#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ija s GLN 2 N 0.00 3.91 0.90 0.03 1.03 -1.26 -4.99 119.66 119.28 1ija s GLN 2 Ca 0.00 2.13 -0.12 0.00 0.04 0.00 0.00 55.36 57.41 1ija s GLN 2 Cb 0.00 -2.70 0.13 0.00 0.03 0.00 0.00 33.01 30.47 1ija s GLN 2 CO 0.00 -0.53 1.10 0.00 -2.54 0.00 0.00 175.29 173.31 1ija s ALA 3 N -1.29 1.56 -0.41 2.60 0.00 -1.26 -5.02 121.76 117.95 1ija s ALA 3 Ca 0.58 -0.19 0.09 0.00 0.00 0.00 0.00 51.96 52.44 1ija s ALA 3 Cb -0.37 -3.15 0.35 0.00 0.00 0.00 0.00 23.12 19.95 1ija s ALA 3 CO 0.48 -2.34 1.01 1.17 0.00 0.00 0.00 175.76 176.08 1ija n LYS 4 N -3.86 1.03 0.00 0.00 4.81 -1.26 -5.08 118.16 113.81 1ija n LYS 4 Ca 0.07 -2.48 0.00 0.00 -0.87 0.00 0.00 58.31 55.03 1ija n LYS 4 Cb 0.56 -1.15 0.00 0.00 0.02 0.00 0.00 35.03 34.46 1ija n LYS 4 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1ija n PRO 5 N 0.20 0.94 -2.78 1.64 -0.04 -1.26 -4.89 135.00 128.80 1ija n PRO 5 Ca 0.11 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.14 1ija n PRO 5 Cb 0.71 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.18 1ija n PRO 5 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1ija n GLN 6 N -0.05 3.91 -3.03 0.54 -0.06 -1.26 -4.97 117.38 112.46 1ija n GLN 6 Ca 0.00 -4.07 -0.42 0.00 -2.00 0.00 0.00 57.00 50.51 1ija n GLN 6 Cb 0.00 -2.74 -0.06 0.00 -4.06 0.00 0.00 30.24 23.38 1ija n GLN 6 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1ija s ILE 7 N -0.87 4.79 -0.13 1.69 1.01 -1.26 -5.02 121.20 121.40 1ija s ILE 7 Ca 0.36 0.63 -0.29 0.00 0.00 0.00 0.00 60.65 61.35 1ija s ILE 7 Cb 0.04 -4.18 -0.02 0.00 0.01 0.00 0.00 42.46 38.32 1ija s ILE 7 CO 0.03 -0.45 1.18 -2.16 0.00 0.00 0.00 174.94 173.54 1ija s PRO 8 N 2.96 4.30 0.00 2.79 0.04 -1.26 -4.88 135.00 138.96 1ija s PRO 8 Ca 0.28 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.91 1ija s PRO 8 Cb -0.14 -3.65 0.00 0.00 0.04 0.00 0.00 34.50 30.76 1ija s PRO 8 CO 0.17 -0.56 0.86 1.63 0.04 0.00 0.00 177.00 179.15 1ija n LYS 9 N 5.89 0.00 -2.42 4.56 5.02 -1.26 -4.30 118.16 125.65 1ija n LYS 9 Ca 0.12 0.37 -0.39 0.00 -2.02 0.00 0.00 58.31 56.39 1ija n LYS 9 Cb 0.46 -1.51 -0.03 0.00 -0.02 0.00 0.00 35.03 33.93 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 -2.73 6.03 0.00 4.39 1.11 -1.26 -4.79 116.67 119.42 1ija s ASP 10 Ca 0.00 -0.75 0.00 0.00 0.18 0.00 0.00 52.55 51.98 1ija s ASP 10 Cb 0.00 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.43 1ija s ASP 10 CO 0.00 -1.91 0.71 0.29 1.18 0.00 0.00 175.17 175.45 1ija n LYS 11 N 9.10 0.00 -1.72 8.23 5.02 -1.26 -1.28 118.16 136.25 1ija n LYS 11 Ca 0.21 0.24 -0.29 0.00 -2.02 0.00 0.00 58.31 56.45 1ija n LYS 11 Cb 0.50 -1.54 0.05 0.00 -0.02 0.00 0.00 35.03 34.02 1ija n LYS 11 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1ija n SER 12 N -1.21 6.24 -3.80 4.39 2.88 -1.26 -4.70 113.62 116.15 1ija n SER 12 Ca 0.00 -3.77 -0.13 0.00 -1.33 0.00 0.00 58.87 53.64 1ija n SER 12 Cb 0.04 -0.65 -0.14 0.00 -0.75 0.00 0.00 64.21 62.71 1ija n SER 12 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1ija s LYS 13 N -3.71 0.08 0.03 -1.46 -0.14 -0.40 -5.11 119.74 109.02 1ija s LYS 13 Ca 0.57 0.20 -0.30 0.00 -1.36 0.00 0.00 55.97 55.08 1ija s LYS 13 Cb 0.46 -0.06 -0.09 0.00 -1.68 0.00 0.00 37.83 36.46 1ija s LYS 13 CO 0.00 -0.08 1.94 0.08 -0.76 0.00 0.00 175.35 176.54 1ija s VAL 14 N 0.52 3.06 -0.11 3.17 1.01 -1.26 -4.53 120.40 122.25 1ija s VAL 14 Ca -0.04 0.08 0.22 0.00 0.00 0.00 0.00 61.98 62.24 1ija s VAL 14 Cb -0.05 -3.05 -0.20 0.00 0.00 0.00 0.00 36.38 33.07 1ija s VAL 14 CO -0.02 -0.01 0.71 0.00 0.00 0.00 0.00 175.10 175.78 1ija n ALA 15 N 7.50 2.69 -3.00 5.51 0.00 -0.64 -4.98 120.51 127.59 1ija n ALA 15 Ca 0.20 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1ija n ALA 15 Cb 0.41 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1ija n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ija n GLY 16 N 1.23 1.20 3.26 0.00 0.00 -1.24 -4.44 105.19 105.21 1ija n GLY 16 Ca -0.02 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 45.05 1ija n GLY 16 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ija s TYR 17 N -4.56 -0.66 0.12 1.61 6.14 -1.02 -2.80 117.35 116.18 1ija s TYR 17 Ca 0.00 1.35 -0.10 0.00 0.64 0.00 0.00 57.07 58.96 1ija s TYR 17 Cb 0.00 0.27 -0.06 0.00 0.42 0.00 0.00 41.96 42.59 1ija s TYR 17 CO 0.00 -0.39 0.45 -1.50 0.64 0.00 0.00 175.55 174.75 1ija s ILE 18 N 1.79 5.03 -0.10 3.14 2.07 -0.52 -0.38 121.20 132.23 1ija s ILE 18 Ca -0.07 0.50 -0.05 0.00 -1.41 0.00 0.00 60.65 59.63 1ija s ILE 18 Cb -0.10 -3.66 0.05 0.00 0.13 0.00 0.00 42.46 38.88 1ija s ILE 18 CO -0.13 0.21 0.23 -0.70 -1.91 0.00 0.00 174.94 172.65 1ija s GLU 19 N -2.09 0.17 -0.08 3.50 2.56 -0.94 -2.67 118.70 119.14 1ija s GLU 19 Ca 0.36 0.56 -0.03 0.00 0.00 0.00 0.00 54.97 55.86 1ija s GLU 19 Cb -0.14 -0.12 0.04 0.00 2.00 0.00 0.00 34.13 35.92 1ija