#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 0.31 -1.52 2.12 -0.00 -1.26 -4.93 117.38 112.10 1ija n GLN 2 Ca 0.00 0.16 -0.03 0.00 -0.00 0.00 0.00 57.00 57.13 1ija n GLN 2 Cb 0.00 -2.07 0.02 0.00 -0.00 0.00 0.00 30.24 28.19 1ija n GLN 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ija n ALA 3 N -2.68 1.20 -1.38 2.61 0.00 -1.26 -5.10 120.51 113.91 1ija n ALA 3 Ca 0.11 -0.50 -0.52 0.00 0.00 0.00 0.00 53.44 52.54 1ija n ALA 3 Cb 0.50 -0.50 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.48 0.47 -0.36 0.00 4.01 -1.26 -4.88 118.16 115.67 1ija n LYS 4 Ca -0.13 0.11 -0.08 0.00 -0.51 0.00 0.00 58.31 57.70 1ija n LYS 4 Cb 0.62 -1.98 0.07 0.00 -0.51 0.00 0.00 35.03 33.23 1ija n LYS 4 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 1ija n PRO 5 N 8.02 -0.24 -2.46 1.97 -0.02 -1.26 -4.74 135.00 136.26 1ija n PRO 5 Ca 0.50 -0.36 -0.40 0.00 -2.02 0.00 0.00 63.50 61.22 1ija n PRO 5 Cb 0.11 -0.87 -0.03 0.00 -0.02 0.00 0.00 33.50 32.68 1ija n PRO 5 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1ija s GLN 6 N -2.45 3.13 -0.36 -0.52 1.11 -1.26 -4.97 119.66 114.33 1ija s GLN 6 Ca 0.17 -0.19 -0.25 0.00 0.01 0.00 0.00 55.36 55.10 1ija s GLN 6 Cb -0.03 -4.33 0.01 0.00 -1.01 0.00 0.00 33.01 27.66 1ija s GLN 6 CO 0.14 -2.27 0.90 0.42 0.01 0.00 0.00 175.29 174.49 1ija s ILE 7 N 6.26 4.62 0.08 1.08 1.01 -1.26 -4.98 121.20 128.01 1ija s ILE 7 Ca 0.41 1.16 -0.36 0.00 0.00 0.00 0.00 60.65 61.86 1ija s ILE 7 Cb -0.08 -4.30 -0.18 0.00 0.01 0.00 0.00 42.46 37.91 1ija s ILE 7 CO 0.13 -0.49 1.00 -2.65 0.00 0.00 0.00 174.94 172.93 1ija n PRO 8 N 6.67 0.30 0.13 2.79 -0.02 -1.26 -4.85 135.00 138.76 1ija n PRO 8 Ca 0.06 0.11 0.12 0.00 -2.02 0.00 0.00 63.50 61.77 1ija n PRO 8 Cb 0.48 -1.52 0.20 0.00 -0.02 0.00 0.00 33.50 32.64 1ija n PRO 8 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1ija h LYS 9 N 2.81 0.00 -6.49 -0.52 1.57 -1.95 -3.44 116.57 108.55 1ija h LYS 9 Ca -0.45 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.78 1ija h LYS 9 Cb 1.41 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.66 1ija h LYS 9 CO 0.65 0.00 1.06 -0.51 -0.57 0.00 0.00 179.45 180.08 1ija s ASP 10 N -5.15 6.26 0.00 0.86 1.11 -1.26 -4.82 116.67 113.68 1ija s ASP 10 Ca 0.06 0.37 0.00 0.00 0.18 0.00 0.00 52.55 53.17 1ija s ASP 10 Cb 0.10 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.54 1ija s ASP 10 CO 0.69 -1.58 0.73 0.29 1.18 0.00 0.00 175.17 176.48 1ija n LYS 11 N 8.45 0.00 -1.81 8.23 4.76 -1.26 -1.35 118.16 135.17 1ija n LYS 11 Ca 0.12 0.26 -0.30 0.00 -2.87 0.00 0.00 58.31 55.52 1ija n LYS 11 Cb 0.49 -1.54 0.04 0.00 -1.84 0.00 0.00 35.03 32.19 1ija n LYS 11 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1ija n SER 12 N -1.23 6.17 -3.75 4.39 3.41 -1.26 -4.79 113.62 116.55 1ija n SER 12 Ca 0.00 -3.77 -0.12 0.00 -0.26 0.00 0.00 58.87 54.72 1ija n SER 12 Cb 0.04 -0.66 -0.12 0.00 -0.26 0.00 0.00 64.21 63.20 1ija n SER 12 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1ija s LYS 13 N -3.72 0.24 0.25 4.33 2.20 -0.46 -5.13 119.74 117.45 1ija s LYS 13 Ca 0.56 0.45 -0.31 0.00 -0.36 0.00 0.00 55.97 56.31 1ija s LYS 13 Cb 0.45 -0.01 -0.11 0.00 -1.51 0.00 0.00 37.83 36.64 1ija s LYS 13 CO -0.05 -0.11 1.59 0.08 -0.36 0.00 0.00 175.35 176.51 1ija s VAL 14 N 0.79 2.21 -1.46 4.02 1.01 -1.26 -4.42 120.40 121.29 1ija s VAL 14 Ca -0.05 0.17 0.22 0.00 0.00 0.00 0.00 61.98 62.31 1ija s VAL 14 Cb -0.07 -3.11 -0.13 0.00 0.00 0.00 0.00 36.38 33.07 1ija s VAL 14 CO -0.05 0.02 0.99 0.00 0.00 0.00 0.00 175.10 176.06 1ija n ALA 15 N 2.78 4.23 0.00 5.51 0.00 -0.97 -4.92 120.51 127.15 1ija n ALA 15 Ca 0.10 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1ija n ALA 15 Cb 0.37 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 1.47 -1.20 3.05 0.00 0.00 -1.26 -4.84 105.19 102.40 1ija n GLY 16 Ca 0.06 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 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 -3.00 -0.37 -0.04 1.61 1.51 -0.76 -3.00 117.35 113.30 1ija s TYR 17 Ca 0.00 0.87 -0.10 0.00 -1.01 0.00 0.00 57.07 56.83 1ija s TYR 17 Cb 0.00 0.03 -0.05 0.00 -0.11 0.00 0.00 41.96 41.83 1ija s TYR 17 CO 0.00 -0.28 0.27 -1.50 -1.11 0.00 0.00 175.55 172.93 1ija s ILE 18 N 1.64 5.28 -0.08 2.71 2.07 -0.71 -1.14 121.20 130.97 1ija s ILE 18 Ca -0.06 0.42 -0.06 0.00 -1.41 0.00 0.00 60.65 59.54 1ija s ILE 18 Cb -0.11 -3.55 0.03 0.00 0.13 0.00 0.00 42.46 38.95 1ija s ILE 18 CO -0.09 0.53 0.19 -1.61 -1.91 0.00 0.00 174.94 172.06 1ija s GLU 19 N -1.26 0.20 -0.11 3.50 2.02 -1.00 -2.49 118.70 119.56 1ija s GLU 19 Ca 0.22 0.32 -0.05 0.00 0.02 0.00 0.00 54.97 55.48 1ija s GLU 19 Cb -0.14 0.03 0.05 0.00 0.10 0.00 0.00 34.13 34.17 1ija s GLU 19 CO 0.11 -0.07 0.25 0.42 0.02 0.00 0.00 175.26 175.99 1ija s ILE 20 N 0.44 -0.09 0.03 -1.63 1.01 -0.78 -2.09 