#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oat s PRO 37 N 0.00 4.43 0.39 1.61 0.04 -1.26 -4.99 135.00 135.22 2oat s PRO 37 Ca 0.00 2.05 -0.27 0.00 0.04 0.00 0.00 61.00 62.81 2oat s PRO 37 Cb 0.00 -3.16 -0.11 0.00 0.04 0.00 0.00 34.50 31.28 2oat s PRO 37 CO 0.00 -0.13 1.43 -2.30 0.04 0.00 0.00 177.00 176.05 2oat n PRO 38 N 1.74 2.47 -1.98 0.56 -0.02 -1.26 -5.02 135.00 131.49 2oat n PRO 38 Ca 0.03 0.87 -0.29 0.00 -2.02 0.00 0.00 63.50 62.08 2oat n PRO 38 Cb 0.43 -2.59 0.17 0.00 -0.02 0.00 0.00 33.50 31.49 2oat n PRO 38 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2oat s THR 39 N -1.13 2.01 0.13 3.45 -1.32 -1.26 -4.87 115.64 112.64 2oat s THR 39 Ca 0.55 -0.05 -0.17 0.00 -1.21 0.00 0.00 61.69 60.82 2oat s THR 39 Cb -0.49 -2.96 -0.01 0.00 -1.51 0.00 0.00 72.50 67.53 2oat s THR 39 CO 0.62 0.00 1.70 0.28 -2.21 0.00 0.00 174.62 175.01 2oat h SER 40 N -1.52 0.49 -0.37 8.08 0.02 -1.95 -0.93 113.55 117.37 2oat h SER 40 Ca -0.44 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.35 2oat h SER 40 Cb 1.24 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.63 2oat h SER 40 CO 0.40 0.50 0.16 0.44 -1.14 0.00 0.00 176.83 177.19 2oat h ASP 41 N 0.46 0.54 -0.12 3.07 5.19 -1.99 -1.15 116.42 122.42 2oat h ASP 41 Ca 0.13 -0.06 -0.13 0.00 -0.62 0.00 0.00 57.03 56.35 2oat h ASP 41 Cb 0.14 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 2oat h ASP 41 CO -0.01 0.50 -0.37 0.44 -3.12 0.00 0.00 179.24 176.67 2oat h ASP 42 N 0.60 0.67 -0.35 6.45 3.32 -1.83 -2.00 116.42 123.28 2oat h ASP 42 Ca 0.15 -0.29 -0.07 0.00 0.02 0.00 0.00 57.03 56.84 2oat h ASP 42 Cb 0.13 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 2oat h ASP 42 CO -0.01 0.98 -0.06 0.40 -1.72 0.00 0.00 179.24 178.82 2oat h ILE 43 N 0.53 1.27 -0.23 0.35 2.04 -0.18 -1.70 117.51 119.59 2oat h ILE 43 Ca 0.05 -1.10 0.01 0.00 1.00 0.00 0.00 64.86 64.82 2oat h ILE 43 Cb 0.89 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 2oat h ILE 43 CO 0.08 0.36 0.11 -0.26 0.00 0.00 0.00 178.15 178.44 2oat h PHE 44 N 0.46 0.21 -0.53 1.37 0.04 -1.17 -2.51 116.94 114.81 2oat h PHE 44 Ca 0.09 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.85 2oat h PHE 44 Cb 0.55 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.62 2oat h PHE 44 CO 0.05 0.12 0.24 1.49 -0.60 0.00 0.00 178.31 179.61 2oat h GLU 45 N 0.24 0.77 -0.58 1.51 4.81 -1.31 -1.70 114.58 118.33 2oat h GLU 45 Ca 0.10 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2oat h GLU 45 Cb 0.03 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 2oat h GLU 45 CO -0.07 0.65 0.33 -0.09 -0.73 0.00 0.00 179.01 179.10 2oat h ARG 46 N 0.71 0.81 -0.34 1.92 2.43 -1.16 -1.73 114.38 117.02 2oat h ARG 46 Ca 0.18 -0.09 -0.11 0.00 -0.81 0.00 0.00 59.98 59.15 2oat h ARG 46 Cb 0.14 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 2oat h ARG 46 CO -0.02 0.61 -0.25 0.93 -1.51 0.00 0.00 179.97 179.72 2oat h GLU 47 N 0.79 0.68 -0.75 0.20 5.08 -1.29 -1.52 114.58 117.76 2oat h GLU 47 Ca 0.21 -0.28 0.03 0.00 -1.00 0.00 0.00 59.36 58.31 2oat h GLU 47 Cb 0.03 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2oat h GLU 47 CO -0.03 0.87 0.49 -0.92 -1.00 0.00 0.00 179.01 178.42 2oat h TYR 48 N 0.59 0.90 0.20 4.33 5.03 -0.96 0.20 116.97 127.26 2oat h TYR 48 Ca 0.08 0.02 -0.27 0.00 2.58 0.00 0.00 58.73 61.15 2oat h TYR 48 Cb 0.74 -0.30 0.03 0.00 1.55 0.00 0.00 36.73 38.75 2oat h TYR 48 CO 0.03 0.54 -1.18 -0.22 -1.32 0.00 0.00 178.16 176.01 2oat h LYS 49 N 0.95 0.42 -0.01 1.82 3.64 -0.99 -3.40 116.57 119.00 2oat h LYS 49 Ca 0.29 -0.71 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2oat h LYS 49 Cb -0.00 0.27 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2oat h LYS 49 CO -0.08 1.34 -0.45 0.66 -2.27 0.00 0.00 179.45 178.66 2oat n TYR 50 N -3.91 0.00 -4.23 1.91 4.01 -0.60 -5.00 117.16 109.33 2oat n TYR 50 Ca -0.16 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.31 2oat n TYR 50 Cb 0.97 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.92 2oat n TYR 50 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2oat s GLY 51 N -1.97 1.73 0.73 2.72 0.00 0.71 -5.05 107.32 106.20 2oat s GLY 51 Ca 0.09 -1.39 -0.15 0.00 0.00 0.00 0.00 44.72 43.26 2oat s GLY 51 CO 0.44 -1.41 1.23 0.00 0.00 0.00 0.00 173.10 173.36 2oat s ALA 52 N -1.71 2.10 -0.58 3.20 0.00 -1.26 -4.73 121.76 118.78 2oat s ALA 52 Ca 0.26 0.96 -0.02 0.00 0.00 0.00 0.00 51.96 53.16 2oat s ALA 52 Cb -0.09 -3.50 0.37 0.00 0.00 0.00 0.00 23.12 19.89 2oat s ALA 52 CO 0.17 -1.93 2.06 0.72 0.00 0.00 0.00 175.76 176.79 2oat n HIS 53 N -2.67 2.71 1.14 0.00 8.25 -1.26 -4.62 115.22 118.77 2oat n HIS 53 Ca 0.14 -2.66 0.12 0.00 -0.26 0.00 0.00 57.72 55.06 2oat n HIS 53 Cb 0.50 -1.30 0.62 0.00 1.12 0.00 0.00 29.99 30.92 2oat n HIS 53 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2oat n ASN 54 N -0.49 0.00 -4.33 0.41 6.94 -1.26 -4.74 115.26 111.79 2oat n ASN 54 Ca 0.53 0.03 -0.25 0.00 -0.02 0.00 0.00 54.58 54.87 2oat n ASN 54 Cb 0.60 -0.32 -0.12 0.00 -2.36 0.00 0.00 39.78 37.57 2oat n ASN 54 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 2oat s TYR 55 N -2.65 1.95 -0.55 -2.53 1.51 -1.26 -5.08 117.35 108.73 2oat s TYR 55 Ca 0.22 -0.42 0.04 0.00 -1.01 0.00 0.00 57.07 55.90 2oat s TYR 55 Cb 0.17 -1.03 0.15 0.00 -0.11 0.00 0.00 41.96 41.14 2oat s TYR 55 CO 0.40 0.29 0.36 -1.58 -1.11 0.00 0.00 175.55 173.91 2oat s HIS 56 N -1.38 2.65 0.85 2.71 2.46 -1.26 -5.12 115.29 116.20 2oat s HIS 56 Ca 0.11 -2.89 -0.11 0.00 0.47 0.00 0.00 55.06 52.64 2oat s HIS 56 Cb -0.09 -2.18 0.10 0.00 -0.13 0.00 0.00 32.58 30.28 2oat s HIS 56 CO 0.06 -0.69 1.09 -2.14 -2.47 0.00 0.00 174.74 170.59 2oat s PRO 57 N -0.54 1.65 0.10 2.88 0.02 -1.26 -5.00 135.00 132.85 2oat s PRO 57 Ca 0.23 0.89 -0.30 0.00 0.02 0.00 0.00 61.00 61.84 2oat s PRO 57 Cb -0.11 -1.85 -0.06 0.00 0.02 0.00 0.00 34.50 32.50 2oat s PRO 57 CO -0.10 -1.99 1.13 -1.17 -0.33 0.00 0.00 177.00 174.54 2oat s LEU 58 N -6.07 4.42 -0.87 -5.54 2.96 -1.26 -4.91 118.68 107.40 2oat s LEU 58 Ca 0.62 2.01 -0.25 0.00 -0.22 0.00 0.00 54.13 56.29 2oat s LEU 58 Cb -0.17 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.89 2oat s LEU 58 CO 0.56 -0.35 1.94 -2.84 -1.32 0.00 0.00 176.35 174.35 2oat s PRO 59 N 0.47 2.56 -0.20 0.98 0.02 -1.26 -4.84 135.00 132.73 2oat s PRO 59 Ca 0.54 -0.19 -0.17 0.00 0.02 0.00 0.00 61.00 61.20 2oat s PRO 59 Cb -0.28 -4.99 0.05 0.00 0.02 0.00 0.00 34.50 29.30 2oat s PRO 59 CO 0.31 -3.31 0.52 0.08 -0.33 0.00 0.00 177.00 174.27 2oat s VAL 60 N 9.98 -0.00 -0.33 3.83 1.01 -1.26 -5.12 120.40 128.51 2oat s VAL 60 Ca 0.70 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.73 2oat s VAL 60 Cb -0.07 -0.73 0.09 0.00 0.00 0.00 0.00 36.38 35.67 2oat s VAL 60 CO 0.02 0.01 0.03 0.00 0.00 0.00 0.00 175.10 175.15 2oat s ALA 61 N 0.56 2.86 0.20 5.51 0.00 -1.26 -5.10 121.76 124.52 2oat s ALA 61 Ca -0.02 -2.40 -0.14 0.00 0.00 0.00 0.00 51.96 49.39 2oat s ALA 61 Cb -0.04 -1.93 -0.08 0.00 0.00 0.00 0.00 23.12 21.07 2oat s ALA 61 CO -0.03 -1.61 0.61 -0.51 0.00 0.00 0.00 175.76 174.22 2oat s LEU 62 N 0.95 4.26 0.00 0.00 2.01 -1.26 -0.76 118.68 123.88 2oat s LEU 62 Ca 0.07 1.14 0.00 0.00 0.01 0.00 0.00 54.13 55.35 2oat s LEU 62 Cb -0.19 -3.54 0.00 0.00 0.01 0.00 0.00 46.19 42.47 2oat s LEU 62 CO -0.07 0.01 0.00 -1.84 1.01 0.00 0.00 176.35 175.45 2oat n GLU 63 N 0.42 3.24 -3.90 1.70 0.28 -0.15 -4.85 120.64 117.38 2oat n GLU 63 Ca -0.02 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 56.87 2oat n GLU 63 Cb 0.52 -0.57 -0.10 0.00 1.43 0.00 0.00 31.44 32.71 2oat n GLU 63 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 2oat s ARG 64 N -0.94 0.42 -0.02 3.44 3.52 -1.13 -5.01 118.95 119.23 2oat s ARG 64 Ca 0.00 -0.45 -0.02 0.00 -0.13 0.00 0.00 55.73 55.13 2oat s ARG 64 Cb 0.00 0.17 0.01 0.00 -1.56 0.00 0.00 34.95 33.56 2oat s ARG 64 CO 0.00 -0.09 0.07 0.20 -0.81 0.00 0.00 175.30 174.66 2oat s GLY 65 N -1.36 -0.04 -0.21 8.12 0.00 -1.26 -0.38 107.32 112.19 2oat s GLY 65 Ca -0.15 0.16 -0.08 0.00 0.00 0.00 0.00 44.72 44.65 2oat s GLY 65 CO 0.01 0.12 0.46 1.25 0.00 0.00 0.00 173.10 174.94 2oat s LYS 66 N -0.05 0.38 7.45 2.90 2.47 0.15 -4.50 119.74 128.54 2oat s LYS 66 Ca -0.01 1.05 0.00 0.00 -1.56 0.00 0.00 55.97 55.45 2oat s LYS 66 Cb -0.01 0.33 0.00 0.00 -1.46 0.00 0.00 37.83 36.69 2oat s LYS 66 CO 0.00 -0.22 0.00 0.41 0.16 0.00 0.00 175.35 175.70 2oat n GLY 67 N 5.15 2.72 0.08 5.54 0.00 -0.48 -1.81 105.19 116.39 2oat n GLY 67 Ca -0.12 -0.26 0.14 0.00 0.00 0.00 0.00 46.02 45.78 2oat n GLY 67 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2oat n ILE 68 N 0.00 0.00 -4.13 -0.61 -5.35 -1.26 -0.90 119.36 107.12 2oat n ILE 68 Ca 0.00 -0.04 -0.31 0.00 -0.27 0.00 0.00 62.75 62.13 2oat n ILE 68 Cb 0.00 -0.16 -0.08 0.00 -1.74 0.00 0.00 39.64 37.66 2oat n ILE 68 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 2oat s TYR 69 N -2.57 3.07 0.05 4.28 2.02 -0.75 -0.54 117.35 122.91 2oat s TYR 69 Ca 0.26 0.03 0.06 0.00 -0.37 0.00 0.00 57.07 57.05 2oat s TYR 69 Cb 0.20 -1.59 -0.03 0.00 -0.40 0.00 0.00 41.96 40.14 2oat s TYR 69 CO 0.49 0.49 -0.17 -0.51 -1.57 0.00 0.00 175.55 174.29 2oat s LEU 70 N -2.21 2.20 -0.09 -1.29 1.43 -0.54 -0.67 118.68 117.51 2oat s LEU 70 Ca 0.26 -0.53 0.04 0.00 -1.03 0.00 0.00 54.13 52.87 2oat s LEU 70 Cb -0.12 -0.72 -0.00 0.00 0.03 0.00 0.00 46.19 45.38 2oat s LEU 70 CO 0.18 0.05 -0.23 0.26 0.23 0.00 0.00 176.35 176.84 2oat s TRP 71 N -0.94 2.46 0.78 0.29 0.51 0.48 -0.70 118.94 121.83 2oat s TRP 71 Ca 0.03 -0.95 -0.08 0.00 -2.12 0.00 0.00 56.10 52.98 2oat s TRP 71 Cb -0.09 -1.64 0.11 0.00 -0.81 0.00 0.00 33.47 31.04 2oat s TRP 71 CO 0.02 -0.37 1.10 0.16 -0.51 0.00 0.00 176.95 177.35 2oat s ASP 72 N 0.26 4.24 0.35 2.95 1.47 -0.52 -0.98 116.67 124.44 2oat s ASP 72 Ca -0.16 0.23 0.27 0.00 1.18 0.00 0.00 52.55 54.07 2oat s ASP 72 Cb -0.17 -0.65 1.15 0.00 -0.34 0.00 0.00 42.92 42.91 2oat s ASP 72 CO 0.08 -1.97 1.80 -0.37 0.68 0.00 0.00 175.17 175.38 2oat h VAL 73 N -0.88 0.00 -0.04 2.11 -1.51 -1.27 -0.57 116.25 114.09 2oat h VAL 73 Ca -0.43 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 64.76 2oat h VAL 73 Cb 1.28 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 31.52 2oat h VAL 73 CO 0.50 0.00 0.00 -0.62 -1.23 0.00 0.00 177.57 176.22 2oat n GLU 74 N -2.49 1.57 -0.78 5.19 4.71 -1.26 -4.92 120.64 122.66 2oat n GLU 74 Ca 0.01 -0.84 0.00 0.00 -0.01 0.00 0.00 57.16 56.32 2oat n GLU 74 Cb 0.23 -1.46 0.00 0.00 -1.01 0.00 0.00 31.44 29.20 2oat n GLU 74 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2oat n GLY 75 N 1.13 0.77 3.76 0.62 0.00 -0.22 -5.05 105.19 106.20 2oat n GLY 75 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 2oat n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2oat s ARG 76 N -0.22 3.48 -0.11 1.61 0.52 -1.26 -4.72 118.95 118.25 2oat s ARG 76 Ca 0.00 1.86 -0.02 0.00 -0.52 0.00 0.00 55.73 57.05 2oat s ARG 76 Cb 0.00 -2.26 -0.03 0.00 0.52 0.00 0.00 34.95 33.17 2oat s ARG 76 CO 0.00 -0.81 -0.03 0.21 0.02 0.00 0.00 175.30 174.70 2oat s LYS 77 N -2.89 3.17 0.04 3.54 2.20 -1.26 -1.44 119.74 123.08 2oat s LYS 77 Ca 0.68 -0.47 0.02 0.00 -0.36 0.00 0.00 55.97 55.84 2oat s LYS 77 Cb -0.31 -2.79 -0.02 0.00 -1.51 0.00 0.00 37.83 33.20 2oat s LYS 77 CO 0.36 0.54 -0.07 0.71 -0.36 0.00 0.00 175.35 176.53 2oat s TYR 78 N -0.45 0.62 0.00 4.03 1.51 0.13 -4.75 117.35 118.45 2oat s TYR 78 Ca 0.07 -0.46 -0.30 0.00 -1.01 0.00 0.00 57.07 55.38 2oat s TYR 78 Cb -0.12 -0.38 -0.04 0.00 -0.11 0.00 0.00 41.96 41.31 2oat s TYR 78 CO 0.02 -0.08 1.13 -0.06 -1.11 0.00 0.00 175.55 175.45 2oat s PHE 79 N -1.25 3.44 -0.57 2.71 0.08 -0.20 -1.47 117.98 120.73 2oat s PHE 79 Ca -0.09 1.41 -0.25 0.00 0.12 0.00 0.00 56.93 58.12 2oat s PHE 79 Cb -0.09 -3.32 0.04 0.00 -0.57 0.00 0.00 43.02 39.08 2oat s PHE 79 CO 0.00 -0.86 0.99 0.34 -0.10 0.00 0.00 175.22 175.59 2oat s ASP 80 N 1.16 6.34 -0.33 1.36 -1.08 0.30 -0.25 116.67 124.16 2oat s ASP 80 Ca 0.55 -0.31 0.09 0.00 -0.52 0.00 0.00 52.55 52.36 2oat s ASP 80 Cb -0.25 -2.46 0.63 0.00 -1.46 0.00 0.00 42.92 39.38 2oat s ASP 80 CO 0.26 -1.30 1.69 0.49 0.52 0.00 0.00 175.17 176.83 2oat n PHE 81 N 7.69 2.02 0.00 -5.34 3.01 0.45 -4.01 117.46 121.28 2oat n PHE 81 Ca 0.03 -1.45 0.00 0.00 1.01 0.00 0.00 57.45 57.04 2oat n PHE 81 Cb 0.48 -0.65 0.00 0.00 -0.01 0.00 0.00 39.48 39.30 2oat n PHE 81 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 2oat n LEU 82 N -0.75 0.24 -3.88 4.37 7.94 -1.17 -1.14 117.00 122.60 2oat n LEU 82 Ca 0.41 0.00 -0.31 0.00 -1.11 0.00 0.00 56.01 55.00 2oat n LEU 82 Cb 1.30 0.00 0.00 0.00 0.53 0.00 0.00 43.42 45.25 2oat n LEU 82 CO 0.37 0.04 0.03 -1.20 -1.11 0.00 0.00 177.39 175.52 2oat n SER 83 N -1.88 -4.08 -3.88 1.96 7.64 -1.18 -1.92 113.62 110.28 2oat n SER 83 Ca 0.00 -0.76 -0.26 0.00 1.01 0.00 0.00 58.87 58.87 2oat n SER 83 Cb 0.44 -3.31 0.01 0.00 -1.01 0.00 0.00 64.21 60.34 2oat n SER 83 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2oat n SER 84 N -2.63 -1.69 -2.85 6.43 7.64 -1.26 -1.02 113.62 118.24 2oat n SER 84 Ca 0.04 -0.90 -0.19 0.00 1.01 0.00 0.00 58.87 58.84 2oat n SER 84 Cb 0.52 -3.54 0.06 0.00 -1.01 0.00 0.00 64.21 60.23 2oat n SER 84 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2oat n TYR 85 N -4.40 -2.15 -1.51 1.43 4.01 -0.81 -2.65 117.16 111.07 2oat n TYR 85 Ca -0.21 0.73 -0.09 0.00 -0.16 0.00 0.00 57.90 58.17 2oat n TYR 85 Cb 0.64 -4.12 -0.03 0.00 -0.31 0.00 0.00 39.34 35.52 2oat n TYR 85 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2oat n SER 86 N -1.98 -3.90 0.05 7.72 2.88 -0.38 -4.90 113.62 113.11 2oat n SER 86 Ca -0.01 0.17 0.08 0.00 -1.33 0.00 0.00 58.87 57.78 2oat n SER 86 Cb 0.56 -2.48 -0.07 0.00 -0.75 0.00 0.00 64.21 61.47 2oat n SER 86 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2oat n ALA 87 N 0.49 2.40 -2.23 -1.46 0.00 -0.19 -3.16 120.51 116.36 2oat n ALA 87 Ca -0.10 -0.42 -0.35 0.00 0.00 0.00 0.00 53.44 52.57 2oat n ALA 87 Cb 0.38 -0.95 0.02 0.00 0.00 0.00 0.00 19.45 18.90 2oat n ALA 87 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2oat n VAL 88 N -2.64 3.45 -0.30 0.00 0.24 -0.94 -2.25 118.33 115.89 2oat n VAL 88 Ca -0.05 -4.75 0.07 0.00 -2.04 0.00 0.00 64.34 57.57 2oat n VAL 88 Cb 0.65 -1.29 0.28 0.00 -1.47 0.00 0.00 33.84 32.01 2oat n VAL 88 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 2oat h ASN 89 N 3.00 0.84 0.00 -1.34 4.21 -1.83 0.11 115.58 120.56 2oat h ASN 89 Ca 0.46 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.99 2oat h ASN 89 Cb 0.36 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 37.41 2oat h ASN 89 CO 1.19 0.49 0.00 0.00 -1.29 0.00 0.00 177.43 177.83 2oat n GLN 90 N -4.54 0.79 0.00 0.81 3.00 -1.26 -0.15 117.38 116.03 2oat n GLN 90 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 2oat n GLN 90 Cb 0.30 -1.46 0.00 0.00 0.00 0.00 0.00 30.24 29.08 2oat n GLN 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2oat n GLY 91 N 0.56 -0.71 3.75 1.08 0.00 0.38 -4.66 105.19 105.58 2oat n GLY 91 Ca 0.17 -1.