s GLU 19 CO 0.19 -0.20 0.17 0.42 -0.56 0.00 0.00 175.26 175.29 1ija s ILE 20 N 1.54 -0.11 -0.04 -3.70 1.01 -0.69 -2.10 121.20 117.10 1ija s ILE 20 Ca -0.07 0.21 -0.23 0.00 0.00 0.00 0.00 60.65 60.57 1ija s ILE 20 Cb -0.11 -0.29 -0.25 0.00 0.01 0.00 0.00 42.46 41.82 1ija s ILE 20 CO -0.08 0.09 1.00 1.55 0.00 0.00 0.00 174.94 177.50 1ija h PRO 21 N 7.50 0.25 -0.53 2.79 0.13 -1.85 0.19 132.00 140.48 1ija h PRO 21 Ca -0.36 -0.31 0.15 0.00 -0.87 0.00 0.00 66.00 64.62 1ija h PRO 21 Cb 1.14 0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1ija h PRO 21 CO 0.35 1.04 0.62 -0.44 -0.23 0.00 0.00 178.00 179.34 1ija h ASP 22 N -0.40 0.00 0.00 1.44 5.19 -1.97 0.38 116.42 121.07 1ija h ASP 22 Ca -0.06 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 1ija h ASP 22 Cb 1.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.73 1ija h ASP 22 CO 0.09 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.21 1ija n ALA 23 N -2.29 2.00 -4.20 3.45 0.00 -1.21 -4.49 120.51 113.77 1ija n ALA 23 Ca 0.11 -0.93 -0.36 0.00 0.00 0.00 0.00 53.44 52.25 1ija n ALA 23 Cb 0.82 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.22 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 -0.43 -2.25 -4.87 0.00 5.75 0.13 -4.67 116.55 110.21 1ija n ASP 24 Ca 0.00 -0.97 -0.34 0.00 -0.01 0.00 0.00 54.79 53.47 1ija n ASP 24 Cb 0.24 -1.92 -0.05 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 -3.12 5.01 -0.46 2.12 1.01 0.39 -4.93 121.20 121.23 1ija s ILE 25 Ca 0.71 0.51 0.03 0.00 0.00 0.00 0.00 60.65 61.90 1ija s ILE 25 Cb -0.41 -3.66 0.20 0.00 0.01 0.00 0.00 42.46 38.60 1ija s ILE 25 CO 0.87 0.19 0.83 -0.75 0.00 0.00 0.00 174.94 176.08 1ija s LYS 26 N -2.16 0.82 0.11 2.79 2.20 -1.25 -1.71 119.74 120.54 1ija s LYS 26 Ca 0.38 -0.79 0.04 0.00 -0.36 0.00 0.00 55.97 55.24 1ija s LYS 26 Cb -0.14 -0.03 -0.04 0.00 -1.51 0.00 0.00 37.83 36.12 1ija s LYS 26 CO 0.20 -1.02 -0.11 -1.21 -0.36 0.00 0.00 175.35 172.85 1ija s GLU 27 N 0.96 0.92 0.67 4.03 8.01 -1.09 -4.97 118.70 127.23 1ija s GLU 27 Ca 0.27 -1.23 -0.09 0.00 0.01 0.00 0.00 54.97 53.93 1ija s GLU 27 Cb 0.03 -0.62 0.02 0.00 -4.31 0.00 0.00 34.13 29.25 1ija s GLU 27 CO -0.07 0.10 1.03 -1.25 0.01 0.00 0.00 175.26 175.08 1ija s PRO 28 N -2.97 2.82 -0.07 0.39 0.04 -1.26 -1.44 135.00 132.52 1ija s PRO 28 Ca 0.08 0.27 0.01 0.00 0.04 0.00 0.00 61.00 61.40 1ija s PRO 28 Cb -0.02 -2.11 0.02 0.00 0.04 0.00 0.00 34.50 32.43 1ija s PRO 28 CO 0.01 -0.95 -0.07 0.14 0.04 0.00 0.00 177.00 176.17 1ija s VAL 29 N -3.24 0.78 0.26 -0.36 -7.23 -1.12 -3.19 120.40 106.29 1ija s VAL 29 Ca 0.57 -0.23 -0.10 0.00 -1.81 0.00 0.00 61.98 60.41 1ija s VAL 29 Cb -0.11 -0.78 -0.07 0.00 0.56 0.00 0.00 36.38 35.98 1ija s VAL 29 CO 0.49 0.29 0.59 -0.31 -0.31 0.00 0.00 175.10 175.86 1ija s TYR 30 N 1.09 3.42 -0.60 2.82 2.02 -0.04 -1.62 117.35 124.44 1ija s TYR 30 Ca -0.08 0.93 -0.27 0.00 -0.37 0.00 0.00 57.07 57.29 1ija s TYR 30 Cb -0.14 -2.31 0.03 0.00 -0.40 0.00 0.00 41.96 39.14 1ija s TYR 30 CO -0.01 0.22 1.14 -1.25 -1.57 0.00 0.00 175.55 174.08 1ija s PRO 31 N -2.92 3.41 0.00 -1.71 0.04 -1.26 -2.94 135.00 129.62 1ija s PRO 31 Ca 0.49 0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.55 1ija s PRO 31 Cb -0.11 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.38 1ija s PRO 31 CO 0.21 -1.71 0.00 0.41 0.04 0.00 0.00 177.00 175.96 1ija n GLY 32 N 5.13 -1.38 3.65 0.56 0.00 -1.26 -4.57 105.19 107.31 1ija n GLY 32 Ca 0.06 -1.01 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.42 4.14 -0.81 1.61 0.04 -1.26 -3.23 135.00 134.06 1ija s PRO 33 Ca 0.00 1.25 -0.10 0.00 0.04 0.00 0.00 61.00 62.19 1ija s PRO 33 Cb 0.00 -3.72 -0.26 0.00 0.04 0.00 0.00 34.50 30.57 1ija s PRO 33 CO 0.00 -0.80 2.00 0.00 0.04 0.00 0.00 177.00 178.23 1ija n ALA 34 N 6.71 0.90 -2.79 8.56 0.00 -0.98 -4.85 120.51 128.06 1ija n ALA 34 Ca 0.12 -0.97 -0.27 0.00 0.00 0.00 0.00 53.44 52.32 1ija n ALA 34 Cb 0.46 -2.23 -0.06 0.00 0.00 0.00 0.00 19.45 17.62 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 2.49 4.49 0.09 0.00 -4.23 -1.26 -5.00 115.64 112.22 1ija s THR 35 Ca 1.04 -0.99 -0.16 0.00 -1.18 0.00 0.00 61.69 60.40 1ija s THR 35 Cb -0.59 -3.25 -0.10 0.00 1.34 0.00 0.00 72.50 69.90 1ija s THR 35 CO 0.40 -0.04 1.40 1.55 -0.54 0.00 0.00 174.62 177.39 1ija h PRO 36 N 2.68 0.64 0.00 3.99 0.13 -1.98 -0.36 132.00 137.09 1ija h PRO 36 Ca -0.47 -0.35 -0.01 0.00 -0.87 0.00 0.00 66.00 64.30 1ija h PRO 36 Cb 1.19 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1ija h PRO 36 CO 0.64 0.96 -0.03 1.05 -0.23 0.00 0.00 178.00 180.38 1ija h GLU 37 N 0.36 0.00 0.00 0.86 4.11 -1.98 -2.66 114.58 115.27 1ija h GLU 37 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.47 1ija h GLU 37 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1ija h GLU 37 CO 0.07 0.03 -0.51 0.94 0.07 0.00 0.00 179.01 179.62 1ija n GLN 38 N -3.25 