#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ija n GLN 2 N 0.00 2.00 -2.84 0.03 3.00 -1.26 -4.92 117.38 113.38 1ija n GLN 2 Ca 0.00 0.64 -0.40 0.00 -0.01 0.00 0.00 57.00 57.23 1ija n GLN 2 Cb 0.00 -2.91 -0.05 0.00 0.00 0.00 0.00 30.24 27.27 1ija n GLN 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ija s ALA 3 N 6.50 3.34 -0.38 -1.58 0.00 -1.26 -4.97 121.76 123.41 1ija s ALA 3 Ca 0.99 0.48 0.11 0.00 0.00 0.00 0.00 51.96 53.54 1ija s ALA 3 Cb -0.54 -3.13 0.39 0.00 0.00 0.00 0.00 23.12 19.85 1ija s ALA 3 CO 0.43 0.14 1.13 1.63 0.00 0.00 0.00 175.76 179.09 1ija n LYS 4 N 2.13 1.12 0.00 0.00 5.02 -1.26 -5.02 118.16 120.16 1ija n LYS 4 Ca -0.02 -2.42 0.00 0.00 -2.02 0.00 0.00 58.31 53.85 1ija n LYS 4 Cb 0.49 -0.74 0.00 0.00 -0.02 0.00 0.00 35.03 34.75 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 -0.18 1.65 -2.32 1.97 -0.04 -1.26 -4.84 135.00 129.98 1ija n PRO 5 Ca 0.05 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.13 1ija n PRO 5 Cb 0.79 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.22 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 2.99 -0.34 0.54 0.74 -1.26 -4.87 119.66 117.46 1ija s GLN 6 Ca 0.00 -0.12 0.03 0.00 0.05 0.00 0.00 55.36 55.31 1ija s GLN 6 Cb 0.00 -4.56 0.15 0.00 1.10 0.00 0.00 33.01 29.70 1ija s GLN 6 CO 0.00 -2.51 0.38 0.42 -0.55 0.00 0.00 175.29 173.03 1ija s ILE 7 N 7.27 -0.45 1.00 -2.34 1.01 -1.26 -5.01 121.20 121.42 1ija s ILE 7 Ca 0.52 -0.68 -0.17 0.00 0.00 0.00 0.00 60.65 60.31 1ija s ILE 7 Cb -0.08 -0.75 -0.05 0.00 0.01 0.00 0.00 42.46 41.59 1ija s ILE 7 CO 0.11 -0.46 -0.34 -2.65 0.00 0.00 0.00 174.94 171.59 1ija n PRO 8 N 4.69 -0.35 -0.00 2.79 -0.02 -1.26 -4.93 135.00 135.91 1ija n PRO 8 Ca 0.06 -0.09 0.09 0.00 -2.02 0.00 0.00 63.50 61.54 1ija n PRO 8 Cb 0.47 -1.42 -0.11 0.00 -0.02 0.00 0.00 33.50 32.42 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 0.27 1.02 -2.47 -0.52 5.02 -1.26 -4.73 118.16 115.48 1ija n LYS 9 Ca 0.02 -0.04 -0.43 0.00 -2.02 0.00 0.00 58.31 55.84 1ija n LYS 9 Cb 0.59 -1.36 -0.02 0.00 -0.02 0.00 0.00 35.03 34.22 1ija n LYS 9 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ija s ASP 10 N -3.01 6.43 0.00 4.39 1.11 -1.26 -4.83 116.67 119.50 1ija s ASP 10 Ca 0.03 0.55 0.00 0.00 0.18 0.00 0.00 52.55 53.32 1ija s ASP 10 Cb 0.13 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.57 1ija s ASP 10 CO 0.73 -1.41 0.51 0.29 1.18 0.00 0.00 175.17 176.47 1ija n LYS 11 N 8.10 0.00 -1.49 8.23 4.01 -1.26 -1.74 118.16 134.01 1ija n LYS 11 Ca 0.14 0.02 -0.19 0.00 -0.51 0.00 0.00 58.31 57.76 1ija n LYS 11 Cb 0.49 -1.50 0.09 0.00 -0.51 0.00 0.00 35.03 33.60 1ija n LYS 11 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1ija n SER 12 N -1.01 4.63 -3.84 4.39 7.64 -1.26 -4.77 113.62 119.40 1ija n SER 12 Ca 0.00 -3.78 -0.12 0.00 1.01 0.00 0.00 58.87 55.98 1ija n SER 12 Cb 0.00 -0.55 -0.12 0.00 -1.01 0.00 0.00 64.21 62.53 1ija n SER 12 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1ija s LYS 13 N -3.54 0.29 0.52 1.43 2.20 -0.71 -5.13 119.74 114.79 1ija s LYS 13 Ca 0.51 -0.04 -0.23 0.00 -0.36 0.00 0.00 55.97 55.86 1ija s LYS 13 Cb 0.43 0.13 -0.06 0.00 -1.51 0.00 0.00 37.83 36.81 1ija s LYS 13 CO 0.01 -0.05 1.39 0.08 -0.36 0.00 0.00 175.35 176.42 1ija s VAL 14 N -0.49 2.02 0.00 4.02 1.01 -1.26 -4.57 120.40 121.14 1ija s VAL 14 Ca -0.06 0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1ija s VAL 14 Cb -0.04 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.33 1ija s VAL 14 CO 0.01 0.00 0.48 0.00 0.00 0.00 0.00 175.10 175.59 1ija n ALA 15 N -0.76 1.18 0.00 5.51 0.00 -1.24 -4.81 120.51 120.39 1ija n ALA 15 Ca 0.09 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1ija n ALA 15 Cb 0.44 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.82 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 0.65 3.10 0.00 0.00 -1.26 -4.85 105.19 102.83 1ija n GLY 16 Ca 0.00 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.56 -0.04 1.61 2.02 -0.57 -2.92 117.35 114.90 1ija s TYR 17 Ca 0.00 1.17 -0.09 0.00 -0.37 0.00 0.00 57.07 57.78 1ija s TYR 17 Cb 0.00 0.08 -0.05 0.00 -0.40 0.00 0.00 41.96 41.60 1ija s TYR 17 CO 0.00 -0.40 0.27 -1.50 -1.57 0.00 0.00 175.55 172.35 1ija s ILE 18 N 2.49 5.29 -0.07 2.71 1.10 -0.66 -1.03 121.20 131.03 1ija s ILE 18 Ca 0.00 0.40 -0.06 0.00 -0.51 0.00 0.00 60.65 60.48 1ija s ILE 18 Cb -0.12 -3.55 0.03 0.00 0.15 0.00 0.00 42.46 38.96 1ija s ILE 18 CO -0.10 0.52 0.19 -1.61 -2.11 0.00 0.00 174.94 171.83 1ija s GLU 19 N -1.29 0.19 -0.08 3.50 2.02 -1.09 -2.49 118.70 119.46 1ija s GLU 19 Ca 0.22 0.32 -0.04 0.00 0.02 0.00 0.00 54.97 55.49 1ija s GLU 19 Cb -0.14 0.02 0.04 0.00 0.10 0.00 0.00 34.13 34.16 1ija s GLU 19 CO 0.11 -0.07 0.18 0.42 0.02 0.00 0.00 175.26 175.92 1ija s ILE 20 N 0.47 -0.12 0.02 -1.63 1.01 -1.04 -2.25 