121.20 118.09 1ija s ILE 20 Ca -0.03 0.16 -0.18 0.00 0.00 0.00 0.00 60.65 60.61 1ija s ILE 20 Cb -0.04 -0.39 -0.22 0.00 0.01 0.00 0.00 42.46 41.81 1ija s ILE 20 CO -0.02 0.07 1.15 1.55 0.00 0.00 0.00 174.94 177.69 1ija h PRO 21 N 7.33 0.52 0.00 2.79 0.13 -1.86 0.14 132.00 141.06 1ija h PRO 21 Ca -0.37 -0.53 0.00 0.00 -0.87 0.00 0.00 66.00 64.23 1ija h PRO 21 Cb 1.15 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1ija h PRO 21 CO 0.34 1.16 0.17 -3.47 -0.23 0.00 0.00 178.00 175.98 1ija n ASP 22 N -4.12 0.13 0.00 1.44 -0.08 -1.26 0.12 116.55 112.79 1ija n ASP 22 Ca -0.10 0.44 0.00 0.00 -1.51 0.00 0.00 54.79 53.62 1ija n ASP 22 Cb 0.72 -0.43 0.00 0.00 2.34 0.00 0.00 41.12 43.75 1ija n ASP 22 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ija n ALA 23 N -1.44 1.30 -2.83 -1.67 0.00 -1.14 -4.31 120.51 110.42 1ija n ALA 23 Ca -0.00 -0.54 -0.09 0.00 0.00 0.00 0.00 53.44 52.81 1ija n ALA 23 Cb 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.62 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 -0.14 -1.68 -4.87 0.00 5.75 0.12 -4.69 116.55 111.04 1ija n ASP 24 Ca 0.00 0.17 -0.33 0.00 -0.01 0.00 0.00 54.79 54.61 1ija n ASP 24 Cb 0.31 -1.53 -0.05 0.00 -1.03 0.00 0.00 41.12 38.82 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 -2.31 4.98 -0.43 2.12 1.01 -0.35 -4.94 121.20 121.27 1ija s ILE 25 Ca 0.14 0.51 0.03 0.00 0.00 0.00 0.00 60.65 61.33 1ija s ILE 25 Cb -0.08 -3.66 0.19 0.00 0.01 0.00 0.00 42.46 38.92 1ija s ILE 25 CO 0.17 0.11 0.79 -0.75 0.00 0.00 0.00 174.94 175.26 1ija s LYS 26 N -2.36 0.76 0.11 2.79 2.20 -1.25 -1.87 119.74 120.10 1ija s LYS 26 Ca 0.41 -0.55 0.02 0.00 -0.36 0.00 0.00 55.97 55.49 1ija s LYS 26 Cb -0.13 0.01 -0.04 0.00 -1.51 0.00 0.00 37.83 36.16 1ija s LYS 26 CO 0.20 -0.99 -0.08 -1.21 -0.36 0.00 0.00 175.35 172.91 1ija s GLU 27 N 1.34 0.87 0.56 4.03 0.41 -1.04 -4.99 118.70 119.88 1ija s GLU 27 Ca 0.23 -1.32 -0.09 0.00 -0.41 0.00 0.00 54.97 53.37 1ija s GLU 27 Cb 0.01 -0.32 -0.04 0.00 -1.78 0.00 0.00 34.13 32.00 1ija s GLU 27 CO -0.08 0.01 0.93 -1.25 -0.49 0.00 0.00 175.26 174.38 1ija s PRO 28 N -3.65 3.60 -0.22 0.39 0.04 -1.26 -1.74 135.00 132.16 1ija s PRO 28 Ca 0.11 0.55 0.01 0.00 0.04 0.00 0.00 61.00 61.71 1ija s PRO 28 Cb 0.03 -2.20 0.05 0.00 0.04 0.00 0.00 34.50 32.43 1ija s PRO 28 CO -0.03 -0.40 -0.07 0.08 0.04 0.00 0.00 177.00 176.62 1ija s VAL 29 N -2.96 1.56 0.47 -0.36 1.01 -1.16 -3.49 120.40 115.46 1ija s VAL 29 Ca 0.52 -1.16 -0.21 0.00 0.00 0.00 0.00 61.98 61.13 1ija s VAL 29 Cb -0.11 -1.77 -0.08 0.00 0.00 0.00 0.00 36.38 34.42 1ija s VAL 29 CO 0.49 -0.02 1.05 -0.31 0.00 0.00 0.00 175.10 176.31 1ija s TYR 30 N 1.39 3.04 -0.42 5.22 2.02 0.14 -2.29 117.35 126.45 1ija s TYR 30 Ca -0.05 1.59 -0.27 0.00 -0.37 0.00 0.00 57.07 57.97 1ija s TYR 30 Cb -0.18 -3.11 0.02 0.00 -0.40 0.00 0.00 41.96 38.29 1ija s TYR 30 CO -0.07 -0.86 1.00 -1.25 -1.57 0.00 0.00 175.55 172.81 1ija s PRO 31 N -3.01 3.74 0.00 -1.71 0.04 -1.26 -2.57 135.00 130.23 1ija s PRO 31 Ca 0.65 0.51 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1ija s PRO 31 Cb -0.19 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.49 1ija s PRO 31 CO 0.23 -1.15 0.00 0.41 0.04 0.00 0.00 177.00 176.53 1ija n GLY 32 N 4.62 -1.80 3.60 0.56 0.00 -1.26 -4.72 105.19 106.19 1ija n GLY 32 Ca 0.09 -1.13 -0.43 0.00 0.00 0.00 0.00 46.02 44.55 1ija n GLY 32 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ija s PRO 33 N -1.65 3.74 -0.85 1.61 0.04 -1.26 -3.04 135.00 133.60 1ija s PRO 33 Ca 0.00 0.62 -0.10 0.00 0.04 0.00 0.00 61.00 61.56 1ija s PRO 33 Cb 0.00 -3.90 -0.27 0.00 0.04 0.00 0.00 34.50 30.37 1ija s PRO 33 CO 0.00 -1.36 2.03 0.00 0.04 0.00 0.00 177.00 177.72 1ija n ALA 34 N 7.82 0.95 -2.16 8.56 0.00 -1.09 -4.86 120.51 129.74 1ija n ALA 34 Ca 0.12 -0.94 -0.20 0.00 0.00 0.00 0.00 53.44 52.42 1ija n ALA 34 Cb 0.49 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.66 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 2.02 2.47 -0.01 0.00 -4.23 -1.26 -5.02 115.64 109.60 1ija s THR 35 Ca 1.10 -1.21 0.11 0.00 -1.18 0.00 0.00 61.69 60.51 1ija s THR 35 Cb -0.65 -2.67 -0.15 0.00 1.34 0.00 0.00 72.50 70.37 1ija s THR 35 CO 0.44 0.00 1.08 1.55 -0.54 0.00 0.00 174.62 177.14 1ija h PRO 36 N 0.70 0.00 -0.32 3.99 0.13 -1.99 -3.06 132.00 131.46 1ija h PRO 36 Ca -0.38 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.66 1ija h PRO 36 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 1ija h PRO 36 CO 0.51 0.67 -0.19 1.05 -0.23 0.00 0.00 178.00 179.80 1ija h GLU 37 N 0.00 0.59 0.00 0.86 4.11 -1.97 -2.76 114.58 115.41 1ija h GLU 37 Ca -0.10 -0.21 0.00 0.00 0.07 0.00 0.00 59.36 59.12 1ija h GLU 37 Cb 1.74 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.94 1ija h GLU 37 CO 0.09 0.75 -0.02 -0.56 0.07 0.00 0.00 179.01 179.34 