#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 0.33 -1.41 3.17 -2.07 -1.26 -5.03 119.66 113.39 1ija s GLN 2 Ca 0.00 0.48 -0.09 0.00 -1.82 0.00 0.00 55.36 53.93 1ija s GLN 2 Cb 0.00 0.12 -0.08 0.00 -1.09 0.00 0.00 33.01 31.96 1ija s GLN 2 CO 0.00 -0.05 2.69 0.00 -1.32 0.00 0.00 175.29 176.60 1ija n ALA 3 N 2.81 6.65 -2.98 2.60 0.00 -1.26 -4.38 120.51 123.95 1ija n ALA 3 Ca -0.15 -3.08 -0.15 0.00 0.00 0.00 0.00 53.44 50.06 1ija n ALA 3 Cb 0.57 -3.27 0.01 0.00 0.00 0.00 0.00 19.45 16.75 1ija n ALA 3 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ija n LYS 4 N 3.86 0.87 0.00 0.00 5.02 -1.26 -4.94 118.16 121.72 1ija n LYS 4 Ca 0.68 -2.61 0.00 0.00 -2.02 0.00 0.00 58.31 54.36 1ija n LYS 4 Cb 0.21 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 1ija n LYS 4 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1ija n PRO 5 N 0.89 2.70 -1.94 1.97 -0.04 -1.26 -4.86 135.00 132.46 1ija n PRO 5 Ca 0.16 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.21 1ija n PRO 5 Cb 0.63 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.06 1ija n PRO 5 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1ija s GLN 6 N 0.00 2.92 -0.34 0.54 0.74 -1.26 -4.89 119.66 117.38 1ija s GLN 6 Ca 0.00 1.17 0.03 0.00 0.05 0.00 0.00 55.36 56.61 1ija s GLN 6 Cb 0.00 -4.32 0.16 0.00 1.10 0.00 0.00 33.01 29.95 1ija s GLN 6 CO 0.00 -2.36 0.40 0.42 -0.55 0.00 0.00 175.29 173.21 1ija s ILE 7 N 8.40 -0.52 -0.38 -2.34 1.01 -1.26 -4.92 121.20 121.19 1ija s ILE 7 Ca 0.79 -0.57 -0.40 0.00 0.00 0.00 0.00 60.65 60.46 1ija s ILE 7 Cb -0.19 -0.76 -0.15 0.00 0.01 0.00 0.00 42.46 41.37 1ija s ILE 7 CO 0.28 -0.40 1.97 -2.65 0.00 0.00 0.00 174.94 174.14 1ija n PRO 8 N 4.80 0.74 0.04 2.79 -0.02 -1.26 -4.77 135.00 137.32 1ija n PRO 8 Ca 0.06 0.24 0.03 0.00 -2.02 0.00 0.00 63.50 61.80 1ija n PRO 8 Cb 0.48 -2.02 0.14 0.00 -0.02 0.00 0.00 33.50 32.08 1ija n PRO 8 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1ija n LYS 9 N 6.69 0.03 -2.40 -0.52 2.85 -1.26 -4.34 118.16 119.20 1ija n LYS 9 Ca 0.39 0.53 -0.40 0.00 -1.05 0.00 0.00 58.31 57.77 1ija n LYS 9 Cb 0.10 -1.60 -0.03 0.00 -0.65 0.00 0.00 35.03 32.85 1ija n LYS 9 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1ija s ASP 10 N -3.24 5.93 0.00 -5.58 1.11 -1.26 -4.81 116.67 108.82 1ija s ASP 10 Ca -0.01 -0.17 0.00 0.00 0.18 0.00 0.00 52.55 52.55 1ija s ASP 10 Cb 0.01 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.45 1ija s ASP 10 CO 0.05 -1.96 0.45 0.29 1.18 0.00 0.00 175.17 175.17 1ija n LYS 11 N 9.26 0.00 -2.07 8.23 5.02 -1.26 -1.58 118.16 135.76 1ija n LYS 11 Ca 0.08 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.18 1ija n LYS 11 Cb 0.50 -1.46 0.03 0.00 -0.02 0.00 0.00 35.03 34.08 1ija n LYS 11 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1ija n SER 12 N -0.95 4.31 -3.87 4.39 7.64 -1.26 -4.75 113.62 119.13 1ija n SER 12 Ca 0.00 -3.51 -0.12 0.00 1.01 0.00 0.00 58.87 56.25 1ija n SER 12 Cb 0.00 -0.37 -0.12 0.00 -1.01 0.00 0.00 64.21 62.71 1ija n SER 12 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1ija s LYS 13 N -3.59 0.22 0.79 1.43 -0.14 -0.61 -5.14 119.74 112.70 1ija s LYS 13 Ca 0.47 -0.09 -0.14 0.00 -1.36 0.00 0.00 55.97 54.85 1ija s LYS 13 Cb 0.40 0.09 0.05 0.00 -1.68 0.00 0.00 37.83 36.69 1ija s LYS 13 CO 0.02 -0.04 1.07 0.28 -0.76 0.00 0.00 175.35 175.92 1ija n VAL 14 N 2.48 2.15 -1.08 3.17 0.31 -1.26 -4.38 118.33 119.71 1ija n VAL 14 Ca -0.16 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 1ija n VAL 14 Cb 0.58 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.38 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 -3.06 0.66 0.00 3.52 0.00 -1.12 -4.78 120.51 115.73 1ija n ALA 15 Ca 0.13 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1ija n ALA 15 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 -1.74 3.03 0.00 0.00 -1.25 -4.71 105.19 100.53 1ija n GLY 16 Ca 0.00 -1.20 -0.13 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.72 -0.37 0.05 1.61 1.51 -0.72 -3.05 117.35 113.65 1ija s TYR 17 Ca 0.00 0.87 -0.09 0.00 -1.01 0.00 0.00 57.07 56.84 1ija s TYR 17 Cb 0.00 0.01 -0.05 0.00 -0.11 0.00 0.00 41.96 41.81 1ija s TYR 17 CO 0.00 -0.29 0.36 -1.50 -1.11 0.00 0.00 175.55 173.01 1ija s ILE 18 N 1.78 5.15 -0.11 2.71 1.10 -0.54 -0.99 121.20 130.30 1ija s ILE 18 Ca -0.05 0.42 -0.06 0.00 -0.51 0.00 0.00 60.65 60.46 1ija s ILE 18 Cb -0.11 -3.63 0.05 0.00 0.15 0.00 0.00 42.46 38.92 1ija s ILE 18 CO -0.09 0.35 0.26 -0.70 -2.11 0.00 0.00 174.94 172.66 1ija s GLU 19 N -1.75 0.22 -0.09 3.50 2.12 -0.98 -2.62 118.70 119.10 1ija s GLU 19 Ca 0.30 0.57 -0.04 0.00 0.36 0.00 0.00 54.97 56.16 1ija s GLU 19 Cb -0.14 -0.11 0.05 0.00 0.26 0.00 0.00 34.13 34.19 1ija s GLU 19 CO 0.17 -0.17 0.19 0.42 -0.54 0.00 0.00 175.26 175.32 1ija s ILE 20 N 1.38 -0.13 0.03 -3.70 1.01 -0.84 -2.29 121.20 116.65 1ija s ILE 20 Ca -0.08 0.22 -0.17 0.00 0.00 0.00 0.00 60.65 60.61 1ija s ILE 20 Cb -0.10 -0.31 -0.26 0.00 0.01 0.00 0.00 42.46 41.79 1ija s ILE 20 CO -0.09 0.09 1.10 1.55 0.00 0.00 0.00 174.94 177.59 1ija h PRO 21 N 7.56 0.53 0.00 2.79 0.13 -1.87 0.14 132.00 141.28 1ija h PRO 21 Ca -0.34 -0.63 0.00 0.00 -0.87 0.00 0.00 66.00 64.16 1ija h PRO 21 Cb 1.14 0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1ija h PRO 21 CO 0.32 1.25 0.23 -0.25 -0.23 0.00 0.00 178.00 179.33 1ija n ASP 22 N -4.01 0.22 -0.03 1.44 8.00 -1.26 0.10 116.55 121.01 1ija n ASP 22 Ca -0.12 0.48 0.00 0.00 0.71 0.00 0.00 54.79 55.86 1ija n ASP 22 Cb 0.83 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 1ija n ASP 22 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ija n ALA 23 N -1.48 1.36 -4.48 2.24 0.00 -1.17 -4.25 120.51 112.72 1ija n ALA 23 Ca -0.01 -0.71 -0.42 0.00 0.00 0.00 0.00 53.44 52.31 1ija n ALA 23 Cb 0.25 -0.03 -0.07 0.00 0.00 0.00 0.00 19.45 19.59 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 -0.17 -2.04 -4.88 0.00 5.68 0.11 -4.62 116.55 110.64 1ija n ASP 24 Ca 0.00 -1.19 -0.34 0.00 -0.50 0.00 0.00 54.79 52.76 1ija n ASP 24 Cb 0.44 -1.76 -0.05 0.00 -1.14 0.00 0.00 41.12 38.62 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 -3.24 5.13 -0.43 2.12 1.01 0.27 -4.95 121.20 121.11 1ija s ILE 25 Ca 0.82 0.33 0.02 0.00 0.00 0.00 0.00 60.65 61.82 1ija s ILE 25 Cb -0.47 -3.63 0.19 0.00 0.01 0.00 0.00 42.46 38.56 1ija s ILE 25 CO 1.00 0.23 0.84 -0.75 0.00 0.00 0.00 174.94 176.27 1ija s LYS 26 N -2.08 0.70 0.05 2.79 2.20 -1.25 -1.99 119.74 120.15 1ija s LYS 26 Ca 0.35 -0.57 -0.01 0.00 -0.36 0.00 0.00 55.97 55.38 1ija s LYS 26 Cb -0.13 -0.00 -0.04 0.00 -1.51 0.00 0.00 37.83 36.15 1ija s LYS 26 CO 0.19 -0.90 -0.03 -1.21 -0.36 0.00 0.00 175.35 173.04 1ija s GLU 27 N 1.22 0.60 0.64 4.03 0.41 -1.08 -4.98 118.70 119.55 1ija s GLU 27 Ca 0.24 -1.19 -0.11 0.00 -0.41 0.00 0.00 54.97 53.50 1ija s GLU 27 Cb 0.03 0.20 -0.02 0.00 -1.78 0.00 0.00 34.13 32.56 1ija s GLU 27 CO -0.08 -0.11 1.04 -1.25 -0.49 0.00 0.00 175.26 174.37 1ija s PRO 28 N -3.80 3.35 -0.14 0.39 0.04 -1.26 -1.46 135.00 132.11 1ija s PRO 28 Ca 0.06 0.62 -0.03 0.00 0.04 0.00 0.00 61.00 61.69 1ija s PRO 28 Cb 0.07 -2.08 0.05 0.00 0.04 0.00 0.00 34.50 32.58 1ija s PRO 28 CO -0.10 -0.70 0.05 0.08 0.04 0.00 0.00 177.00 176.38 1ija s VAL 29 N -3.21 0.18 0.81 -0.36 1.01 -1.17 -3.91 120.40 113.75 1ija s VAL 29 Ca 0.56 -0.15 -0.11 0.00 0.00 0.00 0.00 61.98 62.27 1ija s VAL 29 Cb -0.11 -0.65 0.09 0.00 0.00 0.00 0.00 36.38 35.72 1ija s VAL 29 CO 0.53 -0.10 1.16 -0.31 0.00 0.00 0.00 175.10 176.38 1ija s TYR 30 N 2.03 2.72 -0.07 5.22 1.51 -0.58 -2.81 117.35 125.37 1ija s TYR 30 Ca 0.02 0.61 -0.13 0.00 -1.01 0.00 0.00 57.07 56.56 1ija s TYR 30 Cb -0.15 -3.52 -0.05 0.00 -0.11 0.00 0.00 41.96 38.13 1ija s TYR 30 CO -0.07 -1.83 0.33 -1.25 -1.11 0.00 0.00 175.55 171.62 1ija s PRO 31 N -5.55 3.92 0.00 -1.71 0.04 -1.26 -2.83 135.00 127.61 1ija s PRO 31 Ca 0.63 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.90 1ija s PRO 31 Cb -0.10 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.17 1ija s PRO 31 CO 0.49 0.57 0.00 0.41 0.04 0.00 0.00 177.00 178.50 1ija n GLY 32 N 2.32 1.53 3.63 0.56 0.00 -1.26 -4.39 105.19 107.58 1ija n GLY 32 Ca -0.14 -1.41 -0.43 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.87 3.87 -0.75 1.61 0.04 -1.26 -3.52 135.00 133.12 1ija s PRO 33 Ca 0.00 1.55 -0.13 0.00 0.04 0.00 0.00 61.00 62.46 1ija s PRO 33 Cb 0.00 -3.97 -0.21 0.00 0.04 0.00 0.00 34.50 30.36 1ija s PRO 33 CO 0.00 -1.19 1.96 0.00 0.04 0.00 0.00 177.00 177.82 1ija n ALA 34 N 8.02 0.73 -2.70 8.56 0.00 -0.95 -4.85 120.51 129.32 1ija n ALA 34 Ca 0.17 -1.13 -0.28 0.00 0.00 0.00 0.00 53.44 52.20 1ija n ALA 34 Cb 0.46 -2.29 -0.07 0.00 0.00 0.00 0.00 19.45 17.54 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 5.12 3.99 0.16 0.00 -4.23 -1.26 -4.99 115.64 114.42 1ija s THR 35 Ca 0.90 -1.16 -0.13 0.00 -1.18 0.00 0.00 61.69 60.12 1ija s THR 35 Cb -0.43 -2.96 0.05 0.00 1.34 0.00 0.00 72.50 70.50 1ija s THR 35 CO 0.30 -0.00 1.70 1.55 -0.54 0.00 0.00 174.62 177.63 1ija h PRO 36 N 2.99 0.81 0.00 3.99 0.13 -1.98 -0.32 132.00 137.62 1ija h PRO 36 Ca -0.47 -0.16 -0.02 0.00 -0.87 0.00 0.00 66.00 64.48 1ija h PRO 36 Cb 1.18 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 1ija h PRO 36 CO 0.60 0.72 -0.11 1.05 -0.23 0.00 0.00 178.00 180.02 1ija h GLU 37 N 0.73 0.00 0.00 0.86 4.11 -1.97 -2.38 114.58 115.92 1ija h GLU 37 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.61 1ija h GLU 37 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1ija h GLU 37 CO -0.01 0.11 -0.13 0.37 0.07 0.00 0.00 179.01 179.42 1ija h GLN 38 N 0.00 0.00 0.00 1.06 -0.00 -1.80 -3.30 115.11 111.06 1ija h GLN 38 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1ija h GLN 38 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.72 