00 0.00 0.00 179.25 182.05 1oat h TRP 391 N 0.30 1.13 -0.33 0.00 2.91 -1.97 -1.80 115.95 116.19 1oat h TRP 391 Ca 0.07 -0.29 -0.14 0.00 1.13 0.00 0.00 58.89 59.66 1oat h TRP 391 Cb 0.22 -0.26 -0.01 0.00 -0.51 0.00 0.00 29.16 28.61 1oat h TRP 391 CO 0.00 1.12 -0.34 0.87 -1.03 0.00 0.00 178.44 179.06 1oat h LYS 392 N 0.83 0.75 -0.53 2.65 1.57 -1.87 -1.83 116.57 118.14 1oat h LYS 392 Ca 0.10 -0.36 -0.06 0.00 -1.87 0.00 0.00 60.65 58.45 1oat h LYS 392 Cb 0.85 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.13 1oat h LYS 392 CO 0.07 0.98 0.07 0.28 -0.57 0.00 0.00 179.45 180.29 1oat h VAL 393 N 0.63 1.24 -0.18 0.50 2.07 -1.15 -2.37 116.25 116.98 1oat h VAL 393 Ca 0.06 -0.93 -0.16 0.00 0.82 0.00 0.00 66.70 66.49 1oat h VAL 393 Cb 0.88 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1oat h VAL 393 CO 0.08 0.34 -0.56 0.00 0.02 0.00 0.00 177.57 177.45 1oat h LEU 395 N 0.43 0.55 -0.90 0.00 3.38 -1.18 -0.67 115.31 116.91 1oat h LEU 395 Ca 0.01 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.67 1oat h LEU 395 Cb 1.11 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1oat h LEU 395 CO 0.11 0.60 -0.50 -0.09 0.09 0.00 0.00 178.44 178.64 1oat h ARG 396 N 0.48 0.10 -0.27 1.13 2.43 -1.36 -0.64 114.38 116.25 1oat h ARG 396 Ca 0.13 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.15 1oat h ARG 396 Cb 0.24 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1oat h ARG 396 CO -0.01 0.59 -0.20 1.25 -1.51 0.00 0.00 179.97 180.10 1oat h LEU 397 N 0.08 0.49 -0.15 3.80 5.85 -0.93 -0.07 115.31 124.39 1oat h LEU 397 Ca 0.00 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.51 1oat h LEU 397 Cb 0.92 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.82 1oat h LEU 397 CO 0.07 0.70 -0.13 -0.09 -0.34 0.00 0.00 178.44 178.64 1oat h ARG 398 N 0.45 0.35 -0.48 1.25 2.43 -0.45 0.84 114.38 118.77 1oat h ARG 398 Ca 0.07 -0.18 0.06 0.00 -0.81 0.00 0.00 59.98 59.12 1oat h ARG 398 Cb 0.59 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.12 1oat h ARG 398 CO 0.04 0.73 0.33 -0.44 -1.51 0.00 0.00 179.97 179.11 1oat h ASP 399 N -0.01 0.35 -0.34 -3.80 3.32 -0.66 -1.73 116.42 113.56 1oat h ASP 399 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1oat h ASP 399 Cb 0.65 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1oat h ASP 399 CO 0.03 0.23 0.00 0.59 -1.72 0.00 0.00 179.24 178.37 1oat n ASN 400 N -4.47 2.07 0.00 6.45 5.03 -0.08 -4.93 115.26 119.32 1oat n ASN 400 Ca 0.07 -2.06 0.00 0.00 0.87 0.00 0.00 54.58 53.46 1oat n ASN 400 Cb 0.26 -0.28 0.00 0.00 -1.02 0.00 0.00 39.78 38.74 1oat n ASN 400 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1oat n GLY 401 N 0.96 0.76 2.87 7.41 