#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ija s GLN 2 N 0.00 3.18 -0.23 2.12 1.11 -1.26 -4.95 119.66 119.63 1ija s GLN 2 Ca 0.00 0.94 -0.27 0.00 0.01 0.00 0.00 55.36 56.04 1ija s GLN 2 Cb 0.00 -4.20 0.00 0.00 -1.01 0.00 0.00 33.01 27.80 1ija s GLN 2 CO 0.00 -2.05 0.95 0.00 0.01 0.00 0.00 175.29 174.20 1ija s ALA 3 N 7.06 3.67 -0.28 6.09 0.00 -1.26 -4.90 121.76 132.14 1ija s ALA 3 Ca 0.68 0.05 0.21 0.00 0.00 0.00 0.00 51.96 52.90 1ija s ALA 3 Cb -0.16 -3.44 0.50 0.00 0.00 0.00 0.00 23.12 20.02 1ija s ALA 3 CO 0.28 -0.99 1.12 0.36 0.00 0.00 0.00 175.76 176.54 1ija n LYS 4 N 6.17 1.62 0.00 0.00 2.85 -1.26 -5.08 118.16 122.46 1ija n LYS 4 Ca 0.09 -3.29 0.00 0.00 -1.05 0.00 0.00 58.31 54.06 1ija n LYS 4 Cb 0.47 -1.40 0.00 0.00 -0.65 0.00 0.00 35.03 33.45 1ija n LYS 4 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1ija n PRO 5 N -0.60 1.24 -2.56 -1.58 -0.04 -1.26 -4.79 135.00 125.41 1ija n PRO 5 Ca 0.05 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.10 1ija n PRO 5 Cb 0.81 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.24 1ija n PRO 5 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1ija s GLN 6 N 0.00 3.41 -0.33 0.54 -0.21 -1.26 -4.89 119.66 116.92 1ija s GLN 6 Ca 0.00 -0.72 -0.01 0.00 0.02 0.00 0.00 55.36 54.65 1ija s GLN 6 Cb 0.00 -4.82 0.13 0.00 1.00 0.00 0.00 33.01 29.32 1ija s GLN 6 CO 0.00 -2.18 0.22 0.42 -2.12 0.00 0.00 175.29 171.62 1ija s ILE 7 N 5.33 -0.05 1.10 1.08 -1.09 -1.26 -4.98 121.20 121.33 1ija s ILE 7 Ca 0.41 -1.19 -0.18 0.00 -2.23 0.00 0.00 60.65 57.46 1ija s ILE 7 Cb -0.04 -1.00 0.10 0.00 -1.58 0.00 0.00 42.46 39.94 1ija s ILE 7 CO 0.01 -0.80 0.04 -2.65 -1.23 0.00 0.00 174.94 170.32 1ija n PRO 8 N 4.57 -1.45 -0.00 2.79 -0.02 -1.26 -4.94 135.00 134.68 1ija n PRO 8 Ca 0.05 -0.40 0.09 0.00 -2.02 0.00 0.00 63.50 61.22 1ija n PRO 8 Cb 0.41 -1.71 -0.13 0.00 -0.02 0.00 0.00 33.50 32.04 1ija n PRO 8 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1ija n LYS 9 N -2.01 0.66 -2.42 -0.52 4.01 -1.26 -4.78 118.16 111.84 1ija n LYS 9 Ca 0.01 -0.09 -0.42 0.00 -0.51 0.00 0.00 58.31 57.30 1ija n LYS 9 Cb 0.61 -1.43 -0.02 0.00 -0.51 0.00 0.00 35.03 33.68 1ija n LYS 9 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1ija s ASP 10 N -3.52 6.29 0.00 4.39 1.11 -1.26 -4.83 116.67 118.85 1ija s ASP 10 Ca 0.00 0.47 0.01 0.00 0.18 0.00 0.00 52.55 53.21 1ija s ASP 10 Cb 0.13 -2.55 0.04 0.00 1.07 0.00 0.00 42.92 41.62 1ija s ASP 10 CO 0.80 -1.54 0.71 0.29 1.18 0.00 0.00 175.17 176.61 1ija n LYS 11 N 8.34 0.02 -2.11 8.23 4.01 -1.26 -1.82 118.16 133.57 1ija n LYS 11 Ca 0.13 0.17 -0.27 0.00 -0.51 0.00 0.00 58.31 57.83 1ija n LYS 11 Cb 0.49 -1.50 0.02 0.00 -0.51 0.00 0.00 35.03 33.53 1ija n LYS 11 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 1ija n SER 12 N -1.17 5.30 -3.69 4.39 3.41 -1.26 -4.71 113.62 115.88 1ija n SER 12 Ca 0.00 -3.75 -0.11 0.00 -0.26 0.00 0.00 58.87 54.76 1ija n SER 12 Cb 0.00 -0.49 -0.11 0.00 -0.26 0.00 0.00 64.21 63.35 1ija n SER 12 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1ija s LYS 13 N -3.63 0.34 0.90 4.33 2.20 -0.75 -5.15 119.74 117.98 1ija s LYS 13 Ca 0.51 0.77 -0.12 0.00 -0.36 0.00 0.00 55.97 56.77 1ija s LYS 13 Cb 0.42 0.00 0.07 0.00 -1.51 0.00 0.00 37.83 36.81 1ija s LYS 13 CO -0.08 -0.18 0.72 0.28 -0.36 0.00 0.00 175.35 175.73 1ija n VAL 14 N 4.47 0.40 -1.04 4.02 0.31 -1.26 -4.36 118.33 120.88 1ija n VAL 14 Ca -0.21 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 1ija n VAL 14 Cb 0.54 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.66 1ija n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ija n ALA 15 N -3.64 0.24 0.00 3.52 0.00 -1.01 -4.86 120.51 114.76 1ija n ALA 15 Ca 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1ija n ALA 15 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1ija n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ija n GLY 16 N 0.00 -1.50 3.21 0.00 0.00 -1.25 -4.67 105.19 100.98 1ija n GLY 16 Ca 0.00 -1.03 -0.11 0.00 0.00 0.00 0.00 46.02 44.88 1ija n GLY 16 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ija s TYR 17 N -2.46 -0.58 0.09 1.61 1.51 -1.10 -2.99 117.35 113.44 1ija s TYR 17 Ca 0.00 1.22 -0.06 0.00 -1.01 0.00 0.00 57.07 57.22 1ija s TYR 17 Cb 0.00 0.21 -0.05 0.00 -0.11 0.00 0.00 41.96 42.00 1ija s TYR 17 CO 0.00 -0.36 0.36 -1.50 -1.11 0.00 0.00 175.55 172.94 1ija s ILE 18 N 1.75 5.18 -0.14 2.71 2.07 -0.72 -0.53 121.20 131.52 1ija s ILE 18 Ca -0.07 0.17 -0.10 0.00 -1.41 0.00 0.00 60.65 59.24 1ija s ILE 18 Cb -0.10 -3.62 0.04 0.00 0.13 0.00 0.00 42.46 38.92 1ija s ILE 18 CO -0.12 0.18 0.35 -0.70 -1.91 0.00 0.00 174.94 172.75 1ija s GLU 19 N -2.25 0.37 -0.10 3.50 2.12 -0.93 -2.64 118.70 118.77 1ija s GLU 19 Ca 0.36 0.60 -0.04 0.00 0.36 0.00 0.00 54.97 56.24 1ija s GLU 19 Cb -0.13 0.07 0.05 0.00 0.26 0.00 0.00 34.13 34.38 1ija s GLU 19 CO 0.21 -0.11 0.22 0.42 -0.54 0.00 0.00 175.26 175.46 1ija s ILE 20 N 0.79 -0.21 0.05 -3.70 1.01 -0.50 -2.07 121.20 116.58 1ija s ILE 20 Ca -0.05 0.24 -0.16 0.00 0.00 0.00 0.00 60.65 60.68 1ija s ILE 20 Cb -0.06 -0.36 -0.24 0.00 0.01 0.00 0.00 42.46 41.81 1ija s ILE 20 CO -0.06 0.10 1.15 1.55 0.00 0.00 0.00 174.94 177.68 1ija h PRO 21 N 7.79 0.62 0.00 2.79 0.13 -1.86 0.88 132.00 142.34 1ija h PRO 21 Ca -0.27 -0.68 0.00 0.00 -0.87 0.00 0.00 66.00 64.18 1ija h PRO 21 Cb 1.13 0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1ija h PRO 21 CO 0.26 1.28 0.32 -0.44 -0.23 0.00 0.00 178.00 179.19 1ija h ASP 22 N 0.24 0.00 0.00 1.44 3.32 -1.97 0.11 116.42 119.57 1ija h ASP 22 Ca -0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1ija h ASP 22 Cb 1.