1ija h GLN 38 CO 0.01 0.00 0.43 1.28 0.00 0.00 0.00 178.83 180.55 1ija n LEU 39 N -3.74 0.16 0.24 -2.39 4.77 -0.18 0.85 117.00 116.71 1ija n LEU 39 Ca -0.02 0.38 0.12 0.00 -0.03 0.00 0.00 56.01 56.47 1ija n LEU 39 Cb 0.07 -0.29 0.75 0.00 -2.33 0.00 0.00 43.42 41.62 1ija n LEU 39 CO 0.03 -0.44 1.11 0.78 -1.33 0.00 0.00 177.39 177.54 1ija h ASN 40 N 0.00 0.00 1.76 -1.43 -0.26 -1.51 0.72 115.58 114.86 1ija h ASN 40 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1ija h ASN 40 Cb 0.86 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.12 1ija h ASN 40 CO 0.00 0.00 0.00 0.03 -1.06 0.00 0.00 177.43 176.40 1ija h ARG 41 N 0.00 0.00 0.00 0.81 3.08 0.23 -3.49 114.38 115.01 1ija h ARG 41 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1ija h ARG 41 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1ija h ARG 41 CO -0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1ija n GLY 42 N 1.17 -0.90 3.13 0.04 0.00 0.25 -5.10 105.19 103.78 1ija n GLY 42 Ca 0.05 0.33 -0.12 0.00 0.00 0.00 0.00 46.02 46.27 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 0.66 0.01 1.61 1.01 -1.25 -4.20 120.40 118.23 1ija s VAL 43 Ca 0.00 -1.53 -0.17 0.00 0.00 0.00 0.00 61.98 60.28 1ija s VAL 43 Cb 0.00 -1.19 0.03 0.00 0.00 0.00 0.00 36.38 35.22 1ija s VAL 43 CO 0.00 -0.62 0.36 -0.55 0.00 0.00 0.00 175.10 174.29 1ija s SER 44 N -2.34 -0.23 1.19 3.32 0.15 -1.19 -1.53 113.70 113.06 1ija s SER 44 Ca 0.02 0.06 -0.16 0.00 0.70 0.00 0.00 55.95 56.56 1ija s SER 44 Cb -0.02 0.36 0.24 0.00 -1.71 0.00 0.00 66.02 64.89 1ija s SER 44 CO -0.02 -0.54 0.59 0.49 1.20 0.00 0.00 173.24 174.95 1ija n PHE 45 N 0.93 -1.71 0.97 3.44 3.72 -1.13 -2.62 117.46 121.07 1ija n PHE 45 Ca -0.20 -0.13 0.14 0.00 -0.05 0.00 0.00 57.45 57.21 1ija n PHE 45 Cb 0.58 -1.58 0.58 0.00 -0.94 0.00 0.00 39.48 38.12 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 -4.89 2.39 -3.01 4.37 0.00 0.49 -2.24 120.51 117.62 1ija n ALA 46 Ca 0.03 -0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.24 1ija n ALA 46 Cb 0.57 -1.45 -0.07 0.00 0.00 0.00 0.00 19.45 18.49 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 -3.01 0.80 0.15 0.00 0.41 -1.25 -3.78 118.70 112.02 1ija s GLU 47 Ca 0.14 -0.50 -0.13 0.00 -0.41 0.00 0.00 54.97 54.06 1ija s GLU 47 Cb 0.18 0.34 0.03 0.00 -1.78 0.00 0.00 34.13 32.91 1ija s GLU 47 CO 0.54 -0.25 1.66 1.05 -0.49 0.00 0.00 175.26 177.77 1ija h GLU 48 N 3.26 0.80 -0.20 1.61 4.11 -1.88 -2.91 114.58 119.37 1ija h GLU 48 Ca -0.32 -0.19 0.00 0.00 0.07 0.00 0.00 59.36 58.93 1ija h GLU 48 Cb 1.20 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1ija h GLU 48 CO 0.46 0.77 0.00 0.09 0.07 0.00 0.00 179.01 180.39 1ija n ASN 49 N -4.46 0.97 -4.55 3.06 4.13 -1.26 -4.33 115.26 108.81 1ija n ASN 49 Ca 0.01 -2.01 -0.31 0.00 1.68 0.00 0.00 54.58 53.95 1ija n ASN 49 Cb 0.22 -0.13 -0.04 0.00 -1.54 0.00 0.00 39.78 38.29 1ija n ASN 49 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1ija s GLU 50 N -1.76 2.25 0.64 3.52 0.41 -1.10 -4.93 118.70 117.73 1ija s GLU 50 Ca 0.12 0.73 0.02 0.00 -0.41 0.00 0.00 54.97 55.42 1ija s GLU 50 Cb 0.06 -4.63 0.09 0.00 -1.78 0.00 0.00 34.13 27.87 1ija s GLU 50 CO 0.08 -3.33 0.89 -1.54 -0.49 0.00 0.00 175.26 170.87 1ija s SER 51 N 10.03 4.77 0.03 -0.19 1.04 -1.26 -4.97 113.70 123.14 1ija s SER 51 Ca 0.83 -0.33 0.29 0.00 0.48 0.00 0.00 55.95 57.21 1ija s SER 51 Cb -0.13 -0.25 1.18 0.00 0.10 0.00 0.00 66.02 66.92 1ija s SER 51 CO 0.17 -1.54 1.91 0.00 0.98 0.00 0.00 173.24 174.76 1ija n LEU 52 N -2.57 0.11 -0.50 2.42 -0.00 -1.26 -2.93 117.00 112.26 1ija n LEU 52 Ca 0.13 0.51 0.10 0.00 -0.00 0.00 0.00 56.01 56.75 1ija n LEU 52 Cb 0.60 -0.48 0.01 0.00 -0.00 0.00 0.00 43.42 43.56 1ija n LEU 52 CO 0.43 -0.03 0.33 0.47 -0.00 0.00 0.00 177.39 178.59 1ija n ASP 53 N -1.60 2.00 -4.69 1.45 9.92 -1.26 -4.96 116.55 117.42 1ija n ASP 53 Ca 0.07 -1.50 -0.43 0.00 -0.53 0.00 0.00 54.79 52.39 1ija n ASP 53 Cb 0.35 0.41 -0.03 0.00 -0.64 0.00 0.00 41.12 41.21 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 0.11 3.87 -0.11 -2.24 -0.08 -1.15 -4.75 116.55 112.21 1ija n ASP 54 Ca 0.09 1.00 0.22 0.00 -1.51 0.00 0.00 54.79 54.59 1ija n ASP 54 Cb 0.44 -1.52 0.34 0.00 2.34 0.00 0.00 41.12 42.72 1ija n ASP 54 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 1ija n GLN 55 N 5.38 0.02 -3.46 -0.67 -0.06 -1.26 -3.74 117.38 113.59 1ija n GLN 55 Ca 0.18 0.97 -0.08 0.00 -2.00 0.00 0.00 57.00 56.07 1ija n GLN 55 Cb 0.35 -2.46 -0.08 0.00 -4.06 0.00 0.00 30.24 23.99 1ija n GLN 55 CO 0.00 0.00 0.00 1.21 -0.20 0.00 0.00 177.06 178.07 1ija s ASN 56 N -3.34 -0.02 0.24 1.69 3.84 -1.26 -3.15 114.94 112.93 1ija s ASN 56 Ca -0.02 0.55 -0.00 0.00 0.21 0.00 0.00 52.86 53.60 1ija s ASN 56 Cb 0.11 1.25 -0.04 0.00 -0.55 0.00 0.00 41.25 42.02 1ija s ASN 56 CO 0.37 -0.27 0.44 -0.63 -2.79 0.00 0.00 177.10 174.22 1ija s ILE 57 N 2.58 