1ija h GLN 38 N 0.53 0.00 -0.89 1.06 3.07 -1.95 -3.33 115.11 113.60 1ija h GLN 38 Ca 0.08 0.00 0.26 0.00 0.09 0.00 0.00 58.65 59.08 1ija h GLN 38 Cb 0.63 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.15 1ija h GLN 38 CO 0.04 0.00 1.06 -0.07 0.09 0.00 0.00 178.83 179.95 1ija h LEU 39 N -0.26 0.00 -2.26 0.06 3.38 -1.66 2.27 115.31 116.84 1ija h LEU 39 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1ija h LEU 39 Cb 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1ija h LEU 39 CO 0.00 0.00 -0.05 0.78 0.09 0.00 0.00 178.44 179.26 1ija h ASN 40 N 0.00 0.00 0.34 -0.43 4.21 -1.59 -0.45 115.58 117.66 1ija h ASN 40 Ca 0.42 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.93 1ija h ASN 40 Cb 2.53 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.73 1ija h ASN 40 CO -0.00 0.05 -1.43 -2.11 -1.29 0.00 0.00 177.43 172.64 1ija n ARG 41 N -3.73 0.49 0.00 0.81 1.85 0.76 -5.05 116.66 111.80 1ija n ARG 41 Ca -0.02 -0.06 0.00 0.00 -1.00 0.00 0.00 57.85 56.77 1ija n ARG 41 Cb 0.15 -1.61 0.00 0.00 -1.05 0.00 0.00 32.46 29.95 1ija n ARG 41 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ija n GLY 42 N 1.29 -0.70 3.35 2.89 0.00 -0.18 -5.13 105.19 106.72 1ija n GLY 42 Ca -0.01 0.20 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.26 1.81 0.18 1.61 1.01 -1.23 -4.28 120.40 118.24 1ija s VAL 43 Ca 0.00 -2.19 -0.18 0.00 0.00 0.00 0.00 61.98 59.60 1ija s VAL 43 Cb 0.00 -2.04 0.04 0.00 0.00 0.00 0.00 36.38 34.38 1ija s VAL 43 CO 0.00 -0.55 0.51 -0.94 0.00 0.00 0.00 175.10 174.12 1ija s SER 44 N -3.26 -0.30 1.20 3.32 1.04 -1.19 0.27 113.70 114.79 1ija s SER 44 Ca 0.22 -0.37 -0.13 0.00 0.48 0.00 0.00 55.95 56.15 1ija s SER 44 Cb -0.02 0.56 0.30 0.00 0.10 0.00 0.00 66.02 66.96 1ija s SER 44 CO 0.08 -1.00 0.94 0.49 0.98 0.00 0.00 173.24 174.72 1ija n PHE 45 N -0.32 -1.48 0.65 5.02 3.72 -1.06 -2.16 117.46 121.83 1ija n PHE 45 Ca -0.12 -0.19 0.13 0.00 -0.05 0.00 0.00 57.45 57.21 1ija n PHE 45 Cb 0.63 -1.66 0.35 0.00 -0.94 0.00 0.00 39.48 37.86 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 -5.04 2.50 -3.08 4.37 0.00 0.63 -2.66 120.51 117.23 1ija n ALA 46 Ca 0.02 -0.10 -0.12 0.00 0.00 0.00 0.00 53.44 53.24 1ija n ALA 46 Cb 0.55 -1.38 -0.11 0.00 0.00 0.00 0.00 19.45 18.51 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 -3.11 0.38 0.55 0.00 0.41 -1.26 -3.77 118.70 111.90 1ija s GLU 47 Ca 0.10 -0.18 0.30 0.00 -0.41 0.00 0.00 54.97 54.78 1ija s GLU 47 Cb 0.13 0.16 1.59 0.00 -1.78 0.00 0.00 34.13 34.23 1ija s GLU 47 CO 0.63 -0.08 2.11 1.05 -0.49 0.00 0.00 175.26 178.48 1ija h GLU 48 N 4.85 0.00 -0.08 1.61 -0.00 -1.86 -1.93 114.58 117.17 1ija h GLU 48 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.07 1ija h GLU 48 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.95 1ija h GLU 48 CO 0.40 0.08 0.00 0.27 -0.00 0.00 0.00 179.01 179.77 1ija n ASN 49 N -3.54 1.22 -4.72 3.06 0.23 -1.26 -4.59 115.26 105.66 1ija n ASN 49 Ca -0.02 -1.53 -0.33 0.00 -0.53 0.00 0.00 54.58 52.17 1ija n ASN 49 Cb 0.21 -0.05 0.11 0.00 -2.08 0.00 0.00 39.78 37.97 1ija n ASN 49 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 1ija s GLU 50 N -1.91 1.94 0.33 -3.83 -6.30 -0.73 -5.02 118.70 103.19 1ija s GLU 50 Ca 0.35 1.60 -0.00 0.00 -2.50 0.00 0.00 54.97 54.42 1ija s GLU 50 Cb 0.18 -1.83 -0.01 0.00 0.00 0.00 0.00 34.13 32.48 1ija s GLU 50 CO 0.29 -1.95 0.41 -1.12 0.02 0.00 0.00 175.26 172.91 1ija s SER 51 N -2.41 1.06 -0.04 -1.70 0.01 -1.26 -4.98 113.70 104.38 1ija s SER 51 Ca 0.70 -1.54 0.07 0.00 1.31 0.00 0.00 55.95 56.49 1ija s SER 51 Cb -0.25 0.62 0.27 0.00 0.21 0.00 0.00 66.02 66.87 1ija s SER 51 CO 0.49 -1.22 1.09 0.18 0.41 0.00 0.00 173.24 174.19 1ija n LEU 52 N -0.56 2.08 0.00 2.44 7.99 -1.26 -3.54 117.00 124.15 1ija n LEU 52 Ca 0.03 -1.05 0.00 0.00 -0.01 0.00 0.00 56.01 54.98 1ija n LEU 52 Cb 0.62 -0.37 0.00 0.00 -0.11 0.00 0.00 43.42 43.56 1ija n LEU 52 CO 0.30 0.38 0.02 -0.67 -1.51 0.00 0.00 177.39 175.91 1ija n ASP 53 N 0.27 0.00 -4.66 -1.43 -0.08 -1.26 -5.01 116.55 104.38 1ija n ASP 53 Ca 0.10 -1.00 -0.46 0.00 -1.51 0.00 0.00 54.79 51.92 1ija n ASP 53 Cb 0.41 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.83 1ija n ASP 53 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1ija n ASP 54 N 0.00 3.60 -0.11 1.67 -0.08 -1.23 -4.72 116.55 115.68 1ija n ASP 54 Ca 0.00 0.86 0.20 0.00 -1.51 0.00 0.00 54.79 54.34 1ija n ASP 54 Cb 0.27 -1.43 0.31 0.00 2.34 0.00 0.00 41.12 42.62 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 7.19 0.01 -3.80 -0.67 -0.06 -1.26 -3.57 117.38 115.23 1ija n GLN 55 Ca 0.23 0.89 -0.25 0.00 -2.00 0.00 0.00 57.00 55.87 1ija n GLN 55 Cb 0.34 -2.23 -0.17 0.00 -4.06 0.00 0.00 30.24 24.12 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 -3.30 2.11 0.06 1.69 3.84 -1.26 -3.07 114.94 115.01 