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.20 2oat n GLY 91 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2oat s HIS 92 N -3.06 3.14 -1.23 1.61 0.09 -0.08 -3.77 115.29 111.99 2oat s HIS 92 Ca 0.00 1.24 -0.09 0.00 -0.00 0.00 0.00 55.06 56.21 2oat s HIS 92 Cb 0.00 -3.68 -0.01 0.00 -0.00 0.00 0.00 32.58 28.89 2oat s HIS 92 CO 0.00 -2.05 0.71 0.00 -0.00 0.00 0.00 174.74 173.39 2oat s HIS 94 N -3.61 3.08 0.28 0.00 5.04 -1.25 -4.83 115.29 114.00 2oat s HIS 94 Ca 0.23 0.66 0.02 0.00 -1.54 0.00 0.00 55.06 54.43 2oat s HIS 94 Cb -0.07 -3.91 0.63 0.00 0.04 0.00 0.00 32.58 29.27 2oat s HIS 94 CO 0.84 -3.33 1.78 -1.00 -2.34 0.00 0.00 174.74 170.69 2oat h PRO 95 N 6.78 0.73 -0.41 2.88 0.13 -1.95 -0.22 132.00 139.94 2oat h PRO 95 Ca -0.43 -0.04 -0.11 0.00 -0.87 0.00 0.00 66.00 64.55 2oat h PRO 95 Cb 1.20 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 2oat h PRO 95 CO 0.91 0.48 -0.18 -0.22 -0.23 0.00 0.00 178.00 178.75 2oat h LYS 96 N 0.75 0.78 -0.12 0.86 3.64 -1.96 -0.37 116.57 120.16 2oat h LYS 96 Ca 0.52 -0.30 -0.16 0.00 -1.27 0.00 0.00 60.65 59.45 2oat h LYS 96 Cb 0.74 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.52 2oat h LYS 96 CO -0.36 0.91 -0.55 0.82 -2.27 0.00 0.00 179.45 178.01 2oat h ILE 97 N 0.69 1.35 -0.31 2.00 2.04 -1.56 -2.01 117.51 119.71 2oat h ILE 97 Ca 0.10 -1.84 0.04 0.00 1.00 0.00 0.00 64.86 64.15 2oat h ILE 97 Cb 0.69 2.14 -0.03 0.00 -0.74 0.00 0.00 36.82 38.88 2oat h ILE 97 CO 0.05 0.56 0.10 0.58 0.00 0.00 0.00 178.15 179.45 2oat h VAL 98 N 0.20 0.91 -0.76 1.67 2.07 -1.01 -0.92 116.25 118.41 2oat h VAL 98 Ca -0.04 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 2oat h VAL 98 Cb 1.19 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 2oat h VAL 98 CO 0.11 0.04 0.47 0.78 0.02 0.00 0.00 177.57 178.99 2oat h ASN 99 N 0.24 0.89 -0.44 0.57 2.35 -1.06 0.13 115.58 118.26 2oat h ASN 99 Ca 0.14 -0.04 -0.12 0.00 -0.55 0.00 0.00 56.30 55.73 2oat h ASN 99 Cb 0.11 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 2oat h ASN 99 CO -0.15 0.68 -0.17 0.00 -1.65 0.00 0.00 177.43 176.13 2oat h ALA 100 N 1.48 0.79 0.19 -0.83 0.00 -0.70 -1.26 119.26 118.93 2oat h ALA 100 Ca 0.27 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2oat h ALA 100 Cb -0.06 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2oat h ALA 100 CO -0.05 0.66 -0.09 1.25 0.00 0.00 0.00 179.25 181.01 2oat h LEU 101 N 0.82 -0.22 -1.46 0.00 5.85 -0.10 -2.19 115.31 118.01 2oat h LEU 101 Ca 0.12 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.77 2oat h LEU 101 Cb 0.73 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 2oat h LEU 101 CO 0.06 0.01 0.44 0.11 -0.34 0.00 0.00 178.44 178.72 2oat h LYS 102 N -0.45 0.63 -0.28 1.25 1.57 -0.75 -0.89 116.57 117.65 2oat h LYS 102 Ca -0.03 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.64 2oat h LYS 102 Cb 0.34 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2oat h LYS 102 CO 0.04 0.42 -0.13 1.03 -0.57 0.00 0.00 179.45 180.24 2oat h SER 103 N 0.65 0.60 0.43 0.86 0.87 -1.08 -3.24 113.55 112.63 2oat h SER 103 Ca 0.29 -0.40 -0.19 0.00 -1.23 0.00 0.00 61.79 60.25 2oat h SER 103 Cb 0.31 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 2oat h SER 103 CO -0.09 0.87 -0.83 -0.61 -0.53 0.00 0.00 176.83 175.64 2oat h GLN 104 N 0.33 0.30 0.00 2.24 5.75 -0.97 -3.30 115.11 119.45 2oat h GLN 104 Ca 0.06 -0.29 -0.00 0.00 -0.15 0.00 0.00 58.65 58.27 2oat h GLN 104 Cb 0.64 0.07 -0.00 0.00 1.07 0.00 0.00 27.48 29.26 2oat h GLN 104 CO 0.04 0.97 -0.02 0.28 -2.65 0.00 0.00 178.83 177.45 2oat h VAL 105 N 0.18 0.35 0.00 2.39 2.07 -1.20 0.44 116.25 120.48 2oat h VAL 105 Ca -0.04 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2oat h VAL 105 Cb 1.43 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 2oat h VAL 105 CO 0.13 0.02 -0.03 0.44 0.02 0.00 0.00 177.57 178.15 2oat h ASP 106 N 0.00 0.00 0.00 0.57 3.32 -1.65 -3.39 116.42 115.27 2oat h ASP 106 Ca -0.00 -0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.75 2oat h ASP 106 Cb 0.07 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 2oat h ASP 106 CO 0.00 0.00 -1.90 0.29 -1.72 0.00 0.00 179.24 175.92 2oat n LYS 107 N -2.72 0.56 -3.63 3.56 5.02 0.11 -5.07 118.16 115.99 2oat n LYS 107 Ca 0.05 0.29 -0.01 0.00 -2.02 0.00 0.00 58.31 56.61 2oat n LYS 107 Cb 0.49 -1.51 -0.06 0.00 -0.02 0.00 0.00 35.03 33.93 2oat n LYS 107 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2oat s LEU 108 N -7.69 -0.39 -0.05 -0.35 0.20 -0.98 -5.09 118.68 104.33 2oat s LEU 108 Ca -0.34 0.62 0.04 0.00 0.69 0.00 0.00 54.13 55.13 2oat s LEU 108 Cb 0.10 1.56 -0.05 0.00 -0.43 0.00 0.00 46.19 47.37 2oat s LEU 108 CO 0.47 -0.10 0.01 0.35 -0.29 0.00 0.00 176.35 176.79 2oat n THR 109 N 3.62 0.31 -3.45 3.68 -2.24 -1.26 -4.31 114.28 110.64 2oat n THR 109 Ca -0.18 -0.18 0.01 0.00 -2.27 0.00 0.00 64.05 61.43 2oat n THR 109 Cb 0.57 -0.86 -0.03 0.00 -2.10 0.00 0.00 70.33 67.91 2oat n THR 109 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2oat s LEU 110 N -4.45 -1.24 -0.02 3.22 2.96 -1.26 -3.69 118.68 114.19 2oat s LEU 110 Ca -0.03 1.29 0.19 0.00 -0.22 0.00 0.00 54.13 55.37 2oat s LEU 110 Cb 0.01 2.25 -0.28 0.00 0.50 0.00 0.00 46.19 48.68 2oat s LEU 110 CO 0.18 -0.24 0.53 0.35 -1.32 0.00 0.00 176.35 175.86 2oat n THR 111 N 5.44 0.00 -0.09 3.68 -2.24 -1.26 -5.08 114.28 114.74 2oat n THR 111 Ca -0.08 -0.34 0.01 0.00 -2.27 0.00 0.00 64.05 61.38 2oat n THR 111 Cb 0.50 0.32 -0.00 0.00 -2.10 0.00 0.00 70.33 69.04 2oat n THR 111 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2oat n SER 112 N -1.97 -0.52 -0.08 3.42 3.41 -1.26 -4.52 113.62 112.09 2oat n SER 112 Ca -0.02 0.07 0.12 0.00 -0.26 0.00 0.00 58.87 58.79 2oat n SER 112 Cb 0.45 -0.30 0.69 0.00 -0.26 0.00 0.00 64.21 64.79 2oat n SER 112 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2oat n ARG 113 N -2.44 1.11 0.27 4.33 5.12 -1.26 -3.56 116.66 120.23 2oat n ARG 113 Ca -0.00 -0.16 0.16 0.00 -1.93 0.00 0.00 57.85 55.91 2oat n ARG 113 Cb 0.04 -1.39 0.64 0.00 -1.16 0.00 0.00 32.46 30.59 2oat n ARG 113 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2oat h ALA 114 N 3.83 1.01 -2.29 7.54 0.00 -1.98 -3.44 119.26 123.94 2oat h ALA 114 Ca 0.00 -0.05 -0.37 0.00 0.00 0.00 0.00 54.91 54.50 2oat h ALA 114 Cb 0.08 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.71 2oat h ALA 114 CO 0.00 0.06 -0.61 -0.06 0.00 0.00 0.00 179.25 178.64 2oat s PHE 115 N -3.68 1.60 0.18 0.00 0.08 -1.23 -5.16 117.98 109.77 2oat s PHE 115 Ca 0.01 -1.15 -0.03 0.00 0.12 0.00 0.00 56.93 55.88 2oat s PHE 115 Cb 0.09 -0.96 -0.05 0.00 -0.57 0.00 0.00 43.02 41.54 2oat s PHE 115 CO 0.56 -0.29 0.39 0.71 -0.10 0.00 0.00 175.22 176.50 2oat s TYR 116 N -3.69 3.48 0.16 0.36 1.51 -1.26 -4.83 117.35 113.08 2oat s TYR 116 Ca 0.38 0.45 0.10 0.00 -1.01 0.00 0.00 57.07 56.98 2oat s TYR 116 Cb 0.08 -1.93 -0.04 0.00 -0.11 0.00 0.00 41.96 39.96 2oat s TYR 116 CO 0.14 0.39 -0.23 0.54 -1.11 0.00 0.00 175.55 175.28 2oat s ASN 117 N -2.87 3.07 0.30 2.29 2.20 -1.26 -5.02 114.94 113.65 2oat s ASN 117 Ca 0.40 -0.81 0.26 0.00 -0.94 0.00 0.00 52.86 51.76 2oat s ASN 117 Cb -0.11 -0.20 0.96 0.00 -2.00 0.00 0.00 41.25 39.89 2oat s ASN 117 CO 0.27 0.08 1.76 -0.55 -2.94 0.00 0.00 177.10 175.73 2oat h ASN 118 N 3.50 0.00 0.22 3.54 -0.00 -2.00 -3.35 115.58 117.48 2oat h ASN 118 Ca -0.46 0.00 -0.35 0.00 -0.00 0.00 0.00 56.30 55.49 2oat h ASN 118 Cb 1.20 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 39.50 2oat h ASN 118 CO 0.45 0.00 -1.89 0.58 -0.00 0.00 0.00 177.43 176.58 2oat h VAL 119 N 0.00 0.74 -0.38 6.14 2.07 -1.96 -3.41 116.25 119.44 2oat h VAL 119 Ca 0.00 -2.45 0.08 0.00 0.82 0.00 0.00 66.70 65.15 2oat h VAL 119 Cb 0.52 2.55 -0.09 0.00 -1.52 0.00 0.00 31.29 32.75 2oat h VAL 119 CO 0.00 0.83 -0.28 0.25 0.02 0.00 0.00 177.57 178.39 2oat h LEU 120 N 0.07 -0.93 -1.30 2.57 5.85 -1.82 -1.91 115.31 117.83 2oat h LEU 120 Ca -0.38 0.18 0.08 0.00 0.84 0.00 0.00 57.88 58.59 2oat h LEU 120 Cb 2.04 0.45 -0.05 0.00 0.37 0.00 0.00 40.66 43.47 2oat h LEU 120 CO 0.11 -0.29 0.52 1.23 -0.34 0.00 0.00 178.44 179.66 2oat h GLY 121 N -0.22 1.09 1.02 3.75 0.00 -1.83 0.16 103.07 107.05 2oat h GLY 121 Ca 0.18 -0.33 -0.07 0.00 0.00 0.00 0.00 47.33 47.11 2oat h GLY 121 CO -0.51 0.23 0.10 -2.09 0.00 0.00 0.00 176.54 174.27 2oat h GLU 122 N 0.82 0.96 -0.36 4.80 4.81 -1.59 -0.23 114.58 123.79 2oat h GLU 122 Ca 0.35 -0.26 -0.06 0.00 -0.13 0.00 0.00 59.36 59.26 2oat h GLU 122 Cb 0.31 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2oat h GLU 122 CO -0.13 0.91 -0.03 -0.92 -0.73 0.00 0.00 179.01 178.11 2oat h TYR 123 N 0.86 0.72 -0.57 0.92 3.20 -1.06 -2.06 116.97 118.98 2oat h TYR 123 Ca 0.18 -0.13 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 2oat h TYR 123 Cb 0.41 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 2oat h TYR 123 CO 0.03 0.77 0.30 0.93 -1.64 0.00 0.00 178.16 178.55 2oat h GLU 124 N 0.46 0.80 -0.59 1.82 5.08 -0.48 -0.47 114.58 121.19 2oat h GLU 124 Ca 0.10 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 2oat h GLU 124 Cb 0.50 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2oat h GLU 124 CO 0.02 0.62 -0.04 1.49 -1.00 0.00 0.00 179.01 180.10 2oat h GLU 125 N 0.76 1.06 0.16 2.33 4.81 -1.03 -1.47 114.58 121.20 2oat h GLU 125 Ca 0.20 -0.35 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 2oat h GLU 125 Cb 0.06 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.35 2oat h GLU 125 CO -0.03 1.05 -0.07 -0.92 -0.73 0.00 0.00 179.01 178.31 2oat h TYR 126 N 0.96 -0.19 -0.18 0.92 3.20 -1.07 -1.81 116.97 118.80 2oat h TYR 126 Ca 0.16 -0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.86 2oat h TYR 126 Cb 0.60 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 2oat h TYR 126 CO 0.04 -0.05 -0.57 0.97 -1.64 0.00 0.00 178.16 176.91 2oat h ILE 127 N -0.29 1.32 -0.59 1.81 2.10 -1.04 -1.54 117.51 119.28 2oat h ILE 127 Ca -0.02 -1.83 -0.08 0.00 1.08 0.00 0.00 64.86 64.02 2oat h ILE 127 Cb 0.23 1.80 -0.02 0.00 -1.09 0.00 0.00 36.82 37.74 2oat h ILE 127 CO 0.04 0.57 0.07 0.71 -1.08 0.00 0.00 178.15 178.45 2oat h THR 128 N 0.42 1.26 -0.29 2.19 1.35 -1.28 -1.61 112.91 114.95 2oat h THR 128 Ca 0.00 -1.03 -0.15 0.00 -0.55 0.00 0.00 66.41 64.68 2oat h THR 128 Cb 1.11 0.77 -0.01 0.00 -1.73 0.00 0.00 68.15 68.30 2oat h THR 128 CO 0.11 0.38 -0.42 0.11 -0.25 0.00 0.00 175.52 175.44 2oat h LYS 129 N 0.90 0.72 -0.10 4.72 1.57 -1.26 0.23 116.57 123.34 2oat h LYS 129 Ca 0.18 -0.39 0.03 0.00 -1.87 0.00 0.00 60.65 58.60 2oat h LYS 129 Cb 0.46 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 2oat h LYS 129 CO 0.02 1.00 -0.07 1.25 -0.57 0.00 0.00 179.45 181.07 2oat h LEU 130 N 0.58 -0.24 -0.40 2.94 6.46 -1.03 -3.03 115.31 120.60 2oat h LEU 130 Ca 0.04 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 2oat h LEU 130 Cb 0.97 0.12 0.00 0.00 -0.73 0.00 0.00 40.66 41.02 2oat h LEU 130 CO 0.09 -0.10 -0.38 0.49 -0.62 0.00 0.00 178.44 177.92 2oat n PHE 131 N -5.21 0.00 -3.02 1.25 3.72 -0.63 -5.00 117.46 108.56 2oat n PHE 131 Ca -0.04 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.23 2oat n PHE 131 Cb 0.13 -0.13 0.06 0.00 -0.94 0.00 0.00 39.48 38.60 2oat n PHE 131 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2oat n ASN 132 N -0.83 -5.55 -4.20 4.37 4.05 0.76 -5.06 115.26 108.79 2oat n ASN 132 Ca 0.10 -0.60 -0.15 0.00 0.45 0.00 0.00 54.58 54.37 2oat n ASN 132 Cb 0.36 -4.54 -0.11 0.00 1.23 0.00 0.00 39.78 36.72 2oat n ASN 132 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 2oat s TYR 133 N -3.33 1.17 0.17 1.20 2.02 -1.02 -5.03 117.35 112.54 2oat s TYR 133 Ca 0.35 -0.64 -0.13 0.00 -0.37 0.00 0.00 57.07 56.29 2oat s TYR 133 Cb -0.05 -0.63 0.07 0.00 -0.40 0.00 0.00 41.96 40.96 2oat s TYR 133 CO 0.63 0.05 1.76 0.45 -1.57 0.00 0.00 175.55 176.87 2oat h HIS 134 N 3.48 0.82 -4.01 2.71 3.86 -1.88 -3.42 115.15 116.72 2oat h HIS 134 Ca -0.38 -0.04 -0.12 0.00 -1.16 0.00 0.00 60.37 58.67 2oat h HIS 134 Cb 1.19 -0.26 -0.13 0.00 1.06 0.00 0.00 27.41 29.28 2oat h HIS 134 CO 0.64 0.63 -0.39 0.15 0.86 0.00 0.00 177.93 179.82 2oat s LYS 135 N -5.72 1.12 0.02 2.45 1.02 -0.90 -4.96 119.74 112.78 2oat s LYS 135 Ca -0.13 -1.24 0.03 0.00 0.02 0.00 0.00 55.97 54.65 2oat s LYS 135 Cb 0.13 0.35 -0.01 0.00 -0.52 0.00 0.00 37.83 37.77 2oat s LYS 135 CO 0.78 -0.40 -0.08 0.54 -0.92 0.00 0.00 175.35 175.27 2oat s VAL 136 N -3.99 0.64 -0.24 3.17 0.11 -1.26 -2.28 120.40 116.55 2oat s VAL 136 Ca 0.19 -0.69 -0.02 0.00 -2.93 0.00 0.00 61.98 58.54 2oat s VAL 136 Cb 0.04 -0.60 0.02 0.00 -1.53 0.00 0.00 36.38 34.31 2oat s VAL 136 CO 0.01 -0.06 -0.06 -0.22 -3.33 0.00 0.00 175.10 171.44 2oat s LEU 137 N -0.82 3.09 0.01 2.54 1.98 0.26 -4.96 118.68 120.79 2oat s LEU 