5.17 -0.07 -5.21 1.09 -1.10 -4.96 121.20 118.69 1ija s ILE 57 Ca 0.08 -0.39 -0.03 0.00 -1.10 0.00 0.00 60.65 59.21 1ija s ILE 57 Cb -0.14 -3.77 0.04 0.00 -1.06 0.00 0.00 42.46 37.53 1ija s ILE 57 CO -0.15 -0.28 0.15 -0.55 -0.10 0.00 0.00 174.94 174.01 1ija s SER 58 N -3.40 0.48 0.16 3.58 0.15 -1.26 -0.88 113.70 112.53 1ija s SER 58 Ca 0.39 0.31 0.07 0.00 0.70 0.00 0.00 55.95 57.42 1ija s SER 58 Cb -0.11 0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 64.39 1ija s SER 58 CO 0.30 -0.21 -0.01 -0.63 1.20 0.00 0.00 173.24 173.89 1ija s ILE 59 N 1.91 3.71 -0.03 6.45 1.01 -1.08 0.18 121.20 133.34 1ija s ILE 59 Ca -0.01 -1.37 0.02 0.00 0.00 0.00 0.00 60.65 59.29 1ija s ILE 59 Cb -0.12 -2.84 0.01 0.00 0.01 0.00 0.00 42.46 39.52 1ija s ILE 59 CO -0.06 -0.06 -0.06 0.00 0.00 0.00 0.00 174.94 174.76 1ija s ALA 60 N -1.63 0.70 0.04 9.38 0.00 -1.08 0.01 121.76 129.18 1ija s ALA 60 Ca 0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 51.96 52.07 1ija s ALA 60 Cb -0.10 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 1ija s ALA 60 CO 0.18 0.05 -0.02 0.20 0.00 0.00 0.00 175.76 176.17 1ija s GLY 61 N 0.59 0.39 1.15 0.00 0.00 -1.04 -3.16 107.32 105.24 1ija s GLY 61 Ca -0.08 -1.02 -0.18 0.00 0.00 0.00 0.00 44.72 43.44 1ija s GLY 61 CO 0.00 -1.12 1.12 0.30 0.00 0.00 0.00 173.10 173.41 1ija s HIS 62 N -3.25 0.86 -0.36 1.90 3.76 -1.26 -0.06 115.29 116.88 1ija s HIS 62 Ca 0.01 0.56 0.07 0.00 -0.15 0.00 0.00 55.06 55.55 1ija s HIS 62 Cb 0.03 -3.47 0.19 0.00 1.11 0.00 0.00 32.58 30.44 1ija s HIS 62 CO -0.08 -3.61 0.60 0.99 -0.85 0.00 0.00 174.74 171.79 1ija s THR 63 N -3.07 -0.97 -0.51 1.30 2.01 -1.24 0.63 115.64 113.80 1ija s THR 63 Ca 0.70 -0.04 -0.20 0.00 0.31 0.00 0.00 61.69 62.46 1ija s THR 63 Cb -0.11 -0.41 0.06 0.00 0.01 0.00 0.00 72.50 72.05 1ija s THR 63 CO 0.56 -0.03 0.67 -0.36 -0.69 0.00 0.00 174.62 174.77 1ija s PHE 64 N 2.20 3.01 0.53 4.92 0.40 -1.26 -4.83 117.98 122.96 1ija s PHE 64 Ca 0.14 -0.47 0.19 0.00 -0.60 0.00 0.00 56.93 56.19 1ija s PHE 64 Cb -0.07 -3.61 1.38 0.00 0.51 0.00 0.00 43.02 41.23 1ija s PHE 64 CO -0.14 -1.08 2.16 0.82 0.70 0.00 0.00 175.22 177.68 1ija h ILE 65 N 5.88 0.90 -0.17 0.64 2.04 -1.97 0.93 117.51 125.77 1ija h ILE 65 Ca -0.27 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1ija h ILE 65 Cb 1.09 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 1ija h ILE 65 CO 0.98 0.00 0.00 -0.67 0.00 0.00 0.00 178.15 178.46 1ija n ASP 66 N -4.40 1.05 -3.02 1.72 -0.08 -1.26 -4.29 116.55 106.27 1ija n ASP 66 Ca -0.02 -2.03 -0.14 0.00 -1.51 0.00 0.00 54.79 51.09 1ija n ASP 66 Cb 0.11 -0.17 -0.04 0.00 2.34 0.00 0.00 41.12 43.37 1ija n ASP 66 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1ija n ARG 67 N 0.02 0.40 0.00 -0.67 0.63 0.32 -5.01 116.66 112.35 1ija n ARG 67 Ca 0.06 -2.51 0.00 0.00 -0.92 0.00 0.00 57.85 54.48 1ija n ARG 67 Cb 0.18 -1.55 0.00 0.00 0.45 0.00 0.00 32.46 31.54 1ija n ARG 67 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1ija n PRO 68 N 2.86 0.00 -2.94 -0.14 -0.02 -1.25 -3.04 135.00 130.47 1ija n PRO 68 Ca 0.23 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.57 1ija n PRO 68 Cb 0.53 -0.94 0.03 0.00 -0.02 0.00 0.00 33.50 33.10 1ija n PRO 68 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ija n ASN 69 N 0.52 -1.10 -3.42 2.55 3.02 -1.26 -4.71 115.26 110.86 1ija n ASN 69 Ca 0.00 -3.30 -0.17 0.00 -0.03 0.00 0.00 54.58 51.08 1ija n ASN 69 Cb 0.00 0.78 -0.10 0.00 -0.61 0.00 0.00 39.78 39.85 1ija n ASN 69 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1ija s TYR 70 N -0.71 -0.42 0.00 3.10 5.04 -1.17 -5.03 117.35 118.16 1ija s TYR 70 Ca 0.31 -0.04 0.00 0.00 -2.44 0.00 0.00 57.07 54.89 1ija s TYR 70 Cb 0.29 -0.42 0.00 0.00 0.35 0.00 0.00 41.96 42.17 1ija s TYR 70 CO -0.10 -0.83 0.00 1.04 -1.34 0.00 0.00 175.55 174.32 1ija n GLN 71 N 5.31 0.00 -0.18 4.97 3.00 -1.26 -0.92 117.38 128.30 1ija n GLN 71 Ca -0.03 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.05 1ija n GLN 71 Cb 0.47 0.00 0.25 0.00 0.00 0.00 0.00 30.24 30.97 1ija n GLN 71 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1ija n PHE 72 N 5.42 0.48 -0.36 1.08 3.01 0.21 -4.37 117.46 122.93 1ija n PHE 72 Ca 0.00 -0.24 0.31 0.00 1.01 0.00 0.00 57.45 58.53 1ija n PHE 72 Cb 0.00 0.00 0.64 0.00 -0.01 0.00 0.00 39.48 40.11 1ija n PHE 72 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1ija h THR 73 N 2.76 0.39 0.00 4.37 2.02 -0.86 -0.65 112.91 120.95 1ija h THR 73 Ca 0.00 -0.06 -0.33 0.00 0.77 0.00 0.00 66.41 66.79 1ija h THR 73 Cb 0.62 0.20 -0.06 0.00 -1.74 0.00 0.00 68.15 67.17 1ija h THR 73 CO 0.00 0.03 -2.33 0.59 0.37 0.00 0.00 175.52 174.18 1ija n ASN 74 N -4.44 0.07 -0.09 4.18 4.13 -1.26 -4.26 115.26 113.59 1ija n ASN 74 Ca 0.28 0.00 0.19 0.00 1.68 0.00 0.00 54.58 56.73 1ija n ASN 74 Cb 1.16 1.10 0.61 0.00 -1.54 0.00 0.00 39.78 41.10 