121.20 117.66 1ija s ILE 20 Ca -0.03 0.22 -0.18 0.00 0.00 0.00 0.00 60.65 60.66 1ija s ILE 20 Cb -0.04 -0.30 -0.23 0.00 0.01 0.00 0.00 42.46 41.90 1ija s ILE 20 CO -0.02 0.09 1.13 1.55 0.00 0.00 0.00 174.94 177.69 1ija h PRO 21 N 7.56 0.49 0.00 2.79 0.13 -1.86 0.78 132.00 141.89 1ija h PRO 21 Ca -0.34 -0.51 0.00 0.00 -0.87 0.00 0.00 66.00 64.28 1ija h PRO 21 Cb 1.14 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1ija h PRO 21 CO 0.33 1.15 0.33 -0.44 -0.23 0.00 0.00 178.00 179.14 1ija h ASP 22 N 0.02 0.00 0.00 1.44 5.19 -1.97 0.14 116.42 121.25 1ija h ASP 22 Ca -0.08 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1ija h ASP 22 Cb 1.39 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.90 1ija h ASP 22 CO 0.14 0.00 -0.15 0.00 -3.12 0.00 0.00 179.24 176.10 1ija n ALA 23 N -1.57 1.47 -4.16 3.45 0.00 -1.16 -4.35 120.51 114.19 1ija n ALA 23 Ca -0.01 -0.81 -0.33 0.00 0.00 0.00 0.00 53.44 52.29 1ija n ALA 23 Cb 0.35 -0.17 -0.05 0.00 0.00 0.00 0.00 19.45 19.57 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 -0.12 -0.61 -4.86 0.00 5.68 0.10 -4.46 116.55 112.28 1ija n ASP 24 Ca 0.01 -1.21 -0.34 0.00 -0.50 0.00 0.00 54.79 52.75 1ija n ASP 24 Cb 0.55 -2.03 -0.05 0.00 -1.14 0.00 0.00 41.12 38.44 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 -4.08 5.00 -0.41 2.12 -1.09 0.23 -4.89 121.20 118.07 1ija s ILE 25 Ca 0.12 0.53 -0.01 0.00 -2.23 0.00 0.00 60.65 59.06 1ija s ILE 25 Cb -0.06 -3.67 0.20 0.00 -1.58 0.00 0.00 42.46 37.36 1ija s ILE 25 CO 0.96 0.18 0.95 -0.75 -1.23 0.00 0.00 174.94 175.06 1ija s LYS 26 N -2.16 0.55 0.06 2.79 2.20 -1.24 -2.50 119.74 119.44 1ija s LYS 26 Ca 0.38 -0.53 -0.04 0.00 -0.36 0.00 0.00 55.97 55.41 1ija s LYS 26 Cb -0.14 -0.02 -0.02 0.00 -1.51 0.00 0.00 37.83 36.14 1ija s LYS 26 CO 0.20 -0.67 0.06 -1.21 -0.36 0.00 0.00 175.35 173.36 1ija s GLU 27 N 0.96 0.67 0.60 4.03 0.41 -1.04 -5.00 118.70 119.33 1ija s GLU 27 Ca 0.26 -1.04 -0.08 0.00 -0.41 0.00 0.00 54.97 53.70 1ija s GLU 27 Cb 0.08 0.25 -0.01 0.00 -1.78 0.00 0.00 34.13 32.67 1ija s GLU 27 CO -0.09 -0.17 0.95 -1.25 -0.49 0.00 0.00 175.26 174.22 1ija s PRO 28 N -3.60 3.24 -0.21 0.39 0.04 -1.26 -1.65 135.00 131.96 1ija s PRO 28 Ca 0.04 0.34 0.01 0.00 0.04 0.00 0.00 61.00 61.42 1ija s PRO 28 Cb 0.05 -2.19 0.05 0.00 0.04 0.00 0.00 34.50 32.44 1ija s PRO 28 CO -0.09 -0.61 -0.08 0.08 0.04 0.00 0.00 177.00 176.34 1ija s VAL 29 N -3.06 1.52 0.43 -0.36 1.01 -1.15 -3.30 120.40 115.50 1ija s VAL 29 Ca 0.53 -1.05 -0.23 0.00 0.00 0.00 0.00 61.98 61.24 1ija s VAL 29 Cb -0.11 -1.69 -0.08 0.00 0.00 0.00 0.00 36.38 34.50 1ija s VAL 29 CO 0.49 0.05 1.09 -0.31 0.00 0.00 0.00 175.10 176.42 1ija s TYR 30 N 1.43 3.10 -0.81 5.22 2.02 -0.13 -3.61 117.35 124.56 1ija s TYR 30 Ca -0.03 1.60 -0.26 0.00 -0.37 0.00 0.00 57.07 58.01 1ija s TYR 30 Cb -0.17 -3.22 0.03 0.00 -0.40 0.00 0.00 41.96 38.21 1ija s TYR 30 CO -0.07 -0.98 1.33 -1.25 -1.57 0.00 0.00 175.55 173.01 1ija s PRO 31 N -2.64 3.29 0.00 -1.71 0.04 -1.26 -2.17 135.00 130.55 1ija s PRO 31 Ca 0.61 -0.47 0.00 0.00 0.04 0.00 0.00 61.00 61.18 1ija s PRO 31 Cb -0.24 -4.49 0.00 0.00 0.04 0.00 0.00 34.50 29.81 1ija s PRO 31 CO 0.30 -2.17 0.00 0.41 0.04 0.00 0.00 177.00 175.58 1ija n GLY 32 N 5.78 -1.25 3.66 0.56 0.00 -1.26 -4.57 105.19 108.11 1ija n GLY 32 Ca 0.11 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.93 4.28 -0.74 1.61 0.04 -1.26 -3.65 135.00 134.35 1ija s PRO 33 Ca 0.00 1.32 -0.12 0.00 0.04 0.00 0.00 61.00 62.24 1ija s PRO 33 Cb 0.00 -3.62 -0.22 0.00 0.04 0.00 0.00 34.50 30.70 1ija s PRO 33 CO 0.00 -0.56 1.93 0.00 0.04 0.00 0.00 177.00 178.41 1ija n ALA 34 N 6.05 0.76 -2.83 8.56 0.00 -0.89 -4.86 120.51 127.29 1ija n ALA 34 Ca 0.11 -1.09 -0.29 0.00 0.00 0.00 0.00 53.44 52.17 1ija n ALA 34 Cb 0.47 -2.21 -0.05 0.00 0.00 0.00 0.00 19.45 17.65 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 4.34 4.80 0.08 0.00 -4.23 -1.26 -4.99 115.64 114.38 1ija s THR 35 Ca 0.90 -0.77 -0.17 0.00 -1.18 0.00 0.00 61.69 60.47 1ija s THR 35 Cb -0.45 -3.38 -0.10 0.00 1.34 0.00 0.00 72.50 69.91 1ija s THR 35 CO 0.31 0.03 1.42 1.55 -0.54 0.00 0.00 174.62 177.40 1ija h PRO 36 N 2.83 0.56 0.00 3.99 0.13 -1.98 -0.01 132.00 137.53 1ija h PRO 36 Ca -0.47 -0.26 -0.02 0.00 -0.87 0.00 0.00 66.00 64.37 1ija h PRO 36 Cb 1.18 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1ija h PRO 36 CO 0.67 0.84 -0.10 1.05 -0.23 0.00 0.00 178.00 180.23 1ija h GLU 37 N 0.28 0.00 0.00 0.86 4.11 -1.98 -2.67 114.58 115.17 1ija h GLU 37 Ca 0.05 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.48 1ija h GLU 37 Cb 0.70 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 1ija h GLU 37 CO 0.05 0.10 -0.44 0.37 0.07 0.00 0.00 179.01 179.16 1ija h GLN 38 N 0.00 0.00 0.00 1.06 4.15 -1.90 -3.33 115.11 115.09 1ija h GLN 38 