1ija s ASN 56 Ca -0.02 -0.34 -0.13 0.00 0.21 0.00 0.00 52.86 52.58 1ija s ASN 56 Cb 0.10 -0.59 -0.06 0.00 -0.55 0.00 0.00 41.25 40.15 1ija s ASN 56 CO 0.34 -0.21 0.44 -0.63 -2.79 0.00 0.00 177.10 174.26 1ija s ILE 57 N 1.87 5.00 -0.18 -5.21 -1.09 -0.75 -4.93 121.20 115.91 1ija s ILE 57 Ca 0.03 0.72 -0.05 0.00 -2.23 0.00 0.00 60.65 59.13 1ija s ILE 57 Cb -0.14 -3.70 0.07 0.00 -1.58 0.00 0.00 42.46 37.10 1ija s ILE 57 CO -0.07 0.40 0.11 -0.94 -1.23 0.00 0.00 174.94 173.22 1ija s SER 58 N -1.46 2.25 0.28 3.58 1.04 -1.26 0.10 113.70 118.24 1ija s SER 58 Ca 0.30 -0.58 0.09 0.00 0.48 0.00 0.00 55.95 56.24 1ija s SER 58 Cb -0.16 -0.16 -0.04 0.00 0.10 0.00 0.00 66.02 65.76 1ija s SER 58 CO 0.17 -0.35 0.07 -0.63 0.98 0.00 0.00 173.24 173.48 1ija s ILE 59 N 2.16 3.56 -0.03 -1.02 1.01 -1.13 0.23 121.20 125.99 1ija s ILE 59 Ca 0.03 -1.75 0.00 0.00 0.00 0.00 0.00 60.65 58.93 1ija s ILE 59 Cb -0.16 -2.99 0.03 0.00 0.01 0.00 0.00 42.46 39.34 1ija s ILE 59 CO -0.10 -0.32 -0.00 0.00 0.00 0.00 0.00 174.94 174.51 1ija s ALA 60 N -2.31 0.31 0.04 9.38 0.00 -0.92 -1.95 121.76 126.31 1ija s ALA 60 Ca 0.33 0.16 -0.04 0.00 0.00 0.00 0.00 51.96 52.41 1ija s ALA 60 Cb -0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 1ija s ALA 60 CO 0.22 -0.06 0.07 0.20 0.00 0.00 0.00 175.76 176.18 1ija s GLY 61 N 0.95 0.21 0.97 0.00 0.00 -1.07 -3.14 107.32 105.25 1ija s GLY 61 Ca -0.10 -0.63 -0.13 0.00 0.00 0.00 0.00 44.72 43.87 1ija s GLY 61 CO -0.02 -0.75 1.12 0.30 0.00 0.00 0.00 173.10 173.75 1ija s HIS 62 N -2.63 2.22 -0.49 1.90 3.76 -1.26 -0.16 115.29 118.63 1ija s HIS 62 Ca -0.05 0.88 0.07 0.00 -0.15 0.00 0.00 55.06 55.81 1ija s HIS 62 Cb -0.01 -3.35 0.19 0.00 1.11 0.00 0.00 32.58 30.51 1ija s HIS 62 CO -0.05 -2.69 0.70 -0.08 -0.85 0.00 0.00 174.74 171.77 1ija s THR 63 N -3.14 -1.00 -0.35 1.30 -1.32 -0.92 0.24 115.64 110.45 1ija s THR 63 Ca 0.65 -0.76 -0.24 0.00 -1.21 0.00 0.00 61.69 60.13 1ija s THR 63 Cb -0.16 -0.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.83 1ija s THR 63 CO 0.55 -0.00 0.81 -0.36 -2.21 0.00 0.00 174.62 173.41 1ija s PHE 64 N 1.10 3.13 0.53 9.09 0.40 -1.26 -4.78 117.98 126.19 1ija s PHE 64 Ca 0.27 0.65 0.22 0.00 -0.60 0.00 0.00 56.93 57.47 1ija s PHE 64 Cb -0.01 -3.41 1.36 0.00 0.51 0.00 0.00 43.02 41.47 1ija s PHE 64 CO -0.06 -0.71 2.05 0.82 0.70 0.00 0.00 175.22 178.03 1ija h ILE 65 N 5.73 0.83 -0.12 0.64 2.04 -1.99 0.21 117.51 124.84 1ija h ILE 65 Ca -0.24 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1ija h ILE 65 Cb 1.09 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1ija h ILE 65 CO 0.92 0.00 0.00 -0.90 0.00 0.00 0.00 178.15 178.17 1ija n ASP 66 N -4.42 1.48 -3.09 1.72 5.75 -1.26 -4.13 116.55 112.60 1ija n ASP 66 Ca 0.05 -2.11 -0.20 0.00 -0.01 0.00 0.00 54.79 52.52 1ija n ASP 66 Cb 0.41 -0.37 -0.04 0.00 -1.03 0.00 0.00 41.12 40.09 1ija n ASP 66 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ija n ARG 67 N 0.04 0.74 0.00 0.11 5.12 0.73 -4.98 116.66 118.43 1ija n ARG 67 Ca 0.05 -2.90 0.00 0.00 -1.93 0.00 0.00 57.85 53.08 1ija n ARG 67 Cb 0.32 -1.28 0.00 0.00 -1.16 0.00 0.00 32.46 30.33 1ija n ARG 67 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 1ija n PRO 68 N 1.40 0.00 -2.99 5.56 -0.02 -1.26 -2.83 135.00 134.86 1ija n PRO 68 Ca 0.18 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.52 1ija n PRO 68 Cb 0.56 -0.89 0.01 0.00 -0.02 0.00 0.00 33.50 33.16 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 0.18 -0.76 0.00 2.55 3.02 -1.26 -4.90 115.26 114.09 1ija n ASN 69 Ca 0.00 -3.22 0.00 0.00 -0.03 0.00 0.00 54.58 51.33 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 0.65 0.00 0.00 3.10 9.36 -1.13 -5.07 117.16 124.07 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 -0.92 2.98 6.02 -1.26 -4.27 117.38 119.93 1ija n GLN 71 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.86 1ija n GLN 71 Cb 0.00 -0.06 0.19 0.00 1.02 0.00 0.00 30.24 31.40 1ija n GLN 71 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1ija n PHE 72 N 0.00 2.26 0.29 1.08 3.01 0.66 -4.42 117.46 120.33 1ija n PHE 72 Ca 0.00 -1.32 0.08 0.00 1.01 0.00 0.00 57.45 57.22 1ija n PHE 72 Cb 0.00 -0.71 0.36 0.00 -0.01 0.00 0.00 39.48 39.12 1ija n PHE 72 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1ija n THR 73 N -0.47 1.17 0.00 4.37 -1.04 -1.18 -3.16 114.28 113.97 1ija n THR 73 Ca 0.41 0.40 0.00 0.00 -2.04 0.00 0.00 64.05 62.82 1ija n THR 73 Cb 1.33 -1.31 0.00 0.00 -1.82 0.00 0.00 70.33 68.53 1ija n THR 73 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1ija n ASN 74 N -1.88 2.99 -0.16 8.00 4.13 -1.26 -4.72 115.26 122.36 1ija n ASN 74 Ca 0.01 0.00 0.18 0.00 1.68 0.00 0.00 54.58 56.45 1ija n ASN 74 Cb 0.12 0.58 0.54 0.00 -1.54 0.00 0.00 39.78 39.49 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 