#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 2.86 -0.45 0.03 1.11 -1.26 -4.92 119.66 117.02 1ija s GLN 2 Ca 0.00 1.81 -0.29 0.00 0.01 0.00 0.00 55.36 56.89 1ija s GLN 2 Cb 0.00 -1.92 0.03 0.00 -1.01 0.00 0.00 33.01 30.11 1ija s GLN 2 CO 0.00 -1.29 1.16 0.00 0.01 0.00 0.00 175.29 175.17 1ija s ALA 3 N -1.66 3.18 0.64 6.09 0.00 -1.26 -4.99 121.76 123.76 1ija s ALA 3 Ca 0.77 -0.39 -0.18 0.00 0.00 0.00 0.00 51.96 52.16 1ija s ALA 3 Cb -0.30 -3.88 -0.04 0.00 0.00 0.00 0.00 23.12 18.91 1ija s ALA 3 CO 0.35 -2.19 0.94 0.36 0.00 0.00 0.00 175.76 175.22 1ija n LYS 4 N 7.76 0.76 0.00 0.00 2.85 -1.26 -4.95 118.16 123.32 1ija n LYS 4 Ca 0.12 0.31 0.00 0.00 -1.05 0.00 0.00 58.31 57.69 1ija n LYS 4 Cb 0.49 -2.16 0.00 0.00 -0.65 0.00 0.00 35.03 32.71 1ija n LYS 4 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1ija n PRO 5 N -1.20 0.00 -3.42 -1.58 -0.02 -1.26 -4.87 135.00 122.65 1ija n PRO 5 Ca 0.14 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.48 1ija n PRO 5 Cb 0.48 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.86 1ija n PRO 5 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1ija s GLN 6 N 0.00 0.27 -0.17 -0.52 -0.21 -1.26 -5.12 119.66 112.65 1ija s GLN 6 Ca 0.00 0.35 -0.24 0.00 0.02 0.00 0.00 55.36 55.49 1ija s GLN 6 Cb 0.00 -0.84 -0.02 0.00 1.00 0.00 0.00 33.01 33.15 1ija s GLN 6 CO 0.00 -0.66 0.79 0.42 -2.12 0.00 0.00 175.29 173.71 1ija s ILE 7 N 2.43 4.92 0.00 1.08 -1.09 -1.26 -5.04 121.20 122.24 1ija s ILE 7 Ca 0.10 1.54 0.00 0.00 -2.23 0.00 0.00 60.65 60.05 1ija s ILE 7 Cb -0.16 -4.09 0.00 0.00 -1.58 0.00 0.00 42.46 36.63 1ija s ILE 7 CO -0.14 0.06 0.00 -2.65 -1.23 0.00 0.00 174.94 170.97 1ija n PRO 8 N 5.10 3.48 0.00 2.79 -0.02 -1.26 -5.02 135.00 140.07 1ija n PRO 8 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 1ija n PRO 8 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.97 1ija n PRO 8 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1ija n LYS 9 N 0.00 0.00 -2.36 -0.52 4.81 -1.26 -5.01 118.16 113.82 1ija n LYS 9 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.01 1ija n LYS 9 Cb 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.03 1ija n LYS 9 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1ija s ASP 10 N -0.99 6.48 0.00 3.14 -1.08 -1.26 -4.83 116.67 118.14 1ija s ASP 10 Ca 0.00 1.05 0.00 0.00 -0.52 0.00 0.00 52.55 53.08 1ija s ASP 10 Cb 0.00 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 1ija s ASP 10 CO 0.00 -1.27 0.68 0.29 0.52 0.00 0.00 175.17 175.40 1ija n LYS 11 N 7.71 0.00 -1.72 4.34 5.02 -1.26 -1.37 118.16 130.89 1ija n LYS 11 Ca 0.16 0.21 -0.28 0.00 -2.02 0.00 0.00 58.31 56.38 1ija n LYS 11 Cb 0.47 -1.53 0.05 0.00 -0.02 0.00 0.00 35.03 34.00 1ija n LYS 11 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1ija n SER 12 N -1.18 5.97 -3.81 4.39 3.41 -1.26 -4.77 113.62 116.37 1ija n SER 12 Ca 0.00 -3.77 -0.12 0.00 -0.26 0.00 0.00 58.87 54.72 1ija n SER 12 Cb 0.03 -0.60 -0.11 0.00 -0.26 0.00 0.00 64.21 63.27 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 -3.68 0.37 0.60 4.33 2.20 -0.47 -5.14 119.74 117.95 1ija s LYS 13 Ca 0.56 0.08 -0.19 0.00 -0.36 0.00 0.00 55.97 56.06 1ija s LYS 13 Cb 0.45 0.17 -0.03 0.00 -1.51 0.00 0.00 37.83 36.91 1ija s LYS 13 CO 0.02 -0.07 1.29 0.08 -0.36 0.00 0.00 175.35 176.30 1ija s VAL 14 N -0.42 2.22 0.00 4.02 1.01 -1.26 -4.38 120.40 121.59 1ija s VAL 14 Ca -0.05 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1ija s VAL 14 Cb -0.03 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.28 1ija s VAL 14 CO 0.01 -0.02 0.45 0.00 0.00 0.00 0.00 175.10 175.54 1ija n ALA 15 N -1.58 1.04 0.00 5.51 0.00 -0.95 -4.87 120.51 119.66 1ija n ALA 15 Ca 0.14 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1ija n ALA 15 Cb 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 -0.06 3.00 0.00 0.00 -1.24 -4.78 105.19 102.10 1ija n GLY 16 Ca 0.00 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.00 -0.51 -0.06 1.61 2.02 -0.32 -2.97 117.35 115.12 1ija s TYR 17 Ca 0.00 0.93 -0.09 0.00 -0.37 0.00 0.00 57.07 57.54 1ija s TYR 17 Cb 0.00 -0.03 -0.05 0.00 -0.40 0.00 0.00 41.96 41.49 1ija s TYR 17 CO 0.00 -0.46 0.24 -1.50 -1.57 0.00 0.00 175.55 172.26 1ija s ILE 18 N 2.45 5.34 -0.09 2.71 2.07 -0.78 -1.10 121.20 131.80 1ija s ILE 18 Ca 0.03 0.36 -0.08 0.00 -1.41 0.00 0.00 60.65 59.55 1ija s ILE 18 Cb -0.13 -3.52 0.02 0.00 0.13 0.00 0.00 42.46 38.97 1ija s ILE 18 CO -0.11 0.55 0.23 -1.61 -1.91 0.00 0.00 174.94 172.10 1ija s GLU 19 N -1.21 0.26 -0.09 3.50 2.02 -1.05 -2.51 118.70 119.63 1ija s GLU 19 Ca 0.20 0.34 -0.04 0.00 0.02 0.00 0.00 54.97 55.49 1ija s GLU 19 Cb -0.13 0.10 0.05 0.00 0.10 0.00 0.00 34.13 34.24 1ija s GLU 19 CO 0.09 -0.05 0.18 0.42 0.02 0.00 0.00 175.26 175.93 1ija s ILE 20 N 0.25 -0.16 0.06 -1.63 1.01 -1.00 -2.13 121.20 117.59 1ija s ILE 20 Ca -0.01 0.24 -0.15 0.00 