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1ija h GLN 38 Cb 0.30 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.99 1ija h GLN 38 CO 0.01 0.02 0.49 -0.07 -1.93 0.00 0.00 178.83 177.36 1ija h LEU 39 N -1.00 0.00 -2.01 -2.39 3.38 -1.02 0.92 115.31 113.18 1ija h LEU 39 Ca -0.01 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1ija h LEU 39 Cb 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1ija h LEU 39 CO -0.00 0.00 0.10 0.78 0.09 0.00 0.00 178.44 179.41 1ija h ASN 40 N 0.00 0.00 1.93 -0.43 -0.26 -1.58 0.53 115.58 115.77 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 0.99 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.25 1ija h ASN 40 CO 0.00 0.00 -0.04 0.03 -1.06 0.00 0.00 177.43 176.36 1ija h ARG 41 N 0.00 0.00 0.00 0.81 3.08 0.66 -3.49 114.38 115.43 1ija h ARG 41 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1ija h ARG 41 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 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 1.11 -0.52 3.97 0.04 0.00 0.18 -5.08 105.19 104.90 1ija n GLY 42 Ca 0.04 -0.47 -0.21 0.00 0.00 0.00 0.00 46.02 45.38 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 -4.00 4.88 0.09 1.61 1.01 -1.21 -4.28 120.40 118.50 1ija s VAL 43 Ca 0.00 -0.85 -0.24 0.00 0.00 0.00 0.00 61.98 60.89 1ija s VAL 43 Cb 0.00 -3.73 0.06 0.00 0.00 0.00 0.00 36.38 32.71 1ija s VAL 43 CO 0.00 -0.34 0.59 -0.94 0.00 0.00 0.00 175.10 174.41 1ija s SER 44 N -4.05 -0.54 1.19 3.32 1.04 -1.08 -0.95 113.70 112.63 1ija s SER 44 Ca 0.39 0.16 -0.17 0.00 0.48 0.00 0.00 55.95 56.81 1ija s SER 44 Cb -0.09 0.56 0.23 0.00 0.10 0.00 0.00 66.02 66.81 1ija s SER 44 CO 0.32 -0.84 0.54 0.49 0.98 0.00 0.00 173.24 174.72 1ija n PHE 45 N 0.04 -1.80 1.17 5.02 3.01 -0.92 -1.77 117.46 122.22 1ija n PHE 45 Ca -0.18 -0.13 0.12 0.00 1.01 0.00 0.00 57.45 58.28 1ija n PHE 45 Cb 0.62 -1.56 0.23 0.00 -0.01 0.00 0.00 39.48 38.76 1ija n PHE 45 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ija n ALA 46 N -4.88 2.93 -3.40 4.37 0.00 0.54 -2.10 120.51 117.97 1ija n ALA 46 Ca 0.03 -0.56 -0.13 0.00 0.00 0.00 0.00 53.44 52.78 1ija n ALA 46 Cb 0.57 -0.96 -0.09 0.00 0.00 0.00 0.00 19.45 18.96 1ija n ALA 46 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1ija s GLU 47 N -2.24 0.60 0.59 0.00 -1.05 -1.24 -3.98 118.70 111.37 1ija s GLU 47 Ca 0.27 0.67 0.34 0.00 -0.15 0.00 0.00 54.97 56.10 1ija s GLU 47 Cb 0.20 0.29 1.87 0.00 -0.44 0.00 0.00 34.13 36.04 1ija s GLU 47 CO 0.43 -0.08 2.21 1.05 0.95 0.00 0.00 175.26 179.83 1ija h GLU 48 N 5.27 0.00 -0.87 -4.83 -0.00 -1.91 -1.58 114.58 110.66 1ija h GLU 48 Ca -0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.07 1ija h GLU 48 Cb 1.17 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.92 1ija h GLU 48 CO 0.20 0.04 0.02 -1.71 -0.00 0.00 0.00 179.01 177.55 1ija n ASN 49 N -3.45 2.66 -4.76 3.06 5.15 -1.26 -4.75 115.26 111.91 1ija n ASN 49 Ca -0.02 -2.33 -0.38 0.00 -0.60 0.00 0.00 54.58 51.24 1ija n ASN 49 Cb 0.15 -0.57 0.03 0.00 -0.53 0.00 0.00 39.78 38.86 1ija n ASN 49 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 1ija s GLU 50 N -1.55 3.35 -0.21 1.20 1.03 -0.59 -4.98 118.70 116.95 1ija s GLU 50 Ca 0.18 2.19 -0.17 0.00 0.03 0.00 0.00 54.97 57.21 1ija s GLU 50 Cb 0.14 -2.37 0.06 0.00 -0.80 0.00 0.00 34.13 31.17 1ija s GLU 50 CO 0.05 -1.01 0.55 -1.12 -1.33 0.00 0.00 175.26 172.40 1ija s SER 51 N -0.93 -0.63 0.00 0.83 0.01 -1.26 -4.98 113.70 106.75 1ija s SER 51 Ca 0.68 1.13 0.01 0.00 1.31 0.00 0.00 55.95 59.09 1ija s SER 51 Cb -0.39 1.10 0.07 0.00 0.21 0.00 0.00 66.02 67.01 1ija s SER 51 CO 0.47 -0.20 0.80 0.00 0.41 0.00 0.00 173.24 174.73 1ija n LEU 52 N 3.34 0.00 0.05 2.44 -0.00 -1.26 0.31 117.00 121.88 1ija n LEU 52 Ca -0.17 0.25 0.11 0.00 -0.00 0.00 0.00 56.01 56.20 1ija n LEU 52 Cb 0.56 -0.25 -0.02 0.00 -0.00 0.00 0.00 43.42 43.71 1ija n LEU 52 CO 0.07 -0.24 -0.15 0.47 -0.00 0.00 0.00 177.39 177.54 1ija n ASP 53 N -1.25 0.57 -4.58 1.45 8.00 -1.26 -4.86 116.55 114.62 1ija n ASP 53 Ca 0.01 0.05 -0.44 0.00 0.71 0.00 0.00 54.79 55.11 1ija n ASP 53 Cb 0.01 0.91 -0.03 0.00 -0.02 0.00 0.00 41.12 41.99 1ija n ASP 53 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1ija n ASP 54 N -2.30 3.11 0.10 -2.24 -0.08 0.15 -4.73 116.55 110.56 1ija n ASP 54 Ca -0.00 0.20 0.03 0.00 -1.51 0.00 0.00 54.79 53.51 1ija n ASP 54 Cb 0.51 -1.53 0.14 0.00 2.34 0.00 0.00 41.12 42.58 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 8.72 0.04 -3.57 -0.67 7.27 -1.26 -3.54 117.38 124.36 1ija n GLN 55 Ca 0.31 0.40 -0.27 0.00 0.07 0.00 0.00 57.00 57.51 1ija n GLN 55 Cb 0.43 -2.02 -0.16 0.00 2.41 0.00 0.00 30.24 30.89 1ija n GLN 55 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 1ija s ASN 56 N -2.80 2.88 0.32 1.69 3.84 -1.26 -2.75 114.94 116.85 1ija s ASN 56 Ca -0.01 -0.93 0.01 0.00 0.21 0.00 