0.32 0.00 3.41 7.12 -1.80 2.07 115.31 126.43 1ija h LEU 75 Ca 0.00 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.03 1ija h LEU 75 Cb 0.03 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.12 1ija h LEU 75 CO 0.00 0.15 0.00 2.29 -0.13 0.00 0.00 178.44 180.75 1ija n LYS 76 N -4.46 0.03 0.07 1.25 2.85 -1.25 -1.96 118.16 114.69 1ija n LYS 76 Ca 0.15 0.20 0.03 0.00 -1.05 0.00 0.00 58.31 57.64 1ija n LYS 76 Cb 0.60 -1.50 -0.04 0.00 -0.65 0.00 0.00 35.03 33.44 1ija n LYS 76 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ija h ALA 77 N 2.60 0.64 -1.59 0.58 0.00 0.31 -3.47 119.26 118.32 1ija h ALA 77 Ca 0.00 -0.60 -0.42 0.00 0.00 0.00 0.00 54.91 53.89 1ija h ALA 77 Cb 0.27 0.15 0.22 0.00 0.00 0.00 0.00 17.79 18.44 1ija h ALA 77 CO 0.00 0.68 -1.12 0.00 0.00 0.00 0.00 179.25 178.81 1ija n ALA 78 N -2.32 -3.88 -2.54 0.00 0.00 -0.83 -4.95 120.51 105.99 1ija n ALA 78 Ca -0.05 -1.29 -0.10 0.00 0.00 0.00 0.00 53.44 51.99 1ija n ALA 78 Cb 0.76 -1.36 -0.08 0.00 0.00 0.00 0.00 19.45 18.77 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 -3.35 1.18 0.26 0.00 1.02 -1.26 -5.05 119.74 112.53 1ija s LYS 79 Ca 0.52 -1.35 -0.29 0.00 0.02 0.00 0.00 55.97 54.86 1ija s LYS 79 Cb -0.09 0.34 -0.14 0.00 -0.52 0.00 0.00 37.83 37.41 1ija s LYS 79 CO 0.61 -0.41 1.04 1.63 -0.92 0.00 0.00 175.35 177.30 1ija n LYS 80 N -0.23 1.28 0.00 1.68 5.02 -1.26 -0.61 118.16 124.05 1ija n LYS 80 Ca -0.04 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 1ija n LYS 80 Cb 0.64 -1.84 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 1.46 3.34 3.55 0.72 0.00 0.73 -4.92 105.19 110.07 1ija n GLY 81 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1ija n GLY 81 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ija s SER 82 N -0.83 4.67 1.24 1.61 0.15 0.22 -4.55 113.70 116.22 1ija s SER 82 Ca 0.00 0.94 -0.17 0.00 0.70 0.00 0.00 55.95 57.42 1ija s SER 82 Cb 0.00 -2.51 0.27 0.00 -1.71 0.00 0.00 66.02 62.07 1ija s SER 82 CO 0.00 -2.73 0.69 0.23 1.20 0.00 0.00 173.24 172.63 1ija n MET 83 N 9.04 -2.97 -3.58 5.44 2.81 -1.26 -3.05 117.12 123.53 1ija n MET 83 Ca 0.33 -0.86 -0.20 0.00 -1.81 0.00 0.00 57.70 55.16 1ija n MET 83 Cb 0.54 -1.93 -0.15 0.00 -0.71 0.00 0.00 33.22 30.97 1ija n MET 83 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1ija s VAL 84 N -2.25 -0.24 -0.55 2.03 1.01 -1.08 -4.77 120.40 114.55 1ija s VAL 84 Ca 0.63 0.05 -0.19 0.00 0.00 0.00 0.00 61.98 62.47 1ija s VAL 84 Cb -0.18 -0.51 0.08 0.00 0.00 0.00 0.00 36.38 35.78 1ija s VAL 84 CO 0.61 -0.10 0.64 -0.31 0.00 0.00 0.00 175.10 175.94 1ija s TYR 85 N 2.26 3.05 -0.39 5.22 2.02 -0.89 -2.65 117.35 125.97 1ija s TYR 85 Ca 0.04 -0.80 -0.17 0.00 -0.37 0.00 0.00 57.07 55.77 1ija s TYR 85 Cb -0.14 -3.75 0.01 0.00 -0.40 0.00 0.00 41.96 37.67 1ija s TYR 85 CO -0.09 -1.14 0.46 0.12 -1.57 0.00 0.00 175.55 173.33 1ija s PHE 86 N 2.54 3.17 0.16 2.71 5.36 -1.12 -2.39 117.98 128.42 1ija s PHE 86 Ca 0.12 -0.16 -0.02 0.00 -0.96 0.00 0.00 56.93 55.91 1ija s PHE 86 Cb -0.22 -2.90 -0.05 0.00 -0.34 0.00 0.00 43.02 39.51 1ija s PHE 86 CO 0.08 -0.63 0.37 0.15 -1.46 0.00 0.00 175.22 173.73 1ija s LYS 87 N 2.23 3.55 -0.36 10.12 1.02 -0.29 -1.61 119.74 134.40 1ija s LYS 87 Ca 0.14 -0.24 0.06 0.00 0.02 0.00 0.00 55.97 55.95 1ija s LYS 87 Cb -0.16 -2.86 0.18 0.00 -0.52 0.00 0.00 37.83 34.46 1ija s LYS 87 CO 0.14 0.45 0.53 0.08 -0.92 0.00 0.00 175.35 175.63 1ija s VAL 88 N -1.74 -0.79 0.00 3.17 1.01 -0.82 -1.83 120.40 119.39 1ija s VAL 88 Ca 0.39 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1ija s VAL 88 Cb -0.12 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 35.80 1ija s VAL 88 CO 0.27 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.81 1ija n GLY 89 N 4.68 1.00 1.90 4.51 0.00 -1.26 -1.78 105.19 114.24 1ija n GLY 89 Ca 0.09 0.42 -0.22 0.00 0.00 0.00 0.00 46.02 46.31 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 10.14 4.79 -3.46 1.61 3.02 -1.26 -4.94 115.26 125.15 1ija n ASN 90 Ca 0.00 -3.77 -0.17 0.00 -0.03 0.00 0.00 54.58 50.61 1ija n ASN 90 Cb 0.00 -0.41 -0.12 0.00 -0.61 0.00 0.00 39.78 38.64 1ija n ASN 90 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1ija s GLU 91 N -3.58 0.23 -0.23 3.52 2.02 -0.73 -5.13 118.70 114.80 1ija s GLU 91 Ca 0.51 0.18 -0.05 0.00 0.02 0.00 0.00 54.97 55.63 1ija s GLU 91 Cb 0.41 -1.05 -0.01 0.00 0.10 0.00 0.00 34.13 33.58 1ija s GLU 91 CO 0.03 -0.71 -0.01 -0.08 0.02 0.00 0.00 175.26 174.51 1ija s THR 92 N 2.35 3.62 0.56 3.63 -1.32 -1.26 -1.94 115.64 121.28 1ija s THR 92 Ca 0.08 -0.44 0.03 0.00 -1.21 0.00 0.00 61.69 60.15 1ija s THR 92 Cb -0.15 -2.68 0.05 0.00 -1.51 0.00 0.00 72.50 68.21 1ija s THR 92 CO -0.16 0.37 0.78 -0.13 -2.21 0.00 0.00 174.62 173.27 1ija s ARG 93 N 1.51 2.40 -0.02 7.08 3.00 -0.63 -4.94 118.95 127.36 1ija s ARG 93 Ca 