137 Ca -0.02 -0.75 -0.26 0.00 -2.89 0.00 0.00 54.13 50.21 2oat s LEU 137 Cb -0.06 -1.68 -0.04 0.00 0.66 0.00 0.00 46.19 45.07 2oat s LEU 137 CO 0.00 -0.10 0.82 -2.16 -1.89 0.00 0.00 176.35 173.02 2oat s PRO 138 N 1.36 4.51 0.01 0.98 0.04 -1.26 -1.48 135.00 139.16 2oat s PRO 138 Ca 0.02 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.19 2oat s PRO 138 Cb -0.16 -3.41 -0.00 0.00 0.04 0.00 0.00 34.50 30.97 2oat s PRO 138 CO -0.04 0.13 0.00 -1.33 0.04 0.00 0.00 177.00 175.80 2oat n MET 139 N 3.34 0.80 -0.06 4.56 2.81 -0.54 -4.24 117.12 123.79 2oat n MET 139 Ca 0.00 -0.07 -0.13 0.00 -1.81 0.00 0.00 57.70 55.70 2oat n MET 139 Cb 0.51 0.04 -0.04 0.00 -0.71 0.00 0.00 33.22 33.01 2oat n MET 139 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2oat n ASN 140 N -2.18 1.38 -4.78 7.83 3.02 -1.26 -1.48 115.26 117.78 2oat n ASN 140 Ca -0.00 0.23 -0.22 0.00 -0.03 0.00 0.00 54.58 54.55 2oat n ASN 140 Cb 0.01 -0.53 -0.05 0.00 -0.61 0.00 0.00 39.78 38.60 2oat n ASN 140 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2oat s THR 141 N -2.42 3.39 0.15 3.41 -4.23 -1.26 -2.06 115.64 112.63 2oat s THR 141 Ca -0.21 -1.56 -0.20 0.00 -1.18 0.00 0.00 61.69 58.54 2oat s THR 141 Cb 0.06 -3.09 0.04 0.00 1.34 0.00 0.00 72.50 70.86 2oat s THR 141 CO 0.28 -0.21 1.66 1.23 -0.54 0.00 0.00 174.62 177.04 2oat h GLY 142 N 1.45 0.09 1.60 3.99 0.00 -1.90 -2.36 103.07 105.95 2oat h GLY 142 Ca -0.45 0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.07 2oat h GLY 142 CO 0.61 -0.16 0.26 -0.24 0.00 0.00 0.00 176.54 177.01 2oat h VAL 143 N -0.10 1.09 -0.20 4.60 3.04 -1.96 -1.00 116.25 121.72 2oat h VAL 143 Ca 0.15 -0.18 -0.06 0.00 -1.01 0.00 0.00 66.70 65.61 2oat h VAL 143 Cb 0.33 0.53 -0.01 0.00 -2.01 0.00 0.00 31.29 30.13 2oat h VAL 143 CO -0.35 0.09 -0.14 -0.33 -1.01 0.00 0.00 177.57 175.84 2oat h GLU 144 N 0.51 0.33 -0.45 4.17 5.08 -1.77 0.79 114.58 123.24 2oat h GLU 144 Ca 0.14 -0.08 -0.14 0.00 -1.00 0.00 0.00 59.36 58.28 2oat h GLU 144 Cb -0.04 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2oat h GLU 144 CO -0.03 0.47 -0.26 0.00 -1.00 0.00 0.00 179.01 178.18 2oat h ALA 145 N 1.56 0.64 -0.49 3.43 0.00 -0.85 -1.22 119.26 122.33 2oat h ALA 145 Ca 0.06 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.45 2oat h ALA 145 Cb 0.43 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2oat h ALA 145 CO 0.03 0.66 -0.15 0.78 0.00 0.00 0.00 179.25 180.56 2oat h GLY 146 N 0.81 1.01 1.00 0.00 0.00 -0.82 0.14 103.07 105.21 2oat h GLY 146 Ca 0.09 -0.83 -0.05 0.00 0.00 0.00 0.00 47.33 46.54 2oat h GLY 146 CO 0.07 0.76 0.17 0.83 0.00 0.00 0.00 176.54 178.38 2oat h GLU 147 N 0.83 0.91 -0.26 4.80 4.39 -0.76 -0.69 114.58 123.79 2oat h GLU 147 Ca 0.12 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 2oat h GLU 147 Cb 0.70 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 2oat h GLU 147 CO 0.05 0.82 0.13 1.15 -1.16 0.00 0.00 179.01 180.00 2oat h THR 148 N 0.82 1.14 -0.77 1.13 2.02 -0.97 -1.40 112.91 114.88 2oat h THR 148 Ca 0.19 -0.40 0.02 0.00 0.77 0.00 0.00 66.41 66.98 2oat h THR 148 Cb 0.30 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.61 2oat h THR 148 CO -0.00 0.14 0.50 0.00 0.37 0.00 0.00 175.52 176.53 2oat h ALA 149 N 0.99 0.98 -0.67 6.16 0.00 -0.70 -0.07 119.26 125.96 2oat h ALA 149 Ca 0.09 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2oat h ALA 149 Cb 0.11 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2oat h ALA 149 CO -0.01 0.35 0.19 0.00 0.00 0.00 0.00 179.25 179.78 2oat h LYS 151 N 0.99 0.77 -0.42 0.00 1.57 -0.80 -1.34 116.57 117.34 2oat h LYS 151 Ca 0.22 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2oat h LYS 151 Cb 0.30 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 2oat h LYS 151 CO -0.01 0.92 0.17 -0.07 -0.57 0.00 0.00 179.45 179.89 2oat h LEU 152 N 0.57 0.58 -0.33 2.94 -0.00 -0.81 0.10 115.31 118.36 2oat h LEU 152 Ca 0.10 -0.16 0.03 0.00 -0.00 0.00 0.00 57.88 57.84 2oat h LEU 152 Cb 0.65 -0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 41.13 2oat h LEU 152 CO 0.04 0.58 0.15 0.00 -0.00 0.00 0.00 178.44 179.22 2oat h ALA 153 N 1.02 0.40 -0.06 1.53 0.00 -0.93 0.15 119.26 121.36 2oat h ALA 153 Ca 0.14 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2oat h ALA 153 Cb 0.19 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2oat h ALA 153 CO -0.01 -0.23 0.02 0.00 0.00 0.00 0.00 179.25 179.03 2oat h ARG 154 N 0.32 0.10 -0.97 0.00 3.08 -1.10 0.16 114.38 115.98 2oat h ARG 154 Ca 0.14 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2oat h ARG 154 Cb 0.07 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.06 2oat h ARG 154 CO -0.11 0.27 0.61 -0.22 -1.07 0.00 0.00 179.97 179.45 2oat h LYS 155 N -0.09 1.30 -0.27 0.04 1.63 -0.76 0.33 116.57 118.74 2oat h LYS 155 Ca 0.02 -0.10 -0.14 0.00 -0.85 0.00 0.00 60.65 59.59 2oat h LYS 155 Cb 0.22 -0.28 -0.00 0.00 -0.60 0.00 0.00 32.23 31.56 2oat h LYS 155 CO -0.00 0.88 -0.36 2.35 -3.45 0.00 0.00 179.45 178.87 2oat h TRP 156 N 1.33 0.89 -0.59 1.91 7.01 -0.62 -0.26 115.95 125.62 2oat h TRP 156 Ca 0.35 -0.29 0.10 0.00 2.11 0.00 0.00 58.89 61.16 2oat h TRP 156 Cb -0.10 -0.18 -0.08 0.00 -2.10 0.00 0.00 29.16 26.70 2oat h TRP 156 CO 0.00 1.06 0.17 0.78 -2.79 0.00 0.00 178.44 177.66 2oat h GLY 157 N 0.47 0.79 1.17 2.65 0.00 0.18 0.29 103.07 108.62 2oat h GLY 157 Ca 0.03 -0.07 -0.33 0.00 0.00 0.00 0.00 47.33 46.96 2oat h GLY 157 CO 0.08 -0.07 -1.57 -0.97 0.00 0.00 0.00 176.54 174.02 2oat h TYR 158 N 0.32 0.79 0.00 5.60 0.05 -0.86 0.00 116.97 122.87 2oat h TYR 158 Ca 0.31 -0.57 0.00 0.00 0.05 0.00 0.00 58.73 58.51 2oat h TYR 158 Cb 0.42 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.13 2oat h TYR 158 CO -0.21 1.56 -1.04 0.25 -1.05 0.00 0.00 178.16 177.67 2oat n THR 159 N -3.62 0.17 0.02 -2.88 -2.24 -0.12 -3.89 114.28 101.72 2oat n THR 159 Ca -0.19 -0.25 -0.01 0.00 -2.27 0.00 0.00 64.05 61.33 2oat n THR 159 Cb 1.08 0.20 -0.00 0.00 -2.10 0.00 0.00 70.33 69.51 2oat n THR 159 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2oat n VAL 160 N -1.98 0.91 -0.26 2.28 0.31 0.89 -4.79 118.33 115.69 2oat n VAL 160 Ca 0.02 0.26 -0.07 0.00 -0.01 0.00 0.00 64.34 64.53 2oat n VAL 160 Cb 0.44 -1.61 0.05 0.00 -0.91 0.00 0.00 33.84 31.80 2oat n VAL 160 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2oat h LYS 161 N -0.08 1.14 0.00 5.55 3.64 -1.25 -3.47 116.57 122.09 2oat h LYS 161 Ca -0.02 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 2oat h LYS 161 Cb 0.38 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2oat h LYS 161 CO -0.01 0.99 0.00 0.41 -2.27 0.00 0.00 179.45 178.57 2oat n GLY 162 N -0.70 1.19 3.77 5.01 0.00 -0.58 -5.03 105.19 108.85 2oat n GLY 162 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2oat n GLY 162 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2oat s ILE 163 N -2.00 2.26 0.22 -0.61 1.01 -0.12 -4.93 121.20 117.03 2oat s ILE 163 Ca 0.00 0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.60 2oat s ILE 163 Cb 0.00 -3.16 -0.09 0.00 0.01 0.00 0.00 42.46 39.22 2oat s ILE 163 CO 0.00 0.06 1.32 -1.58 0.00 0.00 0.00 174.94 174.74 2oat s GLN 164 N -2.08 4.38 0.13 2.79 0.74 -1.26 -4.43 119.66 119.93 2oat s GLN 164 Ca 0.53 2.10 -0.31 0.00 0.05 0.00 0.00 55.36 57.73 2oat s GLN 164 Cb -0.44 -3.17 -0.08 0.00 1.10 0.00 0.00 33.01 30.43 2oat s GLN 164 CO 0.59 -0.25 1.30 0.15 -0.55 0.00 0.00 175.29 176.53 2oat s LYS 165 N -0.37 4.38 -0.59 1.67 1.02 -1.26 -0.53 119.74 124.06 2oat s LYS 165 Ca 0.56 1.97 0.06 0.00 0.02 0.00 0.00 55.97 58.58 2oat s LYS 165 Cb -0.37 -3.26 0.30 0.00 -0.52 0.00 0.00 37.83 33.98 2oat s LYS 165 CO 0.41 -0.31 0.86 0.66 -0.92 0.00 0.00 175.35 176.04 2oat n TYR 166 N 3.47 3.68 -0.16 3.18 4.01 -1.26 -5.04 117.16 125.04 2oat n TYR 166 Ca 0.09 -4.05 0.11 0.00 -0.16 0.00 0.00 57.90 53.89 2oat n TYR 166 Cb 0.44 -0.51 0.30 0.00 -0.31 0.00 0.00 39.34 39.25 2oat n TYR 166 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2oat n LYS 167 N 0.23 2.64 -2.37 -0.72 5.02 0.31 -4.98 118.16 118.28 2oat n LYS 167 Ca 0.30 -2.43 -0.40 0.00 -2.02 0.00 0.00 58.31 53.76 2oat n LYS 167 Cb 0.41 -1.55 -0.04 0.00 -0.02 0.00 0.00 35.03 33.83 2oat n LYS 167 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2oat s ALA 168 N -1.17 3.43 0.18 7.82 0.00 -1.26 -4.80 121.76 125.96 2oat s ALA 168 Ca 0.45 1.00 0.10 0.00 0.00 0.00 0.00 51.96 53.51 2oat s ALA 168 Cb 0.24 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 2oat s ALA 168 CO 0.30 -0.30 -0.16 0.15 0.00 0.00 0.00 175.76 175.74 2oat s LYS 169 N -1.44 1.82 -0.09 0.00 -0.14 0.33 -4.76 119.74 115.46 2oat s LYS 169 Ca 0.46 -1.36 0.01 0.00 -1.36 0.00 0.00 55.97 53.72 2oat s LYS 169 Cb -0.34 -2.03 0.02 0.00 -1.68 0.00 0.00 37.83 33.80 2oat s LYS 169 CO 0.44 0.43 -0.08 0.42 -0.76 0.00 0.00 175.35 175.79 2oat s ILE 170 N -1.63 0.95 -0.00 2.17 1.01 -0.22 -0.36 121.20 123.11 2oat s ILE 170 Ca 0.23 -0.30 -0.14 0.00 0.00 0.00 0.00 60.65 60.43 2oat s ILE 170 Cb -0.09 -0.95 -0.06 0.00 0.01 0.00 0.00 42.46 41.38 2oat s ILE 170 CO 0.13 0.34 0.40 -0.69 0.00 0.00 0.00 174.94 175.11 2oat s VAL 171 N 1.29 5.05 0.17 2.92 1.01 -0.32 -0.96 120.40 129.56 2oat s VAL 171 Ca -0.03 0.81 0.06 0.00 0.00 0.00 0.00 61.98 62.81 2oat s VAL 171 Cb -0.14 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 2oat s VAL 171 CO -0.03 0.57 -0.11 -0.36 0.00 0.00 0.00 175.10 175.17 2oat s PHE 172 N -1.09 1.44 -0.10 5.22 0.40 0.90 -0.94 117.98 123.82 2oat s PHE 172 Ca 0.24 -0.71 -0.10 0.00 -0.60 0.00 0.00 56.93 55.76 2oat s PHE 172 Cb -0.16 -0.71 -0.05 0.00 0.51 0.00 0.00 43.02 42.61 2oat s PHE 172 CO 0.13 0.17 0.22 0.00 0.70 0.00 0.00 175.22 176.44 2oat s ALA 173 N -3.21 3.80 0.32 5.36 0.00 -1.25 -1.53 121.76 125.25 2oat s ALA 173 Ca 0.19 -0.52 -0.28 0.00 0.00 0.00 0.00 51.96 51.35 2oat s ALA 173 Cb 0.02 -2.12 -0.13 0.00 0.00 0.00 0.00 23.12 20.88 2oat s ALA 173 CO 0.03 0.51 1.14 0.00 0.00 0.00 0.00 175.76 177.45 2oat n ALA 174 N 2.16 0.52 0.00 0.00 0.00 0.16 -1.23 120.51 122.12 2oat n ALA 174 Ca -0.18 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2oat n ALA 174 Cb 0.54 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.86 2oat n ALA 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oat n GLY 175 N 1.00 0.89 3.70 0.00 0.00 -1.26 -4.20 105.19 105.32 2oat n GLY 175 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 2oat n GLY 175 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2oat n ASN 176 N 0.00 1.85 -3.52 1.61 0.23 -0.37 -4.17 115.26 110.89 2oat n ASN 176 Ca 0.00 0.85 -0.19 0.00 -0.53 0.00 0.00 54.58 54.71 2oat n ASN 176 Cb 0.00 -1.52 -0.13 0.00 -2.08 0.00 0.00 39.78 36.05 2oat n ASN 176 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 2oat s PHE 177 N -1.40 -0.23 -0.08 -2.53 2.19 -1.26 -4.65 117.98 110.02 2oat s PHE 177 Ca 0.79 0.22 0.12 0.00 0.33 0.00 0.00 56.93 58.39 2oat s PHE 177 Cb -0.40 -0.38 0.19 0.00 -1.31 0.00 0.00 43.02 41.13 2oat s PHE 177 CO 0.43 -0.56 1.10 -2.67 1.83 0.00 0.00 175.22 175.35 2oat n TRP 178 N 5.32 0.00 0.00 10.12 4.27 -1.26 -4.95 117.44 130.94 2oat n TRP 178 Ca -0.06 -0.64 0.00 0.00 -3.89 0.00 0.00 57.50 52.91 2oat n TRP 178 Cb 0.49 -0.12 0.00 0.00 -1.36 0.00 0.00 31.31 30.33 2oat n TRP 178 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2oat n GLY 179 N -0.90 0.70 0.01 -1.67 0.00 -1.26 -3.87 105.19 98.19 2oat n GLY 179 Ca 0.10 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 44.05 2oat n GLY 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oat n ARG 180 N 0.00 2.23 -1.28 1.61 5.12 -1.26 -4.29 116.66 118.79 2oat n ARG 180 Ca 0.00 -1.29 -0.29 0.00 -1.93 0.00 0.00 57.85 54.34 2oat n ARG 180 Cb 0.00 -0.89 0.14 0.00 -1.16 0.00 0.00 32.46 30.55 2oat n ARG 180 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2oat s THR 181 N -0.80 2.48 0.29 0.55 -4.23 -1.26 -4.77 115.64 107.90 2oat s THR 181 Ca 0.01 0.16 -0.01 0.00 -1.18 0.00 0.00 61.69 60.67 2oat s THR 181 Cb 0.01 -2.71 0.27 0.00 1.34 0.00 0.00 72.50 71.41 2oat s THR 181 CO 0.00 -0.21 1.91 -0.07 -0.54 0.00 0.00 174.62 175.71 2oat h LEU 182 N -1.57 0.97 -0.34 4.79 4.07 -1.96 -1.85 115.31 119.42 2oat h LEU 182 Ca -0.51 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.37 2oat h LEU 182 Cb 1.30 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.82 2oat h LEU 182 CO 0.57 0.64 -0.12 0.28 -1.08 0.00 0.00 178.44 178.72 2oat h SER 183 N 1.11 0.69 -0.88 -0.43 0.02 -1.98 -2.56 113.55 109.53 2oat h SER 183 Ca 0.40 -0.39 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 2oat h SER 183 Cb 0.14 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 2oat h SER 183 CO -0.14 0.92 0.47 0.00 -1.14 0.00 0.00 176.83 176.94 2oat h ALA 184 N 0.79 1.12 0.00 3.77 0.00 -1.71 -1.95 119.26 121.29 2oat h ALA 184 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2oat h ALA 184 Cb 0.64 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2oat h ALA 184 CO 0.04 0.64 0.00 -0.84 0.00 0.00 0.00 179.25 179.09 2oat h ILE 185 N 1.23 0.00 0.00 0.00 3.07 -1.40 -3.06 117.51 117.35 2oat h ILE 185 Ca 0.31 -0.45 0.00 0.00 1.55 0.00 0.00 64.86 66.27 2oat h ILE 185 Cb 0.04 1.34 0.00 0.00 -0.27 0.00 0.00 36.82 37.93 2oat h ILE 185 CO -0.05 0.00 0.00 0.28 -1.05 0.00 0.00 178.15 177.33 2oat h SER 186 N 0.00 0.00 -0.01 2.16 0.02 -0.91 -2.67 113.55 112.14 2oat h SER 186 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2oat h SER 186 Cb 0.