0.36 0.29 1.06 7.27 -1.12 -4.13 117.38 117.87 1ija n GLN 38 Ca -0.01 0.36 0.06 0.00 0.07 0.00 0.00 57.00 57.48 1ija n GLN 38 Cb 0.20 -1.38 0.33 0.00 2.41 0.00 0.00 30.24 31.80 1ija n GLN 38 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 1ija h LEU 39 N -0.76 0.00 -2.07 1.69 3.38 -1.12 2.20 115.31 118.63 1ija h LEU 39 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1ija h LEU 39 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1ija h LEU 39 CO 0.00 0.00 -0.09 0.78 0.09 0.00 0.00 178.44 179.22 1ija h ASN 40 N 0.00 0.00 1.50 -0.43 4.21 -1.63 0.30 115.58 119.54 1ija h ASN 40 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1ija h ASN 40 Cb 1.28 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.48 1ija h ASN 40 CO 0.00 0.09 -0.29 0.03 -1.29 0.00 0.00 177.43 175.96 1ija h ARG 41 N 0.00 0.00 0.00 0.81 3.08 0.35 -3.49 114.38 115.12 1ija h ARG 41 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ija h ARG 41 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1ija h ARG 41 CO 0.01 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.32 1ija n GLY 42 N 1.20 -0.55 3.65 0.04 0.00 0.11 -5.08 105.19 104.56 1ija n GLY 42 Ca 0.03 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.37 2.65 0.10 1.61 1.01 -1.19 -4.41 120.40 119.79 1ija s VAL 43 Ca 0.00 -1.91 -0.25 0.00 0.00 0.00 0.00 61.98 59.82 1ija s VAL 43 Cb 0.00 -2.84 0.08 0.00 0.00 0.00 0.00 36.38 33.62 1ija s VAL 43 CO 0.00 -0.18 0.69 -0.55 0.00 0.00 0.00 175.10 175.06 1ija s SER 44 N -3.75 -0.52 1.06 3.32 0.15 -1.17 -0.86 113.70 111.93 1ija s SER 44 Ca 0.36 0.06 -0.12 0.00 0.70 0.00 0.00 55.95 56.94 1ija s SER 44 Cb 0.00 0.53 0.21 0.00 -1.71 0.00 0.00 66.02 65.05 1ija s SER 44 CO 0.20 -0.84 0.96 0.49 1.20 0.00 0.00 173.24 175.25 1ija n PHE 45 N -0.23 -0.44 0.21 3.44 3.72 -1.15 -1.89 117.46 121.12 1ija n PHE 45 Ca -0.15 0.11 0.10 0.00 -0.05 0.00 0.00 57.45 57.47 1ija n PHE 45 Cb 0.63 -1.82 0.28 0.00 -0.94 0.00 0.00 39.48 37.64 1ija n PHE 45 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ija h ALA 46 N -2.27 0.93 -3.26 4.37 0.00 0.21 -2.61 119.26 116.63 1ija h ALA 46 Ca -0.53 -0.14 -0.23 0.00 0.00 0.00 0.00 54.91 54.01 1ija h ALA 46 Cb 1.31 -0.02 -0.23 0.00 0.00 0.00 0.00 17.79 18.84 1ija h ALA 46 CO 0.44 0.19 -0.72 -1.21 0.00 0.00 0.00 179.25 177.95 1ija s GLU 47 N -3.31 0.35 0.55 0.00 8.01 -1.26 -3.43 118.70 119.62 1ija s GLU 47 Ca 0.04 -0.52 0.30 0.00 0.01 0.00 0.00 54.97 54.80 1ija s GLU 47 Cb 0.07 -0.10 1.62 0.00 -4.31 0.00 0.00 34.13 31.41 1ija s GLU 47 CO 0.66 0.01 2.14 1.05 0.01 0.00 0.00 175.26 179.12 1ija h GLU 48 N 4.97 0.00 -0.09 1.61 -0.00 -1.86 -1.89 114.58 117.33 1ija h GLU 48 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.04 1ija h GLU 48 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.96 1ija h GLU 48 CO 0.43 0.08 0.00 -1.71 -0.00 0.00 0.00 179.01 177.81 1ija n ASN 49 N -3.60 1.05 -4.70 3.06 4.05 -1.26 -4.59 115.26 109.27 1ija n ASN 49 Ca -0.02 -1.55 -0.30 0.00 0.45 0.00 0.00 54.58 53.16 1ija n ASN 49 Cb 0.19 -0.05 0.14 0.00 1.23 0.00 0.00 39.78 41.29 1ija n ASN 49 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 177.26 173.51 1ija s GLU 50 N -1.89 1.35 0.27 1.20 2.56 -0.71 -5.03 118.70 116.44 1ija s GLU 50 Ca 0.33 1.20 -0.06 0.00 0.00 0.00 0.00 54.97 56.44 1ija s GLU 50 Cb 0.17 -1.79 -0.01 0.00 2.00 0.00 0.00 34.13 34.50 1ija s GLU 50 CO 0.27 -2.29 0.38 -1.12 -0.56 0.00 0.00 175.26 171.94 1ija s SER 51 N -3.08 0.36 -0.04 -1.70 0.01 -1.26 -4.97 113.70 103.02 1ija s SER 51 Ca 0.64 -1.26 0.04 0.00 1.31 0.00 0.00 55.95 56.68 1ija s SER 51 Cb -0.20 0.56 0.17 0.00 0.21 0.00 0.00 66.02 66.76 1ija s SER 51 CO 0.58 -1.11 0.87 0.18 0.41 0.00 0.00 173.24 174.17 1ija n LEU 52 N -0.42 1.74 0.00 2.44 4.32 -1.26 -3.41 117.00 120.40 1ija n LEU 52 Ca 0.01 -0.88 0.00 0.00 -0.02 0.00 0.00 56.01 55.12 1ija n LEU 52 Cb 0.63 -0.42 0.00 0.00 -1.62 0.00 0.00 43.42 42.01 1ija n LEU 52 CO 0.28 0.30 0.04 0.47 -1.22 0.00 0.00 177.39 177.26 1ija n ASP 53 N 0.10 0.00 -4.68 -1.43 9.92 -1.26 -5.07 116.55 114.12 1ija n ASP 53 Ca 0.06 -1.00 -0.45 0.00 -0.53 0.00 0.00 54.79 52.87 1ija n ASP 53 Cb 0.37 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.82 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 0.00 3.59 0.33 -2.24 -0.08 -1.22 -4.73 116.55 112.20 1ija n ASP 54 Ca 0.00 1.03 0.03 0.00 -1.51 0.00 0.00 54.79 54.33 1ija n ASP 54 Cb 0.31 -1.47 0.14 0.00 2.34 0.00 0.00 41.12 42.44 1ija n ASP 54 CO 0.00 0.00 0.00 0.06 0.12 0.00 0.00 177.20 177.38 1ija h GLN 55 N 7.55 0.00 -2.61 -0.67 3.07 -1.95 -3.19 115.11 117.32 1ija h GLN 55 Ca -0.46 0.00 -0.42 0.00 0.09 0.00 0.00 58.65 57.87 1ija h GLN 55 Cb 1.24 0.00 -0.37 0.00 0.08 0.00 0.00 27.48 28.43 1ija h GLN 55 CO 0.93 0.00 -0.70 1.21 0.09 0.00 0.00 178.83 180.36 1ija s ASN 56 N -3.24 2.34 -0.27 0.06 3.84 -1.26 -1.50 114.94 114.91 1ija s