0.00 -0.65 -4.97 105.19 111.58 1oat n GLY 401 Ca 0.12 -0.35 -0.17 0.00 0.00 0.00 0.00 46.02 45.62 1oat n GLY 401 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1oat s LEU 402 N 0.00 1.47 -0.21 0.99 0.20 0.26 -1.00 118.68 120.39 1oat s LEU 402 Ca 0.00 -0.06 -0.08 0.00 0.69 0.00 0.00 54.13 54.68 1oat s LEU 402 Cb 0.00 -0.25 -0.04 0.00 -0.43 0.00 0.00 46.19 45.47 1oat s LEU 402 CO 0.00 -0.04 0.09 -0.76 -0.29 0.00 0.00 176.35 175.34 1oat s LEU 403 N 0.64 3.81 0.06 -0.68 1.43 0.20 -2.64 118.68 121.50 1oat s LEU 403 Ca -0.07 0.03 -0.22 0.00 -1.03 0.00 0.00 54.13 52.85 1oat s LEU 403 Cb -0.10 -1.99 0.05 0.00 0.03 0.00 0.00 46.19 44.18 1oat s LEU 403 CO -0.01 0.11 0.52 0.00 0.23 0.00 0.00 176.35 177.21 1oat s ALA 404 N 0.76 -1.34 0.02 4.21 0.00 -1.26 -0.40 121.76 123.75 1oat s ALA 404 Ca 0.04 0.55 0.05 0.00 0.00 0.00 0.00 51.96 52.60 1oat s ALA 404 Cb -0.13 0.45 -0.02 0.00 0.00 0.00 0.00 23.12 23.42 1oat s ALA 404 CO 0.02 -0.54 -0.14 0.15 0.00 0.00 0.00 175.76 175.25 1oat s LYS 405 N -2.67 1.04 0.65 0.00 -0.14 -1.26 -4.84 119.74 112.52 1oat s LYS 405 Ca -0.04 -0.65 -0.11 0.00 -1.36 0.00 0.00 55.97 53.80 1oat s LYS 405 Cb -0.00 -1.03 -0.02 0.00 -1.68 0.00 0.00 37.83 35.09 1oat s LYS 405 CO -0.03 0.27 1.05 -2.14 -0.76 0.00 0.00 175.35 173.73 1oat s PRO 406 N -0.78 3.26 -0.03 -1.68 0.02 -1.26 -3.77 135.00 130.76 1oat s PRO 406 Ca 0.04 0.89 0.09 0.00 0.02 0.00 0.00 61.00 62.03 1oat s PRO 406 Cb -0.07 -2.03 -0.14 0.00 0.02 0.00 0.00 34.50 32.28 1oat s PRO 406 CO 0.00 -0.85 0.17 -2.37 -0.33 0.00 0.00 177.00 173.63 1oat n THR 407 N -2.87 0.12 -1.80 0.99 5.66 0.07 -4.83 114.28 111.63 1oat n THR 407 Ca 0.07 -0.25 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 1oat n THR 407 Cb 0.54 0.07 0.00 0.00 -1.55 0.00 0.00 70.33 69.38 1oat n THR 407 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 1oat n HIS 408 N -1.93 0.00 0.00 1.09 8.25 -1.25 -4.98 115.22 116.39 1oat n HIS 408 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1oat n HIS 408 Cb 0.36 0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.50 1oat n HIS 408 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1oat n GLY 409 N 0.00 2.89 0.00 -1.41 0.00 -1.26 -4.64 105.19 100.77 1oat n GLY 409 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1oat n GLY 409 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1oat n ASP 410 N 0.00 0.13 -4.03 1.61 5.75 -1.26 -3.01 116.55 115.74 1oat n ASP 410 Ca 0.00 -1.06 -0.26 0.00 -0.01 0.00 0.00 54.79 53.46 1oat n ASP 410 Cb 0.00 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 39.92 1oat n ASP 410 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1oat s ILE 411 N -0.06 1.28 -0.12 2.12 1.01 -1.26 0.12 121.20 124.29 1oat s ILE 411 Ca 0.00 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.13 1oat s ILE 411 Cb 0.00 -1.18 -0.00 0.00 0.01 0.00 0.00 42.46 41.29 1oat s ILE 411 CO 0.00 0.39 -0.19 -0.63 0.00 0.00 0.00 174.94 174.51 1oat s ILE 412 N 0.84 2.46 -0.15 2.92 1.01 -0.41 -0.75 121.20 127.12 1oat s ILE 412 Ca -0.11 -0.86 -0.08 0.00 0.00 0.00 0.00 60.65 59.60 1oat s ILE 412 Cb -0.15 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 1oat s ILE 412 CO 0.01 0.54 0.14 -0.60 0.00 0.00 0.00 174.94 175.03 1oat s ARG 413 N 0.48 3.71 -0.26 2.79 3.52 -1.25 -0.96 118.95 126.98 1oat s ARG 413 Ca -0.13 -0.16 0.01 0.00 -0.13 0.00 0.00 55.73 55.32 1oat s ARG 413 Cb -0.17 -3.27 0.05 0.00 -1.56 0.00 0.00 34.95 30.00 1oat s ARG 413 CO 0.05 0.61 -0.08 -0.06 -0.81 0.00 0.00 175.30 175.00 1oat s PHE 414 N -0.53 3.19 -0.38 5.12 0.08 0.28 -4.55 117.98 121.19 1oat s PHE 414 Ca 0.12 -2.04 0.02 0.00 0.12 0.00 0.00 56.93 55.15 1oat s PHE 414 Cb -0.12 -1.99 0.16 0.00 -0.57 0.00 0.00 43.02 40.50 1oat s PHE 414 CO 0.02 -0.83 0.31 0.00 -0.10 0.00 0.00 175.22 174.61 1oat s ALA 415 N 1.19 0.67 0.39 5.36 0.00 -0.14 -2.21 121.76 127.02 1oat s ALA 415 Ca -0.05 -1.81 -0.12 0.00 0.00 0.00 0.00 51.96 49.97 1oat s ALA 415 Cb -0.19 -1.74 -0.07 0.00 0.00 0.00 0.00 23.12 21.12 1oat s ALA 415 CO -0.05 -2.08 0.78 -1.25 0.00 0.00 0.00 175.76 173.16 1oat s PRO 416 N 0.81 3.87 0.41 0.00 0.04 -1.26 -2.79 135.00 136.07 1oat s PRO 416 Ca 0.23 0.58 -0.23 0.00 0.04 0.00 0.00 61.00 61.61 1oat s PRO 416 Cb -0.12 -2.38 -0.12 0.00 0.04 0.00 0.00 34.50 31.93 1oat s PRO 416 CO -0.07 0.00 0.77 -2.30 0.04 0.00 0.00 177.00 175.45 1oat n PRO 417 N -1.03 0.91 0.07 0.56 -0.02 -1.26 -4.82 135.00 129.41 1oat n PRO 417 Ca 0.03 0.33 0.08 0.00 -2.02 0.00 0.00 63.50 61.93 1oat n PRO 417 Cb 0.54 -1.75 0.37 0.00 -0.02 0.00 0.00 33.50 32.64 1oat n PRO 417 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1oat n LEU 418 N 0.91 0.33 0.00 2.45 4.77 0.62 -2.65 117.00 123.43 1oat n LEU 418 Ca 0.11 0.60 0.13 0.00 -0.03 0.00 0.00 56.01 56.82 1oat n LEU 418 Cb 0.39 -0.57 0.70 0.00 -2.33 0.00 0.00 43.42 41.61 1oat n LEU 418 CO 0.56 -0.50 0.97 1.33 -1.33 0.00 0.00 177.39 178.42 1oat n VAL 419 N -1.88 0.10 -1.71 4.08 0.24 -1.24 -4.70 118.33 113.23 1oat n VAL 419 Ca 0.02 0.03 -0.39 0.00 -2.04 0.00 0.00 64.34 61.95 1oat n VAL 419 Cb 0.15 -0.57 0.04 0.00 -1.47 0.00 0.00 33.84 31.98 1oat n VAL 419 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1oat n ILE 420 N -1.26 3.56 -4.04 1.34 3.06 -1.08 -5.02 119.36 115.92 1oat n ILE 420 Ca 0.14 -0.50 -0.22 0.00 -2.50 0.00 0.00 62.75 59.67 1oat n ILE 420 Cb 0.21 -1.53 -0.04 0.00 