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 0.18 0.00 3.41 5.85 -1.37 2.19 115.31 125.57 1ija h LEU 75 Ca -0.49 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1ija h LEU 75 Cb 2.10 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 43.11 1ija h LEU 75 CO 0.03 0.09 0.00 2.29 -0.34 0.00 0.00 178.44 180.51 1ija n LYS 76 N -4.41 0.20 -0.08 1.25 2.85 -0.99 -1.20 118.16 115.78 1ija n LYS 76 Ca 0.13 0.11 -0.06 0.00 -1.05 0.00 0.00 58.31 57.44 1ija n LYS 76 Cb 0.61 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 33.35 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 -1.16 1.73 -0.88 0.58 0.00 0.74 -5.00 120.51 116.52 1ija n ALA 77 Ca 0.06 -1.08 -0.36 0.00 0.00 0.00 0.00 53.44 52.06 1ija n ALA 77 Cb 0.06 -0.21 0.09 0.00 0.00 0.00 0.00 19.45 19.38 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 -2.59 -5.10 -2.22 0.00 0.00 -0.34 -4.97 120.51 105.29 1ija n ALA 78 Ca -0.25 -1.28 -0.08 0.00 0.00 0.00 0.00 53.44 51.83 1ija n ALA 78 Cb 1.00 -1.11 -0.09 0.00 0.00 0.00 0.00 19.45 19.24 1ija n ALA 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1ija s LYS 79 N -2.57 0.71 0.24 0.00 -2.85 -1.26 -5.07 119.74 108.94 1ija s LYS 79 Ca 0.44 -1.19 -0.30 0.00 -1.00 0.00 0.00 55.97 53.92 1ija s LYS 79 Cb -0.00 0.25 -0.15 0.00 -2.06 0.00 0.00 37.83 35.87 1ija s LYS 79 CO 0.67 -0.17 1.12 1.17 0.10 0.00 0.00 175.35 178.25 1ija n LYS 80 N 0.04 1.37 0.00 1.78 4.81 -1.26 -1.27 118.16 123.62 1ija n LYS 80 Ca -0.13 0.48 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 1ija n LYS 80 Cb 0.62 -1.94 0.00 0.00 0.02 0.00 0.00 35.03 33.72 1ija n LYS 80 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ija n GLY 81 N 1.66 3.05 3.64 3.14 0.00 -0.60 -5.01 105.19 111.07 1ija n GLY 81 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1ija n GLY 81 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ija s SER 82 N -0.41 6.14 1.13 1.61 0.01 -0.40 -4.64 113.70 117.15 1ija s SER 82 Ca 0.00 2.18 -0.18 0.00 1.31 0.00 0.00 55.95 59.26 1ija s SER 82 Cb 0.00 -2.52 0.26 0.00 0.21 0.00 0.00 66.02 63.96 1ija s SER 82 CO 0.00 -1.37 1.15 -0.04 0.41 0.00 0.00 173.24 173.39 1ija s MET 83 N 5.06 -0.64 -0.20 12.44 1.00 -1.26 -3.05 119.30 132.65 1ija s MET 83 Ca 0.87 -0.06 -0.04 0.00 0.00 0.00 0.00 55.69 56.46 1ija s MET 83 Cb -0.35 -1.66 0.08 0.00 0.00 0.00 0.00 34.83 32.89 1ija s MET 83 CO 0.36 -3.33 0.16 0.08 0.00 0.00 0.00 175.02 172.30 1ija s VAL 84 N -3.17 -0.22 -0.55 -6.03 1.01 -1.14 -4.81 120.40 105.49 1ija s VAL 84 Ca 0.71 -0.18 -0.19 0.00 0.00 0.00 0.00 61.98 62.32 1ija s VAL 84 Cb -0.10 -0.66 0.08 0.00 0.00 0.00 0.00 36.38 35.70 1ija s VAL 84 CO 0.55 -0.27 0.70 -0.31 0.00 0.00 0.00 175.10 175.77 1ija s TYR 85 N 2.24 2.99 -0.39 5.22 2.02 -0.97 -2.85 117.35 125.61 1ija s TYR 85 Ca 0.05 -0.69 -0.16 0.00 -0.37 0.00 0.00 57.07 55.89 1ija s TYR 85 Cb -0.16 -3.81 0.01 0.00 -0.40 0.00 0.00 41.96 37.60 1ija s TYR 85 CO -0.12 -1.20 0.40 0.12 -1.57 0.00 0.00 175.55 173.18 1ija s PHE 86 N 2.81 3.19 0.25 2.71 5.36 -1.11 -2.33 117.98 128.86 1ija s PHE 86 Ca 0.15 -0.24 -0.04 0.00 -0.96 0.00 0.00 56.93 55.84 1ija s PHE 86 Cb -0.21 -2.79 -0.05 0.00 -0.34 0.00 0.00 43.02 39.63 1ija s PHE 86 CO 0.10 -0.59 0.49 0.15 -1.46 0.00 0.00 175.22 173.91 1ija s LYS 87 N 2.07 3.60 0.11 10.12 1.02 -0.16 -0.96 119.74 135.54 1ija s LYS 87 Ca 0.12 -0.11 -0.13 0.00 0.02 0.00 0.00 55.97 55.87 1ija s LYS 87 Cb -0.17 -2.72 0.02 0.00 -0.52 0.00 0.00 37.83 34.44 1ija s LYS 87 CO 0.13 0.29 0.32 0.14 -0.92 0.00 0.00 175.35 175.31 1ija s VAL 88 N -1.99 0.10 0.00 3.17 -7.23 -0.68 -1.76 120.40 112.01 1ija s VAL 88 Ca 0.42 -0.81 -0.01 0.00 -1.81 0.00 0.00 61.98 59.77 1ija s VAL 88 Cb -0.11 -1.24 -0.06 0.00 0.56 0.00 0.00 36.38 35.53 1ija s VAL 88 CO 0.29 -0.44 1.32 0.61 -0.31 0.00 0.00 175.10 176.57 1ija n GLY 89 N -0.16 1.55 0.00 2.32 0.00 -1.26 -2.48 105.19 105.16 1ija n GLY 89 Ca -0.16 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 2.45 0.00 0.00 1.61 0.23 -1.26 -5.12 115.26 113.18 1ija n ASN 90 Ca 0.10 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.15 1ija n ASN 90 Cb 0.28 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.98 1ija n ASN 90 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 1ija n GLU 91 N -1.16 0.00 -3.76 -3.83 2.13 -1.03 -5.16 120.64 107.82 1ija n GLU 91 Ca 0.00 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.68 1ija n GLU 91 Cb 0.00 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 31.56 1ija n GLU 91 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1ija s THR 92 N -1.93 -0.06 0.43 6.31 -1.32 -1.26 -1.69 115.64 116.12 1ija s THR 92 Ca 0.00 0.21 -0.01 0.00 -1.21 0.00 0.00 61.69 60.68 1ija s THR 92 Cb 0.00 -0.15 -0.02 0.00 -1.51 0.00 0.00 72.50 70.82 1ija s THR 92 CO 0.00 0.09 0.67 -0.13 -2.21 0.00 0.00 174.62 173.03 1ija s ARG 93 N 1.15 3.26 -0.33 7.08 1.81 -0.13 -4.94 118.95 126.85 1ija s ARG 93 Ca -0.09 -0.29 0.00 0.00 -1.72 0.00 0.00 55.73 53.63 1ija s ARG 93 Cb -0.12 -2.54 0.14 0.00 -0.45 0.00 0.00 34.95 31.97 1ija s ARG 93 CO -0.04 -0.16 0.27 0.15 -0.68 0.00 0.00 175.30 174.84 1ija s LYS 94 N -4.54 0.47 0.72 3.54 1.02 -1.26 -2.76 119.74 116.93 1ija s LYS 94 Ca 0.46 -0.77 0.01 0.00 0.02 0.00 0.00 55.97 55.69 1ija s LYS 94 Cb -0.10 -0.93 0.14 0.00 -0.52 0.00 0.00 37.83 36.41 1ija s LYS 94 CO 0.39 -1.13 0.99 0.71 -0.92 0.00 0.00 175.35 175.39 1ija s TYR 95 N 1.65 1.31 -0.16 3.18 2.02 -1.13 -3.96 117.35 120.27 1ija s TYR 95 Ca 0.14 -0.42 -0.04 0.00 -0.37 0.00 0.00 57.07 56.39 1ija s TYR 95 Cb -0.17 -2.88 0.07 0.00 -0.40 0.00 0.00 41.96 38.58 1ija s TYR 95 CO -0.14 -1.76 0.21 0.21 -1.57 0.00 0.00 175.55 172.50 1ija s LYS 96 N -5.12 0.14 -0.81 -0.62 2.20 -1.08 -2.88 119.74 111.57 1ija s LYS 96 Ca 0.67 0.41 -0.25 0.00 -0.36 0.00 0.00 55.97 56.44 1ija s LYS 96 Cb -0.04 -0.72 -0.18 0.00 -1.51 0.00 0.00 37.83 35.37 1ija s LYS 96 CO 0.44 -0.48 2.48 -1.33 -0.36 0.00 0.00 175.35 176.10 1ija n MET 97 N 5.33 0.40 -0.85 4.03 2.81 -1.17 -2.62 117.12 125.05 1ija n MET 97 Ca -0.05 -0.13 0.05 0.00 -1.81 0.00 0.00 57.70 55.76 1ija n MET 97 Cb 0.50 -2.33 0.15 0.00 -0.71 0.00 0.00 33.22 30.83 1ija n MET 97 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1ija n THR 98 N 7.49 1.54 -2.81 2.03 -1.04 -0.90 -1.56 114.28 119.03 1ija n THR 98 Ca 0.55 -2.54 0.00 0.00 -2.04 0.00 0.00 64.05 60.02 1ija n THR 98 Cb 0.27 0.13 0.01 0.00 -1.82 0.00 0.00 70.33 68.91 1ija n THR 98 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1ija s SER 99 N -2.85 -0.58 0.33 8.00 0.15 -1.03 -4.88 113.70 112.84 1ija s SER 99 Ca 0.36 -0.41 -0.20 0.00 0.70 0.00 0.00 55.95 56.40 1ija s SER 99 Cb 0.37 0.75 -0.10 0.00 -1.71 0.00 0.00 66.02 65.33 1ija s SER 99 CO -0.10 -0.05 0.83 -0.63 1.20 0.00 0.00 173.24 174.50 1ija s ILE 100 N 1.64 4.48 0.00 6.45 -1.09 -1.26 -1.39 121.20 130.02 1ija s ILE 100 Ca 0.18 1.36 0.00 0.00 -2.23 0.00 0.00 60.65 59.96 1ija s ILE 100 Cb 0.04 -3.75 0.00 0.00 -1.58 0.00 0.00 42.46 37.17 1ija s ILE 100 CO -0.12 -0.05 0.00 0.54 -1.23 0.00 0.00 174.94 174.08 1ija n ARG 101 N 0.03 2.56 -0.28 2.79 1.74 -1.11 -4.90 116.66 117.49 1ija n ARG 101 Ca 0.03 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.11 1ija n ARG 101 Cb 0.52 -0.21 0.07 0.00 -1.02 0.00 0.00 32.46 31.82 1ija n ARG 101 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 1ija h ASP 102 N 0.00 -0.94 -3.39 0.55 2.03 0.24 -2.98 116.42 111.92 1ija h ASP 102 Ca 0.00 0.25 -0.55 0.00 -0.73 0.00 0.00 57.03 56.00 1ija h ASP 102 Cb 0.00 0.56 -0.03 0.00 -0.83 0.00 0.00 39.33 39.03 1ija h ASP 102 CO 0.00 -0.28 0.26 -0.69 -1.03 0.00 0.00 179.24 177.50 1ija s VAL 103 N -6.15 4.94 -0.84 4.15 1.01 -1.26 -4.18 120.40 118.06 1ija s VAL 103 Ca -0.14 1.82 -0.03 0.00 0.00 0.00 0.00 61.98 63.63 1ija s VAL 103 Cb 0.21 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.38 1ija s VAL 103 CO 0.74 0.20 0.65 1.17 0.00 0.00 0.00 175.10 177.85 1ija n LYS 104 N 3.85 -1.41 0.00 2.72 4.81 -1.26 -4.97 118.16 121.90 1ija n LYS 104 Ca 0.03 0.93 0.00 0.00 -0.87 0.00 0.00 58.31 58.40 1ija n LYS 104 Cb 0.51 -3.46 0.00 0.00 0.02 0.00 0.00 35.03 32.10 1ija n LYS 104 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1ija n PRO 105 N -2.59 0.00 -4.03 1.64 -0.04 -1.13 -4.88 135.00 123.97 1ija n PRO 105 Ca -0.20 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 62.98 1ija n PRO 105 Cb 0.63 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 34.05 1ija n PRO 105 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ija n THR 106 N 0.00 -2.67 -1.78 0.52 -2.24 -1.26 -4.95 114.28 101.90 1ija n THR 106 Ca 0.00 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1ija n THR 106 Cb 0.00 -2.32 0.00 0.00 -2.10 0.00 0.00 70.33 65.91 1ija n THR 106 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ija n ASP 107 N -2.94 0.00 -1.39 3.42 9.92 -1.26 -4.90 116.55 119.40 1ija n ASP 107 Ca -0.30 -0.33 0.00 0.00 -0.53 0.00 0.00 54.79 53.62 1ija n ASP 107 Cb 0.68 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.16 1ija n ASP 107 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1ija n VAL 108 N -0.43 1.57 0.00 2.53 0.24 -1.26 -4.85 118.33 116.14 1ija n VAL 108 Ca 0.00 -0.33 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 1ija n VAL 108 Cb 0.00 -1.32 0.00 0.00 -1.47 0.00 0.00 33.84 31.05 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 1.26 -0.81 0.19 7.63 0.00 -1.26 -4.48 105.19 107.73 1ija n GLY 109 Ca 0.00 -1.29 -0.12 0.00 0.00 0.00 0.00 46.02 44.61 1ija n GLY 109 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ija h VAL 110 N 0.00 1.30 -2.40 1.61 2.07 -2.02 -3.25 116.25 113.56 1ija h VAL 110 Ca 0.00 -1.26 -0.81 0.00 0.82 0.00 0.00 66.70 65.45 1ija h VAL 110 Cb 0.00 1.52 -0.27 0.00 -1.52 0.00 0.00 31.29 31.01 1ija h VAL 110 CO 0.00 0.40 0.95 0.18 0.02 0.00 0.00 