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 2oat h SER 186 CO 0.00 0.00 -0.47 -1.54 -1.14 0.00 0.00 176.83 173.68 2oat n SER 187 N -2.96 2.01 -4.78 3.07 3.41 -1.15 -4.86 113.62 108.35 2oat n SER 187 Ca 0.01 -1.50 -0.36 0.00 -0.26 0.00 0.00 58.87 56.75 2oat n SER 187 Cb 0.27 0.46 -0.04 0.00 -0.26 0.00 0.00 64.21 64.65 2oat n SER 187 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2oat s SER 188 N -2.48 6.66 0.00 4.04 0.15 -1.01 -4.84 113.70 116.22 2oat s SER 188 Ca 0.19 2.05 0.21 0.00 0.70 0.00 0.00 55.95 59.10 2oat s SER 188 Cb 0.18 -2.58 0.50 0.00 -1.71 0.00 0.00 66.02 62.41 2oat s SER 188 CO 0.57 -0.56 1.43 0.35 1.20 0.00 0.00 173.24 176.22 2oat n THR 189 N -0.22 0.77 -3.44 6.45 -2.24 -1.26 -4.90 114.28 109.44 2oat n THR 189 Ca 0.06 -0.88 -0.42 0.00 -2.27 0.00 0.00 64.05 60.53 2oat n THR 189 Cb 0.50 0.72 -0.10 0.00 -2.10 0.00 0.00 70.33 69.35 2oat n THR 189 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2oat s ASP 190 N -1.19 6.13 0.53 3.42 -1.08 -1.26 -4.95 116.67 118.27 2oat s ASP 190 Ca 0.41 -0.58 0.24 0.00 -0.52 0.00 0.00 52.55 52.10 2oat s ASP 190 Cb 0.22 -2.17 1.39 0.00 -1.46 0.00 0.00 42.92 40.90 2oat s ASP 190 CO 0.30 -0.39 2.03 -0.65 0.52 0.00 0.00 175.17 176.98 2oat h PRO 191 N 8.57 0.00 0.00 4.34 0.11 -1.98 0.77 132.00 143.82 2oat h PRO 191 Ca -0.29 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.79 2oat h PRO 191 Cb 1.13 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 2oat h PRO 191 CO 0.71 0.00 -0.15 1.15 -0.21 0.00 0.00 178.00 179.50 2oat h THR 192 N 0.00 0.91 0.06 -1.15 2.02 -1.93 0.14 112.91 112.96 2oat h THR 192 Ca 0.20 -0.54 -0.13 0.00 0.77 0.00 0.00 66.41 66.71 2oat h THR 192 Cb 0.82 1.31 0.01 0.00 -1.74 0.00 0.00 68.15 68.55 2oat h THR 192 CO -0.00 0.14 -0.53 0.28 0.37 0.00 0.00 175.52 175.78 2oat h SER 193 N 0.00 0.36 0.00 4.18 0.02 -1.24 -3.41 113.55 113.45 2oat h SER 193 Ca -0.00 -0.88 -0.16 0.00 -0.84 0.00 0.00 61.79 59.90 2oat h SER 193 Cb 0.30 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 2oat h SER 193 CO 0.02 1.21 -2.02 0.00 -1.14 0.00 0.00 176.83 174.90 2oat n TYR 194 N -4.30 0.00 -1.72 3.45 0.18 -1.10 -4.87 117.16 108.80 2oat n TYR 194 Ca -0.12 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.24 2oat n TYR 194 Cb 0.67 -0.65 -0.03 0.00 -0.38 0.00 0.00 39.34 38.96 2oat n TYR 194 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2oat s ASP 195 N -4.65 6.38 0.00 9.48 -1.08 0.45 -1.45 116.67 125.81 2oat s ASP 195 Ca -0.08 2.85 0.00 0.00 -0.52 0.00 0.00 52.55 54.81 2oat s ASP 195 Cb 0.08 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.95 2oat s ASP 195 CO 0.74 -0.98 0.00 0.61 0.52 0.00 0.00 175.17 176.05 2oat n GLY 196 N 4.05 0.77 0.11 2.66 0.00 -1.26 -4.92 105.19 106.59 2oat n GLY 196 Ca 0.16 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.19 2oat n GLY 196 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2oat n PHE 197 N -2.28 0.06 -2.12 1.61 3.72 -0.53 -5.05 117.46 112.88 2oat n PHE 197 Ca 0.00 -0.34 -0.27 0.00 -0.05 0.00 0.00 57.45 56.79 2oat n PHE 197 Cb 0.00 -0.03 0.18 0.00 -0.94 0.00 0.00 39.48 38.69 2oat n PHE 197 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2oat n GLY 198 N -0.18 -0.89 3.75 1.37 0.00 -1.26 -4.84 105.19 103.15 2oat n GLY 198 Ca 0.02 -1.80 -0.34 0.00 0.00 0.00 0.00 46.02 43.90 2oat n GLY 198 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2oat s PRO 199 N -5.67 2.57 0.21 1.61 0.04 -1.26 -5.17 135.00 127.33 2oat s PRO 199 Ca 0.72 1.56 0.02 0.00 0.04 0.00 0.00 61.00 63.35 2oat s PRO 199 Cb -0.02 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 2oat s PRO 199 CO 0.50 -1.46 0.36 -0.06 0.04 0.00 0.00 177.00 176.37 2oat s PHE 200 N -2.14 3.48 0.05 0.56 0.08 -1.26 -5.05 117.98 113.70 2oat s PHE 200 Ca 0.71 0.15 -0.30 0.00 0.12 0.00 0.00 56.93 57.60 2oat s PHE 200 Cb -0.24 -1.70 -0.08 0.00 -0.57 0.00 0.00 43.02 40.42 2oat s PHE 200 CO 0.42 0.43 1.69 1.41 -0.10 0.00 0.00 175.22 179.07 2oat s MET 201 N -3.57 4.19 0.81 0.44 -2.45 -1.26 -5.00 119.30 112.46 2oat s MET 201 Ca 0.36 2.35 -0.11 0.00 -1.25 0.00 0.00 55.69 57.04 2oat s MET 201 Cb -0.10 -3.71 0.08 0.00 1.25 0.00 0.00 34.83 32.34 2oat s MET 201 CO 0.29 -0.78 1.09 -1.25 1.05 0.00 0.00 175.02 175.42 2oat s PRO 202 N 3.03 1.96 0.00 4.11 0.04 -1.26 -4.26 135.00 138.63 2oat s PRO 202 Ca 0.76 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.74 2oat s PRO 202 Cb -0.39 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.27 2oat s PRO 202 CO 0.33 -1.79 0.00 0.41 0.04 0.00 0.00 177.00 175.99 2oat n GLY 203 N -1.40 0.76 3.37 0.56 0.00 -1.26 -5.02 105.19 102.20 2oat n GLY 203 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 2oat n GLY 203 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2oat s PHE 204 N -2.10 2.96 0.12 1.61 0.08 -1.26 -1.06 117.98 118.33 2oat s PHE 204 Ca 0.00 -0.73 0.06 0.00 0.12 0.00 0.00 56.93 56.37 2oat s PHE 204 Cb 0.00 -2.05 -0.04 0.00 -0.57 0.00 0.00 43.02 40.36 2oat s PHE 204 CO 0.00 -0.39 0.00 -0.51 -0.10 0.00 0.00 175.22 174.22 2oat s ASP 205 N 1.12 4.94 -0.06 1.36 1.01 -0.13 -4.96 116.67 119.95 2oat s ASP 205 Ca 0.02 -0.25 0.05 0.00 0.71 0.00 0.00 52.55 53.08 2oat s ASP 205 Cb -0.15 -1.14 -0.00 0.00 1.01 0.00 0.00 42.92 42.64 2oat s ASP 205 CO -0.00 0.14 -0.21 -0.63 0.21 0.00 0.00 175.17 174.69 2oat s ILE 206 N -1.44 1.71 0.19 0.77 1.01 -1.26 -0.07 121.20 122.11 2oat s ILE 206 Ca 0.26 -0.87 0.06 0.00 0.00 0.00 0.00 60.65 60.11 2oat s ILE 206 Cb -0.11 -1.47 -0.05 0.00 0.01 0.00 0.00 42.46 40.85 2oat s ILE 206 CO 0.18 0.48 -0.11 0.27 0.00 0.00 0.00 174.94 175.77 2oat s ILE 207 N 0.03 1.43 0.63 2.92 -4.36 -0.58 -4.92 121.20 116.35 2oat s ILE 207 Ca -0.06 -2.13 -0.19 0.00 -0.26 0.00 0.00 60.65 58.02 2oat s ILE 207 Cb -0.13 -2.03 -0.02 0.00 1.25 0.00 0.00 42.46 41.53 2oat s ILE 207 CO 0.04 -0.60 1.29 -2.84 0.24 0.00 0.00 174.94 173.06 2oat s PRO 208 N -3.72 2.67 0.83 0.37 0.02 -1.26 0.38 135.00 134.29 2oat s PRO 208 Ca 0.21 2.06 -0.12 0.00 0.02 0.00 0.00 61.00 63.18 2oat s PRO 208 Cb 0.02 -1.90 0.09 0.00 0.02 0.00 0.00 34.50 32.72 2oat s PRO 208 CO 0.05 -1.51 1.12 -0.47 -0.33 0.00 0.00 177.00 175.86 2oat s TYR 209 N -1.40 2.77 -1.57 6.54 5.04 -1.26 -4.05 117.35 123.41 2oat s TYR 209 Ca 0.81 1.01 -0.10 0.00 -2.44 0.00 0.00 57.07 56.35 2oat s TYR 209 Cb -0.37 -3.24 0.08 0.00 0.35 0.00 0.00 41.96 38.78 2oat s TYR 209 CO 0.40 -1.93 0.58 -1.71 -1.34 0.00 0.00 175.55 171.55 2oat n ASN 210 N -3.50 -1.80 -3.45 4.32 5.15 -1.26 -4.92 115.26 109.79 2oat n ASN 210 Ca 0.07 -1.03 -0.25 0.00 -0.60 0.00 0.00 54.58 52.77 2oat n ASN 210 Cb 0.58 -2.79 -0.12 0.00 -0.53 0.00 0.00 39.78 36.92 2oat n ASN 210 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2oat s ASP 211 N -3.81 2.57 0.10 1.20 -1.08 -1.26 -4.88 116.67 109.51 2oat s ASP 211 Ca 0.39 -1.58 -0.18 0.00 -0.52 0.00 0.00 52.55 50.66 2oat s ASP 211 Cb -0.21 -0.05 -0.06 0.00 -1.46 0.00 0.00 42.92 41.14 2oat s ASP 211 CO 0.92 -0.35 1.60 -0.07 0.52 0.00 0.00 175.17 177.78 2oat h LEU 212 N 7.62 0.44 -1.20 -1.34 4.07 -1.92 -2.23 115.31 120.75 2oat h LEU 212 Ca -0.05 -0.23 0.07 0.00 0.08 0.00 0.00 57.88 57.75 2oat h LEU 212 Cb 1.01 -0.12 -0.06 0.00 1.08 0.00 0.00 40.66 42.58 2oat h LEU 212 CO 0.31 0.56 0.56 -0.65 -1.08 0.00 0.00 178.44 178.15 2oat h PRO 213 N 0.30 0.92 -0.29 1.13 0.11 -1.99 0.12 132.00 132.32 2oat h PRO 213 Ca 0.09 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 66.00 2oat h PRO 213 Cb 0.29 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 2oat h PRO 213 CO 0.00 0.61 -0.40 0.00 -0.21 0.00 0.00 178.00 178.00 2oat h ALA 214 N 1.54 0.76 -0.45 -0.75 0.00 -1.91 -0.78 119.26 117.67 2oat h ALA 214 Ca 0.38 -0.45 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2oat h ALA 214 Cb 0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2oat h ALA 214 CO -0.14 0.66 -0.18 1.25 0.00 0.00 0.00 179.25 180.83 2oat h LEU 215 N 0.56 0.94 -0.79 0.00 5.85 -0.71 -1.79 115.31 119.38 2oat h LEU 215 Ca 0.05 -0.39 0.03 0.00 0.84 0.00 0.00 57.88 58.41 2oat h LEU 215 Cb 0.93 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.65 2oat h LEU 215 CO 0.08 1.12 0.50 -0.08 -0.34 0.00 0.00 178.44 179.72 2oat h GLU 216 N 0.76 0.94 -0.38 1.25 4.81 -0.58 -0.99 114.58 120.38 2oat h GLU 216 Ca 0.10 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 2oat h GLU 216 Cb 0.75 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 2oat h GLU 216 CO 0.06 0.62 0.17 -0.09 -0.73 0.00 0.00 179.01 179.04 2oat h ARG 217 N 0.97 0.56 -0.32 1.92 2.43 -1.05 -3.10 114.38 115.80 2oat h ARG 217 Ca 0.32 -0.09 -0.08 0.00 -0.81 0.00 0.00 59.98 59.31 2oat h ARG 217 Cb 0.03 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 2oat h ARG 217 CO -0.12 0.52 -0.14 0.00 -1.51 0.00 0.00 179.97 178.72 2oat h ALA 218 N 1.01 1.16 0.00 2.80 0.00 -0.85 -2.65 119.26 120.74 2oat h ALA 218 Ca 0.13 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2oat h ALA 218 Cb 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2oat h ALA 218 CO -0.01 0.53 0.00 1.28 0.00 0.00 0.00 179.25 181.05 2oat n LEU 219 N -4.18 0.00 0.21 0.00 4.77 -0.42 -2.70 117.00 114.68 2oat n LEU 219 Ca 0.01 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.08 2oat n LEU 219 Cb 0.35 0.00 0.36 0.00 -2.33 0.00 0.00 43.42 41.80 2oat n LEU 219 CO 0.41 0.00 0.75 1.56 -1.33 0.00 0.00 177.39 178.78 2oat h GLN 220 N 0.00 0.00 -6.27 3.23 1.08 -1.51 -3.43 115.11 108.22 2oat h GLN 220 Ca 0.00 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.63 2oat h GLN 220 Cb 0.00 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.37 2oat h GLN 220 CO 0.00 0.25 0.87 0.34 -0.95 0.00 0.00 178.83 179.34 2oat s ASP 221 N -6.22 6.90 0.21 1.46 -1.08 -1.10 -4.89 116.67 111.94 2oat s ASP 221 Ca 0.02 1.20 0.20 0.00 -0.52 0.00 0.00 52.55 53.44 2oat s ASP 221 Cb 0.09 -2.54 0.89 0.00 -1.46 0.00 0.00 42.92 39.90 2oat s ASP 221 CO 0.66 -0.89 1.60 -0.81 0.52 0.00 0.00 175.17 176.25 2oat n PRO 222 N 6.87 0.13 0.00 4.34 -0.04 -1.26 -1.76 135.00 143.28 2oat n PRO 222 Ca 0.13 0.46 0.14 0.00 -0.04 0.00 0.00 63.50 64.18 2oat n PRO 222 Cb 0.47 -1.80 0.73 0.00 -0.04 0.00 0.00 33.50 32.85 2oat n PRO 222 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2oat n ASN 223 N -2.06 0.00 -4.69 3.54 3.02 -1.26 -4.79 115.26 109.01 2oat n ASN 223 Ca 0.01 -0.25 -0.42 0.00 -0.03 0.00 0.00 54.58 53.88 2oat n ASN 223 Cb 0.15 -0.23 -0.03 0.00 -0.61 0.00 0.00 39.78 39.06 2oat n ASN 223 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2oat s VAL 224 N -2.47 4.19 -0.16 2.41 1.01 -0.72 -0.51 120.40 124.15 2oat s VAL 224 Ca 0.29 1.53 0.17 0.00 0.00 0.00 0.00 61.98 63.98 2oat s VAL 224 Cb 0.19 -3.98 -0.25 0.00 0.00 0.00 0.00 36.38 32.34 2oat s VAL 224 CO 0.41 0.00 0.23 0.00 0.00 0.00 0.00 175.10 175.74 2oat n ALA 225 N 5.17 1.62 -3.58 5.51 0.00 0.51 -4.77 120.51 124.97 2oat n ALA 225 Ca 0.11 -1.15 -0.10 0.00 0.00 0.00 0.00 53.44 52.30 2oat n ALA 225 Cb 0.46 -0.36 -0.02 0.00 0.00 0.00 0.00 19.45 19.53 2oat n ALA 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oat s ALA 226 N -2.61 -1.49 -0.15 0.00 0.00 -1.22 -1.05 121.76 115.25 2oat s ALA 226 Ca -0.09 0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.13 2oat s ALA 226 Cb 0.07 0.84 0.02 0.00 0.00 0.00 0.00 23.12 24.05 2oat s ALA 226 CO 0.83 -0.86 -0.18 0.12 0.00 0.00 0.00 175.76 175.68 2oat s PHE 227 N -3.76 2.42 -0.15 0.00 5.36 0.07 -1.17 117.98 120.75 2oat s PHE 227 Ca 0.05 -1.33 -0.06 0.00 -0.96 0.00 0.00 56.93 54.63 2oat s PHE 227 Cb -0.03 -1.71 -0.04 0.00 -0.34 0.00 0.00 43.02 40.91 2oat s PHE 227 CO -0.06 -0.67 0.04 1.41 -1.46 0.00 0.00 175.22 174.48 2oat s MET 228 N 1.22 3.66 -0.05 10.12 -2.45 -0.11 -0.98 119.30 130.71 2oat s MET 228 Ca 0.01 -0.36 -0.22 0.00 -1.25 0.00 0.00 55.69 53.88 2oat s MET 228 Cb -0.14 -3.08 0.05 0.00 1.25 0.00 0.00 34.83 32.91 2oat s MET 228 CO -0.08 0.42 0.48 0.54 1.05 0.00 0.00 175.02 177.43 2oat s VAL 229 N -0.06 0.03 -0.04 10.11 0.11 0.02 -3.95 120.40 126.62 2oat s VAL 229 Ca 0.06 -0.22 -0.16 0.00 -2.93 0.00 0.00 61.98 58.72 2oat s VAL 229 Cb -0.12 -0.78 -0.05 0.00 -1.53 0.00 0.00 36.38 33.89 2oat s VAL 229 CO 0.01 -0.12 0.44 -1.61 -3.33 0.00 0.00 175.10 170.49 2oat s GLU 230 N -1.05 4.10 0.49 1.54 2.02 -1.26 -0.88 118.70 123.67 2oat s GLU 230 Ca -0.11 0.44 0.16 0.00 0.02 0.00 0.00 54.97 55.49 2oat s GLU 230 Cb -0.03 -3.30 1.18 0.00 0.10 0.00 0.00 34.13 32.08 2oat s GLU 230 CO 0.06 0.49 2.08 -1.35 0.02 0.00 0.00 175.26 176.56 2oat h PRO 231 N 5.44 0.00 -3.42 0.39 0.11 -1.96 -3.37 132.00 129.18 2oat h PRO 231 Ca -0.47 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.30 2oat h PRO 231 Cb 1.20 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 31.95 2oat h PRO 231 CO 0.67 0.09 -0.74 0.42 -0.21 0.00 0.00 178.00 178.24 2oat s ILE 232 N -4.80 -0.08 -0.14 4.15 1.01 -1.26 -4.45 121.20 115.62 2oat s ILE 232 Ca -0.04 0.32 -0.29 0.00 0.00 0.00 0.00 60.65 60.64 2oat s ILE 232 Cb 0.16 -0.12 -0.01 0.00 0.01 0.00 0.00 42.46 42.49 2oat s ILE 232 CO 0.67 0.14 1.15 -1.10 0.00 0.00 0.00 174.94 175.80 2oat s GLN 233 N 1.65 4.30 -0.02 2.79 -0.21 -0.40 -4.84 119.66 122.94 2oat s GLN 233 Ca -0.02 1.54 -0.00 0.00 0.02 0.00 0.00 55.36 56.90 2oat s GLN 233 Cb -0.12 -3.64 -0.00 0.00 1.00 0.00 0.00 33.01 30.24 2oat s GLN 233 CO -0.03 -0.55 0.08 0.78 -2.12 0.00 0.00 175.29 173.44 2oat h GLY 234 N 8.96 -0.02 2.00 3.09 0.00 -1.91 -0.87 103.07 114.32 2oat h GLY 234 Ca -0.27 0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 2oat h GLY 234 CO 0.93 -0.01 -0.01 0.83 0.00 0.00 0.00 176.54 178.28 2oat h GLU 235 N -0.18 0.00 0.00 4.80 4.39 -1.92 0.20 114.58 121.87 2oat h GLU 235 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2oat h GLU 235 Cb 0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 2oat h GLU 235 CO 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 179.01 177.87 2oat n ALA 236 N -2.22 1.71 0.00 3.43 0.00 -1.26 -4.80 120.51 117.37 2oat n ALA 236 Ca -0.03 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2oat n ALA 236 Cb 0.10 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.19 2oat n ALA 236 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oat n GLY 237 N 0.11 1.65 3.55 0.00 0.00 0.01 -4.77 105.19 105.74 2oat n GLY 237 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 2oat n GLY 237 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2oat