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.18 1ija h ASP 22 CO 0.19 0.00 -0.09 0.00 -1.72 0.00 0.00 179.24 177.62 1ija n ALA 23 N -1.76 1.72 -3.74 3.45 0.00 -1.19 -4.13 120.51 114.86 1ija n ALA 23 Ca -0.02 -1.12 -0.27 0.00 0.00 0.00 0.00 53.44 52.03 1ija n ALA 23 Cb 0.35 -0.15 -0.04 0.00 0.00 0.00 0.00 19.45 19.61 1ija n ALA 23 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ija n ASP 24 N -0.41 -2.06 -4.82 0.00 5.68 0.39 -4.72 116.55 110.61 1ija n ASP 24 Ca 0.03 -0.59 -0.38 0.00 -0.50 0.00 0.00 54.79 53.35 1ija n ASP 24 Cb 0.48 -1.79 -0.06 0.00 -1.14 0.00 0.00 41.12 38.61 1ija n ASP 24 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1ija s ILE 25 N -2.85 4.84 -0.40 2.12 1.01 0.15 -4.69 121.20 121.39 1ija s ILE 25 Ca 0.52 1.04 0.02 0.00 0.00 0.00 0.00 60.65 62.22 1ija s ILE 25 Cb -0.30 -3.82 0.19 0.00 0.01 0.00 0.00 42.46 38.54 1ija s ILE 25 CO 0.64 0.50 0.81 -1.59 0.00 0.00 0.00 174.94 175.30 1ija s LYS 26 N -1.27 0.63 0.07 2.79 -2.85 -1.26 -1.41 119.74 116.45 1ija s LYS 26 Ca 0.29 -0.36 0.01 0.00 -1.00 0.00 0.00 55.97 54.91 1ija s LYS 26 Cb -0.18 0.04 -0.04 0.00 -2.06 0.00 0.00 37.83 35.59 1ija s LYS 26 CO 0.18 -0.87 -0.05 -1.21 0.10 0.00 0.00 175.35 173.50 1ija s GLU 27 N 1.59 0.71 0.59 1.78 0.41 -1.08 -4.98 118.70 117.72 1ija s GLU 27 Ca 0.19 -1.24 -0.06 0.00 -0.41 0.00 0.00 54.97 53.45 1ija s GLU 27 Cb 0.01 -0.03 0.00 0.00 -1.78 0.00 0.00 34.13 32.32 1ija s GLU 27 CO -0.09 -0.05 0.91 -1.25 -0.49 0.00 0.00 175.26 174.29 1ija s PRO 28 N -3.67 3.01 -0.15 0.39 0.04 -1.26 -1.76 135.00 131.60 1ija s PRO 28 Ca 0.08 0.09 -0.03 0.00 0.04 0.00 0.00 61.00 61.18 1ija s PRO 28 Cb 0.05 -2.25 0.05 0.00 0.04 0.00 0.00 34.50 32.39 1ija s PRO 28 CO -0.06 -0.67 0.04 0.08 0.04 0.00 0.00 177.00 176.43 1ija s VAL 29 N -3.00 0.33 0.56 -0.36 1.01 -1.16 -3.62 120.40 114.15 1ija s VAL 29 Ca 0.54 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 62.28 1ija s VAL 29 Cb -0.11 -0.75 0.03 0.00 0.00 0.00 0.00 36.38 35.55 1ija s VAL 29 CO 0.46 -0.06 0.81 -0.31 0.00 0.00 0.00 175.10 175.99 1ija s TYR 30 N 1.96 2.98 -0.14 5.22 1.51 -1.15 -2.41 117.35 125.33 1ija s TYR 30 Ca 0.02 0.18 -0.28 0.00 -1.01 0.00 0.00 57.07 55.98 1ija s TYR 30 Cb -0.15 -2.74 -0.01 0.00 -0.11 0.00 0.00 41.96 38.95 1ija s TYR 30 CO -0.07 -0.85 0.93 -1.25 -1.11 0.00 0.00 175.55 173.20 1ija s PRO 31 N -4.82 4.36 0.00 -1.71 0.04 -1.26 -3.19 135.00 128.42 1ija s PRO 31 Ca 0.56 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1ija s PRO 31 Cb -0.10 -3.56 0.00 0.00 0.04 0.00 0.00 34.50 30.88 1ija s PRO 31 CO 0.40 -0.33 0.00 0.41 0.04 0.00 0.00 177.00 177.52 1ija n GLY 32 N 3.25 1.48 3.64 0.56 0.00 -1.26 -4.31 105.19 108.56 1ija n GLY 32 Ca 0.07 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 1ija n GLY 32 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ija s PRO 33 N -2.00 4.09 -0.88 1.61 0.04 -1.26 -3.08 135.00 133.52 1ija s PRO 33 Ca 0.00 1.25 -0.13 0.00 0.04 0.00 0.00 61.00 62.15 1ija s PRO 33 Cb 0.00 -3.75 -0.26 0.00 0.04 0.00 0.00 34.50 30.52 1ija s PRO 33 CO 0.00 -0.87 2.14 0.00 0.04 0.00 0.00 177.00 178.31 1ija n ALA 34 N 6.89 0.86 -2.44 8.56 0.00 -0.96 -4.83 120.51 128.58 1ija n ALA 34 Ca 0.13 -1.02 -0.24 0.00 0.00 0.00 0.00 53.44 52.31 1ija n ALA 34 Cb 0.46 -2.53 -0.11 0.00 0.00 0.00 0.00 19.45 17.27 1ija n ALA 34 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ija s THR 35 N 4.40 2.05 0.14 0.00 -4.23 -1.26 -4.98 115.64 111.76 1ija s THR 35 Ca 1.12 -2.01 -0.18 0.00 -1.18 0.00 0.00 61.69 59.44 1ija s THR 35 Cb -0.58 -1.98 -0.03 0.00 1.34 0.00 0.00 72.50 71.25 1ija s THR 35 CO 0.39 -0.26 1.76 1.55 -0.54 0.00 0.00 174.62 177.52 1ija h PRO 36 N 3.13 0.23 0.00 3.99 0.13 -1.97 0.22 132.00 137.73 1ija h PRO 36 Ca -0.43 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ija h PRO 36 Cb 1.21 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1ija h PRO 36 CO 0.51 0.15 0.00 1.05 -0.23 0.00 0.00 178.00 179.48 1ija h GLU 37 N 0.24 0.00 0.00 0.86 4.11 -1.96 -1.70 114.58 116.12 1ija h GLU 37 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.54 1ija h GLU 37 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1ija h GLU 37 CO -0.10 0.00 -0.02 0.37 0.07 0.00 0.00 179.01 179.33 1ija h GLN 38 N 0.00 0.00 0.00 1.06 5.75 -1.40 -3.35 115.11 117.17 1ija