ASN 56 Ca -0.01 -0.78 -0.15 0.00 0.21 0.00 0.00 52.86 52.13 1ija s ASN 56 Cb 0.02 0.06 -0.03 0.00 -0.55 0.00 0.00 41.25 40.74 1ija s ASN 56 CO 0.05 -0.38 0.40 -0.63 -2.79 0.00 0.00 177.10 173.75 1ija s ILE 57 N 2.23 5.15 -0.22 -5.21 1.01 -1.01 -4.93 121.20 118.23 1ija s ILE 57 Ca 0.07 0.63 -0.06 0.00 0.00 0.00 0.00 60.65 61.29 1ija s ILE 57 Cb -0.15 -3.73 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 1ija s ILE 57 CO -0.25 0.14 0.02 -0.94 0.00 0.00 0.00 174.94 173.90 1ija s SER 58 N 1.62 4.88 0.29 3.58 1.04 -1.26 -1.08 113.70 122.77 1ija s SER 58 Ca 0.16 -0.22 0.09 0.00 0.48 0.00 0.00 55.95 56.47 1ija s SER 58 Cb -0.16 -1.85 -0.04 0.00 0.10 0.00 0.00 66.02 64.07 1ija s SER 58 CO 0.10 0.03 0.04 -0.63 0.98 0.00 0.00 173.24 173.76 1ija s ILE 59 N 1.22 3.36 -0.05 -1.02 1.01 -0.77 0.20 121.20 125.14 1ija s ILE 59 Ca 0.04 -1.84 -0.00 0.00 0.00 0.00 0.00 60.65 58.84 1ija s ILE 59 Cb -0.15 -2.90 0.03 0.00 0.01 0.00 0.00 42.46 39.45 1ija s ILE 59 CO 0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 174.94 174.62 1ija s ALA 60 N -2.35 0.61 0.07 9.38 0.00 -0.79 -1.59 121.76 127.08 1ija s ALA 60 Ca 0.33 -0.04 0.03 0.00 0.00 0.00 0.00 51.96 52.28 1ija s ALA 60 Cb -0.05 -0.54 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 1ija s ALA 60 CO 0.21 -0.22 -0.09 0.20 0.00 0.00 0.00 175.76 175.86 1ija s GLY 61 N 1.40 0.67 0.86 0.00 0.00 -0.89 -3.05 107.32 106.30 1ija s GLY 61 Ca -0.04 -1.00 -0.12 0.00 0.00 0.00 0.00 44.72 43.56 1ija s GLY 61 CO -0.03 -1.07 1.12 0.30 0.00 0.00 0.00 173.10 173.43 1ija s HIS 62 N -2.09 2.65 -0.41 1.90 3.76 -1.26 -0.81 115.29 119.02 1ija s HIS 62 Ca -0.01 0.98 0.05 0.00 -0.15 0.00 0.00 55.06 55.93 1ija s HIS 62 Cb -0.05 -3.28 0.17 0.00 1.11 0.00 0.00 32.58 30.53 1ija s HIS 62 CO -0.01 -2.12 0.51 -0.08 -0.85 0.00 0.00 174.74 172.20 1ija s THR 63 N -3.23 -0.59 -0.31 1.30 -1.32 -1.26 0.31 115.64 110.55 1ija s THR 63 Ca 0.62 -0.85 -0.23 0.00 -1.21 0.00 0.00 61.69 60.03 1ija s THR 63 Cb -0.15 -0.40 -0.00 0.00 -1.51 0.00 0.00 72.50 70.45 1ija s THR 63 CO 0.54 -0.37 0.76 -0.36 -2.21 0.00 0.00 174.62 172.98 1ija s PHE 64 N 1.32 3.20 0.53 9.09 0.08 -1.26 -4.78 117.98 126.16 1ija s PHE 64 Ca 0.20 0.77 0.19 0.00 0.12 0.00 0.00 56.93 58.21 1ija s PHE 64 Cb -0.07 -3.19 1.37 0.00 -0.57 0.00 0.00 43.02 40.56 1ija s PHE 64 CO -0.06 -0.56 2.17 0.82 -0.10 0.00 0.00 175.22 177.49 1ija h ILE 65 N 5.59 0.91 -0.16 0.64 2.04 -1.99 0.13 117.51 124.67 1ija h ILE 65 Ca -0.25 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1ija h ILE 65 Cb 1.10 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 1ija h ILE 65 CO 0.87 0.00 0.00 -0.67 0.00 0.00 0.00 178.15 178.35 1ija n ASP 66 N -4.41 2.20 -2.97 1.72 2.03 -1.26 -4.21 116.55 109.66 1ija n ASP 66 Ca -0.03 -2.24 -0.16 0.00 0.52 0.00 0.00 54.79 52.89 1ija n ASP 66 Cb 0.10 -0.53 -0.01 0.00 -0.72 0.00 0.00 41.12 39.97 1ija n ASP 66 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1ija n ARG 67 N 0.16 0.74 0.00 -0.67 3.00 0.03 -4.99 116.66 114.94 1ija n ARG 67 Ca 0.07 -2.47 0.00 0.00 -0.00 0.00 0.00 57.85 55.45 1ija n ARG 67 Cb 0.49 -1.34 0.00 0.00 0.00 0.00 0.00 32.46 31.60 1ija n ARG 67 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1ija n PRO 68 N 1.53 0.00 -2.99 -0.14 -0.02 -1.26 -2.88 135.00 129.25 1ija n PRO 68 Ca 0.15 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.48 1ija n PRO 68 Cb 0.58 -0.88 0.01 0.00 -0.02 0.00 0.00 33.50 33.20 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 0.26 -0.73 0.00 2.55 3.02 -1.26 -4.68 115.26 114.42 1ija n ASN 69 Ca 0.00 -3.24 0.00 0.00 -0.03 0.00 0.00 54.58 51.31 1ija n ASN 69 Cb 0.00 0.51 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 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 0.59 0.00 0.00 3.10 9.36 -1.14 -5.07 117.16 124.01 1ija n TYR 70 Ca 0.16 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.38 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 -0.45 2.98 6.02 -1.26 -4.30 117.38 120.37 1ija n GLN 71 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.07 1ija n GLN 71 Cb 0.00 -0.46 0.27 0.00 1.02 0.00 0.00 30.24 31.08 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 -0.02 1.10 -0.00 1.08 -0.00 0.91 -4.46 117.46 116.06 1ija n PHE 72 Ca 0.00 -0.45 -0.12 0.00 -0.00 0.00 0.00 57.45 56.88 1ija n PHE 72 Cb 0.00 -0.17 -0.08 0.00 -0.00 0.00 0.00 39.48 39.23 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 3.19 1.21 0.00 -2.13 2.02 -1.68 -3.18 112.91 112.34 1ija h THR 73 Ca 0.00 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.55 1ija h THR 73 Cb 1.11 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 69.09 1ija h THR 73 CO 0.15 0.17 -0.30 0.78 0.37 0.00 0.00 175.52 176.70 1ija h ASN 74 N -0.19 0.00 -0.49 4.18 4.21 -1.82 -3.29 115.58 118.19 1ija h ASN 74 Ca 0.01 -0.01 0.14 0.00 1.21 0.00 0.00 56.30 57.65 1ija h ASN 74 Cb 0.27 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.45 1ija h ASN 74 CO 0.00 0.01 0.42 0.25 -1.29 0.00 0.00 177.43 176.81 1ija h LEU 75 N 0.00 0.00 -1.47 1.61 7.12 -1.79 1.18 115.31 121.96 1ija h LEU 75 Ca 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 57.88 57.95 1ija h LEU 75 Cb 0.96 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.08 1ija h LEU 75 CO 0.00 0.00 -0.26 0.11 -0.13 0.00 0.00 178.44 178.16 1ija h LYS 76 N 0.00 0.00 0.00 1.25 1.57 -1.69 -0.92 116.57 116.78 1ija h LYS 76 Ca 0.23 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.94 1ija h LYS 76 Cb 1.