n VAL 238 N -0.01 -6.85 -2.95 1.61 0.31 -0.45 -4.85 118.33 105.13 2oat n VAL 238 Ca 0.00 -1.08 -0.42 0.00 -0.01 0.00 0.00 64.34 62.83 2oat n VAL 238 Cb 0.00 -5.00 -0.05 0.00 -0.91 0.00 0.00 33.84 27.88 2oat n VAL 238 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2oat s VAL 239 N -3.45 4.74 -0.29 2.52 1.01 -0.52 -4.66 120.40 119.75 2oat s VAL 239 Ca 0.46 0.91 -0.12 0.00 0.00 0.00 0.00 61.98 63.24 2oat s VAL 239 Cb -0.13 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 2oat s VAL 239 CO 0.82 -0.42 0.21 -0.69 0.00 0.00 0.00 175.10 175.03 2oat s VAL 240 N 3.09 5.29 0.85 2.92 1.01 -1.26 -1.27 120.40 131.03 2oat s VAL 240 Ca 0.31 0.15 -0.12 0.00 0.00 0.00 0.00 61.98 62.33 2oat s VAL 240 Cb -0.13 -3.57 0.10 0.00 0.00 0.00 0.00 36.38 32.78 2oat s VAL 240 CO 0.16 0.20 1.10 -2.16 0.00 0.00 0.00 175.10 174.40 2oat s PRO 241 N 1.78 1.63 0.63 2.72 0.04 -1.26 -5.00 135.00 135.53 2oat s PRO 241 Ca 0.08 0.73 -0.15 0.00 0.04 0.00 0.00 61.00 61.69 2oat s PRO 241 Cb -0.16 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 2oat s PRO 241 CO 0.11 -1.96 1.08 -0.51 0.04 0.00 0.00 177.00 175.76 2oat s ASP 242 N -3.65 5.48 0.15 6.66 1.01 -1.26 -4.92 116.67 120.15 2oat s ASP 242 Ca 0.62 1.88 -0.34 0.00 0.71 0.00 0.00 52.55 55.42 2oat s ASP 242 Cb -0.16 -2.54 -0.15 0.00 1.01 0.00 0.00 42.92 41.08 2oat s ASP 242 CO 0.56 -1.37 1.36 -2.65 0.21 0.00 0.00 175.17 173.27 2oat n PRO 243 N -2.26 1.53 0.00 8.23 -0.02 -1.26 -1.34 135.00 139.88 2oat n PRO 243 Ca 0.09 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2oat n PRO 243 Cb 0.53 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 2oat n PRO 243 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oat n GLY 244 N 2.53 1.49 0.15 -1.23 0.00 -1.26 -4.94 105.19 101.93 2oat n GLY 244 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 2oat n GLY 244 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2oat h TYR 245 N 0.00 0.41 -0.72 1.61 3.20 -1.57 -0.94 116.97 118.97 2oat h TYR 245 Ca 0.00 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 2oat h TYR 245 Cb 0.00 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.10 2oat h TYR 245 CO 0.00 0.28 0.25 -0.07 -1.64 0.00 0.00 178.16 176.98 2oat h LEU 246 N 0.41 1.02 -0.75 2.82 3.38 -1.92 0.41 115.31 120.68 2oat h LEU 246 Ca 0.11 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 2oat h LEU 246 Cb -0.01 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 2oat h LEU 246 CO -0.02 0.94 0.31 -0.03 0.09 0.00 0.00 178.44 179.73 2oat h MET 247 N 1.05 1.12 -0.67 1.13 4.05 -1.84 -1.73 114.93 118.04 2oat h MET 247 Ca 0.23 -0.20 -0.06 0.00 -0.28 0.00 0.00 59.70 59.40 2oat h MET 247 Cb 0.27 -0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 30.85 2oat h MET 247 CO -0.01 0.91 0.18 0.78 0.23 0.00 0.00 176.91 179.00 2oat h GLY 248 N 1.08 1.13 0.86 1.39 0.00 -0.66 -0.32 103.07 106.54 2oat h GLY 248 Ca 0.25 -0.67 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 2oat h GLY 248 CO -0.02 0.63 0.05 -2.08 0.00 0.00 0.00 176.54 175.12 2oat h VAL 249 N 1.00 1.19 -0.54 4.60 2.07 -0.72 -1.22 116.25 122.65 2oat h VAL 249 Ca 0.22 -0.62 0.03 0.00 0.82 0.00 0.00 66.70 67.15 2oat h VAL 249 Cb 0.32 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 2oat h VAL 249 CO -0.00 0.19 0.31 -0.09 0.02 0.00 0.00 177.57 178.00 2oat h ARG 250 N 0.13 0.60 0.01 1.57 9.65 -1.13 -0.27 114.38 124.95 2oat h ARG 250 Ca 0.06 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 58.90 2oat h ARG 250 Cb 0.25 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 2oat h ARG 250 CO -0.00 0.40 -0.01 1.49 2.80 0.00 0.00 179.97 184.65 2oat h GLU 251 N 0.62 -0.02 -0.42 0.20 4.81 -0.91 -1.82 114.58 117.04 2oat h GLU 251 Ca 0.22 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.42 2oat h GLU 251 Cb 0.04 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 2oat h GLU 251 CO -0.11 -0.01 0.15 -0.07 -0.73 0.00 0.00 179.01 178.24 2oat h LEU 252 N -0.02 0.61 -0.46 1.64 -0.00 -1.09 -0.35 115.31 115.63 2oat h LEU 252 Ca -0.00 -0.19 -0.01 0.00 -0.00 0.00 0.00 57.88 57.68 2oat h LEU 252 Cb 0.02 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 40.50 2oat h LEU 252 CO 0.00 0.64 0.26 0.00 -0.00 0.00 0.00 178.44 179.34 2oat h THR 254 N 0.61 1.09 -0.92 0.00 2.02 -1.19 0.17 112.91 114.69 2oat h THR 254 Ca 0.16 -0.23 0.13 0.00 0.77 0.00 0.00 66.41 67.24 2oat h THR 254 Cb 0.03 0.88 -0.09 0.00 -1.74 0.00 0.00 68.15 67.23 2oat h THR 254 CO -0.03 0.09 0.54 -0.09 0.37 0.00 0.00 175.52 176.40 2oat h ARG 255 N 0.24 0.81 -0.60 6.66 2.43 -0.85 -2.48 114.38 120.59 2oat h ARG 255 Ca 0.07 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2oat h ARG 255 Cb 0.04 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 2oat h ARG 255 CO -0.01 0.54 0.00 0.72 -1.51 0.00 0.00 179.97 179.70 2oat n HIS 256 N -4.72 1.53 -3.57 2.20 8.25 -0.78 -4.97 115.22 113.16 2oat n HIS 256 Ca 0.17 -0.65 -0.20 0.00 -0.26 0.00 0.00 57.72 56.79 2oat n HIS 256 Cb 0.37 -0.29 0.05 0.00 1.12 0.00 0.00 29.99 31.24 2oat n HIS 256 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 2oat n GLN 257 N 0.91 -4.70 -4.93 -0.41 7.27 -0.71 -5.00 117.38 109.81 2oat n GLN 257 Ca 0.25 0.69 -0.27 0.00 0.07 0.00 0.00 57.00 57.75 2oat n GLN 257 Cb 0.93 -5.34 -0.16 0.00 2.41 0.00 0.00 30.24 28.08 2oat n GLN 257 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2oat s VAL 258 N -3.54 1.57 0.22 1.69 1.01 -0.03 -4.92 120.40 116.40 2oat s VAL 258 Ca 0.10 -0.79 -0.30 0.00 0.00 0.00 0.00 61.98 60.99 2oat s VAL 258 Cb -0.02 -1.34 -0.09 0.00 0.00 0.00 0.00 36.38 34.93 2oat s VAL 258 CO 0.79 0.45 1.14 -0.76 0.00 0.00 0.00 175.10 176.71 2oat s LEU 259 N 0.01 4.50 -0.41 3.92 1.43 -0.21 -4.30 118.68 123.62 2oat s LEU 259 Ca -0.04 2.23 -0.17 0.00 -1.03 0.00 0.00 54.13 55.11 2oat s LEU 259 Cb -0.12 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.50 2oat s LEU 259 CO 0.03 -0.25 0.43 0.12 0.23 0.00 0.00 176.35 176.90 2oat s PHE 260 N -0.57 3.18 -0.30 0.29 5.36 -1.26 -0.75 117.98 123.93 2oat s PHE 260 Ca 0.49 -0.34 -0.09 0.00 -0.96 0.00 0.00 56.93 56.02 2oat s PHE 260 Cb -0.32 -2.87 -0.01 0.00 -0.34 0.00 0.00 43.02 39.49 2oat s PHE 260 CO 0.38 -0.67 0.13 0.42 -1.46 0.00 0.00 175.22 174.02 2oat s ILE 261 N 2.12 4.51 -0.32 3.12 1.01 -0.15 -0.26 121.20 131.23 2oat s ILE 261 Ca 0.12 -0.39 -0.12 0.00 0.00 0.00 0.00 60.65 60.26 2oat s ILE 261 Cb -0.17 -3.27 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 2oat s ILE 261 CO 0.13 0.12 0.23 0.00 0.00 0.00 0.00 174.94 175.42 2oat s ALA 262 N 1.61 3.51 -0.63 9.38 0.00 -0.26 -0.80 121.76 134.56 2oat s ALA 262 Ca 0.05 -1.30 -0.24 0.00 0.00 0.00 0.00 51.96 50.47 2oat s ALA 262 Cb -0.17 -2.61 0.06 0.00 0.00 0.00 0.00 23.12 20.40 2oat s ALA 262 CO 0.06 -0.86 0.99 0.34 0.00 0.00 0.00 175.76 176.29 2oat s ASP 263 N 1.73 6.23 -0.30 0.00 -1.08 -0.06 -1.79 116.67 121.39 2oat s ASP 263 Ca 0.06 -0.71 0.10 0.00 -0.52 0.00 0.00 52.55 51.49 2oat s ASP 263 Cb -0.17 -2.44 0.62 0.00 -1.46 0.00 0.00 42.92 39.47 2oat s ASP 263 CO 0.11 -1.41 1.65 -0.62 0.52 0.00 0.00 175.17 175.41 2oat n GLU 264 N 7.80 2.78 -0.06 4.34 -0.58 -0.37 -4.27 120.64 130.28 2oat n GLU 264 Ca -0.01 -3.06 0.01 0.00 -0.42 0.00 0.00 57.16 53.68 2oat n GLU 264 Cb 0.47 -2.02 0.31 0.00 -0.57 0.00 0.00 31.44 29.63 2oat n GLU 264 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2oat h ILE 265 N 1.74 1.17 0.00 -3.67 2.04 -1.82 0.13 117.51 117.11 2oat h ILE 265 Ca 0.26 -0.50 -0.28 0.00 1.00 0.00 0.00 64.86 65.34 2oat h ILE 265 Cb 2.04 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 38.65 2oat h ILE 265 CO 0.59 0.20 -2.05 1.67 0.00 0.00 0.00 178.15 178.55 2oat n GLN 266 N -4.37 0.69 0.21 2.37 7.27 -1.26 -4.18 117.38 118.10 2oat n GLN 266 Ca 0.04 0.09 0.11 0.00 0.07 0.00 0.00 57.00 57.30 2oat n GLN 266 Cb 0.14 -1.37 0.15 0.00 2.41 0.00 0.00 30.24 31.56 2oat n GLN 266 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 2oat h THR 267 N 0.00 0.08 -2.55 1.69 1.35 -1.82 -3.46 112.91 108.20 2oat h THR 267 Ca -0.41 -1.11 -0.17 0.00 -0.55 0.00 0.00 66.41 64.17 2oat h THR 267 Cb 1.70 2.02 0.07 0.00 -1.73 0.00 0.00 68.15 70.21 2oat h THR 267 CO -0.05 0.04 0.12 0.61 -0.25 0.00 0.00 175.52 176.00 2oat n GLY 268 N 1.11 -1.80 3.72 5.82 0.00 0.47 -3.74 105.19 110.77 2oat n GLY 268 Ca 0.04 -1.60 -0.33 0.00 0.00 0.00 0.00 46.02 44.13 2oat n GLY 268 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2oat n LEU 269 N 0.00 -2.57 0.00 0.99 4.77 0.03 -2.98 117.00 117.24 2oat n LEU 269 Ca 0.07 -1.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.00 2oat n LEU 269 Cb 0.24 -2.30 0.00 0.00 -2.33 0.00 0.00 43.42 39.03 2oat n LEU 269 CO 0.17 0.50 0.00 0.00 -1.33 0.00 0.00 177.39 176.73 2oat n ALA 270 N -4.24 0.00 -0.33 -1.18 0.00 -0.52 -4.88 120.51 109.36 2oat n ALA 270 Ca -0.09 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.40 2oat n ALA 270 Cb 0.59 -0.27 0.21 0.00 0.00 0.00 0.00 19.45 19.98 2oat n ALA 270 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2oat h ARG 271 N 1.24 0.84 -0.12 0.00 9.65 -1.70 -1.65 114.38 122.64 2oat h ARG 271 Ca 0.00 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 2oat h ARG 271 Cb 0.00 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 28.39 2oat h ARG 271 CO 0.00 0.55 0.00 0.25 2.80 0.00 0.00 179.97 183.57 2oat n THR 272 N -4.70 0.14 0.00 0.20 -2.24 -1.25 -1.14 114.28 105.28 2oat n THR 272 Ca 0.17 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2oat n THR 272 Cb 0.34 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 2oat n THR 272 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2oat n GLY 273 N 1.32 1.17 3.36 3.38 0.00 -0.62 -2.52 105.19 111.28 2oat n GLY 273 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 2oat n GLY 273 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2oat s ARG 274 N -0.59 1.20 0.22 1.61 1.81 -1.26 -4.46 118.95 117.48 2oat s ARG 274 Ca 0.00 -1.20 -0.08 0.00 -1.72 0.00 0.00 55.73 52.73 2oat s ARG 274 Cb 0.00 0.38 0.25 0.00 -0.45 0.00 0.00 34.95 35.14 2oat s ARG 274 CO 0.00 -0.45 1.83 -1.49 -0.68 0.00 0.00 175.30 174.51 2oat h TRP 275 N 2.51 0.81 -4.03 -0.53 4.06 -1.95 -1.37 115.95 115.45 2oat h TRP 275 Ca -0.31 0.03 -0.39 0.00 2.06 0.00 0.00 58.89 60.27 2oat h TRP 275 Cb 1.23 -0.26 -0.27 0.00 -1.00 0.00 0.00 29.16 28.86 2oat h TRP 275 CO 0.39 0.41 -0.78 -0.51 -3.56 0.00 0.00 178.44 174.40 2oat s LEU 276 N -10.22 2.06 0.54 -4.49 1.43 -1.26 -0.79 118.68 105.95 2oat s LEU 276 Ca -0.13 -0.24 0.23 0.00 -1.03 0.00 0.00 54.13 52.96 2oat s LEU 276 Cb 0.16 -0.46 1.49 0.00 0.03 0.00 0.00 46.19 47.41 2oat s LEU 276 CO 0.77 0.07 2.17 0.00 0.23 0.00 0.00 176.35 179.59 2oat h ALA 277 N 5.64 1.68 0.00 4.21 0.00 -1.80 0.59 119.26 129.57 2oat h ALA 277 Ca -0.32 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2oat h ALA 277 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2oat h ALA 277 CO 0.48 0.05 0.00 -0.39 0.00 0.00 0.00 179.25 179.39 2oat h VAL 278 N 0.00 0.00 0.00 0.00 -1.51 -1.95 -2.56 116.25 110.23 2oat h VAL 278 Ca -0.00 -0.20 -0.02 0.00 -1.23 0.00 0.00 66.70 65.26 2oat h VAL 278 Cb 0.08 0.97 -0.00 0.00 -2.13 0.00 0.00 31.29 30.21 2oat h VAL 278 CO 0.00 0.00 -0.08 0.44 -1.23 0.00 0.00 177.57 176.71 2oat h ASP 279 N 0.00 0.00 -0.52 4.19 3.32 -1.14 -1.95 116.42 120.33 2oat h ASP 279 Ca 0.00 0.00 0.15 0.00 0.02 0.00 0.00 57.03 57.20 2oat h ASP 279 Cb 0.24 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 2oat h ASP 279 CO 0.00 0.08 0.41 1.88 -1.72 0.00 0.00 179.24 179.89 2oat h TYR 280 N 0.00 0.00 -0.14 4.55 0.05 -1.63 -1.43 116.97 118.37 2oat h TYR 280 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2oat h TYR 280 Cb 0.15 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.89 2oat h TYR 280 CO 0.00 0.00 0.00 0.39 -1.05 0.00 0.00 178.16 177.50 2oat n GLU 281 N -4.20 2.55 -3.73 4.88 1.02 -0.77 -5.00 120.64 115.39 2oat n GLU 281 Ca 0.10 -1.65 -0.22 0.00 -0.02 0.00 0.00 57.16 55.37 2oat n GLU 281 Cb 0.62 -1.12 0.03 0.00 -0.02 0.00 0.00 31.44 30.95 2oat n GLU 281 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2oat n ASN 282 N 0.02 -1.22 -4.52 1.62 2.85 -0.54 -4.86 115.26 108.61 2oat n ASN 282 Ca 0.05 -0.83 -0.32 0.00 -0.11 0.00 0.00 54.58 53.36 2oat n ASN 282 Cb 0.31 -3.97 -0.12 0.00 1.24 0.00 0.00 39.78 37.24 2oat n ASN 282 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2oat s VAL 283 N -3.68 3.28 -0.44 3.44 0.11 -1.16 -5.04 120.40 116.90 2oat s VAL 283 Ca 0.03 -0.78 -0.08 0.00 -2.93 0.00 0.00 61.98 58.22 2oat s VAL 283 Cb -0.01 -2.35 0.11 0.00 -1.53 0.00 0.00 36.38 32.59 2oat s VAL 283 CO 0.82 0.49 0.29 -0.60 -3.33 0.00 0.00 175.10 172.77 2oat s ARG 284 N -1.06 2.42 0.93 1.54 3.52 -1.26 -4.65 118.95 120.39 2oat s ARG 284 Ca 0.14 -1.69 -0.11 0.00 -0.13 0.00 0.00 55.73 53.94 2oat s ARG 284 Cb -0.11 -3.82 0.15 0.00 -1.56 0.00 0.00 34.95 29.62 2oat s ARG 284 CO 0.03 -1.10 1.11 -2.14 -0.81 0.00 0.00 175.30 172.39 2oat s PRO 285 N 1.34 0.95 0.15 5.12 0.02 -1.26 -4.93 135.00 136.38 2oat s PRO 285 Ca 0.05 1.24 -0.01 0.00 0.02 0.00 0.00 61.00 62.30 2oat s PRO 285 Cb -0.25 -1.74 -0.05 0.00 0.02 0.00 0.00 34.50 32.48 2oat s PRO 285 CO -0.01 -2.58 1.34 -0.44 -0.33 0.00 0.00 177.00 174.99 2oat h ASP 286 N -1.81 0.39 -3.54 2.53 3.32 -1.00 -3.44 116.42 112.87 2oat h ASP 286 Ca -0.47 -0.31 -0.38 0.00 0.02 0.00 0.00 57.03 55.88 2oat h ASP 286 Cb 1.27 -0.12 -0.33 0.00 0.22 0.00 0.00 39.33 40.37 2oat h ASP 286 CO 0.47 1.12 -0.76 -0.63 -1.72 0.00 0.00 179.24 177.71 2oat s ILE 287 N -3.23 0.41 -0.08 0.35 1.01 -0.73 -4.39 121.20 114.55 2oat s ILE 287 Ca -0.04 -0.08 0.04 0.00 0.00 0.00 0.00 60.65 60.57 2oat s ILE 287 Cb 0.09 -0.44 -0.02 0.00 0.01 0.00 0.00 42.46 42.11 2oat s ILE 287 CO 0.85 0.18 -0.19 -0.69 0.00 0.00 0.00 174.94 175.10 2oat s VAL 288 N 0.78 2.62 -0.13 2.92 1.01 -0.41 -1.10 120.40 126.09 2oat s VAL 288 Ca -0.09 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.00 2oat s VAL 288 Cb -0.13 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 2oat s VAL 288 CO -0.00 0.56 -0.03 -0.76 0.00 0.00 0.00 175.10 174.87 2oat s LEU 289 N -0.15 3.35 0.08 3.92 1.43 -0.74 -1.24 118.68 125.33 2oat s LEU 289 Ca -0.02 -0.04 0.06 0.00 -1.03 0.00 0.00 54.13 53.09 2oat s LEU 289 Cb -0.14 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.26 2oat s LEU 289 CO 0.04 0.23 -0.16 -0.76 0.23 0.00 0.00 176.35 175.93 2oat s LEU 290 N -0.02 2.28 0.00 1.79 1.43 -0.44 -1.24 118.68 122.48 2oat s LEU 290 Ca 0.02 -0.