h GLN 38 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1ija h GLN 38 Cb 0.15 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.70 1ija h GLN 38 CO 0.00 0.00 0.07 1.28 -2.65 0.00 0.00 178.83 177.53 1ija n LEU 39 N -2.36 0.00 0.25 -2.39 4.77 0.60 -1.54 117.00 116.34 1ija n LEU 39 Ca -0.00 0.12 0.11 0.00 -0.03 0.00 0.00 56.01 56.21 1ija n LEU 39 Cb 0.01 -0.12 0.72 0.00 -2.33 0.00 0.00 43.42 41.70 1ija n LEU 39 CO 0.00 -0.12 1.09 0.78 -1.33 0.00 0.00 177.39 177.82 1ija h ASN 40 N 0.00 0.00 1.16 -1.43 4.21 -1.44 0.17 115.58 118.25 1ija h ASN 40 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1ija h ASN 40 Cb 0.14 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.34 1ija h ASN 40 CO 0.00 0.00 -0.74 0.08 -1.29 0.00 0.00 177.43 175.48 1ija h ARG 41 N 0.00 0.00 0.00 0.81 -0.00 -1.54 -3.50 114.38 110.15 1ija h ARG 41 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.00 1ija h ARG 41 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.05 1ija h ARG 41 CO -0.00 0.00 0.00 0.41 -0.00 0.00 0.00 179.97 180.38 1ija n GLY 42 N 1.20 -0.53 3.91 0.08 0.00 0.60 -5.08 105.19 105.37 1ija n GLY 42 Ca 0.01 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 1ija n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ija s VAL 43 N 0.00 5.06 -0.00 1.61 1.01 -1.24 -4.37 120.40 122.47 1ija s VAL 43 Ca 0.00 -0.93 -0.23 0.00 0.00 0.00 0.00 61.98 60.82 1ija s VAL 43 Cb 0.00 -3.66 0.05 0.00 0.00 0.00 0.00 36.38 32.77 1ija s VAL 43 CO 0.00 -0.20 0.51 -0.44 0.00 0.00 0.00 175.10 174.97 1ija s SER 44 N -3.52 -0.44 1.18 3.32 0.01 -1.19 -2.92 113.70 110.14 1ija s SER 44 Ca 0.34 0.33 -0.16 0.00 1.31 0.00 0.00 55.95 57.77 1ija s SER 44 Cb -0.10 0.46 0.22 0.00 0.21 0.00 0.00 66.02 66.81 1ija s SER 44 CO 0.27 -0.60 0.57 0.49 0.41 0.00 0.00 173.24 174.37 1ija n PHE 45 N 0.82 -1.49 1.61 2.43 3.72 -1.19 -2.36 117.46 121.00 1ija n PHE 45 Ca -0.19 -0.07 0.15 0.00 -0.05 0.00 0.00 57.45 57.28 1ija n PHE 45 Cb 0.58 -1.61 0.78 0.00 -0.94 0.00 0.00 39.48 38.28 1ija n PHE 45 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ija n ALA 46 N -4.83 2.62 -3.33 4.37 0.00 0.44 -2.27 120.51 117.51 1ija n ALA 46 Ca 0.02 -0.20 -0.15 0.00 0.00 0.00 0.00 53.44 53.10 1ija n ALA 46 Cb 0.58 -1.45 -0.07 0.00 0.00 0.00 0.00 19.45 18.50 1ija n ALA 46 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ija s GLU 47 N -2.34 0.83 0.21 0.00 2.02 -1.25 -3.97 118.70 114.20 1ija s GLU 47 Ca 0.35 -0.05 -0.09 0.00 0.02 0.00 0.00 54.97 55.20 1ija s GLU 47 Cb 0.21 0.38 0.15 0.00 0.10 0.00 0.00 34.13 34.97 1ija s GLU 47 CO 0.43 -0.25 1.79 1.05 0.02 0.00 0.00 175.26 178.30 1ija h GLU 48 N 3.47 1.13 -0.75 1.61 4.11 -1.86 -2.66 114.58 119.64 1ija h GLU 48 Ca -0.29 -0.18 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1ija h GLU 48 Cb 1.17 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1ija h GLU 48 CO 0.40 0.90 0.00 -1.71 0.07 0.00 0.00 179.01 178.67 1ija n ASN 49 N -4.34 2.84 -4.77 3.06 4.05 -1.26 -4.13 115.26 110.71 1ija n ASN 49 Ca 0.07 -2.34 -0.41 0.00 0.45 0.00 0.00 54.58 52.35 1ija n ASN 49 Cb 0.16 -0.53 -0.01 0.00 1.23 0.00 0.00 39.78 40.63 1ija n ASN 49 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 177.26 173.51 1ija s GLU 50 N -1.73 4.20 0.02 1.20 2.56 -1.00 -5.01 118.70 118.94 1ija s GLU 50 Ca 0.23 2.44 -0.10 0.00 0.00 0.00 0.00 54.97 57.54 1ija s GLU 50 Cb 0.17 -3.01 0.01 0.00 2.00 0.00 0.00 34.13 33.29 1ija s GLU 50 CO 0.08 -0.42 0.19 -1.12 -0.56 0.00 0.00 175.26 173.44 1ija s SER 51 N -0.19 -0.00 0.00 -1.70 0.01 -1.26 -4.98 113.70 105.57 1ija s SER 51 Ca 0.52 -0.25 0.01 0.00 1.31 0.00 0.00 55.95 57.54 1ija s SER 51 Cb -0.44 0.27 0.03 0.00 0.21 0.00 0.00 66.02 66.08 1ija s SER 51 CO 0.58 -0.48 0.81 0.18 0.41 0.00 0.00 173.24 174.73 1ija n LEU 52 N 1.02 0.00 0.08 2.44 7.99 -1.26 -0.81 117.00 126.46 1ija n LEU 52 Ca -0.21 0.28 -0.09 0.00 -0.01 0.00 0.00 56.01 55.99 1ija n LEU 52 Cb 0.57 -0.28 -0.01 0.00 -0.11 0.00 0.00 43.42 43.59 1ija n LEU 52 CO 0.22 -0.28 0.26 0.44 -1.51 0.00 0.00 177.39 176.51 1ija h ASP 53 N 0.00 0.28 -2.01 -1.43 5.19 -1.97 -3.43 116.42 113.05 1ija h ASP 53 Ca 0.00 -0.23 -0.58 0.00 -0.62 0.00 0.00 57.03 55.60 1ija h ASP 53 Cb 0.01 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.43 1ija h ASP 53 CO 0.00 1.02 1.47 0.47 -3.12 0.00 0.00 179.24 179.08 1ija n ASP 54 N -3.68 3.35 0.16 6.45 8.00 0.01 -4.74 116.55 126.11 1ija n ASP 54 Ca -0.04 0.28 0.05 0.00 0.71 0.00 0.00 54.79 55.79 1ija n ASP 54 Cb 0.80 -1.55 0.25 0.00 -0.02 0.00 0.00 41.12 40.60 1ija n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ija n GLN 55 N 8.62 0.07 -3.93 -1.24 3.00 -1.26 -3.59 117.38 119.04 1ija n GLN 55 Ca 0.29 0.54 -0.30 0.00 -0.01 0.00 0.00 57.00 57.51 1ija n GLN 55 Cb 0.44 -2.15 -0.15 0.00 0.00 0.00 0.00 30.24 28.38 1ija n GLN 55 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 1ija s ASN 56 N -3.14 3.96 -0.30 1.08 2.47 -1.26 -2.81 114.94 114.93 1ija s ASN 56 Ca -0.01 -1.32 -0.17 0.00 0.42 