0.00 52.86 52.14 1ija s ASN 56 Cb 0.01 -0.26 -0.03 0.00 -0.55 0.00 0.00 41.25 40.42 1ija s ASN 56 CO 0.05 -0.39 0.51 -0.63 -2.79 0.00 0.00 177.10 173.85 1ija s ILE 57 N 2.13 5.13 -0.10 -5.21 1.09 -1.18 -4.96 121.20 118.09 1ija s ILE 57 Ca 0.06 -0.48 -0.04 0.00 -1.10 0.00 0.00 60.65 59.09 1ija s ILE 57 Cb -0.16 -3.84 0.05 0.00 -1.06 0.00 0.00 42.46 37.45 1ija s ILE 57 CO -0.23 -0.48 0.22 -0.94 -0.10 0.00 0.00 174.94 173.40 1ija s SER 58 N -3.89 0.29 0.28 3.58 1.04 -1.26 -0.58 113.70 113.16 1ija s SER 58 Ca 0.39 0.47 0.12 0.00 0.48 0.00 0.00 55.95 57.41 1ija s SER 58 Cb -0.10 0.46 -0.05 0.00 0.10 0.00 0.00 66.02 66.44 1ija s SER 58 CO 0.34 -0.22 -0.19 -0.63 0.98 0.00 0.00 173.24 173.52 1ija s ILE 59 N 2.01 2.45 -0.03 -1.02 1.01 -0.93 0.20 121.20 124.90 1ija s ILE 59 Ca -0.02 -2.40 0.02 0.00 0.00 0.00 0.00 60.65 58.25 1ija s ILE 59 Cb -0.12 -2.30 0.01 0.00 0.01 0.00 0.00 42.46 40.06 1ija s ILE 59 CO -0.07 -0.40 -0.06 0.00 0.00 0.00 0.00 174.94 174.41 1ija s ALA 60 N -2.53 0.65 0.04 9.38 0.00 -0.73 -1.20 121.76 127.37 1ija s ALA 60 Ca 0.30 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.09 1ija s ALA 60 Cb -0.05 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 1ija s ALA 60 CO 0.15 0.07 -0.04 0.20 0.00 0.00 0.00 175.76 176.13 1ija s GLY 61 N 0.42 0.38 1.13 0.00 0.00 -0.78 -2.64 107.32 105.82 1ija s GLY 61 Ca -0.06 -0.80 -0.18 0.00 0.00 0.00 0.00 44.72 43.68 1ija s GLY 61 CO 0.00 -0.88 1.14 0.30 0.00 0.00 0.00 173.10 173.66 1ija s HIS 62 N -2.10 0.95 -0.38 1.90 3.76 -1.26 -0.16 115.29 118.00 1ija s HIS 62 Ca -0.08 0.54 0.03 0.00 -0.15 0.00 0.00 55.06 55.40 1ija s HIS 62 Cb -0.05 -3.53 0.18 0.00 1.11 0.00 0.00 32.58 30.29 1ija s HIS 62 CO -0.03 -3.50 0.74 -0.08 -0.85 0.00 0.00 174.74 171.02 1ija s THR 63 N -3.15 -0.79 -0.42 1.30 -1.32 -1.10 0.17 115.64 110.32 1ija s THR 63 Ca 0.70 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.96 1ija s THR 63 Cb -0.10 -0.04 0.02 0.00 -1.51 0.00 0.00 72.50 70.87 1ija s THR 63 CO 0.56 0.00 0.73 -0.36 -2.21 0.00 0.00 174.62 173.34 1ija s PHE 64 N 1.93 3.05 0.52 9.09 0.40 -1.26 -4.78 117.98 126.93 1ija s PHE 64 Ca 0.16 0.20 0.18 0.00 -0.60 0.00 0.00 56.93 56.87 1ija s PHE 64 Cb -0.02 -3.47 1.33 0.00 0.51 0.00 0.00 43.02 41.36 1ija s PHE 64 CO -0.10 -0.87 2.15 0.82 0.70 0.00 0.00 175.22 177.92 1ija h ILE 65 N 5.88 0.94 -0.21 0.64 1.08 -2.00 -0.50 117.51 123.33 1ija h ILE 65 Ca -0.25 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 1ija h ILE 65 Cb 1.09 1.04 0.00 0.00 -3.07 0.00 0.00 36.82 35.89 1ija h ILE 65 CO 0.92 0.02 0.00 -0.90 -0.69 0.00 0.00 178.15 177.50 1ija n ASP 66 N -4.40 2.04 -2.99 1.72 5.75 -1.26 -4.34 116.55 113.08 1ija n ASP 66 Ca -0.03 -2.18 -0.13 0.00 -0.01 0.00 0.00 54.79 52.44 1ija n ASP 66 Cb 0.11 -0.40 -0.02 0.00 -1.03 0.00 0.00 41.12 39.77 1ija n ASP 66 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1ija n ARG 67 N 0.20 0.49 0.00 0.11 0.63 -0.20 -5.00 116.66 112.89 1ija n ARG 67 Ca 0.09 -2.44 0.00 0.00 -0.92 0.00 0.00 57.85 54.58 1ija n ARG 67 Cb 0.42 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.82 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 2.57 0.00 -2.94 -0.14 -0.02 -1.26 -3.38 135.00 129.84 1ija n PRO 68 Ca 0.20 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.55 1ija n PRO 68 Cb 0.54 -1.40 0.02 0.00 -0.02 0.00 0.00 33.50 32.65 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 1.04 -1.12 0.00 2.55 3.02 -1.26 -4.91 115.26 114.59 1ija n ASN 69 Ca 0.00 -3.27 0.00 0.00 -0.03 0.00 0.00 54.58 51.28 1ija n ASN 69 Cb 0.00 0.76 0.00 0.00 -0.61 0.00 0.00 39.78 39.93 1ija n ASN 69 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ija n TYR 70 N 0.75 0.00 0.00 3.10 9.36 -1.22 -5.07 117.16 124.08 1ija n TYR 70 Ca 0.15 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.37 1ija n TYR 70 Cb 0.65 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.36 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 -0.53 2.98 3.00 -1.26 -4.33 117.38 117.24 1ija n GLN 71 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.05 1ija n GLN 71 Cb 0.00 -0.01 0.28 0.00 0.00 0.00 0.00 30.24 30.51 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 0.00 1.27 0.04 1.08 3.01 0.45 -4.45 117.46 118.86 1ija n PHE 72 Ca 0.00 -0.48 0.21 0.00 1.01 0.00 0.00 57.45 58.20 1ija n PHE 72 Cb 0.00 -0.27 0.65 0.00 -0.01 0.00 0.00 39.48 39.85 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 3.03 0.22 0.00 4.37 2.02 -1.72 -1.92 112.91 118.91 1ija h THR 73 Ca 0.00 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.10 1ija h THR 73 Cb 1.30 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1ija h THR 73 CO 0.24 0.00 -1.32 0.59 0.37 0.00 0.00 175.52 175.40 1ija n ASN 74 N -3.47 3.83 0.29 4.18 4.13 -1.26 -4.55 115.26 118.41 1ija n ASN 74 Ca 0.11 0.00 0.14 0.00 