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 2oat s LEU 290 Cb -0.13 -0.61 0.00 0.00 0.03 0.00 0.00 46.19 45.48 2oat s LEU 290 CO 0.02 -0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.17 2oat n GLY 291 N 1.23 2.36 6.98 -3.19 0.00 -1.26 -0.37 105.19 110.93 2oat n GLY 291 Ca -0.21 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2oat n GLY 291 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2oat n LYS 292 N 0.00 0.00 0.00 1.61 5.02 -1.26 -1.03 118.16 122.51 2oat n LYS 292 Ca 0.00 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.37 2oat n LYS 292 Cb 0.00 0.00 0.47 0.00 -0.02 0.00 0.00 35.03 35.48 2oat n LYS 292 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2oat n ALA 293 N 7.04 2.08 0.32 7.82 0.00 -1.19 -2.93 120.51 133.66 2oat n ALA 293 Ca 0.00 -0.10 0.22 0.00 0.00 0.00 0.00 53.44 53.56 2oat n ALA 293 Cb 0.00 -1.26 1.16 0.00 0.00 0.00 0.00 19.45 19.36 2oat n ALA 293 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2oat h LEU 294 N 0.00 0.00 -0.83 0.00 5.85 -1.36 -1.44 115.31 117.54 2oat h LEU 294 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2oat h LEU 294 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2oat h LEU 294 CO 0.00 0.00 -0.03 -1.54 -0.34 0.00 0.00 178.44 176.53 2oat n SER 295 N -3.01 0.97 -0.59 1.25 3.41 -1.15 -4.17 113.62 110.32 2oat n SER 295 Ca -0.03 -0.98 -0.08 0.00 -0.26 0.00 0.00 58.87 57.52 2oat n SER 295 Cb 0.07 0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 64.25 2oat n SER 295 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2oat n GLY 296 N 0.41 0.93 1.62 5.00 0.00 -0.54 -2.73 105.19 109.88 2oat n GLY 296 Ca 0.01 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2oat n GLY 296 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oat n GLY 297 N -1.39 0.76 0.00 -0.02 0.00 -0.95 -4.58 105.19 99.01 2oat n GLY 297 Ca -0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.05 2oat n GLY 297 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2oat n LEU 298 N 0.00 0.72 -3.60 0.99 4.32 -1.10 -4.96 117.00 113.36 2oat n LEU 298 Ca 0.00 -0.21 -0.10 0.00 -0.02 0.00 0.00 56.01 55.68 2oat n LEU 298 Cb 0.00 -0.13 -0.06 0.00 -1.62 0.00 0.00 43.42 41.61 2oat n LEU 298 CO 0.00 0.17 0.76 -0.47 -1.22 0.00 0.00 177.39 176.63 2oat s TYR 299 N -3.03 -0.41 -0.72 -1.77 6.14 -1.26 -5.09 117.35 111.21 2oat s TYR 299 Ca 0.09 0.83 -0.27 0.00 0.64 0.00 0.00 57.07 58.35 2oat s TYR 299 Cb 0.16 0.42 0.03 0.00 0.42 0.00 0.00 41.96 42.99 2oat s TYR 299 CO 0.78 -0.30 1.30 -2.14 0.64 0.00 0.00 175.55 175.83 2oat s PRO 300 N -0.61 3.19 -0.09 4.97 0.02 -1.26 -4.57 135.00 136.65 2oat s PRO 300 Ca -0.00 -0.15 0.03 0.00 0.02 0.00 0.00 61.00 60.90 2oat s PRO 300 Cb -0.02 -4.18 0.01 0.00 0.02 0.00 0.00 34.50 30.33 2oat s PRO 300 CO -0.01 -2.14 -0.19 0.08 -0.33 0.00 0.00 177.00 174.41 2oat s VAL 301 N 5.84 1.66 0.17 3.83 1.01 -0.87 -4.47 120.40 127.57 2oat s VAL 301 Ca 0.37 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.59 2oat s VAL 301 Cb -0.08 -1.46 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 2oat s VAL 301 CO 0.16 0.47 0.01 -0.94 0.00 0.00 0.00 175.10 174.81 2oat s SER 302 N 0.53 1.10 -0.08 3.32 1.04 -0.55 -4.10 113.70 114.97 2oat s SER 302 Ca -0.16 -1.19 -0.17 0.00 0.48 0.00 0.00 55.95 54.91 2oat s SER 302 Cb -0.17 0.14 0.04 0.00 0.10 0.00 0.00 66.02 66.13 2oat s SER 302 CO 0.06 -0.60 0.41 0.00 0.98 0.00 0.00 173.24 174.09 2oat s ALA 303 N -3.71 -1.02 -0.26 5.32 0.00 0.50 -1.46 121.76 121.12 2oat s ALA 303 Ca 0.25 0.82 0.03 0.00 0.00 0.00 0.00 51.96 53.05 2oat s ALA 303 Cb 0.06 -0.25 0.06 0.00 0.00 0.00 0.00 23.12 22.99 2oat s ALA 303 CO 0.04 -0.25 -0.11 0.08 0.00 0.00 0.00 175.76 175.52 2oat s VAL 304 N -0.67 2.19 -0.14 0.00 1.01 -0.55 -1.32 120.40 120.92 2oat s VAL 304 Ca -0.08 -1.59 -0.08 0.00 0.00 0.00 0.00 61.98 60.24 2oat s VAL 304 Cb -0.04 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 2oat s VAL 304 CO 0.03 0.00 0.14 -0.76 0.00 0.00 0.00 175.10 174.52 2oat s LEU 305 N 1.12 4.34 -0.01 3.92 1.43 -0.38 -0.57 118.68 128.52 2oat s LEU 305 Ca -0.08 0.40 -0.30 0.00 -1.03 0.00 0.00 54.13 53.13 2oat s LEU 305 Cb -0.20 -2.08 0.10 0.00 0.03 0.00 0.00 46.19 44.05 2oat s LEU 305 CO -0.05 0.34 1.04 0.00 0.23 0.00 0.00 176.35 177.91 2oat s ASP 307 N -2.60 4.82 0.27 0.00 1.01 -1.26 -2.12 116.67 116.80 2oat s ASP 307 Ca 0.09 1.17 0.00 0.00 0.71 0.00 0.00 52.55 54.52 2oat s ASP 307 Cb -0.00 -1.90 0.54 0.00 1.01 0.00 0.00 42.92 42.57 2oat s ASP 307 CO -0.05 -1.74 1.80 0.44 0.21 0.00 0.00 175.17 175.83 2oat h ASP 308 N -0.93 0.74 -0.10 0.27 3.32 -1.96 -1.37 116.42 116.39 2oat h ASP 308 Ca -0.46 0.07 0.03 0.00 0.02 0.00 0.00 57.03 56.69 2oat h ASP 308 Cb 1.27 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 2oat h ASP 308 CO 0.62 0.36 0.12 -2.24 -1.72 0.00 0.00 179.24 176.38 2oat h ASP 309 N 0.81 0.00 0.00 6.45 2.03 -1.98 -1.10 116.42 122.63 2oat h ASP 309 Ca 0.48 0.00 -0.34 0.00 -0.73 0.00 0.00 57.03 56.44 2oat h ASP 309 Cb 0.57 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.02 2oat h ASP 309 CO -0.31 0.00 -2.08 -0.38 -1.03 0.00 0.00 179.24 175.45 2oat n ILE 310 N -3.81 1.52 -0.17 4.15 5.41 -0.74 -4.52 119.36 121.21 2oat n ILE 310 Ca -0.00 -0.23 -0.02 0.00 1.00 0.00 0.00 62.75 63.49 2oat n ILE 310 Cb 0.22 -2.01 0.07 0.00 -0.71 0.00 0.00 39.64 37.22 2oat n ILE 310 CO 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 176.55 176.52 2oat h MET 311 N -1.00 0.26 0.00 0.38 4.05 -1.22 -2.15 114.93 115.26 2oat h MET 311 Ca -0.51 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 58.89 2oat h MET 311 Cb 1.44 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 32.18 2oat h MET 311 CO -0.31 0.17 0.00 1.28 0.23 0.00 0.00 176.91 178.28 2oat n LEU 312 N -5.09 0.00 0.27 3.39 4.77 -0.42 -2.86 117.00 117.05 2oat n LEU 312 Ca 0.06 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.19 2oat n LEU 312 Cb 0.25 0.00 0.64 0.00 -2.33 0.00 0.00 43.42 41.98 2oat n LEU 312 CO 0.21 0.00 0.95 0.71 -1.33 0.00 0.00 177.39 177.93 2oat h THR 313 N 0.00 0.15 -3.62 -5.08 1.35 -1.60 -3.39 112.91 100.71 2oat h THR 313 Ca 0.00 -0.65 -0.66 0.00 -0.55 0.00 0.00 66.41 64.56 2oat h THR 313 Cb 0.00 1.56 -0.16 0.00 -1.73 0.00 0.00 68.15 67.81 2oat h THR 313 CO 0.00 0.06 -0.15 -0.63 -0.25 0.00 0.00 175.52 174.55 2oat s ILE 314 N -3.70 5.08 0.54 6.82 1.01 -1.13 -4.94 121.20 124.88 2oat s ILE 314 Ca 0.01 0.16 -0.02 0.00 0.00 0.00 0.00 60.65 60.80 2oat s ILE 314 Cb 0.09 -3.92 0.02 0.00 0.01 0.00 0.00 42.46 38.66 2oat s ILE 314 CO 0.56 -0.20 0.80 -0.54 0.00 0.00 0.00 174.94 175.56 2oat s LYS 315 N 2.24 2.75 0.17 2.79 -0.14 -1.26 -4.97 119.74 121.32 2oat s LYS 315 Ca 0.15 -0.46 -0.33 0.00 -1.36 0.00 0.00 55.97 53.97 2oat s LYS 315 Cb -0.16 -2.43 -0.14 0.00 -1.68 0.00 0.00 37.83 33.42 2oat s LYS 315 CO 0.13 -0.63 1.43 -2.30 -0.76 0.00 0.00 175.35 173.22 2oat n PRO 316 N -2.38 1.81 -0.15 -1.68 -0.02 -1.26 -1.67 135.00 129.66 2oat n PRO 316 Ca 0.05 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2oat n PRO 316 Cb 0.59 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 2oat n PRO 316 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oat n GLY 317 N 2.71 1.23 0.39 -1.23 0.00 -1.26 -4.91 105.19 102.11 2oat n GLY 317 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 2oat n GLY 317 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2oat n GLU 318 N -2.00 1.10 -3.53 1.61 1.02 -0.67 -4.95 120.64 113.23 2oat n GLU 318 Ca 0.00 -0.78 -0.14 0.00 -0.02 0.00 0.00 57.16 56.22 2oat n GLU 318 Cb 0.00 -1.48 -0.05 0.00 -0.02 0.00 0.00 31.44 29.89 2oat n GLU 318 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2oat s HIS 319 N -2.44 -0.51 -1.35 -0.32 2.46 -1.26 -4.97 115.29 106.90 2oat s HIS 319 Ca 0.23 0.79 0.00 0.00 0.47 0.00 0.00 55.06 56.55 2oat s HIS 319 Cb 0.19 0.45 0.00 0.00 -0.13 0.00 0.00 32.58 33.09 2oat s HIS 319 CO 0.52 -0.53 0.00 0.41 -2.47 0.00 0.00 174.74 172.67 2oat n GLY 320 N 0.62 -0.93 3.62 1.59 0.00 -1.26 -5.06 105.19 103.78 2oat n GLY 320 Ca -0.15 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 2oat n GLY 320 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2oat s SER 321 N -4.00 -0.40 0.08 1.61 0.15 -1.26 -5.02 113.70 104.86 2oat s SER 321 Ca 0.00 0.67 -0.29 0.00 0.70 0.00 0.00 55.95 57.03 2oat s SER 321 Cb 0.00 0.65 -0.16 0.00 -1.71 0.00 0.00 66.02 64.80 2oat s SER 321 CO 0.00 -0.20 1.66 0.74 1.20 0.00 0.00 173.24 176.64 2oat h THR 322 N 3.24 0.52 0.00 6.45 2.02 -2.02 -3.15 112.91 119.97 2oat h THR 322 Ca -0.25 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.93 2oat h THR 322 Cb 1.17 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 2oat h THR 322 CO 0.17 0.00 -0.37 -1.22 0.37 0.00 0.00 175.52 174.48 2oat n TYR 323 N -5.37 0.14 -1.69 3.16 4.02 -1.26 -4.52 117.16 111.64 2oat n TYR 323 Ca -0.11 0.04 -0.43 0.00 -0.01 0.00 0.00 57.90 57.39 2oat n TYR 323 Cb 0.27 -0.42 -0.03 0.00 -0.02 0.00 0.00 39.34 39.14 2oat n TYR 323 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2oat n GLY 324 N 1.46 1.50 2.08 2.72 0.00 -1.19 -1.87 105.19 109.90 2oat n GLY 324 Ca 0.06 0.68 -0.01 0.00 0.00 0.00 0.00 46.02 46.75 2oat n GLY 324 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oat n GLY 325 N 3.98 0.48 3.71 -0.02 0.00 -1.26 -4.83 105.19 107.24 2oat n GLY 325 Ca 0.17 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 2oat n GLY 325 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oat s ASN 326 N -2.28 3.81 0.32 1.61 2.20 -0.78 -4.62 114.94 115.20 2oat s ASN 326 Ca 0.00 2.39 0.03 0.00 -0.94 0.00 0.00 52.86 54.35 2oat s ASN 326 Cb 0.00 -2.59 0.54 0.00 -2.00 0.00 0.00 41.25 37.20 2oat s ASN 326 CO 0.00 -2.52 1.83 1.55 -2.94 0.00 0.00 177.10 175.02 2oat h PRO 327 N -0.63 0.54 0.18 3.55 0.13 -1.87 -1.86 132.00 132.04 2oat h PRO 327 Ca -0.47 -0.13 -0.01 0.00 -0.87 0.00 0.00 66.00 64.52 2oat h PRO 327 Cb 1.30 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2oat h PRO 327 CO 0.48 0.60 -0.09 1.25 -0.23 0.00 0.00 178.00 180.01 2oat h LEU 328 N 0.51 -0.21 -1.42 1.56 5.85 -1.75 -1.31 115.31 118.54 2oat h LEU 328 Ca 0.10 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.63 2oat h LEU 328 Cb 0.40 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 2oat h LEU 328 CO 0.02 0.09 0.40 1.23 -0.34 0.00 0.00 178.44 179.84 2oat h GLY 329 N -0.52 0.84 0.88 3.75 0.00 -1.84 -2.36 103.07 103.82 2oat h GLY 329 Ca -0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 2oat h GLY 329 CO 0.04 0.30 0.07 0.00 0.00 0.00 0.00 176.54 176.95 2oat h ARG 331 N 0.24 0.70 -0.21 0.00 2.47 -0.95 -0.29 114.38 116.35 2oat h ARG 331 Ca 0.08 -0.04 -0.12 0.00 -1.26 0.00 0.00 59.98 58.63 2oat h ARG 331 Cb 0.27 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.42 2oat h ARG 331 CO -0.00 0.46 -0.40 -0.39 0.56 0.00 0.00 179.97 180.21 2oat h VAL 332 N 0.72 1.30 -0.46 2.04 -1.51 -1.26 -2.73 116.25 114.35 2oat h VAL 332 Ca 0.29 -1.55 -0.14 0.00 -1.23 0.00 0.00 66.70 64.08 2oat h VAL 332 Cb 0.15 1.57 -0.01 0.00 -2.13 0.00 0.00 31.29 30.87 2oat h VAL 332 CO -0.16 0.48 -0.25 0.00 -1.23 0.00 0.00 177.57 176.41 2oat h ALA 333 N 1.17 0.65 -0.49 5.19 0.00 -0.68 0.14 119.26 125.23 2oat h ALA 333 Ca 0.04 -0.41 0.05 0.00 0.00 0.00 0.00 54.91 54.59 2oat h ALA 333 Cb 0.87 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 2oat h ALA 333 CO 0.07 0.66 0.23 0.82 0.00 0.00 0.00 179.25 181.04 2oat h ILE 334 N 0.83 0.93 -0.47 0.00 2.04 -1.07 -0.71 117.51 119.06 2oat h ILE 334 Ca 0.10 -0.16 -0.09 0.00 1.00 0.00 0.00 64.86 65.71 2oat h ILE 334 Cb 0.84 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 2oat h ILE 334 CO 0.07 0.08 -0.07 0.00 0.00 0.00 0.00 178.15 178.24 2oat h ALA 335 N 1.28 1.00 -0.80 1.87 0.00 -1.18 -1.10 119.26 120.32 2oat h ALA 335 Ca 0.22 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2oat h ALA 335 Cb 0.15 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2oat h ALA 335 CO -0.17 0.60 0.36 0.00 0.00 0.00 0.00 179.25 180.04 2oat h ALA 336 N 1.17 1.04 -0.28 0.00 0.00 -0.28 -1.83 119.26 119.07 2oat h ALA 336 Ca 0.13 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 2oat h ALA 336 Cb 0.55 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2oat h ALA 336 CO 0.03 0.62 -0.48 -0.07 0.00 0.00 0.00 179.25 179.36 2oat h LEU 337 N 1.15 0.82 -0.83 0.00 3.38 -0.94 -3.02 115.31 115.86 2oat h LEU 337 Ca 0.27 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 2oat h LEU 337 Cb 0.16 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2oat h LEU 337 CO -0.03 1.16 0.50 -0.33 0.09 0.00 0.00 178.44 179.83 2oat h GLU 338 N 0.59 1.13 -0.41 1.13 5.08 -0.96 -2.55 114.58 118.59 2oat h GLU 338 Ca 0.03 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2oat h GLU 338 Cb 1.04 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 2oat h GLU 338 CO 0.10 0.79 0.23 0.28 -1.00 0.00 0.00 179.01 179.42 2oat h VAL 339 N 1.14 1.03 -0.53 3.13 2.07 -1.28 0.45 116.25 122.25 2oat h VAL 339 Ca 0.30 -0.16 0.06 0.00 0.82 0.00 0.00 66.70 67.71 2oat h VAL 339 Cb -0.04 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.20 2oat h VAL 339 CO -0.06 0.09 0.25 -0.07 0.02 0.00 0.00 177.57 177.80 2oat h LEU 340 N 0.47 0.34 0.62 2.57 3.38 -1.34 -0.51 115.31 120.84 2oat h LEU 340 Ca 0.16 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 2oat h LEU 340 Cb 0.02 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 40.76 2oat h LEU 340 CO -0.09 0.23 -0.30 -0.08 0.09 0.00 0.00 178.44 178.30 2oat h GLU 341 N 0.48 -0.80 -0.88 1.13 4.57 -1.22 -2.20 114.58 115.66 2oat h GLU 341 Ca 0.24 0.05 0.02 0.00 -1.18 0.00 0.00 59.36 58.50 2oat h GLU 341 Cb 0.19 0.18 -0.05 0.00 -0.16 0.00 0.00 28.75 28.91 2oat h GLU 341 CO -0.19 -0.49 0.58 0.93 -1.18 0.00 0.00 179.01 178.66 2oat h GLU 342 N -1.12 1.13 -0.20 1.92 5.08 -0.03 -2.40 114.58 118.96 2oat h GLU 342 Ca -0.08 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2oat h GLU 342 Cb 0.68 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2oat h GLU 342 CO 0.14 0.75 0.00 0.39 -1.00 0.00 0.00 179.01 179.28 2oat n GLU 343 N -4.42 1.92 -3.91 2.33 1.02 -0.21 -4.96 120.64 112.42 2oat n GLU 343 Ca 0.11 -1.38 -0.28 0.00 -0.02 0.00 0.00 57.16 55.58 2oat n GLU 343 Cb 0.05 -1.43 -0.01 0.00 -0.02 0.00 0.00 31.44 30.04 2oat n GLU 343 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2oat n ASN 344 N 0.61 -1.69 0.20 1.62 3.02 -0.91 -4.85 115.26 113.27 2oat n ASN 344 Ca 0.17 -1.04 0.08 0.00 -0.03 0.00 0.00 54.58 53.76 2oat n ASN 344 Cb 0.40 -3.00 0.37 0.00 -0.61 0.00 0.00 39.78 36.95 2oat n ASN 344 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2oat h LEU 345 N -1.90 0.00 -0.17 3.41 3.38 -1.69 -2.78 115.31 115.55 2oat h LEU 345 Ca -0.65 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.32 2oat h LEU 345 Cb 1.