0.00 0.00 52.86 51.78 1ija s ASN 56 Cb 0.03 -1.20 -0.02 0.00 -1.45 0.00 0.00 41.25 38.61 1ija s ASN 56 CO 0.08 -0.27 0.45 -0.63 -3.72 0.00 0.00 177.10 173.02 1ija s ILE 57 N 1.37 5.09 -0.36 -5.21 1.01 -1.18 -4.97 121.20 116.95 1ija s ILE 57 Ca -0.03 0.50 -0.07 0.00 0.00 0.00 0.00 60.65 61.05 1ija s ILE 57 Cb -0.19 -3.84 0.05 0.00 0.01 0.00 0.00 42.46 38.49 1ija s ILE 57 CO -0.08 -0.02 0.14 -0.44 0.00 0.00 0.00 174.94 174.54 1ija s SER 58 N 1.67 5.41 0.27 3.58 0.01 -1.26 -0.78 113.70 122.61 1ija s SER 58 Ca 0.17 -1.20 0.07 0.00 1.31 0.00 0.00 55.95 56.30 1ija s SER 58 Cb -0.16 -1.90 -0.03 0.00 0.21 0.00 0.00 66.02 64.13 1ija s SER 58 CO 0.11 -0.37 0.20 -0.63 0.41 0.00 0.00 173.24 172.96 1ija s ILE 59 N 1.42 4.15 -0.02 1.44 1.01 -0.87 0.17 121.20 128.50 1ija s ILE 59 Ca -0.00 -1.45 0.03 0.00 0.00 0.00 0.00 60.65 59.22 1ija s ILE 59 Cb -0.20 -3.30 -0.00 0.00 0.01 0.00 0.00 42.46 38.97 1ija s ILE 59 CO 0.03 -0.31 -0.09 0.00 0.00 0.00 0.00 174.94 174.57 1ija s ALA 60 N -2.19 0.81 -0.01 9.38 0.00 -0.99 0.14 121.76 128.90 1ija s ALA 60 Ca 0.34 -0.35 -0.08 0.00 0.00 0.00 0.00 51.96 51.88 1ija s ALA 60 Cb -0.07 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.78 1ija s ALA 60 CO 0.25 0.15 0.16 0.20 0.00 0.00 0.00 175.76 176.52 1ija s GLY 61 N 0.05 -0.01 0.00 0.00 0.00 -0.14 -3.16 107.32 104.06 1ija s GLY 61 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.75 1ija s GLY 61 CO 0.00 -0.09 0.00 1.42 0.00 0.00 0.00 173.10 174.43 1ija n HIS 62 N 1.75 -2.07 -3.16 1.90 8.25 -1.26 0.40 115.22 121.03 1ija n HIS 62 Ca -0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 1ija n HIS 62 Cb 0.56 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.66 1ija n HIS 62 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1ija s THR 63 N -0.55 -1.00 -0.47 1.59 -1.32 -1.26 0.10 115.64 112.73 1ija s THR 63 Ca 0.00 -0.12 -0.23 0.00 -1.21 0.00 0.00 61.69 60.13 1ija s THR 63 Cb 0.00 -0.00 0.03 0.00 -1.51 0.00 0.00 72.50 71.02 1ija s THR 63 CO 0.00 -0.00 0.81 -0.36 -2.21 0.00 0.00 174.62 172.86 1ija s PHE 64 N 1.74 2.95 0.56 9.09 0.40 -1.26 -4.82 117.98 126.63 1ija s PHE 64 Ca 0.18 0.10 0.25 0.00 -0.60 0.00 0.00 56.93 56.86 1ija s PHE 64 Cb -0.04 -3.75 1.52 0.00 0.51 0.00 0.00 43.02 41.26 1ija s PHE 64 CO -0.07 -1.07 2.11 0.82 0.70 0.00 0.00 175.22 177.71 1ija h ILE 65 N 5.99 0.67 -0.09 0.64 2.04 -1.96 0.32 117.51 125.12 1ija h ILE 65 Ca -0.25 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1ija h ILE 65 Cb 1.08 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 1ija h ILE 65 CO 0.99 0.00 0.00 -0.67 0.00 0.00 0.00 178.15 178.47 1ija n ASP 66 N -4.13 0.75 -3.00 1.72 2.03 -1.26 -4.13 116.55 108.54 1ija n ASP 66 Ca 0.02 -2.03 -0.15 0.00 0.52 0.00 0.00 54.79 53.15 1ija n ASP 66 Cb 0.30 -0.16 -0.02 0.00 -0.72 0.00 0.00 41.12 40.52 1ija n ASP 66 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ija n ARG 67 N -0.15 0.57 0.00 -0.67 1.74 0.11 -4.99 116.66 113.27 1ija n ARG 67 Ca 0.03 -2.48 0.00 0.00 -0.77 0.00 0.00 57.85 54.64 1ija n ARG 67 Cb 0.14 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 1ija n ARG 67 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1ija n PRO 68 N 2.19 0.00 -3.08 5.56 -0.02 -1.25 -2.03 135.00 136.36 1ija n PRO 68 Ca 0.19 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.51 1ija n PRO 68 Cb 0.56 -1.12 -0.01 0.00 -0.02 0.00 0.00 33.50 32.91 1ija n PRO 68 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1ija n ASN 69 N -0.33 0.55 -3.51 2.55 0.23 -1.26 -4.50 115.26 108.98 1ija n ASN 69 Ca 0.00 -3.04 -0.26 0.00 -0.53 0.00 0.00 54.58 50.75 1ija n ASN 69 Cb 0.00 -0.34 -0.14 0.00 -2.08 0.00 0.00 39.78 37.22 1ija n ASN 69 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1ija s TYR 70 N -2.21 0.16 0.00 -2.53 5.04 -0.86 -4.75 117.35 112.20 1ija s TYR 70 Ca 0.37 -0.72 0.00 0.00 -2.44 0.00 0.00 57.07 54.27 1ija s TYR 70 Cb 0.36 -0.80 0.00 0.00 0.35 0.00 0.00 41.96 41.86 1ija s TYR 70 CO -0.06 -0.84 0.00 1.04 -1.34 0.00 0.00 175.55 174.34 1ija n GLN 71 N 5.26 0.00 -0.86 4.97 6.02 -1.26 -2.11 117.38 129.41 1ija n GLN 71 Ca -0.05 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.76 1ija n GLN 71 Cb 0.43 0.00 0.08 0.00 1.02 0.00 0.00 30.24 31.77 1ija n GLN 71 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1ija n PHE 72 N 13.92 1.89 0.17 1.08 7.35 0.29 -4.30 117.46 137.86 1ija n PHE 72 Ca 0.00 -1.74 0.04 0.00 -0.76 0.00 0.00 57.45 54.99 1ija n PHE 72 Cb 0.00 -0.86 0.25 0.00 0.35 0.00 0.00 39.48 39.22 1ija n PHE 72 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 1ija h THR 73 N 0.79 0.99 0.00 -2.13 2.02 -1.43 -3.35 112.91 109.79 1ija h THR 73 Ca 0.37 -1.78 0.00 0.00 0.77 0.00 0.00 66.41 65.77 1ija h THR 73 Cb 1.54 2.07 0.00 0.00 -1.74 0.00 0.00 68.15 70.01 1ija h THR 73 CO 0.80 0.44 0.00 0.59 0.37 0.00 0.00 175.52 177.73 1ija n ASN 74 N -3.52 0.18 0.19 4.18 4.13 -1.26 -4.76 115.26 114.40 1ija n ASN 74 Ca -0.00 -0.63 0.18 0.00 1.68 0.00 0.00 54.58 55.81 1ija n ASN 74 Cb 0.57 0.14 0.76 0.00 -1.54 0.00 0.00 39.78 39.72 1ija n ASN 74 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1ija h LEU 75 N 0.00 0.00 -0.23 3.41 5.85 -1.76 2.27 115.31 124.85 1ija h LEU 75 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ija h LEU 75 Cb 0.