0.06 -1.05 -0.06 0.00 0.00 0.00 0.00 55.73 54.67 1ija s ARG 93 Cb -0.15 -2.53 0.00 0.00 0.00 0.00 0.00 34.95 32.27 1ija s ARG 93 CO -0.01 -0.78 0.14 0.21 0.00 0.00 0.00 175.30 174.85 1ija s LYS 94 N -4.74 0.39 0.34 3.54 2.36 -1.26 -2.77 119.74 117.59 1ija s LYS 94 Ca 0.59 -0.22 0.06 0.00 -2.55 0.00 0.00 55.97 53.85 1ija s LYS 94 Cb -0.09 0.16 -0.03 0.00 -1.05 0.00 0.00 37.83 36.83 1ija s LYS 94 CO 0.38 -0.08 0.23 0.71 1.55 0.00 0.00 175.35 178.14 1ija s TYR 95 N -0.94 1.70 -0.20 4.03 1.51 -1.09 -4.57 117.35 117.80 1ija s TYR 95 Ca -0.10 -1.54 -0.05 0.00 -1.01 0.00 0.00 57.07 54.37 1ija s TYR 95 Cb -0.06 -0.81 0.07 0.00 -0.11 0.00 0.00 41.96 41.06 1ija s TYR 95 CO 0.01 -0.70 0.12 0.21 -1.11 0.00 0.00 175.55 174.07 1ija s LYS 96 N -3.59 0.11 -0.16 -0.62 2.20 -1.11 -2.62 119.74 113.94 1ija s LYS 96 Ca 0.36 -0.15 -0.37 0.00 -0.36 0.00 0.00 55.97 55.46 1ija s LYS 96 Cb 0.03 -1.61 -0.14 0.00 -1.51 0.00 0.00 37.83 34.61 1ija s LYS 96 CO 0.23 -0.75 1.80 -1.33 -0.36 0.00 0.00 175.35 174.94 1ija n MET 97 N 5.28 1.71 -1.08 4.03 2.81 -1.17 -3.12 117.12 125.58 1ija n MET 97 Ca -0.07 0.63 -0.03 0.00 -1.81 0.00 0.00 57.70 56.42 1ija n MET 97 Cb 0.48 -2.39 -0.03 0.00 -0.71 0.00 0.00 33.22 30.56 1ija n MET 97 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1ija n THR 98 N 4.79 0.00 -3.51 2.03 5.66 -1.20 0.26 114.28 122.31 1ija n THR 98 Ca 0.24 -0.30 -0.00 0.00 -3.05 0.00 0.00 64.05 60.94 1ija n THR 98 Cb 0.22 0.61 -0.04 0.00 -1.55 0.00 0.00 70.33 69.56 1ija n THR 98 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1ija s SER 99 N -1.21 -0.76 0.23 1.09 0.15 -0.97 -4.98 113.70 107.25 1ija s SER 99 Ca 0.10 1.06 0.03 0.00 0.70 0.00 0.00 55.95 57.84 1ija s SER 99 Cb 0.12 1.79 -0.05 0.00 -1.71 0.00 0.00 66.02 66.16 1ija s SER 99 CO -0.05 -0.15 0.02 -0.63 1.20 0.00 0.00 173.24 173.62 1ija s ILE 100 N 2.42 0.90 0.00 6.45 1.01 -1.26 0.53 121.20 131.25 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 -2.37 0.00 0.00 0.01 0.00 0.00 42.46 40.03 1ija s ILE 100 CO -0.18 -0.29 0.00 -1.14 0.00 0.00 0.00 174.94 173.34 1ija n ARG 101 N -0.41 0.00 -1.26 2.79 0.63 -0.97 -4.89 116.66 112.55 1ija n ARG 101 Ca -0.04 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.87 1ija n ARG 101 Cb 0.64 0.00 -0.01 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 -1.54 -0.67 0.00 6.15 5.68 -0.07 -4.69 116.55 121.41 1ija n ASP 102 Ca 0.00 0.11 0.00 0.00 -0.50 0.00 0.00 54.79 54.40 1ija n ASP 102 Cb 0.00 -0.99 0.00 0.00 -1.14 0.00 0.00 41.12 38.99 1ija n ASP 102 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 1ija n VAL 103 N -1.34 0.00 -1.39 2.12 3.14 -1.26 -4.82 118.33 114.77 1ija n VAL 103 Ca -0.02 0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 60.98 1ija n VAL 103 Cb 0.13 0.00 0.05 0.00 -1.06 0.00 0.00 33.84 32.95 1ija n VAL 103 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1ija n LYS 104 N 0.00 0.42 -2.06 1.45 5.02 -1.26 -4.82 118.16 116.91 1ija n LYS 104 Ca 0.00 0.17 -0.43 0.00 -2.02 0.00 0.00 58.31 56.04 1ija n LYS 104 Cb 0.00 -1.69 -0.03 0.00 -0.02 0.00 0.00 35.03 33.29 1ija n LYS 104 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1ija s PRO 105 N -2.23 4.06 -0.11 1.97 0.04 -1.26 -4.93 135.00 132.55 1ija s PRO 105 Ca 0.67 2.00 -0.04 0.00 0.04 0.00 0.00 61.00 63.67 1ija s PRO 105 Cb -0.41 -3.99 -0.03 0.00 0.04 0.00 0.00 34.50 30.10 1ija s PRO 105 CO 0.56 -0.98 0.09 1.79 0.04 0.00 0.00 177.00 178.50 1ija h THR 106 N 5.76 0.23 -3.86 1.26 1.35 -1.95 -3.48 112.91 112.21 1ija h THR 106 Ca -0.37 -1.17 -0.14 0.00 -0.55 0.00 0.00 66.41 64.18 1ija h THR 106 Cb 1.17 0.44 -0.18 0.00 -1.73 0.00 0.00 68.15 67.84 1ija h THR 106 CO 0.97 0.08 -0.58 -0.62 -0.25 0.00 0.00 175.52 175.12 1ija s ASP 107 N -5.65 0.21 0.00 5.36 -1.08 -1.26 -5.00 116.67 109.25 1ija s ASP 107 Ca -0.03 -0.55 0.00 0.00 -0.52 0.00 0.00 52.55 51.45 1ija s ASP 107 Cb -0.00 0.20 0.00 0.00 -1.46 0.00 0.00 42.92 41.65 1ija s ASP 107 CO 0.10 -0.46 0.88 1.33 0.52 0.00 0.00 175.17 177.53 1ija n VAL 108 N 0.93 0.88 -0.10 1.11 0.24 -1.26 -3.97 118.33 116.16 1ija n VAL 108 Ca -0.20 -0.19 0.02 0.00 -2.04 0.00 0.00 64.34 61.93 1ija n VAL 108 Cb 0.58 -1.14 0.22 0.00 -1.47 0.00 0.00 33.84 32.02 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 1.55 2.45 0.27 7.63 0.00 -1.26 -4.20 105.19 111.63 1ija n GLY 109 Ca 0.00 -0.54 -0.11 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 2.12 1.27 -1.74 1.61 -1.51 -2.02 -3.33 116.25 112.65 1ija h VAL 110 Ca 0.03 -1.21 -0.47 0.00 -1.23 0.00 0.00 66.70 63.82 1ija h VAL 110 Cb 1.42 1.05 -0.40 0.00 -2.13 0.00 0.00 31.29 31.22 1ija h VAL 110 CO 0.32 0.42 -1.09 0.18 -1.23 0.00 0.00 177.57 176.17 1ija n LEU 111 N -4.24 1.80 -4.52 4.19 4.77 -1.26 -4.75 117.00 112.99 1ija n LEU 111 Ca 0.00 -4.77 -0.43 0.00 -0.03 0.00 0.00 56.01 50.78 