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 2oat h LEU 345 CO 0.59 0.30 0.07 0.00 0.09 0.00 0.00 178.44 179.49 2oat h ALA 346 N 1.70 0.23 -0.67 1.53 0.00 -1.79 0.22 119.26 120.48 2oat h ALA 346 Ca -0.00 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2oat h ALA 346 Cb 0.86 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2oat h ALA 346 CO 0.04 -0.19 0.44 0.93 0.00 0.00 0.00 179.25 180.47 2oat h GLU 347 N 0.13 0.88 -0.82 0.00 5.08 -1.74 -1.16 114.58 116.95 2oat h GLU 347 Ca 0.06 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2oat h GLU 347 Cb 0.16 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 2oat h GLU 347 CO -0.01 0.59 0.39 -0.97 -1.00 0.00 0.00 179.01 178.02 2oat h ASN 348 N 0.91 1.07 -0.25 1.42 -1.24 -1.25 -0.57 115.58 115.66 2oat h ASN 348 Ca 0.24 -0.14 -0.10 0.00 0.71 0.00 0.00 56.30 57.01 2oat h ASN 348 Cb -0.09 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 38.67 2oat h ASN 348 CO -0.05 0.91 -0.19 0.00 -1.29 0.00 0.00 177.43 176.80 2oat h ALA 349 N 1.21 0.97 0.08 1.57 0.00 -0.40 0.18 119.26 122.87 2oat h ALA 349 Ca 0.28 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2oat h ALA 349 Cb 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2oat h ALA 349 CO -0.04 0.60 -0.04 0.22 0.00 0.00 0.00 179.25 180.00 2oat h ASP 350 N 0.62 -0.09 -0.13 0.00 3.58 -0.86 0.17 116.42 119.72 2oat h ASP 350 Ca 0.09 -0.23 -0.01 0.00 0.42 0.00 0.00 57.03 57.31 2oat h ASP 350 Cb 0.67 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.74 2oat h ASP 350 CO 0.05 0.18 0.05 0.11 -2.88 0.00 0.00 179.24 176.76 2oat h LYS 351 N -0.37 0.19 0.00 0.28 1.57 -0.97 -3.04 116.57 114.23 2oat h LYS 351 Ca -0.01 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.59 2oat h LYS 351 Cb 0.32 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 2oat h LYS 351 CO 0.02 0.27 -0.70 -0.07 -0.57 0.00 0.00 179.45 178.40 2oat h LEU 352 N 0.06 0.00 -0.93 2.94 3.38 -1.00 -3.23 115.31 116.52 2oat h LEU 352 Ca 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2oat h LEU 352 Cb 0.15 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 2oat h LEU 352 CO -0.00 0.70 0.57 1.23 0.09 0.00 0.00 178.44 181.03 2oat h GLY 353 N 2.26 1.35 1.30 0.83 0.00 -0.59 -1.15 103.07 107.08 2oat h GLY 353 Ca -0.01 -0.55 -0.06 0.00 0.00 0.00 0.00 47.33 46.71 2oat h GLY 353 CO 0.09 0.54 0.09 1.19 0.00 0.00 0.00 176.54 178.45 2oat h ILE 354 N 1.28 1.24 -0.21 2.60 -0.00 -1.56 -1.45 117.51 119.41 2oat h ILE 354 Ca 0.34 -0.90 -0.02 0.00 -0.00 0.00 0.00 64.86 64.28 2oat h ILE 354 Cb -0.07 0.72 -0.01 0.00 -0.00 0.00 0.00 36.82 37.46 2oat h ILE 354 CO -0.06 0.33 0.07 0.40 -0.00 0.00 0.00 178.15 178.88 2oat h ILE 355 N 0.82 1.19 -0.16 2.19 2.04 -1.37 -0.75 117.51 121.46 2oat h ILE 355 Ca 0.17 -0.59 0.05 0.00 1.00 0.00 0.00 64.86 65.49 2oat h ILE 355 Cb 0.36 1.18 -0.05 0.00 -0.74 0.00 0.00 36.82 37.57 2oat h ILE 355 CO 0.01 0.19 -0.14 0.25 0.00 0.00 0.00 178.15 178.45 2oat h LEU 356 N 0.17 -0.45 -0.34 1.44 6.46 -0.92 -0.63 115.31 121.04 2oat h LEU 356 Ca 0.07 0.09 -0.04 0.00 -0.12 0.00 0.00 57.88 57.88 2oat h LEU 356 Cb 0.23 0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.37 2oat h LEU 356 CO -0.00 -0.18 0.06 0.03 -0.62 0.00 0.00 178.44 177.73 2oat h ARG 357 N -0.15 0.56 -0.51 1.25 3.08 -1.17 -0.71 114.38 116.73 2oat h ARG 357 Ca 0.10 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2oat h ARG 357 Cb 0.31 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 2oat h ARG 357 CO -0.26 0.64 0.27 -0.91 -1.07 0.00 0.00 179.97 178.64 2oat h ASN 358 N 0.40 0.63 -0.12 7.04 2.35 -0.84 -0.84 115.58 124.20 2oat h ASN 358 Ca 0.10 -0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 55.74 2oat h ASN 358 Cb 0.34 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.56 2oat h ASN 358 CO 0.01 0.52 -0.19 -0.33 -1.65 0.00 0.00 177.43 175.78 2oat h GLU 359 N 0.71 0.34 -0.06 0.81 4.39 -0.92 -3.07 114.58 116.79 2oat h GLU 359 Ca 0.18 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2oat h GLU 359 Cb 0.04 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2oat h GLU 359 CO -0.03 0.79 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.53 2oat h LEU 360 N -0.07 0.08 -0.31 1.33 3.38 -0.90 -0.84 115.31 117.97 2oat h LEU 360 Ca 0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2oat h LEU 360 Cb 0.77 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2oat h LEU 360 CO 0.04 0.11 0.00 0.23 0.09 0.00 0.00 178.44 178.91 2oat n MET 361 N -4.47 0.08 0.10 1.13 2.81 -0.34 -1.97 117.12 114.46 2oat n MET 361 Ca -0.02 0.33 0.13 0.00 -1.81 0.00 0.00 57.70 56.33 2oat n MET 361 Cb 0.13 -1.66 0.44 0.00 -0.71 0.00 0.00 33.22 31.42 2oat n MET 361 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2oat n LYS 362 N -1.82 0.22 -1.94 0.03 5.02 -0.32 -4.81 118.16 114.54 2oat n LYS 362 Ca 0.03 0.24 -0.36 0.00 -2.02 0.00 0.00 58.31 56.20 2oat n LYS 362 Cb 0.19 -1.79 0.04 0.00 -0.02 0.00 0.00 35.03 33.45 2oat n LYS 362 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2oat s LEU 363 N -4.37 3.62 0.15 -0.35 1.43 -0.83 -4.90 118.68 113.44 2oat s LEU 363 Ca 0.09 2.38 -0.33 0.00 -1.03 0.00 0.00 54.13 55.24 2oat s LEU 363 Cb 0.12 -4.60 -0.13 0.00 0.03 0.00 0.00 46.19 41.62 2oat s LEU 363 CO 0.54 -1.67 1.68 -2.65 0.23 0.00 0.00 176.35 174.48 2oat n PRO 364 N -1.74 2.43 0.00 1.29 -0.02 -1.26 -4.80 135.00 130.90 2oat n PRO 364 Ca 0.14 0.88 0.03 0.00 -2.02 0.00 0.00 63.50 62.52 2oat n PRO 364 Cb 0.50 -2.69 0.13 0.00 -0.02 0.00 0.00 33.50 31.42 2oat n PRO 364 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2oat n SER 365 N 4.10 0.00 -0.45 2.55 7.64 -1.26 -0.87 113.62 125.32 2oat n SER 365 Ca 0.17 0.27 0.12 0.00 1.01 0.00 0.00 58.87 60.45 2oat n SER 365 Cb 0.32 -0.33 0.21 0.00 -1.01 0.00 0.00 64.21 63.40 2oat n SER 365 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2oat n ASP 366 N -1.33 1.71 -0.01 6.43 5.75 -1.26 -4.21 116.55 123.62 2oat n ASP 366 Ca 0.02 -1.34 -0.02 0.00 -0.01 0.00 0.00 54.79 53.45 2oat n ASP 366 Cb 0.05 0.24 -0.01 0.00 -1.03 0.00 0.00 41.12 40.37 2oat n ASP 366 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 2oat n VAL 367 N -0.08 0.14 -3.81 2.12 0.31 -0.05 -4.73 118.33 112.22 2oat n VAL 367 Ca 0.12 -0.05 -0.37 0.00 -0.01 0.00 0.00 64.34 64.04 2oat n VAL 367 Cb 0.43 -0.99 -0.13 0.00 -0.91 0.00 0.00 33.84 32.24 2oat n VAL 367 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2oat s VAL 368 N -2.05 3.49 0.13 2.52 1.01 -0.42 -1.41 120.40 123.67 2oat s VAL 368 Ca -0.03 -1.18 -0.01 0.00 0.00 0.00 0.00 61.98 60.76 2oat s VAL 368 Cb 0.01 -2.96 -0.20 0.00 0.00 0.00 0.00 36.38 33.23 2oat s VAL 368 CO 0.05 -0.12 1.29 0.74 0.00 0.00 0.00 175.10 177.06 2oat h THR 369 N 6.25 1.49 -2.57 3.92 2.02 -0.98 -3.35 112.91 119.69 2oat h THR 369 Ca -0.24 -2.77 -0.08 0.00 0.77 0.00 0.00 66.41 64.10 2oat h THR 369 Cb 1.08 2.62 -0.18 0.00 -1.74 0.00 0.00 68.15 69.93 2oat h THR 369 CO 0.58 0.81 0.01 0.00 0.37 0.00 0.00 175.52 177.28 2oat s ALA 370 N -3.03 -1.33 -0.06 6.16 0.00 -1.17 -4.97 121.76 117.36 2oat s ALA 370 Ca -0.04 0.77 0.04 0.00 0.00 0.00 0.00 51.96 52.73 2oat s ALA 370 Cb 0.09 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.38 2oat s ALA 370 CO 0.85 -0.39 -0.17 0.08 0.00 0.00 0.00 175.76 176.13 2oat s VAL 371 N -1.71 1.46 0.16 0.00 1.01 -1.26 -1.08 120.40 118.98 2oat s VAL 371 Ca -0.09 -0.70 -0.13 0.00 0.00 0.00 0.00 61.98 61.06 2oat s VAL 371 Cb -0.02 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 35.10 2oat s VAL 371 CO 0.04 0.42 0.38 0.00 0.00 0.00 0.00 175.10 175.94 2oat s ARG 372 N 0.29 1.20 0.00 2.72 1.70 -0.11 -5.00 118.95 119.75 2oat s ARG 372 Ca -0.10 -0.98 0.00 0.00 -0.47 0.00 0.00 55.73 54.18 2oat s ARG 372 Cb -0.14 0.44 0.00 0.00 -0.57 0.00 0.00 34.95 34.68 2oat s ARG 372 CO 0.04 -0.47 0.00 0.41 -1.08 0.00 0.00 175.30 174.20 2oat n GLY 373 N -0.25 -0.42 2.93 3.88 0.00 -1.26 -0.30 105.19 109.77 2oat n GLY 373 Ca -0.10 -1.72 -0.14 0.00 0.00 0.00 0.00 46.02 44.06 2oat n GLY 373 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oat s LYS 374 N -1.39 0.27 5.24 1.61 1.02 -0.87 -4.99 119.74 120.63 2oat s LYS 374 Ca 0.00 -0.13 0.00 0.00 0.02 0.00 0.00 55.97 55.86 2oat s LYS 374 Cb 0.00 -0.25 0.00 0.00 -0.52 0.00 0.00 37.83 37.06 2oat s LYS 374 CO 0.00 0.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.91 2oat n GLY 375 N 2.96 2.98 1.97 -3.33 0.00 -1.05 -1.86 105.19 106.87 2oat n GLY 375 Ca -0.13 -0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 2oat n GLY 375 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2oat n LEU 376 N 0.00 6.10 -4.07 0.99 4.32 -0.30 -4.07 117.00 119.98 2oat n LEU 376 Ca 0.00 -3.48 -0.34 0.00 -0.02 0.00 0.00 56.01 52.17 2oat n LEU 376 Cb 0.00 -0.77 -0.12 0.00 -1.62 0.00 0.00 43.42 40.91 2oat n LEU 376 CO 0.00 0.98 -0.13 -0.22 -1.22 0.00 0.00 177.39 176.80 2oat s LEU 377 N -3.17 5.02 0.20 2.23 2.96 -0.78 -4.26 118.68 120.89 2oat s LEU 377 Ca 0.54 -2.48 0.03 0.00 -0.22 0.00 0.00 54.13 52.01 2oat s LEU 377 Cb 0.45 -1.78 -0.05 0.00 0.50 0.00 0.00 46.19 45.32 2oat s LEU 377 CO 0.10 -0.41 -0.03 0.20 -1.32 0.00 0.00 176.35 174.90 2oat s ASN 378 N 0.97 1.69 0.06 3.68 0.01 -0.88 -2.04 114.94 118.44 2oat s ASN 378 Ca 0.13 -1.16 -0.12 0.00 -0.71 0.00 0.00 52.86 51.00 2oat s ASN 378 Cb -0.22 0.03 0.01 0.00 0.41 0.00 0.00 41.25 41.48 2oat s ASN 378 CO -0.04 -0.48 0.26 0.00 -1.51 0.00 0.00 177.10 175.33 2oat s ALA 379 N -3.45 -0.50 0.09 0.60 0.00 0.59 -0.31 121.76 118.78 2oat s ALA 379 Ca 0.25 -0.24 0.10 0.00 0.00 0.00 0.00 51.96 52.06 2oat s ALA 379 Cb 0.05 0.39 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 2oat s ALA 379 CO 0.06 -0.45 -0.24 0.96 0.00 0.00 0.00 175.76 176.09 2oat s ILE 380 N -3.03 2.40 -0.17 0.00 -4.36 0.16 -0.94 121.20 115.26 2oat s ILE 380 Ca -0.02 -1.52 -0.03 0.00 -0.26 0.00 0.00 60.65 58.83 2oat s ILE 380 Cb 0.01 -2.02 -0.02 0.00 1.25 0.00 0.00 42.46 41.67 2oat s ILE 380 CO -0.06 0.22 -0.04 -0.69 0.24 0.00 0.00 174.94 174.60 2oat s VAL 381 N -0.97 3.70 0.23 8.37 1.01 -0.24 -0.97 120.40 131.53 2oat s VAL 381 Ca 0.14 -0.41 0.06 0.00 0.00 0.00 0.00 61.98 61.77 2oat s VAL 381 Cb -0.10 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 2oat s VAL 381 CO 0.05 0.47 0.21 0.27 0.00 0.00 0.00 175.10 176.11 2oat s ILE 382 N 0.65 4.60 -1.29 2.22 -4.36 0.18 -0.52 121.20 122.66 2oat s ILE 382 Ca -0.03 -1.26 -0.16 0.00 -0.26 0.00 0.00 60.65 58.95 2oat s ILE 382 Cb -0.15 -3.46 0.09 0.00 1.25 0.00 0.00 42.46 40.20 2oat s ILE 382 CO 0.02 -0.29 1.72 1.17 0.24 0.00 0.00 174.94 177.81 2oat n LYS 383 N -1.02 3.22 -1.80 0.37 4.81 -0.50 -4.75 118.16 118.50 2oat n LYS 383 Ca -0.08 -3.36 -0.41 0.00 -0.87 0.00 0.00 58.31 53.59 2oat n LYS 383 Cb 0.57 -3.35 -0.01 0.00 0.02 0.00 0.00 35.03 32.26 2oat n LYS 383 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2oat s GLU 384 N 3.34 4.12 0.47 1.64 2.12 -1.26 -4.98 118.70 124.16 2oat s GLU 384 Ca 0.50 2.56 0.00 0.00 0.36 0.00 0.00 54.97 58.40 2oat s GLU 384 Cb 0.04 -3.00 -0.00 0.00 0.26 0.00 0.00 34.13 31.42 2oat s GLU 384 CO 0.04 -0.58 0.02 0.25 -0.54 0.00 0.00 175.26 174.45 2oat n THR 385 N 1.44 0.00 0.20 -1.70 -2.24 -0.44 -5.00 114.28 106.54 2oat n THR 385 Ca 0.05 -2.26 0.05 0.00 -2.27 0.00 0.00 64.05 59.62 2oat n THR 385 Cb 0.38 0.49 0.42 0.00 -2.10 0.00 0.00 70.33 69.53 2oat n THR 385 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2oat h LYS 386 N 0.00 0.00 0.00 -0.78 6.56 -2.03 -3.13 116.57 117.18 2oat h LYS 386 Ca -0.39 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.20 2oat h LYS 386 Cb 1.20 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.86 2oat h LYS 386 CO 0.64 0.33 -1.49 -0.40 -2.06 0.00 0.00 179.45 176.46 2oat n ASP 387 N -3.87 0.40 -3.88 0.86 5.68 -1.26 -4.93 116.55 109.55 2oat n ASP 387 Ca -0.01 -0.10 -0.22 0.00 -0.50 0.00 0.00 54.79 53.95 2oat n ASP 387 Cb 0.40 1.35 -0.17 0.00 -1.14 0.00 0.00 41.12 41.56 2oat n ASP 387 CO 0.00 0.00 0.00 0.86 -1.33 0.00 0.00 177.20 176.73 2oat s TRP 388 N -3.36 0.91 0.30 2.11 -0.00 -1.18 -5.07 118.94 112.64 2oat s TRP 388 Ca -0.02 -0.31 -0.01 0.00 -0.00 0.00 0.00 56.10 55.76 2oat s TRP 388 Cb 0.14 -0.82 -0.01 0.00 -0.00 0.00 0.00 33.47 32.78 2oat s TRP 388 CO 0.86 -0.27 0.37 0.16 -0.00 0.00 0.00 176.95 178.06 2oat s ASP 389 N 1.23 0.85 0.27 5.86 1.47 -1.26 -1.33 116.67 123.75 2oat s ASP 389 Ca -0.06 -1.47 -0.02 0.00 1.18 0.00 0.00 