0.00 0.00 0.00 60.65 60.72 1ija s ILE 20 Cb -0.03 -0.31 -0.23 0.00 0.01 0.00 0.00 42.46 41.91 1ija s ILE 20 CO -0.01 0.10 1.17 1.55 0.00 0.00 0.00 174.94 177.76 1ija h PRO 21 N 7.70 0.63 0.00 2.79 0.13 -1.86 0.76 132.00 142.16 1ija h PRO 21 Ca -0.30 -0.67 0.00 0.00 -0.87 0.00 0.00 66.00 64.16 1ija h PRO 21 Cb 1.13 0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1ija h PRO 21 CO 0.30 1.27 0.34 -0.44 -0.23 0.00 0.00 178.00 179.23 1ija h ASP 22 N 0.27 0.00 0.00 1.44 5.19 -1.97 0.16 116.42 121.52 1ija h ASP 22 Ca -0.11 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.30 1ija h ASP 22 Cb 1.58 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.09 1ija h ASP 22 CO 0.18 0.00 -0.21 0.00 -3.12 0.00 0.00 179.24 176.09 1ija n ALA 23 N -1.66 1.57 -4.15 3.45 0.00 -1.16 -3.90 120.51 114.67 1ija n ALA 23 Ca -0.01 -0.89 -0.28 0.00 0.00 0.00 0.00 53.44 52.26 1ija n ALA 23 Cb 0.37 -0.24 -0.06 0.00 0.00 0.00 0.00 19.45 19.52 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 -0.13 0.34 -4.83 0.00 5.75 0.65 -4.69 116.55 113.65 1ija n ASP 24 Ca 0.01 -1.16 -0.36 0.00 -0.01 0.00 0.00 54.79 53.28 1ija n ASP 24 Cb 0.58 -2.26 -0.06 0.00 -1.03 0.00 0.00 41.12 38.35 1ija n ASP 24 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1ija s ILE 25 N -4.19 4.76 -0.41 2.12 -1.09 0.23 -4.89 121.20 117.73 1ija s ILE 25 Ca 0.00 1.00 -0.01 0.00 -2.23 0.00 0.00 60.65 59.41 1ija s ILE 25 Cb -0.00 -3.78 0.20 0.00 -1.58 0.00 0.00 42.46 37.29 1ija s ILE 25 CO 0.95 0.26 0.93 -0.75 -1.23 0.00 0.00 174.94 175.09 1ija s LYS 26 N -1.90 0.58 0.03 2.79 2.20 -1.25 -2.37 119.74 119.82 1ija s LYS 26 Ca 0.39 -0.54 -0.01 0.00 -0.36 0.00 0.00 55.97 55.44 1ija s LYS 26 Cb -0.16 -0.02 -0.02 0.00 -1.51 0.00 0.00 37.83 36.12 1ija s LYS 26 CO 0.20 -0.73 -0.00 -1.21 -0.36 0.00 0.00 175.35 173.25 1ija s GLU 27 N 1.05 0.42 0.65 4.03 0.41 -1.04 -5.00 118.70 119.21 1ija s GLU 27 Ca 0.25 -0.73 -0.07 0.00 -0.41 0.00 0.00 54.97 54.01 1ija s GLU 27 Cb 0.06 0.15 0.03 0.00 -1.78 0.00 0.00 34.13 32.59 1ija s GLU 27 CO -0.09 -0.08 0.97 -1.25 -0.49 0.00 0.00 175.26 174.33 1ija s PRO 28 N -2.06 2.61 -0.08 0.39 0.04 -1.26 -1.87 135.00 132.76 1ija s PRO 28 Ca -0.10 -0.05 -0.01 0.00 0.04 0.00 0.00 61.00 60.88 1ija s PRO 28 Cb -0.05 -2.20 0.03 0.00 0.04 0.00 0.00 34.50 32.32 1ija s PRO 28 CO -0.03 -0.97 -0.02 0.08 0.04 0.00 0.00 177.00 176.10 1ija s VAL 29 N -3.14 0.58 0.52 -0.36 1.01 -1.16 -3.72 120.40 114.13 1ija s VAL 29 Ca 0.57 -0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.52 1ija s VAL 29 Cb -0.11 -0.69 0.01 0.00 0.00 0.00 0.00 36.38 35.60 1ija s VAL 29 CO 0.46 0.29 0.77 -0.31 0.00 0.00 0.00 175.10 176.30 1ija s TYR 30 N 1.85 3.16 -0.22 5.22 2.02 -1.16 -2.24 117.35 125.97 1ija s TYR 30 Ca 0.04 0.31 -0.26 0.00 -0.37 0.00 0.00 57.07 56.79 1ija s TYR 30 Cb -0.12 -2.54 -0.00 0.00 -0.40 0.00 0.00 41.96 38.89 1ija s TYR 30 CO -0.06 -0.62 0.90 -1.25 -1.57 0.00 0.00 175.55 172.96 1ija s PRO 31 N -4.74 4.23 0.00 -1.71 0.04 -1.26 -3.17 135.00 128.39 1ija s PRO 31 Ca 0.52 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.66 1ija s PRO 31 Cb -0.10 -3.63 0.00 0.00 0.04 0.00 0.00 34.50 30.81 1ija s PRO 31 CO 0.40 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 177.33 1ija n GLY 32 N 3.55 2.34 3.68 0.56 0.00 -1.26 -4.40 105.19 109.66 1ija n GLY 32 Ca 0.08 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.01 4.30 -0.78 1.61 0.04 -1.26 -3.66 135.00 133.25 1ija s PRO 33 Ca 0.00 1.77 -0.10 0.00 0.04 0.00 0.00 61.00 62.71 1ija s PRO 33 Cb 0.00 -3.62 -0.24 0.00 0.04 0.00 0.00 34.50 30.68 1ija s PRO 33 CO 0.00 -0.55 1.94 0.00 0.04 0.00 0.00 177.00 178.44 1ija n ALA 34 N 5.61 0.88 -2.61 8.56 0.00 0.27 -4.85 120.51 128.37 1ija n ALA 34 Ca 0.12 -0.97 -0.29 0.00 0.00 0.00 0.00 53.44 52.31 1ija n ALA 34 Cb 0.45 -2.15 -0.09 0.00 0.00 0.00 0.00 19.45 17.67 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 2.30 3.49 0.16 0.00 -4.23 -1.26 -5.00 115.64 111.10 1ija s THR 35 Ca 0.99 -1.33 -0.10 0.00 -1.18 0.00 0.00 61.69 60.07 1ija s THR 35 Cb -0.57 -2.68 0.00 0.00 1.34 0.00 0.00 72.50 70.60 1ija s THR 35 CO 0.39 0.03 1.55 1.55 -0.54 0.00 0.00 174.62 177.59 1ija h PRO 36 N 3.28 1.01 0.00 3.99 0.13 -1.97 0.19 132.00 138.63 1ija h PRO 36 Ca -0.48 -0.43 -0.01 0.00 -0.87 0.00 0.00 66.00 64.21 1ija h PRO 36 Cb 1.18 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1ija h PRO 36 CO 0.55 1.11 -0.04 1.05 -0.23 0.00 0.00 178.00 180.44 1ija h GLU 37 N 0.87 0.00 0.00 0.86 4.11 -1.97 -2.36 114.58 116.09 1ija h GLU 37 Ca 0.11 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.50 1ija h GLU 37 Cb 0.80 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1ija h GLU 37 CO 0.07 0.04 -0.94 0.94 0.07 0.00 0.00 179.01 179.18 1ija n GLN 38 N -3.48 0.51 0.09 1.06 0.00 -1.02 -4.16 117.38 110.38 1ija n GLN 38 Ca -0.02 0.34 0.02 0.00 -0.00 0.00 0.00 57.00 57.34 