1.68 0.00 0.00 54.58 56.50 1ija n ASN 74 Cb 0.85 0.68 0.67 0.00 -1.54 0.00 0.00 39.78 40.44 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 -0.43 3.41 6.46 -1.57 2.32 115.31 125.50 1ija h LEU 75 Ca -0.12 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.64 1ija h LEU 75 Cb 1.19 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.12 1ija h LEU 75 CO 0.01 0.00 0.00 0.07 -0.62 0.00 0.00 178.44 177.90 1ija h LYS 76 N 0.00 0.00 0.00 1.25 2.10 -1.77 -2.93 116.57 115.21 1ija h LYS 76 Ca 0.04 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.48 1ija h LYS 76 Cb 0.99 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.29 1ija h LYS 76 CO -0.00 0.00 -1.06 0.00 -2.00 0.00 0.00 179.45 176.39 1ija h ALA 77 N 2.16 0.48 -1.64 0.07 0.00 0.36 -3.45 119.26 117.24 1ija h ALA 77 Ca 0.00 -0.93 -0.71 0.00 0.00 0.00 0.00 54.91 53.27 1ija h ALA 77 Cb 0.74 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.54 1ija h ALA 77 CO 0.00 1.20 0.75 0.00 0.00 0.00 0.00 179.25 181.20 1ija n ALA 78 N -2.37 -0.36 -2.13 0.00 0.00 -1.11 -4.95 120.51 109.59 1ija n ALA 78 Ca -0.03 0.43 -0.21 0.00 0.00 0.00 0.00 53.44 53.63 1ija n ALA 78 Cb 0.92 -2.19 0.04 0.00 0.00 0.00 0.00 19.45 18.22 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 2.43 2.34 0.68 0.00 1.02 -1.26 -4.96 119.74 119.99 1ija s LYS 79 Ca 0.93 -1.70 -0.17 0.00 0.02 0.00 0.00 55.97 55.05 1ija s LYS 79 Cb -1.00 -2.51 -0.05 0.00 -0.52 0.00 0.00 37.83 33.75 1ija s LYS 79 CO 0.58 -0.73 0.57 1.63 -0.92 0.00 0.00 175.35 176.47 1ija n LYS 80 N -2.07 0.40 0.00 1.68 5.02 -1.26 -1.14 118.16 120.79 1ija n LYS 80 Ca 0.10 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 1ija n LYS 80 Cb 0.62 -1.83 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 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 1.65 3.10 3.55 0.72 0.00 0.74 -4.92 105.19 110.02 1ija n GLY 81 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.07 4.48 1.00 1.61 0.01 -0.29 -4.45 113.70 114.99 1ija s SER 82 Ca 0.00 0.42 -0.12 0.00 1.31 0.00 0.00 55.95 57.56 1ija s SER 82 Cb 0.00 -2.53 0.19 0.00 0.21 0.00 0.00 66.02 63.89 1ija s SER 82 CO 0.00 -3.10 1.08 -0.04 0.41 0.00 0.00 173.24 171.59 1ija s MET 83 N 8.11 0.38 -0.09 12.44 -1.94 -1.26 -2.95 119.30 133.98 1ija s MET 83 Ca 0.88 0.96 -0.03 0.00 -1.71 0.00 0.00 55.69 55.78 1ija s MET 83 Cb -0.14 -1.70 0.05 0.00 2.01 0.00 0.00 34.83 35.06 1ija s MET 83 CO 0.16 -2.89 0.17 0.14 -0.01 0.00 0.00 175.02 172.60 1ija s VAL 84 N -2.71 -0.25 -0.42 -6.03 -7.23 -1.14 -4.67 120.40 97.96 1ija s VAL 84 Ca 0.66 0.32 -0.18 0.00 -1.81 0.00 0.00 61.98 60.97 1ija s VAL 84 Cb -0.21 -0.31 0.02 0.00 0.56 0.00 0.00 36.38 36.44 1ija s VAL 84 CO 0.60 0.13 0.50 -0.31 -0.31 0.00 0.00 175.10 175.71 1ija s TYR 85 N 2.14 3.14 -0.39 2.82 1.51 -0.95 -2.69 117.35 122.93 1ija s TYR 85 Ca 0.01 -0.23 -0.17 0.00 -1.01 0.00 0.00 57.07 55.67 1ija s TYR 85 Cb -0.12 -3.02 0.01 0.00 -0.11 0.00 0.00 41.96 38.72 1ija s TYR 85 CO -0.06 -0.73 0.44 0.12 -1.11 0.00 0.00 175.55 174.21 1ija s PHE 86 N 2.35 3.18 0.13 2.71 5.36 -0.93 -2.66 117.98 128.12 1ija s PHE 86 Ca 0.16 -0.18 -0.04 0.00 -0.96 0.00 0.00 56.93 55.90 1ija s PHE 86 Cb -0.16 -2.86 -0.05 0.00 -0.34 0.00 0.00 43.02 39.60 1ija s PHE 86 CO 0.15 -0.61 0.35 0.21 -1.46 0.00 0.00 175.22 173.86 1ija s LYS 87 N 2.18 3.59 -0.28 10.12 2.20 -0.20 -2.15 119.74 135.20 1ija s LYS 87 Ca 0.13 -0.13 0.02 0.00 -0.36 0.00 0.00 55.97 55.63 1ija s LYS 87 Cb -0.16 -2.88 0.17 0.00 -1.51 0.00 0.00 37.83 33.45 1ija s LYS 87 CO 0.13 0.49 0.48 0.08 -0.36 0.00 0.00 175.35 176.18 1ija s VAL 88 N -1.63 -0.79 0.00 4.02 1.01 -0.17 -1.51 120.40 121.32 1ija s VAL 88 Ca 0.40 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.25 1ija s VAL 88 Cb -0.12 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.29 1ija s VAL 88 CO 0.25 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.83 1ija n GLY 89 N 5.39 3.27 2.48 4.51 0.00 -1.26 -1.47 105.19 118.10 1ija n GLY 89 Ca 0.01 0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 4.10 6.92 -3.65 1.61 4.13 -1.26 -4.87 115.26 122.24 1ija n ASN 90 Ca 0.00 -3.17 -0.15 0.00 1.68 0.00 0.00 54.58 52.94 1ija n ASN 90 Cb 0.00 -1.28 -0.08 0.00 -1.54 0.00 0.00 39.78 36.89 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 -1.48 0.78 -0.24 3.52 2.56 -0.54 -5.15 118.70 118.15 1ija s GLU 91 Ca 0.58 0.31 -0.03 0.00 0.00 0.00 0.00 54.97 55.83 1ija s GLU 91 Cb 0.32 0.37 0.13 0.00 2.00 0.00 0.00 34.13 36.95 1ija s GLU 91 CO -0.18 -0.19 0.38 0.99 -0.56 0.00 0.00 175.26 175.70 1ija s THR 92 N -0.67 -0.60 0.41 -1.70 2.01 -1.26 -1.00 115.64 112.82 1ija s THR 92 Ca -0.08 -0.07 0.08 0.00 0.31 0.00 0.00 61.69 61.93 1ija s THR 92 Cb -0.03 -0.81 0.00 0.00 0.01 0.00 0.00 72.50 71.67 1ija s THR 92 CO 0.05 -0.12 0.54 -0.13 -0.69 0.00 0.00 174.62 174.26 1ija s ARG 