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 1ija h LYS 76 CO -0.00 0.26 -0.34 0.00 -0.57 0.00 0.00 179.45 178.80 1ija h ALA 77 N 1.74 1.04 -1.90 3.86 0.00 0.12 -3.44 119.26 120.67 1ija h ALA 77 Ca -0.00 -0.31 -0.44 0.00 0.00 0.00 0.00 54.91 54.16 1ija h ALA 77 Cb 0.54 -0.05 0.23 0.00 0.00 0.00 0.00 17.79 18.50 1ija h ALA 77 CO 0.03 0.43 -0.53 0.00 0.00 0.00 0.00 179.25 179.19 1ija n ALA 78 N -2.30 -3.64 -2.98 0.00 0.00 -0.35 -4.94 120.51 106.30 1ija n ALA 78 Ca -0.00 -1.29 -0.09 0.00 0.00 0.00 0.00 53.44 52.05 1ija n ALA 78 Cb 0.48 -1.75 -0.06 0.00 0.00 0.00 0.00 19.45 18.12 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 -3.95 1.39 0.62 0.00 1.02 -1.26 -5.07 119.74 112.49 1ija s LYS 79 Ca 0.63 -1.21 -0.18 0.00 0.02 0.00 0.00 55.97 55.23 1ija s LYS 79 Cb -0.19 0.43 -0.06 0.00 -0.52 0.00 0.00 37.83 37.49 1ija s LYS 79 CO 0.66 -0.55 0.65 1.17 -0.92 0.00 0.00 175.35 176.35 1ija n LYS 80 N -0.32 0.55 0.00 1.68 4.81 -1.26 -1.02 118.16 122.59 1ija n LYS 80 Ca -0.04 0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 1ija n LYS 80 Cb 0.63 -1.86 0.00 0.00 0.02 0.00 0.00 35.03 33.81 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 1.61 2.84 3.59 3.14 0.00 -1.04 -4.95 105.19 110.38 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 -1.35 0.00 0.00 0.00 173.32 171.97 1ija s SER 82 N -2.33 5.47 0.73 1.61 1.04 -0.19 -4.49 113.70 115.54 1ija s SER 82 Ca 0.00 1.48 -0.11 0.00 0.48 0.00 0.00 55.95 57.80 1ija s SER 82 Cb 0.00 -2.52 0.04 0.00 0.10 0.00 0.00 66.02 63.64 1ija s SER 82 CO 0.00 -2.02 1.11 0.00 0.98 0.00 0.00 173.24 173.31 1ija s MET 83 N 6.39 2.56 0.29 4.02 0.23 -1.26 -3.03 119.30 128.50 1ija s MET 83 Ca 0.91 0.29 0.02 0.00 -1.03 0.00 0.00 55.69 55.88 1ija s MET 83 Cb -0.26 -2.02 -0.03 0.00 -1.53 0.00 0.00 34.83 30.99 1ija s MET 83 CO 0.32 -1.20 0.28 0.14 -2.03 0.00 0.00 175.02 172.54 1ija s VAL 84 N -3.40 0.00 -0.17 5.16 -7.23 -1.16 -4.74 120.40 108.86 1ija s VAL 84 Ca 0.59 -1.89 -0.04 0.00 -1.81 0.00 0.00 61.98 58.83 1ija s VAL 84 Cb -0.11 -2.51 0.07 0.00 0.56 0.00 0.00 36.38 34.39 1ija s VAL 84 CO 0.50 0.00 0.15 -0.31 -0.31 0.00 0.00 175.10 175.13 1ija s TYR 85 N -3.62 -0.05 -0.33 2.82 1.51 -0.89 -2.80 117.35 113.98 1ija s TYR 85 Ca 0.37 0.03 -0.17 0.00 -1.01 0.00 0.00 57.07 56.29 1ija s TYR 85 Cb 0.03 -0.50 -0.01 0.00 -0.11 0.00 0.00 41.96 41.37 1ija s TYR 85 CO 0.21 -0.51 0.48 0.12 -1.11 0.00 0.00 175.55 174.73 1ija s PHE 86 N 2.24 3.20 0.15 2.71 5.36 -1.04 -2.22 117.98 128.38 1ija s PHE 86 Ca 0.04 0.21 -0.22 0.00 -0.96 0.00 0.00 56.93 56.00 1ija s PHE 86 Cb -0.15 -2.83 -0.08 0.00 -0.34 0.00 0.00 43.02 39.62 1ija s PHE 86 CO -0.10 -0.47 0.71 0.21 -1.46 0.00 0.00 175.22 174.11 1ija s LYS 87 N 2.29 4.39 -0.11 10.12 2.20 0.49 -2.08 119.74 137.04 1ija s LYS 87 Ca 0.17 0.97 -0.05 0.00 -0.36 0.00 0.00 55.97 56.70 1ija s LYS 87 Cb -0.16 -3.16 0.05 0.00 -1.51 0.00 0.00 37.83 33.05 1ija s LYS 87 CO 0.12 0.55 0.25 0.14 -0.36 0.00 0.00 175.35 176.05 1ija s VAL 88 N -1.23 -0.12 0.00 4.02 -7.23 -0.07 -2.42 120.40 113.34 1ija s VAL 88 Ca 0.36 0.18 0.00 0.00 -1.81 0.00 0.00 61.98 60.71 1ija s VAL 88 Cb -0.21 -0.40 0.00 0.00 0.56 0.00 0.00 36.38 36.34 1ija s VAL 88 CO 0.23 0.07 0.00 0.61 -0.31 0.00 0.00 175.10 175.70 1ija n GLY 89 N 4.49 2.37 2.69 2.32 0.00 -1.26 -1.10 105.19 114.69 1ija n GLY 89 Ca -0.21 0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 5.27 5.17 -3.54 1.61 4.13 -1.26 -5.01 115.26 121.64 1ija n ASN 90 Ca 0.00 -3.72 -0.11 0.00 1.68 0.00 0.00 54.58 52.43 1ija n ASN 90 Cb 0.00 -0.62 -0.04 0.00 -1.54 0.00 0.00 39.78 37.58 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 -3.64 0.75 -0.08 3.52 2.12 -0.26 -5.16 118.70 115.94 1ija s GLU 91 Ca 0.48 0.01 0.01 0.00 0.36 0.00 0.00 54.97 55.82 1ija s GLU 91 Cb 0.35 0.35 0.02 0.00 0.26 0.00 0.00 34.13 35.11 1ija s GLU 91 CO -0.20 -0.27 -0.07 -0.08 -0.54 0.00 0.00 175.26 174.10 1ija s THR 92 N -1.81 0.87 0.55 -1.70 -1.32 -1.26 -0.89 115.64 110.08 1ija s THR 92 Ca -0.01 -0.25 0.06 0.00 -1.21 0.00 0.00 61.69 60.28 1ija s THR 92 Cb -0.01 -0.88 0.06 0.00 -1.51 0.00 0.00 72.50 70.17 1ija s THR 92 CO -0.01 0.32 0.76 0.00 -2.21 0.00 0.00 174.62 173.48 1ija s ARG 93 N 1.27 2.39 0.04 7.08 3.03 -0.88 -4.93 118.95 126.95 1ija