52.55 52.18 2oat s ASP 389 Cb -0.14 0.58 0.43 0.00 -0.34 0.00 0.00 42.92 43.45 2oat s ASP 389 CO -0.02 -1.14 1.87 0.00 0.68 0.00 0.00 175.17 176.56 2oat h ALA 390 N 2.22 1.40 -0.41 2.11 0.00 -1.44 -1.31 119.26 121.83 2oat h ALA 390 Ca -0.29 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2oat h ALA 390 Cb 1.24 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2oat h ALA 390 CO 0.40 0.39 0.24 2.35 0.00 0.00 0.00 179.25 182.63 2oat h TRP 391 N 1.13 0.56 -0.84 0.00 2.91 -1.85 -0.89 115.95 116.97 2oat h TRP 391 Ca 0.44 -0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.43 2oat h TRP 391 Cb 0.23 -0.18 -0.04 0.00 -0.51 0.00 0.00 29.16 28.66 2oat h TRP 391 CO -0.00 0.41 0.41 0.87 -1.03 0.00 0.00 178.44 179.09 2oat h LYS 392 N 0.54 1.20 -0.82 2.65 1.57 -1.75 -0.84 116.57 119.12 2oat h LYS 392 Ca 0.15 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 2oat h LYS 392 Cb 0.02 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.08 2oat h LYS 392 CO -0.03 0.92 0.35 0.28 -0.57 0.00 0.00 179.45 180.41 2oat h VAL 393 N 1.19 1.26 -0.06 0.50 2.07 -1.00 -2.28 116.25 117.93 2oat h VAL 393 Ca 0.29 -0.79 -0.13 0.00 0.82 0.00 0.00 66.70 66.89 2oat h VAL 393 Cb 0.11 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 2oat h VAL 393 CO -0.04 0.33 -0.55 0.00 0.02 0.00 0.00 177.57 177.33 2oat h LEU 395 N 0.13 0.80 -0.79 0.00 3.38 -0.92 -1.72 115.31 116.19 2oat h LEU 395 Ca -0.00 -0.30 -0.11 0.00 0.09 0.00 0.00 57.88 57.56 2oat h LEU 395 Cb 1.01 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 2oat h LEU 395 CO 0.08 0.90 -0.29 -0.09 0.09 0.00 0.00 178.44 179.13 2oat h ARG 396 N 0.67 0.59 -0.60 1.13 2.43 -1.17 -1.73 114.38 115.70 2oat h ARG 396 Ca 0.14 -0.25 -0.00 0.00 -0.81 0.00 0.00 59.98 59.06 2oat h ARG 396 Cb 0.48 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 2oat h ARG 396 CO 0.02 0.81 0.36 -0.07 -1.51 0.00 0.00 179.97 179.59 2oat h LEU 397 N 0.51 0.71 -0.44 3.80 4.07 -1.02 -0.17 115.31 122.77 2oat h LEU 397 Ca 0.06 -0.05 0.02 0.00 0.08 0.00 0.00 57.88 57.99 2oat h LEU 397 Cb 0.76 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 42.29 2oat h LEU 397 CO 0.06 0.56 0.26 -0.09 -1.08 0.00 0.00 178.44 178.15 2oat h ARG 398 N 0.81 0.51 -0.12 1.13 2.43 -0.93 0.40 114.38 118.60 2oat h ARG 398 Ca 0.21 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 2oat h ARG 398 Cb -0.03 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 2oat h ARG 398 CO -0.04 0.34 -0.06 -0.44 -1.51 0.00 0.00 179.97 178.25 2oat h ASP 399 N 0.52 0.16 -0.54 -3.80 3.32 -0.67 -1.87 116.42 113.55 2oat h ASP 399 Ca 0.18 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2oat h ASP 399 Cb 0.01 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.52 2oat h ASP 399 CO -0.08 0.25 0.00 0.59 -1.72 0.00 0.00 179.24 178.28 2oat n ASN 400 N -4.37 3.07 0.00 6.45 5.03 -0.14 -4.96 115.26 120.35 2oat n ASN 400 Ca -0.01 -2.06 0.00 0.00 0.87 0.00 0.00 54.58 53.38 2oat n ASN 400 Cb 0.20 -0.39 0.00 0.00 -1.02 0.00 0.00 39.78 38.57 2oat n ASN 400 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2oat n GLY 401 N 1.29 0.79 2.95 7.41 0.00 -0.70 -4.97 105.19 111.96 2oat n GLY 401 Ca 0.19 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 2oat n GLY 401 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2oat s LEU 402 N 0.00 1.63 -0.25 0.99 0.20 0.05 -1.04 118.68 120.26 2oat s LEU 402 Ca 0.00 -0.15 -0.09 0.00 0.69 0.00 0.00 54.13 54.57 2oat s LEU 402 Cb 0.00 -0.48 -0.04 0.00 -0.43 0.00 0.00 46.19 45.24 2oat s LEU 402 CO 0.00 0.02 0.13 -0.76 -0.29 0.00 0.00 176.35 175.44 2oat s LEU 403 N 0.45 3.82 0.07 -0.68 1.43 0.65 -2.37 118.68 122.05 2oat s LEU 403 Ca -0.06 -0.04 -0.01 0.00 -1.03 0.00 0.00 54.13 52.99 2oat s LEU 403 Cb -0.10 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 2oat s LEU 403 CO 0.00 0.01 -0.01 0.00 0.23 0.00 0.00 176.35 176.58 2oat s ALA 404 N 1.38 0.60 -0.03 4.21 0.00 -1.26 -0.41 121.76 126.24 2oat s ALA 404 Ca 0.06 -1.27 0.03 0.00 0.00 0.00 0.00 51.96 50.77 2oat s ALA 404 Cb -0.15 0.42 0.00 0.00 0.00 0.00 0.00 23.12 23.39 2oat s ALA 404 CO 0.06 -0.40 -0.10 0.21 0.00 0.00 0.00 175.76 175.53 2oat s LYS 405 N -3.95 1.09 0.54 0.00 2.47 -1.26 -4.90 119.74 113.73 2oat s LYS 405 Ca 0.11 -0.33 -0.19 0.00 -1.56 0.00 0.00 55.97 54.00 2oat s LYS 405 Cb 0.08 -0.99 -0.06 0.00 -1.46 0.00 0.00 37.83 35.39 2oat s LYS 405 CO -0.07 0.11 1.09 -2.14 0.16 0.00 0.00 175.35 174.49 2oat s PRO 406 N 0.26 3.46 -0.00 4.03 0.02 -1.26 -3.10 135.00 138.41 2oat s PRO 406 Ca -0.05 1.46 0.15 0.00 0.02 0.00 0.00 61.00 62.58 2oat s PRO 406 Cb -0.10 -2.04 -0.17 0.00 0.02 0.00 0.00 34.50 32.22 2oat s PRO 406 CO 0.01 -0.73 0.64 -2.37 -0.33 0.00 0.00 177.00 174.22 2oat n THR 407 N -1.36 0.00 -3.64 0.99 5.66 0.88 -4.93 114.28 111.89 2oat n THR 407 Ca 0.10 -0.14 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 2oat n THR 407 Cb 0.52 0.99 0.00 0.00 -1.55 0.00 0.00 70.33 70.29 2oat n THR 407 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 2oat n HIS 408 N -1.37 -0.33 0.40 1.09 8.25 -1.25 -4.92 115.22 117.09 2oat n HIS 408 Ca 0.03 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.58 2oat n HIS 408 Cb 0.24 0.00 0.38 0.00 1.12 0.00 0.00 29.99 31.73 2oat n HIS 408 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2oat n GLY 409 N 0.00 -1.07 0.00 -1.41 0.00 -1.26 -3.50 105.19 97.95 2oat n GLY 409 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2oat n GLY 409 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2oat n ASP 410 N -1.86 0.97 -4.20 1.61 5.75 -1.26 -1.28 116.55 116.28 2oat n ASP 410 Ca 0.02 -1.27 -0.31 0.00 -0.01 0.00 0.00 54.79 53.22 2oat n ASP 410 Cb 0.17 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.09 2oat n ASP 410 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2oat s ILE 411 N -0.27 1.98 -0.11 2.12 1.01 -1.23 0.48 121.20 125.19 2oat s ILE 411 Ca 0.00 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 59.71 2oat s ILE 411 Cb 0.00 -1.72 -0.00 0.00 0.01 0.00 0.00 42.46 40.75 2oat s ILE 411 CO 0.00 0.54 -0.21 -0.63 0.00 0.00 0.00 174.94 174.64 2oat s ILE 412 N 0.38 2.29 0.05 2.92 1.01 -0.15 -0.09 121.20 127.62 2oat s ILE 412 Ca -0.18 -0.93 -0.20 0.00 0.00 0.00 0.00 60.65 59.33 2oat s ILE 412 Cb -0.18 -1.90 -0.06 0.00 0.01 0.00 0.00 42.46 40.33 2oat s ILE 412 CO 0.08 0.55 0.59 -0.60 0.00 0.00 0.00 174.94 175.57 2oat s ARG 413 N 0.38 4.27 -0.26 2.79 3.52 -1.18 -0.67 118.95 127.80 2oat s ARG 413 Ca -0.16 0.77 0.01 0.00 -0.13 0.00 0.00 55.73 56.21 2oat s ARG 413 Cb -0.17 -3.28 0.07 0.00 -1.56 0.00 0.00 34.95 30.01 2oat s ARG 413 CO 0.07 0.53 -0.02 -0.06 -0.81 0.00 0.00 175.30 175.02 2oat s PHE 414 N -0.76 2.50 -0.42 5.12 0.08 0.57 -4.35 117.98 120.72 2oat s PHE 414 Ca 0.30 -1.94 0.05 0.00 0.12 0.00 0.00 56.93 55.46 2oat s PHE 414 Cb -0.19 -1.80 0.18 0.00 -0.57 0.00 0.00 43.02 40.64 2oat s PHE 414 CO 0.19 -0.82 0.42 0.00 -0.10 0.00 0.00 175.22 174.91 2oat n ALA 415 N 4.63 2.11 -1.85 5.36 0.00 -0.29 -2.06 120.51 128.42 2oat n ALA 415 Ca -0.08 -2.82 -0.31 0.00 0.00 0.00 0.00 53.44 50.23 2oat n ALA 415 Cb 0.43 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.02 2oat n ALA 415 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2oat s PRO 416 N 0.08 3.64 0.48 0.00 0.04 -1.26 -3.05 135.00 134.93 2oat s PRO 416 Ca 0.33 0.82 -0.23 0.00 0.04 0.00 0.00 61.00 61.96 2oat s PRO 416 Cb 0.05 -2.09 -0.08 0.00 0.04 0.00 0.00 34.50 32.42 2oat s PRO 416 CO -0.17 -0.53 1.07 -2.30 0.04 0.00 0.00 177.00 175.11 2oat n PRO 417 N -2.48 1.36 0.00 0.56 -0.02 -1.26 -4.85 135.00 128.31 2oat n PRO 417 Ca 0.06 0.50 0.09 0.00 -2.02 0.00 0.00 63.50 62.13 2oat n PRO 417 Cb 0.54 -2.18 0.44 0.00 -0.02 0.00 0.00 33.50 32.28 2oat n PRO 417 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2oat n LEU 418 N -0.02 0.00 -0.17 2.45 4.77 0.79 -2.50 117.00 122.31 2oat n LEU 418 Ca 0.10 0.35 0.14 0.00 -0.03 0.00 0.00 56.01 56.57 2oat n LEU 418 Cb 0.42 -0.35 0.64 0.00 -2.33 0.00 0.00 43.42 41.81 2oat n LEU 418 CO 0.55 -0.13 0.90 1.33 -1.33 0.00 0.00 177.39 178.71 2oat n VAL 419 N -1.35 0.00 -1.62 4.08 0.24 -1.25 -4.65 118.33 113.79 2oat n VAL 419 Ca 0.08 -0.09 -0.39 0.00 -2.04 0.00 0.00 64.34 61.90 2oat n VAL 419 Cb 0.17 -0.03 0.04 0.00 -1.47 0.00 0.00 33.84 32.55 2oat n VAL 419 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2oat n ILE 420 N -0.73 3.36 -3.79 1.34 3.06 -1.04 -4.98 119.36 116.58 2oat n ILE 420 Ca 0.17 -0.50 -0.21 0.00 -2.50 0.00 0.00 62.75 59.71 2oat n ILE 420 Cb 0.27 -1.19 -0.02 0.00 0.54 0.00 0.00 39.64 39.24 2oat n ILE 420 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 2oat s LYS 421 N -2.57 3.01 0.24 9.51 1.02 -1.26 -4.97 119.74 124.72 2oat s LYS 421 Ca 0.72 -1.07 -0.06 0.00 0.02 0.00 0.00 55.97 55.58 2oat s LYS 421 Cb -0.45 -2.67 0.29 0.00 -0.52 0.00 0.00 37.83 34.48 2oat s LYS 421 CO 0.50 0.20 1.87 1.49 -0.92 0.00 0.00 175.35 178.49 2oat h GLU 422 N 1.17 1.03 -0.58 1.68 4.81 -1.99 -0.06 114.58 120.64 2oat h GLU 422 Ca -0.47 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 58.60 2oat h GLU 422 Cb 1.25 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 2oat h GLU 422 CO 0.58 0.68 -0.01 0.38 -0.73 0.00 0.00 179.01 179.90 2oat h ASP 423 N 1.06 1.00 -0.66 1.04 2.03 -1.99 -0.85 116.42 118.04 2oat h ASP 423 Ca 0.36 -0.28 -0.07 0.00 -0.73 0.00 0.00 57.03 56.31 2oat h ASP 423 Cb 0.06 -0.27 -0.03 0.00 -0.83 0.00 0.00 39.33 38.26 2oat h ASP 423 CO -0.14 1.05 0.15 -0.33 -1.03 0.00 0.00 179.24 178.95 2oat h GLU 424 N 0.93 1.08 -0.47 4.15 5.08 -1.84 0.06 114.58 123.56 2oat h GLU 424 Ca 0.17 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 2oat h GLU 424 Cb 0.55 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2oat h GLU 424 CO 0.03 0.97 0.19 1.25 -1.00 0.00 0.00 179.01 180.45 2oat h LEU 425 N 1.03 0.65 -1.08 1.33 5.85 -0.69 -0.12 115.31 122.29 2oat h LEU 425 Ca 0.21 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.68 2oat h LEU 425 Cb 0.38 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2oat h LEU 425 CO 0.00 0.64 -0.31 0.03 -0.34 0.00 0.00 178.44 178.47 2oat h ARG 426 N 0.63 0.27 -0.59 1.25 3.08 -0.82 0.13 114.38 118.32 2oat h ARG 426 Ca 0.16 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 2oat h ARG 426 Cb 0.19 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 2oat h ARG 426 CO -0.01 0.55 0.20 1.49 -1.07 0.00 0.00 179.97 181.13 2oat h GLU 427 N 0.24 0.91 -0.68 0.04 4.81 -0.66 -1.07 114.58 118.17 2oat h GLU 427 Ca 0.03 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.05 2oat h GLU 427 Cb 0.67 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 2oat h GLU 427 CO 0.05 0.80 0.32 0.77 -0.73 0.00 0.00 179.01 180.22 2oat h SER 428 N 0.83 0.89 -0.44 1.04 0.02 -0.23 -1.98 113.55 113.69 2oat h SER 428 Ca 0.19 -0.14 0.03 0.00 -0.84 0.00 0.00 61.79 61.04 2oat h SER 428 Cb 0.26 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 2oat h SER 428 CO -0.01 0.78 0.23 0.40 -1.14 0.00 0.00 176.83 177.09 2oat h ILE 429 N 0.94 1.00 -0.70 3.27 2.04 -0.44 0.48 117.51 124.10 2oat h ILE 429 Ca 0.23 -0.16 0.06 0.00 1.00 0.00 0.00 64.86 65.99 2oat h ILE 429 Cb 0.13 0.49 -0.06 0.00 -0.74 0.00 0.00 36.82 36.64 2oat h ILE 429 CO -0.03 0.09 0.39 -0.33 0.00 0.00 0.00 178.15 178.27 2oat h GLU 430 N 0.47 0.70 -0.55 2.37 4.39 -0.81 0.23 114.58 121.38 2oat h GLU 430 Ca 0.18 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.86 2oat h GLU 430 Cb 0.07 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 2oat h GLU 430 CO -0.11 0.46 0.34 0.82 -1.16 0.00 0.00 179.01 179.36 2oat h ILE 431 N 0.72 1.08 -0.32 3.13 2.04 -0.63 0.58 117.51 124.12 2oat h ILE 431 Ca 0.32 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.91 2oat h ILE 431 Cb 0.21 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 2oat h ILE 431 CO -0.19 0.12 0.08 0.40 0.00 0.00 0.00 178.15 178.57 2oat h ILE 432 N 0.68 1.22 0.04 -0.67 2.04 0.22 -1.30 117.51 119.73 2oat h ILE 432 Ca 0.21 -0.72 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 2oat h ILE 432 Cb -0.01 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2oat h ILE 432 CO -0.08 0.24 -0.02 0.78 0.00 0.00 0.00 178.15 179.07 2oat h ASN 433 N 0.35 -0.04 -0.48 1.72 2.35 -0.38 -0.61 115.58 118.48 2oat h ASN 433 Ca 0.10 -0.04 0.09 0.00 -0.55 0.00 0.00 56.30 55.90 2oat h ASN 433 Cb 0.28 0.01 -0.08 0.00 0.05 0.00 0.00 38.32 38.59 2oat h ASN 433 CO 0.00 0.01 0.01 0.50 -1.65 0.00 0.00 177.43 176.29 2oat h LYS 434 N -0.09 0.12 0.31 0.81 3.64 -0.80 0.62 116.57 121.18 2oat h LYS 434 Ca -0.01 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 2oat h LYS 434 Cb 0.08 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2oat h LYS 434 CO 0.01 0.08 -0.15 1.15 -2.27 0.00 0.00 179.45 178.27 2oat h THR 435 N 0.12 0.71 -0.31 1.00 2.02 -1.00 -1.61 112.91 113.85 2oat h THR 435 Ca 0.24 -0.34 0.04 0.00 0.77 0.00 0.00 66.41 67.12 2oat h THR 435 Cb 0.36 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 2oat h THR 435 CO -0.40 0.07 0.09 0.40 0.37 0.00 0.00 175.52 176.06 2oat h ILE 436 N -0.60 0.90 0.00 3.11 1.08 -0.89 -2.22 117.51 118.88 2oat h ILE 436 Ca -0.04 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 2oat h ILE 436 Cb 0.44 0.65 0.00 0.00 -3.07 0.00 0.00 36.82 34.84 2oat h ILE 436 CO 0.07 0.04 0.00 -0.07 -0.69 0.00 0.00 178.15 177.50 2oat h LEU 437 N 0.22 0.00 -0.09 1.44 3.38 -0.89 -3.18 115.31 116.20 2oat h LEU 437 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2oat h LEU 437 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2oat h LEU 437 CO -0.16 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.83 2oat n SER 438 N -2.61 0.08 -0.25 -0.43 3.41 -0.61 -5.08 113.62 108.14 2oat n SER 438 Ca 0.02 0.52 0.15 0.00 -0.26 0.00 0.00 58.87 59.30 2oat n SER 438 Cb 0.31 -0.54 0.73 0.00 -0.26 0.00 0.00 64.21 64.46 2oat n SER 438 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37