1ija n GLN 38 Cb 0.15 -1.54 0.12 0.00 0.00 0.00 0.00 30.24 28.98 1ija n GLN 38 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1ija n LEU 39 N -4.50 0.12 0.28 1.69 4.77 0.63 0.82 117.00 120.80 1ija n LEU 39 Ca -0.15 0.32 0.12 0.00 -0.03 0.00 0.00 56.01 56.28 1ija n LEU 39 Cb 0.46 -0.25 0.79 0.00 -2.33 0.00 0.00 43.42 42.10 1ija n LEU 39 CO 0.16 -0.36 1.07 0.78 -1.33 0.00 0.00 177.39 177.71 1ija h ASN 40 N 0.00 0.00 1.49 -1.43 2.35 -1.58 0.49 115.58 116.90 1ija h ASN 40 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ija h ASN 40 Cb 0.82 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.19 1ija h ASN 40 CO 0.00 0.03 -0.19 0.03 -1.65 0.00 0.00 177.43 175.65 1ija h ARG 41 N 0.00 0.00 0.00 0.81 -0.00 0.14 -3.49 114.38 111.84 1ija h ARG 41 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1ija h ARG 41 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.04 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 1.24 -0.09 3.94 0.04 0.00 0.17 -5.07 105.19 105.42 1ija n GLY 42 Ca 0.04 -0.43 -0.24 0.00 0.00 0.00 0.00 46.02 45.39 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 5.15 -0.08 1.61 1.01 -1.24 -4.40 120.40 122.45 1ija s VAL 43 Ca 0.00 -0.52 -0.22 0.00 0.00 0.00 0.00 61.98 61.24 1ija s VAL 43 Cb 0.00 -3.83 0.05 0.00 0.00 0.00 0.00 36.38 32.60 1ija s VAL 43 CO 0.00 -0.42 0.51 -0.55 0.00 0.00 0.00 175.10 174.64 1ija s SER 44 N -3.79 -0.47 1.14 3.32 0.15 -1.19 -3.01 113.70 109.85 1ija s SER 44 Ca 0.39 0.59 -0.18 0.00 0.70 0.00 0.00 55.95 57.45 1ija s SER 44 Cb -0.10 0.61 0.13 0.00 -1.71 0.00 0.00 66.02 64.95 1ija s SER 44 CO 0.33 -0.44 0.10 0.49 1.20 0.00 0.00 173.24 174.92 1ija n PHE 45 N 1.54 -1.45 -0.26 3.44 3.72 -1.19 -1.83 117.46 121.44 1ija n PHE 45 Ca -0.18 0.09 0.12 0.00 -0.05 0.00 0.00 57.45 57.43 1ija n PHE 45 Cb 0.56 -1.56 0.30 0.00 -0.94 0.00 0.00 39.48 37.85 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 -4.53 2.38 -3.64 4.37 0.00 0.36 -0.56 120.51 118.88 1ija n ALA 46 Ca 0.01 -1.25 -0.04 0.00 0.00 0.00 0.00 53.44 52.15 1ija n ALA 46 Cb 0.61 -0.91 -0.07 0.00 0.00 0.00 0.00 19.45 19.09 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 -1.08 0.45 0.63 0.00 0.41 -1.26 -4.31 118.70 113.54 1ija s GLU 47 Ca 0.47 0.71 0.32 0.00 -0.41 0.00 0.00 54.97 56.06 1ija s GLU 47 Cb 0.25 0.12 1.74 0.00 -1.78 0.00 0.00 34.13 34.46 1ija s GLU 47 CO 0.33 -0.08 1.97 1.05 -0.49 0.00 0.00 175.26 178.04 1ija h GLU 48 N 5.76 0.00 -0.96 1.61 4.11 -1.91 0.57 114.58 123.76 1ija h GLU 48 Ca -0.28 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.07 1ija h GLU 48 Cb 1.19 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.40 1ija h GLU 48 CO 0.17 0.00 0.09 0.09 0.07 0.00 0.00 179.01 179.44 1ija n ASN 49 N -2.85 2.76 -4.76 3.06 5.03 -1.26 -4.82 115.26 112.43 1ija n ASN 49 Ca -0.02 -2.32 -0.38 0.00 0.87 0.00 0.00 54.58 52.72 1ija n ASN 49 Cb 0.29 -0.57 0.03 0.00 -1.02 0.00 0.00 39.78 38.51 1ija n ASN 49 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.26 173.60 1ija s GLU 50 N -1.06 3.37 -0.11 3.52 1.03 0.19 -4.97 118.70 120.66 1ija s GLU 50 Ca 0.14 2.19 -0.20 0.00 0.03 0.00 0.00 54.97 57.13 1ija s GLU 50 Cb 0.11 -2.38 0.05 0.00 -0.80 0.00 0.00 34.13 31.11 1ija s GLU 50 CO 0.03 -0.99 0.50 -1.54 -1.33 0.00 0.00 175.26 171.93 1ija s SER 51 N -0.93 -0.47 0.00 0.83 1.04 -1.26 -4.99 113.70 107.92 1ija s SER 51 Ca 0.68 0.71 0.00 0.00 0.48 0.00 0.00 55.95 57.82 1ija s SER 51 Cb -0.39 0.74 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1ija s SER 51 CO 0.47 -0.35 0.59 0.18 0.98 0.00 0.00 173.24 175.12 1ija n LEU 52 N 1.96 0.01 0.00 2.42 4.77 -1.26 -1.93 117.00 122.96 1ija n LEU 52 Ca -0.17 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1ija n LEU 52 Cb 0.56 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1ija n LEU 52 CO 0.16 0.00 0.14 0.47 -1.33 0.00 0.00 177.39 176.83 1ija n ASP 53 N -0.49 0.54 -4.66 -1.43 9.92 -1.26 -5.04 116.55 114.14 1ija n ASP 53 Ca 0.00 -0.92 -0.49 0.00 -0.53 0.00 0.00 54.79 52.85 1ija n ASP 53 Cb 0.00 0.07 -0.05 0.00 -0.64 0.00 0.00 41.12 40.50 1ija n ASP 53 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1ija n ASP 54 N -0.07 3.28 0.21 -2.24 2.03 -0.81 -4.70 116.55 114.25 1ija n ASP 54 Ca 0.00 0.87 0.04 0.00 0.52 0.00 0.00 54.79 56.22 1ija n ASP 54 Cb 0.09 -1.36 0.21 0.00 -0.72 0.00 0.00 41.12 39.34 1ija n ASP 54 CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 1ija h GLN 55 N 9.86 0.00 -2.59 -0.67 -0.00 -1.94 -3.27 115.11 116.51 1ija h GLN 55 Ca -0.46 0.00 -0.32 0.00 -0.00 0.00 0.00 58.65 57.87 1ija h GLN 55 Cb 1.28 0.00 -0.36 0.00 -0.00 0.00 0.00 27.48 28.40 1ija h GLN 55 CO 0.96 0.00 -0.63 0.54 -0.00 0.00 0.00 178.83 179.70 1ija s ASN 56 N -3.10 1.36 -0.32 0.06 4.22 -1.26 -2.10 114.94 113.81 1ija s ASN 56 Ca -0.01 -0.19 -0.18 0.00 -2.14 0.00 0.00 52.86 50.34 1ija s ASN 56 Cb 0.02 0.36 -0.01 0.00 1.28 0.00 0.00 