s ARG 93 Ca -0.04 -1.28 -0.04 0.00 2.03 0.00 0.00 55.73 56.39 1ija s ARG 93 Cb -0.14 -2.60 -0.02 0.00 -1.03 0.00 0.00 34.95 31.17 1ija s ARG 93 CO -0.03 -0.76 0.07 -1.59 -1.13 0.00 0.00 175.30 171.86 1ija s LYS 94 N -4.67 0.56 0.33 3.89 -2.85 -1.26 -2.48 119.74 113.25 1ija s LYS 94 Ca 0.60 -0.78 0.06 0.00 -1.00 0.00 0.00 55.97 54.84 1ija s LYS 94 Cb -0.08 0.21 -0.03 0.00 -2.06 0.00 0.00 37.83 35.88 1ija s LYS 94 CO 0.38 -0.13 0.23 0.71 0.10 0.00 0.00 175.35 176.64 1ija s TYR 95 N -2.61 1.69 -0.17 1.78 1.51 -1.12 -4.49 117.35 113.94 1ija s TYR 95 Ca -0.05 -1.56 -0.05 0.00 -1.01 0.00 0.00 57.07 54.40 1ija s TYR 95 Cb -0.01 -0.77 0.06 0.00 -0.11 0.00 0.00 41.96 41.12 1ija s TYR 95 CO -0.05 -0.74 0.09 0.21 -1.11 0.00 0.00 175.55 173.96 1ija s LYS 96 N -3.59 0.06 0.19 -0.62 2.20 -1.12 -2.99 119.74 113.87 1ija s LYS 96 Ca 0.38 -0.05 -0.32 0.00 -0.36 0.00 0.00 55.97 55.62 1ija s LYS 96 Cb 0.03 -1.74 -0.15 0.00 -1.51 0.00 0.00 37.83 34.45 1ija s LYS 96 CO 0.23 -0.65 1.17 -1.33 -0.36 0.00 0.00 175.35 174.41 1ija n MET 97 N 5.28 1.27 -0.44 4.03 2.81 -1.17 -3.11 117.12 125.80 1ija n MET 97 Ca -0.07 0.45 0.00 0.00 -1.81 0.00 0.00 57.70 56.28 1ija n MET 97 Cb 0.49 -1.95 0.00 0.00 -0.71 0.00 0.00 33.22 31.05 1ija n MET 97 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1ija n THR 98 N 1.37 0.00 -2.87 2.03 -2.24 -1.20 -2.48 114.28 108.89 1ija n THR 98 Ca 0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1ija n THR 98 Cb 0.26 0.19 0.01 0.00 -2.10 0.00 0.00 70.33 68.69 1ija n THR 98 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ija s SER 99 N -0.30 -0.75 0.14 3.42 0.15 -1.15 -5.02 113.70 110.18 1ija s SER 99 Ca 0.00 -0.51 -0.29 0.00 0.70 0.00 0.00 55.95 55.86 1ija s SER 99 Cb 0.00 0.96 -0.07 0.00 -1.71 0.00 0.00 66.02 65.20 1ija s SER 99 CO 0.00 -0.07 0.90 -0.63 1.20 0.00 0.00 173.24 174.64 1ija s ILE 100 N 1.67 4.42 0.00 6.45 -1.09 -1.26 -2.62 121.20 128.77 1ija s ILE 100 Ca 0.18 1.95 0.00 0.00 -2.23 0.00 0.00 60.65 60.55 1ija s ILE 100 Cb 0.02 -4.27 0.00 0.00 -1.58 0.00 0.00 42.46 36.64 1ija s ILE 100 CO -0.11 0.39 0.04 0.54 -1.23 0.00 0.00 174.94 174.58 1ija n ARG 101 N 2.34 4.71 0.22 2.79 3.00 -1.07 -4.71 116.66 123.93 1ija n ARG 101 Ca -0.00 -0.04 0.03 0.00 -0.01 0.00 0.00 57.85 57.82 1ija n ARG 101 Cb 0.49 -0.44 0.15 0.00 0.00 0.00 0.00 32.46 32.65 1ija n ARG 101 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.63 178.01 1ija h ASP 102 N 0.00 0.00 0.00 0.55 3.04 0.11 -3.27 116.42 116.84 1ija h ASP 102 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1ija h ASP 102 Cb 0.01 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.30 1ija h ASP 102 CO 0.00 0.00 0.00 0.52 -2.04 0.00 0.00 179.24 177.72 1ija n VAL 103 N -2.09 0.00 -2.27 4.15 0.31 -1.26 -4.64 118.33 112.53 1ija n VAL 103 Ca -0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.91 1ija n VAL 103 Cb 0.69 -0.38 -0.03 0.00 -0.91 0.00 0.00 33.84 33.21 1ija n VAL 103 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1ija s LYS 104 N 0.00 4.43 0.24 5.55 -2.85 -1.23 -4.91 119.74 120.97 1ija s LYS 104 Ca 0.00 2.00 0.02 0.00 -1.00 0.00 0.00 55.97 56.98 1ija s LYS 104 Cb 0.00 -3.20 0.27 0.00 -2.06 0.00 0.00 37.83 32.84 1ija s LYS 104 CO 0.00 -0.17 1.59 -1.00 0.10 0.00 0.00 175.35 175.88 1ija h PRO 105 N 5.07 0.39 -5.59 1.78 0.13 -1.82 -3.38 132.00 128.58 1ija h PRO 105 Ca -0.45 -0.22 -0.64 0.00 -0.87 0.00 0.00 66.00 63.82 1ija h PRO 105 Cb 1.21 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.22 1ija h PRO 105 CO 0.75 0.80 1.11 0.95 -0.23 0.00 0.00 178.00 181.37 1ija s THR 106 N -4.04 4.30 0.11 1.56 -4.23 -1.26 -4.84 115.64 107.24 1ija s THR 106 Ca -0.06 -1.03 0.02 0.00 -1.18 0.00 0.00 61.69 59.44 1ija s THR 106 Cb 0.12 -4.90 -0.04 0.00 1.34 0.00 0.00 72.50 69.02 1ija s THR 106 CO 0.81 -1.71 -0.06 1.51 -0.54 0.00 0.00 174.62 174.63 1ija s ASP 107 N 4.22 1.20 0.00 3.99 1.47 -1.26 -5.00 116.67 121.28 1ija s ASP 107 Ca 0.38 -1.02 -0.02 0.00 1.18 0.00 0.00 52.55 53.07 1ija s ASP 107 Cb -0.04 0.09 -0.07 0.00 -0.34 0.00 0.00 42.92 42.56 1ija s ASP 107 CO -0.07 -0.46 1.39 1.33 0.68 0.00 0.00 175.17 178.04 1ija n VAL 108 N -0.07 1.03 -2.56 2.11 0.24 -1.26 -2.99 118.33 114.83 1ija n VAL 108 Ca -0.12 -0.45 -0.02 0.00 -2.04 0.00 0.00 64.34 61.71 1ija n VAL 108 Cb 0.61 -1.52 0.09 0.00 -1.47 0.00 0.00 33.84 31.55 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 2.47 1.61 0.21 7.63 0.00 -1.26 -4.78 105.19 111.07 1ija n GLY 109 Ca 0.11 -0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.05 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 3.79 1.10 0.00 1.61 2.07 -1.86 -3.37 116.25 119.59 1ija h VAL 110 Ca -0.43 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.13 1ija h VAL 110 Cb 1.28 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 1ija h VAL 110 CO -0.19 0.27 -0.00 0.18 0.02 0.00 0.00 