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1ija h LEU 75 CO 0.00 0.00 -0.03 2.29 -0.34 0.00 0.00 178.44 180.36 1ija n LYS 76 N -3.37 0.95 -0.03 1.25 -0.00 -1.26 -3.21 118.16 112.50 1ija n LYS 76 Ca 0.04 -0.23 -0.13 0.00 -0.00 0.00 0.00 58.31 57.98 1ija n LYS 76 Cb 0.53 -1.50 -0.14 0.00 -0.00 0.00 0.00 35.03 33.92 1ija n LYS 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ija n ALA 77 N -0.82 1.30 -0.24 0.58 0.00 0.76 -4.92 120.51 117.18 1ija n ALA 77 Ca 0.19 -0.78 -0.31 0.00 0.00 0.00 0.00 53.44 52.55 1ija n ALA 77 Cb 0.22 -0.70 0.30 0.00 0.00 0.00 0.00 19.45 19.26 1ija n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ija n ALA 78 N -2.74 -5.14 -2.94 0.00 0.00 -1.13 -4.95 120.51 103.61 1ija n ALA 78 Ca -0.24 -1.94 -0.10 0.00 0.00 0.00 0.00 53.44 51.15 1ija n ALA 78 Cb 1.06 -1.60 -0.06 0.00 0.00 0.00 0.00 19.45 18.85 1ija n ALA 78 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ija s LYS 79 N -5.04 1.50 0.54 0.00 1.02 -1.26 -5.07 119.74 111.44 1ija s LYS 79 Ca 0.67 -1.38 -0.19 0.00 0.02 0.00 0.00 55.97 55.09 1ija s LYS 79 Cb -0.12 0.42 -0.09 0.00 -0.52 0.00 0.00 37.83 37.52 1ija s LYS 79 CO 0.57 -0.60 0.57 1.63 -0.92 0.00 0.00 175.35 176.59 1ija n LYS 80 N -0.37 0.57 0.00 1.68 5.02 -1.26 -1.13 118.16 122.67 1ija n LYS 80 Ca -0.01 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1ija n LYS 80 Cb 0.63 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 1ija n LYS 80 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ija n GLY 81 N 1.74 3.10 3.57 0.72 0.00 0.11 -4.96 105.19 109.46 1ija n GLY 81 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1ija n GLY 81 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ija s SER 82 N -0.53 4.92 1.20 1.61 0.15 -0.29 -4.67 113.70 116.10 1ija s SER 82 Ca 0.00 1.15 -0.14 0.00 0.70 0.00 0.00 55.95 57.66 1ija s SER 82 Cb 0.00 -2.51 0.30 0.00 -1.71 0.00 0.00 66.02 62.10 1ija s SER 82 CO 0.00 -2.50 1.01 -0.04 1.20 0.00 0.00 173.24 172.92 1ija s MET 83 N 7.42 -1.24 -0.17 5.44 -1.94 -1.26 -3.08 119.30 124.47 1ija s MET 83 Ca 0.92 0.66 -0.05 0.00 -1.71 0.00 0.00 55.69 55.52 1ija s MET 83 Cb -0.20 -1.53 0.07 0.00 2.01 0.00 0.00 34.83 35.17 1ija s MET 83 CO 0.28 -3.89 0.12 0.08 -0.01 0.00 0.00 175.02 171.60 1ija s VAL 84 N -2.47 -0.15 -0.59 -6.03 1.01 -1.13 -4.78 120.40 106.24 1ija s VAL 84 Ca 0.68 -0.10 -0.21 0.00 0.00 0.00 0.00 61.98 62.35 1ija s VAL 84 Cb -0.23 -0.57 0.07 0.00 0.00 0.00 0.00 36.38 35.65 1ija s VAL 84 CO 0.63 -0.23 0.83 -0.31 0.00 0.00 0.00 175.10 176.03 1ija s TYR 85 N 2.19 2.85 -0.37 5.22 2.02 -0.88 -2.60 117.35 125.79 1ija s TYR 85 Ca 0.03 -0.52 -0.17 0.00 -0.37 0.00 0.00 57.07 56.04 1ija s TYR 85 Cb -0.16 -4.02 0.00 0.00 -0.40 0.00 0.00 41.96 37.38 1ija s TYR 85 CO -0.09 -1.38 0.45 0.12 -1.57 0.00 0.00 175.55 173.08 1ija s PHE 86 N 3.44 3.18 0.20 2.71 5.36 -1.05 -2.18 117.98 129.63 1ija s PHE 86 Ca 0.20 -0.03 -0.21 0.00 -0.96 0.00 0.00 56.93 55.94 1ija s PHE 86 Cb -0.18 -2.86 -0.08 0.00 -0.34 0.00 0.00 43.02 39.56 1ija s PHE 86 CO 0.12 -0.56 0.72 0.15 -1.46 0.00 0.00 175.22 174.19 1ija s LYS 87 N 2.23 4.31 -0.42 10.12 1.02 0.31 0.35 119.74 137.66 1ija s LYS 87 Ca 0.15 0.91 0.04 0.00 0.02 0.00 0.00 55.97 57.09 1ija s LYS 87 Cb -0.16 -2.99 0.17 0.00 -0.52 0.00 0.00 37.83 34.33 1ija s LYS 87 CO 0.13 0.45 0.45 0.08 -0.92 0.00 0.00 175.35 175.54 1ija s VAL 88 N -1.41 -0.27 0.00 3.17 1.01 -0.80 -2.71 120.40 119.39 1ija s VAL 88 Ca 0.40 -1.55 0.00 0.00 0.00 0.00 0.00 61.98 60.84 1ija s VAL 88 Cb -0.18 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.50 1ija s VAL 88 CO 0.22 -0.67 0.00 0.61 0.00 0.00 0.00 175.10 175.26 1ija n GLY 89 N 3.46 2.62 2.08 4.51 0.00 -1.26 -2.43 105.19 114.18 1ija n GLY 89 Ca 0.19 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 1ija n GLY 89 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ija n ASN 90 N 6.38 6.21 -3.35 1.61 4.13 -1.26 -4.79 115.26 124.20 1ija n ASN 90 Ca 0.00 -3.40 0.02 0.00 1.68 0.00 0.00 54.58 52.88 1ija n ASN 90 Cb 0.00 -0.95 -0.03 0.00 -1.54 0.00 0.00 39.78 37.27 1ija n ASN 90 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1ija s GLU 91 N -2.82 0.48 0.04 3.52 -6.30 -1.02 -5.16 118.70 107.44 1ija s GLU 91 Ca 0.48 1.03 0.02 0.00 -2.50 0.00 0.00 54.97 54.00 1ija s GLU 91 Cb 0.38 0.60 -0.04 0.00 0.00 0.00 0.00 34.13 35.08 1ija s GLU 91 CO 0.02 -0.35 0.02 -0.08 0.02 0.00 0.00 175.26 174.88 1ija s THR 92 N 2.82 4.24 0.60 -1.70 -1.32 -1.26 -1.90 115.64 117.12 1ija s THR 92 Ca 0.06 -0.71 0.02 0.00 -1.21 0.00 0.00 61.69 59.84 1ija s THR 92 Cb -0.12 -2.96 0.06 0.00 -1.51 0.00 0.00 72.50 67.98 1ija s THR 92 CO -0.19 0.26 0.83 -0.13 -2.21 0.00 0.00 174.62 173.19 