1ija n LEU 111 Cb 0.38 0.38 -0.01 0.00 -2.33 0.00 0.00 43.42 41.83 1ija n LEU 111 CO 0.44 2.10 1.54 1.51 -1.33 0.00 0.00 177.39 181.65 1ija s ASP 112 N -2.84 6.80 -0.00 -1.43 1.47 -1.25 -4.61 116.67 114.80 1ija s ASP 112 Ca 0.38 -2.32 0.19 0.00 1.18 0.00 0.00 52.55 51.98 1ija s ASP 112 Cb 0.37 -2.50 0.56 0.00 -0.34 0.00 0.00 42.92 41.02 1ija s ASP 112 CO -0.06 -1.10 1.47 -1.84 0.68 0.00 0.00 175.17 174.31 1ija n GLU 113 N 7.40 2.78 0.00 2.11 0.28 -1.26 -3.86 120.64 128.09 1ija n GLU 113 Ca 0.38 -2.51 0.00 0.00 -0.16 0.00 0.00 57.16 54.87 1ija n GLU 113 Cb 0.47 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.84 1ija n GLU 113 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1ija n GLN 114 N 1.34 0.40 0.00 3.44 3.00 -1.26 -4.72 117.38 119.58 1ija n GLN 114 Ca 0.21 -0.14 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 1ija n GLN 114 Cb 0.57 -0.56 0.00 0.00 0.00 0.00 0.00 30.24 30.25 1ija n GLN 114 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 1ija n LYS 115 N -0.10 0.00 0.00 -1.09 2.85 -1.25 -5.08 118.16 113.49 1ija n LYS 115 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1ija n LYS 115 Cb 0.12 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.50 1ija n LYS 115 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ija n GLY 116 N 0.00 1.64 0.00 2.58 0.00 -1.26 -4.72 105.19 103.43 1ija n GLY 116 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1ija n GLY 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ija n LYS 117 N 0.00 0.00 -4.58 1.61 4.76 -1.26 -5.16 118.16 113.53 1ija n LYS 117 Ca 0.00 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.16 1ija n LYS 117 Cb 0.00 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.09 1ija n LYS 117 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1ija s ASP 118 N 1.20 3.98 0.02 4.39 1.01 -1.26 -5.05 116.67 120.95 1ija s ASP 118 Ca 0.00 -1.37 -0.29 0.00 0.71 0.00 0.00 52.55 51.60 1ija s ASP 118 Cb 0.00 -0.29 -0.15 0.00 1.01 0.00 0.00 42.92 43.50 1ija s ASP 118 CO 0.00 -0.52 0.74 0.29 0.21 0.00 0.00 175.17 175.90 1ija n LYS 119 N -1.04 0.00 -3.94 8.23 5.02 -1.26 -4.71 118.16 120.45 1ija n LYS 119 Ca -0.06 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.14 1ija n LYS 119 Cb 0.67 -1.07 -0.08 0.00 -0.02 0.00 0.00 35.03 34.53 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 -0.10 0.93 -0.23 1.97 0.00 -1.17 -1.75 119.66 119.31 1ija s GLN 120 Ca 0.65 -1.10 -0.05 0.00 -0.00 0.00 0.00 55.36 54.86 1ija s GLN 120 Cb -0.91 0.33 -0.02 0.00 0.00 0.00 0.00 33.01 32.41 1ija s GLN 120 CO 0.42 -0.30 0.01 -0.51 0.00 0.00 0.00 175.29 174.91 1ija s LEU 121 N -2.92 3.16 -0.92 2.60 1.43 -1.12 -1.81 118.68 119.09 1ija s LEU 121 Ca 0.11 -0.30 -0.13 0.00 -1.03 0.00 0.00 54.13 52.78 1ija s LEU 121 Cb 0.05 -1.82 0.22 0.00 0.03 0.00 0.00 46.19 44.67 1ija s LEU 121 CO -0.06 -0.02 0.92 -0.89 0.23 0.00 0.00 176.35 176.53 1ija s THR 122 N 1.49 5.58 0.32 5.49 2.01 0.29 -2.87 115.64 127.94 1ija s THR 122 Ca 0.06 -2.60 -0.28 0.00 0.31 0.00 0.00 61.69 59.17 1ija s THR 122 Cb -0.15 -4.56 -0.10 0.00 0.01 0.00 0.00 72.50 67.71 1ija s THR 122 CO 0.00 -1.15 1.16 -0.76 -0.69 0.00 0.00 174.62 173.18 1ija s LEU 123 N 0.18 4.45 -0.02 4.42 1.43 -1.02 -2.82 118.68 125.30 1ija s LEU 123 Ca 0.24 2.38 0.00 0.00 -1.03 0.00 0.00 54.13 55.72 1ija s LEU 123 Cb -0.09 -3.71 0.02 0.00 0.03 0.00 0.00 46.19 42.44 1ija s LEU 123 CO -0.08 -0.33 0.00 -0.63 0.23 0.00 0.00 176.35 175.54 1ija s ILE 124 N -1.22 0.14 0.41 -0.59 1.01 -0.82 -3.01 121.20 117.12 1ija s ILE 124 Ca 0.48 0.08 0.03 0.00 0.00 0.00 0.00 60.65 61.23 1ija s ILE 124 Cb -0.33 -0.23 -0.00 0.00 0.01 0.00 0.00 42.46 41.91 1ija s ILE 124 CO 0.43 0.12 0.60 0.42 0.00 0.00 0.00 174.94 176.51 1ija s THR 125 N 0.86 3.99 -0.01 2.92 -4.23 -1.17 -2.59 115.64 115.41 1ija s THR 125 Ca -0.08 -0.69 -0.09 0.00 -1.18 0.00 0.00 61.69 59.65 1ija s THR 125 Cb -0.12 -3.44 0.01 0.00 1.34 0.00 0.00 72.50 70.29 1ija s THR 125 CO -0.02 -0.25 0.18 0.00 -0.54 0.00 0.00 174.62 173.99 1ija n ASP 127 N 1.55 0.00 -3.00 0.00 5.68 -1.26 -2.17 116.55 117.36 1ija n ASP 127 Ca -0.22 0.00 -0.06 0.00 -0.50 0.00 0.00 54.79 54.01 1ija n ASP 127 Cb 0.56 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.54 1ija n ASP 127 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1ija n ASP 128 N 0.00 -7.71 -4.70 -1.12 8.00 -1.26 -3.94 116.55 105.82 1ija n ASP 128 Ca 0.00 0.19 -0.42 0.00 0.71 0.00 0.00 54.79 55.27 1ija n ASP 128 Cb 0.00 -5.12 -0.03 0.00 -0.02 0.00 0.00 41.12 35.95 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 -2.76 2.53 -0.29 1.24 6.14 -1.26 -2.38 117.35 120.56 1ija s TYR 129 Ca 0.13 0.34 -0.24 0.00 0.64 0.00 0.00 57.07 57.94 1ija s TYR 129 Cb -0.03 -3.99 0.00 0.00 0.42 0.00 0.00 41.96 38.36 1ija s TYR 129 CO 0.77 -3.92 0.83 1.21 0.64 0.00 0.00 