0.54 0.00 0.00 39.64 38.82 1oat n ILE 420 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 1oat s LYS 421 N -2.72 2.86 0.30 9.51 1.02 -1.26 -4.98 119.74 124.46 1oat s LYS 421 Ca 0.70 -1.13 0.02 0.00 0.02 0.00 0.00 55.97 55.59 1oat s LYS 421 Cb -0.44 -2.53 0.58 0.00 -0.52 0.00 0.00 37.83 34.92 1oat s LYS 421 CO 0.50 0.32 1.87 1.49 -0.92 0.00 0.00 175.35 178.61 1oat h GLU 422 N 1.43 0.95 -0.26 1.68 4.81 -1.98 0.05 114.58 121.26 1oat h GLU 422 Ca -0.47 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 58.68 1oat h GLU 422 Cb 1.24 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 1oat h GLU 422 CO 0.60 0.63 0.09 0.38 -0.73 0.00 0.00 179.01 179.98 1oat h ASP 423 N 0.97 0.37 -0.82 1.04 2.03 -1.98 0.97 116.42 118.99 1oat h ASP 423 Ca 0.45 -0.19 -0.04 0.00 -0.73 0.00 0.00 57.03 56.53 1oat h ASP 423 Cb 0.41 -0.10 -0.04 0.00 -0.83 0.00 0.00 39.33 38.78 1oat h ASP 423 CO -0.21 0.45 0.36 -0.33 -1.03 0.00 0.00 179.24 178.48 1oat h GLU 424 N 0.26 1.21 -0.54 4.15 5.08 -1.82 -0.21 114.58 122.70 1oat h GLU 424 Ca 0.09 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.19 1oat h GLU 424 Cb 0.21 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1oat h GLU 424 CO -0.00 0.95 0.11 1.25 -1.00 0.00 0.00 179.01 180.32 1oat h LEU 425 N 1.19 0.84 -0.81 1.33 5.85 -0.75 -0.27 115.31 122.69 1oat h LEU 425 Ca 0.28 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.78 1oat h LEU 425 Cb 0.17 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 1oat h LEU 425 CO -0.03 0.87 0.52 -0.09 -0.34 0.00 0.00 178.44 179.37 1oat h ARG 426 N 0.78 1.00 -0.49 1.25 9.65 -0.14 -0.04 114.38 126.38 1oat h ARG 426 Ca 0.17 -0.06 -0.06 0.00 -1.10 0.00 0.00 59.98 58.93 1oat h ARG 426 Cb 0.37 -0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 28.70 1oat h ARG 426 CO 0.01 0.66 0.09 1.49 2.80 0.00 0.00 179.97 185.01 1oat h GLU 427 N 1.03 0.81 -0.56 0.20 4.81 -0.60 -2.70 114.58 117.56 1oat h GLU 427 Ca 0.32 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1oat h GLU 427 Cb -0.02 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 1oat h GLU 427 CO -0.10 0.80 0.31 0.77 -0.73 0.00 0.00 179.01 180.06 1oat h SER 428 N 0.68 0.70 -0.37 1.04 0.02 -0.43 -2.52 113.55 112.68 1oat h SER 428 Ca 0.15 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1oat h SER 428 Cb 0.38 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 1oat h SER 428 CO 0.01 0.59 0.21 0.40 -1.14 0.00 0.00 176.83 176.90 1oat h ILE 429 N 0.76 1.13 -0.68 3.27 2.04 -0.87 -1.49 117.51 121.68 1oat h ILE 429 Ca 0.20 -0.33 -0.08 0.00 1.00 0.00 0.00 64.86 65.65 1oat h ILE 429 Cb 0.04 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 1oat h ILE 429 