1ija s ARG 93 N -1.92 2.28 -0.35 7.08 1.81 0.16 -4.90 118.95 123.12 1ija s ARG 93 Ca 0.23 -0.97 0.02 0.00 -1.72 0.00 0.00 55.73 53.29 1ija s ARG 93 Cb -0.12 -2.47 0.15 0.00 -0.45 0.00 0.00 34.95 32.06 1ija s ARG 93 CO 0.15 -0.92 0.32 0.15 -0.68 0.00 0.00 175.30 174.32 1ija s LYS 94 N -4.85 0.53 0.54 3.54 1.02 -1.26 -2.53 119.74 116.74 1ija s LYS 94 Ca 0.60 -0.75 -0.04 0.00 0.02 0.00 0.00 55.97 55.80 1ija s LYS 94 Cb -0.08 -0.81 0.12 0.00 -0.52 0.00 0.00 37.83 36.53 1ija s LYS 94 CO 0.40 -1.15 0.74 0.66 -0.92 0.00 0.00 175.35 175.08 1ija n TYR 95 N 4.50 -3.46 -3.43 3.18 4.02 -1.07 -4.13 117.16 116.77 1ija n TYR 95 Ca 0.08 -1.00 -0.15 0.00 -0.01 0.00 0.00 57.90 56.81 1ija n TYR 95 Cb 0.44 -0.56 -0.11 0.00 -0.02 0.00 0.00 39.34 39.10 1ija n TYR 95 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 1ija s LYS 96 N -4.47 0.26 -0.30 -0.72 2.20 -0.95 -2.86 119.74 112.91 1ija s LYS 96 Ca 0.46 0.23 -0.39 0.00 -0.36 0.00 0.00 55.97 55.90 1ija s LYS 96 Cb -0.02 -0.89 -0.15 0.00 -1.51 0.00 0.00 37.83 35.26 1ija s LYS 96 CO 0.31 -0.73 1.85 -1.33 -0.36 0.00 0.00 175.35 175.09 1ija n MET 97 N 5.33 1.11 0.00 4.03 2.81 -1.18 -2.82 117.12 126.41 1ija n MET 97 Ca -0.04 0.39 0.00 0.00 -1.81 0.00 0.00 57.70 56.24 1ija n MET 97 Cb 0.49 -2.15 0.00 0.00 -0.71 0.00 0.00 33.22 30.85 1ija n MET 97 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1ija n THR 98 N 5.16 0.00 -3.15 2.03 -2.24 -1.25 0.06 114.28 114.89 1ija n THR 98 Ca 0.30 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 62.13 1ija n THR 98 Cb 0.14 0.98 -0.01 0.00 -2.10 0.00 0.00 70.33 69.34 1ija n THR 98 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ija s SER 99 N 0.00 -1.09 0.36 3.42 0.15 -0.80 -5.03 113.70 110.71 1ija s SER 99 Ca 0.00 0.56 0.09 0.00 0.70 0.00 0.00 55.95 57.30 1ija s SER 99 Cb 0.00 1.87 -0.07 0.00 -1.71 0.00 0.00 66.02 66.11 1ija s SER 99 CO 0.00 -0.20 -0.05 -0.63 1.20 0.00 0.00 173.24 173.56 1ija s ILE 100 N 2.89 2.21 0.00 6.45 1.01 -1.26 0.33 121.20 132.83 1ija s ILE 100 Ca 0.14 -2.12 0.00 0.00 0.00 0.00 0.00 60.65 58.67 1ija s ILE 100 Cb -0.12 -2.77 0.00 0.00 0.01 0.00 0.00 42.46 39.58 1ija s ILE 100 CO -0.19 -0.14 0.00 0.54 0.00 0.00 0.00 174.94 175.15 1ija n ARG 101 N -0.87 0.00 -1.04 2.79 5.12 -1.14 -4.87 116.66 116.65 1ija n ARG 101 Ca -0.05 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 55.83 1ija n ARG 101 Cb 0.64 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.93 1ija n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1ija n ASP 102 N -0.52 -1.26 -3.48 0.55 -0.08 -1.01 -4.79 116.55 105.95 1ija n ASP 102 Ca 0.00 0.11 -0.09 0.00 -1.51 0.00 0.00 54.79 53.30 1ija n ASP 102 Cb 0.00 -1.46 -0.09 0.00 2.34 0.00 0.00 41.12 41.92 1ija n ASP 102 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1ija s VAL 103 N -1.28 -0.62 -1.16 5.18 0.11 -1.26 -4.94 120.40 116.44 1ija s VAL 103 Ca 0.00 0.04 -0.27 0.00 -2.93 0.00 0.00 61.98 58.82 1ija s VAL 103 Cb 0.00 -0.74 0.02 0.00 -1.53 0.00 0.00 36.38 34.13 1ija s VAL 103 CO 0.00 -0.03 0.73 1.17 -3.33 0.00 0.00 175.10 173.64 1ija n LYS 104 N 5.38 -0.75 -1.23 1.54 4.81 -1.26 -4.54 118.16 122.11 1ija n LYS 104 Ca -0.06 0.30 -0.40 0.00 -0.87 0.00 0.00 58.31 57.28 1ija n LYS 104 Cb 0.50 -3.29 -0.12 0.00 0.02 0.00 0.00 35.03 32.14 1ija n LYS 104 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1ija n PRO 105 N -4.52 0.00 -0.23 1.64 -0.02 -1.26 -4.79 135.00 125.83 1ija n PRO 105 Ca -0.11 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.35 1ija n PRO 105 Cb 0.58 -1.29 0.09 0.00 -0.02 0.00 0.00 33.50 32.85 1ija n PRO 105 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ija h THR 106 N 6.65 0.99 0.00 3.45 1.03 -2.00 -3.46 112.91 119.57 1ija h THR 106 Ca -0.06 -0.24 0.00 0.00 -0.01 0.00 0.00 66.41 66.11 1ija h THR 106 Cb 1.16 0.24 0.00 0.00 -1.07 0.00 0.00 68.15 68.47 1ija h THR 106 CO 1.12 0.13 0.00 -0.67 -0.01 0.00 0.00 175.52 176.09 1ija n ASP 107 N -4.77 -1.04 0.00 0.00 -0.08 -1.26 -4.89 116.55 104.51 1ija n ASP 107 Ca 0.08 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.36 1ija n ASP 107 Cb 0.15 -0.36 0.00 0.00 2.34 0.00 0.00 41.12 43.25 1ija n ASP 107 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1ija n VAL 108 N -3.09 1.33 0.00 5.18 0.24 -1.26 -4.32 118.33 116.40 1ija n VAL 108 Ca 0.00 0.33 0.00 0.00 -2.04 0.00 0.00 64.34 62.63 1ija n VAL 108 Cb 0.29 -1.33 0.00 0.00 -1.47 0.00 0.00 33.84 31.33 1ija n VAL 108 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ija n GLY 109 N -1.32 -0.94 0.23 7.63 0.00 -1.26 -4.89 105.19 104.63 1ija n GLY 109 Ca 0.00 0.63 -0.05 0.00 0.00 0.00 0.00 46.02 46.60 1ija n GLY 109 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1ija h VAL 110 N 0.00 1.29 -0.58 1.61 -1.51 -1.99 -3.32 116.25 111.75 1ija h VAL 110 Ca 0.00 -1.44 -0.28 0.00 -1.23 0.00 0.00 66.70 63.75 1ija h VAL 110 Cb 0.00 1.47 -0.40 0.00 -2.13 0.00 0.00 31.29 30.23 1ija h VAL 110 CO 0.00 0.46 -1.13 0.18 -1.23 0.00 0.00 177.57 