93 N 2.55 2.82 0.02 4.92 3.00 -0.91 -4.94 118.95 126.40 1ija s ARG 93 Ca 0.13 -1.25 0.00 0.00 0.00 0.00 0.00 55.73 54.61 1ija s ARG 93 Cb -0.15 -2.72 -0.02 0.00 0.00 0.00 0.00 34.95 32.06 1ija s ARG 93 CO -0.16 -0.23 -0.03 0.15 0.00 0.00 0.00 175.30 175.04 1ija s LYS 94 N -4.31 0.26 0.33 3.54 3.01 -1.26 -2.18 119.74 119.13 1ija s LYS 94 Ca 0.53 -0.49 0.04 0.00 -1.01 0.00 0.00 55.97 55.04 1ija s LYS 94 Cb -0.09 0.07 -0.04 0.00 -1.01 0.00 0.00 37.83 36.76 1ija s LYS 94 CO 0.32 -0.04 0.15 0.71 0.51 0.00 0.00 175.35 177.01 1ija s TYR 95 N -1.16 1.68 -0.24 3.18 1.51 -1.10 -4.08 117.35 117.15 1ija s TYR 95 Ca -0.13 -1.34 -0.01 0.00 -1.01 0.00 0.00 57.07 54.58 1ija s TYR 95 Cb -0.08 -0.95 0.07 0.00 -0.11 0.00 0.00 41.96 40.89 1ija s TYR 95 CO -0.01 -0.45 0.04 0.21 -1.11 0.00 0.00 175.55 174.22 1ija s LYS 96 N -3.77 0.89 -0.79 -0.62 2.20 -1.04 -2.90 119.74 113.71 1ija s LYS 96 Ca 0.33 -0.77 -0.27 0.00 -0.36 0.00 0.00 55.97 54.90 1ija s LYS 96 Cb 0.04 -2.19 -0.17 0.00 -1.51 0.00 0.00 37.83 34.01 1ija s LYS 96 CO 0.17 -0.75 2.53 -0.12 -0.36 0.00 0.00 175.35 176.83 1ija n MET 97 N 4.89 0.44 -0.72 4.03 0.00 -1.15 -3.05 117.12 121.56 1ija n MET 97 Ca -0.07 -0.06 0.04 0.00 -0.00 0.00 0.00 57.70 57.61 1ija n MET 97 Cb 0.45 -2.36 0.06 0.00 0.00 0.00 0.00 33.22 31.37 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 7.63 0.64 -3.50 1.12 -1.04 -1.24 0.26 114.28 118.16 1ija n THR 98 Ca 0.54 -1.13 -0.00 0.00 -2.04 0.00 0.00 64.05 61.41 1ija n THR 98 Cb 0.27 0.41 -0.04 0.00 -1.82 0.00 0.00 70.33 69.14 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 -1.93 -0.72 0.25 8.00 0.15 -0.66 -4.98 113.70 113.81 1ija s SER 99 Ca 0.21 1.01 0.03 0.00 0.70 0.00 0.00 55.95 57.90 1ija s SER 99 Cb 0.21 1.74 -0.05 0.00 -1.71 0.00 0.00 66.02 66.21 1ija s SER 99 CO -0.05 -0.14 0.03 -0.63 1.20 0.00 0.00 173.24 173.64 1ija s ILE 100 N 2.37 0.94 0.00 6.45 1.01 -1.26 0.10 121.20 130.80 1ija s ILE 100 Ca -0.05 -2.02 0.00 0.00 0.00 0.00 0.00 60.65 58.59 1ija s ILE 100 Cb -0.07 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 39.91 1ija s ILE 100 CO -0.18 -0.19 0.00 -1.14 0.00 0.00 0.00 174.94 173.43 1ija n ARG 101 N -0.47 0.00 -1.08 2.79 0.63 -1.02 -4.88 116.66 112.63 1ija n ARG 101 Ca -0.03 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.86 1ija n ARG 101 Cb 0.65 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.54 1ija n ARG 101 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 1ija n ASP 102 N 0.00 -1.14 -3.64 6.15 5.68 -1.04 -4.74 116.55 117.83 1ija n ASP 102 Ca 0.00 0.10 -0.01 0.00 -0.50 0.00 0.00 54.79 54.38 1ija n ASP 102 Cb 0.00 -1.39 -0.06 0.00 -1.14 0.00 0.00 41.12 38.53 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 -1.31 -0.01 0.47 2.12 0.11 -1.26 -4.86 120.40 115.65 1ija s VAL 103 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1ija s VAL 103 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1ija s VAL 103 CO 0.00 0.00 0.00 1.17 -3.33 0.00 0.00 175.10 172.94 1ija n LYS 104 N 3.61 -5.13 0.00 1.54 4.81 -1.26 -4.29 118.16 117.44 1ija n LYS 104 Ca -0.18 3.76 0.00 0.00 -0.87 0.00 0.00 58.31 61.02 1ija n LYS 104 Cb 0.57 -4.19 0.02 0.00 0.02 0.00 0.00 35.03 31.46 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 -0.09 0.15 0.00 1.64 -0.04 -1.26 -4.81 135.00 130.58 1ija n PRO 105 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ija n PRO 105 Cb 0.00 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 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 -0.59 0.00 -4.79 0.52 -2.24 -1.26 -4.15 114.28 101.78 1ija n THR 106 Ca 0.01 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 1ija n THR 106 Cb 0.00 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.10 1ija n THR 106 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ija s ASP 107 N -4.00 3.45 0.00 3.42 1.01 -1.26 -4.98 116.67 114.31 1ija s ASP 107 Ca 0.00 -0.52 -0.00 0.00 0.71 0.00 0.00 52.55 52.73 1ija s ASP 107 Cb 0.00 -0.43 -0.02 0.00 1.01 0.00 0.00 42.92 43.48 1ija s ASP 107 CO 0.00 0.26 0.99 1.33 0.21 0.00 0.00 175.17 177.95 1ija n VAL 108 N 1.66 0.88 -2.83 -1.27 0.24 -1.26 -3.60 118.33 112.16 1ija n VAL 108 Ca -0.17 -0.28 -0.11 0.00 -2.04 0.00 0.00 64.34 61.75 1ija n VAL 108 Cb 0.52 -1.29 0.05 0.00 -1.47 0.00 0.00 33.84 31.65 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 1.98 1.77 0.23 7.63 0.00 -1.26 -4.92 105.19 110.61 1ija n GLY 109 Ca 0.03 -0.75 0.08 0.00 0.00 0.00 0.00 46.02 45.38 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 2.24 0.89 -2.03 1.61 -1.51 -1.88 -3.27 116.25 112.30 1ija h VAL 110 Ca -0.09 -0.84 -0.53 0.00 -1.23 0.00 0.00 66.70 64.02 1ija h VAL 110 Cb 1.13 1.49 -0.40 0.00 -2.13 0.00 0.00 31.29 31.38 1ija h VAL 110 CO 0.26 0.22 -1.10 0.18 -1.23 0.00 0.00 177.57 175.90 1ija n LEU 111 N -3.89 0.91 0.00 4.19 4.77 -1.26 -4.97 117.00 116.75 1ija n LEU 111 Ca -0.02 -4.94 0.00 0.00 -0.03 0.00 0.00 56.01 51.03 1ija n LEU 111 Cb 0.31 0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.94 1ija n LEU 111 CO 0.34 2.19 0.00 -0.67 -1.33 0.00 0.00 177.39 177.92 1ija n ASP 112 N 0.76 0.00 -0.42 -1.43 -0.08 -1.24 -5.07 116.55 109.07 1ija n ASP 112 Ca 0.24 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.52 1ija n ASP 112 Cb 0.58 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.04 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 0.00 -0.50 -0.67 0.28 -1.26 -4.83 120.64 113.66 1ija n GLU 113 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1ija n GLU 113 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 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 0.00 0.00 -1.58 3.44 0.00 -1.26 -4.83 117.38 113.15 1ija n GLN 114 Ca 0.00 -0.40 -0.58 0.00 0.00 0.00 0.00 57.00 56.02 1ija n GLN 114 Cb 0.43 -0.20 -0.08 0.00 0.00 0.00 0.00 30.24 30.39 1ija n GLN 114 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1ija n LYS 115 N 0.00 0.43 -0.41 2.61 4.76 -1.26 -4.66 118.16 119.63 1ija n LYS 115 Ca 0.00 0.16 -0.12 0.00 -2.87 0.00 0.00 58.31 55.48 1ija n LYS 115 Cb 0.58 -1.71 -0.02 0.00 -1.84 0.00 0.00 35.03 32.04 1ija n LYS 115 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ija n GLY 116 N 2.37 2.39 0.00 0.72 0.00 -1.26 -4.61 105.19 104.80 1ija n GLY 116 Ca 0.22 -0.47 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 4.33 0.00 -4.49 1.61 5.02 -1.26 -5.18 118.16 118.19 1ija n LYS 117 Ca 0.24 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.26 1ija n LYS 117 Cb 0.10 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.01 1ija n LYS 117 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ija s ASP 118 N 1.16 4.00 -0.85 4.39 1.11 -1.26 -4.99 116.67 120.22 1ija s ASP 118 Ca 0.00 -1.26 -0.25 0.00 0.18 0.00 0.00 52.55 51.22 1ija s ASP 118 Cb 0.00 -0.42 -0.20 0.00 1.07 0.00 0.00 42.92 43.37 1ija s ASP 118 CO 0.00 -0.42 2.49 1.17 1.18 0.00 0.00 175.17 179.59 1ija n LYS 119 N -1.00 0.33 -2.80 8.23 4.81 -1.26 -4.48 118.16 121.99 1ija n LYS 119 Ca -0.04 -0.10 -0.21 0.00 -0.87 0.00 0.00 58.31 57.09 1ija n LYS 119 Cb 0.66 -2.15 0.06 0.00 0.02 0.00 0.00 35.03 33.62 1ija n LYS 119 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 1ija s GLN 120 N 8.43 2.28 -0.12 1.64 0.00 -1.11 -2.40 119.66 128.37 1ija s GLN 120 Ca 1.21 -1.19 -0.00 0.00 -0.00 0.00 0.00 55.36 55.37 1ija s GLN 120 Cb -0.78 -2.53 0.03 0.00 0.00 0.00 0.00 33.01 29.73 1ija s GLN 120 CO 0.40 -0.89 -0.08 -0.51 0.00 0.00 0.00 175.29 174.22 1ija s LEU 121 N -4.77 1.27 -0.77 2.60 1.43 -1.13 -3.10 118.68 114.20 1ija s LEU 121 Ca 0.61 -0.36 -0.17 0.00 -1.03 0.00 0.00 54.13 53.18 1ija s LEU 121 Cb -0.08 -0.88 0.15 0.00 0.03 0.00 0.00 46.19 45.42 1ija s LEU 121 CO 0.39 -0.12 0.84 -0.89 0.23 0.00 0.00 176.35 176.81 1ija s THR 122 N 1.68 5.09 0.44 5.49 2.01 0.25 -2.51 115.64 128.09 1ija s THR 122 Ca 0.04 -1.71 -0.22 0.00 0.31 0.00 0.00 61.69 60.11 1ija s THR 122 Cb -0.13 -4.56 -0.09 0.00 0.01 0.00 0.00 72.50 67.73 1ija s THR 122 CO -0.08 -1.20 1.02 -0.76 -0.69 0.00 0.00 174.62 172.91 1ija s LEU 123 N 1.75 3.99 -0.03 4.42 2.01 -1.00 -2.18 118.68 127.65 1ija s LEU 123 Ca 0.20 1.91 -0.03 0.00 0.01 0.00 0.00 54.13 56.21 1ija s LEU 123 Cb -0.14 -4.40 0.01 0.00 0.01 0.00 0.00 46.19 41.67 1ija s LEU 123 CO -0.04 -0.55 0.08 -0.63 1.01 0.00 0.00 176.35 176.22 1ija s ILE 124 N -1.89 0.01 0.38 -0.59 1.01 -0.34 -2.27 121.20 117.51 1ija s ILE 124 Ca 0.62 -0.05 0.04 0.00 0.00 0.00 0.00 60.65 61.25 1ija s ILE 124 Cb -0.17 -0.14 -0.01 0.00 0.01 0.00 0.00 42.46 42.16 1ija s ILE 124 CO 0.21 -0.03 0.55 0.42 0.00 0.00 0.00 174.94 176.09 1ija s THR 125 N -0.06 4.06 -0.11 2.92 -4.23 -1.06 -1.87 115.64 115.28 1ija s THR 125 Ca -0.01 -0.79 -0.11 0.00 -1.18 0.00 0.00 61.69 59.60 1ija s THR 125 Cb -0.01 -3.44 0.03 0.00 1.34 0.00 0.00 72.50 70.41 1ija s THR 125 CO 0.00 -0.23 0.32 0.00 -0.54 0.00 0.00 174.62 174.17 1ija n ASP 127 N 2.78 0.00 -3.35 0.00 2.03 -1.26 -2.71 116.55 114.04 1ija n ASP 127 Ca -0.14 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.01 1ija n ASP 127 Cb 0.58 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 41.02 1ija n ASP 127 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1ija n ASP 128 N 0.00 -6.51 -4.69 1.67 8.00 -1.26 -4.24 116.55 109.52 1ija n ASP 128 Ca 0.00 -0.63 -0.42 0.00 0.71 0.00 0.00 54.79 54.44 1ija n ASP 128 Cb 0.00 -4.52 -0.03 0.00 -0.02 0.00 0.00 41.12 36.55 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 -3.27 2.37 -0.17 1.24 6.14 -1.26 -2.71 117.35 119.68 1ija s TYR 129 Ca 0.31 0.23 -0.23 0.00 0.64 0.00 0.00 57.07 58.01 1ija s TYR 129 Cb -0.07 -4.03 -0.02 0.00 0.42 0.00 0.00 41.96 38.26 1ija s TYR 129 CO 0.79 -4.16 0.73 1.21 0.64 0.00 0.00 175.55 