177.57 179.12 1ija n LEU 111 N -4.41 7.11 -0.25 2.57 4.77 -1.26 -4.22 117.00 121.31 1ija n LEU 111 Ca -0.04 -5.36 -0.00 0.00 -0.03 0.00 0.00 56.01 50.58 1ija n LEU 111 Cb 0.38 -1.18 -0.00 0.00 -2.33 0.00 0.00 43.42 40.29 1ija n LEU 111 CO 0.42 1.98 0.10 -0.67 -1.33 0.00 0.00 177.39 177.89 1ija n ASP 112 N 0.24 -0.04 -0.34 -1.43 -0.08 -1.23 -4.93 116.55 108.74 1ija n ASP 112 Ca 0.42 -0.43 0.06 0.00 -1.51 0.00 0.00 54.79 53.33 1ija n ASP 112 Cb 0.28 0.01 0.01 0.00 2.34 0.00 0.00 41.12 43.76 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 0.00 1.67 -0.30 -0.67 -0.00 -1.26 -4.20 120.64 115.88 1ija n GLU 113 Ca -0.01 -0.82 0.11 0.00 -0.00 0.00 0.00 57.16 56.44 1ija n GLU 113 Cb 0.22 -1.18 0.28 0.00 -0.00 0.00 0.00 31.44 30.77 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 0.01 2.56 0.28 3.44 -0.00 -1.26 -4.22 117.38 118.18 1ija n GLN 114 Ca 0.06 -2.41 0.07 0.00 -0.00 0.00 0.00 57.00 54.72 1ija n GLN 114 Cb 0.28 -1.53 0.37 0.00 -0.00 0.00 0.00 30.24 29.35 1ija n GLN 114 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1ija h LYS 115 N 4.14 0.00 0.00 2.61 1.79 -1.97 -3.03 116.57 120.11 1ija h LYS 115 Ca 0.00 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 1ija h LYS 115 Cb 0.94 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.55 1ija h LYS 115 CO 0.00 0.00 -0.08 0.41 -1.08 0.00 0.00 179.45 178.70 1ija n GLY 116 N -1.32 0.13 0.00 3.86 0.00 -1.26 -5.14 105.19 101.45 1ija n GLY 116 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1ija n GLY 116 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ija n LYS 117 N 0.00 3.59 -4.34 1.61 3.00 -1.15 -5.12 118.16 115.76 1ija n LYS 117 Ca -0.08 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 57.99 1ija n LYS 117 Cb 0.36 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.31 1ija n LYS 117 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1ija s ASP 118 N -1.00 4.20 0.03 3.14 -1.08 -1.26 -5.03 116.67 115.66 1ija s ASP 118 Ca 0.00 -0.91 -0.39 0.00 -0.52 0.00 0.00 52.55 50.73 1ija s ASP 118 Cb 0.00 -0.58 -0.19 0.00 -1.46 0.00 0.00 42.92 40.70 1ija s ASP 118 CO 0.00 -0.15 1.19 0.29 0.52 0.00 0.00 175.17 177.02 1ija n LYS 119 N -0.91 0.47 -3.99 4.34 5.02 -1.26 -4.70 118.16 117.13 1ija n LYS 119 Ca -0.05 0.17 -0.10 0.00 -2.02 0.00 0.00 58.31 56.32 1ija n LYS 119 Cb 0.61 -1.73 -0.07 0.00 -0.02 0.00 0.00 35.03 33.83 1ija n LYS 119 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1ija s GLN 120 N 0.26 1.31 -0.17 1.97 0.00 -1.19 -0.12 119.66 121.72 1ija s GLN 120 Ca 0.89 -1.24 0.01 0.00 -0.00 0.00 0.00 55.36 55.01 1ija s GLN 120 Cb -1.14 0.40 0.01 0.00 0.00 0.00 0.00 33.01 32.28 1ija s GLN 120 CO 0.53 -0.50 -0.19 -1.17 0.00 0.00 0.00 175.29 173.97 1ija s LEU 121 N -3.00 2.24 -0.70 2.60 2.96 0.14 -2.71 118.68 120.20 1ija s LEU 121 Ca 0.21 -0.59 -0.14 0.00 -0.22 0.00 0.00 54.13 53.39 1ija s LEU 121 Cb 0.02 -1.50 0.18 0.00 0.50 0.00 0.00 46.19 45.39 1ija s LEU 121 CO 0.04 0.03 0.64 0.42 -1.32 0.00 0.00 176.35 176.17 1ija s THR 122 N 1.10 5.36 0.44 3.68 -4.23 -0.06 -1.51 115.64 120.42 1ija s THR 122 Ca 0.00 -2.10 -0.22 0.00 -1.18 0.00 0.00 61.69 58.18 1ija s THR 122 Cb -0.14 -4.36 -0.08 0.00 1.34 0.00 0.00 72.50 69.25 1ija s THR 122 CO -0.07 -0.96 1.07 -0.76 -0.54 0.00 0.00 174.62 173.37 1ija s LEU 123 N 0.73 4.01 0.03 4.79 1.02 -0.89 -2.65 118.68 125.72 1ija s LEU 123 Ca 0.12 2.07 0.01 0.00 0.02 0.00 0.00 54.13 56.35 1ija s LEU 123 Cb -0.18 -4.32 -0.02 0.00 0.02 0.00 0.00 46.19 41.69 1ija s LEU 123 CO -0.04 -0.69 -0.05 -0.63 0.02 0.00 0.00 176.35 174.96 1ija s ILE 124 N -1.73 0.30 0.34 -0.59 1.01 0.10 -2.90 121.20 117.72 1ija s ILE 124 Ca 0.62 -0.88 0.07 0.00 0.00 0.00 0.00 60.65 60.46 1ija s ILE 124 Cb -0.22 -0.39 -0.02 0.00 0.01 0.00 0.00 42.46 41.85 1ija s ILE 124 CO 0.27 -0.38 0.41 0.42 0.00 0.00 0.00 174.94 175.65 1ija s THR 125 N -1.25 3.88 -0.39 2.92 -4.23 -1.14 -2.50 115.64 112.93 1ija s THR 125 Ca -0.11 -1.13 0.04 0.00 -1.18 0.00 0.00 61.69 59.31 1ija s THR 125 Cb -0.09 -3.33 0.16 0.00 1.34 0.00 0.00 72.50 70.58 1ija s THR 125 CO -0.00 -0.16 0.40 0.00 -0.54 0.00 0.00 174.62 174.31 1ija s ASP 127 N 1.11 1.66 -0.67 0.00 1.47 -1.26 -3.69 116.67 115.29 1ija s ASP 127 Ca 0.21 -0.48 -0.06 0.00 1.18 0.00 0.00 52.55 53.40 1ija s ASP 127 Cb -0.11 -0.10 0.01 0.00 -0.34 0.00 0.00 42.92 42.38 1ija s ASP 127 CO -0.05 0.02 0.66 0.47 0.68 0.00 0.00 175.17 176.94 1ija n ASP 128 N 1.81 -7.10 -4.66 2.11 8.00 -1.26 -4.03 116.55 111.42 1ija n ASP 128 Ca -0.18 -0.12 -0.42 0.00 0.71 0.00 0.00 54.79 54.77 1ija n ASP 128 Cb 0.55 -4.37 -0.03 0.00 -0.02 0.00 0.00 41.12 37.25 1ija n ASP 128 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1ija s TYR 129 N -2.80 2.04 -0.20 1.24 6.14 -1.26 -1.97 117.35 120.53 1ija s TYR 129 Ca 0.08 0.25 -0.21 0.00 0.64 0.00 0.00 57.07 57.83 1ija s TYR 129 Cb -0.02 -3.89 -0.02 0.00 0.42 0.00 0.00 41.96 