175.85 1ija n LEU 111 N -4.07 1.66 -4.67 4.19 4.77 -1.26 -5.01 117.00 112.61 1ija n LEU 111 Ca -0.01 -3.25 -0.39 0.00 -0.03 0.00 0.00 56.01 52.33 1ija n LEU 111 Cb 0.47 0.44 -0.07 0.00 -2.33 0.00 0.00 43.42 41.93 1ija n LEU 111 CO 0.44 1.20 0.18 -1.81 -1.33 0.00 0.00 177.39 176.06 1ija s ASP 112 N -3.64 6.53 -0.09 -1.43 1.11 -1.25 -4.92 116.67 112.98 1ija s ASP 112 Ca 0.28 0.63 0.09 0.00 0.18 0.00 0.00 52.55 53.73 1ija s ASP 112 Cb 0.36 -2.27 0.42 0.00 1.07 0.00 0.00 42.92 42.49 1ija s ASP 112 CO -0.02 -0.12 1.21 -1.84 1.18 0.00 0.00 175.17 175.58 1ija n GLU 113 N 4.54 2.75 -0.99 8.23 0.00 -1.26 -3.57 120.64 130.33 1ija n GLU 113 Ca -0.06 -1.62 -0.00 0.00 0.00 0.00 0.00 57.16 55.47 1ija n GLU 113 Cb 0.51 -1.73 -0.01 0.00 0.00 0.00 0.00 31.44 30.20 1ija n GLU 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ija n GLN 114 N 0.44 0.00 0.00 3.44 0.00 -1.26 -4.76 117.38 115.24 1ija n GLN 114 Ca 0.14 -1.20 0.00 0.00 0.00 0.00 0.00 57.00 55.94 1ija n GLN 114 Cb 0.63 0.02 0.00 0.00 0.00 0.00 0.00 30.24 30.90 1ija n GLN 114 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 1ija n LYS 115 N 0.18 0.00 -0.93 2.61 2.85 -1.23 -4.63 118.16 117.01 1ija n LYS 115 Ca -0.05 0.20 0.00 0.00 -1.05 0.00 0.00 58.31 57.41 1ija n LYS 115 Cb 0.83 -1.76 0.00 0.00 -0.65 0.00 0.00 35.03 33.45 1ija n LYS 115 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ija n GLY 116 N -1.19 1.02 0.00 2.58 0.00 -1.26 -5.05 105.19 101.30 1ija n GLY 116 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1ija n GLY 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ija n LYS 117 N -0.27 0.42 -4.42 1.61 5.02 -1.26 -5.18 118.16 114.08 1ija n LYS 117 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.03 1ija n LYS 117 Cb 0.19 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.10 1ija n LYS 117 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ija s ASP 118 N 0.15 4.08 -0.16 4.39 -1.08 -1.26 -4.95 116.67 117.84 1ija s ASP 118 Ca 0.00 -1.22 -0.01 0.00 -0.52 0.00 0.00 52.55 50.79 1ija s ASP 118 Cb 0.00 -0.44 -0.06 0.00 -1.46 0.00 0.00 42.92 40.97 1ija s ASP 118 CO 0.00 -0.44 0.54 0.29 0.52 0.00 0.00 175.17 176.07 1ija n LYS 119 N -1.04 0.00 -2.97 4.34 4.76 -1.25 -4.61 118.16 117.38 1ija n LYS 119 Ca -0.04 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.23 1ija n LYS 119 Cb 0.65 -0.35 0.01 0.00 -1.84 0.00 0.00 35.03 33.51 1ija n LYS 119 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 1ija s GLN 120 N 2.06 2.80 -0.31 1.97 0.00 -1.12 -2.08 119.66 122.98 1ija s GLN 120 Ca 0.22 -1.20 0.03 0.00 -0.00 0.00 0.00 55.36 54.40 1ija s GLN 120 Cb -0.14 -2.73 0.09 0.00 0.00 0.00 0.00 33.01 30.23 1ija s GLN 120 CO 0.09 -0.32 0.03 -1.17 0.00 0.00 0.00 175.29 173.92 1ija s LEU 121 N -4.39 3.85 -0.95 2.60 2.96 -1.16 -3.12 118.68 118.47 1ija s LEU 121 Ca 0.55 -1.84 -0.15 0.00 -0.22 0.00 0.00 54.13 52.47 1ija s LEU 121 Cb -0.10 -1.42 0.19 0.00 0.50 0.00 0.00 46.19 45.36 1ija s LEU 121 CO 0.34 -0.35 1.02 -0.89 -1.32 0.00 0.00 176.35 175.15 1ija s THR 122 N 1.12 5.27 0.04 3.68 2.01 0.04 -2.82 115.64 124.99 1ija s THR 122 Ca 0.06 -2.29 -0.28 0.00 0.31 0.00 0.00 61.69 59.48 1ija s THR 122 Cb -0.19 -4.65 -0.05 0.00 0.01 0.00 0.00 72.50 67.62 1ija s THR 122 CO -0.11 -1.30 0.91 -0.76 -0.69 0.00 0.00 174.62 172.68 1ija s LEU 123 N 1.06 4.43 0.27 4.42 1.43 -1.09 -2.04 118.68 127.16 1ija s LEU 123 Ca 0.28 1.63 0.10 0.00 -1.03 0.00 0.00 54.13 55.10 1ija s LEU 123 Cb -0.07 -3.47 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 1ija s LEU 123 CO -0.08 -0.12 -0.03 -0.63 0.23 0.00 0.00 176.35 175.71 1ija s ILE 124 N 0.42 3.32 0.42 -0.59 1.01 0.38 -2.31 121.20 123.85 1ija s ILE 124 Ca 0.46 -1.97 0.05 0.00 0.00 0.00 0.00 60.65 59.19 1ija s ILE 124 Cb -0.21 -2.77 0.01 0.00 0.01 0.00 0.00 42.46 39.49 1ija s ILE 124 CO 0.27 -0.37 0.60 0.42 0.00 0.00 0.00 174.94 175.86 1ija s THR 125 N -2.33 3.50 -0.43 2.92 -4.23 -1.09 -0.97 115.64 113.02 1ija s THR 125 Ca 0.31 -0.82 0.05 0.00 -1.18 0.00 0.00 61.69 60.04 1ija s THR 125 Cb -0.06 -3.24 0.17 0.00 1.34 0.00 0.00 72.50 70.71 1ija s THR 125 CO 0.19 -0.12 0.48 0.00 -0.54 0.00 0.00 174.62 174.63 1ija s ASP 127 N 0.92 -0.29 -0.06 0.00 2.15 -1.26 -4.11 116.67 114.02 1ija s ASP 127 Ca 0.25 0.65 -0.00 0.00 0.43 0.00 0.00 52.55 53.88 1ija s ASP 127 Cb -0.05 0.56 -0.00 0.00 -0.30 0.00 0.00 42.92 43.13 1ija s ASP 127 CO -0.08 -0.18 0.05 -0.67 -0.17 0.00 0.00 175.17 174.12 1ija n ASP 128 N 4.35 -2.26 -4.70 -0.34 -0.08 -1.26 -4.42 116.55 107.85 1ija n ASP 128 Ca -0.23 -0.04 -0.42 0.00 -1.51 0.00 0.00 54.79 52.59 1ija n ASP 128 Cb 0.53 -0.79 -0.03 0.00 2.34 0.00 0.00 41.12 43.18 1ija n ASP 128 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1ija s TYR 129 N -3.02 2.89 -0.18 -0.67 6.14 -1.26 -2.26 117.35 118.99 1ija s TYR 129 Ca 0.02 0.66 -0.24 0.00 0.64 0.00 0.00 57.07 58.15 1ija s TYR 129 Cb -0.00 -3.83 -0.02 0.00 0.42 0.00 0.00 41.96 38.53 1ija s TYR 129 CO 0.04 -3.10 0.77 1.21 0.64 0.00 