41.25 42.90 1ija s ASN 56 CO 0.07 -0.32 0.51 -0.63 -2.04 0.00 0.00 177.10 174.69 1ija s ILE 57 N 2.32 5.04 -0.33 0.54 1.01 -1.16 -4.91 121.20 123.70 1ija s ILE 57 Ca 0.06 0.53 -0.08 0.00 0.00 0.00 0.00 60.65 61.17 1ija s ILE 57 Cb -0.15 -3.91 0.03 0.00 0.01 0.00 0.00 42.46 38.43 1ija s ILE 57 CO -0.12 -0.10 0.13 -0.44 0.00 0.00 0.00 174.94 174.41 1ija s SER 58 N 1.69 5.38 0.31 3.58 0.01 -1.26 -0.62 113.70 122.79 1ija s SER 58 Ca 0.19 -0.97 0.09 0.00 1.31 0.00 0.00 55.95 56.58 1ija s SER 58 Cb -0.15 -1.92 -0.05 0.00 0.21 0.00 0.00 66.02 64.11 1ija s SER 58 CO 0.12 -0.30 -0.00 -0.63 0.41 0.00 0.00 173.24 172.84 1ija s ILE 59 N 1.47 2.91 -0.16 1.44 1.01 -1.10 0.13 121.20 126.91 1ija s ILE 59 Ca 0.01 -1.97 0.01 0.00 0.00 0.00 0.00 60.65 58.69 1ija s ILE 59 Cb -0.19 -2.77 0.02 0.00 0.01 0.00 0.00 42.46 39.53 1ija s ILE 59 CO 0.04 -0.28 -0.19 0.00 0.00 0.00 0.00 174.94 174.52 1ija s ALA 60 N -2.45 2.14 -0.01 9.38 0.00 -0.76 -0.14 121.76 129.91 1ija s ALA 60 Ca 0.33 -1.07 0.07 0.00 0.00 0.00 0.00 51.96 51.30 1ija s ALA 60 Cb -0.03 -1.07 -0.02 0.00 0.00 0.00 0.00 23.12 22.00 1ija s ALA 60 CO 0.19 -0.26 -0.23 0.20 0.00 0.00 0.00 175.76 175.66 1ija s GLY 61 N 1.20 1.13 0.96 0.00 0.00 0.52 -3.15 107.32 107.98 1ija s GLY 61 Ca 0.01 -1.00 -0.13 0.00 0.00 0.00 0.00 44.72 43.60 1ija s GLY 61 CO -0.09 -0.84 1.12 0.30 0.00 0.00 0.00 173.10 173.59 1ija s HIS 62 N -0.56 2.29 -0.46 1.90 3.76 -1.26 -0.65 115.29 120.32 1ija s HIS 62 Ca 0.09 0.87 0.06 0.00 -0.15 0.00 0.00 55.06 55.93 1ija s HIS 62 Cb -0.09 -3.36 0.19 0.00 1.11 0.00 0.00 32.58 30.43 1ija s HIS 62 CO -0.01 -2.62 0.55 -2.37 -0.85 0.00 0.00 174.74 169.44 1ija n THR 63 N -3.95 -0.61 -2.88 1.30 5.66 -1.16 0.24 114.28 112.88 1ija n THR 63 Ca 0.06 -2.40 -0.43 0.00 -3.05 0.00 0.00 64.05 58.23 1ija n THR 63 Cb 0.59 -0.41 -0.05 0.00 -1.55 0.00 0.00 70.33 68.91 1ija n THR 63 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1ija s PHE 64 N 0.30 2.96 0.56 1.09 0.08 -1.26 -4.72 117.98 116.99 1ija s PHE 64 Ca 0.32 0.30 0.26 0.00 0.12 0.00 0.00 56.93 57.92 1ija s PHE 64 Cb 0.05 -3.83 1.56 0.00 -0.57 0.00 0.00 43.02 40.24 1ija s PHE 64 CO -0.14 -1.04 2.12 0.82 -0.10 0.00 0.00 175.22 176.88 1ija h ILE 65 N 6.03 0.64 -0.10 0.64 2.04 -1.99 0.21 117.51 124.98 1ija h ILE 65 Ca -0.24 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1ija h ILE 65 Cb 1.08 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 1ija h ILE 65 CO 1.00 0.00 0.00 -0.67 0.00 0.00 0.00 178.15 178.48 1ija n ASP 66 N -4.06 1.08 -3.04 1.72 2.03 -1.26 -4.09 116.55 108.92 1ija n ASP 66 Ca 0.01 -2.06 -0.17 0.00 0.52 0.00 0.00 54.79 53.08 1ija n ASP 66 Cb 0.27 -0.28 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 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 -0.06 0.64 0.00 -0.67 1.74 0.73 -5.00 116.66 114.04 1ija n ARG 67 Ca 0.04 -2.63 0.00 0.00 -0.77 0.00 0.00 57.85 54.49 1ija n ARG 67 Cb 0.22 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 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 1.83 0.00 -0.95 5.56 -0.02 -1.26 -1.29 135.00 138.88 1ija n PRO 68 Ca 0.18 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1ija n PRO 68 Cb 0.56 -1.15 -0.01 0.00 -0.02 0.00 0.00 33.50 32.88 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 0.70 0.07 -2.04 2.55 0.23 -1.26 -4.78 115.26 110.72 1ija n ASN 69 Ca 0.00 -1.81 0.00 0.00 -0.53 0.00 0.00 54.58 52.24 1ija n ASN 69 Cb 0.00 -0.07 0.00 0.00 -2.08 0.00 0.00 39.78 37.63 1ija n ASN 69 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ija n TYR 70 N 0.16 0.00 0.00 -2.53 9.36 -0.41 -4.96 117.16 118.78 1ija n TYR 70 Ca -0.05 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.17 1ija n TYR 70 Cb 0.81 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.52 1ija n TYR 70 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1ija n GLN 71 N 0.00 0.00 0.00 2.98 6.02 -1.26 -4.48 117.38 120.64 1ija n GLN 71 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.11 1ija n GLN 71 Cb 0.00 -0.62 0.17 0.00 1.02 0.00 0.00 30.24 30.81 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 -0.41 0.00 -0.34 1.08 -0.00 0.65 -4.37 117.46 114.07 1ija n PHE 72 Ca 0.00 0.00 0.27 0.00 -0.00 0.00 0.00 57.45 57.72 1ija n PHE 72 Cb 0.00 -0.10 0.52 0.00 -0.00 0.00 0.00 39.48 39.91 1ija n PHE 72 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 1ija h THR 73 N 1.08 0.21 0.00 -2.13 2.02 -1.67 -0.22 112.91 112.19 1ija h THR 73 Ca 0.00 -0.07 -0.23 0.00 0.77 0.00 0.00 66.41 66.87 1ija h THR 73 Cb 0.57 -0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 66.91 1ija h THR 73 CO 0.00 0.04 -1.82 0.59 0.37 0.00 0.00 175.52 174.70 1ija n ASN 74 N -5.06 0.51 0.03 4.18 4.13 -1.26 -4.05 115.26 113.75 1ija n ASN 74 Ca 0.34 0.23 0.01 0.00 1.68 0.00 0.00 54.58 56.84 1ija n ASN 74 Cb 1.11 0.57 0.07 0.00 -1.54 0.00 0.00 39.78 40.00 1ija n ASN 74 