175.55 175.08 1ija s ASN 130 N 2.16 6.73 0.00 4.32 3.84 -0.56 -4.75 114.94 126.69 1ija s ASN 130 Ca 0.74 0.79 0.25 0.00 0.21 0.00 0.00 52.86 54.85 1ija s ASN 130 Cb -0.42 -2.43 1.19 0.00 -0.55 0.00 0.00 41.25 39.04 1ija s ASN 130 CO 0.33 -0.62 1.80 -1.84 -2.79 0.00 0.00 177.10 173.98 1ija n GLU 131 N 6.24 1.40 -0.06 0.43 0.28 -1.26 -2.33 120.64 125.33 1ija n GLU 131 Ca 0.05 -0.58 -0.06 0.00 -0.16 0.00 0.00 57.16 56.40 1ija n GLU 131 Cb 0.48 -1.43 -0.05 0.00 1.43 0.00 0.00 31.44 31.87 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 1.31 0.00 0.00 3.44 1.57 -1.92 -3.37 116.57 117.59 1ija h LYS 132 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ija h LYS 132 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1ija h LYS 132 CO 0.00 0.41 -0.79 0.25 -0.57 0.00 0.00 179.45 178.76 1ija n THR 133 N -4.70 0.02 -2.58 -0.16 -2.24 -1.26 -4.96 114.28 98.41 1ija n THR 133 Ca -0.05 -0.04 -0.03 0.00 -2.27 0.00 0.00 64.05 61.66 1ija n THR 133 Cb 0.22 0.54 0.01 0.00 -2.10 0.00 0.00 70.33 69.00 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 1.48 0.68 3.19 3.38 0.00 -0.99 -5.06 105.19 107.88 1ija n GLY 134 Ca 0.04 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.05 0.13 -0.15 1.61 1.01 -1.06 -5.01 120.40 113.87 1ija s VAL 135 Ca 0.07 -1.04 -0.29 0.00 0.00 0.00 0.00 61.98 60.72 1ija s VAL 135 Cb -0.03 -1.12 -0.06 0.00 0.00 0.00 0.00 36.38 35.17 1ija s VAL 135 CO 0.10 -0.57 2.08 0.26 0.00 0.00 0.00 175.10 176.97 1ija s TRP 136 N -3.20 1.30 0.00 5.22 0.52 -1.26 -1.50 118.94 120.03 1ija s TRP 136 Ca -0.00 0.27 0.00 0.00 0.02 0.00 0.00 56.10 56.39 1ija s TRP 136 Cb 0.02 -4.03 0.00 0.00 -1.15 0.00 0.00 33.47 28.31 1ija s TRP 136 CO -0.07 -4.35 0.20 -1.91 0.02 0.00 0.00 176.95 170.84 1ija n GLU 137 N 8.32 0.00 -3.93 4.98 2.13 -1.00 -4.52 120.64 126.61 1ija n GLU 137 Ca 0.26 0.20 -0.30 0.00 0.66 0.00 0.00 57.16 57.98 1ija n GLU 137 Cb 0.44 -0.60 -0.04 0.00 0.27 0.00 0.00 31.44 31.51 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 -0.50 3.41 -0.26 5.31 2.20 -1.25 -4.97 119.74 123.67 1ija s LYS 138 Ca 0.00 -0.49 -0.27 0.00 -0.36 0.00 0.00 55.97 54.85 1ija s LYS 138 Cb 0.00 -3.01 0.16 0.00 -1.51 0.00 0.00 37.83 33.47 1ija s LYS 138 CO 0.00 0.59 1.21 -0.98 -0.36 0.00 0.00 175.35 175.81 1ija s ARG 139 N -2.64 0.30 0.47 4.03 1.70 -1.26 -4.10 118.95 117.45 1ija s ARG 139 Ca 0.35 0.21 0.07 0.00 -0.47 0.00 0.00 55.73 55.89 1ija s ARG 139 Cb -0.13 0.15 0.01 0.00 -0.57 0.00 0.00 34.95 34.41 1ija s ARG 139 CO 0.28 -0.07 0.45 0.15 -1.08 0.00 0.00 175.30 175.03 1ija s LYS 140 N -0.43 2.45 -0.09 3.89 1.02 -1.26 -4.93 119.74 120.39 1ija s LYS 140 Ca 0.04 -1.66 -0.05 0.00 0.02 0.00 0.00 55.97 54.33 1ija s LYS 140 Cb -0.03 -2.36 0.04 0.00 -0.52 0.00 0.00 37.83 34.96 1ija s LYS 140 CO -0.07 -0.39 0.22 0.42 -0.92 0.00 0.00 175.35 174.61 1ija s ILE 141 N -2.57 -0.04 0.30 2.17 1.01 -1.26 -3.05 121.20 117.76 1ija s ILE 141 Ca 0.47 0.15 0.04 0.00 0.00 0.00 0.00 60.65 61.31 1ija s ILE 141 Cb -0.04 -0.34 -0.06 0.00 0.01 0.00 0.00 42.46 42.03 1ija s ILE 141 CO 0.28 0.06 0.03 -0.36 0.00 0.00 0.00 174.94 174.95 1ija s PHE 142 N 1.21 1.89 -0.04 3.97 0.40 -1.16 -0.89 117.98 123.35 1ija s PHE 142 Ca -0.09 -0.91 -0.14 0.00 -0.60 0.00 0.00 56.93 55.18 1ija s PHE 142 Cb -0.10 -1.19 0.03 0.00 0.51 0.00 0.00 43.02 42.26 1ija s PHE 142 CO -0.08 0.04 0.32 0.08 0.70 0.00 0.00 175.22 176.28 1ija s VAL 143 N -3.28 0.04 0.31 -0.44 1.01 0.19 -2.44 120.40 115.79 1ija s VAL 143 Ca 0.34 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.99 1ija s VAL 143 Cb 0.07 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.84 1ija s VAL 143 CO 0.14 -0.20 0.19 0.00 0.00 0.00 0.00 175.10 175.22 1ija s ALA 144 N -0.98 1.90 -0.09 5.51 0.00 -1.14 -2.29 121.76 124.66 1ija s ALA 144 Ca -0.10 -1.80 -0.08 0.00 0.00 0.00 0.00 51.96 49.98 1ija s ALA 144 Cb -0.05 1.25 0.03 0.00 0.00 0.00 0.00 23.12 24.35 1ija s ALA 144 CO 0.03 -0.55 0.24 -0.08 0.00 0.00 0.00 175.76 175.41 1ija s THR 145 N -3.61 -0.00 -0.16 0.00 -1.32 -1.18 -2.81 115.64 106.56 1ija s THR 145 Ca 0.37 0.01 -0.29 0.00 -1.21 0.00 0.00 61.69 60.57 1ija s THR 145 Cb 0.04 -0.35 -0.06 0.00 -1.51 0.00 0.00 72.50 70.63 1ija s THR 145 CO 0.19 0.01 2.13 -0.70 -2.21 0.00 0.00 174.62 174.04 1ija s GLU 146 N 0.23 3.39 0.49 7.08 -6.30 -0.72 -2.76 118.70 120.10 1ija s GLU 146 Ca -0.01 2.13 0.00 0.00 -2.50 0.00 0.00 54.97 54.59 1ija s GLU 146 Cb -0.02 -4.31 0.01 0.00 0.00 0.00 0.00 34.13 29.80 1ija s GLU 146 CO -0.00 -1.81 0.71 0.14 0.02 0.00 0.00 175.26 174.31 1ija s VAL 147 N 7.29 3.60 0.00 3.70 -7.23 -1.26 -4.92 120.40 121.58 1ija s VAL 147 Ca 0.96 -0.52 0.00 0.00 -1.81 0.00 0.00 61.98 60.61 1ija s VAL 147 Cb -0.35 -3.34 0.00 0.00 0.56 0.00 0.00 36.38 33.25 1ija s VAL 147 CO 0.36 -0.24 0.00 2.29 -0.31 0.00 0.00 175.10 177.20