174.75 1ija s ASN 130 N 2.43 6.84 0.00 4.32 2.47 -0.71 -4.77 114.94 125.51 1ija s ASN 130 Ca 0.76 1.02 0.21 0.00 0.42 0.00 0.00 52.86 55.27 1ija s ASN 130 Cb -0.42 -2.40 0.81 0.00 -1.45 0.00 0.00 41.25 37.79 1ija s ASN 130 CO 0.33 -0.32 1.58 -1.84 -3.72 0.00 0.00 177.10 173.13 1ija n GLU 131 N 5.04 1.61 -0.00 0.43 0.28 -1.26 -2.64 120.64 124.10 1ija n GLU 131 Ca 0.01 -0.92 -0.02 0.00 -0.16 0.00 0.00 57.16 56.08 1ija n GLU 131 Cb 0.49 -1.38 -0.01 0.00 1.43 0.00 0.00 31.44 31.98 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 1.87 -0.10 -0.02 3.44 1.79 -1.92 -3.36 116.57 118.26 1ija h LYS 132 Ca 0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1ija h LYS 132 Cb 0.41 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1ija h LYS 132 CO 0.00 -0.06 -0.25 0.25 -1.08 0.00 0.00 179.45 178.31 1ija n THR 133 N -4.85 0.00 -2.85 -0.16 -2.24 -1.26 -4.96 114.28 97.97 1ija n THR 133 Ca -0.01 -0.26 -0.10 0.00 -2.27 0.00 0.00 64.05 61.40 1ija n THR 133 Cb 0.04 0.93 0.04 0.00 -2.10 0.00 0.00 70.33 69.25 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 1.35 0.09 3.19 3.38 0.00 -1.09 -5.04 105.19 107.07 1ija n GLY 134 Ca 0.13 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.18 0.13 -0.23 1.61 1.01 -1.08 -5.02 120.40 113.64 1ija s VAL 135 Ca 0.11 -1.08 -0.28 0.00 0.00 0.00 0.00 61.98 60.73 1ija s VAL 135 Cb -0.05 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 1ija s VAL 135 CO 0.37 -0.59 1.98 0.26 0.00 0.00 0.00 175.10 177.12 1ija s TRP 136 N -3.36 1.50 0.00 5.22 0.52 -1.26 -1.75 118.94 119.81 1ija s TRP 136 Ca 0.01 0.47 0.00 0.00 0.02 0.00 0.00 56.10 56.60 1ija s TRP 136 Cb 0.03 -4.03 0.00 0.00 -1.15 0.00 0.00 33.47 28.32 1ija s TRP 136 CO -0.08 -3.73 0.55 -1.91 0.02 0.00 0.00 176.95 171.80 1ija n GLU 137 N 8.39 0.00 -4.17 4.98 2.13 -1.10 -4.58 120.64 126.30 1ija n GLU 137 Ca 0.25 0.55 -0.16 0.00 0.66 0.00 0.00 57.16 58.46 1ija n GLU 137 Cb 0.45 -0.86 -0.13 0.00 0.27 0.00 0.00 31.44 31.17 1ija n GLU 137 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1ija s LYS 138 N -2.52 0.63 0.00 5.31 2.20 -1.26 -4.99 119.74 119.11 1ija s LYS 138 Ca 0.00 -0.64 0.00 0.00 -0.36 0.00 0.00 55.97 54.97 1ija s LYS 138 Cb 0.00 -0.53 0.00 0.00 -1.51 0.00 0.00 37.83 35.79 1ija s LYS 138 CO 0.00 0.12 0.00 2.89 -0.36 0.00 0.00 175.35 178.00 1ija n ARG 139 N 1.91 0.00 -3.94 4.03 -4.01 -1.26 -4.36 116.66 109.04 1ija n ARG 139 Ca -0.19 0.00 -0.09 0.00 -1.04 0.00 0.00 57.85 56.53 1ija n ARG 139 Cb 0.55 0.00 -0.08 0.00 -3.04 0.00 0.00 32.46 29.90 1ija n ARG 139 CO 0.00 0.00 0.00 0.15 -3.04 0.00 0.00 177.63 174.74 1ija s LYS 140 N 0.14 0.93 -0.01 2.89 1.02 -1.26 -4.95 119.74 118.50 1ija s LYS 140 Ca 0.00 -1.10 0.02 0.00 0.02 0.00 0.00 55.97 54.92 1ija s LYS 140 Cb 0.00 0.33 -0.00 0.00 -0.52 0.00 0.00 37.83 37.64 1ija s LYS 140 CO 0.00 -0.30 -0.08 0.42 -0.92 0.00 0.00 175.35 174.47 1ija s ILE 141 N -3.92 0.63 0.26 2.17 1.01 -1.26 -2.56 121.20 117.53 1ija s ILE 141 Ca 0.11 -0.32 0.05 0.00 0.00 0.00 0.00 60.65 60.49 1ija s ILE 141 Cb 0.05 -0.55 -0.06 0.00 0.01 0.00 0.00 42.46 41.92 1ija s ILE 141 CO -0.06 0.19 -0.02 -0.36 0.00 0.00 0.00 174.94 174.69 1ija s PHE 142 N -0.02 1.75 -0.17 3.97 0.40 -0.96 -2.43 117.98 120.52 1ija s PHE 142 Ca 0.01 -0.84 -0.04 0.00 -0.60 0.00 0.00 56.93 55.45 1ija s PHE 142 Cb -0.05 -1.02 0.08 0.00 0.51 0.00 0.00 43.02 42.54 1ija s PHE 142 CO -0.00 0.08 0.25 0.08 0.70 0.00 0.00 175.22 176.33 1ija s VAL 143 N -3.26 -0.39 0.41 -0.44 1.01 0.28 -2.36 120.40 115.66 1ija s VAL 143 Ca 0.30 0.08 0.08 0.00 0.00 0.00 0.00 61.98 62.44 1ija s VAL 143 Cb 0.05 -0.57 0.01 0.00 0.00 0.00 0.00 36.38 35.87 1ija s VAL 143 CO 0.11 -0.04 0.55 0.00 0.00 0.00 0.00 175.10 175.72 1ija s ALA 144 N 2.39 4.48 -0.06 5.51 0.00 -1.04 -1.66 121.76 131.37 1ija s ALA 144 Ca 0.05 -1.65 0.01 0.00 0.00 0.00 0.00 51.96 50.37 1ija s ALA 144 Cb -0.14 -1.62 0.02 0.00 0.00 0.00 0.00 23.12 21.38 1ija s ALA 144 CO -0.11 -0.25 -0.07 -0.08 0.00 0.00 0.00 175.76 175.26 1ija s THR 145 N -2.33 0.78 0.23 0.00 -1.32 -1.17 -2.84 115.64 108.99 1ija s THR 145 Ca 0.53 -0.24 -0.32 0.00 -1.21 0.00 0.00 61.69 60.46 1ija s THR 145 Cb -0.10 -0.77 -0.12 0.00 -1.51 0.00 0.00 72.50 70.00 1ija s THR 145 CO 0.33 0.29 1.65 1.21 -2.21 0.00 0.00 174.62 175.88 1ija n GLU 146 N 4.17 2.64 -2.68 7.08 0.00 -1.01 -2.51 120.64 128.34 1ija n GLU 146 Ca -0.21 0.95 -0.22 0.00 0.00 0.00 0.00 57.16 57.67 1ija n GLU 146 Cb 0.51 -2.76 0.09 0.00 0.00 0.00 0.00 31.44 29.28 1ija n GLU 146 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1ija s VAL 147 N 0.69 2.25 -2.00 6.31 1.01 -1.26 -4.82 120.40 122.59 1ija s VAL 147 Ca 0.72 -0.68 0.31 0.00 0.00 0.00 0.00 61.98 62.32 1ija s VAL 147 Cb -0.53 -2.57 0.88 0.00 0.00 0.00 0.00 36.38 34.16 1ija s VAL 147 CO 0.39 0.00 2.18 0.29 0.00 0.00 0.00 175.10 177.96