0.00 175.55 175.11 1ija s ASN 130 N 1.63 6.88 0.00 4.32 3.04 -0.89 -4.72 114.94 125.21 1ija s ASN 130 Ca 0.69 1.08 0.22 0.00 0.04 0.00 0.00 52.86 54.88 1ija s ASN 130 Cb -0.39 -2.42 0.56 0.00 -1.54 0.00 0.00 41.25 37.46 1ija s ASN 130 CO 0.30 -0.36 1.48 -1.84 -3.04 0.00 0.00 177.10 173.65 1ija n GLU 131 N 5.15 2.53 0.14 0.43 0.28 -1.26 -2.55 120.64 125.36 1ija n GLU 131 Ca 0.03 -2.36 0.11 0.00 -0.16 0.00 0.00 57.16 54.78 1ija n GLU 131 Cb 0.49 -1.52 0.05 0.00 1.43 0.00 0.00 31.44 31.89 1ija n GLU 131 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1ija h LYS 132 N 4.07 0.00 0.00 3.44 1.57 -1.93 -3.38 116.57 120.34 1ija h LYS 132 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ija h LYS 132 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.23 1ija h LYS 132 CO 0.00 0.01 0.00 0.25 -0.57 0.00 0.00 179.45 179.14 1ija n THR 133 N -2.82 0.00 -2.92 -0.16 -2.24 -1.26 -5.03 114.28 99.85 1ija n THR 133 Ca 0.01 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.68 1ija n THR 133 Cb 0.55 1.90 0.06 0.00 -2.10 0.00 0.00 70.33 70.74 1ija n THR 133 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ija n GLY 134 N 0.00 -0.05 3.11 3.38 0.00 -1.11 -5.04 105.19 105.48 1ija n GLY 134 Ca 0.00 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 1ija n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ija s VAL 135 N -3.22 -0.01 -0.29 1.61 1.01 -1.06 -5.03 120.40 113.42 1ija s VAL 135 Ca 0.04 0.03 -0.34 0.00 0.00 0.00 0.00 61.98 61.70 1ija s VAL 135 Cb -0.02 -0.35 -0.11 0.00 0.00 0.00 0.00 36.38 35.90 1ija s VAL 135 CO 0.46 0.01 2.12 0.79 0.00 0.00 0.00 175.10 178.47 1ija n TRP 136 N 3.23 1.80 0.00 5.22 7.02 -1.26 -2.09 117.44 131.36 1ija n TRP 136 Ca -0.15 0.20 0.00 0.00 -1.02 0.00 0.00 57.50 56.52 1ija n TRP 136 Cb 0.57 -2.57 0.00 0.00 -2.42 0.00 0.00 31.31 26.89 1ija n TRP 136 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1ija n GLU 137 N 7.84 0.00 -4.13 -0.99 4.07 -0.96 -4.40 120.64 122.07 1ija n GLU 137 Ca 0.36 0.39 -0.36 0.00 -0.06 0.00 0.00 57.16 57.49 1ija n GLU 137 Cb 0.26 -0.83 -0.08 0.00 -0.06 0.00 0.00 31.44 30.73 1ija n GLU 137 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1ija s LYS 138 N -0.89 3.26 -0.18 5.31 1.02 -1.26 -4.97 119.74 122.03 1ija s LYS 138 Ca 0.00 -0.28 -0.04 0.00 0.02 0.00 0.00 55.97 55.67 1ija s LYS 138 Cb 0.00 -3.00 0.09 0.00 -0.52 0.00 0.00 37.83 34.40 1ija s LYS 138 CO 0.00 0.70 0.27 -0.98 -0.92 0.00 0.00 175.35 174.42 1ija s ARG 139 N -0.84 0.21 0.45 1.68 1.70 -1.26 -4.56 118.95 116.32 1ija s ARG 139 Ca 0.13 0.51 0.03 0.00 -0.47 0.00 0.00 55.73 55.93 1ija s ARG 139 Cb -0.12 -0.56 0.01 0.00 -0.57 0.00 0.00 34.95 33.71 1ija s ARG 139 CO 0.03 -0.50 0.64 0.15 -1.08 0.00 0.00 175.30 174.54 1ija s LYS 140 N 2.42 2.91 0.13 3.89 3.01 -1.26 -4.90 119.74 125.94 1ija s LYS 140 Ca 0.06 -0.77 -0.10 0.00 -1.01 0.00 0.00 55.97 54.15 1ija s LYS 140 Cb -0.14 -2.62 -0.00 0.00 -1.01 0.00 0.00 37.83 34.06 1ija s LYS 140 CO -0.11 -0.31 0.26 0.96 0.51 0.00 0.00 175.35 176.65 1ija s ILE 141 N -2.50 0.10 0.04 2.17 -4.36 -1.26 -2.67 121.20 112.72 1ija s ILE 141 Ca 0.51 -1.21 0.01 0.00 -0.26 0.00 0.00 60.65 59.70 1ija s ILE 141 Cb -0.10 -1.55 -0.02 0.00 1.25 0.00 0.00 42.46 42.03 1ija s ILE 141 CO 0.36 -0.46 -0.06 -0.36 0.24 0.00 0.00 174.94 174.66 1ija s PHE 142 N -3.90 0.54 -0.18 1.37 0.40 -0.98 -2.41 117.98 112.81 1ija s PHE 142 Ca 0.10 -0.53 -0.02 0.00 -0.60 0.00 0.00 56.93 55.88 1ija s PHE 142 Cb 0.04 -0.33 0.05 0.00 0.51 0.00 0.00 43.02 43.29 1ija s PHE 142 CO -0.06 -0.13 0.01 0.08 0.70 0.00 0.00 175.22 175.82 1ija s VAL 143 N -1.52 0.73 0.55 -0.44 1.01 0.15 -2.66 120.40 118.23 1ija s VAL 143 Ca -0.11 -0.60 0.09 0.00 0.00 0.00 0.00 61.98 61.37 1ija s VAL 143 Cb -0.09 -1.13 0.07 0.00 0.00 0.00 0.00 36.38 35.23 1ija s VAL 143 CO -0.00 -0.10 0.74 0.00 0.00 0.00 0.00 175.10 175.73 1ija s ALA 144 N 1.77 4.67 -0.06 5.51 0.00 -1.13 -1.91 121.76 130.61 1ija s ALA 144 Ca -0.01 -2.04 -0.06 0.00 0.00 0.00 0.00 51.96 49.86 1ija s ALA 144 Cb -0.17 -1.42 0.02 0.00 0.00 0.00 0.00 23.12 21.55 1ija s ALA 144 CO -0.07 -0.77 0.17 -0.08 0.00 0.00 0.00 175.76 175.01 1ija s THR 145 N -2.64 -0.00 0.50 0.00 -1.32 -1.13 -2.98 115.64 108.07 1ija s THR 145 Ca 0.59 0.01 -0.23 0.00 -1.21 0.00 0.00 61.69 60.85 1ija s THR 145 Cb -0.06 -0.24 -0.07 0.00 -1.51 0.00 0.00 72.50 70.62 1ija s THR 145 CO 0.37 0.00 1.35 1.21 -2.21 0.00 0.00 174.62 175.34 1ija n GLU 146 N 3.07 1.85 -2.66 7.08 2.13 -0.88 -2.24 120.64 128.98 1ija n GLU 146 Ca -0.13 0.67 -0.24 0.00 0.66 0.00 0.00 57.16 58.12 1ija n GLU 146 Cb 0.58 -2.54 0.03 0.00 0.27 0.00 0.00 31.44 29.78 1ija n GLU 146 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1ija s VAL 147 N -1.26 3.46 0.00 6.31 -7.23 -1.26 -4.89 120.40 115.53 1ija s VAL 147 Ca 0.67 -0.36 0.00 0.00 -1.81 0.00 0.00 61.98 60.48 1ija s VAL 147 Cb -0.44 -3.33 0.00 0.00 0.56 0.00 0.00 36.38 33.17 1ija s VAL 147 CO 0.53 -0.27 0.00 0.29 -0.31 0.00 0.00 175.10 175.34