CO -0.03 0.14 0.11 -0.08 0.00 0.00 0.00 178.15 178.29 1oat h GLU 430 N 0.55 1.12 -0.65 2.37 4.57 -1.13 0.50 114.58 121.90 1oat h GLU 430 Ca 0.14 -0.30 -0.06 0.00 -1.18 0.00 0.00 59.36 57.96 1oat h GLU 430 Cb 0.03 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.46 1oat h GLU 430 CO -0.02 1.02 0.17 0.82 -1.18 0.00 0.00 179.01 179.82 1oat h ILE 431 N 1.04 1.26 -0.52 2.32 2.04 -1.07 0.96 117.51 123.54 1oat h ILE 431 Ca 0.21 -0.92 -0.07 0.00 1.00 0.00 0.00 64.86 65.08 1oat h ILE 431 Cb 0.45 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 1oat h ILE 431 CO 0.01 0.35 0.04 0.40 0.00 0.00 0.00 178.15 178.95 1oat h ILE 432 N 0.97 1.26 -0.04 -0.67 2.04 -0.91 0.08 117.51 120.23 1oat h ILE 432 Ca 0.21 -1.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.04 1oat h ILE 432 Cb 0.34 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1oat h ILE 432 CO -0.00 0.36 0.01 0.78 0.00 0.00 0.00 178.15 179.31 1oat h ASN 433 N 0.77 0.06 -0.28 1.72 2.35 -0.62 -0.97 115.58 118.60 1oat h ASN 433 Ca 0.15 -0.20 0.05 0.00 -0.55 0.00 0.00 56.30 55.76 1oat h ASN 433 Cb 0.46 -0.02 -0.05 0.00 0.05 0.00 0.00 38.32 38.77 1oat h ASN 433 CO 0.02 0.25 -0.05 0.50 -1.65 0.00 0.00 177.43 176.50 1oat h LYS 434 N -0.12 0.03 0.20 0.81 3.64 -0.70 -1.37 116.57 119.05 1oat h LYS 434 Ca 0.01 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1oat h LYS 434 Cb 0.20 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1oat h LYS 434 CO -0.00 0.02 -0.10 1.15 -2.27 0.00 0.00 179.45 178.25 1oat h THR 435 N 0.03 0.88 -0.52 1.00 2.02 -0.93 -2.21 112.91 113.18 1oat h THR 435 Ca 0.13 -0.47 0.04 0.00 0.77 0.00 0.00 66.41 66.88 1oat h THR 435 Cb 0.20 1.17 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 1oat h THR 435 CO -0.27 0.11 0.29 0.40 0.37 0.00 0.00 175.52 176.42 1oat h ILE 436 N -0.51 1.00 0.00 3.11 1.08 -1.10 -2.47 117.51 118.63 1oat h ILE 436 Ca -0.03 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 64.25 1oat h ILE 436 Cb 0.38 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 34.52 1oat h ILE 436 CO 0.05 0.10 0.00 -0.07 -0.69 0.00 0.00 178.15 177.54 1oat h LEU 437 N 0.57 0.00 0.00 1.44 3.38 -1.26 -3.15 115.31 116.28 1oat h LEU 437 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1oat h LEU 437 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1oat h LEU 437 CO -0.13 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.86 1oat n SER 438 N -2.72 0.00 -0.71 -0.43 3.41 -0.83 -5.08 113.62 107.26 1oat n SER 438 Ca 0.02 -0.70 0.13 0.00 -0.26 0.00 0.00 58.87 58.06 1oat n SER 438 Cb 0.33 -0.07 0.33 0.00 -0.26 0.00 0.00 64.21 64.53 1oat n SER 438 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37