177.57 177.85 1ija n LEU 111 N -4.08 0.00 -4.15 2.57 4.77 -1.26 -5.03 117.00 109.82 1ija n LEU 111 Ca -0.02 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.62 1ija n LEU 111 Cb 0.33 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.40 1ija n LEU 111 CO 0.37 0.00 -0.05 -0.67 -1.33 0.00 0.00 177.39 175.70 1ija n ASP 112 N -0.84 -2.92 -0.07 -1.43 -0.08 -1.26 -4.77 116.55 105.19 1ija n ASP 112 Ca 0.00 -0.99 0.03 0.00 -1.51 0.00 0.00 54.79 52.32 1ija n ASP 112 Cb 0.00 -2.92 -0.02 0.00 2.34 0.00 0.00 41.12 40.52 1ija n ASP 112 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1ija n GLU 113 N -4.42 3.77 0.00 -0.67 2.13 -1.26 -4.39 120.64 115.80 1ija n GLU 113 Ca 0.00 -0.22 0.09 0.00 0.66 0.00 0.00 57.16 57.69 1ija n GLU 113 Cb 0.53 -0.87 -0.09 0.00 0.27 0.00 0.00 31.44 31.28 1ija n GLU 113 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1ija n GLN 114 N -0.77 1.12 0.00 5.31 3.00 -1.26 -4.91 117.38 119.87 1ija n GLN 114 Ca 0.02 -0.14 0.00 0.00 -0.01 0.00 0.00 57.00 56.87 1ija n GLN 114 Cb 0.11 -1.35 0.00 0.00 0.00 0.00 0.00 30.24 29.00 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 -1.22 1.53 -2.70 -1.09 4.76 -1.26 -5.02 118.16 113.17 1ija n LYS 115 Ca 0.04 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.45 1ija n LYS 115 Cb 0.30 0.00 0.11 0.00 -1.84 0.00 0.00 35.03 33.60 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 1.17 1.85 0.00 0.72 0.00 -1.26 -5.10 105.19 102.57 1ija n GLY 116 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1ija n GLY 116 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ija n LYS 117 N -1.18 0.00 -4.52 1.61 2.85 -1.26 -5.12 118.16 110.54 1ija n LYS 117 Ca -0.11 0.00 -0.27 0.00 -1.05 0.00 0.00 58.31 56.88 1ija n LYS 117 Cb 0.86 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 35.14 1ija n LYS 117 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1ija s ASP 118 N -1.00 3.98 0.49 -5.58 1.11 -1.26 -5.08 116.67 109.33 1ija s ASP 118 Ca 0.00 -1.30 -0.17 0.00 0.18 0.00 0.00 52.55 51.26 1ija s ASP 118 Cb 0.00 -0.41 -0.14 0.00 1.07 0.00 0.00 42.92 43.44 1ija s ASP 118 CO 0.00 -0.46 -0.15 0.29 1.18 0.00 0.00 175.17 176.03 1ija n LYS 119 N -1.01 0.00 -3.61 8.23 5.02 -1.26 -4.81 118.16 120.71 1ija n LYS 119 Ca -0.04 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.13 1ija n LYS 119 Cb 0.66 -0.93 -0.05 0.00 -0.02 0.00 0.00 35.03 34.70 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 -0.98 1.04 -0.28 1.97 -2.07 -0.56 -3.10 119.66 115.67 1ija s GLN 120 Ca 0.52 -0.49 0.03 0.00 -1.82 0.00 0.00 55.36 53.60 1ija s GLN 120 Cb -0.44 0.46 0.07 0.00 -1.09 0.00 0.00 33.01 32.01 1ija s GLN 120 CO 0.62 -0.39 -0.04 -1.17 -1.32 0.00 0.00 175.29 172.99 1ija s LEU 121 N -2.39 3.56 -0.14 2.60 2.96 -1.16 -2.40 118.68 121.71 1ija s LEU 121 Ca -0.01 -1.57 -0.19 0.00 -0.22 0.00 0.00 54.13 52.13 1ija s LEU 121 Cb 0.00 -1.46 -0.04 0.00 0.50 0.00 0.00 46.19 45.20 1ija s LEU 121 CO -0.07 -0.26 0.52 -0.89 -1.32 0.00 0.00 176.35 174.32 1ija s THR 122 N 1.13 5.14 -0.01 3.68 2.01 -0.24 -2.54 115.64 124.81 1ija s THR 122 Ca -0.02 1.01 -0.01 0.00 0.31 0.00 0.00 61.69 62.98 1ija s THR 122 Cb -0.19 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 1ija s THR 122 CO -0.07 0.27 0.10 -0.76 -0.69 0.00 0.00 174.62 173.47 1ija s LEU 123 N 0.99 4.00 -0.03 4.42 1.02 0.14 -1.85 118.68 127.36 1ija s LEU 123 Ca 0.27 0.20 -0.03 0.00 0.02 0.00 0.00 54.13 54.58 1ija s LEU 123 Cb -0.15 -2.32 0.01 0.00 0.02 0.00 0.00 46.19 43.74 1ija s LEU 123 CO 0.11 0.28 0.09 -0.63 0.02 0.00 0.00 176.35 176.22 1ija s ILE 124 N -1.21 -0.00 0.43 -0.59 1.01 -0.62 -2.95 121.20 117.26 1ija s ILE 124 Ca 0.23 0.00 0.03 0.00 0.00 0.00 0.00 60.65 60.92 1ija s ILE 124 Cb -0.12 -0.14 0.00 0.00 0.01 0.00 0.00 42.46 42.21 1ija s ILE 124 CO 0.14 0.00 0.61 0.42 0.00 0.00 0.00 174.94 176.12 1ija s THR 125 N 0.05 3.72 -0.28 2.92 -4.23 -1.15 -2.09 115.64 114.58 1ija s THR 125 Ca -0.00 -0.73 -0.00 0.00 -1.18 0.00 0.00 61.69 59.78 1ija s THR 125 Cb -0.01 -3.34 0.14 0.00 1.34 0.00 0.00 72.50 70.64 1ija s THR 125 CO 0.00 -0.19 0.35 0.00 -0.54 0.00 0.00 174.62 174.24 1ija s ASP 127 N 2.47 -0.51 -1.07 0.00 -4.77 -1.26 -3.98 116.67 107.55 1ija s ASP 127 Ca 0.10 0.61 -0.04 0.00 -3.30 0.00 0.00 52.55 49.92 1ija s ASP 127 Cb -0.14 0.60 -0.05 0.00 -1.09 0.00 0.00 42.92 42.24 1ija s ASP 127 CO -0.27 -0.48 0.92 0.47 0.70 0.00 0.00 175.17 176.51 1ija n ASP 128 N 1.39 -5.13 -4.65 2.11 8.00 -1.26 -4.25 116.55 112.76 1ija n ASP 128 Ca -0.19 -0.67 -0.42 0.00 0.71 0.00 0.00 54.79 54.23 1ija n ASP 128 Cb 0.56 -5.08 -0.03 0.00 -0.02 0.00 0.00 41.12 36.56 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 -3.37 1.45 -0.03 1.24 6.14 -1.26 -2.87 117.35 118.65 1ija s TYR 129 Ca 0.31 -0.20 -0.26 0.00 0.64 0.00 0.00 57.07 57.55 1ija s TYR 129 Cb -0.04 -4.14 -0.04 0.00 0.42 0.00 0.00 41.96 38.16 1ija s TYR 