38.45 1ija s TYR 129 CO 0.79 -3.69 0.64 1.21 0.64 0.00 0.00 175.55 175.14 1ija s ASN 130 N 3.25 6.69 0.04 4.32 2.47 -0.37 -4.76 114.94 126.58 1ija s ASN 130 Ca 0.72 0.84 0.23 0.00 0.42 0.00 0.00 52.86 55.08 1ija s ASN 130 Cb -0.32 -2.35 0.16 0.00 -1.45 0.00 0.00 41.25 37.28 1ija s ASN 130 CO 0.28 -0.29 1.14 -1.84 -3.72 0.00 0.00 177.10 172.67 1ija n GLU 131 N 5.13 0.19 0.01 0.43 0.00 -1.26 -1.50 120.64 123.64 1ija n GLU 131 Ca -0.01 0.01 -0.12 0.00 0.00 0.00 0.00 57.16 57.04 1ija n GLU 131 Cb 0.50 -1.57 -0.07 0.00 0.00 0.00 0.00 31.44 30.29 1ija n GLU 131 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1ija h LYS 132 N 0.00 0.03 0.00 3.44 1.57 -1.92 -3.10 116.57 116.59 1ija h LYS 132 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1ija h LYS 132 Cb 0.65 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1ija h LYS 132 CO 0.00 0.17 -1.16 0.25 -0.57 0.00 0.00 179.45 178.14 1ija n THR 133 N -5.00 0.06 -2.50 -0.16 -2.24 -1.26 -4.97 114.28 98.20 1ija n THR 133 Ca -0.07 -0.17 -0.02 0.00 -2.27 0.00 0.00 64.05 61.52 1ija n THR 133 Cb 0.10 0.50 0.01 0.00 -2.10 0.00 0.00 70.33 68.84 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 1.41 0.72 3.25 3.38 0.00 -0.99 -5.05 105.19 107.91 1ija n GLY 134 Ca 0.02 -0.63 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.86 0.11 -0.20 1.61 1.01 -0.57 -5.00 120.40 114.51 1ija s VAL 135 Ca 0.05 -1.26 -0.29 0.00 0.00 0.00 0.00 61.98 60.48 1ija s VAL 135 Cb -0.02 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1ija s VAL 135 CO 0.06 -0.51 1.90 0.26 0.00 0.00 0.00 175.10 176.81 1ija s TRP 136 N -3.90 1.61 0.00 5.22 0.52 -1.26 -1.24 118.94 119.88 1ija s TRP 136 Ca 0.10 0.39 0.00 0.00 0.02 0.00 0.00 56.10 56.61 1ija s TRP 136 Cb 0.04 -4.04 0.00 0.00 -1.15 0.00 0.00 33.47 28.32 1ija s TRP 136 CO -0.07 -3.75 0.38 -1.91 0.02 0.00 0.00 176.95 171.63 1ija n GLU 137 N 8.15 0.00 -4.65 4.98 4.07 -0.83 -4.45 120.64 127.90 1ija n GLU 137 Ca 0.23 0.38 -0.34 0.00 -0.06 0.00 0.00 57.16 57.38 1ija n GLU 137 Cb 0.45 -0.81 -0.12 0.00 -0.06 0.00 0.00 31.44 30.90 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 -0.90 2.90 -0.20 5.31 -0.14 -1.26 -4.98 119.74 120.47 1ija s LYS 138 Ca 0.00 -0.58 -0.04 0.00 -1.36 0.00 0.00 55.97 53.99 1ija s LYS 138 Cb 0.00 -2.61 0.10 0.00 -1.68 0.00 0.00 37.83 33.64 1ija s LYS 138 CO 0.00 0.56 0.31 -0.98 -0.76 0.00 0.00 175.35 174.48 1ija s ARG 139 N -0.53 0.25 0.83 1.68 1.70 -1.26 -4.04 118.95 117.57 1ija s ARG 139 Ca 0.08 0.56 -0.12 0.00 -0.47 0.00 0.00 55.73 55.78 1ija s ARG 139 Cb -0.12 -0.47 0.09 0.00 -0.57 0.00 0.00 34.95 33.88 1ija s ARG 139 CO 0.02 -0.50 1.11 0.15 -1.08 0.00 0.00 175.30 175.00 1ija s LYS 140 N 2.46 1.78 -0.14 3.89 1.02 -1.26 -4.80 119.74 122.69 1ija s LYS 140 Ca 0.06 0.48 -0.10 0.00 0.02 0.00 0.00 55.97 56.44 1ija s LYS 140 Cb -0.14 -1.90 0.04 0.00 -0.52 0.00 0.00 37.83 35.32 1ija s LYS 140 CO -0.12 -1.79 0.35 0.96 -0.92 0.00 0.00 175.35 173.82 1ija s ILE 141 N -3.23 -0.02 0.30 2.17 -4.36 -1.26 -2.87 121.20 111.94 1ija s ILE 141 Ca 0.62 0.06 0.03 0.00 -0.26 0.00 0.00 60.65 61.10 1ija s ILE 141 Cb -0.14 -0.50 -0.06 0.00 1.25 0.00 0.00 42.46 43.00 1ija s ILE 141 CO 0.54 0.03 0.07 -0.36 0.24 0.00 0.00 174.94 175.45 1ija s PHE 142 N 0.82 1.83 -0.06 1.37 0.40 -1.14 0.22 117.98 121.43 1ija s PHE 142 Ca -0.05 -1.02 -0.08 0.00 -0.60 0.00 0.00 56.93 55.18 1ija s PHE 142 Cb -0.06 -1.16 0.02 0.00 0.51 0.00 0.00 43.02 42.33 1ija s PHE 142 CO -0.06 -0.09 0.20 0.08 0.70 0.00 0.00 175.22 176.05 1ija s VAL 143 N -3.44 0.02 -0.06 -0.44 1.01 -0.49 -2.09 120.40 114.91 1ija s VAL 143 Ca 0.37 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.16 1ija s VAL 143 Cb 0.08 -0.35 0.02 0.00 0.00 0.00 0.00 36.38 36.13 1ija s VAL 143 CO 0.15 -0.11 -0.05 0.00 0.00 0.00 0.00 175.10 175.09 1ija s ALA 144 N -0.34 0.89 0.08 5.51 0.00 -0.57 -2.11 121.76 125.22 1ija s ALA 144 Ca -0.04 -0.21 -0.09 0.00 0.00 0.00 0.00 51.96 51.61 1ija s ALA 144 Cb -0.03 -0.59 -0.06 0.00 0.00 0.00 0.00 23.12 22.44 1ija s ALA 144 CO 0.01 -0.14 0.39 -0.08 0.00 0.00 0.00 175.76 175.94 1ija s THR 145 N 1.20 5.11 0.56 0.00 -1.32 -1.08 0.28 115.64 120.41 1ija s THR 145 Ca -0.06 0.39 -0.21 0.00 -1.21 0.00 0.00 61.69 60.60 1ija s THR 145 Cb -0.14 -3.64 -0.05 0.00 -1.51 0.00 0.00 72.50 67.17 1ija s THR 145 CO -0.02 0.26 1.25 1.21 -2.21 0.00 0.00 174.62 175.12 1ija n GLU 146 N 0.82 1.45 -3.36 7.08 2.13 0.83 -2.62 120.64 126.98 1ija n GLU 146 Ca -0.08 0.54 -0.34 0.00 0.66 0.00 0.00 57.16 57.95 1ija n GLU 146 Cb 0.52 -2.46 -0.06 0.00 0.27 0.00 0.00 31.44 29.72 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 -1.34 4.86 -0.93 6.31 -7.23 -1.25 -4.90 120.40 115.92 1ija s VAL 147 Ca 0.73 0.71 0.00 0.00 -1.81 0.00 0.00 61.98 61.61 1ija s VAL 147 Cb -0.42 -3.68 0.00 0.00 0.56 0.00 0.00 36.38 32.83 1ija s VAL 147 CO 0.48 0.09 0.23 0.29 -0.31 0.00 0.00 175.10 175.88