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1ija n LEU 75 N -2.81 0.07 -0.14 3.41 4.77 -0.10 0.25 117.00 122.46 1ija n LEU 75 Ca -0.17 0.35 0.15 0.00 -0.03 0.00 0.00 56.01 56.30 1ija n LEU 75 Cb 0.94 -0.34 0.69 0.00 -2.33 0.00 0.00 43.42 42.39 1ija n LEU 75 CO 0.44 -0.37 0.94 2.29 -1.33 0.00 0.00 177.39 179.36 1ija n LYS 76 N -1.45 0.92 -0.10 3.23 2.85 -1.22 -3.56 118.16 118.83 1ija n LYS 76 Ca -0.00 -0.28 -0.13 0.00 -1.05 0.00 0.00 58.31 56.85 1ija n LYS 76 Cb 0.23 -1.49 -0.11 0.00 -0.65 0.00 0.00 35.03 33.01 1ija n LYS 76 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ija n ALA 77 N -0.79 1.56 -0.78 0.58 0.00 0.71 -5.00 120.51 116.78 1ija n ALA 77 Ca 0.18 -0.96 -0.32 0.00 0.00 0.00 0.00 53.44 52.34 1ija n ALA 77 Cb 0.24 -0.02 0.11 0.00 0.00 0.00 0.00 19.45 19.78 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 -2.96 -4.07 -2.88 0.00 0.00 -1.17 -4.99 120.51 104.43 1ija n ALA 78 Ca -0.34 -1.26 -0.13 0.00 0.00 0.00 0.00 53.44 51.71 1ija n ALA 78 Cb 0.94 -1.10 -0.05 0.00 0.00 0.00 0.00 19.45 19.24 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 -2.83 1.70 0.27 0.00 1.02 -1.26 -5.07 119.74 113.57 1ija s LYS 79 Ca 0.44 -1.58 -0.28 0.00 0.02 0.00 0.00 55.97 54.56 1ija s LYS 79 Cb -0.02 0.43 -0.15 0.00 -0.52 0.00 0.00 37.83 37.57 1ija s LYS 79 CO 0.60 -0.69 0.93 1.63 -0.92 0.00 0.00 175.35 176.90 1ija n LYS 80 N -0.47 1.10 0.00 1.68 4.76 -1.26 -1.27 118.16 122.71 1ija n LYS 80 Ca 0.00 0.39 0.00 0.00 -2.87 0.00 0.00 58.31 55.83 1ija n LYS 80 Cb 0.62 -1.70 0.00 0.00 -1.84 0.00 0.00 35.03 32.11 1ija n LYS 80 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ija n GLY 81 N 1.40 1.98 3.55 0.72 0.00 -0.85 -4.99 105.19 106.99 1ija n GLY 81 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1ija n GLY 81 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ija s SER 82 N -1.61 4.71 1.26 1.61 1.04 -0.39 -4.59 113.70 115.73 1ija s SER 82 Ca 0.00 0.58 -0.20 0.00 0.48 0.00 0.00 55.95 56.81 1ija s SER 82 Cb 0.00 -2.52 0.31 0.00 0.10 0.00 0.00 66.02 63.91 1ija s SER 82 CO 0.00 -2.81 1.07 0.00 0.98 0.00 0.00 173.24 172.48 1ija s MET 83 N 7.82 -1.68 -0.12 4.02 0.23 -1.26 -2.97 119.30 125.34 1ija s MET 83 Ca 0.84 -0.02 -0.04 0.00 -1.03 0.00 0.00 55.69 55.45 1ija s MET 83 Cb -0.14 -1.54 0.06 0.00 -1.53 0.00 0.00 34.83 31.68 1ija s MET 83 CO 0.20 -4.02 0.19 0.08 -2.03 0.00 0.00 175.02 169.44 1ija s VAL 84 N -2.82 -0.29 -0.56 5.16 1.01 -1.13 -4.78 120.40 116.99 1ija s VAL 84 Ca 0.70 0.23 -0.19 0.00 0.00 0.00 0.00 61.98 62.72 1ija s VAL 84 Cb -0.11 -0.41 0.08 0.00 0.00 0.00 0.00 36.38 35.94 1ija s VAL 84 CO 0.57 0.05 0.69 -0.31 0.00 0.00 0.00 175.10 176.10 1ija s TYR 85 N 2.32 2.99 -0.41 5.22 2.02 -0.91 -2.40 117.35 126.18 1ija s TYR 85 Ca 0.03 -0.71 -0.18 0.00 -0.37 0.00 0.00 57.07 55.85 1ija s TYR 85 Cb -0.13 -3.81 0.02 0.00 -0.40 0.00 0.00 41.96 37.63 1ija s TYR 85 CO -0.08 -1.20 0.46 0.12 -1.57 0.00 0.00 175.55 173.29 1ija s PHE 86 N 2.79 3.16 0.00 2.71 5.36 -1.08 -2.53 117.98 128.40 1ija s PHE 86 Ca 0.14 -0.26 -0.03 0.00 -0.96 0.00 0.00 56.93 55.82 1ija s PHE 86 Cb -0.21 -2.94 -0.04 0.00 -0.34 0.00 0.00 43.02 39.49 1ija s PHE 86 CO 0.09 -0.69 0.20 0.21 -1.46 0.00 0.00 175.22 173.57 1ija s LYS 87 N 2.24 3.46 -0.19 10.12 2.20 -0.26 -1.62 119.74 135.69 1ija s LYS 87 Ca 0.14 -0.31 -0.22 0.00 -0.36 0.00 0.00 55.97 55.22 1ija s LYS 87 Cb -0.16 -3.08 0.06 0.00 -1.51 0.00 0.00 37.83 33.13 1ija s LYS 87 CO 0.14 0.66 0.60 0.14 -0.36 0.00 0.00 175.35 176.53 1ija s VAL 88 N -1.35 0.00 0.00 4.02 -7.23 -0.70 -1.17 120.40 113.98 1ija s VAL 88 Ca 0.28 -0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.43 1ija s VAL 88 Cb -0.13 -0.85 0.00 0.00 0.56 0.00 0.00 36.38 35.96 1ija s VAL 88 CO 0.20 -0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.58 1ija n GLY 89 N 2.40 0.49 0.46 2.32 0.00 -1.26 -0.19 105.19 109.40 1ija n GLY 89 Ca -0.15 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1ija n GLY 89 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ija n ASN 90 N 3.60 0.00 -4.58 1.61 6.94 -1.26 -5.09 115.26 116.48 1ija n ASN 90 Ca 0.00 -1.91 -0.27 0.00 -0.02 0.00 0.00 54.58 52.38 1ija n ASN 90 Cb 0.00 -0.18 -0.11 0.00 -2.36 0.00 0.00 39.78 37.13 1ija n ASN 90 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1ija s GLU 91 N 0.00 1.88 -0.21 -3.83 8.01 0.73 -5.14 118.70 120.14 1ija s GLU 91 Ca 0.00 -2.01 -0.07 0.00 0.01 0.00 0.00 54.97 52.90 1ija s GLU 91 Cb 0.00 -1.67 0.10 0.00 -4.31 0.00 0.00 34.13 28.24 1ija s GLU 91 CO 0.00 0.06 0.43 0.99 0.01 0.00 0.00 175.26 176.75 1ija s THR 92 N -2.65 -0.67 0.58 3.63 2.01 -1.26 -1.71 115.64 115.56 1ija s THR 92 Ca 0.34 0.13 -0.00 0.00 0.31 0.00 0.00 61.69 62.47 1ija s THR 92 Cb 0.06 -0.70 0.04 0.00 0.01 0.00 0.00 72.50 71.90 1ija s THR 92 CO 0.17 0.05 0.82 -0.13 -0.69 0.00 0.00 174.62 174.84 1ija s ARG 93 N 2.63 2.49 -0.12 4.92 3.00 -0.64 -4.92 118.95 126.31 1ija s ARG 93 Ca -0.00 -0.68 -0.04 0.00 0.00 0.00 0.00 55.73 55.01 1ija s ARG 93 Cb -0.12 -2.43 0.06 0.00 0.00 0.00 0.00 34.95 32.45 1ija s ARG 93 CO -0.13 -0.80 0.18 0.15 0.00 0.00 0.00 175.30 174.69 1ija s LYS 94 N -4.85 0.08 0.53 3.54 1.02 -1.26 -2.62 119.74 116.18 1ija s LYS 94 Ca 0.58 0.46 0.09 0.00 0.02 0.00 0.00 55.97 57.12 1ija s LYS 94 Cb -0.10 -0.55 0.06 0.00 -0.52 0.00 0.00 37.83 36.71 1ija s LYS 94 CO 0.40 -0.40 0.68 0.71 -0.92 0.00 0.00 175.35 175.82 1ija s TYR 95 N 2.30 1.81 -0.22 3.18 1.51 -1.01 -4.12 117.35 120.81 1ija s TYR 95 Ca 0.04 -0.65 -0.04 0.00 -1.01 0.00 0.00 57.07 55.40 1ija s TYR 95 Cb -0.13 -2.22 0.07 0.00 -0.11 0.00 0.00 41.96 39.58 1ija s TYR 95 CO -0.07 -0.87 0.10 0.21 -1.11 0.00 0.00 175.55 173.80 1ija s LYS 96 N -4.53 0.21 -0.10 -0.62 2.20 -1.06 -2.82 119.74 113.02 1ija s LYS 96 Ca 0.57 -0.31 -0.38 0.00 -0.36 0.00 0.00 55.97 55.48 1ija s LYS 96 Cb -0.06 -1.67 -0.16 0.00 -1.51 0.00 0.00 37.83 34.43 1ija s LYS 96 CO 0.35 -0.79 1.55 -0.12 -0.36 0.00 0.00 175.35 175.99 1ija n MET 97 N 5.22 1.18 0.00 4.03 0.00 -1.16 -3.01 117.12 123.38 1ija n MET 97 Ca -0.07 0.43 0.00 0.00 -0.00 0.00 0.00 57.70 58.06 1ija n MET 97 Cb 0.46 -2.10 0.00 0.00 0.00 0.00 0.00 33.22 31.59 1ija n MET 97 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1ija n THR 98 N 3.60 0.00 -3.25 1.12 -1.04 -1.26 -2.01 114.28 111.44 1ija n THR 98 Ca 0.22 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.27 1ija n THR 98 Cb 0.16 0.61 -0.02 0.00 -1.82 0.00 0.00 70.33 69.26 1ija n THR 98 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1ija s SER 99 N 0.00 -1.07 0.00 8.00 0.01 -1.09 -5.07 113.70 114.48 1ija s SER 99 Ca 0.00 0.86 0.00 0.00 1.31 0.00 0.00 55.95 58.12 1ija s SER 99 Cb 0.00 1.97 0.00 0.00 0.21 0.00 0.00 66.02 68.20 1ija s SER 99 CO 0.00 -0.20 0.00 2.30 0.41 0.00 0.00 173.24 175.75 1ija n ILE 100 N 5.40 0.00 0.00 1.44 -5.35 -1.26 -0.98 119.36 118.61 1ija n ILE 100 Ca -0.05 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 1ija n ILE 100 Cb 0.51 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.41 1ija n ILE 100 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1ija n ARG 101 N 0.00 0.00 -1.65 6.28 1.74 -1.05 -4.87 116.66 117.12 1ija n ARG 101 Ca 0.00 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1ija n ARG 101 Cb 0.00 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1ija n ARG 101 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1ija n ASP 102 N -1.78 -0.53 -3.26 0.55 5.68 -0.87 -4.76 116.55 111.58 1ija n ASP 102 Ca 0.00 0.21 -0.06 0.00 -0.50 0.00 0.00 54.79 54.45 1ija n ASP 102 Cb 0.00 -0.79 -0.04 0.00 -1.14 0.00 0.00 41.12 39.14 1ija n ASP 102 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1ija s VAL 103 N -1.45 -0.72 -1.06 2.12 0.11 -1.26 -4.96 120.40 113.18 1ija s VAL 103 Ca 0.00 -0.25 -0.18 0.00 -2.93 0.00 0.00 61.98 58.62 1ija s VAL 103 Cb 0.00 -0.92 0.01 0.00 -1.53 0.00 0.00 36.38 33.93 1ija s VAL 103 CO 0.00 -0.22 0.72 1.17 -3.33 0.00 0.00 175.10 173.44 1ija n LYS 104 N 5.26 -1.05 -1.45 1.54 3.00 -1.26 -4.71 118.16 119.49 1ija n LYS 104 Ca 0.03 0.52 -0.56 0.00 -0.00 0.00 0.00 58.31 58.30 1ija n LYS 104 Cb 0.51 -3.51 -0.07 0.00 0.00 0.00 0.00 35.03 31.95 1ija n LYS 104 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1ija n PRO 105 N -3.86 0.00 0.23 1.64 -0.02 -1.26 -4.84 135.00 126.89 1ija n PRO 105 Ca -0.13 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.47 1ija n PRO 105 Cb 0.60 -1.40 0.38 0.00 -0.02 0.00 0.00 33.50 33.05 1ija n PRO 105 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1ija h THR 106 N 2.68 0.19 0.00 3.45 1.35 -1.99 -3.46 112.91 115.13 1ija h THR 106 Ca -0.47 -0.99 0.00 0.00 -0.55 0.00 0.00 66.41 64.41 1ija h THR 106 Cb 1.40 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.66 1ija h THR 106 CO 0.62 0.09 0.00 -0.67 -0.25 0.00 0.00 175.52 175.31 1ija n ASP 107 N -3.16 0.00 -0.32 5.36 2.03 -1.26 -4.86 116.55 114.34 1ija n ASP 107 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 1ija n ASP 107 Cb 0.46 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 1ija n ASP 107 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1ija n VAL 108 N -2.00 0.00 -2.67 5.18 0.24 -1.26 -3.61 118.33 114.20 1ija n VAL 108 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.26 1ija n VAL 108 Cb 0.00 -0.32 0.11 0.00 -1.47 0.00 0.00 33.84 32.17 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 0.18 1.53 0.20 7.63 0.00 -1.26 -4.79 105.19 108.68 1ija n GLY 109 Ca 0.00 -0.14 0.03 0.00 0.00 0.00 0.00 46.02 45.91 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 2.88 1.22 0.00 1.61 -1.51 -1.98 -3.37 116.25 115.10 1ija h VAL 110 Ca -0.37 -1.05 0.00 0.00 -1.23 0.00 0.00 66.70 64.05 1ija h VAL 110 Cb 1.29 1.54 0.00 0.00 -2.13 0.00 0.00 31.29 31.99 1ija h VAL 110 CO -0.13 0.30 -0.13 0.18 -1.23 0.00 