129 CO 0.72 -4.99 0.81 0.54 0.64 0.00 0.00 175.55 173.27 1ija s ASN 130 N 4.51 7.16 0.00 4.32 4.22 -0.56 -4.82 114.94 129.77 1ija s ASN 130 Ca 0.86 1.40 0.18 0.00 -2.14 0.00 0.00 52.86 53.16 1ija s ASN 130 Cb -0.39 -2.48 0.68 0.00 1.28 0.00 0.00 41.25 40.34 1ija s ASN 130 CO 0.38 -0.15 1.49 -1.84 -2.04 0.00 0.00 177.10 174.94 1ija n GLU 131 N 3.68 1.68 0.17 3.55 0.28 -1.26 -2.63 120.64 126.11 1ija n GLU 131 Ca 0.01 -1.03 -0.08 0.00 -0.16 0.00 0.00 57.16 55.91 1ija n GLU 131 Cb 0.51 -1.36 -0.04 0.00 1.43 0.00 0.00 31.44 31.99 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 1.98 -0.47 -0.03 3.44 1.79 -1.92 -3.34 116.57 118.01 1ija h LYS 132 Ca 0.00 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1ija h LYS 132 Cb 0.44 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 1ija h LYS 132 CO 0.00 -0.32 -0.14 0.25 -1.08 0.00 0.00 179.45 178.17 1ija n THR 133 N -4.71 0.00 -2.74 -0.16 -2.24 -1.26 -4.97 114.28 98.21 1ija n THR 133 Ca -0.06 -0.43 -0.09 0.00 -2.27 0.00 0.00 64.05 61.20 1ija n THR 133 Cb 0.19 1.42 0.05 0.00 -2.10 0.00 0.00 70.33 69.89 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 1.34 0.04 3.39 3.38 0.00 -1.11 -5.04 105.19 107.18 1ija n GLY 134 Ca 0.12 -0.19 -0.10 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 0.03 -0.31 1.61 1.01 -1.08 -5.02 120.40 113.45 1ija s VAL 135 Ca 0.01 -1.56 -0.29 0.00 0.00 0.00 0.00 61.98 60.13 1ija s VAL 135 Cb -0.00 -2.15 -0.00 0.00 0.00 0.00 0.00 36.38 34.23 1ija s VAL 135 CO 0.37 -0.12 1.42 0.26 0.00 0.00 0.00 175.10 177.04 1ija s TRP 136 N -4.04 2.44 0.00 5.22 0.52 -1.26 -1.49 118.94 120.33 1ija s TRP 136 Ca 0.25 0.73 0.00 0.00 0.02 0.00 0.00 56.10 57.10 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 0.06 -2.12 0.62 -1.91 0.02 0.00 0.00 176.95 173.62 1ija n GLU 137 N 7.62 0.00 -3.02 4.98 0.00 -1.14 -4.40 120.64 124.68 1ija n GLU 137 Ca 0.16 0.62 -0.32 0.00 0.00 0.00 0.00 57.16 57.62 1ija n GLU 137 Cb 0.47 -1.12 -0.06 0.00 0.00 0.00 0.00 31.44 30.72 1ija n GLU 137 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1ija s LYS 138 N -1.49 4.03 -0.47 5.31 1.02 -1.26 -5.01 119.74 121.87 1ija s LYS 138 Ca 0.00 0.76 0.06 0.00 0.02 0.00 0.00 55.97 56.81 1ija s LYS 138 Cb 0.00 -2.36 0.18 0.00 -0.52 0.00 0.00 37.83 35.13 1ija s LYS 138 CO 0.00 0.09 0.56 0.54 -0.92 0.00 0.00 175.35 175.62 1ija n ARG 139 N -0.54 0.40 -2.55 1.68 1.74 -1.26 -4.62 116.66 111.51 1ija n ARG 139 Ca 0.04 -2.54 -0.35 0.00 -0.77 0.00 0.00 57.85 54.24 1ija n ARG 139 Cb 0.53 -1.55 -0.04 0.00 -1.02 0.00 0.00 32.46 30.39 1ija n ARG 139 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1ija s LYS 140 N 0.47 3.93 0.04 5.56 1.02 -1.26 -4.85 119.74 124.65 1ija s LYS 140 Ca 0.31 1.40 0.02 0.00 0.02 0.00 0.00 55.97 57.73 1ija s LYS 140 Cb 0.03 -2.24 -0.02 0.00 -0.52 0.00 0.00 37.83 35.07 1ija s LYS 140 CO -0.12 -0.33 -0.08 0.96 -0.92 0.00 0.00 175.35 174.87 1ija s ILE 141 N -1.88 0.55 -0.03 2.17 -4.36 -1.26 -2.93 121.20 113.45 1ija s ILE 141 Ca 0.64 -1.04 -0.06 0.00 -0.26 0.00 0.00 60.65 59.93 1ija s ILE 141 Cb -0.18 -0.61 0.01 0.00 1.25 0.00 0.00 42.46 42.93 1ija s ILE 141 CO 0.22 -0.35 0.13 -0.36 0.24 0.00 0.00 174.94 174.82 1ija s PHE 142 N -1.32 -0.07 0.03 1.37 0.40 -1.15 0.15 117.98 117.39 1ija s PHE 142 Ca -0.09 0.17 0.02 0.00 -0.60 0.00 0.00 56.93 56.42 1ija s PHE 142 Cb -0.10 0.01 -0.02 0.00 0.51 0.00 0.00 43.02 43.42 1ija s PHE 142 CO 0.00 -0.15 -0.06 0.54 0.70 0.00 0.00 175.22 176.25 1ija s VAL 143 N -0.49 0.43 0.34 -0.44 0.11 -1.08 0.23 120.40 119.51 1ija s VAL 143 Ca -0.06 -0.97 0.03 0.00 -2.93 0.00 0.00 61.98 58.06 1ija s VAL 143 Cb -0.04 -0.51 -0.01 0.00 -1.53 0.00 0.00 36.38 34.29 1ija s VAL 143 CO 0.01 -0.36 0.13 0.00 -3.33 0.00 0.00 175.10 171.54 1ija n ALA 144 N 1.62 0.49 -3.19 1.54 0.00 -1.05 -2.95 120.51 116.96 1ija n ALA 144 Ca -0.22 -1.75 -0.13 0.00 0.00 0.00 0.00 53.44 51.35 1ija n ALA 144 Cb 0.55 1.18 -0.09 0.00 0.00 0.00 0.00 19.45 21.09 1ija n ALA 144 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1ija s THR 145 N -2.85 0.06 0.41 0.00 -1.32 -1.18 -2.97 115.64 107.79 1ija s THR 145 Ca 0.18 -0.46 -0.24 0.00 -1.21 0.00 0.00 61.69 59.96 1ija s THR 145 Cb 0.01 -0.54 -0.11 0.00 -1.51 0.00 0.00 72.50 70.35 1ija s THR 145 CO 0.13 -0.26 0.91 1.21 -2.21 0.00 0.00 174.62 174.40 1ija n GLU 146 N 1.56 1.15 0.00 7.08 2.13 -1.18 -2.81 120.64 128.56 1ija n GLU 146 Ca -0.21 0.41 0.00 0.00 0.66 0.00 0.00 57.16 58.03 1ija n GLU 146 Cb 0.56 -1.91 0.00 0.00 0.27 0.00 0.00 31.44 30.37 1ija n GLU 146 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1ija n VAL 147 N -0.56 0.00 1.24 6.31 0.31 -1.26 -4.86 118.33 119.51 1ija n VAL 147 Ca 0.10 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.56 1ija n VAL 147 Cb 0.39 -0.45 0.30 0.00 -0.91 0.00 0.00 33.84 33.17 1ija n VAL 147 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80