0.00 177.57 176.56 1ija n LEU 111 N -4.18 0.15 -3.75 4.19 4.77 -1.26 -5.05 117.00 111.87 1ija n LEU 111 Ca -0.02 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.68 1ija n LEU 111 Cb 0.35 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.46 1ija n LEU 111 CO 0.38 0.03 -0.12 -0.67 -1.33 0.00 0.00 177.39 175.68 1ija n ASP 112 N -1.06 -3.28 -0.72 -1.43 -0.08 -1.26 -4.85 116.55 103.87 1ija n ASP 112 Ca 0.00 -0.98 0.07 0.00 -1.51 0.00 0.00 54.79 52.37 1ija n ASP 112 Cb 0.07 -3.43 0.16 0.00 2.34 0.00 0.00 41.12 40.25 1ija n ASP 112 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1ija n GLU 113 N -4.24 2.47 0.00 -0.67 0.28 -1.26 -4.42 120.64 112.80 1ija n GLU 113 Ca -0.19 -2.00 0.00 0.00 -0.16 0.00 0.00 57.16 54.82 1ija n GLU 113 Cb 0.63 -1.31 0.00 0.00 1.43 0.00 0.00 31.44 32.19 1ija n GLU 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ija n GLN 114 N 0.72 0.00 -2.49 3.44 0.00 -1.26 -4.97 117.38 112.82 1ija n GLN 114 Ca 0.13 -0.06 -0.42 0.00 0.00 0.00 0.00 57.00 56.65 1ija n GLN 114 Cb 0.44 -0.32 -0.03 0.00 0.00 0.00 0.00 30.24 30.32 1ija n GLN 114 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1ija s LYS 115 N 0.00 4.52 -0.83 2.61 -0.14 -1.26 -4.86 119.74 119.78 1ija s LYS 115 Ca 0.00 1.71 -0.21 0.00 -1.36 0.00 0.00 55.97 56.11 1ija s LYS 115 Cb 0.00 -3.33 -0.19 0.00 -1.68 0.00 0.00 37.83 32.64 1ija s LYS 115 CO 0.00 -0.08 2.10 0.41 -0.76 0.00 0.00 175.35 177.02 1ija n GLY 116 N 2.64 -0.30 0.00 -3.33 0.00 -1.26 -4.74 105.19 98.20 1ija n GLY 116 Ca 0.06 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 7.62 0.00 -4.48 1.61 5.02 -1.26 -5.18 118.16 121.49 1ija n LYS 117 Ca 0.42 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.44 1ija n LYS 117 Cb 0.42 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.33 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 -0.24 4.05 0.04 4.39 2.15 -1.26 -5.05 116.67 120.75 1ija s ASP 118 Ca 0.00 -1.30 -0.31 0.00 0.43 0.00 0.00 52.55 51.37 1ija s ASP 118 Cb 0.00 -0.37 -0.16 0.00 -0.30 0.00 0.00 42.92 42.08 1ija s ASP 118 CO 0.00 -0.50 0.78 0.29 -0.17 0.00 0.00 175.17 175.57 1ija n LYS 119 N -1.06 0.00 -3.62 4.34 5.02 -1.26 -4.76 118.16 116.81 1ija n LYS 119 Ca -0.05 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.12 1ija n LYS 119 Cb 0.66 -1.15 -0.03 0.00 -0.02 0.00 0.00 35.03 34.49 1ija n LYS 119 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ija n GLN 120 N 1.15 0.59 -3.73 1.97 10.64 -0.89 -1.46 117.38 125.64 1ija n GLN 120 Ca 0.16 -2.39 -0.27 0.00 -1.83 0.00 0.00 57.00 52.68 1ija n GLN 120 Cb 0.10 2.29 -0.17 0.00 -0.86 0.00 0.00 30.24 31.61 1ija n GLN 120 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1ija s LEU 121 N 0.00 1.06 -0.94 2.61 2.96 -1.15 -3.00 118.68 120.22 1ija s LEU 121 Ca 0.25 -0.72 -0.15 0.00 -0.22 0.00 0.00 54.13 53.30 1ija s LEU 121 Cb -0.01 -0.56 0.20 0.00 0.50 0.00 0.00 46.19 46.33 1ija s LEU 121 CO 0.18 -0.29 0.99 -0.89 -1.32 0.00 0.00 176.35 175.01 1ija s THR 122 N 1.89 5.37 -0.18 3.68 2.01 0.21 -3.01 115.64 125.61 1ija s THR 122 Ca 0.00 -2.39 -0.29 0.00 0.31 0.00 0.00 61.69 59.32 1ija s THR 122 Cb -0.16 -4.62 -0.01 0.00 0.01 0.00 0.00 72.50 67.72 1ija s THR 122 CO -0.08 -1.25 1.14 -0.22 -0.69 0.00 0.00 174.62 173.53 1ija s LEU 123 N 0.78 4.16 -0.08 4.42 1.98 -1.10 -2.72 118.68 126.13 1ija s LEU 123 Ca 0.26 1.56 -0.03 0.00 -2.89 0.00 0.00 54.13 53.04 1ija s LEU 123 Cb -0.08 -3.54 -0.04 0.00 0.66 0.00 0.00 46.19 43.19 1ija s LEU 123 CO -0.08 -0.68 0.04 -0.63 -1.89 0.00 0.00 176.35 173.11 1ija s ILE 124 N 3.11 4.62 0.37 6.68 1.01 0.80 -2.64 121.20 135.15 1ija s ILE 124 Ca 0.50 -0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.98 1ija s ILE 124 Cb -0.19 -2.98 -0.02 0.00 0.01 0.00 0.00 42.46 39.28 1ija s ILE 124 CO 0.12 0.57 0.57 0.42 0.00 0.00 0.00 174.94 176.62 1ija s THR 125 N -0.96 4.73 -0.11 2.92 -4.23 -1.12 -0.35 115.64 116.52 1ija s THR 125 Ca 0.15 -0.54 -0.10 0.00 -1.18 0.00 0.00 61.69 60.02 1ija s THR 125 Cb -0.12 -3.72 0.03 0.00 1.34 0.00 0.00 72.50 70.03 1ija s THR 125 CO 0.04 -0.46 0.29 0.00 -0.54 0.00 0.00 174.62 173.95 1ija s ASP 127 N 0.21 -0.22 -0.78 0.00 2.15 -1.26 -2.96 116.67 113.81 1ija s ASP 127 Ca -0.00 0.37 -0.02 0.00 0.43 0.00 0.00 52.55 53.32 1ija s ASP 127 Cb -0.02 0.88 -0.03 0.00 -0.30 0.00 0.00 42.92 43.45 1ija s ASP 127 CO -0.00 -0.06 0.72 -0.67 -0.17 0.00 0.00 175.17 174.99 1ija n ASP 128 N 2.87 -6.86 -4.68 -0.34 -0.08 -1.26 -3.95 116.55 102.25 1ija n ASP 128 Ca -0.16 -0.30 -0.42 0.00 -1.51 0.00 0.00 54.79 52.41 1ija n ASP 128 Cb 0.57 -4.87 -0.03 0.00 2.34 0.00 0.00 41.12 39.13 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 -3.14 1.98 -0.15 -0.67 6.14 -1.26 -2.77 117.35 117.47 1ija s TYR 129 Ca 0.17 -0.04 -0.23 0.00 0.64 0.00 0.00 57.07 57.61 1ija s TYR 129 Cb -0.02 -4.13 -0.03 0.00 0.42 0.00 0.00 41.96 38.20 1ija s TYR 129 CO 0.68 -4.76 0.70 1.21 0.64 0.00 0.00 175.55 174.01 1ija s ASN 130 N 3.11 6.84 0.00 4.32 2.47 -0.79 -4.78 114.94 126.11 1ija s ASN 130 Ca 0.81 1.02 0.16 0.00 0.42 0.00 0.00 52.86 55.26 1ija s ASN 130 Cb -0.43 -2.39 0.50 0.00 -1.45 0.00 0.00 41.25 37.48 1ija s ASN 130 CO 0.36 -0.25 1.39 -1.84 -3.72 0.00 0.00 177.10 173.04 1ija n GLU 131 N 4.71 1.88 -0.04 0.43 0.28 -1.26 -2.60 120.64 124.03 1ija n GLU 131 Ca -0.00 -1.35 -0.02 0.00 -0.16 0.00 0.00 57.16 55.63 1ija n GLU 131 Cb 0.50 -1.35 -0.02 0.00 1.43 0.00 0.00 31.44 32.00 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 2.38 -0.04 -0.02 3.44 1.57 -1.92 -3.36 116.57 118.63 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 0.54 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1ija h LYS 132 CO 0.00 0.11 -0.33 0.25 -0.57 0.00 0.00 179.45 178.91 1ija n THR 133 N -4.78 0.00 -2.70 -0.16 -2.24 -1.26 -4.96 114.28 98.17 1ija n THR 133 Ca -0.02 -0.26 -0.08 0.00 -2.27 0.00 0.00 64.05 61.43 1ija n THR 133 Cb 0.08 1.01 0.04 0.00 -2.10 0.00 0.00 70.33 69.35 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 1.37 0.18 3.20 3.38 0.00 -1.15 -5.05 105.19 107.13 1ija n GLY 134 Ca 0.11 -0.26 -0.10 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 -3.14 0.12 -0.16 1.61 1.01 -1.07 -5.03 120.40 113.74 1ija s VAL 135 Ca 0.08 -1.01 -0.29 0.00 0.00 0.00 0.00 61.98 60.76 1ija s VAL 135 Cb -0.03 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 1ija s VAL 135 CO 0.30 -0.56 1.93 0.26 0.00 0.00 0.00 175.10 177.03 1ija s TRP 136 N -3.20 1.54 0.00 5.22 0.52 -1.26 -1.88 118.94 119.87 1ija s TRP 136 Ca -0.00 0.28 0.00 0.00 0.02 0.00 0.00 56.10 56.40 1ija s TRP 136 Cb 0.02 -4.04 0.00 0.00 -1.15 0.00 0.00 33.47 28.30 1ija s TRP 136 CO -0.07 -4.04 0.36 -1.91 0.02 0.00 0.00 176.95 171.31 1ija n GLU 137 N 8.05 0.00 -0.78 4.98 2.13 -1.12 -4.44 120.64 129.47 1ija n GLU 137 Ca 0.23 0.36 -0.28 0.00 0.66 0.00 0.00 57.16 58.13 1ija n GLU 137 Cb 0.44 -0.78 0.23 0.00 0.27 0.00 0.00 31.44 31.60 1ija n GLU 137 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1ija s LYS 138 N -0.87 -0.59 -0.30 5.31 1.02 -1.25 -4.99 119.74 118.07 1ija s LYS 138 Ca 0.00 0.66 -0.05 0.00 0.02 0.00 0.00 55.97 56.60 1ija s LYS 138 Cb 0.00 -1.61 0.18 0.00 -0.52 0.00 0.00 37.83 35.88 1ija s LYS 138 CO 0.00 -3.45 0.67 0.50 -0.92 0.00 0.00 175.35 172.15 1ija s ARG 139 N -4.66 0.52 0.06 1.68 3.00 -1.26 -4.83 118.95 113.46 1ija s ARG 139 Ca 0.67 1.01 0.01 0.00 -1.00 0.00 0.00 55.73 56.42 1ija s ARG 139 Cb -0.22 0.57 -0.03 0.00 0.00 0.00 0.00 34.95 35.27 1ija s ARG 139 CO 0.62 -0.48 -0.06 0.15 0.00 0.00 0.00 175.30 175.54 1ija s LYS 140 N 2.86 0.64 0.12 5.12 1.02 -1.26 -4.76 119.74 123.47 1ija s LYS 140 Ca 0.13 -1.06 -0.13 0.00 0.02 0.00 0.00 55.97 54.93 1ija s LYS 140 Cb -0.14 -0.12 0.02 0.00 -0.52 0.00 0.00 37.83 37.08 1ija s LYS 140 CO -0.19 -0.02 0.32 0.96 -0.92 0.00 0.00 175.35 175.49 1ija s ILE 141 N -2.75 0.10 0.06 2.17 -4.36 -1.26 -2.80 121.20 112.35 1ija s ILE 141 Ca 0.01 -0.87 0.00 0.00 -0.26 0.00 0.00 60.65 59.54 1ija s ILE 141 Cb -0.01 -1.29 -0.04 0.00 1.25 0.00 0.00 42.46 42.38 1ija s ILE 141 CO -0.04 -0.44 -0.05 0.72 0.24 0.00 0.00 174.94 175.38 1ija s PHE 142 N -3.84 0.63 -0.18 1.37 -0.71 -1.08 -2.05 117.98 112.12 1ija s PHE 142 Ca 0.05 -0.87 -0.04 0.00 -1.04 0.00 0.00 56.93 55.02 1ija s PHE 142 Cb 0.03 -0.41 0.08 0.00 -1.21 0.00 0.00 43.02 41.52 1ija s PHE 142 CO -0.11 -0.24 0.20 0.08 -1.34 0.00 0.00 175.22 173.81 1ija s VAL 143 N -3.16 -0.29 0.53 -2.49 1.01 -0.15 -2.73 120.40 113.12 1ija s VAL 143 Ca 0.03 -0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.05 1ija s VAL 143 Cb 0.02 -0.61 0.06 0.00 0.00 0.00 0.00 36.38 35.86 1ija s VAL 143 CO -0.06 -0.16 0.72 0.00 0.00 0.00 0.00 175.10 175.61 1ija s ALA 144 N 2.30 4.56 -0.02 5.51 0.00 -1.16 -2.68 121.76 130.27 1ija s ALA 144 Ca 0.05 -1.92 0.00 0.00 0.00 0.00 0.00 51.96 50.10 1ija s ALA 144 Cb -0.15 -1.57 0.02 0.00 0.00 0.00 0.00 23.12 21.41 1ija s ALA 144 CO -0.11 -0.68 0.00 -0.08 0.00 0.00 0.00 175.76 174.90 1ija s THR 145 N -2.58 0.08 0.17 0.00 -1.32 -1.16 -2.91 115.64 107.91 1ija s THR 145 Ca 0.59 0.07 -0.32 0.00 -1.21 0.00 0.00 61.69 60.83 1ija s THR 145 Cb -0.07 -0.15 -0.11 0.00 -1.51 0.00 0.00 72.50 70.66 1ija s THR 145 CO 0.37 0.08 1.78 -0.70 -2.21 0.00 0.00 174.62 173.94 1ija s GLU 146 N 0.62 4.13 0.00 7.08 2.12 -0.54 -2.57 118.70 129.54 1ija s GLU 146 Ca -0.06 2.61 0.00 0.00 0.36 0.00 0.00 54.97 57.88 1ija s GLU 146 Cb -0.08 -3.33 0.00 0.00 0.26 0.00 0.00 34.13 30.98 1ija s GLU 146 CO -0.01 -0.80 0.00 1.33 -0.54 0.00 0.00 175.26 175.24 1ija n VAL 147 N 4.35 0.00 -0.77 3.70 0.24 -1.26 -4.90 118.33 119.69 1ija n VAL 147 Ca 0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.47 1ija n VAL 147 Cb 0.37 -1.39 0.00 0.00 -1.47 0.00 0.00 33.84 31.34 1ija n VAL 147 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98